NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
617758 | 5msl | 34082 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLN -1 H1 GLN -1 -4.659 12.972 -0.910 2 H2 GLN -1 H2 GLN -1 -5.653 11.746 -1.520 3 H3 GLN -1 H3 GLN -1 -6.313 12.956 -0.546 4 HA GLN -1 HA GLN -1 -6.831 13.255 -2.898 5 HB2 GLN -1 HB2 GLN -1 -5.033 15.351 -1.667 6 HB3 GLN -1 HB3 GLN -1 -6.108 15.624 -3.031 7 HG2 GLN -1 HG2 GLN -1 -8.029 15.071 -1.602 8 HG3 GLN -1 HG3 GLN -1 -6.931 14.859 -0.238 9 HE21 GLN -1 HE21 GLN -1 -7.903 16.497 0.941 10 HE22 GLN -1 HE22 GLN -1 -7.708 18.167 0.541 11 H SER 0 H SER 0 -6.194 13.004 -4.919 12 HA SER 0 HA SER 0 -4.923 12.686 -6.751 13 HB2 SER 0 HB2 SER 0 -2.848 14.265 -5.221 14 HB3 SER 0 HB3 SER 0 -2.777 13.889 -6.944 15 HG SER 0 HG SER 0 -4.884 14.982 -7.063 16 H MET 1 H MET 1 -5.084 10.593 -5.040 17 HA MET 1 HA MET 1 -2.463 9.321 -5.481 18 HB2 MET 1 HB2 MET 1 -4.520 8.596 -3.386 19 HB3 MET 1 HB3 MET 1 -3.026 7.729 -3.685 20 HG2 MET 1 HG2 MET 1 -1.754 9.738 -3.064 21 HG3 MET 1 HG3 MET 1 -3.269 10.561 -2.697 22 HE1 MET 1 HE1 MET 1 -4.601 8.552 0.371 23 HE2 MET 1 HE2 MET 1 -5.001 8.271 -1.324 24 HE3 MET 1 HE3 MET 1 -4.864 9.920 -0.711 25 H ALA 2 H ALA 2 -2.512 7.208 -6.313 26 HA ALA 2 HA ALA 2 -5.050 6.517 -7.627 27 HB1 ALA 2 HB1 ALA 2 -2.264 6.103 -8.696 28 HB2 ALA 2 HB2 ALA 2 -3.390 7.355 -9.221 29 HB3 ALA 2 HB3 ALA 2 -3.765 5.656 -9.507 30 H LEU 3 H LEU 3 -1.953 5.146 -6.710 31 HA LEU 3 HA LEU 3 -3.361 2.705 -5.837 32 HB2 LEU 3 HB2 LEU 3 -0.606 3.024 -7.040 33 HB3 LEU 3 HB3 LEU 3 -1.086 1.583 -6.170 34 HG LEU 3 HG LEU 3 -2.944 1.306 -7.860 35 HD11 LEU 3 HD11 LEU 3 -2.993 3.598 -8.691 36 HD12 LEU 3 HD12 LEU 3 -2.711 2.443 -9.994 37 HD13 LEU 3 HD13 LEU 3 -1.371 3.393 -9.352 38 HD21 LEU 3 HD21 LEU 3 -0.080 1.223 -8.786 39 HD22 LEU 3 HD22 LEU 3 -1.423 0.420 -9.598 40 HD23 LEU 3 HD23 LEU 3 -0.968 -0.057 -7.962 41 H HIS 4 H HIS 4 -2.507 1.706 -3.915 42 HA HIS 4 HA HIS 4 -1.295 3.689 -2.133 43 HB2 HIS 4 HB2 HIS 4 -2.633 1.058 -1.559 44 HB3 HIS 4 HB3 HIS 4 -1.847 2.019 -0.333 45 HD1 HIS 4 HD1 HIS 4 -4.728 1.426 0.102 46 HD2 HIS 4 HD2 HIS 4 -3.449 4.732 -2.068 47 HE1 HIS 4 HE1 HIS 4 -6.620 3.075 0.208 48 HE2 HIS 4 HE2 HIS 4 -5.925 4.931 -1.347 49 H TYR 5 H TYR 5 0.733 3.591 -1.668 50 HA TYR 5 HA TYR 5 2.303 1.307 -2.576 51 HB2 TYR 5 HB2 TYR 5 2.920 4.184 -2.007 52 HB3 TYR 5 HB3 TYR 5 4.220 2.992 -1.936 53 HD1 TYR 5 HD1 TYR 5 1.523 2.539 -4.379 54 HD2 TYR 5 HD2 TYR 5 5.398 4.150 -3.700 55 HE1 TYR 5 HE1 TYR 5 1.862 2.742 -6.805 56 HE2 TYR 5 HE2 TYR 5 5.753 4.344 -6.112 57 HH TYR 5 HH TYR 5 3.307 4.176 -8.360 58 H TYR 6 H TYR 6 2.985 -0.147 -1.183 59 HA TYR 6 HA TYR 6 3.655 0.736 1.541 60 HB2 TYR 6 HB2 TYR 6 2.456 -1.948 0.811 61 HB3 TYR 6 HB3 TYR 6 2.874 -1.391 2.429 62 HD1 TYR 6 HD1 TYR 6 1.574 0.501 3.443 63 HD2 TYR 6 HD2 TYR 6 0.380 -1.386 -0.176 64 HE1 TYR 6 HE1 TYR 6 -0.684 1.443 3.699 65 HE2 TYR 6 HE2 TYR 6 -1.876 -0.446 0.069 66 HH TYR 6 HH TYR 6 -2.624 1.989 2.368 67 H CYS 7 H CYS 7 5.649 0.033 2.262 68 HA CYS 7 HA CYS 7 7.344 -0.839 0.115 69 HB2 CYS 7 HB2 CYS 7 7.996 0.931 1.826 70 HB3 CYS 7 HB3 CYS 7 8.251 -0.395 2.928 71 H ARG 8 H ARG 8 8.259 -2.674 -0.250 72 HA ARG 8 HA ARG 8 7.642 -4.975 1.272 73 HB2 ARG 8 HB2 ARG 8 9.196 -6.148 -0.181 74 HB3 ARG 8 HB3 ARG 8 8.188 -5.076 -1.135 75 HG2 ARG 8 HG2 ARG 8 10.185 -4.626 -2.098 76 HG3 ARG 8 HG3 ARG 8 10.257 -3.446 -0.782 77 HD2 ARG 8 HD2 ARG 8 11.489 -5.128 0.576 78 HD3 ARG 8 HD3 ARG 8 11.516 -6.188 -0.832 79 HE ARG 8 HE ARG 8 12.569 -3.681 -1.524 80 HH11 ARG 8 HH11 ARG 8 13.367 -6.496 0.383 81 HH12 ARG 8 HH12 ARG 8 15.080 -6.316 0.177 82 HH21 ARG 8 HH21 ARG 8 14.840 -3.429 -1.783 83 HH22 ARG 8 HH22 ARG 8 15.917 -4.577 -1.048 84 H HIS 9 H HIS 9 8.408 -5.484 3.107 85 HA HIS 9 HA HIS 9 9.960 -6.259 4.616 86 HB2 HIS 9 HB2 HIS 9 11.684 -6.348 2.839 87 HB3 HIS 9 HB3 HIS 9 12.037 -4.648 3.116 88 HD1 HIS 9 HD1 HIS 9 14.118 -4.398 4.420 89 HD2 HIS 9 HD2 HIS 9 11.976 -7.762 5.580 90 HE1 HIS 9 HE1 HIS 9 15.459 -5.444 6.271 91 HE2 HIS 9 HE2 HIS 9 14.091 -7.419 7.028 92 H CYS 10 H CYS 10 9.068 -3.115 3.961 93 HA CYS 10 HA CYS 10 9.917 -2.304 6.667 94 HB2 CYS 10 HB2 CYS 10 9.165 -0.511 4.370 95 HB3 CYS 10 HB3 CYS 10 9.677 0.022 5.957 96 H GLY 11 H GLY 11 7.281 -2.345 4.333 97 HA2 GLY 11 HA2 GLY 11 5.000 -2.439 4.748 98 HA3 GLY 11 HA3 GLY 11 5.337 -2.242 6.476 99 H VAL 12 H VAL 12 7.106 0.110 5.107 100 HA VAL 12 HA VAL 12 5.443 2.124 6.031 101 HB VAL 12 HB VAL 12 7.691 2.677 6.136 102 HG11 VAL 12 HG11 VAL 12 8.013 2.435 3.170 103 HG12 VAL 12 HG12 VAL 12 8.329 1.091 4.259 104 HG13 VAL 12 HG13 VAL 12 9.267 2.572 4.402 105 HG21 VAL 12 HG21 VAL 12 6.649 4.192 3.777 106 HG22 VAL 12 HG22 VAL 12 7.901 4.721 4.902 107 HG23 VAL 12 HG23 VAL 12 6.238 4.531 5.455 108 H LYS 13 H LYS 13 4.010 3.371 5.224 109 HA LYS 13 HA LYS 13 2.892 2.761 2.655 110 HB2 LYS 13 HB2 LYS 13 2.177 4.938 4.633 111 HB3 LYS 13 HB3 LYS 13 1.214 4.467 3.244 112 HG2 LYS 13 HG2 LYS 13 0.180 3.474 5.085 113 HG3 LYS 13 HG3 LYS 13 1.072 2.167 4.321 114 HD2 LYS 13 HD2 LYS 13 2.844 2.398 5.976 115 HD3 LYS 13 HD3 LYS 13 1.998 3.757 6.715 116 HE2 LYS 13 HE2 LYS 13 1.540 1.866 8.058 117 HE3 LYS 13 HE3 LYS 13 0.076 2.184 7.133 118 HZ1 LYS 13 HZ1 LYS 13 0.602 0.394 5.660 119 HZ2 LYS 13 HZ2 LYS 13 0.710 -0.189 7.244 120 HZ3 LYS 13 HZ3 LYS 13 2.118 0.165 6.379 121 H VAL 14 H VAL 14 4.189 3.382 1.035 122 HA VAL 14 HA VAL 14 5.886 5.671 1.230 123 HB VAL 14 HB VAL 14 5.499 4.495 -1.452 124 HG11 VAL 14 HG11 VAL 14 7.949 4.927 0.242 125 HG12 VAL 14 HG12 VAL 14 7.285 6.091 -0.911 126 HG13 VAL 14 HG13 VAL 14 7.918 4.545 -1.480 127 HG21 VAL 14 HG21 VAL 14 6.528 2.824 0.837 128 HG22 VAL 14 HG22 VAL 14 6.865 2.482 -0.862 129 HG23 VAL 14 HG23 VAL 14 5.206 2.442 -0.272 130 H GLY 15 H GLY 15 2.847 4.952 -0.392 131 HA2 GLY 15 HA2 GLY 15 2.950 7.588 -1.703 132 HA3 GLY 15 HA3 GLY 15 1.937 6.248 -2.211 133 H SER 16 H SER 16 0.745 5.526 0.151 134 HA SER 16 HA SER 16 -1.108 7.726 0.459 135 HB2 SER 16 HB2 SER 16 -2.299 5.862 1.874 136 HB3 SER 16 HB3 SER 16 -2.271 5.753 0.114 137 HG SER 16 HG SER 16 -1.192 4.089 1.959 138 H LEU 17 H LEU 17 0.253 9.121 1.659 139 HA LEU 17 HA LEU 17 0.947 8.239 4.363 140 HB2 LEU 17 HB2 LEU 17 2.533 10.004 4.459 141 HB3 LEU 17 HB3 LEU 17 2.747 9.220 2.908 142 HG LEU 17 HG LEU 17 1.126 11.742 3.213 143 HD11 LEU 17 HD11 LEU 17 4.054 11.492 2.572 144 HD12 LEU 17 HD12 LEU 17 3.372 12.151 4.058 145 HD13 LEU 17 HD13 LEU 17 3.099 12.973 2.523 146 HD21 LEU 17 HD21 LEU 17 0.718 10.609 1.145 147 HD22 LEU 17 HD22 LEU 17 2.443 10.369 0.876 148 HD23 LEU 17 HD23 LEU 17 1.757 11.992 0.812 149 H GLU 18 H GLU 18 -1.044 10.250 2.513 150 HA GLU 18 HA GLU 18 -1.874 12.110 4.409 151 HB2 GLU 18 HB2 GLU 18 -3.404 10.896 2.113 152 HB3 GLU 18 HB3 GLU 18 -3.960 12.278 3.045 153 HG2 GLU 18 HG2 GLU 18 -2.020 13.559 2.321 154 HG3 GLU 18 HG3 GLU 18 -1.440 12.169 1.404 155 H SER 19 H SER 19 -2.725 8.818 3.847 156 HA SER 19 HA SER 19 -3.955 8.683 6.466 157 HB2 SER 19 HB2 SER 19 -5.356 7.530 4.064 158 HB3 SER 19 HB3 SER 19 -5.940 7.551 5.721 159 HG SER 19 HG SER 19 -5.476 10.045 5.167 160 H SER 20 H SER 20 -2.801 7.191 7.403 161 HA SER 20 HA SER 20 -2.002 4.814 5.871 162 HB2 SER 20 HB2 SER 20 -0.458 6.116 8.121 163 HB3 SER 20 HB3 SER 20 0.055 4.726 7.166 164 HG SER 20 HG SER 20 -0.249 6.279 5.305 165 H MET 21 H MET 21 -3.481 6.065 8.733 166 HA MET 21 HA MET 21 -4.396 3.369 9.350 167 HB2 MET 21 HB2 MET 21 -3.930 3.581 11.730 168 HB3 MET 21 HB3 MET 21 -2.436 3.620 10.809 169 HG2 MET 21 HG2 MET 21 -2.368 6.050 11.040 170 HG3 MET 21 HG3 MET 21 -3.867 6.004 11.965 171 HE1 MET 21 HE1 MET 21 -1.318 6.911 14.744 172 HE2 MET 21 HE2 MET 21 -2.881 7.284 14.018 173 HE3 MET 21 HE3 MET 21 -1.400 7.505 13.085 174 H VAL 22 H VAL 22 -5.262 5.974 8.311 175 HA VAL 22 HA VAL 22 -7.550 6.480 10.057 176 HB VAL 22 HB VAL 22 -7.280 8.914 9.692 177 HG11 VAL 22 HG11 VAL 22 -4.998 7.552 11.086 178 HG12 VAL 22 HG12 VAL 22 -6.553 8.000 11.786 179 HG13 VAL 22 HG13 VAL 22 -5.420 9.252 11.280 180 HG21 VAL 22 HG21 VAL 22 -5.944 8.935 7.696 181 HG22 VAL 22 HG22 VAL 22 -4.617 8.138 8.539 182 HG23 VAL 22 HG23 VAL 22 -5.080 9.782 8.978 183 H SER 23 H SER 23 -7.041 5.103 7.508 184 HA SER 23 HA SER 23 -7.924 6.768 5.364 185 HB2 SER 23 HB2 SER 23 -7.837 3.749 5.473 186 HB3 SER 23 HB3 SER 23 -7.823 4.764 4.030 187 HG SER 23 HG SER 23 -5.728 4.060 4.554 188 H THR 24 H THR 24 -9.937 7.506 5.265 189 HA THR 24 HA THR 24 -12.139 6.050 6.433 190 HB THR 24 HB THR 24 -13.488 8.003 5.537 191 HG1 THR 24 HG1 THR 24 -12.497 9.468 4.362 192 HG21 THR 24 HG21 THR 24 -11.155 8.591 7.362 193 HG22 THR 24 HG22 THR 24 -12.713 7.920 7.846 194 HG23 THR 24 HG23 THR 24 -12.615 9.567 7.223 195 H ASP 25 H ASP 25 -10.521 5.493 3.777 196 HA ASP 25 HA ASP 25 -12.693 5.112 1.895 197 HB2 ASP 25 HB2 ASP 25 -10.501 5.704 1.029 198 HB3 ASP 25 HB3 ASP 25 -9.766 4.334 1.844 199 H SER 26 H SER 26 -11.158 3.529 4.432 200 HA SER 26 HA SER 26 -11.699 0.820 3.721 201 HB2 SER 26 HB2 SER 26 -9.876 1.516 5.251 202 HB3 SER 26 HB3 SER 26 -11.080 2.060 6.413 203 HG SER 26 HG SER 26 -10.278 -0.057 6.861 204 H LEU 27 H LEU 27 -13.926 0.753 3.219 205 HA LEU 27 HA LEU 27 -15.753 1.210 5.475 206 HB2 LEU 27 HB2 LEU 27 -16.330 0.800 2.541 207 HB3 LEU 27 HB3 LEU 27 -17.565 0.924 3.776 208 HG LEU 27 HG LEU 27 -15.641 3.076 2.940 209 HD11 LEU 27 HD11 LEU 27 -17.427 2.726 1.349 210 HD12 LEU 27 HD12 LEU 27 -17.684 4.234 2.224 211 HD13 LEU 27 HD13 LEU 27 -18.621 2.803 2.645 212 HD21 LEU 27 HD21 LEU 27 -15.990 3.277 5.304 213 HD22 LEU 27 HD22 LEU 27 -17.727 3.050 5.105 214 HD23 LEU 27 HD23 LEU 27 -16.954 4.510 4.489 215 H GLY 28 H GLY 28 -15.884 -1.075 2.762 216 HA2 GLY 28 HA2 GLY 28 -16.472 -3.294 2.710 217 HA3 GLY 28 HA3 GLY 28 -15.761 -3.428 4.313 218 H PHE 29 H PHE 29 -18.668 -3.469 2.554 219 HA PHE 29 HA PHE 29 -20.353 -2.614 4.692 220 HB2 PHE 29 HB2 PHE 29 -21.044 -3.999 2.089 221 HB3 PHE 29 HB3 PHE 29 -22.198 -3.307 3.216 222 HD1 PHE 29 HD1 PHE 29 -20.272 -0.794 3.720 223 HD2 PHE 29 HD2 PHE 29 -21.938 -2.690 0.283 224 HE1 PHE 29 HE1 PHE 29 -20.216 1.340 2.513 225 HE2 PHE 29 HE2 PHE 29 -21.871 -0.554 -0.924 226 HZ PHE 29 HZ PHE 29 -21.005 1.464 0.185 227 H GLN 30 H GLN 30 -22.181 -4.156 5.167 228 HA GLN 30 HA GLN 30 -21.028 -6.757 5.889 229 HB2 GLN 30 HB2 GLN 30 -22.138 -6.555 8.116 230 HB3 GLN 30 HB3 GLN 30 -20.834 -5.414 7.852 231 HG2 GLN 30 HG2 GLN 30 -22.418 -3.644 7.417 232 HG3 GLN 30 HG3 GLN 30 -23.758 -4.778 7.578 233 HE21 GLN 30 HE21 GLN 30 -24.673 -3.605 9.249 234 HE22 GLN 30 HE22 GLN 30 -23.999 -3.586 10.841 235 H HIS 31 H HIS 31 -24.071 -4.917 5.651 236 HA HIS 31 HA HIS 31 -25.411 -7.494 5.159 237 HB2 HIS 31 HB2 HIS 31 -25.850 -6.487 7.430 238 HB3 HIS 31 HB3 HIS 31 -26.640 -5.149 6.610 239 HD1 HIS 31 HD1 HIS 31 -29.099 -5.407 6.610 240 HD2 HIS 31 HD2 HIS 31 -27.166 -9.084 6.468 241 HE1 HIS 31 HE1 HIS 31 -30.925 -7.132 6.623 242 HE2 HIS 31 HE2 HIS 31 -29.726 -9.342 6.712 243 H LEU 32 H LEU 32 -24.352 -5.222 3.401 244 HA LEU 32 HA LEU 32 -26.817 -4.507 2.025 245 HB2 LEU 32 HB2 LEU 32 -23.960 -3.892 1.258 246 HB3 LEU 32 HB3 LEU 32 -25.391 -3.266 0.471 247 HG LEU 32 HG LEU 32 -24.235 -2.526 3.126 248 HD11 LEU 32 HD11 LEU 32 -23.622 -1.217 1.176 249 HD12 LEU 32 HD12 LEU 32 -24.609 -0.269 2.288 250 HD13 LEU 32 HD13 LEU 32 -25.325 -0.931 0.819 251 HD21 LEU 32 HD21 LEU 32 -27.082 -2.050 2.282 252 HD22 LEU 32 HD22 LEU 32 -26.281 -1.328 3.678 253 HD23 LEU 32 HD23 LEU 32 -26.546 -3.071 3.617 254 H THR 33 H THR 33 -26.922 -4.952 -0.373 255 HA THR 33 HA THR 33 -26.644 -7.807 -0.565 256 HB THR 33 HB THR 33 -28.715 -6.560 -1.282 257 HG1 THR 33 HG1 THR 33 -28.635 -8.610 -2.030 258 HG21 THR 33 HG21 THR 33 -27.741 -4.716 -2.476 259 HG22 THR 33 HG22 THR 33 -28.689 -5.679 -3.610 260 HG23 THR 33 HG23 THR 33 -26.930 -5.816 -3.591 261 H ASN 34 H ASN 34 -26.256 -8.504 -3.027 262 HA ASN 34 HA ASN 34 -23.488 -8.545 -3.274 263 HB2 ASN 34 HB2 ASN 34 -23.860 -9.626 -5.456 264 HB3 ASN 34 HB3 ASN 34 -24.900 -10.296 -4.208 265 HD21 ASN 34 HD21 ASN 34 -25.144 -10.244 -7.136 266 HD22 ASN 34 HD22 ASN 34 -26.694 -9.551 -7.459 267 H GLU 35 H GLU 35 -25.825 -6.746 -5.275 268 HA GLU 35 HA GLU 35 -23.885 -5.526 -6.903 269 HB2 GLU 35 HB2 GLU 35 -25.684 -4.023 -7.616 270 HB3 GLU 35 HB3 GLU 35 -26.192 -5.707 -7.610 271 HG2 GLU 35 HG2 GLU 35 -27.239 -5.323 -5.406 272 HG3 GLU 35 HG3 GLU 35 -26.828 -3.619 -5.564 273 H GLU 36 H GLU 36 -25.035 -4.762 -3.733 274 HA GLU 36 HA GLU 36 -24.080 -2.051 -3.734 275 HB2 GLU 36 HB2 GLU 36 -24.884 -3.928 -1.508 276 HB3 GLU 36 HB3 GLU 36 -24.430 -2.252 -1.251 277 HG2 GLU 36 HG2 GLU 36 -26.717 -3.164 -2.971 278 HG3 GLU 36 HG3 GLU 36 -26.863 -2.617 -1.302 279 H ARG 37 H ARG 37 -22.798 -5.202 -2.993 280 HA ARG 37 HA ARG 37 -20.448 -4.146 -1.672 281 HB2 ARG 37 HB2 ARG 37 -21.036 -6.976 -2.555 282 HB3 ARG 37 HB3 ARG 37 -19.746 -6.474 -1.475 283 HG2 ARG 37 HG2 ARG 37 -21.442 -5.707 0.145 284 HG3 ARG 37 HG3 ARG 37 -22.704 -6.311 -0.932 285 HD2 ARG 37 HD2 ARG 37 -21.560 -8.559 -0.799 286 HD3 ARG 37 HD3 ARG 37 -20.580 -7.886 0.500 287 HE ARG 37 HE ARG 37 -23.401 -7.574 0.941 288 HH11 ARG 37 HH11 ARG 37 -20.674 -9.745 1.302 289 HH12 ARG 37 HH12 ARG 37 -21.438 -10.707 2.526 290 HH21 ARG 37 HH21 ARG 37 -24.403 -8.825 2.572 291 HH22 ARG 37 HH22 ARG 37 -23.556 -10.176 3.258 292 H ASN 38 H ASN 38 -21.255 -5.642 -4.777 293 HA ASN 38 HA ASN 38 -18.523 -5.759 -5.629 294 HB2 ASN 38 HB2 ASN 38 -21.124 -6.267 -7.060 295 HB3 ASN 38 HB3 ASN 38 -19.566 -6.361 -7.873 296 HD21 ASN 38 HD21 ASN 38 -18.087 -7.967 -7.234 297 HD22 ASN 38 HD22 ASN 38 -18.611 -9.391 -6.401 298 H ASP 39 H ASP 39 -21.172 -3.488 -6.147 299 HA ASP 39 HA ASP 39 -19.789 -2.082 -8.232 300 HB2 ASP 39 HB2 ASP 39 -22.232 -1.992 -8.111 301 HB3 ASP 39 HB3 ASP 39 -22.136 -1.208 -6.535 302 H MET 40 H MET 40 -20.365 -1.523 -4.786 303 HA MET 40 HA MET 40 -18.615 0.784 -4.784 304 HB2 MET 40 HB2 MET 40 -20.112 -0.609 -2.561 305 HB3 MET 40 HB3 MET 40 -19.087 0.795 -2.315 306 HG2 MET 40 HG2 MET 40 -21.279 1.610 -2.407 307 HG3 MET 40 HG3 MET 40 -20.560 2.005 -3.965 308 HE1 MET 40 HE1 MET 40 -24.347 1.317 -4.781 309 HE2 MET 40 HE2 MET 40 -23.021 2.464 -4.955 310 HE3 MET 40 HE3 MET 40 -23.659 2.094 -3.356 311 H ILE 41 H ILE 41 -17.621 -1.968 -5.403 312 HA ILE 41 HA ILE 41 -16.121 -2.989 -3.251 313 HB ILE 41 HB ILE 41 -16.716 -4.151 -5.434 314 HG12 ILE 41 HG12 ILE 41 -13.805 -4.337 -4.638 315 HG13 ILE 41 HG13 ILE 41 -15.125 -5.069 -3.731 316 HG21 ILE 41 HG21 ILE 41 -14.300 -2.649 -6.424 317 HG22 ILE 41 HG22 ILE 41 -15.962 -2.433 -6.972 318 HG23 ILE 41 HG23 ILE 41 -15.121 -3.953 -7.281 319 HD11 ILE 41 HD11 ILE 41 -14.373 -5.705 -6.573 320 HD12 ILE 41 HD12 ILE 41 -15.677 -6.454 -5.652 321 HD13 ILE 41 HD13 ILE 41 -14.001 -6.683 -5.155 322 H SER 42 H SER 42 -13.588 -3.158 -3.526 323 HA SER 42 HA SER 42 -11.518 -2.203 -3.635 324 HB2 SER 42 HB2 SER 42 -13.021 0.085 -4.869 325 HB3 SER 42 HB3 SER 42 -11.333 0.240 -4.405 326 HG SER 42 HG SER 42 -12.520 -1.324 -6.415 327 H TYR 43 H TYR 43 -14.194 -0.909 -2.059 328 HA TYR 43 HA TYR 43 -12.889 1.081 -0.494 329 HB2 TYR 43 HB2 TYR 43 -15.023 1.251 0.626 330 HB3 TYR 43 HB3 TYR 43 -15.257 1.171 -1.104 331 HD1 TYR 43 HD1 TYR 43 -14.560 -2.088 -0.572 332 HD2 TYR 43 HD2 TYR 43 -17.555 0.730 0.517 333 HE1 TYR 43 HE1 TYR 43 -16.170 -3.918 -0.301 334 HE2 TYR 43 HE2 TYR 43 -19.165 -1.100 0.795 335 HH TYR 43 HH TYR 43 -19.474 -3.430 -0.069 336 H LYS 44 H LYS 44 -11.366 -1.178 -0.107 337 HA LYS 44 HA LYS 44 -12.259 -2.291 2.460 338 HB2 LYS 44 HB2 LYS 44 -10.183 -3.339 0.534 339 HB3 LYS 44 HB3 LYS 44 -10.676 -4.120 2.029 340 HG2 LYS 44 HG2 LYS 44 -12.940 -4.384 1.152 341 HG3 LYS 44 HG3 LYS 44 -12.449 -3.595 -0.347 342 HD2 LYS 44 HD2 LYS 44 -12.433 -5.959 -0.708 343 HD3 LYS 44 HD3 LYS 44 -10.761 -5.401 -0.662 344 HE2 LYS 44 HE2 LYS 44 -10.544 -6.174 1.630 345 HE3 LYS 44 HE3 LYS 44 -12.237 -6.665 1.645 346 HZ1 LYS 44 HZ1 LYS 44 -11.732 -8.256 -0.119 347 HZ2 LYS 44 HZ2 LYS 44 -10.806 -8.555 1.262 348 HZ3 LYS 44 HZ3 LYS 44 -10.103 -7.803 -0.078 349 H GLU 45 H GLU 45 -10.041 -3.104 3.685 350 HA GLU 45 HA GLU 45 -9.074 -0.712 4.802 351 HB2 GLU 45 HB2 GLU 45 -8.020 -3.529 5.072 352 HB3 GLU 45 HB3 GLU 45 -7.527 -2.179 6.069 353 HG2 GLU 45 HG2 GLU 45 -9.892 -1.911 6.769 354 HG3 GLU 45 HG3 GLU 45 -10.228 -3.402 5.910 355 H ASN 46 H ASN 46 -7.614 -2.954 2.486 356 HA ASN 46 HA ASN 46 -5.157 -1.442 2.386 357 HB2 ASN 46 HB2 ASN 46 -6.150 -3.682 0.614 358 HB3 ASN 46 HB3 ASN 46 -4.539 -2.982 0.545 359 HD21 ASN 46 HD21 ASN 46 -5.421 -5.719 1.114 360 HD22 ASN 46 HD22 ASN 46 -4.747 -6.115 2.656 361 H GLY 47 H GLY 47 -8.216 -1.282 0.925 362 HA2 GLY 47 HA2 GLY 47 -9.075 0.363 -0.449 363 HA3 GLY 47 HA3 GLY 47 -7.452 1.047 -0.576 364 H ASP 48 H ASP 48 -8.024 -2.297 -1.321 365 HA ASP 48 HA ASP 48 -7.904 -3.533 -3.205 366 HB2 ASP 48 HB2 ASP 48 -9.740 -2.333 -4.136 367 HB3 ASP 48 HB3 ASP 48 -8.725 -0.951 -4.521 368 H VAL 49 H VAL 49 -6.605 -0.371 -4.223 369 HA VAL 49 HA VAL 49 -4.453 -1.476 -5.635 370 HB VAL 49 HB VAL 49 -3.522 0.862 -5.516 371 HG11 VAL 49 HG11 VAL 49 -5.260 1.778 -6.996 372 HG12 VAL 49 HG12 VAL 49 -6.356 0.494 -6.484 373 HG13 VAL 49 HG13 VAL 49 -4.885 0.098 -7.373 374 HG21 VAL 49 HG21 VAL 49 -6.167 1.502 -4.186 375 HG22 VAL 49 HG22 VAL 49 -4.922 2.647 -4.655 376 HG23 VAL 49 HG23 VAL 49 -4.611 1.495 -3.360 377 H HIS 50 H HIS 50 -3.257 -2.860 -4.481 378 HA HIS 50 HA HIS 50 -1.829 -1.823 -2.130 379 HB2 HIS 50 HB2 HIS 50 -3.545 -3.521 -1.519 380 HB3 HIS 50 HB3 HIS 50 -2.770 -4.665 -2.603 381 HD1 HIS 50 HD1 HIS 50 -1.202 -6.221 -1.485 382 HD2 HIS 50 HD2 HIS 50 -1.615 -2.668 0.623 383 HE1 HIS 50 HE1 HIS 50 0.109 -6.533 0.634 384 HE2 HIS 50 HE2 HIS 50 -0.360 -4.466 1.988 385 H VAL 51 H VAL 51 -0.030 -1.238 -3.288 386 HA VAL 51 HA VAL 51 1.306 -3.389 -4.777 387 HB VAL 51 HB VAL 51 2.594 -1.449 -5.869 388 HG11 VAL 51 HG11 VAL 51 0.874 -1.132 -7.553 389 HG12 VAL 51 HG12 VAL 51 -0.358 -1.707 -6.431 390 HG13 VAL 51 HG13 VAL 51 0.887 -2.814 -7.015 391 HG21 VAL 51 HG21 VAL 51 0.246 0.064 -4.758 392 HG22 VAL 51 HG22 VAL 51 1.346 0.662 -5.999 393 HG23 VAL 51 HG23 VAL 51 1.948 0.326 -4.376 394 H LEU 52 H LEU 52 3.144 -4.117 -4.056 395 HA LEU 52 HA LEU 52 4.365 -2.826 -1.751 396 HB2 LEU 52 HB2 LEU 52 4.777 -5.542 -3.010 397 HB3 LEU 52 HB3 LEU 52 5.735 -4.944 -1.668 398 HG LEU 52 HG LEU 52 4.082 -6.445 -0.808 399 HD11 LEU 52 HD11 LEU 52 2.856 -5.003 0.750 400 HD12 LEU 52 HD12 LEU 52 3.312 -3.599 -0.211 401 HD13 LEU 52 HD13 LEU 52 4.554 -4.553 0.599 402 HD21 LEU 52 HD21 LEU 52 2.452 -6.424 -2.585 403 HD22 LEU 52 HD22 LEU 52 2.017 -4.755 -2.213 404 HD23 LEU 52 HD23 LEU 52 1.660 -6.037 -1.057 405 H THR 53 H THR 53 5.972 -1.478 -2.047 406 HA THR 53 HA THR 53 7.727 -1.834 -4.375 407 HB THR 53 HB THR 53 5.940 -0.154 -4.873 408 HG1 THR 53 HG1 THR 53 7.712 0.236 -6.059 409 HG21 THR 53 HG21 THR 53 5.686 0.746 -2.606 410 HG22 THR 53 HG22 THR 53 6.014 2.019 -3.781 411 HG23 THR 53 HG23 THR 53 7.298 1.455 -2.712 412 H ILE 54 H ILE 54 9.357 0.304 -4.065 413 HA ILE 54 HA ILE 54 10.653 -0.307 -1.507 414 HB ILE 54 HB ILE 54 11.619 0.036 -4.231 415 HG12 ILE 54 HG12 ILE 54 13.064 -0.985 -1.796 416 HG13 ILE 54 HG13 ILE 54 11.850 -1.924 -2.641 417 HG21 ILE 54 HG21 ILE 54 12.365 2.212 -3.441 418 HG22 ILE 54 HG22 ILE 54 13.732 1.129 -3.696 419 HG23 ILE 54 HG23 ILE 54 13.156 1.452 -2.062 420 HD11 ILE 54 HD11 ILE 54 14.073 -2.562 -3.334 421 HD12 ILE 54 HD12 ILE 54 14.422 -0.898 -3.800 422 HD13 ILE 54 HD13 ILE 54 13.201 -1.820 -4.675 423 H CYS 55 H CYS 55 10.830 1.182 -0.004 424 HA CYS 55 HA CYS 55 9.687 3.770 -0.373 425 HB2 CYS 55 HB2 CYS 55 10.067 4.113 1.985 426 HB3 CYS 55 HB3 CYS 55 9.461 2.483 1.747 427 H GLU 56 H GLU 56 10.872 5.741 0.502 428 HA GLU 56 HA GLU 56 13.034 6.392 -1.100 429 HB2 GLU 56 HB2 GLU 56 11.601 8.043 0.015 430 HB3 GLU 56 HB3 GLU 56 12.251 7.569 1.575 431 HG2 GLU 56 HG2 GLU 56 13.249 9.632 0.867 432 HG3 GLU 56 HG3 GLU 56 14.462 8.357 0.866 433 H ASP 57 H ASP 57 12.970 5.194 2.220 434 HA ASP 57 HA ASP 57 15.713 5.401 2.768 435 HB2 ASP 57 HB2 ASP 57 13.953 4.990 4.470 436 HB3 ASP 57 HB3 ASP 57 13.771 3.354 3.848 437 H CYS 58 H CYS 58 13.825 2.645 1.558 438 HA CYS 58 HA CYS 58 15.977 0.873 1.200 439 HB2 CYS 58 HB2 CYS 58 13.256 1.091 -0.057 440 HB3 CYS 58 HB3 CYS 58 14.407 -0.119 -0.610 441 H GLN 59 H GLN 59 14.339 2.982 -1.138 442 HA GLN 59 HA GLN 59 15.879 2.466 -3.370 443 HB2 GLN 59 HB2 GLN 59 13.786 3.768 -3.387 444 HB3 GLN 59 HB3 GLN 59 14.617 5.103 -2.602 445 HG2 GLN 59 HG2 GLN 59 15.993 4.258 -4.998 446 HG3 GLN 59 HG3 GLN 59 14.323 4.690 -5.323 447 HE21 GLN 59 HE21 GLN 59 17.410 5.815 -4.277 448 HE22 GLN 59 HE22 GLN 59 17.049 7.501 -4.357 449 H GLU 60 H GLU 60 16.582 4.603 -0.663 450 HA GLU 60 HA GLU 60 18.703 5.967 -1.907 451 HB2 GLU 60 HB2 GLU 60 17.506 5.770 0.749 452 HB3 GLU 60 HB3 GLU 60 19.226 6.032 0.779 453 HG2 GLU 60 HG2 GLU 60 17.317 7.711 -0.739 454 HG3 GLU 60 HG3 GLU 60 17.892 8.098 0.871 455 H ALA 61 H ALA 61 18.622 3.155 0.252 456 HA ALA 61 HA ALA 61 21.445 2.795 0.355 457 HB1 ALA 61 HB1 ALA 61 19.953 1.804 2.026 458 HB2 ALA 61 HB2 ALA 61 20.909 0.558 1.221 459 HB3 ALA 61 HB3 ALA 61 19.216 0.793 0.782 460 H LEU 62 H LEU 62 18.869 1.822 -1.661 461 HA LEU 62 HA LEU 62 20.078 -0.114 -3.265 462 HB2 LEU 62 HB2 LEU 62 17.632 1.222 -2.974 463 HB3 LEU 62 HB3 LEU 62 18.133 1.519 -4.626 464 HG LEU 62 HG LEU 62 18.556 -1.025 -4.638 465 HD11 LEU 62 HD11 LEU 62 18.225 -1.458 -2.307 466 HD12 LEU 62 HD12 LEU 62 16.962 -2.271 -3.231 467 HD13 LEU 62 HD13 LEU 62 16.602 -0.771 -2.376 468 HD21 LEU 62 HD21 LEU 62 15.829 0.231 -4.746 469 HD22 LEU 62 HD22 LEU 62 16.174 -1.405 -5.307 470 HD23 LEU 62 HD23 LEU 62 16.945 -0.024 -6.087 471 H ASP 63 H ASP 63 19.352 3.256 -3.955 472 HA ASP 63 HA ASP 63 20.639 3.483 -6.402 473 HB2 ASP 63 HB2 ASP 63 19.034 5.122 -5.661 474 HB3 ASP 63 HB3 ASP 63 20.049 5.577 -4.301 475 H ARG 64 H ARG 64 21.901 3.984 -3.133 476 HA ARG 64 HA ARG 64 24.440 4.934 -3.869 477 HB2 ARG 64 HB2 ARG 64 23.710 5.076 -1.570 478 HB3 ARG 64 HB3 ARG 64 23.574 3.327 -1.458 479 HG2 ARG 64 HG2 ARG 64 25.920 3.047 -1.519 480 HG3 ARG 64 HG3 ARG 64 26.180 4.726 -1.990 481 HD2 ARG 64 HD2 ARG 64 25.029 3.803 0.640 482 HD3 ARG 64 HD3 ARG 64 26.690 4.338 0.384 483 HE ARG 64 HE ARG 64 25.626 6.518 -0.337 484 HH11 ARG 64 HH11 ARG 64 24.172 4.389 2.032 485 HH12 ARG 64 HH12 ARG 64 23.258 5.647 2.788 486 HH21 ARG 64 HH21 ARG 64 24.426 8.179 0.666 487 HH22 ARG 64 HH22 ARG 64 23.405 7.810 2.020 488 H ASN 65 H ASN 65 23.611 1.623 -2.818 489 HA ASN 65 HA ASN 65 25.007 0.461 -5.030 490 HB2 ASN 65 HB2 ASN 65 26.908 1.034 -3.511 491 HB3 ASN 65 HB3 ASN 65 26.180 0.014 -2.273 492 HD21 ASN 65 HD21 ASN 65 27.880 0.090 -5.288 493 HD22 ASN 65 HD22 ASN 65 28.241 -1.599 -5.363 494 HA PRO 66 HA PRO 66 21.690 -2.375 -4.286 495 HB2 PRO 66 HB2 PRO 66 23.505 -4.219 -5.756 496 HB3 PRO 66 HB3 PRO 66 21.808 -3.831 -6.055 497 HG2 PRO 66 HG2 PRO 66 23.727 -2.820 -7.593 498 HG3 PRO 66 HG3 PRO 66 22.315 -1.849 -7.138 499 HD2 PRO 66 HD2 PRO 66 25.111 -1.729 -6.112 500 HD3 PRO 66 HD3 PRO 66 23.938 -0.422 -6.362 501 H HIS 67 H HIS 67 25.000 -3.048 -3.412 502 HA HIS 67 HA HIS 67 24.293 -5.453 -1.955 503 HB2 HIS 67 HB2 HIS 67 26.912 -3.956 -2.181 504 HB3 HIS 67 HB3 HIS 67 26.698 -5.439 -1.256 505 HD1 HIS 67 HD1 HIS 67 26.760 -7.622 -2.531 506 HD2 HIS 67 HD2 HIS 67 26.664 -4.297 -5.021 507 HE1 HIS 67 HE1 HIS 67 27.163 -8.504 -4.848 508 HE2 HIS 67 HE2 HIS 67 27.110 -6.477 -6.340 509 H TYR 68 H TYR 68 22.666 -3.992 -0.849 510 HA TYR 68 HA TYR 68 23.748 -2.437 1.356 511 HB2 TYR 68 HB2 TYR 68 21.379 -1.932 1.853 512 HB3 TYR 68 HB3 TYR 68 21.786 -1.566 0.181 513 HD1 TYR 68 HD1 TYR 68 20.179 -4.136 2.334 514 HD2 TYR 68 HD2 TYR 68 20.544 -2.511 -1.578 515 HE1 TYR 68 HE1 TYR 68 18.324 -5.549 1.593 516 HE2 TYR 68 HE2 TYR 68 18.677 -3.917 -2.337 517 HH TYR 68 HH TYR 68 17.606 -6.089 -1.639 518 H HIS 69 H HIS 69 24.051 -5.391 1.082 519 HA HIS 69 HA HIS 69 24.273 -7.134 2.508 520 HB2 HIS 69 HB2 HIS 69 22.901 -5.280 4.427 521 HB3 HIS 69 HB3 HIS 69 23.174 -6.968 4.833 522 HD1 HIS 69 HD1 HIS 69 24.722 -3.743 5.084 523 HD2 HIS 69 HD2 HIS 69 26.088 -7.631 4.560 524 HE1 HIS 69 HE1 HIS 69 27.161 -3.687 5.682 525 HE2 HIS 69 HE2 HIS 69 27.924 -6.082 5.516 526 H GLU 70 H GLU 70 23.048 -8.188 0.931 527 HA GLU 70 HA GLU 70 20.225 -8.548 1.276 528 HB2 GLU 70 HB2 GLU 70 20.515 -10.338 -0.452 529 HB3 GLU 70 HB3 GLU 70 21.096 -8.757 -0.947 530 HG2 GLU 70 HG2 GLU 70 23.401 -9.487 -0.391 531 HG3 GLU 70 HG3 GLU 70 22.767 -11.091 -0.037 532 H TYR 71 H TYR 71 19.669 -9.393 3.175 533 HA TYR 71 HA TYR 71 21.218 -11.235 4.636 534 HB2 TYR 71 HB2 TYR 71 19.134 -11.447 6.053 535 HB3 TYR 71 HB3 TYR 71 19.757 -9.815 5.850 536 HD1 TYR 71 HD1 TYR 71 18.483 -8.136 4.711 537 HD2 TYR 71 HD2 TYR 71 17.061 -12.146 4.893 538 HE1 TYR 71 HE1 TYR 71 16.279 -7.384 3.926 539 HE2 TYR 71 HE2 TYR 71 14.850 -11.398 4.116 540 HH TYR 71 HH TYR 71 14.305 -8.440 2.701 541 H HIS 72 H HIS 72 18.418 -11.705 2.508 542 HA HIS 72 HA HIS 72 17.356 -13.567 1.741 543 HB2 HIS 72 HB2 HIS 72 20.044 -14.816 2.302 544 HB3 HIS 72 HB3 HIS 72 18.715 -15.675 1.549 545 HD1 HIS 72 HD1 HIS 72 18.359 -15.324 -0.931 546 HD2 HIS 72 HD2 HIS 72 21.178 -12.742 0.696 547 HE1 HIS 72 HE1 HIS 72 19.482 -14.224 -2.896 548 HE2 HIS 72 HE2 HIS 72 21.195 -12.663 -1.890 549 H THR 73 H THR 73 15.883 -13.555 3.507 550 HA THR 73 HA THR 73 16.124 -15.955 5.130 551 HB THR 73 HB THR 73 15.484 -13.294 6.426 552 HG1 THR 73 HG1 THR 73 17.870 -14.510 5.901 553 HG21 THR 73 HG21 THR 73 15.646 -14.569 8.519 554 HG22 THR 73 HG22 THR 73 15.937 -16.044 7.597 555 HG23 THR 73 HG23 THR 73 14.384 -15.219 7.472 Start of MODEL 2 1 H1 GLN -1 H1 GLN -1 -5.603 13.064 -11.375 2 H2 GLN -1 H2 GLN -1 -6.161 13.790 -9.954 3 H3 GLN -1 H3 GLN -1 -7.177 12.769 -10.834 4 HA GLN -1 HA GLN -1 -6.324 11.673 -8.866 5 HB2 GLN -1 HB2 GLN -1 -5.203 10.583 -11.458 6 HB3 GLN -1 HB3 GLN -1 -5.429 9.659 -9.981 7 HG2 GLN -1 HG2 GLN -1 -7.643 10.988 -11.521 8 HG3 GLN -1 HG3 GLN -1 -7.193 9.291 -11.665 9 HE21 GLN -1 HE21 GLN -1 -7.713 7.873 -10.042 10 HE22 GLN -1 HE22 GLN -1 -8.789 8.278 -8.747 11 H SER 0 H SER 0 -4.833 13.203 -7.839 12 HA SER 0 HA SER 0 -2.038 13.055 -8.480 13 HB2 SER 0 HB2 SER 0 -3.369 14.007 -5.930 14 HB3 SER 0 HB3 SER 0 -1.708 14.333 -6.425 15 HG SER 0 HG SER 0 -3.381 15.058 -8.390 16 H MET 1 H MET 1 -4.281 11.361 -6.455 17 HA MET 1 HA MET 1 -2.180 9.403 -5.853 18 HB2 MET 1 HB2 MET 1 -2.504 10.521 -3.789 19 HB3 MET 1 HB3 MET 1 -4.252 10.501 -3.952 20 HG2 MET 1 HG2 MET 1 -4.174 8.032 -3.737 21 HG3 MET 1 HG3 MET 1 -2.440 8.150 -3.447 22 HE1 MET 1 HE1 MET 1 -3.816 7.272 0.109 23 HE2 MET 1 HE2 MET 1 -2.599 6.885 -1.105 24 HE3 MET 1 HE3 MET 1 -4.308 6.639 -1.463 25 H ALA 2 H ALA 2 -2.832 7.291 -5.876 26 HA ALA 2 HA ALA 2 -5.605 6.706 -6.554 27 HB1 ALA 2 HB1 ALA 2 -4.552 7.100 -8.712 28 HB2 ALA 2 HB2 ALA 2 -4.988 5.402 -8.529 29 HB3 ALA 2 HB3 ALA 2 -3.311 5.907 -8.331 30 H LEU 3 H LEU 3 -2.525 5.000 -6.669 31 HA LEU 3 HA LEU 3 -3.761 2.742 -5.315 32 HB2 LEU 3 HB2 LEU 3 -1.066 3.022 -6.638 33 HB3 LEU 3 HB3 LEU 3 -1.611 1.576 -5.837 34 HG LEU 3 HG LEU 3 -3.587 1.641 -7.490 35 HD11 LEU 3 HD11 LEU 3 -3.182 3.871 -8.284 36 HD12 LEU 3 HD12 LEU 3 -3.046 2.711 -9.606 37 HD13 LEU 3 HD13 LEU 3 -1.594 3.395 -8.870 38 HD21 LEU 3 HD21 LEU 3 -0.785 1.013 -8.397 39 HD22 LEU 3 HD22 LEU 3 -2.259 0.449 -9.181 40 HD23 LEU 3 HD23 LEU 3 -1.875 -0.073 -7.540 41 H HIS 4 H HIS 4 -2.766 1.680 -3.535 42 HA HIS 4 HA HIS 4 -1.490 3.597 -1.718 43 HB2 HIS 4 HB2 HIS 4 -2.803 0.937 -1.278 44 HB3 HIS 4 HB3 HIS 4 -1.852 1.707 -0.034 45 HD1 HIS 4 HD1 HIS 4 -3.252 2.849 1.607 46 HD2 HIS 4 HD2 HIS 4 -4.960 2.951 -2.180 47 HE1 HIS 4 HE1 HIS 4 -5.456 4.014 1.894 48 HE2 HIS 4 HE2 HIS 4 -6.561 3.862 -0.359 49 H TYR 5 H TYR 5 0.565 3.523 -1.420 50 HA TYR 5 HA TYR 5 2.130 1.271 -2.418 51 HB2 TYR 5 HB2 TYR 5 2.790 4.118 -1.718 52 HB3 TYR 5 HB3 TYR 5 4.066 2.904 -1.836 53 HD1 TYR 5 HD1 TYR 5 1.291 2.467 -4.124 54 HD2 TYR 5 HD2 TYR 5 5.028 4.397 -3.548 55 HE1 TYR 5 HE1 TYR 5 1.447 2.868 -6.542 56 HE2 TYR 5 HE2 TYR 5 5.205 4.796 -5.953 57 HH TYR 5 HH TYR 5 4.305 3.844 -8.062 58 H TYR 6 H TYR 6 2.975 -0.175 -1.093 59 HA TYR 6 HA TYR 6 3.669 0.662 1.641 60 HB2 TYR 6 HB2 TYR 6 2.513 -2.029 0.863 61 HB3 TYR 6 HB3 TYR 6 3.009 -1.543 2.480 62 HD1 TYR 6 HD1 TYR 6 0.365 -1.485 0.022 63 HD2 TYR 6 HD2 TYR 6 1.714 0.286 3.658 64 HE1 TYR 6 HE1 TYR 6 -1.897 -0.641 0.447 65 HE2 TYR 6 HE2 TYR 6 -0.559 1.125 4.085 66 HH TYR 6 HH TYR 6 -3.261 0.035 2.473 67 H CYS 7 H CYS 7 5.695 -0.046 2.332 68 HA CYS 7 HA CYS 7 7.367 -0.683 0.093 69 HB2 CYS 7 HB2 CYS 7 8.077 1.007 1.782 70 HB3 CYS 7 HB3 CYS 7 8.295 -0.287 2.922 71 H ARG 8 H ARG 8 8.381 -2.391 -0.415 72 HA ARG 8 HA ARG 8 8.155 -4.928 0.671 73 HB2 ARG 8 HB2 ARG 8 9.083 -4.521 -1.533 74 HB3 ARG 8 HB3 ARG 8 10.412 -3.600 -0.846 75 HG2 ARG 8 HG2 ARG 8 10.951 -5.824 0.393 76 HG3 ARG 8 HG3 ARG 8 9.974 -6.547 -0.893 77 HD2 ARG 8 HD2 ARG 8 12.352 -6.522 -1.480 78 HD3 ARG 8 HD3 ARG 8 11.408 -5.515 -2.577 79 HE ARG 8 HE ARG 8 12.563 -3.687 -1.835 80 HH11 ARG 8 HH11 ARG 8 13.076 -6.329 0.399 81 HH12 ARG 8 HH12 ARG 8 14.277 -5.476 1.331 82 HH21 ARG 8 HH21 ARG 8 14.162 -2.568 -0.593 83 HH22 ARG 8 HH22 ARG 8 14.878 -3.359 0.776 84 H HIS 9 H HIS 9 8.613 -5.470 2.674 85 HA HIS 9 HA HIS 9 9.988 -6.218 4.349 86 HB2 HIS 9 HB2 HIS 9 11.979 -6.141 3.004 87 HB3 HIS 9 HB3 HIS 9 12.056 -4.389 3.118 88 HD1 HIS 9 HD1 HIS 9 14.427 -4.464 4.109 89 HD2 HIS 9 HD2 HIS 9 11.590 -6.475 6.397 90 HE1 HIS 9 HE1 HIS 9 15.512 -4.872 6.345 91 HE2 HIS 9 HE2 HIS 9 13.723 -5.945 7.755 92 H CYS 10 H CYS 10 10.193 -2.696 3.782 93 HA CYS 10 HA CYS 10 10.269 -2.090 6.563 94 HB2 CYS 10 HB2 CYS 10 9.386 -0.335 4.285 95 HB3 CYS 10 HB3 CYS 10 9.806 0.216 5.895 96 H GLY 11 H GLY 11 7.705 -2.388 4.178 97 HA2 GLY 11 HA2 GLY 11 5.430 -2.616 4.464 98 HA3 GLY 11 HA3 GLY 11 5.686 -2.568 6.218 99 H VAL 12 H VAL 12 7.238 0.025 4.808 100 HA VAL 12 HA VAL 12 5.459 1.820 6.027 101 HB VAL 12 HB VAL 12 7.700 2.464 6.152 102 HG11 VAL 12 HG11 VAL 12 8.520 1.225 4.201 103 HG12 VAL 12 HG12 VAL 12 9.122 2.874 4.235 104 HG13 VAL 12 HG13 VAL 12 7.807 2.439 3.145 105 HG21 VAL 12 HG21 VAL 12 7.742 4.655 5.155 106 HG22 VAL 12 HG22 VAL 12 6.144 4.302 5.809 107 HG23 VAL 12 HG23 VAL 12 6.432 4.195 4.074 108 H LYS 13 H LYS 13 3.980 3.125 5.293 109 HA LYS 13 HA LYS 13 2.839 2.606 2.728 110 HB2 LYS 13 HB2 LYS 13 2.181 4.810 4.686 111 HB3 LYS 13 HB3 LYS 13 1.180 4.293 3.348 112 HG2 LYS 13 HG2 LYS 13 0.152 3.291 5.126 113 HG3 LYS 13 HG3 LYS 13 1.200 2.000 4.566 114 HD2 LYS 13 HD2 LYS 13 1.298 2.121 6.966 115 HD3 LYS 13 HD3 LYS 13 2.842 2.647 6.305 116 HE2 LYS 13 HE2 LYS 13 2.229 4.122 8.099 117 HE3 LYS 13 HE3 LYS 13 2.096 5.004 6.581 118 HZ1 LYS 13 HZ1 LYS 13 0.217 5.431 8.040 119 HZ2 LYS 13 HZ2 LYS 13 -0.167 3.785 8.069 120 HZ3 LYS 13 HZ3 LYS 13 -0.294 4.655 6.627 121 H VAL 14 H VAL 14 4.244 3.210 1.124 122 HA VAL 14 HA VAL 14 5.723 5.662 1.201 123 HB VAL 14 HB VAL 14 5.365 4.466 -1.465 124 HG11 VAL 14 HG11 VAL 14 7.806 4.625 -1.482 125 HG12 VAL 14 HG12 VAL 14 7.780 5.097 0.218 126 HG13 VAL 14 HG13 VAL 14 7.046 6.144 -1.006 127 HG21 VAL 14 HG21 VAL 14 6.584 2.822 0.745 128 HG22 VAL 14 HG22 VAL 14 6.855 2.539 -0.975 129 HG23 VAL 14 HG23 VAL 14 5.235 2.380 -0.302 130 H GLY 15 H GLY 15 2.594 4.738 0.196 131 HA2 GLY 15 HA2 GLY 15 2.307 7.210 -1.389 132 HA3 GLY 15 HA3 GLY 15 1.368 5.751 -1.656 133 H SER 16 H SER 16 1.950 6.709 1.603 134 HA SER 16 HA SER 16 -0.461 8.300 1.745 135 HB2 SER 16 HB2 SER 16 -1.182 5.910 1.984 136 HB3 SER 16 HB3 SER 16 -0.233 5.827 3.465 137 HG SER 16 HG SER 16 -2.112 7.895 3.138 138 H LEU 17 H LEU 17 1.229 9.758 2.145 139 HA LEU 17 HA LEU 17 1.862 9.910 4.998 140 HB2 LEU 17 HB2 LEU 17 4.109 10.710 4.588 141 HB3 LEU 17 HB3 LEU 17 3.907 9.128 3.871 142 HG LEU 17 HG LEU 17 3.682 11.650 2.234 143 HD11 LEU 17 HD11 LEU 17 5.869 11.629 3.336 144 HD12 LEU 17 HD12 LEU 17 6.009 11.340 1.602 145 HD13 LEU 17 HD13 LEU 17 6.152 9.996 2.733 146 HD21 LEU 17 HD21 LEU 17 2.785 9.600 1.236 147 HD22 LEU 17 HD22 LEU 17 4.328 8.791 1.508 148 HD23 LEU 17 HD23 LEU 17 4.229 10.149 0.388 149 H GLU 18 H GLU 18 1.166 11.330 1.999 150 HA GLU 18 HA GLU 18 0.995 14.030 3.116 151 HB2 GLU 18 HB2 GLU 18 0.294 14.298 0.496 152 HB3 GLU 18 HB3 GLU 18 1.937 14.441 1.098 153 HG2 GLU 18 HG2 GLU 18 1.819 13.031 -0.889 154 HG3 GLU 18 HG3 GLU 18 2.388 12.131 0.511 155 H SER 19 H SER 19 -0.840 11.337 2.107 156 HA SER 19 HA SER 19 -3.339 12.667 1.694 157 HB2 SER 19 HB2 SER 19 -4.072 10.135 1.904 158 HB3 SER 19 HB3 SER 19 -3.184 10.711 0.504 159 HG SER 19 HG SER 19 -1.408 9.709 1.146 160 H SER 20 H SER 20 -1.626 11.470 4.360 161 HA SER 20 HA SER 20 -3.541 10.631 6.147 162 HB2 SER 20 HB2 SER 20 -1.131 12.289 6.899 163 HB3 SER 20 HB3 SER 20 -1.942 11.066 7.876 164 HG SER 20 HG SER 20 -1.155 9.482 6.554 165 H MET 21 H MET 21 -2.718 13.946 5.254 166 HA MET 21 HA MET 21 -4.605 14.920 7.296 167 HB2 MET 21 HB2 MET 21 -2.335 16.332 5.897 168 HB3 MET 21 HB3 MET 21 -3.504 17.139 6.928 169 HG2 MET 21 HG2 MET 21 -2.803 15.727 8.807 170 HG3 MET 21 HG3 MET 21 -1.597 14.970 7.767 171 HE1 MET 21 HE1 MET 21 0.336 15.547 9.470 172 HE2 MET 21 HE2 MET 21 -0.837 16.288 10.560 173 HE3 MET 21 HE3 MET 21 0.629 17.162 10.115 174 H VAL 22 H VAL 22 -4.949 13.867 4.485 175 HA VAL 22 HA VAL 22 -6.406 16.157 3.354 176 HB VAL 22 HB VAL 22 -5.157 13.779 1.963 177 HG11 VAL 22 HG11 VAL 22 -7.278 14.363 0.930 178 HG12 VAL 22 HG12 VAL 22 -5.916 14.771 -0.112 179 HG13 VAL 22 HG13 VAL 22 -6.749 16.038 0.787 180 HG21 VAL 22 HG21 VAL 22 -4.559 16.727 1.809 181 HG22 VAL 22 HG22 VAL 22 -3.777 15.464 0.857 182 HG23 VAL 22 HG23 VAL 22 -3.569 15.507 2.608 183 H SER 23 H SER 23 -8.554 15.965 3.194 184 HA SER 23 HA SER 23 -9.887 13.729 4.315 185 HB2 SER 23 HB2 SER 23 -11.015 15.990 2.649 186 HB3 SER 23 HB3 SER 23 -11.938 14.909 3.696 187 HG SER 23 HG SER 23 -9.851 16.058 5.011 188 H THR 24 H THR 24 -10.082 11.820 3.364 189 HA THR 24 HA THR 24 -9.569 11.259 0.682 190 HB THR 24 HB THR 24 -11.331 9.586 2.474 191 HG1 THR 24 HG1 THR 24 -9.125 8.634 2.969 192 HG21 THR 24 HG21 THR 24 -11.132 8.823 0.152 193 HG22 THR 24 HG22 THR 24 -10.310 7.718 1.254 194 HG23 THR 24 HG23 THR 24 -9.373 8.859 0.288 195 H ASP 25 H ASP 25 -10.700 11.766 -1.059 196 HA ASP 25 HA ASP 25 -13.544 12.425 -0.799 197 HB2 ASP 25 HB2 ASP 25 -13.319 13.534 -2.940 198 HB3 ASP 25 HB3 ASP 25 -12.000 14.054 -1.896 199 H SER 26 H SER 26 -11.435 10.044 -2.007 200 HA SER 26 HA SER 26 -12.995 9.034 -4.133 201 HB2 SER 26 HB2 SER 26 -10.595 8.602 -3.947 202 HB3 SER 26 HB3 SER 26 -10.852 7.703 -2.458 203 HG SER 26 HG SER 26 -12.108 6.962 -4.887 204 H LEU 27 H LEU 27 -12.189 6.884 -1.476 205 HA LEU 27 HA LEU 27 -13.393 5.504 -0.158 206 HB2 LEU 27 HB2 LEU 27 -15.633 7.470 -0.589 207 HB3 LEU 27 HB3 LEU 27 -15.552 6.261 0.665 208 HG LEU 27 HG LEU 27 -13.601 8.541 0.410 209 HD11 LEU 27 HD11 LEU 27 -14.811 9.572 2.261 210 HD12 LEU 27 HD12 LEU 27 -16.019 8.288 2.196 211 HD13 LEU 27 HD13 LEU 27 -15.842 9.404 0.841 212 HD21 LEU 27 HD21 LEU 27 -13.078 7.930 2.735 213 HD22 LEU 27 HD22 LEU 27 -12.721 6.640 1.586 214 HD23 LEU 27 HD23 LEU 27 -14.168 6.551 2.587 215 H GLY 28 H GLY 28 -14.965 3.833 -0.186 216 HA2 GLY 28 HA2 GLY 28 -15.902 3.124 -2.841 217 HA3 GLY 28 HA3 GLY 28 -16.003 2.130 -1.392 218 H PHE 29 H PHE 29 -17.107 5.412 -1.332 219 HA PHE 29 HA PHE 29 -19.822 4.826 -1.939 220 HB2 PHE 29 HB2 PHE 29 -20.713 5.411 0.295 221 HB3 PHE 29 HB3 PHE 29 -19.778 3.925 0.326 222 HD1 PHE 29 HD1 PHE 29 -19.968 7.387 1.441 223 HD2 PHE 29 HD2 PHE 29 -17.637 3.830 1.466 224 HE1 PHE 29 HE1 PHE 29 -18.633 8.278 3.302 225 HE2 PHE 29 HE2 PHE 29 -16.294 4.717 3.322 226 HZ PHE 29 HZ PHE 29 -16.790 6.947 4.244 227 H GLN 30 H GLN 30 -21.161 6.839 -1.456 228 HA GLN 30 HA GLN 30 -19.557 9.068 -2.465 229 HB2 GLN 30 HB2 GLN 30 -21.702 10.043 -3.202 230 HB3 GLN 30 HB3 GLN 30 -21.430 8.436 -3.857 231 HG2 GLN 30 HG2 GLN 30 -22.996 7.479 -2.322 232 HG3 GLN 30 HG3 GLN 30 -23.153 9.003 -1.460 233 HE21 GLN 30 HE21 GLN 30 -23.017 8.814 -4.956 234 HE22 GLN 30 HE22 GLN 30 -24.664 9.257 -5.225 235 H HIS 31 H HIS 31 -22.058 8.434 -0.043 236 HA HIS 31 HA HIS 31 -20.860 10.018 1.931 237 HB2 HIS 31 HB2 HIS 31 -21.737 11.842 0.380 238 HB3 HIS 31 HB3 HIS 31 -23.358 11.294 0.797 239 HD1 HIS 31 HD1 HIS 31 -24.288 11.990 3.064 240 HD2 HIS 31 HD2 HIS 31 -20.317 13.083 2.510 241 HE1 HIS 31 HE1 HIS 31 -23.739 13.531 4.972 242 HE2 HIS 31 HE2 HIS 31 -21.390 14.313 4.513 243 H LEU 32 H LEU 32 -21.535 7.602 2.170 244 HA LEU 32 HA LEU 32 -24.287 7.182 2.897 245 HB2 LEU 32 HB2 LEU 32 -21.846 5.487 2.653 246 HB3 LEU 32 HB3 LEU 32 -23.153 4.907 3.648 247 HG LEU 32 HG LEU 32 -24.663 4.813 1.804 248 HD11 LEU 32 HD11 LEU 32 -24.055 6.873 0.669 249 HD12 LEU 32 HD12 LEU 32 -24.045 5.516 -0.458 250 HD13 LEU 32 HD13 LEU 32 -22.526 6.160 0.161 251 HD21 LEU 32 HD21 LEU 32 -23.141 2.940 1.979 252 HD22 LEU 32 HD22 LEU 32 -21.958 3.778 0.977 253 HD23 LEU 32 HD23 LEU 32 -23.503 3.277 0.287 254 H THR 33 H THR 33 -24.256 5.633 5.120 255 HA THR 33 HA THR 33 -24.133 7.648 7.083 256 HB THR 33 HB THR 33 -24.622 5.569 8.608 257 HG1 THR 33 HG1 THR 33 -25.664 4.459 6.267 258 HG21 THR 33 HG21 THR 33 -26.519 6.631 6.520 259 HG22 THR 33 HG22 THR 33 -26.246 7.285 8.135 260 HG23 THR 33 HG23 THR 33 -27.001 5.705 7.940 261 H ASN 34 H ASN 34 -23.215 7.142 9.282 262 HA ASN 34 HA ASN 34 -20.415 7.165 9.152 263 HB2 ASN 34 HB2 ASN 34 -22.080 6.471 11.586 264 HB3 ASN 34 HB3 ASN 34 -20.429 7.077 11.581 265 HD21 ASN 34 HD21 ASN 34 -23.771 7.865 11.276 266 HD22 ASN 34 HD22 ASN 34 -23.583 9.585 11.278 267 H GLU 35 H GLU 35 -22.725 4.627 9.834 268 HA GLU 35 HA GLU 35 -20.941 2.684 10.773 269 HB2 GLU 35 HB2 GLU 35 -22.742 1.068 10.195 270 HB3 GLU 35 HB3 GLU 35 -23.284 2.432 11.165 271 HG2 GLU 35 HG2 GLU 35 -24.170 3.509 9.181 272 HG3 GLU 35 HG3 GLU 35 -23.589 2.172 8.194 273 H GLU 36 H GLU 36 -21.645 3.742 7.532 274 HA GLU 36 HA GLU 36 -20.650 1.418 6.217 275 HB2 GLU 36 HB2 GLU 36 -22.162 3.098 5.156 276 HB3 GLU 36 HB3 GLU 36 -20.828 4.242 5.153 277 HG2 GLU 36 HG2 GLU 36 -21.096 3.217 2.976 278 HG3 GLU 36 HG3 GLU 36 -19.551 2.764 3.694 279 H ARG 37 H ARG 37 -19.232 4.564 7.080 280 HA ARG 37 HA ARG 37 -16.698 3.890 5.914 281 HB2 ARG 37 HB2 ARG 37 -15.882 5.962 6.858 282 HB3 ARG 37 HB3 ARG 37 -17.415 6.229 6.047 283 HG2 ARG 37 HG2 ARG 37 -18.559 6.384 8.138 284 HG3 ARG 37 HG3 ARG 37 -17.113 5.883 9.019 285 HD2 ARG 37 HD2 ARG 37 -17.440 8.417 7.415 286 HD3 ARG 37 HD3 ARG 37 -17.419 8.291 9.174 287 HE ARG 37 HE ARG 37 -15.054 7.165 8.224 288 HH11 ARG 37 HH11 ARG 37 -16.609 10.297 8.301 289 HH12 ARG 37 HH12 ARG 37 -15.115 11.180 8.306 290 HH21 ARG 37 HH21 ARG 37 -13.088 8.320 8.234 291 HH22 ARG 37 HH22 ARG 37 -13.112 10.055 8.293 292 H ASN 38 H ASN 38 -18.147 3.588 9.049 293 HA ASN 38 HA ASN 38 -15.719 3.006 10.431 294 HB2 ASN 38 HB2 ASN 38 -18.561 2.232 11.138 295 HB3 ASN 38 HB3 ASN 38 -17.177 2.073 12.206 296 HD21 ASN 38 HD21 ASN 38 -16.049 4.688 11.302 297 HD22 ASN 38 HD22 ASN 38 -17.032 5.879 12.066 298 H ASP 39 H ASP 39 -18.128 1.055 8.748 299 HA ASP 39 HA ASP 39 -16.899 -1.433 9.488 300 HB2 ASP 39 HB2 ASP 39 -19.261 -1.440 9.058 301 HB3 ASP 39 HB3 ASP 39 -19.024 -0.762 7.451 302 H MET 40 H MET 40 -17.227 0.288 6.375 303 HA MET 40 HA MET 40 -15.388 -1.587 5.153 304 HB2 MET 40 HB2 MET 40 -17.453 -0.749 4.010 305 HB3 MET 40 HB3 MET 40 -16.709 0.840 3.931 306 HG2 MET 40 HG2 MET 40 -14.957 0.002 2.512 307 HG3 MET 40 HG3 MET 40 -15.560 -1.644 2.680 308 HE1 MET 40 HE1 MET 40 -17.893 1.703 0.519 309 HE2 MET 40 HE2 MET 40 -16.356 1.955 1.347 310 HE3 MET 40 HE3 MET 40 -17.806 1.570 2.276 311 H ILE 41 H ILE 41 -15.072 1.182 6.914 312 HA ILE 41 HA ILE 41 -13.311 2.484 7.477 313 HB ILE 41 HB ILE 41 -11.688 0.795 5.570 314 HG12 ILE 41 HG12 ILE 41 -12.663 -0.557 7.353 315 HG13 ILE 41 HG13 ILE 41 -10.930 -0.381 7.603 316 HG21 ILE 41 HG21 ILE 41 -10.809 2.677 7.757 317 HG22 ILE 41 HG22 ILE 41 -10.625 2.935 6.022 318 HG23 ILE 41 HG23 ILE 41 -9.747 1.628 6.818 319 HD11 ILE 41 HD11 ILE 41 -12.097 -0.185 9.696 320 HD12 ILE 41 HD12 ILE 41 -13.110 1.104 9.050 321 HD13 ILE 41 HD13 ILE 41 -11.380 1.370 9.272 322 H SER 42 H SER 42 -12.443 1.847 4.097 323 HA SER 42 HA SER 42 -13.404 4.465 3.296 324 HB2 SER 42 HB2 SER 42 -10.487 3.686 2.995 325 HB3 SER 42 HB3 SER 42 -11.235 5.140 2.335 326 HG SER 42 HG SER 42 -11.784 4.987 4.946 327 H TYR 43 H TYR 43 -11.184 1.959 2.146 328 HA TYR 43 HA TYR 43 -11.174 0.563 0.382 329 HB2 TYR 43 HB2 TYR 43 -13.441 -0.061 1.175 330 HB3 TYR 43 HB3 TYR 43 -14.123 1.169 0.118 331 HD1 TYR 43 HD1 TYR 43 -14.524 0.706 -2.168 332 HD2 TYR 43 HD2 TYR 43 -12.190 -1.992 0.149 333 HE1 TYR 43 HE1 TYR 43 -14.598 -0.927 -4.004 334 HE2 TYR 43 HE2 TYR 43 -12.257 -3.631 -1.682 335 HH TYR 43 HH TYR 43 -13.624 -4.175 -3.621 336 H LYS 44 H LYS 44 -10.314 0.925 -1.534 337 HA LYS 44 HA LYS 44 -10.978 3.364 -2.952 338 HB2 LYS 44 HB2 LYS 44 -8.851 1.265 -3.304 339 HB3 LYS 44 HB3 LYS 44 -9.136 2.498 -4.522 340 HG2 LYS 44 HG2 LYS 44 -8.469 3.069 -1.644 341 HG3 LYS 44 HG3 LYS 44 -7.296 3.040 -2.962 342 HD2 LYS 44 HD2 LYS 44 -9.708 4.848 -2.844 343 HD3 LYS 44 HD3 LYS 44 -8.074 5.320 -2.386 344 HE2 LYS 44 HE2 LYS 44 -7.289 4.927 -4.640 345 HE3 LYS 44 HE3 LYS 44 -8.872 4.316 -5.117 346 HZ1 LYS 44 HZ1 LYS 44 -9.795 6.519 -4.632 347 HZ2 LYS 44 HZ2 LYS 44 -8.618 6.572 -5.844 348 HZ3 LYS 44 HZ3 LYS 44 -8.239 7.090 -4.282 349 H GLU 45 H GLU 45 -12.402 3.453 -4.500 350 HA GLU 45 HA GLU 45 -13.907 1.260 -5.395 351 HB2 GLU 45 HB2 GLU 45 -14.721 3.590 -5.328 352 HB3 GLU 45 HB3 GLU 45 -13.621 4.000 -6.621 353 HG2 GLU 45 HG2 GLU 45 -14.786 2.466 -8.111 354 HG3 GLU 45 HG3 GLU 45 -15.901 2.101 -6.806 355 H ASN 46 H ASN 46 -10.832 2.272 -6.295 356 HA ASN 46 HA ASN 46 -10.870 1.539 -9.056 357 HB2 ASN 46 HB2 ASN 46 -8.552 1.922 -7.151 358 HB3 ASN 46 HB3 ASN 46 -8.399 1.718 -8.892 359 HD21 ASN 46 HD21 ASN 46 -8.961 3.394 -10.252 360 HD22 ASN 46 HD22 ASN 46 -9.248 5.000 -9.679 361 H GLY 47 H GLY 47 -11.676 -0.452 -6.867 362 HA2 GLY 47 HA2 GLY 47 -11.739 -2.778 -6.973 363 HA3 GLY 47 HA3 GLY 47 -10.411 -2.731 -8.133 364 H ASP 48 H ASP 48 -10.267 -1.046 -5.104 365 HA ASP 48 HA ASP 48 -8.781 -1.082 -3.408 366 HB2 ASP 48 HB2 ASP 48 -9.906 -3.134 -2.752 367 HB3 ASP 48 HB3 ASP 48 -8.887 -4.065 -3.845 368 H VAL 49 H VAL 49 -6.824 -0.288 -3.620 369 HA VAL 49 HA VAL 49 -5.066 -1.516 -5.623 370 HB VAL 49 HB VAL 49 -4.091 0.895 -5.703 371 HG11 VAL 49 HG11 VAL 49 -5.736 1.488 -7.462 372 HG12 VAL 49 HG12 VAL 49 -6.747 0.148 -6.919 373 HG13 VAL 49 HG13 VAL 49 -5.148 -0.169 -7.592 374 HG21 VAL 49 HG21 VAL 49 -6.882 1.416 -4.678 375 HG22 VAL 49 HG22 VAL 49 -5.804 2.634 -5.348 376 HG23 VAL 49 HG23 VAL 49 -5.379 1.812 -3.845 377 H HIS 50 H HIS 50 -3.874 -2.770 -4.332 378 HA HIS 50 HA HIS 50 -2.308 -1.488 -2.193 379 HB2 HIS 50 HB2 HIS 50 -3.996 -3.182 -1.422 380 HB3 HIS 50 HB3 HIS 50 -3.165 -4.388 -2.391 381 HD1 HIS 50 HD1 HIS 50 -3.343 -3.135 0.944 382 HD2 HIS 50 HD2 HIS 50 -0.318 -4.676 -1.454 383 HE1 HIS 50 HE1 HIS 50 -1.555 -3.905 2.526 384 HE2 HIS 50 HE2 HIS 50 0.173 -5.005 1.064 385 H VAL 51 H VAL 51 -0.375 -1.094 -3.153 386 HA VAL 51 HA VAL 51 0.843 -3.303 -4.677 387 HB VAL 51 HB VAL 51 2.185 -1.465 -5.830 388 HG11 VAL 51 HG11 VAL 51 0.426 -2.701 -6.973 389 HG12 VAL 51 HG12 VAL 51 0.402 -1.001 -7.449 390 HG13 VAL 51 HG13 VAL 51 -0.788 -1.612 -6.300 391 HG21 VAL 51 HG21 VAL 51 -0.031 0.210 -4.691 392 HG22 VAL 51 HG22 VAL 51 1.100 0.722 -5.944 393 HG23 VAL 51 HG23 VAL 51 1.688 0.347 -4.325 394 H LEU 52 H LEU 52 2.923 -3.835 -4.293 395 HA LEU 52 HA LEU 52 4.181 -2.592 -1.952 396 HB2 LEU 52 HB2 LEU 52 4.761 -5.241 -3.286 397 HB3 LEU 52 HB3 LEU 52 5.525 -4.641 -1.822 398 HG LEU 52 HG LEU 52 2.590 -5.303 -2.107 399 HD11 LEU 52 HD11 LEU 52 4.037 -7.279 -2.182 400 HD12 LEU 52 HD12 LEU 52 3.075 -7.212 -0.707 401 HD13 LEU 52 HD13 LEU 52 4.781 -6.777 -0.664 402 HD21 LEU 52 HD21 LEU 52 2.513 -5.007 0.310 403 HD22 LEU 52 HD22 LEU 52 3.022 -3.520 -0.490 404 HD23 LEU 52 HD23 LEU 52 4.213 -4.539 0.316 405 H THR 53 H THR 53 6.100 -1.571 -2.128 406 HA THR 53 HA THR 53 7.716 -1.860 -4.516 407 HB THR 53 HB THR 53 5.973 -0.183 -5.139 408 HG1 THR 53 HG1 THR 53 7.826 1.569 -5.428 409 HG21 THR 53 HG21 THR 53 6.041 2.045 -4.132 410 HG22 THR 53 HG22 THR 53 7.255 1.493 -2.979 411 HG23 THR 53 HG23 THR 53 5.625 0.819 -2.933 412 H ILE 54 H ILE 54 9.530 -0.029 -4.327 413 HA ILE 54 HA ILE 54 10.670 -0.394 -1.672 414 HB ILE 54 HB ILE 54 11.720 -0.150 -4.363 415 HG12 ILE 54 HG12 ILE 54 12.991 -0.999 -1.756 416 HG13 ILE 54 HG13 ILE 54 12.054 -2.029 -2.814 417 HG21 ILE 54 HG21 ILE 54 12.321 2.124 -3.693 418 HG22 ILE 54 HG22 ILE 54 13.747 1.106 -3.889 419 HG23 ILE 54 HG23 ILE 54 13.150 1.485 -2.274 420 HD11 ILE 54 HD11 ILE 54 14.656 -0.707 -3.501 421 HD12 ILE 54 HD12 ILE 54 13.713 -1.739 -4.575 422 HD13 ILE 54 HD13 ILE 54 14.422 -2.409 -3.104 423 H CYS 55 H CYS 55 10.771 1.176 -0.205 424 HA CYS 55 HA CYS 55 9.611 3.724 -0.726 425 HB2 CYS 55 HB2 CYS 55 10.026 4.241 1.590 426 HB3 CYS 55 HB3 CYS 55 9.476 2.575 1.495 427 H GLU 56 H GLU 56 10.781 5.804 -0.207 428 HA GLU 56 HA GLU 56 12.877 6.201 -1.979 429 HB2 GLU 56 HB2 GLU 56 11.351 7.934 -0.943 430 HB3 GLU 56 HB3 GLU 56 12.328 7.834 0.512 431 HG2 GLU 56 HG2 GLU 56 13.046 9.727 -0.681 432 HG3 GLU 56 HG3 GLU 56 14.298 8.501 -0.869 433 H ASP 57 H ASP 57 12.938 5.519 1.489 434 HA ASP 57 HA ASP 57 15.697 5.886 1.889 435 HB2 ASP 57 HB2 ASP 57 14.138 5.799 3.751 436 HB3 ASP 57 HB3 ASP 57 13.751 4.121 3.381 437 H CYS 58 H CYS 58 13.833 2.920 1.216 438 HA CYS 58 HA CYS 58 15.983 1.148 1.041 439 HB2 CYS 58 HB2 CYS 58 13.277 1.219 -0.240 440 HB3 CYS 58 HB3 CYS 58 14.446 0.013 -0.759 441 H GLN 59 H GLN 59 14.405 3.026 -1.509 442 HA GLN 59 HA GLN 59 16.009 2.463 -3.670 443 HB2 GLN 59 HB2 GLN 59 14.105 3.765 -4.081 444 HB3 GLN 59 HB3 GLN 59 14.488 4.897 -2.800 445 HG2 GLN 59 HG2 GLN 59 14.755 5.928 -4.970 446 HG3 GLN 59 HG3 GLN 59 16.298 5.811 -4.137 447 HE21 GLN 59 HE21 GLN 59 14.770 3.088 -5.647 448 HE22 GLN 59 HE22 GLN 59 15.909 2.924 -6.920 449 H GLU 60 H GLU 60 16.556 4.850 -1.115 450 HA GLU 60 HA GLU 60 18.819 5.994 -2.295 451 HB2 GLU 60 HB2 GLU 60 17.395 6.115 0.262 452 HB3 GLU 60 HB3 GLU 60 19.097 6.436 0.370 453 HG2 GLU 60 HG2 GLU 60 18.839 8.171 -1.370 454 HG3 GLU 60 HG3 GLU 60 17.110 7.881 -1.282 455 H ALA 61 H ALA 61 18.415 3.510 0.179 456 HA ALA 61 HA ALA 61 21.189 3.220 0.742 457 HB1 ALA 61 HB1 ALA 61 19.490 2.522 2.347 458 HB2 ALA 61 HB2 ALA 61 20.503 1.153 1.890 459 HB3 ALA 61 HB3 ALA 61 18.884 1.320 1.208 460 H LEU 62 H LEU 62 18.908 1.897 -1.443 461 HA LEU 62 HA LEU 62 20.255 -0.298 -2.449 462 HB2 LEU 62 HB2 LEU 62 17.881 1.067 -2.844 463 HB3 LEU 62 HB3 LEU 62 18.701 1.206 -4.391 464 HG LEU 62 HG LEU 62 19.084 -1.310 -4.090 465 HD11 LEU 62 HD11 LEU 62 18.333 -1.562 -1.842 466 HD12 LEU 62 HD12 LEU 62 17.234 -2.446 -2.902 467 HD13 LEU 62 HD13 LEU 62 16.759 -0.880 -2.250 468 HD21 LEU 62 HD21 LEU 62 17.752 -0.366 -5.877 469 HD22 LEU 62 HD22 LEU 62 16.382 -0.191 -4.780 470 HD23 LEU 62 HD23 LEU 62 16.954 -1.799 -5.228 471 H ASP 63 H ASP 63 20.016 2.969 -3.814 472 HA ASP 63 HA ASP 63 21.920 2.504 -5.854 473 HB2 ASP 63 HB2 ASP 63 20.188 4.277 -5.959 474 HB3 ASP 63 HB3 ASP 63 21.052 5.162 -4.705 475 H ARG 64 H ARG 64 22.185 3.638 -2.567 476 HA ARG 64 HA ARG 64 24.869 4.590 -2.788 477 HB2 ARG 64 HB2 ARG 64 23.369 5.390 -1.034 478 HB3 ARG 64 HB3 ARG 64 23.239 3.767 -0.377 479 HG2 ARG 64 HG2 ARG 64 25.570 3.803 0.261 480 HG3 ARG 64 HG3 ARG 64 25.770 5.394 -0.479 481 HD2 ARG 64 HD2 ARG 64 24.238 6.376 1.091 482 HD3 ARG 64 HD3 ARG 64 23.840 4.794 1.755 483 HE ARG 64 HE ARG 64 26.621 5.313 1.976 484 HH11 ARG 64 HH11 ARG 64 23.536 6.204 3.377 485 HH12 ARG 64 HH12 ARG 64 24.194 6.506 4.951 486 HH21 ARG 64 HH21 ARG 64 27.487 5.705 4.059 487 HH22 ARG 64 HH22 ARG 64 26.440 6.221 5.342 488 H ASN 65 H ASN 65 23.401 1.595 -1.568 489 HA ASN 65 HA ASN 65 25.966 0.229 -1.952 490 HB2 ASN 65 HB2 ASN 65 25.914 0.788 0.408 491 HB3 ASN 65 HB3 ASN 65 24.288 0.136 0.554 492 HD21 ASN 65 HD21 ASN 65 24.918 -1.276 2.163 493 HD22 ASN 65 HD22 ASN 65 25.844 -2.696 1.832 494 HA PRO 66 HA PRO 66 22.989 -2.442 -4.054 495 HB2 PRO 66 HB2 PRO 66 25.444 -4.005 -4.539 496 HB3 PRO 66 HB3 PRO 66 24.284 -3.350 -5.696 497 HG2 PRO 66 HG2 PRO 66 26.741 -2.303 -5.384 498 HG3 PRO 66 HG3 PRO 66 25.338 -1.310 -5.802 499 HD2 PRO 66 HD2 PRO 66 26.750 -1.618 -3.196 500 HD3 PRO 66 HD3 PRO 66 25.987 -0.182 -3.908 501 H HIS 67 H HIS 67 25.288 -3.156 -1.571 502 HA HIS 67 HA HIS 67 24.133 -5.800 -1.062 503 HB2 HIS 67 HB2 HIS 67 26.485 -4.392 0.233 504 HB3 HIS 67 HB3 HIS 67 25.955 -6.026 0.608 505 HD1 HIS 67 HD1 HIS 67 27.084 -7.831 -0.668 506 HD2 HIS 67 HD2 HIS 67 27.363 -4.155 -2.592 507 HE1 HIS 67 HE1 HIS 67 28.576 -8.216 -2.655 508 HE2 HIS 67 HE2 HIS 67 28.850 -5.946 -3.715 509 H TYR 68 H TYR 68 22.241 -4.074 -0.684 510 HA TYR 68 HA TYR 68 22.117 -2.472 1.567 511 HB2 TYR 68 HB2 TYR 68 20.503 -2.442 -0.313 512 HB3 TYR 68 HB3 TYR 68 19.841 -3.968 0.249 513 HD1 TYR 68 HD1 TYR 68 20.744 -1.779 2.949 514 HD2 TYR 68 HD2 TYR 68 17.676 -2.625 0.125 515 HE1 TYR 68 HE1 TYR 68 19.133 -0.551 4.338 516 HE2 TYR 68 HE2 TYR 68 16.057 -1.400 1.509 517 HH TYR 68 HH TYR 68 17.023 0.574 4.142 518 H HIS 69 H HIS 69 22.386 -2.987 3.594 519 HA HIS 69 HA HIS 69 22.066 -5.610 4.655 520 HB2 HIS 69 HB2 HIS 69 23.706 -4.109 5.603 521 HB3 HIS 69 HB3 HIS 69 22.471 -2.916 5.964 522 HD1 HIS 69 HD1 HIS 69 21.470 -3.001 8.238 523 HD2 HIS 69 HD2 HIS 69 23.471 -6.514 7.270 524 HE1 HIS 69 HE1 HIS 69 21.501 -4.363 10.350 525 HE2 HIS 69 HE2 HIS 69 22.780 -6.455 9.762 526 H GLU 70 H GLU 70 20.082 -6.488 4.779 527 HA GLU 70 HA GLU 70 17.959 -4.846 6.003 528 HB2 GLU 70 HB2 GLU 70 17.679 -6.995 3.902 529 HB3 GLU 70 HB3 GLU 70 16.332 -6.218 4.722 530 HG2 GLU 70 HG2 GLU 70 17.229 -4.029 3.834 531 HG3 GLU 70 HG3 GLU 70 18.294 -4.994 2.812 532 H TYR 71 H TYR 71 20.020 -7.187 6.691 533 HA TYR 71 HA TYR 71 20.178 -8.732 8.341 534 HB2 TYR 71 HB2 TYR 71 18.780 -7.131 9.655 535 HB3 TYR 71 HB3 TYR 71 17.344 -7.973 9.088 536 HD1 TYR 71 HD1 TYR 71 20.163 -8.045 11.382 537 HD2 TYR 71 HD2 TYR 71 16.853 -10.256 9.885 538 HE1 TYR 71 HE1 TYR 71 20.330 -9.581 13.293 539 HE2 TYR 71 HE2 TYR 71 17.014 -11.797 11.794 540 HH TYR 71 HH TYR 71 18.886 -11.127 14.541 541 H HIS 72 H HIS 72 16.711 -9.038 7.644 542 HA HIS 72 HA HIS 72 15.436 -10.725 6.829 543 HB2 HIS 72 HB2 HIS 72 16.718 -10.274 4.782 544 HB3 HIS 72 HB3 HIS 72 17.941 -11.429 5.292 545 HD1 HIS 72 HD1 HIS 72 17.506 -13.882 4.833 546 HD2 HIS 72 HD2 HIS 72 14.241 -11.456 3.978 547 HE1 HIS 72 HE1 HIS 72 15.883 -15.347 3.598 548 HE2 HIS 72 HE2 HIS 72 13.842 -13.910 3.267 549 H THR 73 H THR 73 15.074 -11.886 8.684 550 HA THR 73 HA THR 73 16.885 -13.744 9.802 551 HB THR 73 HB THR 73 13.872 -13.831 10.041 552 HG1 THR 73 HG1 THR 73 15.184 -11.753 10.567 553 HG21 THR 73 HG21 THR 73 14.352 -14.800 12.246 554 HG22 THR 73 HG22 THR 73 16.080 -14.718 11.905 555 HG23 THR 73 HG23 THR 73 15.043 -15.778 10.952 Start of MODEL 3 1 H1 GLN -1 H1 GLN -1 -6.735 14.954 -3.288 2 H2 GLN -1 H2 GLN -1 -6.202 13.700 -2.285 3 H3 GLN -1 H3 GLN -1 -7.831 14.163 -2.271 4 HA GLN -1 HA GLN -1 -7.580 12.125 -3.498 5 HB2 GLN -1 HB2 GLN -1 -8.067 14.458 -5.359 6 HB3 GLN -1 HB3 GLN -1 -8.652 12.819 -5.574 7 HG2 GLN -1 HG2 GLN -1 -10.103 13.035 -3.669 8 HG3 GLN -1 HG3 GLN -1 -9.446 14.631 -3.309 9 HE21 GLN -1 HE21 GLN -1 -9.319 15.363 -6.150 10 HE22 GLN -1 HE22 GLN -1 -10.949 15.693 -6.625 11 H SER 0 H SER 0 -5.029 12.116 -3.218 12 HA SER 0 HA SER 0 -3.853 12.465 -5.901 13 HB2 SER 0 HB2 SER 0 -2.235 12.638 -3.373 14 HB3 SER 0 HB3 SER 0 -1.877 13.307 -4.967 15 HG SER 0 HG SER 0 -3.781 14.206 -3.061 16 H MET 1 H MET 1 -5.092 10.085 -5.184 17 HA MET 1 HA MET 1 -2.835 8.272 -5.242 18 HB2 MET 1 HB2 MET 1 -3.776 6.840 -3.427 19 HB3 MET 1 HB3 MET 1 -3.160 8.386 -2.871 20 HG2 MET 1 HG2 MET 1 -5.143 8.057 -1.690 21 HG3 MET 1 HG3 MET 1 -5.556 9.208 -2.955 22 HE1 MET 1 HE1 MET 1 -5.879 5.551 -1.647 23 HE2 MET 1 HE2 MET 1 -5.101 5.265 -3.203 24 HE3 MET 1 HE3 MET 1 -6.767 4.751 -2.943 25 H ALA 2 H ALA 2 -3.415 6.102 -5.824 26 HA ALA 2 HA ALA 2 -6.135 5.700 -6.813 27 HB1 ALA 2 HB1 ALA 2 -3.665 5.227 -8.477 28 HB2 ALA 2 HB2 ALA 2 -4.868 6.488 -8.746 29 HB3 ALA 2 HB3 ALA 2 -5.312 4.793 -8.935 30 H LEU 3 H LEU 3 -2.957 4.249 -6.538 31 HA LEU 3 HA LEU 3 -4.167 1.795 -5.426 32 HB2 LEU 3 HB2 LEU 3 -1.496 2.229 -6.772 33 HB3 LEU 3 HB3 LEU 3 -1.935 0.762 -5.945 34 HG LEU 3 HG LEU 3 -3.910 0.651 -7.585 35 HD11 LEU 3 HD11 LEU 3 -2.081 2.568 -8.978 36 HD12 LEU 3 HD12 LEU 3 -3.714 2.895 -8.405 37 HD13 LEU 3 HD13 LEU 3 -3.454 1.747 -9.719 38 HD21 LEU 3 HD21 LEU 3 -2.533 -0.489 -9.236 39 HD22 LEU 3 HD22 LEU 3 -2.005 -0.885 -7.601 40 HD23 LEU 3 HD23 LEU 3 -1.086 0.267 -8.569 41 H HIS 4 H HIS 4 -3.046 0.853 -3.609 42 HA HIS 4 HA HIS 4 -1.983 2.946 -1.877 43 HB2 HIS 4 HB2 HIS 4 -2.698 0.077 -1.296 44 HB3 HIS 4 HB3 HIS 4 -2.059 1.187 -0.102 45 HD1 HIS 4 HD1 HIS 4 -5.165 -0.054 -1.417 46 HD2 HIS 4 HD2 HIS 4 -3.856 3.521 0.260 47 HE1 HIS 4 HE1 HIS 4 -7.249 1.175 -0.720 48 HE2 HIS 4 HE2 HIS 4 -6.435 3.324 0.310 49 H TYR 5 H TYR 5 0.042 3.256 -1.655 50 HA TYR 5 HA TYR 5 1.958 1.357 -2.741 51 HB2 TYR 5 HB2 TYR 5 1.947 4.273 -2.164 52 HB3 TYR 5 HB3 TYR 5 3.491 3.437 -2.011 53 HD1 TYR 5 HD1 TYR 5 4.376 4.865 -3.760 54 HD2 TYR 5 HD2 TYR 5 1.134 2.223 -4.526 55 HE1 TYR 5 HE1 TYR 5 4.777 5.084 -6.168 56 HE2 TYR 5 HE2 TYR 5 1.512 2.443 -6.941 57 HH TYR 5 HH TYR 5 4.336 3.838 -8.234 58 H TYR 6 H TYR 6 2.804 -0.078 -1.397 59 HA TYR 6 HA TYR 6 3.490 0.881 1.290 60 HB2 TYR 6 HB2 TYR 6 2.529 -1.856 0.466 61 HB3 TYR 6 HB3 TYR 6 3.323 -1.541 2.009 62 HD1 TYR 6 HD1 TYR 6 0.233 -1.500 0.240 63 HD2 TYR 6 HD2 TYR 6 2.290 0.264 3.529 64 HE1 TYR 6 HE1 TYR 6 -1.912 -0.777 1.191 65 HE2 TYR 6 HE2 TYR 6 0.140 0.980 4.487 66 HH TYR 6 HH TYR 6 -2.141 1.461 3.738 67 H CYS 7 H CYS 7 5.434 0.265 2.125 68 HA CYS 7 HA CYS 7 7.456 0.131 0.102 69 HB2 CYS 7 HB2 CYS 7 8.116 1.671 1.658 70 HB3 CYS 7 HB3 CYS 7 7.208 0.880 2.921 71 H ARG 8 H ARG 8 8.201 -1.656 -0.614 72 HA ARG 8 HA ARG 8 8.334 -4.116 0.691 73 HB2 ARG 8 HB2 ARG 8 10.250 -4.573 -0.920 74 HB3 ARG 8 HB3 ARG 8 8.713 -4.130 -1.645 75 HG2 ARG 8 HG2 ARG 8 9.555 -1.821 -1.941 76 HG3 ARG 8 HG3 ARG 8 11.108 -2.335 -1.278 77 HD2 ARG 8 HD2 ARG 8 9.960 -3.854 -3.556 78 HD3 ARG 8 HD3 ARG 8 10.640 -2.265 -3.877 79 HE ARG 8 HE ARG 8 12.728 -3.112 -2.877 80 HH11 ARG 8 HH11 ARG 8 10.372 -5.365 -4.157 81 HH12 ARG 8 HH12 ARG 8 11.522 -6.636 -4.399 82 HH21 ARG 8 HH21 ARG 8 14.258 -4.785 -3.209 83 HH22 ARG 8 HH22 ARG 8 13.739 -6.311 -3.850 84 H HIS 9 H HIS 9 9.373 -4.652 2.423 85 HA HIS 9 HA HIS 9 11.239 -5.302 3.587 86 HB2 HIS 9 HB2 HIS 9 12.648 -4.759 1.619 87 HB3 HIS 9 HB3 HIS 9 12.768 -3.102 2.194 88 HD1 HIS 9 HD1 HIS 9 14.204 -6.466 2.629 89 HD2 HIS 9 HD2 HIS 9 14.325 -2.807 4.594 90 HE1 HIS 9 HE1 HIS 9 16.168 -6.603 4.195 91 HE2 HIS 9 HE2 HIS 9 16.125 -4.435 5.480 92 H CYS 10 H CYS 10 11.120 -1.677 3.349 93 HA CYS 10 HA CYS 10 12.007 -1.611 6.111 94 HB2 CYS 10 HB2 CYS 10 11.137 0.960 4.966 95 HB3 CYS 10 HB3 CYS 10 12.616 0.548 5.815 96 H GLY 11 H GLY 11 9.009 -1.395 4.394 97 HA2 GLY 11 HA2 GLY 11 6.942 -1.880 5.331 98 HA3 GLY 11 HA3 GLY 11 7.649 -1.680 6.937 99 H VAL 12 H VAL 12 8.057 0.905 4.630 100 HA VAL 12 HA VAL 12 6.306 2.509 6.268 101 HB VAL 12 HB VAL 12 8.357 3.570 6.081 102 HG11 VAL 12 HG11 VAL 12 9.275 2.289 4.231 103 HG12 VAL 12 HG12 VAL 12 9.500 4.017 3.968 104 HG13 VAL 12 HG13 VAL 12 8.232 3.153 3.104 105 HG21 VAL 12 HG21 VAL 12 6.580 4.848 4.027 106 HG22 VAL 12 HG22 VAL 12 7.914 5.634 4.869 107 HG23 VAL 12 HG23 VAL 12 6.496 5.095 5.769 108 H LYS 13 H LYS 13 4.535 3.546 5.622 109 HA LYS 13 HA LYS 13 3.268 2.523 3.244 110 HB2 LYS 13 HB2 LYS 13 2.214 4.634 5.122 111 HB3 LYS 13 HB3 LYS 13 1.288 3.664 3.999 112 HG2 LYS 13 HG2 LYS 13 0.833 2.735 6.072 113 HG3 LYS 13 HG3 LYS 13 2.050 1.658 5.397 114 HD2 LYS 13 HD2 LYS 13 3.749 2.590 6.771 115 HD3 LYS 13 HD3 LYS 13 2.715 3.936 7.250 116 HE2 LYS 13 HE2 LYS 13 2.216 1.042 7.932 117 HE3 LYS 13 HE3 LYS 13 2.962 2.219 9.011 118 HZ1 LYS 13 HZ1 LYS 13 0.934 3.521 8.938 119 HZ2 LYS 13 HZ2 LYS 13 0.603 1.953 9.471 120 HZ3 LYS 13 HZ3 LYS 13 0.219 2.405 7.890 121 H VAL 14 H VAL 14 3.811 3.390 1.340 122 HA VAL 14 HA VAL 14 4.706 6.169 1.228 123 HB VAL 14 HB VAL 14 4.882 5.097 -1.358 124 HG11 VAL 14 HG11 VAL 14 6.985 5.412 0.774 125 HG12 VAL 14 HG12 VAL 14 6.456 6.640 -0.375 126 HG13 VAL 14 HG13 VAL 14 7.302 5.205 -0.949 127 HG21 VAL 14 HG21 VAL 14 6.172 3.054 -1.082 128 HG22 VAL 14 HG22 VAL 14 4.544 2.850 -0.439 129 HG23 VAL 14 HG23 VAL 14 5.903 3.099 0.659 130 H GLY 15 H GLY 15 1.837 4.566 0.864 131 HA2 GLY 15 HA2 GLY 15 0.938 6.223 -1.390 132 HA3 GLY 15 HA3 GLY 15 0.101 4.816 -0.758 133 H SER 16 H SER 16 1.174 6.690 1.772 134 HA SER 16 HA SER 16 -1.388 8.115 1.914 135 HB2 SER 16 HB2 SER 16 -1.197 7.578 4.456 136 HB3 SER 16 HB3 SER 16 -1.797 6.336 3.357 137 HG SER 16 HG SER 16 0.781 6.574 4.511 138 H LEU 17 H LEU 17 -0.294 10.011 1.277 139 HA LEU 17 HA LEU 17 1.448 11.132 3.365 140 HB2 LEU 17 HB2 LEU 17 2.322 12.676 1.691 141 HB3 LEU 17 HB3 LEU 17 2.577 11.013 1.203 142 HG LEU 17 HG LEU 17 0.160 12.421 0.170 143 HD11 LEU 17 HD11 LEU 17 1.917 14.061 -0.150 144 HD12 LEU 17 HD12 LEU 17 1.470 13.330 -1.690 145 HD13 LEU 17 HD13 LEU 17 2.954 12.835 -0.878 146 HD21 LEU 17 HD21 LEU 17 0.554 10.046 -0.320 147 HD22 LEU 17 HD22 LEU 17 2.102 10.464 -1.053 148 HD23 LEU 17 HD23 LEU 17 0.601 11.036 -1.779 149 H GLU 18 H GLU 18 -1.502 11.277 1.764 150 HA GLU 18 HA GLU 18 -2.093 14.021 2.349 151 HB2 GLU 18 HB2 GLU 18 -3.891 11.774 1.431 152 HB3 GLU 18 HB3 GLU 18 -4.364 13.465 1.535 153 HG2 GLU 18 HG2 GLU 18 -2.711 14.052 -0.142 154 HG3 GLU 18 HG3 GLU 18 -2.175 12.376 -0.222 155 H SER 19 H SER 19 -1.450 13.625 4.661 156 HA SER 19 HA SER 19 -3.851 12.891 6.201 157 HB2 SER 19 HB2 SER 19 -2.279 12.332 8.075 158 HB3 SER 19 HB3 SER 19 -2.125 11.268 6.678 159 HG SER 19 HG SER 19 -0.138 12.217 7.707 160 H SER 20 H SER 20 -3.750 14.014 8.450 161 HA SER 20 HA SER 20 -3.740 15.891 9.718 162 HB2 SER 20 HB2 SER 20 -1.336 16.098 9.226 163 HB3 SER 20 HB3 SER 20 -1.713 16.971 7.744 164 HG SER 20 HG SER 20 -2.613 17.865 10.276 165 H MET 21 H MET 21 -3.979 16.340 6.246 166 HA MET 21 HA MET 21 -5.700 18.665 6.544 167 HB2 MET 21 HB2 MET 21 -4.803 17.167 4.080 168 HB3 MET 21 HB3 MET 21 -5.715 18.666 4.083 169 HG2 MET 21 HG2 MET 21 -3.853 19.808 5.161 170 HG3 MET 21 HG3 MET 21 -2.944 18.300 5.198 171 HE1 MET 21 HE1 MET 21 -4.030 20.632 1.370 172 HE2 MET 21 HE2 MET 21 -4.423 21.156 3.007 173 HE3 MET 21 HE3 MET 21 -5.238 19.757 2.308 174 H VAL 22 H VAL 22 -6.284 15.704 7.221 175 HA VAL 22 HA VAL 22 -9.017 15.745 6.216 176 HB VAL 22 HB VAL 22 -7.888 14.364 4.579 177 HG11 VAL 22 HG11 VAL 22 -5.921 13.753 5.880 178 HG12 VAL 22 HG12 VAL 22 -6.688 12.325 5.185 179 HG13 VAL 22 HG13 VAL 22 -6.908 12.700 6.894 180 HG21 VAL 22 HG21 VAL 22 -9.437 12.648 6.514 181 HG22 VAL 22 HG22 VAL 22 -9.128 12.272 4.820 182 HG23 VAL 22 HG23 VAL 22 -10.125 13.662 5.247 183 H SER 23 H SER 23 -10.436 15.216 7.777 184 HA SER 23 HA SER 23 -9.407 13.791 10.145 185 HB2 SER 23 HB2 SER 23 -10.084 16.235 10.419 186 HB3 SER 23 HB3 SER 23 -11.738 15.711 10.131 187 HG SER 23 HG SER 23 -10.022 14.802 12.210 188 H THR 24 H THR 24 -10.778 13.049 7.540 189 HA THR 24 HA THR 24 -12.779 11.280 8.747 190 HB THR 24 HB THR 24 -13.067 12.628 6.051 191 HG1 THR 24 HG1 THR 24 -14.744 13.044 8.298 192 HG21 THR 24 HG21 THR 24 -14.939 10.829 7.598 193 HG22 THR 24 HG22 THR 24 -14.102 10.426 6.100 194 HG23 THR 24 HG23 THR 24 -15.345 11.677 6.105 195 H ASP 25 H ASP 25 -11.169 9.655 8.790 196 HA ASP 25 HA ASP 25 -10.139 8.709 6.225 197 HB2 ASP 25 HB2 ASP 25 -9.660 7.842 9.078 198 HB3 ASP 25 HB3 ASP 25 -9.101 6.891 7.708 199 H SER 26 H SER 26 -12.429 7.952 8.710 200 HA SER 26 HA SER 26 -13.248 5.416 7.793 201 HB2 SER 26 HB2 SER 26 -13.752 6.342 10.046 202 HB3 SER 26 HB3 SER 26 -14.839 7.508 9.297 203 HG SER 26 HG SER 26 -15.139 4.741 9.636 204 H LEU 27 H LEU 27 -13.798 5.189 5.724 205 HA LEU 27 HA LEU 27 -14.818 5.401 3.729 206 HB2 LEU 27 HB2 LEU 27 -16.862 7.013 5.251 207 HB3 LEU 27 HB3 LEU 27 -17.054 6.410 3.614 208 HG LEU 27 HG LEU 27 -16.905 4.808 6.157 209 HD11 LEU 27 HD11 LEU 27 -18.975 5.024 3.990 210 HD12 LEU 27 HD12 LEU 27 -19.072 5.748 5.594 211 HD13 LEU 27 HD13 LEU 27 -19.077 3.993 5.418 212 HD21 LEU 27 HD21 LEU 27 -15.549 3.632 4.557 213 HD22 LEU 27 HD22 LEU 27 -16.776 3.831 3.308 214 HD23 LEU 27 HD23 LEU 27 -17.099 2.806 4.706 215 H GLY 28 H GLY 28 -13.439 6.460 2.549 216 HA2 GLY 28 HA2 GLY 28 -12.988 9.305 3.038 217 HA3 GLY 28 HA3 GLY 28 -11.940 8.235 2.122 218 H PHE 29 H PHE 29 -15.076 9.864 2.032 219 HA PHE 29 HA PHE 29 -14.516 10.614 -0.709 220 HB2 PHE 29 HB2 PHE 29 -16.625 9.939 -1.604 221 HB3 PHE 29 HB3 PHE 29 -15.935 8.531 -0.819 222 HD1 PHE 29 HD1 PHE 29 -16.702 8.237 1.716 223 HD2 PHE 29 HD2 PHE 29 -18.822 10.411 -1.260 224 HE1 PHE 29 HE1 PHE 29 -18.785 7.947 2.987 225 HE2 PHE 29 HE2 PHE 29 -20.904 10.129 -0.005 226 HZ PHE 29 HZ PHE 29 -20.893 8.891 2.132 227 H GLN 30 H GLN 30 -16.946 11.855 -1.228 228 HA GLN 30 HA GLN 30 -17.225 13.735 0.993 229 HB2 GLN 30 HB2 GLN 30 -17.077 15.579 -0.898 230 HB3 GLN 30 HB3 GLN 30 -15.655 14.988 -0.060 231 HG2 GLN 30 HG2 GLN 30 -15.093 13.549 -1.879 232 HG3 GLN 30 HG3 GLN 30 -16.603 13.930 -2.702 233 HE21 GLN 30 HE21 GLN 30 -14.715 16.381 -1.056 234 HE22 GLN 30 HE22 GLN 30 -14.181 17.189 -2.485 235 H HIS 31 H HIS 31 -18.273 12.932 -2.273 236 HA HIS 31 HA HIS 31 -20.988 12.766 -1.439 237 HB2 HIS 31 HB2 HIS 31 -20.902 15.213 -1.665 238 HB3 HIS 31 HB3 HIS 31 -20.287 15.048 -3.304 239 HD1 HIS 31 HD1 HIS 31 -21.968 14.838 -5.149 240 HD2 HIS 31 HD2 HIS 31 -23.670 14.284 -1.395 241 HE1 HIS 31 HE1 HIS 31 -24.445 14.710 -5.543 242 HE2 HIS 31 HE2 HIS 31 -25.434 14.204 -3.284 243 H LEU 32 H LEU 32 -21.325 10.884 -2.384 244 HA LEU 32 HA LEU 32 -20.695 10.631 -5.241 245 HB2 LEU 32 HB2 LEU 32 -20.113 8.598 -3.084 246 HB3 LEU 32 HB3 LEU 32 -19.959 8.306 -4.792 247 HG LEU 32 HG LEU 32 -18.272 10.114 -3.099 248 HD11 LEU 32 HD11 LEU 32 -17.699 7.675 -4.762 249 HD12 LEU 32 HD12 LEU 32 -17.717 7.770 -3.000 250 HD13 LEU 32 HD13 LEU 32 -16.486 8.637 -3.920 251 HD21 LEU 32 HD21 LEU 32 -17.039 10.669 -5.134 252 HD22 LEU 32 HD22 LEU 32 -18.701 11.251 -5.207 253 HD23 LEU 32 HD23 LEU 32 -18.236 9.802 -6.099 254 H THR 33 H THR 33 -22.021 9.053 -6.363 255 HA THR 33 HA THR 33 -24.446 8.282 -4.872 256 HB THR 33 HB THR 33 -24.324 9.583 -7.595 257 HG1 THR 33 HG1 THR 33 -25.190 10.368 -5.028 258 HG21 THR 33 HG21 THR 33 -26.730 8.455 -6.170 259 HG22 THR 33 HG22 THR 33 -25.942 7.742 -7.579 260 HG23 THR 33 HG23 THR 33 -26.731 9.313 -7.710 261 H ASN 34 H ASN 34 -23.696 7.882 -8.322 262 HA ASN 34 HA ASN 34 -23.970 5.008 -8.075 263 HB2 ASN 34 HB2 ASN 34 -23.569 4.965 -10.514 264 HB3 ASN 34 HB3 ASN 34 -24.854 6.086 -10.093 265 HD21 ASN 34 HD21 ASN 34 -24.565 8.265 -10.429 266 HD22 ASN 34 HD22 ASN 34 -23.233 8.902 -11.332 267 H GLU 35 H GLU 35 -21.584 7.436 -8.183 268 HA GLU 35 HA GLU 35 -19.261 5.849 -8.606 269 HB2 GLU 35 HB2 GLU 35 -19.355 8.249 -6.801 270 HB3 GLU 35 HB3 GLU 35 -18.036 7.701 -7.821 271 HG2 GLU 35 HG2 GLU 35 -18.731 9.436 -9.027 272 HG3 GLU 35 HG3 GLU 35 -19.782 8.223 -9.729 273 H GLU 36 H GLU 36 -21.029 6.953 -5.827 274 HA GLU 36 HA GLU 36 -19.680 5.904 -3.683 275 HB2 GLU 36 HB2 GLU 36 -21.681 7.191 -3.355 276 HB3 GLU 36 HB3 GLU 36 -22.649 6.023 -4.234 277 HG2 GLU 36 HG2 GLU 36 -23.205 5.661 -2.015 278 HG3 GLU 36 HG3 GLU 36 -22.042 4.387 -2.367 279 H ARG 37 H ARG 37 -21.896 4.211 -5.844 280 HA ARG 37 HA ARG 37 -21.840 1.729 -4.502 281 HB2 ARG 37 HB2 ARG 37 -22.473 2.391 -7.381 282 HB3 ARG 37 HB3 ARG 37 -22.789 0.841 -6.620 283 HG2 ARG 37 HG2 ARG 37 -24.298 1.944 -5.028 284 HG3 ARG 37 HG3 ARG 37 -24.000 3.483 -5.838 285 HD2 ARG 37 HD2 ARG 37 -26.089 2.511 -6.597 286 HD3 ARG 37 HD3 ARG 37 -24.917 2.557 -7.912 287 HE ARG 37 HE ARG 37 -24.764 0.064 -6.617 288 HH11 ARG 37 HH11 ARG 37 -26.897 1.888 -8.701 289 HH12 ARG 37 HH12 ARG 37 -27.600 0.482 -9.430 290 HH21 ARG 37 HH21 ARG 37 -25.684 -1.793 -7.567 291 HH22 ARG 37 HH22 ARG 37 -26.910 -1.618 -8.782 292 H ASN 38 H ASN 38 -19.957 3.034 -7.202 293 HA ASN 38 HA ASN 38 -18.590 0.551 -7.667 294 HB2 ASN 38 HB2 ASN 38 -19.032 2.067 -9.524 295 HB3 ASN 38 HB3 ASN 38 -18.066 3.322 -8.755 296 HD21 ASN 38 HD21 ASN 38 -15.877 3.286 -8.961 297 HD22 ASN 38 HD22 ASN 38 -15.019 2.115 -9.902 298 H ASP 39 H ASP 39 -17.768 3.624 -6.137 299 HA ASP 39 HA ASP 39 -15.014 3.027 -5.804 300 HB2 ASP 39 HB2 ASP 39 -16.837 5.145 -4.727 301 HB3 ASP 39 HB3 ASP 39 -15.212 4.967 -4.073 302 H MET 40 H MET 40 -17.847 2.365 -3.893 303 HA MET 40 HA MET 40 -16.341 1.775 -1.510 304 HB2 MET 40 HB2 MET 40 -18.766 2.572 -1.605 305 HB3 MET 40 HB3 MET 40 -19.180 0.929 -2.076 306 HG2 MET 40 HG2 MET 40 -19.486 1.365 0.329 307 HG3 MET 40 HG3 MET 40 -18.348 0.061 -0.003 308 HE1 MET 40 HE1 MET 40 -16.996 4.318 1.174 309 HE2 MET 40 HE2 MET 40 -18.674 3.875 0.860 310 HE3 MET 40 HE3 MET 40 -17.504 3.886 -0.458 311 H ILE 41 H ILE 41 -15.822 0.359 -4.114 312 HA ILE 41 HA ILE 41 -16.201 -2.411 -3.205 313 HB ILE 41 HB ILE 41 -15.509 -1.370 -5.953 314 HG12 ILE 41 HG12 ILE 41 -17.838 -0.944 -5.247 315 HG13 ILE 41 HG13 ILE 41 -17.728 -2.067 -6.591 316 HG21 ILE 41 HG21 ILE 41 -14.472 -3.524 -5.540 317 HG22 ILE 41 HG22 ILE 41 -15.793 -3.683 -6.700 318 HG23 ILE 41 HG23 ILE 41 -16.023 -4.190 -5.027 319 HD11 ILE 41 HD11 ILE 41 -18.083 -3.935 -5.053 320 HD12 ILE 41 HD12 ILE 41 -19.408 -2.774 -4.987 321 HD13 ILE 41 HD13 ILE 41 -18.193 -2.798 -3.710 322 H SER 42 H SER 42 -13.785 -0.783 -5.250 323 HA SER 42 HA SER 42 -11.721 -2.347 -3.864 324 HB2 SER 42 HB2 SER 42 -11.581 -1.078 -6.604 325 HB3 SER 42 HB3 SER 42 -10.453 -2.242 -5.911 326 HG SER 42 HG SER 42 -12.498 -3.596 -5.745 327 H TYR 43 H TYR 43 -12.911 0.770 -4.310 328 HA TYR 43 HA TYR 43 -10.362 2.120 -3.974 329 HB2 TYR 43 HB2 TYR 43 -11.851 3.275 -5.379 330 HB3 TYR 43 HB3 TYR 43 -13.207 3.040 -4.286 331 HD1 TYR 43 HD1 TYR 43 -10.065 4.934 -4.782 332 HD2 TYR 43 HD2 TYR 43 -13.700 4.613 -2.597 333 HE1 TYR 43 HE1 TYR 43 -9.689 7.171 -3.833 334 HE2 TYR 43 HE2 TYR 43 -13.335 6.841 -1.638 335 HH TYR 43 HH TYR 43 -11.696 8.447 -1.270 336 H LYS 44 H LYS 44 -12.736 0.804 -1.944 337 HA LYS 44 HA LYS 44 -12.580 2.700 0.179 338 HB2 LYS 44 HB2 LYS 44 -13.899 1.096 1.452 339 HB3 LYS 44 HB3 LYS 44 -14.567 1.334 -0.150 340 HG2 LYS 44 HG2 LYS 44 -13.588 -0.771 -0.888 341 HG3 LYS 44 HG3 LYS 44 -12.887 -1.012 0.715 342 HD2 LYS 44 HD2 LYS 44 -15.108 -1.076 1.700 343 HD3 LYS 44 HD3 LYS 44 -15.835 -0.762 0.123 344 HE2 LYS 44 HE2 LYS 44 -14.865 -2.874 -0.706 345 HE3 LYS 44 HE3 LYS 44 -14.229 -3.192 0.908 346 HZ1 LYS 44 HZ1 LYS 44 -17.097 -2.932 0.179 347 HZ2 LYS 44 HZ2 LYS 44 -16.513 -3.174 1.746 348 HZ3 LYS 44 HZ3 LYS 44 -16.292 -4.367 0.567 349 H GLU 45 H GLU 45 -12.248 1.480 2.491 350 HA GLU 45 HA GLU 45 -9.425 1.621 2.661 351 HB2 GLU 45 HB2 GLU 45 -11.034 2.526 4.335 352 HB3 GLU 45 HB3 GLU 45 -11.356 0.886 4.855 353 HG2 GLU 45 HG2 GLU 45 -9.075 0.643 5.531 354 HG3 GLU 45 HG3 GLU 45 -8.682 2.245 4.931 355 H ASN 46 H ASN 46 -11.445 -1.060 2.139 356 HA ASN 46 HA ASN 46 -10.143 -3.106 3.520 357 HB2 ASN 46 HB2 ASN 46 -12.242 -3.394 2.204 358 HB3 ASN 46 HB3 ASN 46 -11.295 -3.281 0.728 359 HD21 ASN 46 HD21 ASN 46 -11.758 -5.315 -0.004 360 HD22 ASN 46 HD22 ASN 46 -11.193 -6.754 0.774 361 H GLY 47 H GLY 47 -9.165 -1.275 0.750 362 HA2 GLY 47 HA2 GLY 47 -6.814 -0.817 0.623 363 HA3 GLY 47 HA3 GLY 47 -6.510 -2.491 1.087 364 H ASP 48 H ASP 48 -8.379 -3.652 -0.764 365 HA ASP 48 HA ASP 48 -7.810 -4.852 -2.685 366 HB2 ASP 48 HB2 ASP 48 -9.816 -3.594 -3.146 367 HB3 ASP 48 HB3 ASP 48 -8.869 -2.203 -3.660 368 H VAL 49 H VAL 49 -7.053 -1.720 -4.123 369 HA VAL 49 HA VAL 49 -4.837 -2.633 -5.551 370 HB VAL 49 HB VAL 49 -4.313 -0.109 -5.731 371 HG11 VAL 49 HG11 VAL 49 -6.181 0.225 -7.304 372 HG12 VAL 49 HG12 VAL 49 -6.967 -1.211 -6.645 373 HG13 VAL 49 HG13 VAL 49 -5.423 -1.356 -7.483 374 HG21 VAL 49 HG21 VAL 49 -5.576 0.554 -3.680 375 HG22 VAL 49 HG22 VAL 49 -7.074 0.122 -4.505 376 HG23 VAL 49 HG23 VAL 49 -6.084 1.429 -5.123 377 H HIS 50 H HIS 50 -3.333 -3.631 -4.314 378 HA HIS 50 HA HIS 50 -1.922 -2.009 -2.299 379 HB2 HIS 50 HB2 HIS 50 -3.307 -3.840 -1.307 380 HB3 HIS 50 HB3 HIS 50 -2.389 -5.003 -2.250 381 HD1 HIS 50 HD1 HIS 50 -2.573 -3.716 1.022 382 HD2 HIS 50 HD2 HIS 50 0.565 -4.717 -1.506 383 HE1 HIS 50 HE1 HIS 50 -0.596 -4.100 2.521 384 HE2 HIS 50 HE2 HIS 50 1.213 -4.934 0.988 385 H VAL 51 H VAL 51 -0.058 -1.450 -3.281 386 HA VAL 51 HA VAL 51 1.364 -3.560 -4.767 387 HB VAL 51 HB VAL 51 2.422 -1.646 -6.066 388 HG11 VAL 51 HG11 VAL 51 0.705 -3.117 -7.019 389 HG12 VAL 51 HG12 VAL 51 0.543 -1.460 -7.609 390 HG13 VAL 51 HG13 VAL 51 -0.549 -2.064 -6.361 391 HG21 VAL 51 HG21 VAL 51 0.116 -0.156 -4.846 392 HG22 VAL 51 HG22 VAL 51 1.088 0.411 -6.204 393 HG23 VAL 51 HG23 VAL 51 1.833 0.184 -4.621 394 H LEU 52 H LEU 52 3.438 -3.933 -4.305 395 HA LEU 52 HA LEU 52 4.649 -2.445 -2.102 396 HB2 LEU 52 HB2 LEU 52 5.325 -5.056 -3.444 397 HB3 LEU 52 HB3 LEU 52 6.444 -4.268 -2.350 398 HG LEU 52 HG LEU 52 5.265 -6.015 -1.182 399 HD11 LEU 52 HD11 LEU 52 4.214 -3.327 -0.315 400 HD12 LEU 52 HD12 LEU 52 5.809 -3.975 0.064 401 HD13 LEU 52 HD13 LEU 52 4.363 -4.770 0.686 402 HD21 LEU 52 HD21 LEU 52 2.842 -5.967 -0.867 403 HD22 LEU 52 HD22 LEU 52 3.273 -6.149 -2.567 404 HD23 LEU 52 HD23 LEU 52 2.727 -4.588 -1.958 405 H THR 53 H THR 53 5.903 -0.782 -2.585 406 HA THR 53 HA THR 53 7.402 -0.865 -5.122 407 HB THR 53 HB THR 53 5.420 0.645 -5.241 408 HG1 THR 53 HG1 THR 53 7.374 1.087 -6.442 409 HG21 THR 53 HG21 THR 53 5.446 2.743 -3.977 410 HG22 THR 53 HG22 THR 53 6.888 2.207 -3.115 411 HG23 THR 53 HG23 THR 53 5.362 1.347 -2.900 412 H ILE 54 H ILE 54 9.126 0.920 -5.107 413 HA ILE 54 HA ILE 54 10.752 0.547 -2.740 414 HB ILE 54 HB ILE 54 11.222 1.491 -5.525 415 HG12 ILE 54 HG12 ILE 54 12.950 -0.195 -3.743 416 HG13 ILE 54 HG13 ILE 54 11.610 -0.840 -4.657 417 HG21 ILE 54 HG21 ILE 54 12.152 3.330 -4.188 418 HG22 ILE 54 HG22 ILE 54 13.403 2.410 -5.024 419 HG23 ILE 54 HG23 ILE 54 13.132 2.163 -3.300 420 HD11 ILE 54 HD11 ILE 54 12.673 -0.090 -6.726 421 HD12 ILE 54 HD12 ILE 54 13.692 -1.206 -5.817 422 HD13 ILE 54 HD13 ILE 54 14.030 0.525 -5.784 423 H CYS 55 H CYS 55 10.398 1.837 -1.085 424 HA CYS 55 HA CYS 55 9.493 4.547 -1.369 425 HB2 CYS 55 HB2 CYS 55 9.428 4.627 0.980 426 HB3 CYS 55 HB3 CYS 55 9.071 2.945 0.625 427 H GLU 56 H GLU 56 10.979 6.243 0.005 428 HA GLU 56 HA GLU 56 13.346 6.494 -1.536 429 HB2 GLU 56 HB2 GLU 56 13.836 8.402 -0.040 430 HB3 GLU 56 HB3 GLU 56 12.208 8.451 -0.685 431 HG2 GLU 56 HG2 GLU 56 11.446 7.434 1.482 432 HG3 GLU 56 HG3 GLU 56 13.072 7.726 2.095 433 H ASP 57 H ASP 57 12.697 5.150 1.655 434 HA ASP 57 HA ASP 57 15.438 4.849 2.388 435 HB2 ASP 57 HB2 ASP 57 13.432 4.729 3.956 436 HB3 ASP 57 HB3 ASP 57 13.168 3.102 3.342 437 H CYS 58 H CYS 58 13.083 2.857 0.691 438 HA CYS 58 HA CYS 58 14.675 0.568 0.266 439 HB2 CYS 58 HB2 CYS 58 12.499 1.856 -1.380 440 HB3 CYS 58 HB3 CYS 58 13.322 0.405 -1.909 441 H GLN 59 H GLN 59 14.111 3.422 -1.710 442 HA GLN 59 HA GLN 59 15.897 3.154 -3.757 443 HB2 GLN 59 HB2 GLN 59 14.255 4.984 -3.506 444 HB3 GLN 59 HB3 GLN 59 15.232 5.676 -2.221 445 HG2 GLN 59 HG2 GLN 59 15.643 6.912 -4.204 446 HG3 GLN 59 HG3 GLN 59 17.078 5.946 -3.871 447 HE21 GLN 59 HE21 GLN 59 17.509 4.158 -5.138 448 HE22 GLN 59 HE22 GLN 59 16.787 3.955 -6.684 449 H GLU 60 H GLU 60 16.544 4.162 -0.456 450 HA GLU 60 HA GLU 60 19.218 4.955 -0.983 451 HB2 GLU 60 HB2 GLU 60 17.433 5.280 1.052 452 HB3 GLU 60 HB3 GLU 60 18.601 4.202 1.768 453 HG2 GLU 60 HG2 GLU 60 19.142 6.511 2.236 454 HG3 GLU 60 HG3 GLU 60 20.353 5.742 1.229 455 H ALA 61 H ALA 61 17.681 2.087 0.362 456 HA ALA 61 HA ALA 61 20.012 0.645 1.009 457 HB1 ALA 61 HB1 ALA 61 17.788 -0.054 1.767 458 HB2 ALA 61 HB2 ALA 61 18.587 -1.348 0.876 459 HB3 ALA 61 HB3 ALA 61 17.322 -0.395 0.100 460 H LEU 62 H LEU 62 18.258 1.307 -1.851 461 HA LEU 62 HA LEU 62 19.478 -0.552 -3.614 462 HB2 LEU 62 HB2 LEU 62 17.590 1.627 -3.663 463 HB3 LEU 62 HB3 LEU 62 18.686 1.739 -5.027 464 HG LEU 62 HG LEU 62 18.139 -0.682 -5.425 465 HD11 LEU 62 HD11 LEU 62 15.951 -1.450 -4.633 466 HD12 LEU 62 HD12 LEU 62 15.843 -0.011 -3.616 467 HD13 LEU 62 HD13 LEU 62 17.101 -1.211 -3.319 468 HD21 LEU 62 HD21 LEU 62 16.081 -0.110 -6.670 469 HD22 LEU 62 HD22 LEU 62 17.378 1.062 -6.899 470 HD23 LEU 62 HD23 LEU 62 16.039 1.430 -5.811 471 H ASP 63 H ASP 63 19.786 2.911 -3.321 472 HA ASP 63 HA ASP 63 21.967 3.273 -5.013 473 HB2 ASP 63 HB2 ASP 63 20.499 5.092 -4.391 474 HB3 ASP 63 HB3 ASP 63 20.990 4.973 -2.709 475 H ARG 64 H ARG 64 21.912 2.804 -1.489 476 HA ARG 64 HA ARG 64 24.705 3.214 -1.143 477 HB2 ARG 64 HB2 ARG 64 23.197 3.476 0.737 478 HB3 ARG 64 HB3 ARG 64 22.673 1.805 0.596 479 HG2 ARG 64 HG2 ARG 64 24.209 2.068 2.448 480 HG3 ARG 64 HG3 ARG 64 24.919 1.049 1.195 481 HD2 ARG 64 HD2 ARG 64 26.124 3.062 0.344 482 HD3 ARG 64 HD3 ARG 64 25.516 3.952 1.737 483 HE ARG 64 HE ARG 64 26.779 1.679 2.713 484 HH11 ARG 64 HH11 ARG 64 27.628 4.584 0.954 485 HH12 ARG 64 HH12 ARG 64 29.267 4.603 1.522 486 HH21 ARG 64 HH21 ARG 64 28.930 1.697 3.462 487 HH22 ARG 64 HH22 ARG 64 30.010 2.954 2.947 488 H ASN 65 H ASN 65 22.798 0.206 -0.918 489 HA ASN 65 HA ASN 65 25.269 -1.269 -1.493 490 HB2 ASN 65 HB2 ASN 65 22.736 -2.162 -0.115 491 HB3 ASN 65 HB3 ASN 65 24.095 -3.219 -0.479 492 HD21 ASN 65 HD21 ASN 65 22.909 -2.413 2.099 493 HD22 ASN 65 HD22 ASN 65 24.212 -1.740 3.016 494 HA PRO 66 HA PRO 66 23.381 -1.949 -5.497 495 HB2 PRO 66 HB2 PRO 66 25.615 -3.788 -5.963 496 HB3 PRO 66 HB3 PRO 66 25.201 -2.293 -6.800 497 HG2 PRO 66 HG2 PRO 66 27.336 -2.487 -5.169 498 HG3 PRO 66 HG3 PRO 66 26.408 -0.988 -5.344 499 HD2 PRO 66 HD2 PRO 66 26.341 -3.022 -3.154 500 HD3 PRO 66 HD3 PRO 66 26.264 -1.250 -3.062 501 H HIS 67 H HIS 67 22.048 -3.369 -3.650 502 HA HIS 67 HA HIS 67 21.845 -6.006 -4.943 503 HB2 HIS 67 HB2 HIS 67 21.544 -5.337 -2.015 504 HB3 HIS 67 HB3 HIS 67 20.867 -6.803 -2.716 505 HD1 HIS 67 HD1 HIS 67 22.359 -8.778 -2.616 506 HD2 HIS 67 HD2 HIS 67 24.501 -5.209 -2.540 507 HE1 HIS 67 HE1 HIS 67 24.761 -9.435 -2.265 508 HE2 HIS 67 HE2 HIS 67 26.012 -7.257 -2.071 509 H TYR 68 H TYR 68 20.358 -5.278 -6.370 510 HA TYR 68 HA TYR 68 17.687 -4.740 -5.335 511 HB2 TYR 68 HB2 TYR 68 17.383 -2.762 -6.688 512 HB3 TYR 68 HB3 TYR 68 18.841 -2.531 -5.730 513 HD1 TYR 68 HD1 TYR 68 21.097 -2.970 -6.868 514 HD2 TYR 68 HD2 TYR 68 17.452 -2.573 -9.022 515 HE1 TYR 68 HE1 TYR 68 22.368 -2.519 -8.924 516 HE2 TYR 68 HE2 TYR 68 18.707 -2.125 -11.083 517 HH TYR 68 HH TYR 68 22.065 -2.673 -11.348 518 H HIS 69 H HIS 69 16.221 -4.506 -7.483 519 HA HIS 69 HA HIS 69 16.655 -6.978 -8.904 520 HB2 HIS 69 HB2 HIS 69 14.458 -4.922 -8.957 521 HB3 HIS 69 HB3 HIS 69 14.505 -6.263 -10.093 522 HD1 HIS 69 HD1 HIS 69 12.849 -7.931 -9.325 523 HD2 HIS 69 HD2 HIS 69 14.968 -6.284 -6.154 524 HE1 HIS 69 HE1 HIS 69 12.068 -9.164 -7.277 525 HE2 HIS 69 HE2 HIS 69 13.513 -8.289 -5.410 526 H GLU 70 H GLU 70 18.645 -6.356 -9.894 527 HA GLU 70 HA GLU 70 18.855 -4.234 -11.731 528 HB2 GLU 70 HB2 GLU 70 20.881 -5.458 -12.555 529 HB3 GLU 70 HB3 GLU 70 20.860 -5.150 -10.826 530 HG2 GLU 70 HG2 GLU 70 20.047 -7.487 -10.502 531 HG3 GLU 70 HG3 GLU 70 20.309 -7.753 -12.224 532 H TYR 71 H TYR 71 17.714 -4.004 -13.476 533 HA TYR 71 HA TYR 71 16.485 -6.217 -14.825 534 HB2 TYR 71 HB2 TYR 71 15.600 -4.467 -16.358 535 HB3 TYR 71 HB3 TYR 71 15.263 -4.131 -14.665 536 HD1 TYR 71 HD1 TYR 71 16.909 -2.976 -17.677 537 HD2 TYR 71 HD2 TYR 71 16.571 -2.360 -13.481 538 HE1 TYR 71 HE1 TYR 71 17.920 -0.749 -17.927 539 HE2 TYR 71 HE2 TYR 71 17.580 -0.133 -13.721 540 HH TYR 71 HH TYR 71 19.142 1.008 -15.378 541 H HIS 72 H HIS 72 19.317 -4.264 -15.215 542 HA HIS 72 HA HIS 72 20.363 -6.023 -17.214 543 HB2 HIS 72 HB2 HIS 72 18.962 -4.593 -18.639 544 HB3 HIS 72 HB3 HIS 72 19.748 -3.161 -17.989 545 HD1 HIS 72 HD1 HIS 72 21.437 -2.246 -19.525 546 HD2 HIS 72 HD2 HIS 72 21.109 -6.371 -19.893 547 HE1 HIS 72 HE1 HIS 72 23.048 -2.892 -21.345 548 HE2 HIS 72 HE2 HIS 72 22.710 -5.367 -21.657 549 H THR 73 H THR 73 22.180 -6.332 -16.056 550 HA THR 73 HA THR 73 23.998 -4.053 -15.869 551 HB THR 73 HB THR 73 23.564 -5.947 -13.543 552 HG1 THR 73 HG1 THR 73 21.951 -4.137 -14.099 553 HG21 THR 73 HG21 THR 73 25.866 -5.120 -13.737 554 HG22 THR 73 HG22 THR 73 25.057 -4.420 -12.335 555 HG23 THR 73 HG23 THR 73 25.268 -3.463 -13.800 Start of MODEL 4 1 H1 GLN -1 H1 GLN -1 1.053 12.183 -6.563 2 H2 GLN -1 H2 GLN -1 1.207 11.281 -5.141 3 H3 GLN -1 H3 GLN -1 -0.140 11.066 -6.139 4 HA GLN -1 HA GLN -1 1.197 10.159 -7.877 5 HB2 GLN -1 HB2 GLN -1 3.496 10.558 -5.953 6 HB3 GLN -1 HB3 GLN -1 3.594 9.726 -7.497 7 HG2 GLN -1 HG2 GLN -1 3.010 11.806 -8.647 8 HG3 GLN -1 HG3 GLN -1 2.939 12.635 -7.092 9 HE21 GLN -1 HE21 GLN -1 4.846 13.031 -5.966 10 HE22 GLN -1 HE22 GLN -1 6.392 12.965 -6.739 11 H SER 0 H SER 0 -0.337 9.413 -5.405 12 HA SER 0 HA SER 0 0.409 6.621 -5.399 13 HB2 SER 0 HB2 SER 0 0.378 8.174 -2.800 14 HB3 SER 0 HB3 SER 0 0.635 6.440 -2.973 15 HG SER 0 HG SER 0 2.403 7.475 -4.540 16 H MET 1 H MET 1 -1.854 8.177 -6.283 17 HA MET 1 HA MET 1 -3.955 7.197 -4.485 18 HB2 MET 1 HB2 MET 1 -4.058 9.573 -5.177 19 HB3 MET 1 HB3 MET 1 -4.186 9.070 -6.852 20 HG2 MET 1 HG2 MET 1 -6.303 7.943 -6.321 21 HG3 MET 1 HG3 MET 1 -6.168 8.505 -4.658 22 HE1 MET 1 HE1 MET 1 -4.985 11.436 -5.050 23 HE2 MET 1 HE2 MET 1 -6.303 11.060 -3.939 24 HE3 MET 1 HE3 MET 1 -6.467 12.388 -5.087 25 H ALA 2 H ALA 2 -5.850 6.213 -5.568 26 HA ALA 2 HA ALA 2 -6.817 4.589 -6.811 27 HB1 ALA 2 HB1 ALA 2 -6.012 4.047 -9.069 28 HB2 ALA 2 HB2 ALA 2 -4.608 5.079 -8.794 29 HB3 ALA 2 HB3 ALA 2 -6.225 5.780 -8.823 30 H LEU 3 H LEU 3 -3.332 4.122 -7.181 31 HA LEU 3 HA LEU 3 -3.662 1.410 -6.128 32 HB2 LEU 3 HB2 LEU 3 -1.056 2.551 -7.060 33 HB3 LEU 3 HB3 LEU 3 -1.454 0.897 -6.816 34 HG LEU 3 HG LEU 3 -3.068 1.166 -8.781 35 HD11 LEU 3 HD11 LEU 3 -3.196 3.459 -9.057 36 HD12 LEU 3 HD12 LEU 3 -2.144 2.933 -10.373 37 HD13 LEU 3 HD13 LEU 3 -1.454 3.660 -8.921 38 HD21 LEU 3 HD21 LEU 3 -1.287 0.728 -10.383 39 HD22 LEU 3 HD22 LEU 3 -0.977 -0.116 -8.867 40 HD23 LEU 3 HD23 LEU 3 -0.094 1.361 -9.250 41 H HIS 4 H HIS 4 -2.090 0.733 -4.470 42 HA HIS 4 HA HIS 4 -1.844 2.937 -2.525 43 HB2 HIS 4 HB2 HIS 4 -2.527 0.033 -2.060 44 HB3 HIS 4 HB3 HIS 4 -2.104 1.149 -0.767 45 HD1 HIS 4 HD1 HIS 4 -3.885 2.808 -0.010 46 HD2 HIS 4 HD2 HIS 4 -5.024 0.522 -3.279 47 HE1 HIS 4 HE1 HIS 4 -6.325 3.284 -0.344 48 HE2 HIS 4 HE2 HIS 4 -6.942 2.055 -2.450 49 H TYR 5 H TYR 5 0.036 3.240 -1.555 50 HA TYR 5 HA TYR 5 2.230 1.630 -2.612 51 HB2 TYR 5 HB2 TYR 5 1.923 4.492 -1.826 52 HB3 TYR 5 HB3 TYR 5 3.528 3.751 -1.736 53 HD1 TYR 5 HD1 TYR 5 0.775 3.265 -4.229 54 HD2 TYR 5 HD2 TYR 5 4.731 4.622 -3.479 55 HE1 TYR 5 HE1 TYR 5 1.102 3.623 -6.638 56 HE2 TYR 5 HE2 TYR 5 5.070 4.982 -5.874 57 HH TYR 5 HH TYR 5 4.182 4.241 -7.992 58 H TYR 6 H TYR 6 2.644 0.053 -1.253 59 HA TYR 6 HA TYR 6 3.338 0.830 1.496 60 HB2 TYR 6 HB2 TYR 6 2.440 -1.835 0.400 61 HB3 TYR 6 HB3 TYR 6 3.134 -1.628 2.004 62 HD1 TYR 6 HD1 TYR 6 1.973 0.040 3.585 63 HD2 TYR 6 HD2 TYR 6 0.163 -1.552 0.068 64 HE1 TYR 6 HE1 TYR 6 -0.268 0.593 4.473 65 HE2 TYR 6 HE2 TYR 6 -2.064 -0.998 0.944 66 HH TYR 6 HH TYR 6 -3.142 -0.609 3.096 67 H CYS 7 H CYS 7 5.345 0.409 2.186 68 HA CYS 7 HA CYS 7 7.339 0.099 0.185 69 HB2 CYS 7 HB2 CYS 7 7.982 1.509 1.970 70 HB3 CYS 7 HB3 CYS 7 7.364 0.366 3.145 71 H ARG 8 H ARG 8 8.147 -1.710 -0.568 72 HA ARG 8 HA ARG 8 8.113 -4.171 0.914 73 HB2 ARG 8 HB2 ARG 8 9.809 -4.841 -0.930 74 HB3 ARG 8 HB3 ARG 8 8.136 -4.562 -1.387 75 HG2 ARG 8 HG2 ARG 8 8.649 -2.450 -2.325 76 HG3 ARG 8 HG3 ARG 8 10.270 -2.457 -1.620 77 HD2 ARG 8 HD2 ARG 8 9.333 -4.510 -3.608 78 HD3 ARG 8 HD3 ARG 8 10.104 -2.999 -4.088 79 HE ARG 8 HE ARG 8 11.939 -3.892 -2.431 80 HH11 ARG 8 HH11 ARG 8 10.052 -5.705 -4.768 81 HH12 ARG 8 HH12 ARG 8 11.297 -6.873 -5.061 82 HH21 ARG 8 HH21 ARG 8 13.582 -5.433 -2.827 83 HH22 ARG 8 HH22 ARG 8 13.309 -6.723 -3.956 84 H HIS 9 H HIS 9 9.377 -4.551 2.544 85 HA HIS 9 HA HIS 9 11.455 -5.130 3.445 86 HB2 HIS 9 HB2 HIS 9 12.718 -4.246 1.474 87 HB3 HIS 9 HB3 HIS 9 12.663 -2.652 2.217 88 HD1 HIS 9 HD1 HIS 9 14.322 -2.183 4.124 89 HD2 HIS 9 HD2 HIS 9 14.378 -6.123 2.797 90 HE1 HIS 9 HE1 HIS 9 16.328 -3.233 5.204 91 HE2 HIS 9 HE2 HIS 9 16.221 -5.658 4.548 92 H CYS 10 H CYS 10 10.990 -1.536 3.399 93 HA CYS 10 HA CYS 10 11.721 -1.532 6.203 94 HB2 CYS 10 HB2 CYS 10 10.623 0.964 5.027 95 HB3 CYS 10 HB3 CYS 10 12.000 0.734 6.090 96 H GLY 11 H GLY 11 8.803 -1.687 4.357 97 HA2 GLY 11 HA2 GLY 11 6.715 -2.282 5.148 98 HA3 GLY 11 HA3 GLY 11 7.365 -2.219 6.790 99 H VAL 12 H VAL 12 7.792 0.598 4.908 100 HA VAL 12 HA VAL 12 5.868 1.993 6.508 101 HB VAL 12 HB VAL 12 7.978 3.024 6.553 102 HG11 VAL 12 HG11 VAL 12 8.899 1.981 4.537 103 HG12 VAL 12 HG12 VAL 12 9.201 3.716 4.576 104 HG13 VAL 12 HG13 VAL 12 7.928 3.068 3.543 105 HG21 VAL 12 HG21 VAL 12 7.566 5.233 5.638 106 HG22 VAL 12 HG22 VAL 12 6.115 4.578 6.393 107 HG23 VAL 12 HG23 VAL 12 6.269 4.582 4.638 108 H LYS 13 H LYS 13 4.210 3.194 5.776 109 HA LYS 13 HA LYS 13 3.129 2.426 3.200 110 HB2 LYS 13 HB2 LYS 13 1.982 4.395 5.183 111 HB3 LYS 13 HB3 LYS 13 1.119 3.537 3.917 112 HG2 LYS 13 HG2 LYS 13 1.537 1.420 5.097 113 HG3 LYS 13 HG3 LYS 13 2.348 2.314 6.382 114 HD2 LYS 13 HD2 LYS 13 -0.525 2.711 5.548 115 HD3 LYS 13 HD3 LYS 13 -0.002 1.743 6.924 116 HE2 LYS 13 HE2 LYS 13 0.495 4.699 6.569 117 HE3 LYS 13 HE3 LYS 13 -0.757 3.988 7.584 118 HZ1 LYS 13 HZ1 LYS 13 1.169 4.618 8.884 119 HZ2 LYS 13 HZ2 LYS 13 2.168 3.634 7.944 120 HZ3 LYS 13 HZ3 LYS 13 0.972 2.939 8.911 121 H VAL 14 H VAL 14 3.686 3.517 1.388 122 HA VAL 14 HA VAL 14 5.058 6.061 1.739 123 HB VAL 14 HB VAL 14 4.860 5.139 -1.016 124 HG11 VAL 14 HG11 VAL 14 7.184 5.714 0.812 125 HG12 VAL 14 HG12 VAL 14 6.397 6.863 -0.274 126 HG13 VAL 14 HG13 VAL 14 7.282 5.489 -0.935 127 HG21 VAL 14 HG21 VAL 14 6.181 3.315 0.989 128 HG22 VAL 14 HG22 VAL 14 6.410 3.238 -0.759 129 HG23 VAL 14 HG23 VAL 14 4.820 2.922 -0.066 130 H GLY 15 H GLY 15 1.966 4.982 0.799 131 HA2 GLY 15 HA2 GLY 15 1.530 7.371 -0.858 132 HA3 GLY 15 HA3 GLY 15 0.481 5.961 -0.800 133 H SER 16 H SER 16 -0.164 5.560 1.665 134 HA SER 16 HA SER 16 -1.478 8.030 2.490 135 HB2 SER 16 HB2 SER 16 -2.016 5.137 3.185 136 HB3 SER 16 HB3 SER 16 -2.933 6.506 3.810 137 HG SER 16 HG SER 16 -3.645 5.295 1.770 138 H LEU 17 H LEU 17 -0.629 9.140 4.088 139 HA LEU 17 HA LEU 17 1.027 7.734 6.068 140 HB2 LEU 17 HB2 LEU 17 2.037 9.969 6.517 141 HB3 LEU 17 HB3 LEU 17 2.345 9.350 4.909 142 HG LEU 17 HG LEU 17 0.017 11.169 5.210 143 HD11 LEU 17 HD11 LEU 17 1.482 13.139 5.039 144 HD12 LEU 17 HD12 LEU 17 2.881 12.105 5.328 145 HD13 LEU 17 HD13 LEU 17 1.655 12.301 6.580 146 HD21 LEU 17 HD21 LEU 17 0.781 11.924 3.026 147 HD22 LEU 17 HD22 LEU 17 0.641 10.167 3.055 148 HD23 LEU 17 HD23 LEU 17 2.229 10.927 3.170 149 H GLU 18 H GLU 18 -1.847 9.324 5.522 150 HA GLU 18 HA GLU 18 -2.207 10.407 8.153 151 HB2 GLU 18 HB2 GLU 18 -4.158 10.010 5.887 152 HB3 GLU 18 HB3 GLU 18 -4.519 10.865 7.377 153 HG2 GLU 18 HG2 GLU 18 -2.932 12.571 6.859 154 HG3 GLU 18 HG3 GLU 18 -2.351 11.668 5.459 155 H SER 19 H SER 19 -3.086 9.419 9.877 156 HA SER 19 HA SER 19 -4.542 6.899 9.426 157 HB2 SER 19 HB2 SER 19 -3.055 7.836 11.889 158 HB3 SER 19 HB3 SER 19 -3.991 6.347 11.785 159 HG SER 19 HG SER 19 -1.631 6.222 11.396 160 H SER 20 H SER 20 -4.820 10.138 10.435 161 HA SER 20 HA SER 20 -6.972 9.897 12.263 162 HB2 SER 20 HB2 SER 20 -6.236 12.222 10.471 163 HB3 SER 20 HB3 SER 20 -7.338 12.296 11.843 164 HG SER 20 HG SER 20 -4.813 11.250 12.348 165 H MET 21 H MET 21 -7.067 11.122 8.907 166 HA MET 21 HA MET 21 -9.742 9.921 8.662 167 HB2 MET 21 HB2 MET 21 -8.483 12.090 6.997 168 HB3 MET 21 HB3 MET 21 -10.113 11.476 6.806 169 HG2 MET 21 HG2 MET 21 -10.690 12.295 9.031 170 HG3 MET 21 HG3 MET 21 -9.054 12.919 9.223 171 HE1 MET 21 HE1 MET 21 -10.004 15.338 9.822 172 HE2 MET 21 HE2 MET 21 -11.628 14.662 9.685 173 HE3 MET 21 HE3 MET 21 -11.222 16.158 8.846 174 H VAL 22 H VAL 22 -9.113 7.898 8.148 175 HA VAL 22 HA VAL 22 -7.494 7.562 5.714 176 HB VAL 22 HB VAL 22 -6.238 7.064 7.805 177 HG11 VAL 22 HG11 VAL 22 -8.018 6.219 9.185 178 HG12 VAL 22 HG12 VAL 22 -6.750 5.001 9.036 179 HG13 VAL 22 HG13 VAL 22 -8.241 4.843 8.109 180 HG21 VAL 22 HG21 VAL 22 -6.686 4.660 6.047 181 HG22 VAL 22 HG22 VAL 22 -5.278 4.964 7.064 182 HG23 VAL 22 HG23 VAL 22 -5.612 6.014 5.687 183 H SER 23 H SER 23 -10.508 7.301 6.760 184 HA SER 23 HA SER 23 -11.249 4.644 6.101 185 HB2 SER 23 HB2 SER 23 -12.681 6.156 7.447 186 HB3 SER 23 HB3 SER 23 -12.945 7.154 6.018 187 HG SER 23 HG SER 23 -13.585 4.809 5.201 188 H THR 24 H THR 24 -10.447 7.390 4.221 189 HA THR 24 HA THR 24 -11.766 6.533 1.816 190 HB THR 24 HB THR 24 -11.327 8.924 2.242 191 HG1 THR 24 HG1 THR 24 -11.273 7.872 0.019 192 HG21 THR 24 HG21 THR 24 -9.191 8.729 3.406 193 HG22 THR 24 HG22 THR 24 -9.050 9.819 2.026 194 HG23 THR 24 HG23 THR 24 -8.418 8.176 1.920 195 H ASP 25 H ASP 25 -9.108 5.400 3.472 196 HA ASP 25 HA ASP 25 -7.541 4.782 1.070 197 HB2 ASP 25 HB2 ASP 25 -6.357 5.780 2.996 198 HB3 ASP 25 HB3 ASP 25 -6.889 4.452 4.011 199 H SER 26 H SER 26 -9.841 3.598 3.156 200 HA SER 26 HA SER 26 -9.622 0.898 2.192 201 HB2 SER 26 HB2 SER 26 -7.950 1.168 4.076 202 HB3 SER 26 HB3 SER 26 -9.328 1.404 5.145 203 HG SER 26 HG SER 26 -9.429 -0.688 5.236 204 H LEU 27 H LEU 27 -11.706 0.988 1.518 205 HA LEU 27 HA LEU 27 -13.923 0.664 1.596 206 HB2 LEU 27 HB2 LEU 27 -13.540 0.439 4.564 207 HB3 LEU 27 HB3 LEU 27 -14.999 0.038 3.696 208 HG LEU 27 HG LEU 27 -12.359 -1.371 3.612 209 HD11 LEU 27 HD11 LEU 27 -13.822 -1.905 5.472 210 HD12 LEU 27 HD12 LEU 27 -13.699 -3.266 4.357 211 HD13 LEU 27 HD13 LEU 27 -15.135 -2.242 4.349 212 HD21 LEU 27 HD21 LEU 27 -14.767 -1.785 1.867 213 HD22 LEU 27 HD22 LEU 27 -13.377 -2.868 1.959 214 HD23 LEU 27 HD23 LEU 27 -13.179 -1.224 1.351 215 H GLY 28 H GLY 28 -14.548 2.538 0.845 216 HA2 GLY 28 HA2 GLY 28 -15.099 4.707 2.767 217 HA3 GLY 28 HA3 GLY 28 -14.763 4.957 1.059 218 H PHE 29 H PHE 29 -17.092 3.474 3.273 219 HA PHE 29 HA PHE 29 -19.133 3.450 1.233 220 HB2 PHE 29 HB2 PHE 29 -19.386 2.775 4.173 221 HB3 PHE 29 HB3 PHE 29 -20.506 2.342 2.890 222 HD1 PHE 29 HD1 PHE 29 -17.788 1.259 4.853 223 HD2 PHE 29 HD2 PHE 29 -19.560 0.829 1.007 224 HE1 PHE 29 HE1 PHE 29 -16.655 -0.892 4.578 225 HE2 PHE 29 HE2 PHE 29 -18.414 -1.328 0.722 226 HZ PHE 29 HZ PHE 29 -16.960 -2.194 2.510 227 H GLN 30 H GLN 30 -21.337 4.077 2.732 228 HA GLN 30 HA GLN 30 -20.932 6.846 3.632 229 HB2 GLN 30 HB2 GLN 30 -23.120 5.834 1.801 230 HB3 GLN 30 HB3 GLN 30 -23.114 7.420 2.553 231 HG2 GLN 30 HG2 GLN 30 -20.940 6.455 0.720 232 HG3 GLN 30 HG3 GLN 30 -22.363 7.337 0.170 233 HE21 GLN 30 HE21 GLN 30 -19.413 7.514 2.006 234 HE22 GLN 30 HE22 GLN 30 -19.335 9.241 2.081 235 H HIS 31 H HIS 31 -23.598 4.586 3.230 236 HA HIS 31 HA HIS 31 -24.435 5.025 6.003 237 HB2 HIS 31 HB2 HIS 31 -26.151 5.238 4.268 238 HB3 HIS 31 HB3 HIS 31 -25.785 3.622 3.678 239 HD1 HIS 31 HD1 HIS 31 -26.748 1.625 5.001 240 HD2 HIS 31 HD2 HIS 31 -27.696 5.344 6.607 241 HE1 HIS 31 HE1 HIS 31 -28.570 1.195 6.679 242 HE2 HIS 31 HE2 HIS 31 -29.079 3.445 7.689 243 H LEU 32 H LEU 32 -22.969 3.735 7.199 244 HA LEU 32 HA LEU 32 -23.566 0.936 6.963 245 HB2 LEU 32 HB2 LEU 32 -21.306 0.124 6.917 246 HB3 LEU 32 HB3 LEU 32 -21.675 1.054 5.500 247 HG LEU 32 HG LEU 32 -19.464 1.594 6.017 248 HD11 LEU 32 HD11 LEU 32 -20.991 3.794 7.357 249 HD12 LEU 32 HD12 LEU 32 -20.799 3.603 5.615 250 HD13 LEU 32 HD13 LEU 32 -19.388 3.900 6.631 251 HD21 LEU 32 HD21 LEU 32 -20.248 1.890 8.902 252 HD22 LEU 32 HD22 LEU 32 -18.642 2.187 8.237 253 HD23 LEU 32 HD23 LEU 32 -19.329 0.562 8.191 254 H THR 33 H THR 33 -23.251 -0.296 8.619 255 HA THR 33 HA THR 33 -21.927 0.631 11.020 256 HB THR 33 HB THR 33 -24.310 1.200 11.362 257 HG1 THR 33 HG1 THR 33 -24.265 0.466 13.363 258 HG21 THR 33 HG21 THR 33 -26.007 -0.567 11.473 259 HG22 THR 33 HG22 THR 33 -24.814 -1.740 10.917 260 HG23 THR 33 HG23 THR 33 -25.319 -0.428 9.855 261 H ASN 34 H ASN 34 -22.728 -1.748 12.494 262 HA ASN 34 HA ASN 34 -20.766 -3.530 11.719 263 HB2 ASN 34 HB2 ASN 34 -23.325 -4.145 13.205 264 HB3 ASN 34 HB3 ASN 34 -21.942 -5.227 13.105 265 HD21 ASN 34 HD21 ASN 34 -23.243 -3.924 15.388 266 HD22 ASN 34 HD22 ASN 34 -21.983 -3.067 16.203 267 H GLU 35 H GLU 35 -24.226 -3.662 10.908 268 HA GLU 35 HA GLU 35 -23.997 -6.111 9.499 269 HB2 GLU 35 HB2 GLU 35 -26.289 -5.722 8.771 270 HB3 GLU 35 HB3 GLU 35 -26.108 -5.432 10.494 271 HG2 GLU 35 HG2 GLU 35 -26.103 -3.051 10.132 272 HG3 GLU 35 HG3 GLU 35 -26.150 -3.296 8.389 273 H GLU 36 H GLU 36 -23.897 -2.719 8.444 274 HA GLU 36 HA GLU 36 -24.085 -3.409 5.666 275 HB2 GLU 36 HB2 GLU 36 -23.111 -0.841 6.904 276 HB3 GLU 36 HB3 GLU 36 -23.679 -1.063 5.260 277 HG2 GLU 36 HG2 GLU 36 -25.438 -1.530 7.644 278 HG3 GLU 36 HG3 GLU 36 -25.271 0.049 6.886 279 H ARG 37 H ARG 37 -21.582 -2.949 8.023 280 HA ARG 37 HA ARG 37 -19.366 -2.488 6.445 281 HB2 ARG 37 HB2 ARG 37 -19.363 -2.294 8.858 282 HB3 ARG 37 HB3 ARG 37 -19.696 -4.008 9.035 283 HG2 ARG 37 HG2 ARG 37 -17.542 -4.539 8.101 284 HG3 ARG 37 HG3 ARG 37 -17.199 -2.825 7.874 285 HD2 ARG 37 HD2 ARG 37 -16.131 -3.708 9.903 286 HD3 ARG 37 HD3 ARG 37 -17.320 -2.461 10.273 287 HE ARG 37 HE ARG 37 -18.287 -5.192 10.397 288 HH11 ARG 37 HH11 ARG 37 -16.920 -2.498 12.165 289 HH12 ARG 37 HH12 ARG 37 -17.515 -3.038 13.702 290 HH21 ARG 37 HH21 ARG 37 -19.074 -5.906 12.426 291 HH22 ARG 37 HH22 ARG 37 -18.741 -4.974 13.851 292 H ASN 38 H ASN 38 -20.827 -5.570 7.443 293 HA ASN 38 HA ASN 38 -18.920 -7.133 5.959 294 HB2 ASN 38 HB2 ASN 38 -19.984 -7.971 8.038 295 HB3 ASN 38 HB3 ASN 38 -21.535 -7.993 7.209 296 HD21 ASN 38 HD21 ASN 38 -21.786 -10.200 7.492 297 HD22 ASN 38 HD22 ASN 38 -20.852 -11.358 6.611 298 H ASP 39 H ASP 39 -22.207 -5.981 5.449 299 HA ASP 39 HA ASP 39 -22.689 -7.727 3.227 300 HB2 ASP 39 HB2 ASP 39 -24.559 -7.041 4.589 301 HB3 ASP 39 HB3 ASP 39 -24.225 -5.342 4.267 302 H MET 40 H MET 40 -21.797 -4.329 3.577 303 HA MET 40 HA MET 40 -22.128 -3.793 0.771 304 HB2 MET 40 HB2 MET 40 -21.040 -2.177 3.063 305 HB3 MET 40 HB3 MET 40 -21.014 -1.589 1.408 306 HG2 MET 40 HG2 MET 40 -23.487 -2.400 2.917 307 HG3 MET 40 HG3 MET 40 -22.924 -0.743 2.702 308 HE1 MET 40 HE1 MET 40 -23.214 -0.293 -1.179 309 HE2 MET 40 HE2 MET 40 -21.803 -0.891 -0.312 310 HE3 MET 40 HE3 MET 40 -22.736 0.452 0.345 311 H ILE 41 H ILE 41 -19.493 -4.793 2.828 312 HA ILE 41 HA ILE 41 -17.383 -3.847 1.227 313 HB ILE 41 HB ILE 41 -17.084 -4.719 3.563 314 HG12 ILE 41 HG12 ILE 41 -15.315 -5.876 1.399 315 HG13 ILE 41 HG13 ILE 41 -15.172 -4.274 2.109 316 HG21 ILE 41 HG21 ILE 41 -18.357 -6.760 3.435 317 HG22 ILE 41 HG22 ILE 41 -16.678 -7.155 3.806 318 HG23 ILE 41 HG23 ILE 41 -17.300 -7.381 2.167 319 HD11 ILE 41 HD11 ILE 41 -14.790 -6.870 3.581 320 HD12 ILE 41 HD12 ILE 41 -14.580 -5.251 4.244 321 HD13 ILE 41 HD13 ILE 41 -13.502 -5.828 2.976 322 H SER 42 H SER 42 -16.451 -4.568 -0.528 323 HA SER 42 HA SER 42 -16.608 -7.242 -1.468 324 HB2 SER 42 HB2 SER 42 -17.778 -6.524 -3.640 325 HB3 SER 42 HB3 SER 42 -18.799 -6.732 -2.221 326 HG SER 42 HG SER 42 -18.819 -4.499 -1.943 327 H TYR 43 H TYR 43 -14.427 -6.183 -0.905 328 HA TYR 43 HA TYR 43 -12.358 -5.548 -1.606 329 HB2 TYR 43 HB2 TYR 43 -12.961 -6.712 -3.767 330 HB3 TYR 43 HB3 TYR 43 -13.530 -5.163 -4.372 331 HD1 TYR 43 HD1 TYR 43 -10.461 -6.439 -2.648 332 HD2 TYR 43 HD2 TYR 43 -12.087 -4.136 -5.834 333 HE1 TYR 43 HE1 TYR 43 -8.191 -5.952 -3.450 334 HE2 TYR 43 HE2 TYR 43 -9.819 -3.641 -6.641 335 HH TYR 43 HH TYR 43 -7.561 -3.598 -5.890 336 H LYS 44 H LYS 44 -11.278 -3.487 -2.616 337 HA LYS 44 HA LYS 44 -12.597 -1.261 -1.412 338 HB2 LYS 44 HB2 LYS 44 -9.967 -1.713 -2.734 339 HB3 LYS 44 HB3 LYS 44 -10.551 -0.059 -2.610 340 HG2 LYS 44 HG2 LYS 44 -9.068 -0.686 -0.751 341 HG3 LYS 44 HG3 LYS 44 -10.683 -0.237 -0.204 342 HD2 LYS 44 HD2 LYS 44 -11.258 -2.646 -0.083 343 HD3 LYS 44 HD3 LYS 44 -9.595 -3.033 -0.514 344 HE2 LYS 44 HE2 LYS 44 -10.426 -1.448 1.913 345 HE3 LYS 44 HE3 LYS 44 -10.042 -3.167 1.917 346 HZ1 LYS 44 HZ1 LYS 44 -7.803 -2.625 1.175 347 HZ2 LYS 44 HZ2 LYS 44 -8.161 -1.853 2.636 348 HZ3 LYS 44 HZ3 LYS 44 -8.172 -0.976 1.191 349 H GLU 45 H GLU 45 -13.646 0.389 -2.303 350 HA GLU 45 HA GLU 45 -15.223 -0.260 -4.511 351 HB2 GLU 45 HB2 GLU 45 -15.951 1.129 -2.632 352 HB3 GLU 45 HB3 GLU 45 -14.874 2.409 -3.141 353 HG2 GLU 45 HG2 GLU 45 -16.149 2.549 -5.231 354 HG3 GLU 45 HG3 GLU 45 -17.277 1.360 -4.602 355 H ASN 46 H ASN 46 -12.202 1.439 -4.460 356 HA ASN 46 HA ASN 46 -12.862 2.995 -6.828 357 HB2 ASN 46 HB2 ASN 46 -10.276 2.889 -5.266 358 HB3 ASN 46 HB3 ASN 46 -10.671 4.041 -6.535 359 HD21 ASN 46 HD21 ASN 46 -11.119 3.134 -3.252 360 HD22 ASN 46 HD22 ASN 46 -11.978 4.549 -2.751 361 H GLY 47 H GLY 47 -11.999 -0.117 -6.466 362 HA2 GLY 47 HA2 GLY 47 -10.978 -1.640 -7.890 363 HA3 GLY 47 HA3 GLY 47 -10.755 -0.318 -9.049 364 H ASP 48 H ASP 48 -9.747 -0.108 -5.776 365 HA ASP 48 HA ASP 48 -7.297 1.009 -6.193 366 HB2 ASP 48 HB2 ASP 48 -8.167 -0.724 -3.878 367 HB3 ASP 48 HB3 ASP 48 -6.820 0.401 -3.859 368 H VAL 49 H VAL 49 -5.135 0.245 -5.784 369 HA VAL 49 HA VAL 49 -4.743 -2.577 -6.487 370 HB VAL 49 HB VAL 49 -2.859 -0.436 -7.379 371 HG11 VAL 49 HG11 VAL 49 -2.142 -2.122 -8.986 372 HG12 VAL 49 HG12 VAL 49 -3.365 -3.236 -8.378 373 HG13 VAL 49 HG13 VAL 49 -2.028 -2.745 -7.339 374 HG21 VAL 49 HG21 VAL 49 -3.950 -0.566 -9.594 375 HG22 VAL 49 HG22 VAL 49 -4.979 0.139 -8.348 376 HG23 VAL 49 HG23 VAL 49 -5.238 -1.526 -8.868 377 H HIS 50 H HIS 50 -3.927 -3.577 -4.722 378 HA HIS 50 HA HIS 50 -2.337 -2.164 -2.794 379 HB2 HIS 50 HB2 HIS 50 -3.811 -4.137 -2.245 380 HB3 HIS 50 HB3 HIS 50 -2.653 -5.165 -3.081 381 HD1 HIS 50 HD1 HIS 50 -3.388 -3.688 0.168 382 HD2 HIS 50 HD2 HIS 50 -0.031 -5.196 -1.770 383 HE1 HIS 50 HE1 HIS 50 -1.695 -4.115 1.978 384 HE2 HIS 50 HE2 HIS 50 0.258 -5.187 0.801 385 H VAL 51 H VAL 51 -0.266 -1.681 -3.020 386 HA VAL 51 HA VAL 51 1.313 -3.183 -4.994 387 HB VAL 51 HB VAL 51 0.798 -0.231 -4.796 388 HG11 VAL 51 HG11 VAL 51 3.230 -0.494 -4.834 389 HG12 VAL 51 HG12 VAL 51 2.607 0.233 -6.314 390 HG13 VAL 51 HG13 VAL 51 3.096 -1.463 -6.301 391 HG21 VAL 51 HG21 VAL 51 0.371 -0.449 -7.181 392 HG22 VAL 51 HG22 VAL 51 -0.615 -1.578 -6.251 393 HG23 VAL 51 HG23 VAL 51 0.811 -2.157 -7.112 394 H LEU 52 H LEU 52 3.193 -3.858 -4.232 395 HA LEU 52 HA LEU 52 4.381 -2.575 -1.889 396 HB2 LEU 52 HB2 LEU 52 5.169 -5.100 -3.354 397 HB3 LEU 52 HB3 LEU 52 5.959 -4.479 -1.917 398 HG LEU 52 HG LEU 52 3.076 -5.375 -2.032 399 HD11 LEU 52 HD11 LEU 52 5.509 -6.773 -0.924 400 HD12 LEU 52 HD12 LEU 52 4.583 -7.260 -2.344 401 HD13 LEU 52 HD13 LEU 52 3.840 -7.313 -0.746 402 HD21 LEU 52 HD21 LEU 52 3.253 -5.267 0.425 403 HD22 LEU 52 HD22 LEU 52 3.441 -3.693 -0.343 404 HD23 LEU 52 HD23 LEU 52 4.857 -4.555 0.259 405 H THR 53 H THR 53 5.636 -0.927 -2.299 406 HA THR 53 HA THR 53 7.282 -0.950 -4.746 407 HB THR 53 HB THR 53 5.420 0.601 -5.019 408 HG1 THR 53 HG1 THR 53 7.014 1.613 -6.017 409 HG21 THR 53 HG21 THR 53 5.133 2.524 -3.532 410 HG22 THR 53 HG22 THR 53 6.423 1.916 -2.495 411 HG23 THR 53 HG23 THR 53 4.923 1.004 -2.665 412 H ILE 54 H ILE 54 9.215 0.413 -4.594 413 HA ILE 54 HA ILE 54 10.415 0.138 -1.972 414 HB ILE 54 HB ILE 54 11.439 0.375 -4.727 415 HG12 ILE 54 HG12 ILE 54 12.646 -0.853 -2.255 416 HG13 ILE 54 HG13 ILE 54 11.439 -1.652 -3.239 417 HG21 ILE 54 HG21 ILE 54 13.035 1.529 -2.448 418 HG22 ILE 54 HG22 ILE 54 12.363 2.440 -3.801 419 HG23 ILE 54 HG23 ILE 54 13.619 1.236 -4.086 420 HD11 ILE 54 HD11 ILE 54 12.973 -1.527 -5.161 421 HD12 ILE 54 HD12 ILE 54 13.621 -2.458 -3.811 422 HD13 ILE 54 HD13 ILE 54 14.187 -0.812 -4.098 423 H CYS 55 H CYS 55 10.181 1.660 -0.582 424 HA CYS 55 HA CYS 55 9.600 4.369 -1.318 425 HB2 CYS 55 HB2 CYS 55 9.196 4.764 0.954 426 HB3 CYS 55 HB3 CYS 55 8.729 3.084 0.753 427 H GLU 56 H GLU 56 10.979 6.167 -0.300 428 HA GLU 56 HA GLU 56 13.398 6.198 -1.622 429 HB2 GLU 56 HB2 GLU 56 12.180 8.177 -0.757 430 HB3 GLU 56 HB3 GLU 56 12.702 7.773 0.867 431 HG2 GLU 56 HG2 GLU 56 15.053 8.011 0.084 432 HG3 GLU 56 HG3 GLU 56 14.418 8.614 -1.447 433 H ASP 57 H ASP 57 12.777 5.206 1.724 434 HA ASP 57 HA ASP 57 15.412 5.151 2.636 435 HB2 ASP 57 HB2 ASP 57 13.332 4.870 4.034 436 HB3 ASP 57 HB3 ASP 57 13.274 3.198 3.482 437 H CYS 58 H CYS 58 13.531 2.509 1.129 438 HA CYS 58 HA CYS 58 15.813 0.769 1.165 439 HB2 CYS 58 HB2 CYS 58 14.260 -0.532 -0.555 440 HB3 CYS 58 HB3 CYS 58 13.968 -0.596 1.173 441 H GLN 59 H GLN 59 14.267 2.885 -1.154 442 HA GLN 59 HA GLN 59 15.769 2.397 -3.436 443 HB2 GLN 59 HB2 GLN 59 13.885 3.873 -3.431 444 HB3 GLN 59 HB3 GLN 59 14.677 4.969 -2.309 445 HG2 GLN 59 HG2 GLN 59 14.816 5.981 -4.429 446 HG3 GLN 59 HG3 GLN 59 16.420 5.335 -4.098 447 HE21 GLN 59 HE21 GLN 59 17.177 3.643 -5.259 448 HE22 GLN 59 HE22 GLN 59 16.428 3.092 -6.705 449 H GLU 60 H GLU 60 16.673 4.300 -0.591 450 HA GLU 60 HA GLU 60 19.139 5.099 -1.770 451 HB2 GLU 60 HB2 GLU 60 17.693 5.959 0.347 452 HB3 GLU 60 HB3 GLU 60 18.941 5.068 1.167 453 HG2 GLU 60 HG2 GLU 60 20.601 6.379 0.076 454 HG3 GLU 60 HG3 GLU 60 19.393 7.279 -0.809 455 H ALA 61 H ALA 61 18.152 2.668 0.584 456 HA ALA 61 HA ALA 61 20.530 1.319 1.023 457 HB1 ALA 61 HB1 ALA 61 19.167 -0.643 1.389 458 HB2 ALA 61 HB2 ALA 61 17.846 0.064 0.455 459 HB3 ALA 61 HB3 ALA 61 18.306 0.771 2.006 460 H LEU 62 H LEU 62 18.494 1.553 -1.700 461 HA LEU 62 HA LEU 62 19.497 -0.591 -3.303 462 HB2 LEU 62 HB2 LEU 62 17.864 1.860 -3.716 463 HB3 LEU 62 HB3 LEU 62 18.469 1.014 -5.104 464 HG LEU 62 HG LEU 62 16.186 0.466 -3.451 465 HD11 LEU 62 HD11 LEU 62 15.642 -0.982 -5.388 466 HD12 LEU 62 HD12 LEU 62 17.247 -0.632 -6.029 467 HD13 LEU 62 HD13 LEU 62 16.077 0.672 -5.821 468 HD21 LEU 62 HD21 LEU 62 18.024 -1.873 -3.905 469 HD22 LEU 62 HD22 LEU 62 16.360 -1.953 -3.322 470 HD23 LEU 62 HD23 LEU 62 17.602 -1.177 -2.340 471 H ASP 63 H ASP 63 19.804 2.914 -3.573 472 HA ASP 63 HA ASP 63 21.651 2.798 -5.718 473 HB2 ASP 63 HB2 ASP 63 20.195 4.662 -5.622 474 HB3 ASP 63 HB3 ASP 63 20.622 5.025 -3.953 475 H ARG 64 H ARG 64 21.999 3.283 -2.240 476 HA ARG 64 HA ARG 64 24.905 3.247 -2.609 477 HB2 ARG 64 HB2 ARG 64 23.957 5.439 -1.903 478 HB3 ARG 64 HB3 ARG 64 23.318 4.659 -0.465 479 HG2 ARG 64 HG2 ARG 64 25.322 5.815 0.076 480 HG3 ARG 64 HG3 ARG 64 25.613 4.084 0.206 481 HD2 ARG 64 HD2 ARG 64 26.658 4.103 -2.008 482 HD3 ARG 64 HD3 ARG 64 26.382 5.840 -2.124 483 HE ARG 64 HE ARG 64 27.803 5.483 0.195 484 HH11 ARG 64 HH11 ARG 64 28.277 4.722 -3.179 485 HH12 ARG 64 HH12 ARG 64 30.005 4.881 -3.110 486 HH21 ARG 64 HH21 ARG 64 30.084 5.674 0.309 487 HH22 ARG 64 HH22 ARG 64 31.036 5.410 -1.119 488 H ASN 65 H ASN 65 24.764 0.928 -2.403 489 HA ASN 65 HA ASN 65 23.822 -0.408 -0.127 490 HB2 ASN 65 HB2 ASN 65 25.887 -1.085 -2.186 491 HB3 ASN 65 HB3 ASN 65 25.760 -2.082 -0.745 492 HD21 ASN 65 HD21 ASN 65 22.997 -0.518 -2.221 493 HD22 ASN 65 HD22 ASN 65 22.260 -1.969 -2.805 494 HA PRO 66 HA PRO 66 28.283 0.323 1.814 495 HB2 PRO 66 HB2 PRO 66 28.887 2.893 0.453 496 HB3 PRO 66 HB3 PRO 66 29.979 1.585 0.920 497 HG2 PRO 66 HG2 PRO 66 29.313 1.948 -1.629 498 HG3 PRO 66 HG3 PRO 66 29.475 0.318 -0.952 499 HD2 PRO 66 HD2 PRO 66 26.999 1.887 -1.549 500 HD3 PRO 66 HD3 PRO 66 27.323 0.159 -1.786 501 H HIS 67 H HIS 67 28.231 1.328 3.734 502 HA HIS 67 HA HIS 67 27.587 2.648 5.439 503 HB2 HIS 67 HB2 HIS 67 27.019 4.539 3.186 504 HB3 HIS 67 HB3 HIS 67 26.507 4.935 4.824 505 HD1 HIS 67 HD1 HIS 67 28.189 6.088 6.215 506 HD2 HIS 67 HD2 HIS 67 29.940 3.989 3.086 507 HE1 HIS 67 HE1 HIS 67 30.641 6.639 6.320 508 HE2 HIS 67 HE2 HIS 67 31.698 5.178 4.557 509 H TYR 68 H TYR 68 25.638 0.973 3.584 510 HA TYR 68 HA TYR 68 23.410 1.510 5.419 511 HB2 TYR 68 HB2 TYR 68 22.942 2.048 2.910 512 HB3 TYR 68 HB3 TYR 68 22.943 0.299 2.699 513 HD1 TYR 68 HD1 TYR 68 21.137 3.160 4.030 514 HD2 TYR 68 HD2 TYR 68 21.212 -1.086 3.794 515 HE1 TYR 68 HE1 TYR 68 18.808 3.083 4.811 516 HE2 TYR 68 HE2 TYR 68 18.880 -1.175 4.569 517 HH TYR 68 HH TYR 68 16.894 1.627 4.771 518 H HIS 69 H HIS 69 22.694 -0.212 6.533 519 HA HIS 69 HA HIS 69 24.186 -2.662 6.378 520 HB2 HIS 69 HB2 HIS 69 21.928 -1.705 8.124 521 HB3 HIS 69 HB3 HIS 69 22.487 -3.372 8.180 522 HD1 HIS 69 HD1 HIS 69 24.059 -3.723 10.048 523 HD2 HIS 69 HD2 HIS 69 24.422 0.090 8.436 524 HE1 HIS 69 HE1 HIS 69 25.860 -2.590 11.386 525 HE2 HIS 69 HE2 HIS 69 26.131 -0.321 10.327 526 H GLU 70 H GLU 70 23.798 -3.794 4.583 527 HA GLU 70 HA GLU 70 21.139 -3.959 3.485 528 HB2 GLU 70 HB2 GLU 70 22.173 -5.206 1.666 529 HB3 GLU 70 HB3 GLU 70 23.077 -3.735 2.001 530 HG2 GLU 70 HG2 GLU 70 24.732 -5.033 3.237 531 HG3 GLU 70 HG3 GLU 70 23.823 -6.507 2.902 532 H TYR 71 H TYR 71 20.139 -5.977 2.937 533 HA TYR 71 HA TYR 71 20.867 -8.268 4.603 534 HB2 TYR 71 HB2 TYR 71 18.239 -6.810 4.607 535 HB3 TYR 71 HB3 TYR 71 18.306 -8.530 4.977 536 HD1 TYR 71 HD1 TYR 71 19.620 -9.305 6.943 537 HD2 TYR 71 HD2 TYR 71 18.880 -5.180 6.219 538 HE1 TYR 71 HE1 TYR 71 20.172 -8.799 9.285 539 HE2 TYR 71 HE2 TYR 71 19.433 -4.663 8.559 540 HH TYR 71 HH TYR 71 19.462 -5.834 10.743 541 H HIS 72 H HIS 72 19.449 -10.192 3.956 542 HA HIS 72 HA HIS 72 19.685 -10.500 1.114 543 HB2 HIS 72 HB2 HIS 72 20.185 -12.286 2.842 544 HB3 HIS 72 HB3 HIS 72 18.449 -12.445 3.065 545 HD1 HIS 72 HD1 HIS 72 21.092 -12.927 0.399 546 HD2 HIS 72 HD2 HIS 72 17.186 -14.062 1.249 547 HE1 HIS 72 HE1 HIS 72 20.493 -14.638 -1.340 548 HE2 HIS 72 HE2 HIS 72 18.186 -15.428 -0.701 549 H THR 73 H THR 73 18.071 -8.594 1.004 550 HA THR 73 HA THR 73 15.308 -9.276 1.304 551 HB THR 73 HB THR 73 15.980 -6.962 1.588 552 HG1 THR 73 HG1 THR 73 13.989 -7.765 0.072 553 HG21 THR 73 HG21 THR 73 16.806 -7.030 -1.314 554 HG22 THR 73 HG22 THR 73 17.869 -6.828 0.077 555 HG23 THR 73 HG23 THR 73 16.694 -5.577 -0.322 Start of MODEL 5 1 H1 GLN -1 H1 GLN -1 -7.294 15.465 -3.260 2 H2 GLN -1 H2 GLN -1 -6.312 15.966 -1.979 3 H3 GLN -1 H3 GLN -1 -7.968 15.742 -1.733 4 HA GLN -1 HA GLN -1 -6.674 13.928 -0.808 5 HB2 GLN -1 HB2 GLN -1 -8.291 13.117 -3.231 6 HB3 GLN -1 HB3 GLN -1 -7.905 12.091 -1.859 7 HG2 GLN -1 HG2 GLN -1 -9.195 13.619 -0.409 8 HG3 GLN -1 HG3 GLN -1 -9.650 14.540 -1.842 9 HE21 GLN -1 HE21 GLN -1 -11.336 13.112 0.044 10 HE22 GLN -1 HE22 GLN -1 -12.216 11.940 -0.876 11 H SER 0 H SER 0 -6.593 13.725 -4.383 12 HA SER 0 HA SER 0 -5.062 12.887 -5.823 13 HB2 SER 0 HB2 SER 0 -3.125 13.767 -3.668 14 HB3 SER 0 HB3 SER 0 -2.673 13.318 -5.314 15 HG SER 0 HG SER 0 -3.561 15.673 -4.400 16 H MET 1 H MET 1 -6.283 10.894 -4.797 17 HA MET 1 HA MET 1 -4.252 8.998 -3.822 18 HB2 MET 1 HB2 MET 1 -7.254 8.689 -3.698 19 HB3 MET 1 HB3 MET 1 -6.054 7.669 -2.924 20 HG2 MET 1 HG2 MET 1 -6.537 10.563 -2.266 21 HG3 MET 1 HG3 MET 1 -7.181 9.196 -1.361 22 HE1 MET 1 HE1 MET 1 -4.034 7.616 0.243 23 HE2 MET 1 HE2 MET 1 -4.869 7.118 -1.227 24 HE3 MET 1 HE3 MET 1 -5.795 7.641 0.180 25 H ALA 2 H ALA 2 -4.062 6.996 -4.848 26 HA ALA 2 HA ALA 2 -5.693 6.408 -7.153 27 HB1 ALA 2 HB1 ALA 2 -3.875 6.310 -8.751 28 HB2 ALA 2 HB2 ALA 2 -2.741 6.865 -7.524 29 HB3 ALA 2 HB3 ALA 2 -4.022 7.936 -8.089 30 H LEU 3 H LEU 3 -2.442 5.457 -6.193 31 HA LEU 3 HA LEU 3 -3.472 2.770 -5.567 32 HB2 LEU 3 HB2 LEU 3 -0.810 3.408 -6.835 33 HB3 LEU 3 HB3 LEU 3 -1.264 1.846 -6.245 34 HG LEU 3 HG LEU 3 -3.174 1.917 -7.932 35 HD11 LEU 3 HD11 LEU 3 -2.782 3.375 -9.845 36 HD12 LEU 3 HD12 LEU 3 -1.443 4.125 -8.975 37 HD13 LEU 3 HD13 LEU 3 -3.086 4.281 -8.363 38 HD21 LEU 3 HD21 LEU 3 -1.711 1.203 -9.768 39 HD22 LEU 3 HD22 LEU 3 -1.228 0.493 -8.230 40 HD23 LEU 3 HD23 LEU 3 -0.318 1.847 -8.900 41 H HIS 4 H HIS 4 -2.092 1.581 -3.995 42 HA HIS 4 HA HIS 4 -1.225 3.540 -1.961 43 HB2 HIS 4 HB2 HIS 4 -2.431 0.806 -1.524 44 HB3 HIS 4 HB3 HIS 4 -1.928 1.909 -0.264 45 HD1 HIS 4 HD1 HIS 4 -4.853 0.672 -1.036 46 HD2 HIS 4 HD2 HIS 4 -3.522 4.590 -1.428 47 HE1 HIS 4 HE1 HIS 4 -6.924 2.092 -1.000 48 HE2 HIS 4 HE2 HIS 4 -6.106 4.441 -1.390 49 H TYR 5 H TYR 5 0.827 3.396 -1.469 50 HA TYR 5 HA TYR 5 2.305 1.036 -2.368 51 HB2 TYR 5 HB2 TYR 5 3.256 3.797 -1.588 52 HB3 TYR 5 HB3 TYR 5 4.326 2.458 -2.006 53 HD1 TYR 5 HD1 TYR 5 5.281 4.063 -3.630 54 HD2 TYR 5 HD2 TYR 5 1.287 2.650 -3.975 55 HE1 TYR 5 HE1 TYR 5 5.254 4.741 -5.973 56 HE2 TYR 5 HE2 TYR 5 1.247 3.328 -6.337 57 HH TYR 5 HH TYR 5 2.372 4.883 -7.822 58 H TYR 6 H TYR 6 3.072 -0.362 -0.964 59 HA TYR 6 HA TYR 6 3.635 0.520 1.783 60 HB2 TYR 6 HB2 TYR 6 2.397 -2.139 0.994 61 HB3 TYR 6 HB3 TYR 6 2.810 -1.634 2.630 62 HD1 TYR 6 HD1 TYR 6 1.592 0.411 3.591 63 HD2 TYR 6 HD2 TYR 6 0.287 -1.618 0.076 64 HE1 TYR 6 HE1 TYR 6 -0.643 1.402 3.846 65 HE2 TYR 6 HE2 TYR 6 -1.944 -0.622 0.328 66 HH TYR 6 HH TYR 6 -3.349 0.328 2.122 67 H CYS 7 H CYS 7 5.691 0.003 2.396 68 HA CYS 7 HA CYS 7 7.314 -0.682 0.169 69 HB2 CYS 7 HB2 CYS 7 7.998 1.061 1.791 70 HB3 CYS 7 HB3 CYS 7 8.264 -0.191 2.973 71 H ARG 8 H ARG 8 8.527 -2.313 -0.284 72 HA ARG 8 HA ARG 8 8.356 -4.871 0.794 73 HB2 ARG 8 HB2 ARG 8 9.307 -4.407 -1.400 74 HB3 ARG 8 HB3 ARG 8 10.607 -3.474 -0.675 75 HG2 ARG 8 HG2 ARG 8 11.235 -5.658 0.522 76 HG3 ARG 8 HG3 ARG 8 10.197 -6.438 -0.680 77 HD2 ARG 8 HD2 ARG 8 12.477 -6.448 -1.470 78 HD3 ARG 8 HD3 ARG 8 11.525 -5.354 -2.465 79 HE ARG 8 HE ARG 8 12.547 -3.514 -1.282 80 HH11 ARG 8 HH11 ARG 8 14.032 -6.651 -0.801 81 HH12 ARG 8 HH12 ARG 8 15.573 -5.993 -0.350 82 HH21 ARG 8 HH21 ARG 8 14.584 -2.650 -0.681 83 HH22 ARG 8 HH22 ARG 8 15.882 -3.724 -0.282 84 H HIS 9 H HIS 9 8.796 -5.334 2.868 85 HA HIS 9 HA HIS 9 10.191 -6.025 4.545 86 HB2 HIS 9 HB2 HIS 9 12.153 -5.988 3.143 87 HB3 HIS 9 HB3 HIS 9 12.257 -4.237 3.257 88 HD1 HIS 9 HD1 HIS 9 14.203 -3.659 4.643 89 HD2 HIS 9 HD2 HIS 9 12.212 -6.990 6.128 90 HE1 HIS 9 HE1 HIS 9 15.417 -4.285 6.747 91 HE2 HIS 9 HE2 HIS 9 14.284 -6.384 7.555 92 H CYS 10 H CYS 10 9.708 -2.654 3.842 93 HA CYS 10 HA CYS 10 10.073 -1.966 6.658 94 HB2 CYS 10 HB2 CYS 10 9.280 -0.207 4.361 95 HB3 CYS 10 HB3 CYS 10 9.690 0.342 5.970 96 H GLY 11 H GLY 11 7.584 -2.482 4.286 97 HA2 GLY 11 HA2 GLY 11 5.300 -2.564 4.466 98 HA3 GLY 11 HA3 GLY 11 5.495 -2.444 6.223 99 H VAL 12 H VAL 12 7.157 0.094 4.880 100 HA VAL 12 HA VAL 12 5.336 1.917 5.973 101 HB VAL 12 HB VAL 12 7.598 2.512 6.199 102 HG11 VAL 12 HG11 VAL 12 7.815 2.570 3.195 103 HG12 VAL 12 HG12 VAL 12 8.474 1.321 4.244 104 HG13 VAL 12 HG13 VAL 12 9.089 2.961 4.350 105 HG21 VAL 12 HG21 VAL 12 7.689 4.724 5.178 106 HG22 VAL 12 HG22 VAL 12 6.122 4.383 5.912 107 HG23 VAL 12 HG23 VAL 12 6.321 4.285 4.161 108 H LYS 13 H LYS 13 3.982 3.315 5.158 109 HA LYS 13 HA LYS 13 2.854 2.651 2.605 110 HB2 LYS 13 HB2 LYS 13 2.105 4.975 4.372 111 HB3 LYS 13 HB3 LYS 13 1.100 4.165 3.187 112 HG2 LYS 13 HG2 LYS 13 1.049 2.169 4.585 113 HG3 LYS 13 HG3 LYS 13 2.079 2.973 5.771 114 HD2 LYS 13 HD2 LYS 13 0.331 4.730 6.006 115 HD3 LYS 13 HD3 LYS 13 -0.708 3.779 4.944 116 HE2 LYS 13 HE2 LYS 13 0.398 2.908 7.612 117 HE3 LYS 13 HE3 LYS 13 -1.261 3.400 7.287 118 HZ1 LYS 13 HZ1 LYS 13 -1.465 1.504 5.778 119 HZ2 LYS 13 HZ2 LYS 13 -1.083 1.012 7.347 120 HZ3 LYS 13 HZ3 LYS 13 0.113 1.022 6.155 121 H VAL 14 H VAL 14 4.242 3.239 0.981 122 HA VAL 14 HA VAL 14 5.536 5.826 0.959 123 HB VAL 14 HB VAL 14 5.561 4.424 -1.599 124 HG11 VAL 14 HG11 VAL 14 7.742 5.222 0.308 125 HG12 VAL 14 HG12 VAL 14 7.092 6.208 -1.010 126 HG13 VAL 14 HG13 VAL 14 7.961 4.715 -1.368 127 HG21 VAL 14 HG21 VAL 14 6.608 2.947 0.806 128 HG22 VAL 14 HG22 VAL 14 7.036 2.587 -0.867 129 HG23 VAL 14 HG23 VAL 14 5.371 2.402 -0.329 130 H GLY 15 H GLY 15 2.529 4.641 0.056 131 HA2 GLY 15 HA2 GLY 15 2.069 6.976 -1.680 132 HA3 GLY 15 HA3 GLY 15 1.547 5.378 -2.197 133 H SER 16 H SER 16 1.442 6.911 0.970 134 HA SER 16 HA SER 16 -1.346 7.456 0.886 135 HB2 SER 16 HB2 SER 16 -1.349 4.975 1.181 136 HB3 SER 16 HB3 SER 16 -0.471 5.184 2.688 137 HG SER 16 HG SER 16 -2.260 6.418 3.452 138 H LEU 17 H LEU 17 -0.592 9.445 1.504 139 HA LEU 17 HA LEU 17 0.598 9.600 4.183 140 HB2 LEU 17 HB2 LEU 17 1.570 11.758 3.537 141 HB3 LEU 17 HB3 LEU 17 2.156 10.447 2.538 142 HG LEU 17 HG LEU 17 -0.121 12.137 1.562 143 HD11 LEU 17 HD11 LEU 17 2.807 12.832 1.401 144 HD12 LEU 17 HD12 LEU 17 1.561 13.741 2.255 145 HD13 LEU 17 HD13 LEU 17 1.519 13.625 0.496 146 HD21 LEU 17 HD21 LEU 17 2.161 10.762 0.151 147 HD22 LEU 17 HD22 LEU 17 0.779 11.553 -0.605 148 HD23 LEU 17 HD23 LEU 17 0.546 10.088 0.347 149 H GLU 18 H GLU 18 -1.948 10.457 2.129 150 HA GLU 18 HA GLU 18 -2.998 12.508 3.856 151 HB2 GLU 18 HB2 GLU 18 -4.095 11.175 1.382 152 HB3 GLU 18 HB3 GLU 18 -4.979 12.394 2.290 153 HG2 GLU 18 HG2 GLU 18 -2.268 12.826 1.057 154 HG3 GLU 18 HG3 GLU 18 -3.798 13.278 0.304 155 H SER 19 H SER 19 -2.544 10.202 5.228 156 HA SER 19 HA SER 19 -5.166 8.946 5.625 157 HB2 SER 19 HB2 SER 19 -2.433 8.181 6.681 158 HB3 SER 19 HB3 SER 19 -3.915 7.262 6.879 159 HG SER 19 HG SER 19 -3.980 7.204 4.501 160 H SER 20 H SER 20 -3.484 11.467 6.691 161 HA SER 20 HA SER 20 -3.270 11.358 9.441 162 HB2 SER 20 HB2 SER 20 -3.971 13.847 7.886 163 HB3 SER 20 HB3 SER 20 -3.028 13.729 9.371 164 HG SER 20 HG SER 20 -1.540 12.400 8.038 165 H MET 21 H MET 21 -5.967 12.882 7.619 166 HA MET 21 HA MET 21 -7.518 12.867 10.109 167 HB2 MET 21 HB2 MET 21 -8.988 14.488 9.045 168 HB3 MET 21 HB3 MET 21 -7.320 15.035 8.946 169 HG2 MET 21 HG2 MET 21 -7.184 14.417 6.642 170 HG3 MET 21 HG3 MET 21 -8.763 13.636 6.706 171 HE1 MET 21 HE1 MET 21 -11.199 16.644 7.057 172 HE2 MET 21 HE2 MET 21 -10.510 15.708 8.382 173 HE3 MET 21 HE3 MET 21 -11.033 14.895 6.907 174 H VAL 22 H VAL 22 -7.168 11.229 7.194 175 HA VAL 22 HA VAL 22 -9.736 9.898 7.616 176 HB VAL 22 HB VAL 22 -10.133 11.409 5.792 177 HG11 VAL 22 HG11 VAL 22 -8.867 11.302 3.686 178 HG12 VAL 22 HG12 VAL 22 -7.722 10.203 4.457 179 HG13 VAL 22 HG13 VAL 22 -7.893 11.856 5.048 180 HG21 VAL 22 HG21 VAL 22 -11.208 9.262 5.601 181 HG22 VAL 22 HG22 VAL 22 -9.782 8.579 4.822 182 HG23 VAL 22 HG23 VAL 22 -10.729 9.815 3.996 183 H SER 23 H SER 23 -9.101 7.984 8.334 184 HA SER 23 HA SER 23 -6.698 6.699 7.702 185 HB2 SER 23 HB2 SER 23 -9.289 5.465 8.672 186 HB3 SER 23 HB3 SER 23 -7.691 4.723 8.762 187 HG SER 23 HG SER 23 -7.596 7.171 9.849 188 H THR 24 H THR 24 -6.071 5.744 5.916 189 HA THR 24 HA THR 24 -7.931 5.438 3.726 190 HB THR 24 HB THR 24 -5.013 4.683 3.684 191 HG1 THR 24 HG1 THR 24 -6.210 7.180 4.002 192 HG21 THR 24 HG21 THR 24 -5.167 5.420 1.353 193 HG22 THR 24 HG22 THR 24 -6.860 5.849 1.592 194 HG23 THR 24 HG23 THR 24 -6.357 4.161 1.688 195 H ASP 25 H ASP 25 -7.893 3.665 6.166 196 HA ASP 25 HA ASP 25 -7.440 1.026 5.003 197 HB2 ASP 25 HB2 ASP 25 -8.392 1.854 7.762 198 HB3 ASP 25 HB3 ASP 25 -8.062 0.201 7.260 199 H SER 26 H SER 26 -9.793 3.364 5.400 200 HA SER 26 HA SER 26 -12.163 1.955 5.763 201 HB2 SER 26 HB2 SER 26 -11.956 4.390 5.956 202 HB3 SER 26 HB3 SER 26 -11.640 4.511 4.228 203 HG SER 26 HG SER 26 -13.715 4.448 3.889 204 H LEU 27 H LEU 27 -13.561 0.953 4.420 205 HA LEU 27 HA LEU 27 -12.620 -0.042 1.914 206 HB2 LEU 27 HB2 LEU 27 -15.228 -0.295 3.382 207 HB3 LEU 27 HB3 LEU 27 -14.993 -0.969 1.782 208 HG LEU 27 HG LEU 27 -12.976 -2.198 2.821 209 HD11 LEU 27 HD11 LEU 27 -14.521 -1.542 5.324 210 HD12 LEU 27 HD12 LEU 27 -12.899 -0.975 4.923 211 HD13 LEU 27 HD13 LEU 27 -13.190 -2.692 5.198 212 HD21 LEU 27 HD21 LEU 27 -15.789 -2.930 3.591 213 HD22 LEU 27 HD22 LEU 27 -14.412 -4.029 3.511 214 HD23 LEU 27 HD23 LEU 27 -15.013 -3.261 2.043 215 H GLY 28 H GLY 28 -14.060 0.092 -0.062 216 HA2 GLY 28 HA2 GLY 28 -14.198 2.889 -0.721 217 HA3 GLY 28 HA3 GLY 28 -14.438 1.544 -1.822 218 H PHE 29 H PHE 29 -16.085 2.852 1.054 219 HA PHE 29 HA PHE 29 -18.587 2.838 -0.511 220 HB2 PHE 29 HB2 PHE 29 -18.350 2.603 2.498 221 HB3 PHE 29 HB3 PHE 29 -19.824 2.495 1.552 222 HD1 PHE 29 HD1 PHE 29 -18.089 0.549 3.517 223 HD2 PHE 29 HD2 PHE 29 -19.057 0.701 -0.623 224 HE1 PHE 29 HE1 PHE 29 -17.787 -1.885 3.362 225 HE2 PHE 29 HE2 PHE 29 -18.758 -1.735 -0.784 226 HZ PHE 29 HZ PHE 29 -18.123 -3.029 1.210 227 H GLN 30 H GLN 30 -19.345 4.289 2.297 228 HA GLN 30 HA GLN 30 -18.319 6.905 1.447 229 HB2 GLN 30 HB2 GLN 30 -21.096 6.307 2.485 230 HB3 GLN 30 HB3 GLN 30 -20.459 7.917 2.192 231 HG2 GLN 30 HG2 GLN 30 -20.549 5.878 0.008 232 HG3 GLN 30 HG3 GLN 30 -21.972 6.826 0.426 233 HE21 GLN 30 HE21 GLN 30 -18.787 8.209 0.704 234 HE22 GLN 30 HE22 GLN 30 -18.917 9.264 -0.654 235 H HIS 31 H HIS 31 -20.374 6.107 4.195 236 HA HIS 31 HA HIS 31 -18.102 6.703 5.968 237 HB2 HIS 31 HB2 HIS 31 -19.817 8.557 5.849 238 HB3 HIS 31 HB3 HIS 31 -20.987 7.431 6.525 239 HD1 HIS 31 HD1 HIS 31 -18.383 9.814 7.470 240 HD2 HIS 31 HD2 HIS 31 -20.298 6.570 9.231 241 HE1 HIS 31 HE1 HIS 31 -17.914 10.004 9.930 242 HE2 HIS 31 HE2 HIS 31 -18.950 7.948 10.951 243 H LEU 32 H LEU 32 -17.656 4.547 6.303 244 HA LEU 32 HA LEU 32 -19.849 2.850 7.237 245 HB2 LEU 32 HB2 LEU 32 -18.235 0.969 6.867 246 HB3 LEU 32 HB3 LEU 32 -18.761 1.801 5.428 247 HG LEU 32 HG LEU 32 -16.203 2.688 6.675 248 HD11 LEU 32 HD11 LEU 32 -14.979 0.914 5.516 249 HD12 LEU 32 HD12 LEU 32 -16.508 0.149 5.082 250 HD13 LEU 32 HD13 LEU 32 -16.029 0.267 6.776 251 HD21 LEU 32 HD21 LEU 32 -16.857 2.165 3.792 252 HD22 LEU 32 HD22 LEU 32 -15.589 3.192 4.458 253 HD23 LEU 32 HD23 LEU 32 -17.280 3.674 4.590 254 H THR 33 H THR 33 -19.339 1.280 8.871 255 HA THR 33 HA THR 33 -17.371 2.175 10.852 256 HB THR 33 HB THR 33 -19.049 1.598 12.622 257 HG1 THR 33 HG1 THR 33 -21.306 1.861 11.338 258 HG21 THR 33 HG21 THR 33 -19.913 3.774 10.711 259 HG22 THR 33 HG22 THR 33 -18.693 3.939 11.974 260 HG23 THR 33 HG23 THR 33 -20.377 3.646 12.407 261 H ASN 34 H ASN 34 -17.670 0.239 12.728 262 HA ASN 34 HA ASN 34 -16.649 -2.119 11.625 263 HB2 ASN 34 HB2 ASN 34 -17.023 -3.142 13.793 264 HB3 ASN 34 HB3 ASN 34 -16.464 -1.492 14.031 265 HD21 ASN 34 HD21 ASN 34 -17.834 0.016 14.937 266 HD22 ASN 34 HD22 ASN 34 -19.344 -0.414 15.667 267 H GLU 35 H GLU 35 -19.879 -0.969 11.970 268 HA GLU 35 HA GLU 35 -21.202 -3.492 11.699 269 HB2 GLU 35 HB2 GLU 35 -22.444 -0.833 11.059 270 HB3 GLU 35 HB3 GLU 35 -23.200 -2.263 11.748 271 HG2 GLU 35 HG2 GLU 35 -21.940 -1.904 13.814 272 HG3 GLU 35 HG3 GLU 35 -21.246 -0.443 13.130 273 H GLU 36 H GLU 36 -20.736 -0.686 9.600 274 HA GLU 36 HA GLU 36 -22.151 -1.752 7.409 275 HB2 GLU 36 HB2 GLU 36 -20.044 0.404 7.345 276 HB3 GLU 36 HB3 GLU 36 -21.337 0.156 6.180 277 HG2 GLU 36 HG2 GLU 36 -21.645 0.988 9.055 278 HG3 GLU 36 HG3 GLU 36 -21.855 2.011 7.635 279 H ARG 37 H ARG 37 -18.763 -1.905 8.327 280 HA ARG 37 HA ARG 37 -17.856 -2.879 5.797 281 HB2 ARG 37 HB2 ARG 37 -15.788 -3.428 6.943 282 HB3 ARG 37 HB3 ARG 37 -16.307 -1.804 7.366 283 HG2 ARG 37 HG2 ARG 37 -17.123 -2.608 9.503 284 HG3 ARG 37 HG3 ARG 37 -16.689 -4.263 9.066 285 HD2 ARG 37 HD2 ARG 37 -14.767 -1.955 9.335 286 HD3 ARG 37 HD3 ARG 37 -15.016 -3.221 10.536 287 HE ARG 37 HE ARG 37 -14.261 -4.784 8.687 288 HH11 ARG 37 HH11 ARG 37 -13.168 -1.469 8.940 289 HH12 ARG 37 HH12 ARG 37 -11.663 -1.768 8.133 290 HH21 ARG 37 HH21 ARG 37 -12.266 -5.184 7.634 291 HH22 ARG 37 HH22 ARG 37 -11.152 -3.872 7.394 292 H ASN 38 H ASN 38 -19.313 -4.267 8.554 293 HA ASN 38 HA ASN 38 -18.441 -6.949 8.143 294 HB2 ASN 38 HB2 ASN 38 -19.107 -6.241 10.359 295 HB3 ASN 38 HB3 ASN 38 -20.717 -5.821 9.785 296 HD21 ASN 38 HD21 ASN 38 -22.232 -7.415 9.510 297 HD22 ASN 38 HD22 ASN 38 -21.983 -9.055 10.004 298 H ASP 39 H ASP 39 -21.544 -5.273 7.516 299 HA ASP 39 HA ASP 39 -22.632 -7.657 6.316 300 HB2 ASP 39 HB2 ASP 39 -24.672 -6.491 6.087 301 HB3 ASP 39 HB3 ASP 39 -23.983 -5.922 7.599 302 H MET 40 H MET 40 -21.092 -4.740 5.178 303 HA MET 40 HA MET 40 -21.683 -5.513 2.409 304 HB2 MET 40 HB2 MET 40 -20.638 -2.932 3.573 305 HB3 MET 40 HB3 MET 40 -20.762 -3.243 1.848 306 HG2 MET 40 HG2 MET 40 -23.052 -3.223 3.797 307 HG3 MET 40 HG3 MET 40 -22.633 -1.926 2.679 308 HE1 MET 40 HE1 MET 40 -25.920 -3.289 1.110 309 HE2 MET 40 HE2 MET 40 -25.035 -1.850 1.614 310 HE3 MET 40 HE3 MET 40 -25.521 -3.049 2.812 311 H ILE 41 H ILE 41 -19.631 -6.773 4.231 312 HA ILE 41 HA ILE 41 -17.074 -5.895 3.499 313 HB ILE 41 HB ILE 41 -17.536 -7.440 5.420 314 HG12 ILE 41 HG12 ILE 41 -15.456 -8.785 5.111 315 HG13 ILE 41 HG13 ILE 41 -15.428 -8.291 3.423 316 HG21 ILE 41 HG21 ILE 41 -17.677 -9.521 3.253 317 HG22 ILE 41 HG22 ILE 41 -19.006 -9.016 4.300 318 HG23 ILE 41 HG23 ILE 41 -17.610 -9.848 4.985 319 HD11 ILE 41 HD11 ILE 41 -13.894 -6.990 4.816 320 HD12 ILE 41 HD12 ILE 41 -15.262 -6.420 5.772 321 HD13 ILE 41 HD13 ILE 41 -15.134 -5.985 4.069 322 H SER 42 H SER 42 -16.135 -5.891 1.640 323 HA SER 42 HA SER 42 -16.085 -8.189 -0.067 324 HB2 SER 42 HB2 SER 42 -18.212 -7.036 -0.699 325 HB3 SER 42 HB3 SER 42 -17.275 -5.626 -1.165 326 HG SER 42 HG SER 42 -16.977 -6.558 -3.005 327 H TYR 43 H TYR 43 -14.454 -6.359 1.530 328 HA TYR 43 HA TYR 43 -12.439 -5.322 1.482 329 HB2 TYR 43 HB2 TYR 43 -11.980 -7.491 0.271 330 HB3 TYR 43 HB3 TYR 43 -12.099 -6.590 -1.227 331 HD1 TYR 43 HD1 TYR 43 -10.433 -5.756 2.017 332 HD2 TYR 43 HD2 TYR 43 -10.003 -6.435 -2.158 333 HE1 TYR 43 HE1 TYR 43 -8.060 -5.130 2.165 334 HE2 TYR 43 HE2 TYR 43 -7.633 -5.813 -2.022 335 HH TYR 43 HH TYR 43 -6.198 -4.396 -0.534 336 H LYS 44 H LYS 44 -12.403 -5.148 -1.958 337 HA LYS 44 HA LYS 44 -13.444 -2.416 -1.993 338 HB2 LYS 44 HB2 LYS 44 -10.804 -3.214 -3.235 339 HB3 LYS 44 HB3 LYS 44 -11.592 -1.661 -3.434 340 HG2 LYS 44 HG2 LYS 44 -10.608 -2.746 -0.806 341 HG3 LYS 44 HG3 LYS 44 -9.699 -1.647 -1.841 342 HD2 LYS 44 HD2 LYS 44 -12.028 -0.300 -1.624 343 HD3 LYS 44 HD3 LYS 44 -11.988 -1.126 -0.063 344 HE2 LYS 44 HE2 LYS 44 -10.013 0.822 -1.213 345 HE3 LYS 44 HE3 LYS 44 -10.893 0.919 0.309 346 HZ1 LYS 44 HZ1 LYS 44 -8.626 -0.886 -0.355 347 HZ2 LYS 44 HZ2 LYS 44 -9.572 -1.051 1.043 348 HZ3 LYS 44 HZ3 LYS 44 -8.660 0.351 0.802 349 H GLU 45 H GLU 45 -14.806 -2.185 -3.658 350 HA GLU 45 HA GLU 45 -15.338 -4.332 -5.429 351 HB2 GLU 45 HB2 GLU 45 -16.314 -1.480 -5.352 352 HB3 GLU 45 HB3 GLU 45 -16.888 -2.660 -6.509 353 HG2 GLU 45 HG2 GLU 45 -17.102 -2.900 -3.553 354 HG3 GLU 45 HG3 GLU 45 -18.404 -2.434 -4.636 355 H ASN 46 H ASN 46 -13.096 -1.801 -5.543 356 HA ASN 46 HA ASN 46 -12.855 -1.854 -8.451 357 HB2 ASN 46 HB2 ASN 46 -11.300 -0.314 -6.363 358 HB3 ASN 46 HB3 ASN 46 -11.088 -0.153 -8.101 359 HD21 ASN 46 HD21 ASN 46 -13.900 -0.333 -8.734 360 HD22 ASN 46 HD22 ASN 46 -14.617 1.154 -8.210 361 H GLY 47 H GLY 47 -11.925 -3.844 -6.063 362 HA2 GLY 47 HA2 GLY 47 -10.430 -5.639 -6.229 363 HA3 GLY 47 HA3 GLY 47 -9.621 -4.810 -7.565 364 H ASP 48 H ASP 48 -9.830 -2.427 -5.548 365 HA ASP 48 HA ASP 48 -8.557 -1.323 -4.052 366 HB2 ASP 48 HB2 ASP 48 -8.941 -3.302 -2.607 367 HB3 ASP 48 HB3 ASP 48 -7.503 -4.033 -3.289 368 H VAL 49 H VAL 49 -6.453 -0.473 -3.827 369 HA VAL 49 HA VAL 49 -4.518 -1.484 -5.790 370 HB VAL 49 HB VAL 49 -3.579 0.907 -5.541 371 HG11 VAL 49 HG11 VAL 49 -4.555 0.107 -7.592 372 HG12 VAL 49 HG12 VAL 49 -5.139 1.741 -7.283 373 HG13 VAL 49 HG13 VAL 49 -6.181 0.356 -6.959 374 HG21 VAL 49 HG21 VAL 49 -6.406 1.327 -4.545 375 HG22 VAL 49 HG22 VAL 49 -5.326 2.614 -5.043 376 HG23 VAL 49 HG23 VAL 49 -4.924 1.626 -3.639 377 H HIS 50 H HIS 50 -3.590 -2.936 -4.367 378 HA HIS 50 HA HIS 50 -2.226 -1.792 -2.034 379 HB2 HIS 50 HB2 HIS 50 -3.879 -3.723 -1.693 380 HB3 HIS 50 HB3 HIS 50 -2.706 -4.732 -2.533 381 HD1 HIS 50 HD1 HIS 50 -3.607 -3.612 0.767 382 HD2 HIS 50 HD2 HIS 50 -0.083 -4.719 -1.135 383 HE1 HIS 50 HE1 HIS 50 -1.977 -4.110 2.610 384 HE2 HIS 50 HE2 HIS 50 0.061 -5.001 1.430 385 H VAL 51 H VAL 51 -0.333 -1.161 -2.755 386 HA VAL 51 HA VAL 51 1.018 -2.781 -4.799 387 HB VAL 51 HB VAL 51 0.942 0.198 -4.322 388 HG11 VAL 51 HG11 VAL 51 2.468 -1.288 -6.439 389 HG12 VAL 51 HG12 VAL 51 3.165 -0.426 -5.065 390 HG13 VAL 51 HG13 VAL 51 2.284 0.463 -6.309 391 HG21 VAL 51 HG21 VAL 51 -0.089 -1.515 -6.569 392 HG22 VAL 51 HG22 VAL 51 -0.097 0.248 -6.550 393 HG23 VAL 51 HG23 VAL 51 -1.050 -0.650 -5.369 394 H LEU 52 H LEU 52 2.856 -3.724 -4.105 395 HA LEU 52 HA LEU 52 4.270 -2.542 -1.829 396 HB2 LEU 52 HB2 LEU 52 4.901 -5.149 -3.216 397 HB3 LEU 52 HB3 LEU 52 5.537 -4.581 -1.688 398 HG LEU 52 HG LEU 52 2.657 -5.338 -2.189 399 HD11 LEU 52 HD11 LEU 52 4.865 -6.777 -0.726 400 HD12 LEU 52 HD12 LEU 52 4.136 -7.264 -2.256 401 HD13 LEU 52 HD13 LEU 52 3.173 -7.271 -0.778 402 HD21 LEU 52 HD21 LEU 52 4.106 -4.572 0.344 403 HD22 LEU 52 HD22 LEU 52 2.450 -5.169 0.250 404 HD23 LEU 52 HD23 LEU 52 2.871 -3.620 -0.479 405 H THR 53 H THR 53 6.154 -1.520 -2.042 406 HA THR 53 HA THR 53 7.778 -1.845 -4.402 407 HB THR 53 HB THR 53 6.010 -0.214 -5.113 408 HG1 THR 53 HG1 THR 53 7.848 1.532 -5.486 409 HG21 THR 53 HG21 THR 53 6.046 2.047 -4.204 410 HG22 THR 53 HG22 THR 53 7.285 1.573 -3.042 411 HG23 THR 53 HG23 THR 53 5.668 0.876 -2.940 412 H ILE 54 H ILE 54 9.478 0.174 -4.224 413 HA ILE 54 HA ILE 54 10.644 -0.231 -1.583 414 HB ILE 54 HB ILE 54 11.678 0.090 -4.285 415 HG12 ILE 54 HG12 ILE 54 13.019 -0.901 -1.772 416 HG13 ILE 54 HG13 ILE 54 11.904 -1.852 -2.722 417 HG21 ILE 54 HG21 ILE 54 13.097 1.585 -2.095 418 HG22 ILE 54 HG22 ILE 54 12.364 2.284 -3.536 419 HG23 ILE 54 HG23 ILE 54 13.761 1.220 -3.686 420 HD11 ILE 54 HD11 ILE 54 14.496 -0.721 -3.708 421 HD12 ILE 54 HD12 ILE 54 13.382 -1.726 -4.635 422 HD13 ILE 54 HD13 ILE 54 14.215 -2.393 -3.230 423 H CYS 55 H CYS 55 10.701 1.293 -0.107 424 HA CYS 55 HA CYS 55 9.640 3.898 -0.576 425 HB2 CYS 55 HB2 CYS 55 10.015 4.308 1.758 426 HB3 CYS 55 HB3 CYS 55 9.453 2.649 1.609 427 H GLU 56 H GLU 56 10.890 5.909 0.026 428 HA GLU 56 HA GLU 56 13.148 6.237 -1.579 429 HB2 GLU 56 HB2 GLU 56 11.740 8.085 -0.710 430 HB3 GLU 56 HB3 GLU 56 12.396 7.818 0.896 431 HG2 GLU 56 HG2 GLU 56 14.637 8.350 0.029 432 HG3 GLU 56 HG3 GLU 56 13.918 8.712 -1.539 433 H ASP 57 H ASP 57 12.900 5.454 1.870 434 HA ASP 57 HA ASP 57 15.581 5.574 2.592 435 HB2 ASP 57 HB2 ASP 57 13.950 5.259 4.300 436 HB3 ASP 57 HB3 ASP 57 13.335 3.796 3.539 437 H CYS 58 H CYS 58 13.765 2.788 1.317 438 HA CYS 58 HA CYS 58 16.004 1.060 1.109 439 HB2 CYS 58 HB2 CYS 58 13.291 1.085 -0.191 440 HB3 CYS 58 HB3 CYS 58 14.488 -0.148 -0.570 441 H GLN 59 H GLN 59 14.356 3.128 -1.200 442 HA GLN 59 HA GLN 59 15.784 2.774 -3.506 443 HB2 GLN 59 HB2 GLN 59 13.862 4.209 -3.410 444 HB3 GLN 59 HB3 GLN 59 14.649 5.273 -2.258 445 HG2 GLN 59 HG2 GLN 59 14.605 6.345 -4.381 446 HG3 GLN 59 HG3 GLN 59 16.271 5.894 -4.020 447 HE21 GLN 59 HE21 GLN 59 16.808 5.968 -6.188 448 HE22 GLN 59 HE22 GLN 59 16.320 4.735 -7.284 449 H GLU 60 H GLU 60 16.714 4.598 -0.649 450 HA GLU 60 HA GLU 60 18.972 5.793 -1.852 451 HB2 GLU 60 HB2 GLU 60 17.727 5.682 0.792 452 HB3 GLU 60 HB3 GLU 60 19.453 5.873 0.799 453 HG2 GLU 60 HG2 GLU 60 19.186 7.798 -0.748 454 HG3 GLU 60 HG3 GLU 60 17.458 7.636 -0.505 455 H ALA 61 H ALA 61 18.489 2.940 0.172 456 HA ALA 61 HA ALA 61 21.233 2.258 0.440 457 HB1 ALA 61 HB1 ALA 61 20.387 0.010 1.003 458 HB2 ALA 61 HB2 ALA 61 18.773 0.497 0.488 459 HB3 ALA 61 HB3 ALA 61 19.528 1.275 1.880 460 H LEU 62 H LEU 62 18.765 1.781 -1.891 461 HA LEU 62 HA LEU 62 19.894 -0.124 -3.590 462 HB2 LEU 62 HB2 LEU 62 17.694 1.717 -3.495 463 HB3 LEU 62 HB3 LEU 62 18.411 1.742 -5.093 464 HG LEU 62 HG LEU 62 18.217 -0.728 -5.087 465 HD11 LEU 62 HD11 LEU 62 16.589 -1.745 -3.558 466 HD12 LEU 62 HD12 LEU 62 16.509 -0.219 -2.677 467 HD13 LEU 62 HD13 LEU 62 18.016 -1.131 -2.725 468 HD21 LEU 62 HD21 LEU 62 15.818 -0.717 -5.648 469 HD22 LEU 62 HD22 LEU 62 16.678 0.660 -6.339 470 HD23 LEU 62 HD23 LEU 62 15.682 0.875 -4.901 471 H ASP 63 H ASP 63 19.676 3.341 -4.018 472 HA ASP 63 HA ASP 63 21.486 3.529 -6.168 473 HB2 ASP 63 HB2 ASP 63 19.794 5.209 -5.803 474 HB3 ASP 63 HB3 ASP 63 20.443 5.598 -4.218 475 H ARG 64 H ARG 64 22.046 3.082 -2.855 476 HA ARG 64 HA ARG 64 24.462 4.558 -2.583 477 HB2 ARG 64 HB2 ARG 64 23.058 4.006 -0.662 478 HB3 ARG 64 HB3 ARG 64 23.366 2.295 -0.915 479 HG2 ARG 64 HG2 ARG 64 25.696 2.586 -0.379 480 HG3 ARG 64 HG3 ARG 64 25.480 4.334 -0.256 481 HD2 ARG 64 HD2 ARG 64 25.520 3.325 1.952 482 HD3 ARG 64 HD3 ARG 64 23.932 4.009 1.608 483 HE ARG 64 HE ARG 64 24.297 1.167 1.085 484 HH11 ARG 64 HH11 ARG 64 23.043 3.668 3.191 485 HH12 ARG 64 HH12 ARG 64 22.018 2.582 4.074 486 HH21 ARG 64 HH21 ARG 64 22.945 -0.255 2.229 487 HH22 ARG 64 HH22 ARG 64 21.968 0.343 3.535 488 H ASN 65 H ASN 65 24.113 0.989 -2.332 489 HA ASN 65 HA ASN 65 26.764 0.842 -3.590 490 HB2 ASN 65 HB2 ASN 65 25.854 -0.650 -1.137 491 HB3 ASN 65 HB3 ASN 65 27.275 -1.103 -2.062 492 HD21 ASN 65 HD21 ASN 65 27.025 -0.218 0.694 493 HD22 ASN 65 HD22 ASN 65 28.037 1.178 0.837 494 HA PRO 66 HA PRO 66 24.998 -3.340 -4.756 495 HB2 PRO 66 HB2 PRO 66 22.743 -4.371 -3.828 496 HB3 PRO 66 HB3 PRO 66 24.159 -4.257 -2.776 497 HG2 PRO 66 HG2 PRO 66 21.763 -2.470 -2.921 498 HG3 PRO 66 HG3 PRO 66 22.578 -3.142 -1.499 499 HD2 PRO 66 HD2 PRO 66 23.008 -0.607 -2.486 500 HD3 PRO 66 HD3 PRO 66 24.164 -1.509 -1.496 501 H HIS 67 H HIS 67 22.314 -4.282 -5.393 502 HA HIS 67 HA HIS 67 21.184 -2.221 -7.071 503 HB2 HIS 67 HB2 HIS 67 21.508 -3.496 -9.169 504 HB3 HIS 67 HB3 HIS 67 23.025 -2.942 -8.476 505 HD1 HIS 67 HD1 HIS 67 21.938 -5.660 -10.249 506 HD2 HIS 67 HD2 HIS 67 23.849 -5.359 -6.560 507 HE1 HIS 67 HE1 HIS 67 23.064 -7.881 -9.885 508 HE2 HIS 67 HE2 HIS 67 24.074 -7.731 -7.580 509 H TYR 68 H TYR 68 19.112 -2.438 -6.706 510 HA TYR 68 HA TYR 68 17.935 -5.140 -6.719 511 HB2 TYR 68 HB2 TYR 68 17.509 -3.883 -4.626 512 HB3 TYR 68 HB3 TYR 68 16.832 -2.563 -5.568 513 HD1 TYR 68 HD1 TYR 68 14.664 -2.820 -6.702 514 HD2 TYR 68 HD2 TYR 68 16.201 -5.865 -4.161 515 HE1 TYR 68 HE1 TYR 68 12.434 -3.832 -6.585 516 HE2 TYR 68 HE2 TYR 68 13.968 -6.890 -4.037 517 HH TYR 68 HH TYR 68 11.400 -5.964 -6.114 518 H HIS 69 H HIS 69 17.401 -1.801 -7.666 519 HA HIS 69 HA HIS 69 15.594 -2.627 -9.803 520 HB2 HIS 69 HB2 HIS 69 14.896 -0.764 -8.359 521 HB3 HIS 69 HB3 HIS 69 16.360 0.115 -8.763 522 HD1 HIS 69 HD1 HIS 69 13.019 -0.850 -10.148 523 HD2 HIS 69 HD2 HIS 69 16.317 1.438 -11.215 524 HE1 HIS 69 HE1 HIS 69 12.274 0.535 -12.109 525 HE2 HIS 69 HE2 HIS 69 14.233 2.037 -12.617 526 H GLU 70 H GLU 70 16.675 -3.319 -11.529 527 HA GLU 70 HA GLU 70 19.333 -2.499 -12.150 528 HB2 GLU 70 HB2 GLU 70 17.332 -4.117 -13.736 529 HB3 GLU 70 HB3 GLU 70 19.022 -3.919 -14.170 530 HG2 GLU 70 HG2 GLU 70 18.122 -5.122 -11.568 531 HG3 GLU 70 HG3 GLU 70 18.421 -6.068 -13.023 532 H TYR 71 H TYR 71 19.090 -0.204 -12.397 533 HA TYR 71 HA TYR 71 17.524 0.788 -14.613 534 HB2 TYR 71 HB2 TYR 71 18.719 2.981 -14.032 535 HB3 TYR 71 HB3 TYR 71 17.621 2.317 -12.833 536 HD1 TYR 71 HD1 TYR 71 21.263 2.272 -13.725 537 HD2 TYR 71 HD2 TYR 71 18.328 2.212 -10.642 538 HE1 TYR 71 HE1 TYR 71 23.040 2.414 -12.029 539 HE2 TYR 71 HE2 TYR 71 20.098 2.343 -8.943 540 HH TYR 71 HH TYR 71 22.491 1.817 -8.734 541 H HIS 72 H HIS 72 20.842 -0.023 -13.943 542 HA HIS 72 HA HIS 72 22.721 -0.140 -15.209 543 HB2 HIS 72 HB2 HIS 72 20.698 -0.632 -17.399 544 HB3 HIS 72 HB3 HIS 72 22.422 -0.950 -17.519 545 HD1 HIS 72 HD1 HIS 72 19.794 -2.962 -17.515 546 HD2 HIS 72 HD2 HIS 72 22.793 -2.558 -14.666 547 HE1 HIS 72 HE1 HIS 72 19.821 -5.130 -16.256 548 HE2 HIS 72 HE2 HIS 72 21.466 -4.766 -14.382 549 H THR 73 H THR 73 23.370 2.022 -14.964 550 HA THR 73 HA THR 73 23.009 3.609 -17.407 551 HB THR 73 HB THR 73 21.781 4.645 -15.528 552 HG1 THR 73 HG1 THR 73 22.581 6.048 -17.069 553 HG21 THR 73 HG21 THR 73 23.180 3.902 -13.665 554 HG22 THR 73 HG22 THR 73 22.999 5.656 -13.660 555 HG23 THR 73 HG23 THR 73 24.497 4.926 -14.237 Start of MODEL 6 1 H1 GLN -1 H1 GLN -1 -9.000 13.327 -7.296 2 H2 GLN -1 H2 GLN -1 -9.907 13.438 -5.875 3 H3 GLN -1 H3 GLN -1 -10.594 12.765 -7.260 4 HA GLN -1 HA GLN -1 -9.968 11.090 -5.624 5 HB2 GLN -1 HB2 GLN -1 -8.454 11.091 -8.242 6 HB3 GLN -1 HB3 GLN -1 -8.541 9.696 -7.179 7 HG2 GLN -1 HG2 GLN -1 -10.161 9.371 -8.859 8 HG3 GLN -1 HG3 GLN -1 -11.034 9.801 -7.392 9 HE21 GLN -1 HE21 GLN -1 -9.318 12.071 -9.459 10 HE22 GLN -1 HE22 GLN -1 -10.727 12.914 -10.007 11 H SER 0 H SER 0 -8.245 9.956 -4.549 12 HA SER 0 HA SER 0 -6.254 11.794 -3.591 13 HB2 SER 0 HB2 SER 0 -6.665 8.872 -2.918 14 HB3 SER 0 HB3 SER 0 -5.691 10.027 -2.005 15 HG SER 0 HG SER 0 -8.046 11.139 -2.254 16 H MET 1 H MET 1 -5.739 8.394 -4.527 17 HA MET 1 HA MET 1 -3.718 9.215 -6.463 18 HB2 MET 1 HB2 MET 1 -3.126 7.373 -4.135 19 HB3 MET 1 HB3 MET 1 -2.083 7.557 -5.536 20 HG2 MET 1 HG2 MET 1 -1.785 9.924 -4.995 21 HG3 MET 1 HG3 MET 1 -2.813 9.723 -3.579 22 HE1 MET 1 HE1 MET 1 0.703 10.187 -1.965 23 HE2 MET 1 HE2 MET 1 -0.984 10.699 -1.953 24 HE3 MET 1 HE3 MET 1 0.021 11.013 -3.367 25 H ALA 2 H ALA 2 -2.942 7.272 -7.734 26 HA ALA 2 HA ALA 2 -5.226 5.792 -8.580 27 HB1 ALA 2 HB1 ALA 2 -3.484 6.573 -10.142 28 HB2 ALA 2 HB2 ALA 2 -3.774 4.838 -10.260 29 HB3 ALA 2 HB3 ALA 2 -2.354 5.439 -9.404 30 H LEU 3 H LEU 3 -2.154 4.883 -7.129 31 HA LEU 3 HA LEU 3 -3.456 2.489 -6.027 32 HB2 LEU 3 HB2 LEU 3 -0.739 2.623 -7.329 33 HB3 LEU 3 HB3 LEU 3 -1.215 1.316 -6.265 34 HG LEU 3 HG LEU 3 -3.212 1.044 -7.918 35 HD11 LEU 3 HD11 LEU 3 -2.662 1.653 -10.209 36 HD12 LEU 3 HD12 LEU 3 -1.213 2.482 -9.640 37 HD13 LEU 3 HD13 LEU 3 -2.809 3.073 -9.174 38 HD21 LEU 3 HD21 LEU 3 -1.835 -0.444 -9.333 39 HD22 LEU 3 HD22 LEU 3 -1.543 -0.656 -7.607 40 HD23 LEU 3 HD23 LEU 3 -0.389 0.242 -8.592 41 H HIS 4 H HIS 4 -2.493 1.676 -4.098 42 HA HIS 4 HA HIS 4 -1.235 3.806 -2.509 43 HB2 HIS 4 HB2 HIS 4 -2.745 1.340 -1.664 44 HB3 HIS 4 HB3 HIS 4 -1.922 2.396 -0.541 45 HD1 HIS 4 HD1 HIS 4 -5.055 1.824 -0.660 46 HD2 HIS 4 HD2 HIS 4 -3.092 5.199 -2.082 47 HE1 HIS 4 HE1 HIS 4 -6.794 3.635 -0.727 48 HE2 HIS 4 HE2 HIS 4 -5.630 5.601 -1.792 49 H TYR 5 H TYR 5 0.766 3.614 -1.890 50 HA TYR 5 HA TYR 5 2.248 1.212 -2.614 51 HB2 TYR 5 HB2 TYR 5 3.061 4.012 -1.875 52 HB3 TYR 5 HB3 TYR 5 4.232 2.697 -1.931 53 HD1 TYR 5 HD1 TYR 5 1.807 2.127 -4.440 54 HD2 TYR 5 HD2 TYR 5 5.202 4.505 -3.521 55 HE1 TYR 5 HE1 TYR 5 2.178 2.509 -6.840 56 HE2 TYR 5 HE2 TYR 5 5.592 4.892 -5.892 57 HH TYR 5 HH TYR 5 5.073 3.900 -8.044 58 H TYR 6 H TYR 6 3.043 -0.189 -1.196 59 HA TYR 6 HA TYR 6 3.454 0.653 1.588 60 HB2 TYR 6 HB2 TYR 6 2.291 -2.006 0.716 61 HB3 TYR 6 HB3 TYR 6 2.662 -1.538 2.374 62 HD1 TYR 6 HD1 TYR 6 0.244 -1.395 -0.291 63 HD2 TYR 6 HD2 TYR 6 1.361 0.364 3.422 64 HE1 TYR 6 HE1 TYR 6 -2.003 -0.427 -0.081 65 HE2 TYR 6 HE2 TYR 6 -0.888 1.315 3.639 66 HH TYR 6 HH TYR 6 -3.499 0.387 1.737 67 H CYS 7 H CYS 7 5.482 0.129 2.314 68 HA CYS 7 HA CYS 7 7.226 -0.569 0.178 69 HB2 CYS 7 HB2 CYS 7 7.757 1.185 1.937 70 HB3 CYS 7 HB3 CYS 7 8.156 -0.161 2.985 71 H ARG 8 H ARG 8 8.404 -2.181 -0.232 72 HA ARG 8 HA ARG 8 8.175 -4.712 0.968 73 HB2 ARG 8 HB2 ARG 8 8.867 -4.579 -1.306 74 HB3 ARG 8 HB3 ARG 8 10.141 -3.432 -0.933 75 HG2 ARG 8 HG2 ARG 8 10.342 -6.112 0.306 76 HG3 ARG 8 HG3 ARG 8 10.597 -6.002 -1.440 77 HD2 ARG 8 HD2 ARG 8 12.041 -4.316 0.606 78 HD3 ARG 8 HD3 ARG 8 12.679 -5.807 -0.075 79 HE ARG 8 HE ARG 8 11.990 -3.560 -1.857 80 HH11 ARG 8 HH11 ARG 8 14.383 -5.699 -0.448 81 HH12 ARG 8 HH12 ARG 8 15.620 -5.269 -1.581 82 HH21 ARG 8 HH21 ARG 8 13.626 -3.003 -3.357 83 HH22 ARG 8 HH22 ARG 8 15.196 -3.728 -3.225 84 H HIS 9 H HIS 9 8.819 -5.177 2.934 85 HA HIS 9 HA HIS 9 10.333 -5.832 4.524 86 HB2 HIS 9 HB2 HIS 9 12.119 -5.880 2.844 87 HB3 HIS 9 HB3 HIS 9 12.343 -4.144 3.006 88 HD1 HIS 9 HD1 HIS 9 14.354 -3.619 4.317 89 HD2 HIS 9 HD2 HIS 9 12.541 -7.111 5.654 90 HE1 HIS 9 HE1 HIS 9 15.761 -4.417 6.230 91 HE2 HIS 9 HE2 HIS 9 14.536 -6.418 7.146 92 H CYS 10 H CYS 10 8.941 -3.005 4.094 93 HA CYS 10 HA CYS 10 9.898 -2.013 6.692 94 HB2 CYS 10 HB2 CYS 10 9.066 -0.279 4.386 95 HB3 CYS 10 HB3 CYS 10 9.565 0.290 5.965 96 H GLY 11 H GLY 11 7.244 -2.296 4.407 97 HA2 GLY 11 HA2 GLY 11 4.981 -2.465 4.824 98 HA3 GLY 11 HA3 GLY 11 5.321 -2.278 6.551 99 H VAL 12 H VAL 12 6.906 0.190 5.090 100 HA VAL 12 HA VAL 12 5.049 2.065 6.063 101 HB VAL 12 HB VAL 12 7.216 2.787 6.381 102 HG11 VAL 12 HG11 VAL 12 7.827 2.448 3.452 103 HG12 VAL 12 HG12 VAL 12 8.260 1.282 4.701 104 HG13 VAL 12 HG13 VAL 12 8.949 2.899 4.736 105 HG21 VAL 12 HG21 VAL 12 5.777 4.576 5.595 106 HG22 VAL 12 HG22 VAL 12 6.285 4.242 3.939 107 HG23 VAL 12 HG23 VAL 12 7.455 4.833 5.116 108 H LYS 13 H LYS 13 3.591 3.236 5.162 109 HA LYS 13 HA LYS 13 2.677 2.603 2.527 110 HB2 LYS 13 HB2 LYS 13 1.764 4.951 4.177 111 HB3 LYS 13 HB3 LYS 13 0.844 4.042 2.993 112 HG2 LYS 13 HG2 LYS 13 0.686 2.168 4.482 113 HG3 LYS 13 HG3 LYS 13 1.773 2.940 5.636 114 HD2 LYS 13 HD2 LYS 13 -0.190 3.532 6.612 115 HD3 LYS 13 HD3 LYS 13 -0.075 4.861 5.460 116 HE2 LYS 13 HE2 LYS 13 -1.664 2.317 5.132 117 HE3 LYS 13 HE3 LYS 13 -2.310 3.923 5.446 118 HZ1 LYS 13 HZ1 LYS 13 -0.853 3.099 2.994 119 HZ2 LYS 13 HZ2 LYS 13 -1.484 4.641 3.283 120 HZ3 LYS 13 HZ3 LYS 13 -2.524 3.317 3.120 121 H VAL 14 H VAL 14 4.166 3.243 0.990 122 HA VAL 14 HA VAL 14 5.451 5.825 1.148 123 HB VAL 14 HB VAL 14 5.650 4.547 -1.459 124 HG11 VAL 14 HG11 VAL 14 7.144 6.280 -0.709 125 HG12 VAL 14 HG12 VAL 14 8.039 4.796 -1.022 126 HG13 VAL 14 HG13 VAL 14 7.679 5.271 0.640 127 HG21 VAL 14 HG21 VAL 14 6.510 2.939 0.936 128 HG22 VAL 14 HG22 VAL 14 7.063 2.663 -0.717 129 HG23 VAL 14 HG23 VAL 14 5.360 2.466 -0.316 130 H GLY 15 H GLY 15 2.532 4.668 -0.000 131 HA2 GLY 15 HA2 GLY 15 2.157 7.111 -1.596 132 HA3 GLY 15 HA3 GLY 15 1.629 5.553 -2.219 133 H SER 16 H SER 16 0.930 8.179 -0.183 134 HA SER 16 HA SER 16 -1.002 8.888 0.764 135 HB2 SER 16 HB2 SER 16 -2.256 7.875 -1.069 136 HB3 SER 16 HB3 SER 16 -2.176 6.300 -0.283 137 HG SER 16 HG SER 16 -3.303 8.464 1.110 138 H LEU 17 H LEU 17 -0.591 8.989 2.859 139 HA LEU 17 HA LEU 17 -0.955 6.538 4.442 140 HB2 LEU 17 HB2 LEU 17 0.433 7.524 6.183 141 HB3 LEU 17 HB3 LEU 17 1.317 7.411 4.676 142 HG LEU 17 HG LEU 17 -0.028 9.990 5.382 143 HD11 LEU 17 HD11 LEU 17 1.975 10.707 6.570 144 HD12 LEU 17 HD12 LEU 17 2.652 9.085 6.422 145 HD13 LEU 17 HD13 LEU 17 1.202 9.351 7.391 146 HD21 LEU 17 HD21 LEU 17 2.525 9.306 3.928 147 HD22 LEU 17 HD22 LEU 17 1.833 10.917 4.113 148 HD23 LEU 17 HD23 LEU 17 0.984 9.695 3.167 149 H GLU 18 H GLU 18 -1.958 9.663 3.716 150 HA GLU 18 HA GLU 18 -3.766 9.797 5.994 151 HB2 GLU 18 HB2 GLU 18 -3.306 11.782 3.760 152 HB3 GLU 18 HB3 GLU 18 -4.319 12.045 5.169 153 HG2 GLU 18 HG2 GLU 18 -2.338 11.851 6.607 154 HG3 GLU 18 HG3 GLU 18 -1.336 11.652 5.170 155 H SER 19 H SER 19 -6.070 10.281 5.526 156 HA SER 19 HA SER 19 -8.069 9.949 4.497 157 HB2 SER 19 HB2 SER 19 -6.370 9.652 2.023 158 HB3 SER 19 HB3 SER 19 -8.126 9.630 2.031 159 HG SER 19 HG SER 19 -6.710 11.763 3.210 160 H SER 20 H SER 20 -5.970 7.733 5.167 161 HA SER 20 HA SER 20 -6.695 5.442 3.688 162 HB2 SER 20 HB2 SER 20 -5.529 4.232 5.594 163 HB3 SER 20 HB3 SER 20 -4.572 5.456 4.760 164 HG SER 20 HG SER 20 -4.587 5.465 7.164 165 H MET 21 H MET 21 -7.790 6.710 6.818 166 HA MET 21 HA MET 21 -9.911 4.661 6.763 167 HB2 MET 21 HB2 MET 21 -9.947 4.630 9.178 168 HB3 MET 21 HB3 MET 21 -8.318 4.292 8.616 169 HG2 MET 21 HG2 MET 21 -7.621 6.529 9.148 170 HG3 MET 21 HG3 MET 21 -9.266 6.969 9.600 171 HE1 MET 21 HE1 MET 21 -9.845 4.912 12.856 172 HE2 MET 21 HE2 MET 21 -10.277 4.419 11.221 173 HE3 MET 21 HE3 MET 21 -10.512 6.091 11.727 174 H VAL 22 H VAL 22 -9.309 7.728 6.184 175 HA VAL 22 HA VAL 22 -11.365 9.115 7.535 176 HB VAL 22 HB VAL 22 -10.052 9.741 4.884 177 HG11 VAL 22 HG11 VAL 22 -12.157 10.927 5.099 178 HG12 VAL 22 HG12 VAL 22 -10.799 12.039 5.254 179 HG13 VAL 22 HG13 VAL 22 -11.680 11.518 6.689 180 HG21 VAL 22 HG21 VAL 22 -8.679 11.300 6.190 181 HG22 VAL 22 HG22 VAL 22 -8.459 9.631 6.710 182 HG23 VAL 22 HG23 VAL 22 -9.451 10.727 7.670 183 H SER 23 H SER 23 -11.292 6.993 4.870 184 HA SER 23 HA SER 23 -13.731 7.621 3.626 185 HB2 SER 23 HB2 SER 23 -13.616 5.151 2.927 186 HB3 SER 23 HB3 SER 23 -12.282 6.192 2.443 187 HG SER 23 HG SER 23 -12.212 4.683 4.834 188 H THR 24 H THR 24 -15.471 7.888 4.864 189 HA THR 24 HA THR 24 -15.977 5.980 7.029 190 HB THR 24 HB THR 24 -15.888 8.408 7.589 191 HG1 THR 24 HG1 THR 24 -18.544 7.572 8.045 192 HG21 THR 24 HG21 THR 24 -18.414 8.539 5.941 193 HG22 THR 24 HG22 THR 24 -16.884 9.332 5.571 194 HG23 THR 24 HG23 THR 24 -17.811 9.821 6.988 195 H ASP 25 H ASP 25 -16.668 5.990 3.954 196 HA ASP 25 HA ASP 25 -19.539 5.454 4.201 197 HB2 ASP 25 HB2 ASP 25 -17.845 5.476 1.686 198 HB3 ASP 25 HB3 ASP 25 -19.601 5.402 1.770 199 H SER 26 H SER 26 -16.689 4.034 2.642 200 HA SER 26 HA SER 26 -15.907 1.918 2.523 201 HB2 SER 26 HB2 SER 26 -15.589 2.114 4.873 202 HB3 SER 26 HB3 SER 26 -17.302 1.868 5.197 203 HG SER 26 HG SER 26 -17.023 -0.286 4.376 204 H LEU 27 H LEU 27 -17.813 2.201 0.839 205 HA LEU 27 HA LEU 27 -19.533 -0.180 1.136 206 HB2 LEU 27 HB2 LEU 27 -20.109 2.341 -0.428 207 HB3 LEU 27 HB3 LEU 27 -21.136 0.923 -0.379 208 HG LEU 27 HG LEU 27 -20.522 2.746 1.947 209 HD11 LEU 27 HD11 LEU 27 -22.880 3.347 1.775 210 HD12 LEU 27 HD12 LEU 27 -23.043 2.320 0.352 211 HD13 LEU 27 HD13 LEU 27 -22.007 3.746 0.298 212 HD21 LEU 27 HD21 LEU 27 -22.197 1.423 3.147 213 HD22 LEU 27 HD22 LEU 27 -20.807 0.442 2.680 214 HD23 LEU 27 HD23 LEU 27 -22.315 0.329 1.772 215 H GLY 28 H GLY 28 -17.260 1.595 -0.757 216 HA2 GLY 28 HA2 GLY 28 -16.007 0.872 -2.562 217 HA3 GLY 28 HA3 GLY 28 -16.940 -0.620 -2.574 218 H PHE 29 H PHE 29 -18.941 2.082 -2.472 219 HA PHE 29 HA PHE 29 -19.044 2.655 -5.244 220 HB2 PHE 29 HB2 PHE 29 -21.025 1.566 -5.889 221 HB3 PHE 29 HB3 PHE 29 -20.085 0.328 -5.075 222 HD1 PHE 29 HD1 PHE 29 -23.171 2.097 -5.222 223 HD2 PHE 29 HD2 PHE 29 -20.692 -0.217 -2.654 224 HE1 PHE 29 HE1 PHE 29 -25.101 1.648 -3.780 225 HE2 PHE 29 HE2 PHE 29 -22.622 -0.668 -1.197 226 HZ PHE 29 HZ PHE 29 -24.831 0.263 -1.758 227 H GLN 30 H GLN 30 -20.593 4.182 -5.776 228 HA GLN 30 HA GLN 30 -22.232 5.307 -3.623 229 HB2 GLN 30 HB2 GLN 30 -21.541 7.552 -4.090 230 HB3 GLN 30 HB3 GLN 30 -20.078 6.607 -3.900 231 HG2 GLN 30 HG2 GLN 30 -20.213 6.394 -6.490 232 HG3 GLN 30 HG3 GLN 30 -21.220 7.834 -6.348 233 HE21 GLN 30 HE21 GLN 30 -18.054 6.489 -5.970 234 HE22 GLN 30 HE22 GLN 30 -17.213 7.996 -5.774 235 H HIS 31 H HIS 31 -21.448 4.903 -6.987 236 HA HIS 31 HA HIS 31 -24.317 4.892 -7.581 237 HB2 HIS 31 HB2 HIS 31 -23.199 7.021 -8.364 238 HB3 HIS 31 HB3 HIS 31 -22.240 6.032 -9.451 239 HD1 HIS 31 HD1 HIS 31 -23.353 7.321 -11.475 240 HD2 HIS 31 HD2 HIS 31 -25.990 5.107 -9.143 241 HE1 HIS 31 HE1 HIS 31 -25.499 7.224 -12.782 242 HE2 HIS 31 HE2 HIS 31 -27.101 5.941 -11.320 243 H LEU 32 H LEU 32 -21.197 3.550 -7.808 244 HA LEU 32 HA LEU 32 -20.897 1.290 -7.663 245 HB2 LEU 32 HB2 LEU 32 -23.642 1.382 -8.221 246 HB3 LEU 32 HB3 LEU 32 -22.932 0.188 -9.274 247 HG LEU 32 HG LEU 32 -22.750 0.224 -6.268 248 HD11 LEU 32 HD11 LEU 32 -24.098 -1.796 -6.434 249 HD12 LEU 32 HD12 LEU 32 -24.177 -1.593 -8.183 250 HD13 LEU 32 HD13 LEU 32 -24.927 -0.401 -7.122 251 HD21 LEU 32 HD21 LEU 32 -21.650 -1.940 -6.484 252 HD22 LEU 32 HD22 LEU 32 -20.704 -0.679 -7.271 253 HD23 LEU 32 HD23 LEU 32 -21.672 -1.788 -8.239 254 H THR 33 H THR 33 -19.482 0.240 -8.680 255 HA THR 33 HA THR 33 -18.150 -0.627 -10.240 256 HB THR 33 HB THR 33 -19.624 -2.377 -10.293 257 HG1 THR 33 HG1 THR 33 -19.924 -2.722 -12.747 258 HG21 THR 33 HG21 THR 33 -21.772 -1.505 -10.227 259 HG22 THR 33 HG22 THR 33 -21.729 -2.330 -11.783 260 HG23 THR 33 HG23 THR 33 -21.564 -0.578 -11.704 261 H ASN 34 H ASN 34 -20.169 -0.257 -13.046 262 HA ASN 34 HA ASN 34 -18.158 0.880 -14.555 263 HB2 ASN 34 HB2 ASN 34 -20.018 1.561 -16.146 264 HB3 ASN 34 HB3 ASN 34 -19.950 -0.143 -15.714 265 HD21 ASN 34 HD21 ASN 34 -21.741 2.820 -15.424 266 HD22 ASN 34 HD22 ASN 34 -23.164 2.119 -14.734 267 H GLU 35 H GLU 35 -20.563 2.455 -12.581 268 HA GLU 35 HA GLU 35 -19.943 5.107 -13.481 269 HB2 GLU 35 HB2 GLU 35 -21.362 4.135 -11.007 270 HB3 GLU 35 HB3 GLU 35 -21.305 5.803 -11.558 271 HG2 GLU 35 HG2 GLU 35 -22.492 3.513 -13.093 272 HG3 GLU 35 HG3 GLU 35 -23.382 4.683 -12.132 273 H GLU 36 H GLU 36 -19.360 3.260 -10.529 274 HA GLU 36 HA GLU 36 -17.709 4.964 -9.129 275 HB2 GLU 36 HB2 GLU 36 -17.673 1.966 -9.391 276 HB3 GLU 36 HB3 GLU 36 -16.597 2.795 -8.293 277 HG2 GLU 36 HG2 GLU 36 -19.541 2.504 -8.196 278 HG3 GLU 36 HG3 GLU 36 -18.339 2.212 -6.941 279 H ARG 37 H ARG 37 -16.703 2.546 -11.496 280 HA ARG 37 HA ARG 37 -13.964 2.822 -11.298 281 HB2 ARG 37 HB2 ARG 37 -15.254 0.990 -12.377 282 HB3 ARG 37 HB3 ARG 37 -15.613 2.071 -13.713 283 HG2 ARG 37 HG2 ARG 37 -13.245 2.230 -14.217 284 HG3 ARG 37 HG3 ARG 37 -12.887 1.135 -12.881 285 HD2 ARG 37 HD2 ARG 37 -14.494 0.523 -15.356 286 HD3 ARG 37 HD3 ARG 37 -12.915 -0.133 -14.928 287 HE ARG 37 HE ARG 37 -14.093 -1.176 -12.977 288 HH11 ARG 37 HH11 ARG 37 -15.857 -0.386 -15.903 289 HH12 ARG 37 HH12 ARG 37 -17.055 -1.612 -15.657 290 HH21 ARG 37 HH21 ARG 37 -15.679 -2.762 -12.641 291 HH22 ARG 37 HH22 ARG 37 -16.965 -2.956 -13.787 292 H ASN 38 H ASN 38 -16.280 4.476 -13.368 293 HA ASN 38 HA ASN 38 -14.249 5.873 -14.839 294 HB2 ASN 38 HB2 ASN 38 -16.411 5.261 -15.854 295 HB3 ASN 38 HB3 ASN 38 -17.236 6.331 -14.730 296 HD21 ASN 38 HD21 ASN 38 -15.211 6.123 -17.530 297 HD22 ASN 38 HD22 ASN 38 -15.364 7.776 -18.013 298 H ASP 39 H ASP 39 -16.487 6.641 -12.210 299 HA ASP 39 HA ASP 39 -15.983 9.459 -12.424 300 HB2 ASP 39 HB2 ASP 39 -18.185 8.582 -11.767 301 HB3 ASP 39 HB3 ASP 39 -17.477 7.923 -10.296 302 H MET 40 H MET 40 -15.374 7.126 -9.728 303 HA MET 40 HA MET 40 -13.411 9.114 -8.794 304 HB2 MET 40 HB2 MET 40 -15.474 9.236 -7.471 305 HB3 MET 40 HB3 MET 40 -15.293 7.541 -7.040 306 HG2 MET 40 HG2 MET 40 -13.156 8.073 -5.944 307 HG3 MET 40 HG3 MET 40 -13.408 9.775 -6.324 308 HE1 MET 40 HE1 MET 40 -13.959 9.567 -2.442 309 HE2 MET 40 HE2 MET 40 -13.040 10.330 -3.740 310 HE3 MET 40 HE3 MET 40 -12.829 8.612 -3.401 311 H ILE 41 H ILE 41 -14.283 5.643 -8.643 312 HA ILE 41 HA ILE 41 -11.488 5.127 -7.885 313 HB ILE 41 HB ILE 41 -13.749 3.628 -6.566 314 HG12 ILE 41 HG12 ILE 41 -12.216 5.979 -5.424 315 HG13 ILE 41 HG13 ILE 41 -13.893 6.034 -5.953 316 HG21 ILE 41 HG21 ILE 41 -11.551 2.547 -6.626 317 HG22 ILE 41 HG22 ILE 41 -12.005 2.985 -4.980 318 HG23 ILE 41 HG23 ILE 41 -10.832 3.964 -5.862 319 HD11 ILE 41 HD11 ILE 41 -13.730 5.850 -3.541 320 HD12 ILE 41 HD12 ILE 41 -12.805 4.358 -3.704 321 HD13 ILE 41 HD13 ILE 41 -14.487 4.414 -4.231 322 H SER 42 H SER 42 -10.580 3.438 -8.873 323 HA SER 42 HA SER 42 -11.930 2.242 -11.078 324 HB2 SER 42 HB2 SER 42 -9.659 0.955 -11.138 325 HB3 SER 42 HB3 SER 42 -9.681 2.686 -11.456 326 HG SER 42 HG SER 42 -8.086 1.835 -9.863 327 H TYR 43 H TYR 43 -12.379 1.508 -7.989 328 HA TYR 43 HA TYR 43 -13.110 -1.200 -8.387 329 HB2 TYR 43 HB2 TYR 43 -10.488 -1.090 -8.183 330 HB3 TYR 43 HB3 TYR 43 -10.817 -0.905 -6.469 331 HD1 TYR 43 HD1 TYR 43 -11.012 -2.832 -5.157 332 HD2 TYR 43 HD2 TYR 43 -11.653 -3.111 -9.353 333 HE1 TYR 43 HE1 TYR 43 -11.182 -5.276 -4.964 334 HE2 TYR 43 HE2 TYR 43 -11.828 -5.554 -9.168 335 HH TYR 43 HH TYR 43 -12.126 -7.159 -6.169 336 H LYS 44 H LYS 44 -12.527 -1.808 -5.503 337 HA LYS 44 HA LYS 44 -14.879 -0.656 -4.370 338 HB2 LYS 44 HB2 LYS 44 -12.695 -2.356 -3.154 339 HB3 LYS 44 HB3 LYS 44 -14.168 -1.904 -2.317 340 HG2 LYS 44 HG2 LYS 44 -13.940 -3.610 -4.780 341 HG3 LYS 44 HG3 LYS 44 -14.420 -4.122 -3.162 342 HD2 LYS 44 HD2 LYS 44 -16.397 -2.646 -3.318 343 HD3 LYS 44 HD3 LYS 44 -15.930 -2.230 -4.966 344 HE2 LYS 44 HE2 LYS 44 -16.021 -4.710 -5.464 345 HE3 LYS 44 HE3 LYS 44 -16.801 -4.901 -3.898 346 HZ1 LYS 44 HZ1 LYS 44 -18.494 -4.743 -5.518 347 HZ2 LYS 44 HZ2 LYS 44 -17.799 -3.381 -6.238 348 HZ3 LYS 44 HZ3 LYS 44 -18.489 -3.264 -4.699 349 H GLU 45 H GLU 45 -14.351 -0.061 -1.784 350 HA GLU 45 HA GLU 45 -14.151 2.642 -1.924 351 HB2 GLU 45 HB2 GLU 45 -14.962 1.167 -0.028 352 HB3 GLU 45 HB3 GLU 45 -13.299 1.094 0.512 353 HG2 GLU 45 HG2 GLU 45 -14.362 2.762 1.774 354 HG3 GLU 45 HG3 GLU 45 -13.354 3.576 0.592 355 H ASN 46 H ASN 46 -11.494 0.525 -0.791 356 HA ASN 46 HA ASN 46 -9.710 2.837 -0.843 357 HB2 ASN 46 HB2 ASN 46 -9.596 0.141 0.427 358 HB3 ASN 46 HB3 ASN 46 -8.082 0.965 0.074 359 HD21 ASN 46 HD21 ASN 46 -10.979 2.738 0.854 360 HD22 ASN 46 HD22 ASN 46 -10.464 3.269 2.417 361 H GLY 47 H GLY 47 -10.750 0.906 -3.127 362 HA2 GLY 47 HA2 GLY 47 -9.964 0.725 -5.289 363 HA3 GLY 47 HA3 GLY 47 -8.425 1.400 -4.751 364 H ASP 48 H ASP 48 -8.660 -0.904 -2.613 365 HA ASP 48 HA ASP 48 -7.607 -2.875 -2.272 366 HB2 ASP 48 HB2 ASP 48 -9.452 -3.696 -3.703 367 HB3 ASP 48 HB3 ASP 48 -8.438 -3.453 -5.114 368 H VAL 49 H VAL 49 -6.391 -0.540 -3.899 369 HA VAL 49 HA VAL 49 -4.284 -1.737 -5.394 370 HB VAL 49 HB VAL 49 -3.443 0.676 -5.448 371 HG11 VAL 49 HG11 VAL 49 -5.231 1.348 -7.026 372 HG12 VAL 49 HG12 VAL 49 -6.199 -0.014 -6.462 373 HG13 VAL 49 HG13 VAL 49 -4.668 -0.302 -7.286 374 HG21 VAL 49 HG21 VAL 49 -4.870 2.425 -4.697 375 HG22 VAL 49 HG22 VAL 49 -4.776 1.298 -3.348 376 HG23 VAL 49 HG23 VAL 49 -6.198 1.317 -4.390 377 H HIS 50 H HIS 50 -3.071 -2.994 -4.095 378 HA HIS 50 HA HIS 50 -1.567 -1.679 -1.934 379 HB2 HIS 50 HB2 HIS 50 -3.278 -3.286 -1.065 380 HB3 HIS 50 HB3 HIS 50 -2.504 -4.562 -1.992 381 HD1 HIS 50 HD1 HIS 50 -2.598 -3.224 1.306 382 HD2 HIS 50 HD2 HIS 50 0.386 -4.828 -1.106 383 HE1 HIS 50 HE1 HIS 50 -0.759 -3.916 2.871 384 HE2 HIS 50 HE2 HIS 50 0.993 -4.967 1.405 385 H VAL 51 H VAL 51 0.236 -1.286 -3.182 386 HA VAL 51 HA VAL 51 1.473 -3.619 -4.488 387 HB VAL 51 HB VAL 51 2.787 -1.891 -5.790 388 HG11 VAL 51 HG11 VAL 51 0.905 -1.347 -7.316 389 HG12 VAL 51 HG12 VAL 51 -0.207 -1.995 -6.107 390 HG13 VAL 51 HG13 VAL 51 0.984 -3.053 -6.869 391 HG21 VAL 51 HG21 VAL 51 1.821 0.343 -5.947 392 HG22 VAL 51 HG22 VAL 51 2.448 -0.005 -4.335 393 HG23 VAL 51 HG23 VAL 51 0.710 -0.056 -4.636 394 H LEU 52 H LEU 52 3.422 -4.289 -3.854 395 HA LEU 52 HA LEU 52 4.739 -2.938 -1.654 396 HB2 LEU 52 HB2 LEU 52 5.499 -5.455 -3.150 397 HB3 LEU 52 HB3 LEU 52 6.283 -4.857 -1.697 398 HG LEU 52 HG LEU 52 3.432 -5.839 -1.898 399 HD11 LEU 52 HD11 LEU 52 5.036 -7.645 -2.023 400 HD12 LEU 52 HD12 LEU 52 4.239 -7.654 -0.449 401 HD13 LEU 52 HD13 LEU 52 5.880 -7.026 -0.604 402 HD21 LEU 52 HD21 LEU 52 4.989 -4.881 0.500 403 HD22 LEU 52 HD22 LEU 52 3.373 -5.587 0.527 404 HD23 LEU 52 HD23 LEU 52 3.643 -4.036 -0.266 405 H THR 53 H THR 53 6.295 -1.492 -1.927 406 HA THR 53 HA THR 53 7.922 -1.549 -4.353 407 HB THR 53 HB THR 53 5.945 -0.103 -4.818 408 HG1 THR 53 HG1 THR 53 7.452 0.720 -6.057 409 HG21 THR 53 HG21 THR 53 5.727 2.039 -3.703 410 HG22 THR 53 HG22 THR 53 7.099 1.660 -2.662 411 HG23 THR 53 HG23 THR 53 5.608 0.728 -2.530 412 H ILE 54 H ILE 54 9.294 0.770 -4.061 413 HA ILE 54 HA ILE 54 10.813 0.181 -1.621 414 HB ILE 54 HB ILE 54 11.539 1.126 -4.354 415 HG12 ILE 54 HG12 ILE 54 13.523 -0.467 -3.094 416 HG13 ILE 54 HG13 ILE 54 11.955 -1.174 -2.729 417 HG21 ILE 54 HG21 ILE 54 13.704 1.902 -3.672 418 HG22 ILE 54 HG22 ILE 54 13.312 1.602 -1.983 419 HG23 ILE 54 HG23 ILE 54 12.454 2.857 -2.875 420 HD11 ILE 54 HD11 ILE 54 11.433 -1.316 -5.081 421 HD12 ILE 54 HD12 ILE 54 12.985 -2.092 -4.759 422 HD13 ILE 54 HD13 ILE 54 12.936 -0.491 -5.488 423 H CYS 55 H CYS 55 10.898 1.600 -0.018 424 HA CYS 55 HA CYS 55 9.772 4.239 -0.276 425 HB2 CYS 55 HB2 CYS 55 10.081 4.439 2.102 426 HB3 CYS 55 HB3 CYS 55 9.461 2.827 1.776 427 H GLU 56 H GLU 56 11.130 6.044 0.942 428 HA GLU 56 HA GLU 56 13.335 6.667 -0.659 429 HB2 GLU 56 HB2 GLU 56 12.646 7.702 2.096 430 HB3 GLU 56 HB3 GLU 56 13.737 8.472 0.954 431 HG2 GLU 56 HG2 GLU 56 11.989 8.990 -0.531 432 HG3 GLU 56 HG3 GLU 56 10.865 7.922 0.303 433 H ASP 57 H ASP 57 13.145 5.271 2.574 434 HA ASP 57 HA ASP 57 15.865 5.146 3.188 435 HB2 ASP 57 HB2 ASP 57 14.060 4.728 4.816 436 HB3 ASP 57 HB3 ASP 57 13.662 3.227 3.988 437 H CYS 58 H CYS 58 13.791 2.869 1.442 438 HA CYS 58 HA CYS 58 15.872 0.937 1.071 439 HB2 CYS 58 HB2 CYS 58 13.123 1.242 -0.122 440 HB3 CYS 58 HB3 CYS 58 14.232 -0.027 -0.633 441 H GLN 59 H GLN 59 14.489 3.530 -0.832 442 HA GLN 59 HA GLN 59 15.739 3.123 -3.264 443 HB2 GLN 59 HB2 GLN 59 13.987 4.789 -2.854 444 HB3 GLN 59 HB3 GLN 59 15.128 5.777 -1.954 445 HG2 GLN 59 HG2 GLN 59 15.707 5.032 -4.790 446 HG3 GLN 59 HG3 GLN 59 14.583 6.335 -4.433 447 HE21 GLN 59 HE21 GLN 59 17.155 6.435 -5.769 448 HE22 GLN 59 HE22 GLN 59 18.125 7.538 -4.860 449 H GLU 60 H GLU 60 17.092 4.376 -0.289 450 HA GLU 60 HA GLU 60 19.454 5.328 -1.464 451 HB2 GLU 60 HB2 GLU 60 18.548 4.579 1.289 452 HB3 GLU 60 HB3 GLU 60 20.216 4.933 0.989 453 HG2 GLU 60 HG2 GLU 60 18.176 6.850 0.118 454 HG3 GLU 60 HG3 GLU 60 18.606 6.785 1.819 455 H ALA 61 H ALA 61 18.723 2.302 0.277 456 HA ALA 61 HA ALA 61 21.129 0.958 -0.148 457 HB1 ALA 61 HB1 ALA 61 18.335 -0.201 -0.240 458 HB2 ALA 61 HB2 ALA 61 19.276 0.077 1.227 459 HB3 ALA 61 HB3 ALA 61 19.828 -1.103 0.038 460 H LEU 62 H LEU 62 18.430 1.609 -2.155 461 HA LEU 62 HA LEU 62 18.927 0.010 -4.401 462 HB2 LEU 62 HB2 LEU 62 17.521 2.539 -3.774 463 HB3 LEU 62 HB3 LEU 62 17.654 2.070 -5.432 464 HG LEU 62 HG LEU 62 15.813 1.212 -3.412 465 HD11 LEU 62 HD11 LEU 62 14.616 0.286 -5.308 466 HD12 LEU 62 HD12 LEU 62 16.041 0.519 -6.321 467 HD13 LEU 62 HD13 LEU 62 15.200 1.916 -5.646 468 HD21 LEU 62 HD21 LEU 62 17.401 -0.660 -3.100 469 HD22 LEU 62 HD22 LEU 62 17.186 -1.074 -4.803 470 HD23 LEU 62 HD23 LEU 62 15.818 -1.158 -3.693 471 H ASP 63 H ASP 63 19.513 3.473 -3.980 472 HA ASP 63 HA ASP 63 20.895 3.693 -6.465 473 HB2 ASP 63 HB2 ASP 63 19.543 5.527 -5.724 474 HB3 ASP 63 HB3 ASP 63 20.441 5.659 -4.217 475 H ARG 64 H ARG 64 21.936 3.814 -3.077 476 HA ARG 64 HA ARG 64 24.599 4.608 -3.823 477 HB2 ARG 64 HB2 ARG 64 23.384 3.888 -1.157 478 HB3 ARG 64 HB3 ARG 64 25.032 4.465 -1.370 479 HG2 ARG 64 HG2 ARG 64 24.283 6.577 -2.151 480 HG3 ARG 64 HG3 ARG 64 22.617 6.008 -2.274 481 HD2 ARG 64 HD2 ARG 64 22.952 7.408 -0.299 482 HD3 ARG 64 HD3 ARG 64 22.500 5.762 0.136 483 HE ARG 64 HE ARG 64 25.297 5.963 0.126 484 HH11 ARG 64 HH11 ARG 64 22.536 7.148 1.913 485 HH12 ARG 64 HH12 ARG 64 23.391 7.227 3.425 486 HH21 ARG 64 HH21 ARG 64 26.437 6.090 2.106 487 HH22 ARG 64 HH22 ARG 64 25.613 6.628 3.533 488 H ASN 65 H ASN 65 23.608 1.896 -1.719 489 HA ASN 65 HA ASN 65 25.315 0.088 -3.204 490 HB2 ASN 65 HB2 ASN 65 26.924 1.194 -1.725 491 HB3 ASN 65 HB3 ASN 65 25.931 0.801 -0.327 492 HD21 ASN 65 HD21 ASN 65 25.964 -1.264 0.500 493 HD22 ASN 65 HD22 ASN 65 27.103 -2.462 -0.016 494 HA PRO 66 HA PRO 66 21.870 -2.545 -2.387 495 HB2 PRO 66 HB2 PRO 66 24.039 -4.602 -2.332 496 HB3 PRO 66 HB3 PRO 66 22.491 -4.626 -3.184 497 HG2 PRO 66 HG2 PRO 66 24.763 -4.065 -4.470 498 HG3 PRO 66 HG3 PRO 66 23.245 -3.246 -4.875 499 HD2 PRO 66 HD2 PRO 66 25.632 -2.209 -3.465 500 HD3 PRO 66 HD3 PRO 66 24.409 -1.341 -4.411 501 H HIS 67 H HIS 67 24.788 -3.676 -0.674 502 HA HIS 67 HA HIS 67 23.275 -4.499 1.617 503 HB2 HIS 67 HB2 HIS 67 26.221 -4.335 1.019 504 HB3 HIS 67 HB3 HIS 67 25.634 -4.747 2.626 505 HD1 HIS 67 HD1 HIS 67 25.000 -7.128 3.029 506 HD2 HIS 67 HD2 HIS 67 25.417 -6.257 -1.016 507 HE1 HIS 67 HE1 HIS 67 24.860 -9.339 1.836 508 HE2 HIS 67 HE2 HIS 67 24.909 -8.757 -0.612 509 H TYR 68 H TYR 68 22.223 -2.768 2.453 510 HA TYR 68 HA TYR 68 23.906 -0.619 3.550 511 HB2 TYR 68 HB2 TYR 68 22.370 0.014 1.607 512 HB3 TYR 68 HB3 TYR 68 21.024 -0.293 2.699 513 HD1 TYR 68 HD1 TYR 68 20.266 1.393 4.118 514 HD2 TYR 68 HD2 TYR 68 24.112 1.753 2.348 515 HE1 TYR 68 HE1 TYR 68 20.449 3.679 4.999 516 HE2 TYR 68 HE2 TYR 68 24.307 4.044 3.222 517 HH TYR 68 HH TYR 68 22.113 5.310 5.550 518 H HIS 69 H HIS 69 22.872 0.437 5.471 519 HA HIS 69 HA HIS 69 22.320 0.273 7.646 520 HB2 HIS 69 HB2 HIS 69 20.024 -0.391 8.165 521 HB3 HIS 69 HB3 HIS 69 20.084 0.618 6.732 522 HD1 HIS 69 HD1 HIS 69 18.774 -0.214 4.798 523 HD2 HIS 69 HD2 HIS 69 19.702 -3.260 7.466 524 HE1 HIS 69 HE1 HIS 69 17.650 -2.271 3.893 525 HE2 HIS 69 HE2 HIS 69 18.425 -4.132 5.398 526 H GLU 70 H GLU 70 24.008 -1.846 6.692 527 HA GLU 70 HA GLU 70 23.469 -3.756 8.848 528 HB2 GLU 70 HB2 GLU 70 24.156 -5.630 7.376 529 HB3 GLU 70 HB3 GLU 70 22.654 -4.867 6.874 530 HG2 GLU 70 HG2 GLU 70 23.818 -3.662 5.125 531 HG3 GLU 70 HG3 GLU 70 25.355 -4.344 5.654 532 H TYR 71 H TYR 71 25.580 -1.705 7.287 533 HA TYR 71 HA TYR 71 27.804 -2.691 8.890 534 HB2 TYR 71 HB2 TYR 71 27.745 -3.432 6.298 535 HB3 TYR 71 HB3 TYR 71 28.496 -1.850 6.126 536 HD1 TYR 71 HD1 TYR 71 28.999 -5.282 6.957 537 HD2 TYR 71 HD2 TYR 71 30.614 -1.386 7.497 538 HE1 TYR 71 HE1 TYR 71 31.164 -6.273 7.557 539 HE2 TYR 71 HE2 TYR 71 32.787 -2.368 8.100 540 HH TYR 71 HH TYR 71 33.687 -4.464 8.959 541 H HIS 72 H HIS 72 29.117 -1.064 9.612 542 HA HIS 72 HA HIS 72 27.964 1.561 9.538 543 HB2 HIS 72 HB2 HIS 72 30.452 0.504 10.882 544 HB3 HIS 72 HB3 HIS 72 29.854 2.147 11.068 545 HD1 HIS 72 HD1 HIS 72 29.633 -1.134 12.546 546 HD2 HIS 72 HD2 HIS 72 27.123 2.166 12.236 547 HE1 HIS 72 HE1 HIS 72 27.887 -1.443 14.330 548 HE2 HIS 72 HE2 HIS 72 26.309 0.500 14.038 549 H THR 73 H THR 73 30.921 0.077 8.317 550 HA THR 73 HA THR 73 31.490 2.560 6.859 551 HB THR 73 HB THR 73 33.762 1.495 6.475 552 HG1 THR 73 HG1 THR 73 33.007 -0.655 7.055 553 HG21 THR 73 HG21 THR 73 32.929 2.050 9.326 554 HG22 THR 73 HG22 THR 73 33.428 3.254 8.138 555 HG23 THR 73 HG23 THR 73 34.586 2.060 8.722 Start of MODEL 7 1 H1 GLN -1 H1 GLN -1 -4.905 15.382 -7.555 2 H2 GLN -1 H2 GLN -1 -5.941 15.017 -6.273 3 H3 GLN -1 H3 GLN -1 -6.071 14.172 -7.731 4 HA GLN -1 HA GLN -1 -3.741 14.093 -5.904 5 HB2 GLN -1 HB2 GLN -1 -5.732 11.908 -6.534 6 HB3 GLN -1 HB3 GLN -1 -4.429 11.845 -5.358 7 HG2 GLN -1 HG2 GLN -1 -5.555 13.563 -4.029 8 HG3 GLN -1 HG3 GLN -1 -6.869 13.597 -5.204 9 HE21 GLN -1 HE21 GLN -1 -5.375 11.849 -2.618 10 HE22 GLN -1 HE22 GLN -1 -6.640 10.678 -2.419 11 H SER 0 H SER 0 -1.911 13.492 -6.906 12 HA SER 0 HA SER 0 -1.987 12.709 -9.670 13 HB2 SER 0 HB2 SER 0 0.349 12.897 -7.756 14 HB3 SER 0 HB3 SER 0 0.471 12.680 -9.503 15 HG SER 0 HG SER 0 -1.095 14.751 -9.134 16 H MET 1 H MET 1 -1.340 11.130 -6.587 17 HA MET 1 HA MET 1 -0.870 8.585 -7.895 18 HB2 MET 1 HB2 MET 1 -0.663 7.668 -5.632 19 HB3 MET 1 HB3 MET 1 0.370 9.066 -5.857 20 HG2 MET 1 HG2 MET 1 -1.332 10.448 -4.701 21 HG3 MET 1 HG3 MET 1 -2.255 8.981 -4.394 22 HE1 MET 1 HE1 MET 1 -2.278 9.561 -1.817 23 HE2 MET 1 HE2 MET 1 -1.326 11.017 -2.105 24 HE3 MET 1 HE3 MET 1 -0.829 9.868 -0.862 25 H ALA 2 H ALA 2 -2.163 6.743 -7.535 26 HA ALA 2 HA ALA 2 -4.948 7.291 -6.745 27 HB1 ALA 2 HB1 ALA 2 -4.132 5.692 -9.165 28 HB2 ALA 2 HB2 ALA 2 -4.774 7.332 -9.195 29 HB3 ALA 2 HB3 ALA 2 -5.781 6.003 -8.622 30 H LEU 3 H LEU 3 -2.229 5.309 -6.441 31 HA LEU 3 HA LEU 3 -3.845 3.070 -5.404 32 HB2 LEU 3 HB2 LEU 3 -1.064 2.911 -6.603 33 HB3 LEU 3 HB3 LEU 3 -2.000 1.566 -5.987 34 HG LEU 3 HG LEU 3 -3.707 2.182 -7.832 35 HD11 LEU 3 HD11 LEU 3 -2.698 4.346 -8.367 36 HD12 LEU 3 HD12 LEU 3 -2.775 3.278 -9.771 37 HD13 LEU 3 HD13 LEU 3 -1.245 3.519 -8.925 38 HD21 LEU 3 HD21 LEU 3 -2.295 0.164 -7.799 39 HD22 LEU 3 HD22 LEU 3 -1.013 1.072 -8.605 40 HD23 LEU 3 HD23 LEU 3 -2.548 0.788 -9.428 41 H HIS 4 H HIS 4 -2.908 1.911 -3.665 42 HA HIS 4 HA HIS 4 -1.428 3.676 -1.863 43 HB2 HIS 4 HB2 HIS 4 -3.110 1.262 -1.456 44 HB3 HIS 4 HB3 HIS 4 -1.908 1.655 -0.255 45 HD1 HIS 4 HD1 HIS 4 -2.524 3.368 1.452 46 HD2 HIS 4 HD2 HIS 4 -5.151 3.324 -1.769 47 HE1 HIS 4 HE1 HIS 4 -4.394 4.913 2.091 48 HE2 HIS 4 HE2 HIS 4 -6.084 4.657 0.248 49 H TYR 5 H TYR 5 0.583 3.399 -1.438 50 HA TYR 5 HA TYR 5 2.014 1.081 -2.511 51 HB2 TYR 5 HB2 TYR 5 2.994 3.760 -1.490 52 HB3 TYR 5 HB3 TYR 5 4.069 2.440 -1.944 53 HD1 TYR 5 HD1 TYR 5 4.918 4.513 -3.300 54 HD2 TYR 5 HD2 TYR 5 1.334 2.414 -4.150 55 HE1 TYR 5 HE1 TYR 5 4.997 5.335 -5.606 56 HE2 TYR 5 HE2 TYR 5 1.397 3.212 -6.466 57 HH TYR 5 HH TYR 5 2.441 5.296 -7.665 58 H TYR 6 H TYR 6 2.761 -0.468 -1.196 59 HA TYR 6 HA TYR 6 3.362 0.251 1.595 60 HB2 TYR 6 HB2 TYR 6 2.075 -2.307 0.611 61 HB3 TYR 6 HB3 TYR 6 2.715 -2.085 2.239 62 HD1 TYR 6 HD1 TYR 6 0.030 -1.221 -0.079 63 HD2 TYR 6 HD2 TYR 6 1.596 -0.625 3.829 64 HE1 TYR 6 HE1 TYR 6 -2.106 -0.240 0.619 65 HE2 TYR 6 HE2 TYR 6 -0.547 0.358 4.540 66 HH TYR 6 HH TYR 6 -2.495 1.456 3.529 67 H CYS 7 H CYS 7 5.364 -0.448 2.305 68 HA CYS 7 HA CYS 7 7.051 -1.054 0.054 69 HB2 CYS 7 HB2 CYS 7 7.615 0.765 1.722 70 HB3 CYS 7 HB3 CYS 7 8.040 -0.523 2.836 71 H ARG 8 H ARG 8 8.419 -2.624 -0.260 72 HA ARG 8 HA ARG 8 8.123 -5.092 1.116 73 HB2 ARG 8 HB2 ARG 8 9.912 -5.903 -0.274 74 HB3 ARG 8 HB3 ARG 8 8.877 -4.891 -1.273 75 HG2 ARG 8 HG2 ARG 8 10.443 -3.135 -1.295 76 HG3 ARG 8 HG3 ARG 8 11.379 -3.851 0.021 77 HD2 ARG 8 HD2 ARG 8 11.649 -5.840 -1.647 78 HD3 ARG 8 HD3 ARG 8 11.249 -4.623 -2.861 79 HE ARG 8 HE ARG 8 13.245 -3.595 -1.178 80 HH11 ARG 8 HH11 ARG 8 12.815 -6.006 -3.670 81 HH12 ARG 8 HH12 ARG 8 14.488 -6.012 -4.128 82 HH21 ARG 8 HH21 ARG 8 15.444 -3.618 -1.757 83 HH22 ARG 8 HH22 ARG 8 15.984 -4.653 -3.042 84 H HIS 9 H HIS 9 8.904 -5.472 3.043 85 HA HIS 9 HA HIS 9 10.512 -5.987 4.581 86 HB2 HIS 9 HB2 HIS 9 12.180 -5.874 2.687 87 HB3 HIS 9 HB3 HIS 9 12.469 -4.198 3.141 88 HD1 HIS 9 HD1 HIS 9 13.219 -7.693 4.131 89 HD2 HIS 9 HD2 HIS 9 13.820 -3.862 5.633 90 HE1 HIS 9 HE1 HIS 9 14.912 -7.946 5.973 91 HE2 HIS 9 HE2 HIS 9 15.358 -5.602 6.778 92 H CYS 10 H CYS 10 10.542 -2.514 3.621 93 HA CYS 10 HA CYS 10 11.017 -1.644 6.299 94 HB2 CYS 10 HB2 CYS 10 9.539 -0.061 4.194 95 HB3 CYS 10 HB3 CYS 10 10.364 0.567 5.610 96 H GLY 11 H GLY 11 8.166 -2.325 4.369 97 HA2 GLY 11 HA2 GLY 11 6.041 -2.927 5.047 98 HA3 GLY 11 HA3 GLY 11 6.554 -2.701 6.725 99 H VAL 12 H VAL 12 7.197 -0.072 4.652 100 HA VAL 12 HA VAL 12 5.181 1.444 6.076 101 HB VAL 12 HB VAL 12 7.143 2.573 6.448 102 HG11 VAL 12 HG11 VAL 12 7.898 1.943 3.607 103 HG12 VAL 12 HG12 VAL 12 8.578 1.246 5.081 104 HG13 VAL 12 HG13 VAL 12 8.854 2.945 4.698 105 HG21 VAL 12 HG21 VAL 12 5.495 4.111 5.411 106 HG22 VAL 12 HG22 VAL 12 6.276 3.822 3.853 107 HG23 VAL 12 HG23 VAL 12 7.171 4.601 5.159 108 H LYS 13 H LYS 13 3.598 2.577 5.204 109 HA LYS 13 HA LYS 13 2.898 2.040 2.475 110 HB2 LYS 13 HB2 LYS 13 1.042 3.859 3.259 111 HB3 LYS 13 HB3 LYS 13 0.909 2.130 3.518 112 HG2 LYS 13 HG2 LYS 13 0.330 3.216 5.546 113 HG3 LYS 13 HG3 LYS 13 1.904 2.463 5.785 114 HD2 LYS 13 HD2 LYS 13 2.971 4.655 5.366 115 HD3 LYS 13 HD3 LYS 13 1.368 5.380 5.220 116 HE2 LYS 13 HE2 LYS 13 2.512 4.021 7.660 117 HE3 LYS 13 HE3 LYS 13 2.282 5.755 7.442 118 HZ1 LYS 13 HZ1 LYS 13 0.142 3.701 7.578 119 HZ2 LYS 13 HZ2 LYS 13 -0.117 5.339 7.267 120 HZ3 LYS 13 HZ3 LYS 13 0.506 4.854 8.759 121 H VAL 14 H VAL 14 4.254 3.016 1.109 122 HA VAL 14 HA VAL 14 5.181 5.704 1.497 123 HB VAL 14 HB VAL 14 5.562 4.826 -1.224 124 HG11 VAL 14 HG11 VAL 14 7.853 5.231 -0.741 125 HG12 VAL 14 HG12 VAL 14 7.577 5.085 0.999 126 HG13 VAL 14 HG13 VAL 14 6.904 6.459 0.103 127 HG21 VAL 14 HG21 VAL 14 7.031 2.886 -0.758 128 HG22 VAL 14 HG22 VAL 14 5.331 2.552 -0.460 129 HG23 VAL 14 HG23 VAL 14 6.419 2.854 0.895 130 H GLY 15 H GLY 15 2.363 4.369 0.267 131 HA2 GLY 15 HA2 GLY 15 1.912 6.602 -1.597 132 HA3 GLY 15 HA3 GLY 15 1.013 5.092 -1.584 133 H SER 16 H SER 16 1.821 7.287 1.063 134 HA SER 16 HA SER 16 -0.884 8.279 1.220 135 HB2 SER 16 HB2 SER 16 0.244 6.601 3.480 136 HB3 SER 16 HB3 SER 16 -1.271 7.504 3.530 137 HG SER 16 HG SER 16 -1.267 5.973 1.348 138 H LEU 17 H LEU 17 0.269 10.223 0.830 139 HA LEU 17 HA LEU 17 1.971 11.140 3.034 140 HB2 LEU 17 HB2 LEU 17 2.814 12.824 1.432 141 HB3 LEU 17 HB3 LEU 17 3.111 11.179 0.907 142 HG LEU 17 HG LEU 17 0.819 11.606 -0.403 143 HD11 LEU 17 HD11 LEU 17 0.505 13.867 0.432 144 HD12 LEU 17 HD12 LEU 17 0.773 13.872 -1.311 145 HD13 LEU 17 HD13 LEU 17 2.075 14.339 -0.218 146 HD21 LEU 17 HD21 LEU 17 3.538 12.523 -1.315 147 HD22 LEU 17 HD22 LEU 17 2.169 12.155 -2.363 148 HD23 LEU 17 HD23 LEU 17 2.908 10.878 -1.396 149 H GLU 18 H GLU 18 -1.028 11.428 1.583 150 HA GLU 18 HA GLU 18 -1.533 14.145 2.326 151 HB2 GLU 18 HB2 GLU 18 -3.371 11.968 1.337 152 HB3 GLU 18 HB3 GLU 18 -3.893 13.613 1.669 153 HG2 GLU 18 HG2 GLU 18 -2.271 14.416 -0.023 154 HG3 GLU 18 HG3 GLU 18 -1.899 12.734 -0.404 155 H SER 19 H SER 19 -2.326 14.863 4.204 156 HA SER 19 HA SER 19 -3.657 12.950 5.983 157 HB2 SER 19 HB2 SER 19 -2.489 14.143 7.905 158 HB3 SER 19 HB3 SER 19 -1.472 13.102 6.912 159 HG SER 19 HG SER 19 -0.282 14.794 6.615 160 H SER 20 H SER 20 -5.498 13.667 6.823 161 HA SER 20 HA SER 20 -6.016 16.434 7.317 162 HB2 SER 20 HB2 SER 20 -6.452 16.397 4.899 163 HB3 SER 20 HB3 SER 20 -7.570 15.056 5.112 164 HG SER 20 HG SER 20 -8.910 16.723 5.157 165 H MET 21 H MET 21 -8.216 13.772 6.434 166 HA MET 21 HA MET 21 -9.086 13.726 9.249 167 HB2 MET 21 HB2 MET 21 -10.729 13.078 6.790 168 HB3 MET 21 HB3 MET 21 -11.292 12.988 8.452 169 HG2 MET 21 HG2 MET 21 -10.879 15.418 8.668 170 HG3 MET 21 HG3 MET 21 -10.471 15.459 6.954 171 HE1 MET 21 HE1 MET 21 -12.258 17.278 6.404 172 HE2 MET 21 HE2 MET 21 -12.648 17.366 8.121 173 HE3 MET 21 HE3 MET 21 -13.939 17.200 6.933 174 H VAL 22 H VAL 22 -9.593 11.591 6.469 175 HA VAL 22 HA VAL 22 -9.470 9.344 6.241 176 HB VAL 22 HB VAL 22 -6.934 9.426 7.846 177 HG11 VAL 22 HG11 VAL 22 -7.627 7.279 7.004 178 HG12 VAL 22 HG12 VAL 22 -6.210 7.829 6.108 179 HG13 VAL 22 HG13 VAL 22 -7.815 7.943 5.383 180 HG21 VAL 22 HG21 VAL 22 -6.883 11.417 6.433 181 HG22 VAL 22 HG22 VAL 22 -7.262 10.432 5.020 182 HG23 VAL 22 HG23 VAL 22 -5.730 10.208 5.866 183 H SER 23 H SER 23 -11.310 9.491 7.902 184 HA SER 23 HA SER 23 -10.778 8.714 10.584 185 HB2 SER 23 HB2 SER 23 -13.325 8.366 10.582 186 HB3 SER 23 HB3 SER 23 -12.730 9.994 10.260 187 HG SER 23 HG SER 23 -14.330 9.398 8.759 188 H THR 24 H THR 24 -11.193 7.001 7.639 189 HA THR 24 HA THR 24 -10.705 4.492 8.900 190 HB THR 24 HB THR 24 -13.062 4.576 9.407 191 HG1 THR 24 HG1 THR 24 -13.716 2.844 7.659 192 HG21 THR 24 HG21 THR 24 -14.773 4.797 7.660 193 HG22 THR 24 HG22 THR 24 -13.506 5.101 6.472 194 HG23 THR 24 HG23 THR 24 -13.770 6.243 7.788 195 H ASP 25 H ASP 25 -9.978 2.979 7.475 196 HA ASP 25 HA ASP 25 -9.603 3.813 4.695 197 HB2 ASP 25 HB2 ASP 25 -7.675 2.948 6.010 198 HB3 ASP 25 HB3 ASP 25 -8.513 1.419 6.204 199 H SER 26 H SER 26 -11.595 1.963 6.635 200 HA SER 26 HA SER 26 -12.391 0.131 4.497 201 HB2 SER 26 HB2 SER 26 -11.886 -0.767 6.772 202 HB3 SER 26 HB3 SER 26 -13.227 0.185 7.408 203 HG SER 26 HG SER 26 -13.243 -2.110 5.805 204 H LEU 27 H LEU 27 -13.706 1.330 3.153 205 HA LEU 27 HA LEU 27 -16.329 1.913 4.265 206 HB2 LEU 27 HB2 LEU 27 -14.541 3.945 3.038 207 HB3 LEU 27 HB3 LEU 27 -16.255 4.032 2.673 208 HG LEU 27 HG LEU 27 -15.113 4.048 5.468 209 HD11 LEU 27 HD11 LEU 27 -15.598 6.419 5.486 210 HD12 LEU 27 HD12 LEU 27 -16.157 6.341 3.816 211 HD13 LEU 27 HD13 LEU 27 -14.459 6.045 4.192 212 HD21 LEU 27 HD21 LEU 27 -17.374 4.805 6.078 213 HD22 LEU 27 HD22 LEU 27 -17.386 3.194 5.365 214 HD23 LEU 27 HD23 LEU 27 -17.886 4.586 4.405 215 H GLY 28 H GLY 28 -14.895 2.762 1.124 216 HA2 GLY 28 HA2 GLY 28 -15.431 2.007 -0.994 217 HA3 GLY 28 HA3 GLY 28 -16.299 0.668 -0.257 218 H PHE 29 H PHE 29 -16.598 3.618 -1.872 219 HA PHE 29 HA PHE 29 -19.347 4.015 -1.001 220 HB2 PHE 29 HB2 PHE 29 -17.381 5.787 -2.449 221 HB3 PHE 29 HB3 PHE 29 -19.097 6.161 -2.360 222 HD1 PHE 29 HD1 PHE 29 -16.102 5.544 -0.258 223 HD2 PHE 29 HD2 PHE 29 -19.970 7.290 -0.544 224 HE1 PHE 29 HE1 PHE 29 -15.738 6.692 1.884 225 HE2 PHE 29 HE2 PHE 29 -19.616 8.434 1.601 226 HZ PHE 29 HZ PHE 29 -17.499 8.137 2.820 227 H GLN 30 H GLN 30 -20.665 4.923 -2.822 228 HA GLN 30 HA GLN 30 -20.203 3.986 -5.475 229 HB2 GLN 30 HB2 GLN 30 -22.328 2.663 -5.528 230 HB3 GLN 30 HB3 GLN 30 -21.026 1.910 -4.628 231 HG2 GLN 30 HG2 GLN 30 -22.050 2.633 -2.543 232 HG3 GLN 30 HG3 GLN 30 -23.337 3.432 -3.443 233 HE21 GLN 30 HE21 GLN 30 -23.467 1.287 -1.466 234 HE22 GLN 30 HE22 GLN 30 -24.273 -0.027 -2.249 235 H HIS 31 H HIS 31 -22.208 5.458 -3.054 236 HA HIS 31 HA HIS 31 -23.367 7.233 -5.096 237 HB2 HIS 31 HB2 HIS 31 -25.088 5.759 -4.133 238 HB3 HIS 31 HB3 HIS 31 -24.625 6.263 -2.513 239 HD1 HIS 31 HD1 HIS 31 -25.982 8.084 -1.557 240 HD2 HIS 31 HD2 HIS 31 -26.124 8.069 -5.710 241 HE1 HIS 31 HE1 HIS 31 -27.647 9.864 -2.184 242 HE2 HIS 31 HE2 HIS 31 -27.816 9.738 -4.693 243 H LEU 32 H LEU 32 -21.734 8.772 -4.856 244 HA LEU 32 HA LEU 32 -21.581 10.042 -2.209 245 HB2 LEU 32 HB2 LEU 32 -19.174 10.468 -2.608 246 HB3 LEU 32 HB3 LEU 32 -19.552 8.787 -2.372 247 HG LEU 32 HG LEU 32 -19.305 9.894 -5.152 248 HD11 LEU 32 HD11 LEU 32 -17.024 8.999 -3.393 249 HD12 LEU 32 HD12 LEU 32 -17.304 10.638 -3.980 250 HD13 LEU 32 HD13 LEU 32 -16.921 9.349 -5.119 251 HD21 LEU 32 HD21 LEU 32 -18.625 7.194 -3.996 252 HD22 LEU 32 HD22 LEU 32 -18.647 7.643 -5.698 253 HD23 LEU 32 HD23 LEU 32 -20.152 7.591 -4.782 254 H THR 33 H THR 33 -20.277 12.089 -2.386 255 HA THR 33 HA THR 33 -20.649 13.539 -4.904 256 HB THR 33 HB THR 33 -20.962 14.771 -2.149 257 HG1 THR 33 HG1 THR 33 -22.805 13.469 -3.802 258 HG21 THR 33 HG21 THR 33 -21.661 15.786 -4.910 259 HG22 THR 33 HG22 THR 33 -20.353 16.370 -3.880 260 HG23 THR 33 HG23 THR 33 -22.032 16.615 -3.401 261 H ASN 34 H ASN 34 -18.985 15.359 -5.022 262 HA ASN 34 HA ASN 34 -16.424 14.532 -4.712 263 HB2 ASN 34 HB2 ASN 34 -15.785 17.002 -4.641 264 HB3 ASN 34 HB3 ASN 34 -16.754 16.466 -6.005 265 HD21 ASN 34 HD21 ASN 34 -17.452 18.569 -6.381 266 HD22 ASN 34 HD22 ASN 34 -18.636 19.335 -5.380 267 H GLU 35 H GLU 35 -18.335 16.139 -2.233 268 HA GLU 35 HA GLU 35 -16.235 16.578 -0.423 269 HB2 GLU 35 HB2 GLU 35 -18.040 16.858 1.267 270 HB3 GLU 35 HB3 GLU 35 -18.233 17.837 -0.180 271 HG2 GLU 35 HG2 GLU 35 -19.883 16.312 -1.037 272 HG3 GLU 35 HG3 GLU 35 -19.648 15.235 0.339 273 H GLU 36 H GLU 36 -18.228 13.704 -0.978 274 HA GLU 36 HA GLU 36 -17.804 12.541 1.575 275 HB2 GLU 36 HB2 GLU 36 -18.446 11.253 -1.079 276 HB3 GLU 36 HB3 GLU 36 -18.521 10.436 0.474 277 HG2 GLU 36 HG2 GLU 36 -20.150 12.867 -0.216 278 HG3 GLU 36 HG3 GLU 36 -20.712 11.210 -0.435 279 H ARG 37 H ARG 37 -16.040 12.518 -1.443 280 HA ARG 37 HA ARG 37 -14.252 10.435 -0.766 281 HB2 ARG 37 HB2 ARG 37 -14.717 11.032 -3.072 282 HB3 ARG 37 HB3 ARG 37 -14.084 12.651 -2.809 283 HG2 ARG 37 HG2 ARG 37 -11.897 11.829 -2.491 284 HG3 ARG 37 HG3 ARG 37 -12.461 10.163 -2.473 285 HD2 ARG 37 HD2 ARG 37 -13.062 10.288 -4.800 286 HD3 ARG 37 HD3 ARG 37 -12.686 12.010 -4.843 287 HE ARG 37 HE ARG 37 -10.334 11.264 -4.272 288 HH11 ARG 37 HH11 ARG 37 -12.547 9.267 -6.130 289 HH12 ARG 37 HH12 ARG 37 -11.274 8.435 -6.966 290 HH21 ARG 37 HH21 ARG 37 -8.680 10.182 -5.371 291 HH22 ARG 37 HH22 ARG 37 -9.074 8.966 -6.551 292 H ASN 38 H ASN 38 -14.192 13.929 -0.495 293 HA ASN 38 HA ASN 38 -11.466 14.039 0.404 294 HB2 ASN 38 HB2 ASN 38 -12.573 15.903 -0.807 295 HB3 ASN 38 HB3 ASN 38 -13.628 16.148 0.578 296 HD21 ASN 38 HD21 ASN 38 -12.925 18.216 0.943 297 HD22 ASN 38 HD22 ASN 38 -11.350 18.580 1.556 298 H ASP 39 H ASP 39 -14.634 14.026 1.909 299 HA ASP 39 HA ASP 39 -13.661 14.762 4.508 300 HB2 ASP 39 HB2 ASP 39 -15.958 15.276 3.588 301 HB3 ASP 39 HB3 ASP 39 -16.350 13.576 3.813 302 H MET 40 H MET 40 -15.130 11.757 3.215 303 HA MET 40 HA MET 40 -14.133 10.394 5.621 304 HB2 MET 40 HB2 MET 40 -16.334 9.607 3.712 305 HB3 MET 40 HB3 MET 40 -15.812 8.649 5.091 306 HG2 MET 40 HG2 MET 40 -16.458 10.465 6.592 307 HG3 MET 40 HG3 MET 40 -16.991 11.414 5.207 308 HE1 MET 40 HE1 MET 40 -18.986 7.486 6.581 309 HE2 MET 40 HE2 MET 40 -17.601 8.223 7.384 310 HE3 MET 40 HE3 MET 40 -17.418 7.521 5.777 311 H ILE 41 H ILE 41 -13.383 10.788 2.433 312 HA ILE 41 HA ILE 41 -11.826 9.843 1.086 313 HB ILE 41 HB ILE 41 -11.393 8.043 3.458 314 HG12 ILE 41 HG12 ILE 41 -9.086 9.027 3.285 315 HG13 ILE 41 HG13 ILE 41 -9.687 10.080 2.012 316 HG21 ILE 41 HG21 ILE 41 -11.119 6.612 1.521 317 HG22 ILE 41 HG22 ILE 41 -9.551 6.957 2.251 318 HG23 ILE 41 HG23 ILE 41 -10.040 7.792 0.777 319 HD11 ILE 41 HD11 ILE 41 -10.737 10.020 4.829 320 HD12 ILE 41 HD12 ILE 41 -11.194 11.147 3.552 321 HD13 ILE 41 HD13 ILE 41 -9.557 11.173 4.208 322 H SER 42 H SER 42 -12.505 8.927 -0.711 323 HA SER 42 HA SER 42 -14.411 6.724 -0.533 324 HB2 SER 42 HB2 SER 42 -13.575 8.415 -2.890 325 HB3 SER 42 HB3 SER 42 -14.746 7.099 -2.945 326 HG SER 42 HG SER 42 -15.591 8.546 -1.009 327 H TYR 43 H TYR 43 -12.671 5.346 0.213 328 HA TYR 43 HA TYR 43 -11.208 4.213 -2.069 329 HB2 TYR 43 HB2 TYR 43 -9.610 5.066 -0.534 330 HB3 TYR 43 HB3 TYR 43 -10.495 4.416 0.839 331 HD1 TYR 43 HD1 TYR 43 -9.748 2.442 1.792 332 HD2 TYR 43 HD2 TYR 43 -8.738 3.271 -2.255 333 HE1 TYR 43 HE1 TYR 43 -8.371 0.413 1.726 334 HE2 TYR 43 HE2 TYR 43 -7.355 1.237 -2.331 335 HH TYR 43 HH TYR 43 -7.475 -1.133 0.161 336 H LYS 44 H LYS 44 -11.301 2.014 -2.369 337 HA LYS 44 HA LYS 44 -13.683 0.766 -1.335 338 HB2 LYS 44 HB2 LYS 44 -11.594 -0.189 -3.296 339 HB3 LYS 44 HB3 LYS 44 -13.061 -1.071 -2.903 340 HG2 LYS 44 HG2 LYS 44 -14.421 0.689 -3.823 341 HG3 LYS 44 HG3 LYS 44 -12.994 1.685 -4.102 342 HD2 LYS 44 HD2 LYS 44 -12.137 0.057 -5.690 343 HD3 LYS 44 HD3 LYS 44 -13.515 -0.998 -5.375 344 HE2 LYS 44 HE2 LYS 44 -13.778 0.281 -7.456 345 HE3 LYS 44 HE3 LYS 44 -15.032 0.655 -6.276 346 HZ1 LYS 44 HZ1 LYS 44 -14.198 2.654 -7.329 347 HZ2 LYS 44 HZ2 LYS 44 -12.622 2.305 -6.826 348 HZ3 LYS 44 HZ3 LYS 44 -13.816 2.663 -5.683 349 H GLU 45 H GLU 45 -13.838 -0.841 0.094 350 HA GLU 45 HA GLU 45 -11.647 -1.654 1.713 351 HB2 GLU 45 HB2 GLU 45 -13.917 -1.604 2.576 352 HB3 GLU 45 HB3 GLU 45 -14.405 -2.827 1.413 353 HG2 GLU 45 HG2 GLU 45 -14.091 -3.800 3.581 354 HG3 GLU 45 HG3 GLU 45 -12.899 -4.433 2.462 355 H ASN 46 H ASN 46 -12.679 -2.529 -1.350 356 HA ASN 46 HA ASN 46 -12.077 -5.267 -1.458 357 HB2 ASN 46 HB2 ASN 46 -11.936 -3.150 -3.611 358 HB3 ASN 46 HB3 ASN 46 -11.742 -4.870 -3.916 359 HD21 ASN 46 HD21 ASN 46 -13.511 -4.948 -5.260 360 HD22 ASN 46 HD22 ASN 46 -15.133 -4.839 -4.669 361 H GLY 47 H GLY 47 -10.030 -2.529 -1.155 362 HA2 GLY 47 HA2 GLY 47 -7.731 -2.388 -0.999 363 HA3 GLY 47 HA3 GLY 47 -7.673 -4.152 -1.114 364 H ASP 48 H ASP 48 -9.232 -2.077 -3.436 365 HA ASP 48 HA ASP 48 -8.422 -3.548 -5.598 366 HB2 ASP 48 HB2 ASP 48 -9.244 -1.692 -6.966 367 HB3 ASP 48 HB3 ASP 48 -10.339 -2.065 -5.649 368 H VAL 49 H VAL 49 -6.977 -0.420 -4.539 369 HA VAL 49 HA VAL 49 -4.757 -1.061 -6.318 370 HB VAL 49 HB VAL 49 -4.157 1.349 -6.018 371 HG11 VAL 49 HG11 VAL 49 -6.845 0.739 -7.226 372 HG12 VAL 49 HG12 VAL 49 -5.281 0.536 -8.013 373 HG13 VAL 49 HG13 VAL 49 -5.855 2.151 -7.595 374 HG21 VAL 49 HG21 VAL 49 -5.418 1.789 -3.945 375 HG22 VAL 49 HG22 VAL 49 -6.927 1.541 -4.823 376 HG23 VAL 49 HG23 VAL 49 -5.886 2.900 -5.233 377 H HIS 50 H HIS 50 -3.601 -2.421 -5.066 378 HA HIS 50 HA HIS 50 -2.301 -1.271 -2.701 379 HB2 HIS 50 HB2 HIS 50 -4.064 -2.873 -1.985 380 HB3 HIS 50 HB3 HIS 50 -3.305 -4.120 -2.961 381 HD1 HIS 50 HD1 HIS 50 -3.393 -2.831 0.398 382 HD2 HIS 50 HD2 HIS 50 -0.560 -4.721 -1.981 383 HE1 HIS 50 HE1 HIS 50 -1.691 -3.758 1.987 384 HE2 HIS 50 HE2 HIS 50 -0.126 -5.093 0.538 385 H VAL 51 H VAL 51 -0.320 -0.939 -3.516 386 HA VAL 51 HA VAL 51 0.939 -3.141 -5.019 387 HB VAL 51 HB VAL 51 2.299 -1.355 -6.158 388 HG11 VAL 51 HG11 VAL 51 0.566 -0.669 -7.710 389 HG12 VAL 51 HG12 VAL 51 -0.679 -1.083 -6.532 390 HG13 VAL 51 HG13 VAL 51 0.315 -2.353 -7.248 391 HG21 VAL 51 HG21 VAL 51 2.040 0.395 -4.547 392 HG22 VAL 51 HG22 VAL 51 0.302 0.449 -4.851 393 HG23 VAL 51 HG23 VAL 51 1.436 0.919 -6.120 394 H LEU 52 H LEU 52 3.016 -3.720 -4.467 395 HA LEU 52 HA LEU 52 4.100 -2.407 -2.078 396 HB2 LEU 52 HB2 LEU 52 5.101 -5.001 -3.244 397 HB3 LEU 52 HB3 LEU 52 5.361 -4.357 -1.636 398 HG LEU 52 HG LEU 52 2.735 -5.395 -2.700 399 HD11 LEU 52 HD11 LEU 52 4.373 -7.150 -2.287 400 HD12 LEU 52 HD12 LEU 52 3.072 -7.199 -1.098 401 HD13 LEU 52 HD13 LEU 52 4.642 -6.526 -0.662 402 HD21 LEU 52 HD21 LEU 52 1.975 -5.140 -0.368 403 HD22 LEU 52 HD22 LEU 52 2.363 -3.597 -1.127 404 HD23 LEU 52 HD23 LEU 52 3.491 -4.326 0.017 405 H THR 53 H THR 53 6.008 -1.349 -2.132 406 HA THR 53 HA THR 53 7.722 -1.514 -4.455 407 HB THR 53 HB THR 53 5.907 0.030 -5.172 408 HG1 THR 53 HG1 THR 53 7.370 1.144 -6.226 409 HG21 THR 53 HG21 THR 53 5.366 0.992 -2.986 410 HG22 THR 53 HG22 THR 53 5.740 2.248 -4.165 411 HG23 THR 53 HG23 THR 53 6.935 1.794 -2.950 412 H ILE 54 H ILE 54 9.168 0.780 -4.125 413 HA ILE 54 HA ILE 54 10.346 0.344 -1.463 414 HB ILE 54 HB ILE 54 11.462 0.203 -4.135 415 HG12 ILE 54 HG12 ILE 54 12.815 -0.409 -1.520 416 HG13 ILE 54 HG13 ILE 54 11.570 -1.452 -2.197 417 HG21 ILE 54 HG21 ILE 54 12.931 1.965 -2.187 418 HG22 ILE 54 HG22 ILE 54 12.316 2.424 -3.776 419 HG23 ILE 54 HG23 ILE 54 13.631 1.255 -3.640 420 HD11 ILE 54 HD11 ILE 54 12.937 -1.795 -4.183 421 HD12 ILE 54 HD12 ILE 54 13.814 -2.241 -2.720 422 HD13 ILE 54 HD13 ILE 54 14.166 -0.713 -3.529 423 H CYS 55 H CYS 55 10.953 2.081 -0.252 424 HA CYS 55 HA CYS 55 9.640 4.575 -0.713 425 HB2 CYS 55 HB2 CYS 55 11.773 4.259 1.371 426 HB3 CYS 55 HB3 CYS 55 10.304 5.213 1.429 427 H GLU 56 H GLU 56 11.244 6.541 0.118 428 HA GLU 56 HA GLU 56 13.257 6.857 -1.928 429 HB2 GLU 56 HB2 GLU 56 11.898 8.767 -1.164 430 HB3 GLU 56 HB3 GLU 56 12.498 8.557 0.472 431 HG2 GLU 56 HG2 GLU 56 14.799 9.006 -0.446 432 HG3 GLU 56 HG3 GLU 56 14.004 9.485 -1.944 433 H ASP 57 H ASP 57 12.916 5.919 1.343 434 HA ASP 57 HA ASP 57 15.564 6.329 2.241 435 HB2 ASP 57 HB2 ASP 57 14.718 5.750 4.257 436 HB3 ASP 57 HB3 ASP 57 13.183 5.927 3.448 437 H CYS 58 H CYS 58 13.833 3.333 1.282 438 HA CYS 58 HA CYS 58 16.175 1.741 1.643 439 HB2 CYS 58 HB2 CYS 58 14.714 0.013 0.360 440 HB3 CYS 58 HB3 CYS 58 14.211 0.518 1.964 441 H GLN 59 H GLN 59 14.634 3.323 -1.109 442 HA GLN 59 HA GLN 59 16.104 2.135 -3.179 443 HB2 GLN 59 HB2 GLN 59 14.120 3.769 -3.346 444 HB3 GLN 59 HB3 GLN 59 15.308 5.046 -3.181 445 HG2 GLN 59 HG2 GLN 59 15.469 2.938 -5.325 446 HG3 GLN 59 HG3 GLN 59 14.579 4.434 -5.532 447 HE21 GLN 59 HE21 GLN 59 16.424 6.196 -4.254 448 HE22 GLN 59 HE22 GLN 59 17.836 6.266 -5.241 449 H GLU 60 H GLU 60 16.899 4.673 -0.941 450 HA GLU 60 HA GLU 60 19.200 5.642 -2.267 451 HB2 GLU 60 HB2 GLU 60 17.688 6.489 -0.238 452 HB3 GLU 60 HB3 GLU 60 18.984 5.769 0.690 453 HG2 GLU 60 HG2 GLU 60 19.531 7.771 -1.471 454 HG3 GLU 60 HG3 GLU 60 19.124 8.260 0.170 455 H ALA 61 H ALA 61 18.740 3.410 0.447 456 HA ALA 61 HA ALA 61 21.474 2.757 0.797 457 HB1 ALA 61 HB1 ALA 61 20.617 0.789 2.019 458 HB2 ALA 61 HB2 ALA 61 18.990 1.163 1.453 459 HB3 ALA 61 HB3 ALA 61 19.827 2.280 2.533 460 H LEU 62 H LEU 62 18.943 1.803 -1.289 461 HA LEU 62 HA LEU 62 20.009 -0.612 -2.263 462 HB2 LEU 62 HB2 LEU 62 17.683 0.892 -2.511 463 HB3 LEU 62 HB3 LEU 62 18.355 0.835 -4.132 464 HG LEU 62 HG LEU 62 18.643 -1.682 -3.511 465 HD11 LEU 62 HD11 LEU 62 17.838 -1.516 -1.257 466 HD12 LEU 62 HD12 LEU 62 16.755 -2.528 -2.210 467 HD13 LEU 62 HD13 LEU 62 16.302 -0.866 -1.828 468 HD21 LEU 62 HD21 LEU 62 16.509 -2.163 -4.620 469 HD22 LEU 62 HD22 LEU 62 17.406 -0.878 -5.431 470 HD23 LEU 62 HD23 LEU 62 16.037 -0.477 -4.395 471 H ASP 63 H ASP 63 19.753 2.573 -3.740 472 HA ASP 63 HA ASP 63 21.329 1.939 -6.004 473 HB2 ASP 63 HB2 ASP 63 19.566 3.635 -6.036 474 HB3 ASP 63 HB3 ASP 63 20.465 4.631 -4.903 475 H ARG 64 H ARG 64 22.059 3.399 -2.897 476 HA ARG 64 HA ARG 64 24.718 4.222 -3.550 477 HB2 ARG 64 HB2 ARG 64 23.457 5.160 -1.650 478 HB3 ARG 64 HB3 ARG 64 23.457 3.587 -0.870 479 HG2 ARG 64 HG2 ARG 64 25.124 4.827 0.208 480 HG3 ARG 64 HG3 ARG 64 25.985 3.735 -0.879 481 HD2 ARG 64 HD2 ARG 64 26.334 5.499 -2.465 482 HD3 ARG 64 HD3 ARG 64 25.306 6.594 -1.541 483 HE ARG 64 HE ARG 64 27.566 5.573 -0.072 484 HH11 ARG 64 HH11 ARG 64 26.413 8.088 -2.211 485 HH12 ARG 64 HH12 ARG 64 27.602 9.246 -1.702 486 HH21 ARG 64 HH21 ARG 64 29.140 7.087 0.602 487 HH22 ARG 64 HH22 ARG 64 29.162 8.670 -0.108 488 H ASN 65 H ASN 65 23.250 1.358 -2.182 489 HA ASN 65 HA ASN 65 24.093 -0.544 -1.275 490 HB2 ASN 65 HB2 ASN 65 25.155 -1.975 -2.971 491 HB3 ASN 65 HB3 ASN 65 23.693 -1.176 -3.510 492 HD21 ASN 65 HD21 ASN 65 27.101 -1.513 -3.943 493 HD22 ASN 65 HD22 ASN 65 27.223 -0.585 -5.397 494 HA PRO 66 HA PRO 66 28.282 0.650 0.132 495 HB2 PRO 66 HB2 PRO 66 27.114 0.714 2.780 496 HB3 PRO 66 HB3 PRO 66 27.893 2.025 1.894 497 HG2 PRO 66 HG2 PRO 66 25.219 1.971 2.457 498 HG3 PRO 66 HG3 PRO 66 25.906 2.817 1.065 499 HD2 PRO 66 HD2 PRO 66 24.579 0.139 1.211 500 HD3 PRO 66 HD3 PRO 66 24.407 1.422 -0.010 501 H HIS 67 H HIS 67 25.991 -1.047 2.255 502 HA HIS 67 HA HIS 67 27.245 -3.594 1.706 503 HB2 HIS 67 HB2 HIS 67 27.685 -4.150 4.050 504 HB3 HIS 67 HB3 HIS 67 28.621 -2.741 3.575 505 HD1 HIS 67 HD1 HIS 67 26.183 -3.921 6.037 506 HD2 HIS 67 HD2 HIS 67 27.600 -0.260 4.674 507 HE1 HIS 67 HE1 HIS 67 25.492 -2.237 7.776 508 HE2 HIS 67 HE2 HIS 67 26.342 -0.027 6.920 509 H TYR 68 H TYR 68 24.812 -2.623 0.986 510 HA TYR 68 HA TYR 68 22.894 -3.735 2.919 511 HB2 TYR 68 HB2 TYR 68 22.611 -1.325 2.382 512 HB3 TYR 68 HB3 TYR 68 22.377 -1.755 0.692 513 HD1 TYR 68 HD1 TYR 68 20.963 -2.237 4.089 514 HD2 TYR 68 HD2 TYR 68 20.243 -2.339 -0.103 515 HE1 TYR 68 HE1 TYR 68 18.562 -2.528 4.514 516 HE2 TYR 68 HE2 TYR 68 17.837 -2.632 0.315 517 HH TYR 68 HH TYR 68 16.421 -2.120 3.338 518 H HIS 69 H HIS 69 23.102 -3.211 -0.570 519 HA HIS 69 HA HIS 69 22.722 -5.992 -1.159 520 HB2 HIS 69 HB2 HIS 69 20.382 -5.090 -0.631 521 HB3 HIS 69 HB3 HIS 69 20.540 -4.114 -2.087 522 HD1 HIS 69 HD1 HIS 69 20.681 -5.454 -4.382 523 HD2 HIS 69 HD2 HIS 69 19.698 -7.720 -1.039 524 HE1 HIS 69 HE1 HIS 69 19.726 -7.595 -5.275 525 HE2 HIS 69 HE2 HIS 69 18.982 -8.875 -3.242 526 H GLU 70 H GLU 70 24.756 -5.403 -2.104 527 HA GLU 70 HA GLU 70 24.955 -3.409 -4.120 528 HB2 GLU 70 HB2 GLU 70 26.813 -5.705 -3.467 529 HB3 GLU 70 HB3 GLU 70 27.197 -4.376 -4.543 530 HG2 GLU 70 HG2 GLU 70 28.229 -4.067 -2.370 531 HG3 GLU 70 HG3 GLU 70 27.045 -2.805 -2.688 532 H TYR 71 H TYR 71 25.415 -6.925 -4.396 533 HA TYR 71 HA TYR 71 23.425 -7.338 -6.308 534 HB2 TYR 71 HB2 TYR 71 25.337 -5.971 -7.577 535 HB3 TYR 71 HB3 TYR 71 26.050 -7.576 -7.709 536 HD1 TYR 71 HD1 TYR 71 24.603 -9.430 -8.740 537 HD2 TYR 71 HD2 TYR 71 23.660 -5.295 -9.048 538 HE1 TYR 71 HE1 TYR 71 23.133 -9.912 -10.647 539 HE2 TYR 71 HE2 TYR 71 22.190 -5.768 -10.958 540 HH TYR 71 HH TYR 71 21.922 -7.514 -12.693 541 H HIS 72 H HIS 72 23.167 -9.519 -6.718 542 HA HIS 72 HA HIS 72 25.020 -11.281 -5.290 543 HB2 HIS 72 HB2 HIS 72 22.197 -11.688 -6.269 544 HB3 HIS 72 HB3 HIS 72 23.189 -13.005 -5.656 545 HD1 HIS 72 HD1 HIS 72 23.763 -12.961 -3.102 546 HD2 HIS 72 HD2 HIS 72 21.099 -10.027 -4.347 547 HE1 HIS 72 HE1 HIS 72 22.694 -12.085 -1.003 548 HE2 HIS 72 HE2 HIS 72 20.950 -10.455 -1.801 549 H THR 73 H THR 73 26.525 -10.851 -7.106 550 HA THR 73 HA THR 73 27.631 -11.422 -8.994 551 HB THR 73 HB THR 73 27.628 -13.868 -9.549 552 HG1 THR 73 HG1 THR 73 25.306 -13.872 -8.385 553 HG21 THR 73 HG21 THR 73 27.945 -13.164 -6.633 554 HG22 THR 73 HG22 THR 73 29.154 -12.913 -7.890 555 HG23 THR 73 HG23 THR 73 28.669 -14.550 -7.450 Start of MODEL 8 1 H1 GLN -1 H1 GLN -1 -12.617 10.269 3.335 2 H2 GLN -1 H2 GLN -1 -11.442 10.432 4.541 3 H3 GLN -1 H3 GLN -1 -12.007 8.897 4.112 4 HA GLN -1 HA GLN -1 -10.549 10.721 2.310 5 HB2 GLN -1 HB2 GLN -1 -8.643 9.180 2.585 6 HB3 GLN -1 HB3 GLN -1 -9.069 9.975 4.089 7 HG2 GLN -1 HG2 GLN -1 -10.273 7.930 4.780 8 HG3 GLN -1 HG3 GLN -1 -9.716 7.144 3.303 9 HE21 GLN -1 HE21 GLN -1 -9.193 6.419 6.066 10 HE22 GLN -1 HE22 GLN -1 -7.476 6.451 6.260 11 H SER 0 H SER 0 -10.239 9.954 0.253 12 HA SER 0 HA SER 0 -11.718 7.509 -0.434 13 HB2 SER 0 HB2 SER 0 -12.303 8.793 -2.592 14 HB3 SER 0 HB3 SER 0 -13.166 9.233 -1.118 15 HG SER 0 HG SER 0 -11.125 10.617 -2.475 16 H MET 1 H MET 1 -9.606 6.534 -0.315 17 HA MET 1 HA MET 1 -7.668 7.288 -2.369 18 HB2 MET 1 HB2 MET 1 -7.535 5.170 -0.211 19 HB3 MET 1 HB3 MET 1 -6.208 5.656 -1.258 20 HG2 MET 1 HG2 MET 1 -6.175 7.851 -0.275 21 HG3 MET 1 HG3 MET 1 -7.608 7.480 0.682 22 HE1 MET 1 HE1 MET 1 -7.091 4.544 1.670 23 HE2 MET 1 HE2 MET 1 -7.663 5.849 2.710 24 HE3 MET 1 HE3 MET 1 -6.302 4.849 3.217 25 H ALA 2 H ALA 2 -6.806 5.662 -3.819 26 HA ALA 2 HA ALA 2 -8.877 3.725 -4.584 27 HB1 ALA 2 HB1 ALA 2 -6.815 5.095 -6.294 28 HB2 ALA 2 HB2 ALA 2 -8.544 5.441 -6.255 29 HB3 ALA 2 HB3 ALA 2 -7.968 3.890 -6.865 30 H LEU 3 H LEU 3 -5.392 4.176 -4.772 31 HA LEU 3 HA LEU 3 -5.047 1.270 -4.461 32 HB2 LEU 3 HB2 LEU 3 -2.953 3.190 -5.441 33 HB3 LEU 3 HB3 LEU 3 -2.838 1.475 -5.406 34 HG LEU 3 HG LEU 3 -4.673 1.430 -7.143 35 HD11 LEU 3 HD11 LEU 3 -5.488 3.663 -6.780 36 HD12 LEU 3 HD12 LEU 3 -4.932 3.470 -8.444 37 HD13 LEU 3 HD13 LEU 3 -3.933 4.324 -7.269 38 HD21 LEU 3 HD21 LEU 3 -2.350 0.989 -7.696 39 HD22 LEU 3 HD22 LEU 3 -2.029 2.720 -7.800 40 HD23 LEU 3 HD23 LEU 3 -3.106 1.953 -8.966 41 H HIS 4 H HIS 4 -3.299 0.573 -3.103 42 HA HIS 4 HA HIS 4 -2.412 2.617 -1.178 43 HB2 HIS 4 HB2 HIS 4 -3.564 -0.023 -0.676 44 HB3 HIS 4 HB3 HIS 4 -2.134 0.332 0.246 45 HD1 HIS 4 HD1 HIS 4 -5.620 0.477 0.664 46 HD2 HIS 4 HD2 HIS 4 -2.524 3.151 1.435 47 HE1 HIS 4 HE1 HIS 4 -6.488 2.031 2.430 48 HE2 HIS 4 HE2 HIS 4 -4.546 3.529 3.000 49 H TYR 5 H TYR 5 -0.414 2.899 -1.193 50 HA TYR 5 HA TYR 5 1.414 0.947 -2.392 51 HB2 TYR 5 HB2 TYR 5 1.635 3.896 -1.816 52 HB3 TYR 5 HB3 TYR 5 3.065 2.921 -2.123 53 HD1 TYR 5 HD1 TYR 5 3.932 3.198 -4.152 54 HD2 TYR 5 HD2 TYR 5 -0.297 3.350 -3.805 55 HE1 TYR 5 HE1 TYR 5 3.773 3.653 -6.534 56 HE2 TYR 5 HE2 TYR 5 -0.484 3.807 -6.216 57 HH TYR 5 HH TYR 5 2.145 3.433 -8.365 58 H TYR 6 H TYR 6 2.461 -0.352 -1.026 59 HA TYR 6 HA TYR 6 3.351 0.787 1.544 60 HB2 TYR 6 HB2 TYR 6 2.400 -2.044 1.031 61 HB3 TYR 6 HB3 TYR 6 3.126 -1.486 2.531 62 HD1 TYR 6 HD1 TYR 6 0.082 -1.842 0.668 63 HD2 TYR 6 HD2 TYR 6 1.901 0.354 3.835 64 HE1 TYR 6 HE1 TYR 6 -2.135 -1.232 1.515 65 HE2 TYR 6 HE2 TYR 6 -0.329 0.967 4.681 66 HH TYR 6 HH TYR 6 -3.149 -0.541 3.681 67 H CYS 7 H CYS 7 5.507 0.240 2.140 68 HA CYS 7 HA CYS 7 7.021 -0.436 -0.229 69 HB2 CYS 7 HB2 CYS 7 7.643 1.504 1.342 70 HB3 CYS 7 HB3 CYS 7 8.327 0.269 2.381 71 H ARG 8 H ARG 8 7.897 -2.229 -0.691 72 HA ARG 8 HA ARG 8 7.959 -4.534 0.860 73 HB2 ARG 8 HB2 ARG 8 9.923 -5.132 -0.727 74 HB3 ARG 8 HB3 ARG 8 8.319 -4.898 -1.408 75 HG2 ARG 8 HG2 ARG 8 8.879 -2.838 -2.345 76 HG3 ARG 8 HG3 ARG 8 10.282 -2.639 -1.288 77 HD2 ARG 8 HD2 ARG 8 10.120 -4.867 -3.290 78 HD3 ARG 8 HD3 ARG 8 10.708 -3.265 -3.738 79 HE ARG 8 HE ARG 8 12.427 -3.570 -1.981 80 HH11 ARG 8 HH11 ARG 8 10.843 -6.382 -3.340 81 HH12 ARG 8 HH12 ARG 8 12.148 -7.459 -2.968 82 HH21 ARG 8 HH21 ARG 8 14.145 -4.989 -1.469 83 HH22 ARG 8 HH22 ARG 8 14.026 -6.665 -1.898 84 H HIS 9 H HIS 9 8.919 -4.778 2.722 85 HA HIS 9 HA HIS 9 10.741 -5.443 3.964 86 HB2 HIS 9 HB2 HIS 9 12.237 -5.457 2.034 87 HB3 HIS 9 HB3 HIS 9 12.404 -3.708 2.125 88 HD1 HIS 9 HD1 HIS 9 14.433 -2.945 3.301 89 HD2 HIS 9 HD2 HIS 9 13.248 -6.718 4.574 90 HE1 HIS 9 HE1 HIS 9 16.182 -3.679 4.944 91 HE2 HIS 9 HE2 HIS 9 15.388 -5.914 5.785 92 H CYS 10 H CYS 10 10.087 -2.110 3.185 93 HA CYS 10 HA CYS 10 11.118 -1.260 5.788 94 HB2 CYS 10 HB2 CYS 10 9.748 0.473 3.755 95 HB3 CYS 10 HB3 CYS 10 10.810 0.980 5.056 96 H GLY 11 H GLY 11 8.123 -1.786 4.073 97 HA2 GLY 11 HA2 GLY 11 5.985 -2.064 4.876 98 HA3 GLY 11 HA3 GLY 11 6.615 -1.819 6.513 99 H VAL 12 H VAL 12 7.557 0.689 4.500 100 HA VAL 12 HA VAL 12 5.885 2.497 5.909 101 HB VAL 12 HB VAL 12 8.031 3.350 5.628 102 HG11 VAL 12 HG11 VAL 12 7.862 3.001 2.650 103 HG12 VAL 12 HG12 VAL 12 8.622 1.829 3.717 104 HG13 VAL 12 HG13 VAL 12 9.267 3.460 3.610 105 HG21 VAL 12 HG21 VAL 12 7.781 5.349 4.285 106 HG22 VAL 12 HG22 VAL 12 6.314 5.021 5.213 107 HG23 VAL 12 HG23 VAL 12 6.380 4.639 3.491 108 H LYS 13 H LYS 13 4.237 3.718 5.235 109 HA LYS 13 HA LYS 13 2.820 2.682 2.936 110 HB2 LYS 13 HB2 LYS 13 1.968 4.878 4.825 111 HB3 LYS 13 HB3 LYS 13 0.942 3.977 3.720 112 HG2 LYS 13 HG2 LYS 13 1.386 1.934 4.993 113 HG3 LYS 13 HG3 LYS 13 2.377 2.861 6.119 114 HD2 LYS 13 HD2 LYS 13 0.448 4.207 6.731 115 HD3 LYS 13 HD3 LYS 13 -0.550 3.339 5.564 116 HE2 LYS 13 HE2 LYS 13 -0.111 1.248 6.813 117 HE3 LYS 13 HE3 LYS 13 0.783 2.184 8.010 118 HZ1 LYS 13 HZ1 LYS 13 -2.077 2.588 7.328 119 HZ2 LYS 13 HZ2 LYS 13 -1.212 3.399 8.536 120 HZ3 LYS 13 HZ3 LYS 13 -1.512 1.742 8.678 121 H VAL 14 H VAL 14 3.691 3.377 1.113 122 HA VAL 14 HA VAL 14 4.736 6.027 0.785 123 HB VAL 14 HB VAL 14 4.265 4.667 -1.729 124 HG11 VAL 14 HG11 VAL 14 5.928 6.436 -1.297 125 HG12 VAL 14 HG12 VAL 14 6.631 4.990 -2.021 126 HG13 VAL 14 HG13 VAL 14 6.836 5.300 -0.293 127 HG21 VAL 14 HG21 VAL 14 4.303 2.579 -0.568 128 HG22 VAL 14 HG22 VAL 14 5.697 3.075 0.396 129 HG23 VAL 14 HG23 VAL 14 5.873 2.795 -1.336 130 H GLY 15 H GLY 15 1.742 4.395 0.212 131 HA2 GLY 15 HA2 GLY 15 0.629 6.888 -0.876 132 HA3 GLY 15 HA3 GLY 15 0.327 5.370 -1.705 133 H SER 16 H SER 16 0.008 6.897 1.468 134 HA SER 16 HA SER 16 -2.787 6.128 1.469 135 HB2 SER 16 HB2 SER 16 -1.474 4.349 2.738 136 HB3 SER 16 HB3 SER 16 -1.097 5.598 3.920 137 HG SER 16 HG SER 16 -3.400 5.893 4.148 138 H LEU 17 H LEU 17 -1.355 8.507 1.029 139 HA LEU 17 HA LEU 17 -2.611 10.372 2.682 140 HB2 LEU 17 HB2 LEU 17 -0.844 11.234 4.035 141 HB3 LEU 17 HB3 LEU 17 -0.953 9.515 4.340 142 HG LEU 17 HG LEU 17 1.092 10.728 2.488 143 HD11 LEU 17 HD11 LEU 17 2.686 10.477 4.316 144 HD12 LEU 17 HD12 LEU 17 1.374 9.990 5.389 145 HD13 LEU 17 HD13 LEU 17 1.406 11.620 4.720 146 HD21 LEU 17 HD21 LEU 17 0.919 8.026 3.813 147 HD22 LEU 17 HD22 LEU 17 2.267 8.603 2.836 148 HD23 LEU 17 HD23 LEU 17 0.683 8.367 2.099 149 H GLU 18 H GLU 18 -0.204 9.472 0.454 150 HA GLU 18 HA GLU 18 -0.281 12.139 -0.779 151 HB2 GLU 18 HB2 GLU 18 1.979 10.156 -0.633 152 HB3 GLU 18 HB3 GLU 18 1.968 11.504 -1.760 153 HG2 GLU 18 HG2 GLU 18 2.018 13.089 -0.001 154 HG3 GLU 18 HG3 GLU 18 1.702 11.851 1.210 155 H SER 19 H SER 19 1.215 9.334 -2.169 156 HA SER 19 HA SER 19 -0.412 9.535 -4.533 157 HB2 SER 19 HB2 SER 19 1.635 7.419 -3.847 158 HB3 SER 19 HB3 SER 19 1.041 7.859 -5.446 159 HG SER 19 HG SER 19 1.935 10.003 -4.972 160 H SER 20 H SER 20 -2.454 9.069 -3.532 161 HA SER 20 HA SER 20 -2.855 6.216 -2.929 162 HB2 SER 20 HB2 SER 20 -4.523 8.287 -1.563 163 HB3 SER 20 HB3 SER 20 -4.044 6.685 -1.005 164 HG SER 20 HG SER 20 -2.912 9.034 -0.473 165 H MET 21 H MET 21 -4.129 9.175 -4.294 166 HA MET 21 HA MET 21 -6.505 7.707 -5.239 167 HB2 MET 21 HB2 MET 21 -7.670 9.863 -5.290 168 HB3 MET 21 HB3 MET 21 -7.057 9.492 -3.687 169 HG2 MET 21 HG2 MET 21 -5.209 11.005 -3.988 170 HG3 MET 21 HG3 MET 21 -5.710 11.324 -5.647 171 HE1 MET 21 HE1 MET 21 -8.092 10.929 -2.522 172 HE2 MET 21 HE2 MET 21 -8.170 12.596 -1.950 173 HE3 MET 21 HE3 MET 21 -6.653 11.701 -1.855 174 H VAL 22 H VAL 22 -3.643 8.592 -6.263 175 HA VAL 22 HA VAL 22 -4.205 9.957 -8.695 176 HB VAL 22 HB VAL 22 -1.993 10.136 -7.778 177 HG11 VAL 22 HG11 VAL 22 -1.835 8.019 -6.603 178 HG12 VAL 22 HG12 VAL 22 -0.437 8.244 -7.657 179 HG13 VAL 22 HG13 VAL 22 -1.737 7.153 -8.138 180 HG21 VAL 22 HG21 VAL 22 -0.623 9.548 -9.722 181 HG22 VAL 22 HG22 VAL 22 -2.158 10.275 -10.198 182 HG23 VAL 22 HG23 VAL 22 -1.928 8.531 -10.330 183 H SER 23 H SER 23 -5.402 9.132 -10.226 184 HA SER 23 HA SER 23 -6.445 7.735 -11.658 185 HB2 SER 23 HB2 SER 23 -5.028 6.179 -12.916 186 HB3 SER 23 HB3 SER 23 -4.213 7.721 -12.685 187 HG SER 23 HG SER 23 -3.474 6.311 -10.645 188 H THR 24 H THR 24 -6.519 5.083 -12.188 189 HA THR 24 HA THR 24 -6.604 3.650 -9.658 190 HB THR 24 HB THR 24 -8.871 4.563 -9.865 191 HG1 THR 24 HG1 THR 24 -9.742 2.713 -9.230 192 HG21 THR 24 HG21 THR 24 -10.367 3.836 -11.660 193 HG22 THR 24 HG22 THR 24 -9.027 3.003 -12.447 194 HG23 THR 24 HG23 THR 24 -9.009 4.759 -12.300 195 H ASP 25 H ASP 25 -5.597 1.816 -9.916 196 HA ASP 25 HA ASP 25 -5.464 0.588 -12.574 197 HB2 ASP 25 HB2 ASP 25 -3.749 0.394 -10.127 198 HB3 ASP 25 HB3 ASP 25 -3.743 -0.915 -11.304 199 H SER 26 H SER 26 -7.326 0.516 -9.974 200 HA SER 26 HA SER 26 -7.493 -2.227 -9.310 201 HB2 SER 26 HB2 SER 26 -8.204 -0.504 -7.751 202 HB3 SER 26 HB3 SER 26 -9.423 0.062 -8.884 203 HG SER 26 HG SER 26 -9.440 -2.622 -8.030 204 H LEU 27 H LEU 27 -10.094 -0.264 -10.720 205 HA LEU 27 HA LEU 27 -11.820 -0.798 -12.083 206 HB2 LEU 27 HB2 LEU 27 -9.528 -2.169 -13.437 207 HB3 LEU 27 HB3 LEU 27 -11.149 -2.232 -14.103 208 HG LEU 27 HG LEU 27 -11.069 0.351 -13.948 209 HD11 LEU 27 HD11 LEU 27 -9.036 0.524 -12.630 210 HD12 LEU 27 HD12 LEU 27 -8.837 1.299 -14.201 211 HD13 LEU 27 HD13 LEU 27 -8.127 -0.288 -13.903 212 HD21 LEU 27 HD21 LEU 27 -9.421 -1.172 -15.946 213 HD22 LEU 27 HD22 LEU 27 -10.060 0.457 -16.165 214 HD23 LEU 27 HD23 LEU 27 -11.163 -0.910 -16.003 215 H GLY 28 H GLY 28 -12.996 -1.930 -10.520 216 HA2 GLY 28 HA2 GLY 28 -12.716 -4.783 -10.226 217 HA3 GLY 28 HA3 GLY 28 -13.986 -3.781 -9.533 218 H PHE 29 H PHE 29 -12.860 -4.825 -12.731 219 HA PHE 29 HA PHE 29 -15.646 -5.361 -13.496 220 HB2 PHE 29 HB2 PHE 29 -13.603 -3.972 -15.239 221 HB3 PHE 29 HB3 PHE 29 -15.268 -4.326 -15.664 222 HD1 PHE 29 HD1 PHE 29 -17.033 -3.318 -13.925 223 HD2 PHE 29 HD2 PHE 29 -13.097 -1.848 -14.584 224 HE1 PHE 29 HE1 PHE 29 -17.703 -1.128 -13.029 225 HE2 PHE 29 HE2 PHE 29 -13.758 0.344 -13.689 226 HZ PHE 29 HZ PHE 29 -16.065 0.704 -12.907 227 H GLN 30 H GLN 30 -15.857 -7.350 -14.272 228 HA GLN 30 HA GLN 30 -13.578 -8.989 -14.874 229 HB2 GLN 30 HB2 GLN 30 -16.517 -9.526 -15.369 230 HB3 GLN 30 HB3 GLN 30 -15.231 -10.722 -15.427 231 HG2 GLN 30 HG2 GLN 30 -15.696 -9.149 -12.938 232 HG3 GLN 30 HG3 GLN 30 -16.730 -10.515 -13.328 233 HE21 GLN 30 HE21 GLN 30 -13.352 -10.512 -14.220 234 HE22 GLN 30 HE22 GLN 30 -12.850 -11.687 -13.061 235 H HIS 31 H HIS 31 -16.398 -8.062 -16.850 236 HA HIS 31 HA HIS 31 -14.538 -7.486 -19.045 237 HB2 HIS 31 HB2 HIS 31 -16.935 -9.282 -19.161 238 HB3 HIS 31 HB3 HIS 31 -16.441 -8.381 -20.590 239 HD1 HIS 31 HD1 HIS 31 -14.282 -9.117 -21.775 240 HD2 HIS 31 HD2 HIS 31 -15.180 -11.342 -18.378 241 HE1 HIS 31 HE1 HIS 31 -12.736 -11.100 -21.832 242 HE2 HIS 31 HE2 HIS 31 -13.198 -12.350 -19.695 243 H LEU 32 H LEU 32 -15.398 -5.547 -17.450 244 HA LEU 32 HA LEU 32 -17.429 -4.168 -19.073 245 HB2 LEU 32 HB2 LEU 32 -16.837 -3.574 -16.172 246 HB3 LEU 32 HB3 LEU 32 -18.084 -2.872 -17.152 247 HG LEU 32 HG LEU 32 -19.086 -5.226 -17.299 248 HD11 LEU 32 HD11 LEU 32 -17.312 -5.596 -14.900 249 HD12 LEU 32 HD12 LEU 32 -17.104 -6.394 -16.457 250 HD13 LEU 32 HD13 LEU 32 -18.539 -6.720 -15.484 251 HD21 LEU 32 HD21 LEU 32 -20.198 -4.946 -15.118 252 HD22 LEU 32 HD22 LEU 32 -20.113 -3.445 -16.038 253 HD23 LEU 32 HD23 LEU 32 -19.005 -3.717 -14.693 254 H THR 33 H THR 33 -17.091 -1.630 -18.320 255 HA THR 33 HA THR 33 -14.259 -0.965 -18.503 256 HB THR 33 HB THR 33 -15.113 0.720 -20.417 257 HG1 THR 33 HG1 THR 33 -16.690 -1.637 -20.637 258 HG21 THR 33 HG21 THR 33 -13.149 -0.707 -20.582 259 HG22 THR 33 HG22 THR 33 -14.105 -0.792 -22.061 260 HG23 THR 33 HG23 THR 33 -14.174 -2.108 -20.889 261 H ASN 34 H ASN 34 -14.262 1.641 -18.958 262 HA ASN 34 HA ASN 34 -15.216 2.821 -16.620 263 HB2 ASN 34 HB2 ASN 34 -14.693 5.005 -17.773 264 HB3 ASN 34 HB3 ASN 34 -13.375 3.850 -17.705 265 HD21 ASN 34 HD21 ASN 34 -12.283 4.707 -19.413 266 HD22 ASN 34 HD22 ASN 34 -12.844 4.614 -21.047 267 H GLU 35 H GLU 35 -16.760 2.368 -19.698 268 HA GLU 35 HA GLU 35 -18.844 4.249 -19.319 269 HB2 GLU 35 HB2 GLU 35 -20.039 2.980 -21.079 270 HB3 GLU 35 HB3 GLU 35 -18.397 3.418 -21.531 271 HG2 GLU 35 HG2 GLU 35 -17.641 1.170 -21.007 272 HG3 GLU 35 HG3 GLU 35 -19.276 0.738 -20.518 273 H GLU 36 H GLU 36 -18.394 0.915 -18.325 274 HA GLU 36 HA GLU 36 -21.066 0.642 -17.304 275 HB2 GLU 36 HB2 GLU 36 -18.580 -1.008 -16.844 276 HB3 GLU 36 HB3 GLU 36 -20.194 -1.446 -16.304 277 HG2 GLU 36 HG2 GLU 36 -19.369 -1.064 -19.171 278 HG3 GLU 36 HG3 GLU 36 -19.529 -2.614 -18.351 279 H ARG 37 H ARG 37 -17.997 1.749 -16.157 280 HA ARG 37 HA ARG 37 -18.356 1.517 -13.409 281 HB2 ARG 37 HB2 ARG 37 -16.201 1.981 -14.477 282 HB3 ARG 37 HB3 ARG 37 -16.787 3.561 -14.986 283 HG2 ARG 37 HG2 ARG 37 -16.986 4.270 -12.724 284 HG3 ARG 37 HG3 ARG 37 -16.545 2.671 -12.134 285 HD2 ARG 37 HD2 ARG 37 -14.339 2.912 -13.188 286 HD3 ARG 37 HD3 ARG 37 -14.785 4.529 -13.732 287 HE ARG 37 HE ARG 37 -15.073 4.218 -10.906 288 HH11 ARG 37 HH11 ARG 37 -12.707 4.756 -13.429 289 HH12 ARG 37 HH12 ARG 37 -11.631 5.654 -12.401 290 HH21 ARG 37 HH21 ARG 37 -13.652 5.398 -9.550 291 HH22 ARG 37 HH22 ARG 37 -12.170 6.021 -10.205 292 H ASN 38 H ASN 38 -19.256 4.104 -15.665 293 HA ASN 38 HA ASN 38 -20.358 5.732 -13.559 294 HB2 ASN 38 HB2 ASN 38 -20.620 5.928 -16.564 295 HB3 ASN 38 HB3 ASN 38 -21.266 7.111 -15.432 296 HD21 ASN 38 HD21 ASN 38 -19.324 7.495 -17.515 297 HD22 ASN 38 HD22 ASN 38 -17.886 8.075 -16.748 298 H ASP 39 H ASP 39 -21.455 3.186 -15.586 299 HA ASP 39 HA ASP 39 -24.245 3.801 -15.467 300 HB2 ASP 39 HB2 ASP 39 -23.508 2.561 -17.353 301 HB3 ASP 39 HB3 ASP 39 -22.697 1.370 -16.345 302 H MET 40 H MET 40 -22.308 1.174 -14.008 303 HA MET 40 HA MET 40 -24.462 0.874 -12.015 304 HB2 MET 40 HB2 MET 40 -24.174 -1.054 -13.560 305 HB3 MET 40 HB3 MET 40 -22.529 -1.243 -12.969 306 HG2 MET 40 HG2 MET 40 -23.996 -2.838 -11.909 307 HG3 MET 40 HG3 MET 40 -23.394 -1.680 -10.723 308 HE1 MET 40 HE1 MET 40 -26.960 -2.437 -9.344 309 HE2 MET 40 HE2 MET 40 -25.237 -2.359 -8.978 310 HE3 MET 40 HE3 MET 40 -25.845 -3.572 -10.105 311 H ILE 41 H ILE 41 -21.155 1.515 -12.530 312 HA ILE 41 HA ILE 41 -19.502 2.208 -11.141 313 HB ILE 41 HB ILE 41 -21.451 1.738 -8.879 314 HG12 ILE 41 HG12 ILE 41 -20.597 4.284 -10.279 315 HG13 ILE 41 HG13 ILE 41 -22.159 3.495 -10.455 316 HG21 ILE 41 HG21 ILE 41 -19.915 3.135 -7.550 317 HG22 ILE 41 HG22 ILE 41 -18.774 3.125 -8.895 318 HG23 ILE 41 HG23 ILE 41 -19.173 1.623 -8.067 319 HD11 ILE 41 HD11 ILE 41 -21.065 4.712 -7.931 320 HD12 ILE 41 HD12 ILE 41 -22.626 3.910 -8.094 321 HD13 ILE 41 HD13 ILE 41 -22.307 5.403 -8.975 322 H SER 42 H SER 42 -21.267 -0.605 -9.924 323 HA SER 42 HA SER 42 -20.651 -2.768 -9.711 324 HB2 SER 42 HB2 SER 42 -17.961 -1.908 -10.785 325 HB3 SER 42 HB3 SER 42 -18.512 -3.573 -10.597 326 HG SER 42 HG SER 42 -20.034 -3.248 -12.167 327 H TYR 43 H TYR 43 -18.921 -0.255 -8.221 328 HA TYR 43 HA TYR 43 -18.133 0.030 -6.123 329 HB2 TYR 43 HB2 TYR 43 -19.976 -1.279 -5.272 330 HB3 TYR 43 HB3 TYR 43 -19.166 -2.781 -5.694 331 HD1 TYR 43 HD1 TYR 43 -18.576 0.281 -3.622 332 HD2 TYR 43 HD2 TYR 43 -18.086 -3.925 -4.013 333 HE1 TYR 43 HE1 TYR 43 -17.574 0.194 -1.378 334 HE2 TYR 43 HE2 TYR 43 -17.080 -4.025 -1.773 335 HH TYR 43 HH TYR 43 -15.977 -2.611 -0.185 336 H LYS 44 H LYS 44 -16.176 -0.142 -5.122 337 HA LYS 44 HA LYS 44 -14.106 -1.611 -6.432 338 HB2 LYS 44 HB2 LYS 44 -14.094 -0.118 -3.800 339 HB3 LYS 44 HB3 LYS 44 -12.667 -0.736 -4.616 340 HG2 LYS 44 HG2 LYS 44 -13.002 0.780 -6.454 341 HG3 LYS 44 HG3 LYS 44 -14.532 1.329 -5.764 342 HD2 LYS 44 HD2 LYS 44 -12.802 2.944 -5.277 343 HD3 LYS 44 HD3 LYS 44 -13.306 2.152 -3.783 344 HE2 LYS 44 HE2 LYS 44 -11.341 0.590 -4.109 345 HE3 LYS 44 HE3 LYS 44 -10.798 1.684 -5.379 346 HZ1 LYS 44 HZ1 LYS 44 -10.797 3.480 -3.710 347 HZ2 LYS 44 HZ2 LYS 44 -9.719 2.235 -3.328 348 HZ3 LYS 44 HZ3 LYS 44 -11.192 2.350 -2.518 349 H GLU 45 H GLU 45 -14.629 -3.779 -6.282 350 HA GLU 45 HA GLU 45 -15.595 -5.084 -4.015 351 HB2 GLU 45 HB2 GLU 45 -15.634 -5.949 -6.358 352 HB3 GLU 45 HB3 GLU 45 -13.931 -6.323 -6.209 353 HG2 GLU 45 HG2 GLU 45 -14.518 -7.776 -4.303 354 HG3 GLU 45 HG3 GLU 45 -16.213 -7.496 -4.660 355 H ASN 46 H ASN 46 -12.258 -4.655 -5.150 356 HA ASN 46 HA ASN 46 -11.189 -6.177 -2.939 357 HB2 ASN 46 HB2 ASN 46 -9.872 -4.484 -5.069 358 HB3 ASN 46 HB3 ASN 46 -8.972 -5.301 -3.799 359 HD21 ASN 46 HD21 ASN 46 -7.845 -6.509 -5.300 360 HD22 ASN 46 HD22 ASN 46 -8.568 -7.830 -6.152 361 H GLY 47 H GLY 47 -12.040 -2.921 -3.598 362 HA2 GLY 47 HA2 GLY 47 -12.169 -1.100 -2.193 363 HA3 GLY 47 HA3 GLY 47 -11.554 -2.122 -0.891 364 H ASP 48 H ASP 48 -9.129 -2.864 -2.286 365 HA ASP 48 HA ASP 48 -7.675 -0.322 -2.245 366 HB2 ASP 48 HB2 ASP 48 -6.925 -3.013 -1.099 367 HB3 ASP 48 HB3 ASP 48 -5.843 -1.647 -1.212 368 H VAL 49 H VAL 49 -5.648 -0.364 -3.434 369 HA VAL 49 HA VAL 49 -5.326 -2.659 -5.223 370 HB VAL 49 HB VAL 49 -4.261 0.091 -5.779 371 HG11 VAL 49 HG11 VAL 49 -2.968 -1.738 -6.760 372 HG12 VAL 49 HG12 VAL 49 -3.809 -0.815 -8.005 373 HG13 VAL 49 HG13 VAL 49 -4.433 -2.384 -7.494 374 HG21 VAL 49 HG21 VAL 49 -6.715 -1.305 -6.819 375 HG22 VAL 49 HG22 VAL 49 -6.005 0.117 -7.579 376 HG23 VAL 49 HG23 VAL 49 -6.643 0.222 -5.937 377 H HIS 50 H HIS 50 -3.884 -3.936 -4.369 378 HA HIS 50 HA HIS 50 -1.966 -3.030 -2.456 379 HB2 HIS 50 HB2 HIS 50 -3.155 -5.251 -2.419 380 HB3 HIS 50 HB3 HIS 50 -2.166 -5.734 -3.788 381 HD1 HIS 50 HD1 HIS 50 -0.631 -7.432 -2.853 382 HD2 HIS 50 HD2 HIS 50 -0.916 -4.076 -0.417 383 HE1 HIS 50 HE1 HIS 50 1.013 -7.807 -0.988 384 HE2 HIS 50 HE2 HIS 50 0.709 -5.836 0.555 385 H VAL 51 H VAL 51 -0.600 -1.622 -3.502 386 HA VAL 51 HA VAL 51 1.165 -2.833 -5.524 387 HB VAL 51 HB VAL 51 1.757 -0.372 -6.032 388 HG11 VAL 51 HG11 VAL 51 -0.194 -0.115 -7.530 389 HG12 VAL 51 HG12 VAL 51 -0.936 -1.510 -6.740 390 HG13 VAL 51 HG13 VAL 51 0.574 -1.701 -7.635 391 HG21 VAL 51 HG21 VAL 51 -0.069 1.209 -5.624 392 HG22 VAL 51 HG22 VAL 51 0.672 0.640 -4.130 393 HG23 VAL 51 HG23 VAL 51 -0.885 -0.009 -4.643 394 H LEU 52 H LEU 52 3.174 -3.181 -4.930 395 HA LEU 52 HA LEU 52 4.180 -1.815 -2.528 396 HB2 LEU 52 HB2 LEU 52 5.151 -4.430 -3.686 397 HB3 LEU 52 HB3 LEU 52 5.628 -3.713 -2.156 398 HG LEU 52 HG LEU 52 2.927 -4.874 -2.842 399 HD11 LEU 52 HD11 LEU 52 4.672 -6.518 -2.367 400 HD12 LEU 52 HD12 LEU 52 3.447 -6.483 -1.098 401 HD13 LEU 52 HD13 LEU 52 5.012 -5.714 -0.835 402 HD21 LEU 52 HD21 LEU 52 2.294 -4.366 -0.543 403 HD22 LEU 52 HD22 LEU 52 2.653 -2.896 -1.448 404 HD23 LEU 52 HD23 LEU 52 3.829 -3.534 -0.298 405 H THR 53 H THR 53 5.987 -0.619 -2.686 406 HA THR 53 HA THR 53 7.607 -0.768 -5.118 407 HB THR 53 HB THR 53 5.881 0.933 -5.577 408 HG1 THR 53 HG1 THR 53 7.308 2.313 -6.414 409 HG21 THR 53 HG21 THR 53 6.935 2.212 -3.060 410 HG22 THR 53 HG22 THR 53 5.279 1.699 -3.398 411 HG23 THR 53 HG23 THR 53 5.973 3.076 -4.256 412 H ILE 54 H ILE 54 9.534 0.824 -4.858 413 HA ILE 54 HA ILE 54 10.572 0.487 -2.145 414 HB ILE 54 HB ILE 54 11.794 0.465 -4.810 415 HG12 ILE 54 HG12 ILE 54 12.803 -0.505 -2.136 416 HG13 ILE 54 HG13 ILE 54 11.695 -1.406 -3.155 417 HG21 ILE 54 HG21 ILE 54 12.722 2.603 -4.103 418 HG22 ILE 54 HG22 ILE 54 13.967 1.354 -4.122 419 HG23 ILE 54 HG23 ILE 54 13.267 1.878 -2.590 420 HD11 ILE 54 HD11 ILE 54 14.505 -0.601 -3.850 421 HD12 ILE 54 HD12 ILE 54 13.399 -1.462 -4.919 422 HD13 ILE 54 HD13 ILE 54 13.948 -2.220 -3.426 423 H CYS 55 H CYS 55 10.718 2.102 -0.818 424 HA CYS 55 HA CYS 55 10.059 4.787 -1.655 425 HB2 CYS 55 HB2 CYS 55 9.794 5.293 0.673 426 HB3 CYS 55 HB3 CYS 55 9.054 3.724 0.386 427 H GLU 56 H GLU 56 11.354 6.397 0.080 428 HA GLU 56 HA GLU 56 13.776 6.919 -1.199 429 HB2 GLU 56 HB2 GLU 56 12.337 8.533 0.071 430 HB3 GLU 56 HB3 GLU 56 12.950 7.828 1.559 431 HG2 GLU 56 HG2 GLU 56 14.141 9.838 1.113 432 HG3 GLU 56 HG3 GLU 56 15.234 8.475 0.874 433 H ASP 57 H ASP 57 13.201 5.599 2.058 434 HA ASP 57 HA ASP 57 15.797 5.507 2.976 435 HB2 ASP 57 HB2 ASP 57 14.028 5.116 4.510 436 HB3 ASP 57 HB3 ASP 57 13.440 3.733 3.590 437 H CYS 58 H CYS 58 14.090 2.913 1.236 438 HA CYS 58 HA CYS 58 16.301 1.125 1.482 439 HB2 CYS 58 HB2 CYS 58 14.917 -0.210 -0.235 440 HB3 CYS 58 HB3 CYS 58 14.240 0.040 1.372 441 H GLN 59 H GLN 59 14.911 2.913 -1.286 442 HA GLN 59 HA GLN 59 16.622 2.292 -3.282 443 HB2 GLN 59 HB2 GLN 59 14.684 3.788 -3.509 444 HB3 GLN 59 HB3 GLN 59 15.568 5.044 -2.673 445 HG2 GLN 59 HG2 GLN 59 16.591 3.817 -5.216 446 HG3 GLN 59 HG3 GLN 59 15.433 5.130 -5.234 447 HE21 GLN 59 HE21 GLN 59 16.538 6.647 -3.056 448 HE22 GLN 59 HE22 GLN 59 18.046 7.277 -3.591 449 H GLU 60 H GLU 60 17.314 4.359 -0.526 450 HA GLU 60 HA GLU 60 19.648 5.476 -1.630 451 HB2 GLU 60 HB2 GLU 60 18.186 6.162 0.417 452 HB3 GLU 60 HB3 GLU 60 19.272 5.140 1.310 453 HG2 GLU 60 HG2 GLU 60 21.128 6.455 0.517 454 HG3 GLU 60 HG3 GLU 60 20.035 7.519 -0.347 455 H ALA 61 H ALA 61 19.163 2.988 0.832 456 HA ALA 61 HA ALA 61 21.766 1.984 0.998 457 HB1 ALA 61 HB1 ALA 61 19.149 0.492 1.208 458 HB2 ALA 61 HB2 ALA 61 19.941 1.368 2.518 459 HB3 ALA 61 HB3 ALA 61 20.708 -0.060 1.824 460 H LEU 62 H LEU 62 19.248 1.620 -1.253 461 HA LEU 62 HA LEU 62 20.030 -0.671 -2.714 462 HB2 LEU 62 HB2 LEU 62 18.216 1.585 -2.861 463 HB3 LEU 62 HB3 LEU 62 18.751 1.087 -4.438 464 HG LEU 62 HG LEU 62 16.553 0.175 -3.551 465 HD11 LEU 62 HD11 LEU 62 16.885 -1.993 -4.567 466 HD12 LEU 62 HD12 LEU 62 18.631 -1.759 -4.498 467 HD13 LEU 62 HD13 LEU 62 17.635 -0.706 -5.506 468 HD21 LEU 62 HD21 LEU 62 18.412 -1.572 -1.954 469 HD22 LEU 62 HD22 LEU 62 16.682 -1.839 -2.167 470 HD23 LEU 62 HD23 LEU 62 17.256 -0.408 -1.306 471 H ASP 63 H ASP 63 20.186 2.722 -3.625 472 HA ASP 63 HA ASP 63 21.986 2.476 -5.742 473 HB2 ASP 63 HB2 ASP 63 20.757 4.478 -5.621 474 HB3 ASP 63 HB3 ASP 63 21.223 4.781 -3.953 475 H ARG 64 H ARG 64 22.598 3.197 -2.320 476 HA ARG 64 HA ARG 64 24.248 2.510 -0.959 477 HB2 ARG 64 HB2 ARG 64 24.068 0.431 -2.361 478 HB3 ARG 64 HB3 ARG 64 25.412 1.040 -3.318 479 HG2 ARG 64 HG2 ARG 64 26.766 1.108 -1.260 480 HG3 ARG 64 HG3 ARG 64 25.439 0.334 -0.398 481 HD2 ARG 64 HD2 ARG 64 27.070 -1.331 -1.061 482 HD3 ARG 64 HD3 ARG 64 25.563 -1.572 -1.939 483 HE ARG 64 HE ARG 64 27.632 -0.023 -3.281 484 HH11 ARG 64 HH11 ARG 64 25.987 -3.087 -2.901 485 HH12 ARG 64 HH12 ARG 64 26.556 -3.727 -4.406 486 HH21 ARG 64 HH21 ARG 64 28.397 -0.878 -5.275 487 HH22 ARG 64 HH22 ARG 64 27.916 -2.477 -5.754 488 H ASN 65 H ASN 65 24.677 4.676 -3.342 489 HA ASN 65 HA ASN 65 27.554 4.833 -3.243 490 HB2 ASN 65 HB2 ASN 65 26.326 5.404 -5.307 491 HB3 ASN 65 HB3 ASN 65 25.624 6.793 -4.489 492 HD21 ASN 65 HD21 ASN 65 28.503 5.416 -5.832 493 HD22 ASN 65 HD22 ASN 65 29.434 6.874 -5.860 494 HA PRO 66 HA PRO 66 26.659 8.889 -0.764 495 HB2 PRO 66 HB2 PRO 66 24.059 8.448 0.517 496 HB3 PRO 66 HB3 PRO 66 24.638 9.857 -0.374 497 HG2 PRO 66 HG2 PRO 66 22.740 8.215 -1.358 498 HG3 PRO 66 HG3 PRO 66 23.913 9.041 -2.399 499 HD2 PRO 66 HD2 PRO 66 23.893 6.202 -1.445 500 HD3 PRO 66 HD3 PRO 66 24.300 6.849 -3.042 501 H HIS 67 H HIS 67 24.684 6.354 0.778 502 HA HIS 67 HA HIS 67 26.755 5.440 2.448 503 HB2 HIS 67 HB2 HIS 67 26.082 6.228 4.595 504 HB3 HIS 67 HB3 HIS 67 26.183 7.650 3.570 505 HD1 HIS 67 HD1 HIS 67 24.025 6.030 5.939 506 HD2 HIS 67 HD2 HIS 67 23.471 8.450 2.607 507 HE1 HIS 67 HE1 HIS 67 21.692 6.942 6.148 508 HE2 HIS 67 HE2 HIS 67 21.298 8.173 3.984 509 H TYR 68 H TYR 68 26.110 3.623 3.634 510 HA TYR 68 HA TYR 68 23.341 2.772 3.587 511 HB2 TYR 68 HB2 TYR 68 23.679 0.760 2.345 512 HB3 TYR 68 HB3 TYR 68 24.368 2.052 1.374 513 HD1 TYR 68 HD1 TYR 68 24.909 -1.158 2.684 514 HD2 TYR 68 HD2 TYR 68 26.969 2.435 1.719 515 HE1 TYR 68 HE1 TYR 68 27.019 -2.410 2.564 516 HE2 TYR 68 HE2 TYR 68 29.089 1.192 1.598 517 HH TYR 68 HH TYR 68 30.055 -0.906 2.484 518 H HIS 69 H HIS 69 23.239 0.497 4.696 519 HA HIS 69 HA HIS 69 24.825 0.662 7.085 520 HB2 HIS 69 HB2 HIS 69 22.620 -1.139 6.161 521 HB3 HIS 69 HB3 HIS 69 23.624 -1.632 7.522 522 HD1 HIS 69 HD1 HIS 69 21.955 -1.335 9.395 523 HD2 HIS 69 HD2 HIS 69 22.319 2.043 7.000 524 HE1 HIS 69 HE1 HIS 69 20.660 0.471 10.568 525 HE2 HIS 69 HE2 HIS 69 20.745 2.448 9.009 526 H GLU 70 H GLU 70 26.889 0.429 6.424 527 HA GLU 70 HA GLU 70 27.872 -1.640 4.781 528 HB2 GLU 70 HB2 GLU 70 30.109 -0.910 5.698 529 HB3 GLU 70 HB3 GLU 70 29.149 0.348 4.931 530 HG2 GLU 70 HG2 GLU 70 28.469 1.195 7.092 531 HG3 GLU 70 HG3 GLU 70 29.322 -0.116 7.900 532 H TYR 71 H TYR 71 26.967 -1.629 8.049 533 HA TYR 71 HA TYR 71 28.623 -3.960 8.645 534 HB2 TYR 71 HB2 TYR 71 28.362 -2.030 10.269 535 HB3 TYR 71 HB3 TYR 71 26.699 -2.560 10.498 536 HD1 TYR 71 HD1 TYR 71 30.202 -3.732 10.707 537 HD2 TYR 71 HD2 TYR 71 26.206 -4.215 12.064 538 HE1 TYR 71 HE1 TYR 71 30.978 -5.352 12.397 539 HE2 TYR 71 HE2 TYR 71 26.961 -5.833 13.756 540 HH TYR 71 HH TYR 71 30.223 -6.249 14.564 541 H HIS 72 H HIS 72 25.429 -3.081 7.775 542 HA HIS 72 HA HIS 72 24.581 -5.874 7.933 543 HB2 HIS 72 HB2 HIS 72 23.756 -4.666 9.981 544 HB3 HIS 72 HB3 HIS 72 22.857 -3.588 8.920 545 HD1 HIS 72 HD1 HIS 72 20.856 -4.690 7.558 546 HD2 HIS 72 HD2 HIS 72 22.554 -7.074 10.512 547 HE1 HIS 72 HE1 HIS 72 19.206 -6.544 7.971 548 HE2 HIS 72 HE2 HIS 72 20.301 -8.027 9.687 549 H THR 73 H THR 73 24.983 -5.706 5.654 550 HA THR 73 HA THR 73 23.482 -3.754 4.128 551 HB THR 73 HB THR 73 25.253 -5.953 3.056 552 HG1 THR 73 HG1 THR 73 25.869 -3.628 4.452 553 HG21 THR 73 HG21 THR 73 23.843 -4.749 1.422 554 HG22 THR 73 HG22 THR 73 25.560 -4.431 1.177 555 HG23 THR 73 HG23 THR 73 24.544 -3.224 1.965 Start of MODEL 9 1 H1 GLN -1 H1 GLN -1 -8.279 16.082 -1.747 2 H2 GLN -1 H2 GLN -1 -7.218 15.819 -3.033 3 H3 GLN -1 H3 GLN -1 -6.791 16.885 -1.794 4 HA GLN -1 HA GLN -1 -5.618 14.799 -1.565 5 HB2 GLN -1 HB2 GLN -1 -7.764 15.223 0.525 6 HB3 GLN -1 HB3 GLN -1 -6.300 14.278 0.753 7 HG2 GLN -1 HG2 GLN -1 -4.943 16.269 0.440 8 HG3 GLN -1 HG3 GLN -1 -6.397 17.227 0.159 9 HE21 GLN -1 HE21 GLN -1 -4.319 17.453 2.229 10 HE22 GLN -1 HE22 GLN -1 -5.162 17.381 3.737 11 H SER 0 H SER 0 -5.653 12.807 -2.341 12 HA SER 0 HA SER 0 -7.705 10.941 -1.749 13 HB2 SER 0 HB2 SER 0 -8.861 12.282 -3.518 14 HB3 SER 0 HB3 SER 0 -7.571 11.848 -4.639 15 HG SER 0 HG SER 0 -9.630 10.524 -4.525 16 H MET 1 H MET 1 -7.317 8.870 -3.081 17 HA MET 1 HA MET 1 -4.491 8.617 -3.812 18 HB2 MET 1 HB2 MET 1 -4.357 6.505 -2.483 19 HB3 MET 1 HB3 MET 1 -4.506 7.957 -1.510 20 HG2 MET 1 HG2 MET 1 -6.874 7.514 -1.183 21 HG3 MET 1 HG3 MET 1 -6.751 6.078 -2.194 22 HE1 MET 1 HE1 MET 1 -7.930 4.720 -0.155 23 HE2 MET 1 HE2 MET 1 -7.963 6.229 0.756 24 HE3 MET 1 HE3 MET 1 -7.310 4.768 1.495 25 H ALA 2 H ALA 2 -4.020 6.870 -5.124 26 HA ALA 2 HA ALA 2 -6.317 5.906 -6.652 27 HB1 ALA 2 HB1 ALA 2 -4.514 7.108 -7.852 28 HB2 ALA 2 HB2 ALA 2 -4.763 5.465 -8.442 29 HB3 ALA 2 HB3 ALA 2 -3.396 5.826 -7.387 30 H LEU 3 H LEU 3 -3.176 4.679 -5.696 31 HA LEU 3 HA LEU 3 -4.400 2.092 -5.039 32 HB2 LEU 3 HB2 LEU 3 -1.754 2.580 -6.413 33 HB3 LEU 3 HB3 LEU 3 -2.199 1.043 -5.701 34 HG LEU 3 HG LEU 3 -4.188 1.039 -7.288 35 HD11 LEU 3 HD11 LEU 3 -4.161 3.396 -7.858 36 HD12 LEU 3 HD12 LEU 3 -3.967 2.394 -9.298 37 HD13 LEU 3 HD13 LEU 3 -2.570 3.208 -8.595 38 HD21 LEU 3 HD21 LEU 3 -2.226 -0.364 -7.594 39 HD22 LEU 3 HD22 LEU 3 -1.405 0.952 -8.433 40 HD23 LEU 3 HD23 LEU 3 -2.837 0.211 -9.145 41 H HIS 4 H HIS 4 -3.289 0.901 -3.375 42 HA HIS 4 HA HIS 4 -2.118 2.734 -1.417 43 HB2 HIS 4 HB2 HIS 4 -2.926 -0.159 -1.191 44 HB3 HIS 4 HB3 HIS 4 -2.211 0.749 0.115 45 HD1 HIS 4 HD1 HIS 4 -5.382 -0.273 -1.147 46 HD2 HIS 4 HD2 HIS 4 -3.955 3.098 0.817 47 HE1 HIS 4 HE1 HIS 4 -7.409 0.845 -0.177 48 HE2 HIS 4 HE2 HIS 4 -6.489 2.747 1.196 49 H TYR 5 H TYR 5 -0.050 2.915 -1.193 50 HA TYR 5 HA TYR 5 1.732 1.026 -2.552 51 HB2 TYR 5 HB2 TYR 5 1.991 3.888 -1.694 52 HB3 TYR 5 HB3 TYR 5 3.440 2.909 -1.915 53 HD1 TYR 5 HD1 TYR 5 0.537 2.422 -4.133 54 HD2 TYR 5 HD2 TYR 5 4.259 4.394 -3.585 55 HE1 TYR 5 HE1 TYR 5 0.556 3.031 -6.510 56 HE2 TYR 5 HE2 TYR 5 4.306 4.997 -5.952 57 HH TYR 5 HH TYR 5 1.606 4.810 -7.953 58 H TYR 6 H TYR 6 2.586 -0.496 -1.300 59 HA TYR 6 HA TYR 6 3.359 0.293 1.422 60 HB2 TYR 6 HB2 TYR 6 2.380 -2.371 0.417 61 HB3 TYR 6 HB3 TYR 6 3.161 -2.165 1.984 62 HD1 TYR 6 HD1 TYR 6 0.091 -1.871 0.133 63 HD2 TYR 6 HD2 TYR 6 2.104 -0.586 3.656 64 HE1 TYR 6 HE1 TYR 6 -2.059 -1.203 1.116 65 HE2 TYR 6 HE2 TYR 6 -0.047 0.072 4.650 66 HH TYR 6 HH TYR 6 -3.033 -0.856 3.320 67 H CYS 7 H CYS 7 5.424 0.042 2.006 68 HA CYS 7 HA CYS 7 7.170 -0.246 -0.254 69 HB2 CYS 7 HB2 CYS 7 7.105 1.370 1.943 70 HB3 CYS 7 HB3 CYS 7 8.450 0.337 2.297 71 H ARG 8 H ARG 8 8.100 -1.940 -0.841 72 HA ARG 8 HA ARG 8 7.989 -4.443 0.284 73 HB2 ARG 8 HB2 ARG 8 8.495 -4.176 -2.028 74 HB3 ARG 8 HB3 ARG 8 9.916 -3.208 -1.679 75 HG2 ARG 8 HG2 ARG 8 10.320 -5.689 -0.418 76 HG3 ARG 8 HG3 ARG 8 9.694 -6.033 -2.036 77 HD2 ARG 8 HD2 ARG 8 12.108 -5.907 -2.107 78 HD3 ARG 8 HD3 ARG 8 11.421 -4.551 -2.992 79 HE ARG 8 HE ARG 8 11.888 -3.217 -0.931 80 HH11 ARG 8 HH11 ARG 8 13.740 -6.102 -1.646 81 HH12 ARG 8 HH12 ARG 8 15.117 -5.603 -0.718 82 HH21 ARG 8 HH21 ARG 8 13.698 -2.559 0.300 83 HH22 ARG 8 HH22 ARG 8 15.097 -3.577 0.381 84 H HIS 9 H HIS 9 8.719 -4.986 2.244 85 HA HIS 9 HA HIS 9 10.233 -5.690 3.815 86 HB2 HIS 9 HB2 HIS 9 11.452 -6.545 1.821 87 HB3 HIS 9 HB3 HIS 9 12.293 -5.008 1.689 88 HD1 HIS 9 HD1 HIS 9 12.135 -8.117 3.798 89 HD2 HIS 9 HD2 HIS 9 14.482 -4.715 3.375 90 HE1 HIS 9 HE1 HIS 9 14.185 -8.528 5.193 91 HE2 HIS 9 HE2 HIS 9 15.658 -6.532 4.782 92 H CYS 10 H CYS 10 9.356 -2.903 3.542 93 HA CYS 10 HA CYS 10 11.645 -1.548 4.774 94 HB2 CYS 10 HB2 CYS 10 11.565 -0.930 2.484 95 HB3 CYS 10 HB3 CYS 10 9.846 -0.644 2.552 96 H GLY 11 H GLY 11 8.158 -1.958 4.608 97 HA2 GLY 11 HA2 GLY 11 6.772 -1.962 6.460 98 HA3 GLY 11 HA3 GLY 11 8.101 -1.301 7.415 99 H VAL 12 H VAL 12 7.686 0.638 4.727 100 HA VAL 12 HA VAL 12 6.044 2.480 6.301 101 HB VAL 12 HB VAL 12 8.117 3.519 5.943 102 HG11 VAL 12 HG11 VAL 12 9.231 3.667 3.783 103 HG12 VAL 12 HG12 VAL 12 7.930 2.736 3.045 104 HG13 VAL 12 HG13 VAL 12 8.979 1.983 4.247 105 HG21 VAL 12 HG21 VAL 12 6.371 4.484 3.706 106 HG22 VAL 12 HG22 VAL 12 7.673 5.385 4.482 107 HG23 VAL 12 HG23 VAL 12 6.223 4.973 5.396 108 H LYS 13 H LYS 13 4.347 3.561 5.386 109 HA LYS 13 HA LYS 13 3.216 2.283 3.011 110 HB2 LYS 13 HB2 LYS 13 1.893 4.203 4.929 111 HB3 LYS 13 HB3 LYS 13 1.101 3.202 3.719 112 HG2 LYS 13 HG2 LYS 13 1.759 1.194 4.925 113 HG3 LYS 13 HG3 LYS 13 2.588 2.182 6.129 114 HD2 LYS 13 HD2 LYS 13 -0.362 2.313 5.514 115 HD3 LYS 13 HD3 LYS 13 0.351 1.434 6.867 116 HE2 LYS 13 HE2 LYS 13 0.528 4.408 6.386 117 HE3 LYS 13 HE3 LYS 13 -0.501 3.611 7.574 118 HZ1 LYS 13 HZ1 LYS 13 2.469 3.566 7.546 119 HZ2 LYS 13 HZ2 LYS 13 1.489 2.786 8.680 120 HZ3 LYS 13 HZ3 LYS 13 1.503 4.474 8.594 121 H VAL 14 H VAL 14 3.670 3.234 1.169 122 HA VAL 14 HA VAL 14 4.167 6.123 1.121 123 HB VAL 14 HB VAL 14 4.700 5.030 -1.428 124 HG11 VAL 14 HG11 VAL 14 5.835 6.918 -0.332 125 HG12 VAL 14 HG12 VAL 14 6.977 5.717 -0.939 126 HG13 VAL 14 HG13 VAL 14 6.604 5.787 0.783 127 HG21 VAL 14 HG21 VAL 14 4.755 2.808 -0.433 128 HG22 VAL 14 HG22 VAL 14 5.898 3.368 0.789 129 HG23 VAL 14 HG23 VAL 14 6.376 3.311 -0.910 130 H GLY 15 H GLY 15 1.575 4.416 1.017 131 HA2 GLY 15 HA2 GLY 15 0.300 4.818 -1.438 132 HA3 GLY 15 HA3 GLY 15 -0.512 4.678 0.115 133 H SER 16 H SER 16 0.316 6.855 1.464 134 HA SER 16 HA SER 16 0.161 9.104 1.729 135 HB2 SER 16 HB2 SER 16 1.880 9.153 -0.050 136 HB3 SER 16 HB3 SER 16 0.608 9.187 -1.269 137 HG SER 16 HG SER 16 1.717 11.238 -0.084 138 H LEU 17 H LEU 17 -0.985 11.114 0.552 139 HA LEU 17 HA LEU 17 -3.726 10.320 -0.196 140 HB2 LEU 17 HB2 LEU 17 -4.500 12.328 1.040 141 HB3 LEU 17 HB3 LEU 17 -3.782 11.107 2.072 142 HG LEU 17 HG LEU 17 -1.933 13.200 1.127 143 HD11 LEU 17 HD11 LEU 17 -2.721 14.793 2.823 144 HD12 LEU 17 HD12 LEU 17 -4.154 13.794 3.065 145 HD13 LEU 17 HD13 LEU 17 -3.867 14.564 1.505 146 HD21 LEU 17 HD21 LEU 17 -1.247 11.453 2.690 147 HD22 LEU 17 HD22 LEU 17 -2.496 11.971 3.822 148 HD23 LEU 17 HD23 LEU 17 -1.154 13.049 3.437 149 H GLU 18 H GLU 18 -0.933 11.809 -1.017 150 HA GLU 18 HA GLU 18 -2.155 13.775 -2.819 151 HB2 GLU 18 HB2 GLU 18 0.773 13.239 -2.284 152 HB3 GLU 18 HB3 GLU 18 0.095 14.616 -3.140 153 HG2 GLU 18 HG2 GLU 18 -0.466 14.025 -0.250 154 HG3 GLU 18 HG3 GLU 18 0.853 15.055 -0.798 155 H SER 19 H SER 19 -1.453 10.584 -2.853 156 HA SER 19 HA SER 19 0.210 10.212 -5.085 157 HB2 SER 19 HB2 SER 19 -0.799 7.871 -5.050 158 HB3 SER 19 HB3 SER 19 -0.012 8.419 -3.574 159 HG SER 19 HG SER 19 -1.830 7.880 -2.681 160 H SER 20 H SER 20 -3.187 10.796 -4.838 161 HA SER 20 HA SER 20 -4.084 9.750 -7.258 162 HB2 SER 20 HB2 SER 20 -5.860 11.599 -7.051 163 HB3 SER 20 HB3 SER 20 -5.738 10.431 -5.733 164 HG SER 20 HG SER 20 -4.926 11.927 -4.444 165 H MET 21 H MET 21 -2.136 12.581 -6.697 166 HA MET 21 HA MET 21 -2.717 13.524 -9.428 167 HB2 MET 21 HB2 MET 21 -1.789 15.675 -8.784 168 HB3 MET 21 HB3 MET 21 -3.045 15.211 -7.647 169 HG2 MET 21 HG2 MET 21 -1.378 14.548 -6.028 170 HG3 MET 21 HG3 MET 21 -0.090 14.901 -7.179 171 HE1 MET 21 HE1 MET 21 -3.381 17.022 -6.619 172 HE2 MET 21 HE2 MET 21 -2.845 18.146 -5.371 173 HE3 MET 21 HE3 MET 21 -2.993 16.428 -5.004 174 H VAL 22 H VAL 22 -0.479 11.939 -7.502 175 HA VAL 22 HA VAL 22 1.811 12.660 -9.136 176 HB VAL 22 HB VAL 22 1.668 10.845 -6.729 177 HG11 VAL 22 HG11 VAL 22 4.083 11.161 -6.621 178 HG12 VAL 22 HG12 VAL 22 4.023 12.099 -8.114 179 HG13 VAL 22 HG13 VAL 22 3.586 10.391 -8.125 180 HG21 VAL 22 HG21 VAL 22 1.018 13.127 -6.167 181 HG22 VAL 22 HG22 VAL 22 2.503 13.737 -6.899 182 HG23 VAL 22 HG23 VAL 22 2.581 12.717 -5.462 183 H SER 23 H SER 23 -0.412 10.118 -8.591 184 HA SER 23 HA SER 23 0.986 8.416 -10.542 185 HB2 SER 23 HB2 SER 23 0.976 7.450 -8.251 186 HB3 SER 23 HB3 SER 23 -0.783 7.522 -8.261 187 HG SER 23 HG SER 23 0.468 6.182 -10.376 188 H THR 24 H THR 24 -0.057 8.782 -12.376 189 HA THR 24 HA THR 24 -2.982 8.808 -12.428 190 HB THR 24 HB THR 24 -2.521 9.348 -14.927 191 HG1 THR 24 HG1 THR 24 -0.059 10.307 -13.921 192 HG21 THR 24 HG21 THR 24 -1.783 11.324 -12.764 193 HG22 THR 24 HG22 THR 24 -3.414 10.974 -13.341 194 HG23 THR 24 HG23 THR 24 -2.241 11.734 -14.417 195 H ASP 25 H ASP 25 -1.953 6.420 -11.751 196 HA ASP 25 HA ASP 25 -1.710 4.790 -14.160 197 HB2 ASP 25 HB2 ASP 25 -1.120 4.146 -11.260 198 HB3 ASP 25 HB3 ASP 25 -0.946 3.007 -12.590 199 H SER 26 H SER 26 -3.089 4.351 -10.930 200 HA SER 26 HA SER 26 -5.176 3.933 -10.187 201 HB2 SER 26 HB2 SER 26 -6.125 5.594 -11.503 202 HB3 SER 26 HB3 SER 26 -5.792 4.738 -13.004 203 HG SER 26 HG SER 26 -7.547 3.645 -11.074 204 H LEU 27 H LEU 27 -4.653 2.353 -13.344 205 HA LEU 27 HA LEU 27 -6.132 0.020 -12.615 206 HB2 LEU 27 HB2 LEU 27 -4.268 0.691 -14.860 207 HB3 LEU 27 HB3 LEU 27 -4.809 -0.957 -14.618 208 HG LEU 27 HG LEU 27 -7.192 0.047 -14.681 209 HD11 LEU 27 HD11 LEU 27 -6.533 2.378 -14.529 210 HD12 LEU 27 HD12 LEU 27 -7.410 2.056 -16.023 211 HD13 LEU 27 HD13 LEU 27 -5.657 2.239 -16.052 212 HD21 LEU 27 HD21 LEU 27 -5.497 -0.046 -17.165 213 HD22 LEU 27 HD22 LEU 27 -7.256 -0.173 -17.095 214 HD23 LEU 27 HD23 LEU 27 -6.249 -1.427 -16.368 215 H GLY 28 H GLY 28 -5.492 -1.324 -11.074 216 HA2 GLY 28 HA2 GLY 28 -2.684 -1.619 -10.408 217 HA3 GLY 28 HA3 GLY 28 -4.036 -2.383 -9.586 218 H PHE 29 H PHE 29 -2.894 -2.419 -12.941 219 HA PHE 29 HA PHE 29 -2.703 -5.328 -12.805 220 HB2 PHE 29 HB2 PHE 29 -3.929 -3.781 -15.100 221 HB3 PHE 29 HB3 PHE 29 -3.768 -5.528 -14.974 222 HD1 PHE 29 HD1 PHE 29 -5.144 -6.787 -13.386 223 HD2 PHE 29 HD2 PHE 29 -5.719 -2.631 -14.060 224 HE1 PHE 29 HE1 PHE 29 -7.370 -6.926 -12.355 225 HE2 PHE 29 HE2 PHE 29 -7.937 -2.757 -13.032 226 HZ PHE 29 HZ PHE 29 -8.771 -4.915 -12.171 227 H GLN 30 H GLN 30 -1.182 -6.194 -14.173 228 HA GLN 30 HA GLN 30 0.721 -4.238 -15.294 229 HB2 GLN 30 HB2 GLN 30 2.572 -5.742 -14.655 230 HB3 GLN 30 HB3 GLN 30 1.668 -5.171 -13.263 231 HG2 GLN 30 HG2 GLN 30 0.540 -7.288 -13.067 232 HG3 GLN 30 HG3 GLN 30 1.305 -7.876 -14.541 233 HE21 GLN 30 HE21 GLN 30 2.269 -9.627 -13.477 234 HE22 GLN 30 HE22 GLN 30 3.597 -9.419 -12.385 235 H HIS 31 H HIS 31 -0.643 -7.457 -15.510 236 HA HIS 31 HA HIS 31 -0.175 -7.409 -18.392 237 HB2 HIS 31 HB2 HIS 31 1.680 -8.734 -17.341 238 HB3 HIS 31 HB3 HIS 31 0.470 -9.829 -16.684 239 HD1 HIS 31 HD1 HIS 31 2.451 -9.136 -19.683 240 HD2 HIS 31 HD2 HIS 31 -0.935 -11.344 -18.717 241 HE1 HIS 31 HE1 HIS 31 2.080 -10.688 -21.625 242 HE2 HIS 31 HE2 HIS 31 -0.084 -11.865 -21.102 243 H LEU 32 H LEU 32 -2.211 -7.400 -19.086 244 HA LEU 32 HA LEU 32 -4.060 -9.420 -18.136 245 HB2 LEU 32 HB2 LEU 32 -5.748 -7.911 -17.399 246 HB3 LEU 32 HB3 LEU 32 -4.280 -7.476 -16.577 247 HG LEU 32 HG LEU 32 -5.220 -6.000 -19.025 248 HD11 LEU 32 HD11 LEU 32 -6.974 -5.957 -17.285 249 HD12 LEU 32 HD12 LEU 32 -6.255 -4.375 -17.572 250 HD13 LEU 32 HD13 LEU 32 -5.797 -5.308 -16.145 251 HD21 LEU 32 HD21 LEU 32 -3.838 -4.203 -18.085 252 HD22 LEU 32 HD22 LEU 32 -2.894 -5.651 -18.424 253 HD23 LEU 32 HD23 LEU 32 -3.361 -5.269 -16.769 254 H THR 33 H THR 33 -5.958 -9.596 -19.521 255 HA THR 33 HA THR 33 -5.997 -8.095 -21.983 256 HB THR 33 HB THR 33 -5.110 -10.974 -21.967 257 HG1 THR 33 HG1 THR 33 -3.773 -8.787 -22.121 258 HG21 THR 33 HG21 THR 33 -6.140 -9.410 -24.334 259 HG22 THR 33 HG22 THR 33 -6.976 -10.747 -23.539 260 HG23 THR 33 HG23 THR 33 -5.447 -11.034 -24.376 261 H ASN 34 H ASN 34 -7.050 -11.436 -21.317 262 HA ASN 34 HA ASN 34 -9.692 -10.915 -22.248 263 HB2 ASN 34 HB2 ASN 34 -8.609 -13.235 -20.621 264 HB3 ASN 34 HB3 ASN 34 -10.204 -13.187 -21.363 265 HD21 ASN 34 HD21 ASN 34 -7.909 -14.986 -21.775 266 HD22 ASN 34 HD22 ASN 34 -7.581 -14.923 -23.472 267 H GLU 35 H GLU 35 -8.040 -10.841 -19.261 268 HA GLU 35 HA GLU 35 -10.300 -10.573 -17.524 269 HB2 GLU 35 HB2 GLU 35 -7.571 -9.420 -16.985 270 HB3 GLU 35 HB3 GLU 35 -8.719 -10.099 -15.839 271 HG2 GLU 35 HG2 GLU 35 -8.314 -12.316 -16.758 272 HG3 GLU 35 HG3 GLU 35 -7.155 -11.639 -17.888 273 H GLU 36 H GLU 36 -8.089 -8.467 -19.165 274 HA GLU 36 HA GLU 36 -8.761 -5.970 -18.216 275 HB2 GLU 36 HB2 GLU 36 -6.858 -6.443 -19.683 276 HB3 GLU 36 HB3 GLU 36 -7.946 -6.753 -21.019 277 HG2 GLU 36 HG2 GLU 36 -8.703 -4.411 -20.908 278 HG3 GLU 36 HG3 GLU 36 -7.538 -4.119 -19.617 279 H ARG 37 H ARG 37 -10.438 -7.935 -20.583 280 HA ARG 37 HA ARG 37 -12.076 -5.934 -21.679 281 HB2 ARG 37 HB2 ARG 37 -12.608 -8.894 -21.371 282 HB3 ARG 37 HB3 ARG 37 -13.517 -7.805 -22.415 283 HG2 ARG 37 HG2 ARG 37 -11.552 -7.362 -23.737 284 HG3 ARG 37 HG3 ARG 37 -10.563 -8.329 -22.649 285 HD2 ARG 37 HD2 ARG 37 -11.910 -10.311 -23.249 286 HD3 ARG 37 HD3 ARG 37 -12.808 -9.320 -24.397 287 HE ARG 37 HE ARG 37 -10.161 -8.985 -25.056 288 HH11 ARG 37 HH11 ARG 37 -12.404 -11.661 -24.871 289 HH12 ARG 37 HH12 ARG 37 -11.564 -12.613 -26.049 290 HH21 ARG 37 HH21 ARG 37 -9.058 -10.233 -26.618 291 HH22 ARG 37 HH22 ARG 37 -9.661 -11.803 -27.041 292 H ASN 38 H ASN 38 -12.478 -7.969 -18.820 293 HA ASN 38 HA ASN 38 -15.041 -6.803 -18.179 294 HB2 ASN 38 HB2 ASN 38 -14.443 -9.133 -17.516 295 HB3 ASN 38 HB3 ASN 38 -13.233 -8.473 -16.420 296 HD21 ASN 38 HD21 ASN 38 -13.878 -7.552 -14.496 297 HD22 ASN 38 HD22 ASN 38 -15.507 -7.623 -13.918 298 H ASP 39 H ASP 39 -11.700 -6.490 -17.087 299 HA ASP 39 HA ASP 39 -12.306 -4.780 -14.888 300 HB2 ASP 39 HB2 ASP 39 -9.706 -5.494 -16.239 301 HB3 ASP 39 HB3 ASP 39 -9.798 -4.431 -14.840 302 H MET 40 H MET 40 -12.159 -4.136 -18.183 303 HA MET 40 HA MET 40 -10.753 -1.705 -18.264 304 HB2 MET 40 HB2 MET 40 -11.822 -1.320 -20.419 305 HB3 MET 40 HB3 MET 40 -11.301 -2.993 -20.283 306 HG2 MET 40 HG2 MET 40 -13.546 -3.719 -19.859 307 HG3 MET 40 HG3 MET 40 -14.115 -2.053 -19.791 308 HE1 MET 40 HE1 MET 40 -13.904 -0.875 -23.467 309 HE2 MET 40 HE2 MET 40 -12.702 -0.620 -22.205 310 HE3 MET 40 HE3 MET 40 -14.418 -0.496 -21.824 311 H ILE 41 H ILE 41 -13.823 -2.384 -16.950 312 HA ILE 41 HA ILE 41 -14.878 0.288 -17.357 313 HB ILE 41 HB ILE 41 -16.031 -1.889 -15.604 314 HG12 ILE 41 HG12 ILE 41 -16.518 -1.355 -18.545 315 HG13 ILE 41 HG13 ILE 41 -15.678 -2.752 -17.881 316 HG21 ILE 41 HG21 ILE 41 -16.964 0.333 -15.249 317 HG22 ILE 41 HG22 ILE 41 -18.148 -0.726 -16.018 318 HG23 ILE 41 HG23 ILE 41 -17.293 0.483 -16.975 319 HD11 ILE 41 HD11 ILE 41 -17.948 -3.310 -18.527 320 HD12 ILE 41 HD12 ILE 41 -18.575 -2.062 -17.449 321 HD13 ILE 41 HD13 ILE 41 -17.737 -3.464 -16.783 322 H SER 42 H SER 42 -12.431 0.311 -16.044 323 HA SER 42 HA SER 42 -11.328 1.154 -14.251 324 HB2 SER 42 HB2 SER 42 -14.033 2.419 -13.872 325 HB3 SER 42 HB3 SER 42 -12.631 2.823 -12.890 326 HG SER 42 HG SER 42 -13.192 3.426 -15.547 327 H TYR 43 H TYR 43 -12.731 -1.407 -13.936 328 HA TYR 43 HA TYR 43 -13.262 -1.410 -11.056 329 HB2 TYR 43 HB2 TYR 43 -15.026 -2.374 -12.352 330 HB3 TYR 43 HB3 TYR 43 -13.893 -3.348 -13.269 331 HD1 TYR 43 HD1 TYR 43 -13.131 -5.476 -12.412 332 HD2 TYR 43 HD2 TYR 43 -15.562 -2.944 -10.012 333 HE1 TYR 43 HE1 TYR 43 -13.503 -7.330 -10.842 334 HE2 TYR 43 HE2 TYR 43 -15.937 -4.790 -8.433 335 HH TYR 43 HH TYR 43 -14.128 -7.682 -8.513 336 H LYS 44 H LYS 44 -12.131 -2.755 -9.673 337 HA LYS 44 HA LYS 44 -9.635 -3.839 -10.777 338 HB2 LYS 44 HB2 LYS 44 -8.802 -3.604 -8.396 339 HB3 LYS 44 HB3 LYS 44 -9.089 -2.106 -9.267 340 HG2 LYS 44 HG2 LYS 44 -11.332 -2.012 -8.133 341 HG3 LYS 44 HG3 LYS 44 -10.788 -3.350 -7.122 342 HD2 LYS 44 HD2 LYS 44 -8.934 -2.012 -6.308 343 HD3 LYS 44 HD3 LYS 44 -9.397 -0.685 -7.376 344 HE2 LYS 44 HE2 LYS 44 -10.952 -1.783 -5.040 345 HE3 LYS 44 HE3 LYS 44 -10.185 -0.201 -5.162 346 HZ1 LYS 44 HZ1 LYS 44 -12.533 -1.177 -6.688 347 HZ2 LYS 44 HZ2 LYS 44 -11.725 0.267 -7.040 348 HZ3 LYS 44 HZ3 LYS 44 -12.496 0.072 -5.548 349 H GLU 45 H GLU 45 -9.808 -5.948 -11.076 350 HA GLU 45 HA GLU 45 -11.561 -7.731 -9.904 351 HB2 GLU 45 HB2 GLU 45 -10.234 -8.228 -11.900 352 HB3 GLU 45 HB3 GLU 45 -8.774 -8.289 -10.938 353 HG2 GLU 45 HG2 GLU 45 -9.784 -10.166 -9.698 354 HG3 GLU 45 HG3 GLU 45 -11.119 -10.157 -10.836 355 H ASN 46 H ASN 46 -8.565 -6.496 -8.662 356 HA ASN 46 HA ASN 46 -8.068 -8.525 -6.742 357 HB2 ASN 46 HB2 ASN 46 -7.144 -5.644 -6.788 358 HB3 ASN 46 HB3 ASN 46 -6.490 -6.905 -5.751 359 HD21 ASN 46 HD21 ASN 46 -6.622 -8.958 -7.805 360 HD22 ASN 46 HD22 ASN 46 -5.355 -8.604 -8.924 361 H GLY 47 H GLY 47 -10.341 -5.997 -6.859 362 HA2 GLY 47 HA2 GLY 47 -12.040 -5.525 -5.340 363 HA3 GLY 47 HA3 GLY 47 -11.236 -6.567 -4.160 364 H ASP 48 H ASP 48 -8.690 -5.298 -4.313 365 HA ASP 48 HA ASP 48 -9.177 -2.524 -3.542 366 HB2 ASP 48 HB2 ASP 48 -9.247 -3.781 -1.435 367 HB3 ASP 48 HB3 ASP 48 -7.697 -4.522 -1.812 368 H VAL 49 H VAL 49 -7.176 -1.286 -3.466 369 HA VAL 49 HA VAL 49 -5.410 -2.228 -5.590 370 HB VAL 49 HB VAL 49 -4.676 0.270 -5.523 371 HG11 VAL 49 HG11 VAL 49 -5.871 -0.748 -7.377 372 HG12 VAL 49 HG12 VAL 49 -6.506 0.863 -7.053 373 HG13 VAL 49 HG13 VAL 49 -7.397 -0.560 -6.516 374 HG21 VAL 49 HG21 VAL 49 -7.402 0.492 -4.237 375 HG22 VAL 49 HG22 VAL 49 -6.389 1.825 -4.768 376 HG23 VAL 49 HG23 VAL 49 -5.874 0.813 -3.418 377 H HIS 50 H HIS 50 -3.860 -3.411 -4.650 378 HA HIS 50 HA HIS 50 -2.283 -2.180 -2.489 379 HB2 HIS 50 HB2 HIS 50 -3.624 -4.180 -1.792 380 HB3 HIS 50 HB3 HIS 50 -2.736 -5.137 -2.968 381 HD1 HIS 50 HD1 HIS 50 -2.674 -4.063 0.482 382 HD2 HIS 50 HD2 HIS 50 0.142 -5.285 -2.320 383 HE1 HIS 50 HE1 HIS 50 -0.636 -4.704 1.805 384 HE2 HIS 50 HE2 HIS 50 0.953 -5.665 0.104 385 H VAL 51 H VAL 51 -0.362 -1.564 -3.243 386 HA VAL 51 HA VAL 51 1.040 -3.328 -5.130 387 HB VAL 51 HB VAL 51 1.991 -1.206 -6.177 388 HG11 VAL 51 HG11 VAL 51 0.412 -2.618 -7.364 389 HG12 VAL 51 HG12 VAL 51 0.066 -0.913 -7.670 390 HG13 VAL 51 HG13 VAL 51 -0.933 -1.827 -6.537 391 HG21 VAL 51 HG21 VAL 51 1.287 0.395 -4.537 392 HG22 VAL 51 HG22 VAL 51 -0.402 -0.026 -4.816 393 HG23 VAL 51 HG23 VAL 51 0.533 0.755 -6.090 394 H LEU 52 H LEU 52 3.241 -3.445 -4.905 395 HA LEU 52 HA LEU 52 4.328 -2.265 -2.440 396 HB2 LEU 52 HB2 LEU 52 5.328 -4.622 -4.041 397 HB3 LEU 52 HB3 LEU 52 5.998 -4.052 -2.523 398 HG LEU 52 HG LEU 52 3.233 -5.214 -2.888 399 HD11 LEU 52 HD11 LEU 52 5.035 -6.853 -3.140 400 HD12 LEU 52 HD12 LEU 52 4.104 -7.118 -1.667 401 HD13 LEU 52 HD13 LEU 52 5.693 -6.358 -1.580 402 HD21 LEU 52 HD21 LEU 52 3.156 -5.192 -0.437 403 HD22 LEU 52 HD22 LEU 52 3.292 -3.564 -1.102 404 HD23 LEU 52 HD23 LEU 52 4.705 -4.352 -0.402 405 H THR 53 H THR 53 6.149 -1.008 -2.484 406 HA THR 53 HA THR 53 7.612 -0.682 -4.979 407 HB THR 53 HB THR 53 5.673 0.874 -5.131 408 HG1 THR 53 HG1 THR 53 7.194 1.793 -6.290 409 HG21 THR 53 HG21 THR 53 5.349 1.398 -2.797 410 HG22 THR 53 HG22 THR 53 5.681 2.885 -3.687 411 HG23 THR 53 HG23 THR 53 6.946 2.141 -2.708 412 H ILE 54 H ILE 54 9.091 1.518 -4.427 413 HA ILE 54 HA ILE 54 10.314 1.038 -1.803 414 HB ILE 54 HB ILE 54 11.543 0.636 -4.459 415 HG12 ILE 54 HG12 ILE 54 12.275 -0.357 -1.699 416 HG13 ILE 54 HG13 ILE 54 11.156 -1.145 -2.785 417 HG21 ILE 54 HG21 ILE 54 12.720 2.666 -3.805 418 HG22 ILE 54 HG22 ILE 54 13.789 1.264 -3.761 419 HG23 ILE 54 HG23 ILE 54 13.143 1.928 -2.260 420 HD11 ILE 54 HD11 ILE 54 12.943 -1.523 -4.385 421 HD12 ILE 54 HD12 ILE 54 13.341 -2.207 -2.808 422 HD13 ILE 54 HD13 ILE 54 14.074 -0.685 -3.320 423 H CYS 55 H CYS 55 10.126 2.869 -0.749 424 HA CYS 55 HA CYS 55 10.039 5.451 -1.924 425 HB2 CYS 55 HB2 CYS 55 9.971 6.306 0.334 426 HB3 CYS 55 HB3 CYS 55 8.957 4.870 0.253 427 H GLU 56 H GLU 56 11.558 7.145 -0.583 428 HA GLU 56 HA GLU 56 14.003 7.031 -1.918 429 HB2 GLU 56 HB2 GLU 56 13.168 8.687 0.464 430 HB3 GLU 56 HB3 GLU 56 14.639 8.949 -0.452 431 HG2 GLU 56 HG2 GLU 56 12.966 10.524 -1.138 432 HG3 GLU 56 HG3 GLU 56 13.291 9.400 -2.455 433 H ASP 57 H ASP 57 13.207 6.328 1.463 434 HA ASP 57 HA ASP 57 15.813 6.165 2.448 435 HB2 ASP 57 HB2 ASP 57 13.970 6.346 3.970 436 HB3 ASP 57 HB3 ASP 57 13.280 4.828 3.400 437 H CYS 58 H CYS 58 13.732 3.502 1.276 438 HA CYS 58 HA CYS 58 15.780 1.552 1.757 439 HB2 CYS 58 HB2 CYS 58 14.228 0.039 0.428 440 HB3 CYS 58 HB3 CYS 58 13.560 0.738 1.898 441 H GLN 59 H GLN 59 14.504 3.206 -1.095 442 HA GLN 59 HA GLN 59 16.129 2.236 -3.079 443 HB2 GLN 59 HB2 GLN 59 14.405 3.887 -3.520 444 HB3 GLN 59 HB3 GLN 59 15.261 5.090 -2.573 445 HG2 GLN 59 HG2 GLN 59 16.799 3.967 -4.797 446 HG3 GLN 59 HG3 GLN 59 15.368 4.868 -5.272 447 HE21 GLN 59 HE21 GLN 59 18.525 5.035 -3.895 448 HE22 GLN 59 HE22 GLN 59 18.644 6.761 -3.871 449 H GLU 60 H GLU 60 16.978 4.405 -0.456 450 HA GLU 60 HA GLU 60 19.443 5.248 -1.523 451 HB2 GLU 60 HB2 GLU 60 17.941 5.493 0.978 452 HB3 GLU 60 HB3 GLU 60 19.668 5.518 1.174 453 HG2 GLU 60 HG2 GLU 60 18.463 7.226 -0.881 454 HG3 GLU 60 HG3 GLU 60 18.325 7.717 0.800 455 H ALA 61 H ALA 61 18.564 2.724 0.790 456 HA ALA 61 HA ALA 61 21.212 1.848 1.329 457 HB1 ALA 61 HB1 ALA 61 18.628 0.290 1.519 458 HB2 ALA 61 HB2 ALA 61 19.291 1.319 2.789 459 HB3 ALA 61 HB3 ALA 61 20.162 -0.127 2.282 460 H LEU 62 H LEU 62 18.828 1.243 -1.034 461 HA LEU 62 HA LEU 62 19.881 -1.031 -2.299 462 HB2 LEU 62 HB2 LEU 62 17.688 0.716 -2.467 463 HB3 LEU 62 HB3 LEU 62 18.445 0.736 -4.047 464 HG LEU 62 HG LEU 62 18.413 -1.834 -3.735 465 HD11 LEU 62 HD11 LEU 62 16.208 -0.963 -1.894 466 HD12 LEU 62 HD12 LEU 62 17.647 -1.887 -1.460 467 HD13 LEU 62 HD13 LEU 62 16.418 -2.603 -2.505 468 HD21 LEU 62 HD21 LEU 62 17.251 -0.702 -5.520 469 HD22 LEU 62 HD22 LEU 62 15.963 -0.229 -4.413 470 HD23 LEU 62 HD23 LEU 62 16.194 -1.929 -4.821 471 H ASP 63 H ASP 63 19.846 2.337 -3.285 472 HA ASP 63 HA ASP 63 21.447 2.120 -5.552 473 HB2 ASP 63 HB2 ASP 63 19.950 4.012 -5.040 474 HB3 ASP 63 HB3 ASP 63 21.049 4.531 -3.773 475 H ARG 64 H ARG 64 22.354 2.728 -2.209 476 HA ARG 64 HA ARG 64 24.299 2.371 -1.113 477 HB2 ARG 64 HB2 ARG 64 24.416 0.300 -2.444 478 HB3 ARG 64 HB3 ARG 64 25.260 1.175 -3.715 479 HG2 ARG 64 HG2 ARG 64 26.968 1.757 -1.905 480 HG3 ARG 64 HG3 ARG 64 26.221 0.459 -0.975 481 HD2 ARG 64 HD2 ARG 64 28.104 -0.444 -2.156 482 HD3 ARG 64 HD3 ARG 64 26.630 -1.072 -2.893 483 HE ARG 64 HE ARG 64 27.630 1.311 -4.156 484 HH11 ARG 64 HH11 ARG 64 27.875 -2.182 -4.046 485 HH12 ARG 64 HH12 ARG 64 28.441 -2.320 -5.678 486 HH21 ARG 64 HH21 ARG 64 28.384 1.140 -6.288 487 HH22 ARG 64 HH22 ARG 64 28.747 -0.419 -6.956 488 H ASN 65 H ASN 65 25.030 4.361 -0.686 489 HA ASN 65 HA ASN 65 27.320 5.254 -2.150 490 HB2 ASN 65 HB2 ASN 65 25.657 6.365 -3.495 491 HB3 ASN 65 HB3 ASN 65 24.867 7.022 -2.072 492 HD21 ASN 65 HD21 ASN 65 27.579 7.260 -4.217 493 HD22 ASN 65 HD22 ASN 65 28.138 8.805 -3.671 494 HA PRO 66 HA PRO 66 27.129 7.652 1.999 495 HB2 PRO 66 HB2 PRO 66 24.925 7.503 3.554 496 HB3 PRO 66 HB3 PRO 66 25.116 8.738 2.302 497 HG2 PRO 66 HG2 PRO 66 23.626 6.136 2.177 498 HG3 PRO 66 HG3 PRO 66 23.097 7.746 1.653 499 HD2 PRO 66 HD2 PRO 66 24.036 5.932 -0.090 500 HD3 PRO 66 HD3 PRO 66 24.352 7.667 -0.280 501 H HIS 67 H HIS 67 25.395 4.603 1.794 502 HA HIS 67 HA HIS 67 27.173 3.376 3.663 503 HB2 HIS 67 HB2 HIS 67 25.440 2.603 5.217 504 HB3 HIS 67 HB3 HIS 67 25.534 4.355 5.208 505 HD1 HIS 67 HD1 HIS 67 23.236 1.531 4.494 506 HD2 HIS 67 HD2 HIS 67 23.298 5.665 4.080 507 HE1 HIS 67 HE1 HIS 67 20.861 2.201 4.023 508 HE2 HIS 67 HE2 HIS 67 20.899 4.716 3.977 509 H TYR 68 H TYR 68 25.767 1.107 4.164 510 HA TYR 68 HA TYR 68 25.362 -0.955 3.345 511 HB2 TYR 68 HB2 TYR 68 23.427 0.097 2.183 512 HB3 TYR 68 HB3 TYR 68 24.465 0.402 0.793 513 HD1 TYR 68 HD1 TYR 68 24.640 -1.214 -0.890 514 HD2 TYR 68 HD2 TYR 68 23.226 -2.367 2.951 515 HE1 TYR 68 HE1 TYR 68 24.124 -3.456 -1.760 516 HE2 TYR 68 HE2 TYR 68 22.707 -4.610 2.094 517 HH TYR 68 HH TYR 68 22.219 -5.698 -0.041 518 H HIS 69 H HIS 69 27.070 -2.154 3.040 519 HA HIS 69 HA HIS 69 29.105 -2.887 2.333 520 HB2 HIS 69 HB2 HIS 69 27.527 -3.321 0.315 521 HB3 HIS 69 HB3 HIS 69 28.351 -1.959 -0.434 522 HD1 HIS 69 HD1 HIS 69 30.960 -2.287 -0.882 523 HD2 HIS 69 HD2 HIS 69 28.879 -5.704 0.238 524 HE1 HIS 69 HE1 HIS 69 32.445 -4.218 -1.502 525 HE2 HIS 69 HE2 HIS 69 31.211 -6.267 -0.726 526 H GLU 70 H GLU 70 29.564 -0.756 3.573 527 HA GLU 70 HA GLU 70 30.110 1.632 2.209 528 HB2 GLU 70 HB2 GLU 70 31.111 0.677 4.898 529 HB3 GLU 70 HB3 GLU 70 31.211 2.332 4.314 530 HG2 GLU 70 HG2 GLU 70 28.802 2.487 4.265 531 HG3 GLU 70 HG3 GLU 70 28.660 0.798 4.750 532 H TYR 71 H TYR 71 32.656 -0.003 4.028 533 HA TYR 71 HA TYR 71 34.547 0.712 1.931 534 HB2 TYR 71 HB2 TYR 71 36.257 0.032 3.678 535 HB3 TYR 71 HB3 TYR 71 35.259 1.418 4.093 536 HD1 TYR 71 HD1 TYR 71 36.320 -1.871 5.065 537 HD2 TYR 71 HD2 TYR 71 33.313 1.068 5.683 538 HE1 TYR 71 HE1 TYR 71 35.684 -2.966 7.172 539 HE2 TYR 71 HE2 TYR 71 32.670 -0.023 7.787 540 HH TYR 71 HH TYR 71 34.549 -2.261 9.353 541 H HIS 72 H HIS 72 33.235 -2.033 3.627 542 HA HIS 72 HA HIS 72 33.928 -3.792 1.445 543 HB2 HIS 72 HB2 HIS 72 35.015 -4.213 4.235 544 HB3 HIS 72 HB3 HIS 72 34.809 -5.542 3.104 545 HD1 HIS 72 HD1 HIS 72 37.386 -3.575 4.333 546 HD2 HIS 72 HD2 HIS 72 36.241 -4.624 0.479 547 HE1 HIS 72 HE1 HIS 72 39.427 -3.244 2.908 548 HE2 HIS 72 HE2 HIS 72 38.663 -3.733 0.558 549 H THR 73 H THR 73 32.753 -3.648 4.778 550 HA THR 73 HA THR 73 30.653 -5.550 4.189 551 HB THR 73 HB THR 73 30.127 -4.988 6.697 552 HG1 THR 73 HG1 THR 73 31.459 -3.512 7.437 553 HG21 THR 73 HG21 THR 73 30.992 -7.132 5.895 554 HG22 THR 73 HG22 THR 73 31.779 -6.662 7.399 555 HG23 THR 73 HG23 THR 73 32.624 -6.470 5.862 Start of MODEL 10 1 H1 GLN -1 H1 GLN -1 -12.195 10.509 -4.170 2 H2 GLN -1 H2 GLN -1 -11.372 9.148 -4.747 3 H3 GLN -1 H3 GLN -1 -10.510 10.532 -4.302 4 HA GLN -1 HA GLN -1 -11.192 10.267 -2.016 5 HB2 GLN -1 HB2 GLN -1 -12.466 7.731 -3.062 6 HB3 GLN -1 HB3 GLN -1 -12.277 8.129 -1.360 7 HG2 GLN -1 HG2 GLN -1 -13.712 10.066 -1.631 8 HG3 GLN -1 HG3 GLN -1 -13.866 9.728 -3.354 9 HE21 GLN -1 HE21 GLN -1 -14.765 8.740 -0.149 10 HE22 GLN -1 HE22 GLN -1 -16.054 7.687 -0.619 11 H SER 0 H SER 0 -9.346 9.868 -1.058 12 HA SER 0 HA SER 0 -7.310 9.041 -0.536 13 HB2 SER 0 HB2 SER 0 -8.573 6.947 -0.120 14 HB3 SER 0 HB3 SER 0 -8.325 6.478 -1.799 15 HG SER 0 HG SER 0 -6.510 5.666 -1.168 16 H MET 1 H MET 1 -5.381 7.667 -1.709 17 HA MET 1 HA MET 1 -4.855 9.179 -4.111 18 HB2 MET 1 HB2 MET 1 -3.206 7.115 -2.646 19 HB3 MET 1 HB3 MET 1 -2.653 8.001 -4.060 20 HG2 MET 1 HG2 MET 1 -3.396 9.160 -1.384 21 HG3 MET 1 HG3 MET 1 -1.774 9.011 -2.060 22 HE1 MET 1 HE1 MET 1 -2.892 11.708 -0.873 23 HE2 MET 1 HE2 MET 1 -2.392 12.877 -2.096 24 HE3 MET 1 HE3 MET 1 -1.293 11.589 -1.606 25 H ALA 2 H ALA 2 -3.708 7.826 -5.946 26 HA ALA 2 HA ALA 2 -5.681 6.375 -7.240 27 HB1 ALA 2 HB1 ALA 2 -4.004 5.782 -8.873 28 HB2 ALA 2 HB2 ALA 2 -2.720 6.190 -7.736 29 HB3 ALA 2 HB3 ALA 2 -3.775 7.456 -8.366 30 H LEU 3 H LEU 3 -2.696 5.077 -5.908 31 HA LEU 3 HA LEU 3 -4.128 2.621 -5.150 32 HB2 LEU 3 HB2 LEU 3 -1.443 2.782 -6.520 33 HB3 LEU 3 HB3 LEU 3 -2.031 1.350 -5.726 34 HG LEU 3 HG LEU 3 -4.045 1.565 -7.347 35 HD11 LEU 3 HD11 LEU 3 -3.447 3.766 -8.135 36 HD12 LEU 3 HD12 LEU 3 -3.461 2.598 -9.457 37 HD13 LEU 3 HD13 LEU 3 -1.929 3.135 -8.764 38 HD21 LEU 3 HD21 LEU 3 -1.302 0.717 -8.255 39 HD22 LEU 3 HD22 LEU 3 -2.814 0.277 -9.047 40 HD23 LEU 3 HD23 LEU 3 -2.484 -0.279 -7.406 41 H HIS 4 H HIS 4 -3.175 1.499 -3.364 42 HA HIS 4 HA HIS 4 -1.816 3.327 -1.544 43 HB2 HIS 4 HB2 HIS 4 -2.967 0.575 -1.119 44 HB3 HIS 4 HB3 HIS 4 -2.117 1.468 0.124 45 HD1 HIS 4 HD1 HIS 4 -5.415 0.739 -0.898 46 HD2 HIS 4 HD2 HIS 4 -3.499 4.147 0.502 47 HE1 HIS 4 HE1 HIS 4 -7.245 2.238 -0.048 48 HE2 HIS 4 HE2 HIS 4 -6.037 4.196 0.984 49 H TYR 5 H TYR 5 0.249 3.295 -1.261 50 HA TYR 5 HA TYR 5 1.834 1.130 -2.446 51 HB2 TYR 5 HB2 TYR 5 2.528 3.950 -1.634 52 HB3 TYR 5 HB3 TYR 5 3.760 2.750 -2.010 53 HD1 TYR 5 HD1 TYR 5 0.952 2.226 -4.105 54 HD2 TYR 5 HD2 TYR 5 4.343 4.716 -3.559 55 HE1 TYR 5 HE1 TYR 5 0.859 2.853 -6.475 56 HE2 TYR 5 HE2 TYR 5 4.276 5.351 -5.913 57 HH TYR 5 HH TYR 5 3.408 4.494 -8.046 58 H TYR 6 H TYR 6 2.711 -0.343 -1.176 59 HA TYR 6 HA TYR 6 3.498 0.467 1.540 60 HB2 TYR 6 HB2 TYR 6 2.387 -2.222 0.700 61 HB3 TYR 6 HB3 TYR 6 3.008 -1.829 2.303 62 HD1 TYR 6 HD1 TYR 6 1.834 -0.101 3.690 63 HD2 TYR 6 HD2 TYR 6 0.180 -1.601 0.056 64 HE1 TYR 6 HE1 TYR 6 -0.390 0.734 4.342 65 HE2 TYR 6 HE2 TYR 6 -2.031 -0.761 0.708 66 HH TYR 6 HH TYR 6 -2.468 1.368 3.379 67 H CYS 7 H CYS 7 5.547 -0.147 2.170 68 HA CYS 7 HA CYS 7 7.187 -0.435 -0.164 69 HB2 CYS 7 HB2 CYS 7 7.652 1.312 1.481 70 HB3 CYS 7 HB3 CYS 7 8.076 0.088 2.657 71 H ARG 8 H ARG 8 8.651 -1.836 -0.646 72 HA ARG 8 HA ARG 8 8.642 -4.458 0.385 73 HB2 ARG 8 HB2 ARG 8 9.363 -3.797 -1.922 74 HB3 ARG 8 HB3 ARG 8 10.795 -3.059 -1.223 75 HG2 ARG 8 HG2 ARG 8 11.451 -5.274 -0.333 76 HG3 ARG 8 HG3 ARG 8 10.064 -5.978 -1.175 77 HD2 ARG 8 HD2 ARG 8 11.786 -6.326 -2.681 78 HD3 ARG 8 HD3 ARG 8 11.069 -4.832 -3.268 79 HE ARG 8 HE ARG 8 13.050 -4.003 -1.586 80 HH11 ARG 8 HH11 ARG 8 12.883 -6.032 -4.422 81 HH12 ARG 8 HH12 ARG 8 14.537 -5.777 -4.870 82 HH21 ARG 8 HH21 ARG 8 15.246 -3.668 -2.160 83 HH22 ARG 8 HH22 ARG 8 15.889 -4.438 -3.576 84 H HIS 9 H HIS 9 9.352 -4.974 2.316 85 HA HIS 9 HA HIS 9 11.120 -5.761 3.587 86 HB2 HIS 9 HB2 HIS 9 12.786 -5.113 1.933 87 HB3 HIS 9 HB3 HIS 9 12.698 -3.441 2.462 88 HD1 HIS 9 HD1 HIS 9 14.154 -6.754 3.367 89 HD2 HIS 9 HD2 HIS 9 14.105 -2.866 4.831 90 HE1 HIS 9 HE1 HIS 9 16.003 -6.650 5.065 91 HE2 HIS 9 HE2 HIS 9 16.086 -4.236 5.773 92 H CYS 10 H CYS 10 10.626 -2.211 3.581 93 HA CYS 10 HA CYS 10 10.987 -2.310 6.483 94 HB2 CYS 10 HB2 CYS 10 11.383 -0.006 6.473 95 HB3 CYS 10 HB3 CYS 10 12.118 -0.551 4.971 96 H GLY 11 H GLY 11 8.536 -1.968 4.080 97 HA2 GLY 11 HA2 GLY 11 6.278 -2.341 4.341 98 HA3 GLY 11 HA3 GLY 11 6.534 -2.414 6.090 99 H VAL 12 H VAL 12 7.700 0.438 4.527 100 HA VAL 12 HA VAL 12 5.820 2.027 5.949 101 HB VAL 12 HB VAL 12 8.038 2.915 5.695 102 HG11 VAL 12 HG11 VAL 12 7.510 2.934 2.731 103 HG12 VAL 12 HG12 VAL 12 8.644 1.872 3.567 104 HG13 VAL 12 HG13 VAL 12 8.927 3.612 3.530 105 HG21 VAL 12 HG21 VAL 12 7.560 5.109 4.851 106 HG22 VAL 12 HG22 VAL 12 6.174 4.493 5.756 107 HG23 VAL 12 HG23 VAL 12 6.157 4.481 3.991 108 H LYS 13 H LYS 13 4.216 3.295 5.185 109 HA LYS 13 HA LYS 13 2.999 2.421 2.700 110 HB2 LYS 13 HB2 LYS 13 2.006 4.485 4.664 111 HB3 LYS 13 HB3 LYS 13 1.064 3.678 3.424 112 HG2 LYS 13 HG2 LYS 13 1.393 1.552 4.591 113 HG3 LYS 13 HG3 LYS 13 2.298 2.392 5.847 114 HD2 LYS 13 HD2 LYS 13 0.323 3.736 6.367 115 HD3 LYS 13 HD3 LYS 13 -0.581 2.896 5.106 116 HE2 LYS 13 HE2 LYS 13 -0.271 0.782 6.297 117 HE3 LYS 13 HE3 LYS 13 0.630 1.623 7.555 118 HZ1 LYS 13 HZ1 LYS 13 -1.346 2.914 8.060 119 HZ2 LYS 13 HZ2 LYS 13 -1.664 1.261 8.200 120 HZ3 LYS 13 HZ3 LYS 13 -2.212 2.112 6.844 121 H VAL 14 H VAL 14 4.103 3.264 1.015 122 HA VAL 14 HA VAL 14 5.291 5.879 1.110 123 HB VAL 14 HB VAL 14 5.101 4.762 -1.572 124 HG11 VAL 14 HG11 VAL 14 7.385 5.502 0.236 125 HG12 VAL 14 HG12 VAL 14 6.679 6.467 -1.062 126 HG13 VAL 14 HG13 VAL 14 7.568 4.992 -1.441 127 HG21 VAL 14 HG21 VAL 14 6.374 3.032 0.540 128 HG22 VAL 14 HG22 VAL 14 6.634 2.868 -1.198 129 HG23 VAL 14 HG23 VAL 14 5.030 2.605 -0.523 130 H GLY 15 H GLY 15 2.291 4.582 0.083 131 HA2 GLY 15 HA2 GLY 15 1.586 7.177 -1.102 132 HA3 GLY 15 HA3 GLY 15 1.274 5.703 -2.008 133 H SER 16 H SER 16 0.363 7.675 0.668 134 HA SER 16 HA SER 16 -1.609 7.969 1.733 135 HB2 SER 16 HB2 SER 16 -2.725 7.512 -0.417 136 HB3 SER 16 HB3 SER 16 -2.693 5.788 -0.061 137 HG SER 16 HG SER 16 -4.038 7.793 1.438 138 H LEU 17 H LEU 17 -2.167 7.350 3.703 139 HA LEU 17 HA LEU 17 -1.390 4.639 4.532 140 HB2 LEU 17 HB2 LEU 17 -1.105 5.586 6.768 141 HB3 LEU 17 HB3 LEU 17 -0.108 6.406 5.584 142 HG LEU 17 HG LEU 17 -2.349 7.974 5.594 143 HD11 LEU 17 HD11 LEU 17 -3.311 6.746 7.467 144 HD12 LEU 17 HD12 LEU 17 -2.922 8.404 7.918 145 HD13 LEU 17 HD13 LEU 17 -1.874 7.082 8.433 146 HD21 LEU 17 HD21 LEU 17 -0.986 9.533 6.924 147 HD22 LEU 17 HD22 LEU 17 -0.084 8.782 5.610 148 HD23 LEU 17 HD23 LEU 17 0.140 8.222 7.266 149 H GLU 18 H GLU 18 -3.974 6.512 3.832 150 HA GLU 18 HA GLU 18 -5.728 5.765 5.979 151 HB2 GLU 18 HB2 GLU 18 -6.288 7.119 3.342 152 HB3 GLU 18 HB3 GLU 18 -7.449 6.938 4.650 153 HG2 GLU 18 HG2 GLU 18 -6.068 8.295 6.099 154 HG3 GLU 18 HG3 GLU 18 -4.846 8.430 4.839 155 H SER 19 H SER 19 -7.351 4.298 5.976 156 HA SER 19 HA SER 19 -8.722 2.602 5.366 157 HB2 SER 19 HB2 SER 19 -8.085 3.446 2.544 158 HB3 SER 19 HB3 SER 19 -9.464 2.468 3.047 159 HG SER 19 HG SER 19 -9.554 4.641 4.516 160 H SER 20 H SER 20 -6.030 1.989 5.886 161 HA SER 20 HA SER 20 -4.986 0.176 3.940 162 HB2 SER 20 HB2 SER 20 -4.314 0.351 6.885 163 HB3 SER 20 HB3 SER 20 -3.329 -0.391 5.624 164 HG SER 20 HG SER 20 -4.060 2.241 5.174 165 H MET 21 H MET 21 -6.303 -0.455 7.211 166 HA MET 21 HA MET 21 -7.200 -3.089 6.229 167 HB2 MET 21 HB2 MET 21 -6.767 -4.027 8.423 168 HB3 MET 21 HB3 MET 21 -5.307 -3.282 7.797 169 HG2 MET 21 HG2 MET 21 -5.524 -1.418 9.245 170 HG3 MET 21 HG3 MET 21 -7.149 -1.904 9.724 171 HE1 MET 21 HE1 MET 21 -3.343 -2.819 9.843 172 HE2 MET 21 HE2 MET 21 -4.054 -4.342 9.309 173 HE3 MET 21 HE3 MET 21 -3.333 -4.220 10.913 174 H VAL 22 H VAL 22 -8.258 -0.237 6.825 175 HA VAL 22 HA VAL 22 -10.196 -0.353 8.810 176 HB VAL 22 HB VAL 22 -10.316 1.223 6.244 177 HG11 VAL 22 HG11 VAL 22 -12.472 1.115 7.372 178 HG12 VAL 22 HG12 VAL 22 -11.785 2.735 7.472 179 HG13 VAL 22 HG13 VAL 22 -11.723 1.664 8.871 180 HG21 VAL 22 HG21 VAL 22 -8.265 1.669 7.473 181 HG22 VAL 22 HG22 VAL 22 -9.196 1.981 8.939 182 HG23 VAL 22 HG23 VAL 22 -9.351 3.056 7.549 183 H SER 23 H SER 23 -10.397 -1.153 5.434 184 HA SER 23 HA SER 23 -13.141 -2.099 5.811 185 HB2 SER 23 HB2 SER 23 -11.641 -1.454 3.269 186 HB3 SER 23 HB3 SER 23 -13.310 -2.009 3.364 187 HG SER 23 HG SER 23 -12.721 0.413 3.289 188 H THR 24 H THR 24 -11.396 -3.762 6.899 189 HA THR 24 HA THR 24 -10.537 -5.791 5.033 190 HB THR 24 HB THR 24 -9.165 -5.285 7.018 191 HG1 THR 24 HG1 THR 24 -10.267 -7.919 6.914 192 HG21 THR 24 HG21 THR 24 -10.942 -4.773 8.611 193 HG22 THR 24 HG22 THR 24 -9.889 -6.040 9.240 194 HG23 THR 24 HG23 THR 24 -11.470 -6.455 8.581 195 H ASP 25 H ASP 25 -13.287 -5.115 6.953 196 HA ASP 25 HA ASP 25 -14.260 -7.877 6.817 197 HB2 ASP 25 HB2 ASP 25 -14.508 -6.911 8.989 198 HB3 ASP 25 HB3 ASP 25 -15.177 -5.428 8.329 199 H SER 26 H SER 26 -14.786 -4.657 5.694 200 HA SER 26 HA SER 26 -17.175 -5.387 4.204 201 HB2 SER 26 HB2 SER 26 -17.010 -3.258 5.537 202 HB3 SER 26 HB3 SER 26 -15.772 -2.713 4.411 203 HG SER 26 HG SER 26 -18.102 -2.095 4.049 204 H LEU 27 H LEU 27 -16.805 -3.566 2.079 205 HA LEU 27 HA LEU 27 -14.921 -5.071 0.433 206 HB2 LEU 27 HB2 LEU 27 -17.070 -3.076 -0.260 207 HB3 LEU 27 HB3 LEU 27 -15.995 -3.791 -1.443 208 HG LEU 27 HG LEU 27 -16.917 -6.050 -0.459 209 HD11 LEU 27 HD11 LEU 27 -19.149 -4.128 0.171 210 HD12 LEU 27 HD12 LEU 27 -18.208 -5.052 1.341 211 HD13 LEU 27 HD13 LEU 27 -19.261 -5.887 0.199 212 HD21 LEU 27 HD21 LEU 27 -18.548 -4.313 -2.298 213 HD22 LEU 27 HD22 LEU 27 -18.600 -6.073 -2.196 214 HD23 LEU 27 HD23 LEU 27 -17.139 -5.265 -2.766 215 H GLY 28 H GLY 28 -13.956 -3.482 -1.390 216 HA2 GLY 28 HA2 GLY 28 -12.033 -1.952 0.083 217 HA3 GLY 28 HA3 GLY 28 -12.060 -2.194 -1.656 218 H PHE 29 H PHE 29 -13.744 -0.435 0.922 219 HA PHE 29 HA PHE 29 -13.660 1.965 -0.757 220 HB2 PHE 29 HB2 PHE 29 -16.085 1.107 0.851 221 HB3 PHE 29 HB3 PHE 29 -15.936 2.581 -0.094 222 HD1 PHE 29 HD1 PHE 29 -15.876 2.484 -2.552 223 HD2 PHE 29 HD2 PHE 29 -16.644 -0.948 -0.162 224 HE1 PHE 29 HE1 PHE 29 -16.806 1.327 -4.514 225 HE2 PHE 29 HE2 PHE 29 -17.580 -2.103 -2.108 226 HZ PHE 29 HZ PHE 29 -17.654 -0.973 -4.298 227 H GLN 30 H GLN 30 -15.008 3.589 1.231 228 HA GLN 30 HA GLN 30 -13.094 3.351 3.467 229 HB2 GLN 30 HB2 GLN 30 -14.151 5.970 2.384 230 HB3 GLN 30 HB3 GLN 30 -12.879 5.733 3.568 231 HG2 GLN 30 HG2 GLN 30 -11.591 4.587 1.749 232 HG3 GLN 30 HG3 GLN 30 -12.792 5.204 0.626 233 HE21 GLN 30 HE21 GLN 30 -10.180 6.011 2.760 234 HE22 GLN 30 HE22 GLN 30 -9.974 7.646 2.221 235 H HIS 31 H HIS 31 -15.850 5.291 2.572 236 HA HIS 31 HA HIS 31 -17.463 4.198 4.734 237 HB2 HIS 31 HB2 HIS 31 -16.253 6.168 5.701 238 HB3 HIS 31 HB3 HIS 31 -16.981 7.180 4.460 239 HD1 HIS 31 HD1 HIS 31 -17.771 5.356 7.626 240 HD2 HIS 31 HD2 HIS 31 -19.671 7.836 4.885 241 HE1 HIS 31 HE1 HIS 31 -19.941 6.028 8.707 242 HE2 HIS 31 HE2 HIS 31 -21.001 7.642 7.091 243 H LEU 32 H LEU 32 -18.471 3.314 2.813 244 HA LEU 32 HA LEU 32 -19.564 5.158 0.901 245 HB2 LEU 32 HB2 LEU 32 -20.714 2.960 0.093 246 HB3 LEU 32 HB3 LEU 32 -19.051 3.285 -0.257 247 HG LEU 32 HG LEU 32 -18.360 1.735 1.506 248 HD11 LEU 32 HD11 LEU 32 -19.991 0.329 2.641 249 HD12 LEU 32 HD12 LEU 32 -21.305 1.250 1.911 250 HD13 LEU 32 HD13 LEU 32 -20.218 2.027 3.064 251 HD21 LEU 32 HD21 LEU 32 -18.724 0.876 -0.730 252 HD22 LEU 32 HD22 LEU 32 -20.429 0.608 -0.369 253 HD23 LEU 32 HD23 LEU 32 -19.192 -0.326 0.473 254 H THR 33 H THR 33 -21.805 5.037 0.249 255 HA THR 33 HA THR 33 -23.607 4.917 2.569 256 HB THR 33 HB THR 33 -24.157 6.523 0.077 257 HG1 THR 33 HG1 THR 33 -22.035 7.070 1.002 258 HG21 THR 33 HG21 THR 33 -25.283 8.003 1.798 259 HG22 THR 33 HG22 THR 33 -25.008 6.708 2.963 260 HG23 THR 33 HG23 THR 33 -26.020 6.425 1.546 261 H ASN 34 H ASN 34 -25.947 4.438 1.826 262 HA ASN 34 HA ASN 34 -26.179 1.946 0.757 263 HB2 ASN 34 HB2 ASN 34 -28.559 2.398 0.407 264 HB3 ASN 34 HB3 ASN 34 -28.008 3.061 1.938 265 HD21 ASN 34 HD21 ASN 34 -30.333 3.749 0.348 266 HD22 ASN 34 HD22 ASN 34 -30.200 5.438 -0.005 267 H GLU 35 H GLU 35 -26.351 4.989 -1.057 268 HA GLU 35 HA GLU 35 -27.057 3.863 -3.519 269 HB2 GLU 35 HB2 GLU 35 -26.155 5.979 -4.506 270 HB3 GLU 35 HB3 GLU 35 -27.352 6.193 -3.239 271 HG2 GLU 35 HG2 GLU 35 -25.633 6.730 -1.649 272 HG3 GLU 35 HG3 GLU 35 -24.380 6.407 -2.846 273 H GLU 36 H GLU 36 -23.883 4.253 -2.019 274 HA GLU 36 HA GLU 36 -22.497 3.641 -4.464 275 HB2 GLU 36 HB2 GLU 36 -21.527 5.122 -2.750 276 HB3 GLU 36 HB3 GLU 36 -21.472 3.778 -1.624 277 HG2 GLU 36 HG2 GLU 36 -19.757 2.717 -2.782 278 HG3 GLU 36 HG3 GLU 36 -20.056 3.639 -4.256 279 H ARG 37 H ARG 37 -23.663 1.910 -1.659 280 HA ARG 37 HA ARG 37 -22.334 -0.546 -2.179 281 HB2 ARG 37 HB2 ARG 37 -25.001 -0.089 -0.822 282 HB3 ARG 37 HB3 ARG 37 -24.056 -1.570 -0.751 283 HG2 ARG 37 HG2 ARG 37 -22.231 -0.259 0.337 284 HG3 ARG 37 HG3 ARG 37 -23.343 1.109 0.414 285 HD2 ARG 37 HD2 ARG 37 -23.721 -1.594 1.697 286 HD3 ARG 37 HD3 ARG 37 -23.330 -0.088 2.522 287 HE ARG 37 HE ARG 37 -25.811 -0.146 0.997 288 HH11 ARG 37 HH11 ARG 37 -24.253 -0.396 4.120 289 HH12 ARG 37 HH12 ARG 37 -25.706 -0.086 5.009 290 HH21 ARG 37 HH21 ARG 37 -27.728 0.231 2.162 291 HH22 ARG 37 HH22 ARG 37 -27.689 0.256 3.895 292 H ASN 38 H ASN 38 -25.487 0.757 -3.083 293 HA ASN 38 HA ASN 38 -26.345 -1.423 -4.659 294 HB2 ASN 38 HB2 ASN 38 -27.931 0.228 -3.876 295 HB3 ASN 38 HB3 ASN 38 -27.077 1.514 -4.720 296 HD21 ASN 38 HD21 ASN 38 -27.449 1.843 -6.874 297 HD22 ASN 38 HD22 ASN 38 -28.652 0.986 -7.773 298 H ASP 39 H ASP 39 -24.256 1.278 -5.276 299 HA ASP 39 HA ASP 39 -24.368 1.209 -8.114 300 HB2 ASP 39 HB2 ASP 39 -23.652 3.181 -6.767 301 HB3 ASP 39 HB3 ASP 39 -22.179 2.315 -6.345 302 H MET 40 H MET 40 -22.064 -0.078 -5.741 303 HA MET 40 HA MET 40 -20.458 -1.309 -7.800 304 HB2 MET 40 HB2 MET 40 -19.081 -2.136 -5.950 305 HB3 MET 40 HB3 MET 40 -19.378 -0.411 -5.808 306 HG2 MET 40 HG2 MET 40 -19.647 -1.135 -3.643 307 HG3 MET 40 HG3 MET 40 -21.305 -1.112 -4.234 308 HE1 MET 40 HE1 MET 40 -21.263 -4.178 -1.784 309 HE2 MET 40 HE2 MET 40 -22.079 -2.673 -2.205 310 HE3 MET 40 HE3 MET 40 -20.421 -2.638 -1.607 311 H ILE 41 H ILE 41 -23.212 -2.124 -6.053 312 HA ILE 41 HA ILE 41 -24.601 -3.903 -6.113 313 HB ILE 41 HB ILE 41 -22.654 -5.241 -7.998 314 HG12 ILE 41 HG12 ILE 41 -25.042 -3.506 -8.629 315 HG13 ILE 41 HG13 ILE 41 -23.364 -3.026 -8.831 316 HG21 ILE 41 HG21 ILE 41 -24.279 -6.751 -6.995 317 HG22 ILE 41 HG22 ILE 41 -24.621 -6.514 -8.708 318 HG23 ILE 41 HG23 ILE 41 -25.592 -5.685 -7.492 319 HD11 ILE 41 HD11 ILE 41 -24.749 -5.264 -10.287 320 HD12 ILE 41 HD12 ILE 41 -23.060 -4.797 -10.484 321 HD13 ILE 41 HD13 ILE 41 -24.343 -3.682 -10.948 322 H SER 42 H SER 42 -21.533 -5.657 -6.501 323 HA SER 42 HA SER 42 -21.461 -6.440 -3.733 324 HB2 SER 42 HB2 SER 42 -22.007 -8.522 -5.869 325 HB3 SER 42 HB3 SER 42 -21.639 -8.860 -4.181 326 HG SER 42 HG SER 42 -23.661 -7.103 -4.310 327 H TYR 43 H TYR 43 -19.896 -5.228 -6.029 328 HA TYR 43 HA TYR 43 -17.564 -7.027 -5.885 329 HB2 TYR 43 HB2 TYR 43 -18.483 -7.045 -8.131 330 HB3 TYR 43 HB3 TYR 43 -18.480 -5.288 -8.181 331 HD1 TYR 43 HD1 TYR 43 -16.642 -4.162 -9.084 332 HD2 TYR 43 HD2 TYR 43 -16.197 -8.206 -7.843 333 HE1 TYR 43 HE1 TYR 43 -14.377 -4.199 -10.040 334 HE2 TYR 43 HE2 TYR 43 -13.934 -8.255 -8.795 335 HH TYR 43 HH TYR 43 -12.340 -5.385 -9.896 336 H LYS 44 H LYS 44 -15.664 -6.162 -5.258 337 HA LYS 44 HA LYS 44 -15.569 -3.508 -4.209 338 HB2 LYS 44 HB2 LYS 44 -13.250 -5.359 -4.805 339 HB3 LYS 44 HB3 LYS 44 -13.221 -3.961 -3.743 340 HG2 LYS 44 HG2 LYS 44 -14.834 -5.100 -2.261 341 HG3 LYS 44 HG3 LYS 44 -14.743 -6.520 -3.301 342 HD2 LYS 44 HD2 LYS 44 -12.297 -6.605 -2.881 343 HD3 LYS 44 HD3 LYS 44 -12.482 -5.273 -1.740 344 HE2 LYS 44 HE2 LYS 44 -14.052 -6.663 -0.433 345 HE3 LYS 44 HE3 LYS 44 -13.757 -7.998 -1.544 346 HZ1 LYS 44 HZ1 LYS 44 -11.720 -6.693 0.180 347 HZ2 LYS 44 HZ2 LYS 44 -11.423 -7.960 -0.899 348 HZ3 LYS 44 HZ3 LYS 44 -12.421 -8.210 0.443 349 H GLU 45 H GLU 45 -16.086 -2.153 -5.946 350 HA GLU 45 HA GLU 45 -14.991 -2.292 -8.505 351 HB2 GLU 45 HB2 GLU 45 -17.012 -1.026 -7.951 352 HB3 GLU 45 HB3 GLU 45 -16.056 0.137 -7.059 353 HG2 GLU 45 HG2 GLU 45 -15.012 0.878 -9.031 354 HG3 GLU 45 HG3 GLU 45 -15.690 -0.432 -9.978 355 H ASN 46 H ASN 46 -13.750 -0.747 -5.615 356 HA ASN 46 HA ASN 46 -11.761 0.844 -6.823 357 HB2 ASN 46 HB2 ASN 46 -12.450 1.079 -4.461 358 HB3 ASN 46 HB3 ASN 46 -11.746 -0.492 -4.103 359 HD21 ASN 46 HD21 ASN 46 -11.136 2.852 -4.701 360 HD22 ASN 46 HD22 ASN 46 -9.451 2.831 -4.314 361 H GLY 47 H GLY 47 -12.043 -2.541 -6.348 362 HA2 GLY 47 HA2 GLY 47 -10.723 -4.269 -7.103 363 HA3 GLY 47 HA3 GLY 47 -9.600 -3.071 -7.756 364 H ASP 48 H ASP 48 -10.038 -2.168 -4.679 365 HA ASP 48 HA ASP 48 -8.637 -2.036 -2.921 366 HB2 ASP 48 HB2 ASP 48 -9.486 -4.192 -2.322 367 HB3 ASP 48 HB3 ASP 48 -8.387 -5.001 -3.434 368 H VAL 49 H VAL 49 -7.289 -0.710 -4.056 369 HA VAL 49 HA VAL 49 -5.096 -1.688 -5.575 370 HB VAL 49 HB VAL 49 -4.392 0.765 -5.486 371 HG11 VAL 49 HG11 VAL 49 -7.128 0.063 -6.549 372 HG12 VAL 49 HG12 VAL 49 -5.594 -0.249 -7.361 373 HG13 VAL 49 HG13 VAL 49 -6.125 1.409 -7.088 374 HG21 VAL 49 HG21 VAL 49 -6.021 2.386 -4.736 375 HG22 VAL 49 HG22 VAL 49 -5.679 1.294 -3.394 376 HG23 VAL 49 HG23 VAL 49 -7.165 1.121 -4.324 377 H HIS 50 H HIS 50 -3.814 -2.953 -4.356 378 HA HIS 50 HA HIS 50 -2.371 -1.690 -2.123 379 HB2 HIS 50 HB2 HIS 50 -4.038 -3.414 -1.351 380 HB3 HIS 50 HB3 HIS 50 -3.172 -4.609 -2.303 381 HD1 HIS 50 HD1 HIS 50 -3.470 -3.550 1.040 382 HD2 HIS 50 HD2 HIS 50 -0.248 -4.623 -1.353 383 HE1 HIS 50 HE1 HIS 50 -1.633 -4.185 2.627 384 HE2 HIS 50 HE2 HIS 50 0.193 -5.086 1.150 385 H VAL 51 H VAL 51 -0.507 -1.220 -3.187 386 HA VAL 51 HA VAL 51 0.775 -3.410 -4.692 387 HB VAL 51 HB VAL 51 1.928 -1.600 -5.995 388 HG11 VAL 51 HG11 VAL 51 0.028 -2.784 -6.950 389 HG12 VAL 51 HG12 VAL 51 0.004 -1.083 -7.422 390 HG13 VAL 51 HG13 VAL 51 -1.078 -1.662 -6.156 391 HG21 VAL 51 HG21 VAL 51 1.660 0.223 -4.477 392 HG22 VAL 51 HG22 VAL 51 -0.096 0.126 -4.621 393 HG23 VAL 51 HG23 VAL 51 0.880 0.609 -6.010 394 H LEU 52 H LEU 52 2.952 -3.759 -4.420 395 HA LEU 52 HA LEU 52 4.141 -2.426 -2.084 396 HB2 LEU 52 HB2 LEU 52 5.010 -5.016 -3.371 397 HB3 LEU 52 HB3 LEU 52 5.554 -4.362 -1.836 398 HG LEU 52 HG LEU 52 2.811 -5.453 -2.465 399 HD11 LEU 52 HD11 LEU 52 4.953 -6.388 -0.564 400 HD12 LEU 52 HD12 LEU 52 4.563 -7.125 -2.117 401 HD13 LEU 52 HD13 LEU 52 3.375 -7.137 -0.813 402 HD21 LEU 52 HD21 LEU 52 2.256 -4.996 -0.143 403 HD22 LEU 52 HD22 LEU 52 2.652 -3.503 -0.993 404 HD23 LEU 52 HD23 LEU 52 3.828 -4.235 0.099 405 H THR 53 H THR 53 5.980 -1.258 -2.290 406 HA THR 53 HA THR 53 7.640 -1.516 -4.653 407 HB THR 53 HB THR 53 5.832 0.012 -5.399 408 HG1 THR 53 HG1 THR 53 7.482 0.696 -6.528 409 HG21 THR 53 HG21 THR 53 6.851 1.843 -3.228 410 HG22 THR 53 HG22 THR 53 5.288 1.028 -3.239 411 HG23 THR 53 HG23 THR 53 5.651 2.256 -4.452 412 H ILE 54 H ILE 54 9.433 0.255 -4.517 413 HA ILE 54 HA ILE 54 10.503 0.070 -1.814 414 HB ILE 54 HB ILE 54 11.654 0.414 -4.530 415 HG12 ILE 54 HG12 ILE 54 13.131 -0.947 -2.384 416 HG13 ILE 54 HG13 ILE 54 11.551 -1.612 -2.740 417 HG21 ILE 54 HG21 ILE 54 12.533 2.381 -3.415 418 HG22 ILE 54 HG22 ILE 54 13.802 1.182 -3.670 419 HG23 ILE 54 HG23 ILE 54 13.086 1.385 -2.071 420 HD11 ILE 54 HD11 ILE 54 13.429 -2.657 -3.990 421 HD12 ILE 54 HD12 ILE 54 13.660 -1.115 -4.816 422 HD13 ILE 54 HD13 ILE 54 12.151 -2.005 -5.015 423 H CYS 55 H CYS 55 10.626 1.729 -0.454 424 HA CYS 55 HA CYS 55 9.666 4.324 -1.266 425 HB2 CYS 55 HB2 CYS 55 9.612 4.898 1.030 426 HB3 CYS 55 HB3 CYS 55 9.129 3.210 0.965 427 H GLU 56 H GLU 56 10.949 6.275 -0.287 428 HA GLU 56 HA GLU 56 13.217 6.569 -1.875 429 HB2 GLU 56 HB2 GLU 56 11.723 8.367 -0.877 430 HB3 GLU 56 HB3 GLU 56 12.639 8.176 0.608 431 HG2 GLU 56 HG2 GLU 56 14.681 8.784 -0.589 432 HG3 GLU 56 HG3 GLU 56 13.738 9.009 -2.060 433 H ASP 57 H ASP 57 12.975 6.009 1.621 434 HA ASP 57 HA ASP 57 15.688 6.043 2.245 435 HB2 ASP 57 HB2 ASP 57 14.126 6.099 4.029 436 HB3 ASP 57 HB3 ASP 57 13.360 4.604 3.504 437 H CYS 58 H CYS 58 13.651 3.294 1.269 438 HA CYS 58 HA CYS 58 15.765 1.402 1.500 439 HB2 CYS 58 HB2 CYS 58 13.090 1.267 0.116 440 HB3 CYS 58 HB3 CYS 58 14.219 -0.083 0.151 441 H GLN 59 H GLN 59 14.371 3.170 -1.256 442 HA GLN 59 HA GLN 59 15.976 2.174 -3.294 443 HB2 GLN 59 HB2 GLN 59 14.054 3.821 -3.379 444 HB3 GLN 59 HB3 GLN 59 15.221 5.077 -3.020 445 HG2 GLN 59 HG2 GLN 59 15.098 3.344 -5.480 446 HG3 GLN 59 HG3 GLN 59 14.753 5.055 -5.363 447 HE21 GLN 59 HE21 GLN 59 16.479 6.513 -5.008 448 HE22 GLN 59 HE22 GLN 59 18.074 6.098 -5.526 449 H GLU 60 H GLU 60 16.787 4.624 -0.831 450 HA GLU 60 HA GLU 60 19.267 5.139 -2.091 451 HB2 GLU 60 HB2 GLU 60 17.974 5.863 0.499 452 HB3 GLU 60 HB3 GLU 60 19.676 6.085 0.312 453 HG2 GLU 60 HG2 GLU 60 19.229 7.476 -1.692 454 HG3 GLU 60 HG3 GLU 60 17.529 7.338 -1.288 455 H ALA 61 H ALA 61 18.201 3.176 0.628 456 HA ALA 61 HA ALA 61 20.609 1.971 1.335 457 HB1 ALA 61 HB1 ALA 61 17.960 0.550 1.115 458 HB2 ALA 61 HB2 ALA 61 18.365 1.656 2.430 459 HB3 ALA 61 HB3 ALA 61 19.297 0.180 2.205 460 H LEU 62 H LEU 62 18.523 1.594 -1.343 461 HA LEU 62 HA LEU 62 19.577 -0.763 -2.534 462 HB2 LEU 62 HB2 LEU 62 17.984 1.588 -3.446 463 HB3 LEU 62 HB3 LEU 62 18.548 0.424 -4.599 464 HG LEU 62 HG LEU 62 16.281 0.329 -2.808 465 HD11 LEU 62 HD11 LEU 62 16.081 0.059 -5.165 466 HD12 LEU 62 HD12 LEU 62 15.619 -1.456 -4.384 467 HD13 LEU 62 HD13 LEU 62 17.205 -1.298 -5.138 468 HD21 LEU 62 HD21 LEU 62 17.767 -1.110 -1.475 469 HD22 LEU 62 HD22 LEU 62 17.987 -2.149 -2.885 470 HD23 LEU 62 HD23 LEU 62 16.392 -1.974 -2.155 471 H ASP 63 H ASP 63 19.925 2.658 -3.315 472 HA ASP 63 HA ASP 63 21.738 2.178 -5.431 473 HB2 ASP 63 HB2 ASP 63 20.311 3.990 -5.734 474 HB3 ASP 63 HB3 ASP 63 20.606 4.647 -4.136 475 H ARG 64 H ARG 64 22.288 3.690 -2.180 476 HA ARG 64 HA ARG 64 25.109 2.991 -2.542 477 HB2 ARG 64 HB2 ARG 64 24.087 5.790 -2.318 478 HB3 ARG 64 HB3 ARG 64 25.678 5.388 -1.684 479 HG2 ARG 64 HG2 ARG 64 26.385 4.615 -3.865 480 HG3 ARG 64 HG3 ARG 64 24.770 4.905 -4.513 481 HD2 ARG 64 HD2 ARG 64 24.997 7.278 -4.103 482 HD3 ARG 64 HD3 ARG 64 26.572 7.019 -3.351 483 HE ARG 64 HE ARG 64 27.512 6.676 -5.448 484 HH11 ARG 64 HH11 ARG 64 24.031 6.954 -5.727 485 HH12 ARG 64 HH12 ARG 64 24.076 7.307 -7.424 486 HH21 ARG 64 HH21 ARG 64 27.562 7.125 -7.684 487 HH22 ARG 64 HH22 ARG 64 26.078 7.404 -8.537 488 H ASN 65 H ASN 65 22.523 3.726 -0.357 489 HA ASN 65 HA ASN 65 24.281 3.909 1.929 490 HB2 ASN 65 HB2 ASN 65 21.303 4.044 1.591 491 HB3 ASN 65 HB3 ASN 65 22.022 3.874 3.190 492 HD21 ASN 65 HD21 ASN 65 20.499 6.086 2.082 493 HD22 ASN 65 HD22 ASN 65 21.526 7.474 2.182 494 HA PRO 66 HA PRO 66 24.262 -0.449 2.681 495 HB2 PRO 66 HB2 PRO 66 25.727 -0.446 4.925 496 HB3 PRO 66 HB3 PRO 66 26.438 -0.060 3.353 497 HG2 PRO 66 HG2 PRO 66 25.566 1.779 5.544 498 HG3 PRO 66 HG3 PRO 66 27.016 1.858 4.529 499 HD2 PRO 66 HD2 PRO 66 24.743 3.348 4.102 500 HD3 PRO 66 HD3 PRO 66 25.910 2.925 2.835 501 H HIS 67 H HIS 67 24.120 -1.797 4.895 502 HA HIS 67 HA HIS 67 22.797 -2.626 6.521 503 HB2 HIS 67 HB2 HIS 67 22.245 0.299 6.994 504 HB3 HIS 67 HB3 HIS 67 21.545 -0.969 7.991 505 HD1 HIS 67 HD1 HIS 67 22.968 -1.879 9.845 506 HD2 HIS 67 HD2 HIS 67 25.134 0.424 7.148 507 HE1 HIS 67 HE1 HIS 67 25.247 -1.604 10.867 508 HE2 HIS 67 HE2 HIS 67 26.472 -0.057 9.304 509 H TYR 68 H TYR 68 21.791 -2.577 3.893 510 HA TYR 68 HA TYR 68 18.918 -2.180 4.240 511 HB2 TYR 68 HB2 TYR 68 19.962 -1.540 2.080 512 HB3 TYR 68 HB3 TYR 68 20.455 -3.210 1.841 513 HD1 TYR 68 HD1 TYR 68 19.114 -4.548 0.524 514 HD2 TYR 68 HD2 TYR 68 17.349 -1.256 2.562 515 HE1 TYR 68 HE1 TYR 68 16.951 -5.050 -0.538 516 HE2 TYR 68 HE2 TYR 68 15.189 -1.749 1.502 517 HH TYR 68 HH TYR 68 14.576 -4.664 -0.146 518 H HIS 69 H HIS 69 21.298 -4.689 3.722 519 HA HIS 69 HA HIS 69 19.459 -6.634 4.897 520 HB2 HIS 69 HB2 HIS 69 20.100 -8.359 3.298 521 HB3 HIS 69 HB3 HIS 69 19.413 -6.989 2.441 522 HD1 HIS 69 HD1 HIS 69 22.241 -9.229 2.406 523 HD2 HIS 69 HD2 HIS 69 21.548 -5.295 1.241 524 HE1 HIS 69 HE1 HIS 69 24.101 -8.654 0.816 525 HE2 HIS 69 HE2 HIS 69 23.638 -6.293 0.080 526 H GLU 70 H GLU 70 20.431 -7.977 6.351 527 HA GLU 70 HA GLU 70 23.001 -7.052 7.255 528 HB2 GLU 70 HB2 GLU 70 21.200 -9.184 8.411 529 HB3 GLU 70 HB3 GLU 70 22.582 -8.449 9.211 530 HG2 GLU 70 HG2 GLU 70 21.424 -6.249 9.034 531 HG3 GLU 70 HG3 GLU 70 20.009 -7.107 8.428 532 H TYR 71 H TYR 71 24.177 -7.821 5.373 533 HA TYR 71 HA TYR 71 24.686 -10.706 5.345 534 HB2 TYR 71 HB2 TYR 71 24.274 -9.639 3.174 535 HB3 TYR 71 HB3 TYR 71 25.604 -8.524 3.458 536 HD1 TYR 71 HD1 TYR 71 25.058 -12.229 3.508 537 HD2 TYR 71 HD2 TYR 71 27.550 -8.990 2.331 538 HE1 TYR 71 HE1 TYR 71 26.599 -13.815 2.432 539 HE2 TYR 71 HE2 TYR 71 29.101 -10.566 1.258 540 HH TYR 71 HH TYR 71 28.316 -13.765 0.601 541 H HIS 72 H HIS 72 26.637 -11.576 5.880 542 HA HIS 72 HA HIS 72 28.361 -9.868 7.474 543 HB2 HIS 72 HB2 HIS 72 27.525 -12.215 8.136 544 HB3 HIS 72 HB3 HIS 72 28.745 -12.816 7.022 545 HD1 HIS 72 HD1 HIS 72 31.169 -12.784 7.792 546 HD2 HIS 72 HD2 HIS 72 28.583 -10.898 10.439 547 HE1 HIS 72 HE1 HIS 72 32.517 -12.374 9.873 548 HE2 HIS 72 HE2 HIS 72 30.970 -11.106 11.403 549 H THR 73 H THR 73 29.269 -8.661 5.763 550 HA THR 73 HA THR 73 31.232 -10.136 4.160 551 HB THR 73 HB THR 73 29.712 -8.850 2.775 552 HG1 THR 73 HG1 THR 73 31.388 -7.310 1.888 553 HG21 THR 73 HG21 THR 73 29.019 -7.165 4.412 554 HG22 THR 73 HG22 THR 73 29.548 -6.419 2.904 555 HG23 THR 73 HG23 THR 73 30.611 -6.412 4.311 Start of MODEL 11 1 H1 GLN -1 H1 GLN -1 -2.046 12.969 -13.486 2 H2 GLN -1 H2 GLN -1 -1.583 12.161 -12.075 3 H3 GLN -1 H3 GLN -1 -2.596 13.514 -11.987 4 HA GLN -1 HA GLN -1 -4.358 12.370 -13.089 5 HB2 GLN -1 HB2 GLN -1 -2.388 10.077 -13.192 6 HB3 GLN -1 HB3 GLN -1 -4.097 9.937 -13.579 7 HG2 GLN -1 HG2 GLN -1 -2.193 11.762 -15.022 8 HG3 GLN -1 HG3 GLN -1 -2.583 10.127 -15.545 9 HE21 GLN -1 HE21 GLN -1 -3.461 10.820 -17.472 10 HE22 GLN -1 HE22 GLN -1 -4.984 11.638 -17.566 11 H SER 0 H SER 0 -2.841 12.650 -10.368 12 HA SER 0 HA SER 0 -3.100 12.059 -8.197 13 HB2 SER 0 HB2 SER 0 -5.539 12.396 -8.789 14 HB3 SER 0 HB3 SER 0 -5.644 10.661 -9.070 15 HG SER 0 HG SER 0 -6.200 11.637 -6.880 16 H MET 1 H MET 1 -3.428 9.950 -6.755 17 HA MET 1 HA MET 1 -2.050 7.782 -8.166 18 HB2 MET 1 HB2 MET 1 -2.593 8.012 -5.206 19 HB3 MET 1 HB3 MET 1 -1.562 6.832 -5.996 20 HG2 MET 1 HG2 MET 1 -0.064 8.655 -6.705 21 HG3 MET 1 HG3 MET 1 -1.073 9.794 -5.813 22 HE1 MET 1 HE1 MET 1 2.186 9.519 -3.624 23 HE2 MET 1 HE2 MET 1 1.143 10.594 -4.552 24 HE3 MET 1 HE3 MET 1 2.121 9.386 -5.381 25 H ALA 2 H ALA 2 -2.901 5.751 -8.281 26 HA ALA 2 HA ALA 2 -5.727 5.484 -7.505 27 HB1 ALA 2 HB1 ALA 2 -4.350 4.269 -9.899 28 HB2 ALA 2 HB2 ALA 2 -5.465 5.634 -9.930 29 HB3 ALA 2 HB3 ALA 2 -6.040 4.037 -9.453 30 H LEU 3 H LEU 3 -2.650 4.448 -6.921 31 HA LEU 3 HA LEU 3 -3.599 1.872 -5.874 32 HB2 LEU 3 HB2 LEU 3 -0.724 2.365 -6.576 33 HB3 LEU 3 HB3 LEU 3 -1.498 0.861 -6.255 34 HG LEU 3 HG LEU 3 -2.748 1.158 -8.437 35 HD11 LEU 3 HD11 LEU 3 -2.393 3.510 -8.719 36 HD12 LEU 3 HD12 LEU 3 -1.628 2.639 -10.055 37 HD13 LEU 3 HD13 LEU 3 -0.647 3.275 -8.729 38 HD21 LEU 3 HD21 LEU 3 0.258 0.927 -8.541 39 HD22 LEU 3 HD22 LEU 3 -0.879 0.328 -9.747 40 HD23 LEU 3 HD23 LEU 3 -0.849 -0.383 -8.132 41 H HIS 4 H HIS 4 -2.546 1.204 -3.912 42 HA HIS 4 HA HIS 4 -1.693 3.504 -2.286 43 HB2 HIS 4 HB2 HIS 4 -2.687 0.787 -1.404 44 HB3 HIS 4 HB3 HIS 4 -2.192 2.078 -0.323 45 HD1 HIS 4 HD1 HIS 4 -5.087 0.719 -0.521 46 HD2 HIS 4 HD2 HIS 4 -3.977 4.439 -2.015 47 HE1 HIS 4 HE1 HIS 4 -7.206 2.071 -0.614 48 HE2 HIS 4 HE2 HIS 4 -6.493 4.354 -1.403 49 H TYR 5 H TYR 5 0.345 3.648 -1.732 50 HA TYR 5 HA TYR 5 2.162 1.527 -2.554 51 HB2 TYR 5 HB2 TYR 5 2.403 4.439 -2.018 52 HB3 TYR 5 HB3 TYR 5 3.837 3.446 -1.749 53 HD1 TYR 5 HD1 TYR 5 1.550 2.400 -4.385 54 HD2 TYR 5 HD2 TYR 5 4.970 4.776 -3.502 55 HE1 TYR 5 HE1 TYR 5 2.072 2.532 -6.782 56 HE2 TYR 5 HE2 TYR 5 5.506 4.901 -5.887 57 HH TYR 5 HH TYR 5 3.325 3.959 -8.334 58 H TYR 6 H TYR 6 2.906 0.104 -1.188 59 HA TYR 6 HA TYR 6 3.584 0.955 1.545 60 HB2 TYR 6 HB2 TYR 6 2.389 -1.729 0.781 61 HB3 TYR 6 HB3 TYR 6 2.893 -1.239 2.398 62 HD1 TYR 6 HD1 TYR 6 0.157 -1.462 0.178 63 HD2 TYR 6 HD2 TYR 6 1.753 0.932 3.301 64 HE1 TYR 6 HE1 TYR 6 -2.080 -0.518 0.587 65 HE2 TYR 6 HE2 TYR 6 -0.475 1.877 3.715 66 HH TYR 6 HH TYR 6 -3.315 0.583 2.456 67 H CYS 7 H CYS 7 5.599 0.186 2.243 68 HA CYS 7 HA CYS 7 7.293 -0.476 0.033 69 HB2 CYS 7 HB2 CYS 7 8.026 1.110 1.821 70 HB3 CYS 7 HB3 CYS 7 8.156 -0.251 2.903 71 H ARG 8 H ARG 8 8.396 -2.195 -0.431 72 HA ARG 8 HA ARG 8 7.786 -4.684 0.807 73 HB2 ARG 8 HB2 ARG 8 9.406 -5.638 -0.703 74 HB3 ARG 8 HB3 ARG 8 8.451 -4.457 -1.585 75 HG2 ARG 8 HG2 ARG 8 10.240 -2.842 -1.414 76 HG3 ARG 8 HG3 ARG 8 11.196 -3.982 -0.458 77 HD2 ARG 8 HD2 ARG 8 11.035 -5.558 -2.423 78 HD3 ARG 8 HD3 ARG 8 10.387 -4.200 -3.347 79 HE ARG 8 HE ARG 8 12.774 -3.445 -2.056 80 HH11 ARG 8 HH11 ARG 8 11.622 -5.383 -4.732 81 HH12 ARG 8 HH12 ARG 8 13.094 -5.245 -5.640 82 HH21 ARG 8 HH21 ARG 8 14.741 -3.293 -3.236 83 HH22 ARG 8 HH22 ARG 8 14.871 -4.061 -4.787 84 H HIS 9 H HIS 9 8.554 -5.385 2.547 85 HA HIS 9 HA HIS 9 10.075 -6.223 4.060 86 HB2 HIS 9 HB2 HIS 9 11.975 -5.910 2.536 87 HB3 HIS 9 HB3 HIS 9 12.053 -4.207 2.969 88 HD1 HIS 9 HD1 HIS 9 13.590 -3.634 4.858 89 HD2 HIS 9 HD2 HIS 9 12.550 -7.662 4.862 90 HE1 HIS 9 HE1 HIS 9 14.971 -4.686 6.668 91 HE2 HIS 9 HE2 HIS 9 14.465 -7.146 6.525 92 H CYS 10 H CYS 10 9.962 -2.699 3.635 93 HA CYS 10 HA CYS 10 10.151 -2.229 6.470 94 HB2 CYS 10 HB2 CYS 10 9.249 -0.377 4.279 95 HB3 CYS 10 HB3 CYS 10 9.625 0.104 5.921 96 H GLY 11 H GLY 11 7.585 -2.365 4.067 97 HA2 GLY 11 HA2 GLY 11 5.302 -2.545 4.323 98 HA3 GLY 11 HA3 GLY 11 5.543 -2.607 6.077 99 H VAL 12 H VAL 12 7.133 0.031 4.681 100 HA VAL 12 HA VAL 12 5.384 1.802 6.024 101 HB VAL 12 HB VAL 12 7.654 2.367 6.218 102 HG11 VAL 12 HG11 VAL 12 9.093 2.892 4.330 103 HG12 VAL 12 HG12 VAL 12 7.781 2.511 3.220 104 HG13 VAL 12 HG13 VAL 12 8.488 1.244 4.215 105 HG21 VAL 12 HG21 VAL 12 6.114 4.255 5.963 106 HG22 VAL 12 HG22 VAL 12 6.481 4.273 4.236 107 HG23 VAL 12 HG23 VAL 12 7.750 4.619 5.413 108 H LYS 13 H LYS 13 4.026 3.257 5.326 109 HA LYS 13 HA LYS 13 2.814 2.840 2.771 110 HB2 LYS 13 HB2 LYS 13 2.245 5.140 4.651 111 HB3 LYS 13 HB3 LYS 13 1.150 4.380 3.497 112 HG2 LYS 13 HG2 LYS 13 1.050 2.383 4.862 113 HG3 LYS 13 HG3 LYS 13 2.221 3.059 5.984 114 HD2 LYS 13 HD2 LYS 13 0.174 3.433 7.035 115 HD3 LYS 13 HD3 LYS 13 0.531 4.980 6.272 116 HE2 LYS 13 HE2 LYS 13 -1.699 4.652 5.741 117 HE3 LYS 13 HE3 LYS 13 -0.865 4.071 4.303 118 HZ1 LYS 13 HZ1 LYS 13 -2.516 2.483 4.837 119 HZ2 LYS 13 HZ2 LYS 13 -2.075 2.452 6.466 120 HZ3 LYS 13 HZ3 LYS 13 -1.043 1.797 5.306 121 H VAL 14 H VAL 14 4.128 3.459 1.100 122 HA VAL 14 HA VAL 14 5.667 5.907 1.248 123 HB VAL 14 HB VAL 14 5.497 4.695 -1.406 124 HG11 VAL 14 HG11 VAL 14 7.181 6.307 -0.850 125 HG12 VAL 14 HG12 VAL 14 7.950 4.754 -1.202 126 HG13 VAL 14 HG13 VAL 14 7.767 5.288 0.474 127 HG21 VAL 14 HG21 VAL 14 6.455 2.987 0.879 128 HG22 VAL 14 HG22 VAL 14 6.887 2.710 -0.813 129 HG23 VAL 14 HG23 VAL 14 5.195 2.607 -0.304 130 H GLY 15 H GLY 15 2.542 5.113 0.440 131 HA2 GLY 15 HA2 GLY 15 2.004 7.688 -0.686 132 HA3 GLY 15 HA3 GLY 15 1.914 6.408 -1.891 133 H SER 16 H SER 16 0.666 7.505 1.187 134 HA SER 16 HA SER 16 -1.883 6.243 0.543 135 HB2 SER 16 HB2 SER 16 -0.518 5.948 3.228 136 HB3 SER 16 HB3 SER 16 -2.095 5.300 2.780 137 HG SER 16 HG SER 16 -0.514 4.383 0.963 138 H LEU 17 H LEU 17 -2.703 8.290 0.149 139 HA LEU 17 HA LEU 17 -2.919 10.032 2.499 140 HB2 LEU 17 HB2 LEU 17 -3.504 11.843 0.912 141 HB3 LEU 17 HB3 LEU 17 -1.883 11.222 0.679 142 HG LEU 17 HG LEU 17 -4.066 10.101 -1.019 143 HD11 LEU 17 HD11 LEU 17 -4.452 12.522 -1.075 144 HD12 LEU 17 HD12 LEU 17 -3.839 11.920 -2.614 145 HD13 LEU 17 HD13 LEU 17 -2.762 12.775 -1.511 146 HD21 LEU 17 HD21 LEU 17 -1.781 9.216 -1.158 147 HD22 LEU 17 HD22 LEU 17 -1.184 10.829 -1.549 148 HD23 LEU 17 HD23 LEU 17 -2.269 9.995 -2.664 149 H GLU 18 H GLU 18 -4.455 7.989 0.320 150 HA GLU 18 HA GLU 18 -7.043 8.590 1.533 151 HB2 GLU 18 HB2 GLU 18 -6.513 7.627 -1.280 152 HB3 GLU 18 HB3 GLU 18 -8.099 7.840 -0.565 153 HG2 GLU 18 HG2 GLU 18 -7.702 10.233 -0.364 154 HG3 GLU 18 HG3 GLU 18 -6.093 10.026 -1.051 155 H SER 19 H SER 19 -5.772 6.945 3.006 156 HA SER 19 HA SER 19 -6.730 4.277 2.261 157 HB2 SER 19 HB2 SER 19 -3.956 4.737 3.369 158 HB3 SER 19 HB3 SER 19 -4.646 3.213 2.806 159 HG SER 19 HG SER 19 -4.891 4.972 0.849 160 H SER 20 H SER 20 -6.045 6.641 4.664 161 HA SER 20 HA SER 20 -5.952 5.049 6.961 162 HB2 SER 20 HB2 SER 20 -5.248 7.365 7.006 163 HB3 SER 20 HB3 SER 20 -6.874 7.907 6.610 164 HG SER 20 HG SER 20 -6.291 6.393 8.934 165 H MET 21 H MET 21 -8.720 7.149 6.133 166 HA MET 21 HA MET 21 -10.481 5.117 7.324 167 HB2 MET 21 HB2 MET 21 -10.964 8.074 6.980 168 HB3 MET 21 HB3 MET 21 -11.972 6.928 7.847 169 HG2 MET 21 HG2 MET 21 -9.138 7.595 8.574 170 HG3 MET 21 HG3 MET 21 -10.555 8.327 9.310 171 HE1 MET 21 HE1 MET 21 -9.414 7.562 11.685 172 HE2 MET 21 HE2 MET 21 -8.110 6.766 10.804 173 HE3 MET 21 HE3 MET 21 -9.003 5.886 12.046 174 H VAL 22 H VAL 22 -9.555 5.257 4.560 175 HA VAL 22 HA VAL 22 -11.503 6.254 2.816 176 HB VAL 22 HB VAL 22 -9.247 5.678 2.060 177 HG11 VAL 22 HG11 VAL 22 -8.846 3.682 3.354 178 HG12 VAL 22 HG12 VAL 22 -8.631 3.340 1.636 179 HG13 VAL 22 HG13 VAL 22 -10.099 2.820 2.462 180 HG21 VAL 22 HG21 VAL 22 -9.868 4.504 -0.036 181 HG22 VAL 22 HG22 VAL 22 -10.930 5.852 0.373 182 HG23 VAL 22 HG23 VAL 22 -11.458 4.193 0.663 183 H SER 23 H SER 23 -13.327 5.466 2.012 184 HA SER 23 HA SER 23 -14.658 3.386 3.427 185 HB2 SER 23 HB2 SER 23 -15.534 4.726 0.871 186 HB3 SER 23 HB3 SER 23 -16.558 3.893 2.037 187 HG SER 23 HG SER 23 -15.616 5.559 3.563 188 H THR 24 H THR 24 -13.794 1.435 3.137 189 HA THR 24 HA THR 24 -14.451 0.071 0.709 190 HB THR 24 HB THR 24 -12.272 0.866 0.026 191 HG1 THR 24 HG1 THR 24 -11.316 -1.133 -0.437 192 HG21 THR 24 HG21 THR 24 -10.220 0.336 1.217 193 HG22 THR 24 HG22 THR 24 -11.146 -0.457 2.491 194 HG23 THR 24 HG23 THR 24 -11.301 1.280 2.242 195 H ASP 25 H ASP 25 -15.678 -1.387 1.691 196 HA ASP 25 HA ASP 25 -14.835 -2.479 4.279 197 HB2 ASP 25 HB2 ASP 25 -17.069 -1.497 4.191 198 HB3 ASP 25 HB3 ASP 25 -17.505 -2.557 2.856 199 H SER 26 H SER 26 -15.437 -3.322 1.002 200 HA SER 26 HA SER 26 -15.456 -6.176 1.565 201 HB2 SER 26 HB2 SER 26 -17.103 -5.152 0.004 202 HB3 SER 26 HB3 SER 26 -15.770 -4.693 -1.049 203 HG SER 26 HG SER 26 -15.305 -6.881 -1.343 204 H LEU 27 H LEU 27 -13.803 -4.014 -0.726 205 HA LEU 27 HA LEU 27 -11.729 -3.924 -1.569 206 HB2 LEU 27 HB2 LEU 27 -11.324 -4.058 1.032 207 HB3 LEU 27 HB3 LEU 27 -10.630 -5.616 0.628 208 HG LEU 27 HG LEU 27 -9.746 -3.026 -0.633 209 HD11 LEU 27 HD11 LEU 27 -7.805 -3.163 0.866 210 HD12 LEU 27 HD12 LEU 27 -8.569 -4.515 1.706 211 HD13 LEU 27 HD13 LEU 27 -9.316 -2.917 1.739 212 HD21 LEU 27 HD21 LEU 27 -7.760 -4.320 -1.261 213 HD22 LEU 27 HD22 LEU 27 -9.231 -5.005 -1.953 214 HD23 LEU 27 HD23 LEU 27 -8.479 -5.765 -0.548 215 H GLY 28 H GLY 28 -11.826 -5.017 -3.411 216 HA2 GLY 28 HA2 GLY 28 -11.865 -7.833 -3.673 217 HA3 GLY 28 HA3 GLY 28 -11.473 -6.683 -4.939 218 H PHE 29 H PHE 29 -10.149 -8.436 -2.192 219 HA PHE 29 HA PHE 29 -7.429 -7.846 -2.690 220 HB2 PHE 29 HB2 PHE 29 -8.779 -10.077 -1.182 221 HB3 PHE 29 HB3 PHE 29 -7.031 -9.982 -1.330 222 HD1 PHE 29 HD1 PHE 29 -9.944 -8.787 0.403 223 HD2 PHE 29 HD2 PHE 29 -5.840 -8.009 -0.408 224 HE1 PHE 29 HE1 PHE 29 -9.833 -7.320 2.376 225 HE2 PHE 29 HE2 PHE 29 -5.722 -6.540 1.558 226 HZ PHE 29 HZ PHE 29 -7.722 -6.195 2.955 227 H GLN 30 H GLN 30 -8.493 -11.206 -2.828 228 HA GLN 30 HA GLN 30 -7.769 -11.545 -5.571 229 HB2 GLN 30 HB2 GLN 30 -5.903 -13.131 -5.029 230 HB3 GLN 30 HB3 GLN 30 -5.536 -11.437 -4.784 231 HG2 GLN 30 HG2 GLN 30 -5.839 -11.705 -2.389 232 HG3 GLN 30 HG3 GLN 30 -6.289 -13.393 -2.618 233 HE21 GLN 30 HE21 GLN 30 -3.693 -11.095 -2.612 234 HE22 GLN 30 HE22 GLN 30 -2.401 -12.247 -2.635 235 H HIS 31 H HIS 31 -8.230 -13.143 -2.437 236 HA HIS 31 HA HIS 31 -10.154 -14.955 -3.587 237 HB2 HIS 31 HB2 HIS 31 -7.999 -16.077 -4.091 238 HB3 HIS 31 HB3 HIS 31 -7.604 -16.059 -2.377 239 HD1 HIS 31 HD1 HIS 31 -8.093 -18.195 -1.231 240 HD2 HIS 31 HD2 HIS 31 -10.599 -17.583 -4.494 241 HE1 HIS 31 HE1 HIS 31 -9.525 -20.258 -1.386 242 HE2 HIS 31 HE2 HIS 31 -11.085 -19.834 -3.317 243 H LEU 32 H LEU 32 -10.914 -13.201 -1.846 244 HA LEU 32 HA LEU 32 -10.526 -14.119 0.863 245 HB2 LEU 32 HB2 LEU 32 -10.528 -11.708 0.261 246 HB3 LEU 32 HB3 LEU 32 -12.192 -11.858 -0.221 247 HG LEU 32 HG LEU 32 -12.744 -12.522 2.092 248 HD11 LEU 32 HD11 LEU 32 -10.570 -13.296 2.828 249 HD12 LEU 32 HD12 LEU 32 -11.116 -11.974 3.860 250 HD13 LEU 32 HD13 LEU 32 -9.901 -11.679 2.617 251 HD21 LEU 32 HD21 LEU 32 -12.593 -10.236 2.991 252 HD22 LEU 32 HD22 LEU 32 -13.123 -10.260 1.307 253 HD23 LEU 32 HD23 LEU 32 -11.456 -9.827 1.702 254 H THR 33 H THR 33 -13.474 -13.149 -0.887 255 HA THR 33 HA THR 33 -14.859 -15.564 -0.186 256 HB THR 33 HB THR 33 -16.694 -14.166 0.986 257 HG1 THR 33 HG1 THR 33 -15.131 -12.498 2.251 258 HG21 THR 33 HG21 THR 33 -15.639 -14.470 3.196 259 HG22 THR 33 HG22 THR 33 -14.096 -14.776 2.397 260 HG23 THR 33 HG23 THR 33 -15.450 -15.882 2.157 261 H ASN 34 H ASN 34 -17.415 -14.954 -0.584 262 HA ASN 34 HA ASN 34 -17.591 -14.162 -3.310 263 HB2 ASN 34 HB2 ASN 34 -19.703 -14.571 -1.186 264 HB3 ASN 34 HB3 ASN 34 -20.096 -14.101 -2.834 265 HD21 ASN 34 HD21 ASN 34 -17.469 -16.274 -2.030 266 HD22 ASN 34 HD22 ASN 34 -18.184 -17.692 -2.707 267 H GLU 35 H GLU 35 -17.826 -12.521 -0.271 268 HA GLU 35 HA GLU 35 -18.992 -10.090 -0.980 269 HB2 GLU 35 HB2 GLU 35 -16.620 -10.409 0.866 270 HB3 GLU 35 HB3 GLU 35 -17.864 -9.167 0.931 271 HG2 GLU 35 HG2 GLU 35 -19.505 -10.867 1.508 272 HG3 GLU 35 HG3 GLU 35 -18.252 -12.095 1.474 273 H GLU 36 H GLU 36 -15.592 -10.989 -0.855 274 HA GLU 36 HA GLU 36 -14.414 -8.708 -1.852 275 HB2 GLU 36 HB2 GLU 36 -13.075 -10.421 -0.944 276 HB3 GLU 36 HB3 GLU 36 -13.672 -11.611 -2.090 277 HG2 GLU 36 HG2 GLU 36 -12.572 -10.144 -3.878 278 HG3 GLU 36 HG3 GLU 36 -11.723 -9.386 -2.529 279 H ARG 37 H ARG 37 -15.710 -11.445 -3.686 280 HA ARG 37 HA ARG 37 -14.761 -10.768 -6.209 281 HB2 ARG 37 HB2 ARG 37 -17.337 -12.173 -5.483 282 HB3 ARG 37 HB3 ARG 37 -16.620 -12.150 -7.088 283 HG2 ARG 37 HG2 ARG 37 -14.651 -13.312 -6.228 284 HG3 ARG 37 HG3 ARG 37 -15.370 -13.334 -4.617 285 HD2 ARG 37 HD2 ARG 37 -17.253 -14.645 -5.497 286 HD3 ARG 37 HD3 ARG 37 -16.491 -14.653 -7.087 287 HE ARG 37 HE ARG 37 -14.576 -15.694 -5.494 288 HH11 ARG 37 HH11 ARG 37 -17.945 -16.468 -6.000 289 HH12 ARG 37 HH12 ARG 37 -17.754 -18.147 -5.608 290 HH21 ARG 37 HH21 ARG 37 -14.307 -17.898 -4.986 291 HH22 ARG 37 HH22 ARG 37 -15.680 -18.962 -5.024 292 H ASN 38 H ASN 38 -17.610 -9.606 -4.495 293 HA ASN 38 HA ASN 38 -18.865 -8.363 -6.704 294 HB2 ASN 38 HB2 ASN 38 -19.940 -8.902 -4.484 295 HB3 ASN 38 HB3 ASN 38 -19.078 -7.531 -3.802 296 HD21 ASN 38 HD21 ASN 38 -21.961 -8.097 -4.130 297 HD22 ASN 38 HD22 ASN 38 -22.603 -6.730 -4.973 298 H ASP 39 H ASP 39 -16.547 -7.210 -4.301 299 HA ASP 39 HA ASP 39 -16.562 -4.512 -5.281 300 HB2 ASP 39 HB2 ASP 39 -16.044 -5.026 -2.935 301 HB3 ASP 39 HB3 ASP 39 -14.604 -5.903 -3.441 302 H MET 40 H MET 40 -14.547 -7.353 -5.705 303 HA MET 40 HA MET 40 -12.412 -6.121 -7.073 304 HB2 MET 40 HB2 MET 40 -12.223 -8.363 -6.113 305 HB3 MET 40 HB3 MET 40 -13.419 -8.967 -7.250 306 HG2 MET 40 HG2 MET 40 -11.900 -8.408 -9.106 307 HG3 MET 40 HG3 MET 40 -10.692 -7.890 -7.932 308 HE1 MET 40 HE1 MET 40 -9.559 -9.508 -6.179 309 HE2 MET 40 HE2 MET 40 -9.868 -11.242 -6.087 310 HE3 MET 40 HE3 MET 40 -11.123 -10.096 -5.616 311 H ILE 41 H ILE 41 -15.398 -7.623 -8.217 312 HA ILE 41 HA ILE 41 -14.764 -7.229 -10.976 313 HB ILE 41 HB ILE 41 -17.343 -7.948 -9.595 314 HG12 ILE 41 HG12 ILE 41 -15.831 -9.737 -9.417 315 HG13 ILE 41 HG13 ILE 41 -16.831 -10.114 -10.803 316 HG21 ILE 41 HG21 ILE 41 -17.870 -6.808 -11.691 317 HG22 ILE 41 HG22 ILE 41 -18.246 -8.528 -11.787 318 HG23 ILE 41 HG23 ILE 41 -16.791 -7.899 -12.560 319 HD11 ILE 41 HD11 ILE 41 -14.036 -9.042 -10.873 320 HD12 ILE 41 HD12 ILE 41 -15.058 -9.284 -12.290 321 HD13 ILE 41 HD13 ILE 41 -14.567 -10.665 -11.311 322 H SER 42 H SER 42 -15.951 -5.871 -12.425 323 HA SER 42 HA SER 42 -16.120 -3.779 -13.188 324 HB2 SER 42 HB2 SER 42 -17.776 -2.273 -12.156 325 HB3 SER 42 HB3 SER 42 -18.408 -3.903 -12.344 326 HG SER 42 HG SER 42 -17.333 -3.836 -9.961 327 H TYR 43 H TYR 43 -14.104 -4.603 -11.133 328 HA TYR 43 HA TYR 43 -12.061 -3.667 -10.678 329 HB2 TYR 43 HB2 TYR 43 -12.546 -2.162 -12.638 330 HB3 TYR 43 HB3 TYR 43 -13.205 -0.995 -11.501 331 HD1 TYR 43 HD1 TYR 43 -11.759 0.375 -10.161 332 HD2 TYR 43 HD2 TYR 43 -10.137 -2.667 -12.650 333 HE1 TYR 43 HE1 TYR 43 -9.517 1.334 -9.863 334 HE2 TYR 43 HE2 TYR 43 -7.888 -1.718 -12.355 335 HH TYR 43 HH TYR 43 -7.209 0.720 -10.023 336 H LYS 44 H LYS 44 -11.062 -2.779 -8.868 337 HA LYS 44 HA LYS 44 -12.775 -2.224 -6.633 338 HB2 LYS 44 HB2 LYS 44 -9.768 -2.198 -6.896 339 HB3 LYS 44 HB3 LYS 44 -10.608 -1.864 -5.394 340 HG2 LYS 44 HG2 LYS 44 -10.035 -4.079 -5.168 341 HG3 LYS 44 HG3 LYS 44 -11.690 -4.180 -5.762 342 HD2 LYS 44 HD2 LYS 44 -10.369 -5.787 -6.946 343 HD3 LYS 44 HD3 LYS 44 -10.770 -4.481 -8.062 344 HE2 LYS 44 HE2 LYS 44 -8.443 -5.159 -8.312 345 HE3 LYS 44 HE3 LYS 44 -8.552 -3.506 -7.716 346 HZ1 LYS 44 HZ1 LYS 44 -7.993 -4.231 -5.534 347 HZ2 LYS 44 HZ2 LYS 44 -6.858 -4.903 -6.592 348 HZ3 LYS 44 HZ3 LYS 44 -8.104 -5.865 -5.969 349 H GLU 45 H GLU 45 -13.856 -0.340 -7.190 350 HA GLU 45 HA GLU 45 -12.592 1.963 -8.232 351 HB2 GLU 45 HB2 GLU 45 -15.300 1.526 -6.985 352 HB3 GLU 45 HB3 GLU 45 -14.790 3.065 -7.641 353 HG2 GLU 45 HG2 GLU 45 -14.865 0.541 -9.208 354 HG3 GLU 45 HG3 GLU 45 -16.172 1.712 -9.175 355 H ASN 46 H ASN 46 -12.620 0.750 -5.083 356 HA ASN 46 HA ASN 46 -12.648 3.294 -3.738 357 HB2 ASN 46 HB2 ASN 46 -11.523 0.845 -2.439 358 HB3 ASN 46 HB3 ASN 46 -12.499 2.131 -1.739 359 HD21 ASN 46 HD21 ASN 46 -12.466 -0.899 -3.314 360 HD22 ASN 46 HD22 ASN 46 -14.180 -1.208 -3.260 361 H GLY 47 H GLY 47 -10.379 1.610 -5.547 362 HA2 GLY 47 HA2 GLY 47 -8.258 2.468 -6.121 363 HA3 GLY 47 HA3 GLY 47 -8.266 3.414 -4.628 364 H ASP 48 H ASP 48 -9.048 0.019 -4.692 365 HA ASP 48 HA ASP 48 -7.096 -0.414 -2.623 366 HB2 ASP 48 HB2 ASP 48 -8.903 -2.476 -3.878 367 HB3 ASP 48 HB3 ASP 48 -8.159 -2.523 -2.284 368 H VAL 49 H VAL 49 -5.337 0.063 -4.339 369 HA VAL 49 HA VAL 49 -4.462 -2.547 -5.382 370 HB VAL 49 HB VAL 49 -3.248 0.025 -6.295 371 HG11 VAL 49 HG11 VAL 49 -2.093 -2.110 -6.713 372 HG12 VAL 49 HG12 VAL 49 -2.592 -1.310 -8.204 373 HG13 VAL 49 HG13 VAL 49 -3.513 -2.683 -7.590 374 HG21 VAL 49 HG21 VAL 49 -5.615 -1.351 -7.565 375 HG22 VAL 49 HG22 VAL 49 -4.744 0.034 -8.221 376 HG23 VAL 49 HG23 VAL 49 -5.663 0.201 -6.724 377 H HIS 50 H HIS 50 -3.490 -3.333 -3.615 378 HA HIS 50 HA HIS 50 -1.705 -1.746 -1.990 379 HB2 HIS 50 HB2 HIS 50 -3.272 -3.457 -1.058 380 HB3 HIS 50 HB3 HIS 50 -2.358 -4.703 -1.888 381 HD1 HIS 50 HD1 HIS 50 -2.691 -3.174 1.303 382 HD2 HIS 50 HD2 HIS 50 0.498 -4.694 -0.886 383 HE1 HIS 50 HE1 HIS 50 -0.893 -3.671 2.985 384 HE2 HIS 50 HE2 HIS 50 0.949 -4.763 1.659 385 H VAL 51 H VAL 51 0.043 -1.240 -3.295 386 HA VAL 51 HA VAL 51 1.495 -3.488 -4.502 387 HB VAL 51 HB VAL 51 2.816 -1.598 -5.638 388 HG11 VAL 51 HG11 VAL 51 -0.091 -2.019 -6.306 389 HG12 VAL 51 HG12 VAL 51 1.253 -3.034 -6.820 390 HG13 VAL 51 HG13 VAL 51 1.131 -1.375 -7.401 391 HG21 VAL 51 HG21 VAL 51 1.679 0.510 -5.896 392 HG22 VAL 51 HG22 VAL 51 2.006 0.202 -4.190 393 HG23 VAL 51 HG23 VAL 51 0.380 -0.030 -4.835 394 H LEU 52 H LEU 52 3.460 -4.057 -3.852 395 HA LEU 52 HA LEU 52 4.625 -2.596 -1.605 396 HB2 LEU 52 HB2 LEU 52 5.250 -5.342 -2.699 397 HB3 LEU 52 HB3 LEU 52 6.008 -4.617 -1.290 398 HG LEU 52 HG LEU 52 3.093 -5.357 -1.556 399 HD11 LEU 52 HD11 LEU 52 5.269 -6.512 0.173 400 HD12 LEU 52 HD12 LEU 52 4.602 -7.263 -1.276 401 HD13 LEU 52 HD13 LEU 52 3.579 -7.014 0.137 402 HD21 LEU 52 HD21 LEU 52 3.329 -3.358 -0.217 403 HD22 LEU 52 HD22 LEU 52 4.602 -4.116 0.737 404 HD23 LEU 52 HD23 LEU 52 2.955 -4.733 0.817 405 H THR 53 H THR 53 6.018 -1.105 -2.146 406 HA THR 53 HA THR 53 7.765 -1.569 -4.469 407 HB THR 53 HB THR 53 5.918 0.013 -4.986 408 HG1 THR 53 HG1 THR 53 7.273 1.076 -6.212 409 HG21 THR 53 HG21 THR 53 7.194 1.726 -2.855 410 HG22 THR 53 HG22 THR 53 5.595 0.985 -2.781 411 HG23 THR 53 HG23 THR 53 5.927 2.248 -3.966 412 H ILE 54 H ILE 54 9.419 0.462 -4.394 413 HA ILE 54 HA ILE 54 10.950 0.021 -1.962 414 HB ILE 54 HB ILE 54 11.555 1.237 -4.643 415 HG12 ILE 54 HG12 ILE 54 13.046 -0.891 -3.129 416 HG13 ILE 54 HG13 ILE 54 11.677 -1.241 -4.163 417 HG21 ILE 54 HG21 ILE 54 13.329 1.360 -2.222 418 HG22 ILE 54 HG22 ILE 54 12.589 2.729 -3.054 419 HG23 ILE 54 HG23 ILE 54 13.817 1.759 -3.869 420 HD11 ILE 54 HD11 ILE 54 14.183 0.133 -5.080 421 HD12 ILE 54 HD12 ILE 54 12.840 -0.405 -6.091 422 HD13 ILE 54 HD13 ILE 54 13.854 -1.590 -5.264 423 H CYS 55 H CYS 55 10.973 1.431 -0.314 424 HA CYS 55 HA CYS 55 9.720 4.012 -0.604 425 HB2 CYS 55 HB2 CYS 55 9.940 4.256 1.764 426 HB3 CYS 55 HB3 CYS 55 9.462 2.592 1.465 427 H GLU 56 H GLU 56 10.901 5.972 0.347 428 HA GLU 56 HA GLU 56 13.109 6.621 -1.223 429 HB2 GLU 56 HB2 GLU 56 11.645 8.258 -0.100 430 HB3 GLU 56 HB3 GLU 56 12.287 7.772 1.459 431 HG2 GLU 56 HG2 GLU 56 14.479 8.595 0.826 432 HG3 GLU 56 HG3 GLU 56 13.862 9.054 -0.760 433 H ASP 57 H ASP 57 12.978 5.416 2.110 434 HA ASP 57 HA ASP 57 15.752 5.644 2.607 435 HB2 ASP 57 HB2 ASP 57 14.181 5.475 4.447 436 HB3 ASP 57 HB3 ASP 57 13.677 3.874 3.913 437 H CYS 58 H CYS 58 13.775 3.065 1.247 438 HA CYS 58 HA CYS 58 15.871 1.138 1.204 439 HB2 CYS 58 HB2 CYS 58 13.205 1.356 -0.112 440 HB3 CYS 58 HB3 CYS 58 14.345 0.145 -0.685 441 H GLN 59 H GLN 59 14.440 3.050 -1.462 442 HA GLN 59 HA GLN 59 16.222 2.665 -3.440 443 HB2 GLN 59 HB2 GLN 59 14.146 4.347 -3.076 444 HB3 GLN 59 HB3 GLN 59 15.477 5.492 -3.057 445 HG2 GLN 59 HG2 GLN 59 14.882 3.524 -5.262 446 HG3 GLN 59 HG3 GLN 59 14.507 5.242 -5.282 447 HE21 GLN 59 HE21 GLN 59 16.187 6.740 -5.415 448 HE22 GLN 59 HE22 GLN 59 17.742 6.296 -6.007 449 H GLU 60 H GLU 60 16.671 4.680 -0.579 450 HA GLU 60 HA GLU 60 19.043 5.922 -1.300 451 HB2 GLU 60 HB2 GLU 60 17.474 6.018 0.844 452 HB3 GLU 60 HB3 GLU 60 18.756 5.034 1.498 453 HG2 GLU 60 HG2 GLU 60 19.124 7.363 1.988 454 HG3 GLU 60 HG3 GLU 60 20.348 6.727 0.910 455 H ALA 61 H ALA 61 18.625 2.976 0.664 456 HA ALA 61 HA ALA 61 21.333 2.171 0.595 457 HB1 ALA 61 HB1 ALA 61 18.908 0.391 0.856 458 HB2 ALA 61 HB2 ALA 61 19.621 1.299 2.186 459 HB3 ALA 61 HB3 ALA 61 20.553 0.033 1.388 460 H LEU 62 H LEU 62 18.677 1.848 -1.520 461 HA LEU 62 HA LEU 62 19.308 -0.402 -3.065 462 HB2 LEU 62 HB2 LEU 62 17.504 1.748 -2.909 463 HB3 LEU 62 HB3 LEU 62 18.029 1.662 -4.568 464 HG LEU 62 HG LEU 62 15.946 0.539 -4.245 465 HD11 LEU 62 HD11 LEU 62 18.133 -1.446 -4.713 466 HD12 LEU 62 HD12 LEU 62 17.491 -0.310 -5.897 467 HD13 LEU 62 HD13 LEU 62 16.450 -1.580 -5.237 468 HD21 LEU 62 HD21 LEU 62 17.331 -1.339 -2.352 469 HD22 LEU 62 HD22 LEU 62 15.633 -1.373 -2.845 470 HD23 LEU 62 HD23 LEU 62 16.246 -0.032 -1.866 471 H ASP 63 H ASP 63 19.576 3.008 -4.023 472 HA ASP 63 HA ASP 63 21.155 2.395 -6.326 473 HB2 ASP 63 HB2 ASP 63 19.612 4.241 -6.419 474 HB3 ASP 63 HB3 ASP 63 20.409 5.047 -5.076 475 H ARG 64 H ARG 64 21.862 3.659 -3.139 476 HA ARG 64 HA ARG 64 24.529 4.492 -3.750 477 HB2 ARG 64 HB2 ARG 64 23.018 5.360 -1.893 478 HB3 ARG 64 HB3 ARG 64 23.394 3.880 -1.026 479 HG2 ARG 64 HG2 ARG 64 24.786 5.688 -0.244 480 HG3 ARG 64 HG3 ARG 64 25.769 4.468 -1.058 481 HD2 ARG 64 HD2 ARG 64 25.875 5.813 -3.050 482 HD3 ARG 64 HD3 ARG 64 24.762 6.991 -2.360 483 HE ARG 64 HE ARG 64 26.853 6.924 -0.613 484 HH11 ARG 64 HH11 ARG 64 26.500 7.465 -4.043 485 HH12 ARG 64 HH12 ARG 64 27.841 8.560 -4.145 486 HH21 ARG 64 HH21 ARG 64 28.637 8.359 -0.738 487 HH22 ARG 64 HH22 ARG 64 29.050 9.075 -2.265 488 H ASN 65 H ASN 65 23.043 1.610 -2.418 489 HA ASN 65 HA ASN 65 23.832 -0.405 -1.745 490 HB2 ASN 65 HB2 ASN 65 25.920 0.198 -3.846 491 HB3 ASN 65 HB3 ASN 65 25.684 -1.372 -3.087 492 HD21 ASN 65 HD21 ASN 65 24.497 0.900 -5.389 493 HD22 ASN 65 HD22 ASN 65 23.270 -0.108 -6.068 494 HA PRO 66 HA PRO 66 27.239 1.284 0.908 495 HB2 PRO 66 HB2 PRO 66 25.469 1.435 3.158 496 HB3 PRO 66 HB3 PRO 66 26.249 2.766 2.304 497 HG2 PRO 66 HG2 PRO 66 23.532 2.289 2.308 498 HG3 PRO 66 HG3 PRO 66 24.387 3.221 1.070 499 HD2 PRO 66 HD2 PRO 66 23.475 0.372 1.014 500 HD3 PRO 66 HD3 PRO 66 23.447 1.592 -0.279 501 H HIS 67 H HIS 67 24.738 -0.291 2.852 502 HA HIS 67 HA HIS 67 26.366 -2.737 2.872 503 HB2 HIS 67 HB2 HIS 67 25.038 -1.382 5.214 504 HB3 HIS 67 HB3 HIS 67 25.523 -3.073 5.257 505 HD1 HIS 67 HD1 HIS 67 27.867 -3.521 5.963 506 HD2 HIS 67 HD2 HIS 67 27.330 0.408 4.711 507 HE1 HIS 67 HE1 HIS 67 30.057 -2.359 6.396 508 HE2 HIS 67 HE2 HIS 67 29.677 0.038 5.726 509 H TYR 68 H TYR 68 23.199 -1.292 3.074 510 HA TYR 68 HA TYR 68 21.151 -1.906 2.520 511 HB2 TYR 68 HB2 TYR 68 20.899 -3.525 0.571 512 HB3 TYR 68 HB3 TYR 68 21.781 -2.035 0.301 513 HD1 TYR 68 HD1 TYR 68 22.071 -5.692 0.603 514 HD2 TYR 68 HD2 TYR 68 24.116 -2.068 -0.277 515 HE1 TYR 68 HE1 TYR 68 23.931 -6.981 -0.353 516 HE2 TYR 68 HE2 TYR 68 25.985 -3.347 -1.230 517 HH TYR 68 HH TYR 68 26.952 -5.611 -1.050 518 H HIS 69 H HIS 69 22.824 -5.027 2.668 519 HA HIS 69 HA HIS 69 20.616 -6.569 3.402 520 HB2 HIS 69 HB2 HIS 69 22.622 -7.640 2.647 521 HB3 HIS 69 HB3 HIS 69 23.574 -6.895 3.924 522 HD1 HIS 69 HD1 HIS 69 24.170 -8.497 5.692 523 HD2 HIS 69 HD2 HIS 69 20.502 -9.415 3.963 524 HE1 HIS 69 HE1 HIS 69 23.378 -10.583 6.849 525 HE2 HIS 69 HE2 HIS 69 21.154 -11.119 5.793 526 H GLU 70 H GLU 70 22.916 -4.774 5.356 527 HA GLU 70 HA GLU 70 21.087 -4.895 7.617 528 HB2 GLU 70 HB2 GLU 70 23.050 -5.372 9.138 529 HB3 GLU 70 HB3 GLU 70 22.534 -6.723 8.137 530 HG2 GLU 70 HG2 GLU 70 24.346 -6.255 6.571 531 HG3 GLU 70 HG3 GLU 70 24.867 -4.909 7.581 532 H TYR 71 H TYR 71 21.335 -3.138 9.048 533 HA TYR 71 HA TYR 71 22.441 -0.815 7.757 534 HB2 TYR 71 HB2 TYR 71 20.278 -0.645 8.889 535 HB3 TYR 71 HB3 TYR 71 21.027 -1.094 10.419 536 HD1 TYR 71 HD1 TYR 71 21.164 1.496 7.743 537 HD2 TYR 71 HD2 TYR 71 21.849 0.569 11.839 538 HE1 TYR 71 HE1 TYR 71 21.654 3.863 8.191 539 HE2 TYR 71 HE2 TYR 71 22.339 2.933 12.298 540 HH TYR 71 HH TYR 71 23.099 4.919 11.091 541 H HIS 72 H HIS 72 24.544 -0.594 7.827 542 HA HIS 72 HA HIS 72 26.606 -0.106 8.597 543 HB2 HIS 72 HB2 HIS 72 25.303 1.421 10.106 544 HB3 HIS 72 HB3 HIS 72 25.357 0.161 11.333 545 HD1 HIS 72 HD1 HIS 72 27.298 2.922 9.897 546 HD2 HIS 72 HD2 HIS 72 28.017 -0.365 12.338 547 HE1 HIS 72 HE1 HIS 72 29.548 3.331 10.938 548 HE2 HIS 72 HE2 HIS 72 30.016 1.276 12.317 549 H THR 73 H THR 73 27.723 -1.937 8.297 550 HA THR 73 HA THR 73 27.709 -4.023 10.320 551 HB THR 73 HB THR 73 29.454 -3.841 7.855 552 HG1 THR 73 HG1 THR 73 26.971 -5.232 8.143 553 HG21 THR 73 HG21 THR 73 29.601 -6.276 8.108 554 HG22 THR 73 HG22 THR 73 28.596 -6.191 9.554 555 HG23 THR 73 HG23 THR 73 30.197 -5.452 9.549 Start of MODEL 12 1 H1 GLN -1 H1 GLN -1 -1.079 9.525 -14.828 2 H2 GLN -1 H2 GLN -1 -1.835 9.330 -13.331 3 H3 GLN -1 H3 GLN -1 -0.180 9.022 -13.488 4 HA GLN -1 HA GLN -1 0.257 11.324 -13.960 5 HB2 GLN -1 HB2 GLN -1 -2.682 11.754 -13.378 6 HB3 GLN -1 HB3 GLN -1 -1.501 12.994 -13.773 7 HG2 GLN -1 HG2 GLN -1 -2.507 10.818 -15.590 8 HG3 GLN -1 HG3 GLN -1 -2.878 12.537 -15.686 9 HE21 GLN -1 HE21 GLN -1 -1.350 13.953 -16.508 10 HE22 GLN -1 HE22 GLN -1 0.060 13.408 -17.351 11 H SER 0 H SER 0 -2.452 11.235 -11.674 12 HA SER 0 HA SER 0 -0.633 11.793 -9.479 13 HB2 SER 0 HB2 SER 0 -2.901 11.832 -8.210 14 HB3 SER 0 HB3 SER 0 -2.575 13.118 -9.370 15 HG SER 0 HG SER 0 -4.668 11.654 -9.356 16 H MET 1 H MET 1 -0.651 10.475 -7.521 17 HA MET 1 HA MET 1 -0.448 7.716 -8.149 18 HB2 MET 1 HB2 MET 1 -0.642 8.766 -5.351 19 HB3 MET 1 HB3 MET 1 0.187 7.335 -5.910 20 HG2 MET 1 HG2 MET 1 1.853 8.909 -5.364 21 HG3 MET 1 HG3 MET 1 1.784 8.827 -7.122 22 HE1 MET 1 HE1 MET 1 2.727 12.583 -6.281 23 HE2 MET 1 HE2 MET 1 3.245 11.122 -7.120 24 HE3 MET 1 HE3 MET 1 3.189 11.154 -5.358 25 H ALA 2 H ALA 2 -1.840 6.162 -7.976 26 HA ALA 2 HA ALA 2 -4.488 6.706 -6.817 27 HB1 ALA 2 HB1 ALA 2 -5.507 5.409 -8.581 28 HB2 ALA 2 HB2 ALA 2 -3.923 5.029 -9.254 29 HB3 ALA 2 HB3 ALA 2 -4.519 6.686 -9.288 30 H LEU 3 H LEU 3 -1.856 4.519 -7.172 31 HA LEU 3 HA LEU 3 -3.309 2.344 -5.885 32 HB2 LEU 3 HB2 LEU 3 -0.506 2.465 -7.011 33 HB3 LEU 3 HB3 LEU 3 -1.234 1.049 -6.299 34 HG LEU 3 HG LEU 3 -3.060 1.370 -8.110 35 HD11 LEU 3 HD11 LEU 3 -2.196 2.379 -10.146 36 HD12 LEU 3 HD12 LEU 3 -0.749 2.873 -9.264 37 HD13 LEU 3 HD13 LEU 3 -2.319 3.533 -8.819 38 HD21 LEU 3 HD21 LEU 3 -1.744 0.016 -9.685 39 HD22 LEU 3 HD22 LEU 3 -1.563 -0.545 -8.023 40 HD23 LEU 3 HD23 LEU 3 -0.281 0.402 -8.779 41 H HIS 4 H HIS 4 -2.698 1.477 -3.957 42 HA HIS 4 HA HIS 4 -1.592 3.426 -2.127 43 HB2 HIS 4 HB2 HIS 4 -2.761 0.692 -1.722 44 HB3 HIS 4 HB3 HIS 4 -2.044 1.601 -0.415 45 HD1 HIS 4 HD1 HIS 4 -3.855 2.470 0.987 46 HD2 HIS 4 HD2 HIS 4 -4.790 2.752 -3.056 47 HE1 HIS 4 HE1 HIS 4 -6.113 3.569 0.891 48 HE2 HIS 4 HE2 HIS 4 -6.627 3.824 -1.560 49 H TYR 5 H TYR 5 0.389 3.497 -1.501 50 HA TYR 5 HA TYR 5 2.264 1.472 -2.454 51 HB2 TYR 5 HB2 TYR 5 2.421 4.377 -1.843 52 HB3 TYR 5 HB3 TYR 5 3.876 3.422 -1.555 53 HD1 TYR 5 HD1 TYR 5 4.990 4.860 -3.211 54 HD2 TYR 5 HD2 TYR 5 1.729 2.351 -4.291 55 HE1 TYR 5 HE1 TYR 5 5.630 5.055 -5.570 56 HE2 TYR 5 HE2 TYR 5 2.357 2.549 -6.656 57 HH TYR 5 HH TYR 5 3.592 4.065 -8.114 58 H TYR 6 H TYR 6 2.935 -0.010 -1.079 59 HA TYR 6 HA TYR 6 3.609 0.840 1.655 60 HB2 TYR 6 HB2 TYR 6 2.380 -1.827 0.896 61 HB3 TYR 6 HB3 TYR 6 2.906 -1.353 2.511 62 HD1 TYR 6 HD1 TYR 6 1.700 0.511 3.699 63 HD2 TYR 6 HD2 TYR 6 0.256 -1.170 0.064 64 HE1 TYR 6 HE1 TYR 6 -0.513 1.492 4.127 65 HE2 TYR 6 HE2 TYR 6 -1.955 -0.193 0.487 66 HH TYR 6 HH TYR 6 -2.503 2.182 2.848 67 H CYS 7 H CYS 7 5.611 0.096 2.376 68 HA CYS 7 HA CYS 7 7.300 -0.394 0.131 69 HB2 CYS 7 HB2 CYS 7 7.963 1.186 1.942 70 HB3 CYS 7 HB3 CYS 7 8.207 -0.199 2.986 71 H ARG 8 H ARG 8 8.421 -2.003 -0.471 72 HA ARG 8 HA ARG 8 8.259 -4.632 0.442 73 HB2 ARG 8 HB2 ARG 8 9.077 -3.933 -1.779 74 HB3 ARG 8 HB3 ARG 8 10.484 -3.190 -1.039 75 HG2 ARG 8 HG2 ARG 8 9.942 -6.117 -0.730 76 HG3 ARG 8 HG3 ARG 8 10.721 -5.478 -2.180 77 HD2 ARG 8 HD2 ARG 8 11.698 -5.236 0.663 78 HD3 ARG 8 HD3 ARG 8 12.396 -6.228 -0.612 79 HE ARG 8 HE ARG 8 12.422 -3.598 -1.519 80 HH11 ARG 8 HH11 ARG 8 13.852 -5.476 1.069 81 HH12 ARG 8 HH12 ARG 8 15.287 -4.500 1.155 82 HH21 ARG 8 HH21 ARG 8 14.329 -2.324 -1.409 83 HH22 ARG 8 HH22 ARG 8 15.553 -2.718 -0.246 84 H HIS 9 H HIS 9 8.781 -5.271 2.408 85 HA HIS 9 HA HIS 9 10.231 -6.076 3.990 86 HB2 HIS 9 HB2 HIS 9 12.154 -5.672 2.477 87 HB3 HIS 9 HB3 HIS 9 12.247 -4.020 3.072 88 HD1 HIS 9 HD1 HIS 9 14.053 -3.767 4.743 89 HD2 HIS 9 HD2 HIS 9 12.312 -7.540 4.898 90 HE1 HIS 9 HE1 HIS 9 15.288 -5.009 6.546 91 HE2 HIS 9 HE2 HIS 9 14.150 -7.253 6.696 92 H CYS 10 H CYS 10 10.247 -2.528 3.646 93 HA CYS 10 HA CYS 10 10.366 -2.070 6.459 94 HB2 CYS 10 HB2 CYS 10 9.328 -0.286 4.272 95 HB3 CYS 10 HB3 CYS 10 9.641 0.230 5.916 96 H GLY 11 H GLY 11 7.771 -2.343 4.103 97 HA2 GLY 11 HA2 GLY 11 5.509 -2.661 4.384 98 HA3 GLY 11 HA3 GLY 11 5.781 -2.762 6.131 99 H VAL 12 H VAL 12 7.190 0.002 4.771 100 HA VAL 12 HA VAL 12 5.430 1.631 6.263 101 HB VAL 12 HB VAL 12 7.651 2.334 6.386 102 HG11 VAL 12 HG11 VAL 12 9.043 2.919 4.502 103 HG12 VAL 12 HG12 VAL 12 7.720 2.568 3.390 104 HG13 VAL 12 HG13 VAL 12 8.460 1.268 4.317 105 HG21 VAL 12 HG21 VAL 12 7.624 4.595 5.557 106 HG22 VAL 12 HG22 VAL 12 6.050 4.154 6.220 107 HG23 VAL 12 HG23 VAL 12 6.299 4.183 4.475 108 H LYS 13 H LYS 13 3.938 3.018 5.689 109 HA LYS 13 HA LYS 13 2.629 2.683 3.188 110 HB2 LYS 13 HB2 LYS 13 2.185 4.833 5.269 111 HB3 LYS 13 HB3 LYS 13 1.069 4.379 3.996 112 HG2 LYS 13 HG2 LYS 13 0.135 3.307 5.768 113 HG3 LYS 13 HG3 LYS 13 1.196 2.031 5.181 114 HD2 LYS 13 HD2 LYS 13 2.840 2.561 6.861 115 HD3 LYS 13 HD3 LYS 13 1.920 3.976 7.373 116 HE2 LYS 13 HE2 LYS 13 0.985 1.113 7.573 117 HE3 LYS 13 HE3 LYS 13 1.651 2.061 8.900 118 HZ1 LYS 13 HZ1 LYS 13 -0.823 2.730 7.396 119 HZ2 LYS 13 HZ2 LYS 13 -0.201 3.588 8.714 120 HZ3 LYS 13 HZ3 LYS 13 -0.777 2.015 8.926 121 H VAL 14 H VAL 14 3.860 3.342 1.483 122 HA VAL 14 HA VAL 14 5.119 5.971 1.571 123 HB VAL 14 HB VAL 14 5.422 4.822 -1.011 124 HG11 VAL 14 HG11 VAL 14 7.349 5.149 1.282 125 HG12 VAL 14 HG12 VAL 14 6.973 6.352 0.052 126 HG13 VAL 14 HG13 VAL 14 7.797 4.863 -0.396 127 HG21 VAL 14 HG21 VAL 14 6.110 2.894 1.212 128 HG22 VAL 14 HG22 VAL 14 6.602 2.739 -0.474 129 HG23 VAL 14 HG23 VAL 14 4.897 2.643 -0.043 130 H GLY 15 H GLY 15 2.134 4.894 0.957 131 HA2 GLY 15 HA2 GLY 15 1.612 6.546 -1.393 132 HA3 GLY 15 HA3 GLY 15 0.452 5.515 -0.565 133 H SER 16 H SER 16 2.539 7.793 1.028 134 HA SER 16 HA SER 16 2.204 9.648 2.251 135 HB2 SER 16 HB2 SER 16 1.178 10.615 0.227 136 HB3 SER 16 HB3 SER 16 -0.388 9.970 0.724 137 HG SER 16 HG SER 16 0.612 12.277 1.387 138 H LEU 17 H LEU 17 1.895 9.409 4.297 139 HA LEU 17 HA LEU 17 -0.565 8.171 5.313 140 HB2 LEU 17 HB2 LEU 17 0.673 8.013 7.445 141 HB3 LEU 17 HB3 LEU 17 1.473 7.173 6.130 142 HG LEU 17 HG LEU 17 2.380 9.942 6.501 143 HD11 LEU 17 HD11 LEU 17 3.724 9.445 8.471 144 HD12 LEU 17 HD12 LEU 17 2.937 7.875 8.619 145 HD13 LEU 17 HD13 LEU 17 2.002 9.355 8.832 146 HD21 LEU 17 HD21 LEU 17 3.447 8.402 4.957 147 HD22 LEU 17 HD22 LEU 17 3.775 7.279 6.273 148 HD23 LEU 17 HD23 LEU 17 4.565 8.855 6.242 149 H GLU 18 H GLU 18 0.758 11.086 4.654 150 HA GLU 18 HA GLU 18 0.215 12.674 6.885 151 HB2 GLU 18 HB2 GLU 18 0.286 13.405 3.955 152 HB3 GLU 18 HB3 GLU 18 0.282 14.565 5.277 153 HG2 GLU 18 HG2 GLU 18 2.401 13.675 6.079 154 HG3 GLU 18 HG3 GLU 18 2.403 12.488 4.775 155 H SER 19 H SER 19 -1.502 13.895 7.498 156 HA SER 19 HA SER 19 -4.100 12.987 6.864 157 HB2 SER 19 HB2 SER 19 -3.307 15.569 8.229 158 HB3 SER 19 HB3 SER 19 -4.868 14.758 8.338 159 HG SER 19 HG SER 19 -3.818 13.009 9.358 160 H SER 20 H SER 20 -5.798 14.113 5.831 161 HA SER 20 HA SER 20 -6.797 15.390 4.246 162 HB2 SER 20 HB2 SER 20 -5.607 17.326 5.262 163 HB3 SER 20 HB3 SER 20 -4.255 17.031 4.174 164 HG SER 20 HG SER 20 -6.017 17.219 2.473 165 H MET 21 H MET 21 -3.916 13.713 3.841 166 HA MET 21 HA MET 21 -4.233 13.676 0.920 167 HB2 MET 21 HB2 MET 21 -1.945 12.715 2.652 168 HB3 MET 21 HB3 MET 21 -2.010 12.559 0.902 169 HG2 MET 21 HG2 MET 21 -2.103 15.008 0.711 170 HG3 MET 21 HG3 MET 21 -1.967 15.129 2.464 171 HE1 MET 21 HE1 MET 21 0.150 16.724 2.283 172 HE2 MET 21 HE2 MET 21 -0.062 16.677 0.534 173 HE3 MET 21 HE3 MET 21 1.526 16.380 1.237 174 H VAL 22 H VAL 22 -3.971 11.680 3.810 175 HA VAL 22 HA VAL 22 -4.935 9.296 2.594 176 HB VAL 22 HB VAL 22 -4.992 10.215 5.481 177 HG11 VAL 22 HG11 VAL 22 -5.464 7.905 6.071 178 HG12 VAL 22 HG12 VAL 22 -5.567 7.480 4.363 179 HG13 VAL 22 HG13 VAL 22 -6.750 8.579 5.071 180 HG21 VAL 22 HG21 VAL 22 -3.141 8.640 5.761 181 HG22 VAL 22 HG22 VAL 22 -2.754 9.901 4.591 182 HG23 VAL 22 HG23 VAL 22 -3.187 8.284 4.035 183 H SER 23 H SER 23 -6.890 9.141 1.676 184 HA SER 23 HA SER 23 -8.956 11.054 2.432 185 HB2 SER 23 HB2 SER 23 -8.896 9.064 0.154 186 HB3 SER 23 HB3 SER 23 -10.071 10.359 0.378 187 HG SER 23 HG SER 23 -8.036 11.736 0.408 188 H THR 24 H THR 24 -8.066 8.170 3.530 189 HA THR 24 HA THR 24 -9.020 6.401 4.583 190 HB THR 24 HB THR 24 -11.567 8.009 4.787 191 HG1 THR 24 HG1 THR 24 -10.338 9.470 5.729 192 HG21 THR 24 HG21 THR 24 -11.736 6.873 6.962 193 HG22 THR 24 HG22 THR 24 -10.214 6.041 6.641 194 HG23 THR 24 HG23 THR 24 -11.626 5.710 5.639 195 H ASP 25 H ASP 25 -8.951 6.239 1.913 196 HA ASP 25 HA ASP 25 -11.583 5.464 0.897 197 HB2 ASP 25 HB2 ASP 25 -10.541 5.434 -1.276 198 HB3 ASP 25 HB3 ASP 25 -10.011 6.892 -0.449 199 H SER 26 H SER 26 -9.069 4.200 2.525 200 HA SER 26 HA SER 26 -8.587 1.744 1.202 201 HB2 SER 26 HB2 SER 26 -6.939 2.796 2.654 202 HB3 SER 26 HB3 SER 26 -8.012 2.616 4.035 203 HG SER 26 HG SER 26 -7.750 0.217 2.966 204 H LEU 27 H LEU 27 -11.222 1.660 1.193 205 HA LEU 27 HA LEU 27 -11.813 -0.412 3.201 206 HB2 LEU 27 HB2 LEU 27 -13.687 1.397 1.694 207 HB3 LEU 27 HB3 LEU 27 -14.229 -0.063 2.499 208 HG LEU 27 HG LEU 27 -13.032 2.373 3.781 209 HD11 LEU 27 HD11 LEU 27 -15.383 2.554 3.138 210 HD12 LEU 27 HD12 LEU 27 -15.174 2.554 4.889 211 HD13 LEU 27 HD13 LEU 27 -15.736 1.098 4.069 212 HD21 LEU 27 HD21 LEU 27 -12.159 0.464 4.947 213 HD22 LEU 27 HD22 LEU 27 -13.760 -0.269 5.014 214 HD23 LEU 27 HD23 LEU 27 -13.426 1.202 5.926 215 H GLY 28 H GLY 28 -12.884 -2.262 2.506 216 HA2 GLY 28 HA2 GLY 28 -13.474 -2.972 -0.118 217 HA3 GLY 28 HA3 GLY 28 -11.788 -3.396 0.182 218 H PHE 29 H PHE 29 -15.083 -4.132 0.888 219 HA PHE 29 HA PHE 29 -14.603 -5.704 3.171 220 HB2 PHE 29 HB2 PHE 29 -16.959 -5.301 1.358 221 HB3 PHE 29 HB3 PHE 29 -16.984 -6.502 2.628 222 HD1 PHE 29 HD1 PHE 29 -15.697 -2.953 2.584 223 HD2 PHE 29 HD2 PHE 29 -18.367 -5.828 4.270 224 HE1 PHE 29 HE1 PHE 29 -16.459 -1.298 4.227 225 HE2 PHE 29 HE2 PHE 29 -19.118 -4.171 5.910 226 HZ PHE 29 HZ PHE 29 -18.168 -1.899 5.893 227 H GLN 30 H GLN 30 -15.704 -7.933 3.030 228 HA GLN 30 HA GLN 30 -14.444 -9.550 0.949 229 HB2 GLN 30 HB2 GLN 30 -13.878 -10.029 3.874 230 HB3 GLN 30 HB3 GLN 30 -13.109 -10.774 2.491 231 HG2 GLN 30 HG2 GLN 30 -12.281 -8.448 1.924 232 HG3 GLN 30 HG3 GLN 30 -12.770 -8.002 3.544 233 HE21 GLN 30 HE21 GLN 30 -11.659 -8.824 5.304 234 HE22 GLN 30 HE22 GLN 30 -10.097 -9.550 5.149 235 H HIS 31 H HIS 31 -15.921 -9.574 4.110 236 HA HIS 31 HA HIS 31 -17.604 -11.851 3.282 237 HB2 HIS 31 HB2 HIS 31 -16.510 -11.118 5.991 238 HB3 HIS 31 HB3 HIS 31 -17.830 -12.258 5.787 239 HD1 HIS 31 HD1 HIS 31 -17.259 -14.604 5.003 240 HD2 HIS 31 HD2 HIS 31 -13.990 -12.039 5.021 241 HE1 HIS 31 HE1 HIS 31 -15.250 -16.068 4.643 242 HE2 HIS 31 HE2 HIS 31 -13.315 -14.471 4.460 243 H LEU 32 H LEU 32 -19.389 -10.930 2.554 244 HA LEU 32 HA LEU 32 -21.041 -9.447 4.400 245 HB2 LEU 32 HB2 LEU 32 -21.517 -7.663 2.742 246 HB3 LEU 32 HB3 LEU 32 -19.948 -7.566 3.446 247 HG LEU 32 HG LEU 32 -20.564 -8.590 0.670 248 HD11 LEU 32 HD11 LEU 32 -19.738 -6.497 -0.131 249 HD12 LEU 32 HD12 LEU 32 -19.299 -5.991 1.501 250 HD13 LEU 32 HD13 LEU 32 -20.996 -6.173 1.065 251 HD21 LEU 32 HD21 LEU 32 -18.534 -9.601 1.361 252 HD22 LEU 32 HD22 LEU 32 -17.971 -8.112 2.111 253 HD23 LEU 32 HD23 LEU 32 -18.087 -8.222 0.355 254 H THR 33 H THR 33 -23.202 -9.374 3.813 255 HA THR 33 HA THR 33 -24.006 -11.543 2.072 256 HB THR 33 HB THR 33 -26.332 -10.745 2.935 257 HG1 THR 33 HG1 THR 33 -25.296 -9.846 5.244 258 HG21 THR 33 HG21 THR 33 -26.090 -12.065 4.946 259 HG22 THR 33 HG22 THR 33 -24.336 -11.910 4.871 260 HG23 THR 33 HG23 THR 33 -25.196 -12.818 3.629 261 H ASN 34 H ASN 34 -26.253 -10.922 0.907 262 HA ASN 34 HA ASN 34 -25.636 -9.206 -1.210 263 HB2 ASN 34 HB2 ASN 34 -28.374 -10.023 -0.202 264 HB3 ASN 34 HB3 ASN 34 -28.068 -9.244 -1.748 265 HD21 ASN 34 HD21 ASN 34 -28.003 -12.172 0.035 266 HD22 ASN 34 HD22 ASN 34 -27.524 -13.208 -1.264 267 H GLU 35 H GLU 35 -27.144 -8.602 1.889 268 HA GLU 35 HA GLU 35 -28.061 -5.993 1.144 269 HB2 GLU 35 HB2 GLU 35 -28.642 -5.766 3.553 270 HB3 GLU 35 HB3 GLU 35 -29.380 -7.131 2.730 271 HG2 GLU 35 HG2 GLU 35 -27.638 -8.591 3.672 272 HG3 GLU 35 HG3 GLU 35 -27.015 -7.200 4.553 273 H GLU 36 H GLU 36 -25.254 -7.208 3.006 274 HA GLU 36 HA GLU 36 -24.412 -4.587 3.750 275 HB2 GLU 36 HB2 GLU 36 -22.999 -7.246 3.646 276 HB3 GLU 36 HB3 GLU 36 -22.223 -5.778 4.219 277 HG2 GLU 36 HG2 GLU 36 -23.916 -5.602 5.983 278 HG3 GLU 36 HG3 GLU 36 -24.653 -7.099 5.406 279 H ARG 37 H ARG 37 -24.031 -6.663 1.017 280 HA ARG 37 HA ARG 37 -21.940 -5.270 -0.269 281 HB2 ARG 37 HB2 ARG 37 -22.546 -7.608 -0.728 282 HB3 ARG 37 HB3 ARG 37 -24.099 -7.077 -1.353 283 HG2 ARG 37 HG2 ARG 37 -22.952 -5.849 -3.115 284 HG3 ARG 37 HG3 ARG 37 -21.408 -6.444 -2.505 285 HD2 ARG 37 HD2 ARG 37 -23.681 -8.088 -3.602 286 HD3 ARG 37 HD3 ARG 37 -22.108 -7.827 -4.355 287 HE ARG 37 HE ARG 37 -21.187 -9.018 -2.338 288 HH11 ARG 37 HH11 ARG 37 -24.429 -9.641 -3.519 289 HH12 ARG 37 HH12 ARG 37 -24.487 -11.248 -2.868 290 HH21 ARG 37 HH21 ARG 37 -21.280 -11.134 -1.473 291 HH22 ARG 37 HH22 ARG 37 -22.704 -12.097 -1.720 292 H ASN 38 H ASN 38 -25.429 -4.937 -0.138 293 HA ASN 38 HA ASN 38 -25.700 -3.246 -2.394 294 HB2 ASN 38 HB2 ASN 38 -27.598 -4.451 -1.319 295 HB3 ASN 38 HB3 ASN 38 -27.472 -3.361 0.058 296 HD21 ASN 38 HD21 ASN 38 -29.561 -2.599 -0.251 297 HD22 ASN 38 HD22 ASN 38 -29.967 -1.524 -1.542 298 H ASP 39 H ASP 39 -25.311 -2.591 1.071 299 HA ASP 39 HA ASP 39 -25.340 0.220 0.917 300 HB2 ASP 39 HB2 ASP 39 -23.966 -1.630 2.877 301 HB3 ASP 39 HB3 ASP 39 -24.040 0.116 3.076 302 H MET 40 H MET 40 -22.808 -2.135 0.421 303 HA MET 40 HA MET 40 -20.755 -0.066 0.226 304 HB2 MET 40 HB2 MET 40 -20.393 -2.182 1.528 305 HB3 MET 40 HB3 MET 40 -20.480 -3.073 0.016 306 HG2 MET 40 HG2 MET 40 -18.188 -2.770 0.664 307 HG3 MET 40 HG3 MET 40 -18.519 -1.846 -0.800 308 HE1 MET 40 HE1 MET 40 -16.258 -0.542 -0.432 309 HE2 MET 40 HE2 MET 40 -15.940 -1.418 1.065 310 HE3 MET 40 HE3 MET 40 -15.854 0.342 1.039 311 H ILE 41 H ILE 41 -23.008 -1.034 -1.777 312 HA ILE 41 HA ILE 41 -23.331 -1.065 -4.021 313 HB ILE 41 HB ILE 41 -20.430 -0.233 -4.243 314 HG12 ILE 41 HG12 ILE 41 -21.766 1.410 -3.009 315 HG13 ILE 41 HG13 ILE 41 -21.322 2.035 -4.594 316 HG21 ILE 41 HG21 ILE 41 -22.642 -0.175 -6.293 317 HG22 ILE 41 HG22 ILE 41 -21.233 -1.235 -6.304 318 HG23 ILE 41 HG23 ILE 41 -21.029 0.504 -6.506 319 HD11 ILE 41 HD11 ILE 41 -23.569 1.466 -5.414 320 HD12 ILE 41 HD12 ILE 41 -23.596 2.617 -4.079 321 HD13 ILE 41 HD13 ILE 41 -24.000 0.926 -3.792 322 H SER 42 H SER 42 -19.958 -2.138 -3.743 323 HA SER 42 HA SER 42 -20.092 -4.825 -3.724 324 HB2 SER 42 HB2 SER 42 -21.564 -4.728 -5.745 325 HB3 SER 42 HB3 SER 42 -20.251 -3.959 -6.629 326 HG SER 42 HG SER 42 -19.065 -5.812 -6.498 327 H TYR 43 H TYR 43 -18.763 -2.001 -5.176 328 HA TYR 43 HA TYR 43 -16.252 -3.211 -5.894 329 HB2 TYR 43 HB2 TYR 43 -17.292 -1.473 -7.286 330 HB3 TYR 43 HB3 TYR 43 -17.175 -0.333 -5.954 331 HD1 TYR 43 HD1 TYR 43 -15.424 1.164 -6.009 332 HD2 TYR 43 HD2 TYR 43 -14.948 -2.603 -7.927 333 HE1 TYR 43 HE1 TYR 43 -13.215 1.864 -6.824 334 HE2 TYR 43 HE2 TYR 43 -12.734 -1.913 -8.745 335 HH TYR 43 HH TYR 43 -11.517 0.157 -9.226 336 H LYS 44 H LYS 44 -14.302 -2.904 -4.922 337 HA LYS 44 HA LYS 44 -14.271 -2.080 -2.160 338 HB2 LYS 44 HB2 LYS 44 -11.973 -2.837 -3.985 339 HB3 LYS 44 HB3 LYS 44 -11.911 -2.720 -2.231 340 HG2 LYS 44 HG2 LYS 44 -13.452 -4.569 -2.014 341 HG3 LYS 44 HG3 LYS 44 -13.638 -4.652 -3.764 342 HD2 LYS 44 HD2 LYS 44 -12.133 -6.385 -3.098 343 HD3 LYS 44 HD3 LYS 44 -11.193 -5.141 -3.922 344 HE2 LYS 44 HE2 LYS 44 -10.457 -4.251 -1.795 345 HE3 LYS 44 HE3 LYS 44 -11.465 -5.412 -0.934 346 HZ1 LYS 44 HZ1 LYS 44 -10.135 -7.200 -1.882 347 HZ2 LYS 44 HZ2 LYS 44 -9.171 -6.132 -0.990 348 HZ3 LYS 44 HZ3 LYS 44 -9.156 -6.074 -2.686 349 H GLU 45 H GLU 45 -14.214 -0.027 -1.614 350 HA GLU 45 HA GLU 45 -14.114 2.101 -3.344 351 HB2 GLU 45 HB2 GLU 45 -13.614 1.973 -0.382 352 HB3 GLU 45 HB3 GLU 45 -13.725 3.481 -1.264 353 HG2 GLU 45 HG2 GLU 45 -15.879 1.441 -1.302 354 HG3 GLU 45 HG3 GLU 45 -15.809 2.727 -0.109 355 H ASN 46 H ASN 46 -11.389 0.555 -1.784 356 HA ASN 46 HA ASN 46 -9.631 2.786 -2.198 357 HB2 ASN 46 HB2 ASN 46 -7.912 1.464 -1.245 358 HB3 ASN 46 HB3 ASN 46 -9.380 1.053 -0.368 359 HD21 ASN 46 HD21 ASN 46 -10.280 -0.983 -0.612 360 HD22 ASN 46 HD22 ASN 46 -9.393 -2.290 -1.324 361 H GLY 47 H GLY 47 -10.926 0.574 -4.293 362 HA2 GLY 47 HA2 GLY 47 -10.504 0.453 -6.587 363 HA3 GLY 47 HA3 GLY 47 -8.954 1.256 -6.320 364 H ASP 48 H ASP 48 -9.120 -1.086 -4.083 365 HA ASP 48 HA ASP 48 -7.923 -2.959 -3.707 366 HB2 ASP 48 HB2 ASP 48 -9.821 -3.879 -5.033 367 HB3 ASP 48 HB3 ASP 48 -8.843 -3.712 -6.482 368 H VAL 49 H VAL 49 -6.380 -0.873 -4.429 369 HA VAL 49 HA VAL 49 -4.362 -2.067 -6.190 370 HB VAL 49 HB VAL 49 -3.552 0.386 -6.347 371 HG11 VAL 49 HG11 VAL 49 -5.201 0.835 -8.182 372 HG12 VAL 49 HG12 VAL 49 -6.089 -0.592 -7.651 373 HG13 VAL 49 HG13 VAL 49 -4.443 -0.754 -8.258 374 HG21 VAL 49 HG21 VAL 49 -6.413 0.828 -5.481 375 HG22 VAL 49 HG22 VAL 49 -5.341 2.063 -6.130 376 HG23 VAL 49 HG23 VAL 49 -4.975 1.305 -4.579 377 H HIS 50 H HIS 50 -3.226 -3.176 -4.695 378 HA HIS 50 HA HIS 50 -1.989 -1.659 -2.491 379 HB2 HIS 50 HB2 HIS 50 -3.652 -3.395 -1.757 380 HB3 HIS 50 HB3 HIS 50 -2.657 -4.616 -2.534 381 HD1 HIS 50 HD1 HIS 50 -3.123 -2.850 0.610 382 HD2 HIS 50 HD2 HIS 50 -0.028 -4.891 -1.266 383 HE1 HIS 50 HE1 HIS 50 -1.471 -3.387 2.424 384 HE2 HIS 50 HE2 HIS 50 0.293 -4.787 1.297 385 H VAL 51 H VAL 51 -0.059 -1.172 -3.470 386 HA VAL 51 HA VAL 51 1.384 -3.401 -4.733 387 HB VAL 51 HB VAL 51 2.739 -1.583 -5.862 388 HG11 VAL 51 HG11 VAL 51 -0.214 -1.617 -6.480 389 HG12 VAL 51 HG12 VAL 51 0.937 -2.859 -6.980 390 HG13 VAL 51 HG13 VAL 51 1.093 -1.212 -7.594 391 HG21 VAL 51 HG21 VAL 51 2.192 0.254 -4.392 392 HG22 VAL 51 HG22 VAL 51 0.490 0.132 -4.837 393 HG23 VAL 51 HG23 VAL 51 1.683 0.618 -6.040 394 H LEU 52 H LEU 52 3.358 -3.962 -4.095 395 HA LEU 52 HA LEU 52 4.450 -2.658 -1.715 396 HB2 LEU 52 HB2 LEU 52 5.117 -5.296 -3.040 397 HB3 LEU 52 HB3 LEU 52 5.980 -4.652 -1.656 398 HG LEU 52 HG LEU 52 4.481 -6.289 -0.830 399 HD11 LEU 52 HD11 LEU 52 4.616 -4.259 0.514 400 HD12 LEU 52 HD12 LEU 52 3.035 -5.027 0.655 401 HD13 LEU 52 HD13 LEU 52 3.230 -3.593 -0.351 402 HD21 LEU 52 HD21 LEU 52 2.993 -6.445 -2.754 403 HD22 LEU 52 HD22 LEU 52 2.270 -4.894 -2.329 404 HD23 LEU 52 HD23 LEU 52 2.080 -6.279 -1.254 405 H THR 53 H THR 53 5.829 -1.073 -2.115 406 HA THR 53 HA THR 53 7.587 -1.319 -4.469 407 HB THR 53 HB THR 53 5.733 0.336 -4.770 408 HG1 THR 53 HG1 THR 53 7.251 1.078 -6.043 409 HG21 THR 53 HG21 THR 53 7.162 1.829 -2.570 410 HG22 THR 53 HG22 THR 53 5.562 1.096 -2.450 411 HG23 THR 53 HG23 THR 53 5.832 2.451 -3.547 412 H ILE 54 H ILE 54 9.483 0.235 -4.304 413 HA ILE 54 HA ILE 54 10.719 -0.067 -1.696 414 HB ILE 54 HB ILE 54 11.653 0.374 -4.454 415 HG12 ILE 54 HG12 ILE 54 13.032 -0.908 -2.099 416 HG13 ILE 54 HG13 ILE 54 11.824 -1.716 -3.072 417 HG21 ILE 54 HG21 ILE 54 13.802 1.342 -3.816 418 HG22 ILE 54 HG22 ILE 54 13.210 1.565 -2.172 419 HG23 ILE 54 HG23 ILE 54 12.465 2.449 -3.501 420 HD11 ILE 54 HD11 ILE 54 14.094 -2.309 -3.735 421 HD12 ILE 54 HD12 ILE 54 14.415 -0.616 -4.104 422 HD13 ILE 54 HD13 ILE 54 13.215 -1.509 -5.035 423 H CYS 55 H CYS 55 10.718 1.468 -0.220 424 HA CYS 55 HA CYS 55 9.569 4.019 -0.724 425 HB2 CYS 55 HB2 CYS 55 9.906 4.482 1.611 426 HB3 CYS 55 HB3 CYS 55 9.393 2.807 1.467 427 H GLU 56 H GLU 56 10.703 6.091 -0.092 428 HA GLU 56 HA GLU 56 12.906 6.566 -1.717 429 HB2 GLU 56 HB2 GLU 56 11.282 8.232 -0.686 430 HB3 GLU 56 HB3 GLU 56 12.231 8.117 0.787 431 HG2 GLU 56 HG2 GLU 56 12.906 10.059 -0.388 432 HG3 GLU 56 HG3 GLU 56 14.209 8.879 -0.497 433 H ASP 57 H ASP 57 12.700 5.753 1.698 434 HA ASP 57 HA ASP 57 15.413 6.072 2.365 435 HB2 ASP 57 HB2 ASP 57 13.624 5.915 4.041 436 HB3 ASP 57 HB3 ASP 57 13.342 4.238 3.591 437 H CYS 58 H CYS 58 13.608 3.286 1.094 438 HA CYS 58 HA CYS 58 15.797 1.479 1.263 439 HB2 CYS 58 HB2 CYS 58 13.200 1.435 -0.218 440 HB3 CYS 58 HB3 CYS 58 14.455 0.289 -0.660 441 H GLN 59 H GLN 59 14.418 3.189 -1.546 442 HA GLN 59 HA GLN 59 16.156 2.449 -3.484 443 HB2 GLN 59 HB2 GLN 59 14.156 3.961 -3.745 444 HB3 GLN 59 HB3 GLN 59 15.195 5.288 -3.231 445 HG2 GLN 59 HG2 GLN 59 16.751 4.351 -5.138 446 HG3 GLN 59 HG3 GLN 59 15.222 3.723 -5.753 447 HE21 GLN 59 HE21 GLN 59 17.069 6.531 -5.004 448 HE22 GLN 59 HE22 GLN 59 16.091 7.651 -5.874 449 H GLU 60 H GLU 60 16.724 4.761 -0.945 450 HA GLU 60 HA GLU 60 19.030 5.952 -1.985 451 HB2 GLU 60 HB2 GLU 60 17.555 6.623 -0.016 452 HB3 GLU 60 HB3 GLU 60 18.473 5.498 0.932 453 HG2 GLU 60 HG2 GLU 60 19.355 7.664 1.296 454 HG3 GLU 60 HG3 GLU 60 20.489 6.741 0.330 455 H ALA 61 H ALA 61 18.679 3.501 0.521 456 HA ALA 61 HA ALA 61 21.337 2.669 0.679 457 HB1 ALA 61 HB1 ALA 61 19.587 2.072 2.294 458 HB2 ALA 61 HB2 ALA 61 20.433 0.644 1.698 459 HB3 ALA 61 HB3 ALA 61 18.826 1.040 1.084 460 H LEU 62 H LEU 62 18.809 2.059 -1.541 461 HA LEU 62 HA LEU 62 19.625 -0.361 -2.751 462 HB2 LEU 62 HB2 LEU 62 17.843 1.907 -3.305 463 HB3 LEU 62 HB3 LEU 62 18.351 1.025 -4.711 464 HG LEU 62 HG LEU 62 16.134 0.421 -3.559 465 HD11 LEU 62 HD11 LEU 62 16.292 -1.853 -4.270 466 HD12 LEU 62 HD12 LEU 62 18.052 -1.805 -4.180 467 HD13 LEU 62 HD13 LEU 62 17.203 -0.839 -5.387 468 HD21 LEU 62 HD21 LEU 62 16.979 0.217 -1.288 469 HD22 LEU 62 HD22 LEU 62 18.036 -1.101 -1.792 470 HD23 LEU 62 HD23 LEU 62 16.286 -1.307 -1.843 471 H ASP 63 H ASP 63 19.799 2.913 -4.086 472 HA ASP 63 HA ASP 63 21.465 2.294 -6.242 473 HB2 ASP 63 HB2 ASP 63 20.190 4.398 -6.087 474 HB3 ASP 63 HB3 ASP 63 21.259 4.948 -4.800 475 H ARG 64 H ARG 64 22.235 3.067 -2.936 476 HA ARG 64 HA ARG 64 25.015 3.463 -3.284 477 HB2 ARG 64 HB2 ARG 64 23.786 4.183 -1.264 478 HB3 ARG 64 HB3 ARG 64 23.516 2.499 -0.837 479 HG2 ARG 64 HG2 ARG 64 25.937 2.171 -0.638 480 HG3 ARG 64 HG3 ARG 64 26.188 3.872 -1.031 481 HD2 ARG 64 HD2 ARG 64 26.308 3.589 1.354 482 HD3 ARG 64 HD3 ARG 64 24.848 4.490 0.951 483 HE ARG 64 HE ARG 64 24.611 1.602 1.347 484 HH11 ARG 64 HH11 ARG 64 24.120 4.833 2.574 485 HH12 ARG 64 HH12 ARG 64 22.972 4.343 3.776 486 HH21 ARG 64 HH21 ARG 64 23.099 0.945 2.939 487 HH22 ARG 64 HH22 ARG 64 22.394 2.132 3.991 488 H ASN 65 H ASN 65 23.337 0.660 -1.818 489 HA ASN 65 HA ASN 65 25.379 -1.095 -2.993 490 HB2 ASN 65 HB2 ASN 65 24.626 -0.959 -0.070 491 HB3 ASN 65 HB3 ASN 65 25.489 -2.316 -0.781 492 HD21 ASN 65 HD21 ASN 65 26.271 -0.376 1.300 493 HD22 ASN 65 HD22 ASN 65 27.754 0.321 0.744 494 HA PRO 66 HA PRO 66 21.692 -3.348 -4.136 495 HB2 PRO 66 HB2 PRO 66 23.653 -5.567 -4.384 496 HB3 PRO 66 HB3 PRO 66 22.491 -4.952 -5.564 497 HG2 PRO 66 HG2 PRO 66 25.105 -4.437 -5.797 498 HG3 PRO 66 HG3 PRO 66 23.884 -3.228 -6.237 499 HD2 PRO 66 HD2 PRO 66 25.622 -3.386 -3.818 500 HD3 PRO 66 HD3 PRO 66 25.065 -1.965 -4.721 501 H HIS 67 H HIS 67 24.171 -4.790 -2.053 502 HA HIS 67 HA HIS 67 22.026 -6.090 -0.513 503 HB2 HIS 67 HB2 HIS 67 24.968 -6.765 -0.721 504 HB3 HIS 67 HB3 HIS 67 23.890 -7.485 0.465 505 HD1 HIS 67 HD1 HIS 67 24.844 -9.676 -0.933 506 HD2 HIS 67 HD2 HIS 67 22.031 -7.255 -2.802 507 HE1 HIS 67 HE1 HIS 67 23.864 -11.076 -2.777 508 HE2 HIS 67 HE2 HIS 67 22.033 -9.656 -3.767 509 H TYR 68 H TYR 68 21.837 -3.725 0.144 510 HA TYR 68 HA TYR 68 23.803 -2.560 1.827 511 HB2 TYR 68 HB2 TYR 68 22.083 -0.901 2.352 512 HB3 TYR 68 HB3 TYR 68 22.112 -1.228 0.622 513 HD1 TYR 68 HD1 TYR 68 20.191 -1.555 3.716 514 HD2 TYR 68 HD2 TYR 68 20.258 -2.407 -0.451 515 HE1 TYR 68 HE1 TYR 68 17.785 -2.051 3.786 516 HE2 TYR 68 HE2 TYR 68 17.850 -2.905 -0.390 517 HH TYR 68 HH TYR 68 15.885 -2.164 2.333 518 H HIS 69 H HIS 69 21.559 -5.037 2.355 519 HA HIS 69 HA HIS 69 21.788 -4.692 5.267 520 HB2 HIS 69 HB2 HIS 69 19.500 -4.132 4.313 521 HB3 HIS 69 HB3 HIS 69 19.367 -5.824 3.852 522 HD1 HIS 69 HD1 HIS 69 19.655 -3.657 6.938 523 HD2 HIS 69 HD2 HIS 69 18.498 -7.494 5.838 524 HE1 HIS 69 HE1 HIS 69 18.591 -4.655 8.985 525 HE2 HIS 69 HE2 HIS 69 17.908 -6.981 8.306 526 H GLU 70 H GLU 70 23.691 -6.116 4.118 527 HA GLU 70 HA GLU 70 22.906 -8.880 3.787 528 HB2 GLU 70 HB2 GLU 70 25.337 -9.275 3.395 529 HB3 GLU 70 HB3 GLU 70 24.617 -8.097 2.309 530 HG2 GLU 70 HG2 GLU 70 25.631 -6.290 3.468 531 HG3 GLU 70 HG3 GLU 70 26.164 -7.349 4.774 532 H TYR 71 H TYR 71 22.380 -7.813 6.356 533 HA TYR 71 HA TYR 71 24.278 -8.674 8.275 534 HB2 TYR 71 HB2 TYR 71 22.445 -7.100 8.793 535 HB3 TYR 71 HB3 TYR 71 21.271 -8.380 8.520 536 HD1 TYR 71 HD1 TYR 71 20.657 -9.829 10.267 537 HD2 TYR 71 HD2 TYR 71 24.102 -7.371 10.695 538 HE1 TYR 71 HE1 TYR 71 20.800 -10.452 12.642 539 HE2 TYR 71 HE2 TYR 71 24.257 -7.988 13.067 540 HH TYR 71 HH TYR 71 22.799 -8.803 14.851 541 H HIS 72 H HIS 72 21.363 -10.149 6.927 542 HA HIS 72 HA HIS 72 22.542 -12.788 7.351 543 HB2 HIS 72 HB2 HIS 72 21.023 -12.408 9.262 544 HB3 HIS 72 HB3 HIS 72 19.710 -12.055 8.146 545 HD1 HIS 72 HD1 HIS 72 21.664 -14.876 9.614 546 HD2 HIS 72 HD2 HIS 72 18.559 -14.308 6.906 547 HE1 HIS 72 HE1 HIS 72 20.653 -17.149 9.252 548 HE2 HIS 72 HE2 HIS 72 18.867 -16.803 7.514 549 H THR 73 H THR 73 22.917 -12.918 5.159 550 HA THR 73 HA THR 73 20.511 -13.160 3.507 551 HB THR 73 HB THR 73 21.434 -11.059 2.856 552 HG1 THR 73 HG1 THR 73 22.478 -12.790 0.875 553 HG21 THR 73 HG21 THR 73 23.754 -10.784 2.084 554 HG22 THR 73 HG22 THR 73 24.097 -12.447 2.559 555 HG23 THR 73 HG23 THR 73 23.666 -11.252 3.782 Start of MODEL 13 1 H1 GLN -1 H1 GLN -1 -1.030 15.580 -6.438 2 H2 GLN -1 H2 GLN -1 -1.916 14.345 -7.168 3 H3 GLN -1 H3 GLN -1 -1.053 14.031 -5.747 4 HA GLN -1 HA GLN -1 -2.465 15.594 -4.551 5 HB2 GLN -1 HB2 GLN -1 -4.553 16.349 -5.648 6 HB3 GLN -1 HB3 GLN -1 -3.114 17.016 -6.407 7 HG2 GLN -1 HG2 GLN -1 -3.282 15.377 -8.196 8 HG3 GLN -1 HG3 GLN -1 -4.699 14.668 -7.428 9 HE21 GLN -1 HE21 GLN -1 -4.366 15.869 -10.067 10 HE22 GLN -1 HE22 GLN -1 -5.533 17.141 -10.163 11 H SER 0 H SER 0 -2.926 12.849 -6.639 12 HA SER 0 HA SER 0 -4.609 11.629 -4.584 13 HB2 SER 0 HB2 SER 0 -5.301 11.598 -7.534 14 HB3 SER 0 HB3 SER 0 -6.181 10.762 -6.255 15 HG SER 0 HG SER 0 -6.772 13.069 -7.098 16 H MET 1 H MET 1 -4.431 9.403 -4.443 17 HA MET 1 HA MET 1 -2.295 8.219 -6.075 18 HB2 MET 1 HB2 MET 1 -2.281 6.430 -4.274 19 HB3 MET 1 HB3 MET 1 -1.690 8.013 -3.809 20 HG2 MET 1 HG2 MET 1 -3.807 8.501 -2.717 21 HG3 MET 1 HG3 MET 1 -4.439 6.937 -3.227 22 HE1 MET 1 HE1 MET 1 -3.950 6.656 0.690 23 HE2 MET 1 HE2 MET 1 -5.117 6.574 -0.629 24 HE3 MET 1 HE3 MET 1 -4.371 8.116 -0.207 25 H ALA 2 H ALA 2 -2.591 6.359 -7.143 26 HA ALA 2 HA ALA 2 -5.379 5.643 -7.677 27 HB1 ALA 2 HB1 ALA 2 -4.508 4.583 -9.715 28 HB2 ALA 2 HB2 ALA 2 -2.870 5.018 -9.228 29 HB3 ALA 2 HB3 ALA 2 -4.041 6.280 -9.609 30 H LEU 3 H LEU 3 -2.349 4.356 -6.595 31 HA LEU 3 HA LEU 3 -3.766 1.993 -5.568 32 HB2 LEU 3 HB2 LEU 3 -1.036 1.956 -6.867 33 HB3 LEU 3 HB3 LEU 3 -1.735 0.624 -5.985 34 HG LEU 3 HG LEU 3 -3.665 0.884 -7.759 35 HD11 LEU 3 HD11 LEU 3 -2.746 2.866 -8.757 36 HD12 LEU 3 HD12 LEU 3 -2.738 1.542 -9.924 37 HD13 LEU 3 HD13 LEU 3 -1.247 2.018 -9.110 38 HD21 LEU 3 HD21 LEU 3 -2.280 -1.110 -7.396 39 HD22 LEU 3 HD22 LEU 3 -1.005 -0.392 -8.382 40 HD23 LEU 3 HD23 LEU 3 -2.556 -0.804 -9.110 41 H HIS 4 H HIS 4 -2.726 1.088 -3.712 42 HA HIS 4 HA HIS 4 -1.564 3.245 -2.118 43 HB2 HIS 4 HB2 HIS 4 -2.554 0.516 -1.316 44 HB3 HIS 4 HB3 HIS 4 -1.881 1.683 -0.200 45 HD1 HIS 4 HD1 HIS 4 -4.985 0.717 -1.878 46 HD2 HIS 4 HD2 HIS 4 -3.514 4.031 0.151 47 HE1 HIS 4 HE1 HIS 4 -7.000 2.103 -1.299 48 HE2 HIS 4 HE2 HIS 4 -6.079 4.157 -0.168 49 H TYR 5 H TYR 5 0.503 3.375 -1.776 50 HA TYR 5 HA TYR 5 2.199 1.129 -2.497 51 HB2 TYR 5 HB2 TYR 5 2.950 3.942 -1.684 52 HB3 TYR 5 HB3 TYR 5 4.086 2.660 -2.097 53 HD1 TYR 5 HD1 TYR 5 4.476 5.021 -3.460 54 HD2 TYR 5 HD2 TYR 5 1.626 2.006 -4.319 55 HE1 TYR 5 HE1 TYR 5 4.501 5.694 -5.809 56 HE2 TYR 5 HE2 TYR 5 1.628 2.630 -6.687 57 HH TYR 5 HH TYR 5 3.981 4.751 -8.008 58 H TYR 6 H TYR 6 3.346 -0.014 -1.156 59 HA TYR 6 HA TYR 6 3.675 0.789 1.629 60 HB2 TYR 6 HB2 TYR 6 2.769 -1.992 0.815 61 HB3 TYR 6 HB3 TYR 6 3.076 -1.427 2.452 62 HD1 TYR 6 HD1 TYR 6 0.628 -1.820 -0.125 63 HD2 TYR 6 HD2 TYR 6 1.565 0.432 3.369 64 HE1 TYR 6 HE1 TYR 6 -1.731 -1.182 0.091 65 HE2 TYR 6 HE2 TYR 6 -0.796 1.077 3.584 66 HH TYR 6 HH TYR 6 -3.278 -0.436 1.956 67 H CYS 7 H CYS 7 5.827 0.570 2.092 68 HA CYS 7 HA CYS 7 7.442 -0.360 -0.040 69 HB2 CYS 7 HB2 CYS 7 8.220 1.498 1.324 70 HB3 CYS 7 HB3 CYS 7 8.336 0.420 2.725 71 H ARG 8 H ARG 8 8.317 -2.121 -0.477 72 HA ARG 8 HA ARG 8 7.836 -4.517 0.819 73 HB2 ARG 8 HB2 ARG 8 9.619 -5.439 -0.566 74 HB3 ARG 8 HB3 ARG 8 8.622 -4.341 -1.512 75 HG2 ARG 8 HG2 ARG 8 10.290 -2.602 -1.316 76 HG3 ARG 8 HG3 ARG 8 11.273 -3.637 -0.275 77 HD2 ARG 8 HD2 ARG 8 11.304 -5.282 -2.214 78 HD3 ARG 8 HD3 ARG 8 10.671 -3.962 -3.199 79 HE ARG 8 HE ARG 8 12.966 -3.167 -1.721 80 HH11 ARG 8 HH11 ARG 8 11.932 -4.854 -4.607 81 HH12 ARG 8 HH12 ARG 8 13.439 -4.634 -5.436 82 HH21 ARG 8 HH21 ARG 8 14.967 -2.901 -2.796 83 HH22 ARG 8 HH22 ARG 8 15.179 -3.527 -4.411 84 H HIS 9 H HIS 9 8.535 -5.294 2.574 85 HA HIS 9 HA HIS 9 9.931 -6.068 4.206 86 HB2 HIS 9 HB2 HIS 9 11.791 -6.054 2.631 87 HB3 HIS 9 HB3 HIS 9 12.027 -4.331 2.885 88 HD1 HIS 9 HD1 HIS 9 13.603 -3.676 4.678 89 HD2 HIS 9 HD2 HIS 9 12.429 -7.643 5.003 90 HE1 HIS 9 HE1 HIS 9 15.053 -4.656 6.474 91 HE2 HIS 9 HE2 HIS 9 14.474 -7.105 6.495 92 H CYS 10 H CYS 10 9.414 -2.703 3.613 93 HA CYS 10 HA CYS 10 10.099 -2.018 6.369 94 HB2 CYS 10 HB2 CYS 10 9.215 -0.334 4.044 95 HB3 CYS 10 HB3 CYS 10 9.414 0.306 5.665 96 H GLY 11 H GLY 11 7.305 -2.225 4.239 97 HA2 GLY 11 HA2 GLY 11 5.081 -2.523 4.802 98 HA3 GLY 11 HA3 GLY 11 5.531 -2.417 6.511 99 H VAL 12 H VAL 12 6.916 0.183 5.030 100 HA VAL 12 HA VAL 12 5.139 1.954 6.285 101 HB VAL 12 HB VAL 12 7.360 2.675 6.292 102 HG11 VAL 12 HG11 VAL 12 8.609 3.128 4.175 103 HG12 VAL 12 HG12 VAL 12 7.326 2.266 3.323 104 HG13 VAL 12 HG13 VAL 12 8.308 1.430 4.525 105 HG21 VAL 12 HG21 VAL 12 5.799 4.496 5.954 106 HG22 VAL 12 HG22 VAL 12 5.944 4.303 4.208 107 HG23 VAL 12 HG23 VAL 12 7.335 4.828 5.155 108 H LYS 13 H LYS 13 3.703 3.409 5.473 109 HA LYS 13 HA LYS 13 2.464 2.636 2.970 110 HB2 LYS 13 HB2 LYS 13 1.654 4.785 4.938 111 HB3 LYS 13 HB3 LYS 13 0.705 4.246 3.568 112 HG2 LYS 13 HG2 LYS 13 0.607 1.995 4.641 113 HG3 LYS 13 HG3 LYS 13 1.380 2.707 6.056 114 HD2 LYS 13 HD2 LYS 13 -0.449 4.277 6.307 115 HD3 LYS 13 HD3 LYS 13 -1.211 3.660 4.842 116 HE2 LYS 13 HE2 LYS 13 -2.290 2.749 6.816 117 HE3 LYS 13 HE3 LYS 13 -1.482 1.474 5.909 118 HZ1 LYS 13 HZ1 LYS 13 0.314 1.492 7.477 119 HZ2 LYS 13 HZ2 LYS 13 -1.140 1.320 8.322 120 HZ3 LYS 13 HZ3 LYS 13 -0.350 2.809 8.304 121 H VAL 14 H VAL 14 3.715 3.302 1.386 122 HA VAL 14 HA VAL 14 4.852 5.986 1.574 123 HB VAL 14 HB VAL 14 6.393 4.059 1.500 124 HG11 VAL 14 HG11 VAL 14 5.585 3.712 -1.346 125 HG12 VAL 14 HG12 VAL 14 5.059 2.658 -0.028 126 HG13 VAL 14 HG13 VAL 14 6.774 2.783 -0.434 127 HG21 VAL 14 HG21 VAL 14 6.616 5.828 -0.896 128 HG22 VAL 14 HG22 VAL 14 7.920 4.980 -0.055 129 HG23 VAL 14 HG23 VAL 14 7.045 6.277 0.761 130 H GLY 15 H GLY 15 2.236 4.710 0.411 131 HA2 GLY 15 HA2 GLY 15 2.221 6.069 -2.187 132 HA3 GLY 15 HA3 GLY 15 0.910 5.110 -1.505 133 H SER 16 H SER 16 1.372 6.527 1.088 134 HA SER 16 HA SER 16 -0.248 8.869 0.507 135 HB2 SER 16 HB2 SER 16 -0.289 8.825 3.142 136 HB3 SER 16 HB3 SER 16 -1.267 7.697 2.206 137 HG SER 16 HG SER 16 0.448 7.053 4.028 138 H LEU 17 H LEU 17 1.706 9.830 -0.466 139 HA LEU 17 HA LEU 17 3.470 10.994 1.564 140 HB2 LEU 17 HB2 LEU 17 5.210 11.217 -0.037 141 HB3 LEU 17 HB3 LEU 17 4.617 9.575 -0.156 142 HG LEU 17 HG LEU 17 3.692 11.727 -2.050 143 HD11 LEU 17 HD11 LEU 17 6.063 9.889 -2.345 144 HD12 LEU 17 HD12 LEU 17 6.116 11.643 -2.169 145 HD13 LEU 17 HD13 LEU 17 5.398 10.923 -3.607 146 HD21 LEU 17 HD21 LEU 17 2.337 9.719 -2.026 147 HD22 LEU 17 HD22 LEU 17 3.773 8.712 -2.205 148 HD23 LEU 17 HD23 LEU 17 3.277 9.784 -3.516 149 H GLU 18 H GLU 18 1.303 11.509 -1.009 150 HA GLU 18 HA GLU 18 1.550 14.387 -0.780 151 HB2 GLU 18 HB2 GLU 18 -0.438 12.798 -2.407 152 HB3 GLU 18 HB3 GLU 18 -0.124 14.523 -2.537 153 HG2 GLU 18 HG2 GLU 18 2.223 13.942 -3.205 154 HG3 GLU 18 HG3 GLU 18 1.703 12.261 -3.294 155 H SER 19 H SER 19 -0.421 11.715 0.119 156 HA SER 19 HA SER 19 -2.283 13.321 1.639 157 HB2 SER 19 HB2 SER 19 -1.843 10.336 1.810 158 HB3 SER 19 HB3 SER 19 -3.261 11.257 2.289 159 HG SER 19 HG SER 19 -3.202 11.884 -0.100 160 H SER 20 H SER 20 -0.418 14.376 2.697 161 HA SER 20 HA SER 20 1.261 12.819 4.440 162 HB2 SER 20 HB2 SER 20 1.019 15.828 4.216 163 HB3 SER 20 HB3 SER 20 2.343 14.932 4.960 164 HG SER 20 HG SER 20 2.807 14.044 2.904 165 H MET 21 H MET 21 -1.141 15.400 4.939 166 HA MET 21 HA MET 21 -1.593 14.287 7.629 167 HB2 MET 21 HB2 MET 21 -2.249 16.486 8.388 168 HB3 MET 21 HB3 MET 21 -0.650 16.575 7.668 169 HG2 MET 21 HG2 MET 21 -1.573 17.524 5.649 170 HG3 MET 21 HG3 MET 21 -3.207 17.357 6.290 171 HE1 MET 21 HE1 MET 21 -3.684 19.924 5.780 172 HE2 MET 21 HE2 MET 21 -2.056 20.070 5.121 173 HE3 MET 21 HE3 MET 21 -2.630 21.233 6.315 174 H VAL 22 H VAL 22 -2.691 14.160 4.711 175 HA VAL 22 HA VAL 22 -5.438 14.825 4.906 176 HB VAL 22 HB VAL 22 -4.065 12.866 3.058 177 HG11 VAL 22 HG11 VAL 22 -6.453 12.445 3.174 178 HG12 VAL 22 HG12 VAL 22 -6.021 13.152 1.617 179 HG13 VAL 22 HG13 VAL 22 -6.782 14.148 2.856 180 HG21 VAL 22 HG21 VAL 22 -3.176 15.111 2.829 181 HG22 VAL 22 HG22 VAL 22 -4.805 15.760 2.657 182 HG23 VAL 22 HG23 VAL 22 -4.146 14.688 1.420 183 H SER 23 H SER 23 -6.833 13.881 6.211 184 HA SER 23 HA SER 23 -6.439 11.374 7.455 185 HB2 SER 23 HB2 SER 23 -8.928 11.694 8.035 186 HB3 SER 23 HB3 SER 23 -7.804 12.924 8.609 187 HG SER 23 HG SER 23 -9.687 13.055 6.508 188 H THR 24 H THR 24 -7.502 9.391 7.083 189 HA THR 24 HA THR 24 -7.924 8.837 4.309 190 HB THR 24 HB THR 24 -8.502 6.509 5.205 191 HG1 THR 24 HG1 THR 24 -8.941 7.394 7.388 192 HG21 THR 24 HG21 THR 24 -6.318 7.052 4.280 193 HG22 THR 24 HG22 THR 24 -6.140 6.000 5.683 194 HG23 THR 24 HG23 THR 24 -5.809 7.726 5.827 195 H ASP 25 H ASP 25 -9.735 10.255 3.946 196 HA ASP 25 HA ASP 25 -12.297 9.381 5.061 197 HB2 ASP 25 HB2 ASP 25 -11.535 11.671 3.237 198 HB3 ASP 25 HB3 ASP 25 -13.202 11.280 3.643 199 H SER 26 H SER 26 -10.410 9.405 2.174 200 HA SER 26 HA SER 26 -12.420 8.289 0.473 201 HB2 SER 26 HB2 SER 26 -10.546 9.733 -0.328 202 HB3 SER 26 HB3 SER 26 -9.421 8.447 0.089 203 HG SER 26 HG SER 26 -11.397 7.463 -1.446 204 H LEU 27 H LEU 27 -12.922 6.577 2.069 205 HA LEU 27 HA LEU 27 -11.328 4.178 1.464 206 HB2 LEU 27 HB2 LEU 27 -12.682 4.850 4.082 207 HB3 LEU 27 HB3 LEU 27 -11.967 3.297 3.701 208 HG LEU 27 HG LEU 27 -10.463 5.907 3.930 209 HD11 LEU 27 HD11 LEU 27 -9.517 4.910 5.957 210 HD12 LEU 27 HD12 LEU 27 -10.588 3.522 5.768 211 HD13 LEU 27 HD13 LEU 27 -11.262 5.121 6.082 212 HD21 LEU 27 HD21 LEU 27 -9.492 3.089 3.465 213 HD22 LEU 27 HD22 LEU 27 -8.459 4.472 3.826 214 HD23 LEU 27 HD23 LEU 27 -9.395 4.437 2.332 215 H GLY 28 H GLY 28 -12.729 2.152 1.829 216 HA2 GLY 28 HA2 GLY 28 -15.104 2.544 0.237 217 HA3 GLY 28 HA3 GLY 28 -14.432 1.004 0.751 218 H PHE 29 H PHE 29 -15.658 3.850 2.487 219 HA PHE 29 HA PHE 29 -17.609 2.116 3.825 220 HB2 PHE 29 HB2 PHE 29 -15.961 4.291 5.149 221 HB3 PHE 29 HB3 PHE 29 -17.187 3.311 5.941 222 HD1 PHE 29 HD1 PHE 29 -16.764 0.660 5.465 223 HD2 PHE 29 HD2 PHE 29 -13.815 3.714 5.624 224 HE1 PHE 29 HE1 PHE 29 -15.053 -1.029 5.982 225 HE2 PHE 29 HE2 PHE 29 -12.097 2.038 6.145 226 HZ PHE 29 HZ PHE 29 -12.712 -0.342 6.322 227 H GLN 30 H GLN 30 -18.789 4.221 5.342 228 HA GLN 30 HA GLN 30 -20.011 5.649 3.070 229 HB2 GLN 30 HB2 GLN 30 -22.040 5.853 4.500 230 HB3 GLN 30 HB3 GLN 30 -21.600 4.196 4.125 231 HG2 GLN 30 HG2 GLN 30 -20.686 3.888 6.330 232 HG3 GLN 30 HG3 GLN 30 -20.943 5.588 6.710 233 HE21 GLN 30 HE21 GLN 30 -23.258 3.603 4.962 234 HE22 GLN 30 HE22 GLN 30 -24.453 3.587 6.207 235 H HIS 31 H HIS 31 -19.142 6.009 6.453 236 HA HIS 31 HA HIS 31 -17.992 8.548 6.251 237 HB2 HIS 31 HB2 HIS 31 -20.348 9.290 5.842 238 HB3 HIS 31 HB3 HIS 31 -20.824 8.555 7.368 239 HD1 HIS 31 HD1 HIS 31 -20.840 10.082 9.313 240 HD2 HIS 31 HD2 HIS 31 -18.372 11.475 6.275 241 HE1 HIS 31 HE1 HIS 31 -20.040 12.336 10.079 242 HE2 HIS 31 HE2 HIS 31 -18.460 13.111 8.278 243 H LEU 32 H LEU 32 -16.779 6.752 7.328 244 HA LEU 32 HA LEU 32 -17.779 5.476 9.582 245 HB2 LEU 32 HB2 LEU 32 -15.302 4.911 9.981 246 HB3 LEU 32 HB3 LEU 32 -16.141 4.256 8.609 247 HG LEU 32 HG LEU 32 -15.009 5.761 7.107 248 HD11 LEU 32 HD11 LEU 32 -13.736 6.980 9.548 249 HD12 LEU 32 HD12 LEU 32 -14.916 7.757 8.488 250 HD13 LEU 32 HD13 LEU 32 -13.316 7.339 7.873 251 HD21 LEU 32 HD21 LEU 32 -12.707 5.040 7.439 252 HD22 LEU 32 HD22 LEU 32 -13.840 3.727 7.753 253 HD23 LEU 32 HD23 LEU 32 -13.085 4.579 9.097 254 H THR 33 H THR 33 -17.114 5.484 11.694 255 HA THR 33 HA THR 33 -16.073 7.991 12.768 256 HB THR 33 HB THR 33 -18.539 8.156 12.832 257 HG1 THR 33 HG1 THR 33 -18.701 8.573 15.086 258 HG21 THR 33 HG21 THR 33 -19.853 6.636 14.222 259 HG22 THR 33 HG22 THR 33 -18.410 5.678 14.551 260 HG23 THR 33 HG23 THR 33 -19.058 5.764 12.914 261 H ASN 34 H ASN 34 -16.139 7.430 15.434 262 HA ASN 34 HA ASN 34 -13.938 5.806 15.794 263 HB2 ASN 34 HB2 ASN 34 -14.570 5.756 18.217 264 HB3 ASN 34 HB3 ASN 34 -14.572 7.365 17.504 265 HD21 ASN 34 HD21 ASN 34 -16.474 4.860 18.924 266 HD22 ASN 34 HD22 ASN 34 -17.952 5.755 19.022 267 H GLU 35 H GLU 35 -17.325 4.888 15.856 268 HA GLU 35 HA GLU 35 -16.911 2.204 16.704 269 HB2 GLU 35 HB2 GLU 35 -19.181 3.451 15.169 270 HB3 GLU 35 HB3 GLU 35 -19.207 1.852 15.901 271 HG2 GLU 35 HG2 GLU 35 -18.787 4.402 17.422 272 HG3 GLU 35 HG3 GLU 35 -20.332 3.595 17.210 273 H GLU 36 H GLU 36 -17.651 3.637 13.536 274 HA GLU 36 HA GLU 36 -17.532 1.181 12.140 275 HB2 GLU 36 HB2 GLU 36 -18.676 3.364 11.442 276 HB3 GLU 36 HB3 GLU 36 -17.095 3.880 10.885 277 HG2 GLU 36 HG2 GLU 36 -17.008 2.190 9.240 278 HG3 GLU 36 HG3 GLU 36 -18.391 1.348 9.934 279 H ARG 37 H ARG 37 -15.090 3.549 12.959 280 HA ARG 37 HA ARG 37 -13.070 2.541 11.212 281 HB2 ARG 37 HB2 ARG 37 -12.804 4.108 13.781 282 HB3 ARG 37 HB3 ARG 37 -11.500 3.808 12.646 283 HG2 ARG 37 HG2 ARG 37 -12.775 5.060 10.931 284 HG3 ARG 37 HG3 ARG 37 -13.977 5.443 12.164 285 HD2 ARG 37 HD2 ARG 37 -11.098 6.297 12.029 286 HD3 ARG 37 HD3 ARG 37 -12.538 7.310 12.059 287 HE ARG 37 HE ARG 37 -11.735 5.673 14.380 288 HH11 ARG 37 HH11 ARG 37 -12.744 8.735 13.010 289 HH12 ARG 37 HH12 ARG 37 -12.741 9.555 14.536 290 HH21 ARG 37 HH21 ARG 37 -11.744 6.743 16.378 291 HH22 ARG 37 HH22 ARG 37 -12.181 8.422 16.460 292 H ASN 38 H ASN 38 -14.157 1.787 14.445 293 HA ASN 38 HA ASN 38 -11.912 0.104 15.057 294 HB2 ASN 38 HB2 ASN 38 -13.189 1.297 16.815 295 HB3 ASN 38 HB3 ASN 38 -14.602 0.319 16.431 296 HD21 ASN 38 HD21 ASN 38 -14.728 -1.759 17.168 297 HD22 ASN 38 HD22 ASN 38 -13.578 -2.445 18.264 298 H ASP 39 H ASP 39 -15.310 -0.403 14.204 299 HA ASP 39 HA ASP 39 -15.120 -3.250 14.213 300 HB2 ASP 39 HB2 ASP 39 -17.250 -2.190 14.638 301 HB3 ASP 39 HB3 ASP 39 -17.205 -1.385 13.073 302 H MET 40 H MET 40 -15.490 -0.893 11.559 303 HA MET 40 HA MET 40 -15.119 -2.983 9.598 304 HB2 MET 40 HB2 MET 40 -15.475 -0.001 9.275 305 HB3 MET 40 HB3 MET 40 -15.398 -1.149 7.947 306 HG2 MET 40 HG2 MET 40 -17.473 -1.201 10.121 307 HG3 MET 40 HG3 MET 40 -17.691 -0.443 8.545 308 HE1 MET 40 HE1 MET 40 -19.948 -3.634 8.291 309 HE2 MET 40 HE2 MET 40 -19.884 -1.881 8.121 310 HE3 MET 40 HE3 MET 40 -19.688 -2.621 9.710 311 H ILE 41 H ILE 41 -13.126 -0.960 11.366 312 HA ILE 41 HA ILE 41 -10.873 -0.711 11.445 313 HB ILE 41 HB ILE 41 -10.759 -2.445 8.969 314 HG12 ILE 41 HG12 ILE 41 -10.359 -3.179 11.880 315 HG13 ILE 41 HG13 ILE 41 -11.790 -3.565 10.931 316 HG21 ILE 41 HG21 ILE 41 -8.751 -1.090 9.264 317 HG22 ILE 41 HG22 ILE 41 -8.414 -2.793 9.579 318 HG23 ILE 41 HG23 ILE 41 -8.596 -1.667 10.925 319 HD11 ILE 41 HD11 ILE 41 -10.330 -5.483 11.116 320 HD12 ILE 41 HD12 ILE 41 -8.999 -4.563 10.414 321 HD13 ILE 41 HD13 ILE 41 -10.422 -4.939 9.441 322 H SER 42 H SER 42 -9.643 0.993 10.861 323 HA SER 42 HA SER 42 -10.545 2.669 8.707 324 HB2 SER 42 HB2 SER 42 -8.143 3.001 10.521 325 HB3 SER 42 HB3 SER 42 -8.887 4.253 9.527 326 HG SER 42 HG SER 42 -9.496 3.609 11.997 327 H TYR 43 H TYR 43 -9.812 0.394 7.509 328 HA TYR 43 HA TYR 43 -7.566 1.129 5.860 329 HB2 TYR 43 HB2 TYR 43 -6.489 0.030 7.833 330 HB3 TYR 43 HB3 TYR 43 -7.428 -1.419 7.499 331 HD1 TYR 43 HD1 TYR 43 -6.660 -3.015 5.947 332 HD2 TYR 43 HD2 TYR 43 -4.822 0.819 6.096 333 HE1 TYR 43 HE1 TYR 43 -4.885 -3.812 4.443 334 HE2 TYR 43 HE2 TYR 43 -3.045 0.030 4.594 335 HH TYR 43 HH TYR 43 -2.005 -2.168 3.970 336 H LYS 44 H LYS 44 -7.426 -0.241 3.970 337 HA LYS 44 HA LYS 44 -9.954 -1.176 3.066 338 HB2 LYS 44 HB2 LYS 44 -7.189 -1.433 1.870 339 HB3 LYS 44 HB3 LYS 44 -8.667 -1.912 1.050 340 HG2 LYS 44 HG2 LYS 44 -7.915 0.873 1.919 341 HG3 LYS 44 HG3 LYS 44 -7.958 0.255 0.267 342 HD2 LYS 44 HD2 LYS 44 -10.403 -0.181 0.584 343 HD3 LYS 44 HD3 LYS 44 -10.293 0.656 2.132 344 HE2 LYS 44 HE2 LYS 44 -11.048 2.293 0.648 345 HE3 LYS 44 HE3 LYS 44 -9.322 2.610 0.803 346 HZ1 LYS 44 HZ1 LYS 44 -10.659 1.194 -1.440 347 HZ2 LYS 44 HZ2 LYS 44 -8.986 1.386 -1.293 348 HZ3 LYS 44 HZ3 LYS 44 -9.978 2.742 -1.491 349 H GLU 45 H GLU 45 -10.808 -2.956 3.896 350 HA GLU 45 HA GLU 45 -9.263 -4.991 5.141 351 HB2 GLU 45 HB2 GLU 45 -11.589 -4.277 5.773 352 HB3 GLU 45 HB3 GLU 45 -12.177 -5.133 4.364 353 HG2 GLU 45 HG2 GLU 45 -11.173 -7.177 5.299 354 HG3 GLU 45 HG3 GLU 45 -10.774 -6.284 6.755 355 H ASN 46 H ASN 46 -10.609 -4.592 1.955 356 HA ASN 46 HA ASN 46 -10.242 -7.397 1.268 357 HB2 ASN 46 HB2 ASN 46 -11.058 -5.044 -0.452 358 HB3 ASN 46 HB3 ASN 46 -11.028 -6.720 -0.978 359 HD21 ASN 46 HD21 ASN 46 -13.231 -4.861 -0.895 360 HD22 ASN 46 HD22 ASN 46 -14.440 -5.582 0.106 361 H GLY 47 H GLY 47 -8.171 -5.028 1.782 362 HA2 GLY 47 HA2 GLY 47 -5.909 -4.923 1.257 363 HA3 GLY 47 HA3 GLY 47 -6.179 -6.108 -0.027 364 H ASP 48 H ASP 48 -8.316 -4.695 -1.294 365 HA ASP 48 HA ASP 48 -8.661 -3.225 -2.985 366 HB2 ASP 48 HB2 ASP 48 -8.794 -1.823 -0.899 367 HB3 ASP 48 HB3 ASP 48 -7.137 -1.336 -1.199 368 H VAL 49 H VAL 49 -6.901 -0.974 -3.750 369 HA VAL 49 HA VAL 49 -4.975 -2.459 -5.273 370 HB VAL 49 HB VAL 49 -4.223 -0.094 -6.005 371 HG11 VAL 49 HG11 VAL 49 -7.020 -1.062 -6.581 372 HG12 VAL 49 HG12 VAL 49 -5.546 -1.604 -7.381 373 HG13 VAL 49 HG13 VAL 49 -6.093 0.060 -7.574 374 HG21 VAL 49 HG21 VAL 49 -5.324 1.106 -4.112 375 HG22 VAL 49 HG22 VAL 49 -6.888 0.652 -4.787 376 HG23 VAL 49 HG23 VAL 49 -5.815 1.699 -5.699 377 H HIS 50 H HIS 50 -3.208 -3.173 -4.349 378 HA HIS 50 HA HIS 50 -1.695 -1.374 -2.617 379 HB2 HIS 50 HB2 HIS 50 -1.262 -3.205 -1.008 380 HB3 HIS 50 HB3 HIS 50 -2.960 -2.764 -1.074 381 HD1 HIS 50 HD1 HIS 50 -4.577 -4.492 -2.250 382 HD2 HIS 50 HD2 HIS 50 -0.687 -5.828 -1.633 383 HE1 HIS 50 HE1 HIS 50 -4.668 -6.992 -2.509 384 HE2 HIS 50 HE2 HIS 50 -2.336 -7.787 -2.004 385 H VAL 51 H VAL 51 0.318 -1.250 -3.222 386 HA VAL 51 HA VAL 51 1.538 -3.528 -4.634 387 HB VAL 51 HB VAL 51 2.815 -1.820 -6.000 388 HG11 VAL 51 HG11 VAL 51 0.967 -3.057 -6.990 389 HG12 VAL 51 HG12 VAL 51 0.989 -1.390 -7.576 390 HG13 VAL 51 HG13 VAL 51 -0.177 -1.876 -6.344 391 HG21 VAL 51 HG21 VAL 51 1.828 0.384 -6.238 392 HG22 VAL 51 HG22 VAL 51 2.459 0.095 -4.614 393 HG23 VAL 51 HG23 VAL 51 0.720 0.016 -4.913 394 H LEU 52 H LEU 52 3.546 -4.060 -4.002 395 HA LEU 52 HA LEU 52 4.687 -2.619 -1.747 396 HB2 LEU 52 HB2 LEU 52 5.555 -5.197 -3.066 397 HB3 LEU 52 HB3 LEU 52 6.208 -4.535 -1.576 398 HG LEU 52 HG LEU 52 3.351 -5.444 -1.952 399 HD11 LEU 52 HD11 LEU 52 5.638 -6.759 -0.499 400 HD12 LEU 52 HD12 LEU 52 4.923 -7.313 -2.012 401 HD13 LEU 52 HD13 LEU 52 3.968 -7.324 -0.529 402 HD21 LEU 52 HD21 LEU 52 4.860 -4.531 0.491 403 HD22 LEU 52 HD22 LEU 52 3.241 -5.226 0.493 404 HD23 LEU 52 HD23 LEU 52 3.534 -3.683 -0.304 405 H THR 53 H THR 53 6.126 -1.076 -2.078 406 HA THR 53 HA THR 53 7.767 -1.179 -4.520 407 HB THR 53 HB THR 53 5.826 0.396 -4.726 408 HG1 THR 53 HG1 THR 53 7.204 1.276 -6.046 409 HG21 THR 53 HG21 THR 53 5.923 2.520 -3.498 410 HG22 THR 53 HG22 THR 53 7.283 1.906 -2.559 411 HG23 THR 53 HG23 THR 53 5.698 1.145 -2.417 412 H ILE 54 H ILE 54 9.279 1.044 -4.174 413 HA ILE 54 HA ILE 54 10.858 0.353 -1.796 414 HB ILE 54 HB ILE 54 11.532 1.358 -4.515 415 HG12 ILE 54 HG12 ILE 54 13.487 -0.260 -3.130 416 HG13 ILE 54 HG13 ILE 54 11.893 -0.996 -3.106 417 HG21 ILE 54 HG21 ILE 54 12.476 3.103 -3.118 418 HG22 ILE 54 HG22 ILE 54 13.750 2.103 -3.815 419 HG23 ILE 54 HG23 ILE 54 13.286 1.889 -2.128 420 HD11 ILE 54 HD11 ILE 54 11.776 -0.865 -5.522 421 HD12 ILE 54 HD12 ILE 54 13.232 -1.724 -5.017 422 HD13 ILE 54 HD13 ILE 54 13.338 -0.049 -5.564 423 H CYS 55 H CYS 55 10.727 1.688 -0.124 424 HA CYS 55 HA CYS 55 9.719 4.351 -0.335 425 HB2 CYS 55 HB2 CYS 55 10.058 4.540 2.017 426 HB3 CYS 55 HB3 CYS 55 9.529 2.891 1.730 427 H GLU 56 H GLU 56 10.998 6.253 0.492 428 HA GLU 56 HA GLU 56 13.191 6.758 -1.130 429 HB2 GLU 56 HB2 GLU 56 12.535 8.023 1.537 430 HB3 GLU 56 HB3 GLU 56 13.606 8.696 0.322 431 HG2 GLU 56 HG2 GLU 56 10.666 8.194 -0.006 432 HG3 GLU 56 HG3 GLU 56 11.430 9.760 0.254 433 H ASP 57 H ASP 57 13.145 5.618 2.234 434 HA ASP 57 HA ASP 57 15.882 5.656 2.755 435 HB2 ASP 57 HB2 ASP 57 14.347 5.225 4.544 436 HB3 ASP 57 HB3 ASP 57 13.724 3.788 3.739 437 H CYS 58 H CYS 58 13.914 3.037 1.381 438 HA CYS 58 HA CYS 58 16.098 1.271 1.023 439 HB2 CYS 58 HB2 CYS 58 13.327 1.328 -0.159 440 HB3 CYS 58 HB3 CYS 58 14.502 0.075 -0.550 441 H GLN 59 H GLN 59 14.541 3.633 -1.077 442 HA GLN 59 HA GLN 59 15.878 3.187 -3.444 443 HB2 GLN 59 HB2 GLN 59 14.245 4.857 -3.521 444 HB3 GLN 59 HB3 GLN 59 14.889 5.687 -2.115 445 HG2 GLN 59 HG2 GLN 59 15.425 7.084 -3.885 446 HG3 GLN 59 HG3 GLN 59 16.918 6.212 -3.576 447 HE21 GLN 59 HE21 GLN 59 15.771 3.779 -4.897 448 HE22 GLN 59 HE22 GLN 59 15.881 4.108 -6.579 449 H GLU 60 H GLU 60 17.073 4.677 -0.512 450 HA GLU 60 HA GLU 60 19.447 5.659 -1.686 451 HB2 GLU 60 HB2 GLU 60 18.226 5.523 0.959 452 HB3 GLU 60 HB3 GLU 60 19.958 5.361 0.981 453 HG2 GLU 60 HG2 GLU 60 18.515 7.580 -0.352 454 HG3 GLU 60 HG3 GLU 60 19.164 7.672 1.275 455 H ALA 61 H ALA 61 18.688 2.742 0.205 456 HA ALA 61 HA ALA 61 21.339 1.723 0.217 457 HB1 ALA 61 HB1 ALA 61 19.653 0.895 1.776 458 HB2 ALA 61 HB2 ALA 61 20.284 -0.428 0.794 459 HB3 ALA 61 HB3 ALA 61 18.700 0.263 0.433 460 H LEU 62 H LEU 62 18.643 1.622 -1.906 461 HA LEU 62 HA LEU 62 19.460 -0.276 -3.785 462 HB2 LEU 62 HB2 LEU 62 17.420 1.663 -3.393 463 HB3 LEU 62 HB3 LEU 62 18.048 1.859 -5.018 464 HG LEU 62 HG LEU 62 17.757 -0.663 -5.183 465 HD11 LEU 62 HD11 LEU 62 15.958 -1.598 -3.810 466 HD12 LEU 62 HD12 LEU 62 15.946 -0.112 -2.861 467 HD13 LEU 62 HD13 LEU 62 17.374 -1.146 -2.860 468 HD21 LEU 62 HD21 LEU 62 16.422 0.876 -6.467 469 HD22 LEU 62 HD22 LEU 62 15.373 1.160 -5.079 470 HD23 LEU 62 HD23 LEU 62 15.398 -0.422 -5.859 471 H ASP 63 H ASP 63 19.544 3.226 -4.001 472 HA ASP 63 HA ASP 63 21.117 3.504 -6.267 473 HB2 ASP 63 HB2 ASP 63 19.818 5.314 -5.228 474 HB3 ASP 63 HB3 ASP 63 20.935 5.341 -3.872 475 H ARG 64 H ARG 64 22.042 2.938 -2.949 476 HA ARG 64 HA ARG 64 24.835 3.418 -3.266 477 HB2 ARG 64 HB2 ARG 64 23.719 3.494 -1.086 478 HB3 ARG 64 HB3 ARG 64 23.320 1.790 -1.219 479 HG2 ARG 64 HG2 ARG 64 25.681 1.215 -1.135 480 HG3 ARG 64 HG3 ARG 64 26.100 2.928 -1.036 481 HD2 ARG 64 HD2 ARG 64 24.859 3.119 1.050 482 HD3 ARG 64 HD3 ARG 64 24.407 1.419 0.949 483 HE ARG 64 HE ARG 64 27.206 1.640 0.870 484 HH11 ARG 64 HH11 ARG 64 24.531 2.066 3.072 485 HH12 ARG 64 HH12 ARG 64 25.462 1.688 4.485 486 HH21 ARG 64 HH21 ARG 64 28.447 1.148 2.726 487 HH22 ARG 64 HH22 ARG 64 27.697 1.169 4.288 488 H ASN 65 H ASN 65 22.998 0.393 -2.858 489 HA ASN 65 HA ASN 65 24.963 -0.942 -4.586 490 HB2 ASN 65 HB2 ASN 65 24.432 -3.028 -3.113 491 HB3 ASN 65 HB3 ASN 65 25.602 -1.845 -2.544 492 HD21 ASN 65 HD21 ASN 65 22.489 -3.269 -2.041 493 HD22 ASN 65 HD22 ASN 65 22.176 -2.532 -0.509 494 HA PRO 66 HA PRO 66 20.984 -1.143 -6.713 495 HB2 PRO 66 HB2 PRO 66 22.769 -2.426 -8.715 496 HB3 PRO 66 HB3 PRO 66 21.597 -1.120 -8.922 497 HG2 PRO 66 HG2 PRO 66 24.202 -0.598 -8.880 498 HG3 PRO 66 HG3 PRO 66 23.048 0.488 -8.084 499 HD2 PRO 66 HD2 PRO 66 24.884 -1.541 -6.879 500 HD3 PRO 66 HD3 PRO 66 24.434 0.070 -6.284 501 H HIS 67 H HIS 67 19.562 -2.725 -7.330 502 HA HIS 67 HA HIS 67 18.498 -4.706 -7.300 503 HB2 HIS 67 HB2 HIS 67 21.292 -5.675 -7.820 504 HB3 HIS 67 HB3 HIS 67 19.974 -6.816 -7.575 505 HD1 HIS 67 HD1 HIS 67 18.253 -7.066 -9.454 506 HD2 HIS 67 HD2 HIS 67 21.156 -4.188 -10.214 507 HE1 HIS 67 HE1 HIS 67 18.005 -6.476 -11.884 508 HE2 HIS 67 HE2 HIS 67 19.635 -4.595 -12.264 509 H TYR 68 H TYR 68 17.892 -4.209 -5.151 510 HA TYR 68 HA TYR 68 19.362 -5.552 -3.019 511 HB2 TYR 68 HB2 TYR 68 18.287 -3.206 -2.864 512 HB3 TYR 68 HB3 TYR 68 16.758 -4.063 -2.718 513 HD1 TYR 68 HD1 TYR 68 19.536 -2.746 -0.969 514 HD2 TYR 68 HD2 TYR 68 16.628 -5.842 -0.812 515 HE1 TYR 68 HE1 TYR 68 19.912 -2.971 1.448 516 HE2 TYR 68 HE2 TYR 68 16.997 -6.076 1.605 517 HH TYR 68 HH TYR 68 18.744 -5.608 3.251 518 H HIS 69 H HIS 69 18.956 -7.660 -3.989 519 HA HIS 69 HA HIS 69 17.883 -9.654 -4.217 520 HB2 HIS 69 HB2 HIS 69 16.164 -8.554 -1.981 521 HB3 HIS 69 HB3 HIS 69 16.166 -10.229 -2.516 522 HD1 HIS 69 HD1 HIS 69 17.050 -8.941 0.349 523 HD2 HIS 69 HD2 HIS 69 19.482 -10.556 -2.612 524 HE1 HIS 69 HE1 HIS 69 19.174 -9.615 1.508 525 HE2 HIS 69 HE2 HIS 69 20.685 -10.439 -0.324 526 H GLU 70 H GLU 70 17.245 -8.213 -6.236 527 HA GLU 70 HA GLU 70 14.364 -8.494 -6.589 528 HB2 GLU 70 HB2 GLU 70 14.208 -6.222 -7.563 529 HB3 GLU 70 HB3 GLU 70 14.597 -6.209 -5.848 530 HG2 GLU 70 HG2 GLU 70 16.984 -5.908 -6.451 531 HG3 GLU 70 HG3 GLU 70 16.494 -5.764 -8.138 532 H TYR 71 H TYR 71 13.765 -9.015 -8.620 533 HA TYR 71 HA TYR 71 15.901 -9.484 -10.558 534 HB2 TYR 71 HB2 TYR 71 14.133 -11.242 -9.883 535 HB3 TYR 71 HB3 TYR 71 13.008 -10.295 -10.850 536 HD1 TYR 71 HD1 TYR 71 15.504 -12.835 -10.880 537 HD2 TYR 71 HD2 TYR 71 13.613 -9.916 -13.329 538 HE1 TYR 71 HE1 TYR 71 16.262 -14.035 -12.885 539 HE2 TYR 71 HE2 TYR 71 14.365 -11.113 -15.342 540 HH TYR 71 HH TYR 71 16.159 -12.685 -15.987 541 H HIS 72 H HIS 72 16.050 -8.354 -12.451 542 HA HIS 72 HA HIS 72 14.540 -5.943 -12.679 543 HB2 HIS 72 HB2 HIS 72 15.791 -5.568 -14.780 544 HB3 HIS 72 HB3 HIS 72 16.840 -5.925 -13.420 545 HD1 HIS 72 HD1 HIS 72 18.242 -8.082 -13.542 546 HD2 HIS 72 HD2 HIS 72 15.784 -7.484 -16.840 547 HE1 HIS 72 HE1 HIS 72 19.029 -9.714 -15.274 548 HE2 HIS 72 HE2 HIS 72 17.653 -9.203 -17.318 549 H THR 73 H THR 73 12.552 -5.818 -13.374 550 HA THR 73 HA THR 73 11.619 -7.773 -15.355 551 HB THR 73 HB THR 73 9.316 -7.157 -14.539 552 HG1 THR 73 HG1 THR 73 10.019 -5.145 -13.541 553 HG21 THR 73 HG21 THR 73 9.460 -8.498 -12.498 554 HG22 THR 73 HG22 THR 73 11.210 -8.280 -12.469 555 HG23 THR 73 HG23 THR 73 10.457 -9.193 -13.777 Start of MODEL 14 1 H1 GLN -1 H1 GLN -1 -9.594 13.899 -6.417 2 H2 GLN -1 H2 GLN -1 -8.704 15.209 -7.005 3 H3 GLN -1 H3 GLN -1 -9.947 15.465 -5.890 4 HA GLN -1 HA GLN -1 -7.798 15.635 -4.834 5 HB2 GLN -1 HB2 GLN -1 -8.180 13.984 -3.029 6 HB3 GLN -1 HB3 GLN -1 -9.656 14.824 -3.484 7 HG2 GLN -1 HG2 GLN -1 -10.380 12.908 -4.776 8 HG3 GLN -1 HG3 GLN -1 -8.876 12.068 -4.409 9 HE21 GLN -1 HE21 GLN -1 -10.591 14.035 -2.077 10 HE22 GLN -1 HE22 GLN -1 -11.094 12.728 -1.065 11 H SER 0 H SER 0 -5.866 14.563 -4.133 12 HA SER 0 HA SER 0 -4.626 13.105 -6.229 13 HB2 SER 0 HB2 SER 0 -3.623 13.550 -3.407 14 HB3 SER 0 HB3 SER 0 -2.651 13.178 -4.831 15 HG SER 0 HG SER 0 -2.915 15.496 -4.067 16 H MET 1 H MET 1 -5.294 11.084 -6.613 17 HA MET 1 HA MET 1 -5.123 9.131 -4.435 18 HB2 MET 1 HB2 MET 1 -7.207 8.037 -5.302 19 HB3 MET 1 HB3 MET 1 -7.466 9.594 -4.532 20 HG2 MET 1 HG2 MET 1 -7.497 10.633 -6.795 21 HG3 MET 1 HG3 MET 1 -7.419 9.011 -7.481 22 HE1 MET 1 HE1 MET 1 -9.309 7.186 -7.149 23 HE2 MET 1 HE2 MET 1 -10.800 7.462 -6.251 24 HE3 MET 1 HE3 MET 1 -9.258 7.391 -5.399 25 H ALA 2 H ALA 2 -4.773 6.975 -5.126 26 HA ALA 2 HA ALA 2 -4.400 6.200 -7.803 27 HB1 ALA 2 HB1 ALA 2 -1.999 6.181 -7.977 28 HB2 ALA 2 HB2 ALA 2 -1.824 6.772 -6.326 29 HB3 ALA 2 HB3 ALA 2 -2.497 7.823 -7.571 30 H LEU 3 H LEU 3 -2.141 4.473 -7.185 31 HA LEU 3 HA LEU 3 -3.431 2.277 -5.921 32 HB2 LEU 3 HB2 LEU 3 -0.464 2.613 -6.244 33 HB3 LEU 3 HB3 LEU 3 -1.375 1.122 -6.200 34 HG LEU 3 HG LEU 3 -1.383 3.118 -8.450 35 HD11 LEU 3 HD11 LEU 3 -0.267 1.311 -9.692 36 HD12 LEU 3 HD12 LEU 3 -0.178 0.383 -8.194 37 HD13 LEU 3 HD13 LEU 3 0.700 1.906 -8.342 38 HD21 LEU 3 HD21 LEU 3 -2.655 1.482 -9.665 39 HD22 LEU 3 HD22 LEU 3 -3.515 2.039 -8.228 40 HD23 LEU 3 HD23 LEU 3 -2.712 0.471 -8.225 41 H HIS 4 H HIS 4 -2.874 1.308 -3.896 42 HA HIS 4 HA HIS 4 -1.941 3.255 -1.937 43 HB2 HIS 4 HB2 HIS 4 -2.846 0.404 -1.487 44 HB3 HIS 4 HB3 HIS 4 -2.603 1.627 -0.251 45 HD1 HIS 4 HD1 HIS 4 -5.293 -0.013 -1.446 46 HD2 HIS 4 HD2 HIS 4 -4.388 4.045 -1.437 47 HE1 HIS 4 HE1 HIS 4 -7.499 1.173 -1.687 48 HE2 HIS 4 HE2 HIS 4 -6.921 3.625 -1.792 49 H TYR 5 H TYR 5 0.098 3.337 -1.379 50 HA TYR 5 HA TYR 5 1.879 1.276 -2.447 51 HB2 TYR 5 HB2 TYR 5 2.226 4.179 -1.774 52 HB3 TYR 5 HB3 TYR 5 3.631 3.120 -1.867 53 HD1 TYR 5 HD1 TYR 5 1.129 2.167 -4.306 54 HD2 TYR 5 HD2 TYR 5 4.286 4.924 -3.503 55 HE1 TYR 5 HE1 TYR 5 1.349 2.644 -6.698 56 HE2 TYR 5 HE2 TYR 5 4.499 5.386 -5.888 57 HH TYR 5 HH TYR 5 2.153 4.401 -8.166 58 H TYR 6 H TYR 6 2.588 -0.183 -1.063 59 HA TYR 6 HA TYR 6 3.415 0.743 1.604 60 HB2 TYR 6 HB2 TYR 6 2.196 -1.941 0.913 61 HB3 TYR 6 HB3 TYR 6 2.847 -1.496 2.490 62 HD1 TYR 6 HD1 TYR 6 1.728 0.318 3.820 63 HD2 TYR 6 HD2 TYR 6 0.013 -1.279 0.251 64 HE1 TYR 6 HE1 TYR 6 -0.478 1.229 4.452 65 HE2 TYR 6 HE2 TYR 6 -2.171 -0.365 0.884 66 HH TYR 6 HH TYR 6 -2.565 1.881 3.429 67 H CYS 7 H CYS 7 5.477 0.193 2.164 68 HA CYS 7 HA CYS 7 7.050 -0.370 -0.146 69 HB2 CYS 7 HB2 CYS 7 7.640 1.362 1.553 70 HB3 CYS 7 HB3 CYS 7 8.101 0.070 2.637 71 H ARG 8 H ARG 8 8.373 -1.909 -0.606 72 HA ARG 8 HA ARG 8 8.102 -4.484 0.514 73 HB2 ARG 8 HB2 ARG 8 8.696 -4.307 -1.785 74 HB3 ARG 8 HB3 ARG 8 10.043 -3.237 -1.433 75 HG2 ARG 8 HG2 ARG 8 10.190 -5.909 -0.208 76 HG3 ARG 8 HG3 ARG 8 10.293 -5.856 -1.972 77 HD2 ARG 8 HD2 ARG 8 11.997 -4.185 -0.126 78 HD3 ARG 8 HD3 ARG 8 12.499 -5.731 -0.800 79 HE ARG 8 HE ARG 8 11.704 -3.593 -2.637 80 HH11 ARG 8 HH11 ARG 8 14.264 -5.517 -1.209 81 HH12 ARG 8 HH12 ARG 8 15.384 -5.200 -2.493 82 HH21 ARG 8 HH21 ARG 8 13.175 -3.231 -4.344 83 HH22 ARG 8 HH22 ARG 8 14.776 -3.902 -4.264 84 H HIS 9 H HIS 9 8.796 -5.028 2.395 85 HA HIS 9 HA HIS 9 10.412 -5.964 3.721 86 HB2 HIS 9 HB2 HIS 9 12.096 -5.593 1.918 87 HB3 HIS 9 HB3 HIS 9 12.408 -4.000 2.594 88 HD1 HIS 9 HD1 HIS 9 13.072 -7.623 3.141 89 HD2 HIS 9 HD2 HIS 9 13.856 -4.001 5.026 90 HE1 HIS 9 HE1 HIS 9 14.824 -8.125 4.872 91 HE2 HIS 9 HE2 HIS 9 15.240 -5.934 6.046 92 H CYS 10 H CYS 10 10.479 -2.383 3.497 93 HA CYS 10 HA CYS 10 11.165 -2.368 6.333 94 HB2 CYS 10 HB2 CYS 10 11.897 -0.181 6.100 95 HB3 CYS 10 HB3 CYS 10 12.250 -0.860 4.519 96 H GLY 11 H GLY 11 8.444 -2.173 4.373 97 HA2 GLY 11 HA2 GLY 11 6.229 -2.142 4.927 98 HA3 GLY 11 HA3 GLY 11 6.734 -2.215 6.618 99 H VAL 12 H VAL 12 7.646 0.440 4.482 100 HA VAL 12 HA VAL 12 6.073 2.218 6.132 101 HB VAL 12 HB VAL 12 8.284 3.018 5.763 102 HG11 VAL 12 HG11 VAL 12 7.736 2.914 2.810 103 HG12 VAL 12 HG12 VAL 12 8.744 1.763 3.686 104 HG13 VAL 12 HG13 VAL 12 9.222 3.456 3.585 105 HG21 VAL 12 HG21 VAL 12 6.515 4.694 5.734 106 HG22 VAL 12 HG22 VAL 12 6.436 4.539 3.978 107 HG23 VAL 12 HG23 VAL 12 7.897 5.164 4.744 108 H LYS 13 H LYS 13 4.479 3.524 5.432 109 HA LYS 13 HA LYS 13 3.051 2.629 3.071 110 HB2 LYS 13 HB2 LYS 13 2.354 4.768 5.083 111 HB3 LYS 13 HB3 LYS 13 1.279 4.133 3.853 112 HG2 LYS 13 HG2 LYS 13 1.307 1.965 4.915 113 HG3 LYS 13 HG3 LYS 13 2.462 2.542 6.114 114 HD2 LYS 13 HD2 LYS 13 -0.244 3.795 5.711 115 HD3 LYS 13 HD3 LYS 13 0.037 2.471 6.841 116 HE2 LYS 13 HE2 LYS 13 1.400 5.164 6.891 117 HE3 LYS 13 HE3 LYS 13 0.104 4.644 7.965 118 HZ1 LYS 13 HZ1 LYS 13 1.575 2.864 8.761 119 HZ2 LYS 13 HZ2 LYS 13 2.210 4.402 9.059 120 HZ3 LYS 13 HZ3 LYS 13 2.825 3.470 7.793 121 H VAL 14 H VAL 14 4.032 3.366 1.257 122 HA VAL 14 HA VAL 14 5.211 6.003 1.164 123 HB VAL 14 HB VAL 14 5.058 4.833 -1.454 124 HG11 VAL 14 HG11 VAL 14 7.302 5.399 0.459 125 HG12 VAL 14 HG12 VAL 14 6.754 6.386 -0.896 126 HG13 VAL 14 HG13 VAL 14 7.544 4.839 -1.197 127 HG21 VAL 14 HG21 VAL 14 6.362 2.806 -1.112 128 HG22 VAL 14 HG22 VAL 14 4.783 2.676 -0.347 129 HG23 VAL 14 HG23 VAL 14 6.215 2.991 0.635 130 H GLY 15 H GLY 15 2.170 4.647 0.489 131 HA2 GLY 15 HA2 GLY 15 1.410 7.090 -0.989 132 HA3 GLY 15 HA3 GLY 15 0.804 5.509 -1.458 133 H SER 16 H SER 16 1.074 7.437 1.519 134 HA SER 16 HA SER 16 -1.714 7.648 1.902 135 HB2 SER 16 HB2 SER 16 -1.422 5.206 2.435 136 HB3 SER 16 HB3 SER 16 -0.343 5.672 3.748 137 HG SER 16 HG SER 16 -2.151 6.906 4.596 138 H LEU 17 H LEU 17 -1.279 9.767 2.361 139 HA LEU 17 HA LEU 17 -0.114 10.241 4.982 140 HB2 LEU 17 HB2 LEU 17 1.144 12.170 4.262 141 HB3 LEU 17 HB3 LEU 17 1.669 10.752 3.381 142 HG LEU 17 HG LEU 17 -0.343 12.605 2.148 143 HD11 LEU 17 HD11 LEU 17 2.646 12.971 2.062 144 HD12 LEU 17 HD12 LEU 17 1.518 14.005 2.935 145 HD13 LEU 17 HD13 LEU 17 1.446 13.911 1.176 146 HD21 LEU 17 HD21 LEU 17 0.677 11.809 0.078 147 HD22 LEU 17 HD22 LEU 17 0.119 10.456 1.062 148 HD23 LEU 17 HD23 LEU 17 1.836 10.855 1.005 149 H GLU 18 H GLU 18 -1.938 11.497 2.316 150 HA GLU 18 HA GLU 18 -3.237 13.426 4.081 151 HB2 GLU 18 HB2 GLU 18 -4.118 14.421 1.962 152 HB3 GLU 18 HB3 GLU 18 -2.368 14.448 2.105 153 HG2 GLU 18 HG2 GLU 18 -2.297 12.411 0.665 154 HG3 GLU 18 HG3 GLU 18 -4.033 12.595 0.420 155 H SER 19 H SER 19 -3.752 10.518 3.987 156 HA SER 19 HA SER 19 -6.219 9.967 2.750 157 HB2 SER 19 HB2 SER 19 -5.065 8.641 5.207 158 HB3 SER 19 HB3 SER 19 -6.173 7.938 4.031 159 HG SER 19 HG SER 19 -4.130 7.230 3.520 160 H SER 20 H SER 20 -5.438 11.749 5.519 161 HA SER 20 HA SER 20 -7.603 11.347 7.207 162 HB2 SER 20 HB2 SER 20 -6.175 13.965 6.718 163 HB3 SER 20 HB3 SER 20 -7.053 13.496 8.173 164 HG SER 20 HG SER 20 -4.567 13.232 7.906 165 H MET 21 H MET 21 -7.276 13.470 4.393 166 HA MET 21 HA MET 21 -10.147 14.070 4.621 167 HB2 MET 21 HB2 MET 21 -9.688 16.124 3.330 168 HB3 MET 21 HB3 MET 21 -8.856 16.090 4.876 169 HG2 MET 21 HG2 MET 21 -7.567 15.376 2.255 170 HG3 MET 21 HG3 MET 21 -7.526 16.979 2.973 171 HE1 MET 21 HE1 MET 21 -5.460 16.371 6.244 172 HE2 MET 21 HE2 MET 21 -7.214 16.334 6.079 173 HE3 MET 21 HE3 MET 21 -6.276 17.567 5.239 174 H VAL 22 H VAL 22 -7.583 12.854 2.680 175 HA VAL 22 HA VAL 22 -9.302 12.559 0.351 176 HB VAL 22 HB VAL 22 -6.411 11.765 0.764 177 HG11 VAL 22 HG11 VAL 22 -7.497 10.436 -0.948 178 HG12 VAL 22 HG12 VAL 22 -6.328 11.547 -1.659 179 HG13 VAL 22 HG13 VAL 22 -8.053 11.902 -1.750 180 HG21 VAL 22 HG21 VAL 22 -7.611 14.154 -0.626 181 HG22 VAL 22 HG22 VAL 22 -5.902 13.721 -0.633 182 HG23 VAL 22 HG23 VAL 22 -6.692 14.168 0.878 183 H SER 23 H SER 23 -10.787 11.154 1.449 184 HA SER 23 HA SER 23 -9.944 8.631 2.490 185 HB2 SER 23 HB2 SER 23 -12.705 9.482 1.647 186 HB3 SER 23 HB3 SER 23 -12.299 8.169 2.747 187 HG SER 23 HG SER 23 -11.739 9.586 4.291 188 H THR 24 H THR 24 -8.704 7.998 0.638 189 HA THR 24 HA THR 24 -10.363 6.487 -1.263 190 HB THR 24 HB THR 24 -9.267 8.486 -2.352 191 HG1 THR 24 HG1 THR 24 -9.797 6.661 -3.602 192 HG21 THR 24 HG21 THR 24 -6.866 8.402 -2.783 193 HG22 THR 24 HG22 THR 24 -6.728 6.939 -1.810 194 HG23 THR 24 HG23 THR 24 -7.179 8.462 -1.048 195 H ASP 25 H ASP 25 -8.567 6.208 1.325 196 HA ASP 25 HA ASP 25 -6.650 4.221 0.347 197 HB2 ASP 25 HB2 ASP 25 -5.570 4.451 2.509 198 HB3 ASP 25 HB3 ASP 25 -5.838 6.051 1.823 199 H SER 26 H SER 26 -9.610 4.550 2.021 200 HA SER 26 HA SER 26 -9.359 1.883 3.200 201 HB2 SER 26 HB2 SER 26 -9.889 3.780 4.708 202 HB3 SER 26 HB3 SER 26 -11.367 4.066 3.792 203 HG SER 26 HG SER 26 -12.255 2.645 5.051 204 H LEU 27 H LEU 27 -10.558 0.242 2.495 205 HA LEU 27 HA LEU 27 -12.249 0.562 0.215 206 HB2 LEU 27 HB2 LEU 27 -10.619 -1.374 0.909 207 HB3 LEU 27 HB3 LEU 27 -12.002 -1.957 1.812 208 HG LEU 27 HG LEU 27 -12.307 -1.302 -1.071 209 HD11 LEU 27 HD11 LEU 27 -11.148 -3.856 0.027 210 HD12 LEU 27 HD12 LEU 27 -10.329 -2.691 -1.014 211 HD13 LEU 27 HD13 LEU 27 -11.693 -3.620 -1.634 212 HD21 LEU 27 HD21 LEU 27 -14.300 -1.830 0.219 213 HD22 LEU 27 HD22 LEU 27 -13.573 -3.346 0.749 214 HD23 LEU 27 HD23 LEU 27 -13.974 -3.107 -0.952 215 H GLY 28 H GLY 28 -14.437 0.485 0.130 216 HA2 GLY 28 HA2 GLY 28 -15.927 0.913 2.544 217 HA3 GLY 28 HA3 GLY 28 -16.584 0.776 0.919 218 H PHE 29 H PHE 29 -15.303 -1.076 3.611 219 HA PHE 29 HA PHE 29 -15.817 -3.650 2.808 220 HB2 PHE 29 HB2 PHE 29 -16.155 -2.517 5.584 221 HB3 PHE 29 HB3 PHE 29 -15.920 -4.211 5.203 222 HD1 PHE 29 HD1 PHE 29 -14.337 -1.530 6.519 223 HD2 PHE 29 HD2 PHE 29 -13.763 -4.433 3.461 224 HE1 PHE 29 HE1 PHE 29 -11.909 -1.179 6.651 225 HE2 PHE 29 HE2 PHE 29 -11.334 -4.094 3.592 226 HZ PHE 29 HZ PHE 29 -10.400 -2.468 5.187 227 H GLN 30 H GLN 30 -17.955 -1.965 5.083 228 HA GLN 30 HA GLN 30 -20.281 -2.951 3.635 229 HB2 GLN 30 HB2 GLN 30 -19.675 -3.505 6.540 230 HB3 GLN 30 HB3 GLN 30 -21.308 -3.561 5.894 231 HG2 GLN 30 HG2 GLN 30 -20.565 -5.254 4.294 232 HG3 GLN 30 HG3 GLN 30 -18.980 -5.259 5.056 233 HE21 GLN 30 HE21 GLN 30 -20.937 -7.412 4.787 234 HE22 GLN 30 HE22 GLN 30 -21.283 -7.941 6.397 235 H HIS 31 H HIS 31 -20.126 -1.728 6.869 236 HA HIS 31 HA HIS 31 -21.038 0.924 6.023 237 HB2 HIS 31 HB2 HIS 31 -23.019 -0.650 6.359 238 HB3 HIS 31 HB3 HIS 31 -22.587 -0.678 8.063 239 HD1 HIS 31 HD1 HIS 31 -23.954 0.877 9.381 240 HD2 HIS 31 HD2 HIS 31 -23.340 2.276 5.518 241 HE1 HIS 31 HE1 HIS 31 -25.221 3.043 9.238 242 HE2 HIS 31 HE2 HIS 31 -25.011 3.746 6.828 243 H LEU 32 H LEU 32 -18.696 1.012 6.880 244 HA LEU 32 HA LEU 32 -18.513 0.946 9.781 245 HB2 LEU 32 HB2 LEU 32 -16.460 1.379 7.630 246 HB3 LEU 32 HB3 LEU 32 -16.094 1.604 9.318 247 HG LEU 32 HG LEU 32 -15.288 -0.548 8.584 248 HD11 LEU 32 HD11 LEU 32 -16.147 -0.400 10.864 249 HD12 LEU 32 HD12 LEU 32 -16.361 -2.010 10.176 250 HD13 LEU 32 HD13 LEU 32 -17.736 -0.913 10.295 251 HD21 LEU 32 HD21 LEU 32 -18.130 -1.183 7.821 252 HD22 LEU 32 HD22 LEU 32 -16.754 -2.284 7.748 253 HD23 LEU 32 HD23 LEU 32 -16.808 -0.866 6.698 254 H THR 33 H THR 33 -16.889 3.308 7.699 255 HA THR 33 HA THR 33 -18.132 5.425 9.333 256 HB THR 33 HB THR 33 -16.181 6.794 8.912 257 HG1 THR 33 HG1 THR 33 -14.999 4.612 7.519 258 HG21 THR 33 HG21 THR 33 -16.024 5.253 10.793 259 HG22 THR 33 HG22 THR 33 -14.447 5.463 10.033 260 HG23 THR 33 HG23 THR 33 -15.384 4.001 9.729 261 H ASN 34 H ASN 34 -17.801 7.659 7.981 262 HA ASN 34 HA ASN 34 -19.540 7.515 5.756 263 HB2 ASN 34 HB2 ASN 34 -19.176 9.854 5.464 264 HB3 ASN 34 HB3 ASN 34 -19.125 9.564 7.198 265 HD21 ASN 34 HD21 ASN 34 -17.185 9.804 8.298 266 HD22 ASN 34 HD22 ASN 34 -15.805 10.569 7.588 267 H GLU 35 H GLU 35 -16.119 7.231 6.124 268 HA GLU 35 HA GLU 35 -15.316 7.761 3.468 269 HB2 GLU 35 HB2 GLU 35 -13.948 5.828 5.334 270 HB3 GLU 35 HB3 GLU 35 -13.221 6.836 4.087 271 HG2 GLU 35 HG2 GLU 35 -13.993 8.816 5.454 272 HG3 GLU 35 HG3 GLU 35 -14.319 7.674 6.748 273 H GLU 36 H GLU 36 -16.053 4.778 5.208 274 HA GLU 36 HA GLU 36 -15.783 3.047 2.993 275 HB2 GLU 36 HB2 GLU 36 -17.264 2.817 5.596 276 HB3 GLU 36 HB3 GLU 36 -17.339 1.545 4.390 277 HG2 GLU 36 HG2 GLU 36 -15.680 0.940 5.933 278 HG3 GLU 36 HG3 GLU 36 -14.843 1.440 4.471 279 H ARG 37 H ARG 37 -18.473 4.924 4.216 280 HA ARG 37 HA ARG 37 -20.507 3.868 2.589 281 HB2 ARG 37 HB2 ARG 37 -20.194 6.684 3.638 282 HB3 ARG 37 HB3 ARG 37 -21.663 6.044 2.917 283 HG2 ARG 37 HG2 ARG 37 -21.790 4.372 4.720 284 HG3 ARG 37 HG3 ARG 37 -20.357 5.095 5.457 285 HD2 ARG 37 HD2 ARG 37 -21.592 7.257 5.571 286 HD3 ARG 37 HD3 ARG 37 -23.030 6.411 5.004 287 HE ARG 37 HE ARG 37 -21.827 5.250 7.349 288 HH11 ARG 37 HH11 ARG 37 -24.123 7.601 6.147 289 HH12 ARG 37 HH12 ARG 37 -25.021 7.671 7.629 290 HH21 ARG 37 HH21 ARG 37 -23.004 5.343 9.307 291 HH22 ARG 37 HH22 ARG 37 -24.378 6.393 9.428 292 H ASN 38 H ASN 38 -18.002 6.210 1.923 293 HA ASN 38 HA ASN 38 -19.137 7.155 -0.520 294 HB2 ASN 38 HB2 ASN 38 -17.580 8.525 0.777 295 HB3 ASN 38 HB3 ASN 38 -16.310 7.333 0.544 296 HD21 ASN 38 HD21 ASN 38 -18.586 8.367 -1.947 297 HD22 ASN 38 HD22 ASN 38 -17.408 9.137 -2.944 298 H ASP 39 H ASP 39 -16.715 4.734 0.327 299 HA ASP 39 HA ASP 39 -16.147 4.070 -2.416 300 HB2 ASP 39 HB2 ASP 39 -14.462 3.830 -0.593 301 HB3 ASP 39 HB3 ASP 39 -15.427 2.523 0.082 302 H MET 40 H MET 40 -18.689 3.408 -0.372 303 HA MET 40 HA MET 40 -19.207 0.673 -0.747 304 HB2 MET 40 HB2 MET 40 -20.276 2.037 0.995 305 HB3 MET 40 HB3 MET 40 -21.148 2.938 -0.234 306 HG2 MET 40 HG2 MET 40 -22.204 0.744 -0.909 307 HG3 MET 40 HG3 MET 40 -21.509 0.067 0.561 308 HE1 MET 40 HE1 MET 40 -21.727 2.380 2.649 309 HE2 MET 40 HE2 MET 40 -22.249 0.736 3.008 310 HE3 MET 40 HE3 MET 40 -23.312 2.096 3.363 311 H ILE 41 H ILE 41 -19.394 3.212 -2.978 312 HA ILE 41 HA ILE 41 -21.418 2.523 -4.725 313 HB ILE 41 HB ILE 41 -19.972 4.491 -5.005 314 HG12 ILE 41 HG12 ILE 41 -19.903 2.658 -7.413 315 HG13 ILE 41 HG13 ILE 41 -21.260 3.674 -6.940 316 HG21 ILE 41 HG21 ILE 41 -17.842 3.519 -4.404 317 HG22 ILE 41 HG22 ILE 41 -17.738 4.265 -6.000 318 HG23 ILE 41 HG23 ILE 41 -17.867 2.512 -5.853 319 HD11 ILE 41 HD11 ILE 41 -19.889 5.663 -7.304 320 HD12 ILE 41 HD12 ILE 41 -20.012 4.676 -8.759 321 HD13 ILE 41 HD13 ILE 41 -18.538 4.638 -7.791 322 H SER 42 H SER 42 -21.363 1.227 -6.718 323 HA SER 42 HA SER 42 -20.422 -1.410 -6.069 324 HB2 SER 42 HB2 SER 42 -22.656 -0.752 -7.154 325 HB3 SER 42 HB3 SER 42 -21.748 -0.630 -8.654 326 HG SER 42 HG SER 42 -21.030 -2.844 -8.175 327 H TYR 43 H TYR 43 -18.341 0.422 -6.573 328 HA TYR 43 HA TYR 43 -16.687 -1.183 -8.189 329 HB2 TYR 43 HB2 TYR 43 -17.874 0.078 -9.996 330 HB3 TYR 43 HB3 TYR 43 -17.275 1.577 -9.296 331 HD1 TYR 43 HD1 TYR 43 -16.472 -1.339 -11.310 332 HD2 TYR 43 HD2 TYR 43 -14.835 2.090 -9.397 333 HE1 TYR 43 HE1 TYR 43 -14.425 -1.577 -12.649 334 HE2 TYR 43 HE2 TYR 43 -12.784 1.866 -10.735 335 HH TYR 43 HH TYR 43 -11.557 0.126 -11.952 336 H LYS 44 H LYS 44 -15.062 -1.187 -6.823 337 HA LYS 44 HA LYS 44 -14.654 0.486 -4.699 338 HB2 LYS 44 HB2 LYS 44 -12.619 -1.141 -6.222 339 HB3 LYS 44 HB3 LYS 44 -12.334 -0.427 -4.643 340 HG2 LYS 44 HG2 LYS 44 -14.052 -1.799 -3.661 341 HG3 LYS 44 HG3 LYS 44 -14.491 -2.441 -5.244 342 HD2 LYS 44 HD2 LYS 44 -12.276 -3.423 -5.465 343 HD3 LYS 44 HD3 LYS 44 -11.814 -2.765 -3.897 344 HE2 LYS 44 HE2 LYS 44 -13.448 -4.144 -2.789 345 HE3 LYS 44 HE3 LYS 44 -14.063 -4.723 -4.338 346 HZ1 LYS 44 HZ1 LYS 44 -12.018 -5.839 -4.757 347 HZ2 LYS 44 HZ2 LYS 44 -12.520 -6.281 -3.205 348 HZ3 LYS 44 HZ3 LYS 44 -11.273 -5.153 -3.402 349 H GLU 45 H GLU 45 -14.414 2.614 -4.754 350 HA GLU 45 HA GLU 45 -13.155 3.975 -6.939 351 HB2 GLU 45 HB2 GLU 45 -15.045 4.938 -5.629 352 HB3 GLU 45 HB3 GLU 45 -13.982 5.082 -4.246 353 HG2 GLU 45 HG2 GLU 45 -12.596 6.608 -5.481 354 HG3 GLU 45 HG3 GLU 45 -13.614 6.442 -6.898 355 H ASN 46 H ASN 46 -12.252 2.854 -3.787 356 HA ASN 46 HA ASN 46 -9.834 4.250 -3.453 357 HB2 ASN 46 HB2 ASN 46 -9.268 2.592 -1.811 358 HB3 ASN 46 HB3 ASN 46 -11.003 2.869 -1.706 359 HD21 ASN 46 HD21 ASN 46 -12.427 1.275 -2.445 360 HD22 ASN 46 HD22 ASN 46 -11.902 -0.364 -2.663 361 H GLY 47 H GLY 47 -10.691 1.798 -5.671 362 HA2 GLY 47 HA2 GLY 47 -9.365 1.502 -7.623 363 HA3 GLY 47 HA3 GLY 47 -7.928 1.838 -6.660 364 H ASP 48 H ASP 48 -9.097 -0.040 -4.551 365 HA ASP 48 HA ASP 48 -8.496 -2.112 -3.840 366 HB2 ASP 48 HB2 ASP 48 -10.434 -2.675 -5.309 367 HB3 ASP 48 HB3 ASP 48 -9.308 -2.936 -6.628 368 H VAL 49 H VAL 49 -6.359 -0.875 -4.153 369 HA VAL 49 HA VAL 49 -4.554 -2.519 -5.757 370 HB VAL 49 HB VAL 49 -3.372 -0.075 -5.979 371 HG11 VAL 49 HG11 VAL 49 -5.189 -1.610 -7.805 372 HG12 VAL 49 HG12 VAL 49 -3.429 -1.448 -7.852 373 HG13 VAL 49 HG13 VAL 49 -4.453 -0.087 -8.320 374 HG21 VAL 49 HG21 VAL 49 -6.353 0.358 -6.204 375 HG22 VAL 49 HG22 VAL 49 -5.136 1.474 -6.813 376 HG23 VAL 49 HG23 VAL 49 -5.252 1.157 -5.080 377 H HIS 50 H HIS 50 -3.259 -3.392 -4.372 378 HA HIS 50 HA HIS 50 -2.085 -1.788 -2.200 379 HB2 HIS 50 HB2 HIS 50 -3.744 -3.555 -1.437 380 HB3 HIS 50 HB3 HIS 50 -2.663 -4.761 -2.116 381 HD1 HIS 50 HD1 HIS 50 -3.499 -3.267 0.967 382 HD2 HIS 50 HD2 HIS 50 0.073 -4.470 -0.791 383 HE1 HIS 50 HE1 HIS 50 -1.882 -3.590 2.862 384 HE2 HIS 50 HE2 HIS 50 0.230 -4.435 1.790 385 H VAL 51 H VAL 51 -0.226 -1.301 -3.343 386 HA VAL 51 HA VAL 51 1.212 -3.544 -4.589 387 HB VAL 51 HB VAL 51 2.466 -1.724 -5.826 388 HG11 VAL 51 HG11 VAL 51 0.764 -2.998 -6.958 389 HG12 VAL 51 HG12 VAL 51 0.620 -1.300 -7.422 390 HG13 VAL 51 HG13 VAL 51 -0.502 -1.993 -6.251 391 HG21 VAL 51 HG21 VAL 51 1.949 0.121 -4.359 392 HG22 VAL 51 HG22 VAL 51 0.236 -0.024 -4.757 393 HG23 VAL 51 HG23 VAL 51 1.395 0.448 -6.000 394 H LEU 52 H LEU 52 3.252 -4.025 -4.052 395 HA LEU 52 HA LEU 52 4.424 -2.558 -1.806 396 HB2 LEU 52 HB2 LEU 52 4.663 -5.354 -2.816 397 HB3 LEU 52 HB3 LEU 52 6.039 -4.658 -1.976 398 HG LEU 52 HG LEU 52 4.668 -4.276 0.008 399 HD11 LEU 52 HD11 LEU 52 2.523 -3.871 -1.058 400 HD12 LEU 52 HD12 LEU 52 2.387 -5.153 0.145 401 HD13 LEU 52 HD13 LEU 52 2.442 -5.556 -1.571 402 HD21 LEU 52 HD21 LEU 52 4.437 -7.087 -1.051 403 HD22 LEU 52 HD22 LEU 52 4.287 -6.605 0.639 404 HD23 LEU 52 HD23 LEU 52 5.823 -6.403 -0.202 405 H THR 53 H THR 53 5.929 -1.139 -2.228 406 HA THR 53 HA THR 53 7.536 -1.419 -4.670 407 HB THR 53 HB THR 53 5.623 0.096 -5.117 408 HG1 THR 53 HG1 THR 53 7.285 2.066 -5.391 409 HG21 THR 53 HG21 THR 53 6.852 1.857 -2.996 410 HG22 THR 53 HG22 THR 53 5.350 0.951 -2.821 411 HG23 THR 53 HG23 THR 53 5.462 2.250 -4.009 412 H ILE 54 H ILE 54 9.162 0.588 -4.617 413 HA ILE 54 HA ILE 54 10.640 0.274 -2.115 414 HB ILE 54 HB ILE 54 11.390 1.139 -4.891 415 HG12 ILE 54 HG12 ILE 54 12.806 -0.826 -3.117 416 HG13 ILE 54 HG13 ILE 54 11.391 -1.305 -4.039 417 HG21 ILE 54 HG21 ILE 54 13.100 1.453 -2.438 418 HG22 ILE 54 HG22 ILE 54 12.435 2.755 -3.424 419 HG23 ILE 54 HG23 ILE 54 13.640 1.661 -4.103 420 HD11 ILE 54 HD11 ILE 54 13.962 -0.206 -5.150 421 HD12 ILE 54 HD12 ILE 54 12.540 -0.625 -6.103 422 HD13 ILE 54 HD13 ILE 54 13.417 -1.880 -5.229 423 H CYS 55 H CYS 55 10.647 1.828 -0.635 424 HA CYS 55 HA CYS 55 9.592 4.450 -1.200 425 HB2 CYS 55 HB2 CYS 55 9.811 4.890 1.140 426 HB3 CYS 55 HB3 CYS 55 9.238 3.235 0.990 427 H GLU 56 H GLU 56 10.925 6.352 -0.186 428 HA GLU 56 HA GLU 56 13.191 6.797 -1.736 429 HB2 GLU 56 HB2 GLU 56 11.841 8.564 -0.639 430 HB3 GLU 56 HB3 GLU 56 12.486 8.069 0.918 431 HG2 GLU 56 HG2 GLU 56 14.770 8.587 0.003 432 HG3 GLU 56 HG3 GLU 56 13.955 9.322 -1.377 433 H ASP 57 H ASP 57 12.885 5.763 1.621 434 HA ASP 57 HA ASP 57 15.570 5.662 2.333 435 HB2 ASP 57 HB2 ASP 57 14.044 5.474 4.094 436 HB3 ASP 57 HB3 ASP 57 13.127 4.206 3.292 437 H CYS 58 H CYS 58 13.554 3.061 0.932 438 HA CYS 58 HA CYS 58 15.733 1.214 1.072 439 HB2 CYS 58 HB2 CYS 58 13.061 0.961 -0.332 440 HB3 CYS 58 HB3 CYS 58 14.269 -0.314 -0.248 441 H GLN 59 H GLN 59 14.343 3.199 -1.523 442 HA GLN 59 HA GLN 59 15.966 2.435 -3.626 443 HB2 GLN 59 HB2 GLN 59 14.092 4.167 -3.504 444 HB3 GLN 59 HB3 GLN 59 15.313 5.311 -2.991 445 HG2 GLN 59 HG2 GLN 59 15.127 3.891 -5.646 446 HG3 GLN 59 HG3 GLN 59 14.871 5.597 -5.327 447 HE21 GLN 59 HE21 GLN 59 16.678 6.907 -4.795 448 HE22 GLN 59 HE22 GLN 59 18.262 6.452 -5.321 449 H GLU 60 H GLU 60 16.749 4.570 -0.864 450 HA GLU 60 HA GLU 60 19.320 5.088 -1.921 451 HB2 GLU 60 HB2 GLU 60 17.965 5.572 0.712 452 HB3 GLU 60 HB3 GLU 60 19.640 5.916 0.470 453 HG2 GLU 60 HG2 GLU 60 19.048 7.414 -1.396 454 HG3 GLU 60 HG3 GLU 60 17.369 7.111 -0.992 455 H ALA 61 H ALA 61 17.991 2.818 0.412 456 HA ALA 61 HA ALA 61 20.331 1.503 1.171 457 HB1 ALA 61 HB1 ALA 61 18.119 0.963 2.091 458 HB2 ALA 61 HB2 ALA 61 18.923 -0.480 1.471 459 HB3 ALA 61 HB3 ALA 61 17.638 0.285 0.535 460 H LEU 62 H LEU 62 18.582 1.659 -1.747 461 HA LEU 62 HA LEU 62 19.747 -0.579 -3.121 462 HB2 LEU 62 HB2 LEU 62 18.033 1.765 -3.834 463 HB3 LEU 62 HB3 LEU 62 18.711 0.794 -5.092 464 HG LEU 62 HG LEU 62 16.303 0.436 -3.672 465 HD11 LEU 62 HD11 LEU 62 16.561 0.003 -6.011 466 HD12 LEU 62 HD12 LEU 62 16.001 -1.463 -5.207 467 HD13 LEU 62 HD13 LEU 62 17.692 -1.310 -5.684 468 HD21 LEU 62 HD21 LEU 62 18.183 -1.866 -3.201 469 HD22 LEU 62 HD22 LEU 62 16.454 -1.840 -2.854 470 HD23 LEU 62 HD23 LEU 62 17.546 -0.777 -1.968 471 H ASP 63 H ASP 63 19.900 2.930 -3.584 472 HA ASP 63 HA ASP 63 21.923 2.738 -5.570 473 HB2 ASP 63 HB2 ASP 63 20.328 4.500 -5.747 474 HB3 ASP 63 HB3 ASP 63 20.693 5.101 -4.136 475 H ARG 64 H ARG 64 22.038 3.178 -2.109 476 HA ARG 64 HA ARG 64 24.807 4.087 -2.259 477 HB2 ARG 64 HB2 ARG 64 23.041 3.647 0.149 478 HB3 ARG 64 HB3 ARG 64 24.659 4.333 0.187 479 HG2 ARG 64 HG2 ARG 64 23.891 6.214 -1.175 480 HG3 ARG 64 HG3 ARG 64 22.270 5.521 -1.209 481 HD2 ARG 64 HD2 ARG 64 23.772 6.484 1.223 482 HD3 ARG 64 HD3 ARG 64 22.382 7.259 0.466 483 HE ARG 64 HE ARG 64 21.917 4.549 1.349 484 HH11 ARG 64 HH11 ARG 64 21.773 7.941 2.200 485 HH12 ARG 64 HH12 ARG 64 20.631 7.702 3.481 486 HH21 ARG 64 HH21 ARG 64 20.423 4.230 3.042 487 HH22 ARG 64 HH22 ARG 64 19.867 5.593 3.964 488 H ASN 65 H ASN 65 23.041 1.178 -1.720 489 HA ASN 65 HA ASN 65 25.580 -0.214 -1.212 490 HB2 ASN 65 HB2 ASN 65 22.959 -0.740 0.206 491 HB3 ASN 65 HB3 ASN 65 24.354 -1.809 0.278 492 HD21 ASN 65 HD21 ASN 65 26.178 -1.171 1.437 493 HD22 ASN 65 HD22 ASN 65 26.126 0.129 2.576 494 HA PRO 66 HA PRO 66 24.372 -2.344 -4.917 495 HB2 PRO 66 HB2 PRO 66 26.037 -4.513 -3.750 496 HB3 PRO 66 HB3 PRO 66 26.122 -3.765 -5.347 497 HG2 PRO 66 HG2 PRO 66 27.919 -3.187 -3.470 498 HG3 PRO 66 HG3 PRO 66 27.318 -1.942 -4.579 499 HD2 PRO 66 HD2 PRO 66 26.656 -2.406 -1.707 500 HD3 PRO 66 HD3 PRO 66 26.792 -0.882 -2.607 501 H HIS 67 H HIS 67 22.251 -2.855 -4.689 502 HA HIS 67 HA HIS 67 20.393 -4.114 -4.393 503 HB2 HIS 67 HB2 HIS 67 22.386 -6.340 -3.924 504 HB3 HIS 67 HB3 HIS 67 20.652 -6.576 -4.105 505 HD1 HIS 67 HD1 HIS 67 19.675 -6.409 -6.470 506 HD2 HIS 67 HD2 HIS 67 23.768 -5.711 -6.289 507 HE1 HIS 67 HE1 HIS 67 20.473 -6.461 -8.854 508 HE2 HIS 67 HE2 HIS 67 22.900 -5.789 -8.724 509 H TYR 68 H TYR 68 21.684 -2.724 -2.183 510 HA TYR 68 HA TYR 68 21.639 -2.468 0.057 511 HB2 TYR 68 HB2 TYR 68 19.231 -2.338 -0.366 512 HB3 TYR 68 HB3 TYR 68 19.096 -4.086 -0.203 513 HD1 TYR 68 HD1 TYR 68 17.749 -4.399 1.677 514 HD2 TYR 68 HD2 TYR 68 21.004 -1.669 1.896 515 HE1 TYR 68 HE1 TYR 68 17.387 -4.167 4.098 516 HE2 TYR 68 HE2 TYR 68 20.649 -1.431 4.314 517 HH TYR 68 HH TYR 68 18.594 -3.512 6.086 518 H HIS 69 H HIS 69 23.552 -3.991 -0.165 519 HA HIS 69 HA HIS 69 24.875 -5.497 0.893 520 HB2 HIS 69 HB2 HIS 69 22.497 -5.729 2.746 521 HB3 HIS 69 HB3 HIS 69 24.037 -6.522 3.032 522 HD1 HIS 69 HD1 HIS 69 25.809 -5.174 4.203 523 HD2 HIS 69 HD2 HIS 69 22.661 -2.832 2.824 524 HE1 HIS 69 HE1 HIS 69 26.203 -2.878 5.149 525 HE2 HIS 69 HE2 HIS 69 24.197 -1.530 4.447 526 H GLU 70 H GLU 70 24.650 -7.965 1.836 527 HA GLU 70 HA GLU 70 23.372 -9.410 -0.377 528 HB2 GLU 70 HB2 GLU 70 25.735 -10.088 1.363 529 HB3 GLU 70 HB3 GLU 70 24.974 -11.257 0.297 530 HG2 GLU 70 HG2 GLU 70 26.165 -8.647 -0.597 531 HG3 GLU 70 HG3 GLU 70 26.980 -10.207 -0.668 532 H TYR 71 H TYR 71 23.127 -11.899 0.440 533 HA TYR 71 HA TYR 71 20.984 -11.759 2.343 534 HB2 TYR 71 HB2 TYR 71 20.851 -13.259 0.394 535 HB3 TYR 71 HB3 TYR 71 22.236 -14.166 0.994 536 HD1 TYR 71 HD1 TYR 71 18.708 -13.295 1.696 537 HD2 TYR 71 HD2 TYR 71 21.969 -15.862 2.631 538 HE1 TYR 71 HE1 TYR 71 17.196 -14.737 2.992 539 HE2 TYR 71 HE2 TYR 71 20.465 -17.311 3.928 540 HH TYR 71 HH TYR 71 17.117 -17.126 3.742 541 H HIS 72 H HIS 72 23.978 -13.693 2.228 542 HA HIS 72 HA HIS 72 24.406 -13.242 5.058 543 HB2 HIS 72 HB2 HIS 72 22.838 -15.167 5.016 544 HB3 HIS 72 HB3 HIS 72 23.977 -16.051 4.010 545 HD1 HIS 72 HD1 HIS 72 23.189 -15.237 7.507 546 HD2 HIS 72 HD2 HIS 72 26.397 -16.809 5.383 547 HE1 HIS 72 HE1 HIS 72 24.671 -16.321 9.225 548 HE2 HIS 72 HE2 HIS 72 26.516 -17.406 7.896 549 H THR 73 H THR 73 25.390 -15.118 2.204 550 HA THR 73 HA THR 73 28.149 -15.097 3.183 551 HB THR 73 HB THR 73 27.106 -16.596 0.782 552 HG1 THR 73 HG1 THR 73 25.944 -17.614 2.259 553 HG21 THR 73 HG21 THR 73 29.012 -18.068 1.255 554 HG22 THR 73 HG22 THR 73 29.460 -17.048 2.620 555 HG23 THR 73 HG23 THR 73 29.538 -16.408 0.979 Start of MODEL 15 1 H1 GLN -1 H1 GLN -1 -8.851 14.283 -7.646 2 H2 GLN -1 H2 GLN -1 -10.269 13.370 -7.581 3 H3 GLN -1 H3 GLN -1 -9.171 13.139 -8.848 4 HA GLN -1 HA GLN -1 -8.664 12.573 -5.993 5 HB2 GLN -1 HB2 GLN -1 -9.105 10.706 -8.334 6 HB3 GLN -1 HB3 GLN -1 -8.540 10.195 -6.755 7 HG2 GLN -1 HG2 GLN -1 -10.841 9.692 -6.861 8 HG3 GLN -1 HG3 GLN -1 -10.679 11.093 -5.806 9 HE21 GLN -1 HE21 GLN -1 -12.798 11.717 -6.133 10 HE22 GLN -1 HE22 GLN -1 -13.341 12.417 -7.617 11 H SER 0 H SER 0 -6.590 12.759 -5.508 12 HA SER 0 HA SER 0 -4.609 12.502 -7.667 13 HB2 SER 0 HB2 SER 0 -4.311 13.775 -4.935 14 HB3 SER 0 HB3 SER 0 -3.097 13.771 -6.215 15 HG SER 0 HG SER 0 -5.699 14.877 -6.506 16 H MET 1 H MET 1 -5.644 10.171 -6.835 17 HA MET 1 HA MET 1 -3.389 8.862 -5.552 18 HB2 MET 1 HB2 MET 1 -4.760 7.702 -3.911 19 HB3 MET 1 HB3 MET 1 -4.936 9.437 -3.690 20 HG2 MET 1 HG2 MET 1 -7.056 9.309 -5.002 21 HG3 MET 1 HG3 MET 1 -6.892 7.555 -4.988 22 HE1 MET 1 HE1 MET 1 -9.246 7.214 -3.902 23 HE2 MET 1 HE2 MET 1 -9.518 8.956 -3.942 24 HE3 MET 1 HE3 MET 1 -9.801 8.053 -2.452 25 H ALA 2 H ALA 2 -3.495 6.503 -5.846 26 HA ALA 2 HA ALA 2 -5.490 5.575 -7.755 27 HB1 ALA 2 HB1 ALA 2 -3.868 4.673 -9.296 28 HB2 ALA 2 HB2 ALA 2 -2.548 5.270 -8.294 29 HB3 ALA 2 HB3 ALA 2 -3.613 6.409 -9.117 30 H LEU 3 H LEU 3 -2.407 4.321 -6.615 31 HA LEU 3 HA LEU 3 -3.873 2.116 -5.337 32 HB2 LEU 3 HB2 LEU 3 -1.185 1.977 -6.694 33 HB3 LEU 3 HB3 LEU 3 -1.882 0.694 -5.760 34 HG LEU 3 HG LEU 3 -3.815 0.738 -7.430 35 HD11 LEU 3 HD11 LEU 3 -1.728 2.209 -8.993 36 HD12 LEU 3 HD12 LEU 3 -3.244 2.880 -8.405 37 HD13 LEU 3 HD13 LEU 3 -3.261 1.600 -9.620 38 HD21 LEU 3 HD21 LEU 3 -1.050 -0.131 -8.250 39 HD22 LEU 3 HD22 LEU 3 -2.549 -0.677 -9.002 40 HD23 LEU 3 HD23 LEU 3 -2.213 -1.070 -7.315 41 H HIS 4 H HIS 4 -2.802 1.151 -3.486 42 HA HIS 4 HA HIS 4 -1.646 3.301 -1.855 43 HB2 HIS 4 HB2 HIS 4 -2.528 0.524 -1.053 44 HB3 HIS 4 HB3 HIS 4 -1.978 1.762 0.051 45 HD1 HIS 4 HD1 HIS 4 -4.047 2.148 1.395 46 HD2 HIS 4 HD2 HIS 4 -4.782 2.291 -2.696 47 HE1 HIS 4 HE1 HIS 4 -6.445 2.856 1.160 48 HE2 HIS 4 HE2 HIS 4 -6.912 2.799 -1.313 49 H TYR 5 H TYR 5 0.461 3.423 -1.537 50 HA TYR 5 HA TYR 5 2.170 1.228 -2.403 51 HB2 TYR 5 HB2 TYR 5 2.663 4.112 -1.720 52 HB3 TYR 5 HB3 TYR 5 4.003 2.968 -1.829 53 HD1 TYR 5 HD1 TYR 5 1.101 2.731 -4.106 54 HD2 TYR 5 HD2 TYR 5 5.062 4.175 -3.590 55 HE1 TYR 5 HE1 TYR 5 1.240 3.195 -6.508 56 HE2 TYR 5 HE2 TYR 5 5.224 4.614 -5.986 57 HH TYR 5 HH TYR 5 2.489 4.592 -8.038 58 H TYR 6 H TYR 6 2.871 -0.214 -1.016 59 HA TYR 6 HA TYR 6 3.538 0.661 1.714 60 HB2 TYR 6 HB2 TYR 6 2.376 -2.025 0.923 61 HB3 TYR 6 HB3 TYR 6 2.856 -1.547 2.549 62 HD1 TYR 6 HD1 TYR 6 0.149 -1.864 0.361 63 HD2 TYR 6 HD2 TYR 6 1.671 0.693 3.407 64 HE1 TYR 6 HE1 TYR 6 -2.113 -0.993 0.752 65 HE2 TYR 6 HE2 TYR 6 -0.596 1.566 3.800 66 HH TYR 6 HH TYR 6 -3.359 0.099 2.662 67 H CYS 7 H CYS 7 5.616 0.127 2.329 68 HA CYS 7 HA CYS 7 7.253 -0.544 0.101 69 HB2 CYS 7 HB2 CYS 7 7.948 1.126 1.839 70 HB3 CYS 7 HB3 CYS 7 8.236 -0.217 2.919 71 H ARG 8 H ARG 8 8.480 -2.181 -0.343 72 HA ARG 8 HA ARG 8 8.185 -4.772 0.579 73 HB2 ARG 8 HB2 ARG 8 9.313 -4.211 -1.499 74 HB3 ARG 8 HB3 ARG 8 10.574 -3.361 -0.623 75 HG2 ARG 8 HG2 ARG 8 11.079 -5.620 0.467 76 HG3 ARG 8 HG3 ARG 8 10.091 -6.308 -0.828 77 HD2 ARG 8 HD2 ARG 8 12.458 -6.307 -1.433 78 HD3 ARG 8 HD3 ARG 8 11.532 -5.251 -2.494 79 HE ARG 8 HE ARG 8 12.495 -3.382 -1.418 80 HH11 ARG 8 HH11 ARG 8 13.786 -6.430 -0.277 81 HH12 ARG 8 HH12 ARG 8 15.218 -5.715 0.393 82 HH21 ARG 8 HH21 ARG 8 14.372 -2.438 -0.502 83 HH22 ARG 8 HH22 ARG 8 15.553 -3.450 0.271 84 H HIS 9 H HIS 9 8.383 -5.370 2.604 85 HA HIS 9 HA HIS 9 9.490 -6.184 4.423 86 HB2 HIS 9 HB2 HIS 9 11.618 -6.145 3.181 87 HB3 HIS 9 HB3 HIS 9 11.829 -4.451 3.606 88 HD1 HIS 9 HD1 HIS 9 12.936 -3.957 5.812 89 HD2 HIS 9 HD2 HIS 9 11.798 -7.937 5.454 90 HE1 HIS 9 HE1 HIS 9 13.924 -5.121 7.804 91 HE2 HIS 9 HE2 HIS 9 13.134 -7.505 7.628 92 H CYS 10 H CYS 10 9.935 -2.705 3.865 93 HA CYS 10 HA CYS 10 9.967 -2.039 6.629 94 HB2 CYS 10 HB2 CYS 10 9.226 -0.265 4.323 95 HB3 CYS 10 HB3 CYS 10 9.744 0.264 5.910 96 H GLY 11 H GLY 11 7.439 -2.350 4.230 97 HA2 GLY 11 HA2 GLY 11 5.152 -2.422 4.466 98 HA3 GLY 11 HA3 GLY 11 5.379 -2.318 6.220 99 H VAL 12 H VAL 12 7.104 0.176 5.009 100 HA VAL 12 HA VAL 12 5.335 2.084 5.998 101 HB VAL 12 HB VAL 12 7.593 2.656 6.202 102 HG11 VAL 12 HG11 VAL 12 7.921 2.618 3.213 103 HG12 VAL 12 HG12 VAL 12 8.355 1.264 4.254 104 HG13 VAL 12 HG13 VAL 12 9.176 2.808 4.440 105 HG21 VAL 12 HG21 VAL 12 6.133 4.535 5.682 106 HG22 VAL 12 HG22 VAL 12 6.507 4.320 3.971 107 HG23 VAL 12 HG23 VAL 12 7.778 4.789 5.100 108 H LYS 13 H LYS 13 3.968 3.416 5.169 109 HA LYS 13 HA LYS 13 2.860 2.840 2.606 110 HB2 LYS 13 HB2 LYS 13 2.236 5.174 4.420 111 HB3 LYS 13 HB3 LYS 13 1.203 4.503 3.168 112 HG2 LYS 13 HG2 LYS 13 1.041 2.418 4.467 113 HG3 LYS 13 HG3 LYS 13 2.013 3.156 5.736 114 HD2 LYS 13 HD2 LYS 13 0.316 4.882 6.048 115 HD3 LYS 13 HD3 LYS 13 -0.654 4.172 4.756 116 HE2 LYS 13 HE2 LYS 13 -1.525 3.484 6.904 117 HE3 LYS 13 HE3 LYS 13 -0.834 2.093 6.072 118 HZ1 LYS 13 HZ1 LYS 13 1.157 2.322 7.428 119 HZ2 LYS 13 HZ2 LYS 13 -0.211 2.129 8.402 120 HZ3 LYS 13 HZ3 LYS 13 0.486 3.658 8.225 121 H VAL 14 H VAL 14 4.179 3.360 0.934 122 HA VAL 14 HA VAL 14 5.710 5.819 0.933 123 HB VAL 14 HB VAL 14 5.542 4.420 -1.633 124 HG11 VAL 14 HG11 VAL 14 7.207 6.100 -1.177 125 HG12 VAL 14 HG12 VAL 14 7.983 4.539 -1.457 126 HG13 VAL 14 HG13 VAL 14 7.817 5.158 0.191 127 HG21 VAL 14 HG21 VAL 14 6.551 2.920 0.768 128 HG22 VAL 14 HG22 VAL 14 6.961 2.518 -0.899 129 HG23 VAL 14 HG23 VAL 14 5.287 2.424 -0.358 130 H GLY 15 H GLY 15 2.596 5.060 0.325 131 HA2 GLY 15 HA2 GLY 15 2.227 7.473 -1.284 132 HA3 GLY 15 HA3 GLY 15 1.526 5.971 -1.875 133 H SER 16 H SER 16 1.340 8.495 0.469 134 HA SER 16 HA SER 16 -0.767 7.276 1.995 135 HB2 SER 16 HB2 SER 16 0.776 8.806 3.109 136 HB3 SER 16 HB3 SER 16 0.313 10.106 2.011 137 HG SER 16 HG SER 16 -1.484 10.408 3.092 138 H LEU 17 H LEU 17 -2.889 7.524 1.780 139 HA LEU 17 HA LEU 17 -3.956 9.698 0.215 140 HB2 LEU 17 HB2 LEU 17 -5.363 8.326 -1.194 141 HB3 LEU 17 HB3 LEU 17 -3.677 7.942 -1.462 142 HG LEU 17 HG LEU 17 -5.448 6.270 0.316 143 HD11 LEU 17 HD11 LEU 17 -5.668 4.754 -1.618 144 HD12 LEU 17 HD12 LEU 17 -4.906 5.976 -2.636 145 HD13 LEU 17 HD13 LEU 17 -6.463 6.306 -1.876 146 HD21 LEU 17 HD21 LEU 17 -2.857 5.685 -1.120 147 HD22 LEU 17 HD22 LEU 17 -3.772 4.546 -0.132 148 HD23 LEU 17 HD23 LEU 17 -3.041 5.968 0.612 149 H GLU 18 H GLU 18 -4.501 6.929 2.210 150 HA GLU 18 HA GLU 18 -7.117 7.694 3.043 151 HB2 GLU 18 HB2 GLU 18 -5.139 5.793 4.287 152 HB3 GLU 18 HB3 GLU 18 -6.792 6.002 4.839 153 HG2 GLU 18 HG2 GLU 18 -7.605 5.244 2.660 154 HG3 GLU 18 HG3 GLU 18 -5.937 5.005 2.136 155 H SER 19 H SER 19 -3.916 7.891 4.443 156 HA SER 19 HA SER 19 -4.688 9.273 6.791 157 HB2 SER 19 HB2 SER 19 -1.991 9.241 5.415 158 HB3 SER 19 HB3 SER 19 -2.300 9.687 7.092 159 HG SER 19 HG SER 19 -3.365 7.283 6.664 160 H SER 20 H SER 20 -4.368 10.233 3.561 161 HA SER 20 HA SER 20 -3.879 13.033 4.206 162 HB2 SER 20 HB2 SER 20 -4.137 11.687 1.507 163 HB3 SER 20 HB3 SER 20 -3.558 13.326 1.811 164 HG SER 20 HG SER 20 -1.690 12.565 2.495 165 H MET 21 H MET 21 -6.517 11.302 4.437 166 HA MET 21 HA MET 21 -8.220 13.532 3.704 167 HB2 MET 21 HB2 MET 21 -9.771 12.295 2.357 168 HB3 MET 21 HB3 MET 21 -8.170 12.093 1.664 169 HG2 MET 21 HG2 MET 21 -8.003 9.881 2.652 170 HG3 MET 21 HG3 MET 21 -9.584 10.084 3.403 171 HE1 MET 21 HE1 MET 21 -11.823 10.418 2.009 172 HE2 MET 21 HE2 MET 21 -11.937 10.234 0.259 173 HE3 MET 21 HE3 MET 21 -11.123 11.639 0.944 174 H VAL 22 H VAL 22 -7.878 10.361 5.199 175 HA VAL 22 HA VAL 22 -8.734 9.438 7.032 176 HB VAL 22 HB VAL 22 -9.739 12.160 7.834 177 HG11 VAL 22 HG11 VAL 22 -10.508 10.313 9.187 178 HG12 VAL 22 HG12 VAL 22 -9.326 11.263 10.091 179 HG13 VAL 22 HG13 VAL 22 -8.856 9.726 9.361 180 HG21 VAL 22 HG21 VAL 22 -6.976 11.004 8.217 181 HG22 VAL 22 HG22 VAL 22 -7.570 12.511 8.917 182 HG23 VAL 22 HG23 VAL 22 -7.393 12.358 7.169 183 H SER 23 H SER 23 -10.225 8.137 6.249 184 HA SER 23 HA SER 23 -12.251 7.160 6.075 185 HB2 SER 23 HB2 SER 23 -12.907 8.514 8.077 186 HB3 SER 23 HB3 SER 23 -13.491 9.767 6.984 187 HG SER 23 HG SER 23 -15.270 8.606 7.274 188 H THR 24 H THR 24 -13.038 6.688 4.179 189 HA THR 24 HA THR 24 -13.069 8.652 2.062 190 HB THR 24 HB THR 24 -13.937 6.636 0.717 191 HG1 THR 24 HG1 THR 24 -12.874 4.819 2.405 192 HG21 THR 24 HG21 THR 24 -11.695 5.643 0.578 193 HG22 THR 24 HG22 THR 24 -11.239 6.474 2.064 194 HG23 THR 24 HG23 THR 24 -11.622 7.404 0.617 195 H ASP 25 H ASP 25 -14.935 9.072 0.732 196 HA ASP 25 HA ASP 25 -17.341 9.342 2.360 197 HB2 ASP 25 HB2 ASP 25 -18.105 10.928 0.748 198 HB3 ASP 25 HB3 ASP 25 -16.400 11.270 1.004 199 H SER 26 H SER 26 -16.067 7.531 -0.218 200 HA SER 26 HA SER 26 -18.348 6.601 -1.521 201 HB2 SER 26 HB2 SER 26 -16.048 6.259 -2.317 202 HB3 SER 26 HB3 SER 26 -15.723 5.198 -0.950 203 HG SER 26 HG SER 26 -17.415 4.771 -3.176 204 H LEU 27 H LEU 27 -20.043 5.592 -0.636 205 HA LEU 27 HA LEU 27 -20.026 4.369 1.889 206 HB2 LEU 27 HB2 LEU 27 -21.941 5.460 0.846 207 HB3 LEU 27 HB3 LEU 27 -21.999 4.180 -0.353 208 HG LEU 27 HG LEU 27 -22.424 2.571 1.380 209 HD11 LEU 27 HD11 LEU 27 -22.401 4.950 3.233 210 HD12 LEU 27 HD12 LEU 27 -21.273 3.595 3.252 211 HD13 LEU 27 HD13 LEU 27 -22.964 3.339 3.675 212 HD21 LEU 27 HD21 LEU 27 -24.227 4.956 1.426 213 HD22 LEU 27 HD22 LEU 27 -24.685 3.338 1.958 214 HD23 LEU 27 HD23 LEU 27 -24.272 3.632 0.267 215 H GLY 28 H GLY 28 -20.562 2.977 -1.359 216 HA2 GLY 28 HA2 GLY 28 -20.085 0.898 -2.210 217 HA3 GLY 28 HA3 GLY 28 -18.791 0.818 -1.021 218 H PHE 29 H PHE 29 -22.336 0.861 -0.886 219 HA PHE 29 HA PHE 29 -22.428 -0.994 1.291 220 HB2 PHE 29 HB2 PHE 29 -24.273 0.668 -0.209 221 HB3 PHE 29 HB3 PHE 29 -24.943 -0.932 0.054 222 HD1 PHE 29 HD1 PHE 29 -22.680 0.737 2.442 223 HD2 PHE 29 HD2 PHE 29 -26.692 -0.255 1.438 224 HE1 PHE 29 HE1 PHE 29 -23.410 1.406 4.696 225 HE2 PHE 29 HE2 PHE 29 -27.430 0.419 3.672 226 HZ PHE 29 HZ PHE 29 -25.790 1.247 5.314 227 H GLN 30 H GLN 30 -24.222 -1.331 -1.711 228 HA GLN 30 HA GLN 30 -23.182 -3.599 -2.809 229 HB2 GLN 30 HB2 GLN 30 -24.891 -5.248 -1.931 230 HB3 GLN 30 HB3 GLN 30 -23.546 -4.897 -0.867 231 HG2 GLN 30 HG2 GLN 30 -25.061 -3.257 0.293 232 HG3 GLN 30 HG3 GLN 30 -26.382 -3.914 -0.671 233 HE21 GLN 30 HE21 GLN 30 -27.131 -5.984 -0.245 234 HE22 GLN 30 HE22 GLN 30 -26.713 -6.840 1.197 235 H HIS 31 H HIS 31 -26.134 -2.035 -1.736 236 HA HIS 31 HA HIS 31 -27.138 -1.561 -4.330 237 HB2 HIS 31 HB2 HIS 31 -27.545 -4.052 -4.112 238 HB3 HIS 31 HB3 HIS 31 -28.619 -3.698 -2.768 239 HD1 HIS 31 HD1 HIS 31 -28.338 -3.236 -6.502 240 HD2 HIS 31 HD2 HIS 31 -31.181 -2.962 -3.484 241 HE1 HIS 31 HE1 HIS 31 -30.544 -2.972 -7.674 242 HE2 HIS 31 HE2 HIS 31 -32.228 -2.671 -5.831 243 H LEU 32 H LEU 32 -26.708 0.211 -2.440 244 HA LEU 32 HA LEU 32 -28.674 0.675 -0.515 245 HB2 LEU 32 HB2 LEU 32 -26.568 1.891 -0.561 246 HB3 LEU 32 HB3 LEU 32 -26.966 2.585 -2.103 247 HG LEU 32 HG LEU 32 -28.888 3.723 -1.023 248 HD11 LEU 32 HD11 LEU 32 -28.840 3.984 1.418 249 HD12 LEU 32 HD12 LEU 32 -27.550 2.785 1.504 250 HD13 LEU 32 HD13 LEU 32 -29.150 2.320 0.927 251 HD21 LEU 32 HD21 LEU 32 -27.521 5.481 -0.002 252 HD22 LEU 32 HD22 LEU 32 -26.824 4.902 -1.515 253 HD23 LEU 32 HD23 LEU 32 -26.143 4.380 0.025 254 H THR 33 H THR 33 -28.305 2.426 -3.556 255 HA THR 33 HA THR 33 -31.014 2.026 -4.356 256 HB THR 33 HB THR 33 -30.950 4.798 -4.497 257 HG1 THR 33 HG1 THR 33 -30.112 5.572 -2.689 258 HG21 THR 33 HG21 THR 33 -32.792 4.710 -2.883 259 HG22 THR 33 HG22 THR 33 -32.344 3.057 -2.462 260 HG23 THR 33 HG23 THR 33 -32.927 3.428 -4.084 261 H ASN 34 H ASN 34 -31.325 3.817 -6.321 262 HA ASN 34 HA ASN 34 -29.504 3.008 -8.278 263 HB2 ASN 34 HB2 ASN 34 -31.542 5.211 -8.177 264 HB3 ASN 34 HB3 ASN 34 -30.489 5.020 -9.578 265 HD21 ASN 34 HD21 ASN 34 -33.424 4.644 -9.206 266 HD22 ASN 34 HD22 ASN 34 -33.738 3.043 -9.781 267 H GLU 35 H GLU 35 -29.492 5.752 -6.130 268 HA GLU 35 HA GLU 35 -27.523 7.319 -7.286 269 HB2 GLU 35 HB2 GLU 35 -27.085 8.189 -5.043 270 HB3 GLU 35 HB3 GLU 35 -28.812 8.031 -5.335 271 HG2 GLU 35 HG2 GLU 35 -28.821 5.938 -4.086 272 HG3 GLU 35 HG3 GLU 35 -27.100 6.121 -3.768 273 H GLU 36 H GLU 36 -27.128 4.518 -5.091 274 HA GLU 36 HA GLU 36 -24.283 4.668 -5.157 275 HB2 GLU 36 HB2 GLU 36 -25.334 3.593 -3.292 276 HB3 GLU 36 HB3 GLU 36 -26.192 2.477 -4.347 277 HG2 GLU 36 HG2 GLU 36 -24.227 1.290 -4.860 278 HG3 GLU 36 HG3 GLU 36 -23.197 2.552 -4.182 279 H ARG 37 H ARG 37 -26.725 2.912 -6.972 280 HA ARG 37 HA ARG 37 -25.065 1.013 -8.148 281 HB2 ARG 37 HB2 ARG 37 -27.645 2.177 -9.185 282 HB3 ARG 37 HB3 ARG 37 -26.851 0.757 -9.855 283 HG2 ARG 37 HG2 ARG 37 -26.976 -0.031 -7.325 284 HG3 ARG 37 HG3 ARG 37 -28.345 1.079 -7.321 285 HD2 ARG 37 HD2 ARG 37 -27.968 -1.144 -9.316 286 HD3 ARG 37 HD3 ARG 37 -28.927 -1.290 -7.849 287 HE ARG 37 HE ARG 37 -29.956 0.893 -9.151 288 HH11 ARG 37 HH11 ARG 37 -29.429 -2.475 -9.957 289 HH12 ARG 37 HH12 ARG 37 -30.809 -2.575 -11.005 290 HH21 ARG 37 HH21 ARG 37 -31.787 0.766 -10.517 291 HH22 ARG 37 HH22 ARG 37 -32.157 -0.732 -11.318 292 H ASN 38 H ASN 38 -25.868 4.289 -9.256 293 HA ASN 38 HA ASN 38 -24.525 3.863 -11.761 294 HB2 ASN 38 HB2 ASN 38 -25.064 6.111 -12.326 295 HB3 ASN 38 HB3 ASN 38 -26.457 5.448 -11.482 296 HD21 ASN 38 HD21 ASN 38 -23.839 7.720 -11.367 297 HD22 ASN 38 HD22 ASN 38 -24.400 8.604 -9.990 298 H ASP 39 H ASP 39 -23.678 5.436 -8.702 299 HA ASP 39 HA ASP 39 -21.265 6.553 -9.802 300 HB2 ASP 39 HB2 ASP 39 -22.514 6.540 -7.087 301 HB3 ASP 39 HB3 ASP 39 -20.820 6.984 -7.256 302 H MET 40 H MET 40 -21.859 4.074 -7.282 303 HA MET 40 HA MET 40 -19.050 3.261 -7.648 304 HB2 MET 40 HB2 MET 40 -20.816 2.983 -5.214 305 HB3 MET 40 HB3 MET 40 -19.201 2.310 -5.351 306 HG2 MET 40 HG2 MET 40 -18.842 4.244 -4.165 307 HG3 MET 40 HG3 MET 40 -18.469 4.736 -5.814 308 HE1 MET 40 HE1 MET 40 -22.072 4.177 -4.235 309 HE2 MET 40 HE2 MET 40 -22.385 5.793 -3.606 310 HE3 MET 40 HE3 MET 40 -21.088 4.815 -2.920 311 H ILE 41 H ILE 41 -22.187 2.281 -8.188 312 HA ILE 41 HA ILE 41 -23.360 0.402 -8.377 313 HB ILE 41 HB ILE 41 -22.230 0.164 -10.441 314 HG12 ILE 41 HG12 ILE 41 -22.335 -2.472 -8.983 315 HG13 ILE 41 HG13 ILE 41 -23.677 -1.667 -9.781 316 HG21 ILE 41 HG21 ILE 41 -20.029 -1.391 -9.099 317 HG22 ILE 41 HG22 ILE 41 -19.894 0.276 -9.654 318 HG23 ILE 41 HG23 ILE 41 -20.176 -1.018 -10.816 319 HD11 ILE 41 HD11 ILE 41 -22.808 -3.504 -11.115 320 HD12 ILE 41 HD12 ILE 41 -21.220 -2.738 -11.143 321 HD13 ILE 41 HD13 ILE 41 -22.589 -1.957 -11.934 322 H SER 42 H SER 42 -20.265 -1.141 -7.485 323 HA SER 42 HA SER 42 -21.285 -1.877 -4.897 324 HB2 SER 42 HB2 SER 42 -20.668 -4.056 -6.915 325 HB3 SER 42 HB3 SER 42 -21.059 -4.304 -5.215 326 HG SER 42 HG SER 42 -22.979 -2.805 -6.272 327 H TYR 43 H TYR 43 -19.130 -0.386 -6.134 328 HA TYR 43 HA TYR 43 -16.775 -1.952 -5.324 329 HB2 TYR 43 HB2 TYR 43 -16.793 -1.818 -7.712 330 HB3 TYR 43 HB3 TYR 43 -17.189 -0.109 -7.676 331 HD1 TYR 43 HD1 TYR 43 -15.495 1.405 -8.067 332 HD2 TYR 43 HD2 TYR 43 -14.490 -2.439 -6.546 333 HE1 TYR 43 HE1 TYR 43 -13.109 1.949 -8.288 334 HE2 TYR 43 HE2 TYR 43 -12.101 -1.901 -6.762 335 HH TYR 43 HH TYR 43 -10.657 -0.428 -7.992 336 H LYS 44 H LYS 44 -15.501 -1.034 -3.869 337 HA LYS 44 HA LYS 44 -16.130 1.485 -2.683 338 HB2 LYS 44 HB2 LYS 44 -13.786 -0.397 -2.361 339 HB3 LYS 44 HB3 LYS 44 -13.990 1.064 -1.411 340 HG2 LYS 44 HG2 LYS 44 -16.106 -1.052 -1.485 341 HG3 LYS 44 HG3 LYS 44 -14.723 -1.164 -0.394 342 HD2 LYS 44 HD2 LYS 44 -15.322 1.084 0.491 343 HD3 LYS 44 HD3 LYS 44 -16.779 1.040 -0.507 344 HE2 LYS 44 HE2 LYS 44 -17.603 -0.873 0.671 345 HE3 LYS 44 HE3 LYS 44 -16.083 -1.054 1.545 346 HZ1 LYS 44 HZ1 LYS 44 -18.000 1.203 1.808 347 HZ2 LYS 44 HZ2 LYS 44 -16.512 1.094 2.608 348 HZ3 LYS 44 HZ3 LYS 44 -17.737 -0.025 2.941 349 H GLU 45 H GLU 45 -15.285 3.452 -3.088 350 HA GLU 45 HA GLU 45 -13.753 3.925 -5.425 351 HB2 GLU 45 HB2 GLU 45 -15.377 5.496 -4.235 352 HB3 GLU 45 HB3 GLU 45 -14.064 5.859 -3.135 353 HG2 GLU 45 HG2 GLU 45 -14.093 7.559 -4.744 354 HG3 GLU 45 HG3 GLU 45 -12.744 6.510 -5.145 355 H ASN 46 H ASN 46 -12.859 2.928 -2.338 356 HA ASN 46 HA ASN 46 -10.319 4.174 -2.096 357 HB2 ASN 46 HB2 ASN 46 -11.549 3.143 -0.196 358 HB3 ASN 46 HB3 ASN 46 -11.272 1.557 -0.908 359 HD21 ASN 46 HD21 ASN 46 -10.105 0.800 0.811 360 HD22 ASN 46 HD22 ASN 46 -8.518 1.366 1.192 361 H GLY 47 H GLY 47 -11.523 1.490 -3.909 362 HA2 GLY 47 HA2 GLY 47 -10.470 0.779 -5.875 363 HA3 GLY 47 HA3 GLY 47 -8.941 1.397 -5.256 364 H ASP 48 H ASP 48 -9.360 -0.075 -2.671 365 HA ASP 48 HA ASP 48 -8.269 -1.877 -1.811 366 HB2 ASP 48 HB2 ASP 48 -10.475 -2.882 -2.366 367 HB3 ASP 48 HB3 ASP 48 -9.839 -3.358 -3.933 368 H VAL 49 H VAL 49 -6.482 -0.683 -2.989 369 HA VAL 49 HA VAL 49 -5.132 -2.470 -4.885 370 HB VAL 49 HB VAL 49 -4.175 -0.148 -5.738 371 HG11 VAL 49 HG11 VAL 49 -6.785 -1.413 -6.546 372 HG12 VAL 49 HG12 VAL 49 -5.181 -1.758 -7.195 373 HG13 VAL 49 HG13 VAL 49 -5.940 -0.197 -7.502 374 HG21 VAL 49 HG21 VAL 49 -5.958 1.538 -5.850 375 HG22 VAL 49 HG22 VAL 49 -5.484 1.211 -4.182 376 HG23 VAL 49 HG23 VAL 49 -6.971 0.523 -4.825 377 H HIS 50 H HIS 50 -3.301 -3.156 -4.017 378 HA HIS 50 HA HIS 50 -1.729 -1.256 -2.420 379 HB2 HIS 50 HB2 HIS 50 -1.047 -3.004 -0.897 380 HB3 HIS 50 HB3 HIS 50 -2.804 -2.956 -0.942 381 HD1 HIS 50 HD1 HIS 50 -4.020 -5.005 -1.902 382 HD2 HIS 50 HD2 HIS 50 0.119 -5.340 -1.940 383 HE1 HIS 50 HE1 HIS 50 -3.545 -7.409 -2.430 384 HE2 HIS 50 HE2 HIS 50 -1.039 -7.625 -2.271 385 H VAL 51 H VAL 51 0.405 -1.193 -2.856 386 HA VAL 51 HA VAL 51 1.479 -3.163 -4.747 387 HB VAL 51 HB VAL 51 2.779 -1.106 -5.720 388 HG11 VAL 51 HG11 VAL 51 1.065 -0.797 -7.413 389 HG12 VAL 51 HG12 VAL 51 -0.143 -1.518 -6.352 390 HG13 VAL 51 HG13 VAL 51 1.185 -2.502 -6.978 391 HG21 VAL 51 HG21 VAL 51 0.360 0.169 -4.495 392 HG22 VAL 51 HG22 VAL 51 1.349 0.913 -5.752 393 HG23 VAL 51 HG23 VAL 51 2.053 0.542 -4.178 394 H LEU 52 H LEU 52 3.287 -4.025 -4.051 395 HA LEU 52 HA LEU 52 4.713 -2.859 -1.811 396 HB2 LEU 52 HB2 LEU 52 5.144 -5.418 -3.365 397 HB3 LEU 52 HB3 LEU 52 6.163 -4.906 -2.031 398 HG LEU 52 HG LEU 52 4.688 -6.528 -1.158 399 HD11 LEU 52 HD11 LEU 52 4.999 -4.562 0.263 400 HD12 LEU 52 HD12 LEU 52 3.432 -5.330 0.523 401 HD13 LEU 52 HD13 LEU 52 3.541 -3.844 -0.421 402 HD21 LEU 52 HD21 LEU 52 3.045 -6.551 -2.946 403 HD22 LEU 52 HD22 LEU 52 2.410 -4.998 -2.401 404 HD23 LEU 52 HD23 LEU 52 2.257 -6.424 -1.373 405 H THR 53 H THR 53 6.091 -1.291 -2.231 406 HA THR 53 HA THR 53 7.891 -1.602 -4.527 407 HB THR 53 HB THR 53 6.049 -0.021 -5.093 408 HG1 THR 53 HG1 THR 53 7.466 1.064 -6.230 409 HG21 THR 53 HG21 THR 53 6.022 2.193 -4.039 410 HG22 THR 53 HG22 THR 53 7.250 1.657 -2.892 411 HG23 THR 53 HG23 THR 53 5.649 0.917 -2.880 412 H ILE 54 H ILE 54 9.444 0.553 -4.252 413 HA ILE 54 HA ILE 54 10.790 -0.036 -1.720 414 HB ILE 54 HB ILE 54 11.677 0.526 -4.470 415 HG12 ILE 54 HG12 ILE 54 13.246 -0.851 -2.326 416 HG13 ILE 54 HG13 ILE 54 11.804 -1.599 -2.968 417 HG21 ILE 54 HG21 ILE 54 13.847 1.420 -3.846 418 HG22 ILE 54 HG22 ILE 54 13.332 1.529 -2.166 419 HG23 ILE 54 HG23 ILE 54 12.556 2.530 -3.391 420 HD11 ILE 54 HD11 ILE 54 12.768 -1.499 -5.219 421 HD12 ILE 54 HD12 ILE 54 13.766 -2.424 -4.095 422 HD13 ILE 54 HD13 ILE 54 14.227 -0.780 -4.535 423 H CYS 55 H CYS 55 10.645 1.385 -0.150 424 HA CYS 55 HA CYS 55 9.701 4.030 -0.478 425 HB2 CYS 55 HB2 CYS 55 10.091 4.324 1.873 426 HB3 CYS 55 HB3 CYS 55 9.493 2.690 1.636 427 H GLU 56 H GLU 56 11.025 5.988 0.317 428 HA GLU 56 HA GLU 56 13.176 6.352 -1.440 429 HB2 GLU 56 HB2 GLU 56 12.571 7.894 1.100 430 HB3 GLU 56 HB3 GLU 56 13.548 8.453 -0.246 431 HG2 GLU 56 HG2 GLU 56 11.608 8.442 -1.698 432 HG3 GLU 56 HG3 GLU 56 10.614 7.817 -0.384 433 H ASP 57 H ASP 57 13.061 5.292 1.909 434 HA ASP 57 HA ASP 57 15.832 5.482 2.457 435 HB2 ASP 57 HB2 ASP 57 14.130 5.230 4.221 436 HB3 ASP 57 HB3 ASP 57 13.789 3.600 3.657 437 H CYS 58 H CYS 58 13.816 2.792 1.305 438 HA CYS 58 HA CYS 58 15.926 0.944 0.955 439 HB2 CYS 58 HB2 CYS 58 13.176 1.190 -0.238 440 HB3 CYS 58 HB3 CYS 58 14.293 -0.052 -0.794 441 H GLN 59 H GLN 59 14.379 3.248 -1.212 442 HA GLN 59 HA GLN 59 15.791 2.952 -3.535 443 HB2 GLN 59 HB2 GLN 59 13.956 4.518 -3.313 444 HB3 GLN 59 HB3 GLN 59 14.863 5.471 -2.152 445 HG2 GLN 59 HG2 GLN 59 14.854 6.603 -4.251 446 HG3 GLN 59 HG3 GLN 59 16.485 6.021 -3.928 447 HE21 GLN 59 HE21 GLN 59 17.301 4.322 -5.128 448 HE22 GLN 59 HE22 GLN 59 16.596 3.855 -6.627 449 H GLU 60 H GLU 60 16.827 4.529 -0.548 450 HA GLU 60 HA GLU 60 19.215 5.566 -1.619 451 HB2 GLU 60 HB2 GLU 60 18.121 5.115 1.132 452 HB3 GLU 60 HB3 GLU 60 19.731 5.681 0.877 453 HG2 GLU 60 HG2 GLU 60 17.240 7.029 0.037 454 HG3 GLU 60 HG3 GLU 60 18.304 7.532 1.337 455 H ALA 61 H ALA 61 18.374 2.719 0.278 456 HA ALA 61 HA ALA 61 20.968 1.675 0.634 457 HB1 ALA 61 HB1 ALA 61 18.332 0.208 0.441 458 HB2 ALA 61 HB2 ALA 61 19.033 0.878 1.913 459 HB3 ALA 61 HB3 ALA 61 19.836 -0.451 1.082 460 H LEU 62 H LEU 62 18.708 1.738 -1.885 461 HA LEU 62 HA LEU 62 19.782 -0.310 -3.516 462 HB2 LEU 62 HB2 LEU 62 17.541 1.409 -3.388 463 HB3 LEU 62 HB3 LEU 62 18.299 1.663 -4.951 464 HG LEU 62 HG LEU 62 18.316 -0.864 -5.092 465 HD11 LEU 62 HD11 LEU 62 17.754 -1.433 -2.847 466 HD12 LEU 62 HD12 LEU 62 16.441 -1.964 -3.896 467 HD13 LEU 62 HD13 LEU 62 16.266 -0.493 -2.937 468 HD21 LEU 62 HD21 LEU 62 16.038 -0.890 -6.035 469 HD22 LEU 62 HD22 LEU 62 16.959 0.530 -6.528 470 HD23 LEU 62 HD23 LEU 62 15.737 0.669 -5.264 471 H ASP 63 H ASP 63 19.646 3.187 -3.860 472 HA ASP 63 HA ASP 63 21.210 3.300 -6.196 473 HB2 ASP 63 HB2 ASP 63 19.529 5.001 -5.414 474 HB3 ASP 63 HB3 ASP 63 20.731 5.562 -4.256 475 H ARG 64 H ARG 64 22.075 3.807 -2.792 476 HA ARG 64 HA ARG 64 24.886 3.870 -3.624 477 HB2 ARG 64 HB2 ARG 64 25.283 5.625 -1.859 478 HB3 ARG 64 HB3 ARG 64 24.402 6.165 -3.280 479 HG2 ARG 64 HG2 ARG 64 22.287 5.872 -1.978 480 HG3 ARG 64 HG3 ARG 64 23.284 5.554 -0.555 481 HD2 ARG 64 HD2 ARG 64 23.252 8.076 -2.208 482 HD3 ARG 64 HD3 ARG 64 22.607 7.875 -0.580 483 HE ARG 64 HE ARG 64 25.203 7.194 -0.290 484 HH11 ARG 64 HH11 ARG 64 23.586 9.971 -1.656 485 HH12 ARG 64 HH12 ARG 64 24.883 11.066 -1.300 486 HH21 ARG 64 HH21 ARG 64 26.919 8.627 0.190 487 HH22 ARG 64 HH22 ARG 64 26.780 10.301 -0.247 488 H ASN 65 H ASN 65 25.026 1.717 -2.979 489 HA ASN 65 HA ASN 65 24.958 1.305 -0.060 490 HB2 ASN 65 HB2 ASN 65 24.180 -0.938 -0.372 491 HB3 ASN 65 HB3 ASN 65 23.113 0.125 -1.281 492 HD21 ASN 65 HD21 ASN 65 23.322 0.189 -3.570 493 HD22 ASN 65 HD22 ASN 65 24.026 -1.134 -4.432 494 HA PRO 66 HA PRO 66 29.127 -0.141 -0.610 495 HB2 PRO 66 HB2 PRO 66 29.451 -1.305 1.813 496 HB3 PRO 66 HB3 PRO 66 29.475 0.444 1.577 497 HG2 PRO 66 HG2 PRO 66 27.294 -1.301 2.619 498 HG3 PRO 66 HG3 PRO 66 27.773 0.326 3.132 499 HD2 PRO 66 HD2 PRO 66 25.631 -0.213 1.494 500 HD3 PRO 66 HD3 PRO 66 26.497 1.333 1.529 501 H HIS 67 H HIS 67 26.528 -2.295 0.491 502 HA HIS 67 HA HIS 67 27.168 -4.280 -1.398 503 HB2 HIS 67 HB2 HIS 67 27.950 -6.096 0.045 504 HB3 HIS 67 HB3 HIS 67 29.078 -4.751 0.058 505 HD1 HIS 67 HD1 HIS 67 27.362 -7.013 2.261 506 HD2 HIS 67 HD2 HIS 67 28.730 -3.099 2.521 507 HE1 HIS 67 HE1 HIS 67 27.505 -6.509 4.718 508 HE2 HIS 67 HE2 HIS 67 28.441 -4.176 4.852 509 H TYR 68 H TYR 68 24.831 -3.043 -0.836 510 HA TYR 68 HA TYR 68 23.239 -4.704 0.928 511 HB2 TYR 68 HB2 TYR 68 22.788 -2.305 0.881 512 HB3 TYR 68 HB3 TYR 68 22.444 -2.385 -0.843 513 HD1 TYR 68 HD1 TYR 68 21.291 -3.822 2.405 514 HD2 TYR 68 HD2 TYR 68 20.247 -2.622 -1.541 515 HE1 TYR 68 HE1 TYR 68 18.922 -4.249 2.906 516 HE2 TYR 68 HE2 TYR 68 17.877 -3.046 -1.051 517 HH TYR 68 HH TYR 68 16.729 -3.591 2.126 518 H HIS 69 H HIS 69 23.549 -4.088 -2.523 519 HA HIS 69 HA HIS 69 22.309 -6.667 -3.039 520 HB2 HIS 69 HB2 HIS 69 20.718 -5.862 -4.652 521 HB3 HIS 69 HB3 HIS 69 20.456 -4.974 -3.160 522 HD1 HIS 69 HD1 HIS 69 20.987 -4.509 -6.725 523 HD2 HIS 69 HD2 HIS 69 21.571 -2.254 -3.281 524 HE1 HIS 69 HE1 HIS 69 21.229 -2.137 -7.507 525 HE2 HIS 69 HE2 HIS 69 21.778 -0.820 -5.430 526 H GLU 70 H GLU 70 22.996 -7.625 -4.931 527 HA GLU 70 HA GLU 70 25.556 -6.773 -5.816 528 HB2 GLU 70 HB2 GLU 70 23.740 -8.985 -6.768 529 HB3 GLU 70 HB3 GLU 70 25.365 -8.724 -7.386 530 HG2 GLU 70 HG2 GLU 70 26.287 -9.091 -5.170 531 HG3 GLU 70 HG3 GLU 70 24.663 -9.304 -4.518 532 H TYR 71 H TYR 71 25.372 -4.799 -6.799 533 HA TYR 71 HA TYR 71 23.611 -4.315 -8.995 534 HB2 TYR 71 HB2 TYR 71 25.234 -2.315 -9.336 535 HB3 TYR 71 HB3 TYR 71 24.229 -2.359 -7.894 536 HD1 TYR 71 HD1 TYR 71 27.662 -2.949 -9.157 537 HD2 TYR 71 HD2 TYR 71 25.193 -2.422 -5.734 538 HE1 TYR 71 HE1 TYR 71 29.668 -2.723 -7.751 539 HE2 TYR 71 HE2 TYR 71 27.189 -2.196 -4.321 540 HH TYR 71 HH TYR 71 30.345 -1.817 -5.632 541 H HIS 72 H HIS 72 26.552 -5.927 -8.627 542 HA HIS 72 HA HIS 72 27.449 -5.661 -11.352 543 HB2 HIS 72 HB2 HIS 72 28.975 -6.071 -9.402 544 HB3 HIS 72 HB3 HIS 72 28.277 -7.674 -9.249 545 HD1 HIS 72 HD1 HIS 72 30.476 -5.624 -11.526 546 HD2 HIS 72 HD2 HIS 72 29.300 -9.577 -10.970 547 HE1 HIS 72 HE1 HIS 72 31.995 -6.998 -12.989 548 HE2 HIS 72 HE2 HIS 72 31.293 -9.389 -12.610 549 H THR 73 H THR 73 25.183 -7.562 -9.645 550 HA THR 73 HA THR 73 24.783 -9.255 -11.997 551 HB THR 73 HB THR 73 24.764 -10.372 -9.185 552 HG1 THR 73 HG1 THR 73 26.763 -10.588 -11.219 553 HG21 THR 73 HG21 THR 73 23.337 -11.572 -10.753 554 HG22 THR 73 HG22 THR 73 24.754 -12.541 -10.350 555 HG23 THR 73 HG23 THR 73 24.673 -11.699 -11.896 Start of MODEL 16 1 H1 GLN -1 H1 GLN -1 -7.384 14.507 -5.666 2 H2 GLN -1 H2 GLN -1 -6.214 14.351 -6.878 3 H3 GLN -1 H3 GLN -1 -5.911 15.325 -5.533 4 HA GLN -1 HA GLN -1 -5.895 13.441 -4.083 5 HB2 GLN -1 HB2 GLN -1 -6.398 11.866 -6.619 6 HB3 GLN -1 HB3 GLN -1 -5.975 11.157 -5.069 7 HG2 GLN -1 HG2 GLN -1 -8.475 12.688 -5.731 8 HG3 GLN -1 HG3 GLN -1 -8.337 10.957 -5.438 9 HE21 GLN -1 HE21 GLN -1 -9.972 12.931 -4.079 10 HE22 GLN -1 HE22 GLN -1 -9.522 12.868 -2.408 11 H SER 0 H SER 0 -3.927 12.415 -3.649 12 HA SER 0 HA SER 0 -1.826 12.896 -5.652 13 HB2 SER 0 HB2 SER 0 -1.537 12.503 -2.661 14 HB3 SER 0 HB3 SER 0 -0.250 12.930 -3.790 15 HG SER 0 HG SER 0 -2.469 14.485 -2.963 16 H MET 1 H MET 1 -3.775 10.501 -4.882 17 HA MET 1 HA MET 1 -1.707 8.444 -5.130 18 HB2 MET 1 HB2 MET 1 -2.210 8.448 -2.802 19 HB3 MET 1 HB3 MET 1 -3.935 8.453 -3.097 20 HG2 MET 1 HG2 MET 1 -3.716 6.199 -4.083 21 HG3 MET 1 HG3 MET 1 -2.003 6.219 -3.672 22 HE1 MET 1 HE1 MET 1 -5.429 6.235 -0.574 23 HE2 MET 1 HE2 MET 1 -5.659 6.249 -2.322 24 HE3 MET 1 HE3 MET 1 -4.998 7.668 -1.509 25 H ALA 2 H ALA 2 -2.214 6.704 -6.246 26 HA ALA 2 HA ALA 2 -4.953 6.402 -7.278 27 HB1 ALA 2 HB1 ALA 2 -2.387 5.870 -8.769 28 HB2 ALA 2 HB2 ALA 2 -3.514 7.191 -9.081 29 HB3 ALA 2 HB3 ALA 2 -4.008 5.523 -9.371 30 H LEU 3 H LEU 3 -1.885 4.740 -6.898 31 HA LEU 3 HA LEU 3 -3.294 2.303 -6.016 32 HB2 LEU 3 HB2 LEU 3 -0.448 2.710 -6.967 33 HB3 LEU 3 HB3 LEU 3 -1.056 1.211 -6.325 34 HG LEU 3 HG LEU 3 -2.769 1.293 -8.230 35 HD11 LEU 3 HD11 LEU 3 -2.431 3.586 -8.823 36 HD12 LEU 3 HD12 LEU 3 -1.991 2.548 -10.182 37 HD13 LEU 3 HD13 LEU 3 -0.736 3.274 -9.177 38 HD21 LEU 3 HD21 LEU 3 -0.938 -0.307 -8.144 39 HD22 LEU 3 HD22 LEU 3 0.169 0.899 -8.799 40 HD23 LEU 3 HD23 LEU 3 -1.156 0.287 -9.790 41 H HIS 4 H HIS 4 -2.544 1.260 -4.099 42 HA HIS 4 HA HIS 4 -1.611 3.203 -2.129 43 HB2 HIS 4 HB2 HIS 4 -2.624 0.384 -1.820 44 HB3 HIS 4 HB3 HIS 4 -2.032 1.349 -0.485 45 HD1 HIS 4 HD1 HIS 4 -4.948 0.980 -2.780 46 HD2 HIS 4 HD2 HIS 4 -3.743 3.364 0.397 47 HE1 HIS 4 HE1 HIS 4 -7.003 2.229 -2.060 48 HE2 HIS 4 HE2 HIS 4 -6.308 3.427 0.045 49 H TYR 5 H TYR 5 0.364 3.305 -1.444 50 HA TYR 5 HA TYR 5 2.290 1.348 -2.473 51 HB2 TYR 5 HB2 TYR 5 2.362 4.268 -1.958 52 HB3 TYR 5 HB3 TYR 5 3.847 3.373 -1.621 53 HD1 TYR 5 HD1 TYR 5 1.698 2.170 -4.342 54 HD2 TYR 5 HD2 TYR 5 4.975 4.695 -3.332 55 HE1 TYR 5 HE1 TYR 5 2.327 2.304 -6.712 56 HE2 TYR 5 HE2 TYR 5 5.616 4.818 -5.693 57 HH TYR 5 HH TYR 5 5.311 3.506 -7.774 58 H TYR 6 H TYR 6 2.802 -0.154 -1.041 59 HA TYR 6 HA TYR 6 3.539 0.742 1.669 60 HB2 TYR 6 HB2 TYR 6 2.392 -1.958 0.907 61 HB3 TYR 6 HB3 TYR 6 2.851 -1.444 2.529 62 HD1 TYR 6 HD1 TYR 6 1.545 0.408 3.636 63 HD2 TYR 6 HD2 TYR 6 0.272 -1.429 0.014 64 HE1 TYR 6 HE1 TYR 6 -0.728 1.297 3.980 65 HE2 TYR 6 HE2 TYR 6 -1.994 -0.544 0.355 66 HH TYR 6 HH TYR 6 -3.406 0.235 2.258 67 H CYS 7 H CYS 7 5.562 0.062 2.381 68 HA CYS 7 HA CYS 7 7.255 -0.733 0.192 69 HB2 CYS 7 HB2 CYS 7 7.881 1.066 1.900 70 HB3 CYS 7 HB3 CYS 7 8.240 -0.258 2.977 71 H ARG 8 H ARG 8 8.106 -2.569 -0.231 72 HA ARG 8 HA ARG 8 7.681 -4.865 1.360 73 HB2 ARG 8 HB2 ARG 8 9.297 -5.968 -0.158 74 HB3 ARG 8 HB3 ARG 8 8.032 -5.116 -1.023 75 HG2 ARG 8 HG2 ARG 8 9.807 -4.459 -2.262 76 HG3 ARG 8 HG3 ARG 8 9.860 -3.190 -1.033 77 HD2 ARG 8 HD2 ARG 8 11.502 -4.570 0.231 78 HD3 ARG 8 HD3 ARG 8 11.517 -5.713 -1.111 79 HE ARG 8 HE ARG 8 12.104 -2.984 -1.830 80 HH11 ARG 8 HH11 ARG 8 13.452 -6.049 -0.804 81 HH12 ARG 8 HH12 ARG 8 15.019 -5.721 -1.471 82 HH21 ARG 8 HH21 ARG 8 14.167 -2.550 -2.678 83 HH22 ARG 8 HH22 ARG 8 15.433 -3.728 -2.524 84 H HIS 9 H HIS 9 8.593 -5.351 3.111 85 HA HIS 9 HA HIS 9 10.322 -6.119 4.450 86 HB2 HIS 9 HB2 HIS 9 11.956 -5.899 2.598 87 HB3 HIS 9 HB3 HIS 9 12.131 -4.190 2.973 88 HD1 HIS 9 HD1 HIS 9 13.128 -7.583 4.135 89 HD2 HIS 9 HD2 HIS 9 13.665 -3.626 5.275 90 HE1 HIS 9 HE1 HIS 9 14.954 -7.617 5.861 91 HE2 HIS 9 HE2 HIS 9 15.362 -5.202 6.426 92 H CYS 10 H CYS 10 9.279 -2.935 3.924 93 HA CYS 10 HA CYS 10 10.163 -2.169 6.625 94 HB2 CYS 10 HB2 CYS 10 9.235 -0.393 4.386 95 HB3 CYS 10 HB3 CYS 10 9.792 0.153 5.955 96 H GLY 11 H GLY 11 7.395 -2.356 4.459 97 HA2 GLY 11 HA2 GLY 11 5.144 -2.477 4.976 98 HA3 GLY 11 HA3 GLY 11 5.564 -2.332 6.691 99 H VAL 12 H VAL 12 7.111 0.102 5.022 100 HA VAL 12 HA VAL 12 5.421 2.043 6.185 101 HB VAL 12 HB VAL 12 7.639 2.692 6.311 102 HG11 VAL 12 HG11 VAL 12 9.220 2.738 4.546 103 HG12 VAL 12 HG12 VAL 12 7.971 2.448 3.336 104 HG13 VAL 12 HG13 VAL 12 8.420 1.174 4.467 105 HG21 VAL 12 HG21 VAL 12 6.166 4.525 5.667 106 HG22 VAL 12 HG22 VAL 12 6.538 4.203 3.973 107 HG23 VAL 12 HG23 VAL 12 7.808 4.750 5.066 108 H LYS 13 H LYS 13 3.940 3.265 5.431 109 HA LYS 13 HA LYS 13 2.845 2.773 2.836 110 HB2 LYS 13 HB2 LYS 13 2.134 4.820 4.941 111 HB3 LYS 13 HB3 LYS 13 1.183 4.489 3.506 112 HG2 LYS 13 HG2 LYS 13 0.109 3.351 5.231 113 HG3 LYS 13 HG3 LYS 13 1.008 2.111 4.374 114 HD2 LYS 13 HD2 LYS 13 2.741 2.169 6.084 115 HD3 LYS 13 HD3 LYS 13 1.881 3.461 6.921 116 HE2 LYS 13 HE2 LYS 13 0.741 0.720 6.408 117 HE3 LYS 13 HE3 LYS 13 1.538 1.195 7.905 118 HZ1 LYS 13 HZ1 LYS 13 -0.155 2.925 8.186 119 HZ2 LYS 13 HZ2 LYS 13 -0.841 1.382 8.123 120 HZ3 LYS 13 HZ3 LYS 13 -0.935 2.400 6.780 121 H VAL 14 H VAL 14 4.171 3.465 1.243 122 HA VAL 14 HA VAL 14 5.769 5.830 1.504 123 HB VAL 14 HB VAL 14 5.487 4.663 -1.195 124 HG11 VAL 14 HG11 VAL 14 7.188 6.323 -0.670 125 HG12 VAL 14 HG12 VAL 14 7.917 4.788 -1.145 126 HG13 VAL 14 HG13 VAL 14 7.862 5.245 0.560 127 HG21 VAL 14 HG21 VAL 14 5.283 2.591 -0.058 128 HG22 VAL 14 HG22 VAL 14 6.533 3.034 1.107 129 HG23 VAL 14 HG23 VAL 14 6.963 2.724 -0.577 130 H GLY 15 H GLY 15 2.728 5.037 -0.025 131 HA2 GLY 15 HA2 GLY 15 2.434 7.846 -0.810 132 HA3 GLY 15 HA3 GLY 15 2.268 6.625 -2.065 133 H SER 16 H SER 16 1.165 6.846 1.291 134 HA SER 16 HA SER 16 -1.596 6.934 0.418 135 HB2 SER 16 HB2 SER 16 -0.579 4.706 2.206 136 HB3 SER 16 HB3 SER 16 -2.263 4.996 1.772 137 HG SER 16 HG SER 16 -1.311 4.836 -0.503 138 H LEU 17 H LEU 17 -1.226 9.037 1.315 139 HA LEU 17 HA LEU 17 -0.967 9.145 4.245 140 HB2 LEU 17 HB2 LEU 17 -0.425 11.534 3.889 141 HB3 LEU 17 HB3 LEU 17 0.703 10.453 3.090 142 HG LEU 17 HG LEU 17 -1.557 11.386 1.425 143 HD11 LEU 17 HD11 LEU 17 -0.517 13.548 0.979 144 HD12 LEU 17 HD12 LEU 17 0.637 13.259 2.283 145 HD13 LEU 17 HD13 LEU 17 -1.081 13.423 2.644 146 HD21 LEU 17 HD21 LEU 17 0.175 11.536 -0.259 147 HD22 LEU 17 HD22 LEU 17 0.271 9.981 0.566 148 HD23 LEU 17 HD23 LEU 17 1.421 11.258 0.957 149 H GLU 18 H GLU 18 -3.069 9.420 1.673 150 HA GLU 18 HA GLU 18 -4.828 11.440 2.522 151 HB2 GLU 18 HB2 GLU 18 -5.183 9.095 0.663 152 HB3 GLU 18 HB3 GLU 18 -6.423 10.313 0.913 153 HG2 GLU 18 HG2 GLU 18 -5.251 10.882 -1.064 154 HG3 GLU 18 HG3 GLU 18 -4.792 12.036 0.176 155 H SER 19 H SER 19 -4.341 8.278 3.629 156 HA SER 19 HA SER 19 -6.841 7.470 4.529 157 HB2 SER 19 HB2 SER 19 -5.427 6.243 6.286 158 HB3 SER 19 HB3 SER 19 -5.061 5.921 4.592 159 HG SER 19 HG SER 19 -3.239 6.430 6.086 160 H SER 20 H SER 20 -4.640 9.843 5.814 161 HA SER 20 HA SER 20 -5.651 10.033 8.427 162 HB2 SER 20 HB2 SER 20 -3.504 11.025 7.738 163 HB3 SER 20 HB3 SER 20 -4.363 12.185 6.728 164 HG SER 20 HG SER 20 -4.995 12.011 9.464 165 H MET 21 H MET 21 -6.917 11.139 5.397 166 HA MET 21 HA MET 21 -8.877 12.842 6.796 167 HB2 MET 21 HB2 MET 21 -8.183 12.789 3.852 168 HB3 MET 21 HB3 MET 21 -9.272 13.917 4.646 169 HG2 MET 21 HG2 MET 21 -7.427 14.850 5.907 170 HG3 MET 21 HG3 MET 21 -6.322 13.688 5.177 171 HE1 MET 21 HE1 MET 21 -7.409 13.602 2.154 172 HE2 MET 21 HE2 MET 21 -5.704 13.646 2.603 173 HE3 MET 21 HE3 MET 21 -6.334 14.790 1.418 174 H VAL 22 H VAL 22 -8.346 10.124 4.781 175 HA VAL 22 HA VAL 22 -11.216 9.703 4.381 176 HB VAL 22 HB VAL 22 -8.858 8.467 2.948 177 HG11 VAL 22 HG11 VAL 22 -11.805 8.304 2.398 178 HG12 VAL 22 HG12 VAL 22 -10.776 7.009 3.004 179 HG13 VAL 22 HG13 VAL 22 -10.528 7.642 1.378 180 HG21 VAL 22 HG21 VAL 22 -9.060 10.835 2.443 181 HG22 VAL 22 HG22 VAL 22 -10.768 10.625 2.059 182 HG23 VAL 22 HG23 VAL 22 -9.537 9.865 1.050 183 H SER 23 H SER 23 -11.800 8.670 6.264 184 HA SER 23 HA SER 23 -10.261 6.536 7.381 185 HB2 SER 23 HB2 SER 23 -13.151 7.257 7.903 186 HB3 SER 23 HB3 SER 23 -12.114 6.263 8.928 187 HG SER 23 HG SER 23 -12.354 8.951 8.823 188 H THR 24 H THR 24 -12.848 6.795 5.076 189 HA THR 24 HA THR 24 -13.342 3.933 5.115 190 HB THR 24 HB THR 24 -14.537 5.901 3.172 191 HG1 THR 24 HG1 THR 24 -15.155 6.786 5.067 192 HG21 THR 24 HG21 THR 24 -15.498 3.272 4.316 193 HG22 THR 24 HG22 THR 24 -14.893 3.539 2.681 194 HG23 THR 24 HG23 THR 24 -16.403 4.290 3.195 195 H ASP 25 H ASP 25 -11.207 3.347 4.488 196 HA ASP 25 HA ASP 25 -10.461 3.894 1.705 197 HB2 ASP 25 HB2 ASP 25 -8.711 4.151 3.420 198 HB3 ASP 25 HB3 ASP 25 -8.967 2.492 3.942 199 H SER 26 H SER 26 -11.866 1.626 3.772 200 HA SER 26 HA SER 26 -11.764 -0.490 1.731 201 HB2 SER 26 HB2 SER 26 -10.546 -0.966 3.884 202 HB3 SER 26 HB3 SER 26 -12.086 -0.815 4.726 203 HG SER 26 HG SER 26 -11.234 -3.002 3.907 204 H LEU 27 H LEU 27 -13.703 -0.989 0.885 205 HA LEU 27 HA LEU 27 -16.099 0.244 1.703 206 HB2 LEU 27 HB2 LEU 27 -15.350 -0.760 -0.604 207 HB3 LEU 27 HB3 LEU 27 -16.041 -2.235 0.018 208 HG LEU 27 HG LEU 27 -17.655 0.266 0.038 209 HD11 LEU 27 HD11 LEU 27 -18.488 -0.272 -2.194 210 HD12 LEU 27 HD12 LEU 27 -17.303 -1.572 -2.325 211 HD13 LEU 27 HD13 LEU 27 -16.767 0.105 -2.227 212 HD21 LEU 27 HD21 LEU 27 -19.506 -1.290 -0.164 213 HD22 LEU 27 HD22 LEU 27 -18.473 -1.754 1.190 214 HD23 LEU 27 HD23 LEU 27 -18.381 -2.636 -0.335 215 H GLY 28 H GLY 28 -15.467 -3.275 1.541 216 HA2 GLY 28 HA2 GLY 28 -15.957 -4.950 3.041 217 HA3 GLY 28 HA3 GLY 28 -16.127 -3.711 4.270 218 H PHE 29 H PHE 29 -17.726 -6.163 2.955 219 HA PHE 29 HA PHE 29 -20.308 -4.934 3.528 220 HB2 PHE 29 HB2 PHE 29 -21.227 -6.282 1.517 221 HB3 PHE 29 HB3 PHE 29 -20.419 -4.751 1.211 222 HD1 PHE 29 HD1 PHE 29 -20.058 -8.416 1.031 223 HD2 PHE 29 HD2 PHE 29 -18.408 -4.630 -0.023 224 HE1 PHE 29 HE1 PHE 29 -18.504 -9.530 -0.519 225 HE2 PHE 29 HE2 PHE 29 -16.866 -5.737 -1.574 226 HZ PHE 29 HZ PHE 29 -16.904 -8.187 -1.825 227 H GLN 30 H GLN 30 -21.539 -6.121 4.739 228 HA GLN 30 HA GLN 30 -20.806 -8.858 5.373 229 HB2 GLN 30 HB2 GLN 30 -20.939 -7.282 7.234 230 HB3 GLN 30 HB3 GLN 30 -22.564 -6.810 6.750 231 HG2 GLN 30 HG2 GLN 30 -23.374 -9.029 7.235 232 HG3 GLN 30 HG3 GLN 30 -21.740 -9.525 7.639 233 HE21 GLN 30 HE21 GLN 30 -22.444 -10.134 9.720 234 HE22 GLN 30 HE22 GLN 30 -22.764 -8.953 10.942 235 H HIS 31 H HIS 31 -23.786 -6.953 5.196 236 HA HIS 31 HA HIS 31 -25.092 -9.120 3.713 237 HB2 HIS 31 HB2 HIS 31 -26.376 -8.308 5.617 238 HB3 HIS 31 HB3 HIS 31 -26.205 -6.647 5.068 239 HD1 HIS 31 HD1 HIS 31 -27.761 -5.833 3.191 240 HD2 HIS 31 HD2 HIS 31 -28.300 -9.833 4.233 241 HE1 HIS 31 HE1 HIS 31 -29.905 -6.552 2.082 242 HE2 HIS 31 HE2 HIS 31 -30.102 -9.016 2.570 243 H LEU 32 H LEU 32 -24.923 -8.925 1.542 244 HA LEU 32 HA LEU 32 -24.911 -6.196 0.473 245 HB2 LEU 32 HB2 LEU 32 -23.064 -6.529 -0.848 246 HB3 LEU 32 HB3 LEU 32 -22.635 -7.411 0.594 247 HG LEU 32 HG LEU 32 -23.841 -8.827 -1.763 248 HD11 LEU 32 HD11 LEU 32 -21.605 -9.296 -2.554 249 HD12 LEU 32 HD12 LEU 32 -20.915 -8.315 -1.261 250 HD13 LEU 32 HD13 LEU 32 -21.883 -7.555 -2.524 251 HD21 LEU 32 HD21 LEU 32 -22.013 -9.725 0.463 252 HD22 LEU 32 HD22 LEU 32 -22.688 -10.743 -0.809 253 HD23 LEU 32 HD23 LEU 32 -23.752 -10.007 0.388 254 H THR 33 H THR 33 -26.176 -5.835 -1.183 255 HA THR 33 HA THR 33 -27.254 -7.912 -2.858 256 HB THR 33 HB THR 33 -29.067 -6.469 -0.900 257 HG1 THR 33 HG1 THR 33 -27.853 -8.932 -0.898 258 HG21 THR 33 HG21 THR 33 -30.138 -6.686 -3.076 259 HG22 THR 33 HG22 THR 33 -30.889 -7.765 -1.899 260 HG23 THR 33 HG23 THR 33 -29.768 -8.410 -3.098 261 H ASN 34 H ASN 34 -29.106 -5.061 -2.036 262 HA ASN 34 HA ASN 34 -28.617 -3.817 -4.576 263 HB2 ASN 34 HB2 ASN 34 -29.971 -1.948 -3.615 264 HB3 ASN 34 HB3 ASN 34 -30.785 -3.503 -3.535 265 HD21 ASN 34 HD21 ASN 34 -31.082 -1.011 -1.964 266 HD22 ASN 34 HD22 ASN 34 -30.922 -1.495 -0.310 267 H GLU 35 H GLU 35 -27.472 -3.646 -1.343 268 HA GLU 35 HA GLU 35 -25.892 -1.330 -1.417 269 HB2 GLU 35 HB2 GLU 35 -25.067 -3.843 0.015 270 HB3 GLU 35 HB3 GLU 35 -24.894 -2.172 0.538 271 HG2 GLU 35 HG2 GLU 35 -27.333 -2.035 0.785 272 HG3 GLU 35 HG3 GLU 35 -27.454 -3.733 0.362 273 H GLU 36 H GLU 36 -25.370 -4.612 -2.426 274 HA GLU 36 HA GLU 36 -22.659 -4.423 -3.199 275 HB2 GLU 36 HB2 GLU 36 -23.756 -6.586 -2.918 276 HB3 GLU 36 HB3 GLU 36 -24.876 -6.212 -4.219 277 HG2 GLU 36 HG2 GLU 36 -22.834 -6.031 -5.717 278 HG3 GLU 36 HG3 GLU 36 -21.940 -6.788 -4.401 279 H ARG 37 H ARG 37 -25.683 -4.124 -5.012 280 HA ARG 37 HA ARG 37 -24.535 -3.716 -7.522 281 HB2 ARG 37 HB2 ARG 37 -26.826 -4.484 -7.146 282 HB3 ARG 37 HB3 ARG 37 -27.236 -2.933 -6.427 283 HG2 ARG 37 HG2 ARG 37 -26.684 -1.869 -8.586 284 HG3 ARG 37 HG3 ARG 37 -26.501 -3.480 -9.278 285 HD2 ARG 37 HD2 ARG 37 -28.732 -2.607 -9.727 286 HD3 ARG 37 HD3 ARG 37 -28.815 -4.002 -8.649 287 HE ARG 37 HE ARG 37 -28.873 -1.262 -7.566 288 HH11 ARG 37 HH11 ARG 37 -30.366 -4.415 -7.961 289 HH12 ARG 37 HH12 ARG 37 -31.614 -4.105 -6.797 290 HH21 ARG 37 HH21 ARG 37 -30.528 -0.846 -6.061 291 HH22 ARG 37 HH22 ARG 37 -31.717 -2.066 -5.725 292 H ASN 38 H ASN 38 -25.972 -1.386 -5.235 293 HA ASN 38 HA ASN 38 -25.438 0.823 -6.971 294 HB2 ASN 38 HB2 ASN 38 -26.450 0.676 -4.134 295 HB3 ASN 38 HB3 ASN 38 -26.233 2.192 -4.998 296 HD21 ASN 38 HD21 ASN 38 -28.390 2.709 -4.935 297 HD22 ASN 38 HD22 ASN 38 -29.581 1.880 -5.875 298 H ASP 39 H ASP 39 -24.202 -0.033 -3.736 299 HA ASP 39 HA ASP 39 -22.369 2.157 -3.717 300 HB2 ASP 39 HB2 ASP 39 -22.615 -0.248 -1.902 301 HB3 ASP 39 HB3 ASP 39 -21.520 1.100 -1.616 302 H MET 40 H MET 40 -21.884 -1.371 -3.831 303 HA MET 40 HA MET 40 -19.046 -1.066 -4.150 304 HB2 MET 40 HB2 MET 40 -19.878 -2.971 -2.931 305 HB3 MET 40 HB3 MET 40 -20.847 -3.484 -4.306 306 HG2 MET 40 HG2 MET 40 -18.701 -3.778 -5.575 307 HG3 MET 40 HG3 MET 40 -17.854 -3.512 -4.052 308 HE1 MET 40 HE1 MET 40 -17.470 -6.102 -5.860 309 HE2 MET 40 HE2 MET 40 -17.461 -7.365 -4.628 310 HE3 MET 40 HE3 MET 40 -16.620 -5.843 -4.336 311 H ILE 41 H ILE 41 -21.732 -1.974 -6.226 312 HA ILE 41 HA ILE 41 -21.988 -2.198 -8.454 313 HB ILE 41 HB ILE 41 -19.369 -0.704 -8.728 314 HG12 ILE 41 HG12 ILE 41 -22.228 0.280 -8.736 315 HG13 ILE 41 HG13 ILE 41 -21.030 0.596 -7.487 316 HG21 ILE 41 HG21 ILE 41 -20.157 -0.196 -10.992 317 HG22 ILE 41 HG22 ILE 41 -21.581 -1.197 -10.721 318 HG23 ILE 41 HG23 ILE 41 -19.981 -1.935 -10.747 319 HD11 ILE 41 HD11 ILE 41 -19.696 1.859 -9.100 320 HD12 ILE 41 HD12 ILE 41 -21.318 2.523 -8.920 321 HD13 ILE 41 HD13 ILE 41 -20.915 1.555 -10.337 322 H SER 42 H SER 42 -18.443 -2.367 -8.371 323 HA SER 42 HA SER 42 -18.397 -5.234 -8.469 324 HB2 SER 42 HB2 SER 42 -17.614 -3.645 -10.926 325 HB3 SER 42 HB3 SER 42 -17.256 -5.351 -10.683 326 HG SER 42 HG SER 42 -19.893 -4.809 -10.281 327 H TYR 43 H TYR 43 -17.194 -2.607 -7.241 328 HA TYR 43 HA TYR 43 -14.403 -3.498 -7.454 329 HB2 TYR 43 HB2 TYR 43 -13.591 -1.281 -7.734 330 HB3 TYR 43 HB3 TYR 43 -14.874 -1.494 -8.913 331 HD1 TYR 43 HD1 TYR 43 -16.925 -0.211 -8.765 332 HD2 TYR 43 HD2 TYR 43 -13.905 0.183 -5.796 333 HE1 TYR 43 HE1 TYR 43 -18.024 1.820 -7.919 334 HE2 TYR 43 HE2 TYR 43 -14.997 2.205 -4.937 335 HH TYR 43 HH TYR 43 -16.532 3.968 -5.772 336 H LYS 44 H LYS 44 -13.021 -2.721 -5.738 337 HA LYS 44 HA LYS 44 -14.424 -2.464 -3.164 338 HB2 LYS 44 HB2 LYS 44 -11.529 -3.091 -3.804 339 HB3 LYS 44 HB3 LYS 44 -12.217 -3.023 -2.193 340 HG2 LYS 44 HG2 LYS 44 -12.965 -4.975 -4.357 341 HG3 LYS 44 HG3 LYS 44 -11.967 -5.314 -2.943 342 HD2 LYS 44 HD2 LYS 44 -13.874 -4.793 -1.487 343 HD3 LYS 44 HD3 LYS 44 -14.869 -4.484 -2.912 344 HE2 LYS 44 HE2 LYS 44 -15.336 -6.699 -2.139 345 HE3 LYS 44 HE3 LYS 44 -14.431 -6.818 -3.644 346 HZ1 LYS 44 HZ1 LYS 44 -12.422 -7.208 -2.322 347 HZ2 LYS 44 HZ2 LYS 44 -13.599 -8.387 -2.052 348 HZ3 LYS 44 HZ3 LYS 44 -13.347 -7.170 -0.905 349 H GLU 45 H GLU 45 -13.870 -0.797 -1.729 350 HA GLU 45 HA GLU 45 -13.383 1.720 -2.914 351 HB2 GLU 45 HB2 GLU 45 -14.736 1.414 -0.883 352 HB3 GLU 45 HB3 GLU 45 -13.308 0.939 0.009 353 HG2 GLU 45 HG2 GLU 45 -13.928 3.215 0.496 354 HG3 GLU 45 HG3 GLU 45 -12.384 3.144 -0.335 355 H ASN 46 H ASN 46 -11.285 -0.689 -1.689 356 HA ASN 46 HA ASN 46 -9.031 0.990 -1.169 357 HB2 ASN 46 HB2 ASN 46 -9.074 -1.964 -1.834 358 HB3 ASN 46 HB3 ASN 46 -7.737 -1.083 -1.109 359 HD21 ASN 46 HD21 ASN 46 -7.902 -0.417 1.050 360 HD22 ASN 46 HD22 ASN 46 -9.045 -1.133 2.126 361 H GLY 47 H GLY 47 -10.626 0.168 -3.967 362 HA2 GLY 47 HA2 GLY 47 -10.115 0.513 -6.187 363 HA3 GLY 47 HA3 GLY 47 -8.541 1.138 -5.680 364 H ASP 48 H ASP 48 -8.834 -1.695 -4.166 365 HA ASP 48 HA ASP 48 -7.742 -3.657 -4.286 366 HB2 ASP 48 HB2 ASP 48 -9.607 -4.081 -5.871 367 HB3 ASP 48 HB3 ASP 48 -8.564 -3.563 -7.186 368 H VAL 49 H VAL 49 -6.364 -1.088 -4.972 369 HA VAL 49 HA VAL 49 -4.116 -2.164 -6.505 370 HB VAL 49 HB VAL 49 -3.413 0.336 -6.509 371 HG11 VAL 49 HG11 VAL 49 -4.831 0.759 -8.496 372 HG12 VAL 49 HG12 VAL 49 -5.786 -0.664 -8.080 373 HG13 VAL 49 HG13 VAL 49 -4.084 -0.838 -8.510 374 HG21 VAL 49 HG21 VAL 49 -6.369 0.627 -5.960 375 HG22 VAL 49 HG22 VAL 49 -5.263 1.923 -6.392 376 HG23 VAL 49 HG23 VAL 49 -5.076 1.084 -4.852 377 H HIS 50 H HIS 50 -3.063 -3.273 -4.969 378 HA HIS 50 HA HIS 50 -2.030 -1.774 -2.658 379 HB2 HIS 50 HB2 HIS 50 -3.808 -3.493 -2.089 380 HB3 HIS 50 HB3 HIS 50 -2.714 -4.727 -2.693 381 HD1 HIS 50 HD1 HIS 50 -3.711 -3.151 0.342 382 HD2 HIS 50 HD2 HIS 50 -0.118 -4.626 -1.142 383 HE1 HIS 50 HE1 HIS 50 -2.254 -3.532 2.352 384 HE2 HIS 50 HE2 HIS 50 -0.162 -4.594 1.444 385 H VAL 51 H VAL 51 -0.049 -1.328 -3.560 386 HA VAL 51 HA VAL 51 1.413 -3.592 -4.735 387 HB VAL 51 HB VAL 51 2.793 -1.778 -5.863 388 HG11 VAL 51 HG11 VAL 51 1.168 -1.471 -7.649 389 HG12 VAL 51 HG12 VAL 51 -0.137 -1.950 -6.561 390 HG13 VAL 51 HG13 VAL 51 1.097 -3.123 -7.031 391 HG21 VAL 51 HG21 VAL 51 0.462 -0.082 -5.008 392 HG22 VAL 51 HG22 VAL 51 1.713 0.383 -6.159 393 HG23 VAL 51 HG23 VAL 51 2.134 0.090 -4.473 394 H LEU 52 H LEU 52 3.281 -4.222 -3.927 395 HA LEU 52 HA LEU 52 4.412 -2.787 -1.663 396 HB2 LEU 52 HB2 LEU 52 5.215 -5.422 -2.910 397 HB3 LEU 52 HB3 LEU 52 5.885 -4.743 -1.436 398 HG LEU 52 HG LEU 52 3.025 -5.639 -1.824 399 HD11 LEU 52 HD11 LEU 52 3.627 -7.382 -0.207 400 HD12 LEU 52 HD12 LEU 52 5.299 -6.821 -0.239 401 HD13 LEU 52 HD13 LEU 52 4.569 -7.502 -1.693 402 HD21 LEU 52 HD21 LEU 52 2.767 -5.205 0.556 403 HD22 LEU 52 HD22 LEU 52 3.204 -3.727 -0.301 404 HD23 LEU 52 HD23 LEU 52 4.419 -4.594 0.639 405 H THR 53 H THR 53 5.911 -1.318 -1.967 406 HA THR 53 HA THR 53 7.577 -1.485 -4.385 407 HB THR 53 HB THR 53 5.716 0.120 -4.712 408 HG1 THR 53 HG1 THR 53 7.263 0.929 -5.918 409 HG21 THR 53 HG21 THR 53 5.640 2.191 -3.443 410 HG22 THR 53 HG22 THR 53 6.993 1.650 -2.450 411 HG23 THR 53 HG23 THR 53 5.445 0.805 -2.371 412 H ILE 54 H ILE 54 9.149 0.625 -4.093 413 HA ILE 54 HA ILE 54 10.659 0.009 -1.662 414 HB ILE 54 HB ILE 54 11.359 0.712 -4.441 415 HG12 ILE 54 HG12 ILE 54 12.966 -0.707 -2.333 416 HG13 ILE 54 HG13 ILE 54 11.688 -1.482 -3.241 417 HG21 ILE 54 HG21 ILE 54 13.028 1.760 -2.170 418 HG22 ILE 54 HG22 ILE 54 12.219 2.711 -3.417 419 HG23 ILE 54 HG23 ILE 54 13.556 1.641 -3.848 420 HD11 ILE 54 HD11 ILE 54 13.684 -2.059 -4.319 421 HD12 ILE 54 HD12 ILE 54 14.284 -0.404 -4.245 422 HD13 ILE 54 HD13 ILE 54 12.951 -0.811 -5.326 423 H CYS 55 H CYS 55 10.570 1.417 -0.046 424 HA CYS 55 HA CYS 55 9.594 4.074 -0.352 425 HB2 CYS 55 HB2 CYS 55 10.010 4.357 1.993 426 HB3 CYS 55 HB3 CYS 55 9.394 2.729 1.766 427 H GLU 56 H GLU 56 10.980 5.993 0.467 428 HA GLU 56 HA GLU 56 12.993 6.359 -1.418 429 HB2 GLU 56 HB2 GLU 56 12.467 7.867 1.140 430 HB3 GLU 56 HB3 GLU 56 13.534 8.415 -0.140 431 HG2 GLU 56 HG2 GLU 56 11.613 8.386 -1.696 432 HG3 GLU 56 HG3 GLU 56 10.570 7.976 -0.337 433 H ASP 57 H ASP 57 13.228 5.508 2.013 434 HA ASP 57 HA ASP 57 16.016 5.578 2.259 435 HB2 ASP 57 HB2 ASP 57 14.610 5.399 4.221 436 HB3 ASP 57 HB3 ASP 57 13.988 3.844 3.680 437 H CYS 58 H CYS 58 13.852 3.001 1.190 438 HA CYS 58 HA CYS 58 15.849 1.033 0.838 439 HB2 CYS 58 HB2 CYS 58 13.058 1.385 -0.179 440 HB3 CYS 58 HB3 CYS 58 14.083 0.132 -0.873 441 H GLN 59 H GLN 59 14.349 3.308 -1.465 442 HA GLN 59 HA GLN 59 15.967 2.699 -3.645 443 HB2 GLN 59 HB2 GLN 59 13.988 4.193 -3.730 444 HB3 GLN 59 HB3 GLN 59 14.975 5.468 -3.014 445 HG2 GLN 59 HG2 GLN 59 16.598 4.886 -4.977 446 HG3 GLN 59 HG3 GLN 59 15.149 4.218 -5.710 447 HE21 GLN 59 HE21 GLN 59 16.798 6.417 -6.528 448 HE22 GLN 59 HE22 GLN 59 15.774 7.794 -6.607 449 H GLU 60 H GLU 60 16.731 4.695 -0.836 450 HA GLU 60 HA GLU 60 19.146 5.623 -1.924 451 HB2 GLU 60 HB2 GLU 60 18.029 5.345 0.846 452 HB3 GLU 60 HB3 GLU 60 19.638 5.908 0.566 453 HG2 GLU 60 HG2 GLU 60 18.762 7.749 -0.790 454 HG3 GLU 60 HG3 GLU 60 17.151 7.171 -0.407 455 H ALA 61 H ALA 61 18.321 2.893 0.174 456 HA ALA 61 HA ALA 61 20.802 1.646 0.363 457 HB1 ALA 61 HB1 ALA 61 18.812 0.835 1.532 458 HB2 ALA 61 HB2 ALA 61 19.539 -0.456 0.574 459 HB3 ALA 61 HB3 ALA 61 18.088 0.365 -0.009 460 H LEU 62 H LEU 62 18.563 1.965 -2.179 461 HA LEU 62 HA LEU 62 19.533 0.061 -4.061 462 HB2 LEU 62 HB2 LEU 62 17.791 2.446 -4.033 463 HB3 LEU 62 HB3 LEU 62 18.278 1.829 -5.579 464 HG LEU 62 HG LEU 62 16.280 0.869 -3.696 465 HD11 LEU 62 HD11 LEU 62 16.901 0.338 -6.571 466 HD12 LEU 62 HD12 LEU 62 15.722 1.484 -5.926 467 HD13 LEU 62 HD13 LEU 62 15.463 -0.253 -5.740 468 HD21 LEU 62 HD21 LEU 62 17.910 -0.847 -3.171 469 HD22 LEU 62 HD22 LEU 62 18.123 -1.186 -4.891 470 HD23 LEU 62 HD23 LEU 62 16.576 -1.511 -4.114 471 H ASP 63 H ASP 63 19.734 3.568 -3.951 472 HA ASP 63 HA ASP 63 21.533 3.799 -6.115 473 HB2 ASP 63 HB2 ASP 63 20.107 5.626 -5.691 474 HB3 ASP 63 HB3 ASP 63 20.575 5.713 -3.999 475 H ARG 64 H ARG 64 22.038 3.592 -2.629 476 HA ARG 64 HA ARG 64 24.928 3.656 -3.148 477 HB2 ARG 64 HB2 ARG 64 23.917 5.428 -1.605 478 HB3 ARG 64 HB3 ARG 64 23.567 4.127 -0.481 479 HG2 ARG 64 HG2 ARG 64 26.117 3.606 -0.729 480 HG3 ARG 64 HG3 ARG 64 26.201 5.270 -1.308 481 HD2 ARG 64 HD2 ARG 64 25.166 4.326 1.361 482 HD3 ARG 64 HD3 ARG 64 26.656 5.216 1.061 483 HE ARG 64 HE ARG 64 24.625 6.789 0.066 484 HH11 ARG 64 HH11 ARG 64 25.518 5.424 3.163 485 HH12 ARG 64 HH12 ARG 64 24.787 6.703 4.081 486 HH21 ARG 64 HH21 ARG 64 23.654 8.476 1.274 487 HH22 ARG 64 HH22 ARG 64 23.735 8.442 3.006 488 H ASN 65 H ASN 65 24.632 2.597 -0.136 489 HA ASN 65 HA ASN 65 23.619 0.065 -0.024 490 HB2 ASN 65 HB2 ASN 65 25.212 -0.359 -1.972 491 HB3 ASN 65 HB3 ASN 65 26.514 -0.125 -0.811 492 HD21 ASN 65 HD21 ASN 65 25.761 -2.480 -2.367 493 HD22 ASN 65 HD22 ASN 65 25.500 -3.740 -1.213 494 HA PRO 66 HA PRO 66 25.700 1.487 3.860 495 HB2 PRO 66 HB2 PRO 66 23.103 0.701 4.988 496 HB3 PRO 66 HB3 PRO 66 23.975 2.227 5.157 497 HG2 PRO 66 HG2 PRO 66 21.728 2.021 3.690 498 HG3 PRO 66 HG3 PRO 66 23.036 3.127 3.252 499 HD2 PRO 66 HD2 PRO 66 22.343 0.445 2.122 500 HD3 PRO 66 HD3 PRO 66 22.861 1.923 1.283 501 H HIS 67 H HIS 67 23.293 -1.102 3.507 502 HA HIS 67 HA HIS 67 25.250 -3.157 3.848 503 HB2 HIS 67 HB2 HIS 67 24.217 -4.207 5.847 504 HB3 HIS 67 HB3 HIS 67 24.956 -2.657 6.212 505 HD1 HIS 67 HD1 HIS 67 21.712 -4.446 6.221 506 HD2 HIS 67 HD2 HIS 67 23.121 -0.593 6.860 507 HE1 HIS 67 HE1 HIS 67 19.838 -3.224 7.362 508 HE2 HIS 67 HE2 HIS 67 20.788 -0.958 7.913 509 H TYR 68 H TYR 68 23.569 -2.449 1.817 510 HA TYR 68 HA TYR 68 21.108 -3.988 2.021 511 HB2 TYR 68 HB2 TYR 68 21.006 -1.710 1.121 512 HB3 TYR 68 HB3 TYR 68 22.135 -2.150 -0.153 513 HD1 TYR 68 HD1 TYR 68 21.382 -3.169 -2.145 514 HD2 TYR 68 HD2 TYR 68 18.717 -2.762 1.144 515 HE1 TYR 68 HE1 TYR 68 19.510 -3.829 -3.592 516 HE2 TYR 68 HE2 TYR 68 16.836 -3.425 -0.293 517 HH TYR 68 HH TYR 68 17.275 -4.796 -3.376 518 H HIS 69 H HIS 69 21.740 -6.103 1.895 519 HA HIS 69 HA HIS 69 22.308 -8.080 0.929 520 HB2 HIS 69 HB2 HIS 69 21.447 -6.574 -1.549 521 HB3 HIS 69 HB3 HIS 69 21.669 -8.318 -1.465 522 HD1 HIS 69 HD1 HIS 69 19.729 -9.682 -0.609 523 HD2 HIS 69 HD2 HIS 69 19.261 -5.606 0.079 524 HE1 HIS 69 HE1 HIS 69 17.383 -9.401 0.251 525 HE2 HIS 69 HE2 HIS 69 17.184 -6.954 0.812 526 H GLU 70 H GLU 70 24.516 -6.825 1.536 527 HA GLU 70 HA GLU 70 26.190 -6.403 -0.803 528 HB2 GLU 70 HB2 GLU 70 27.859 -5.616 0.830 529 HB3 GLU 70 HB3 GLU 70 26.320 -4.786 1.011 530 HG2 GLU 70 HG2 GLU 70 25.767 -6.301 2.878 531 HG3 GLU 70 HG3 GLU 70 27.366 -7.021 2.729 532 H TYR 71 H TYR 71 25.197 -9.102 0.307 533 HA TYR 71 HA TYR 71 27.651 -10.451 0.994 534 HB2 TYR 71 HB2 TYR 71 26.146 -12.520 0.816 535 HB3 TYR 71 HB3 TYR 71 25.781 -11.356 2.082 536 HD1 TYR 71 HD1 TYR 71 24.823 -12.125 -1.460 537 HD2 TYR 71 HD2 TYR 71 23.599 -10.691 2.355 538 HE1 TYR 71 HE1 TYR 71 22.502 -11.985 -2.259 539 HE2 TYR 71 HE2 TYR 71 21.281 -10.541 1.561 540 HH TYR 71 HH TYR 71 20.231 -11.988 -1.307 541 H HIS 72 H HIS 72 28.066 -9.240 -1.371 542 HA HIS 72 HA HIS 72 28.337 -11.530 -3.166 543 HB2 HIS 72 HB2 HIS 72 27.742 -10.139 -5.125 544 HB3 HIS 72 HB3 HIS 72 26.397 -10.355 -4.022 545 HD1 HIS 72 HD1 HIS 72 25.152 -8.290 -3.460 546 HD2 HIS 72 HD2 HIS 72 29.030 -7.464 -4.719 547 HE1 HIS 72 HE1 HIS 72 25.314 -5.783 -3.570 548 HE2 HIS 72 HE2 HIS 72 27.626 -5.311 -4.449 549 H THR 73 H THR 73 30.108 -10.161 -1.338 550 HA THR 73 HA THR 73 31.895 -8.550 -2.915 551 HB THR 73 HB THR 73 33.364 -8.722 -0.852 552 HG1 THR 73 HG1 THR 73 32.154 -10.750 -0.211 553 HG21 THR 73 HG21 THR 73 30.539 -7.715 -0.482 554 HG22 THR 73 HG22 THR 73 31.870 -6.822 -1.220 555 HG23 THR 73 HG23 THR 73 31.934 -7.246 0.491 Start of MODEL 17 1 H1 GLN -1 H1 GLN -1 -4.251 15.171 -3.399 2 H2 GLN -1 H2 GLN -1 -4.932 14.290 -2.126 3 H3 GLN -1 H3 GLN -1 -5.710 14.349 -3.623 4 HA GLN -1 HA GLN -1 -3.953 13.158 -4.665 5 HB2 GLN -1 HB2 GLN -1 -2.102 12.210 -3.376 6 HB3 GLN -1 HB3 GLN -1 -2.089 13.961 -3.308 7 HG2 GLN -1 HG2 GLN -1 -3.145 12.182 -1.121 8 HG3 GLN -1 HG3 GLN -1 -1.514 12.843 -1.174 9 HE21 GLN -1 HE21 GLN -1 -3.667 13.211 0.773 10 HE22 GLN -1 HE22 GLN -1 -3.930 14.916 0.867 11 H SER 0 H SER 0 -5.395 11.662 -5.143 12 HA SER 0 HA SER 0 -5.687 9.445 -3.293 13 HB2 SER 0 HB2 SER 0 -7.654 10.913 -2.840 14 HB3 SER 0 HB3 SER 0 -8.116 10.769 -4.535 15 HG SER 0 HG SER 0 -9.243 9.263 -3.264 16 H MET 1 H MET 1 -5.051 7.766 -4.443 17 HA MET 1 HA MET 1 -5.663 7.698 -7.322 18 HB2 MET 1 HB2 MET 1 -3.360 6.400 -5.839 19 HB3 MET 1 HB3 MET 1 -3.671 6.247 -7.561 20 HG2 MET 1 HG2 MET 1 -1.959 7.838 -7.354 21 HG3 MET 1 HG3 MET 1 -3.420 8.752 -7.710 22 HE1 MET 1 HE1 MET 1 -0.876 10.247 -6.641 23 HE2 MET 1 HE2 MET 1 -1.600 11.287 -5.415 24 HE3 MET 1 HE3 MET 1 -2.430 11.020 -6.947 25 H ALA 2 H ALA 2 -5.598 5.278 -8.116 26 HA ALA 2 HA ALA 2 -7.605 3.889 -6.557 27 HB1 ALA 2 HB1 ALA 2 -6.312 3.116 -9.172 28 HB2 ALA 2 HB2 ALA 2 -7.816 4.020 -8.992 29 HB3 ALA 2 HB3 ALA 2 -7.723 2.347 -8.442 30 H LEU 3 H LEU 3 -4.291 3.973 -6.673 31 HA LEU 3 HA LEU 3 -4.050 1.247 -5.617 32 HB2 LEU 3 HB2 LEU 3 -1.721 2.675 -6.812 33 HB3 LEU 3 HB3 LEU 3 -1.938 0.986 -6.571 34 HG LEU 3 HG LEU 3 -3.714 1.133 -8.424 35 HD11 LEU 3 HD11 LEU 3 -3.216 2.946 -10.038 36 HD12 LEU 3 HD12 LEU 3 -2.203 3.692 -8.801 37 HD13 LEU 3 HD13 LEU 3 -3.930 3.502 -8.527 38 HD21 LEU 3 HD21 LEU 3 -1.503 0.037 -8.613 39 HD22 LEU 3 HD22 LEU 3 -0.812 1.581 -9.112 40 HD23 LEU 3 HD23 LEU 3 -2.026 0.793 -10.117 41 H HIS 4 H HIS 4 -2.305 0.968 -4.083 42 HA HIS 4 HA HIS 4 -1.779 3.403 -2.521 43 HB2 HIS 4 HB2 HIS 4 -3.218 1.010 -1.643 44 HB3 HIS 4 HB3 HIS 4 -1.959 1.524 -0.553 45 HD1 HIS 4 HD1 HIS 4 -5.431 1.985 -1.206 46 HD2 HIS 4 HD2 HIS 4 -2.354 4.445 0.133 47 HE1 HIS 4 HE1 HIS 4 -6.556 3.899 -0.019 48 HE2 HIS 4 HE2 HIS 4 -4.682 5.427 0.691 49 H TYR 5 H TYR 5 0.193 3.587 -1.971 50 HA TYR 5 HA TYR 5 2.075 1.508 -2.719 51 HB2 TYR 5 HB2 TYR 5 2.284 4.430 -2.106 52 HB3 TYR 5 HB3 TYR 5 3.729 3.418 -2.029 53 HD1 TYR 5 HD1 TYR 5 4.976 4.192 -3.810 54 HD2 TYR 5 HD2 TYR 5 0.907 3.169 -4.457 55 HE1 TYR 5 HE1 TYR 5 5.318 4.409 -6.224 56 HE2 TYR 5 HE2 TYR 5 1.232 3.386 -6.888 57 HH TYR 5 HH TYR 5 4.351 3.663 -8.300 58 H TYR 6 H TYR 6 2.603 0.042 -1.255 59 HA TYR 6 HA TYR 6 3.342 0.993 1.439 60 HB2 TYR 6 HB2 TYR 6 2.186 -1.708 0.687 61 HB3 TYR 6 HB3 TYR 6 2.818 -1.294 2.276 62 HD1 TYR 6 HD1 TYR 6 1.619 0.359 3.694 63 HD2 TYR 6 HD2 TYR 6 0.010 -1.018 0.002 64 HE1 TYR 6 HE1 TYR 6 -0.600 1.199 4.349 65 HE2 TYR 6 HE2 TYR 6 -2.209 -0.184 0.649 66 HH TYR 6 HH TYR 6 -2.687 1.909 3.277 67 H CYS 7 H CYS 7 5.420 0.377 2.097 68 HA CYS 7 HA CYS 7 6.997 -0.467 -0.157 69 HB2 CYS 7 HB2 CYS 7 7.656 1.362 1.584 70 HB3 CYS 7 HB3 CYS 7 8.276 -0.003 2.485 71 H ARG 8 H ARG 8 7.882 -2.265 -0.570 72 HA ARG 8 HA ARG 8 7.407 -4.595 0.912 73 HB2 ARG 8 HB2 ARG 8 8.900 -5.701 -0.605 74 HB3 ARG 8 HB3 ARG 8 8.012 -4.505 -1.537 75 HG2 ARG 8 HG2 ARG 8 9.878 -3.063 -1.654 76 HG3 ARG 8 HG3 ARG 8 10.752 -3.972 -0.417 77 HD2 ARG 8 HD2 ARG 8 10.581 -5.938 -2.099 78 HD3 ARG 8 HD3 ARG 8 10.243 -4.674 -3.284 79 HE ARG 8 HE ARG 8 12.531 -3.934 -1.832 80 HH11 ARG 8 HH11 ARG 8 11.513 -6.351 -4.173 81 HH12 ARG 8 HH12 ARG 8 13.113 -6.596 -4.798 82 HH21 ARG 8 HH21 ARG 8 14.634 -4.276 -2.668 83 HH22 ARG 8 HH22 ARG 8 14.879 -5.405 -3.962 84 H HIS 9 H HIS 9 8.217 -5.079 2.788 85 HA HIS 9 HA HIS 9 9.857 -5.943 4.158 86 HB2 HIS 9 HB2 HIS 9 11.359 -6.060 2.158 87 HB3 HIS 9 HB3 HIS 9 11.891 -4.423 2.517 88 HD1 HIS 9 HD1 HIS 9 13.986 -4.329 3.813 89 HD2 HIS 9 HD2 HIS 9 11.888 -7.838 4.543 90 HE1 HIS 9 HE1 HIS 9 15.449 -5.682 5.337 91 HE2 HIS 9 HE2 HIS 9 14.101 -7.739 5.872 92 H CYS 10 H CYS 10 10.201 -2.524 3.236 93 HA CYS 10 HA CYS 10 11.069 -1.721 5.843 94 HB2 CYS 10 HB2 CYS 10 9.670 0.015 3.816 95 HB3 CYS 10 HB3 CYS 10 10.726 0.538 5.116 96 H GLY 11 H GLY 11 7.988 -2.120 4.240 97 HA2 GLY 11 HA2 GLY 11 5.886 -2.375 5.122 98 HA3 GLY 11 HA3 GLY 11 6.590 -2.219 6.740 99 H VAL 12 H VAL 12 7.436 0.302 4.656 100 HA VAL 12 HA VAL 12 5.852 2.097 6.206 101 HB VAL 12 HB VAL 12 7.942 3.020 5.984 102 HG11 VAL 12 HG11 VAL 12 7.981 2.688 3.006 103 HG12 VAL 12 HG12 VAL 12 8.616 1.455 4.086 104 HG13 VAL 12 HG13 VAL 12 9.322 3.064 4.084 105 HG21 VAL 12 HG21 VAL 12 7.736 4.993 4.586 106 HG22 VAL 12 HG22 VAL 12 6.244 4.660 5.466 107 HG23 VAL 12 HG23 VAL 12 6.371 4.253 3.754 108 H LYS 13 H LYS 13 4.096 3.126 5.666 109 HA LYS 13 HA LYS 13 2.852 2.414 3.155 110 HB2 LYS 13 HB2 LYS 13 0.956 3.955 4.102 111 HB3 LYS 13 HB3 LYS 13 1.202 2.351 4.752 112 HG2 LYS 13 HG2 LYS 13 0.870 3.614 6.641 113 HG3 LYS 13 HG3 LYS 13 2.620 3.541 6.552 114 HD2 LYS 13 HD2 LYS 13 1.993 5.785 7.094 115 HD3 LYS 13 HD3 LYS 13 2.590 5.771 5.436 116 HE2 LYS 13 HE2 LYS 13 0.312 5.773 4.589 117 HE3 LYS 13 HE3 LYS 13 -0.319 5.708 6.235 118 HZ1 LYS 13 HZ1 LYS 13 1.320 7.923 5.122 119 HZ2 LYS 13 HZ2 LYS 13 0.628 7.872 6.664 120 HZ3 LYS 13 HZ3 LYS 13 -0.360 7.952 5.294 121 H VAL 14 H VAL 14 3.774 3.365 1.522 122 HA VAL 14 HA VAL 14 4.844 6.009 1.670 123 HB VAL 14 HB VAL 14 4.507 5.071 -1.057 124 HG11 VAL 14 HG11 VAL 14 6.955 5.535 0.637 125 HG12 VAL 14 HG12 VAL 14 6.128 6.752 -0.340 126 HG13 VAL 14 HG13 VAL 14 6.924 5.384 -1.119 127 HG21 VAL 14 HG21 VAL 14 4.514 2.827 -0.243 128 HG22 VAL 14 HG22 VAL 14 5.826 3.176 0.884 129 HG23 VAL 14 HG23 VAL 14 6.135 3.167 -0.854 130 H GLY 15 H GLY 15 1.956 4.517 0.366 131 HA2 GLY 15 HA2 GLY 15 -0.089 5.465 -0.110 132 HA3 GLY 15 HA3 GLY 15 0.579 7.032 0.337 133 H SER 16 H SER 16 2.324 7.776 -1.175 134 HA SER 16 HA SER 16 2.470 7.049 -3.854 135 HB2 SER 16 HB2 SER 16 0.188 7.696 -4.136 136 HB3 SER 16 HB3 SER 16 0.417 9.148 -3.170 137 HG SER 16 HG SER 16 0.923 10.138 -4.952 138 H LEU 17 H LEU 17 3.659 8.753 -5.087 139 HA LEU 17 HA LEU 17 4.724 11.007 -3.761 140 HB2 LEU 17 HB2 LEU 17 7.004 10.344 -3.418 141 HB3 LEU 17 HB3 LEU 17 5.966 9.254 -2.528 142 HG LEU 17 HG LEU 17 7.152 8.564 -5.215 143 HD11 LEU 17 HD11 LEU 17 8.191 7.910 -2.465 144 HD12 LEU 17 HD12 LEU 17 8.949 8.989 -3.636 145 HD13 LEU 17 HD13 LEU 17 8.813 7.267 -3.985 146 HD21 LEU 17 HD21 LEU 17 5.975 6.842 -3.034 147 HD22 LEU 17 HD22 LEU 17 6.648 6.273 -4.562 148 HD23 LEU 17 HD23 LEU 17 5.185 7.256 -4.555 149 H GLU 18 H GLU 18 4.741 8.722 -6.287 150 HA GLU 18 HA GLU 18 5.480 10.832 -8.164 151 HB2 GLU 18 HB2 GLU 18 6.561 8.935 -9.535 152 HB3 GLU 18 HB3 GLU 18 7.455 9.586 -8.172 153 HG2 GLU 18 HG2 GLU 18 6.524 7.670 -6.816 154 HG3 GLU 18 HG3 GLU 18 5.958 6.989 -8.339 155 H SER 19 H SER 19 3.422 11.209 -8.793 156 HA SER 19 HA SER 19 1.884 8.938 -9.850 157 HB2 SER 19 HB2 SER 19 -0.033 10.667 -9.576 158 HB3 SER 19 HB3 SER 19 0.563 9.817 -8.156 159 HG SER 19 HG SER 19 1.745 12.256 -8.877 160 H SER 20 H SER 20 3.909 10.826 -11.058 161 HA SER 20 HA SER 20 2.775 12.589 -12.870 162 HB2 SER 20 HB2 SER 20 5.252 10.964 -13.436 163 HB3 SER 20 HB3 SER 20 4.884 12.608 -13.960 164 HG SER 20 HG SER 20 4.966 13.225 -11.731 165 H MET 21 H MET 21 3.446 9.118 -13.232 166 HA MET 21 HA MET 21 1.991 9.206 -15.799 167 HB2 MET 21 HB2 MET 21 3.157 7.202 -16.457 168 HB3 MET 21 HB3 MET 21 4.333 8.412 -15.970 169 HG2 MET 21 HG2 MET 21 4.661 7.307 -13.860 170 HG3 MET 21 HG3 MET 21 3.378 6.156 -14.224 171 HE1 MET 21 HE1 MET 21 4.966 4.122 -13.685 172 HE2 MET 21 HE2 MET 21 6.251 5.257 -13.275 173 HE3 MET 21 HE3 MET 21 6.573 3.925 -14.382 174 H VAL 22 H VAL 22 1.571 8.562 -12.677 175 HA VAL 22 HA VAL 22 -0.112 6.198 -13.068 176 HB VAL 22 HB VAL 22 0.791 7.457 -10.473 177 HG11 VAL 22 HG11 VAL 22 0.083 5.348 -9.476 178 HG12 VAL 22 HG12 VAL 22 -0.481 4.796 -11.053 179 HG13 VAL 22 HG13 VAL 22 -1.253 6.176 -10.271 180 HG21 VAL 22 HG21 VAL 22 2.716 6.620 -11.700 181 HG22 VAL 22 HG22 VAL 22 1.915 5.066 -11.924 182 HG23 VAL 22 HG23 VAL 22 2.377 5.593 -10.305 183 H SER 23 H SER 23 -1.844 7.302 -14.040 184 HA SER 23 HA SER 23 -3.430 8.917 -12.166 185 HB2 SER 23 HB2 SER 23 -3.304 9.503 -15.123 186 HB3 SER 23 HB3 SER 23 -3.992 10.505 -13.847 187 HG SER 23 HG SER 23 -2.018 11.126 -13.229 188 H THR 24 H THR 24 -4.958 7.418 -11.709 189 HA THR 24 HA THR 24 -6.152 5.816 -13.797 190 HB THR 24 HB THR 24 -7.059 6.071 -10.921 191 HG1 THR 24 HG1 THR 24 -5.161 4.250 -12.044 192 HG21 THR 24 HG21 THR 24 -7.944 3.815 -11.287 193 HG22 THR 24 HG22 THR 24 -7.359 3.849 -12.950 194 HG23 THR 24 HG23 THR 24 -8.632 4.957 -12.442 195 H ASP 25 H ASP 25 -7.634 6.700 -15.108 196 HA ASP 25 HA ASP 25 -9.178 9.012 -14.237 197 HB2 ASP 25 HB2 ASP 25 -9.059 7.543 -16.884 198 HB3 ASP 25 HB3 ASP 25 -10.080 8.944 -16.582 199 H SER 26 H SER 26 -9.439 5.645 -14.777 200 HA SER 26 HA SER 26 -12.308 5.497 -14.580 201 HB2 SER 26 HB2 SER 26 -10.932 3.906 -15.915 202 HB3 SER 26 HB3 SER 26 -10.190 3.334 -14.425 203 HG SER 26 HG SER 26 -11.860 2.130 -14.071 204 H LEU 27 H LEU 27 -11.696 6.934 -12.472 205 HA LEU 27 HA LEU 27 -11.815 5.143 -10.186 206 HB2 LEU 27 HB2 LEU 27 -9.514 5.669 -10.437 207 HB3 LEU 27 HB3 LEU 27 -9.874 7.377 -10.598 208 HG LEU 27 HG LEU 27 -10.607 7.476 -8.330 209 HD11 LEU 27 HD11 LEU 27 -11.562 5.241 -8.085 210 HD12 LEU 27 HD12 LEU 27 -10.363 5.530 -6.825 211 HD13 LEU 27 HD13 LEU 27 -9.957 4.526 -8.215 212 HD21 LEU 27 HD21 LEU 27 -8.447 6.985 -7.250 213 HD22 LEU 27 HD22 LEU 27 -8.267 7.812 -8.798 214 HD23 LEU 27 HD23 LEU 27 -7.982 6.077 -8.686 215 H GLY 28 H GLY 28 -13.950 5.710 -9.792 216 HA2 GLY 28 HA2 GLY 28 -14.671 8.510 -9.461 217 HA3 GLY 28 HA3 GLY 28 -15.730 7.121 -9.232 218 H PHE 29 H PHE 29 -12.805 6.658 -7.774 219 HA PHE 29 HA PHE 29 -12.022 6.527 -5.678 220 HB2 PHE 29 HB2 PHE 29 -13.850 8.865 -5.087 221 HB3 PHE 29 HB3 PHE 29 -12.535 8.300 -4.068 222 HD1 PHE 29 HD1 PHE 29 -13.293 10.952 -5.772 223 HD2 PHE 29 HD2 PHE 29 -10.373 7.876 -6.014 224 HE1 PHE 29 HE1 PHE 29 -11.787 12.492 -6.954 225 HE2 PHE 29 HE2 PHE 29 -8.851 9.410 -7.193 226 HZ PHE 29 HZ PHE 29 -9.555 11.720 -7.665 227 H GLN 30 H GLN 30 -15.286 7.610 -4.742 228 HA GLN 30 HA GLN 30 -15.871 4.932 -3.750 229 HB2 GLN 30 HB2 GLN 30 -15.629 7.376 -2.004 230 HB3 GLN 30 HB3 GLN 30 -16.496 5.931 -1.517 231 HG2 GLN 30 HG2 GLN 30 -14.473 4.642 -1.743 232 HG3 GLN 30 HG3 GLN 30 -13.593 6.074 -2.248 233 HE21 GLN 30 HE21 GLN 30 -12.165 6.038 -0.577 234 HE22 GLN 30 HE22 GLN 30 -12.607 6.389 1.060 235 H HIS 31 H HIS 31 -17.335 7.830 -2.546 236 HA HIS 31 HA HIS 31 -19.570 7.527 -4.428 237 HB2 HIS 31 HB2 HIS 31 -19.813 7.875 -1.433 238 HB3 HIS 31 HB3 HIS 31 -21.152 8.038 -2.562 239 HD1 HIS 31 HD1 HIS 31 -19.192 5.550 -0.703 240 HD2 HIS 31 HD2 HIS 31 -21.878 5.571 -3.876 241 HE1 HIS 31 HE1 HIS 31 -19.904 3.157 -1.002 242 HE2 HIS 31 HE2 HIS 31 -21.456 3.180 -2.986 243 H LEU 32 H LEU 32 -18.131 9.241 -5.324 244 HA LEU 32 HA LEU 32 -18.006 11.809 -4.192 245 HB2 LEU 32 HB2 LEU 32 -17.923 10.830 -7.034 246 HB3 LEU 32 HB3 LEU 32 -17.754 12.518 -6.627 247 HG LEU 32 HG LEU 32 -15.901 10.333 -5.714 248 HD11 LEU 32 HD11 LEU 32 -15.651 10.669 -8.068 249 HD12 LEU 32 HD12 LEU 32 -14.317 11.498 -7.270 250 HD13 LEU 32 HD13 LEU 32 -15.687 12.419 -7.878 251 HD21 LEU 32 HD21 LEU 32 -14.489 12.290 -5.035 252 HD22 LEU 32 HD22 LEU 32 -15.957 12.090 -4.087 253 HD23 LEU 32 HD23 LEU 32 -15.880 13.328 -5.339 254 H THR 33 H THR 33 -19.858 11.102 -7.103 255 HA THR 33 HA THR 33 -22.345 11.968 -5.927 256 HB THR 33 HB THR 33 -21.289 13.602 -8.245 257 HG1 THR 33 HG1 THR 33 -20.795 13.842 -5.530 258 HG21 THR 33 HG21 THR 33 -23.573 14.039 -6.318 259 HG22 THR 33 HG22 THR 33 -23.719 13.549 -8.005 260 HG23 THR 33 HG23 THR 33 -23.088 15.145 -7.601 261 H ASN 34 H ASN 34 -24.169 11.634 -7.431 262 HA ASN 34 HA ASN 34 -24.087 9.286 -8.869 263 HB2 ASN 34 HB2 ASN 34 -25.911 11.623 -9.467 264 HB3 ASN 34 HB3 ASN 34 -26.212 9.935 -9.862 265 HD21 ASN 34 HD21 ASN 34 -26.748 8.496 -8.205 266 HD22 ASN 34 HD22 ASN 34 -27.317 9.057 -6.669 267 H GLU 35 H GLU 35 -23.863 12.584 -10.172 268 HA GLU 35 HA GLU 35 -23.614 12.018 -12.854 269 HB2 GLU 35 HB2 GLU 35 -22.394 14.188 -13.004 270 HB3 GLU 35 HB3 GLU 35 -23.916 14.263 -12.124 271 HG2 GLU 35 HG2 GLU 35 -22.608 14.043 -10.013 272 HG3 GLU 35 HG3 GLU 35 -21.153 14.196 -10.988 273 H GLU 36 H GLU 36 -21.088 11.999 -10.396 274 HA GLU 36 HA GLU 36 -18.910 11.579 -12.159 275 HB2 GLU 36 HB2 GLU 36 -19.227 10.830 -9.244 276 HB3 GLU 36 HB3 GLU 36 -17.706 10.830 -10.126 277 HG2 GLU 36 HG2 GLU 36 -19.432 13.250 -9.659 278 HG3 GLU 36 HG3 GLU 36 -18.010 12.816 -8.710 279 H ARG 37 H ARG 37 -20.940 9.412 -10.257 280 HA ARG 37 HA ARG 37 -19.662 6.993 -10.872 281 HB2 ARG 37 HB2 ARG 37 -22.579 7.486 -10.242 282 HB3 ARG 37 HB3 ARG 37 -21.767 5.929 -10.171 283 HG2 ARG 37 HG2 ARG 37 -20.341 6.750 -8.364 284 HG3 ARG 37 HG3 ARG 37 -21.133 8.321 -8.456 285 HD2 ARG 37 HD2 ARG 37 -21.984 6.876 -6.629 286 HD3 ARG 37 HD3 ARG 37 -23.224 7.377 -7.774 287 HE ARG 37 HE ARG 37 -22.183 4.871 -8.553 288 HH11 ARG 37 HH11 ARG 37 -24.120 6.294 -6.010 289 HH12 ARG 37 HH12 ARG 37 -25.084 4.871 -5.771 290 HH21 ARG 37 HH21 ARG 37 -23.450 3.000 -8.252 291 HH22 ARG 37 HH22 ARG 37 -24.697 2.993 -7.045 292 H ASN 38 H ASN 38 -22.327 8.690 -12.433 293 HA ASN 38 HA ASN 38 -22.827 6.654 -14.363 294 HB2 ASN 38 HB2 ASN 38 -24.600 8.171 -13.732 295 HB3 ASN 38 HB3 ASN 38 -23.653 9.560 -14.248 296 HD21 ASN 38 HD21 ASN 38 -23.656 10.146 -16.369 297 HD22 ASN 38 HD22 ASN 38 -24.611 9.358 -17.578 298 H ASP 39 H ASP 39 -20.624 9.321 -14.185 299 HA ASP 39 HA ASP 39 -20.323 9.676 -16.996 300 HB2 ASP 39 HB2 ASP 39 -19.788 11.456 -15.348 301 HB3 ASP 39 HB3 ASP 39 -18.402 10.506 -14.816 302 H MET 40 H MET 40 -18.125 8.233 -14.559 303 HA MET 40 HA MET 40 -16.912 6.730 -16.795 304 HB2 MET 40 HB2 MET 40 -15.308 8.328 -16.044 305 HB3 MET 40 HB3 MET 40 -15.614 7.940 -14.359 306 HG2 MET 40 HG2 MET 40 -13.504 7.017 -15.069 307 HG3 MET 40 HG3 MET 40 -14.640 5.724 -14.690 308 HE1 MET 40 HE1 MET 40 -14.321 7.984 -17.946 309 HE2 MET 40 HE2 MET 40 -13.286 6.943 -18.923 310 HE3 MET 40 HE3 MET 40 -12.673 7.636 -17.422 311 H ILE 41 H ILE 41 -17.535 6.658 -13.294 312 HA ILE 41 HA ILE 41 -18.557 4.078 -13.234 313 HB ILE 41 HB ILE 41 -16.187 3.468 -13.880 314 HG12 ILE 41 HG12 ILE 41 -17.135 2.429 -11.199 315 HG13 ILE 41 HG13 ILE 41 -17.734 1.890 -12.762 316 HG21 ILE 41 HG21 ILE 41 -15.574 4.427 -11.088 317 HG22 ILE 41 HG22 ILE 41 -15.007 5.157 -12.590 318 HG23 ILE 41 HG23 ILE 41 -14.466 3.542 -12.136 319 HD11 ILE 41 HD11 ILE 41 -15.513 1.056 -13.323 320 HD12 ILE 41 HD12 ILE 41 -16.136 0.322 -11.844 321 HD13 ILE 41 HD13 ILE 41 -14.920 1.595 -11.752 322 H SER 42 H SER 42 -18.844 3.311 -10.964 323 HA SER 42 HA SER 42 -19.450 5.513 -9.314 324 HB2 SER 42 HB2 SER 42 -19.451 2.558 -8.702 325 HB3 SER 42 HB3 SER 42 -20.102 3.798 -7.630 326 HG SER 42 HG SER 42 -21.248 2.641 -9.772 327 H TYR 43 H TYR 43 -17.130 2.837 -8.698 328 HA TYR 43 HA TYR 43 -15.430 4.678 -7.247 329 HB2 TYR 43 HB2 TYR 43 -15.563 3.492 -5.118 330 HB3 TYR 43 HB3 TYR 43 -17.150 4.073 -5.587 331 HD1 TYR 43 HD1 TYR 43 -18.785 2.402 -6.606 332 HD2 TYR 43 HD2 TYR 43 -15.199 1.228 -4.646 333 HE1 TYR 43 HE1 TYR 43 -19.696 0.138 -6.310 334 HE2 TYR 43 HE2 TYR 43 -16.097 -1.036 -4.348 335 HH TYR 43 HH TYR 43 -18.854 -2.149 -5.972 336 H LYS 44 H LYS 44 -13.910 2.885 -5.836 337 HA LYS 44 HA LYS 44 -11.963 1.955 -7.454 338 HB2 LYS 44 HB2 LYS 44 -12.951 0.633 -4.922 339 HB3 LYS 44 HB3 LYS 44 -11.370 0.381 -5.642 340 HG2 LYS 44 HG2 LYS 44 -12.335 3.071 -4.710 341 HG3 LYS 44 HG3 LYS 44 -11.462 1.944 -3.674 342 HD2 LYS 44 HD2 LYS 44 -9.594 1.961 -5.297 343 HD3 LYS 44 HD3 LYS 44 -10.465 3.165 -6.247 344 HE2 LYS 44 HE2 LYS 44 -8.834 4.280 -4.866 345 HE3 LYS 44 HE3 LYS 44 -10.451 4.669 -4.286 346 HZ1 LYS 44 HZ1 LYS 44 -9.019 4.200 -2.436 347 HZ2 LYS 44 HZ2 LYS 44 -8.567 2.702 -3.086 348 HZ3 LYS 44 HZ3 LYS 44 -10.157 2.955 -2.561 349 H GLU 45 H GLU 45 -11.822 0.513 -9.027 350 HA GLU 45 HA GLU 45 -13.952 -1.249 -9.691 351 HB2 GLU 45 HB2 GLU 45 -11.144 -1.069 -10.762 352 HB3 GLU 45 HB3 GLU 45 -12.398 -2.067 -11.460 353 HG2 GLU 45 HG2 GLU 45 -13.704 -0.066 -11.876 354 HG3 GLU 45 HG3 GLU 45 -12.408 0.923 -11.225 355 H ASN 46 H ASN 46 -10.714 -1.768 -8.346 356 HA ASN 46 HA ASN 46 -11.379 -4.606 -7.918 357 HB2 ASN 46 HB2 ASN 46 -9.272 -4.049 -9.153 358 HB3 ASN 46 HB3 ASN 46 -8.684 -3.231 -7.712 359 HD21 ASN 46 HD21 ASN 46 -6.922 -4.582 -7.536 360 HD22 ASN 46 HD22 ASN 46 -7.056 -6.229 -7.028 361 H GLY 47 H GLY 47 -11.836 -1.880 -6.399 362 HA2 GLY 47 HA2 GLY 47 -12.466 -1.590 -4.158 363 HA3 GLY 47 HA3 GLY 47 -11.564 -3.055 -3.744 364 H ASP 48 H ASP 48 -9.154 -2.367 -5.031 365 HA ASP 48 HA ASP 48 -8.022 0.090 -4.757 366 HB2 ASP 48 HB2 ASP 48 -8.722 -0.292 -2.266 367 HB3 ASP 48 HB3 ASP 48 -7.343 -1.388 -2.227 368 H VAL 49 H VAL 49 -5.680 -0.016 -5.037 369 HA VAL 49 HA VAL 49 -4.813 -2.730 -5.728 370 HB VAL 49 HB VAL 49 -3.458 -0.234 -6.655 371 HG11 VAL 49 HG11 VAL 49 -2.171 -2.295 -6.804 372 HG12 VAL 49 HG12 VAL 49 -2.587 -1.683 -8.405 373 HG13 VAL 49 HG13 VAL 49 -3.473 -3.047 -7.725 374 HG21 VAL 49 HG21 VAL 49 -5.663 0.010 -7.466 375 HG22 VAL 49 HG22 VAL 49 -5.774 -1.697 -7.887 376 HG23 VAL 49 HG23 VAL 49 -4.713 -0.631 -8.807 377 H HIS 50 H HIS 50 -3.804 -3.630 -4.063 378 HA HIS 50 HA HIS 50 -2.154 -2.161 -2.248 379 HB2 HIS 50 HB2 HIS 50 -3.366 -4.226 -1.604 380 HB3 HIS 50 HB3 HIS 50 -2.344 -5.149 -2.696 381 HD1 HIS 50 HD1 HIS 50 -0.703 -6.423 -1.394 382 HD2 HIS 50 HD2 HIS 50 -1.420 -2.692 0.287 383 HE1 HIS 50 HE1 HIS 50 0.796 -6.290 0.621 384 HE2 HIS 50 HE2 HIS 50 0.259 -4.073 1.690 385 H VAL 51 H VAL 51 -0.357 -1.275 -2.973 386 HA VAL 51 HA VAL 51 1.183 -2.641 -5.069 387 HB VAL 51 HB VAL 51 0.914 0.275 -4.342 388 HG11 VAL 51 HG11 VAL 51 3.218 -0.180 -4.979 389 HG12 VAL 51 HG12 VAL 51 2.373 0.793 -6.182 390 HG13 VAL 51 HG13 VAL 51 2.654 -0.923 -6.477 391 HG21 VAL 51 HG21 VAL 51 -0.952 -0.538 -5.594 392 HG22 VAL 51 HG22 VAL 51 0.110 -1.315 -6.766 393 HG23 VAL 51 HG23 VAL 51 0.052 0.445 -6.663 394 H LEU 52 H LEU 52 3.089 -3.468 -4.515 395 HA LEU 52 HA LEU 52 4.446 -2.451 -2.114 396 HB2 LEU 52 HB2 LEU 52 4.806 -5.029 -3.649 397 HB3 LEU 52 HB3 LEU 52 5.855 -4.524 -2.338 398 HG LEU 52 HG LEU 52 4.362 -6.130 -1.452 399 HD11 LEU 52 HD11 LEU 52 3.348 -3.410 -0.652 400 HD12 LEU 52 HD12 LEU 52 4.772 -4.221 -0.000 401 HD13 LEU 52 HD13 LEU 52 3.168 -4.903 0.268 402 HD21 LEU 52 HD21 LEU 52 1.916 -5.907 -1.567 403 HD22 LEU 52 HD22 LEU 52 2.653 -6.127 -3.153 404 HD23 LEU 52 HD23 LEU 52 2.109 -4.527 -2.648 405 H THR 53 H THR 53 5.864 -0.914 -2.557 406 HA THR 53 HA THR 53 7.596 -1.220 -4.928 407 HB THR 53 HB THR 53 5.904 0.595 -5.216 408 HG1 THR 53 HG1 THR 53 7.705 2.322 -5.443 409 HG21 THR 53 HG21 THR 53 5.628 1.303 -2.931 410 HG22 THR 53 HG22 THR 53 6.207 2.670 -3.884 411 HG23 THR 53 HG23 THR 53 7.322 1.792 -2.838 412 H ILE 54 H ILE 54 9.381 0.757 -4.496 413 HA ILE 54 HA ILE 54 10.512 0.162 -1.850 414 HB ILE 54 HB ILE 54 11.687 0.003 -4.503 415 HG12 ILE 54 HG12 ILE 54 12.688 -0.782 -1.767 416 HG13 ILE 54 HG13 ILE 54 11.687 -1.771 -2.813 417 HG21 ILE 54 HG21 ILE 54 12.634 2.183 -4.020 418 HG22 ILE 54 HG22 ILE 54 13.884 0.936 -3.976 419 HG23 ILE 54 HG23 ILE 54 13.238 1.593 -2.470 420 HD11 ILE 54 HD11 ILE 54 14.017 -2.458 -2.878 421 HD12 ILE 54 HD12 ILE 54 14.481 -0.848 -3.427 422 HD13 ILE 54 HD13 ILE 54 13.480 -1.878 -4.451 423 H CYS 55 H CYS 55 10.281 1.800 -0.537 424 HA CYS 55 HA CYS 55 9.865 4.489 -1.312 425 HB2 CYS 55 HB2 CYS 55 9.893 5.032 1.037 426 HB3 CYS 55 HB3 CYS 55 9.028 3.514 0.829 427 H GLU 56 H GLU 56 11.333 6.176 0.107 428 HA GLU 56 HA GLU 56 13.737 6.278 -1.390 429 HB2 GLU 56 HB2 GLU 56 12.898 7.965 0.971 430 HB3 GLU 56 HB3 GLU 56 14.130 8.367 -0.214 431 HG2 GLU 56 HG2 GLU 56 12.476 8.476 -1.965 432 HG3 GLU 56 HG3 GLU 56 11.222 7.965 -0.840 433 H ASP 57 H ASP 57 12.964 5.278 1.881 434 HA ASP 57 HA ASP 57 15.477 5.404 3.073 435 HB2 ASP 57 HB2 ASP 57 13.441 4.927 4.339 436 HB3 ASP 57 HB3 ASP 57 13.276 3.375 3.527 437 H CYS 58 H CYS 58 14.000 2.685 1.333 438 HA CYS 58 HA CYS 58 16.336 1.052 1.565 439 HB2 CYS 58 HB2 CYS 58 15.022 -0.384 -0.144 440 HB3 CYS 58 HB3 CYS 58 14.350 -0.206 1.471 441 H GLN 59 H GLN 59 14.736 2.744 -1.136 442 HA GLN 59 HA GLN 59 16.378 2.014 -3.224 443 HB2 GLN 59 HB2 GLN 59 14.293 3.247 -3.511 444 HB3 GLN 59 HB3 GLN 59 14.998 4.666 -2.761 445 HG2 GLN 59 HG2 GLN 59 16.260 3.539 -5.216 446 HG3 GLN 59 HG3 GLN 59 14.772 4.476 -5.354 447 HE21 GLN 59 HE21 GLN 59 17.484 5.047 -6.300 448 HE22 GLN 59 HE22 GLN 59 17.914 6.570 -5.606 449 H GLU 60 H GLU 60 16.959 4.488 -0.804 450 HA GLU 60 HA GLU 60 19.047 5.788 -2.162 451 HB2 GLU 60 HB2 GLU 60 17.646 6.482 -0.119 452 HB3 GLU 60 HB3 GLU 60 18.828 5.625 0.820 453 HG2 GLU 60 HG2 GLU 60 19.262 8.022 0.716 454 HG3 GLU 60 HG3 GLU 60 20.542 7.044 0.030 455 H ALA 61 H ALA 61 19.085 3.515 0.545 456 HA ALA 61 HA ALA 61 21.886 3.171 0.603 457 HB1 ALA 61 HB1 ALA 61 20.487 2.584 2.513 458 HB2 ALA 61 HB2 ALA 61 21.385 1.170 1.961 459 HB3 ALA 61 HB3 ALA 61 19.677 1.342 1.559 460 H LEU 62 H LEU 62 19.258 1.857 -1.142 461 HA LEU 62 HA LEU 62 20.305 -0.538 -2.092 462 HB2 LEU 62 HB2 LEU 62 17.992 0.940 -2.362 463 HB3 LEU 62 HB3 LEU 62 18.645 0.920 -3.991 464 HG LEU 62 HG LEU 62 18.923 -1.648 -3.307 465 HD11 LEU 62 HD11 LEU 62 17.874 -1.446 -1.163 466 HD12 LEU 62 HD12 LEU 62 16.833 -2.392 -2.227 467 HD13 LEU 62 HD13 LEU 62 16.451 -0.703 -1.891 468 HD21 LEU 62 HD21 LEU 62 16.869 -2.078 -4.614 469 HD22 LEU 62 HD22 LEU 62 17.935 -0.893 -5.366 470 HD23 LEU 62 HD23 LEU 62 16.488 -0.358 -4.511 471 H ASP 63 H ASP 63 20.100 2.576 -3.752 472 HA ASP 63 HA ASP 63 21.705 1.716 -5.944 473 HB2 ASP 63 HB2 ASP 63 19.950 3.423 -6.174 474 HB3 ASP 63 HB3 ASP 63 20.870 4.513 -5.143 475 H ARG 64 H ARG 64 22.407 3.305 -2.914 476 HA ARG 64 HA ARG 64 24.932 4.355 -3.749 477 HB2 ARG 64 HB2 ARG 64 23.744 3.966 -1.002 478 HB3 ARG 64 HB3 ARG 64 25.313 4.704 -1.284 479 HG2 ARG 64 HG2 ARG 64 24.256 6.469 -2.598 480 HG3 ARG 64 HG3 ARG 64 22.678 5.730 -2.320 481 HD2 ARG 64 HD2 ARG 64 22.980 7.561 -0.784 482 HD3 ARG 64 HD3 ARG 64 23.007 6.043 0.112 483 HE ARG 64 HE ARG 64 25.620 6.974 -0.647 484 HH11 ARG 64 HH11 ARG 64 23.084 7.229 1.760 485 HH12 ARG 64 HH12 ARG 64 24.153 7.749 3.022 486 HH21 ARG 64 HH21 ARG 64 27.032 7.669 1.017 487 HH22 ARG 64 HH22 ARG 64 26.400 7.991 2.598 488 H ASN 65 H ASN 65 23.950 1.456 -1.925 489 HA ASN 65 HA ASN 65 26.542 0.258 -2.472 490 HB2 ASN 65 HB2 ASN 65 26.948 -0.257 -0.066 491 HB3 ASN 65 HB3 ASN 65 27.036 1.461 -0.432 492 HD21 ASN 65 HD21 ASN 65 25.204 -1.050 1.147 493 HD22 ASN 65 HD22 ASN 65 24.193 0.008 2.073 494 HA PRO 66 HA PRO 66 24.123 -3.523 -2.107 495 HB2 PRO 66 HB2 PRO 66 26.483 -4.957 -1.174 496 HB3 PRO 66 HB3 PRO 66 25.629 -5.111 -2.710 497 HG2 PRO 66 HG2 PRO 66 28.115 -4.046 -2.514 498 HG3 PRO 66 HG3 PRO 66 26.949 -3.546 -3.752 499 HD2 PRO 66 HD2 PRO 66 27.681 -2.193 -1.181 500 HD3 PRO 66 HD3 PRO 66 27.388 -1.486 -2.785 501 H HIS 67 H HIS 67 23.591 -5.214 -0.469 502 HA HIS 67 HA HIS 67 22.896 -5.814 1.613 503 HB2 HIS 67 HB2 HIS 67 25.450 -4.425 2.443 504 HB3 HIS 67 HB3 HIS 67 24.414 -5.303 3.560 505 HD1 HIS 67 HD1 HIS 67 24.428 -7.884 3.407 506 HD2 HIS 67 HD2 HIS 67 27.027 -6.006 0.765 507 HE1 HIS 67 HE1 HIS 67 25.959 -9.688 2.571 508 HE2 HIS 67 HE2 HIS 67 27.652 -8.487 1.149 509 H TYR 68 H TYR 68 21.461 -3.854 0.690 510 HA TYR 68 HA TYR 68 21.500 -1.403 2.049 511 HB2 TYR 68 HB2 TYR 68 19.131 -1.181 1.259 512 HB3 TYR 68 HB3 TYR 68 20.291 -1.557 -0.006 513 HD1 TYR 68 HD1 TYR 68 17.440 -2.809 1.934 514 HD2 TYR 68 HD2 TYR 68 20.243 -3.705 -1.134 515 HE1 TYR 68 HE1 TYR 68 16.052 -4.711 1.226 516 HE2 TYR 68 HE2 TYR 68 18.866 -5.608 -1.848 517 HH TYR 68 HH TYR 68 15.669 -6.120 -0.636 518 H HIS 69 H HIS 69 20.711 -0.710 3.898 519 HA HIS 69 HA HIS 69 19.633 -0.559 5.874 520 HB2 HIS 69 HB2 HIS 69 17.649 -1.537 4.635 521 HB3 HIS 69 HB3 HIS 69 18.138 -3.107 5.261 522 HD1 HIS 69 HD1 HIS 69 16.912 -3.728 7.324 523 HD2 HIS 69 HD2 HIS 69 17.377 0.387 6.979 524 HE1 HIS 69 HE1 HIS 69 15.770 -2.747 9.337 525 HE2 HIS 69 HE2 HIS 69 15.980 -0.254 9.057 526 H GLU 70 H GLU 70 20.799 -3.778 5.009 527 HA GLU 70 HA GLU 70 21.427 -4.443 7.749 528 HB2 GLU 70 HB2 GLU 70 22.106 -5.782 5.128 529 HB3 GLU 70 HB3 GLU 70 22.609 -6.404 6.693 530 HG2 GLU 70 HG2 GLU 70 20.209 -6.526 7.337 531 HG3 GLU 70 HG3 GLU 70 19.800 -6.081 5.681 532 H TYR 71 H TYR 71 22.533 -2.088 7.375 533 HA TYR 71 HA TYR 71 25.406 -2.653 7.192 534 HB2 TYR 71 HB2 TYR 71 24.092 -1.277 5.235 535 HB3 TYR 71 HB3 TYR 71 24.550 0.035 6.317 536 HD1 TYR 71 HD1 TYR 71 25.526 -1.627 3.492 537 HD2 TYR 71 HD2 TYR 71 27.136 -0.319 7.204 538 HE1 TYR 71 HE1 TYR 71 27.778 -1.644 2.514 539 HE2 TYR 71 HE2 TYR 71 29.395 -0.331 6.233 540 HH TYR 71 HH TYR 71 30.583 -1.475 4.366 541 H HIS 72 H HIS 72 26.535 -1.860 8.846 542 HA HIS 72 HA HIS 72 25.293 -0.981 11.170 543 HB2 HIS 72 HB2 HIS 72 27.565 -0.494 12.019 544 HB3 HIS 72 HB3 HIS 72 27.453 -2.067 11.246 545 HD1 HIS 72 HD1 HIS 72 29.030 -2.530 9.336 546 HD2 HIS 72 HD2 HIS 72 29.028 1.466 10.489 547 HE1 HIS 72 HE1 HIS 72 30.949 -1.466 8.106 548 HE2 HIS 72 HE2 HIS 72 31.029 0.905 8.947 549 H THR 73 H THR 73 26.387 0.851 8.464 550 HA THR 73 HA THR 73 25.146 3.208 9.551 551 HB THR 73 HB THR 73 28.046 3.377 8.696 552 HG1 THR 73 HG1 THR 73 26.874 2.895 11.154 553 HG21 THR 73 HG21 THR 73 26.209 5.436 9.929 554 HG22 THR 73 HG22 THR 73 26.697 5.384 8.237 555 HG23 THR 73 HG23 THR 73 27.899 5.681 9.490 Start of MODEL 18 1 H1 GLN -1 H1 GLN -1 -8.367 7.582 -7.314 2 H2 GLN -1 H2 GLN -1 -6.881 8.043 -6.655 3 H3 GLN -1 H3 GLN -1 -7.102 8.049 -8.328 4 HA GLN -1 HA GLN -1 -8.665 9.813 -8.210 5 HB2 GLN -1 HB2 GLN -1 -8.200 9.702 -5.224 6 HB3 GLN -1 HB3 GLN -1 -9.143 10.921 -6.064 7 HG2 GLN -1 HG2 GLN -1 -10.734 9.233 -6.774 8 HG3 GLN -1 HG3 GLN -1 -9.774 7.982 -5.986 9 HE21 GLN -1 HE21 GLN -1 -12.535 8.756 -5.506 10 HE22 GLN -1 HE22 GLN -1 -12.625 9.198 -3.835 11 H SER 0 H SER 0 -6.959 11.022 -5.480 12 HA SER 0 HA SER 0 -5.305 12.668 -7.154 13 HB2 SER 0 HB2 SER 0 -6.253 13.470 -4.986 14 HB3 SER 0 HB3 SER 0 -5.214 12.323 -4.143 15 HG SER 0 HG SER 0 -4.500 14.625 -5.608 16 H MET 1 H MET 1 -4.899 9.853 -5.107 17 HA MET 1 HA MET 1 -2.113 9.561 -5.923 18 HB2 MET 1 HB2 MET 1 -3.854 7.792 -4.181 19 HB3 MET 1 HB3 MET 1 -2.134 7.572 -4.461 20 HG2 MET 1 HG2 MET 1 -1.662 9.679 -3.355 21 HG3 MET 1 HG3 MET 1 -3.386 9.957 -3.119 22 HE1 MET 1 HE1 MET 1 -2.983 10.374 -0.546 23 HE2 MET 1 HE2 MET 1 -1.253 10.090 -0.741 24 HE3 MET 1 HE3 MET 1 -2.150 9.243 0.520 25 H ALA 2 H ALA 2 -1.455 7.473 -6.905 26 HA ALA 2 HA ALA 2 -3.446 6.606 -8.854 27 HB1 ALA 2 HB1 ALA 2 -1.274 7.345 -9.718 28 HB2 ALA 2 HB2 ALA 2 -1.591 5.654 -10.099 29 HB3 ALA 2 HB3 ALA 2 -0.485 6.069 -8.793 30 H LEU 3 H LEU 3 -0.867 5.057 -7.033 31 HA LEU 3 HA LEU 3 -2.725 2.888 -6.342 32 HB2 LEU 3 HB2 LEU 3 0.151 2.603 -7.193 33 HB3 LEU 3 HB3 LEU 3 -0.739 1.334 -6.409 34 HG LEU 3 HG LEU 3 -2.390 1.537 -8.370 35 HD11 LEU 3 HD11 LEU 3 0.026 2.882 -9.512 36 HD12 LEU 3 HD12 LEU 3 -1.531 3.638 -9.186 37 HD13 LEU 3 HD13 LEU 3 -1.402 2.379 -10.417 38 HD21 LEU 3 HD21 LEU 3 -0.935 -0.382 -8.046 39 HD22 LEU 3 HD22 LEU 3 0.405 0.490 -8.790 40 HD23 LEU 3 HD23 LEU 3 -1.006 0.054 -9.754 41 H HIS 4 H HIS 4 -2.271 1.822 -4.329 42 HA HIS 4 HA HIS 4 -1.190 3.717 -2.399 43 HB2 HIS 4 HB2 HIS 4 -2.520 1.037 -1.962 44 HB3 HIS 4 HB3 HIS 4 -2.058 2.149 -0.692 45 HD1 HIS 4 HD1 HIS 4 -4.994 1.061 -2.119 46 HD2 HIS 4 HD2 HIS 4 -3.415 4.875 -1.554 47 HE1 HIS 4 HE1 HIS 4 -6.956 2.629 -2.190 48 HE2 HIS 4 HE2 HIS 4 -5.992 4.919 -1.771 49 H TYR 5 H TYR 5 0.778 3.582 -1.668 50 HA TYR 5 HA TYR 5 2.402 1.303 -2.505 51 HB2 TYR 5 HB2 TYR 5 3.011 4.160 -1.838 52 HB3 TYR 5 HB3 TYR 5 4.286 2.939 -1.781 53 HD1 TYR 5 HD1 TYR 5 5.214 4.660 -3.452 54 HD2 TYR 5 HD2 TYR 5 1.939 2.093 -4.302 55 HE1 TYR 5 HE1 TYR 5 5.632 4.934 -5.841 56 HE2 TYR 5 HE2 TYR 5 2.339 2.363 -6.708 57 HH TYR 5 HH TYR 5 5.186 3.807 -7.939 58 H TYR 6 H TYR 6 3.046 -0.138 -1.106 59 HA TYR 6 HA TYR 6 3.607 0.703 1.653 60 HB2 TYR 6 HB2 TYR 6 2.351 -1.928 0.817 61 HB3 TYR 6 HB3 TYR 6 2.762 -1.452 2.465 62 HD1 TYR 6 HD1 TYR 6 0.339 -1.156 -0.232 63 HD2 TYR 6 HD2 TYR 6 1.495 0.373 3.571 64 HE1 TYR 6 HE1 TYR 6 -1.869 -0.120 0.019 65 HE2 TYR 6 HE2 TYR 6 -0.719 1.407 3.828 66 HH TYR 6 HH TYR 6 -3.340 0.660 1.822 67 H CYS 7 H CYS 7 5.605 0.022 2.380 68 HA CYS 7 HA CYS 7 7.302 -0.830 0.234 69 HB2 CYS 7 HB2 CYS 7 7.986 0.911 1.953 70 HB3 CYS 7 HB3 CYS 7 8.245 -0.418 3.049 71 H ARG 8 H ARG 8 8.242 -2.600 -0.163 72 HA ARG 8 HA ARG 8 7.737 -4.985 1.253 73 HB2 ARG 8 HB2 ARG 8 9.485 -5.963 -0.155 74 HB3 ARG 8 HB3 ARG 8 8.407 -4.966 -1.124 75 HG2 ARG 8 HG2 ARG 8 10.008 -3.187 -1.178 76 HG3 ARG 8 HG3 ARG 8 11.060 -4.051 -0.052 77 HD2 ARG 8 HD2 ARG 8 11.192 -5.882 -1.786 78 HD3 ARG 8 HD3 ARG 8 10.410 -4.757 -2.900 79 HE ARG 8 HE ARG 8 12.616 -3.522 -1.654 80 HH11 ARG 8 HH11 ARG 8 11.864 -5.902 -4.099 81 HH12 ARG 8 HH12 ARG 8 13.335 -5.651 -4.980 82 HH21 ARG 8 HH21 ARG 8 14.565 -3.212 -2.790 83 HH22 ARG 8 HH22 ARG 8 14.882 -4.136 -4.224 84 H HIS 9 H HIS 9 8.533 -5.583 3.025 85 HA HIS 9 HA HIS 9 10.109 -6.335 4.532 86 HB2 HIS 9 HB2 HIS 9 11.921 -6.062 2.897 87 HB3 HIS 9 HB3 HIS 9 11.998 -4.343 3.253 88 HD1 HIS 9 HD1 HIS 9 13.279 -7.610 4.353 89 HD2 HIS 9 HD2 HIS 9 13.044 -3.749 5.884 90 HE1 HIS 9 HE1 HIS 9 14.909 -7.536 6.265 91 HE2 HIS 9 HE2 HIS 9 14.743 -5.200 7.185 92 H CYS 10 H CYS 10 9.970 -2.852 3.935 93 HA CYS 10 HA CYS 10 10.339 -2.212 6.710 94 HB2 CYS 10 HB2 CYS 10 9.331 -0.479 4.467 95 HB3 CYS 10 HB3 CYS 10 9.884 0.087 6.034 96 H GLY 11 H GLY 11 7.606 -2.445 4.501 97 HA2 GLY 11 HA2 GLY 11 5.351 -2.627 4.977 98 HA3 GLY 11 HA3 GLY 11 5.744 -2.531 6.701 99 H VAL 12 H VAL 12 7.221 -0.039 4.982 100 HA VAL 12 HA VAL 12 5.524 1.859 6.230 101 HB VAL 12 HB VAL 12 7.773 2.492 6.320 102 HG11 VAL 12 HG11 VAL 12 8.472 1.079 4.365 103 HG12 VAL 12 HG12 VAL 12 9.273 2.637 4.497 104 HG13 VAL 12 HG13 VAL 12 7.972 2.410 3.326 105 HG21 VAL 12 HG21 VAL 12 7.849 4.618 5.169 106 HG22 VAL 12 HG22 VAL 12 6.247 4.329 5.852 107 HG23 VAL 12 HG23 VAL 12 6.527 4.100 4.126 108 H LYS 13 H LYS 13 4.074 3.147 5.448 109 HA LYS 13 HA LYS 13 2.934 2.507 2.887 110 HB2 LYS 13 HB2 LYS 13 2.136 4.830 4.634 111 HB3 LYS 13 HB3 LYS 13 1.138 3.913 3.517 112 HG2 LYS 13 HG2 LYS 13 1.214 1.986 4.989 113 HG3 LYS 13 HG3 LYS 13 2.267 2.861 6.101 114 HD2 LYS 13 HD2 LYS 13 0.441 4.574 6.317 115 HD3 LYS 13 HD3 LYS 13 -0.599 3.478 5.406 116 HE2 LYS 13 HE2 LYS 13 0.729 2.927 8.060 117 HE3 LYS 13 HE3 LYS 13 -0.988 3.205 7.779 118 HZ1 LYS 13 HZ1 LYS 13 -0.996 1.177 6.392 119 HZ2 LYS 13 HZ2 LYS 13 -0.600 0.873 8.003 120 HZ3 LYS 13 HZ3 LYS 13 0.613 0.892 6.828 121 H VAL 14 H VAL 14 4.297 3.147 1.284 122 HA VAL 14 HA VAL 14 5.884 5.500 1.442 123 HB VAL 14 HB VAL 14 5.432 4.381 -1.252 124 HG11 VAL 14 HG11 VAL 14 7.904 4.921 0.369 125 HG12 VAL 14 HG12 VAL 14 7.147 6.038 -0.773 126 HG13 VAL 14 HG13 VAL 14 7.851 4.527 -1.351 127 HG21 VAL 14 HG21 VAL 14 5.286 2.288 -0.119 128 HG22 VAL 14 HG22 VAL 14 6.630 2.704 0.944 129 HG23 VAL 14 HG23 VAL 14 6.916 2.424 -0.776 130 H GLY 15 H GLY 15 2.764 4.762 0.065 131 HA2 GLY 15 HA2 GLY 15 2.635 7.081 -1.625 132 HA3 GLY 15 HA3 GLY 15 1.299 6.012 -1.221 133 H SER 16 H SER 16 2.438 6.685 1.664 134 HA SER 16 HA SER 16 0.770 9.083 1.984 135 HB2 SER 16 HB2 SER 16 -0.255 7.068 2.971 136 HB3 SER 16 HB3 SER 16 1.201 6.792 3.925 137 HG SER 16 HG SER 16 0.328 8.030 5.358 138 H LEU 17 H LEU 17 1.494 10.634 3.514 139 HA LEU 17 HA LEU 17 4.276 10.289 4.394 140 HB2 LEU 17 HB2 LEU 17 4.699 12.651 3.996 141 HB3 LEU 17 HB3 LEU 17 4.223 11.847 2.515 142 HG LEU 17 HG LEU 17 2.188 13.340 4.139 143 HD11 LEU 17 HD11 LEU 17 2.657 15.325 2.813 144 HD12 LEU 17 HD12 LEU 17 4.038 14.516 2.074 145 HD13 LEU 17 HD13 LEU 17 4.046 14.876 3.800 146 HD21 LEU 17 HD21 LEU 17 1.413 11.903 2.312 147 HD22 LEU 17 HD22 LEU 17 2.462 12.768 1.188 148 HD23 LEU 17 HD23 LEU 17 1.121 13.606 1.967 149 H GLU 18 H GLU 18 1.095 11.194 5.087 150 HA GLU 18 HA GLU 18 1.719 12.458 7.607 151 HB2 GLU 18 HB2 GLU 18 -0.964 11.687 6.463 152 HB3 GLU 18 HB3 GLU 18 -0.681 12.759 7.830 153 HG2 GLU 18 HG2 GLU 18 0.451 14.345 6.359 154 HG3 GLU 18 HG3 GLU 18 0.176 13.272 4.989 155 H SER 19 H SER 19 -0.625 9.936 6.925 156 HA SER 19 HA SER 19 -1.149 7.967 7.944 157 HB2 SER 19 HB2 SER 19 1.807 7.900 8.511 158 HB3 SER 19 HB3 SER 19 0.724 6.513 8.508 159 HG SER 19 HG SER 19 2.079 7.219 6.510 160 H SER 20 H SER 20 -1.538 10.203 9.554 161 HA SER 20 HA SER 20 -0.633 9.381 12.200 162 HB2 SER 20 HB2 SER 20 -2.183 11.850 11.380 163 HB3 SER 20 HB3 SER 20 -1.498 11.533 12.973 164 HG SER 20 HG SER 20 0.568 11.310 11.725 165 H MET 21 H MET 21 -3.750 10.544 10.876 166 HA MET 21 HA MET 21 -5.098 8.644 12.662 167 HB2 MET 21 HB2 MET 21 -6.260 11.020 11.201 168 HB3 MET 21 HB3 MET 21 -7.066 10.043 12.421 169 HG2 MET 21 HG2 MET 21 -4.611 11.713 12.897 170 HG3 MET 21 HG3 MET 21 -6.254 12.205 13.269 171 HE1 MET 21 HE1 MET 21 -7.249 9.656 16.078 172 HE2 MET 21 HE2 MET 21 -7.487 9.402 14.349 173 HE3 MET 21 HE3 MET 21 -7.786 10.990 15.056 174 H VAL 22 H VAL 22 -4.250 9.096 9.436 175 HA VAL 22 HA VAL 22 -6.581 7.802 8.320 176 HB VAL 22 HB VAL 22 -5.555 9.552 7.003 177 HG11 VAL 22 HG11 VAL 22 -3.255 9.358 7.784 178 HG12 VAL 22 HG12 VAL 22 -3.338 9.355 6.024 179 HG13 VAL 22 HG13 VAL 22 -3.075 7.846 6.895 180 HG21 VAL 22 HG21 VAL 22 -5.169 6.847 5.736 181 HG22 VAL 22 HG22 VAL 22 -5.279 8.379 4.867 182 HG23 VAL 22 HG23 VAL 22 -6.663 7.783 5.784 183 H SER 23 H SER 23 -6.352 5.902 9.669 184 HA SER 23 HA SER 23 -4.177 4.085 9.132 185 HB2 SER 23 HB2 SER 23 -6.771 3.596 10.590 186 HB3 SER 23 HB3 SER 23 -5.330 2.586 10.660 187 HG SER 23 HG SER 23 -4.583 5.047 11.260 188 H THR 24 H THR 24 -4.805 4.413 6.776 189 HA THR 24 HA THR 24 -7.012 3.341 5.530 190 HB THR 24 HB THR 24 -5.402 4.618 4.275 191 HG1 THR 24 HG1 THR 24 -5.597 3.461 2.462 192 HG21 THR 24 HG21 THR 24 -3.197 3.737 3.673 193 HG22 THR 24 HG22 THR 24 -3.490 2.315 4.674 194 HG23 THR 24 HG23 THR 24 -3.359 3.906 5.421 195 H ASP 25 H ASP 25 -7.638 1.382 4.808 196 HA ASP 25 HA ASP 25 -6.347 -0.914 6.079 197 HB2 ASP 25 HB2 ASP 25 -9.132 -0.588 4.936 198 HB3 ASP 25 HB3 ASP 25 -8.499 -2.097 5.584 199 H SER 26 H SER 26 -8.034 -0.113 3.043 200 HA SER 26 HA SER 26 -7.561 -0.601 0.883 201 HB2 SER 26 HB2 SER 26 -5.611 0.715 1.227 202 HB3 SER 26 HB3 SER 26 -4.812 -0.564 2.130 203 HG SER 26 HG SER 26 -5.495 -0.713 -0.641 204 H LEU 27 H LEU 27 -8.675 -2.644 2.045 205 HA LEU 27 HA LEU 27 -7.220 -4.991 1.045 206 HB2 LEU 27 HB2 LEU 27 -8.812 -4.796 3.603 207 HB3 LEU 27 HB3 LEU 27 -8.235 -6.301 2.913 208 HG LEU 27 HG LEU 27 -6.429 -4.044 3.796 209 HD11 LEU 27 HD11 LEU 27 -5.906 -5.445 5.721 210 HD12 LEU 27 HD12 LEU 27 -7.123 -6.614 5.209 211 HD13 LEU 27 HD13 LEU 27 -7.610 -4.992 5.707 212 HD21 LEU 27 HD21 LEU 27 -4.676 -5.764 3.632 213 HD22 LEU 27 HD22 LEU 27 -5.446 -5.451 2.077 214 HD23 LEU 27 HD23 LEU 27 -5.866 -6.897 2.993 215 H GLY 28 H GLY 28 -8.682 -6.817 0.527 216 HA2 GLY 28 HA2 GLY 28 -10.890 -5.708 -1.003 217 HA3 GLY 28 HA3 GLY 28 -10.211 -7.318 -1.155 218 H PHE 29 H PHE 29 -11.528 -5.676 1.702 219 HA PHE 29 HA PHE 29 -13.970 -7.164 1.518 220 HB2 PHE 29 HB2 PHE 29 -13.756 -8.219 3.763 221 HB3 PHE 29 HB3 PHE 29 -12.684 -8.905 2.559 222 HD1 PHE 29 HD1 PHE 29 -10.338 -8.840 2.824 223 HD2 PHE 29 HD2 PHE 29 -12.864 -6.787 5.565 224 HE1 PHE 29 HE1 PHE 29 -8.445 -8.585 4.373 225 HE2 PHE 29 HE2 PHE 29 -10.975 -6.522 7.117 226 HZ PHE 29 HZ PHE 29 -8.763 -7.423 6.523 227 H GLN 30 H GLN 30 -15.605 -6.243 2.587 228 HA GLN 30 HA GLN 30 -15.046 -3.769 4.096 229 HB2 GLN 30 HB2 GLN 30 -17.737 -4.746 3.145 230 HB3 GLN 30 HB3 GLN 30 -17.264 -3.110 3.557 231 HG2 GLN 30 HG2 GLN 30 -15.913 -2.973 1.587 232 HG3 GLN 30 HG3 GLN 30 -16.244 -4.651 1.192 233 HE21 GLN 30 HE21 GLN 30 -18.278 -5.236 0.465 234 HE22 GLN 30 HE22 GLN 30 -19.393 -4.072 -0.166 235 H HIS 31 H HIS 31 -17.371 -6.356 3.979 236 HA HIS 31 HA HIS 31 -17.378 -6.547 6.925 237 HB2 HIS 31 HB2 HIS 31 -19.625 -7.576 6.683 238 HB3 HIS 31 HB3 HIS 31 -19.573 -5.943 6.044 239 HD1 HIS 31 HD1 HIS 31 -20.039 -9.500 5.013 240 HD2 HIS 31 HD2 HIS 31 -19.918 -5.731 3.271 241 HE1 HIS 31 HE1 HIS 31 -20.924 -9.801 2.681 242 HE2 HIS 31 HE2 HIS 31 -20.870 -7.506 1.654 243 H LEU 32 H LEU 32 -15.849 -7.722 4.514 244 HA LEU 32 HA LEU 32 -14.938 -9.651 3.801 245 HB2 LEU 32 HB2 LEU 32 -13.656 -10.810 5.484 246 HB3 LEU 32 HB3 LEU 32 -13.570 -9.085 5.686 247 HG LEU 32 HG LEU 32 -15.475 -10.658 7.385 248 HD11 LEU 32 HD11 LEU 32 -13.666 -10.961 9.016 249 HD12 LEU 32 HD12 LEU 32 -12.511 -10.318 7.849 250 HD13 LEU 32 HD13 LEU 32 -13.341 -11.838 7.522 251 HD21 LEU 32 HD21 LEU 32 -14.967 -8.883 8.986 252 HD22 LEU 32 HD22 LEU 32 -15.525 -8.201 7.458 253 HD23 LEU 32 HD23 LEU 32 -13.807 -8.182 7.857 254 H THR 33 H THR 33 -15.112 -12.071 5.881 255 HA THR 33 HA THR 33 -16.169 -14.068 5.838 256 HB THR 33 HB THR 33 -18.529 -12.373 5.050 257 HG1 THR 33 HG1 THR 33 -17.273 -12.879 7.379 258 HG21 THR 33 HG21 THR 33 -18.468 -15.274 5.857 259 HG22 THR 33 HG22 THR 33 -18.894 -14.632 4.268 260 HG23 THR 33 HG23 THR 33 -19.925 -14.298 5.664 261 H ASN 34 H ASN 34 -18.194 -12.883 3.189 262 HA ASN 34 HA ASN 34 -17.220 -14.948 1.446 263 HB2 ASN 34 HB2 ASN 34 -19.073 -12.598 0.984 264 HB3 ASN 34 HB3 ASN 34 -18.656 -13.752 -0.276 265 HD21 ASN 34 HD21 ASN 34 -21.240 -13.137 0.884 266 HD22 ASN 34 HD22 ASN 34 -21.850 -14.621 1.530 267 H GLU 35 H GLU 35 -16.764 -11.541 1.894 268 HA GLU 35 HA GLU 35 -15.165 -11.126 -0.462 269 HB2 GLU 35 HB2 GLU 35 -14.961 -9.344 1.934 270 HB3 GLU 35 HB3 GLU 35 -14.990 -8.917 0.229 271 HG2 GLU 35 HG2 GLU 35 -17.385 -9.559 0.178 272 HG3 GLU 35 HG3 GLU 35 -17.317 -9.789 1.918 273 H GLU 36 H GLU 36 -14.695 -12.162 2.749 274 HA GLU 36 HA GLU 36 -11.979 -11.742 3.212 275 HB2 GLU 36 HB2 GLU 36 -13.560 -12.560 4.904 276 HB3 GLU 36 HB3 GLU 36 -13.718 -14.075 4.038 277 HG2 GLU 36 HG2 GLU 36 -11.338 -14.529 4.456 278 HG3 GLU 36 HG3 GLU 36 -11.245 -13.039 5.399 279 H ARG 37 H ARG 37 -13.622 -14.451 1.635 280 HA ARG 37 HA ARG 37 -11.282 -15.985 1.201 281 HB2 ARG 37 HB2 ARG 37 -13.938 -16.081 -0.234 282 HB3 ARG 37 HB3 ARG 37 -12.691 -17.316 -0.323 283 HG2 ARG 37 HG2 ARG 37 -12.932 -17.676 2.112 284 HG3 ARG 37 HG3 ARG 37 -14.258 -16.514 2.119 285 HD2 ARG 37 HD2 ARG 37 -14.165 -19.088 0.552 286 HD3 ARG 37 HD3 ARG 37 -15.082 -18.811 2.031 287 HE ARG 37 HE ARG 37 -15.696 -16.996 -0.135 288 HH11 ARG 37 HH11 ARG 37 -16.440 -20.060 1.373 289 HH12 ARG 37 HH12 ARG 37 -18.064 -20.107 0.773 290 HH21 ARG 37 HH21 ARG 37 -17.833 -17.060 -0.946 291 HH22 ARG 37 HH22 ARG 37 -18.857 -18.401 -0.546 292 H ASN 38 H ASN 38 -12.882 -13.474 -0.604 293 HA ASN 38 HA ASN 38 -11.531 -13.967 -3.071 294 HB2 ASN 38 HB2 ASN 38 -13.138 -11.643 -2.032 295 HB3 ASN 38 HB3 ASN 38 -12.349 -11.602 -3.603 296 HD21 ASN 38 HD21 ASN 38 -13.101 -12.925 -5.252 297 HD22 ASN 38 HD22 ASN 38 -14.653 -13.685 -5.179 298 H ASP 39 H ASP 39 -11.059 -11.678 -0.397 299 HA ASP 39 HA ASP 39 -8.854 -10.349 -1.582 300 HB2 ASP 39 HB2 ASP 39 -10.112 -9.338 0.265 301 HB3 ASP 39 HB3 ASP 39 -9.559 -10.613 1.348 302 H MET 40 H MET 40 -9.166 -13.228 0.378 303 HA MET 40 HA MET 40 -6.445 -13.609 0.985 304 HB2 MET 40 HB2 MET 40 -8.295 -14.870 2.053 305 HB3 MET 40 HB3 MET 40 -8.569 -15.716 0.538 306 HG2 MET 40 HG2 MET 40 -7.306 -17.091 2.079 307 HG3 MET 40 HG3 MET 40 -6.334 -16.683 0.666 308 HE1 MET 40 HE1 MET 40 -5.124 -17.864 3.352 309 HE2 MET 40 HE2 MET 40 -3.699 -16.850 3.576 310 HE3 MET 40 HE3 MET 40 -4.119 -17.439 1.966 311 H ILE 41 H ILE 41 -8.344 -14.219 -1.864 312 HA ILE 41 HA ILE 41 -6.291 -15.689 -3.239 313 HB ILE 41 HB ILE 41 -8.723 -14.271 -4.354 314 HG12 ILE 41 HG12 ILE 41 -8.312 -17.201 -3.717 315 HG13 ILE 41 HG13 ILE 41 -9.257 -16.081 -2.742 316 HG21 ILE 41 HG21 ILE 41 -7.015 -14.618 -6.053 317 HG22 ILE 41 HG22 ILE 41 -8.391 -15.685 -6.331 318 HG23 ILE 41 HG23 ILE 41 -6.909 -16.324 -5.620 319 HD11 ILE 41 HD11 ILE 41 -10.787 -15.750 -4.619 320 HD12 ILE 41 HD12 ILE 41 -10.692 -17.443 -4.138 321 HD13 ILE 41 HD13 ILE 41 -9.844 -16.889 -5.581 322 H SER 42 H SER 42 -7.761 -12.497 -3.845 323 HA SER 42 HA SER 42 -5.435 -10.984 -3.933 324 HB2 SER 42 HB2 SER 42 -5.138 -10.734 -6.414 325 HB3 SER 42 HB3 SER 42 -4.686 -12.322 -5.800 326 HG SER 42 HG SER 42 -6.087 -13.131 -7.114 327 H TYR 43 H TYR 43 -8.483 -11.565 -5.595 328 HA TYR 43 HA TYR 43 -8.983 -9.081 -6.650 329 HB2 TYR 43 HB2 TYR 43 -10.345 -10.875 -7.336 330 HB3 TYR 43 HB3 TYR 43 -10.828 -11.247 -5.687 331 HD1 TYR 43 HD1 TYR 43 -10.943 -8.233 -7.926 332 HD2 TYR 43 HD2 TYR 43 -13.041 -10.778 -5.239 333 HE1 TYR 43 HE1 TYR 43 -12.972 -6.877 -8.228 334 HE2 TYR 43 HE2 TYR 43 -15.069 -9.424 -5.527 335 HH TYR 43 HH TYR 43 -15.414 -7.130 -7.997 336 H LYS 44 H LYS 44 -9.160 -7.194 -5.809 337 HA LYS 44 HA LYS 44 -10.149 -6.798 -3.090 338 HB2 LYS 44 HB2 LYS 44 -9.076 -4.832 -5.131 339 HB3 LYS 44 HB3 LYS 44 -9.448 -4.468 -3.455 340 HG2 LYS 44 HG2 LYS 44 -7.441 -6.570 -4.167 341 HG3 LYS 44 HG3 LYS 44 -7.001 -4.863 -4.111 342 HD2 LYS 44 HD2 LYS 44 -7.623 -4.718 -1.799 343 HD3 LYS 44 HD3 LYS 44 -8.295 -6.348 -1.830 344 HE2 LYS 44 HE2 LYS 44 -5.409 -5.813 -2.455 345 HE3 LYS 44 HE3 LYS 44 -5.972 -6.030 -0.799 346 HZ1 LYS 44 HZ1 LYS 44 -5.131 -8.086 -1.842 347 HZ2 LYS 44 HZ2 LYS 44 -6.393 -8.016 -2.969 348 HZ3 LYS 44 HZ3 LYS 44 -6.738 -8.212 -1.318 349 H GLU 45 H GLU 45 -12.247 -6.354 -2.760 350 HA GLU 45 HA GLU 45 -14.115 -6.439 -4.772 351 HB2 GLU 45 HB2 GLU 45 -15.691 -5.493 -3.041 352 HB3 GLU 45 HB3 GLU 45 -14.950 -7.067 -2.797 353 HG2 GLU 45 HG2 GLU 45 -14.743 -6.096 -0.811 354 HG3 GLU 45 HG3 GLU 45 -13.175 -5.778 -1.492 355 H ASN 46 H ASN 46 -12.485 -3.687 -3.481 356 HA ASN 46 HA ASN 46 -14.264 -1.838 -4.869 357 HB2 ASN 46 HB2 ASN 46 -13.593 -1.254 -2.594 358 HB3 ASN 46 HB3 ASN 46 -11.897 -1.362 -3.040 359 HD21 ASN 46 HD21 ASN 46 -14.851 0.460 -3.468 360 HD22 ASN 46 HD22 ASN 46 -14.092 1.934 -3.963 361 H GLY 47 H GLY 47 -11.662 -3.700 -5.636 362 HA2 GLY 47 HA2 GLY 47 -10.153 -3.639 -7.382 363 HA3 GLY 47 HA3 GLY 47 -10.898 -2.122 -7.906 364 H ASP 48 H ASP 48 -9.721 -2.609 -4.678 365 HA ASP 48 HA ASP 48 -8.413 -0.162 -4.569 366 HB2 ASP 48 HB2 ASP 48 -9.192 -1.605 -2.623 367 HB3 ASP 48 HB3 ASP 48 -7.700 -2.518 -2.826 368 H VAL 49 H VAL 49 -6.428 0.507 -4.925 369 HA VAL 49 HA VAL 49 -4.643 -1.235 -6.401 370 HB VAL 49 HB VAL 49 -3.313 1.027 -6.552 371 HG11 VAL 49 HG11 VAL 49 -5.922 0.550 -7.987 372 HG12 VAL 49 HG12 VAL 49 -4.347 -0.107 -8.435 373 HG13 VAL 49 HG13 VAL 49 -4.639 1.631 -8.531 374 HG21 VAL 49 HG21 VAL 49 -4.689 3.010 -6.444 375 HG22 VAL 49 HG22 VAL 49 -4.765 2.198 -4.881 376 HG23 VAL 49 HG23 VAL 49 -6.103 2.062 -6.022 377 H HIS 50 H HIS 50 -3.679 -2.546 -4.934 378 HA HIS 50 HA HIS 50 -2.203 -1.274 -2.722 379 HB2 HIS 50 HB2 HIS 50 -4.161 -2.802 -2.143 380 HB3 HIS 50 HB3 HIS 50 -3.210 -4.123 -2.804 381 HD1 HIS 50 HD1 HIS 50 -4.051 -2.704 0.293 382 HD2 HIS 50 HD2 HIS 50 -0.496 -4.132 -1.332 383 HE1 HIS 50 HE1 HIS 50 -2.582 -3.261 2.253 384 HE2 HIS 50 HE2 HIS 50 -0.481 -4.218 1.256 385 H VAL 51 H VAL 51 -0.105 -1.181 -3.296 386 HA VAL 51 HA VAL 51 1.069 -3.554 -4.584 387 HB VAL 51 HB VAL 51 2.626 -1.935 -5.772 388 HG11 VAL 51 HG11 VAL 51 0.877 -3.121 -6.968 389 HG12 VAL 51 HG12 VAL 51 1.013 -1.464 -7.566 390 HG13 VAL 51 HG13 VAL 51 -0.303 -1.905 -6.476 391 HG21 VAL 51 HG21 VAL 51 1.709 0.311 -6.176 392 HG22 VAL 51 HG22 VAL 51 2.192 0.045 -4.500 393 HG23 VAL 51 HG23 VAL 51 0.484 0.001 -4.944 394 H LEU 52 H LEU 52 3.073 -4.159 -3.969 395 HA LEU 52 HA LEU 52 4.239 -2.780 -1.659 396 HB2 LEU 52 HB2 LEU 52 4.830 -5.500 -2.849 397 HB3 LEU 52 HB3 LEU 52 5.658 -4.820 -1.462 398 HG LEU 52 HG LEU 52 4.113 -6.340 -0.572 399 HD11 LEU 52 HD11 LEU 52 2.576 -4.993 0.714 400 HD12 LEU 52 HD12 LEU 52 2.779 -3.650 -0.410 401 HD13 LEU 52 HD13 LEU 52 4.139 -4.187 0.576 402 HD21 LEU 52 HD21 LEU 52 2.004 -5.137 -2.356 403 HD22 LEU 52 HD22 LEU 52 1.734 -6.393 -1.147 404 HD23 LEU 52 HD23 LEU 52 2.757 -6.720 -2.544 405 H THR 53 H THR 53 6.004 -1.530 -1.933 406 HA THR 53 HA THR 53 7.648 -1.927 -4.321 407 HB THR 53 HB THR 53 5.801 -0.356 -4.925 408 HG1 THR 53 HG1 THR 53 7.744 -0.142 -6.054 409 HG21 THR 53 HG21 THR 53 5.841 1.917 -4.010 410 HG22 THR 53 HG22 THR 53 7.118 1.441 -2.891 411 HG23 THR 53 HG23 THR 53 5.514 0.722 -2.754 412 H ILE 54 H ILE 54 9.221 0.219 -4.264 413 HA ILE 54 HA ILE 54 10.781 -0.154 -1.839 414 HB ILE 54 HB ILE 54 11.295 0.899 -4.580 415 HG12 ILE 54 HG12 ILE 54 13.087 -0.724 -2.798 416 HG13 ILE 54 HG13 ILE 54 11.777 -1.446 -3.709 417 HG21 ILE 54 HG21 ILE 54 13.067 1.602 -2.251 418 HG22 ILE 54 HG22 ILE 54 12.072 2.735 -3.165 419 HG23 ILE 54 HG23 ILE 54 13.411 1.902 -3.954 420 HD11 ILE 54 HD11 ILE 54 14.097 0.073 -4.856 421 HD12 ILE 54 HD12 ILE 54 12.780 -0.643 -5.785 422 HD13 ILE 54 HD13 ILE 54 13.883 -1.677 -4.877 423 H CYS 55 H CYS 55 10.808 1.261 -0.198 424 HA CYS 55 HA CYS 55 9.507 3.820 -0.465 425 HB2 CYS 55 HB2 CYS 55 9.834 4.114 1.886 426 HB3 CYS 55 HB3 CYS 55 9.356 2.440 1.636 427 H GLU 56 H GLU 56 10.703 5.799 0.414 428 HA GLU 56 HA GLU 56 12.747 6.428 -1.360 429 HB2 GLU 56 HB2 GLU 56 12.118 7.720 1.301 430 HB3 GLU 56 HB3 GLU 56 13.071 8.440 0.017 431 HG2 GLU 56 HG2 GLU 56 10.983 9.431 -0.187 432 HG3 GLU 56 HG3 GLU 56 11.002 8.198 -1.439 433 H ASP 57 H ASP 57 12.943 5.502 2.060 434 HA ASP 57 HA ASP 57 15.722 5.754 2.347 435 HB2 ASP 57 HB2 ASP 57 14.308 5.544 4.292 436 HB3 ASP 57 HB3 ASP 57 13.771 3.946 3.781 437 H CYS 58 H CYS 58 13.739 2.991 1.336 438 HA CYS 58 HA CYS 58 15.822 1.127 1.103 439 HB2 CYS 58 HB2 CYS 58 13.105 1.381 -0.101 440 HB3 CYS 58 HB3 CYS 58 14.223 0.213 -0.796 441 H GLN 59 H GLN 59 14.338 3.167 -1.415 442 HA GLN 59 HA GLN 59 16.014 2.606 -3.534 443 HB2 GLN 59 HB2 GLN 59 13.925 4.259 -3.177 444 HB3 GLN 59 HB3 GLN 59 15.216 5.449 -3.147 445 HG2 GLN 59 HG2 GLN 59 14.721 3.488 -5.379 446 HG3 GLN 59 HG3 GLN 59 14.200 5.167 -5.365 447 HE21 GLN 59 HE21 GLN 59 15.720 6.799 -5.530 448 HE22 GLN 59 HE22 GLN 59 17.307 6.506 -6.150 449 H GLU 60 H GLU 60 16.525 4.800 -0.844 450 HA GLU 60 HA GLU 60 18.754 6.190 -1.725 451 HB2 GLU 60 HB2 GLU 60 17.456 6.656 0.292 452 HB3 GLU 60 HB3 GLU 60 18.078 5.239 1.057 453 HG2 GLU 60 HG2 GLU 60 19.239 7.062 1.966 454 HG3 GLU 60 HG3 GLU 60 20.324 6.247 0.862 455 H ALA 61 H ALA 61 18.628 3.365 0.342 456 HA ALA 61 HA ALA 61 21.421 2.891 0.376 457 HB1 ALA 61 HB1 ALA 61 20.808 0.764 1.420 458 HB2 ALA 61 HB2 ALA 61 19.122 1.022 0.976 459 HB3 ALA 61 HB3 ALA 61 19.901 2.096 2.136 460 H LEU 62 H LEU 62 18.806 2.223 -1.695 461 HA LEU 62 HA LEU 62 19.777 -0.155 -2.898 462 HB2 LEU 62 HB2 LEU 62 17.404 1.034 -2.742 463 HB3 LEU 62 HB3 LEU 62 17.905 1.665 -4.301 464 HG LEU 62 HG LEU 62 18.494 -1.026 -4.367 465 HD11 LEU 62 HD11 LEU 62 17.137 -1.397 -2.397 466 HD12 LEU 62 HD12 LEU 62 16.404 -2.148 -3.815 467 HD13 LEU 62 HD13 LEU 62 15.763 -0.628 -3.190 468 HD21 LEU 62 HD21 LEU 62 16.623 -1.140 -6.004 469 HD22 LEU 62 HD22 LEU 62 17.734 0.202 -6.280 470 HD23 LEU 62 HD23 LEU 62 16.171 0.492 -5.516 471 H ASP 63 H ASP 63 19.453 3.168 -4.136 472 HA ASP 63 HA ASP 63 21.010 2.610 -6.466 473 HB2 ASP 63 HB2 ASP 63 19.208 4.285 -6.444 474 HB3 ASP 63 HB3 ASP 63 20.128 5.273 -5.319 475 H ARG 64 H ARG 64 21.680 3.757 -3.276 476 HA ARG 64 HA ARG 64 23.609 3.895 -2.107 477 HB2 ARG 64 HB2 ARG 64 24.865 2.821 -4.629 478 HB3 ARG 64 HB3 ARG 64 25.721 3.039 -3.108 479 HG2 ARG 64 HG2 ARG 64 24.224 1.467 -2.018 480 HG3 ARG 64 HG3 ARG 64 23.319 1.274 -3.519 481 HD2 ARG 64 HD2 ARG 64 25.272 0.329 -4.603 482 HD3 ARG 64 HD3 ARG 64 26.230 0.589 -3.146 483 HE ARG 64 HE ARG 64 24.013 -0.952 -2.445 484 HH11 ARG 64 HH11 ARG 64 26.886 -1.228 -4.411 485 HH12 ARG 64 HH12 ARG 64 27.021 -2.943 -4.206 486 HH21 ARG 64 HH21 ARG 64 24.184 -3.203 -2.160 487 HH22 ARG 64 HH22 ARG 64 25.481 -4.071 -2.917 488 H ASN 65 H ASN 65 22.862 5.815 -4.614 489 HA ASN 65 HA ASN 65 25.153 7.590 -4.275 490 HB2 ASN 65 HB2 ASN 65 22.724 7.653 -6.058 491 HB3 ASN 65 HB3 ASN 65 23.743 9.072 -5.846 492 HD21 ASN 65 HD21 ASN 65 23.184 7.386 -8.188 493 HD22 ASN 65 HD22 ASN 65 24.735 6.890 -8.771 494 HA PRO 66 HA PRO 66 23.272 9.298 -0.617 495 HB2 PRO 66 HB2 PRO 66 24.933 11.621 -1.493 496 HB3 PRO 66 HB3 PRO 66 24.797 10.874 0.104 497 HG2 PRO 66 HG2 PRO 66 26.912 10.397 -1.435 498 HG3 PRO 66 HG3 PRO 66 26.191 9.107 -0.457 499 HD2 PRO 66 HD2 PRO 66 26.039 9.568 -3.393 500 HD3 PRO 66 HD3 PRO 66 26.035 8.045 -2.484 501 H HIS 67 H HIS 67 21.497 10.443 -0.273 502 HA HIS 67 HA HIS 67 19.702 11.776 -0.572 503 HB2 HIS 67 HB2 HIS 67 21.538 13.204 -2.490 504 HB3 HIS 67 HB3 HIS 67 19.868 13.700 -2.242 505 HD1 HIS 67 HD1 HIS 67 19.596 15.462 -0.539 506 HD2 HIS 67 HD2 HIS 67 22.970 13.139 0.166 507 HE1 HIS 67 HE1 HIS 67 20.716 16.483 1.467 508 HE2 HIS 67 HE2 HIS 67 22.650 14.958 1.975 509 H TYR 68 H TYR 68 18.727 9.866 -1.277 510 HA TYR 68 HA TYR 68 18.441 8.897 -3.829 511 HB2 TYR 68 HB2 TYR 68 16.290 7.975 -3.085 512 HB3 TYR 68 HB3 TYR 68 17.489 7.843 -1.810 513 HD1 TYR 68 HD1 TYR 68 17.100 8.780 0.320 514 HD2 TYR 68 HD2 TYR 68 14.583 9.880 -2.925 515 HE1 TYR 68 HE1 TYR 68 15.603 9.943 1.884 516 HE2 TYR 68 HE2 TYR 68 13.081 11.050 -1.372 517 HH TYR 68 HH TYR 68 12.497 11.072 0.967 518 H HIS 69 H HIS 69 16.560 9.088 -5.312 519 HA HIS 69 HA HIS 69 15.197 10.255 -6.707 520 HB2 HIS 69 HB2 HIS 69 13.965 10.773 -4.595 521 HB3 HIS 69 HB3 HIS 69 14.934 12.226 -4.419 522 HD1 HIS 69 HD1 HIS 69 12.099 10.779 -6.379 523 HD2 HIS 69 HD2 HIS 69 14.157 14.371 -6.024 524 HE1 HIS 69 HE1 HIS 69 10.689 12.487 -7.564 525 HE2 HIS 69 HE2 HIS 69 11.864 14.677 -7.173 526 H GLU 70 H GLU 70 17.421 10.481 -7.658 527 HA GLU 70 HA GLU 70 18.848 11.654 -8.955 528 HB2 GLU 70 HB2 GLU 70 16.988 13.948 -8.337 529 HB3 GLU 70 HB3 GLU 70 18.343 14.061 -9.453 530 HG2 GLU 70 HG2 GLU 70 17.350 12.320 -10.841 531 HG3 GLU 70 HG3 GLU 70 15.998 12.195 -9.718 532 H TYR 71 H TYR 71 20.818 11.818 -8.215 533 HA TYR 71 HA TYR 71 21.431 12.988 -5.676 534 HB2 TYR 71 HB2 TYR 71 22.626 11.011 -6.691 535 HB3 TYR 71 HB3 TYR 71 23.360 12.119 -7.841 536 HD1 TYR 71 HD1 TYR 71 25.306 10.700 -6.584 537 HD2 TYR 71 HD2 TYR 71 23.129 13.944 -4.905 538 HE1 TYR 71 HE1 TYR 71 27.137 11.100 -4.993 539 HE2 TYR 71 HE2 TYR 71 24.952 14.351 -3.312 540 HH TYR 71 HH TYR 71 28.018 12.968 -3.636 541 H HIS 72 H HIS 72 20.933 15.141 -5.737 542 HA HIS 72 HA HIS 72 21.649 16.935 -7.786 543 HB2 HIS 72 HB2 HIS 72 19.909 17.328 -6.003 544 HB3 HIS 72 HB3 HIS 72 21.224 17.610 -4.870 545 HD1 HIS 72 HD1 HIS 72 19.382 19.182 -7.703 546 HD2 HIS 72 HD2 HIS 72 22.591 20.053 -5.209 547 HE1 HIS 72 HE1 HIS 72 19.849 21.629 -8.031 548 HE2 HIS 72 HE2 HIS 72 21.914 22.079 -6.666 549 H THR 73 H THR 73 23.739 16.979 -8.390 550 HA THR 73 HA THR 73 25.782 17.319 -6.307 551 HB THR 73 HB THR 73 26.184 16.583 -9.213 552 HG1 THR 73 HG1 THR 73 25.011 14.991 -7.924 553 HG21 THR 73 HG21 THR 73 28.040 16.450 -6.831 554 HG22 THR 73 HG22 THR 73 28.149 17.598 -8.166 555 HG23 THR 73 HG23 THR 73 28.413 15.878 -8.457 Start of MODEL 19 1 H1 GLN -1 H1 GLN -1 1.333 7.500 -8.232 2 H2 GLN -1 H2 GLN -1 2.752 6.970 -7.482 3 H3 GLN -1 H3 GLN -1 2.808 7.595 -9.045 4 HA GLN -1 HA GLN -1 3.618 9.168 -7.373 5 HB2 GLN -1 HB2 GLN -1 1.095 9.926 -8.853 6 HB3 GLN -1 HB3 GLN -1 2.217 11.077 -8.145 7 HG2 GLN -1 HG2 GLN -1 3.983 10.277 -9.619 8 HG3 GLN -1 HG3 GLN -1 2.871 9.106 -10.321 9 HE21 GLN -1 HE21 GLN -1 4.350 11.309 -11.555 10 HE22 GLN -1 HE22 GLN -1 3.159 12.304 -12.322 11 H SER 0 H SER 0 2.701 7.634 -5.480 12 HA SER 0 HA SER 0 1.870 7.606 -3.382 13 HB2 SER 0 HB2 SER 0 1.129 10.501 -3.843 14 HB3 SER 0 HB3 SER 0 1.283 9.690 -2.284 15 HG SER 0 HG SER 0 3.534 9.300 -3.658 16 H MET 1 H MET 1 -0.366 9.539 -5.377 17 HA MET 1 HA MET 1 -2.645 8.294 -4.073 18 HB2 MET 1 HB2 MET 1 -4.002 9.861 -5.355 19 HB3 MET 1 HB3 MET 1 -2.696 10.708 -4.541 20 HG2 MET 1 HG2 MET 1 -1.432 10.751 -6.640 21 HG3 MET 1 HG3 MET 1 -2.769 9.936 -7.446 22 HE1 MET 1 HE1 MET 1 -1.549 13.198 -5.669 23 HE2 MET 1 HE2 MET 1 -2.944 12.762 -4.683 24 HE3 MET 1 HE3 MET 1 -2.998 14.202 -5.697 25 H ALA 2 H ALA 2 -4.512 7.812 -5.729 26 HA ALA 2 HA ALA 2 -5.387 6.570 -7.401 27 HB1 ALA 2 HB1 ALA 2 -2.637 6.437 -8.606 28 HB2 ALA 2 HB2 ALA 2 -3.849 7.668 -8.960 29 HB3 ALA 2 HB3 ALA 2 -4.148 5.983 -9.392 30 H LEU 3 H LEU 3 -2.227 5.321 -6.493 31 HA LEU 3 HA LEU 3 -3.529 2.733 -5.930 32 HB2 LEU 3 HB2 LEU 3 -0.740 3.264 -6.933 33 HB3 LEU 3 HB3 LEU 3 -1.219 1.741 -6.257 34 HG LEU 3 HG LEU 3 -2.986 1.643 -8.084 35 HD11 LEU 3 HD11 LEU 3 -1.208 3.771 -9.216 36 HD12 LEU 3 HD12 LEU 3 -2.865 3.997 -8.666 37 HD13 LEU 3 HD13 LEU 3 -2.530 2.965 -10.059 38 HD21 LEU 3 HD21 LEU 3 -1.014 0.235 -8.109 39 HD22 LEU 3 HD22 LEU 3 -0.058 1.548 -8.795 40 HD23 LEU 3 HD23 LEU 3 -1.358 0.821 -9.737 41 H HIS 4 H HIS 4 -2.721 1.570 -4.078 42 HA HIS 4 HA HIS 4 -1.659 3.396 -2.062 43 HB2 HIS 4 HB2 HIS 4 -2.800 0.613 -1.795 44 HB3 HIS 4 HB3 HIS 4 -2.170 1.548 -0.454 45 HD1 HIS 4 HD1 HIS 4 -5.266 0.672 -1.879 46 HD2 HIS 4 HD2 HIS 4 -3.683 4.224 -0.401 47 HE1 HIS 4 HE1 HIS 4 -7.246 2.131 -1.358 48 HE2 HIS 4 HE2 HIS 4 -6.250 4.351 -0.704 49 H TYR 5 H TYR 5 0.354 3.361 -1.557 50 HA TYR 5 HA TYR 5 2.071 1.329 -2.769 51 HB2 TYR 5 HB2 TYR 5 2.582 4.143 -1.823 52 HB3 TYR 5 HB3 TYR 5 3.895 3.018 -2.180 53 HD1 TYR 5 HD1 TYR 5 4.032 5.401 -3.564 54 HD2 TYR 5 HD2 TYR 5 1.605 2.051 -4.481 55 HE1 TYR 5 HE1 TYR 5 4.017 6.064 -5.909 56 HE2 TYR 5 HE2 TYR 5 1.573 2.687 -6.845 57 HH TYR 5 HH TYR 5 1.987 4.473 -8.277 58 H TYR 6 H TYR 6 3.123 -0.084 -1.577 59 HA TYR 6 HA TYR 6 3.546 0.565 1.248 60 HB2 TYR 6 HB2 TYR 6 2.597 -2.038 0.069 61 HB3 TYR 6 HB3 TYR 6 3.258 -1.908 1.699 62 HD1 TYR 6 HD1 TYR 6 0.324 -1.521 -0.339 63 HD2 TYR 6 HD2 TYR 6 2.173 -0.246 3.299 64 HE1 TYR 6 HE1 TYR 6 -1.862 -0.800 0.512 65 HE2 TYR 6 HE2 TYR 6 -0.030 0.471 4.148 66 HH TYR 6 HH TYR 6 -2.201 1.165 3.260 67 H CYS 7 H CYS 7 5.457 0.220 2.038 68 HA CYS 7 HA CYS 7 7.621 -0.058 0.206 69 HB2 CYS 7 HB2 CYS 7 8.088 1.532 1.809 70 HB3 CYS 7 HB3 CYS 7 7.184 0.673 3.020 71 H ARG 8 H ARG 8 8.299 -1.957 -0.447 72 HA ARG 8 HA ARG 8 8.340 -4.274 1.149 73 HB2 ARG 8 HB2 ARG 8 9.808 -5.210 -0.485 74 HB3 ARG 8 HB3 ARG 8 8.640 -4.217 -1.340 75 HG2 ARG 8 HG2 ARG 8 10.284 -2.445 -1.571 76 HG3 ARG 8 HG3 ARG 8 11.460 -3.408 -0.668 77 HD2 ARG 8 HD2 ARG 8 11.122 -5.196 -2.439 78 HD3 ARG 8 HD3 ARG 8 10.272 -3.964 -3.370 79 HE ARG 8 HE ARG 8 12.824 -3.047 -2.516 80 HH11 ARG 8 HH11 ARG 8 11.223 -5.056 -4.886 81 HH12 ARG 8 HH12 ARG 8 12.502 -4.932 -6.049 82 HH21 ARG 8 HH21 ARG 8 14.525 -2.896 -4.029 83 HH22 ARG 8 HH22 ARG 8 14.393 -3.696 -5.563 84 H HIS 9 H HIS 9 9.564 -4.731 2.803 85 HA HIS 9 HA HIS 9 11.563 -5.256 3.827 86 HB2 HIS 9 HB2 HIS 9 12.819 -4.596 1.797 87 HB3 HIS 9 HB3 HIS 9 12.813 -2.932 2.365 88 HD1 HIS 9 HD1 HIS 9 14.736 -2.256 3.809 89 HD2 HIS 9 HD2 HIS 9 14.289 -6.387 3.607 90 HE1 HIS 9 HE1 HIS 9 16.735 -3.211 4.989 91 HE2 HIS 9 HE2 HIS 9 16.505 -5.707 4.760 92 H CYS 10 H CYS 10 11.082 -1.669 3.593 93 HA CYS 10 HA CYS 10 12.124 -1.490 6.305 94 HB2 CYS 10 HB2 CYS 10 10.982 0.945 5.055 95 HB3 CYS 10 HB3 CYS 10 12.455 0.746 5.984 96 H GLY 11 H GLY 11 9.039 -1.461 4.698 97 HA2 GLY 11 HA2 GLY 11 7.009 -1.969 5.706 98 HA3 GLY 11 HA3 GLY 11 7.770 -1.757 7.286 99 H VAL 12 H VAL 12 7.866 0.686 4.764 100 HA VAL 12 HA VAL 12 6.106 2.319 6.385 101 HB VAL 12 HB VAL 12 8.148 3.434 6.217 102 HG11 VAL 12 HG11 VAL 12 9.250 3.936 4.075 103 HG12 VAL 12 HG12 VAL 12 8.038 2.954 3.249 104 HG13 VAL 12 HG13 VAL 12 9.151 2.205 4.396 105 HG21 VAL 12 HG21 VAL 12 6.251 4.586 4.202 106 HG22 VAL 12 HG22 VAL 12 7.616 5.451 4.905 107 HG23 VAL 12 HG23 VAL 12 6.291 4.911 5.933 108 H LYS 13 H LYS 13 4.352 3.326 5.610 109 HA LYS 13 HA LYS 13 3.290 2.195 3.142 110 HB2 LYS 13 HB2 LYS 13 1.905 4.021 5.105 111 HB3 LYS 13 HB3 LYS 13 1.155 3.011 3.880 112 HG2 LYS 13 HG2 LYS 13 1.823 1.013 5.064 113 HG3 LYS 13 HG3 LYS 13 2.683 1.981 6.261 114 HD2 LYS 13 HD2 LYS 13 -0.275 2.210 5.729 115 HD3 LYS 13 HD3 LYS 13 0.418 1.177 6.979 116 HE2 LYS 13 HE2 LYS 13 0.872 4.154 6.804 117 HE3 LYS 13 HE3 LYS 13 -0.381 3.403 7.790 118 HZ1 LYS 13 HZ1 LYS 13 1.326 2.230 9.019 119 HZ2 LYS 13 HZ2 LYS 13 1.605 3.897 9.077 120 HZ3 LYS 13 HZ3 LYS 13 2.537 2.921 8.060 121 H VAL 14 H VAL 14 4.270 3.293 1.479 122 HA VAL 14 HA VAL 14 4.700 6.114 1.517 123 HB VAL 14 HB VAL 14 4.722 5.310 -1.189 124 HG11 VAL 14 HG11 VAL 14 6.974 5.696 0.774 125 HG12 VAL 14 HG12 VAL 14 6.194 6.948 -0.193 126 HG13 VAL 14 HG13 VAL 14 7.136 5.684 -0.982 127 HG21 VAL 14 HG21 VAL 14 4.718 2.965 -0.386 128 HG22 VAL 14 HG22 VAL 14 6.205 3.302 0.504 129 HG23 VAL 14 HG23 VAL 14 6.183 3.410 -1.258 130 H GLY 15 H GLY 15 2.050 4.116 0.620 131 HA2 GLY 15 HA2 GLY 15 0.666 6.519 -0.386 132 HA3 GLY 15 HA3 GLY 15 0.482 4.967 -1.188 133 H SER 16 H SER 16 0.448 6.020 2.200 134 HA SER 16 HA SER 16 -2.387 5.422 2.380 135 HB2 SER 16 HB2 SER 16 -0.413 4.131 4.280 136 HB3 SER 16 HB3 SER 16 -2.169 3.977 4.325 137 HG SER 16 HG SER 16 -1.428 3.315 1.895 138 H LEU 17 H LEU 17 -1.775 7.832 2.339 139 HA LEU 17 HA LEU 17 -1.291 8.778 5.075 140 HB2 LEU 17 HB2 LEU 17 -0.501 10.894 4.082 141 HB3 LEU 17 HB3 LEU 17 0.500 9.526 3.644 142 HG LEU 17 HG LEU 17 -1.650 10.454 1.766 143 HD11 LEU 17 HD11 LEU 17 1.124 11.617 1.985 144 HD12 LEU 17 HD12 LEU 17 -0.379 12.457 2.365 145 HD13 LEU 17 HD13 LEU 17 -0.044 11.954 0.708 146 HD21 LEU 17 HD21 LEU 17 -0.460 8.338 1.331 147 HD22 LEU 17 HD22 LEU 17 1.068 9.217 1.328 148 HD23 LEU 17 HD23 LEU 17 -0.144 9.551 0.092 149 H GLU 18 H GLU 18 -3.335 8.675 2.387 150 HA GLU 18 HA GLU 18 -5.320 10.215 3.878 151 HB2 GLU 18 HB2 GLU 18 -6.316 10.811 1.629 152 HB3 GLU 18 HB3 GLU 18 -4.809 11.616 2.032 153 HG2 GLU 18 HG2 GLU 18 -3.579 10.157 0.584 154 HG3 GLU 18 HG3 GLU 18 -5.012 9.172 0.289 155 H SER 19 H SER 19 -5.020 7.599 4.322 156 HA SER 19 HA SER 19 -7.012 6.199 2.683 157 HB2 SER 19 HB2 SER 19 -4.959 5.196 4.656 158 HB3 SER 19 HB3 SER 19 -6.152 4.189 3.852 159 HG SER 19 HG SER 19 -5.171 5.285 1.858 160 H SER 20 H SER 20 -7.318 8.164 4.981 161 HA SER 20 HA SER 20 -8.540 6.702 7.097 162 HB2 SER 20 HB2 SER 20 -8.672 9.649 6.438 163 HB3 SER 20 HB3 SER 20 -9.231 8.916 7.943 164 HG SER 20 HG SER 20 -6.660 8.229 7.261 165 H MET 21 H MET 21 -9.723 8.318 4.206 166 HA MET 21 HA MET 21 -12.480 7.676 4.965 167 HB2 MET 21 HB2 MET 21 -11.480 9.312 2.629 168 HB3 MET 21 HB3 MET 21 -13.145 9.179 3.176 169 HG2 MET 21 HG2 MET 21 -10.885 10.379 4.754 170 HG3 MET 21 HG3 MET 21 -12.093 11.280 3.847 171 HE1 MET 21 HE1 MET 21 -11.417 11.701 7.001 172 HE2 MET 21 HE2 MET 21 -13.062 11.979 7.577 173 HE3 MET 21 HE3 MET 21 -12.533 12.675 6.046 174 H VAL 22 H VAL 22 -9.956 6.335 3.279 175 HA VAL 22 HA VAL 22 -11.774 4.625 1.774 176 HB VAL 22 HB VAL 22 -11.123 6.296 0.141 177 HG11 VAL 22 HG11 VAL 22 -8.275 5.556 0.804 178 HG12 VAL 22 HG12 VAL 22 -9.068 7.095 1.146 179 HG13 VAL 22 HG13 VAL 22 -8.779 6.603 -0.522 180 HG21 VAL 22 HG21 VAL 22 -9.675 3.689 -0.308 181 HG22 VAL 22 HG22 VAL 22 -10.131 4.842 -1.559 182 HG23 VAL 22 HG23 VAL 22 -11.378 4.005 -0.638 183 H SER 23 H SER 23 -11.242 2.557 1.940 184 HA SER 23 HA SER 23 -8.499 1.781 2.525 185 HB2 SER 23 HB2 SER 23 -9.211 0.414 4.457 186 HB3 SER 23 HB3 SER 23 -9.521 2.127 4.730 187 HG SER 23 HG SER 23 -11.367 1.100 5.317 188 H THR 24 H THR 24 -9.092 -0.922 3.136 189 HA THR 24 HA THR 24 -9.745 -1.871 0.511 190 HB THR 24 HB THR 24 -9.235 -3.551 2.963 191 HG1 THR 24 HG1 THR 24 -7.028 -3.403 1.590 192 HG21 THR 24 HG21 THR 24 -10.086 -4.743 0.987 193 HG22 THR 24 HG22 THR 24 -8.413 -5.182 1.327 194 HG23 THR 24 HG23 THR 24 -8.781 -4.063 0.016 195 H ASP 25 H ASP 25 -11.315 -1.625 3.594 196 HA ASP 25 HA ASP 25 -13.463 -3.437 2.784 197 HB2 ASP 25 HB2 ASP 25 -12.547 -3.507 5.120 198 HB3 ASP 25 HB3 ASP 25 -13.175 -1.881 5.368 199 H SER 26 H SER 26 -12.795 -0.087 3.464 200 HA SER 26 HA SER 26 -15.401 0.928 3.109 201 HB2 SER 26 HB2 SER 26 -13.504 2.151 4.172 202 HB3 SER 26 HB3 SER 26 -12.750 2.286 2.587 203 HG SER 26 HG SER 26 -14.083 4.129 3.351 204 H LEU 27 H LEU 27 -16.509 1.430 1.296 205 HA LEU 27 HA LEU 27 -15.441 0.469 -1.211 206 HB2 LEU 27 HB2 LEU 27 -18.138 1.547 -0.429 207 HB3 LEU 27 HB3 LEU 27 -17.724 1.118 -2.078 208 HG LEU 27 HG LEU 27 -17.126 -1.200 -1.041 209 HD11 LEU 27 HD11 LEU 27 -17.342 -0.565 1.289 210 HD12 LEU 27 HD12 LEU 27 -18.536 -1.792 0.867 211 HD13 LEU 27 HD13 LEU 27 -19.026 -0.105 1.028 212 HD21 LEU 27 HD21 LEU 27 -19.986 -0.311 -1.325 213 HD22 LEU 27 HD22 LEU 27 -19.370 -1.957 -1.485 214 HD23 LEU 27 HD23 LEU 27 -18.906 -0.723 -2.655 215 H GLY 28 H GLY 28 -14.524 1.700 -2.708 216 HA2 GLY 28 HA2 GLY 28 -14.405 4.563 -2.376 217 HA3 GLY 28 HA3 GLY 28 -13.612 3.618 -3.632 218 H PHE 29 H PHE 29 -16.672 5.018 -2.626 219 HA PHE 29 HA PHE 29 -17.439 5.170 -5.455 220 HB2 PHE 29 HB2 PHE 29 -19.791 4.924 -4.795 221 HB3 PHE 29 HB3 PHE 29 -18.855 3.531 -4.290 222 HD1 PHE 29 HD1 PHE 29 -20.944 6.272 -3.231 223 HD2 PHE 29 HD2 PHE 29 -18.267 3.255 -1.881 224 HE1 PHE 29 HE1 PHE 29 -21.823 6.521 -0.952 225 HE2 PHE 29 HE2 PHE 29 -19.137 3.505 0.406 226 HZ PHE 29 HZ PHE 29 -20.919 5.138 0.874 227 H GLN 30 H GLN 30 -19.715 6.851 -4.979 228 HA GLN 30 HA GLN 30 -18.407 9.206 -3.802 229 HB2 GLN 30 HB2 GLN 30 -19.547 10.629 -5.471 230 HB3 GLN 30 HB3 GLN 30 -18.399 9.522 -6.194 231 HG2 GLN 30 HG2 GLN 30 -21.375 9.074 -6.131 232 HG3 GLN 30 HG3 GLN 30 -20.510 9.826 -7.463 233 HE21 GLN 30 HE21 GLN 30 -18.208 8.136 -7.310 234 HE22 GLN 30 HE22 GLN 30 -18.676 6.567 -7.888 235 H HIS 31 H HIS 31 -21.554 7.872 -4.728 236 HA HIS 31 HA HIS 31 -22.760 8.112 -2.236 237 HB2 HIS 31 HB2 HIS 31 -22.573 10.582 -2.722 238 HB3 HIS 31 HB3 HIS 31 -23.605 10.329 -4.124 239 HD1 HIS 31 HD1 HIS 31 -23.690 10.673 -0.431 240 HD2 HIS 31 HD2 HIS 31 -26.320 9.741 -3.513 241 HE1 HIS 31 HE1 HIS 31 -25.991 10.823 0.572 242 HE2 HIS 31 HE2 HIS 31 -27.567 10.401 -1.348 243 H LEU 32 H LEU 32 -23.806 6.234 -2.626 244 HA LEU 32 HA LEU 32 -25.792 6.133 -4.704 245 HB2 LEU 32 HB2 LEU 32 -24.728 3.971 -5.609 246 HB3 LEU 32 HB3 LEU 32 -24.134 5.503 -6.181 247 HG LEU 32 HG LEU 32 -22.264 5.249 -4.472 248 HD11 LEU 32 HD11 LEU 32 -21.761 2.979 -3.725 249 HD12 LEU 32 HD12 LEU 32 -23.279 2.411 -4.420 250 HD13 LEU 32 HD13 LEU 32 -23.296 3.544 -3.069 251 HD21 LEU 32 HD21 LEU 32 -22.509 3.277 -6.735 252 HD22 LEU 32 HD22 LEU 32 -21.006 3.697 -5.918 253 HD23 LEU 32 HD23 LEU 32 -21.884 4.924 -6.830 254 H THR 33 H THR 33 -26.929 4.019 -4.732 255 HA THR 33 HA THR 33 -26.952 2.806 -2.070 256 HB THR 33 HB THR 33 -29.135 1.753 -3.071 257 HG1 THR 33 HG1 THR 33 -30.105 3.060 -4.640 258 HG21 THR 33 HG21 THR 33 -30.431 3.710 -2.293 259 HG22 THR 33 HG22 THR 33 -28.934 4.641 -2.226 260 HG23 THR 33 HG23 THR 33 -29.150 3.240 -1.175 261 H ASN 34 H ASN 34 -27.786 0.398 -2.260 262 HA ASN 34 HA ASN 34 -25.744 -1.104 -3.496 263 HB2 ASN 34 HB2 ASN 34 -28.440 -2.031 -2.482 264 HB3 ASN 34 HB3 ASN 34 -27.069 -3.074 -2.842 265 HD21 ASN 34 HD21 ASN 34 -28.580 -2.472 -0.339 266 HD22 ASN 34 HD22 ASN 34 -27.380 -1.985 0.808 267 H GLU 35 H GLU 35 -28.800 0.050 -4.564 268 HA GLU 35 HA GLU 35 -29.329 -1.479 -6.815 269 HB2 GLU 35 HB2 GLU 35 -29.496 1.530 -6.780 270 HB3 GLU 35 HB3 GLU 35 -30.520 0.400 -7.651 271 HG2 GLU 35 HG2 GLU 35 -31.468 -0.359 -5.562 272 HG3 GLU 35 HG3 GLU 35 -30.431 0.742 -4.672 273 H GLU 36 H GLU 36 -27.387 1.458 -6.540 274 HA GLU 36 HA GLU 36 -26.468 1.404 -9.223 275 HB2 GLU 36 HB2 GLU 36 -26.534 3.332 -7.418 276 HB3 GLU 36 HB3 GLU 36 -24.904 2.766 -7.081 277 HG2 GLU 36 HG2 GLU 36 -24.804 4.584 -8.636 278 HG3 GLU 36 HG3 GLU 36 -24.328 3.095 -9.452 279 H ARG 37 H ARG 37 -25.243 0.119 -6.215 280 HA ARG 37 HA ARG 37 -22.612 -0.444 -6.916 281 HB2 ARG 37 HB2 ARG 37 -24.502 -1.881 -5.064 282 HB3 ARG 37 HB3 ARG 37 -22.819 -2.349 -5.245 283 HG2 ARG 37 HG2 ARG 37 -22.135 -0.107 -4.514 284 HG3 ARG 37 HG3 ARG 37 -23.834 0.319 -4.291 285 HD2 ARG 37 HD2 ARG 37 -22.729 -0.334 -2.182 286 HD3 ARG 37 HD3 ARG 37 -24.081 -1.386 -2.595 287 HE ARG 37 HE ARG 37 -21.611 -2.424 -3.563 288 HH11 ARG 37 HH11 ARG 37 -23.582 -2.122 -0.684 289 HH12 ARG 37 HH12 ARG 37 -22.897 -3.521 0.083 290 HH21 ARG 37 HH21 ARG 37 -20.715 -4.259 -2.562 291 HH22 ARG 37 HH22 ARG 37 -21.267 -4.736 -0.989 292 H ASN 38 H ASN 38 -25.481 -2.533 -7.280 293 HA ASN 38 HA ASN 38 -23.935 -4.571 -8.595 294 HB2 ASN 38 HB2 ASN 38 -26.916 -4.241 -8.225 295 HB3 ASN 38 HB3 ASN 38 -26.177 -5.626 -9.021 296 HD21 ASN 38 HD21 ASN 38 -24.958 -7.082 -7.803 297 HD22 ASN 38 HD22 ASN 38 -25.099 -7.162 -6.081 298 H ASP 39 H ASP 39 -26.045 -1.955 -9.594 299 HA ASP 39 HA ASP 39 -26.382 -2.979 -12.251 300 HB2 ASP 39 HB2 ASP 39 -28.121 -1.653 -11.124 301 HB3 ASP 39 HB3 ASP 39 -27.055 -0.252 -11.150 302 H MET 40 H MET 40 -24.767 -0.042 -11.000 303 HA MET 40 HA MET 40 -23.598 0.326 -13.659 304 HB2 MET 40 HB2 MET 40 -24.791 2.215 -12.577 305 HB3 MET 40 HB3 MET 40 -23.596 2.201 -11.291 306 HG2 MET 40 HG2 MET 40 -23.076 3.950 -12.842 307 HG3 MET 40 HG3 MET 40 -21.845 2.693 -12.948 308 HE1 MET 40 HE1 MET 40 -22.011 3.993 -16.628 309 HE2 MET 40 HE2 MET 40 -20.965 3.640 -15.254 310 HE3 MET 40 HE3 MET 40 -22.151 4.942 -15.149 311 H ILE 41 H ILE 41 -22.677 -0.081 -10.290 312 HA ILE 41 HA ILE 41 -19.892 0.364 -10.758 313 HB ILE 41 HB ILE 41 -21.291 -0.895 -8.396 314 HG12 ILE 41 HG12 ILE 41 -21.968 1.423 -8.753 315 HG13 ILE 41 HG13 ILE 41 -20.939 1.307 -7.329 316 HG21 ILE 41 HG21 ILE 41 -18.464 0.122 -8.617 317 HG22 ILE 41 HG22 ILE 41 -18.948 -1.570 -8.514 318 HG23 ILE 41 HG23 ILE 41 -19.239 -0.486 -7.153 319 HD11 ILE 41 HD11 ILE 41 -20.118 2.281 -10.055 320 HD12 ILE 41 HD12 ILE 41 -19.040 2.110 -8.670 321 HD13 ILE 41 HD13 ILE 41 -20.373 3.263 -8.614 322 H SER 42 H SER 42 -18.911 -0.992 -12.127 323 HA SER 42 HA SER 42 -19.420 -3.812 -12.189 324 HB2 SER 42 HB2 SER 42 -17.118 -2.246 -13.387 325 HB3 SER 42 HB3 SER 42 -17.629 -3.873 -13.839 326 HG SER 42 HG SER 42 -19.772 -2.653 -14.189 327 H TYR 43 H TYR 43 -17.189 -1.658 -10.643 328 HA TYR 43 HA TYR 43 -16.391 -3.668 -8.768 329 HB2 TYR 43 HB2 TYR 43 -13.991 -3.563 -9.190 330 HB3 TYR 43 HB3 TYR 43 -14.813 -4.119 -10.642 331 HD1 TYR 43 HD1 TYR 43 -12.753 -1.524 -9.168 332 HD2 TYR 43 HD2 TYR 43 -15.052 -2.584 -12.585 333 HE1 TYR 43 HE1 TYR 43 -11.654 0.257 -10.451 334 HE2 TYR 43 HE2 TYR 43 -13.956 -0.803 -13.878 335 HH TYR 43 HH TYR 43 -12.806 1.343 -13.426 336 H LYS 44 H LYS 44 -15.253 -2.725 -6.974 337 HA LYS 44 HA LYS 44 -16.046 -0.193 -6.179 338 HB2 LYS 44 HB2 LYS 44 -13.674 -1.864 -5.323 339 HB3 LYS 44 HB3 LYS 44 -14.175 -0.395 -4.493 340 HG2 LYS 44 HG2 LYS 44 -16.107 -1.349 -3.678 341 HG3 LYS 44 HG3 LYS 44 -16.159 -2.576 -4.941 342 HD2 LYS 44 HD2 LYS 44 -15.597 -3.611 -2.839 343 HD3 LYS 44 HD3 LYS 44 -14.200 -3.672 -3.911 344 HE2 LYS 44 HE2 LYS 44 -13.183 -1.813 -2.747 345 HE3 LYS 44 HE3 LYS 44 -14.614 -1.629 -1.732 346 HZ1 LYS 44 HZ1 LYS 44 -14.203 -3.816 -0.811 347 HZ2 LYS 44 HZ2 LYS 44 -12.845 -2.832 -0.590 348 HZ3 LYS 44 HZ3 LYS 44 -12.845 -4.014 -1.799 349 H GLU 45 H GLU 45 -15.506 1.761 -6.893 350 HA GLU 45 HA GLU 45 -13.861 2.049 -9.131 351 HB2 GLU 45 HB2 GLU 45 -14.995 4.170 -7.317 352 HB3 GLU 45 HB3 GLU 45 -14.281 4.467 -8.884 353 HG2 GLU 45 HG2 GLU 45 -15.993 3.031 -9.908 354 HG3 GLU 45 HG3 GLU 45 -16.735 2.892 -8.322 355 H ASN 46 H ASN 46 -12.909 2.017 -5.876 356 HA ASN 46 HA ASN 46 -10.623 3.686 -6.062 357 HB2 ASN 46 HB2 ASN 46 -11.463 2.988 -3.886 358 HB3 ASN 46 HB3 ASN 46 -11.180 1.297 -4.284 359 HD21 ASN 46 HD21 ASN 46 -9.654 4.360 -3.558 360 HD22 ASN 46 HD22 ASN 46 -8.124 3.705 -3.095 361 H GLY 47 H GLY 47 -11.402 0.566 -7.263 362 HA2 GLY 47 HA2 GLY 47 -10.266 -0.501 -9.000 363 HA3 GLY 47 HA3 GLY 47 -8.851 0.504 -8.662 364 H ASP 48 H ASP 48 -9.575 -0.468 -5.721 365 HA ASP 48 HA ASP 48 -8.525 -1.839 -4.254 366 HB2 ASP 48 HB2 ASP 48 -10.048 -3.511 -5.169 367 HB3 ASP 48 HB3 ASP 48 -8.920 -3.856 -6.473 368 H VAL 49 H VAL 49 -6.688 -0.495 -4.548 369 HA VAL 49 HA VAL 49 -4.602 -1.527 -6.320 370 HB VAL 49 HB VAL 49 -3.674 0.856 -5.978 371 HG11 VAL 49 HG11 VAL 49 -5.076 1.686 -7.836 372 HG12 VAL 49 HG12 VAL 49 -6.188 0.343 -7.569 373 HG13 VAL 49 HG13 VAL 49 -4.535 0.027 -8.093 374 HG21 VAL 49 HG21 VAL 49 -5.190 1.527 -4.160 375 HG22 VAL 49 HG22 VAL 49 -6.576 1.301 -5.231 376 HG23 VAL 49 HG23 VAL 49 -5.412 2.568 -5.566 377 H HIS 50 H HIS 50 -3.300 -2.790 -5.190 378 HA HIS 50 HA HIS 50 -2.137 -1.782 -2.690 379 HB2 HIS 50 HB2 HIS 50 -3.926 -3.424 -2.155 380 HB3 HIS 50 HB3 HIS 50 -3.116 -4.612 -3.163 381 HD1 HIS 50 HD1 HIS 50 -3.106 -3.135 0.216 382 HD2 HIS 50 HD2 HIS 50 -0.674 -5.624 -2.058 383 HE1 HIS 50 HE1 HIS 50 -1.532 -4.220 1.848 384 HE2 HIS 50 HE2 HIS 50 -0.155 -5.815 0.468 385 H VAL 51 H VAL 51 -0.151 -1.327 -3.572 386 HA VAL 51 HA VAL 51 1.220 -3.546 -4.953 387 HB VAL 51 HB VAL 51 2.506 -1.805 -6.211 388 HG11 VAL 51 HG11 VAL 51 0.603 -2.928 -7.251 389 HG12 VAL 51 HG12 VAL 51 0.735 -1.253 -7.791 390 HG13 VAL 51 HG13 VAL 51 -0.480 -1.700 -6.591 391 HG21 VAL 51 HG21 VAL 51 1.632 0.451 -6.325 392 HG22 VAL 51 HG22 VAL 51 2.172 0.046 -4.694 393 HG23 VAL 51 HG23 VAL 51 0.448 0.059 -5.076 394 H LEU 52 H LEU 52 3.308 -3.985 -4.387 395 HA LEU 52 HA LEU 52 4.393 -2.467 -2.115 396 HB2 LEU 52 HB2 LEU 52 5.452 -5.091 -3.180 397 HB3 LEU 52 HB3 LEU 52 5.863 -4.316 -1.669 398 HG LEU 52 HG LEU 52 4.500 -6.095 -1.045 399 HD11 LEU 52 HD11 LEU 52 2.656 -3.726 -1.259 400 HD12 LEU 52 HD12 LEU 52 3.820 -4.025 0.031 401 HD13 LEU 52 HD13 LEU 52 2.444 -5.107 -0.182 402 HD21 LEU 52 HD21 LEU 52 2.443 -6.747 -2.115 403 HD22 LEU 52 HD22 LEU 52 3.725 -6.647 -3.322 404 HD23 LEU 52 HD23 LEU 52 2.529 -5.358 -3.199 405 H THR 53 H THR 53 6.071 -1.136 -2.452 406 HA THR 53 HA THR 53 7.593 -1.407 -4.934 407 HB THR 53 HB THR 53 5.594 0.036 -5.388 408 HG1 THR 53 HG1 THR 53 7.739 0.289 -6.439 409 HG21 THR 53 HG21 THR 53 5.376 1.109 -3.216 410 HG22 THR 53 HG22 THR 53 5.580 2.322 -4.480 411 HG23 THR 53 HG23 THR 53 6.935 1.904 -3.432 412 H ILE 54 H ILE 54 9.139 0.652 -4.990 413 HA ILE 54 HA ILE 54 10.764 0.373 -2.609 414 HB ILE 54 HB ILE 54 11.197 1.325 -5.400 415 HG12 ILE 54 HG12 ILE 54 12.959 -0.350 -3.629 416 HG13 ILE 54 HG13 ILE 54 11.615 -1.016 -4.538 417 HG21 ILE 54 HG21 ILE 54 13.386 2.252 -4.873 418 HG22 ILE 54 HG22 ILE 54 13.062 2.053 -3.152 419 HG23 ILE 54 HG23 ILE 54 12.095 3.178 -4.106 420 HD11 ILE 54 HD11 ILE 54 13.970 0.424 -5.722 421 HD12 ILE 54 HD12 ILE 54 12.642 -0.317 -6.616 422 HD13 ILE 54 HD13 ILE 54 13.746 -1.324 -5.682 423 H CYS 55 H CYS 55 10.434 1.695 -0.975 424 HA CYS 55 HA CYS 55 9.306 4.319 -1.315 425 HB2 CYS 55 HB2 CYS 55 9.233 4.444 1.033 426 HB3 CYS 55 HB3 CYS 55 8.982 2.738 0.698 427 H GLU 56 H GLU 56 10.625 6.109 0.105 428 HA GLU 56 HA GLU 56 12.905 6.751 -1.369 429 HB2 GLU 56 HB2 GLU 56 12.070 7.666 1.385 430 HB3 GLU 56 HB3 GLU 56 13.335 8.414 0.424 431 HG2 GLU 56 HG2 GLU 56 11.774 9.077 -1.253 432 HG3 GLU 56 HG3 GLU 56 10.484 8.166 -0.474 433 H ASP 57 H ASP 57 12.605 5.321 1.856 434 HA ASP 57 HA ASP 57 15.365 5.063 2.367 435 HB2 ASP 57 HB2 ASP 57 13.495 4.938 4.056 436 HB3 ASP 57 HB3 ASP 57 13.163 3.311 3.470 437 H CYS 58 H CYS 58 13.056 2.994 0.699 438 HA CYS 58 HA CYS 58 14.640 0.664 0.475 439 HB2 CYS 58 HB2 CYS 58 12.421 1.831 -1.176 440 HB3 CYS 58 HB3 CYS 58 13.305 0.434 -1.767 441 H GLN 59 H GLN 59 14.132 3.326 -1.815 442 HA GLN 59 HA GLN 59 15.989 2.619 -3.745 443 HB2 GLN 59 HB2 GLN 59 14.190 4.440 -3.767 444 HB3 GLN 59 HB3 GLN 59 15.361 5.467 -2.976 445 HG2 GLN 59 HG2 GLN 59 15.847 4.126 -5.625 446 HG3 GLN 59 HG3 GLN 59 15.124 5.718 -5.474 447 HE21 GLN 59 HE21 GLN 59 16.847 6.628 -3.322 448 HE22 GLN 59 HE22 GLN 59 18.410 6.846 -3.999 449 H GLU 60 H GLU 60 16.449 4.346 -0.710 450 HA GLU 60 HA GLU 60 19.062 5.221 -1.178 451 HB2 GLU 60 HB2 GLU 60 17.425 4.686 1.280 452 HB3 GLU 60 HB3 GLU 60 19.034 5.307 1.334 453 HG2 GLU 60 HG2 GLU 60 16.735 6.598 0.004 454 HG3 GLU 60 HG3 GLU 60 17.419 7.080 1.544 455 H ALA 61 H ALA 61 17.752 2.387 0.471 456 HA ALA 61 HA ALA 61 20.215 1.257 1.258 457 HB1 ALA 61 HB1 ALA 61 18.936 -0.808 1.563 458 HB2 ALA 61 HB2 ALA 61 17.580 -0.103 0.681 459 HB3 ALA 61 HB3 ALA 61 18.071 0.572 2.234 460 H LEU 62 H LEU 62 18.369 1.374 -1.572 461 HA LEU 62 HA LEU 62 19.420 -0.850 -2.948 462 HB2 LEU 62 HB2 LEU 62 17.319 0.940 -3.154 463 HB3 LEU 62 HB3 LEU 62 18.316 1.306 -4.551 464 HG LEU 62 HG LEU 62 18.296 -1.271 -4.812 465 HD11 LEU 62 HD11 LEU 62 16.171 -2.280 -4.158 466 HD12 LEU 62 HD12 LEU 62 15.747 -0.796 -3.306 467 HD13 LEU 62 HD13 LEU 62 17.120 -1.762 -2.766 468 HD21 LEU 62 HD21 LEU 62 16.043 0.558 -5.581 469 HD22 LEU 62 HD22 LEU 62 16.257 -1.058 -6.249 470 HD23 LEU 62 HD23 LEU 62 17.483 0.178 -6.525 471 H ASP 63 H ASP 63 19.747 2.643 -3.487 472 HA ASP 63 HA ASP 63 21.686 2.310 -5.547 473 HB2 ASP 63 HB2 ASP 63 20.069 4.213 -5.395 474 HB3 ASP 63 HB3 ASP 63 20.999 4.835 -4.036 475 H ARG 64 H ARG 64 21.867 3.271 -2.149 476 HA ARG 64 HA ARG 64 24.795 3.258 -2.414 477 HB2 ARG 64 HB2 ARG 64 23.070 4.787 -0.461 478 HB3 ARG 64 HB3 ARG 64 24.828 4.739 -0.414 479 HG2 ARG 64 HG2 ARG 64 24.852 5.683 -2.717 480 HG3 ARG 64 HG3 ARG 64 23.104 5.868 -2.606 481 HD2 ARG 64 HD2 ARG 64 25.043 7.100 -0.661 482 HD3 ARG 64 HD3 ARG 64 24.447 7.927 -2.096 483 HE ARG 64 HE ARG 64 22.237 7.033 -0.640 484 HH11 ARG 64 HH11 ARG 64 24.899 9.268 -0.268 485 HH12 ARG 64 HH12 ARG 64 23.992 10.395 0.690 486 HH21 ARG 64 HH21 ARG 64 21.020 8.525 0.637 487 HH22 ARG 64 HH22 ARG 64 21.809 9.962 1.221 488 H ASN 65 H ASN 65 22.501 2.941 0.263 489 HA ASN 65 HA ASN 65 21.991 1.067 1.510 490 HB2 ASN 65 HB2 ASN 65 23.467 -0.363 -0.059 491 HB3 ASN 65 HB3 ASN 65 24.691 -0.173 1.185 492 HD21 ASN 65 HD21 ASN 65 22.684 -0.144 3.361 493 HD22 ASN 65 HD22 ASN 65 22.156 -1.782 3.524 494 HA PRO 66 HA PRO 66 25.260 1.957 4.889 495 HB2 PRO 66 HB2 PRO 66 27.384 3.545 4.286 496 HB3 PRO 66 HB3 PRO 66 27.442 1.781 4.187 497 HG2 PRO 66 HG2 PRO 66 27.012 3.787 2.006 498 HG3 PRO 66 HG3 PRO 66 28.048 2.346 2.014 499 HD2 PRO 66 HD2 PRO 66 25.637 2.348 0.829 500 HD3 PRO 66 HD3 PRO 66 26.272 0.915 1.658 501 H HIS 67 H HIS 67 24.321 4.202 2.473 502 HA HIS 67 HA HIS 67 23.841 6.240 4.541 503 HB2 HIS 67 HB2 HIS 67 24.631 6.599 1.649 504 HB3 HIS 67 HB3 HIS 67 23.926 7.897 2.604 505 HD1 HIS 67 HD1 HIS 67 25.542 9.337 3.784 506 HD2 HIS 67 HD2 HIS 67 27.148 5.606 2.898 507 HE1 HIS 67 HE1 HIS 67 27.964 9.452 4.475 508 HE2 HIS 67 HE2 HIS 67 28.945 7.236 3.782 509 H TYR 68 H TYR 68 21.749 6.265 4.984 510 HA TYR 68 HA TYR 68 19.859 6.442 2.788 511 HB2 TYR 68 HB2 TYR 68 18.341 4.758 3.817 512 HB3 TYR 68 HB3 TYR 68 19.832 4.075 3.189 513 HD1 TYR 68 HD1 TYR 68 21.463 3.082 4.673 514 HD2 TYR 68 HD2 TYR 68 17.920 4.850 6.225 515 HE1 TYR 68 HE1 TYR 68 21.859 1.971 6.830 516 HE2 TYR 68 HE2 TYR 68 18.312 3.749 8.388 517 HH TYR 68 HH TYR 68 19.484 1.832 9.287 518 H HIS 69 H HIS 69 20.780 7.127 6.017 519 HA HIS 69 HA HIS 69 18.891 9.258 6.166 520 HB2 HIS 69 HB2 HIS 69 17.562 7.182 6.862 521 HB3 HIS 69 HB3 HIS 69 18.581 7.142 8.295 522 HD1 HIS 69 HD1 HIS 69 17.814 8.529 10.226 523 HD2 HIS 69 HD2 HIS 69 16.026 9.668 6.652 524 HE1 HIS 69 HE1 HIS 69 16.093 10.250 10.850 525 HE2 HIS 69 HE2 HIS 69 15.191 11.078 8.648 526 H GLU 70 H GLU 70 21.079 10.181 6.278 527 HA GLU 70 HA GLU 70 22.551 9.804 8.736 528 HB2 GLU 70 HB2 GLU 70 22.944 11.737 6.447 529 HB3 GLU 70 HB3 GLU 70 23.995 11.657 7.852 530 HG2 GLU 70 HG2 GLU 70 25.164 10.389 6.366 531 HG3 GLU 70 HG3 GLU 70 24.216 9.145 7.176 532 H TYR 71 H TYR 71 22.576 11.123 10.487 533 HA TYR 71 HA TYR 71 20.341 12.983 10.651 534 HB2 TYR 71 HB2 TYR 71 20.967 12.926 13.148 535 HB3 TYR 71 HB3 TYR 71 20.273 11.477 12.434 536 HD1 TYR 71 HD1 TYR 71 21.416 9.429 12.526 537 HD2 TYR 71 HD2 TYR 71 23.499 13.021 13.459 538 HE1 TYR 71 HE1 TYR 71 23.327 8.107 13.334 539 HE2 TYR 71 HE2 TYR 71 25.411 11.705 14.263 540 HH TYR 71 HH TYR 71 25.728 8.371 13.688 541 H HIS 72 H HIS 72 22.375 14.006 9.127 542 HA HIS 72 HA HIS 72 23.044 16.347 10.695 543 HB2 HIS 72 HB2 HIS 72 25.407 16.356 10.157 544 HB3 HIS 72 HB3 HIS 72 25.017 14.862 10.995 545 HD1 HIS 72 HD1 HIS 72 25.372 12.668 9.727 546 HD2 HIS 72 HD2 HIS 72 26.115 16.056 7.430 547 HE1 HIS 72 HE1 HIS 72 26.488 11.837 7.632 548 HE2 HIS 72 HE2 HIS 72 26.865 13.893 6.226 549 H THR 73 H THR 73 23.279 18.185 9.472 550 HA THR 73 HA THR 73 22.957 19.593 7.731 551 HB THR 73 HB THR 73 23.667 17.292 5.899 552 HG1 THR 73 HG1 THR 73 25.173 18.600 7.764 553 HG21 THR 73 HG21 THR 73 22.767 19.297 4.798 554 HG22 THR 73 HG22 THR 73 24.475 19.071 4.424 555 HG23 THR 73 HG23 THR 73 23.984 20.285 5.605 Start of MODEL 20 1 H1 GLN -1 H1 GLN -1 -1.900 15.415 -10.585 2 H2 GLN -1 H2 GLN -1 -0.215 15.543 -10.515 3 H3 GLN -1 H3 GLN -1 -1.106 15.326 -9.097 4 HA GLN -1 HA GLN -1 -0.880 13.381 -11.313 5 HB2 GLN -1 HB2 GLN -1 1.195 13.581 -10.004 6 HB3 GLN -1 HB3 GLN -1 0.289 13.315 -8.522 7 HG2 GLN -1 HG2 GLN -1 -0.378 11.082 -9.441 8 HG3 GLN -1 HG3 GLN -1 0.758 11.363 -10.760 9 HE21 GLN -1 HE21 GLN -1 2.969 11.350 -10.328 10 HE22 GLN -1 HE22 GLN -1 3.615 10.690 -8.864 11 H SER 0 H SER 0 -1.696 13.597 -7.843 12 HA SER 0 HA SER 0 -3.331 12.666 -6.590 13 HB2 SER 0 HB2 SER 0 -4.795 12.229 -9.203 14 HB3 SER 0 HB3 SER 0 -5.500 12.156 -7.588 15 HG SER 0 HG SER 0 -5.259 14.318 -7.367 16 H MET 1 H MET 1 -2.806 10.813 -5.635 17 HA MET 1 HA MET 1 -1.989 8.544 -7.235 18 HB2 MET 1 HB2 MET 1 -2.245 8.690 -4.237 19 HB3 MET 1 HB3 MET 1 -1.360 7.494 -5.165 20 HG2 MET 1 HG2 MET 1 0.216 9.179 -5.895 21 HG3 MET 1 HG3 MET 1 -0.689 10.424 -5.038 22 HE1 MET 1 HE1 MET 1 1.566 7.263 -4.745 23 HE2 MET 1 HE2 MET 1 0.150 6.729 -3.840 24 HE3 MET 1 HE3 MET 1 1.675 7.023 -3.002 25 H ALA 2 H ALA 2 -2.992 6.596 -7.345 26 HA ALA 2 HA ALA 2 -5.704 6.425 -6.204 27 HB1 ALA 2 HB1 ALA 2 -5.815 6.915 -8.595 28 HB2 ALA 2 HB2 ALA 2 -6.461 5.316 -8.232 29 HB3 ALA 2 HB3 ALA 2 -4.852 5.478 -8.935 30 H LEU 3 H LEU 3 -2.671 4.967 -6.585 31 HA LEU 3 HA LEU 3 -3.701 2.328 -5.789 32 HB2 LEU 3 HB2 LEU 3 -1.069 3.096 -7.055 33 HB3 LEU 3 HB3 LEU 3 -1.433 1.499 -6.464 34 HG LEU 3 HG LEU 3 -3.443 1.625 -8.116 35 HD11 LEU 3 HD11 LEU 3 -1.539 3.623 -9.274 36 HD12 LEU 3 HD12 LEU 3 -3.130 3.979 -8.614 37 HD13 LEU 3 HD13 LEU 3 -2.979 2.984 -10.064 38 HD21 LEU 3 HD21 LEU 3 -0.587 1.283 -9.011 39 HD22 LEU 3 HD22 LEU 3 -2.003 0.752 -9.918 40 HD23 LEU 3 HD23 LEU 3 -1.642 0.034 -8.348 41 H HIS 4 H HIS 4 -2.284 1.162 -4.227 42 HA HIS 4 HA HIS 4 -1.633 3.103 -2.117 43 HB2 HIS 4 HB2 HIS 4 -2.520 0.236 -1.939 44 HB3 HIS 4 HB3 HIS 4 -1.919 1.140 -0.565 45 HD1 HIS 4 HD1 HIS 4 -4.975 0.185 -2.027 46 HD2 HIS 4 HD2 HIS 4 -3.550 3.685 -0.307 47 HE1 HIS 4 HE1 HIS 4 -7.015 1.509 -1.395 48 HE2 HIS 4 HE2 HIS 4 -6.103 3.432 -0.042 49 H TYR 5 H TYR 5 0.332 3.289 -1.523 50 HA TYR 5 HA TYR 5 2.308 1.414 -2.580 51 HB2 TYR 5 HB2 TYR 5 2.463 4.256 -1.611 52 HB3 TYR 5 HB3 TYR 5 3.910 3.276 -1.833 53 HD1 TYR 5 HD1 TYR 5 4.942 4.526 -3.494 54 HD2 TYR 5 HD2 TYR 5 0.941 3.221 -4.086 55 HE1 TYR 5 HE1 TYR 5 5.079 5.204 -5.836 56 HE2 TYR 5 HE2 TYR 5 1.066 3.896 -6.447 57 HH TYR 5 HH TYR 5 2.424 5.588 -7.811 58 H TYR 6 H TYR 6 2.768 -0.175 -1.206 59 HA TYR 6 HA TYR 6 3.445 0.609 1.547 60 HB2 TYR 6 HB2 TYR 6 2.359 -2.041 0.569 61 HB3 TYR 6 HB3 TYR 6 2.909 -1.724 2.214 62 HD1 TYR 6 HD1 TYR 6 0.120 -1.705 0.033 63 HD2 TYR 6 HD2 TYR 6 1.755 0.280 3.437 64 HE1 TYR 6 HE1 TYR 6 -2.115 -0.853 0.602 65 HE2 TYR 6 HE2 TYR 6 -0.489 1.123 4.008 66 HH TYR 6 HH TYR 6 -3.306 -0.058 2.709 67 H CYS 7 H CYS 7 5.508 0.178 2.176 68 HA CYS 7 HA CYS 7 7.229 -0.310 -0.048 69 HB2 CYS 7 HB2 CYS 7 7.624 1.454 1.690 70 HB3 CYS 7 HB3 CYS 7 8.128 0.164 2.759 71 H ARG 8 H ARG 8 8.142 -2.070 -0.655 72 HA ARG 8 HA ARG 8 8.294 -4.383 1.017 73 HB2 ARG 8 HB2 ARG 8 9.348 -5.463 -0.810 74 HB3 ARG 8 HB3 ARG 8 8.156 -4.397 -1.525 75 HG2 ARG 8 HG2 ARG 8 9.835 -3.866 -2.902 76 HG3 ARG 8 HG3 ARG 8 10.320 -2.793 -1.582 77 HD2 ARG 8 HD2 ARG 8 11.818 -4.516 -0.720 78 HD3 ARG 8 HD3 ARG 8 11.316 -5.610 -2.008 79 HE ARG 8 HE ARG 8 12.446 -3.069 -2.833 80 HH11 ARG 8 HH11 ARG 8 12.950 -6.485 -2.274 81 HH12 ARG 8 HH12 ARG 8 14.399 -6.564 -3.225 82 HH21 ARG 8 HH21 ARG 8 14.376 -3.173 -4.087 83 HH22 ARG 8 HH22 ARG 8 15.200 -4.688 -4.262 84 H HIS 9 H HIS 9 9.734 -4.663 2.538 85 HA HIS 9 HA HIS 9 11.994 -5.193 3.092 86 HB2 HIS 9 HB2 HIS 9 13.066 -4.185 1.170 87 HB3 HIS 9 HB3 HIS 9 12.677 -2.572 1.743 88 HD1 HIS 9 HD1 HIS 9 15.139 -5.327 2.126 89 HD2 HIS 9 HD2 HIS 9 14.336 -1.633 3.859 90 HE1 HIS 9 HE1 HIS 9 17.199 -4.727 3.432 91 HE2 HIS 9 HE2 HIS 9 16.752 -2.422 4.338 92 H CYS 10 H CYS 10 10.305 -2.142 3.554 93 HA CYS 10 HA CYS 10 11.226 -2.285 6.344 94 HB2 CYS 10 HB2 CYS 10 11.524 0.043 6.514 95 HB3 CYS 10 HB3 CYS 10 12.274 -0.408 4.988 96 H GLY 11 H GLY 11 8.583 -2.193 4.250 97 HA2 GLY 11 HA2 GLY 11 6.351 -2.436 4.679 98 HA3 GLY 11 HA3 GLY 11 6.777 -2.599 6.387 99 H VAL 12 H VAL 12 7.582 0.300 4.571 100 HA VAL 12 HA VAL 12 5.847 1.810 6.294 101 HB VAL 12 HB VAL 12 8.037 2.747 6.000 102 HG11 VAL 12 HG11 VAL 12 8.854 3.553 3.866 103 HG12 VAL 12 HG12 VAL 12 7.393 2.968 3.070 104 HG13 VAL 12 HG13 VAL 12 8.535 1.824 3.775 105 HG21 VAL 12 HG21 VAL 12 7.494 4.967 5.314 106 HG22 VAL 12 HG22 VAL 12 6.134 4.276 6.204 107 HG23 VAL 12 HG23 VAL 12 6.086 4.369 4.442 108 H LYS 13 H LYS 13 4.202 3.106 5.692 109 HA LYS 13 HA LYS 13 2.839 2.467 3.219 110 HB2 LYS 13 HB2 LYS 13 2.141 4.508 5.337 111 HB3 LYS 13 HB3 LYS 13 1.079 3.943 4.063 112 HG2 LYS 13 HG2 LYS 13 1.079 1.715 5.058 113 HG3 LYS 13 HG3 LYS 13 2.159 2.282 6.329 114 HD2 LYS 13 HD2 LYS 13 0.469 3.893 7.055 115 HD3 LYS 13 HD3 LYS 13 -0.616 3.337 5.779 116 HE2 LYS 13 HE2 LYS 13 -0.694 1.130 6.780 117 HE3 LYS 13 HE3 LYS 13 0.452 1.631 8.021 118 HZ1 LYS 13 HZ1 LYS 13 -2.272 2.740 7.624 119 HZ2 LYS 13 HZ2 LYS 13 -1.173 3.251 8.802 120 HZ3 LYS 13 HZ3 LYS 13 -1.802 1.684 8.857 121 H VAL 14 H VAL 14 3.732 3.360 1.438 122 HA VAL 14 HA VAL 14 4.786 6.090 1.593 123 HB VAL 14 HB VAL 14 5.092 5.085 -1.039 124 HG11 VAL 14 HG11 VAL 14 7.503 5.215 -0.452 125 HG12 VAL 14 HG12 VAL 14 7.029 5.531 1.217 126 HG13 VAL 14 HG13 VAL 14 6.581 6.664 -0.059 127 HG21 VAL 14 HG21 VAL 14 6.097 3.116 1.011 128 HG22 VAL 14 HG22 VAL 14 6.402 3.080 -0.728 129 HG23 VAL 14 HG23 VAL 14 4.770 2.829 -0.113 130 H GLY 15 H GLY 15 1.966 4.530 0.836 131 HA2 GLY 15 HA2 GLY 15 0.899 6.899 -0.429 132 HA3 GLY 15 HA3 GLY 15 0.914 5.473 -1.455 133 H SER 16 H SER 16 -0.132 6.605 1.719 134 HA SER 16 HA SER 16 -2.548 4.960 1.406 135 HB2 SER 16 HB2 SER 16 -1.040 5.502 3.976 136 HB3 SER 16 HB3 SER 16 -2.575 4.641 3.855 137 HG SER 16 HG SER 16 -1.587 2.948 2.976 138 H LEU 17 H LEU 17 -4.412 6.049 1.607 139 HA LEU 17 HA LEU 17 -4.200 8.863 2.431 140 HB2 LEU 17 HB2 LEU 17 -6.068 9.305 0.869 141 HB3 LEU 17 HB3 LEU 17 -4.616 8.731 0.073 142 HG LEU 17 HG LEU 17 -6.731 6.744 0.781 143 HD11 LEU 17 HD11 LEU 17 -7.856 7.175 -1.342 144 HD12 LEU 17 HD12 LEU 17 -6.831 8.588 -1.596 145 HD13 LEU 17 HD13 LEU 17 -7.972 8.556 -0.251 146 HD21 LEU 17 HD21 LEU 17 -5.932 5.659 -1.241 147 HD22 LEU 17 HD22 LEU 17 -4.585 6.002 -0.155 148 HD23 LEU 17 HD23 LEU 17 -4.858 7.019 -1.570 149 H GLU 18 H GLU 18 -5.679 5.880 2.950 150 HA GLU 18 HA GLU 18 -8.113 6.770 4.064 151 HB2 GLU 18 HB2 GLU 18 -6.644 4.168 4.456 152 HB3 GLU 18 HB3 GLU 18 -8.290 4.481 4.991 153 HG2 GLU 18 HG2 GLU 18 -8.803 3.526 3.028 154 HG3 GLU 18 HG3 GLU 18 -8.533 5.153 2.416 155 H SER 19 H SER 19 -8.768 6.916 6.177 156 HA SER 19 HA SER 19 -8.680 7.642 8.290 157 HB2 SER 19 HB2 SER 19 -5.938 6.357 8.358 158 HB3 SER 19 HB3 SER 19 -6.823 6.933 9.770 159 HG SER 19 HG SER 19 -6.947 4.561 8.891 160 H SER 20 H SER 20 -5.650 8.251 6.542 161 HA SER 20 HA SER 20 -4.884 10.522 8.027 162 HB2 SER 20 HB2 SER 20 -3.340 9.218 6.586 163 HB3 SER 20 HB3 SER 20 -4.178 9.831 5.163 164 HG SER 20 HG SER 20 -2.314 11.039 6.772 165 H MET 21 H MET 21 -6.848 10.157 5.101 166 HA MET 21 HA MET 21 -7.830 12.863 5.508 167 HB2 MET 21 HB2 MET 21 -7.532 13.373 3.044 168 HB3 MET 21 HB3 MET 21 -6.075 13.392 4.023 169 HG2 MET 21 HG2 MET 21 -5.444 11.218 3.193 170 HG3 MET 21 HG3 MET 21 -6.952 11.094 2.290 171 HE1 MET 21 HE1 MET 21 -6.522 13.812 -0.458 172 HE2 MET 21 HE2 MET 21 -7.288 14.030 1.114 173 HE3 MET 21 HE3 MET 21 -7.552 12.543 0.204 174 H VAL 22 H VAL 22 -8.042 10.004 3.364 175 HA VAL 22 HA VAL 22 -9.760 9.189 2.126 176 HB VAL 22 HB VAL 22 -11.437 9.856 4.550 177 HG11 VAL 22 HG11 VAL 22 -11.564 7.728 2.438 178 HG12 VAL 22 HG12 VAL 22 -12.721 9.033 2.710 179 HG13 VAL 22 HG13 VAL 22 -12.554 7.735 3.896 180 HG21 VAL 22 HG21 VAL 22 -9.235 8.710 5.080 181 HG22 VAL 22 HG22 VAL 22 -9.853 7.341 4.155 182 HG23 VAL 22 HG23 VAL 22 -10.703 7.882 5.598 183 H SER 23 H SER 23 -9.447 11.318 0.883 184 HA SER 23 HA SER 23 -12.077 12.403 0.402 185 HB2 SER 23 HB2 SER 23 -9.788 14.256 1.110 186 HB3 SER 23 HB3 SER 23 -11.393 14.748 0.572 187 HG SER 23 HG SER 23 -11.583 13.055 2.661 188 H THR 24 H THR 24 -11.279 10.899 -1.368 189 HA THR 24 HA THR 24 -9.977 12.525 -3.448 190 HB THR 24 HB THR 24 -9.215 10.289 -4.416 191 HG1 THR 24 HG1 THR 24 -9.933 8.608 -3.348 192 HG21 THR 24 HG21 THR 24 -8.036 11.158 -1.772 193 HG22 THR 24 HG22 THR 24 -7.672 11.865 -3.345 194 HG23 THR 24 HG23 THR 24 -7.217 10.196 -3.005 195 H ASP 25 H ASP 25 -10.616 11.865 -5.655 196 HA ASP 25 HA ASP 25 -13.470 11.214 -5.726 197 HB2 ASP 25 HB2 ASP 25 -11.600 12.290 -7.848 198 HB3 ASP 25 HB3 ASP 25 -13.288 11.887 -8.144 199 H SER 26 H SER 26 -10.412 9.905 -6.274 200 HA SER 26 HA SER 26 -11.395 7.707 -7.903 201 HB2 SER 26 HB2 SER 26 -9.180 8.789 -8.362 202 HB3 SER 26 HB3 SER 26 -8.622 8.212 -6.794 203 HG SER 26 HG SER 26 -9.645 6.495 -8.812 204 H LEU 27 H LEU 27 -11.151 5.518 -7.185 205 HA LEU 27 HA LEU 27 -11.558 3.820 -5.780 206 HB2 LEU 27 HB2 LEU 27 -10.281 5.631 -3.748 207 HB3 LEU 27 HB3 LEU 27 -10.782 3.995 -3.418 208 HG LEU 27 HG LEU 27 -8.691 4.798 -5.430 209 HD11 LEU 27 HD11 LEU 27 -7.953 5.155 -3.126 210 HD12 LEU 27 HD12 LEU 27 -7.106 3.800 -3.870 211 HD13 LEU 27 HD13 LEU 27 -8.413 3.500 -2.722 212 HD21 LEU 27 HD21 LEU 27 -8.243 2.367 -5.483 213 HD22 LEU 27 HD22 LEU 27 -9.833 2.802 -6.107 214 HD23 LEU 27 HD23 LEU 27 -9.678 2.123 -4.488 215 H GLY 28 H GLY 28 -13.425 3.156 -5.020 216 HA2 GLY 28 HA2 GLY 28 -15.370 5.137 -4.157 217 HA3 GLY 28 HA3 GLY 28 -15.692 3.449 -4.525 218 H PHE 29 H PHE 29 -13.194 2.978 -2.765 219 HA PHE 29 HA PHE 29 -12.736 2.304 -0.658 220 HB2 PHE 29 HB2 PHE 29 -14.651 4.499 0.148 221 HB3 PHE 29 HB3 PHE 29 -13.506 3.692 1.210 222 HD1 PHE 29 HD1 PHE 29 -14.044 6.631 -0.353 223 HD2 PHE 29 HD2 PHE 29 -11.018 3.662 -0.041 224 HE1 PHE 29 HE1 PHE 29 -12.348 8.315 -0.906 225 HE2 PHE 29 HE2 PHE 29 -9.310 5.341 -0.601 226 HZ PHE 29 HZ PHE 29 -9.976 7.674 -1.036 227 H GLN 30 H GLN 30 -15.215 1.443 -2.151 228 HA GLN 30 HA GLN 30 -16.842 -0.043 -2.072 229 HB2 GLN 30 HB2 GLN 30 -16.705 -1.908 -0.587 230 HB3 GLN 30 HB3 GLN 30 -15.101 -1.463 -1.114 231 HG2 GLN 30 HG2 GLN 30 -14.558 -0.554 0.987 232 HG3 GLN 30 HG3 GLN 30 -16.230 -0.638 1.523 233 HE21 GLN 30 HE21 GLN 30 -16.658 -3.301 0.393 234 HE22 GLN 30 HE22 GLN 30 -15.815 -4.401 1.427 235 H HIS 31 H HIS 31 -16.562 1.493 1.112 236 HA HIS 31 HA HIS 31 -19.446 1.942 1.039 237 HB2 HIS 31 HB2 HIS 31 -19.022 -0.241 2.229 238 HB3 HIS 31 HB3 HIS 31 -18.117 0.662 3.435 239 HD1 HIS 31 HD1 HIS 31 -21.556 -0.199 2.366 240 HD2 HIS 31 HD2 HIS 31 -19.713 2.296 5.137 241 HE1 HIS 31 HE1 HIS 31 -23.372 0.507 3.957 242 HE2 HIS 31 HE2 HIS 31 -22.264 2.133 5.528 243 H LEU 32 H LEU 32 -18.831 4.180 0.776 244 HA LEU 32 HA LEU 32 -17.988 5.360 3.301 245 HB2 LEU 32 HB2 LEU 32 -16.096 5.431 1.791 246 HB3 LEU 32 HB3 LEU 32 -17.075 6.196 0.551 247 HG LEU 32 HG LEU 32 -17.394 8.124 2.050 248 HD11 LEU 32 HD11 LEU 32 -15.911 8.360 4.007 249 HD12 LEU 32 HD12 LEU 32 -15.389 6.690 3.783 250 HD13 LEU 32 HD13 LEU 32 -17.069 7.044 4.192 251 HD21 LEU 32 HD21 LEU 32 -15.633 8.156 0.355 252 HD22 LEU 32 HD22 LEU 32 -14.509 7.443 1.513 253 HD23 LEU 32 HD23 LEU 32 -15.158 9.058 1.794 254 H THR 33 H THR 33 -18.864 7.028 0.249 255 HA THR 33 HA THR 33 -21.498 7.636 1.327 256 HB THR 33 HB THR 33 -19.521 9.847 0.749 257 HG1 THR 33 HG1 THR 33 -20.088 8.461 2.987 258 HG21 THR 33 HG21 THR 33 -21.748 10.503 0.062 259 HG22 THR 33 HG22 THR 33 -21.313 11.348 1.550 260 HG23 THR 33 HG23 THR 33 -22.412 9.970 1.607 261 H ASN 34 H ASN 34 -20.009 9.769 -1.031 262 HA ASN 34 HA ASN 34 -22.106 9.080 -2.910 263 HB2 ASN 34 HB2 ASN 34 -19.851 11.093 -3.114 264 HB3 ASN 34 HB3 ASN 34 -21.142 10.908 -4.295 265 HD21 ASN 34 HD21 ASN 34 -20.399 13.211 -2.705 266 HD22 ASN 34 HD22 ASN 34 -21.798 13.639 -1.782 267 H GLU 35 H GLU 35 -18.683 8.749 -2.535 268 HA GLU 35 HA GLU 35 -18.179 7.609 -5.075 269 HB2 GLU 35 HB2 GLU 35 -16.052 6.884 -4.136 270 HB3 GLU 35 HB3 GLU 35 -16.372 8.605 -4.025 271 HG2 GLU 35 HG2 GLU 35 -16.916 6.726 -1.779 272 HG3 GLU 35 HG3 GLU 35 -15.377 7.478 -2.090 273 H GLU 36 H GLU 36 -19.342 6.437 -2.084 274 HA GLU 36 HA GLU 36 -19.005 3.675 -2.387 275 HB2 GLU 36 HB2 GLU 36 -19.883 4.956 -0.368 276 HB3 GLU 36 HB3 GLU 36 -21.424 5.050 -1.200 277 HG2 GLU 36 HG2 GLU 36 -20.164 2.389 -0.769 278 HG3 GLU 36 HG3 GLU 36 -20.962 3.199 0.576 279 H ARG 37 H ARG 37 -21.482 5.893 -3.576 280 HA ARG 37 HA ARG 37 -23.113 4.004 -4.885 281 HB2 ARG 37 HB2 ARG 37 -22.647 6.870 -5.708 282 HB3 ARG 37 HB3 ARG 37 -24.042 5.880 -6.098 283 HG2 ARG 37 HG2 ARG 37 -24.612 5.788 -3.705 284 HG3 ARG 37 HG3 ARG 37 -23.252 6.858 -3.362 285 HD2 ARG 37 HD2 ARG 37 -25.660 7.491 -5.067 286 HD3 ARG 37 HD3 ARG 37 -25.325 8.118 -3.454 287 HE ARG 37 HE ARG 37 -23.238 8.716 -5.326 288 HH11 ARG 37 HH11 ARG 37 -26.370 9.728 -4.146 289 HH12 ARG 37 HH12 ARG 37 -26.178 11.371 -4.675 290 HH21 ARG 37 HH21 ARG 37 -22.989 10.867 -6.042 291 HH22 ARG 37 HH22 ARG 37 -24.259 12.014 -5.767 292 H ASN 38 H ASN 38 -20.181 5.668 -5.828 293 HA ASN 38 HA ASN 38 -20.301 4.818 -8.573 294 HB2 ASN 38 HB2 ASN 38 -17.989 5.958 -6.983 295 HB3 ASN 38 HB3 ASN 38 -18.004 5.718 -8.727 296 HD21 ASN 38 HD21 ASN 38 -17.610 8.170 -7.297 297 HD22 ASN 38 HD22 ASN 38 -18.875 9.240 -7.789 298 H ASP 39 H ASP 39 -19.218 3.494 -5.608 299 HA ASP 39 HA ASP 39 -17.433 1.540 -6.738 300 HB2 ASP 39 HB2 ASP 39 -17.416 2.458 -4.332 301 HB3 ASP 39 HB3 ASP 39 -18.764 1.370 -4.034 302 H MET 40 H MET 40 -20.794 1.906 -6.446 303 HA MET 40 HA MET 40 -21.635 -0.776 -6.216 304 HB2 MET 40 HB2 MET 40 -22.983 1.597 -7.511 305 HB3 MET 40 HB3 MET 40 -23.764 0.048 -7.246 306 HG2 MET 40 HG2 MET 40 -23.490 0.306 -4.843 307 HG3 MET 40 HG3 MET 40 -22.674 1.846 -5.097 308 HE1 MET 40 HE1 MET 40 -26.116 2.916 -3.561 309 HE2 MET 40 HE2 MET 40 -24.361 2.982 -3.397 310 HE3 MET 40 HE3 MET 40 -25.213 1.455 -3.168 311 H ILE 41 H ILE 41 -20.361 1.051 -8.855 312 HA ILE 41 HA ILE 41 -20.742 -1.292 -10.594 313 HB ILE 41 HB ILE 41 -21.953 0.578 -11.539 314 HG12 ILE 41 HG12 ILE 41 -19.356 0.094 -13.017 315 HG13 ILE 41 HG13 ILE 41 -20.785 -0.932 -13.083 316 HG21 ILE 41 HG21 ILE 41 -20.805 2.657 -12.202 317 HG22 ILE 41 HG22 ILE 41 -19.354 2.098 -11.371 318 HG23 ILE 41 HG23 ILE 41 -20.827 2.419 -10.455 319 HD11 ILE 41 HD11 ILE 41 -22.041 0.910 -14.091 320 HD12 ILE 41 HD12 ILE 41 -20.635 0.451 -15.051 321 HD13 ILE 41 HD13 ILE 41 -20.585 1.904 -14.053 322 H SER 42 H SER 42 -18.960 -2.272 -11.284 323 HA SER 42 HA SER 42 -16.799 -2.750 -11.781 324 HB2 SER 42 HB2 SER 42 -16.500 0.237 -11.613 325 HB3 SER 42 HB3 SER 42 -15.145 -0.838 -11.934 326 HG SER 42 HG SER 42 -17.263 -1.432 -13.514 327 H TYR 43 H TYR 43 -17.607 -1.011 -8.956 328 HA TYR 43 HA TYR 43 -16.624 -0.610 -6.976 329 HB2 TYR 43 HB2 TYR 43 -15.786 -2.786 -5.867 330 HB3 TYR 43 HB3 TYR 43 -17.465 -2.633 -6.332 331 HD1 TYR 43 HD1 TYR 43 -18.316 -3.859 -8.326 332 HD2 TYR 43 HD2 TYR 43 -14.414 -4.534 -6.763 333 HE1 TYR 43 HE1 TYR 43 -18.202 -5.994 -9.535 334 HE2 TYR 43 HE2 TYR 43 -14.290 -6.659 -7.981 335 HH TYR 43 HH TYR 43 -16.465 -7.509 -10.425 336 H LYS 44 H LYS 44 -14.214 -2.970 -7.013 337 HA LYS 44 HA LYS 44 -12.156 -0.940 -7.090 338 HB2 LYS 44 HB2 LYS 44 -11.975 -3.931 -6.652 339 HB3 LYS 44 HB3 LYS 44 -10.665 -2.777 -6.423 340 HG2 LYS 44 HG2 LYS 44 -11.775 -1.763 -4.580 341 HG3 LYS 44 HG3 LYS 44 -13.253 -2.673 -4.898 342 HD2 LYS 44 HD2 LYS 44 -12.108 -4.751 -4.359 343 HD3 LYS 44 HD3 LYS 44 -10.606 -3.867 -4.099 344 HE2 LYS 44 HE2 LYS 44 -13.141 -3.477 -2.523 345 HE3 LYS 44 HE3 LYS 44 -11.761 -4.438 -1.998 346 HZ1 LYS 44 HZ1 LYS 44 -10.399 -2.395 -2.183 347 HZ2 LYS 44 HZ2 LYS 44 -11.608 -2.306 -1.000 348 HZ3 LYS 44 HZ3 LYS 44 -11.819 -1.513 -2.479 349 H GLU 45 H GLU 45 -11.751 -0.281 -9.117 350 HA GLU 45 HA GLU 45 -12.204 -1.734 -11.440 351 HB2 GLU 45 HB2 GLU 45 -10.403 0.640 -10.963 352 HB3 GLU 45 HB3 GLU 45 -10.823 0.024 -12.546 353 HG2 GLU 45 HG2 GLU 45 -13.143 0.489 -12.182 354 HG3 GLU 45 HG3 GLU 45 -12.790 0.998 -10.542 355 H ASN 46 H ASN 46 -9.357 -1.631 -9.415 356 HA ASN 46 HA ASN 46 -7.903 -3.274 -11.380 357 HB2 ASN 46 HB2 ASN 46 -6.969 -1.074 -10.249 358 HB3 ASN 46 HB3 ASN 46 -6.625 -2.157 -8.907 359 HD21 ASN 46 HD21 ASN 46 -6.076 -4.425 -10.751 360 HD22 ASN 46 HD22 ASN 46 -4.516 -4.094 -11.421 361 H GLY 47 H GLY 47 -10.065 -4.060 -9.398 362 HA2 GLY 47 HA2 GLY 47 -10.509 -5.964 -8.152 363 HA3 GLY 47 HA3 GLY 47 -8.813 -6.433 -8.330 364 H ASP 48 H ASP 48 -7.638 -4.153 -7.327 365 HA ASP 48 HA ASP 48 -8.464 -2.675 -5.279 366 HB2 ASP 48 HB2 ASP 48 -9.010 -4.822 -4.037 367 HB3 ASP 48 HB3 ASP 48 -7.284 -5.142 -3.987 368 H VAL 49 H VAL 49 -6.869 -1.216 -5.338 369 HA VAL 49 HA VAL 49 -4.366 -1.937 -6.467 370 HB VAL 49 HB VAL 49 -3.810 0.471 -6.106 371 HG11 VAL 49 HG11 VAL 49 -6.429 -0.146 -7.468 372 HG12 VAL 49 HG12 VAL 49 -4.819 -0.262 -8.180 373 HG13 VAL 49 HG13 VAL 49 -5.472 1.312 -7.726 374 HG21 VAL 49 HG21 VAL 49 -6.636 0.632 -5.031 375 HG22 VAL 49 HG22 VAL 49 -5.593 2.000 -5.381 376 HG23 VAL 49 HG23 VAL 49 -5.164 0.873 -4.095 377 H HIS 50 H HIS 50 -3.364 -3.348 -5.084 378 HA HIS 50 HA HIS 50 -2.377 -2.185 -2.567 379 HB2 HIS 50 HB2 HIS 50 -3.891 -4.227 -2.342 380 HB3 HIS 50 HB3 HIS 50 -2.612 -5.147 -3.127 381 HD1 HIS 50 HD1 HIS 50 -3.723 -3.979 0.127 382 HD2 HIS 50 HD2 HIS 50 -0.112 -5.119 -1.591 383 HE1 HIS 50 HE1 HIS 50 -2.168 -4.422 2.052 384 HE2 HIS 50 HE2 HIS 50 -0.073 -5.328 0.987 385 H VAL 51 H VAL 51 -0.488 -1.381 -3.182 386 HA VAL 51 HA VAL 51 1.136 -2.909 -5.094 387 HB VAL 51 HB VAL 51 0.659 0.034 -4.706 388 HG11 VAL 51 HG11 VAL 51 2.313 0.515 -6.390 389 HG12 VAL 51 HG12 VAL 51 2.778 -1.186 -6.449 390 HG13 VAL 51 HG13 VAL 51 3.058 -0.242 -4.983 391 HG21 VAL 51 HG21 VAL 51 0.396 -1.798 -7.077 392 HG22 VAL 51 HG22 VAL 51 0.068 -0.065 -7.080 393 HG23 VAL 51 HG23 VAL 51 -0.924 -1.148 -6.103 394 H LEU 52 H LEU 52 2.987 -3.701 -4.293 395 HA LEU 52 HA LEU 52 4.174 -2.407 -1.951 396 HB2 LEU 52 HB2 LEU 52 5.143 -4.962 -3.224 397 HB3 LEU 52 HB3 LEU 52 5.478 -4.356 -1.615 398 HG LEU 52 HG LEU 52 2.784 -5.335 -2.559 399 HD11 LEU 52 HD11 LEU 52 3.222 -7.240 -1.086 400 HD12 LEU 52 HD12 LEU 52 4.843 -6.618 -0.775 401 HD13 LEU 52 HD13 LEU 52 4.396 -7.141 -2.398 402 HD21 LEU 52 HD21 LEU 52 3.745 -4.521 0.185 403 HD22 LEU 52 HD22 LEU 52 2.158 -5.187 -0.206 404 HD23 LEU 52 HD23 LEU 52 2.629 -3.609 -0.832 405 H THR 53 H THR 53 5.771 -1.061 -2.192 406 HA THR 53 HA THR 53 7.334 -1.095 -4.677 407 HB THR 53 HB THR 53 5.458 0.485 -4.959 408 HG1 THR 53 HG1 THR 53 7.121 1.291 -6.074 409 HG21 THR 53 HG21 THR 53 6.629 1.907 -2.573 410 HG22 THR 53 HG22 THR 53 5.104 1.021 -2.602 411 HG23 THR 53 HG23 THR 53 5.296 2.480 -3.573 412 H ILE 54 H ILE 54 8.979 0.942 -4.359 413 HA ILE 54 HA ILE 54 10.347 0.364 -1.817 414 HB ILE 54 HB ILE 54 11.333 1.027 -4.571 415 HG12 ILE 54 HG12 ILE 54 12.462 -0.908 -2.572 416 HG13 ILE 54 HG13 ILE 54 11.082 -1.312 -3.570 417 HG21 ILE 54 HG21 ILE 54 13.544 1.489 -3.732 418 HG22 ILE 54 HG22 ILE 54 12.976 1.313 -2.071 419 HG23 ILE 54 HG23 ILE 54 12.392 2.647 -3.065 420 HD11 ILE 54 HD11 ILE 54 12.423 -0.916 -5.578 421 HD12 ILE 54 HD12 ILE 54 13.122 -2.161 -4.547 422 HD13 ILE 54 HD13 ILE 54 13.807 -0.538 -4.557 423 H CYS 55 H CYS 55 10.365 1.942 -0.347 424 HA CYS 55 HA CYS 55 9.583 4.614 -1.007 425 HB2 CYS 55 HB2 CYS 55 9.740 5.114 1.301 426 HB3 CYS 55 HB3 CYS 55 9.163 3.455 1.231 427 H GLU 56 H GLU 56 10.943 6.500 -0.398 428 HA GLU 56 HA GLU 56 13.232 6.701 -1.881 429 HB2 GLU 56 HB2 GLU 56 11.994 8.614 -1.000 430 HB3 GLU 56 HB3 GLU 56 12.515 8.225 0.628 431 HG2 GLU 56 HG2 GLU 56 14.824 8.671 -0.002 432 HG3 GLU 56 HG3 GLU 56 14.305 9.053 -1.641 433 H ASP 57 H ASP 57 12.995 6.008 1.581 434 HA ASP 57 HA ASP 57 15.733 6.032 2.159 435 HB2 ASP 57 HB2 ASP 57 14.112 6.189 3.924 436 HB3 ASP 57 HB3 ASP 57 13.436 4.619 3.514 437 H CYS 58 H CYS 58 13.627 3.331 1.176 438 HA CYS 58 HA CYS 58 15.730 1.408 1.440 439 HB2 CYS 58 HB2 CYS 58 13.053 1.245 0.057 440 HB3 CYS 58 HB3 CYS 58 14.198 -0.091 0.107 441 H GLN 59 H GLN 59 14.239 3.011 -1.393 442 HA GLN 59 HA GLN 59 15.852 2.061 -3.400 443 HB2 GLN 59 HB2 GLN 59 13.957 3.657 -3.698 444 HB3 GLN 59 HB3 GLN 59 14.974 4.945 -3.082 445 HG2 GLN 59 HG2 GLN 59 16.172 3.490 -5.305 446 HG3 GLN 59 HG3 GLN 59 14.646 4.258 -5.710 447 HE21 GLN 59 HE21 GLN 59 16.835 5.566 -3.321 448 HE22 GLN 59 HE22 GLN 59 17.310 6.934 -4.248 449 H GLU 60 H GLU 60 16.608 4.474 -0.969 450 HA GLU 60 HA GLU 60 19.035 5.303 -2.151 451 HB2 GLU 60 HB2 GLU 60 17.482 5.866 0.242 452 HB3 GLU 60 HB3 GLU 60 19.199 5.879 0.531 453 HG2 GLU 60 HG2 GLU 60 17.867 7.438 -1.610 454 HG3 GLU 60 HG3 GLU 60 18.250 8.088 -0.027 455 H ALA 61 H ALA 61 18.259 3.052 0.480 456 HA ALA 61 HA ALA 61 20.932 2.364 1.108 457 HB1 ALA 61 HB1 ALA 61 18.399 0.745 1.405 458 HB2 ALA 61 HB2 ALA 61 19.076 1.844 2.606 459 HB3 ALA 61 HB3 ALA 61 19.945 0.374 2.169 460 H LEU 62 H LEU 62 18.587 1.325 -1.166 461 HA LEU 62 HA LEU 62 19.806 -0.929 -2.260 462 HB2 LEU 62 HB2 LEU 62 17.574 0.777 -2.679 463 HB3 LEU 62 HB3 LEU 62 18.368 0.540 -4.220 464 HG LEU 62 HG LEU 62 18.296 -1.943 -3.583 465 HD11 LEU 62 HD11 LEU 62 16.407 -2.592 -2.170 466 HD12 LEU 62 HD12 LEU 62 16.153 -0.894 -1.767 467 HD13 LEU 62 HD13 LEU 62 17.641 -1.703 -1.276 468 HD21 LEU 62 HD21 LEU 62 15.810 -0.432 -4.326 469 HD22 LEU 62 HD22 LEU 62 16.027 -2.170 -4.536 470 HD23 LEU 62 HD23 LEU 62 17.043 -1.038 -5.428 471 H ASP 63 H ASP 63 19.600 2.310 -3.620 472 HA ASP 63 HA ASP 63 21.413 1.970 -5.691 473 HB2 ASP 63 HB2 ASP 63 19.918 3.850 -5.660 474 HB3 ASP 63 HB3 ASP 63 20.635 4.457 -4.170 475 H ARG 64 H ARG 64 21.989 2.795 -2.338 476 HA ARG 64 HA ARG 64 24.700 3.582 -2.665 477 HB2 ARG 64 HB2 ARG 64 23.094 4.066 -0.704 478 HB3 ARG 64 HB3 ARG 64 23.517 2.462 -0.127 479 HG2 ARG 64 HG2 ARG 64 25.585 4.567 -0.687 480 HG3 ARG 64 HG3 ARG 64 24.777 4.418 0.873 481 HD2 ARG 64 HD2 ARG 64 25.604 2.135 1.093 482 HD3 ARG 64 HD3 ARG 64 26.379 2.254 -0.486 483 HE ARG 64 HE ARG 64 27.358 4.350 1.031 484 HH11 ARG 64 HH11 ARG 64 27.384 0.848 1.170 485 HH12 ARG 64 HH12 ARG 64 28.909 0.772 1.994 486 HH21 ARG 64 HH21 ARG 64 29.358 4.253 2.101 487 HH22 ARG 64 HH22 ARG 64 30.031 2.714 2.536 488 H ASN 65 H ASN 65 23.131 0.502 -1.824 489 HA ASN 65 HA ASN 65 25.795 -0.761 -1.923 490 HB2 ASN 65 HB2 ASN 65 23.410 -1.728 -0.342 491 HB3 ASN 65 HB3 ASN 65 25.030 -2.407 -0.319 492 HD21 ASN 65 HD21 ASN 65 22.972 0.132 0.791 493 HD22 ASN 65 HD22 ASN 65 24.075 0.810 1.940 494 HA PRO 66 HA PRO 66 23.842 -2.739 -5.456 495 HB2 PRO 66 HB2 PRO 66 26.086 -3.903 -6.413 496 HB3 PRO 66 HB3 PRO 66 25.743 -2.182 -6.617 497 HG2 PRO 66 HG2 PRO 66 27.518 -3.535 -4.627 498 HG3 PRO 66 HG3 PRO 66 27.807 -2.056 -5.559 499 HD2 PRO 66 HD2 PRO 66 27.012 -2.042 -2.962 500 HD3 PRO 66 HD3 PRO 66 26.597 -0.754 -4.109 501 H HIS 67 H HIS 67 23.609 -3.981 -2.872 502 HA HIS 67 HA HIS 67 23.994 -6.805 -3.627 503 HB2 HIS 67 HB2 HIS 67 23.735 -5.518 -0.908 504 HB3 HIS 67 HB3 HIS 67 23.578 -7.253 -1.156 505 HD1 HIS 67 HD1 HIS 67 25.674 -8.479 -0.737 506 HD2 HIS 67 HD2 HIS 67 26.395 -4.603 -2.062 507 HE1 HIS 67 HE1 HIS 67 28.175 -8.208 -0.712 508 HE2 HIS 67 HE2 HIS 67 28.571 -5.801 -1.337 509 H TYR 68 H TYR 68 21.726 -4.478 -2.219 510 HA TYR 68 HA TYR 68 19.490 -6.274 -2.776 511 HB2 TYR 68 HB2 TYR 68 18.770 -3.564 -1.978 512 HB3 TYR 68 HB3 TYR 68 18.346 -5.089 -1.221 513 HD1 TYR 68 HD1 TYR 68 20.028 -6.136 0.397 514 HD2 TYR 68 HD2 TYR 68 20.353 -2.149 -1.035 515 HE1 TYR 68 HE1 TYR 68 21.539 -5.588 2.258 516 HE2 TYR 68 HE2 TYR 68 21.852 -1.594 0.804 517 HH TYR 68 HH TYR 68 23.265 -3.964 2.803 518 H HIS 69 H HIS 69 21.370 -4.018 -4.307 519 HA HIS 69 HA HIS 69 19.318 -3.517 -6.334 520 HB2 HIS 69 HB2 HIS 69 19.667 -1.500 -4.854 521 HB3 HIS 69 HB3 HIS 69 21.324 -1.452 -5.440 522 HD1 HIS 69 HD1 HIS 69 21.671 0.093 -7.326 523 HD2 HIS 69 HD2 HIS 69 17.801 -1.423 -7.257 524 HE1 HIS 69 HE1 HIS 69 20.471 1.212 -9.232 525 HE2 HIS 69 HE2 HIS 69 18.106 0.351 -9.109 526 H GLU 70 H GLU 70 20.300 -5.184 -7.533 527 HA GLU 70 HA GLU 70 22.515 -4.168 -9.100 528 HB2 GLU 70 HB2 GLU 70 23.548 -6.525 -9.073 529 HB3 GLU 70 HB3 GLU 70 23.847 -5.467 -7.706 530 HG2 GLU 70 HG2 GLU 70 23.419 -7.689 -6.920 531 HG3 GLU 70 HG3 GLU 70 22.088 -6.641 -6.443 532 H TYR 71 H TYR 71 22.882 -5.595 -11.057 533 HA TYR 71 HA TYR 71 20.410 -6.940 -11.852 534 HB2 TYR 71 HB2 TYR 71 20.683 -5.923 -14.149 535 HB3 TYR 71 HB3 TYR 71 20.164 -4.816 -12.889 536 HD1 TYR 71 HD1 TYR 71 21.756 -3.124 -12.001 537 HD2 TYR 71 HD2 TYR 71 22.753 -5.624 -15.292 538 HE1 TYR 71 HE1 TYR 71 23.590 -1.598 -12.596 539 HE2 TYR 71 HE2 TYR 71 24.588 -4.109 -15.894 540 HH TYR 71 HH TYR 71 25.221 -1.761 -15.573 541 H HIS 72 H HIS 72 20.657 -8.742 -13.019 542 HA HIS 72 HA HIS 72 21.648 -10.614 -13.816 543 HB2 HIS 72 HB2 HIS 72 22.518 -8.912 -15.512 544 HB3 HIS 72 HB3 HIS 72 24.016 -8.906 -14.588 545 HD1 HIS 72 HD1 HIS 72 25.542 -10.978 -14.786 546 HD2 HIS 72 HD2 HIS 72 22.025 -11.242 -16.990 547 HE1 HIS 72 HE1 HIS 72 25.832 -12.972 -16.291 548 HE2 HIS 72 HE2 HIS 72 23.734 -13.055 -17.682 549 H THR 73 H THR 73 21.751 -11.054 -11.465 550 HA THR 73 HA THR 73 24.094 -10.744 -9.946 551 HB THR 73 HB THR 73 22.166 -13.031 -9.587 552 HG1 THR 73 HG1 THR 73 21.789 -10.250 -9.060 553 HG21 THR 73 HG21 THR 73 23.691 -11.296 -7.637 554 HG22 THR 73 HG22 THR 73 24.110 -12.946 -8.100 555 HG23 THR 73 HG23 THR 73 22.620 -12.631 -7.209
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