NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
13569 | 1v5k | 10107 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 18.683 3.265 -10.640 2 HA2 GLY 1 1HA GLY 1 21.425 2.772 -10.975 3 HA3 GLY 1 2HA GLY 1 20.826 3.543 -12.430 4 H SER 2 H SER 2 22.704 4.877 -10.863 5 HA SER 2 HA SER 2 23.107 6.802 -9.947 6 HB2 SER 2 1HB SER 2 20.191 7.560 -10.403 7 HB3 SER 2 2HB SER 2 21.542 8.659 -10.203 8 HG SER 2 HG SER 2 21.752 8.574 -12.325 9 H SER 3 H SER 3 22.559 8.268 -7.975 10 HA SER 3 HA SER 3 22.025 8.513 -5.884 11 HB2 SER 3 1HB SER 3 19.792 6.496 -6.392 12 HB3 SER 3 2HB SER 3 19.925 7.509 -4.968 13 HG SER 3 HG SER 3 18.552 8.194 -6.986 14 H GLY 4 H GLY 4 21.123 5.015 -6.356 15 HA2 GLY 4 1HA GLY 4 22.674 3.267 -5.850 16 HA3 GLY 4 2HA GLY 4 23.400 4.286 -4.622 17 H SER 5 H SER 5 23.063 2.647 -2.988 18 HA SER 5 HA SER 5 20.768 3.010 -1.526 19 HB2 SER 5 1HB SER 5 19.477 1.747 -3.090 20 HB3 SER 5 2HB SER 5 20.741 0.553 -3.307 21 HG SER 5 HG SER 5 20.387 -0.109 -1.057 22 H SER 6 H SER 6 21.683 2.797 0.481 23 HA SER 6 HA SER 6 22.696 0.407 1.383 24 HB2 SER 6 1HB SER 6 24.599 1.377 -0.236 25 HB3 SER 6 2HB SER 6 24.998 2.343 1.171 26 HG SER 6 HG SER 6 24.582 -0.435 1.612 27 H GLY 7 H GLY 7 23.620 3.924 1.677 28 HA2 GLY 7 1HA GLY 7 23.079 3.762 4.561 29 HA3 GLY 7 2HA GLY 7 24.013 4.990 3.731 30 H GLN 8 H GLN 8 22.793 6.741 4.627 31 HA GLN 8 HA GLN 8 21.091 8.085 4.915 32 HB2 GLN 8 1HB GLN 8 21.473 7.632 2.075 33 HB3 GLN 8 2HB GLN 8 19.785 7.995 2.374 34 HG2 GLN 8 1HG GLN 8 20.639 10.156 2.169 35 HG3 GLN 8 2HG GLN 8 20.762 9.939 3.904 36 HE21 GLN 8 1HE2 GLN 8 22.295 11.560 1.938 37 HE22 GLN 8 2HE2 GLN 8 23.965 11.172 2.180 38 H ARG 9 H ARG 9 19.818 6.943 6.459 39 HA ARG 9 HA ARG 9 18.148 4.870 5.857 40 HB2 ARG 9 1HB ARG 9 18.480 6.820 8.072 41 HB3 ARG 9 2HB ARG 9 16.845 6.203 7.945 42 HG2 ARG 9 1HG ARG 9 18.338 3.884 7.619 43 HG3 ARG 9 2HG ARG 9 19.341 4.792 8.733 44 HD2 ARG 9 1HD ARG 9 16.929 5.214 9.920 45 HD3 ARG 9 2HD ARG 9 16.572 3.689 9.134 46 HE ARG 9 HE ARG 9 18.007 2.606 10.632 47 HH11 ARG 9 2HH2 ARG 9 18.696 6.057 10.671 48 HH12 ARG 9 1HH2 ARG 9 19.797 5.951 12.004 49 HH21 ARG 9 2HH1 ARG 9 19.460 2.467 12.391 50 HH22 ARG 9 1HH1 ARG 9 20.235 3.896 12.989 51 H ARG 10 H ARG 10 15.545 5.253 6.480 52 HA ARG 10 HA ARG 10 13.620 6.031 5.865 53 HB2 ARG 10 1HB ARG 10 15.264 8.438 5.801 54 HB3 ARG 10 2HB ARG 10 14.093 8.509 4.499 55 HG2 ARG 10 1HG ARG 10 12.899 7.524 7.013 56 HG3 ARG 10 2HG ARG 10 13.609 9.116 7.199 57 HD2 ARG 10 1HD ARG 10 11.570 8.314 5.066 58 HD3 ARG 10 2HD ARG 10 11.234 9.282 6.487 59 HE ARG 10 HE ARG 10 12.511 11.102 5.545 60 HH11 ARG 10 2HH2 ARG 10 12.294 8.313 3.411 61 HH12 ARG 10 1HH2 ARG 10 12.763 9.197 1.997 62 HH21 ARG 10 2HH1 ARG 10 13.130 12.270 3.681 63 HH22 ARG 10 1HH1 ARG 10 13.242 11.463 2.152 64 H HIS 11 H HIS 11 15.733 7.582 3.333 65 HA HIS 11 HA HIS 11 14.102 6.866 1.219 66 HB2 HIS 11 1HB HIS 11 16.724 8.069 1.627 67 HB3 HIS 11 2HB HIS 11 16.695 7.070 0.188 68 HD1 HIS 11 1HD HIS 11 16.610 10.388 0.637 69 HD2 HIS 11 2HD HIS 11 13.660 7.833 -0.900 70 HE1 HIS 11 1HE HIS 11 15.082 11.842 -0.798 71 H ASP 12 H ASP 12 16.192 4.937 3.187 72 HA ASP 12 HA ASP 12 17.157 3.114 1.413 73 HB2 ASP 12 1HB ASP 12 17.486 3.318 3.980 74 HB3 ASP 12 2HB ASP 12 16.007 2.392 4.142 75 H MET 13 H MET 13 14.020 3.129 3.263 76 HA MET 13 HA MET 13 13.098 0.763 2.065 77 HB2 MET 13 1HB MET 13 11.514 3.030 3.397 78 HB3 MET 13 2HB MET 13 10.956 1.381 3.189 79 HG2 MET 13 1HG MET 13 13.379 2.220 4.857 80 HG3 MET 13 2HG MET 13 11.808 1.791 5.505 81 HE1 MET 13 1HE MET 13 10.597 -0.292 4.917 82 HE2 MET 13 2HE MET 13 11.132 -0.866 3.319 83 HE3 MET 13 3HE MET 13 11.366 -1.890 4.757 84 H LEU 14 H LEU 14 12.289 4.272 1.582 85 HA LEU 14 HA LEU 14 10.350 4.115 -0.265 86 HB2 LEU 14 1HB LEU 14 12.698 5.996 -0.485 87 HB3 LEU 14 2HB LEU 14 11.066 6.254 -1.068 88 HG LEU 14 HG LEU 14 12.160 6.455 1.701 89 HD11 LEU 14 1HD1 LEU 14 10.641 8.417 1.758 90 HD12 LEU 14 2HD1 LEU 14 11.835 8.482 0.439 91 HD13 LEU 14 3HD1 LEU 14 10.145 8.044 0.090 92 HD21 LEU 14 1HD2 LEU 14 10.549 4.841 2.221 93 HD22 LEU 14 2HD2 LEU 14 9.734 6.392 2.536 94 HD23 LEU 14 3HD2 LEU 14 9.381 5.488 1.044 95 H ALA 15 H ALA 15 13.901 3.799 -0.910 96 HA ALA 15 HA ALA 15 13.779 3.538 -3.637 97 HB1 ALA 15 1HB ALA 15 15.595 2.155 -1.621 98 HB2 ALA 15 2HB ALA 15 15.917 2.288 -3.366 99 HB3 ALA 15 3HB ALA 15 15.856 3.753 -2.358 100 H TRP 16 H TRP 16 13.335 1.026 -1.072 101 HA TRP 16 HA TRP 16 13.209 -1.218 -2.576 102 HB2 TRP 16 1HB TRP 16 12.998 -1.027 -0.101 103 HB3 TRP 16 2HB TRP 16 11.330 -0.532 -0.311 104 HD1 TRP 16 HD TRP 16 13.400 -3.590 -1.643 105 HE1 TRP 16 1HE TRP 16 12.010 -5.818 -1.381 106 HE3 TRP 16 3HE TRP 16 9.289 -1.404 0.401 107 HZ2 TRP 16 2HZ TRP 16 9.406 -6.403 -0.371 108 HZ3 TRP 16 3HZ TRP 16 7.367 -2.875 0.997 109 HH2 TRP 16 HH TRP 16 7.380 -5.293 0.642 110 H ILE 17 H ILE 17 10.219 0.609 -1.594 111 HA ILE 17 HA ILE 17 8.568 -0.561 -3.458 112 HB ILE 17 HB ILE 17 8.495 2.079 -2.019 113 HG12 ILE 17 1HG1 ILE 17 6.357 0.380 -1.312 114 HG13 ILE 17 2HG1 ILE 17 7.768 -0.655 -1.402 115 HG21 ILE 17 1HG2 ILE 17 6.233 2.432 -2.760 116 HG22 ILE 17 2HG2 ILE 17 7.292 2.295 -4.184 117 HG23 ILE 17 3HG2 ILE 17 6.259 0.925 -3.707 118 HD11 ILE 17 1HD1 ILE 17 7.280 0.576 0.850 119 HD12 ILE 17 2HD1 ILE 17 8.951 0.583 0.239 120 HD13 ILE 17 3HD1 ILE 17 7.920 2.019 0.028 121 H ASN 18 H ASN 18 10.208 2.679 -3.687 122 HA ASN 18 HA ASN 18 9.439 3.467 -6.072 123 HB2 ASN 18 1HB ASN 18 12.217 3.492 -4.823 124 HB3 ASN 18 2HB ASN 18 11.952 4.242 -6.385 125 HD21 ASN 18 1HD2 ASN 18 12.755 6.026 -4.871 126 HD22 ASN 18 2HD2 ASN 18 11.547 7.017 -4.124 127 H GLU 19 H GLU 19 11.990 0.987 -5.374 128 HA GLU 19 HA GLU 19 12.193 0.458 -8.214 129 HB2 GLU 19 1HB GLU 19 13.957 0.141 -5.867 130 HB3 GLU 19 2HB GLU 19 13.956 -1.270 -6.907 131 HG2 GLU 19 1HG GLU 19 14.055 0.970 -8.665 132 HG3 GLU 19 2HG GLU 19 15.166 1.349 -7.364 133 H SER 20 H SER 20 9.729 -0.268 -7.603 134 HA SER 20 HA SER 20 9.896 -3.129 -7.650 135 HB2 SER 20 1HB SER 20 8.134 -1.718 -5.597 136 HB3 SER 20 2HB SER 20 8.188 -3.446 -5.884 137 HG SER 20 HG SER 20 10.645 -3.096 -5.409 138 H LEU 21 H LEU 21 7.860 -0.142 -7.615 139 HA LEU 21 HA LEU 21 6.323 -1.323 -9.814 140 HB2 LEU 21 1HB LEU 21 5.005 0.466 -7.811 141 HB3 LEU 21 2HB LEU 21 4.288 -0.673 -8.934 142 HG LEU 21 HG LEU 21 6.037 -1.804 -6.801 143 HD11 LEU 21 1HD1 LEU 21 3.763 -1.814 -5.407 144 HD12 LEU 21 2HD1 LEU 21 4.980 -0.524 -5.248 145 HD13 LEU 21 3HD1 LEU 21 3.541 -0.270 -6.264 146 HD21 LEU 21 1HD2 LEU 21 3.730 -2.640 -8.477 147 HD22 LEU 21 2HD2 LEU 21 5.188 -3.536 -7.987 148 HD23 LEU 21 3HD2 LEU 21 3.839 -3.338 -6.843 149 H GLN 22 H GLN 22 8.623 0.828 -9.043 150 HA GLN 22 HA GLN 22 9.406 2.591 -10.049 151 HB2 GLN 22 1HB GLN 22 7.414 1.656 -11.979 152 HB3 GLN 22 2HB GLN 22 7.570 3.400 -12.042 153 HG2 GLN 22 1HG GLN 22 10.233 2.458 -11.831 154 HG3 GLN 22 2HG GLN 22 9.457 1.338 -12.934 155 HE21 GLN 22 1HE2 GLN 22 9.580 4.825 -12.218 156 HE22 GLN 22 2HE2 GLN 22 9.640 5.385 -13.856 157 H LEU 23 H LEU 23 8.692 3.452 -7.838 158 HA LEU 23 HA LEU 23 6.530 5.409 -8.156 159 HB2 LEU 23 1HB LEU 23 7.739 4.332 -5.608 160 HB3 LEU 23 2HB LEU 23 6.352 5.394 -5.750 161 HG LEU 23 HG LEU 23 5.526 3.224 -5.275 162 HD11 LEU 23 1HD1 LEU 23 5.160 3.594 -8.258 163 HD12 LEU 23 2HD1 LEU 23 4.059 2.780 -7.120 164 HD13 LEU 23 3HD1 LEU 23 4.311 4.539 -7.011 165 HD21 LEU 23 1HD2 LEU 23 6.655 1.878 -7.669 166 HD22 LEU 23 2HD2 LEU 23 7.778 2.215 -6.329 167 HD23 LEU 23 3HD2 LEU 23 6.314 1.245 -6.041 168 H ASN 24 H ASN 24 7.460 6.943 -5.807 169 HA ASN 24 HA ASN 24 10.088 7.763 -6.244 170 HB2 ASN 24 1HB ASN 24 9.124 8.750 -8.329 171 HB3 ASN 24 2HB ASN 24 7.898 9.577 -7.389 172 HD21 ASN 24 1HD2 ASN 24 8.657 11.530 -8.293 173 HD22 ASN 24 2HD2 ASN 24 10.061 12.337 -7.679 174 H LEU 25 H LEU 25 8.620 7.023 -3.975 175 HA LEU 25 HA LEU 25 7.394 9.258 -2.719 176 HB2 LEU 25 1HB LEU 25 8.384 6.652 -1.555 177 HB3 LEU 25 2HB LEU 25 7.332 7.804 -0.757 178 HG LEU 25 HG LEU 25 6.693 6.108 -3.181 179 HD11 LEU 25 1HD1 LEU 25 4.936 5.178 -1.720 180 HD12 LEU 25 2HD1 LEU 25 6.574 4.905 -1.081 181 HD13 LEU 25 3HD1 LEU 25 5.545 6.175 -0.377 182 HD21 LEU 25 1HD2 LEU 25 4.329 7.220 -2.669 183 HD22 LEU 25 2HD2 LEU 25 5.367 8.564 -2.136 184 HD23 LEU 25 3HD2 LEU 25 5.499 7.943 -3.799 185 H THR 26 H THR 26 8.216 10.696 -1.190 186 HA THR 26 HA THR 26 11.150 10.724 -1.047 187 HB THR 26 HB THR 26 10.243 12.734 -2.047 188 HG1 THR 26 1HG THR 26 10.889 14.202 -0.318 189 HG21 THR 26 1HG2 THR 26 8.150 12.406 0.095 190 HG22 THR 26 2HG2 THR 26 8.649 14.069 -0.298 191 HG23 THR 26 3HG2 THR 26 7.976 13.018 -1.567 192 H LYS 27 H LYS 27 8.183 10.406 0.843 193 HA LYS 27 HA LYS 27 9.894 10.097 3.205 194 HB2 LYS 27 1HB LYS 27 7.139 11.343 3.293 195 HB3 LYS 27 2HB LYS 27 8.317 11.237 4.585 196 HG2 LYS 27 1HG LYS 27 9.882 12.688 3.247 197 HG3 LYS 27 2HG LYS 27 8.660 12.828 1.999 198 HD2 LYS 27 1HD LYS 27 7.472 14.383 3.175 199 HD3 LYS 27 2HD LYS 27 7.581 13.469 4.666 200 HE2 LYS 27 1HE LYS 27 9.439 14.618 5.396 201 HE3 LYS 27 2HE LYS 27 10.159 14.681 3.799 202 HZ1 LYS 27 1HZ LYS 27 9.524 16.789 3.860 203 HZ2 LYS 27 2HZ LYS 27 8.012 16.259 3.544 204 HZ3 LYS 27 3HZ LYS 27 8.462 16.573 5.082 205 H ILE 28 H ILE 28 8.662 8.799 4.966 206 HA ILE 28 HA ILE 28 7.765 6.405 3.687 207 HB ILE 28 HB ILE 28 8.310 7.268 6.507 208 HG12 ILE 28 1HG1 ILE 28 10.086 6.533 4.770 209 HG13 ILE 28 2HG1 ILE 28 10.153 5.875 6.393 210 HG21 ILE 28 1HG2 ILE 28 7.819 4.587 6.743 211 HG22 ILE 28 2HG2 ILE 28 6.702 5.886 7.227 212 HG23 ILE 28 3HG2 ILE 28 6.522 5.102 5.639 213 HD11 ILE 28 1HD1 ILE 28 8.459 4.334 4.479 214 HD12 ILE 28 2HD1 ILE 28 10.205 4.336 4.135 215 HD13 ILE 28 3HD1 ILE 28 9.609 3.751 5.706 216 H GLU 29 H GLU 29 6.313 9.039 5.674 217 HA GLU 29 HA GLU 29 3.880 7.971 6.121 218 HB2 GLU 29 1HB GLU 29 5.073 10.592 6.128 219 HB3 GLU 29 2HB GLU 29 3.493 10.728 5.382 220 HG2 GLU 29 1HG GLU 29 2.611 9.319 7.387 221 HG3 GLU 29 2HG GLU 29 4.158 9.637 8.146 222 H GLN 30 H GLN 30 5.282 8.982 3.057 223 HA GLN 30 HA GLN 30 3.078 9.587 1.599 224 HB2 GLN 30 1HB GLN 30 5.712 8.263 0.938 225 HB3 GLN 30 2HB GLN 30 4.491 8.386 -0.313 226 HG2 GLN 30 1HG GLN 30 4.990 10.884 1.264 227 HG3 GLN 30 2HG GLN 30 6.306 10.362 0.231 228 HE21 GLN 30 1HE2 GLN 30 5.752 12.451 -0.782 229 HE22 GLN 30 2HE2 GLN 30 4.569 12.483 -2.047 230 H LEU 31 H LEU 31 3.949 6.540 3.060 231 HA LEU 31 HA LEU 31 2.180 5.053 1.293 232 HB2 LEU 31 1HB LEU 31 3.558 3.834 3.638 233 HB3 LEU 31 2HB LEU 31 3.169 3.142 2.076 234 HG LEU 31 HG LEU 31 5.095 5.329 1.854 235 HD11 LEU 31 1HD1 LEU 31 6.281 2.926 3.174 236 HD12 LEU 31 2HD1 LEU 31 6.855 4.610 3.121 237 HD13 LEU 31 3HD1 LEU 31 5.506 4.163 4.193 238 HD21 LEU 31 1HD2 LEU 31 6.308 3.689 0.509 239 HD22 LEU 31 2HD2 LEU 31 5.197 2.408 1.050 240 HD23 LEU 31 3HD2 LEU 31 4.589 3.752 0.053 241 H CYS 32 H CYS 32 1.070 7.210 2.919 242 HA CYS 32 HA CYS 32 -0.273 5.785 5.057 243 HB2 CYS 32 1HB CYS 32 -1.191 8.005 5.652 244 HB3 CYS 32 2HB CYS 32 0.561 7.985 5.620 245 HG CYS 32 HG CYS 32 -1.300 9.971 4.332 246 H SER 33 H SER 33 -0.667 5.085 2.175 247 HA SER 33 HA SER 33 -3.475 5.855 1.972 248 HB2 SER 33 1HB SER 33 -3.086 5.282 -0.551 249 HB3 SER 33 2HB SER 33 -2.517 6.822 0.061 250 HG SER 33 HG SER 33 -0.968 5.513 -1.284 251 H GLY 34 H GLY 34 -1.117 3.325 0.811 252 HA2 GLY 34 1HA GLY 34 -1.295 1.067 1.526 253 HA3 GLY 34 2HA GLY 34 -3.027 1.265 1.710 254 H ALA 35 H ALA 35 -0.749 2.137 -0.989 255 HA ALA 35 HA ALA 35 -2.417 0.452 -2.731 256 HB1 ALA 35 1HB ALA 35 -0.917 2.682 -3.968 257 HB2 ALA 35 2HB ALA 35 -2.597 2.152 -4.223 258 HB3 ALA 35 3HB ALA 35 -2.192 3.192 -2.835 259 H ALA 36 H ALA 36 0.854 1.985 -2.328 260 HA ALA 36 HA ALA 36 2.286 0.645 -4.150 261 HB1 ALA 36 1HB ALA 36 2.758 1.927 -1.576 262 HB2 ALA 36 2HB ALA 36 3.885 0.573 -1.834 263 HB3 ALA 36 3HB ALA 36 3.788 1.890 -3.028 264 H TYR 37 H TYR 37 1.679 -0.587 -0.778 265 HA TYR 37 HA TYR 37 2.858 -3.022 -1.010 266 HB2 TYR 37 1HB TYR 37 0.104 -2.394 0.218 267 HB3 TYR 37 2HB TYR 37 1.221 -3.618 0.787 268 HD1 TYR 37 1HD TYR 37 3.493 -2.827 1.727 269 HD2 TYR 37 2HD TYR 37 0.171 -0.207 1.095 270 HE1 TYR 37 1HE TYR 37 4.505 -1.144 3.341 271 HE2 TYR 37 2HE TYR 37 1.194 1.468 2.712 272 HH TYR 37 HH TYR 37 3.690 0.663 4.799 273 H CYS 38 H CYS 38 -0.659 -2.341 -1.669 274 HA CYS 38 HA CYS 38 -1.449 -4.773 -2.454 275 HB2 CYS 38 1HB CYS 38 -2.262 -2.013 -3.132 276 HB3 CYS 38 2HB CYS 38 -2.754 -3.220 -4.303 277 HG CYS 38 HG CYS 38 -3.753 -2.554 -1.359 278 H GLN 39 H GLN 39 -0.248 -2.224 -4.773 279 HA GLN 39 HA GLN 39 -0.079 -3.758 -6.968 280 HB2 GLN 39 1HB GLN 39 0.814 -1.206 -6.171 281 HB3 GLN 39 2HB GLN 39 2.261 -2.000 -6.760 282 HG2 GLN 39 1HG GLN 39 0.452 -2.740 -8.705 283 HG3 GLN 39 2HG GLN 39 -0.191 -1.175 -8.249 284 HE21 GLN 39 1HE2 GLN 39 1.879 -2.739 -10.252 285 HE22 GLN 39 2HE2 GLN 39 2.971 -1.465 -10.680 286 H PHE 40 H PHE 40 2.493 -3.327 -4.444 287 HA PHE 40 HA PHE 40 4.443 -4.861 -5.595 288 HB2 PHE 40 1HB PHE 40 3.899 -3.535 -3.181 289 HB3 PHE 40 2HB PHE 40 3.966 -5.205 -2.652 290 HD1 PHE 40 2HD PHE 40 6.078 -6.095 -4.706 291 HD2 PHE 40 1HD PHE 40 5.857 -2.779 -2.067 292 HE1 PHE 40 2HE PHE 40 8.585 -5.975 -4.647 293 HE2 PHE 40 1HE PHE 40 8.364 -2.660 -2.008 294 HZ PHE 40 HZ PHE 40 9.697 -4.259 -3.298 295 H MET 41 H MET 41 1.682 -5.902 -3.499 296 HA MET 41 HA MET 41 2.455 -8.531 -3.258 297 HB2 MET 41 1HB MET 41 -0.054 -6.913 -3.000 298 HB3 MET 41 2HB MET 41 -0.328 -8.623 -3.264 299 HG2 MET 41 1HG MET 41 1.491 -7.492 -1.082 300 HG3 MET 41 2HG MET 41 -0.166 -7.996 -0.820 301 HE1 MET 41 1HE MET 41 -0.905 -9.803 -0.251 302 HE2 MET 41 2HE MET 41 -0.702 -11.207 -1.326 303 HE3 MET 41 3HE MET 41 0.033 -11.214 0.295 304 H ASP 42 H ASP 42 -0.033 -7.148 -5.535 305 HA ASP 42 HA ASP 42 -0.670 -9.318 -6.907 306 HB2 ASP 42 1HB ASP 42 -1.692 -7.263 -7.536 307 HB3 ASP 42 2HB ASP 42 -0.153 -6.471 -7.807 308 H MET 43 H MET 43 2.310 -7.306 -7.264 309 HA MET 43 HA MET 43 3.274 -8.566 -9.541 310 HB2 MET 43 1HB MET 43 4.075 -6.530 -7.677 311 HB3 MET 43 2HB MET 43 5.404 -7.671 -7.737 312 HG2 MET 43 1HG MET 43 4.212 -6.901 -10.382 313 HG3 MET 43 2HG MET 43 5.092 -5.641 -9.540 314 HE1 MET 43 1HE MET 43 8.584 -7.043 -9.022 315 HE2 MET 43 2HE MET 43 7.253 -6.080 -8.338 316 HE3 MET 43 3HE MET 43 7.391 -7.811 -7.948 317 H LEU 44 H LEU 44 3.636 -9.276 -6.034 318 HA LEU 44 HA LEU 44 5.524 -11.380 -6.538 319 HB2 LEU 44 1HB LEU 44 4.059 -10.501 -4.047 320 HB3 LEU 44 2HB LEU 44 5.263 -11.774 -4.095 321 HG LEU 44 HG LEU 44 5.721 -8.847 -4.732 322 HD11 LEU 44 1HD1 LEU 44 6.479 -8.543 -2.638 323 HD12 LEU 44 2HD1 LEU 44 5.469 -9.962 -2.270 324 HD13 LEU 44 3HD1 LEU 44 7.216 -10.162 -2.551 325 HD21 LEU 44 1HD2 LEU 44 7.429 -11.266 -5.128 326 HD22 LEU 44 2HD2 LEU 44 7.279 -9.791 -6.112 327 HD23 LEU 44 3HD2 LEU 44 8.200 -9.754 -4.590 328 H PHE 45 H PHE 45 2.173 -11.269 -5.122 329 HA PHE 45 HA PHE 45 1.833 -13.986 -6.179 330 HB2 PHE 45 1HB PHE 45 0.416 -12.453 -3.916 331 HB3 PHE 45 2HB PHE 45 0.127 -14.134 -4.317 332 HD1 PHE 45 2HD PHE 45 1.873 -15.833 -3.855 333 HD2 PHE 45 1HD PHE 45 2.307 -11.801 -2.604 334 HE1 PHE 45 2HE PHE 45 3.679 -16.524 -2.254 335 HE2 PHE 45 1HE PHE 45 4.112 -12.492 -1.003 336 HZ PHE 45 HZ PHE 45 4.777 -14.846 -0.847 337 HA PRO 46 HA PRO 46 -1.086 -11.854 -8.714 338 HB2 PRO 46 1HB PRO 46 -1.320 -13.797 -10.621 339 HB3 PRO 46 2HB PRO 46 -0.101 -12.539 -10.679 340 HG2 PRO 46 1HG PRO 46 0.212 -15.392 -9.970 341 HG3 PRO 46 2HG PRO 46 1.442 -14.237 -10.443 342 HD2 PRO 46 1HD PRO 46 0.898 -15.173 -7.787 343 HD3 PRO 46 2HD PRO 46 2.048 -13.934 -8.246 344 H GLY 47 H GLY 47 -3.091 -11.572 -7.993 345 HA2 GLY 47 1HA GLY 47 -5.295 -12.305 -7.900 346 HA3 GLY 47 2HA GLY 47 -4.763 -13.974 -7.931 347 H SER 48 H SER 48 -3.176 -11.589 -5.817 348 HA SER 48 HA SER 48 -4.285 -13.061 -3.570 349 HB2 SER 48 1HB SER 48 -2.345 -12.218 -2.295 350 HB3 SER 48 2HB SER 48 -1.824 -13.055 -3.743 351 HG SER 48 HG SER 48 -1.665 -10.905 -4.788 352 H ILE 49 H ILE 49 -3.904 -9.845 -5.066 353 HA ILE 49 HA ILE 49 -5.581 -8.747 -2.917 354 HB ILE 49 HB ILE 49 -4.005 -6.869 -4.539 355 HG12 ILE 49 1HG1 ILE 49 -2.459 -8.859 -4.240 356 HG13 ILE 49 2HG1 ILE 49 -1.876 -7.316 -3.647 357 HG21 ILE 49 1HG2 ILE 49 -4.967 -7.188 -1.737 358 HG22 ILE 49 2HG2 ILE 49 -3.510 -6.202 -2.008 359 HG23 ILE 49 3HG2 ILE 49 -5.033 -5.782 -2.827 360 HD11 ILE 49 1HD1 ILE 49 -3.398 -9.098 -1.743 361 HD12 ILE 49 2HD1 ILE 49 -1.707 -9.495 -2.132 362 HD13 ILE 49 3HD1 ILE 49 -2.106 -7.923 -1.400 363 H ALA 50 H ALA 50 -6.534 -6.471 -4.018 364 HA ALA 50 HA ALA 50 -7.809 -7.399 -6.501 365 HB1 ALA 50 1HB ALA 50 -8.951 -6.779 -3.944 366 HB2 ALA 50 2HB ALA 50 -9.462 -5.524 -5.100 367 HB3 ALA 50 3HB ALA 50 -9.784 -7.240 -5.448 368 H LEU 51 H LEU 51 -5.667 -6.223 -7.224 369 HA LEU 51 HA LEU 51 -5.254 -3.552 -6.938 370 HB2 LEU 51 1HB LEU 51 -4.366 -5.655 -8.614 371 HB3 LEU 51 2HB LEU 51 -4.761 -4.305 -9.660 372 HG LEU 51 HG LEU 51 -2.779 -4.348 -7.376 373 HD11 LEU 51 1HD1 LEU 51 -2.578 -4.218 -10.370 374 HD12 LEU 51 2HD1 LEU 51 -1.301 -3.511 -9.350 375 HD13 LEU 51 3HD1 LEU 51 -1.695 -5.242 -9.212 376 HD21 LEU 51 1HD2 LEU 51 -2.583 -1.886 -8.726 377 HD22 LEU 51 2HD2 LEU 51 -4.310 -2.115 -8.360 378 HD23 LEU 51 3HD2 LEU 51 -3.106 -2.179 -7.050 379 H LYS 52 H LYS 52 -7.881 -5.193 -8.595 380 HA LYS 52 HA LYS 52 -8.621 -2.767 -10.008 381 HB2 LYS 52 1HB LYS 52 -10.038 -4.084 -11.278 382 HB3 LYS 52 2HB LYS 52 -8.712 -5.180 -10.945 383 HG2 LYS 52 1HG LYS 52 -10.225 -6.630 -10.079 384 HG3 LYS 52 2HG LYS 52 -10.437 -5.520 -8.739 385 HD2 LYS 52 1HD LYS 52 -12.053 -4.284 -10.532 386 HD3 LYS 52 2HD LYS 52 -12.157 -5.911 -11.176 387 HE2 LYS 52 1HE LYS 52 -12.457 -6.354 -8.442 388 HE3 LYS 52 2HE LYS 52 -13.260 -4.810 -8.649 389 HZ1 LYS 52 1HZ LYS 52 -14.162 -7.331 -9.400 390 HZ2 LYS 52 2HZ LYS 52 -14.947 -5.903 -9.505 391 HZ3 LYS 52 3HZ LYS 52 -14.029 -6.423 -10.751 392 H LYS 53 H LYS 53 -8.511 -2.406 -7.225 393 HA LYS 53 HA LYS 53 -11.218 -1.620 -6.764 394 HB2 LYS 53 1HB LYS 53 -10.802 -4.168 -6.009 395 HB3 LYS 53 2HB LYS 53 -10.206 -3.365 -4.570 396 HG2 LYS 53 1HG LYS 53 -12.310 -2.197 -4.238 397 HG3 LYS 53 2HG LYS 53 -12.895 -2.663 -5.823 398 HD2 LYS 53 1HD LYS 53 -13.987 -4.212 -4.430 399 HD3 LYS 53 2HD LYS 53 -12.597 -5.132 -4.972 400 HE2 LYS 53 1HE LYS 53 -11.404 -4.732 -2.896 401 HE3 LYS 53 2HE LYS 53 -12.557 -3.514 -2.387 402 HZ1 LYS 53 1HZ LYS 53 -14.147 -5.110 -1.983 403 HZ2 LYS 53 2HZ LYS 53 -13.436 -6.250 -2.912 404 HZ3 LYS 53 3HZ LYS 53 -12.784 -5.849 -1.470 405 H VAL 54 H VAL 54 -7.895 -2.156 -5.459 406 HA VAL 54 HA VAL 54 -7.895 -0.356 -3.422 407 HB VAL 54 HB VAL 54 -6.065 -1.837 -3.891 408 HG11 VAL 54 1HG1 VAL 54 -6.271 -1.644 -6.411 409 HG12 VAL 54 2HG1 VAL 54 -5.336 -0.134 -6.290 410 HG13 VAL 54 3HG1 VAL 54 -4.610 -1.675 -5.772 411 HG21 VAL 54 1HG2 VAL 54 -4.185 -0.347 -3.516 412 HG22 VAL 54 2HG2 VAL 54 -5.108 1.033 -4.160 413 HG23 VAL 54 3HG2 VAL 54 -5.609 0.259 -2.637 414 H LYS 55 H LYS 55 -7.345 1.893 -3.205 415 HA LYS 55 HA LYS 55 -8.116 3.408 -5.584 416 HB2 LYS 55 1HB LYS 55 -8.346 3.852 -2.631 417 HB3 LYS 55 2HB LYS 55 -8.221 5.252 -3.676 418 HG2 LYS 55 1HG LYS 55 -10.157 3.079 -4.467 419 HG3 LYS 55 2HG LYS 55 -10.593 4.108 -3.118 420 HD2 LYS 55 1HD LYS 55 -11.324 5.633 -4.632 421 HD3 LYS 55 2HD LYS 55 -9.646 5.926 -5.043 422 HE2 LYS 55 1HE LYS 55 -9.704 4.444 -6.906 423 HE3 LYS 55 2HE LYS 55 -11.119 3.598 -6.314 424 HZ1 LYS 55 1HZ LYS 55 -11.997 6.114 -6.564 425 HZ2 LYS 55 2HZ LYS 55 -10.966 6.006 -7.826 426 HZ3 LYS 55 3HZ LYS 55 -12.198 4.943 -7.685 427 H PHE 56 H PHE 56 -6.329 3.784 -6.826 428 HA PHE 56 HA PHE 56 -3.830 4.386 -5.493 429 HB2 PHE 56 1HB PHE 56 -4.877 3.802 -8.294 430 HB3 PHE 56 2HB PHE 56 -3.323 4.600 -8.154 431 HD1 PHE 56 2HD PHE 56 -4.506 2.105 -5.719 432 HD2 PHE 56 1HD PHE 56 -2.051 2.814 -9.107 433 HE1 PHE 56 2HE PHE 56 -3.393 -0.120 -5.379 434 HE2 PHE 56 1HE PHE 56 -0.939 0.589 -8.767 435 HZ PHE 56 HZ PHE 56 -1.623 -0.851 -6.907 436 H GLN 57 H GLN 57 -6.148 6.281 -5.290 437 HA GLN 57 HA GLN 57 -4.665 8.597 -5.980 438 HB2 GLN 57 1HB GLN 57 -6.707 9.576 -7.281 439 HB3 GLN 57 2HB GLN 57 -5.602 8.516 -8.133 440 HG2 GLN 57 1HG GLN 57 -7.102 6.660 -8.029 441 HG3 GLN 57 2HG GLN 57 -8.043 7.372 -6.734 442 HE21 GLN 57 1HE2 GLN 57 -9.878 8.279 -7.247 443 HE22 GLN 57 2HE2 GLN 57 -10.351 8.891 -8.798 444 H ALA 58 H ALA 58 -5.855 7.143 -3.635 445 HA ALA 58 HA ALA 58 -8.146 8.569 -2.787 446 HB1 ALA 58 1HB ALA 58 -6.400 7.424 -0.704 447 HB2 ALA 58 2HB ALA 58 -8.095 7.056 -1.103 448 HB3 ALA 58 3HB ALA 58 -6.778 6.290 -2.023 449 H LYS 59 H LYS 59 -8.331 10.542 -1.817 450 HA LYS 59 HA LYS 59 -5.802 11.852 -1.099 451 HB2 LYS 59 1HB LYS 59 -6.683 13.056 -2.901 452 HB3 LYS 59 2HB LYS 59 -8.338 12.880 -2.353 453 HG2 LYS 59 1HG LYS 59 -8.202 14.685 -0.948 454 HG3 LYS 59 2HG LYS 59 -6.605 14.245 -0.375 455 HD2 LYS 59 1HD LYS 59 -6.318 16.310 -1.564 456 HD3 LYS 59 2HD LYS 59 -5.676 15.066 -2.618 457 HE2 LYS 59 1HE LYS 59 -8.595 15.742 -2.919 458 HE3 LYS 59 2HE LYS 59 -7.438 16.931 -3.486 459 HZ1 LYS 59 1HZ LYS 59 -7.062 15.677 -5.236 460 HZ2 LYS 59 2HZ LYS 59 -6.640 14.390 -4.323 461 HZ3 LYS 59 3HZ LYS 59 -8.201 14.613 -4.748 462 H LEU 60 H LEU 60 -9.036 10.840 -0.085 463 HA LEU 60 HA LEU 60 -8.810 12.342 2.385 464 HB2 LEU 60 1HB LEU 60 -10.987 10.392 1.707 465 HB3 LEU 60 2HB LEU 60 -11.039 11.781 2.774 466 HG LEU 60 HG LEU 60 -11.120 11.715 -0.237 467 HD11 LEU 60 1HD1 LEU 60 -12.963 12.433 1.975 468 HD12 LEU 60 2HD1 LEU 60 -13.019 13.459 0.521 469 HD13 LEU 60 3HD1 LEU 60 -13.294 11.706 0.384 470 HD21 LEU 60 1HD2 LEU 60 -11.177 14.369 0.247 471 HD22 LEU 60 2HD2 LEU 60 -10.017 13.850 1.494 472 HD23 LEU 60 3HD2 LEU 60 -9.710 13.475 -0.219 473 H GLU 61 H GLU 61 -9.161 11.153 4.497 474 HA GLU 61 HA GLU 61 -7.232 9.102 4.631 475 HB2 GLU 61 1HB GLU 61 -8.419 10.941 6.416 476 HB3 GLU 61 2HB GLU 61 -8.899 9.369 7.026 477 HG2 GLU 61 1HG GLU 61 -6.710 8.714 7.490 478 HG3 GLU 61 2HG GLU 61 -6.028 9.670 6.190 479 H HIS 62 H HIS 62 -10.793 9.219 5.382 480 HA HIS 62 HA HIS 62 -11.285 6.705 6.061 481 HB2 HIS 62 1HB HIS 62 -13.505 6.957 5.154 482 HB3 HIS 62 2HB HIS 62 -12.971 8.476 5.845 483 HD1 HIS 62 1HD HIS 62 -14.387 7.044 2.803 484 HD2 HIS 62 2HD HIS 62 -12.047 10.392 3.756 485 HE1 HIS 62 1HE HIS 62 -14.571 8.633 0.815 486 H GLU 63 H GLU 63 -10.459 7.856 2.772 487 HA GLU 63 HA GLU 63 -11.091 5.494 1.461 488 HB2 GLU 63 1HB GLU 63 -8.891 7.447 0.673 489 HB3 GLU 63 2HB GLU 63 -9.806 6.397 -0.392 490 HG2 GLU 63 1HG GLU 63 -11.587 8.097 1.214 491 HG3 GLU 63 2HG GLU 63 -10.441 9.061 0.305 492 H TYR 64 H TYR 64 -7.869 6.757 2.596 493 HA TYR 64 HA TYR 64 -6.197 4.819 1.917 494 HB2 TYR 64 1HB TYR 64 -6.631 6.004 4.731 495 HB3 TYR 64 2HB TYR 64 -5.114 5.325 4.176 496 HD1 TYR 64 1HD TYR 64 -6.046 6.757 1.285 497 HD2 TYR 64 2HD TYR 64 -5.036 7.979 5.259 498 HE1 TYR 64 1HE TYR 64 -5.344 9.040 0.413 499 HE2 TYR 64 2HE TYR 64 -4.338 10.258 4.373 500 HH TYR 64 HH TYR 64 -5.212 11.390 1.429 501 H ILE 65 H ILE 65 -8.236 4.634 4.927 502 HA ILE 65 HA ILE 65 -7.490 2.230 5.857 503 HB ILE 65 HB ILE 65 -10.116 3.654 5.772 504 HG12 ILE 65 1HG1 ILE 65 -9.281 3.063 8.393 505 HG13 ILE 65 2HG1 ILE 65 -7.815 3.481 7.529 506 HG21 ILE 65 1HG2 ILE 65 -9.653 0.835 6.727 507 HG22 ILE 65 2HG2 ILE 65 -10.892 1.877 7.467 508 HG23 ILE 65 3HG2 ILE 65 -10.977 1.487 5.733 509 HD11 ILE 65 1HD1 ILE 65 -10.209 5.221 7.026 510 HD12 ILE 65 2HD1 ILE 65 -9.427 5.352 8.619 511 HD13 ILE 65 3HD1 ILE 65 -8.488 5.662 7.139 512 H GLN 66 H GLN 66 -10.221 2.660 3.490 513 HA GLN 66 HA GLN 66 -10.724 0.080 3.007 514 HB2 GLN 66 1HB GLN 66 -10.708 2.448 1.099 515 HB3 GLN 66 2HB GLN 66 -11.318 0.878 0.617 516 HG2 GLN 66 1HG GLN 66 -12.594 1.239 3.055 517 HG3 GLN 66 2HG GLN 66 -12.510 2.885 2.460 518 HE21 GLN 66 1HE2 GLN 66 -14.866 1.400 2.825 519 HE22 GLN 66 2HE2 GLN 66 -15.644 1.166 1.295 520 H ASN 67 H ASN 67 -8.342 2.094 1.127 521 HA ASN 67 HA ASN 67 -7.414 0.333 -0.593 522 HB2 ASN 67 1HB ASN 67 -5.651 2.107 1.179 523 HB3 ASN 67 2HB ASN 67 -5.165 1.442 -0.368 524 HD21 ASN 67 1HD2 ASN 67 -4.887 3.327 -1.428 525 HD22 ASN 67 2HD2 ASN 67 -6.155 4.434 -1.838 526 H PHE 68 H PHE 68 -6.317 0.659 2.865 527 HA PHE 68 HA PHE 68 -4.528 -1.501 2.764 528 HB2 PHE 68 1HB PHE 68 -6.091 0.000 4.937 529 HB3 PHE 68 2HB PHE 68 -4.962 -1.272 5.361 530 HD1 PHE 68 1HD PHE 68 -2.531 -1.000 4.529 531 HD2 PHE 68 2HD PHE 68 -5.332 2.185 4.650 532 HE1 PHE 68 1HE PHE 68 -0.647 0.658 4.489 533 HE2 PHE 68 2HE PHE 68 -3.448 3.844 4.610 534 HZ PHE 68 HZ PHE 68 -1.128 3.060 4.530 535 H LYS 69 H LYS 69 -7.976 -1.190 3.807 536 HA LYS 69 HA LYS 69 -8.383 -3.589 4.974 537 HB2 LYS 69 1HB LYS 69 -10.209 -2.100 3.064 538 HB3 LYS 69 2HB LYS 69 -10.721 -3.416 4.102 539 HG2 LYS 69 1HG LYS 69 -9.503 -1.890 5.982 540 HG3 LYS 69 2HG LYS 69 -9.900 -0.618 4.843 541 HD2 LYS 69 1HD LYS 69 -12.103 -0.681 5.404 542 HD3 LYS 69 2HD LYS 69 -12.180 -2.418 5.181 543 HE2 LYS 69 1HE LYS 69 -12.216 -2.728 7.427 544 HE3 LYS 69 2HE LYS 69 -10.662 -1.933 7.580 545 HZ1 LYS 69 1HZ LYS 69 -11.739 0.149 7.755 546 HZ2 LYS 69 2HZ LYS 69 -13.203 -0.475 7.388 547 HZ3 LYS 69 3HZ LYS 69 -12.483 -0.859 8.803 548 H ILE 70 H ILE 70 -8.217 -2.897 1.434 549 HA ILE 70 HA ILE 70 -8.804 -5.550 0.679 550 HB ILE 70 HB ILE 70 -7.486 -3.249 -0.760 551 HG12 ILE 70 1HG1 ILE 70 -10.298 -4.369 -0.955 552 HG13 ILE 70 2HG1 ILE 70 -9.851 -2.942 -0.041 553 HG21 ILE 70 1HG2 ILE 70 -7.143 -5.831 -1.504 554 HG22 ILE 70 2HG2 ILE 70 -8.670 -5.452 -2.336 555 HG23 ILE 70 3HG2 ILE 70 -7.223 -4.461 -2.638 556 HD11 ILE 70 1HD1 ILE 70 -10.722 -2.708 -2.535 557 HD12 ILE 70 2HD1 ILE 70 -9.394 -1.674 -1.958 558 HD13 ILE 70 3HD1 ILE 70 -9.038 -3.111 -2.946 559 H LEU 71 H LEU 71 -5.679 -3.695 0.802 560 HA LEU 71 HA LEU 71 -3.999 -5.712 0.098 561 HB2 LEU 71 1HB LEU 71 -3.339 -3.399 0.403 562 HB3 LEU 71 2HB LEU 71 -3.589 -3.519 2.133 563 HG LEU 71 HG LEU 71 -1.184 -3.675 1.096 564 HD11 LEU 71 1HD1 LEU 71 -2.306 -4.342 3.528 565 HD12 LEU 71 2HD1 LEU 71 -1.386 -5.802 3.093 566 HD13 LEU 71 3HD1 LEU 71 -0.567 -4.224 3.169 567 HD21 LEU 71 1HD2 LEU 71 -2.056 -5.673 -0.352 568 HD22 LEU 71 2HD2 LEU 71 -0.416 -5.708 0.338 569 HD23 LEU 71 3HD2 LEU 71 -1.729 -6.623 1.116 570 H GLN 72 H GLN 72 -5.281 -4.976 3.406 571 HA GLN 72 HA GLN 72 -3.914 -6.874 4.769 572 HB2 GLN 72 1HB GLN 72 -5.851 -5.068 5.394 573 HB3 GLN 72 2HB GLN 72 -6.803 -6.536 5.484 574 HG2 GLN 72 1HG GLN 72 -4.181 -6.038 6.971 575 HG3 GLN 72 2HG GLN 72 -5.780 -5.964 7.685 576 HE21 GLN 72 1HE2 GLN 72 -3.124 -7.835 7.258 577 HE22 GLN 72 2HE2 GLN 72 -3.780 -9.421 7.489 578 H ALA 73 H ALA 73 -6.814 -7.237 2.692 579 HA ALA 73 HA ALA 73 -7.451 -9.855 3.461 580 HB1 ALA 73 1HB ALA 73 -9.006 -9.739 1.739 581 HB2 ALA 73 2HB ALA 73 -8.710 -8.009 2.037 582 HB3 ALA 73 3HB ALA 73 -7.914 -8.826 0.670 583 H GLY 74 H GLY 74 -4.900 -8.476 1.465 584 HA2 GLY 74 1HA GLY 74 -4.348 -10.737 -0.140 585 HA3 GLY 74 2HA GLY 74 -3.271 -9.403 0.220 586 H PHE 75 H PHE 75 -3.885 -10.066 3.262 587 HA PHE 75 HA PHE 75 -1.698 -11.974 3.444 588 HB2 PHE 75 1HB PHE 75 -3.147 -9.975 5.248 589 HB3 PHE 75 2HB PHE 75 -2.131 -11.201 5.979 590 HD1 PHE 75 2HD PHE 75 -1.149 -9.915 2.728 591 HD2 PHE 75 1HD PHE 75 -0.739 -9.395 6.919 592 HE1 PHE 75 2HE PHE 75 0.867 -8.468 2.351 593 HE2 PHE 75 1HE PHE 75 1.278 -7.949 6.543 594 HZ PHE 75 HZ PHE 75 2.057 -7.502 4.263 595 H LYS 76 H LYS 76 -5.016 -11.411 4.816 596 HA LYS 76 HA LYS 76 -5.120 -13.864 6.161 597 HB2 LYS 76 1HB LYS 76 -7.332 -13.307 6.652 598 HB3 LYS 76 2HB LYS 76 -6.537 -11.755 6.491 599 HG2 LYS 76 1HG LYS 76 -8.110 -11.202 4.953 600 HG3 LYS 76 2HG LYS 76 -7.359 -12.352 3.865 601 HD2 LYS 76 1HD LYS 76 -8.916 -14.051 4.352 602 HD3 LYS 76 2HD LYS 76 -9.303 -13.394 5.930 603 HE2 LYS 76 1HE LYS 76 -10.380 -11.399 4.738 604 HE3 LYS 76 2HE LYS 76 -10.143 -12.251 3.225 605 HZ1 LYS 76 1HZ LYS 76 -11.913 -13.460 3.657 606 HZ2 LYS 76 2HZ LYS 76 -11.333 -13.956 5.100 607 HZ3 LYS 76 3HZ LYS 76 -12.202 -12.577 5.000 608 H ARG 77 H ARG 77 -5.147 -13.100 2.809 609 HA ARG 77 HA ARG 77 -6.799 -15.311 2.096 610 HB2 ARG 77 1HB ARG 77 -5.283 -13.151 0.639 611 HB3 ARG 77 2HB ARG 77 -5.641 -14.611 -0.260 612 HG2 ARG 77 1HG ARG 77 -8.074 -14.368 0.384 613 HG3 ARG 77 2HG ARG 77 -7.684 -12.858 1.184 614 HD2 ARG 77 1HD ARG 77 -6.591 -12.255 -1.191 615 HD3 ARG 77 2HD ARG 77 -7.689 -13.492 -1.772 616 HE ARG 77 HE ARG 77 -8.926 -11.485 -0.002 617 HH11 ARG 77 2HH2 ARG 77 -8.197 -12.416 -3.316 618 HH12 ARG 77 1HH2 ARG 77 -9.435 -11.420 -4.004 619 HH21 ARG 77 2HH1 ARG 77 -10.561 -10.170 -0.908 620 HH22 ARG 77 1HH1 ARG 77 -10.789 -10.134 -2.625 621 H MET 78 H MET 78 -3.302 -14.368 1.727 622 HA MET 78 HA MET 78 -2.597 -16.914 0.742 623 HB2 MET 78 1HB MET 78 -0.884 -14.674 1.958 624 HB3 MET 78 2HB MET 78 -0.258 -16.006 1.007 625 HG2 MET 78 1HG MET 78 -2.148 -13.808 0.046 626 HG3 MET 78 2HG MET 78 -0.483 -14.047 -0.445 627 HE1 MET 78 1HE MET 78 0.110 -16.870 -1.689 628 HE2 MET 78 2HE MET 78 -0.524 -16.296 -3.250 629 HE3 MET 78 3HE MET 78 0.284 -15.158 -2.144 630 H GLY 79 H GLY 79 -1.710 -15.189 3.828 631 HA2 GLY 79 1HA GLY 79 -2.356 -16.782 5.776 632 HA3 GLY 79 2HA GLY 79 -1.132 -17.799 5.044 633 H VAL 80 H VAL 80 -1.481 -14.243 5.765 634 HA VAL 80 HA VAL 80 1.243 -14.356 6.854 635 HB VAL 80 HB VAL 80 -0.340 -12.041 5.721 636 HG11 VAL 80 1HG1 VAL 80 1.586 -10.676 6.028 637 HG12 VAL 80 2HG1 VAL 80 1.303 -11.500 7.580 638 HG13 VAL 80 3HG1 VAL 80 2.591 -12.070 6.492 639 HG21 VAL 80 1HG2 VAL 80 1.528 -12.139 3.965 640 HG22 VAL 80 2HG2 VAL 80 1.863 -13.773 4.584 641 HG23 VAL 80 3HG2 VAL 80 0.269 -13.395 3.888 642 H ASP 81 H ASP 81 1.253 -14.530 9.034 643 HA ASP 81 HA ASP 81 -1.029 -13.851 10.528 644 HB2 ASP 81 1HB ASP 81 1.736 -14.879 11.058 645 HB3 ASP 81 2HB ASP 81 0.957 -14.073 12.405 646 H LYS 82 H LYS 82 -0.931 -11.499 9.505 647 HA LYS 82 HA LYS 82 0.357 -9.798 11.473 648 HB2 LYS 82 1HB LYS 82 2.087 -9.804 9.866 649 HB3 LYS 82 2HB LYS 82 0.969 -9.733 8.519 650 HG2 LYS 82 1HG LYS 82 1.754 -7.505 8.687 651 HG3 LYS 82 2HG LYS 82 0.202 -7.443 9.497 652 HD2 LYS 82 1HD LYS 82 1.179 -7.362 11.659 653 HD3 LYS 82 2HD LYS 82 2.698 -8.041 11.109 654 HE2 LYS 82 1HE LYS 82 3.218 -5.960 9.866 655 HE3 LYS 82 2HE LYS 82 1.661 -5.282 10.297 656 HZ1 LYS 82 1HZ LYS 82 3.995 -5.674 11.951 657 HZ2 LYS 82 2HZ LYS 82 2.919 -4.446 11.943 658 HZ3 LYS 82 3HZ LYS 82 2.544 -5.855 12.680 659 H ILE 83 H ILE 83 -1.144 -8.405 12.221 660 HA ILE 83 HA ILE 83 -3.491 -7.975 10.526 661 HB ILE 83 HB ILE 83 -3.101 -7.601 13.498 662 HG12 ILE 83 1HG1 ILE 83 -3.068 -9.978 12.581 663 HG13 ILE 83 2HG1 ILE 83 -4.232 -9.624 13.842 664 HG21 ILE 83 1HG2 ILE 83 -4.954 -6.385 13.488 665 HG22 ILE 83 2HG2 ILE 83 -5.076 -6.541 11.719 666 HG23 ILE 83 3HG2 ILE 83 -5.840 -7.754 12.774 667 HD11 ILE 83 1HD1 ILE 83 -6.030 -9.943 12.458 668 HD12 ILE 83 2HD1 ILE 83 -5.237 -9.137 11.084 669 HD13 ILE 83 3HD1 ILE 83 -4.861 -10.836 11.456 670 H ILE 84 H ILE 84 -2.551 -6.400 9.122 671 HA ILE 84 HA ILE 84 -1.035 -4.272 9.759 672 HB ILE 84 HB ILE 84 -3.346 -4.428 7.824 673 HG12 ILE 84 1HG1 ILE 84 -0.375 -4.943 7.532 674 HG13 ILE 84 2HG1 ILE 84 -1.670 -6.116 7.401 675 HG21 ILE 84 1HG2 ILE 84 -1.068 -2.478 7.589 676 HG22 ILE 84 2HG2 ILE 84 -2.662 -2.462 6.798 677 HG23 ILE 84 3HG2 ILE 84 -2.524 -2.075 8.530 678 HD11 ILE 84 1HD1 ILE 84 -0.736 -4.096 5.426 679 HD12 ILE 84 2HD1 ILE 84 -1.513 -5.676 5.159 680 HD13 ILE 84 3HD1 ILE 84 -2.505 -4.252 5.558 681 HA PRO 85 HA PRO 85 -3.372 -1.817 12.441 682 HB2 PRO 85 1HB PRO 85 -1.942 0.509 12.318 683 HB3 PRO 85 2HB PRO 85 -1.472 -0.853 13.314 684 HG2 PRO 85 1HG PRO 85 -0.305 0.064 10.758 685 HG3 PRO 85 2HG PRO 85 0.392 -1.001 11.963 686 HD2 PRO 85 1HD PRO 85 -0.753 -1.771 9.448 687 HD3 PRO 85 2HD PRO 85 -0.163 -2.842 10.703 688 H VAL 86 H VAL 86 -2.448 -0.132 9.477 689 HA VAL 86 HA VAL 86 -3.652 1.072 8.068 690 HB VAL 86 HB VAL 86 -5.990 -0.264 9.443 691 HG11 VAL 86 1HG1 VAL 86 -6.479 1.920 8.189 692 HG12 VAL 86 2HG1 VAL 86 -6.045 1.030 6.710 693 HG13 VAL 86 3HG1 VAL 86 -7.409 0.479 7.712 694 HG21 VAL 86 1HG2 VAL 86 -4.190 -1.008 7.166 695 HG22 VAL 86 2HG2 VAL 86 -4.887 -2.022 8.452 696 HG23 VAL 86 3HG2 VAL 86 -5.903 -1.485 7.093 697 H ASP 87 H ASP 87 -5.723 1.119 11.059 698 HA ASP 87 HA ASP 87 -6.453 3.695 10.914 699 HB2 ASP 87 1HB ASP 87 -6.745 1.674 12.743 700 HB3 ASP 87 2HB ASP 87 -5.676 2.731 13.644 701 H LYS 88 H LYS 88 -3.296 2.325 11.660 702 HA LYS 88 HA LYS 88 -2.346 4.834 12.797 703 HB2 LYS 88 1HB LYS 88 -0.882 2.201 12.467 704 HB3 LYS 88 2HB LYS 88 -0.356 3.589 13.398 705 HG2 LYS 88 1HG LYS 88 -2.295 3.357 14.916 706 HG3 LYS 88 2HG LYS 88 -2.937 2.048 13.944 707 HD2 LYS 88 1HD LYS 88 -1.777 1.101 15.881 708 HD3 LYS 88 2HD LYS 88 -0.886 0.689 14.429 709 HE2 LYS 88 1HE LYS 88 0.927 1.997 15.002 710 HE3 LYS 88 2HE LYS 88 -0.067 3.266 15.688 711 HZ1 LYS 88 1HZ LYS 88 0.942 0.865 16.947 712 HZ2 LYS 88 2HZ LYS 88 0.813 2.378 17.547 713 HZ3 LYS 88 3HZ LYS 88 -0.507 1.421 17.456 714 H LEU 89 H LEU 89 -2.307 2.862 9.858 715 HA LEU 89 HA LEU 89 -0.117 4.322 8.710 716 HB2 LEU 89 1HB LEU 89 -2.070 2.403 7.435 717 HB3 LEU 89 2HB LEU 89 -0.572 2.984 6.735 718 HG LEU 89 HG LEU 89 -0.682 1.378 9.298 719 HD11 LEU 89 1HD1 LEU 89 -1.639 -0.014 7.594 720 HD12 LEU 89 2HD1 LEU 89 -0.343 0.408 6.449 721 HD13 LEU 89 3HD1 LEU 89 0.028 -0.559 7.897 722 HD21 LEU 89 1HD2 LEU 89 1.721 0.906 8.640 723 HD22 LEU 89 2HD2 LEU 89 1.554 2.216 7.447 724 HD23 LEU 89 3HD2 LEU 89 1.358 2.562 9.182 725 H VAL 90 H VAL 90 -3.541 4.747 9.134 726 HA VAL 90 HA VAL 90 -3.624 6.654 6.918 727 HB VAL 90 HB VAL 90 -6.030 6.578 7.210 728 HG11 VAL 90 1HG1 VAL 90 -6.342 4.569 6.144 729 HG12 VAL 90 2HG1 VAL 90 -4.572 4.707 6.012 730 HG13 VAL 90 3HG1 VAL 90 -5.293 3.677 7.272 731 HG21 VAL 90 1HG2 VAL 90 -6.606 4.461 8.884 732 HG22 VAL 90 2HG2 VAL 90 -5.314 5.314 9.763 733 HG23 VAL 90 3HG2 VAL 90 -6.791 6.185 9.286 734 H LYS 91 H LYS 91 -2.335 6.784 9.805 735 HA LYS 91 HA LYS 91 -3.843 9.038 10.849 736 HB2 LYS 91 1HB LYS 91 -1.859 7.102 11.905 737 HB3 LYS 91 2HB LYS 91 -1.735 8.731 12.538 738 HG2 LYS 91 1HG LYS 91 -4.523 7.694 12.364 739 HG3 LYS 91 2HG LYS 91 -3.493 6.810 13.472 740 HD2 LYS 91 1HD LYS 91 -3.532 9.843 13.546 741 HD3 LYS 91 2HD LYS 91 -4.812 8.937 14.327 742 HE2 LYS 91 1HE LYS 91 -2.510 7.610 15.203 743 HE3 LYS 91 2HE LYS 91 -1.987 9.282 15.144 744 HZ1 LYS 91 1HZ LYS 91 -4.579 8.913 16.290 745 HZ2 LYS 91 2HZ LYS 91 -3.377 8.204 17.138 746 HZ3 LYS 91 3HZ LYS 91 -3.320 9.805 16.825 747 H GLY 92 H GLY 92 -1.071 8.284 8.854 748 HA2 GLY 92 1HA GLY 92 0.536 9.560 7.929 749 HA3 GLY 92 2HA GLY 92 -0.675 10.827 7.916 750 H LYS 93 H LYS 93 1.181 9.155 10.565 751 HA LYS 93 HA LYS 93 2.113 11.818 11.379 752 HB2 LYS 93 1HB LYS 93 1.737 11.326 13.655 753 HB3 LYS 93 2HB LYS 93 0.261 10.880 12.823 754 HG2 LYS 93 1HG LYS 93 0.460 8.709 13.463 755 HG3 LYS 93 2HG LYS 93 2.100 8.613 12.852 756 HD2 LYS 93 1HD LYS 93 3.051 9.336 14.910 757 HD3 LYS 93 2HD LYS 93 1.552 10.052 15.465 758 HE2 LYS 93 1HE LYS 93 0.551 7.699 15.541 759 HE3 LYS 93 2HE LYS 93 2.147 7.069 15.187 760 HZ1 LYS 93 1HZ LYS 93 2.030 7.076 17.469 761 HZ2 LYS 93 2HZ LYS 93 2.854 8.455 17.176 762 HZ3 LYS 93 3HZ LYS 93 1.269 8.518 17.564 763 H PHE 94 H PHE 94 3.087 9.260 9.760 764 HA PHE 94 HA PHE 94 5.028 8.280 9.403 765 HB2 PHE 94 1HB PHE 94 5.714 10.772 9.982 766 HB3 PHE 94 2HB PHE 94 6.193 10.141 11.545 767 HD1 PHE 94 2HD PHE 94 6.823 9.773 7.905 768 HD2 PHE 94 1HD PHE 94 8.299 9.155 11.835 769 HE1 PHE 94 2HE PHE 94 9.065 9.147 6.964 770 HE2 PHE 94 1HE PHE 94 10.540 8.528 10.895 771 HZ PHE 94 HZ PHE 94 10.896 8.532 8.471 772 H GLN 95 H GLN 95 7.117 7.302 10.736 773 HA GLN 95 HA GLN 95 7.808 5.855 12.202 774 HB2 GLN 95 1HB GLN 95 7.426 7.470 13.964 775 HB3 GLN 95 2HB GLN 95 5.704 7.144 13.985 776 HG2 GLN 95 1HG GLN 95 6.363 4.688 14.583 777 HG3 GLN 95 2HG GLN 95 7.959 5.327 14.919 778 HE21 GLN 95 1HE2 GLN 95 6.919 4.214 16.978 779 HE22 GLN 95 2HE2 GLN 95 6.265 5.317 18.142 780 H ASP 96 H ASP 96 4.209 5.975 12.771 781 HA ASP 96 HA ASP 96 3.919 3.289 13.158 782 HB2 ASP 96 1HB ASP 96 2.100 5.498 12.178 783 HB3 ASP 96 2HB ASP 96 1.507 3.849 12.131 784 H ASN 97 H ASN 97 4.642 5.102 10.273 785 HA ASN 97 HA ASN 97 3.574 3.060 8.539 786 HB2 ASN 97 1HB ASN 97 4.522 5.876 8.256 787 HB3 ASN 97 2HB ASN 97 4.976 4.840 6.917 788 HD21 ASN 97 1HD2 ASN 97 2.510 6.606 8.434 789 HD22 ASN 97 2HD2 ASN 97 1.174 6.174 7.420 790 H PHE 98 H PHE 98 6.655 4.564 9.664 791 HA PHE 98 HA PHE 98 8.318 3.067 7.932 792 HB2 PHE 98 1HB PHE 98 8.717 5.302 9.233 793 HB3 PHE 98 2HB PHE 98 8.922 4.322 10.672 794 HD1 PHE 98 1HD PHE 98 10.623 2.214 10.152 795 HD2 PHE 98 2HD PHE 98 10.680 6.027 8.291 796 HE1 PHE 98 1HE PHE 98 13.053 1.909 9.600 797 HE2 PHE 98 2HE PHE 98 13.109 5.722 7.739 798 HZ PHE 98 HZ PHE 98 14.267 3.667 8.400 799 H GLU 99 H GLU 99 7.249 2.714 11.367 800 HA GLU 99 HA GLU 99 8.890 0.482 11.820 801 HB2 GLU 99 1HB GLU 99 6.379 1.398 13.292 802 HB3 GLU 99 2HB GLU 99 7.532 0.226 13.897 803 HG2 GLU 99 1HG GLU 99 8.378 3.039 13.089 804 HG3 GLU 99 2HG GLU 99 7.801 2.676 14.703 805 H PHE 100 H PHE 100 6.235 0.868 9.799 806 HA PHE 100 HA PHE 100 5.314 -1.877 10.249 807 HB2 PHE 100 1HB PHE 100 3.496 -0.271 10.281 808 HB3 PHE 100 2HB PHE 100 4.212 0.685 8.999 809 HD1 PHE 100 1HD PHE 100 4.042 -0.060 6.653 810 HD2 PHE 100 2HD PHE 100 2.104 -2.165 9.787 811 HE1 PHE 100 1HE PHE 100 2.592 -1.231 4.971 812 HE2 PHE 100 2HE PHE 100 0.655 -3.336 8.105 813 HZ PHE 100 HZ PHE 100 0.916 -2.854 5.717 814 H VAL 101 H VAL 101 6.327 0.480 7.688 815 HA VAL 101 HA VAL 101 6.210 -1.333 5.573 816 HB VAL 101 HB VAL 101 6.278 1.073 5.301 817 HG11 VAL 101 1HG1 VAL 101 8.088 1.211 7.255 818 HG12 VAL 101 2HG1 VAL 101 9.209 1.230 5.872 819 HG13 VAL 101 3HG1 VAL 101 7.944 2.475 6.009 820 HG21 VAL 101 1HG2 VAL 101 6.974 -0.183 3.385 821 HG22 VAL 101 2HG2 VAL 101 8.075 1.207 3.537 822 HG23 VAL 101 3HG2 VAL 101 8.609 -0.411 4.051 823 H GLN 102 H GLN 102 8.857 -0.453 7.868 824 HA GLN 102 HA GLN 102 10.889 -1.797 6.693 825 HB2 GLN 102 1HB GLN 102 11.778 -2.069 9.075 826 HB3 GLN 102 2HB GLN 102 11.343 -0.437 8.606 827 HG2 GLN 102 1HG GLN 102 10.088 -0.404 10.509 828 HG3 GLN 102 2HG GLN 102 8.935 -1.370 9.610 829 HE21 GLN 102 1HE2 GLN 102 9.103 -1.494 12.339 830 HE22 GLN 102 2HE2 GLN 102 9.697 -3.039 12.851 831 H TRP 103 H TRP 103 8.343 -3.090 8.912 832 HA TRP 103 HA TRP 103 9.392 -5.685 9.064 833 HB2 TRP 103 1HB TRP 103 7.828 -4.905 10.690 834 HB3 TRP 103 2HB TRP 103 6.617 -4.570 9.469 835 HD1 TRP 103 HD TRP 103 8.123 -7.511 11.432 836 HE1 TRP 103 1HE TRP 103 6.649 -9.686 11.191 837 HE3 TRP 103 3HE TRP 103 5.036 -5.656 7.842 838 HZ2 TRP 103 2HZ TRP 103 4.408 -10.372 9.562 839 HZ3 TRP 103 3HZ TRP 103 3.231 -7.144 6.980 840 HH2 TRP 103 HH TRP 103 2.891 -9.428 7.783 841 H PHE 104 H PHE 104 6.527 -4.433 7.188 842 HA PHE 104 HA PHE 104 5.915 -6.528 5.692 843 HB2 PHE 104 1HB PHE 104 5.895 -3.598 5.492 844 HB3 PHE 104 2HB PHE 104 6.150 -4.272 3.894 845 HD1 PHE 104 2HD PHE 104 3.866 -4.400 6.816 846 HD2 PHE 104 1HD PHE 104 4.354 -5.153 2.669 847 HE1 PHE 104 2HE PHE 104 1.403 -4.833 6.605 848 HE2 PHE 104 1HE PHE 104 1.890 -5.586 2.458 849 HZ PHE 104 HZ PHE 104 0.444 -5.421 4.428 850 H LYS 105 H LYS 105 8.642 -4.255 4.942 851 HA LYS 105 HA LYS 105 9.415 -5.504 2.581 852 HB2 LYS 105 1HB LYS 105 10.091 -3.232 3.357 853 HB3 LYS 105 2HB LYS 105 11.142 -3.972 4.547 854 HG2 LYS 105 1HG LYS 105 11.558 -5.106 1.857 855 HG3 LYS 105 2HG LYS 105 11.809 -3.372 1.881 856 HD2 LYS 105 1HD LYS 105 13.161 -4.012 4.151 857 HD3 LYS 105 2HD LYS 105 13.336 -5.535 3.301 858 HE2 LYS 105 1HE LYS 105 14.305 -4.366 1.339 859 HE3 LYS 105 2HE LYS 105 14.052 -2.812 2.110 860 HZ1 LYS 105 1HZ LYS 105 15.426 -4.215 3.952 861 HZ2 LYS 105 2HZ LYS 105 16.107 -4.715 2.555 862 HZ3 LYS 105 3HZ LYS 105 16.070 -3.124 2.921 863 H LYS 106 H LYS 106 10.871 -5.829 5.900 864 HA LYS 106 HA LYS 106 12.670 -7.767 5.394 865 HB2 LYS 106 1HB LYS 106 10.982 -7.085 7.769 866 HB3 LYS 106 2HB LYS 106 11.919 -8.564 7.819 867 HG2 LYS 106 1HG LYS 106 13.897 -7.443 8.026 868 HG3 LYS 106 2HG LYS 106 13.490 -6.308 6.754 869 HD2 LYS 106 1HD LYS 106 11.751 -5.549 8.800 870 HD3 LYS 106 2HD LYS 106 13.179 -6.037 9.690 871 HE2 LYS 106 1HE LYS 106 14.394 -4.576 7.746 872 HE3 LYS 106 2HE LYS 106 12.835 -3.776 7.738 873 HZ1 LYS 106 1HZ LYS 106 14.533 -2.913 9.332 874 HZ2 LYS 106 2HZ LYS 106 13.065 -3.225 9.975 875 HZ3 LYS 106 3HZ LYS 106 14.303 -4.260 10.226 876 H PHE 107 H PHE 107 9.215 -8.385 6.347 877 HA PHE 107 HA PHE 107 9.314 -11.120 6.039 878 HB2 PHE 107 1HB PHE 107 7.498 -9.491 6.987 879 HB3 PHE 107 2HB PHE 107 6.999 -9.226 5.328 880 HD1 PHE 107 1HD PHE 107 7.343 -11.835 7.936 881 HD2 PHE 107 2HD PHE 107 5.563 -10.746 4.241 882 HE1 PHE 107 1HE PHE 107 5.846 -13.845 8.065 883 HE2 PHE 107 2HE PHE 107 4.066 -12.757 4.370 884 HZ PHE 107 HZ PHE 107 4.225 -14.282 6.280 885 H PHE 108 H PHE 108 8.068 -8.665 3.654 886 HA PHE 108 HA PHE 108 7.377 -10.195 1.606 887 HB2 PHE 108 1HB PHE 108 8.662 -7.550 2.046 888 HB3 PHE 108 2HB PHE 108 9.043 -8.186 0.459 889 HD1 PHE 108 2HD PHE 108 5.983 -8.068 2.612 890 HD2 PHE 108 1HD PHE 108 7.701 -7.347 -1.201 891 HE1 PHE 108 2HE PHE 108 3.759 -7.276 1.760 892 HE2 PHE 108 1HE PHE 108 5.477 -6.554 -2.053 893 HZ PHE 108 HZ PHE 108 3.532 -6.528 -0.562 894 H ASP 109 H ASP 109 10.800 -9.315 2.411 895 HA ASP 109 HA ASP 109 11.934 -10.533 0.226 896 HB2 ASP 109 1HB ASP 109 12.862 -9.087 2.337 897 HB3 ASP 109 2HB ASP 109 13.358 -10.681 2.870 898 H SER 110 H SER 110 11.381 -11.732 3.623 899 HA SER 110 HA SER 110 11.521 -14.432 2.533 900 HB2 SER 110 1HB SER 110 13.578 -14.014 3.802 901 HB3 SER 110 2HB SER 110 12.663 -13.422 5.174 902 HG SER 110 HG SER 110 12.415 -16.108 4.118 903 H GLY 111 H GLY 111 9.212 -14.561 2.399 904 HA2 GLY 111 1HA GLY 111 7.750 -14.200 4.934 905 HA3 GLY 111 2HA GLY 111 7.061 -14.168 3.323 906 HA PRO 112 HA PRO 112 6.121 -18.358 4.144 907 HB2 PRO 112 1HB PRO 112 4.676 -18.862 1.879 908 HB3 PRO 112 2HB PRO 112 3.986 -18.127 3.313 909 HG2 PRO 112 1HG PRO 112 4.716 -16.855 0.746 910 HG3 PRO 112 2HG PRO 112 3.657 -16.254 2.007 911 HD2 PRO 112 1HD PRO 112 6.349 -15.414 1.480 912 HD3 PRO 112 2HD PRO 112 5.331 -14.899 2.811 913 H SER 113 H SER 113 6.586 -20.535 3.463 914 HA SER 113 HA SER 113 9.112 -20.644 2.362 915 HB2 SER 113 1HB SER 113 7.024 -22.865 2.478 916 HB3 SER 113 2HB SER 113 8.751 -23.095 2.296 917 HG SER 113 HG SER 113 8.823 -23.127 4.430 918 H SER 114 H SER 114 9.803 -20.474 0.260 919 HA SER 114 HA SER 114 9.811 -20.440 -1.909 920 HB2 SER 114 1HB SER 114 7.516 -22.437 -1.684 921 HB3 SER 114 2HB SER 114 8.347 -22.063 -3.181 922 HG SER 114 HG SER 114 10.303 -22.618 -1.469 923 H GLY 115 H GLY 115 8.763 -19.412 -3.791 924 HA2 GLY 115 1HA GLY 115 6.912 -18.398 -4.820 925 HA3 GLY 115 2HA GLY 115 6.105 -18.270 -3.270 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 15.088 1.810 -12.565 2 HA2 GLY 1 1HA GLY 1 17.455 2.882 -11.811 3 HA3 GLY 1 2HA GLY 1 17.211 3.576 -13.402 4 H SER 2 H SER 2 16.851 5.721 -12.674 5 HA SER 2 HA SER 2 15.732 7.421 -11.923 6 HB2 SER 2 1HB SER 2 13.946 6.648 -13.400 7 HB3 SER 2 2HB SER 2 13.369 5.516 -12.194 8 HG SER 2 HG SER 2 13.364 8.405 -11.959 9 H SER 3 H SER 3 16.837 7.382 -9.847 10 HA SER 3 HA SER 3 14.993 6.967 -7.701 11 HB2 SER 3 1HB SER 3 16.694 5.602 -6.385 12 HB3 SER 3 2HB SER 3 15.913 4.753 -7.704 13 HG SER 3 HG SER 3 18.608 5.539 -7.405 14 H GLY 4 H GLY 4 18.520 7.468 -8.471 15 HA2 GLY 4 1HA GLY 4 19.194 9.866 -8.220 16 HA3 GLY 4 2HA GLY 4 18.488 9.774 -6.618 17 H SER 5 H SER 5 20.475 10.184 -5.520 18 HA SER 5 HA SER 5 22.531 8.179 -5.956 19 HB2 SER 5 1HB SER 5 22.932 10.780 -5.960 20 HB3 SER 5 2HB SER 5 22.840 10.642 -4.215 21 HG SER 5 HG SER 5 24.699 9.456 -4.148 22 H SER 6 H SER 6 23.584 7.201 -4.006 23 HA SER 6 HA SER 6 21.845 6.012 -2.351 24 HB2 SER 6 1HB SER 6 23.762 5.417 -0.953 25 HB3 SER 6 2HB SER 6 24.241 5.389 -2.638 26 HG SER 6 HG SER 6 25.454 7.221 -2.388 27 H GLY 7 H GLY 7 21.354 6.269 -0.006 28 HA2 GLY 7 1HA GLY 7 21.622 9.050 0.947 29 HA3 GLY 7 2HA GLY 7 20.067 8.241 0.940 30 H GLN 8 H GLN 8 20.039 8.553 3.307 31 HA GLN 8 HA GLN 8 21.575 6.438 4.585 32 HB2 GLN 8 1HB GLN 8 21.322 9.334 5.420 33 HB3 GLN 8 2HB GLN 8 21.542 8.101 6.645 34 HG2 GLN 8 1HG GLN 8 23.686 7.510 5.874 35 HG3 GLN 8 2HG GLN 8 23.373 8.070 4.243 36 HE21 GLN 8 1HE2 GLN 8 25.609 8.669 5.942 37 HE22 GLN 8 2HE2 GLN 8 25.668 10.384 6.178 38 H ARG 9 H ARG 9 19.891 4.969 4.834 39 HA ARG 9 HA ARG 9 18.026 4.109 5.510 40 HB2 ARG 9 1HB ARG 9 18.751 6.032 7.673 41 HB3 ARG 9 2HB ARG 9 17.079 5.510 7.709 42 HG2 ARG 9 1HG ARG 9 18.472 3.124 7.227 43 HG3 ARG 9 2HG ARG 9 19.533 3.984 8.326 44 HD2 ARG 9 1HD ARG 9 16.851 4.324 9.312 45 HD3 ARG 9 2HD ARG 9 17.041 2.626 8.920 46 HE ARG 9 HE ARG 9 18.557 2.410 10.691 47 HH11 ARG 9 2HH2 ARG 9 18.197 5.819 9.894 48 HH12 ARG 9 1HH2 ARG 9 19.126 6.365 11.250 49 HH21 ARG 9 2HH1 ARG 9 19.782 3.131 12.480 50 HH22 ARG 9 1HH1 ARG 9 20.033 4.826 12.731 51 H ARG 10 H ARG 10 15.551 4.610 6.116 52 HA ARG 10 HA ARG 10 13.669 5.585 5.665 53 HB2 ARG 10 1HB ARG 10 15.468 7.868 5.822 54 HB3 ARG 10 2HB ARG 10 14.292 8.162 4.557 55 HG2 ARG 10 1HG ARG 10 12.848 7.019 6.752 56 HG3 ARG 10 2HG ARG 10 13.916 8.227 7.439 57 HD2 ARG 10 1HD ARG 10 11.868 8.647 5.213 58 HD3 ARG 10 2HD ARG 10 11.815 9.317 6.832 59 HE ARG 10 HE ARG 10 14.198 10.303 5.943 60 HH11 ARG 10 2HH2 ARG 10 11.021 10.209 4.433 61 HH12 ARG 10 1HH2 ARG 10 11.276 11.652 3.510 62 HH21 ARG 10 2HH1 ARG 10 14.535 12.207 4.726 63 HH22 ARG 10 1HH1 ARG 10 13.289 12.796 3.677 64 H HIS 11 H HIS 11 15.893 7.176 3.251 65 HA HIS 11 HA HIS 11 14.146 6.846 1.119 66 HB2 HIS 11 1HB HIS 11 17.160 7.082 0.963 67 HB3 HIS 11 2HB HIS 11 15.996 7.523 -0.271 68 HD1 HIS 11 1HD HIS 11 18.120 9.488 1.112 69 HD2 HIS 11 2HD HIS 11 14.028 9.225 1.996 70 HE1 HIS 11 1HE HIS 11 17.466 11.730 2.141 71 H ASP 12 H ASP 12 16.038 4.544 2.841 72 HA ASP 12 HA ASP 12 16.815 2.849 0.830 73 HB2 ASP 12 1HB ASP 12 17.288 2.777 3.383 74 HB3 ASP 12 2HB ASP 12 15.753 1.948 3.540 75 H MET 13 H MET 13 13.824 2.818 2.921 76 HA MET 13 HA MET 13 12.641 0.689 1.569 77 HB2 MET 13 1HB MET 13 11.284 2.962 3.121 78 HB3 MET 13 2HB MET 13 10.621 1.362 2.854 79 HG2 MET 13 1HG MET 13 13.049 2.095 4.549 80 HG3 MET 13 2HG MET 13 11.540 1.397 5.102 81 HE1 MET 13 1HE MET 13 11.271 -1.892 4.475 82 HE2 MET 13 2HE MET 13 10.546 -0.436 3.752 83 HE3 MET 13 3HE MET 13 11.430 -1.593 2.728 84 H LEU 14 H LEU 14 12.021 4.271 1.414 85 HA LEU 14 HA LEU 14 10.020 4.382 -0.359 86 HB2 LEU 14 1HB LEU 14 12.423 6.160 -0.667 87 HB3 LEU 14 2HB LEU 14 10.731 6.546 -0.914 88 HG LEU 14 HG LEU 14 12.268 6.294 1.653 89 HD11 LEU 14 1HD1 LEU 14 12.182 8.503 0.896 90 HD12 LEU 14 2HD1 LEU 14 10.489 8.360 0.366 91 HD13 LEU 14 3HD1 LEU 14 10.877 8.407 2.103 92 HD21 LEU 14 1HD2 LEU 14 10.606 5.069 2.536 93 HD22 LEU 14 2HD2 LEU 14 9.725 6.615 2.564 94 HD23 LEU 14 3HD2 LEU 14 9.469 5.469 1.226 95 H ALA 15 H ALA 15 13.503 3.824 -1.149 96 HA ALA 15 HA ALA 15 13.119 3.745 -3.926 97 HB1 ALA 15 1HB ALA 15 15.226 2.811 -1.979 98 HB2 ALA 15 2HB ALA 15 15.339 2.352 -3.695 99 HB3 ALA 15 3HB ALA 15 15.324 4.071 -3.233 100 H TRP 16 H TRP 16 13.209 1.165 -1.382 101 HA TRP 16 HA TRP 16 13.057 -1.061 -2.886 102 HB2 TRP 16 1HB TRP 16 13.131 -1.001 -0.439 103 HB3 TRP 16 2HB TRP 16 11.464 -0.464 -0.387 104 HD1 TRP 16 HD TRP 16 13.292 -3.544 -1.990 105 HE1 TRP 16 1HE TRP 16 11.878 -5.741 -1.618 106 HE3 TRP 16 3HE TRP 16 9.451 -1.286 0.461 107 HZ2 TRP 16 2HZ TRP 16 9.369 -6.276 -0.368 108 HZ3 TRP 16 3HZ TRP 16 7.558 -2.718 1.223 109 HH2 TRP 16 HH TRP 16 7.477 -5.131 0.844 110 H ILE 17 H ILE 17 10.083 0.603 -1.602 111 HA ILE 17 HA ILE 17 8.314 -0.700 -3.265 112 HB ILE 17 HB ILE 17 8.287 1.835 -1.695 113 HG12 ILE 17 1HG1 ILE 17 6.079 0.154 -1.160 114 HG13 ILE 17 2HG1 ILE 17 7.454 -0.912 -1.366 115 HG21 ILE 17 1HG2 ILE 17 5.784 1.957 -2.362 116 HG22 ILE 17 2HG2 ILE 17 7.009 2.666 -3.442 117 HG23 ILE 17 3HG2 ILE 17 6.301 1.077 -3.821 118 HD11 ILE 17 1HD1 ILE 17 8.749 0.690 0.204 119 HD12 ILE 17 2HD1 ILE 17 7.163 1.402 0.585 120 HD13 ILE 17 3HD1 ILE 17 7.478 -0.312 0.946 121 H ASN 18 H ASN 18 9.656 2.656 -3.682 122 HA ASN 18 HA ASN 18 8.593 3.290 -6.017 123 HB2 ASN 18 1HB ASN 18 11.402 3.712 -4.932 124 HB3 ASN 18 2HB ASN 18 10.996 4.333 -6.520 125 HD21 ASN 18 1HD2 ASN 18 11.720 6.132 -4.757 126 HD22 ASN 18 2HD2 ASN 18 10.396 7.069 -4.149 127 H GLU 19 H GLU 19 12.039 2.145 -6.031 128 HA GLU 19 HA GLU 19 12.265 1.456 -8.567 129 HB2 GLU 19 1HB GLU 19 13.654 0.869 -6.151 130 HB3 GLU 19 2HB GLU 19 13.493 -0.661 -6.990 131 HG2 GLU 19 1HG GLU 19 14.181 1.129 -9.044 132 HG3 GLU 19 2HG GLU 19 15.134 1.692 -7.685 133 H SER 20 H SER 20 11.438 -1.058 -6.061 134 HA SER 20 HA SER 20 10.882 -3.108 -7.621 135 HB2 SER 20 1HB SER 20 9.196 -2.174 -5.256 136 HB3 SER 20 2HB SER 20 9.146 -3.793 -5.924 137 HG SER 20 HG SER 20 11.329 -2.481 -4.574 138 H LEU 21 H LEU 21 8.794 -0.226 -7.118 139 HA LEU 21 HA LEU 21 7.005 -1.287 -9.193 140 HB2 LEU 21 1HB LEU 21 6.375 0.678 -6.986 141 HB3 LEU 21 2HB LEU 21 5.261 0.107 -8.213 142 HG LEU 21 HG LEU 21 6.593 -1.699 -6.179 143 HD11 LEU 21 1HD1 LEU 21 4.099 -0.062 -6.030 144 HD12 LEU 21 2HD1 LEU 21 4.094 -1.690 -5.309 145 HD13 LEU 21 3HD1 LEU 21 5.279 -0.479 -4.764 146 HD21 LEU 21 1HD2 LEU 21 5.667 -2.567 -8.461 147 HD22 LEU 21 2HD2 LEU 21 5.282 -3.431 -6.952 148 HD23 LEU 21 3HD2 LEU 21 4.080 -2.342 -7.687 149 H GLN 22 H GLN 22 6.035 1.792 -8.780 150 HA GLN 22 HA GLN 22 8.165 3.003 -10.299 151 HB2 GLN 22 1HB GLN 22 5.426 2.377 -11.384 152 HB3 GLN 22 2HB GLN 22 6.170 3.890 -11.862 153 HG2 GLN 22 1HG GLN 22 8.253 2.556 -12.521 154 HG3 GLN 22 2HG GLN 22 7.335 1.093 -12.227 155 HE21 GLN 22 1HE2 GLN 22 8.103 3.552 -14.406 156 HE22 GLN 22 2HE2 GLN 22 6.977 3.192 -15.673 157 H LEU 23 H LEU 23 7.424 3.452 -7.617 158 HA LEU 23 HA LEU 23 5.721 5.812 -7.673 159 HB2 LEU 23 1HB LEU 23 6.881 4.143 -5.444 160 HB3 LEU 23 2HB LEU 23 6.025 5.648 -5.170 161 HG LEU 23 HG LEU 23 4.429 3.984 -4.799 162 HD11 LEU 23 1HD1 LEU 23 3.649 5.817 -6.280 163 HD12 LEU 23 2HD1 LEU 23 3.975 4.778 -7.687 164 HD13 LEU 23 3HD1 LEU 23 2.745 4.298 -6.493 165 HD21 LEU 23 1HD2 LEU 23 4.053 2.272 -6.826 166 HD22 LEU 23 2HD2 LEU 23 5.799 2.559 -7.018 167 HD23 LEU 23 3HD2 LEU 23 5.162 1.949 -5.472 168 H ASN 24 H ASN 24 6.839 7.304 -5.580 169 HA ASN 24 HA ASN 24 9.586 7.676 -5.950 170 HB2 ASN 24 1HB ASN 24 8.688 8.662 -8.128 171 HB3 ASN 24 2HB ASN 24 7.784 9.827 -7.180 172 HD21 ASN 24 1HD2 ASN 24 9.407 10.884 -8.917 173 HD22 ASN 24 2HD2 ASN 24 10.850 11.537 -8.216 174 H LEU 25 H LEU 25 7.901 7.306 -3.713 175 HA LEU 25 HA LEU 25 6.963 9.725 -2.615 176 HB2 LEU 25 1HB LEU 25 7.741 7.206 -1.149 177 HB3 LEU 25 2HB LEU 25 6.644 8.460 -0.607 178 HG LEU 25 HG LEU 25 6.166 6.623 -2.971 179 HD11 LEU 25 1HD1 LEU 25 5.881 5.175 -1.224 180 HD12 LEU 25 2HD1 LEU 25 5.416 6.459 -0.082 181 HD13 LEU 25 3HD1 LEU 25 4.253 5.889 -1.303 182 HD21 LEU 25 1HD2 LEU 25 4.622 8.078 -3.617 183 HD22 LEU 25 2HD2 LEU 25 3.759 7.789 -2.087 184 HD23 LEU 25 3HD2 LEU 25 4.941 9.115 -2.206 185 H THR 26 H THR 26 7.849 10.937 -0.798 186 HA THR 26 HA THR 26 10.791 10.768 -0.713 187 HB THR 26 HB THR 26 10.625 13.292 -0.362 188 HG1 THR 26 1HG THR 26 8.431 14.099 -0.949 189 HG21 THR 26 1HG2 THR 26 9.062 12.906 -2.872 190 HG22 THR 26 2HG2 THR 26 10.638 13.698 -2.634 191 HG23 THR 26 3HG2 THR 26 10.544 11.926 -2.774 192 H LYS 27 H LYS 27 7.838 10.474 1.008 193 HA LYS 27 HA LYS 27 9.376 10.543 3.499 194 HB2 LYS 27 1HB LYS 27 6.659 11.799 3.028 195 HB3 LYS 27 2HB LYS 27 7.336 11.501 4.616 196 HG2 LYS 27 1HG LYS 27 9.439 12.783 3.291 197 HG3 LYS 27 2HG LYS 27 8.029 13.593 2.638 198 HD2 LYS 27 1HD LYS 27 7.285 13.635 5.225 199 HD3 LYS 27 2HD LYS 27 9.012 13.493 5.489 200 HE2 LYS 27 1HE LYS 27 9.237 15.715 5.100 201 HE3 LYS 27 2HE LYS 27 8.701 15.468 3.450 202 HZ1 LYS 27 1HZ LYS 27 7.387 16.942 5.165 203 HZ2 LYS 27 2HZ LYS 27 6.637 16.144 3.953 204 HZ3 LYS 27 3HZ LYS 27 6.637 15.521 5.462 205 H ILE 28 H ILE 28 8.849 8.913 4.991 206 HA ILE 28 HA ILE 28 7.750 6.587 3.854 207 HB ILE 28 HB ILE 28 8.747 7.415 6.546 208 HG12 ILE 28 1HG1 ILE 28 10.192 6.676 4.553 209 HG13 ILE 28 2HG1 ILE 28 10.505 5.951 6.117 210 HG21 ILE 28 1HG2 ILE 28 6.998 5.052 5.957 211 HG22 ILE 28 2HG2 ILE 28 8.322 4.898 7.138 212 HG23 ILE 28 3HG2 ILE 28 7.045 6.114 7.385 213 HD11 ILE 28 1HD1 ILE 28 8.972 4.022 5.432 214 HD12 ILE 28 2HD1 ILE 28 8.955 4.726 3.797 215 HD13 ILE 28 3HD1 ILE 28 10.486 4.155 4.505 216 H GLU 29 H GLU 29 6.314 9.413 5.179 217 HA GLU 29 HA GLU 29 4.033 8.077 6.234 218 HB2 GLU 29 1HB GLU 29 5.178 10.660 6.438 219 HB3 GLU 29 2HB GLU 29 3.633 10.915 5.652 220 HG2 GLU 29 1HG GLU 29 2.655 9.347 7.513 221 HG3 GLU 29 2HG GLU 29 4.169 9.622 8.351 222 H GLN 30 H GLN 30 5.165 8.696 3.111 223 HA GLN 30 HA GLN 30 2.770 9.518 1.899 224 HB2 GLN 30 1HB GLN 30 5.404 8.400 0.932 225 HB3 GLN 30 2HB GLN 30 4.065 8.503 -0.193 226 HG2 GLN 30 1HG GLN 30 4.390 10.974 1.393 227 HG3 GLN 30 2HG GLN 30 5.825 10.583 0.468 228 HE21 GLN 30 1HE2 GLN 30 5.732 12.037 -1.115 229 HE22 GLN 30 2HE2 GLN 30 4.463 12.188 -2.284 230 H LEU 31 H LEU 31 3.755 6.562 3.319 231 HA LEU 31 HA LEU 31 2.125 4.944 1.535 232 HB2 LEU 31 1HB LEU 31 3.479 3.878 3.971 233 HB3 LEU 31 2HB LEU 31 3.157 3.101 2.434 234 HG LEU 31 HG LEU 31 5.004 5.367 2.195 235 HD11 LEU 31 1HD1 LEU 31 6.734 4.753 3.530 236 HD12 LEU 31 2HD1 LEU 31 5.395 4.168 4.548 237 HD13 LEU 31 3HD1 LEU 31 6.290 3.029 3.514 238 HD21 LEU 31 1HD2 LEU 31 4.517 3.686 0.430 239 HD22 LEU 31 2HD2 LEU 31 6.247 3.830 0.822 240 HD23 LEU 31 3HD2 LEU 31 5.307 2.449 1.438 241 H CYS 32 H CYS 32 0.920 7.121 3.144 242 HA CYS 32 HA CYS 32 -0.478 5.664 5.218 243 HB2 CYS 32 1HB CYS 32 -1.415 7.820 5.850 244 HB3 CYS 32 2HB CYS 32 0.329 7.932 5.716 245 HG CYS 32 HG CYS 32 -0.733 8.329 2.838 246 H SER 33 H SER 33 -0.654 5.335 2.095 247 HA SER 33 HA SER 33 -3.489 5.928 1.840 248 HB2 SER 33 1HB SER 33 -2.965 5.307 -0.647 249 HB3 SER 33 2HB SER 33 -2.416 6.853 -0.030 250 HG SER 33 HG SER 33 -0.875 5.231 -1.252 251 H GLY 34 H GLY 34 -1.049 3.350 1.017 252 HA2 GLY 34 1HA GLY 34 -1.276 1.112 1.650 253 HA3 GLY 34 2HA GLY 34 -3.005 1.324 1.841 254 H ALA 35 H ALA 35 -0.753 2.152 -0.891 255 HA ALA 35 HA ALA 35 -2.456 0.467 -2.597 256 HB1 ALA 35 1HB ALA 35 -2.489 2.112 -4.186 257 HB2 ALA 35 2HB ALA 35 -2.230 3.162 -2.772 258 HB3 ALA 35 3HB ALA 35 -0.850 2.679 -3.787 259 H ALA 36 H ALA 36 0.869 1.891 -2.230 260 HA ALA 36 HA ALA 36 2.257 0.470 -4.016 261 HB1 ALA 36 1HB ALA 36 2.768 1.727 -1.424 262 HB2 ALA 36 2HB ALA 36 3.867 0.360 -1.729 263 HB3 ALA 36 3HB ALA 36 3.772 1.703 -2.894 264 H TYR 37 H TYR 37 1.809 -0.701 -0.597 265 HA TYR 37 HA TYR 37 2.822 -3.167 -0.799 266 HB2 TYR 37 1HB TYR 37 0.060 -2.493 0.380 267 HB3 TYR 37 2HB TYR 37 1.180 -3.690 0.999 268 HD1 TYR 37 2HD TYR 37 3.587 -2.682 1.662 269 HD2 TYR 37 1HD TYR 37 -0.058 -0.449 1.473 270 HE1 TYR 37 2HE TYR 37 4.562 -0.944 3.240 271 HE2 TYR 37 1HE TYR 37 0.930 1.282 3.052 272 HH TYR 37 HH TYR 37 4.222 0.880 4.335 273 H CYS 38 H CYS 38 -0.644 -2.369 -1.575 274 HA CYS 38 HA CYS 38 -1.485 -4.811 -2.325 275 HB2 CYS 38 1HB CYS 38 -2.243 -2.043 -2.995 276 HB3 CYS 38 2HB CYS 38 -2.713 -3.216 -4.210 277 HG CYS 38 HG CYS 38 -3.737 -2.651 -1.231 278 H GLN 39 H GLN 39 -0.032 -2.305 -4.542 279 HA GLN 39 HA GLN 39 0.068 -3.782 -6.788 280 HB2 GLN 39 1HB GLN 39 1.126 -1.335 -5.894 281 HB3 GLN 39 2HB GLN 39 2.536 -2.226 -6.433 282 HG2 GLN 39 1HG GLN 39 0.815 -2.788 -8.492 283 HG3 GLN 39 2HG GLN 39 0.204 -1.216 -8.016 284 HE21 GLN 39 1HE2 GLN 39 2.452 -2.868 -9.830 285 HE22 GLN 39 2HE2 GLN 39 3.568 -1.595 -10.196 286 H PHE 40 H PHE 40 2.829 -3.444 -4.433 287 HA PHE 40 HA PHE 40 4.581 -5.164 -5.497 288 HB2 PHE 40 1HB PHE 40 3.986 -3.933 -2.985 289 HB3 PHE 40 2HB PHE 40 4.170 -5.632 -2.598 290 HD1 PHE 40 1HD PHE 40 6.291 -6.459 -4.467 291 HD2 PHE 40 2HD PHE 40 5.904 -2.909 -2.174 292 HE1 PHE 40 1HE PHE 40 8.786 -6.187 -4.466 293 HE2 PHE 40 2HE PHE 40 8.399 -2.638 -2.172 294 HZ PHE 40 HZ PHE 40 9.811 -4.280 -3.318 295 H MET 41 H MET 41 1.903 -6.114 -3.226 296 HA MET 41 HA MET 41 2.420 -8.754 -3.087 297 HB2 MET 41 1HB MET 41 -0.032 -7.015 -2.972 298 HB3 MET 41 2HB MET 41 -0.341 -8.729 -3.162 299 HG2 MET 41 1HG MET 41 1.385 -7.493 -0.961 300 HG3 MET 41 2HG MET 41 -0.264 -8.049 -0.753 301 HE1 MET 41 1HE MET 41 -0.667 -11.218 -1.482 302 HE2 MET 41 2HE MET 41 -0.110 -11.396 0.199 303 HE3 MET 41 3HE MET 41 -1.014 -9.942 -0.291 304 H ASP 42 H ASP 42 0.021 -7.292 -5.410 305 HA ASP 42 HA ASP 42 -0.629 -9.427 -6.817 306 HB2 ASP 42 1HB ASP 42 -1.591 -7.359 -7.472 307 HB3 ASP 42 2HB ASP 42 -0.032 -6.584 -7.668 308 H MET 43 H MET 43 2.405 -7.482 -7.110 309 HA MET 43 HA MET 43 3.388 -8.757 -9.368 310 HB2 MET 43 1HB MET 43 4.183 -6.728 -7.523 311 HB3 MET 43 2HB MET 43 5.473 -7.913 -7.464 312 HG2 MET 43 1HG MET 43 5.661 -7.823 -9.966 313 HG3 MET 43 2HG MET 43 4.384 -6.624 -10.015 314 HE1 MET 43 1HE MET 43 7.375 -6.276 -7.000 315 HE2 MET 43 2HE MET 43 7.346 -7.669 -8.107 316 HE3 MET 43 3HE MET 43 8.553 -6.380 -8.331 317 H LEU 44 H LEU 44 3.728 -9.463 -5.849 318 HA LEU 44 HA LEU 44 5.548 -11.620 -6.329 319 HB2 LEU 44 1HB LEU 44 4.044 -10.732 -3.864 320 HB3 LEU 44 2HB LEU 44 5.231 -12.021 -3.897 321 HG LEU 44 HG LEU 44 5.817 -9.141 -4.637 322 HD11 LEU 44 1HD1 LEU 44 5.224 -10.004 -2.120 323 HD12 LEU 44 2HD1 LEU 44 6.987 -10.241 -2.167 324 HD13 LEU 44 3HD1 LEU 44 6.296 -8.636 -2.504 325 HD21 LEU 44 1HD2 LEU 44 8.212 -10.176 -4.035 326 HD22 LEU 44 2HD2 LEU 44 7.415 -11.648 -4.642 327 HD23 LEU 44 3HD2 LEU 44 7.526 -10.205 -5.677 328 H PHE 45 H PHE 45 2.129 -11.389 -5.109 329 HA PHE 45 HA PHE 45 1.789 -14.143 -6.059 330 HB2 PHE 45 1HB PHE 45 0.366 -12.399 -3.961 331 HB3 PHE 45 2HB PHE 45 -0.187 -14.005 -4.392 332 HD1 PHE 45 1HD PHE 45 1.065 -15.980 -3.702 333 HD2 PHE 45 2HD PHE 45 2.373 -12.089 -2.629 334 HE1 PHE 45 1HE PHE 45 2.601 -16.971 -1.981 335 HE2 PHE 45 2HE PHE 45 3.908 -13.079 -0.908 336 HZ PHE 45 HZ PHE 45 4.004 -15.508 -0.605 337 HA PRO 46 HA PRO 46 -0.824 -12.130 -8.980 338 HB2 PRO 46 1HB PRO 46 -1.040 -14.232 -10.714 339 HB3 PRO 46 2HB PRO 46 0.259 -13.058 -10.789 340 HG2 PRO 46 1HG PRO 46 0.333 -15.841 -9.797 341 HG3 PRO 46 2HG PRO 46 1.667 -14.810 -10.273 342 HD2 PRO 46 1HD PRO 46 0.866 -15.452 -7.595 343 HD3 PRO 46 2HD PRO 46 2.126 -14.331 -8.072 344 H GLY 47 H GLY 47 -2.801 -11.661 -8.252 345 HA2 GLY 47 1HA GLY 47 -5.054 -12.153 -8.181 346 HA3 GLY 47 2HA GLY 47 -4.708 -13.865 -8.321 347 H SER 48 H SER 48 -3.306 -11.455 -6.010 348 HA SER 48 HA SER 48 -4.430 -13.113 -3.890 349 HB2 SER 48 1HB SER 48 -2.519 -12.311 -2.490 350 HB3 SER 48 2HB SER 48 -1.995 -13.217 -3.895 351 HG SER 48 HG SER 48 -1.322 -11.336 -4.917 352 H ILE 49 H ILE 49 -3.887 -9.834 -5.192 353 HA ILE 49 HA ILE 49 -5.580 -8.785 -3.031 354 HB ILE 49 HB ILE 49 -3.930 -6.925 -4.624 355 HG12 ILE 49 1HG1 ILE 49 -2.455 -8.956 -4.237 356 HG13 ILE 49 2HG1 ILE 49 -1.852 -7.420 -3.646 357 HG21 ILE 49 1HG2 ILE 49 -4.990 -5.786 -2.968 358 HG22 ILE 49 2HG2 ILE 49 -5.022 -7.183 -1.866 359 HG23 ILE 49 3HG2 ILE 49 -3.521 -6.250 -2.076 360 HD11 ILE 49 1HD1 ILE 49 -3.495 -9.131 -1.777 361 HD12 ILE 49 2HD1 ILE 49 -1.799 -9.574 -2.090 362 HD13 ILE 49 3HD1 ILE 49 -2.190 -7.980 -1.399 363 H ALA 50 H ALA 50 -6.435 -6.424 -4.104 364 HA ALA 50 HA ALA 50 -7.757 -7.269 -6.592 365 HB1 ALA 50 1HB ALA 50 -8.858 -6.569 -3.999 366 HB2 ALA 50 2HB ALA 50 -9.416 -5.422 -5.241 367 HB3 ALA 50 3HB ALA 50 -9.692 -7.167 -5.453 368 H LEU 51 H LEU 51 -5.521 -6.108 -7.188 369 HA LEU 51 HA LEU 51 -5.116 -3.442 -6.862 370 HB2 LEU 51 1HB LEU 51 -4.183 -5.537 -8.550 371 HB3 LEU 51 2HB LEU 51 -4.473 -4.130 -9.554 372 HG LEU 51 HG LEU 51 -2.639 -4.333 -7.156 373 HD11 LEU 51 1HD1 LEU 51 -1.531 -5.220 -9.012 374 HD12 LEU 51 2HD1 LEU 51 -2.218 -4.012 -10.123 375 HD13 LEU 51 3HD1 LEU 51 -0.976 -3.530 -8.942 376 HD21 LEU 51 1HD2 LEU 51 -2.295 -1.828 -8.411 377 HD22 LEU 51 2HD2 LEU 51 -4.042 -2.017 -8.123 378 HD23 LEU 51 3HD2 LEU 51 -2.895 -2.165 -6.769 379 H LYS 52 H LYS 52 -7.670 -5.059 -8.646 380 HA LYS 52 HA LYS 52 -8.327 -2.632 -10.095 381 HB2 LYS 52 1HB LYS 52 -9.686 -3.941 -11.423 382 HB3 LYS 52 2HB LYS 52 -8.414 -5.069 -10.999 383 HG2 LYS 52 1HG LYS 52 -10.026 -6.458 -10.212 384 HG3 LYS 52 2HG LYS 52 -10.257 -5.333 -8.888 385 HD2 LYS 52 1HD LYS 52 -11.760 -4.040 -10.709 386 HD3 LYS 52 2HD LYS 52 -11.859 -5.635 -11.427 387 HE2 LYS 52 1HE LYS 52 -12.269 -5.894 -8.569 388 HE3 LYS 52 2HE LYS 52 -13.314 -4.619 -9.164 389 HZ1 LYS 52 1HZ LYS 52 -14.475 -6.062 -10.403 390 HZ2 LYS 52 2HZ LYS 52 -13.197 -7.012 -10.766 391 HZ3 LYS 52 3HZ LYS 52 -13.936 -7.156 -9.317 392 H LYS 53 H LYS 53 -8.322 -2.313 -7.279 393 HA LYS 53 HA LYS 53 -11.032 -1.459 -6.942 394 HB2 LYS 53 1HB LYS 53 -10.652 -4.023 -6.156 395 HB3 LYS 53 2HB LYS 53 -10.174 -3.195 -4.688 396 HG2 LYS 53 1HG LYS 53 -12.300 -2.107 -4.466 397 HG3 LYS 53 2HG LYS 53 -12.742 -2.439 -6.129 398 HD2 LYS 53 1HD LYS 53 -13.983 -4.055 -4.938 399 HD3 LYS 53 2HD LYS 53 -12.583 -4.966 -5.467 400 HE2 LYS 53 1HE LYS 53 -12.827 -5.513 -3.152 401 HE3 LYS 53 2HE LYS 53 -11.493 -4.377 -3.204 402 HZ1 LYS 53 1HZ LYS 53 -13.225 -2.633 -2.778 403 HZ2 LYS 53 2HZ LYS 53 -14.261 -3.842 -2.416 404 HZ3 LYS 53 3HZ LYS 53 -12.903 -3.640 -1.532 405 H VAL 54 H VAL 54 -7.788 -2.068 -5.474 406 HA VAL 54 HA VAL 54 -7.832 -0.277 -3.441 407 HB VAL 54 HB VAL 54 -5.998 -1.754 -3.822 408 HG11 VAL 54 1HG1 VAL 54 -5.012 -0.156 -6.175 409 HG12 VAL 54 2HG1 VAL 54 -4.621 -1.824 -5.692 410 HG13 VAL 54 3HG1 VAL 54 -6.207 -1.454 -6.409 411 HG21 VAL 54 1HG2 VAL 54 -5.475 0.277 -2.577 412 HG22 VAL 54 2HG2 VAL 54 -4.075 -0.224 -3.555 413 HG23 VAL 54 3HG2 VAL 54 -5.095 1.133 -4.090 414 H LYS 55 H LYS 55 -7.007 1.959 -3.235 415 HA LYS 55 HA LYS 55 -7.774 3.511 -5.602 416 HB2 LYS 55 1HB LYS 55 -8.053 3.954 -2.651 417 HB3 LYS 55 2HB LYS 55 -7.878 5.349 -3.696 418 HG2 LYS 55 1HG LYS 55 -9.847 3.219 -4.521 419 HG3 LYS 55 2HG LYS 55 -10.285 4.256 -3.178 420 HD2 LYS 55 1HD LYS 55 -10.498 6.131 -4.509 421 HD3 LYS 55 2HD LYS 55 -9.157 5.685 -5.544 422 HE2 LYS 55 1HE LYS 55 -11.000 5.414 -6.987 423 HE3 LYS 55 2HE LYS 55 -10.741 3.777 -6.417 424 HZ1 LYS 55 1HZ LYS 55 -12.373 4.572 -4.572 425 HZ2 LYS 55 2HZ LYS 55 -12.849 5.635 -5.717 426 HZ3 LYS 55 3HZ LYS 55 -12.933 4.031 -6.008 427 H PHE 56 H PHE 56 -5.893 3.701 -6.783 428 HA PHE 56 HA PHE 56 -3.444 4.310 -5.373 429 HB2 PHE 56 1HB PHE 56 -4.404 3.584 -8.160 430 HB3 PHE 56 2HB PHE 56 -2.877 4.437 -8.055 431 HD1 PHE 56 1HD PHE 56 -4.339 1.791 -5.865 432 HD2 PHE 56 2HD PHE 56 -1.210 2.901 -8.508 433 HE1 PHE 56 1HE PHE 56 -3.163 -0.374 -5.383 434 HE2 PHE 56 2HE PHE 56 -0.034 0.737 -8.026 435 HZ PHE 56 HZ PHE 56 -1.025 -0.875 -6.469 436 H GLN 57 H GLN 57 -5.849 6.235 -5.542 437 HA GLN 57 HA GLN 57 -4.236 8.508 -6.145 438 HB2 GLN 57 1HB GLN 57 -6.136 7.511 -8.108 439 HB3 GLN 57 2HB GLN 57 -6.655 9.085 -7.540 440 HG2 GLN 57 1HG GLN 57 -4.121 9.767 -7.885 441 HG3 GLN 57 2HG GLN 57 -4.046 8.334 -8.892 442 HE21 GLN 57 1HE2 GLN 57 -5.512 8.131 -10.674 443 HE22 GLN 57 2HE2 GLN 57 -6.110 9.532 -11.499 444 H ALA 58 H ALA 58 -5.434 7.340 -3.766 445 HA ALA 58 HA ALA 58 -7.835 8.788 -3.196 446 HB1 ALA 58 1HB ALA 58 -6.001 7.429 -1.201 447 HB2 ALA 58 2HB ALA 58 -7.767 7.643 -1.124 448 HB3 ALA 58 3HB ALA 58 -7.059 6.496 -2.286 449 H LYS 59 H LYS 59 -8.068 10.734 -2.126 450 HA LYS 59 HA LYS 59 -5.551 12.039 -1.353 451 HB2 LYS 59 1HB LYS 59 -7.732 12.902 -3.114 452 HB3 LYS 59 2HB LYS 59 -7.364 14.071 -1.862 453 HG2 LYS 59 1HG LYS 59 -5.380 14.631 -2.829 454 HG3 LYS 59 2HG LYS 59 -4.901 12.954 -2.999 455 HD2 LYS 59 1HD LYS 59 -5.111 14.092 -5.212 456 HD3 LYS 59 2HD LYS 59 -6.204 12.729 -5.071 457 HE2 LYS 59 1HE LYS 59 -7.808 14.737 -4.093 458 HE3 LYS 59 2HE LYS 59 -6.823 15.650 -5.218 459 HZ1 LYS 59 1HZ LYS 59 -8.728 13.559 -5.754 460 HZ2 LYS 59 2HZ LYS 59 -8.360 14.885 -6.634 461 HZ3 LYS 59 3HZ LYS 59 -7.398 13.567 -6.701 462 H LEU 60 H LEU 60 -8.417 10.608 -0.278 463 HA LEU 60 HA LEU 60 -8.482 12.361 2.077 464 HB2 LEU 60 1HB LEU 60 -10.670 10.449 1.348 465 HB3 LEU 60 2HB LEU 60 -10.735 11.886 2.349 466 HG LEU 60 HG LEU 60 -10.504 11.782 -0.669 467 HD11 LEU 60 1HD1 LEU 60 -12.727 12.397 1.253 468 HD12 LEU 60 2HD1 LEU 60 -12.698 13.157 -0.357 469 HD13 LEU 60 3HD1 LEU 60 -12.731 11.383 -0.210 470 HD21 LEU 60 1HD2 LEU 60 -9.704 13.868 1.171 471 HD22 LEU 60 2HD2 LEU 60 -9.526 13.774 -0.597 472 HD23 LEU 60 3HD2 LEU 60 -11.025 14.419 0.114 473 H GLU 61 H GLU 61 -8.949 11.198 4.178 474 HA GLU 61 HA GLU 61 -7.107 9.051 4.366 475 HB2 GLU 61 1HB GLU 61 -8.225 11.003 6.115 476 HB3 GLU 61 2HB GLU 61 -8.683 9.448 6.779 477 HG2 GLU 61 1HG GLU 61 -6.414 8.726 6.989 478 HG3 GLU 61 2HG GLU 61 -5.826 9.946 5.876 479 H HIS 62 H HIS 62 -10.654 9.443 5.080 480 HA HIS 62 HA HIS 62 -11.324 6.998 5.861 481 HB2 HIS 62 1HB HIS 62 -13.512 7.384 4.997 482 HB3 HIS 62 2HB HIS 62 -12.851 8.926 5.504 483 HD1 HIS 62 1HD HIS 62 -14.330 7.201 2.610 484 HD2 HIS 62 2HD HIS 62 -11.951 10.596 3.252 485 HE1 HIS 62 1HE HIS 62 -14.474 8.589 0.474 486 H GLU 63 H GLU 63 -10.238 7.925 2.602 487 HA GLU 63 HA GLU 63 -11.056 5.529 1.386 488 HB2 GLU 63 1HB GLU 63 -8.820 7.390 0.481 489 HB3 GLU 63 2HB GLU 63 -9.744 6.289 -0.521 490 HG2 GLU 63 1HG GLU 63 -11.453 8.163 1.008 491 HG3 GLU 63 2HG GLU 63 -10.345 8.981 -0.075 492 H TYR 64 H TYR 64 -7.779 6.761 2.391 493 HA TYR 64 HA TYR 64 -6.161 4.761 1.818 494 HB2 TYR 64 1HB TYR 64 -6.569 6.058 4.586 495 HB3 TYR 64 2HB TYR 64 -5.068 5.325 4.058 496 HD1 TYR 64 1HD TYR 64 -6.019 6.692 1.123 497 HD2 TYR 64 2HD TYR 64 -4.879 7.993 5.036 498 HE1 TYR 64 1HE TYR 64 -5.266 8.925 0.169 499 HE2 TYR 64 2HE TYR 64 -4.130 10.222 4.069 500 HH TYR 64 HH TYR 64 -4.938 11.175 0.903 501 H ILE 65 H ILE 65 -8.418 4.706 4.659 502 HA ILE 65 HA ILE 65 -7.679 2.353 5.781 503 HB ILE 65 HB ILE 65 -10.302 3.762 5.485 504 HG12 ILE 65 1HG1 ILE 65 -9.781 3.521 8.141 505 HG13 ILE 65 2HG1 ILE 65 -8.148 3.504 7.507 506 HG21 ILE 65 1HG2 ILE 65 -10.824 1.911 7.431 507 HG22 ILE 65 2HG2 ILE 65 -11.400 1.829 5.749 508 HG23 ILE 65 3HG2 ILE 65 -9.934 0.943 6.231 509 HD11 ILE 65 1HD1 ILE 65 -10.021 5.564 6.376 510 HD12 ILE 65 2HD1 ILE 65 -9.443 5.803 8.043 511 HD13 ILE 65 3HD1 ILE 65 -8.275 5.677 6.705 512 H GLN 66 H GLN 66 -10.377 2.623 3.355 513 HA GLN 66 HA GLN 66 -10.791 0.024 2.944 514 HB2 GLN 66 1HB GLN 66 -10.790 2.311 0.937 515 HB3 GLN 66 2HB GLN 66 -11.372 0.711 0.523 516 HG2 GLN 66 1HG GLN 66 -12.698 1.140 2.908 517 HG3 GLN 66 2HG GLN 66 -12.601 2.776 2.288 518 HE21 GLN 66 1HE2 GLN 66 -14.131 -0.240 2.106 519 HE22 GLN 66 2HE2 GLN 66 -15.170 0.038 0.748 520 H ASN 67 H ASN 67 -8.402 2.032 1.068 521 HA ASN 67 HA ASN 67 -7.398 0.279 -0.601 522 HB2 ASN 67 1HB ASN 67 -5.645 1.997 1.235 523 HB3 ASN 67 2HB ASN 67 -5.192 1.410 -0.353 524 HD21 ASN 67 1HD2 ASN 67 -4.882 3.418 -1.214 525 HD22 ASN 67 2HD2 ASN 67 -6.161 4.526 -1.581 526 H PHE 68 H PHE 68 -6.304 0.641 2.862 527 HA PHE 68 HA PHE 68 -4.560 -1.539 2.820 528 HB2 PHE 68 1HB PHE 68 -6.129 0.063 4.897 529 HB3 PHE 68 2HB PHE 68 -5.173 -1.307 5.426 530 HD1 PHE 68 1HD PHE 68 -2.672 -1.304 4.797 531 HD2 PHE 68 2HD PHE 68 -5.128 2.152 4.612 532 HE1 PHE 68 1HE PHE 68 -0.629 0.152 4.873 533 HE2 PHE 68 2HE PHE 68 -3.085 3.608 4.688 534 HZ PHE 68 HZ PHE 68 -0.860 2.591 4.818 535 H LYS 69 H LYS 69 -8.014 -1.221 3.862 536 HA LYS 69 HA LYS 69 -8.456 -3.614 4.996 537 HB2 LYS 69 1HB LYS 69 -10.245 -2.148 3.035 538 HB3 LYS 69 2HB LYS 69 -10.774 -3.442 4.091 539 HG2 LYS 69 1HG LYS 69 -9.625 -1.912 5.979 540 HG3 LYS 69 2HG LYS 69 -9.907 -0.641 4.806 541 HD2 LYS 69 1HD LYS 69 -12.146 -0.616 5.222 542 HD3 LYS 69 2HD LYS 69 -12.272 -2.357 5.073 543 HE2 LYS 69 1HE LYS 69 -11.129 -2.408 7.453 544 HE3 LYS 69 2HE LYS 69 -11.603 -0.724 7.544 545 HZ1 LYS 69 1HZ LYS 69 -13.179 -2.824 8.116 546 HZ2 LYS 69 2HZ LYS 69 -13.704 -1.304 7.837 547 HZ3 LYS 69 3HZ LYS 69 -13.703 -2.401 6.628 548 H ILE 70 H ILE 70 -8.269 -2.943 1.449 549 HA ILE 70 HA ILE 70 -8.834 -5.588 0.690 550 HB ILE 70 HB ILE 70 -7.435 -3.316 -0.720 551 HG12 ILE 70 1HG1 ILE 70 -10.265 -4.372 -0.985 552 HG13 ILE 70 2HG1 ILE 70 -9.811 -2.956 -0.058 553 HG21 ILE 70 1HG2 ILE 70 -8.630 -5.454 -2.353 554 HG22 ILE 70 2HG2 ILE 70 -7.107 -4.555 -2.559 555 HG23 ILE 70 3HG2 ILE 70 -7.181 -5.937 -1.440 556 HD11 ILE 70 1HD1 ILE 70 -8.961 -3.167 -2.957 557 HD12 ILE 70 2HD1 ILE 70 -10.619 -2.664 -2.548 558 HD13 ILE 70 3HD1 ILE 70 -9.232 -1.710 -1.971 559 H LEU 71 H LEU 71 -5.687 -3.777 0.895 560 HA LEU 71 HA LEU 71 -4.032 -5.853 0.259 561 HB2 LEU 71 1HB LEU 71 -3.328 -3.545 0.486 562 HB3 LEU 71 2HB LEU 71 -3.612 -3.589 2.215 563 HG LEU 71 HG LEU 71 -1.193 -3.822 1.255 564 HD11 LEU 71 1HD1 LEU 71 -1.339 -5.900 3.251 565 HD12 LEU 71 2HD1 LEU 71 -0.718 -4.237 3.382 566 HD13 LEU 71 3HD1 LEU 71 -2.446 -4.567 3.658 567 HD21 LEU 71 1HD2 LEU 71 -0.439 -5.878 0.545 568 HD22 LEU 71 2HD2 LEU 71 -1.785 -6.761 1.303 569 HD23 LEU 71 3HD2 LEU 71 -2.060 -5.827 -0.187 570 H GLN 72 H GLN 72 -5.255 -4.934 3.551 571 HA GLN 72 HA GLN 72 -3.973 -6.829 4.979 572 HB2 GLN 72 1HB GLN 72 -6.117 -5.020 5.381 573 HB3 GLN 72 2HB GLN 72 -6.738 -6.577 5.891 574 HG2 GLN 72 1HG GLN 72 -3.972 -5.744 6.792 575 HG3 GLN 72 2HG GLN 72 -5.366 -5.037 7.584 576 HE21 GLN 72 1HE2 GLN 72 -3.232 -7.583 7.530 577 HE22 GLN 72 2HE2 GLN 72 -4.075 -8.732 8.514 578 H ALA 73 H ALA 73 -6.775 -7.200 2.808 579 HA ALA 73 HA ALA 73 -7.484 -9.792 3.714 580 HB1 ALA 73 1HB ALA 73 -8.758 -7.930 2.294 581 HB2 ALA 73 2HB ALA 73 -8.056 -8.828 0.927 582 HB3 ALA 73 3HB ALA 73 -9.121 -9.660 2.085 583 H GLY 74 H GLY 74 -5.153 -8.442 1.380 584 HA2 GLY 74 1HA GLY 74 -4.642 -10.692 -0.167 585 HA3 GLY 74 2HA GLY 74 -3.509 -9.403 0.190 586 H PHE 75 H PHE 75 -3.824 -9.959 3.207 587 HA PHE 75 HA PHE 75 -1.756 -11.963 3.285 588 HB2 PHE 75 1HB PHE 75 -3.174 -10.052 5.209 589 HB3 PHE 75 2HB PHE 75 -2.106 -11.284 5.849 590 HD1 PHE 75 1HD PHE 75 -1.024 -10.165 2.653 591 HD2 PHE 75 2HD PHE 75 -0.969 -9.166 6.777 592 HE1 PHE 75 1HE PHE 75 0.946 -8.660 2.262 593 HE2 PHE 75 2HE PHE 75 1.002 -7.661 6.386 594 HZ PHE 75 HZ PHE 75 1.936 -7.426 4.134 595 H LYS 76 H LYS 76 -5.016 -11.445 4.813 596 HA LYS 76 HA LYS 76 -5.139 -13.872 6.119 597 HB2 LYS 76 1HB LYS 76 -7.301 -13.301 6.604 598 HB3 LYS 76 2HB LYS 76 -6.668 -11.731 6.152 599 HG2 LYS 76 1HG LYS 76 -8.438 -11.659 4.707 600 HG3 LYS 76 2HG LYS 76 -7.446 -12.681 3.686 601 HD2 LYS 76 1HD LYS 76 -8.685 -14.582 4.133 602 HD3 LYS 76 2HD LYS 76 -8.994 -14.124 5.796 603 HE2 LYS 76 1HE LYS 76 -10.295 -12.614 3.497 604 HE3 LYS 76 2HE LYS 76 -10.997 -14.098 4.108 605 HZ1 LYS 76 1HZ LYS 76 -10.621 -11.569 5.509 606 HZ2 LYS 76 2HZ LYS 76 -11.975 -12.469 5.365 607 HZ3 LYS 76 3HZ LYS 76 -10.774 -12.955 6.358 608 H ARG 77 H ARG 77 -5.204 -13.153 2.716 609 HA ARG 77 HA ARG 77 -6.695 -15.442 2.000 610 HB2 ARG 77 1HB ARG 77 -5.045 -13.369 0.536 611 HB3 ARG 77 2HB ARG 77 -5.467 -14.842 -0.315 612 HG2 ARG 77 1HG ARG 77 -7.911 -14.400 0.403 613 HG3 ARG 77 2HG ARG 77 -7.378 -12.813 0.921 614 HD2 ARG 77 1HD ARG 77 -6.386 -12.552 -1.478 615 HD3 ARG 77 2HD ARG 77 -7.339 -13.961 -1.900 616 HE ARG 77 HE ARG 77 -8.877 -11.874 -0.522 617 HH11 ARG 77 2HH2 ARG 77 -7.755 -13.065 -3.638 618 HH12 ARG 77 1HH2 ARG 77 -9.003 -12.267 -4.536 619 HH21 ARG 77 2HH1 ARG 77 -10.524 -10.821 -1.707 620 HH22 ARG 77 1HH1 ARG 77 -10.589 -10.982 -3.430 621 H MET 78 H MET 78 -3.196 -14.490 1.597 622 HA MET 78 HA MET 78 -2.410 -17.040 0.801 623 HB2 MET 78 1HB MET 78 -0.997 -14.571 1.902 624 HB3 MET 78 2HB MET 78 -0.077 -16.028 1.584 625 HG2 MET 78 1HG MET 78 -1.823 -14.601 -0.482 626 HG3 MET 78 2HG MET 78 -0.084 -14.423 -0.360 627 HE1 MET 78 1HE MET 78 -2.592 -15.816 -2.371 628 HE2 MET 78 2HE MET 78 -1.069 -15.280 -3.119 629 HE3 MET 78 3HE MET 78 -1.620 -16.959 -3.327 630 H GLY 79 H GLY 79 -2.051 -15.301 3.975 631 HA2 GLY 79 1HA GLY 79 -2.741 -16.916 5.838 632 HA3 GLY 79 2HA GLY 79 -1.415 -17.889 5.234 633 H VAL 80 H VAL 80 -1.917 -14.333 5.851 634 HA VAL 80 HA VAL 80 0.541 -14.431 7.459 635 HB VAL 80 HB VAL 80 -0.431 -12.325 5.522 636 HG11 VAL 80 1HG1 VAL 80 0.548 -11.464 7.741 637 HG12 VAL 80 2HG1 VAL 80 2.096 -12.131 7.168 638 HG13 VAL 80 3HG1 VAL 80 1.271 -10.864 6.229 639 HG21 VAL 80 1HG2 VAL 80 0.804 -14.392 4.669 640 HG22 VAL 80 2HG2 VAL 80 1.496 -12.810 4.234 641 HG23 VAL 80 3HG2 VAL 80 2.228 -13.773 5.541 642 H ASP 81 H ASP 81 -0.219 -14.437 9.536 643 HA ASP 81 HA ASP 81 -2.578 -12.959 10.147 644 HB2 ASP 81 1HB ASP 81 -1.649 -15.215 11.182 645 HB3 ASP 81 2HB ASP 81 -0.686 -14.157 12.194 646 H LYS 82 H LYS 82 -1.331 -10.884 9.332 647 HA LYS 82 HA LYS 82 0.176 -9.775 11.598 648 HB2 LYS 82 1HB LYS 82 1.823 -9.919 9.991 649 HB3 LYS 82 2HB LYS 82 0.712 -9.694 8.655 650 HG2 LYS 82 1HG LYS 82 1.987 -7.653 8.844 651 HG3 LYS 82 2HG LYS 82 0.374 -7.291 9.424 652 HD2 LYS 82 1HD LYS 82 1.072 -7.380 11.736 653 HD3 LYS 82 2HD LYS 82 2.599 -8.134 11.325 654 HE2 LYS 82 1HE LYS 82 3.204 -6.021 10.022 655 HE3 LYS 82 2HE LYS 82 1.746 -5.280 10.651 656 HZ1 LYS 82 1HZ LYS 82 4.204 -5.839 11.987 657 HZ2 LYS 82 2HZ LYS 82 3.066 -4.717 12.325 658 HZ3 LYS 82 3HZ LYS 82 2.885 -6.250 12.858 659 H ILE 83 H ILE 83 -0.813 -8.106 12.596 660 HA ILE 83 HA ILE 83 -3.227 -7.074 11.438 661 HB ILE 83 HB ILE 83 -1.775 -6.476 14.016 662 HG12 ILE 83 1HG1 ILE 83 -3.913 -7.732 14.867 663 HG13 ILE 83 2HG1 ILE 83 -3.963 -8.387 13.243 664 HG21 ILE 83 1HG2 ILE 83 -4.569 -5.641 13.194 665 HG22 ILE 83 2HG2 ILE 83 -3.752 -5.299 14.738 666 HG23 ILE 83 3HG2 ILE 83 -3.150 -4.567 13.232 667 HD11 ILE 83 1HD1 ILE 83 -1.319 -8.428 14.687 668 HD12 ILE 83 2HD1 ILE 83 -2.569 -9.596 15.177 669 HD13 ILE 83 3HD1 ILE 83 -1.977 -9.579 13.499 670 H ILE 84 H ILE 84 -3.236 -5.500 9.933 671 HA ILE 84 HA ILE 84 -0.904 -3.817 9.679 672 HB ILE 84 HB ILE 84 -3.415 -4.200 8.061 673 HG12 ILE 84 1HG1 ILE 84 -0.508 -4.932 7.681 674 HG13 ILE 84 2HG1 ILE 84 -1.893 -6.002 7.766 675 HG21 ILE 84 1HG2 ILE 84 -2.685 -2.578 6.491 676 HG22 ILE 84 2HG2 ILE 84 -2.650 -1.795 8.089 677 HG23 ILE 84 3HG2 ILE 84 -1.135 -2.350 7.337 678 HD11 ILE 84 1HD1 ILE 84 -0.944 -4.293 5.493 679 HD12 ILE 84 2HD1 ILE 84 -1.670 -5.918 5.467 680 HD13 ILE 84 3HD1 ILE 84 -2.705 -4.484 5.677 681 HA PRO 85 HA PRO 85 -2.768 -0.738 12.135 682 HB2 PRO 85 1HB PRO 85 -0.689 1.035 12.113 683 HB3 PRO 85 2HB PRO 85 -0.795 -0.304 13.239 684 HG2 PRO 85 1HG PRO 85 0.921 -0.023 10.847 685 HG3 PRO 85 2HG PRO 85 1.092 -1.127 12.198 686 HD2 PRO 85 1HD PRO 85 0.104 -1.758 9.580 687 HD3 PRO 85 2HD PRO 85 0.167 -2.832 10.964 688 H VAL 86 H VAL 86 -4.235 -0.720 10.119 689 HA VAL 86 HA VAL 86 -3.714 1.277 8.220 690 HB VAL 86 HB VAL 86 -6.364 0.126 9.111 691 HG11 VAL 86 1HG1 VAL 86 -6.779 1.984 7.695 692 HG12 VAL 86 2HG1 VAL 86 -5.455 1.539 6.592 693 HG13 VAL 86 3HG1 VAL 86 -6.928 0.543 6.661 694 HG21 VAL 86 1HG2 VAL 86 -5.986 -1.500 7.220 695 HG22 VAL 86 2HG2 VAL 86 -4.298 -0.939 7.164 696 HG23 VAL 86 3HG2 VAL 86 -4.926 -1.727 8.631 697 H ASP 87 H ASP 87 -6.142 1.266 10.933 698 HA ASP 87 HA ASP 87 -7.020 3.729 10.826 699 HB2 ASP 87 1HB ASP 87 -7.648 2.170 12.612 700 HB3 ASP 87 2HB ASP 87 -6.044 2.253 13.311 701 H LYS 88 H LYS 88 -3.737 2.694 11.764 702 HA LYS 88 HA LYS 88 -3.022 5.372 12.623 703 HB2 LYS 88 1HB LYS 88 -1.213 2.957 12.446 704 HB3 LYS 88 2HB LYS 88 -0.995 4.406 13.405 705 HG2 LYS 88 1HG LYS 88 -3.093 3.815 14.696 706 HG3 LYS 88 2HG LYS 88 -3.195 2.320 13.786 707 HD2 LYS 88 1HD LYS 88 -2.088 1.929 15.961 708 HD3 LYS 88 2HD LYS 88 -0.975 1.613 14.646 709 HE2 LYS 88 1HE LYS 88 0.203 3.681 14.991 710 HE3 LYS 88 2HE LYS 88 -1.083 4.347 15.978 711 HZ1 LYS 88 1HZ LYS 88 1.058 3.179 16.970 712 HZ2 LYS 88 2HZ LYS 88 -0.369 3.234 17.762 713 HZ3 LYS 88 3HZ LYS 88 0.056 1.890 16.938 714 H LEU 89 H LEU 89 -1.823 2.924 10.213 715 HA LEU 89 HA LEU 89 -0.089 4.499 8.860 716 HB2 LEU 89 1HB LEU 89 -1.950 2.333 7.903 717 HB3 LEU 89 2HB LEU 89 -0.772 3.086 6.847 718 HG LEU 89 HG LEU 89 -0.073 1.674 9.435 719 HD11 LEU 89 1HD1 LEU 89 0.441 -0.272 8.251 720 HD12 LEU 89 2HD1 LEU 89 -1.118 0.250 7.568 721 HD13 LEU 89 3HD1 LEU 89 0.391 0.555 6.675 722 HD21 LEU 89 1HD2 LEU 89 1.747 3.006 9.098 723 HD22 LEU 89 2HD2 LEU 89 2.204 1.624 8.073 724 HD23 LEU 89 3HD2 LEU 89 1.508 3.088 7.336 725 H VAL 90 H VAL 90 -3.674 4.335 8.439 726 HA VAL 90 HA VAL 90 -3.769 6.123 6.290 727 HB VAL 90 HB VAL 90 -6.145 6.318 6.896 728 HG11 VAL 90 1HG1 VAL 90 -5.461 3.414 7.250 729 HG12 VAL 90 2HG1 VAL 90 -6.702 4.176 6.226 730 HG13 VAL 90 3HG1 VAL 90 -4.988 4.252 5.753 731 HG21 VAL 90 1HG2 VAL 90 -6.688 6.216 9.066 732 HG22 VAL 90 2HG2 VAL 90 -6.524 4.450 8.923 733 HG23 VAL 90 3HG2 VAL 90 -5.151 5.427 9.493 734 H LYS 91 H LYS 91 -3.613 6.554 9.836 735 HA LYS 91 HA LYS 91 -4.196 9.347 9.688 736 HB2 LYS 91 1HB LYS 91 -3.396 7.408 11.835 737 HB3 LYS 91 2HB LYS 91 -3.230 9.126 12.135 738 HG2 LYS 91 1HG LYS 91 -5.696 9.299 11.236 739 HG3 LYS 91 2HG LYS 91 -5.758 7.567 11.495 740 HD2 LYS 91 1HD LYS 91 -4.957 9.578 13.651 741 HD3 LYS 91 2HD LYS 91 -6.583 8.953 13.459 742 HE2 LYS 91 1HE LYS 91 -6.033 6.861 14.286 743 HE3 LYS 91 2HE LYS 91 -4.428 6.881 13.581 744 HZ1 LYS 91 1HZ LYS 91 -3.873 7.236 15.703 745 HZ2 LYS 91 2HZ LYS 91 -4.187 8.801 15.358 746 HZ3 LYS 91 3HZ LYS 91 -5.307 7.893 16.125 747 H GLY 92 H GLY 92 -1.457 7.345 9.032 748 HA2 GLY 92 1HA GLY 92 0.651 7.844 8.433 749 HA3 GLY 92 2HA GLY 92 0.150 9.514 8.252 750 H LYS 93 H LYS 93 1.096 7.053 10.732 751 HA LYS 93 HA LYS 93 1.787 9.207 12.559 752 HB2 LYS 93 1HB LYS 93 1.631 6.199 12.870 753 HB3 LYS 93 2HB LYS 93 2.230 7.266 14.123 754 HG2 LYS 93 1HG LYS 93 -0.380 8.083 12.926 755 HG3 LYS 93 2HG LYS 93 -0.419 6.570 13.809 756 HD2 LYS 93 1HD LYS 93 0.663 9.207 14.912 757 HD3 LYS 93 2HD LYS 93 -0.922 8.551 15.265 758 HE2 LYS 93 1HE LYS 93 0.374 6.408 16.063 759 HE3 LYS 93 2HE LYS 93 1.789 7.441 16.076 760 HZ1 LYS 93 1HZ LYS 93 -0.374 8.720 17.332 761 HZ2 LYS 93 2HZ LYS 93 -0.118 7.259 18.016 762 HZ3 LYS 93 3HZ LYS 93 1.095 8.349 17.943 763 H PHE 94 H PHE 94 3.186 8.267 9.877 764 HA PHE 94 HA PHE 94 5.246 8.119 9.107 765 HB2 PHE 94 1HB PHE 94 5.564 10.268 10.247 766 HB3 PHE 94 2HB PHE 94 5.641 9.495 11.818 767 HD1 PHE 94 1HD PHE 94 7.467 9.542 8.563 768 HD2 PHE 94 2HD PHE 94 7.713 9.149 12.781 769 HE1 PHE 94 1HE PHE 94 9.972 9.483 8.411 770 HE2 PHE 94 2HE PHE 94 10.218 9.090 12.629 771 HZ PHE 94 HZ PHE 94 11.317 9.258 10.446 772 H GLN 95 H GLN 95 6.314 7.826 12.533 773 HA GLN 95 HA GLN 95 8.063 5.843 12.147 774 HB2 GLN 95 1HB GLN 95 6.855 7.129 14.368 775 HB3 GLN 95 2HB GLN 95 6.679 5.414 14.682 776 HG2 GLN 95 1HG GLN 95 8.937 5.094 14.956 777 HG3 GLN 95 2HG GLN 95 9.356 6.163 13.632 778 HE21 GLN 95 1HE2 GLN 95 7.730 6.376 16.800 779 HE22 GLN 95 2HE2 GLN 95 8.563 7.781 17.378 780 H ASP 96 H ASP 96 4.679 5.294 13.388 781 HA ASP 96 HA ASP 96 4.702 2.612 13.369 782 HB2 ASP 96 1HB ASP 96 2.761 4.679 13.504 783 HB3 ASP 96 2HB ASP 96 2.188 3.615 12.235 784 H ASN 97 H ASN 97 4.770 4.845 10.650 785 HA ASN 97 HA ASN 97 3.789 2.934 8.774 786 HB2 ASN 97 1HB ASN 97 4.184 5.758 8.839 787 HB3 ASN 97 2HB ASN 97 5.283 5.177 7.604 788 HD21 ASN 97 1HD2 ASN 97 2.077 5.891 8.448 789 HD22 ASN 97 2HD2 ASN 97 1.269 5.349 7.014 790 H PHE 98 H PHE 98 6.902 4.357 9.899 791 HA PHE 98 HA PHE 98 8.452 3.058 7.884 792 HB2 PHE 98 1HB PHE 98 8.990 5.239 9.108 793 HB3 PHE 98 2HB PHE 98 9.145 4.333 10.600 794 HD1 PHE 98 1HD PHE 98 10.840 2.233 10.347 795 HD2 PHE 98 2HD PHE 98 10.949 5.795 8.045 796 HE1 PHE 98 1HE PHE 98 13.271 1.842 9.858 797 HE2 PHE 98 2HE PHE 98 13.380 5.405 7.556 798 HZ PHE 98 HZ PHE 98 14.512 3.433 8.468 799 H GLU 99 H GLU 99 7.392 2.367 11.222 800 HA GLU 99 HA GLU 99 9.255 0.226 11.490 801 HB2 GLU 99 1HB GLU 99 6.833 0.892 13.218 802 HB3 GLU 99 2HB GLU 99 8.173 -0.144 13.665 803 HG2 GLU 99 1HG GLU 99 9.660 1.985 13.141 804 HG3 GLU 99 2HG GLU 99 8.155 2.867 13.304 805 H PHE 100 H PHE 100 6.300 0.683 9.853 806 HA PHE 100 HA PHE 100 5.504 -2.103 10.194 807 HB2 PHE 100 1HB PHE 100 3.666 -0.551 10.388 808 HB3 PHE 100 2HB PHE 100 4.312 0.501 9.144 809 HD1 PHE 100 1HD PHE 100 4.143 -0.198 6.741 810 HD2 PHE 100 2HD PHE 100 2.165 -2.307 9.848 811 HE1 PHE 100 1HE PHE 100 2.626 -1.267 5.051 812 HE2 PHE 100 2HE PHE 100 0.649 -3.375 8.157 813 HZ PHE 100 HZ PHE 100 0.897 -2.842 5.779 814 H VAL 101 H VAL 101 6.799 0.246 7.839 815 HA VAL 101 HA VAL 101 6.410 -1.480 5.601 816 HB VAL 101 HB VAL 101 6.444 0.952 5.422 817 HG11 VAL 101 1HG1 VAL 101 8.154 2.321 6.063 818 HG12 VAL 101 2HG1 VAL 101 8.430 0.996 7.220 819 HG13 VAL 101 3HG1 VAL 101 9.407 1.100 5.735 820 HG21 VAL 101 1HG2 VAL 101 6.941 -0.138 3.393 821 HG22 VAL 101 2HG2 VAL 101 8.203 1.105 3.558 822 HG23 VAL 101 3HG2 VAL 101 8.574 -0.595 3.935 823 H GLN 102 H GLN 102 9.080 -0.692 7.882 824 HA GLN 102 HA GLN 102 11.068 -2.028 6.531 825 HB2 GLN 102 1HB GLN 102 12.305 -1.942 8.609 826 HB3 GLN 102 2HB GLN 102 11.355 -0.474 8.495 827 HG2 GLN 102 1HG GLN 102 9.855 -1.136 10.176 828 HG3 GLN 102 2HG GLN 102 10.116 -2.845 9.889 829 HE21 GLN 102 1HE2 GLN 102 11.599 0.110 11.128 830 HE22 GLN 102 2HE2 GLN 102 12.671 -0.628 12.271 831 H TRP 103 H TRP 103 8.333 -3.219 8.398 832 HA TRP 103 HA TRP 103 9.498 -5.828 8.793 833 HB2 TRP 103 1HB TRP 103 8.091 -5.025 10.525 834 HB3 TRP 103 2HB TRP 103 6.808 -4.613 9.404 835 HD1 TRP 103 HD TRP 103 8.130 -7.540 11.427 836 HE1 TRP 103 1HE TRP 103 6.594 -9.675 11.206 837 HE3 TRP 103 3HE TRP 103 5.292 -5.748 7.608 838 HZ2 TRP 103 2HZ TRP 103 4.414 -10.359 9.497 839 HZ3 TRP 103 3HZ TRP 103 3.480 -7.213 6.721 840 HH2 TRP 103 HH TRP 103 3.021 -9.446 7.603 841 H PHE 104 H PHE 104 6.905 -4.237 6.818 842 HA PHE 104 HA PHE 104 6.019 -6.465 5.480 843 HB2 PHE 104 1HB PHE 104 5.995 -3.534 5.308 844 HB3 PHE 104 2HB PHE 104 6.156 -4.191 3.692 845 HD1 PHE 104 2HD PHE 104 4.058 -4.430 6.752 846 HD2 PHE 104 1HD PHE 104 4.277 -4.973 2.549 847 HE1 PHE 104 2HE PHE 104 1.585 -4.856 6.678 848 HE2 PHE 104 1HE PHE 104 1.804 -5.399 2.475 849 HZ PHE 104 HZ PHE 104 0.488 -5.336 4.541 850 H LYS 105 H LYS 105 9.032 -4.641 5.105 851 HA LYS 105 HA LYS 105 9.571 -5.782 2.514 852 HB2 LYS 105 1HB LYS 105 10.239 -3.456 3.218 853 HB3 LYS 105 2HB LYS 105 11.401 -4.174 4.316 854 HG2 LYS 105 1HG LYS 105 11.643 -5.392 1.671 855 HG3 LYS 105 2HG LYS 105 11.747 -3.648 1.539 856 HD2 LYS 105 1HD LYS 105 13.339 -4.090 3.751 857 HD3 LYS 105 2HD LYS 105 13.621 -5.564 2.846 858 HE2 LYS 105 1HE LYS 105 14.240 -4.238 0.833 859 HE3 LYS 105 2HE LYS 105 13.896 -2.748 1.689 860 HZ1 LYS 105 1HZ LYS 105 15.617 -4.188 3.275 861 HZ2 LYS 105 2HZ LYS 105 16.220 -4.292 1.761 862 HZ3 LYS 105 3HZ LYS 105 15.950 -2.828 2.433 863 H LYS 106 H LYS 106 10.989 -6.001 5.853 864 HA LYS 106 HA LYS 106 12.853 -7.923 5.358 865 HB2 LYS 106 1HB LYS 106 11.159 -7.357 7.797 866 HB3 LYS 106 2HB LYS 106 12.418 -8.575 7.801 867 HG2 LYS 106 1HG LYS 106 12.906 -5.683 6.952 868 HG3 LYS 106 2HG LYS 106 13.131 -6.246 8.597 869 HD2 LYS 106 1HD LYS 106 15.207 -6.968 8.052 870 HD3 LYS 106 2HD LYS 106 14.502 -8.123 6.938 871 HE2 LYS 106 1HE LYS 106 14.312 -5.849 5.421 872 HE3 LYS 106 2HE LYS 106 15.723 -5.445 6.379 873 HZ1 LYS 106 1HZ LYS 106 16.120 -6.708 4.279 874 HZ2 LYS 106 2HZ LYS 106 16.826 -7.334 5.613 875 HZ3 LYS 106 3HZ LYS 106 15.475 -8.021 5.005 876 H PHE 107 H PHE 107 9.393 -8.458 6.329 877 HA PHE 107 HA PHE 107 9.480 -11.214 6.227 878 HB2 PHE 107 1HB PHE 107 7.669 -9.468 7.017 879 HB3 PHE 107 2HB PHE 107 7.168 -9.399 5.339 880 HD1 PHE 107 2HD PHE 107 7.653 -11.793 8.145 881 HD2 PHE 107 1HD PHE 107 5.623 -10.940 4.517 882 HE1 PHE 107 2HE PHE 107 6.171 -13.787 8.505 883 HE2 PHE 107 1HE PHE 107 4.142 -12.933 4.877 884 HZ PHE 107 HZ PHE 107 4.433 -14.333 6.867 885 H PHE 108 H PHE 108 8.542 -8.841 3.642 886 HA PHE 108 HA PHE 108 7.793 -10.570 1.697 887 HB2 PHE 108 1HB PHE 108 9.102 -7.879 1.947 888 HB3 PHE 108 2HB PHE 108 9.316 -8.620 0.373 889 HD1 PHE 108 1HD PHE 108 6.388 -8.693 2.684 890 HD2 PHE 108 2HD PHE 108 7.924 -7.474 -1.079 891 HE1 PHE 108 1HE PHE 108 4.102 -7.911 2.004 892 HE2 PHE 108 2HE PHE 108 5.638 -6.692 -1.759 893 HZ PHE 108 HZ PHE 108 3.754 -6.920 -0.210 894 H ASP 109 H ASP 109 11.177 -9.368 2.283 895 HA ASP 109 HA ASP 109 12.450 -10.601 0.302 896 HB2 ASP 109 1HB ASP 109 13.226 -9.287 2.550 897 HB3 ASP 109 2HB ASP 109 13.679 -10.910 3.030 898 H SER 110 H SER 110 11.901 -12.011 3.627 899 HA SER 110 HA SER 110 12.957 -14.416 3.362 900 HB2 SER 110 1HB SER 110 10.684 -13.292 4.864 901 HB3 SER 110 2HB SER 110 10.518 -15.017 4.606 902 HG SER 110 HG SER 110 11.996 -13.838 6.463 903 H GLY 111 H GLY 111 9.545 -13.602 2.378 904 HA2 GLY 111 1HA GLY 111 8.272 -14.420 0.704 905 HA3 GLY 111 2HA GLY 111 9.684 -15.214 0.036 906 HA PRO 112 HA PRO 112 7.399 -18.108 3.060 907 HB2 PRO 112 1HB PRO 112 4.698 -17.730 3.239 908 HB3 PRO 112 2HB PRO 112 5.832 -17.128 4.433 909 HG2 PRO 112 1HG PRO 112 4.378 -15.633 2.338 910 HG3 PRO 112 2HG PRO 112 5.163 -15.020 3.779 911 HD2 PRO 112 1HD PRO 112 6.159 -14.883 1.093 912 HD3 PRO 112 2HD PRO 112 6.994 -14.374 2.548 913 H SER 113 H SER 113 5.894 -20.031 2.734 914 HA SER 113 HA SER 113 5.418 -20.194 -0.138 915 HB2 SER 113 1HB SER 113 7.097 -21.882 1.597 916 HB3 SER 113 2HB SER 113 5.913 -22.822 0.711 917 HG SER 113 HG SER 113 8.091 -21.262 -0.261 918 H SER 114 H SER 114 4.778 -21.875 3.033 919 HA SER 114 HA SER 114 3.021 -22.936 3.774 920 HB2 SER 114 1HB SER 114 0.843 -21.641 3.631 921 HB3 SER 114 2HB SER 114 2.209 -20.718 4.226 922 HG SER 114 HG SER 114 0.732 -19.780 2.446 923 H GLY 115 H GLY 115 3.335 -24.778 2.278 924 HA2 GLY 115 1HA GLY 115 1.315 -26.005 1.216 925 HA3 GLY 115 2HA GLY 115 1.537 -24.810 -0.046 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 24.061 9.779 -17.594 2 HA2 GLY 1 1HA GLY 1 25.005 7.140 -18.451 3 HA3 GLY 1 2HA GLY 1 25.858 7.936 -17.144 4 H SER 2 H SER 2 25.176 7.434 -15.112 5 HA SER 2 HA SER 2 22.331 7.016 -14.754 6 HB2 SER 2 1HB SER 2 24.447 5.123 -13.641 7 HB3 SER 2 2HB SER 2 22.716 4.991 -13.402 8 HG SER 2 HG SER 2 22.768 5.010 -15.953 9 H SER 3 H SER 3 21.588 8.084 -12.934 10 HA SER 3 HA SER 3 23.404 9.657 -11.502 11 HB2 SER 3 1HB SER 3 21.461 10.434 -10.271 12 HB3 SER 3 2HB SER 3 21.006 10.249 -11.953 13 HG SER 3 HG SER 3 19.445 9.353 -10.383 14 H GLY 4 H GLY 4 23.327 9.655 -8.945 15 HA2 GLY 4 1HA GLY 4 23.289 6.889 -7.924 16 HA3 GLY 4 2HA GLY 4 24.714 7.888 -7.721 17 H SER 5 H SER 5 23.489 6.924 -5.444 18 HA SER 5 HA SER 5 22.965 9.295 -4.082 19 HB2 SER 5 1HB SER 5 20.632 9.023 -3.466 20 HB3 SER 5 2HB SER 5 20.738 9.040 -5.215 21 HG SER 5 HG SER 5 19.999 7.026 -5.305 22 H SER 6 H SER 6 22.268 8.734 -1.692 23 HA SER 6 HA SER 6 22.942 6.002 -1.039 24 HB2 SER 6 1HB SER 6 24.540 6.794 0.745 25 HB3 SER 6 2HB SER 6 25.109 7.064 -0.890 26 HG SER 6 HG SER 6 24.234 9.299 -0.678 27 H GLY 7 H GLY 7 22.205 9.309 0.289 28 HA2 GLY 7 1HA GLY 7 20.711 10.001 1.817 29 HA3 GLY 7 2HA GLY 7 19.743 8.602 1.400 30 H GLN 8 H GLN 8 19.335 8.998 3.892 31 HA GLN 8 HA GLN 8 21.001 7.050 5.215 32 HB2 GLN 8 1HB GLN 8 21.713 9.591 5.650 33 HB3 GLN 8 2HB GLN 8 20.363 9.556 6.767 34 HG2 GLN 8 1HG GLN 8 21.334 7.787 8.069 35 HG3 GLN 8 2HG GLN 8 22.480 7.373 6.809 36 HE21 GLN 8 1HE2 GLN 8 24.306 8.601 6.472 37 HE22 GLN 8 2HE2 GLN 8 24.894 9.773 7.603 38 H ARG 9 H ARG 9 19.394 5.536 5.531 39 HA ARG 9 HA ARG 9 17.598 4.607 6.290 40 HB2 ARG 9 1HB ARG 9 17.913 6.920 8.178 41 HB3 ARG 9 2HB ARG 9 16.352 6.123 8.205 42 HG2 ARG 9 1HG ARG 9 18.295 4.031 8.140 43 HG3 ARG 9 2HG ARG 9 18.893 5.204 9.297 44 HD2 ARG 9 1HD ARG 9 16.197 5.093 9.965 45 HD3 ARG 9 2HD ARG 9 16.500 3.443 9.458 46 HE ARG 9 HE ARG 9 17.627 4.786 11.814 47 HH11 ARG 9 2HH2 ARG 9 17.958 2.091 9.576 48 HH12 ARG 9 1HH2 ARG 9 18.889 1.128 10.674 49 HH21 ARG 9 2HH1 ARG 9 18.856 3.516 13.263 50 HH22 ARG 9 1HH1 ARG 9 19.403 1.944 12.785 51 H ARG 10 H ARG 10 15.062 4.908 6.577 52 HA ARG 10 HA ARG 10 13.155 5.569 5.799 53 HB2 ARG 10 1HB ARG 10 14.693 8.130 5.734 54 HB3 ARG 10 2HB ARG 10 13.294 8.098 4.680 55 HG2 ARG 10 1HG ARG 10 12.043 7.112 6.798 56 HG3 ARG 10 2HG ARG 10 13.393 7.780 7.693 57 HD2 ARG 10 1HD ARG 10 11.286 9.232 6.079 58 HD3 ARG 10 2HD ARG 10 11.849 9.567 7.705 59 HE ARG 10 HE ARG 10 13.780 10.673 6.813 60 HH11 ARG 10 2HH2 ARG 10 11.698 9.383 4.286 61 HH12 ARG 10 1HH2 ARG 10 12.430 10.321 3.027 62 HH21 ARG 10 2HH1 ARG 10 14.746 11.910 5.152 63 HH22 ARG 10 1HH1 ARG 10 14.176 11.768 3.523 64 H HIS 11 H HIS 11 15.314 7.442 3.544 65 HA HIS 11 HA HIS 11 13.967 6.840 1.256 66 HB2 HIS 11 1HB HIS 11 16.964 7.213 1.487 67 HB3 HIS 11 2HB HIS 11 15.974 7.503 0.070 68 HD1 HIS 11 1HD HIS 11 17.396 9.202 2.951 69 HD2 HIS 11 2HD HIS 11 13.999 9.710 0.543 70 HE1 HIS 11 1HE HIS 11 16.596 11.593 3.339 71 H ASP 12 H ASP 12 15.925 4.750 3.249 72 HA ASP 12 HA ASP 12 16.887 2.992 1.398 73 HB2 ASP 12 1HB ASP 12 17.161 3.097 3.996 74 HB3 ASP 12 2HB ASP 12 15.702 2.129 4.065 75 H MET 13 H MET 13 13.653 3.285 2.971 76 HA MET 13 HA MET 13 12.709 0.885 1.752 77 HB2 MET 13 1HB MET 13 11.098 3.116 3.102 78 HB3 MET 13 2HB MET 13 10.614 1.441 2.918 79 HG2 MET 13 1HG MET 13 13.006 2.390 4.572 80 HG3 MET 13 2HG MET 13 11.443 1.957 5.234 81 HE1 MET 13 1HE MET 13 11.039 -1.735 4.262 82 HE2 MET 13 2HE MET 13 10.256 -0.138 4.216 83 HE3 MET 13 3HE MET 13 11.108 -0.752 2.779 84 H LEU 14 H LEU 14 11.987 4.436 1.447 85 HA LEU 14 HA LEU 14 10.099 4.403 -0.465 86 HB2 LEU 14 1HB LEU 14 12.415 6.308 -0.633 87 HB3 LEU 14 2HB LEU 14 10.726 6.595 -1.000 88 HG LEU 14 HG LEU 14 12.054 6.383 1.698 89 HD11 LEU 14 1HD1 LEU 14 10.470 8.490 0.232 90 HD12 LEU 14 2HD1 LEU 14 10.707 8.543 1.995 91 HD13 LEU 14 3HD1 LEU 14 12.114 8.587 0.907 92 HD21 LEU 14 1HD2 LEU 14 9.806 6.490 2.732 93 HD22 LEU 14 2HD2 LEU 14 9.083 6.202 1.131 94 HD23 LEU 14 3HD2 LEU 14 10.114 4.958 1.878 95 H ALA 15 H ALA 15 13.633 3.882 -0.918 96 HA ALA 15 HA ALA 15 13.555 3.831 -3.718 97 HB1 ALA 15 1HB ALA 15 15.776 2.932 -3.531 98 HB2 ALA 15 2HB ALA 15 15.567 4.081 -2.188 99 HB3 ALA 15 3HB ALA 15 15.461 2.330 -1.886 100 H TRP 16 H TRP 16 13.280 1.238 -1.205 101 HA TRP 16 HA TRP 16 13.254 -0.966 -2.782 102 HB2 TRP 16 1HB TRP 16 13.144 -0.959 -0.333 103 HB3 TRP 16 2HB TRP 16 11.483 -0.405 -0.397 104 HD1 TRP 16 HD TRP 16 13.395 -3.465 -1.940 105 HE1 TRP 16 1HE TRP 16 11.938 -5.655 -1.728 106 HE3 TRP 16 3HE TRP 16 9.410 -1.228 0.290 107 HZ2 TRP 16 2HZ TRP 16 9.341 -6.194 -0.674 108 HZ3 TRP 16 3HZ TRP 16 7.455 -2.658 0.877 109 HH2 TRP 16 HH TRP 16 7.378 -5.059 0.430 110 H ILE 17 H ILE 17 10.284 0.883 -1.757 111 HA ILE 17 HA ILE 17 8.601 -0.400 -3.571 112 HB ILE 17 HB ILE 17 8.445 2.202 -2.069 113 HG12 ILE 17 1HG1 ILE 17 6.425 0.406 -1.300 114 HG13 ILE 17 2HG1 ILE 17 7.859 -0.583 -1.491 115 HG21 ILE 17 1HG2 ILE 17 7.105 2.653 -3.956 116 HG22 ILE 17 2HG2 ILE 17 6.435 1.004 -3.979 117 HG23 ILE 17 3HG2 ILE 17 5.980 2.132 -2.679 118 HD11 ILE 17 1HD1 ILE 17 7.619 0.398 0.818 119 HD12 ILE 17 2HD1 ILE 17 9.140 0.860 0.016 120 HD13 ILE 17 3HD1 ILE 17 7.792 2.019 0.104 121 H ASN 18 H ASN 18 10.017 2.948 -3.743 122 HA ASN 18 HA ASN 18 9.174 3.745 -6.088 123 HB2 ASN 18 1HB ASN 18 11.915 3.925 -4.806 124 HB3 ASN 18 2HB ASN 18 11.713 4.583 -6.418 125 HD21 ASN 18 1HD2 ASN 18 12.394 6.427 -4.848 126 HD22 ASN 18 2HD2 ASN 18 11.108 7.428 -4.261 127 H GLU 19 H GLU 19 11.909 1.426 -5.525 128 HA GLU 19 HA GLU 19 12.049 0.967 -8.379 129 HB2 GLU 19 1HB GLU 19 13.907 0.725 -6.099 130 HB3 GLU 19 2HB GLU 19 13.965 -0.665 -7.164 131 HG2 GLU 19 1HG GLU 19 13.856 1.605 -8.883 132 HG3 GLU 19 2HG GLU 19 14.984 2.034 -7.612 133 H SER 20 H SER 20 9.680 0.046 -7.817 134 HA SER 20 HA SER 20 10.022 -2.782 -7.928 135 HB2 SER 20 1HB SER 20 8.495 -1.476 -5.640 136 HB3 SER 20 2HB SER 20 8.237 -3.144 -6.113 137 HG SER 20 HG SER 20 10.586 -1.932 -4.986 138 H LEU 21 H LEU 21 7.792 0.050 -7.645 139 HA LEU 21 HA LEU 21 6.191 -1.169 -9.782 140 HB2 LEU 21 1HB LEU 21 4.945 0.556 -7.675 141 HB3 LEU 21 2HB LEU 21 4.191 -0.586 -8.770 142 HG LEU 21 HG LEU 21 6.108 -1.670 -6.750 143 HD11 LEU 21 1HD1 LEU 21 4.030 -1.837 -5.187 144 HD12 LEU 21 2HD1 LEU 21 5.005 -0.347 -5.209 145 HD13 LEU 21 3HD1 LEU 21 3.460 -0.414 -6.092 146 HD21 LEU 21 1HD2 LEU 21 3.810 -2.613 -8.368 147 HD22 LEU 21 2HD2 LEU 21 5.314 -3.442 -7.902 148 HD23 LEU 21 3HD2 LEU 21 3.972 -3.311 -6.739 149 H GLN 22 H GLN 22 8.403 1.141 -9.037 150 HA GLN 22 HA GLN 22 9.063 2.913 -10.124 151 HB2 GLN 22 1HB GLN 22 7.203 1.798 -11.976 152 HB3 GLN 22 2HB GLN 22 6.865 3.517 -11.928 153 HG2 GLN 22 1HG GLN 22 9.157 4.080 -12.491 154 HG3 GLN 22 2HG GLN 22 9.699 2.436 -12.223 155 HE21 GLN 22 1HE2 GLN 22 10.428 1.873 -14.163 156 HE22 GLN 22 2HE2 GLN 22 9.503 1.825 -15.627 157 H LEU 23 H LEU 23 8.223 3.499 -7.748 158 HA LEU 23 HA LEU 23 6.067 5.462 -7.953 159 HB2 LEU 23 1HB LEU 23 7.405 4.361 -5.482 160 HB3 LEU 23 2HB LEU 23 5.959 5.348 -5.554 161 HG LEU 23 HG LEU 23 5.275 3.116 -5.120 162 HD11 LEU 23 1HD1 LEU 23 4.748 3.370 -8.076 163 HD12 LEU 23 2HD1 LEU 23 3.679 2.767 -6.787 164 HD13 LEU 23 3HD1 LEU 23 4.043 4.505 -6.899 165 HD21 LEU 23 1HD2 LEU 23 6.389 1.922 -7.601 166 HD22 LEU 23 2HD2 LEU 23 7.537 2.270 -6.286 167 HD23 LEU 23 3HD2 LEU 23 6.138 1.212 -5.988 168 H ASN 24 H ASN 24 7.032 6.941 -5.580 169 HA ASN 24 HA ASN 24 9.608 7.864 -6.032 170 HB2 ASN 24 1HB ASN 24 8.081 8.803 -8.057 171 HB3 ASN 24 2HB ASN 24 7.621 9.993 -6.857 172 HD21 ASN 24 1HD2 ASN 24 8.910 11.648 -6.437 173 HD22 ASN 24 2HD2 ASN 24 10.522 11.871 -7.031 174 H LEU 25 H LEU 25 8.511 7.126 -3.701 175 HA LEU 25 HA LEU 25 7.028 9.206 -2.424 176 HB2 LEU 25 1HB LEU 25 8.425 6.834 -1.187 177 HB3 LEU 25 2HB LEU 25 7.154 7.807 -0.474 178 HG LEU 25 HG LEU 25 6.937 5.843 -2.757 179 HD11 LEU 25 1HD1 LEU 25 6.819 4.808 -0.605 180 HD12 LEU 25 2HD1 LEU 25 5.661 6.026 -0.018 181 HD13 LEU 25 3HD1 LEU 25 5.172 4.866 -1.277 182 HD21 LEU 25 1HD2 LEU 25 5.207 8.174 -2.127 183 HD22 LEU 25 2HD2 LEU 25 5.505 7.339 -3.671 184 HD23 LEU 25 3HD2 LEU 25 4.389 6.632 -2.478 185 H THR 26 H THR 26 7.748 10.632 -0.763 186 HA THR 26 HA THR 26 10.670 11.022 -0.784 187 HB THR 26 HB THR 26 10.067 13.449 -0.428 188 HG1 THR 26 1HG THR 26 7.829 13.910 -0.357 189 HG21 THR 26 1HG2 THR 26 10.217 13.410 -2.728 190 HG22 THR 26 2HG2 THR 26 9.312 11.882 -2.843 191 HG23 THR 26 3HG2 THR 26 8.438 13.425 -2.683 192 H LYS 27 H LYS 27 7.823 10.336 1.101 193 HA LYS 27 HA LYS 27 9.518 10.396 3.477 194 HB2 LYS 27 1HB LYS 27 6.741 11.610 3.347 195 HB3 LYS 27 2HB LYS 27 7.697 11.400 4.800 196 HG2 LYS 27 1HG LYS 27 8.604 13.027 2.379 197 HG3 LYS 27 2HG LYS 27 7.848 13.721 3.799 198 HD2 LYS 27 1HD LYS 27 10.056 11.973 4.586 199 HD3 LYS 27 2HD LYS 27 10.611 13.159 3.421 200 HE2 LYS 27 1HE LYS 27 9.151 14.816 4.990 201 HE3 LYS 27 2HE LYS 27 9.502 13.586 6.187 202 HZ1 LYS 27 1HZ LYS 27 11.633 14.683 4.515 203 HZ2 LYS 27 2HZ LYS 27 11.154 15.455 5.872 204 HZ3 LYS 27 3HZ LYS 27 11.757 13.939 5.964 205 H ILE 28 H ILE 28 8.910 8.836 5.091 206 HA ILE 28 HA ILE 28 7.906 6.465 3.986 207 HB ILE 28 HB ILE 28 8.728 7.413 6.692 208 HG12 ILE 28 1HG1 ILE 28 10.299 6.586 4.857 209 HG13 ILE 28 2HG1 ILE 28 10.481 5.882 6.452 210 HG21 ILE 28 1HG2 ILE 28 7.005 5.024 6.131 211 HG22 ILE 28 2HG2 ILE 28 8.252 4.939 7.398 212 HG23 ILE 28 3HG2 ILE 28 6.967 6.167 7.495 213 HD11 ILE 28 1HD1 ILE 28 9.941 4.535 3.976 214 HD12 ILE 28 2HD1 ILE 28 10.131 3.820 5.595 215 HD13 ILE 28 3HD1 ILE 28 8.520 4.321 5.028 216 H GLU 29 H GLU 29 6.338 9.302 5.169 217 HA GLU 29 HA GLU 29 4.018 7.970 6.108 218 HB2 GLU 29 1HB GLU 29 5.079 10.644 6.110 219 HB3 GLU 29 2HB GLU 29 3.477 10.714 5.404 220 HG2 GLU 29 1HG GLU 29 2.885 9.095 7.479 221 HG3 GLU 29 2HG GLU 29 4.297 9.862 8.177 222 H GLN 30 H GLN 30 5.322 8.296 3.050 223 HA GLN 30 HA GLN 30 3.005 9.050 1.630 224 HB2 GLN 30 1HB GLN 30 5.707 7.910 0.917 225 HB3 GLN 30 2HB GLN 30 4.442 7.891 -0.295 226 HG2 GLN 30 1HG GLN 30 4.759 10.477 1.170 227 HG3 GLN 30 2HG GLN 30 6.112 10.028 0.151 228 HE21 GLN 30 1HE2 GLN 30 5.337 12.047 -0.905 229 HE22 GLN 30 2HE2 GLN 30 4.168 11.916 -2.176 230 H LEU 31 H LEU 31 3.775 6.282 3.409 231 HA LEU 31 HA LEU 31 2.266 4.521 1.627 232 HB2 LEU 31 1HB LEU 31 3.606 3.596 4.130 233 HB3 LEU 31 2HB LEU 31 3.285 2.727 2.643 234 HG LEU 31 HG LEU 31 5.116 4.948 2.194 235 HD11 LEU 31 1HD1 LEU 31 5.476 3.990 4.700 236 HD12 LEU 31 2HD1 LEU 31 6.498 2.865 3.775 237 HD13 LEU 31 3HD1 LEU 31 6.784 4.619 3.670 238 HD21 LEU 31 1HD2 LEU 31 4.550 2.718 0.883 239 HD22 LEU 31 2HD2 LEU 31 6.161 3.472 0.801 240 HD23 LEU 31 3HD2 LEU 31 5.883 2.079 1.874 241 H CYS 32 H CYS 32 1.155 6.820 3.259 242 HA CYS 32 HA CYS 32 -0.239 5.539 5.400 243 HB2 CYS 32 1HB CYS 32 -1.377 7.726 5.642 244 HB3 CYS 32 2HB CYS 32 0.370 7.865 5.651 245 HG CYS 32 HG CYS 32 -1.634 9.439 4.028 246 H SER 33 H SER 33 -0.512 5.758 1.971 247 HA SER 33 HA SER 33 -3.351 5.741 1.884 248 HB2 SER 33 1HB SER 33 -2.836 5.063 -0.587 249 HB3 SER 33 2HB SER 33 -2.388 6.668 -0.046 250 HG SER 33 HG SER 33 -0.247 6.137 -0.040 251 H GLY 34 H GLY 34 -0.705 3.333 1.217 252 HA2 GLY 34 1HA GLY 34 -0.722 1.112 1.849 253 HA3 GLY 34 2HA GLY 34 -2.440 1.197 2.185 254 H ALA 35 H ALA 35 -0.603 2.172 -0.788 255 HA ALA 35 HA ALA 35 -2.283 0.263 -2.265 256 HB1 ALA 35 1HB ALA 35 -2.163 2.991 -2.545 257 HB2 ALA 35 2HB ALA 35 -0.955 2.462 -3.739 258 HB3 ALA 35 3HB ALA 35 -2.628 1.863 -3.840 259 H ALA 36 H ALA 36 0.980 1.835 -2.086 260 HA ALA 36 HA ALA 36 2.331 0.517 -3.984 261 HB1 ALA 36 1HB ALA 36 3.634 2.006 -2.804 262 HB2 ALA 36 2HB ALA 36 2.996 1.485 -1.226 263 HB3 ALA 36 3HB ALA 36 4.206 0.489 -2.070 264 H TYR 37 H TYR 37 1.589 -0.765 -0.672 265 HA TYR 37 HA TYR 37 2.869 -3.194 -0.932 266 HB2 TYR 37 1HB TYR 37 0.146 -2.601 0.374 267 HB3 TYR 37 2HB TYR 37 1.306 -3.798 0.913 268 HD1 TYR 37 1HD TYR 37 3.799 -2.604 1.277 269 HD2 TYR 37 2HD TYR 37 -0.031 -0.760 1.759 270 HE1 TYR 37 1HE TYR 37 4.813 -0.895 2.864 271 HE2 TYR 37 2HE TYR 37 0.995 0.943 3.344 272 HH TYR 37 HH TYR 37 4.475 0.858 4.072 273 H CYS 38 H CYS 38 -0.576 -2.342 -1.706 274 HA CYS 38 HA CYS 38 -1.447 -4.809 -2.428 275 HB2 CYS 38 1HB CYS 38 -2.221 -2.030 -3.062 276 HB3 CYS 38 2HB CYS 38 -2.736 -3.209 -4.252 277 HG CYS 38 HG CYS 38 -3.677 -2.605 -1.261 278 H GLN 39 H GLN 39 -0.153 -2.255 -4.690 279 HA GLN 39 HA GLN 39 -0.049 -3.766 -6.920 280 HB2 GLN 39 1HB GLN 39 0.882 -1.239 -6.105 281 HB3 GLN 39 2HB GLN 39 2.323 -2.048 -6.688 282 HG2 GLN 39 1HG GLN 39 0.608 -2.757 -8.681 283 HG3 GLN 39 2HG GLN 39 -0.155 -1.259 -8.189 284 HE21 GLN 39 1HE2 GLN 39 2.139 -2.638 -10.127 285 HE22 GLN 39 2HE2 GLN 39 3.119 -1.262 -10.511 286 H PHE 40 H PHE 40 2.578 -3.376 -4.441 287 HA PHE 40 HA PHE 40 4.472 -4.956 -5.616 288 HB2 PHE 40 1HB PHE 40 3.926 -3.657 -3.150 289 HB3 PHE 40 2HB PHE 40 4.114 -5.336 -2.681 290 HD1 PHE 40 2HD PHE 40 6.183 -6.049 -4.834 291 HD2 PHE 40 1HD PHE 40 5.883 -2.807 -2.113 292 HE1 PHE 40 2HE PHE 40 8.678 -5.782 -4.877 293 HE2 PHE 40 1HE PHE 40 8.378 -2.540 -2.155 294 HZ PHE 40 HZ PHE 40 9.746 -4.031 -3.537 295 H MET 41 H MET 41 1.701 -5.934 -3.509 296 HA MET 41 HA MET 41 2.427 -8.575 -3.245 297 HB2 MET 41 1HB MET 41 -0.053 -6.910 -3.003 298 HB3 MET 41 2HB MET 41 -0.357 -8.618 -3.253 299 HG2 MET 41 1HG MET 41 1.475 -7.495 -1.077 300 HG3 MET 41 2HG MET 41 -0.188 -7.980 -0.815 301 HE1 MET 41 1HE MET 41 -1.010 -9.788 -0.389 302 HE2 MET 41 2HE MET 41 -0.583 -11.403 -1.006 303 HE3 MET 41 3HE MET 41 0.019 -10.868 0.582 304 H ASP 42 H ASP 42 -0.058 -7.182 -5.519 305 HA ASP 42 HA ASP 42 -0.709 -9.356 -6.879 306 HB2 ASP 42 1HB ASP 42 -1.753 -7.345 -7.547 307 HB3 ASP 42 2HB ASP 42 -0.230 -6.500 -7.743 308 H MET 43 H MET 43 2.257 -7.328 -7.298 309 HA MET 43 HA MET 43 3.208 -8.600 -9.566 310 HB2 MET 43 1HB MET 43 4.020 -6.557 -7.727 311 HB3 MET 43 2HB MET 43 5.343 -7.706 -7.757 312 HG2 MET 43 1HG MET 43 5.379 -7.575 -10.271 313 HG3 MET 43 2HG MET 43 4.086 -6.394 -10.217 314 HE1 MET 43 1HE MET 43 8.370 -6.223 -9.025 315 HE2 MET 43 2HE MET 43 7.453 -6.074 -7.507 316 HE3 MET 43 3HE MET 43 7.175 -7.465 -8.582 317 H LEU 44 H LEU 44 3.577 -9.325 -6.066 318 HA LEU 44 HA LEU 44 5.467 -11.424 -6.579 319 HB2 LEU 44 1HB LEU 44 3.996 -10.564 -4.084 320 HB3 LEU 44 2HB LEU 44 5.205 -11.831 -4.139 321 HG LEU 44 HG LEU 44 5.668 -8.908 -4.792 322 HD11 LEU 44 1HD1 LEU 44 5.466 -10.170 -2.301 323 HD12 LEU 44 2HD1 LEU 44 7.212 -9.978 -2.591 324 HD13 LEU 44 3HD1 LEU 44 6.139 -8.560 -2.650 325 HD21 LEU 44 1HD2 LEU 44 8.070 -9.529 -4.849 326 HD22 LEU 44 2HD2 LEU 44 7.599 -11.242 -4.752 327 HD23 LEU 44 3HD2 LEU 44 7.116 -10.265 -6.159 328 H PHE 45 H PHE 45 2.074 -11.274 -5.276 329 HA PHE 45 HA PHE 45 1.750 -14.000 -6.320 330 HB2 PHE 45 1HB PHE 45 0.317 -12.502 -4.044 331 HB3 PHE 45 2HB PHE 45 0.054 -14.184 -4.459 332 HD1 PHE 45 2HD PHE 45 1.842 -15.856 -4.025 333 HD2 PHE 45 1HD PHE 45 2.173 -11.839 -2.697 334 HE1 PHE 45 2HE PHE 45 3.651 -16.535 -2.422 335 HE2 PHE 45 1HE PHE 45 3.982 -12.518 -1.095 336 HZ PHE 45 HZ PHE 45 4.699 -14.857 -0.976 337 HA PRO 46 HA PRO 46 -1.163 -11.831 -8.828 338 HB2 PRO 46 1HB PRO 46 -1.405 -13.752 -10.757 339 HB3 PRO 46 2HB PRO 46 -0.181 -12.499 -10.801 340 HG2 PRO 46 1HG PRO 46 0.120 -15.360 -10.123 341 HG3 PRO 46 2HG PRO 46 1.355 -14.205 -10.583 342 HD2 PRO 46 1HD PRO 46 0.807 -15.168 -7.938 343 HD3 PRO 46 2HD PRO 46 1.963 -13.929 -8.383 344 H GLY 47 H GLY 47 -3.098 -11.562 -7.910 345 HA2 GLY 47 1HA GLY 47 -5.336 -12.298 -7.905 346 HA3 GLY 47 2HA GLY 47 -4.796 -13.965 -7.918 347 H SER 48 H SER 48 -3.148 -11.615 -5.836 348 HA SER 48 HA SER 48 -4.253 -13.049 -3.570 349 HB2 SER 48 1HB SER 48 -2.319 -12.105 -2.315 350 HB3 SER 48 2HB SER 48 -1.811 -13.034 -3.712 351 HG SER 48 HG SER 48 -1.391 -11.110 -4.865 352 H ILE 49 H ILE 49 -3.895 -9.826 -5.073 353 HA ILE 49 HA ILE 49 -5.598 -8.745 -2.935 354 HB ILE 49 HB ILE 49 -4.042 -6.846 -4.549 355 HG12 ILE 49 1HG1 ILE 49 -2.457 -8.789 -4.292 356 HG13 ILE 49 2HG1 ILE 49 -1.907 -7.265 -3.623 357 HG21 ILE 49 1HG2 ILE 49 -3.546 -6.217 -1.994 358 HG22 ILE 49 2HG2 ILE 49 -5.048 -5.761 -2.833 359 HG23 ILE 49 3HG2 ILE 49 -5.023 -7.183 -1.763 360 HD11 ILE 49 1HD1 ILE 49 -3.439 -9.092 -1.790 361 HD12 ILE 49 2HD1 ILE 49 -1.774 -9.553 -2.220 362 HD13 ILE 49 3HD1 ILE 49 -2.088 -7.991 -1.425 363 H ALA 50 H ALA 50 -6.610 -6.506 -4.012 364 HA ALA 50 HA ALA 50 -7.871 -7.454 -6.495 365 HB1 ALA 50 1HB ALA 50 -8.992 -6.765 -3.941 366 HB2 ALA 50 2HB ALA 50 -9.513 -5.549 -5.132 367 HB3 ALA 50 3HB ALA 50 -9.835 -7.275 -5.424 368 H LEU 51 H LEU 51 -5.657 -6.272 -7.144 369 HA LEU 51 HA LEU 51 -5.211 -3.637 -6.950 370 HB2 LEU 51 1HB LEU 51 -4.435 -5.754 -8.647 371 HB3 LEU 51 2HB LEU 51 -4.865 -4.418 -9.696 372 HG LEU 51 HG LEU 51 -2.783 -4.432 -7.500 373 HD11 LEU 51 1HD1 LEU 51 -1.865 -5.438 -9.404 374 HD12 LEU 51 2HD1 LEU 51 -2.676 -4.305 -10.511 375 HD13 LEU 51 3HD1 LEU 51 -1.327 -3.744 -9.495 376 HD21 LEU 51 1HD2 LEU 51 -4.215 -2.171 -8.750 377 HD22 LEU 51 2HD2 LEU 51 -3.342 -2.275 -7.202 378 HD23 LEU 51 3HD2 LEU 51 -2.441 -2.030 -8.718 379 H LYS 52 H LYS 52 -7.887 -5.221 -8.643 380 HA LYS 52 HA LYS 52 -8.641 -2.730 -9.923 381 HB2 LYS 52 1HB LYS 52 -9.113 -5.553 -10.365 382 HB3 LYS 52 2HB LYS 52 -10.635 -4.686 -10.306 383 HG2 LYS 52 1HG LYS 52 -8.444 -3.363 -11.864 384 HG3 LYS 52 2HG LYS 52 -9.072 -4.849 -12.547 385 HD2 LYS 52 1HD LYS 52 -10.468 -3.175 -13.484 386 HD3 LYS 52 2HD LYS 52 -11.436 -3.832 -12.179 387 HE2 LYS 52 1HE LYS 52 -11.269 -1.912 -10.890 388 HE3 LYS 52 2HE LYS 52 -9.640 -1.556 -11.429 389 HZ1 LYS 52 1HZ LYS 52 -12.028 -0.534 -12.406 390 HZ2 LYS 52 2HZ LYS 52 -10.507 -0.153 -12.862 391 HZ3 LYS 52 3HZ LYS 52 -11.311 -1.354 -13.622 392 H LYS 53 H LYS 53 -8.507 -2.394 -7.176 393 HA LYS 53 HA LYS 53 -11.210 -1.672 -6.636 394 HB2 LYS 53 1HB LYS 53 -10.766 -4.232 -5.958 395 HB3 LYS 53 2HB LYS 53 -10.136 -3.469 -4.512 396 HG2 LYS 53 1HG LYS 53 -12.361 -2.055 -4.566 397 HG3 LYS 53 2HG LYS 53 -12.941 -3.294 -5.662 398 HD2 LYS 53 1HD LYS 53 -11.893 -3.750 -2.829 399 HD3 LYS 53 2HD LYS 53 -13.568 -3.841 -3.333 400 HE2 LYS 53 1HE LYS 53 -12.438 -5.603 -5.114 401 HE3 LYS 53 2HE LYS 53 -11.351 -5.804 -3.753 402 HZ1 LYS 53 1HZ LYS 53 -14.033 -5.732 -2.898 403 HZ2 LYS 53 2HZ LYS 53 -13.825 -6.897 -4.024 404 HZ3 LYS 53 3HZ LYS 53 -12.910 -6.896 -2.671 405 H VAL 54 H VAL 54 -7.852 -2.193 -5.429 406 HA VAL 54 HA VAL 54 -7.850 -0.431 -3.343 407 HB VAL 54 HB VAL 54 -6.036 -1.951 -3.929 408 HG11 VAL 54 1HG1 VAL 54 -6.190 -1.460 -6.428 409 HG12 VAL 54 2HG1 VAL 54 -5.207 -0.012 -6.101 410 HG13 VAL 54 3HG1 VAL 54 -4.553 -1.630 -5.749 411 HG21 VAL 54 1HG2 VAL 54 -4.516 0.559 -4.053 412 HG22 VAL 54 2HG2 VAL 54 -5.802 0.566 -2.822 413 HG23 VAL 54 3HG2 VAL 54 -4.552 -0.702 -2.796 414 H LYS 55 H LYS 55 -7.255 1.815 -3.110 415 HA LYS 55 HA LYS 55 -7.919 3.351 -5.521 416 HB2 LYS 55 1HB LYS 55 -8.525 3.725 -2.610 417 HB3 LYS 55 2HB LYS 55 -8.332 5.148 -3.613 418 HG2 LYS 55 1HG LYS 55 -10.061 2.926 -4.686 419 HG3 LYS 55 2HG LYS 55 -10.703 3.876 -3.361 420 HD2 LYS 55 1HD LYS 55 -10.596 5.918 -4.610 421 HD3 LYS 55 2HD LYS 55 -9.501 5.238 -5.797 422 HE2 LYS 55 1HE LYS 55 -11.198 4.101 -6.932 423 HE3 LYS 55 2HE LYS 55 -12.178 3.896 -5.493 424 HZ1 LYS 55 1HZ LYS 55 -13.320 5.570 -6.374 425 HZ2 LYS 55 2HZ LYS 55 -12.156 6.539 -5.761 426 HZ3 LYS 55 3HZ LYS 55 -12.101 6.087 -7.330 427 H PHE 56 H PHE 56 -5.835 3.438 -6.437 428 HA PHE 56 HA PHE 56 -3.568 4.091 -4.887 429 HB2 PHE 56 1HB PHE 56 -4.371 4.046 -7.840 430 HB3 PHE 56 2HB PHE 56 -2.782 4.631 -7.387 431 HD1 PHE 56 1HD PHE 56 -4.039 2.053 -5.235 432 HD2 PHE 56 2HD PHE 56 -2.000 2.749 -8.892 433 HE1 PHE 56 1HE PHE 56 -3.178 -0.305 -5.205 434 HE2 PHE 56 2HE PHE 56 -1.140 0.391 -8.862 435 HZ PHE 56 HZ PHE 56 -1.740 -1.108 -7.019 436 H GLN 57 H GLN 57 -5.993 5.972 -6.725 437 HA GLN 57 HA GLN 57 -4.425 8.362 -6.285 438 HB2 GLN 57 1HB GLN 57 -6.594 7.538 -8.143 439 HB3 GLN 57 2HB GLN 57 -6.727 9.188 -7.568 440 HG2 GLN 57 1HG GLN 57 -4.227 9.457 -8.191 441 HG3 GLN 57 2HG GLN 57 -4.368 7.922 -9.024 442 HE21 GLN 57 1HE2 GLN 57 -3.692 9.499 -10.761 443 HE22 GLN 57 2HE2 GLN 57 -4.943 10.233 -11.708 444 H ALA 58 H ALA 58 -5.280 7.224 -3.890 445 HA ALA 58 HA ALA 58 -7.758 8.542 -3.152 446 HB1 ALA 58 1HB ALA 58 -7.734 6.479 -2.140 447 HB2 ALA 58 2HB ALA 58 -5.958 6.429 -2.034 448 HB3 ALA 58 3HB ALA 58 -6.892 7.402 -0.872 449 H LYS 59 H LYS 59 -7.873 10.475 -2.095 450 HA LYS 59 HA LYS 59 -5.312 11.584 -1.176 451 HB2 LYS 59 1HB LYS 59 -5.934 12.930 -2.970 452 HB3 LYS 59 2HB LYS 59 -7.646 12.815 -2.612 453 HG2 LYS 59 1HG LYS 59 -7.583 14.540 -1.099 454 HG3 LYS 59 2HG LYS 59 -6.061 14.014 -0.408 455 HD2 LYS 59 1HD LYS 59 -5.071 15.735 -1.509 456 HD3 LYS 59 2HD LYS 59 -5.343 14.846 -2.995 457 HE2 LYS 59 1HE LYS 59 -7.758 15.918 -2.911 458 HE3 LYS 59 2HE LYS 59 -7.041 17.050 -1.781 459 HZ1 LYS 59 1HZ LYS 59 -6.910 17.786 -4.079 460 HZ2 LYS 59 2HZ LYS 59 -5.424 17.627 -3.422 461 HZ3 LYS 59 3HZ LYS 59 -5.979 16.501 -4.466 462 H LEU 60 H LEU 60 -8.726 10.883 -0.472 463 HA LEU 60 HA LEU 60 -8.640 12.301 2.027 464 HB2 LEU 60 1HB LEU 60 -10.747 10.328 1.209 465 HB3 LEU 60 2HB LEU 60 -10.888 11.733 2.248 466 HG LEU 60 HG LEU 60 -11.860 12.665 0.454 467 HD11 LEU 60 1HD1 LEU 60 -9.365 13.571 0.676 468 HD12 LEU 60 2HD1 LEU 60 -9.266 12.940 -0.985 469 HD13 LEU 60 3HD1 LEU 60 -10.490 14.163 -0.569 470 HD21 LEU 60 1HD2 LEU 60 -10.395 11.271 -1.721 471 HD22 LEU 60 2HD2 LEU 60 -11.449 10.272 -0.691 472 HD23 LEU 60 3HD2 LEU 60 -12.122 11.671 -1.562 473 H GLU 61 H GLU 61 -8.998 11.207 4.134 474 HA GLU 61 HA GLU 61 -7.129 9.136 4.416 475 HB2 GLU 61 1HB GLU 61 -8.517 10.979 6.103 476 HB3 GLU 61 2HB GLU 61 -8.860 9.380 6.731 477 HG2 GLU 61 1HG GLU 61 -6.841 9.976 7.822 478 HG3 GLU 61 2HG GLU 61 -6.306 8.928 6.523 479 H HIS 62 H HIS 62 -10.738 9.283 4.826 480 HA HIS 62 HA HIS 62 -11.292 6.789 5.577 481 HB2 HIS 62 1HB HIS 62 -13.432 7.029 4.554 482 HB3 HIS 62 2HB HIS 62 -12.918 8.611 5.108 483 HD1 HIS 62 1HD HIS 62 -13.841 6.709 2.041 484 HD2 HIS 62 2HD HIS 62 -12.188 10.443 3.001 485 HE1 HIS 62 1HE HIS 62 -13.981 8.120 -0.081 486 H GLU 63 H GLU 63 -10.172 7.825 2.338 487 HA GLU 63 HA GLU 63 -10.701 5.415 1.062 488 HB2 GLU 63 1HB GLU 63 -8.420 7.302 0.364 489 HB3 GLU 63 2HB GLU 63 -9.321 6.265 -0.723 490 HG2 GLU 63 1HG GLU 63 -11.181 7.995 0.689 491 HG3 GLU 63 2HG GLU 63 -9.901 8.976 0.004 492 H TYR 64 H TYR 64 -7.587 6.731 2.416 493 HA TYR 64 HA TYR 64 -5.891 4.725 1.942 494 HB2 TYR 64 1HB TYR 64 -6.446 6.123 4.634 495 HB3 TYR 64 2HB TYR 64 -4.908 5.412 4.189 496 HD1 TYR 64 2HD TYR 64 -5.879 6.693 1.187 497 HD2 TYR 64 1HD TYR 64 -4.723 8.078 5.066 498 HE1 TYR 64 2HE TYR 64 -5.145 8.911 0.184 499 HE2 TYR 64 1HE TYR 64 -3.993 10.292 4.051 500 HH TYR 64 HH TYR 64 -4.563 10.983 0.638 501 H ILE 65 H ILE 65 -8.446 4.732 4.493 502 HA ILE 65 HA ILE 65 -7.697 2.438 5.811 503 HB ILE 65 HB ILE 65 -10.278 3.870 5.355 504 HG12 ILE 65 1HG1 ILE 65 -9.996 3.761 7.997 505 HG13 ILE 65 2HG1 ILE 65 -8.317 3.479 7.582 506 HG21 ILE 65 1HG2 ILE 65 -11.233 2.213 7.102 507 HG22 ILE 65 2HG2 ILE 65 -11.199 1.740 5.386 508 HG23 ILE 65 3HG2 ILE 65 -9.969 1.109 6.507 509 HD11 ILE 65 1HD1 ILE 65 -9.684 5.696 6.099 510 HD12 ILE 65 2HD1 ILE 65 -9.361 5.966 7.829 511 HD13 ILE 65 3HD1 ILE 65 -8.018 5.601 6.719 512 H GLN 66 H GLN 66 -10.332 2.599 3.311 513 HA GLN 66 HA GLN 66 -10.645 -0.036 2.965 514 HB2 GLN 66 1HB GLN 66 -10.772 2.215 0.922 515 HB3 GLN 66 2HB GLN 66 -11.286 0.583 0.543 516 HG2 GLN 66 1HG GLN 66 -12.605 0.991 2.932 517 HG3 GLN 66 2HG GLN 66 -12.585 2.622 2.291 518 HE21 GLN 66 1HE2 GLN 66 -13.508 -0.711 1.679 519 HE22 GLN 66 2HE2 GLN 66 -14.738 -0.408 0.497 520 H ASN 67 H ASN 67 -8.310 2.067 1.137 521 HA ASN 67 HA ASN 67 -7.249 0.388 -0.573 522 HB2 ASN 67 1HB ASN 67 -5.642 2.161 1.342 523 HB3 ASN 67 2HB ASN 67 -5.024 1.525 -0.169 524 HD21 ASN 67 1HD2 ASN 67 -4.691 3.501 -1.090 525 HD22 ASN 67 2HD2 ASN 67 -5.960 4.555 -1.620 526 H PHE 68 H PHE 68 -6.339 0.611 2.946 527 HA PHE 68 HA PHE 68 -4.516 -1.537 2.836 528 HB2 PHE 68 1HB PHE 68 -6.042 0.082 4.920 529 HB3 PHE 68 2HB PHE 68 -5.175 -1.342 5.457 530 HD1 PHE 68 2HD PHE 68 -2.656 -1.462 4.591 531 HD2 PHE 68 1HD PHE 68 -4.930 2.102 4.961 532 HE1 PHE 68 2HE PHE 68 -0.537 -0.123 4.720 533 HE2 PHE 68 1HE PHE 68 -2.811 3.440 5.091 534 HZ PHE 68 HZ PHE 68 -0.640 2.312 4.969 535 H LYS 69 H LYS 69 -7.941 -1.230 3.995 536 HA LYS 69 HA LYS 69 -8.367 -3.657 5.046 537 HB2 LYS 69 1HB LYS 69 -10.223 -2.153 3.178 538 HB3 LYS 69 2HB LYS 69 -10.708 -3.437 4.267 539 HG2 LYS 69 1HG LYS 69 -9.465 -1.905 6.090 540 HG3 LYS 69 2HG LYS 69 -9.785 -0.638 4.922 541 HD2 LYS 69 1HD LYS 69 -12.027 -0.622 5.372 542 HD3 LYS 69 2HD LYS 69 -12.136 -2.371 5.365 543 HE2 LYS 69 1HE LYS 69 -12.198 -2.392 7.631 544 HE3 LYS 69 2HE LYS 69 -10.619 -1.635 7.694 545 HZ1 LYS 69 1HZ LYS 69 -12.841 0.096 7.075 546 HZ2 LYS 69 2HZ LYS 69 -12.777 -0.479 8.603 547 HZ3 LYS 69 3HZ LYS 69 -11.526 0.380 8.000 548 H ILE 70 H ILE 70 -8.174 -2.862 1.535 549 HA ILE 70 HA ILE 70 -8.819 -5.479 0.695 550 HB ILE 70 HB ILE 70 -7.439 -3.171 -0.675 551 HG12 ILE 70 1HG1 ILE 70 -10.286 -4.184 -0.918 552 HG13 ILE 70 2HG1 ILE 70 -9.800 -2.828 0.080 553 HG21 ILE 70 1HG2 ILE 70 -8.672 -5.479 -2.146 554 HG22 ILE 70 2HG2 ILE 70 -7.461 -4.294 -2.692 555 HG23 ILE 70 3HG2 ILE 70 -6.996 -5.585 -1.558 556 HD11 ILE 70 1HD1 ILE 70 -9.116 -2.939 -2.882 557 HD12 ILE 70 2HD1 ILE 70 -10.662 -2.281 -2.294 558 HD13 ILE 70 3HD1 ILE 70 -9.128 -1.520 -1.808 559 H LEU 71 H LEU 71 -5.662 -3.689 0.914 560 HA LEU 71 HA LEU 71 -4.019 -5.721 0.144 561 HB2 LEU 71 1HB LEU 71 -3.272 -3.462 0.478 562 HB3 LEU 71 2HB LEU 71 -3.601 -3.549 2.197 563 HG LEU 71 HG LEU 71 -1.159 -3.784 1.281 564 HD11 LEU 71 1HD1 LEU 71 -0.826 -4.134 3.443 565 HD12 LEU 71 2HD1 LEU 71 -2.512 -4.674 3.632 566 HD13 LEU 71 3HD1 LEU 71 -1.240 -5.852 3.230 567 HD21 LEU 71 1HD2 LEU 71 -0.420 -5.808 0.512 568 HD22 LEU 71 2HD2 LEU 71 -1.730 -6.718 1.302 569 HD23 LEU 71 3HD2 LEU 71 -2.060 -5.790 -0.181 570 H GLN 72 H GLN 72 -5.254 -5.025 3.481 571 HA GLN 72 HA GLN 72 -3.943 -6.974 4.804 572 HB2 GLN 72 1HB GLN 72 -5.410 -5.280 5.862 573 HB3 GLN 72 2HB GLN 72 -6.829 -6.072 5.208 574 HG2 GLN 72 1HG GLN 72 -6.886 -7.302 7.117 575 HG3 GLN 72 2HG GLN 72 -5.491 -8.165 6.503 576 HE21 GLN 72 1HE2 GLN 72 -3.545 -7.923 7.416 577 HE22 GLN 72 2HE2 GLN 72 -3.186 -6.900 8.767 578 H ALA 73 H ALA 73 -6.811 -7.269 2.679 579 HA ALA 73 HA ALA 73 -7.502 -9.887 3.387 580 HB1 ALA 73 1HB ALA 73 -9.078 -9.631 1.753 581 HB2 ALA 73 2HB ALA 73 -8.574 -7.926 1.840 582 HB3 ALA 73 3HB ALA 73 -7.907 -8.989 0.576 583 H GLY 74 H GLY 74 -4.971 -8.504 1.311 584 HA2 GLY 74 1HA GLY 74 -4.382 -10.768 -0.236 585 HA3 GLY 74 2HA GLY 74 -3.297 -9.447 0.147 586 H PHE 75 H PHE 75 -3.815 -10.009 3.167 587 HA PHE 75 HA PHE 75 -1.698 -11.972 3.369 588 HB2 PHE 75 1HB PHE 75 -3.178 -10.007 5.191 589 HB3 PHE 75 2HB PHE 75 -2.116 -11.211 5.894 590 HD1 PHE 75 1HD PHE 75 -1.004 -10.129 2.681 591 HD2 PHE 75 2HD PHE 75 -0.978 -9.106 6.799 592 HE1 PHE 75 1HE PHE 75 0.965 -8.620 2.294 593 HE2 PHE 75 2HE PHE 75 0.990 -7.597 6.413 594 HZ PHE 75 HZ PHE 75 1.938 -7.373 4.165 595 H LYS 76 H LYS 76 -5.030 -11.411 4.707 596 HA LYS 76 HA LYS 76 -5.148 -13.874 6.036 597 HB2 LYS 76 1HB LYS 76 -7.341 -13.301 6.544 598 HB3 LYS 76 2HB LYS 76 -6.563 -11.744 6.347 599 HG2 LYS 76 1HG LYS 76 -8.122 -11.224 4.786 600 HG3 LYS 76 2HG LYS 76 -7.417 -12.439 3.739 601 HD2 LYS 76 1HD LYS 76 -9.001 -14.077 4.329 602 HD3 LYS 76 2HD LYS 76 -9.336 -13.348 5.887 603 HE2 LYS 76 1HE LYS 76 -10.017 -11.766 3.406 604 HE3 LYS 76 2HE LYS 76 -11.052 -13.114 3.833 605 HZ1 LYS 76 1HZ LYS 76 -11.999 -11.649 5.177 606 HZ2 LYS 76 2HZ LYS 76 -10.721 -11.856 6.172 607 HZ3 LYS 76 3HZ LYS 76 -10.750 -10.599 5.130 608 H ARG 77 H ARG 77 -5.154 -13.080 2.691 609 HA ARG 77 HA ARG 77 -6.811 -15.276 1.947 610 HB2 ARG 77 1HB ARG 77 -5.278 -13.107 0.526 611 HB3 ARG 77 2HB ARG 77 -5.612 -14.562 -0.392 612 HG2 ARG 77 1HG ARG 77 -8.068 -14.325 0.301 613 HG3 ARG 77 2HG ARG 77 -7.659 -12.764 0.985 614 HD2 ARG 77 1HD ARG 77 -6.610 -12.291 -1.412 615 HD3 ARG 77 2HD ARG 77 -7.635 -13.616 -1.925 616 HE ARG 77 HE ARG 77 -9.116 -11.704 -0.315 617 HH11 ARG 77 2HH2 ARG 77 -7.858 -12.281 -3.550 618 HH12 ARG 77 1HH2 ARG 77 -9.033 -11.271 -4.325 619 HH21 ARG 77 2HH1 ARG 77 -10.666 -10.371 -1.337 620 HH22 ARG 77 1HH1 ARG 77 -10.640 -10.178 -3.058 621 H MET 78 H MET 78 -3.300 -14.365 1.710 622 HA MET 78 HA MET 78 -2.608 -16.915 0.688 623 HB2 MET 78 1HB MET 78 -0.908 -14.658 1.891 624 HB3 MET 78 2HB MET 78 -0.257 -16.017 0.996 625 HG2 MET 78 1HG MET 78 -2.165 -13.890 -0.091 626 HG3 MET 78 2HG MET 78 -0.468 -14.060 -0.492 627 HE1 MET 78 1HE MET 78 -0.170 -16.424 -3.137 628 HE2 MET 78 2HE MET 78 0.544 -15.412 -1.859 629 HE3 MET 78 3HE MET 78 0.175 -17.123 -1.537 630 H GLY 79 H GLY 79 -2.065 -15.188 3.841 631 HA2 GLY 79 1HA GLY 79 -2.638 -16.814 5.732 632 HA3 GLY 79 2HA GLY 79 -1.344 -17.778 5.051 633 H VAL 80 H VAL 80 -1.940 -14.292 5.928 634 HA VAL 80 HA VAL 80 0.622 -14.368 7.353 635 HB VAL 80 HB VAL 80 -0.377 -12.261 5.430 636 HG11 VAL 80 1HG1 VAL 80 2.189 -12.110 7.025 637 HG12 VAL 80 2HG1 VAL 80 1.398 -10.837 6.066 638 HG13 VAL 80 3HG1 VAL 80 0.669 -11.382 7.596 639 HG21 VAL 80 1HG2 VAL 80 0.714 -14.193 4.372 640 HG22 VAL 80 2HG2 VAL 80 1.707 -12.724 4.220 641 HG23 VAL 80 3HG2 VAL 80 2.137 -13.968 5.418 642 H ASP 81 H ASP 81 -0.241 -14.478 9.416 643 HA ASP 81 HA ASP 81 -2.518 -12.943 10.082 644 HB2 ASP 81 1HB ASP 81 -0.607 -14.784 11.488 645 HB3 ASP 81 2HB ASP 81 -1.479 -13.653 12.502 646 H LYS 82 H LYS 82 -1.286 -10.875 9.211 647 HA LYS 82 HA LYS 82 0.343 -9.765 11.390 648 HB2 LYS 82 1HB LYS 82 1.788 -9.867 9.568 649 HB3 LYS 82 2HB LYS 82 0.532 -9.504 8.403 650 HG2 LYS 82 1HG LYS 82 1.823 -7.495 8.583 651 HG3 LYS 82 2HG LYS 82 0.351 -7.177 9.479 652 HD2 LYS 82 1HD LYS 82 1.456 -7.555 11.609 653 HD3 LYS 82 2HD LYS 82 2.879 -8.216 10.829 654 HE2 LYS 82 1HE LYS 82 3.452 -6.040 9.866 655 HE3 LYS 82 2HE LYS 82 1.928 -5.349 10.386 656 HZ1 LYS 82 1HZ LYS 82 4.298 -5.835 11.900 657 HZ2 LYS 82 2HZ LYS 82 3.105 -4.750 12.154 658 HZ3 LYS 82 3HZ LYS 82 2.932 -6.289 12.671 659 H ILE 83 H ILE 83 -0.320 -7.870 12.348 660 HA ILE 83 HA ILE 83 -2.966 -6.969 11.565 661 HB ILE 83 HB ILE 83 -1.236 -6.378 13.968 662 HG12 ILE 83 1HG1 ILE 83 -2.199 -8.721 13.666 663 HG13 ILE 83 2HG1 ILE 83 -2.544 -7.899 15.174 664 HG21 ILE 83 1HG2 ILE 83 -3.507 -5.502 14.852 665 HG22 ILE 83 2HG2 ILE 83 -2.530 -4.459 13.791 666 HG23 ILE 83 3HG2 ILE 83 -3.931 -5.337 13.131 667 HD11 ILE 83 1HD1 ILE 83 -4.609 -8.904 14.375 668 HD12 ILE 83 2HD1 ILE 83 -4.756 -7.140 14.190 669 HD13 ILE 83 3HD1 ILE 83 -4.407 -8.156 12.772 670 H ILE 84 H ILE 84 -3.123 -5.422 10.037 671 HA ILE 84 HA ILE 84 -0.868 -3.655 9.625 672 HB ILE 84 HB ILE 84 -3.438 -4.172 8.141 673 HG12 ILE 84 1HG1 ILE 84 -0.520 -4.731 7.557 674 HG13 ILE 84 2HG1 ILE 84 -1.793 -5.901 7.844 675 HG21 ILE 84 1HG2 ILE 84 -2.774 -1.734 8.108 676 HG22 ILE 84 2HG2 ILE 84 -1.283 -2.236 7.276 677 HG23 ILE 84 3HG2 ILE 84 -2.867 -2.538 6.522 678 HD11 ILE 84 1HD1 ILE 84 -1.178 -4.332 5.387 679 HD12 ILE 84 2HD1 ILE 84 -1.911 -5.946 5.554 680 HD13 ILE 84 3HD1 ILE 84 -2.908 -4.488 5.775 681 HA PRO 85 HA PRO 85 -2.778 -0.670 12.175 682 HB2 PRO 85 1HB PRO 85 -0.730 1.138 12.170 683 HB3 PRO 85 2HB PRO 85 -0.810 -0.216 13.280 684 HG2 PRO 85 1HG PRO 85 0.895 0.122 10.889 685 HG3 PRO 85 2HG PRO 85 1.088 -0.994 12.226 686 HD2 PRO 85 1HD PRO 85 0.105 -1.611 9.603 687 HD3 PRO 85 2HD PRO 85 0.189 -2.700 10.974 688 H VAL 86 H VAL 86 -4.229 -0.670 10.133 689 HA VAL 86 HA VAL 86 -3.762 1.336 8.250 690 HB VAL 86 HB VAL 86 -6.381 0.164 9.207 691 HG11 VAL 86 1HG1 VAL 86 -7.058 1.898 7.850 692 HG12 VAL 86 2HG1 VAL 86 -5.589 1.836 6.846 693 HG13 VAL 86 3HG1 VAL 86 -6.857 0.604 6.645 694 HG21 VAL 86 1HG2 VAL 86 -6.048 -1.395 7.237 695 HG22 VAL 86 2HG2 VAL 86 -4.361 -0.829 7.177 696 HG23 VAL 86 3HG2 VAL 86 -4.968 -1.666 8.626 697 H ASP 87 H ASP 87 -6.221 1.364 10.932 698 HA ASP 87 HA ASP 87 -7.057 3.824 10.851 699 HB2 ASP 87 1HB ASP 87 -7.336 1.988 12.696 700 HB3 ASP 87 2HB ASP 87 -5.984 2.766 13.494 701 H LYS 88 H LYS 88 -3.795 2.771 11.923 702 HA LYS 88 HA LYS 88 -3.052 5.445 12.714 703 HB2 LYS 88 1HB LYS 88 -1.277 3.004 12.501 704 HB3 LYS 88 2HB LYS 88 -0.995 4.461 13.432 705 HG2 LYS 88 1HG LYS 88 -2.841 3.954 14.942 706 HG3 LYS 88 2HG LYS 88 -3.398 2.645 13.918 707 HD2 LYS 88 1HD LYS 88 -2.209 1.497 15.599 708 HD3 LYS 88 2HD LYS 88 -1.028 1.597 14.309 709 HE2 LYS 88 1HE LYS 88 0.366 2.550 15.836 710 HE3 LYS 88 2HE LYS 88 -0.614 3.995 15.680 711 HZ1 LYS 88 1HZ LYS 88 -1.025 1.837 17.630 712 HZ2 LYS 88 2HZ LYS 88 -0.481 3.343 17.949 713 HZ3 LYS 88 3HZ LYS 88 -2.021 3.119 17.453 714 H LEU 89 H LEU 89 -1.846 3.019 10.285 715 HA LEU 89 HA LEU 89 -0.138 4.601 8.923 716 HB2 LEU 89 1HB LEU 89 -2.024 2.462 7.950 717 HB3 LEU 89 2HB LEU 89 -0.836 3.214 6.903 718 HG LEU 89 HG LEU 89 -0.143 1.778 9.479 719 HD11 LEU 89 1HD1 LEU 89 0.199 0.669 6.689 720 HD12 LEU 89 2HD1 LEU 89 0.383 -0.166 8.251 721 HD13 LEU 89 3HD1 LEU 89 -1.232 0.334 7.694 722 HD21 LEU 89 1HD2 LEU 89 1.553 2.815 7.195 723 HD22 LEU 89 2HD2 LEU 89 1.551 3.367 8.887 724 HD23 LEU 89 3HD2 LEU 89 2.144 1.738 8.483 725 H VAL 90 H VAL 90 -3.718 4.376 8.394 726 HA VAL 90 HA VAL 90 -3.813 6.226 6.322 727 HB VAL 90 HB VAL 90 -6.184 6.365 6.852 728 HG11 VAL 90 1HG1 VAL 90 -6.113 4.454 5.672 729 HG12 VAL 90 2HG1 VAL 90 -4.712 3.836 6.579 730 HG13 VAL 90 3HG1 VAL 90 -6.354 3.639 7.236 731 HG21 VAL 90 1HG2 VAL 90 -6.657 6.447 9.061 732 HG22 VAL 90 2HG2 VAL 90 -6.745 4.675 8.913 733 HG23 VAL 90 3HG2 VAL 90 -5.255 5.446 9.509 734 H LYS 91 H LYS 91 -3.735 6.603 9.883 735 HA LYS 91 HA LYS 91 -4.372 9.360 9.836 736 HB2 LYS 91 1HB LYS 91 -3.241 7.465 11.889 737 HB3 LYS 91 2HB LYS 91 -3.326 9.186 12.207 738 HG2 LYS 91 1HG LYS 91 -5.808 7.907 11.100 739 HG3 LYS 91 2HG LYS 91 -5.376 7.479 12.744 740 HD2 LYS 91 1HD LYS 91 -6.152 9.468 13.505 741 HD3 LYS 91 2HD LYS 91 -5.044 10.334 12.460 742 HE2 LYS 91 1HE LYS 91 -6.626 10.550 10.722 743 HE3 LYS 91 2HE LYS 91 -7.546 9.152 11.240 744 HZ1 LYS 91 1HZ LYS 91 -8.569 10.346 12.867 745 HZ2 LYS 91 2HZ LYS 91 -7.371 11.446 13.018 746 HZ3 LYS 91 3HZ LYS 91 -8.387 11.515 11.741 747 H GLY 92 H GLY 92 -1.522 7.486 9.097 748 HA2 GLY 92 1HA GLY 92 0.516 8.109 8.382 749 HA3 GLY 92 2HA GLY 92 -0.100 9.737 8.181 750 H LYS 93 H LYS 93 1.209 7.413 10.610 751 HA LYS 93 HA LYS 93 1.825 9.672 12.355 752 HB2 LYS 93 1HB LYS 93 1.652 6.688 12.776 753 HB3 LYS 93 2HB LYS 93 2.464 7.725 13.931 754 HG2 LYS 93 1HG LYS 93 -0.207 8.719 13.061 755 HG3 LYS 93 2HG LYS 93 -0.252 7.195 13.925 756 HD2 LYS 93 1HD LYS 93 0.498 8.128 15.914 757 HD3 LYS 93 2HD LYS 93 1.510 9.310 15.108 758 HE2 LYS 93 1HE LYS 93 -1.333 9.771 14.517 759 HE3 LYS 93 2HE LYS 93 -1.039 9.765 16.244 760 HZ1 LYS 93 1HZ LYS 93 0.987 11.224 15.432 761 HZ2 LYS 93 2HZ LYS 93 -0.070 11.592 14.243 762 HZ3 LYS 93 3HZ LYS 93 -0.467 11.869 15.803 763 H PHE 94 H PHE 94 3.153 8.092 9.738 764 HA PHE 94 HA PHE 94 5.184 8.084 8.874 765 HB2 PHE 94 1HB PHE 94 5.170 10.364 10.263 766 HB3 PHE 94 2HB PHE 94 6.188 9.499 11.397 767 HD1 PHE 94 1HD PHE 94 8.260 8.263 10.248 768 HD2 PHE 94 2HD PHE 94 6.207 11.599 8.618 769 HE1 PHE 94 1HE PHE 94 10.279 8.830 8.868 770 HE2 PHE 94 2HE PHE 94 8.226 12.167 7.238 771 HZ PHE 94 HZ PHE 94 10.237 10.776 7.380 772 H GLN 95 H GLN 95 5.712 7.908 12.475 773 HA GLN 95 HA GLN 95 7.767 6.068 12.255 774 HB2 GLN 95 1HB GLN 95 7.387 7.462 14.256 775 HB3 GLN 95 2HB GLN 95 5.875 6.636 14.579 776 HG2 GLN 95 1HG GLN 95 6.915 4.755 15.421 777 HG3 GLN 95 2HG GLN 95 8.235 4.836 14.271 778 HE21 GLN 95 1HE2 GLN 95 6.885 6.267 17.198 779 HE22 GLN 95 2HE2 GLN 95 8.368 6.845 17.882 780 H ASP 96 H ASP 96 4.232 5.642 12.934 781 HA ASP 96 HA ASP 96 4.386 2.892 13.254 782 HB2 ASP 96 1HB ASP 96 2.395 4.914 13.296 783 HB3 ASP 96 2HB ASP 96 1.863 3.794 12.056 784 H ASN 97 H ASN 97 4.824 4.907 10.509 785 HA ASN 97 HA ASN 97 3.760 2.978 8.653 786 HB2 ASN 97 1HB ASN 97 4.408 5.827 8.619 787 HB3 ASN 97 2HB ASN 97 5.234 5.033 7.292 788 HD21 ASN 97 1HD2 ASN 97 2.225 6.015 8.645 789 HD22 ASN 97 2HD2 ASN 97 1.182 5.574 7.334 790 H PHE 98 H PHE 98 6.831 4.351 9.912 791 HA PHE 98 HA PHE 98 8.467 3.028 7.986 792 HB2 PHE 98 1HB PHE 98 8.881 5.201 9.378 793 HB3 PHE 98 2HB PHE 98 9.137 4.160 10.764 794 HD1 PHE 98 1HD PHE 98 10.852 2.104 10.111 795 HD2 PHE 98 2HD PHE 98 10.805 5.990 8.408 796 HE1 PHE 98 1HE PHE 98 13.268 1.856 9.479 797 HE2 PHE 98 2HE PHE 98 13.222 5.743 7.777 798 HZ PHE 98 HZ PHE 98 14.424 3.678 8.320 799 H GLU 99 H GLU 99 7.496 2.477 11.422 800 HA GLU 99 HA GLU 99 9.187 0.243 11.693 801 HB2 GLU 99 1HB GLU 99 6.753 1.078 13.332 802 HB3 GLU 99 2HB GLU 99 7.934 -0.121 13.820 803 HG2 GLU 99 1HG GLU 99 8.763 2.718 13.100 804 HG3 GLU 99 2HG GLU 99 8.229 2.306 14.717 805 H PHE 100 H PHE 100 6.240 0.770 10.026 806 HA PHE 100 HA PHE 100 5.326 -1.964 10.375 807 HB2 PHE 100 1HB PHE 100 3.607 -0.243 10.356 808 HB3 PHE 100 2HB PHE 100 4.375 0.616 9.035 809 HD1 PHE 100 2HD PHE 100 4.073 -0.117 6.731 810 HD2 PHE 100 1HD PHE 100 2.196 -2.175 9.932 811 HE1 PHE 100 2HE PHE 100 2.558 -1.274 5.098 812 HE2 PHE 100 1HE PHE 100 0.680 -3.332 8.300 813 HZ PHE 100 HZ PHE 100 0.879 -2.867 5.902 814 H VAL 101 H VAL 101 6.504 0.278 7.784 815 HA VAL 101 HA VAL 101 6.327 -1.612 5.722 816 HB VAL 101 HB VAL 101 6.434 0.804 5.396 817 HG11 VAL 101 1HG1 VAL 101 9.388 0.727 6.028 818 HG12 VAL 101 2HG1 VAL 101 8.320 2.137 5.827 819 HG13 VAL 101 3HG1 VAL 101 8.174 1.109 7.273 820 HG21 VAL 101 1HG2 VAL 101 6.969 -0.267 3.420 821 HG22 VAL 101 2HG2 VAL 101 8.416 0.740 3.665 822 HG23 VAL 101 3HG2 VAL 101 8.454 -0.989 4.084 823 H GLN 102 H GLN 102 9.128 -0.516 7.760 824 HA GLN 102 HA GLN 102 11.064 -2.014 6.697 825 HB2 GLN 102 1HB GLN 102 12.196 -1.888 8.838 826 HB3 GLN 102 2HB GLN 102 11.274 -0.413 8.626 827 HG2 GLN 102 1HG GLN 102 9.667 -1.011 10.236 828 HG3 GLN 102 2HG GLN 102 9.942 -2.730 10.032 829 HE21 GLN 102 1HE2 GLN 102 9.811 -1.561 12.508 830 HE22 GLN 102 2HE2 GLN 102 11.353 -1.614 13.295 831 H TRP 103 H TRP 103 8.247 -3.146 8.487 832 HA TRP 103 HA TRP 103 9.379 -5.748 8.996 833 HB2 TRP 103 1HB TRP 103 7.889 -4.888 10.633 834 HB3 TRP 103 2HB TRP 103 6.663 -4.516 9.437 835 HD1 TRP 103 HD TRP 103 7.918 -7.392 11.588 836 HE1 TRP 103 1HE TRP 103 6.388 -9.530 11.370 837 HE3 TRP 103 3HE TRP 103 5.197 -5.688 7.645 838 HZ2 TRP 103 2HZ TRP 103 4.259 -10.253 9.612 839 HZ3 TRP 103 3HZ TRP 103 3.412 -7.173 6.738 840 HH2 TRP 103 HH TRP 103 2.925 -9.384 7.657 841 H PHE 104 H PHE 104 6.823 -4.244 6.896 842 HA PHE 104 HA PHE 104 6.004 -6.479 5.569 843 HB2 PHE 104 1HB PHE 104 6.070 -3.552 5.275 844 HB3 PHE 104 2HB PHE 104 6.264 -4.294 3.699 845 HD1 PHE 104 1HD PHE 104 4.066 -4.356 6.701 846 HD2 PHE 104 2HD PHE 104 4.395 -5.039 2.526 847 HE1 PHE 104 1HE PHE 104 1.585 -4.714 6.564 848 HE2 PHE 104 2HE PHE 104 1.914 -5.398 2.389 849 HZ PHE 104 HZ PHE 104 0.539 -5.231 4.410 850 H LYS 105 H LYS 105 8.874 -4.392 4.893 851 HA LYS 105 HA LYS 105 9.576 -5.666 2.500 852 HB2 LYS 105 1HB LYS 105 10.360 -3.431 3.185 853 HB3 LYS 105 2HB LYS 105 11.300 -4.146 4.479 854 HG2 LYS 105 1HG LYS 105 12.760 -5.285 2.941 855 HG3 LYS 105 2HG LYS 105 11.675 -5.026 1.590 856 HD2 LYS 105 1HD LYS 105 12.677 -3.051 1.111 857 HD3 LYS 105 2HD LYS 105 12.323 -2.445 2.716 858 HE2 LYS 105 1HE LYS 105 14.777 -4.028 1.839 859 HE3 LYS 105 2HE LYS 105 14.733 -2.380 2.434 860 HZ1 LYS 105 1HZ LYS 105 15.320 -3.557 4.275 861 HZ2 LYS 105 2HZ LYS 105 13.703 -3.491 4.494 862 HZ3 LYS 105 3HZ LYS 105 14.394 -4.855 3.922 863 H LYS 106 H LYS 106 10.883 -6.065 5.869 864 HA LYS 106 HA LYS 106 12.638 -8.077 5.383 865 HB2 LYS 106 1HB LYS 106 10.863 -7.547 7.776 866 HB3 LYS 106 2HB LYS 106 12.103 -8.784 7.774 867 HG2 LYS 106 1HG LYS 106 12.685 -5.880 7.044 868 HG3 LYS 106 2HG LYS 106 12.799 -6.479 8.687 869 HD2 LYS 106 1HD LYS 106 14.975 -6.920 8.098 870 HD3 LYS 106 2HD LYS 106 14.287 -8.388 7.431 871 HE2 LYS 106 1HE LYS 106 14.769 -7.755 5.298 872 HE3 LYS 106 2HE LYS 106 14.033 -6.180 5.522 873 HZ1 LYS 106 1HZ LYS 106 16.003 -5.276 5.902 874 HZ2 LYS 106 2HZ LYS 106 16.503 -6.464 6.904 875 HZ3 LYS 106 3HZ LYS 106 16.661 -6.639 5.288 876 H PHE 107 H PHE 107 9.148 -8.514 6.311 877 HA PHE 107 HA PHE 107 9.075 -11.237 6.081 878 HB2 PHE 107 1HB PHE 107 7.336 -9.289 6.735 879 HB3 PHE 107 2HB PHE 107 6.858 -9.403 5.053 880 HD1 PHE 107 1HD PHE 107 7.027 -11.245 8.240 881 HD2 PHE 107 2HD PHE 107 5.542 -11.231 4.265 882 HE1 PHE 107 1HE PHE 107 5.510 -13.164 8.800 883 HE2 PHE 107 2HE PHE 107 4.025 -13.150 4.825 884 HZ PHE 107 HZ PHE 107 4.027 -14.094 7.086 885 H PHE 108 H PHE 108 8.227 -8.799 3.514 886 HA PHE 108 HA PHE 108 7.550 -10.437 1.501 887 HB2 PHE 108 1HB PHE 108 8.974 -7.816 1.860 888 HB3 PHE 108 2HB PHE 108 9.206 -8.535 0.278 889 HD1 PHE 108 2HD PHE 108 6.238 -8.373 2.546 890 HD2 PHE 108 1HD PHE 108 7.884 -7.430 -1.251 891 HE1 PHE 108 2HE PHE 108 4.017 -7.467 1.808 892 HE2 PHE 108 1HE PHE 108 5.662 -6.524 -1.988 893 HZ PHE 108 HZ PHE 108 3.755 -6.553 -0.450 894 H ASP 109 H ASP 109 10.959 -9.380 2.215 895 HA ASP 109 HA ASP 109 12.121 -10.862 0.232 896 HB2 ASP 109 1HB ASP 109 13.098 -9.084 1.902 897 HB3 ASP 109 2HB ASP 109 13.404 -10.450 2.957 898 H SER 110 H SER 110 11.708 -11.611 3.779 899 HA SER 110 HA SER 110 12.846 -14.053 3.834 900 HB2 SER 110 1HB SER 110 11.517 -12.528 5.634 901 HB3 SER 110 2HB SER 110 10.272 -13.727 5.345 902 HG SER 110 HG SER 110 11.730 -14.300 7.110 903 H GLY 111 H GLY 111 12.463 -15.946 2.746 904 HA2 GLY 111 1HA GLY 111 9.763 -16.872 2.323 905 HA3 GLY 111 2HA GLY 111 10.581 -16.383 0.852 906 HA PRO 112 HA PRO 112 12.795 -20.113 0.843 907 HB2 PRO 112 1HB PRO 112 15.217 -19.458 -0.241 908 HB3 PRO 112 2HB PRO 112 13.766 -19.672 -1.199 909 HG2 PRO 112 1HG PRO 112 15.128 -17.163 -0.434 910 HG3 PRO 112 2HG PRO 112 13.957 -17.431 -1.710 911 HD2 PRO 112 1HD PRO 112 13.472 -16.194 0.832 912 HD3 PRO 112 2HD PRO 112 12.280 -16.568 -0.397 913 H SER 113 H SER 113 12.614 -19.410 3.373 914 HA SER 113 HA SER 113 15.094 -20.437 4.334 915 HB2 SER 113 1HB SER 113 15.606 -18.613 5.864 916 HB3 SER 113 2HB SER 113 15.530 -17.973 4.234 917 HG SER 113 HG SER 113 13.067 -17.677 5.016 918 H SER 114 H SER 114 14.896 -21.202 6.589 919 HA SER 114 HA SER 114 12.100 -21.289 7.420 920 HB2 SER 114 1HB SER 114 14.257 -23.426 7.480 921 HB3 SER 114 2HB SER 114 12.860 -23.527 8.533 922 HG SER 114 HG SER 114 12.313 -24.660 6.672 923 H GLY 115 H GLY 115 11.754 -21.430 9.806 924 HA2 GLY 115 1HA GLY 115 13.721 -19.807 11.213 925 HA3 GLY 115 2HA GLY 115 12.096 -20.210 11.730 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 21.626 27.090 3.458 2 HA2 GLY 1 1HA GLY 1 22.940 25.707 4.683 3 HA3 GLY 1 2HA GLY 1 22.043 26.126 6.129 4 H SER 2 H SER 2 21.151 24.341 7.058 5 HA SER 2 HA SER 2 19.227 22.859 5.782 6 HB2 SER 2 1HB SER 2 21.977 21.874 5.350 7 HB3 SER 2 2HB SER 2 20.933 20.662 6.067 8 HG SER 2 HG SER 2 20.740 21.949 3.524 9 H SER 3 H SER 3 18.082 21.647 7.346 10 HA SER 3 HA SER 3 18.918 22.099 10.013 11 HB2 SER 3 1HB SER 3 16.498 22.004 8.976 12 HB3 SER 3 2HB SER 3 16.636 20.273 9.212 13 HG SER 3 HG SER 3 17.411 21.160 11.528 14 H GLY 4 H GLY 4 20.552 20.862 10.882 15 HA2 GLY 4 1HA GLY 4 21.239 18.291 9.920 16 HA3 GLY 4 2HA GLY 4 21.833 19.076 11.370 17 H SER 5 H SER 5 20.325 16.337 10.355 18 HA SER 5 HA SER 5 19.179 15.953 12.966 19 HB2 SER 5 1HB SER 5 17.037 15.163 12.169 20 HB3 SER 5 2HB SER 5 17.300 16.755 11.486 21 HG SER 5 HG SER 5 17.631 15.905 9.472 22 H SER 6 H SER 6 18.816 13.590 13.424 23 HA SER 6 HA SER 6 20.715 12.052 11.865 24 HB2 SER 6 1HB SER 6 19.542 11.715 14.651 25 HB3 SER 6 2HB SER 6 20.447 10.430 13.874 26 HG SER 6 HG SER 6 21.377 12.696 15.129 27 H GLY 7 H GLY 7 20.151 9.686 11.451 28 HA2 GLY 7 1HA GLY 7 17.968 8.281 11.666 29 HA3 GLY 7 2HA GLY 7 17.351 9.519 10.590 30 H GLN 8 H GLN 8 18.254 9.756 8.426 31 HA GLN 8 HA GLN 8 19.241 9.111 6.588 32 HB2 GLN 8 1HB GLN 8 21.050 8.118 8.535 33 HB3 GLN 8 2HB GLN 8 20.799 6.788 7.423 34 HG2 GLN 8 1HG GLN 8 21.595 8.018 5.556 35 HG3 GLN 8 2HG GLN 8 21.306 9.567 6.325 36 HE21 GLN 8 1HE2 GLN 8 23.707 8.695 5.082 37 HE22 GLN 8 2HE2 GLN 8 24.973 8.673 6.263 38 H ARG 9 H ARG 9 18.645 6.185 8.671 39 HA ARG 9 HA ARG 9 17.964 4.512 6.629 40 HB2 ARG 9 1HB ARG 9 17.942 4.473 9.482 41 HB3 ARG 9 2HB ARG 9 16.326 3.996 9.001 42 HG2 ARG 9 1HG ARG 9 18.801 2.752 7.735 43 HG3 ARG 9 2HG ARG 9 18.111 2.121 9.217 44 HD2 ARG 9 1HD ARG 9 15.921 1.778 8.068 45 HD3 ARG 9 2HD ARG 9 16.583 2.442 6.588 46 HE ARG 9 HE ARG 9 17.785 0.444 6.228 47 HH11 ARG 9 2HH2 ARG 9 16.422 0.468 9.472 48 HH12 ARG 9 1HH2 ARG 9 16.778 -1.200 9.772 49 HH21 ARG 9 2HH1 ARG 9 18.256 -1.757 6.624 50 HH22 ARG 9 1HH1 ARG 9 17.828 -2.474 8.141 51 H ARG 10 H ARG 10 16.589 5.521 5.060 52 HA ARG 10 HA ARG 10 13.844 5.434 5.766 53 HB2 ARG 10 1HB ARG 10 15.273 8.051 5.382 54 HB3 ARG 10 2HB ARG 10 13.710 7.904 4.604 55 HG2 ARG 10 1HG ARG 10 13.084 6.883 7.063 56 HG3 ARG 10 2HG ARG 10 14.382 7.965 7.524 57 HD2 ARG 10 1HD ARG 10 11.922 8.772 5.896 58 HD3 ARG 10 2HD ARG 10 12.149 9.092 7.604 59 HE ARG 10 HE ARG 10 13.375 10.538 5.392 60 HH11 ARG 10 2HH2 ARG 10 13.801 9.620 8.762 61 HH12 ARG 10 1HH2 ARG 10 14.845 10.952 9.126 62 HH21 ARG 10 2HH1 ARG 10 14.753 12.296 5.871 63 HH22 ARG 10 1HH1 ARG 10 15.391 12.485 7.470 64 H HIS 11 H HIS 11 16.106 6.929 3.324 65 HA HIS 11 HA HIS 11 14.490 6.411 1.132 66 HB2 HIS 11 1HB HIS 11 16.338 8.026 1.162 67 HB3 HIS 11 2HB HIS 11 17.501 6.721 1.296 68 HD1 HIS 11 1HD HIS 11 15.315 8.505 -1.166 69 HD2 HIS 11 2HD HIS 11 17.901 5.204 -1.095 70 HE1 HIS 11 1HE HIS 11 15.762 7.895 -3.603 71 H ASP 12 H ASP 12 16.250 4.262 3.169 72 HA ASP 12 HA ASP 12 17.076 2.373 1.344 73 HB2 ASP 12 1HB ASP 12 17.723 2.372 3.734 74 HB3 ASP 12 2HB ASP 12 16.067 2.054 4.209 75 H MET 13 H MET 13 13.932 3.018 2.972 76 HA MET 13 HA MET 13 12.781 0.630 1.869 77 HB2 MET 13 1HB MET 13 11.399 2.941 3.332 78 HB3 MET 13 2HB MET 13 10.803 1.302 3.171 79 HG2 MET 13 1HG MET 13 13.368 2.060 4.653 80 HG3 MET 13 2HG MET 13 11.824 1.778 5.433 81 HE1 MET 13 1HE MET 13 10.986 -0.897 3.128 82 HE2 MET 13 2HE MET 13 11.019 -1.874 4.616 83 HE3 MET 13 3HE MET 13 10.378 -0.213 4.655 84 H LEU 14 H LEU 14 12.502 4.218 1.501 85 HA LEU 14 HA LEU 14 10.412 4.303 -0.269 86 HB2 LEU 14 1HB LEU 14 12.810 6.098 -0.501 87 HB3 LEU 14 2HB LEU 14 11.124 6.469 -0.804 88 HG LEU 14 HG LEU 14 12.563 6.207 1.824 89 HD11 LEU 14 1HD1 LEU 14 12.548 8.413 0.955 90 HD12 LEU 14 2HD1 LEU 14 10.822 8.314 0.530 91 HD13 LEU 14 3HD1 LEU 14 11.316 8.364 2.239 92 HD21 LEU 14 1HD2 LEU 14 10.819 4.988 2.579 93 HD22 LEU 14 2HD2 LEU 14 10.030 6.581 2.666 94 HD23 LEU 14 3HD2 LEU 14 9.734 5.516 1.271 95 H ALA 15 H ALA 15 13.910 3.680 -0.890 96 HA ALA 15 HA ALA 15 13.699 3.648 -3.680 97 HB1 ALA 15 1HB ALA 15 15.864 2.381 -3.509 98 HB2 ALA 15 2HB ALA 15 15.831 3.875 -2.541 99 HB3 ALA 15 3HB ALA 15 15.623 2.296 -1.747 100 H TRP 16 H TRP 16 13.338 1.089 -1.159 101 HA TRP 16 HA TRP 16 13.217 -1.130 -2.722 102 HB2 TRP 16 1HB TRP 16 13.113 -1.042 -0.249 103 HB3 TRP 16 2HB TRP 16 11.446 -0.512 -0.351 104 HD1 TRP 16 HD TRP 16 13.385 -3.557 -1.892 105 HE1 TRP 16 1HE TRP 16 11.970 -5.769 -1.632 106 HE3 TRP 16 3HE TRP 16 9.428 -1.373 0.435 107 HZ2 TRP 16 2HZ TRP 16 9.411 -6.343 -0.507 108 HZ3 TRP 16 3HZ TRP 16 7.511 -2.830 1.082 109 HH2 TRP 16 HH TRP 16 7.461 -5.235 0.646 110 H ILE 17 H ILE 17 10.218 0.562 -1.552 111 HA ILE 17 HA ILE 17 8.519 -0.565 -3.379 112 HB ILE 17 HB ILE 17 8.457 2.067 -1.920 113 HG12 ILE 17 1HG1 ILE 17 6.433 0.350 -1.032 114 HG13 ILE 17 2HG1 ILE 17 7.816 -0.699 -1.273 115 HG21 ILE 17 1HG2 ILE 17 6.131 0.825 -3.405 116 HG22 ILE 17 2HG2 ILE 17 6.176 2.380 -2.540 117 HG23 ILE 17 3HG2 ILE 17 7.114 2.167 -4.038 118 HD11 ILE 17 1HD1 ILE 17 8.031 1.945 0.224 119 HD12 ILE 17 2HD1 ILE 17 7.639 0.410 1.034 120 HD13 ILE 17 3HD1 ILE 17 9.201 0.604 0.204 121 H ASN 18 H ASN 18 10.172 2.664 -3.619 122 HA ASN 18 HA ASN 18 9.270 3.503 -5.953 123 HB2 ASN 18 1HB ASN 18 12.088 3.538 -4.805 124 HB3 ASN 18 2HB ASN 18 11.773 4.295 -6.353 125 HD21 ASN 18 1HD2 ASN 18 12.670 5.931 -4.557 126 HD22 ASN 18 2HD2 ASN 18 11.457 6.960 -3.872 127 H GLU 19 H GLU 19 11.921 1.079 -5.422 128 HA GLU 19 HA GLU 19 12.010 0.598 -8.269 129 HB2 GLU 19 1HB GLU 19 13.846 0.245 -5.992 130 HB3 GLU 19 2HB GLU 19 13.808 -1.162 -7.036 131 HG2 GLU 19 1HG GLU 19 13.854 1.093 -8.783 132 HG3 GLU 19 2HG GLU 19 15.017 1.448 -7.521 133 H SER 20 H SER 20 9.567 -0.152 -7.623 134 HA SER 20 HA SER 20 9.731 -3.006 -7.765 135 HB2 SER 20 1HB SER 20 8.053 -1.685 -5.585 136 HB3 SER 20 2HB SER 20 8.110 -3.401 -5.937 137 HG SER 20 HG SER 20 10.441 -3.320 -5.422 138 H LEU 21 H LEU 21 7.707 -0.021 -7.535 139 HA LEU 21 HA LEU 21 6.072 -1.119 -9.706 140 HB2 LEU 21 1HB LEU 21 4.847 0.576 -7.564 141 HB3 LEU 21 2HB LEU 21 4.075 -0.498 -8.714 142 HG LEU 21 HG LEU 21 5.905 -1.721 -6.692 143 HD11 LEU 21 1HD1 LEU 21 3.821 -1.868 -5.164 144 HD12 LEU 21 2HD1 LEU 21 4.799 -0.380 -5.152 145 HD13 LEU 21 3HD1 LEU 21 3.264 -0.429 -6.053 146 HD21 LEU 21 1HD2 LEU 21 5.078 -3.423 -7.926 147 HD22 LEU 21 2HD2 LEU 21 3.716 -3.286 -6.789 148 HD23 LEU 21 3HD2 LEU 21 3.615 -2.525 -8.395 149 H GLN 22 H GLN 22 8.423 0.967 -9.016 150 HA GLN 22 HA GLN 22 9.147 2.797 -9.934 151 HB2 GLN 22 1HB GLN 22 6.915 2.104 -11.808 152 HB3 GLN 22 2HB GLN 22 7.538 3.739 -11.915 153 HG2 GLN 22 1HG GLN 22 9.739 3.003 -12.465 154 HG3 GLN 22 2HG GLN 22 9.454 1.385 -11.854 155 HE21 GLN 22 1HE2 GLN 22 10.179 0.526 -13.813 156 HE22 GLN 22 2HE2 GLN 22 9.193 0.489 -15.237 157 H LEU 23 H LEU 23 8.440 3.556 -7.669 158 HA LEU 23 HA LEU 23 6.234 5.473 -7.866 159 HB2 LEU 23 1HB LEU 23 7.613 4.395 -5.405 160 HB3 LEU 23 2HB LEU 23 6.196 5.425 -5.449 161 HG LEU 23 HG LEU 23 5.446 3.230 -4.969 162 HD11 LEU 23 1HD1 LEU 23 4.919 3.681 -7.918 163 HD12 LEU 23 2HD1 LEU 23 3.917 2.753 -6.777 164 HD13 LEU 23 3HD1 LEU 23 4.082 4.515 -6.587 165 HD21 LEU 23 1HD2 LEU 23 6.363 1.860 -7.400 166 HD22 LEU 23 2HD2 LEU 23 7.674 2.343 -6.296 167 HD23 LEU 23 3HD2 LEU 23 6.345 1.318 -5.705 168 H ASN 24 H ASN 24 7.204 7.033 -5.569 169 HA ASN 24 HA ASN 24 9.779 7.936 -6.030 170 HB2 ASN 24 1HB ASN 24 8.679 8.781 -8.176 171 HB3 ASN 24 2HB ASN 24 7.609 9.760 -7.192 172 HD21 ASN 24 1HD2 ASN 24 10.619 9.511 -8.705 173 HD22 ASN 24 2HD2 ASN 24 11.377 10.946 -8.101 174 H LEU 25 H LEU 25 8.974 7.434 -3.645 175 HA LEU 25 HA LEU 25 7.491 9.682 -2.527 176 HB2 LEU 25 1HB LEU 25 8.375 7.161 -1.133 177 HB3 LEU 25 2HB LEU 25 7.180 8.326 -0.598 178 HG LEU 25 HG LEU 25 6.907 6.503 -3.005 179 HD11 LEU 25 1HD1 LEU 25 5.865 6.326 -0.182 180 HD12 LEU 25 2HD1 LEU 25 5.045 5.516 -1.538 181 HD13 LEU 25 3HD1 LEU 25 6.730 5.102 -1.142 182 HD21 LEU 25 1HD2 LEU 25 5.612 8.938 -2.477 183 HD22 LEU 25 2HD2 LEU 25 5.167 7.704 -3.680 184 HD23 LEU 25 3HD2 LEU 25 4.441 7.666 -2.055 185 H THR 26 H THR 26 8.334 10.943 -0.770 186 HA THR 26 HA THR 26 11.276 10.835 -0.622 187 HB THR 26 HB THR 26 11.016 13.353 -0.222 188 HG1 THR 26 1HG THR 26 8.724 13.154 0.391 189 HG21 THR 26 1HG2 THR 26 11.252 13.671 -2.475 190 HG22 THR 26 2HG2 THR 26 10.880 11.944 -2.689 191 HG23 THR 26 3HG2 THR 26 9.574 13.151 -2.766 192 H LYS 27 H LYS 27 8.288 10.498 1.062 193 HA LYS 27 HA LYS 27 9.806 10.469 3.561 194 HB2 LYS 27 1HB LYS 27 7.186 11.908 3.080 195 HB3 LYS 27 2HB LYS 27 7.767 11.484 4.678 196 HG2 LYS 27 1HG LYS 27 9.947 12.722 3.241 197 HG3 LYS 27 2HG LYS 27 8.529 13.732 3.040 198 HD2 LYS 27 1HD LYS 27 8.252 13.305 5.673 199 HD3 LYS 27 2HD LYS 27 9.969 12.966 5.584 200 HE2 LYS 27 1HE LYS 27 10.517 15.165 5.224 201 HE3 LYS 27 2HE LYS 27 9.191 15.417 4.106 202 HZ1 LYS 27 1HZ LYS 27 9.225 15.705 6.983 203 HZ2 LYS 27 2HZ LYS 27 8.483 16.623 5.854 204 HZ3 LYS 27 3HZ LYS 27 7.828 15.197 6.306 205 H ILE 28 H ILE 28 9.157 8.855 5.036 206 HA ILE 28 HA ILE 28 7.992 6.593 3.849 207 HB ILE 28 HB ILE 28 9.010 7.372 6.526 208 HG12 ILE 28 1HG1 ILE 28 10.402 6.406 4.657 209 HG13 ILE 28 2HG1 ILE 28 10.510 5.576 6.197 210 HG21 ILE 28 1HG2 ILE 28 7.021 5.165 6.058 211 HG22 ILE 28 2HG2 ILE 28 8.282 5.011 7.304 212 HG23 ILE 28 3HG2 ILE 28 7.111 6.349 7.384 213 HD11 ILE 28 1HD1 ILE 28 9.161 4.688 3.649 214 HD12 ILE 28 2HD1 ILE 28 10.213 3.767 4.750 215 HD13 ILE 28 3HD1 ILE 28 8.525 4.100 5.204 216 H GLU 29 H GLU 29 6.641 9.463 5.221 217 HA GLU 29 HA GLU 29 4.249 8.205 6.112 218 HB2 GLU 29 1HB GLU 29 5.508 10.756 6.406 219 HB3 GLU 29 2HB GLU 29 3.946 11.055 5.670 220 HG2 GLU 29 1HG GLU 29 3.006 9.424 7.502 221 HG3 GLU 29 2HG GLU 29 4.541 9.672 8.310 222 H GLN 30 H GLN 30 5.494 8.555 3.090 223 HA GLN 30 HA GLN 30 3.205 9.652 1.799 224 HB2 GLN 30 1HB GLN 30 5.813 8.426 0.867 225 HB3 GLN 30 2HB GLN 30 4.526 8.728 -0.283 226 HG2 GLN 30 1HG GLN 30 5.139 10.997 1.565 227 HG3 GLN 30 2HG GLN 30 6.414 10.591 0.434 228 HE21 GLN 30 1HE2 GLN 30 6.200 12.434 -0.760 229 HE22 GLN 30 2HE2 GLN 30 4.863 12.763 -1.811 230 H LEU 31 H LEU 31 3.782 6.741 3.333 231 HA LEU 31 HA LEU 31 2.258 5.190 1.374 232 HB2 LEU 31 1HB LEU 31 3.461 3.994 3.826 233 HB3 LEU 31 2HB LEU 31 3.179 3.283 2.249 234 HG LEU 31 HG LEU 31 5.120 5.465 2.133 235 HD11 LEU 31 1HD1 LEU 31 6.717 4.850 3.602 236 HD12 LEU 31 2HD1 LEU 31 5.329 4.197 4.506 237 HD13 LEU 31 3HD1 LEU 31 6.316 3.120 3.489 238 HD21 LEU 31 1HD2 LEU 31 5.812 2.645 1.472 239 HD22 LEU 31 2HD2 LEU 31 4.497 3.411 0.548 240 HD23 LEU 31 3HD2 LEU 31 6.116 4.150 0.571 241 H CYS 32 H CYS 32 1.044 7.364 2.922 242 HA CYS 32 HA CYS 32 -0.472 5.937 4.940 243 HB2 CYS 32 1HB CYS 32 -1.228 8.048 5.703 244 HB3 CYS 32 2HB CYS 32 0.475 8.252 5.344 245 HG CYS 32 HG CYS 32 0.266 10.019 3.789 246 H SER 33 H SER 33 -0.688 5.180 2.094 247 HA SER 33 HA SER 33 -3.420 6.082 1.610 248 HB2 SER 33 1HB SER 33 -2.818 5.278 -0.830 249 HB3 SER 33 2HB SER 33 -2.291 6.856 -0.278 250 HG SER 33 HG SER 33 -0.629 5.448 -1.352 251 H GLY 34 H GLY 34 -1.177 3.348 0.716 252 HA2 GLY 34 1HA GLY 34 -1.532 1.145 1.530 253 HA3 GLY 34 2HA GLY 34 -3.252 1.464 1.633 254 H ALA 35 H ALA 35 -0.940 2.213 -1.055 255 HA ALA 35 HA ALA 35 -2.545 0.414 -2.742 256 HB1 ALA 35 1HB ALA 35 -1.116 2.653 -4.049 257 HB2 ALA 35 2HB ALA 35 -2.772 2.052 -4.298 258 HB3 ALA 35 3HB ALA 35 -2.420 3.152 -2.945 259 H ALA 36 H ALA 36 0.672 2.055 -2.341 260 HA ALA 36 HA ALA 36 2.171 0.734 -4.120 261 HB1 ALA 36 1HB ALA 36 2.692 1.627 -1.281 262 HB2 ALA 36 2HB ALA 36 3.976 0.834 -2.226 263 HB3 ALA 36 3HB ALA 36 3.248 2.350 -2.809 264 H TYR 37 H TYR 37 1.525 -0.483 -0.750 265 HA TYR 37 HA TYR 37 2.777 -2.892 -0.949 266 HB2 TYR 37 1HB TYR 37 0.003 -2.325 0.261 267 HB3 TYR 37 2HB TYR 37 1.158 -3.503 0.853 268 HD1 TYR 37 2HD TYR 37 3.475 -2.542 1.656 269 HD2 TYR 37 1HD TYR 37 -0.083 -0.204 1.237 270 HE1 TYR 37 2HE TYR 37 4.422 -0.802 3.249 271 HE2 TYR 37 1HE TYR 37 0.876 1.529 2.831 272 HH TYR 37 HH TYR 37 4.189 1.272 3.990 273 H CYS 38 H CYS 38 -0.768 -2.337 -1.574 274 HA CYS 38 HA CYS 38 -1.482 -4.784 -2.360 275 HB2 CYS 38 1HB CYS 38 -2.362 -2.050 -3.135 276 HB3 CYS 38 2HB CYS 38 -2.891 -3.354 -4.179 277 HG CYS 38 HG CYS 38 -3.692 -2.501 -1.201 278 H GLN 39 H GLN 39 -0.407 -2.212 -4.714 279 HA GLN 39 HA GLN 39 -0.199 -3.718 -6.905 280 HB2 GLN 39 1HB GLN 39 0.686 -1.171 -6.083 281 HB3 GLN 39 2HB GLN 39 2.134 -1.952 -6.684 282 HG2 GLN 39 1HG GLN 39 0.377 -2.684 -8.650 283 HG3 GLN 39 2HG GLN 39 -0.354 -1.170 -8.157 284 HE21 GLN 39 1HE2 GLN 39 1.802 -2.556 -10.194 285 HE22 GLN 39 2HE2 GLN 39 2.826 -1.213 -10.577 286 H PHE 40 H PHE 40 2.248 -3.437 -4.263 287 HA PHE 40 HA PHE 40 4.251 -4.914 -5.476 288 HB2 PHE 40 1HB PHE 40 3.690 -3.616 -3.041 289 HB3 PHE 40 2HB PHE 40 3.784 -5.292 -2.540 290 HD1 PHE 40 1HD PHE 40 5.898 -6.075 -4.668 291 HD2 PHE 40 2HD PHE 40 5.644 -2.893 -1.873 292 HE1 PHE 40 1HE PHE 40 8.403 -5.920 -4.617 293 HE2 PHE 40 2HE PHE 40 8.149 -2.738 -1.821 294 HZ PHE 40 HZ PHE 40 9.498 -4.253 -3.194 295 H MET 41 H MET 41 1.492 -5.960 -3.377 296 HA MET 41 HA MET 41 2.249 -8.595 -3.168 297 HB2 MET 41 1HB MET 41 -0.261 -6.972 -2.899 298 HB3 MET 41 2HB MET 41 -0.527 -8.686 -3.150 299 HG2 MET 41 1HG MET 41 1.242 -7.481 -0.965 300 HG3 MET 41 2HG MET 41 -0.373 -8.116 -0.721 301 HE1 MET 41 1HE MET 41 -1.015 -10.111 -0.301 302 HE2 MET 41 2HE MET 41 -0.714 -11.157 -1.709 303 HE3 MET 41 3HE MET 41 -0.062 -11.603 -0.115 304 H ASP 42 H ASP 42 -0.279 -7.205 -5.397 305 HA ASP 42 HA ASP 42 -0.949 -9.323 -6.792 306 HB2 ASP 42 1HB ASP 42 -1.879 -7.211 -7.410 307 HB3 ASP 42 2HB ASP 42 -0.305 -6.507 -7.719 308 H MET 43 H MET 43 2.127 -7.464 -7.076 309 HA MET 43 HA MET 43 3.042 -8.800 -9.359 310 HB2 MET 43 1HB MET 43 3.898 -6.717 -7.546 311 HB3 MET 43 2HB MET 43 5.213 -7.871 -7.648 312 HG2 MET 43 1HG MET 43 5.170 -7.719 -10.141 313 HG3 MET 43 2HG MET 43 3.828 -6.594 -10.058 314 HE1 MET 43 1HE MET 43 7.010 -7.508 -8.506 315 HE2 MET 43 2HE MET 43 8.136 -6.218 -8.991 316 HE3 MET 43 3HE MET 43 7.250 -6.094 -7.452 317 H LEU 44 H LEU 44 3.622 -9.251 -5.814 318 HA LEU 44 HA LEU 44 5.362 -11.476 -6.277 319 HB2 LEU 44 1HB LEU 44 4.087 -10.391 -3.761 320 HB3 LEU 44 2HB LEU 44 5.278 -11.676 -3.810 321 HG LEU 44 HG LEU 44 5.808 -8.896 -4.883 322 HD11 LEU 44 1HD1 LEU 44 6.837 -9.842 -2.226 323 HD12 LEU 44 2HD1 LEU 44 6.649 -8.187 -2.852 324 HD13 LEU 44 3HD1 LEU 44 5.216 -9.118 -2.354 325 HD21 LEU 44 1HD2 LEU 44 7.847 -9.604 -5.443 326 HD22 LEU 44 2HD2 LEU 44 8.059 -10.489 -3.913 327 HD23 LEU 44 3HD2 LEU 44 7.194 -11.251 -5.268 328 H PHE 45 H PHE 45 2.165 -11.180 -4.563 329 HA PHE 45 HA PHE 45 1.691 -13.970 -5.282 330 HB2 PHE 45 1HB PHE 45 0.396 -11.966 -3.338 331 HB3 PHE 45 2HB PHE 45 -0.164 -13.616 -3.521 332 HD1 PHE 45 2HD PHE 45 2.727 -11.565 -2.459 333 HD2 PHE 45 1HD PHE 45 0.899 -15.394 -2.384 334 HE1 PHE 45 2HE PHE 45 4.375 -12.318 -0.723 335 HE2 PHE 45 1HE PHE 45 2.547 -16.147 -0.648 336 HZ PHE 45 HZ PHE 45 4.266 -14.600 0.162 337 HA PRO 46 HA PRO 46 -1.074 -12.253 -8.263 338 HB2 PRO 46 1HB PRO 46 -1.330 -14.507 -9.786 339 HB3 PRO 46 2HB PRO 46 -0.062 -13.322 -10.033 340 HG2 PRO 46 1HG PRO 46 0.121 -16.003 -8.799 341 HG3 PRO 46 2HG PRO 46 1.407 -14.996 -9.434 342 HD2 PRO 46 1HD PRO 46 0.753 -15.406 -6.672 343 HD3 PRO 46 2HD PRO 46 1.963 -14.311 -7.311 344 H GLY 47 H GLY 47 -3.232 -11.961 -8.244 345 HA2 GLY 47 1HA GLY 47 -5.379 -12.388 -7.734 346 HA3 GLY 47 2HA GLY 47 -5.012 -14.100 -7.814 347 H SER 48 H SER 48 -3.529 -11.635 -5.627 348 HA SER 48 HA SER 48 -4.631 -13.194 -3.423 349 HB2 SER 48 1HB SER 48 -2.686 -12.441 -2.099 350 HB3 SER 48 2HB SER 48 -2.169 -13.280 -3.548 351 HG SER 48 HG SER 48 -1.821 -11.184 -4.564 352 H ILE 49 H ILE 49 -4.182 -9.998 -4.907 353 HA ILE 49 HA ILE 49 -5.736 -8.831 -2.703 354 HB ILE 49 HB ILE 49 -4.226 -7.065 -4.529 355 HG12 ILE 49 1HG1 ILE 49 -2.697 -9.043 -4.115 356 HG13 ILE 49 2HG1 ILE 49 -2.081 -7.470 -3.649 357 HG21 ILE 49 1HG2 ILE 49 -4.922 -5.694 -2.921 358 HG22 ILE 49 2HG2 ILE 49 -5.361 -7.045 -1.849 359 HG23 ILE 49 3HG2 ILE 49 -3.688 -6.437 -1.875 360 HD11 ILE 49 1HD1 ILE 49 -3.588 -9.057 -1.576 361 HD12 ILE 49 2HD1 ILE 49 -1.929 -9.555 -1.986 362 HD13 ILE 49 3HD1 ILE 49 -2.238 -7.915 -1.366 363 H ALA 50 H ALA 50 -6.517 -6.462 -4.034 364 HA ALA 50 HA ALA 50 -8.061 -7.507 -6.301 365 HB1 ALA 50 1HB ALA 50 -10.007 -7.149 -5.231 366 HB2 ALA 50 2HB ALA 50 -9.069 -6.908 -3.739 367 HB3 ALA 50 3HB ALA 50 -9.505 -5.511 -4.751 368 H LEU 51 H LEU 51 -5.788 -6.338 -6.974 369 HA LEU 51 HA LEU 51 -5.384 -3.690 -6.885 370 HB2 LEU 51 1HB LEU 51 -4.556 -5.862 -8.480 371 HB3 LEU 51 2HB LEU 51 -5.007 -4.587 -9.594 372 HG LEU 51 HG LEU 51 -2.920 -4.483 -7.409 373 HD11 LEU 51 1HD1 LEU 51 -2.112 -5.532 -9.398 374 HD12 LEU 51 2HD1 LEU 51 -2.800 -4.251 -10.425 375 HD13 LEU 51 3HD1 LEU 51 -1.439 -3.885 -9.337 376 HD21 LEU 51 1HD2 LEU 51 -2.659 -2.089 -8.668 377 HD22 LEU 51 2HD2 LEU 51 -4.429 -2.279 -8.667 378 HD23 LEU 51 3HD2 LEU 51 -3.527 -2.336 -7.133 379 H LYS 52 H LYS 52 -8.025 -5.383 -8.523 380 HA LYS 52 HA LYS 52 -8.804 -2.964 -9.919 381 HB2 LYS 52 1HB LYS 52 -9.261 -5.817 -10.213 382 HB3 LYS 52 2HB LYS 52 -10.777 -4.940 -10.236 383 HG2 LYS 52 1HG LYS 52 -8.353 -4.153 -11.919 384 HG3 LYS 52 2HG LYS 52 -9.644 -5.182 -12.507 385 HD2 LYS 52 1HD LYS 52 -9.811 -2.259 -11.685 386 HD3 LYS 52 2HD LYS 52 -10.198 -2.964 -13.241 387 HE2 LYS 52 1HE LYS 52 -11.972 -4.360 -11.755 388 HE3 LYS 52 2HE LYS 52 -11.813 -2.972 -10.696 389 HZ1 LYS 52 1HZ LYS 52 -13.201 -3.155 -13.103 390 HZ2 LYS 52 2HZ LYS 52 -13.145 -1.901 -12.058 391 HZ3 LYS 52 3HZ LYS 52 -12.051 -2.007 -13.266 392 H LYS 53 H LYS 53 -8.679 -2.564 -7.153 393 HA LYS 53 HA LYS 53 -11.403 -1.838 -6.669 394 HB2 LYS 53 1HB LYS 53 -10.833 -4.359 -5.839 395 HB3 LYS 53 2HB LYS 53 -10.336 -3.456 -4.422 396 HG2 LYS 53 1HG LYS 53 -12.627 -2.203 -4.666 397 HG3 LYS 53 2HG LYS 53 -13.075 -3.514 -5.739 398 HD2 LYS 53 1HD LYS 53 -12.217 -3.766 -2.820 399 HD3 LYS 53 2HD LYS 53 -13.824 -4.040 -3.462 400 HE2 LYS 53 1HE LYS 53 -12.555 -5.817 -5.015 401 HE3 LYS 53 2HE LYS 53 -11.350 -5.755 -3.745 402 HZ1 LYS 53 1HZ LYS 53 -14.121 -6.051 -2.953 403 HZ2 LYS 53 2HZ LYS 53 -13.378 -7.349 -3.608 404 HZ3 LYS 53 3HZ LYS 53 -12.773 -6.657 -2.259 405 H VAL 54 H VAL 54 -8.061 -2.262 -5.359 406 HA VAL 54 HA VAL 54 -8.085 -0.398 -3.388 407 HB VAL 54 HB VAL 54 -6.217 -1.834 -3.815 408 HG11 VAL 54 1HG1 VAL 54 -6.454 -1.786 -6.330 409 HG12 VAL 54 2HG1 VAL 54 -5.590 -0.230 -6.311 410 HG13 VAL 54 3HG1 VAL 54 -4.782 -1.703 -5.724 411 HG21 VAL 54 1HG2 VAL 54 -5.847 0.401 -2.709 412 HG22 VAL 54 2HG2 VAL 54 -4.400 -0.318 -3.455 413 HG23 VAL 54 3HG2 VAL 54 -5.260 1.006 -4.276 414 H LYS 55 H LYS 55 -7.262 1.870 -3.327 415 HA LYS 55 HA LYS 55 -8.209 3.301 -5.709 416 HB2 LYS 55 1HB LYS 55 -8.396 3.849 -2.768 417 HB3 LYS 55 2HB LYS 55 -8.308 5.209 -3.870 418 HG2 LYS 55 1HG LYS 55 -10.233 2.975 -4.521 419 HG3 LYS 55 2HG LYS 55 -10.657 4.077 -3.225 420 HD2 LYS 55 1HD LYS 55 -11.464 5.454 -4.847 421 HD3 LYS 55 2HD LYS 55 -9.791 5.825 -5.215 422 HE2 LYS 55 1HE LYS 55 -9.790 4.565 -7.144 423 HE3 LYS 55 2HE LYS 55 -10.777 3.298 -6.445 424 HZ1 LYS 55 1HZ LYS 55 -11.883 4.615 -8.180 425 HZ2 LYS 55 2HZ LYS 55 -12.699 4.613 -6.766 426 HZ3 LYS 55 3HZ LYS 55 -11.837 5.927 -7.209 427 H PHE 56 H PHE 56 -6.474 3.721 -6.993 428 HA PHE 56 HA PHE 56 -3.947 4.349 -5.718 429 HB2 PHE 56 1HB PHE 56 -5.026 3.756 -8.514 430 HB3 PHE 56 2HB PHE 56 -3.436 4.477 -8.357 431 HD1 PHE 56 2HD PHE 56 -4.596 2.147 -5.800 432 HD2 PHE 56 1HD PHE 56 -2.416 2.529 -9.421 433 HE1 PHE 56 2HE PHE 56 -3.600 -0.129 -5.441 434 HE2 PHE 56 1HE PHE 56 -1.420 0.254 -9.062 435 HZ PHE 56 HZ PHE 56 -2.024 -1.048 -7.076 436 H GLN 57 H GLN 57 -6.301 6.225 -5.546 437 HA GLN 57 HA GLN 57 -4.841 8.535 -6.346 438 HB2 GLN 57 1HB GLN 57 -7.136 9.375 -7.479 439 HB3 GLN 57 2HB GLN 57 -5.869 8.594 -8.403 440 HG2 GLN 57 1HG GLN 57 -6.999 6.476 -8.384 441 HG3 GLN 57 2HG GLN 57 -8.067 6.959 -7.082 442 HE21 GLN 57 1HE2 GLN 57 -9.934 6.543 -8.169 443 HE22 GLN 57 2HE2 GLN 57 -10.516 7.478 -9.507 444 H ALA 58 H ALA 58 -5.933 7.113 -3.910 445 HA ALA 58 HA ALA 58 -8.177 8.509 -2.962 446 HB1 ALA 58 1HB ALA 58 -7.816 6.578 -1.770 447 HB2 ALA 58 2HB ALA 58 -6.045 6.719 -1.869 448 HB3 ALA 58 3HB ALA 58 -6.952 7.709 -0.701 449 H LYS 59 H LYS 59 -8.386 10.577 -2.262 450 HA LYS 59 HA LYS 59 -5.891 11.993 -1.630 451 HB2 LYS 59 1HB LYS 59 -7.977 12.596 -3.481 452 HB3 LYS 59 2HB LYS 59 -8.053 13.787 -2.198 453 HG2 LYS 59 1HG LYS 59 -5.367 13.054 -3.399 454 HG3 LYS 59 2HG LYS 59 -6.422 14.162 -4.253 455 HD2 LYS 59 1HD LYS 59 -5.632 14.548 -1.330 456 HD3 LYS 59 2HD LYS 59 -4.727 15.244 -2.660 457 HE2 LYS 59 1HE LYS 59 -7.599 15.788 -2.946 458 HE3 LYS 59 2HE LYS 59 -7.004 16.354 -1.397 459 HZ1 LYS 59 1HZ LYS 59 -6.298 17.235 -4.048 460 HZ2 LYS 59 2HZ LYS 59 -6.422 18.092 -2.663 461 HZ3 LYS 59 3HZ LYS 59 -5.082 17.207 -2.958 462 H LEU 60 H LEU 60 -8.645 10.531 -0.319 463 HA LEU 60 HA LEU 60 -8.601 12.392 1.954 464 HB2 LEU 60 1HB LEU 60 -10.846 10.497 1.327 465 HB3 LEU 60 2HB LEU 60 -10.849 11.894 2.386 466 HG LEU 60 HG LEU 60 -10.881 11.839 -0.633 467 HD11 LEU 60 1HD1 LEU 60 -13.071 11.735 -0.002 468 HD12 LEU 60 2HD1 LEU 60 -12.793 12.590 1.534 469 HD13 LEU 60 3HD1 LEU 60 -12.844 13.500 0.005 470 HD21 LEU 60 1HD2 LEU 60 -11.013 14.506 0.037 471 HD22 LEU 60 2HD2 LEU 60 -9.748 13.889 1.127 472 HD23 LEU 60 3HD2 LEU 60 -9.594 13.665 -0.632 473 H GLU 61 H GLU 61 -9.011 11.293 4.114 474 HA GLU 61 HA GLU 61 -7.123 9.230 4.366 475 HB2 GLU 61 1HB GLU 61 -8.387 11.104 6.062 476 HB3 GLU 61 2HB GLU 61 -8.880 9.544 6.688 477 HG2 GLU 61 1HG GLU 61 -6.630 8.840 7.066 478 HG3 GLU 61 2HG GLU 61 -5.970 10.054 5.988 479 H HIS 62 H HIS 62 -10.717 9.363 4.928 480 HA HIS 62 HA HIS 62 -11.222 6.852 5.653 481 HB2 HIS 62 1HB HIS 62 -13.412 7.089 4.680 482 HB3 HIS 62 2HB HIS 62 -12.900 8.624 5.354 483 HD1 HIS 62 1HD HIS 62 -14.180 7.100 2.281 484 HD2 HIS 62 2HD HIS 62 -11.963 10.520 3.274 485 HE1 HIS 62 1HE HIS 62 -14.319 8.654 0.262 486 H GLU 63 H GLU 63 -10.277 7.961 2.383 487 HA GLU 63 HA GLU 63 -10.869 5.587 1.077 488 HB2 GLU 63 1HB GLU 63 -8.631 7.517 0.346 489 HB3 GLU 63 2HB GLU 63 -9.520 6.466 -0.739 490 HG2 GLU 63 1HG GLU 63 -11.346 8.187 0.785 491 HG3 GLU 63 2HG GLU 63 -10.153 9.143 -0.073 492 H TYR 64 H TYR 64 -7.660 6.855 2.246 493 HA TYR 64 HA TYR 64 -6.016 4.851 1.666 494 HB2 TYR 64 1HB TYR 64 -6.413 6.166 4.427 495 HB3 TYR 64 2HB TYR 64 -4.902 5.486 3.858 496 HD1 TYR 64 2HD TYR 64 -5.807 6.766 0.929 497 HD2 TYR 64 1HD TYR 64 -4.949 8.217 4.861 498 HE1 TYR 64 2HE TYR 64 -5.157 9.026 -0.039 499 HE2 TYR 64 1HE TYR 64 -4.302 10.472 3.880 500 HH TYR 64 HH TYR 64 -3.387 11.212 1.523 501 H ILE 65 H ILE 65 -8.267 4.851 4.513 502 HA ILE 65 HA ILE 65 -7.516 2.511 5.667 503 HB ILE 65 HB ILE 65 -10.106 3.972 5.413 504 HG12 ILE 65 1HG1 ILE 65 -9.372 3.455 8.090 505 HG13 ILE 65 2HG1 ILE 65 -7.880 3.840 7.255 506 HG21 ILE 65 1HG2 ILE 65 -11.065 2.323 7.085 507 HG22 ILE 65 2HG2 ILE 65 -10.955 1.768 5.398 508 HG23 ILE 65 3HG2 ILE 65 -9.762 1.214 6.596 509 HD11 ILE 65 1HD1 ILE 65 -8.701 5.967 6.517 510 HD12 ILE 65 2HD1 ILE 65 -10.383 5.536 6.908 511 HD13 ILE 65 3HD1 ILE 65 -9.212 5.828 8.216 512 H GLN 66 H GLN 66 -10.262 2.765 3.293 513 HA GLN 66 HA GLN 66 -10.673 0.149 2.930 514 HB2 GLN 66 1HB GLN 66 -10.854 2.500 1.032 515 HB3 GLN 66 2HB GLN 66 -11.241 0.892 0.456 516 HG2 GLN 66 1HG GLN 66 -12.633 0.966 2.856 517 HG3 GLN 66 2HG GLN 66 -12.742 2.637 2.339 518 HE21 GLN 66 1HE2 GLN 66 -14.980 1.137 2.523 519 HE22 GLN 66 2HE2 GLN 66 -15.642 0.783 0.962 520 H ASN 67 H ASN 67 -8.341 2.182 1.016 521 HA ASN 67 HA ASN 67 -7.397 0.401 -0.696 522 HB2 ASN 67 1HB ASN 67 -5.597 2.206 1.005 523 HB3 ASN 67 2HB ASN 67 -5.227 1.605 -0.599 524 HD21 ASN 67 1HD2 ASN 67 -4.959 3.772 -1.255 525 HD22 ASN 67 2HD2 ASN 67 -6.308 4.785 -1.645 526 H PHE 68 H PHE 68 -6.351 0.815 2.764 527 HA PHE 68 HA PHE 68 -4.490 -1.306 2.686 528 HB2 PHE 68 1HB PHE 68 -5.969 0.377 4.758 529 HB3 PHE 68 2HB PHE 68 -5.023 -0.988 5.314 530 HD1 PHE 68 2HD PHE 68 -2.543 -1.063 4.445 531 HD2 PHE 68 1HD PHE 68 -4.939 2.438 4.529 532 HE1 PHE 68 2HE PHE 68 -0.472 0.356 4.402 533 HE2 PHE 68 1HE PHE 68 -2.869 3.857 4.486 534 HZ PHE 68 HZ PHE 68 -0.660 2.798 4.424 535 H LYS 69 H LYS 69 -7.908 -0.992 3.836 536 HA LYS 69 HA LYS 69 -8.252 -3.364 5.074 537 HB2 LYS 69 1HB LYS 69 -10.168 -1.960 3.189 538 HB3 LYS 69 2HB LYS 69 -10.619 -3.228 4.311 539 HG2 LYS 69 1HG LYS 69 -9.338 -1.610 6.062 540 HG3 LYS 69 2HG LYS 69 -9.782 -0.393 4.882 541 HD2 LYS 69 1HD LYS 69 -11.943 -0.407 5.578 542 HD3 LYS 69 2HD LYS 69 -12.059 -2.141 5.353 543 HE2 LYS 69 1HE LYS 69 -12.006 -2.463 7.597 544 HE3 LYS 69 2HE LYS 69 -10.439 -1.685 7.693 545 HZ1 LYS 69 1HZ LYS 69 -13.054 -0.568 8.158 546 HZ2 LYS 69 2HZ LYS 69 -11.636 -0.244 8.900 547 HZ3 LYS 69 3HZ LYS 69 -11.969 0.423 7.447 548 H ILE 70 H ILE 70 -8.216 -2.761 1.515 549 HA ILE 70 HA ILE 70 -8.828 -5.420 0.831 550 HB ILE 70 HB ILE 70 -7.505 -3.169 -0.680 551 HG12 ILE 70 1HG1 ILE 70 -10.332 -4.252 -0.834 552 HG13 ILE 70 2HG1 ILE 70 -9.864 -2.838 0.090 553 HG21 ILE 70 1HG2 ILE 70 -8.721 -5.535 -2.053 554 HG22 ILE 70 2HG2 ILE 70 -7.475 -4.397 -2.618 555 HG23 ILE 70 3HG2 ILE 70 -7.060 -5.652 -1.426 556 HD11 ILE 70 1HD1 ILE 70 -10.763 -2.485 -2.336 557 HD12 ILE 70 2HD1 ILE 70 -9.305 -1.589 -1.848 558 HD13 ILE 70 3HD1 ILE 70 -9.156 -3.049 -2.854 559 H LEU 71 H LEU 71 -5.684 -3.602 0.930 560 HA LEU 71 HA LEU 71 -4.014 -5.606 0.197 561 HB2 LEU 71 1HB LEU 71 -3.360 -3.295 0.592 562 HB3 LEU 71 2HB LEU 71 -3.590 -3.497 2.317 563 HG LEU 71 HG LEU 71 -1.201 -3.660 1.128 564 HD11 LEU 71 1HD1 LEU 71 -0.446 -4.171 3.181 565 HD12 LEU 71 2HD1 LEU 71 -2.160 -4.040 3.643 566 HD13 LEU 71 3HD1 LEU 71 -1.449 -5.636 3.305 567 HD21 LEU 71 1HD2 LEU 71 -0.477 -5.826 0.605 568 HD22 LEU 71 2HD2 LEU 71 -1.920 -6.583 1.323 569 HD23 LEU 71 3HD2 LEU 71 -2.057 -5.673 -0.201 570 H GLN 72 H GLN 72 -5.023 -4.872 3.614 571 HA GLN 72 HA GLN 72 -3.784 -6.794 4.921 572 HB2 GLN 72 1HB GLN 72 -5.996 -5.149 5.404 573 HB3 GLN 72 2HB GLN 72 -6.633 -6.757 5.682 574 HG2 GLN 72 1HG GLN 72 -3.976 -5.904 6.891 575 HG3 GLN 72 2HG GLN 72 -5.490 -5.506 7.679 576 HE21 GLN 72 1HE2 GLN 72 -3.061 -7.742 7.388 577 HE22 GLN 72 2HE2 GLN 72 -3.818 -9.138 8.080 578 H ALA 73 H ALA 73 -6.990 -7.291 3.271 579 HA ALA 73 HA ALA 73 -7.396 -9.906 3.801 580 HB1 ALA 73 1HB ALA 73 -8.704 -8.142 2.365 581 HB2 ALA 73 2HB ALA 73 -7.802 -8.849 1.003 582 HB3 ALA 73 3HB ALA 73 -8.873 -9.873 1.988 583 H GLY 74 H GLY 74 -5.252 -8.513 1.241 584 HA2 GLY 74 1HA GLY 74 -4.469 -10.633 -0.187 585 HA3 GLY 74 2HA GLY 74 -3.353 -9.398 0.364 586 H PHE 75 H PHE 75 -3.304 -9.851 3.161 587 HA PHE 75 HA PHE 75 -1.500 -11.989 3.286 588 HB2 PHE 75 1HB PHE 75 -3.066 -10.264 5.279 589 HB3 PHE 75 2HB PHE 75 -1.954 -11.491 5.853 590 HD1 PHE 75 1HD PHE 75 -0.961 -9.931 2.775 591 HD2 PHE 75 2HD PHE 75 -0.832 -9.539 6.998 592 HE1 PHE 75 1HE PHE 75 0.941 -8.307 2.566 593 HE2 PHE 75 2HE PHE 75 1.070 -7.915 6.790 594 HZ PHE 75 HZ PHE 75 1.934 -7.318 4.576 595 H LYS 76 H LYS 76 -4.828 -11.592 4.705 596 HA LYS 76 HA LYS 76 -4.894 -14.307 5.548 597 HB2 LYS 76 1HB LYS 76 -7.103 -13.805 6.319 598 HB3 LYS 76 2HB LYS 76 -6.076 -12.436 6.689 599 HG2 LYS 76 1HG LYS 76 -7.351 -11.047 5.425 600 HG3 LYS 76 2HG LYS 76 -7.204 -12.094 4.028 601 HD2 LYS 76 1HD LYS 76 -9.059 -13.520 4.873 602 HD3 LYS 76 2HD LYS 76 -9.184 -12.532 6.314 603 HE2 LYS 76 1HE LYS 76 -10.170 -10.742 5.183 604 HE3 LYS 76 2HE LYS 76 -9.356 -11.102 3.673 605 HZ1 LYS 76 1HZ LYS 76 -11.540 -12.697 4.824 606 HZ2 LYS 76 2HZ LYS 76 -11.693 -11.636 3.592 607 HZ3 LYS 76 3HZ LYS 76 -10.801 -12.990 3.398 608 H ARG 77 H ARG 77 -4.082 -14.794 3.131 609 HA ARG 77 HA ARG 77 -6.344 -16.024 1.944 610 HB2 ARG 77 1HB ARG 77 -4.900 -13.732 0.553 611 HB3 ARG 77 2HB ARG 77 -5.678 -14.991 -0.387 612 HG2 ARG 77 1HG ARG 77 -7.716 -14.433 1.330 613 HG3 ARG 77 2HG ARG 77 -6.913 -12.875 1.350 614 HD2 ARG 77 1HD ARG 77 -7.106 -12.655 -1.076 615 HD3 ARG 77 2HD ARG 77 -7.656 -14.311 -1.240 616 HE ARG 77 HE ARG 77 -9.497 -13.146 0.507 617 HH11 ARG 77 2HH2 ARG 77 -8.358 -12.457 -2.750 618 HH12 ARG 77 1HH2 ARG 77 -9.851 -11.739 -3.257 619 HH21 ARG 77 2HH1 ARG 77 -11.466 -12.199 -0.161 620 HH22 ARG 77 1HH1 ARG 77 -11.630 -11.592 -1.775 621 H MET 78 H MET 78 -2.881 -15.021 1.667 622 HA MET 78 HA MET 78 -2.307 -17.467 0.245 623 HB2 MET 78 1HB MET 78 -0.350 -15.295 1.156 624 HB3 MET 78 2HB MET 78 -0.119 -16.444 -0.147 625 HG2 MET 78 1HG MET 78 -2.029 -14.071 -0.080 626 HG3 MET 78 2HG MET 78 -0.700 -14.343 -1.188 627 HE1 MET 78 1HE MET 78 -0.968 -15.426 -3.460 628 HE2 MET 78 2HE MET 78 -0.635 -16.855 -2.453 629 HE3 MET 78 3HE MET 78 -1.927 -16.909 -3.677 630 H GLY 79 H GLY 79 -0.938 -15.690 3.119 631 HA2 GLY 79 1HA GLY 79 -1.125 -17.637 5.003 632 HA3 GLY 79 2HA GLY 79 0.313 -18.088 4.109 633 H VAL 80 H VAL 80 -1.237 -15.111 5.519 634 HA VAL 80 HA VAL 80 1.329 -14.499 6.758 635 HB VAL 80 HB VAL 80 -0.235 -12.424 5.227 636 HG11 VAL 80 1HG1 VAL 80 1.112 -11.372 6.846 637 HG12 VAL 80 2HG1 VAL 80 2.464 -12.500 6.585 638 HG13 VAL 80 3HG1 VAL 80 2.067 -11.285 5.347 639 HG21 VAL 80 1HG2 VAL 80 0.574 -14.158 3.658 640 HG22 VAL 80 2HG2 VAL 80 1.397 -12.597 3.426 641 HG23 VAL 80 3HG2 VAL 80 2.228 -13.924 4.273 642 H ASP 81 H ASP 81 0.921 -14.320 8.895 643 HA ASP 81 HA ASP 81 -1.768 -13.524 9.633 644 HB2 ASP 81 1HB ASP 81 -0.560 -14.234 11.991 645 HB3 ASP 81 2HB ASP 81 -1.443 -15.351 10.969 646 H LYS 82 H LYS 82 -0.937 -11.226 8.945 647 HA LYS 82 HA LYS 82 0.468 -10.028 11.230 648 HB2 LYS 82 1HB LYS 82 2.056 -9.869 9.539 649 HB3 LYS 82 2HB LYS 82 0.862 -9.634 8.279 650 HG2 LYS 82 1HG LYS 82 1.856 -7.481 8.617 651 HG3 LYS 82 2HG LYS 82 0.284 -7.390 9.386 652 HD2 LYS 82 1HD LYS 82 1.281 -7.777 11.602 653 HD3 LYS 82 2HD LYS 82 2.855 -8.067 10.887 654 HE2 LYS 82 1HE LYS 82 2.967 -5.739 10.071 655 HE3 LYS 82 2HE LYS 82 1.334 -5.430 10.625 656 HZ1 LYS 82 1HZ LYS 82 2.558 -4.674 12.358 657 HZ2 LYS 82 2HZ LYS 82 2.323 -6.207 12.869 658 HZ3 LYS 82 3HZ LYS 82 3.748 -5.781 12.196 659 H ILE 83 H ILE 83 -0.513 -8.281 12.191 660 HA ILE 83 HA ILE 83 -3.142 -7.613 11.114 661 HB ILE 83 HB ILE 83 -1.975 -6.965 13.820 662 HG12 ILE 83 1HG1 ILE 83 -1.970 -9.388 13.500 663 HG13 ILE 83 2HG1 ILE 83 -3.166 -8.903 14.685 664 HG21 ILE 83 1HG2 ILE 83 -3.773 -5.536 13.532 665 HG22 ILE 83 2HG2 ILE 83 -4.696 -6.715 12.570 666 HG23 ILE 83 3HG2 ILE 83 -4.524 -6.940 14.327 667 HD11 ILE 83 1HD1 ILE 83 -4.834 -8.866 12.646 668 HD12 ILE 83 2HD1 ILE 83 -3.597 -9.866 11.846 669 HD13 ILE 83 3HD1 ILE 83 -4.363 -10.432 13.350 670 H ILE 84 H ILE 84 -3.007 -6.019 9.602 671 HA ILE 84 HA ILE 84 -0.977 -4.047 9.699 672 HB ILE 84 HB ILE 84 -3.494 -4.356 8.069 673 HG12 ILE 84 1HG1 ILE 84 -0.565 -4.879 7.500 674 HG13 ILE 84 2HG1 ILE 84 -1.852 -6.063 7.611 675 HG21 ILE 84 1HG2 ILE 84 -1.314 -2.444 7.314 676 HG22 ILE 84 2HG2 ILE 84 -3.030 -2.469 6.843 677 HG23 ILE 84 3HG2 ILE 84 -2.564 -1.937 8.476 678 HD11 ILE 84 1HD1 ILE 84 -1.938 -5.824 5.335 679 HD12 ILE 84 2HD1 ILE 84 -2.898 -4.373 5.709 680 HD13 ILE 84 3HD1 ILE 84 -1.155 -4.226 5.378 681 HA PRO 85 HA PRO 85 -2.899 -1.221 12.344 682 HB2 PRO 85 1HB PRO 85 -1.458 1.029 11.773 683 HB3 PRO 85 2HB PRO 85 -0.884 -0.228 12.851 684 HG2 PRO 85 1HG PRO 85 -0.047 0.359 10.077 685 HG3 PRO 85 2HG PRO 85 0.783 -0.586 11.298 686 HD2 PRO 85 1HD PRO 85 -0.695 -1.595 9.056 687 HD3 PRO 85 2HD PRO 85 0.036 -2.538 10.340 688 H VAL 86 H VAL 86 -2.250 0.326 9.227 689 HA VAL 86 HA VAL 86 -3.570 1.477 7.882 690 HB VAL 86 HB VAL 86 -5.803 0.051 9.342 691 HG11 VAL 86 1HG1 VAL 86 -6.843 0.459 6.925 692 HG12 VAL 86 2HG1 VAL 86 -6.990 1.663 8.227 693 HG13 VAL 86 3HG1 VAL 86 -5.752 1.864 6.964 694 HG21 VAL 86 1HG2 VAL 86 -4.521 -1.665 8.432 695 HG22 VAL 86 2HG2 VAL 86 -5.701 -1.340 7.139 696 HG23 VAL 86 3HG2 VAL 86 -4.045 -0.700 7.014 697 H ASP 87 H ASP 87 -5.753 1.430 10.775 698 HA ASP 87 HA ASP 87 -6.507 3.981 10.678 699 HB2 ASP 87 1HB ASP 87 -7.242 2.199 12.328 700 HB3 ASP 87 2HB ASP 87 -5.776 2.491 13.243 701 H LYS 88 H LYS 88 -3.356 2.664 11.594 702 HA LYS 88 HA LYS 88 -2.507 5.156 12.816 703 HB2 LYS 88 1HB LYS 88 -0.712 2.797 12.327 704 HB3 LYS 88 2HB LYS 88 -0.661 3.987 13.612 705 HG2 LYS 88 1HG LYS 88 -2.839 3.064 14.505 706 HG3 LYS 88 2HG LYS 88 -2.795 1.829 13.263 707 HD2 LYS 88 1HD LYS 88 -1.807 0.705 15.072 708 HD3 LYS 88 2HD LYS 88 -0.396 1.284 14.209 709 HE2 LYS 88 1HE LYS 88 0.182 2.078 16.298 710 HE3 LYS 88 2HE LYS 88 -0.793 3.445 15.797 711 HZ1 LYS 88 1HZ LYS 88 -2.396 1.402 16.890 712 HZ2 LYS 88 2HZ LYS 88 -1.236 1.849 17.948 713 HZ3 LYS 88 3HZ LYS 88 -2.265 2.964 17.346 714 H LEU 89 H LEU 89 -2.083 3.204 9.838 715 HA LEU 89 HA LEU 89 -0.015 4.831 8.799 716 HB2 LEU 89 1HB LEU 89 -1.908 3.101 7.222 717 HB3 LEU 89 2HB LEU 89 -0.271 3.573 6.812 718 HG LEU 89 HG LEU 89 -0.969 1.792 9.161 719 HD11 LEU 89 1HD1 LEU 89 -1.652 0.738 7.051 720 HD12 LEU 89 2HD1 LEU 89 -0.012 0.976 6.403 721 HD13 LEU 89 3HD1 LEU 89 -0.271 -0.100 7.797 722 HD21 LEU 89 1HD2 LEU 89 1.571 2.852 8.013 723 HD22 LEU 89 2HD2 LEU 89 1.116 2.529 9.703 724 HD23 LEU 89 3HD2 LEU 89 1.565 1.182 8.629 725 H VAL 90 H VAL 90 -3.585 4.628 8.176 726 HA VAL 90 HA VAL 90 -3.655 6.730 6.355 727 HB VAL 90 HB VAL 90 -6.034 6.733 6.770 728 HG11 VAL 90 1HG1 VAL 90 -6.461 4.632 5.940 729 HG12 VAL 90 2HG1 VAL 90 -4.701 4.713 5.687 730 HG13 VAL 90 3HG1 VAL 90 -5.360 3.831 7.086 731 HG21 VAL 90 1HG2 VAL 90 -5.217 5.659 9.392 732 HG22 VAL 90 2HG2 VAL 90 -6.659 6.596 8.930 733 HG23 VAL 90 3HG2 VAL 90 -6.618 4.836 8.663 734 H LYS 91 H LYS 91 -2.994 6.698 9.746 735 HA LYS 91 HA LYS 91 -3.906 9.435 10.099 736 HB2 LYS 91 1HB LYS 91 -3.027 7.212 11.897 737 HB3 LYS 91 2HB LYS 91 -2.799 8.857 12.454 738 HG2 LYS 91 1HG LYS 91 -5.272 9.270 11.796 739 HG3 LYS 91 2HG LYS 91 -5.412 7.532 11.620 740 HD2 LYS 91 1HD LYS 91 -5.368 7.161 13.886 741 HD3 LYS 91 2HD LYS 91 -4.122 8.363 14.162 742 HE2 LYS 91 1HE LYS 91 -6.279 9.950 13.411 743 HE3 LYS 91 2HE LYS 91 -7.078 8.649 14.272 744 HZ1 LYS 91 1HZ LYS 91 -6.460 10.303 15.814 745 HZ2 LYS 91 2HZ LYS 91 -5.469 9.032 16.081 746 HZ3 LYS 91 3HZ LYS 91 -4.913 10.349 15.292 747 H GLY 92 H GLY 92 -1.204 7.761 8.885 748 HA2 GLY 92 1HA GLY 92 0.952 8.317 8.528 749 HA3 GLY 92 2HA GLY 92 0.321 9.936 8.301 750 H LYS 93 H LYS 93 1.430 7.619 10.850 751 HA LYS 93 HA LYS 93 2.075 9.930 12.529 752 HB2 LYS 93 1HB LYS 93 1.445 7.046 13.100 753 HB3 LYS 93 2HB LYS 93 2.401 7.968 14.242 754 HG2 LYS 93 1HG LYS 93 0.102 9.541 13.355 755 HG3 LYS 93 2HG LYS 93 -0.430 7.983 13.957 756 HD2 LYS 93 1HD LYS 93 -0.327 9.044 15.995 757 HD3 LYS 93 2HD LYS 93 1.364 8.592 15.910 758 HE2 LYS 93 1HE LYS 93 2.021 10.778 15.124 759 HE3 LYS 93 2HE LYS 93 0.368 11.228 14.755 760 HZ1 LYS 93 1HZ LYS 93 1.451 10.743 17.442 761 HZ2 LYS 93 2HZ LYS 93 1.054 12.194 16.809 762 HZ3 LYS 93 3HZ LYS 93 -0.111 11.094 17.123 763 H PHE 94 H PHE 94 3.472 8.393 10.063 764 HA PHE 94 HA PHE 94 5.555 8.100 9.402 765 HB2 PHE 94 1HB PHE 94 5.798 10.333 10.660 766 HB3 PHE 94 2HB PHE 94 6.252 9.428 12.090 767 HD1 PHE 94 2HD PHE 94 7.268 9.889 8.531 768 HD2 PHE 94 1HD PHE 94 8.495 9.016 12.498 769 HE1 PHE 94 2HE PHE 94 9.668 9.935 7.798 770 HE2 PHE 94 1HE PHE 94 10.896 9.062 11.765 771 HZ PHE 94 HZ PHE 94 11.453 9.521 9.424 772 H GLN 95 H GLN 95 5.830 7.789 13.021 773 HA GLN 95 HA GLN 95 7.657 5.789 13.002 774 HB2 GLN 95 1HB GLN 95 6.883 7.079 15.006 775 HB3 GLN 95 2HB GLN 95 5.386 6.168 15.005 776 HG2 GLN 95 1HG GLN 95 7.711 4.376 14.896 777 HG3 GLN 95 2HG GLN 95 7.806 5.447 16.281 778 HE21 GLN 95 1HE2 GLN 95 7.540 2.814 16.703 779 HE22 GLN 95 2HE2 GLN 95 5.968 2.407 17.307 780 H ASP 96 H ASP 96 4.061 5.363 13.410 781 HA ASP 96 HA ASP 96 4.202 2.599 13.189 782 HB2 ASP 96 1HB ASP 96 2.088 4.706 13.155 783 HB3 ASP 96 2HB ASP 96 1.640 3.212 12.355 784 H ASN 97 H ASN 97 4.651 5.099 10.892 785 HA ASN 97 HA ASN 97 3.479 3.673 8.699 786 HB2 ASN 97 1HB ASN 97 4.275 6.383 9.240 787 HB3 ASN 97 2HB ASN 97 5.255 5.843 7.891 788 HD21 ASN 97 1HD2 ASN 97 1.909 5.684 9.097 789 HD22 ASN 97 2HD2 ASN 97 1.114 5.923 7.576 790 H PHE 98 H PHE 98 6.618 4.274 10.279 791 HA PHE 98 HA PHE 98 8.049 3.022 8.075 792 HB2 PHE 98 1HB PHE 98 8.793 5.162 9.304 793 HB3 PHE 98 2HB PHE 98 8.956 4.210 10.766 794 HD1 PHE 98 2HD PHE 98 10.468 2.001 10.396 795 HD2 PHE 98 1HD PHE 98 10.719 5.574 8.120 796 HE1 PHE 98 2HE PHE 98 12.828 1.430 9.760 797 HE2 PHE 98 1HE PHE 98 13.080 5.003 7.484 798 HZ PHE 98 HZ PHE 98 14.106 2.938 8.312 799 H GLU 99 H GLU 99 7.093 2.521 11.494 800 HA GLU 99 HA GLU 99 8.727 0.249 11.812 801 HB2 GLU 99 1HB GLU 99 6.275 1.148 13.391 802 HB3 GLU 99 2HB GLU 99 7.413 -0.080 13.909 803 HG2 GLU 99 1HG GLU 99 8.351 2.724 13.196 804 HG3 GLU 99 2HG GLU 99 7.738 2.358 14.796 805 H PHE 100 H PHE 100 6.071 0.770 9.848 806 HA PHE 100 HA PHE 100 5.010 -1.925 10.248 807 HB2 PHE 100 1HB PHE 100 3.304 -0.196 10.191 808 HB3 PHE 100 2HB PHE 100 4.125 0.680 8.914 809 HD1 PHE 100 2HD PHE 100 3.925 -0.036 6.585 810 HD2 PHE 100 1HD PHE 100 1.869 -2.080 9.685 811 HE1 PHE 100 2HE PHE 100 2.459 -1.150 4.879 812 HE2 PHE 100 1HE PHE 100 0.404 -3.194 7.978 813 HZ PHE 100 HZ PHE 100 0.716 -2.716 5.596 814 H VAL 101 H VAL 101 6.397 0.311 7.772 815 HA VAL 101 HA VAL 101 6.224 -1.539 5.658 816 HB VAL 101 HB VAL 101 6.409 0.890 5.396 817 HG11 VAL 101 1HG1 VAL 101 9.327 0.629 6.173 818 HG12 VAL 101 2HG1 VAL 101 8.411 2.113 5.819 819 HG13 VAL 101 3HG1 VAL 101 8.061 1.183 7.296 820 HG21 VAL 101 1HG2 VAL 101 8.519 -0.852 4.110 821 HG22 VAL 101 2HG2 VAL 101 6.954 -0.321 3.449 822 HG23 VAL 101 3HG2 VAL 101 8.282 0.849 3.641 823 H GLN 102 H GLN 102 8.992 -0.518 7.782 824 HA GLN 102 HA GLN 102 10.939 -2.021 6.805 825 HB2 GLN 102 1HB GLN 102 11.734 -2.275 9.238 826 HB3 GLN 102 2HB GLN 102 11.412 -0.643 8.685 827 HG2 GLN 102 1HG GLN 102 10.052 -0.435 10.496 828 HG3 GLN 102 2HG GLN 102 8.915 -1.454 9.636 829 HE21 GLN 102 1HE2 GLN 102 11.264 -1.228 12.156 830 HE22 GLN 102 2HE2 GLN 102 11.024 -2.782 12.883 831 H TRP 103 H TRP 103 8.332 -3.193 9.029 832 HA TRP 103 HA TRP 103 9.297 -5.805 9.264 833 HB2 TRP 103 1HB TRP 103 7.707 -4.951 10.821 834 HB3 TRP 103 2HB TRP 103 6.543 -4.608 9.556 835 HD1 TRP 103 HD TRP 103 7.787 -7.481 11.738 836 HE1 TRP 103 1HE TRP 103 6.297 -9.641 11.458 837 HE3 TRP 103 3HE TRP 103 5.135 -5.773 7.751 838 HZ2 TRP 103 2HZ TRP 103 4.223 -10.376 9.641 839 HZ3 TRP 103 3HZ TRP 103 3.396 -7.274 6.783 840 HH2 TRP 103 HH TRP 103 2.922 -9.504 7.664 841 H PHE 104 H PHE 104 6.725 -4.365 7.125 842 HA PHE 104 HA PHE 104 6.032 -6.548 5.703 843 HB2 PHE 104 1HB PHE 104 6.175 -3.606 5.397 844 HB3 PHE 104 2HB PHE 104 6.346 -4.392 3.840 845 HD1 PHE 104 1HD PHE 104 4.146 -4.301 6.839 846 HD2 PHE 104 2HD PHE 104 4.455 -5.121 2.687 847 HE1 PHE 104 1HE PHE 104 1.655 -4.586 6.710 848 HE2 PHE 104 2HE PHE 104 1.965 -5.406 2.558 849 HZ PHE 104 HZ PHE 104 0.595 -5.136 4.571 850 H LYS 105 H LYS 105 8.721 -4.261 4.807 851 HA LYS 105 HA LYS 105 9.592 -5.604 2.584 852 HB2 LYS 105 1HB LYS 105 10.345 -3.375 3.194 853 HB3 LYS 105 2HB LYS 105 11.164 -3.993 4.614 854 HG2 LYS 105 1HG LYS 105 12.800 -5.164 3.308 855 HG3 LYS 105 2HG LYS 105 11.839 -5.057 1.847 856 HD2 LYS 105 1HD LYS 105 12.523 -2.903 1.383 857 HD3 LYS 105 2HD LYS 105 12.534 -2.426 3.069 858 HE2 LYS 105 1HE LYS 105 14.644 -4.214 1.768 859 HE3 LYS 105 2HE LYS 105 14.836 -2.494 2.039 860 HZ1 LYS 105 1HZ LYS 105 15.508 -4.370 3.790 861 HZ2 LYS 105 2HZ LYS 105 15.184 -2.822 4.197 862 HZ3 LYS 105 3HZ LYS 105 14.030 -3.967 4.355 863 H LYS 106 H LYS 106 10.974 -5.914 5.937 864 HA LYS 106 HA LYS 106 12.718 -7.915 5.502 865 HB2 LYS 106 1HB LYS 106 10.930 -7.314 7.857 866 HB3 LYS 106 2HB LYS 106 12.076 -8.639 7.902 867 HG2 LYS 106 1HG LYS 106 12.796 -5.738 7.266 868 HG3 LYS 106 2HG LYS 106 13.020 -6.501 8.828 869 HD2 LYS 106 1HD LYS 106 15.088 -7.090 8.080 870 HD3 LYS 106 2HD LYS 106 14.271 -8.312 7.126 871 HE2 LYS 106 1HE LYS 106 14.863 -7.271 5.199 872 HE3 LYS 106 2HE LYS 106 14.080 -5.791 5.715 873 HZ1 LYS 106 1HZ LYS 106 16.745 -6.561 6.666 874 HZ2 LYS 106 2HZ LYS 106 16.517 -5.660 5.323 875 HZ3 LYS 106 3HZ LYS 106 16.030 -5.097 6.777 876 H PHE 107 H PHE 107 9.211 -8.392 6.338 877 HA PHE 107 HA PHE 107 9.230 -11.140 6.103 878 HB2 PHE 107 1HB PHE 107 7.425 -9.539 7.000 879 HB3 PHE 107 2HB PHE 107 7.050 -9.103 5.344 880 HD1 PHE 107 1HD PHE 107 7.014 -11.900 7.762 881 HD2 PHE 107 2HD PHE 107 5.636 -10.459 4.016 882 HE1 PHE 107 1HE PHE 107 5.384 -13.804 7.628 883 HE2 PHE 107 2HE PHE 107 4.006 -12.363 3.882 884 HZ PHE 107 HZ PHE 107 3.900 -14.013 5.690 885 H PHE 108 H PHE 108 8.252 -8.666 3.618 886 HA PHE 108 HA PHE 108 7.565 -10.262 1.580 887 HB2 PHE 108 1HB PHE 108 8.927 -7.623 1.984 888 HB3 PHE 108 2HB PHE 108 9.189 -8.297 0.388 889 HD1 PHE 108 1HD PHE 108 6.241 -8.134 2.687 890 HD2 PHE 108 2HD PHE 108 7.809 -7.334 -1.174 891 HE1 PHE 108 1HE PHE 108 4.000 -7.273 1.956 892 HE2 PHE 108 2HE PHE 108 5.567 -6.473 -1.906 893 HZ PHE 108 HZ PHE 108 3.690 -6.453 -0.332 894 H ASP 109 H ASP 109 10.971 -9.215 2.310 895 HA ASP 109 HA ASP 109 12.130 -10.588 0.245 896 HB2 ASP 109 1HB ASP 109 13.130 -8.884 1.945 897 HB3 ASP 109 2HB ASP 109 13.393 -10.261 2.996 898 H SER 110 H SER 110 11.552 -11.526 3.712 899 HA SER 110 HA SER 110 11.407 -13.443 4.717 900 HB2 SER 110 1HB SER 110 9.721 -14.210 3.243 901 HB3 SER 110 2HB SER 110 10.825 -14.352 1.890 902 HG SER 110 HG SER 110 10.060 -16.363 3.248 903 H GLY 111 H GLY 111 12.859 -15.016 5.549 904 HA2 GLY 111 1HA GLY 111 14.909 -16.220 4.016 905 HA3 GLY 111 2HA GLY 111 15.544 -14.813 4.846 906 HA PRO 112 HA PRO 112 15.951 -17.577 8.212 907 HB2 PRO 112 1HB PRO 112 17.279 -15.894 9.908 908 HB3 PRO 112 2HB PRO 112 18.083 -16.838 8.670 909 HG2 PRO 112 1HG PRO 112 17.482 -13.944 8.696 910 HG3 PRO 112 2HG PRO 112 18.631 -14.817 7.702 911 HD2 PRO 112 1HD PRO 112 16.064 -13.828 6.890 912 HD3 PRO 112 2HD PRO 112 17.163 -14.801 5.933 913 H SER 113 H SER 113 13.421 -16.903 7.922 914 HA SER 113 HA SER 113 12.773 -16.261 10.671 915 HB2 SER 113 1HB SER 113 11.534 -14.924 8.227 916 HB3 SER 113 2HB SER 113 10.846 -14.828 9.836 917 HG SER 113 HG SER 113 13.258 -14.093 10.341 918 H SER 114 H SER 114 10.349 -16.817 11.107 919 HA SER 114 HA SER 114 9.086 -18.511 9.248 920 HB2 SER 114 1HB SER 114 10.831 -20.085 10.061 921 HB3 SER 114 2HB SER 114 10.317 -19.819 11.715 922 HG SER 114 HG SER 114 9.438 -21.741 10.275 923 H GLY 115 H GLY 115 9.490 -18.010 12.836 924 HA2 GLY 115 1HA GLY 115 7.962 -17.666 14.460 925 HA3 GLY 115 2HA GLY 115 7.288 -16.503 13.335 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 12.326 13.552 -9.923 2 HA2 GLY 1 1HA GLY 1 13.340 11.159 -11.145 3 HA3 GLY 1 2HA GLY 1 13.812 12.610 -12.007 4 H SER 2 H SER 2 13.282 12.091 -8.457 5 HA SER 2 HA SER 2 16.087 12.820 -8.120 6 HB2 SER 2 1HB SER 2 13.767 13.456 -6.244 7 HB3 SER 2 2HB SER 2 15.440 13.909 -5.987 8 HG SER 2 HG SER 2 14.278 14.698 -8.458 9 H SER 3 H SER 3 17.059 10.828 -7.744 10 HA SER 3 HA SER 3 15.930 9.327 -5.521 11 HB2 SER 3 1HB SER 3 15.346 8.143 -7.604 12 HB3 SER 3 2HB SER 3 17.018 8.176 -8.128 13 HG SER 3 HG SER 3 15.746 6.457 -6.332 14 H GLY 4 H GLY 4 17.427 9.274 -3.889 15 HA2 GLY 4 1HA GLY 4 19.790 8.251 -3.655 16 HA3 GLY 4 2HA GLY 4 20.256 9.654 -4.597 17 H SER 5 H SER 5 21.577 10.138 -2.594 18 HA SER 5 HA SER 5 21.952 11.221 -0.749 19 HB2 SER 5 1HB SER 5 19.908 12.737 -2.154 20 HB3 SER 5 2HB SER 5 19.708 12.955 -0.427 21 HG SER 5 HG SER 5 21.651 13.972 -2.100 22 H SER 6 H SER 6 21.786 9.650 0.882 23 HA SER 6 HA SER 6 19.655 9.956 2.668 24 HB2 SER 6 1HB SER 6 18.874 7.520 2.548 25 HB3 SER 6 2HB SER 6 18.325 8.567 1.255 26 HG SER 6 HG SER 6 19.664 7.580 -0.197 27 H GLY 7 H GLY 7 20.376 9.335 4.717 28 HA2 GLY 7 1HA GLY 7 23.093 8.493 4.965 29 HA3 GLY 7 2HA GLY 7 21.941 8.789 6.252 30 H GLN 8 H GLN 8 21.492 7.026 7.488 31 HA GLN 8 HA GLN 8 21.925 4.438 6.267 32 HB2 GLN 8 1HB GLN 8 22.225 5.571 8.955 33 HB3 GLN 8 2HB GLN 8 21.313 4.075 8.997 34 HG2 GLN 8 1HG GLN 8 23.168 2.834 8.577 35 HG3 GLN 8 2HG GLN 8 23.577 3.802 7.175 36 HE21 GLN 8 1HE2 GLN 8 24.991 2.660 9.669 37 HE22 GLN 8 2HE2 GLN 8 25.982 3.962 10.239 38 H ARG 9 H ARG 9 19.525 6.006 8.516 39 HA ARG 9 HA ARG 9 17.590 4.077 7.600 40 HB2 ARG 9 1HB ARG 9 17.677 6.088 9.883 41 HB3 ARG 9 2HB ARG 9 16.163 5.332 9.429 42 HG2 ARG 9 1HG ARG 9 18.061 3.211 9.557 43 HG3 ARG 9 2HG ARG 9 18.388 4.214 10.956 44 HD2 ARG 9 1HD ARG 9 15.503 3.902 10.624 45 HD3 ARG 9 2HD ARG 9 16.271 2.327 10.638 46 HE ARG 9 HE ARG 9 16.065 4.176 12.882 47 HH11 ARG 9 2HH2 ARG 9 17.999 1.573 11.516 48 HH12 ARG 9 1HH2 ARG 9 18.661 1.092 13.043 49 HH21 ARG 9 2HH1 ARG 9 16.937 3.542 14.896 50 HH22 ARG 9 1HH1 ARG 9 18.053 2.219 14.978 51 H ARG 10 H ARG 10 15.263 4.979 7.197 52 HA ARG 10 HA ARG 10 13.886 6.238 6.106 53 HB2 ARG 10 1HB ARG 10 15.774 8.271 7.197 54 HB3 ARG 10 2HB ARG 10 14.882 8.817 5.791 55 HG2 ARG 10 1HG ARG 10 13.183 7.377 7.743 56 HG3 ARG 10 2HG ARG 10 13.934 8.809 8.419 57 HD2 ARG 10 1HD ARG 10 12.252 8.703 5.868 58 HD3 ARG 10 2HD ARG 10 11.748 9.378 7.404 59 HE ARG 10 HE ARG 10 14.222 10.550 6.324 60 HH11 ARG 10 2HH2 ARG 10 10.714 10.769 6.474 61 HH12 ARG 10 1HH2 ARG 10 10.672 12.447 6.047 62 HH21 ARG 10 2HH1 ARG 10 14.168 12.764 5.760 63 HH22 ARG 10 1HH1 ARG 10 12.651 13.589 5.637 64 H HIS 11 H HIS 11 13.466 6.825 3.886 65 HA HIS 11 HA HIS 11 13.838 6.914 1.727 66 HB2 HIS 11 1HB HIS 11 16.513 8.057 2.573 67 HB3 HIS 11 2HB HIS 11 15.961 7.996 0.911 68 HD1 HIS 11 1HD HIS 11 13.828 8.954 3.935 69 HD2 HIS 11 2HD HIS 11 15.467 10.673 0.478 70 HE1 HIS 11 1HE HIS 11 12.865 11.313 3.784 71 H ASP 12 H ASP 12 14.975 4.657 3.672 72 HA ASP 12 HA ASP 12 16.831 3.455 1.824 73 HB2 ASP 12 1HB ASP 12 17.205 3.412 4.323 74 HB3 ASP 12 2HB ASP 12 15.752 2.449 4.500 75 H MET 13 H MET 13 13.499 3.214 3.097 76 HA MET 13 HA MET 13 13.085 0.699 1.755 77 HB2 MET 13 1HB MET 13 11.005 2.428 3.184 78 HB3 MET 13 2HB MET 13 10.950 0.695 2.931 79 HG2 MET 13 1HG MET 13 13.189 1.962 4.557 80 HG3 MET 13 2HG MET 13 11.647 1.580 5.296 81 HE1 MET 13 1HE MET 13 10.851 -1.255 3.607 82 HE2 MET 13 2HE MET 13 11.307 -2.190 5.051 83 HE3 MET 13 3HE MET 13 10.520 -0.603 5.230 84 H LEU 14 H LEU 14 12.273 4.169 1.459 85 HA LEU 14 HA LEU 14 10.215 4.071 -0.334 86 HB2 LEU 14 1HB LEU 14 12.486 6.046 -0.473 87 HB3 LEU 14 2HB LEU 14 10.816 6.286 -0.946 88 HG LEU 14 HG LEU 14 12.002 6.169 1.816 89 HD11 LEU 14 1HD1 LEU 14 10.775 8.265 2.107 90 HD12 LEU 14 2HD1 LEU 14 11.866 8.340 0.702 91 HD13 LEU 14 3HD1 LEU 14 10.117 8.117 0.460 92 HD21 LEU 14 1HD2 LEU 14 9.654 6.179 2.708 93 HD22 LEU 14 2HD2 LEU 14 9.105 5.683 1.090 94 HD23 LEU 14 3HD2 LEU 14 10.196 4.629 2.021 95 H ALA 15 H ALA 15 13.755 3.729 -0.933 96 HA ALA 15 HA ALA 15 13.594 3.692 -3.717 97 HB1 ALA 15 1HB ALA 15 15.563 2.285 -1.868 98 HB2 ALA 15 2HB ALA 15 15.830 2.696 -3.579 99 HB3 ALA 15 3HB ALA 15 15.663 3.990 -2.368 100 H TRP 16 H TRP 16 13.478 1.030 -1.261 101 HA TRP 16 HA TRP 16 13.434 -1.134 -2.883 102 HB2 TRP 16 1HB TRP 16 13.421 -1.260 -0.466 103 HB3 TRP 16 2HB TRP 16 11.791 -0.618 -0.399 104 HD1 TRP 16 HD TRP 16 13.464 -3.732 -2.101 105 HE1 TRP 16 1HE TRP 16 11.896 -5.843 -1.890 106 HE3 TRP 16 3HE TRP 16 9.679 -1.333 0.302 107 HZ2 TRP 16 2HZ TRP 16 9.306 -6.264 -0.766 108 HZ3 TRP 16 3HZ TRP 16 7.667 -2.667 0.921 109 HH2 TRP 16 HH TRP 16 7.444 -5.050 0.425 110 H ILE 17 H ILE 17 10.511 0.753 -1.795 111 HA ILE 17 HA ILE 17 8.757 -0.566 -3.527 112 HB ILE 17 HB ILE 17 8.661 2.051 -2.046 113 HG12 ILE 17 1HG1 ILE 17 6.651 0.270 -1.210 114 HG13 ILE 17 2HG1 ILE 17 8.078 -0.724 -1.426 115 HG21 ILE 17 1HG2 ILE 17 6.163 1.955 -2.585 116 HG22 ILE 17 2HG2 ILE 17 7.260 2.524 -3.866 117 HG23 ILE 17 3HG2 ILE 17 6.615 0.866 -3.919 118 HD11 ILE 17 1HD1 ILE 17 7.840 0.331 0.881 119 HD12 ILE 17 2HD1 ILE 17 9.388 0.662 0.067 120 HD13 ILE 17 3HD1 ILE 17 8.120 1.911 0.109 121 H ASN 18 H ASN 18 10.144 2.790 -3.778 122 HA ASN 18 HA ASN 18 9.237 3.531 -6.123 123 HB2 ASN 18 1HB ASN 18 12.037 3.771 -4.956 124 HB3 ASN 18 2HB ASN 18 11.688 4.484 -6.519 125 HD21 ASN 18 1HD2 ASN 18 12.425 6.275 -4.890 126 HD22 ASN 18 2HD2 ASN 18 11.147 7.203 -4.179 127 H GLU 19 H GLU 19 11.947 1.205 -5.537 128 HA GLU 19 HA GLU 19 12.123 0.748 -8.392 129 HB2 GLU 19 1HB GLU 19 13.956 0.499 -6.092 130 HB3 GLU 19 2HB GLU 19 14.015 -0.895 -7.152 131 HG2 GLU 19 1HG GLU 19 13.937 1.392 -8.864 132 HG3 GLU 19 2HG GLU 19 15.079 1.780 -7.593 133 H SER 20 H SER 20 9.761 -0.170 -7.936 134 HA SER 20 HA SER 20 10.061 -2.982 -8.056 135 HB2 SER 20 1HB SER 20 8.645 -1.719 -5.678 136 HB3 SER 20 2HB SER 20 8.295 -3.354 -6.202 137 HG SER 20 HG SER 20 10.445 -3.976 -5.770 138 H LEU 21 H LEU 21 7.889 -0.123 -7.668 139 HA LEU 21 HA LEU 21 6.190 -1.298 -9.754 140 HB2 LEU 21 1HB LEU 21 5.076 0.463 -7.602 141 HB3 LEU 21 2HB LEU 21 4.242 -0.639 -8.680 142 HG LEU 21 HG LEU 21 6.181 -1.773 -6.696 143 HD11 LEU 21 1HD1 LEU 21 3.900 -1.938 -5.266 144 HD12 LEU 21 2HD1 LEU 21 5.123 -0.665 -5.039 145 HD13 LEU 21 3HD1 LEU 21 3.675 -0.343 -6.022 146 HD21 LEU 21 1HD2 LEU 21 4.113 -3.452 -6.690 147 HD22 LEU 21 2HD2 LEU 21 3.832 -2.700 -8.279 148 HD23 LEU 21 3HD2 LEU 21 5.383 -3.504 -7.937 149 H GLN 22 H GLN 22 8.496 0.942 -9.107 150 HA GLN 22 HA GLN 22 9.161 2.719 -10.173 151 HB2 GLN 22 1HB GLN 22 7.421 1.551 -12.050 152 HB3 GLN 22 2HB GLN 22 6.907 3.226 -11.988 153 HG2 GLN 22 1HG GLN 22 9.301 3.944 -12.328 154 HG3 GLN 22 2HG GLN 22 9.768 2.260 -12.460 155 HE21 GLN 22 1HE2 GLN 22 9.715 4.646 -14.324 156 HE22 GLN 22 2HE2 GLN 22 8.955 4.082 -15.774 157 H LEU 23 H LEU 23 8.326 3.371 -7.825 158 HA LEU 23 HA LEU 23 6.161 5.318 -8.067 159 HB2 LEU 23 1HB LEU 23 7.529 4.307 -5.575 160 HB3 LEU 23 2HB LEU 23 6.066 5.266 -5.669 161 HG LEU 23 HG LEU 23 5.421 3.040 -5.161 162 HD11 LEU 23 1HD1 LEU 23 4.220 4.377 -7.057 163 HD12 LEU 23 2HD1 LEU 23 4.857 3.090 -8.108 164 HD13 LEU 23 3HD1 LEU 23 3.786 2.679 -6.747 165 HD21 LEU 23 1HD2 LEU 23 6.220 1.094 -6.090 166 HD22 LEU 23 2HD2 LEU 23 6.669 1.875 -7.625 167 HD23 LEU 23 3HD2 LEU 23 7.664 2.132 -6.171 168 H ASN 24 H ASN 24 7.124 6.880 -5.757 169 HA ASN 24 HA ASN 24 9.693 7.804 -6.247 170 HB2 ASN 24 1HB ASN 24 8.297 8.653 -8.331 171 HB3 ASN 24 2HB ASN 24 7.599 9.798 -7.203 172 HD21 ASN 24 1HD2 ASN 24 10.234 9.010 -9.183 173 HD22 ASN 24 2HD2 ASN 24 11.309 10.303 -8.769 174 H LEU 25 H LEU 25 8.611 7.139 -3.888 175 HA LEU 25 HA LEU 25 7.169 9.316 -2.690 176 HB2 LEU 25 1HB LEU 25 8.369 6.869 -1.393 177 HB3 LEU 25 2HB LEU 25 7.160 7.942 -0.715 178 HG LEU 25 HG LEU 25 6.814 6.050 -3.054 179 HD11 LEU 25 1HD1 LEU 25 5.689 6.091 -0.245 180 HD12 LEU 25 2HD1 LEU 25 5.079 5.045 -1.549 181 HD13 LEU 25 3HD1 LEU 25 6.756 4.871 -0.980 182 HD21 LEU 25 1HD2 LEU 25 5.327 8.464 -2.357 183 HD22 LEU 25 2HD2 LEU 25 5.272 7.462 -3.827 184 HD23 LEU 25 3HD2 LEU 25 4.301 7.010 -2.405 185 H THR 26 H THR 26 7.944 10.681 -0.986 186 HA THR 26 HA THR 26 10.880 10.926 -1.003 187 HB THR 26 HB THR 26 10.367 13.368 -0.538 188 HG1 THR 26 1HG THR 26 8.039 13.868 -0.843 189 HG21 THR 26 1HG2 THR 26 9.990 13.900 -2.770 190 HG22 THR 26 2HG2 THR 26 10.318 12.165 -2.993 191 HG23 THR 26 3HG2 THR 26 8.639 12.750 -2.915 192 H LYS 27 H LYS 27 8.075 10.186 0.876 193 HA LYS 27 HA LYS 27 9.780 10.149 3.238 194 HB2 LYS 27 1HB LYS 27 7.037 11.444 3.189 195 HB3 LYS 27 2HB LYS 27 8.008 11.158 4.619 196 HG2 LYS 27 1HG LYS 27 9.871 12.488 3.216 197 HG3 LYS 27 2HG LYS 27 8.471 13.120 2.371 198 HD2 LYS 27 1HD LYS 27 7.662 13.365 5.009 199 HD3 LYS 27 2HD LYS 27 9.388 13.626 5.158 200 HE2 LYS 27 1HE LYS 27 9.337 15.613 3.972 201 HE3 LYS 27 2HE LYS 27 8.080 15.060 2.884 202 HZ1 LYS 27 1HZ LYS 27 6.612 16.085 4.136 203 HZ2 LYS 27 2HZ LYS 27 7.034 15.226 5.459 204 HZ3 LYS 27 3HZ LYS 27 7.788 16.635 5.125 205 H ILE 28 H ILE 28 8.781 8.760 4.994 206 HA ILE 28 HA ILE 28 7.830 6.369 3.766 207 HB ILE 28 HB ILE 28 8.577 7.225 6.538 208 HG12 ILE 28 1HG1 ILE 28 10.227 6.518 4.691 209 HG13 ILE 28 2HG1 ILE 28 10.400 5.808 6.283 210 HG21 ILE 28 1HG2 ILE 28 8.127 4.555 6.842 211 HG22 ILE 28 2HG2 ILE 28 7.017 5.843 7.370 212 HG23 ILE 28 3HG2 ILE 28 6.755 5.026 5.810 213 HD11 ILE 28 1HD1 ILE 28 10.310 4.335 3.993 214 HD12 ILE 28 2HD1 ILE 28 9.780 3.708 5.572 215 HD13 ILE 28 3HD1 ILE 28 8.582 4.341 4.418 216 H GLU 29 H GLU 29 6.412 9.189 5.327 217 HA GLU 29 HA GLU 29 4.026 7.965 6.102 218 HB2 GLU 29 1HB GLU 29 5.200 10.492 6.356 219 HB3 GLU 29 2HB GLU 29 3.800 10.809 5.351 220 HG2 GLU 29 1HG GLU 29 2.693 9.134 7.240 221 HG3 GLU 29 2HG GLU 29 3.930 9.921 8.199 222 H GLN 30 H GLN 30 5.345 8.631 3.011 223 HA GLN 30 HA GLN 30 3.061 9.397 1.634 224 HB2 GLN 30 1HB GLN 30 5.689 8.117 0.879 225 HB3 GLN 30 2HB GLN 30 4.422 8.211 -0.328 226 HG2 GLN 30 1HG GLN 30 4.818 10.742 1.173 227 HG3 GLN 30 2HG GLN 30 6.230 10.241 0.264 228 HE21 GLN 30 1HE2 GLN 30 6.085 11.860 -1.227 229 HE22 GLN 30 2HE2 GLN 30 4.864 11.949 -2.452 230 H LEU 31 H LEU 31 3.838 6.454 3.220 231 HA LEU 31 HA LEU 31 2.178 4.862 1.434 232 HB2 LEU 31 1HB LEU 31 3.447 3.794 3.915 233 HB3 LEU 31 2HB LEU 31 3.105 2.993 2.395 234 HG LEU 31 HG LEU 31 5.059 5.156 2.105 235 HD11 LEU 31 1HD1 LEU 31 5.362 4.022 4.510 236 HD12 LEU 31 2HD1 LEU 31 6.233 2.821 3.525 237 HD13 LEU 31 3HD1 LEU 31 6.735 4.529 3.497 238 HD21 LEU 31 1HD2 LEU 31 5.915 3.806 0.513 239 HD22 LEU 31 2HD2 LEU 31 5.757 2.339 1.509 240 HD23 LEU 31 3HD2 LEU 31 4.337 2.995 0.659 241 H CYS 32 H CYS 32 1.031 7.123 2.938 242 HA CYS 32 HA CYS 32 -0.466 5.776 5.026 243 HB2 CYS 32 1HB CYS 32 -1.272 7.976 5.643 244 HB3 CYS 32 2HB CYS 32 0.474 8.014 5.490 245 HG CYS 32 HG CYS 32 -1.888 9.459 3.860 246 H SER 33 H SER 33 -0.751 4.968 2.193 247 HA SER 33 HA SER 33 -3.514 5.823 1.815 248 HB2 SER 33 1HB SER 33 -3.036 5.272 -0.680 249 HB3 SER 33 2HB SER 33 -2.409 6.776 -0.036 250 HG SER 33 HG SER 33 -0.345 5.624 0.336 251 H GLY 34 H GLY 34 -1.132 3.256 0.798 252 HA2 GLY 34 1HA GLY 34 -1.368 1.003 1.479 253 HA3 GLY 34 2HA GLY 34 -3.101 1.224 1.618 254 H ALA 35 H ALA 35 -0.675 1.962 -0.995 255 HA ALA 35 HA ALA 35 -2.332 0.320 -2.784 256 HB1 ALA 35 1HB ALA 35 -0.815 2.520 -4.029 257 HB2 ALA 35 2HB ALA 35 -2.509 2.026 -4.261 258 HB3 ALA 35 3HB ALA 35 -2.066 3.073 -2.890 259 H ALA 36 H ALA 36 0.925 1.864 -2.311 260 HA ALA 36 HA ALA 36 2.408 0.522 -4.086 261 HB1 ALA 36 1HB ALA 36 3.595 2.038 -2.802 262 HB2 ALA 36 2HB ALA 36 2.881 1.469 -1.274 263 HB3 ALA 36 3HB ALA 36 4.151 0.513 -2.074 264 H TYR 37 H TYR 37 1.617 -0.717 -0.758 265 HA TYR 37 HA TYR 37 2.832 -3.156 -0.953 266 HB2 TYR 37 1HB TYR 37 0.051 -2.520 0.207 267 HB3 TYR 37 2HB TYR 37 1.154 -3.745 0.805 268 HD1 TYR 37 2HD TYR 37 3.537 -2.810 1.571 269 HD2 TYR 37 1HD TYR 37 -0.038 -0.476 1.312 270 HE1 TYR 37 2HE TYR 37 4.509 -1.127 3.210 271 HE2 TYR 37 1HE TYR 37 0.945 1.200 2.951 272 HH TYR 37 HH TYR 37 4.253 0.797 4.173 273 H CYS 38 H CYS 38 -0.669 -2.466 -1.682 274 HA CYS 38 HA CYS 38 -1.444 -4.892 -2.499 275 HB2 CYS 38 1HB CYS 38 -2.223 -2.124 -3.244 276 HB3 CYS 38 2HB CYS 38 -2.747 -3.382 -4.346 277 HG CYS 38 HG CYS 38 -3.592 -2.628 -1.339 278 H GLN 39 H GLN 39 -0.107 -2.329 -4.726 279 HA GLN 39 HA GLN 39 0.075 -3.829 -6.954 280 HB2 GLN 39 1HB GLN 39 1.034 -1.316 -6.060 281 HB3 GLN 39 2HB GLN 39 2.444 -2.140 -6.694 282 HG2 GLN 39 1HG GLN 39 0.775 -2.757 -8.702 283 HG3 GLN 39 2HG GLN 39 -0.095 -1.349 -8.125 284 HE21 GLN 39 1HE2 GLN 39 2.076 -2.339 -10.299 285 HE22 GLN 39 2HE2 GLN 39 3.023 -0.910 -10.547 286 H PHE 40 H PHE 40 2.509 -3.559 -4.287 287 HA PHE 40 HA PHE 40 4.470 -5.126 -5.449 288 HB2 PHE 40 1HB PHE 40 3.889 -3.783 -3.020 289 HB3 PHE 40 2HB PHE 40 4.026 -5.456 -2.518 290 HD1 PHE 40 2HD PHE 40 6.153 -6.467 -4.273 291 HD2 PHE 40 1HD PHE 40 5.819 -2.740 -2.272 292 HE1 PHE 40 2HE PHE 40 8.654 -6.255 -4.251 293 HE2 PHE 40 1HE PHE 40 8.320 -2.528 -2.250 294 HZ PHE 40 HZ PHE 40 9.708 -4.288 -3.240 295 H MET 41 H MET 41 1.565 -6.025 -3.518 296 HA MET 41 HA MET 41 2.274 -8.686 -3.175 297 HB2 MET 41 1HB MET 41 -0.195 -6.985 -2.999 298 HB3 MET 41 2HB MET 41 -0.497 -8.700 -3.200 299 HG2 MET 41 1HG MET 41 1.267 -7.472 -1.023 300 HG3 MET 41 2HG MET 41 -0.372 -8.045 -0.786 301 HE1 MET 41 1HE MET 41 -1.095 -9.945 -0.328 302 HE2 MET 41 2HE MET 41 -0.758 -11.221 -1.522 303 HE3 MET 41 3HE MET 41 -0.164 -11.386 0.148 304 H ASP 42 H ASP 42 0.001 -7.155 -5.572 305 HA ASP 42 HA ASP 42 -0.733 -9.348 -6.917 306 HB2 ASP 42 1HB ASP 42 -1.692 -7.279 -7.581 307 HB3 ASP 42 2HB ASP 42 -0.130 -6.514 -7.799 308 H MET 43 H MET 43 2.299 -7.404 -7.249 309 HA MET 43 HA MET 43 3.273 -8.692 -9.498 310 HB2 MET 43 1HB MET 43 4.119 -6.718 -7.563 311 HB3 MET 43 2HB MET 43 5.417 -7.888 -7.692 312 HG2 MET 43 1HG MET 43 4.241 -7.061 -10.306 313 HG3 MET 43 2HG MET 43 5.041 -5.771 -9.431 314 HE1 MET 43 1HE MET 43 7.444 -8.014 -7.871 315 HE2 MET 43 2HE MET 43 8.560 -7.002 -8.818 316 HE3 MET 43 3HE MET 43 7.121 -6.275 -8.064 317 H LEU 44 H LEU 44 3.063 -9.698 -6.141 318 HA LEU 44 HA LEU 44 5.044 -11.795 -6.581 319 HB2 LEU 44 1HB LEU 44 3.616 -10.827 -4.102 320 HB3 LEU 44 2HB LEU 44 4.701 -12.203 -4.139 321 HG LEU 44 HG LEU 44 5.557 -9.424 -4.974 322 HD11 LEU 44 1HD1 LEU 44 5.286 -8.837 -2.830 323 HD12 LEU 44 2HD1 LEU 44 5.114 -10.522 -2.283 324 HD13 LEU 44 3HD1 LEU 44 6.734 -9.830 -2.537 325 HD21 LEU 44 1HD2 LEU 44 7.726 -10.209 -5.011 326 HD22 LEU 44 2HD2 LEU 44 7.367 -11.583 -3.939 327 HD23 LEU 44 3HD2 LEU 44 6.822 -11.611 -5.633 328 H PHE 45 H PHE 45 1.640 -11.407 -5.361 329 HA PHE 45 HA PHE 45 1.135 -14.075 -6.478 330 HB2 PHE 45 1HB PHE 45 -0.149 -12.649 -4.073 331 HB3 PHE 45 2HB PHE 45 -0.483 -14.297 -4.567 332 HD1 PHE 45 2HD PHE 45 1.960 -12.086 -2.965 333 HD2 PHE 45 1HD PHE 45 1.065 -16.086 -4.065 334 HE1 PHE 45 2HE PHE 45 3.791 -12.910 -1.458 335 HE2 PHE 45 1HE PHE 45 2.895 -16.910 -2.558 336 HZ PHE 45 HZ PHE 45 4.236 -15.312 -1.273 337 HA PRO 46 HA PRO 46 -1.728 -11.599 -8.741 338 HB2 PRO 46 1HB PRO 46 -2.193 -13.404 -10.739 339 HB3 PRO 46 2HB PRO 46 -0.883 -12.241 -10.784 340 HG2 PRO 46 1HG PRO 46 -0.765 -15.146 -10.248 341 HG3 PRO 46 2HG PRO 46 0.531 -14.062 -10.713 342 HD2 PRO 46 1HD PRO 46 0.026 -15.108 -8.090 343 HD3 PRO 46 2HD PRO 46 1.250 -13.935 -8.533 344 H GLY 47 H GLY 47 -3.614 -11.229 -7.763 345 HA2 GLY 47 1HA GLY 47 -5.917 -11.928 -7.838 346 HA3 GLY 47 2HA GLY 47 -5.393 -13.585 -7.617 347 H SER 48 H SER 48 -3.213 -12.483 -5.651 348 HA SER 48 HA SER 48 -4.553 -13.093 -3.348 349 HB2 SER 48 1HB SER 48 -2.570 -12.267 -2.175 350 HB3 SER 48 2HB SER 48 -2.079 -13.118 -3.626 351 HG SER 48 HG SER 48 -1.892 -11.013 -4.700 352 H ILE 49 H ILE 49 -4.096 -9.976 -5.041 353 HA ILE 49 HA ILE 49 -5.767 -8.723 -2.973 354 HB ILE 49 HB ILE 49 -4.103 -6.962 -4.632 355 HG12 ILE 49 1HG1 ILE 49 -2.621 -8.982 -4.248 356 HG13 ILE 49 2HG1 ILE 49 -2.001 -7.442 -3.689 357 HG21 ILE 49 1HG2 ILE 49 -3.622 -6.264 -2.086 358 HG22 ILE 49 2HG2 ILE 49 -5.076 -5.759 -2.981 359 HG23 ILE 49 3HG2 ILE 49 -5.154 -7.140 -1.861 360 HD11 ILE 49 1HD1 ILE 49 -3.601 -9.145 -1.771 361 HD12 ILE 49 2HD1 ILE 49 -1.904 -9.565 -2.106 362 HD13 ILE 49 3HD1 ILE 49 -2.309 -7.971 -1.425 363 H ALA 50 H ALA 50 -6.370 -6.360 -4.390 364 HA ALA 50 HA ALA 50 -7.631 -7.352 -6.841 365 HB1 ALA 50 1HB ALA 50 -8.934 -6.683 -4.336 366 HB2 ALA 50 2HB ALA 50 -9.449 -5.561 -5.619 367 HB3 ALA 50 3HB ALA 50 -9.644 -7.317 -5.841 368 H LEU 51 H LEU 51 -5.545 -6.155 -7.527 369 HA LEU 51 HA LEU 51 -5.143 -3.481 -7.141 370 HB2 LEU 51 1HB LEU 51 -4.199 -5.546 -8.853 371 HB3 LEU 51 2HB LEU 51 -4.529 -4.143 -9.851 372 HG LEU 51 HG LEU 51 -2.650 -4.326 -7.489 373 HD11 LEU 51 1HD1 LEU 51 -0.996 -3.550 -9.222 374 HD12 LEU 51 2HD1 LEU 51 -1.650 -5.188 -9.465 375 HD13 LEU 51 3HD1 LEU 51 -2.256 -3.833 -10.447 376 HD21 LEU 51 1HD2 LEU 51 -4.116 -2.024 -8.415 377 HD22 LEU 51 2HD2 LEU 51 -2.973 -2.175 -7.059 378 HD23 LEU 51 3HD2 LEU 51 -2.372 -1.798 -8.691 379 H LYS 52 H LYS 52 -7.715 -5.099 -8.888 380 HA LYS 52 HA LYS 52 -8.415 -2.651 -10.291 381 HB2 LYS 52 1HB LYS 52 -8.945 -5.518 -10.615 382 HB3 LYS 52 2HB LYS 52 -10.379 -4.532 -10.819 383 HG2 LYS 52 1HG LYS 52 -7.804 -3.678 -12.164 384 HG3 LYS 52 2HG LYS 52 -8.744 -4.976 -12.873 385 HD2 LYS 52 1HD LYS 52 -9.494 -2.922 -13.906 386 HD3 LYS 52 2HD LYS 52 -10.775 -3.448 -12.832 387 HE2 LYS 52 1HE LYS 52 -10.192 -1.814 -11.157 388 HE3 LYS 52 2HE LYS 52 -8.640 -1.486 -11.901 389 HZ1 LYS 52 1HZ LYS 52 -9.600 0.022 -13.159 390 HZ2 LYS 52 2HZ LYS 52 -10.677 -1.047 -13.762 391 HZ3 LYS 52 3HZ LYS 52 -11.024 -0.219 -12.397 392 H LYS 53 H LYS 53 -8.410 -2.334 -7.508 393 HA LYS 53 HA LYS 53 -11.136 -1.585 -7.125 394 HB2 LYS 53 1HB LYS 53 -10.782 -4.138 -6.433 395 HB3 LYS 53 2HB LYS 53 -10.164 -3.409 -4.965 396 HG2 LYS 53 1HG LYS 53 -12.227 -2.337 -4.468 397 HG3 LYS 53 2HG LYS 53 -12.794 -2.441 -6.123 398 HD2 LYS 53 1HD LYS 53 -14.032 -4.123 -4.986 399 HD3 LYS 53 2HD LYS 53 -12.773 -5.015 -5.816 400 HE2 LYS 53 1HE LYS 53 -11.397 -4.724 -3.595 401 HE3 LYS 53 2HE LYS 53 -12.934 -4.306 -2.865 402 HZ1 LYS 53 1HZ LYS 53 -13.020 -6.655 -4.488 403 HZ2 LYS 53 2HZ LYS 53 -12.041 -6.790 -3.188 404 HZ3 LYS 53 3HZ LYS 53 -13.615 -6.403 -2.988 405 H VAL 54 H VAL 54 -7.857 -2.127 -5.720 406 HA VAL 54 HA VAL 54 -7.956 -0.363 -3.644 407 HB VAL 54 HB VAL 54 -6.110 -1.848 -4.053 408 HG11 VAL 54 1HG1 VAL 54 -4.577 -1.674 -5.857 409 HG12 VAL 54 2HG1 VAL 54 -6.200 -1.578 -6.583 410 HG13 VAL 54 3HG1 VAL 54 -5.232 -0.099 -6.365 411 HG21 VAL 54 1HG2 VAL 54 -4.261 -0.388 -3.523 412 HG22 VAL 54 2HG2 VAL 54 -5.104 1.011 -4.229 413 HG23 VAL 54 3HG2 VAL 54 -5.731 0.249 -2.747 414 H LYS 55 H LYS 55 -7.231 1.881 -3.401 415 HA LYS 55 HA LYS 55 -7.943 3.432 -5.783 416 HB2 LYS 55 1HB LYS 55 -8.293 3.863 -2.836 417 HB3 LYS 55 2HB LYS 55 -8.136 5.260 -3.881 418 HG2 LYS 55 1HG LYS 55 -10.017 3.113 -4.808 419 HG3 LYS 55 2HG LYS 55 -10.516 4.026 -3.398 420 HD2 LYS 55 1HD LYS 55 -10.296 6.148 -4.621 421 HD3 LYS 55 2HD LYS 55 -9.604 5.327 -6.005 422 HE2 LYS 55 1HE LYS 55 -12.105 4.028 -5.381 423 HE3 LYS 55 2HE LYS 55 -12.393 5.757 -5.390 424 HZ1 LYS 55 1HZ LYS 55 -12.593 4.725 -7.575 425 HZ2 LYS 55 2HZ LYS 55 -11.447 5.888 -7.556 426 HZ3 LYS 55 3HZ LYS 55 -11.013 4.313 -7.545 427 H PHE 56 H PHE 56 -6.089 3.789 -6.932 428 HA PHE 56 HA PHE 56 -3.657 4.362 -5.465 429 HB2 PHE 56 1HB PHE 56 -4.555 3.788 -8.320 430 HB3 PHE 56 2HB PHE 56 -2.999 4.562 -8.091 431 HD1 PHE 56 2HD PHE 56 -4.395 2.062 -5.765 432 HD2 PHE 56 1HD PHE 56 -1.665 2.779 -8.934 433 HE1 PHE 56 2HE PHE 56 -3.339 -0.179 -5.363 434 HE2 PHE 56 1HE PHE 56 -0.610 0.537 -8.532 435 HZ PHE 56 HZ PHE 56 -1.459 -0.915 -6.751 436 H GLN 57 H GLN 57 -5.983 6.277 -5.418 437 HA GLN 57 HA GLN 57 -4.432 8.575 -6.062 438 HB2 GLN 57 1HB GLN 57 -6.523 9.534 -7.374 439 HB3 GLN 57 2HB GLN 57 -5.315 8.581 -8.212 440 HG2 GLN 57 1HG GLN 57 -6.684 6.617 -8.212 441 HG3 GLN 57 2HG GLN 57 -7.732 7.238 -6.952 442 HE21 GLN 57 1HE2 GLN 57 -9.513 6.791 -8.288 443 HE22 GLN 57 2HE2 GLN 57 -9.977 7.837 -9.588 444 H ALA 58 H ALA 58 -5.723 7.124 -3.744 445 HA ALA 58 HA ALA 58 -7.997 8.582 -2.940 446 HB1 ALA 58 1HB ALA 58 -6.517 6.345 -2.086 447 HB2 ALA 58 2HB ALA 58 -6.398 7.517 -0.751 448 HB3 ALA 58 3HB ALA 58 -7.995 6.999 -1.341 449 H LYS 59 H LYS 59 -8.170 10.617 -2.134 450 HA LYS 59 HA LYS 59 -5.661 11.898 -1.306 451 HB2 LYS 59 1HB LYS 59 -8.181 13.096 -2.495 452 HB3 LYS 59 2HB LYS 59 -6.829 14.030 -1.887 453 HG2 LYS 59 1HG LYS 59 -6.127 11.856 -3.823 454 HG3 LYS 59 2HG LYS 59 -7.051 13.189 -4.487 455 HD2 LYS 59 1HD LYS 59 -4.489 13.540 -2.861 456 HD3 LYS 59 2HD LYS 59 -4.535 13.500 -4.612 457 HE2 LYS 59 1HE LYS 59 -6.432 15.412 -3.289 458 HE3 LYS 59 2HE LYS 59 -4.729 15.806 -3.162 459 HZ1 LYS 59 1HZ LYS 59 -6.204 15.307 -5.653 460 HZ2 LYS 59 2HZ LYS 59 -5.624 16.743 -5.136 461 HZ3 LYS 59 3HZ LYS 59 -4.592 15.557 -5.577 462 H LEU 60 H LEU 60 -8.699 10.630 -0.276 463 HA LEU 60 HA LEU 60 -8.673 12.329 2.105 464 HB2 LEU 60 1HB LEU 60 -10.820 10.354 1.412 465 HB3 LEU 60 2HB LEU 60 -10.911 11.783 2.422 466 HG LEU 60 HG LEU 60 -10.821 11.635 -0.593 467 HD11 LEU 60 1HD1 LEU 60 -12.868 13.270 -0.010 468 HD12 LEU 60 2HD1 LEU 60 -13.031 11.501 -0.122 469 HD13 LEU 60 3HD1 LEU 60 -12.859 12.280 1.470 470 HD21 LEU 60 1HD2 LEU 60 -11.100 14.322 0.069 471 HD22 LEU 60 2HD2 LEU 60 -9.783 13.745 1.118 472 HD23 LEU 60 3HD2 LEU 60 -9.671 13.538 -0.646 473 H GLU 61 H GLU 61 -9.097 11.187 4.230 474 HA GLU 61 HA GLU 61 -7.177 9.127 4.462 475 HB2 GLU 61 1HB GLU 61 -8.418 11.025 6.176 476 HB3 GLU 61 2HB GLU 61 -8.839 9.456 6.834 477 HG2 GLU 61 1HG GLU 61 -6.639 8.913 7.343 478 HG3 GLU 61 2HG GLU 61 -5.987 9.793 5.976 479 H HIS 62 H HIS 62 -10.758 9.329 5.072 480 HA HIS 62 HA HIS 62 -11.303 6.845 5.853 481 HB2 HIS 62 1HB HIS 62 -13.495 7.102 4.908 482 HB3 HIS 62 2HB HIS 62 -12.944 8.655 5.507 483 HD1 HIS 62 1HD HIS 62 -14.238 6.994 2.495 484 HD2 HIS 62 2HD HIS 62 -12.054 10.469 3.359 485 HE1 HIS 62 1HE HIS 62 -14.390 8.468 0.418 486 H GLU 63 H GLU 63 -10.264 7.850 2.593 487 HA GLU 63 HA GLU 63 -10.921 5.429 1.355 488 HB2 GLU 63 1HB GLU 63 -8.722 7.348 0.496 489 HB3 GLU 63 2HB GLU 63 -9.647 6.265 -0.524 490 HG2 GLU 63 1HG GLU 63 -11.419 8.035 1.008 491 HG3 GLU 63 2HG GLU 63 -10.258 8.962 0.079 492 H TYR 64 H TYR 64 -7.762 6.779 2.554 493 HA TYR 64 HA TYR 64 -6.037 4.843 1.967 494 HB2 TYR 64 1HB TYR 64 -6.561 6.140 4.716 495 HB3 TYR 64 2HB TYR 64 -5.023 5.448 4.239 496 HD1 TYR 64 1HD TYR 64 -5.951 6.771 1.268 497 HD2 TYR 64 2HD TYR 64 -4.919 8.120 5.194 498 HE1 TYR 64 1HE TYR 64 -5.237 9.018 0.316 499 HE2 TYR 64 2HE TYR 64 -4.208 10.362 4.229 500 HH TYR 64 HH TYR 64 -3.318 11.021 1.677 501 H ILE 65 H ILE 65 -8.471 4.681 4.637 502 HA ILE 65 HA ILE 65 -7.611 2.321 5.776 503 HB ILE 65 HB ILE 65 -10.255 3.715 5.572 504 HG12 ILE 65 1HG1 ILE 65 -9.582 3.419 8.221 505 HG13 ILE 65 2HG1 ILE 65 -8.006 3.561 7.469 506 HG21 ILE 65 1HG2 ILE 65 -10.984 1.468 5.615 507 HG22 ILE 65 2HG2 ILE 65 -9.735 1.001 6.794 508 HG23 ILE 65 3HG2 ILE 65 -11.083 2.049 7.295 509 HD11 ILE 65 1HD1 ILE 65 -9.890 5.489 6.315 510 HD12 ILE 65 2HD1 ILE 65 -9.761 5.673 8.081 511 HD13 ILE 65 3HD1 ILE 65 -8.302 5.774 7.067 512 H GLN 66 H GLN 66 -10.424 2.614 3.490 513 HA GLN 66 HA GLN 66 -10.839 0.045 3.010 514 HB2 GLN 66 1HB GLN 66 -10.898 2.399 1.090 515 HB3 GLN 66 2HB GLN 66 -11.433 0.806 0.591 516 HG2 GLN 66 1HG GLN 66 -12.779 1.039 2.975 517 HG3 GLN 66 2HG GLN 66 -12.703 2.724 2.500 518 HE21 GLN 66 1HE2 GLN 66 -14.681 3.164 1.825 519 HE22 GLN 66 2HE2 GLN 66 -15.547 2.343 0.569 520 H ASN 67 H ASN 67 -8.447 2.077 1.170 521 HA ASN 67 HA ASN 67 -7.511 0.311 -0.563 522 HB2 ASN 67 1HB ASN 67 -5.934 2.259 1.190 523 HB3 ASN 67 2HB ASN 67 -5.198 1.412 -0.156 524 HD21 ASN 67 1HD2 ASN 67 -4.794 3.221 -1.344 525 HD22 ASN 67 2HD2 ASN 67 -6.015 4.173 -2.120 526 H PHE 68 H PHE 68 -6.371 0.707 2.877 527 HA PHE 68 HA PHE 68 -4.579 -1.446 2.798 528 HB2 PHE 68 1HB PHE 68 -6.089 0.180 4.899 529 HB3 PHE 68 2HB PHE 68 -5.116 -1.181 5.421 530 HD1 PHE 68 1HD PHE 68 -2.658 -1.156 4.231 531 HD2 PHE 68 2HD PHE 68 -5.077 2.235 5.040 532 HE1 PHE 68 1HE PHE 68 -0.615 0.302 4.224 533 HE2 PHE 68 2HE PHE 68 -3.034 3.694 5.033 534 HZ PHE 68 HZ PHE 68 -0.828 2.710 4.625 535 H LYS 69 H LYS 69 -8.031 -1.147 3.817 536 HA LYS 69 HA LYS 69 -8.408 -3.530 5.044 537 HB2 LYS 69 1HB LYS 69 -10.279 -2.135 3.106 538 HB3 LYS 69 2HB LYS 69 -10.749 -3.379 4.246 539 HG2 LYS 69 1HG LYS 69 -9.521 -1.741 5.998 540 HG3 LYS 69 2HG LYS 69 -9.892 -0.537 4.779 541 HD2 LYS 69 1HD LYS 69 -12.092 -0.510 5.352 542 HD3 LYS 69 2HD LYS 69 -12.214 -2.254 5.228 543 HE2 LYS 69 1HE LYS 69 -11.285 -2.512 7.516 544 HE3 LYS 69 2HE LYS 69 -11.058 -0.779 7.643 545 HZ1 LYS 69 1HZ LYS 69 -13.184 -0.517 8.129 546 HZ2 LYS 69 2HZ LYS 69 -13.707 -1.460 6.903 547 HZ3 LYS 69 3HZ LYS 69 -13.285 -2.135 8.329 548 H ILE 70 H ILE 70 -8.311 -2.891 1.488 549 HA ILE 70 HA ILE 70 -8.885 -5.544 0.765 550 HB ILE 70 HB ILE 70 -7.549 -3.262 -0.683 551 HG12 ILE 70 1HG1 ILE 70 -10.341 -4.406 -0.961 552 HG13 ILE 70 2HG1 ILE 70 -9.945 -3.006 0.015 553 HG21 ILE 70 1HG2 ILE 70 -8.684 -5.357 -2.363 554 HG22 ILE 70 2HG2 ILE 70 -7.109 -4.533 -2.458 555 HG23 ILE 70 3HG2 ILE 70 -7.317 -5.934 -1.379 556 HD11 ILE 70 1HD1 ILE 70 -8.753 -2.212 -2.275 557 HD12 ILE 70 2HD1 ILE 70 -9.982 -3.296 -2.972 558 HD13 ILE 70 3HD1 ILE 70 -10.480 -1.920 -1.958 559 H LEU 71 H LEU 71 -5.741 -3.722 0.898 560 HA LEU 71 HA LEU 71 -4.091 -5.793 0.236 561 HB2 LEU 71 1HB LEU 71 -3.388 -3.486 0.441 562 HB3 LEU 71 2HB LEU 71 -3.646 -3.520 2.174 563 HG LEU 71 HG LEU 71 -1.240 -3.771 1.140 564 HD11 LEU 71 1HD1 LEU 71 -0.724 -4.069 3.276 565 HD12 LEU 71 2HD1 LEU 71 -2.438 -4.416 3.608 566 HD13 LEU 71 3HD1 LEU 71 -1.317 -5.747 3.232 567 HD21 LEU 71 1HD2 LEU 71 -2.082 -5.797 -0.220 568 HD22 LEU 71 2HD2 LEU 71 -0.499 -5.906 0.586 569 HD23 LEU 71 3HD2 LEU 71 -1.920 -6.699 1.306 570 H GLN 72 H GLN 72 -5.369 -4.916 3.509 571 HA GLN 72 HA GLN 72 -4.031 -6.705 4.995 572 HB2 GLN 72 1HB GLN 72 -6.125 -4.990 5.419 573 HB3 GLN 72 2HB GLN 72 -6.950 -6.526 5.595 574 HG2 GLN 72 1HG GLN 72 -4.384 -5.777 7.077 575 HG3 GLN 72 2HG GLN 72 -5.992 -5.630 7.758 576 HE21 GLN 72 1HE2 GLN 72 -3.325 -7.563 7.456 577 HE22 GLN 72 2HE2 GLN 72 -3.985 -9.105 7.891 578 H ALA 73 H ALA 73 -6.691 -7.318 2.704 579 HA ALA 73 HA ALA 73 -7.230 -9.953 3.596 580 HB1 ALA 73 1HB ALA 73 -8.623 -10.071 1.649 581 HB2 ALA 73 2HB ALA 73 -8.738 -8.400 2.252 582 HB3 ALA 73 3HB ALA 73 -7.718 -8.769 0.840 583 H GLY 74 H GLY 74 -5.000 -8.452 1.218 584 HA2 GLY 74 1HA GLY 74 -4.199 -10.665 -0.212 585 HA3 GLY 74 2HA GLY 74 -3.193 -9.282 0.169 586 H PHE 75 H PHE 75 -3.724 -9.942 3.197 587 HA PHE 75 HA PHE 75 -1.449 -11.719 3.391 588 HB2 PHE 75 1HB PHE 75 -3.088 -9.857 5.162 589 HB3 PHE 75 2HB PHE 75 -2.092 -11.068 5.945 590 HD1 PHE 75 1HD PHE 75 -0.811 -9.819 2.817 591 HD2 PHE 75 2HD PHE 75 -0.930 -9.110 7.000 592 HE1 PHE 75 1HE PHE 75 1.183 -8.307 2.618 593 HE2 PHE 75 2HE PHE 75 1.064 -7.599 6.800 594 HZ PHE 75 HZ PHE 75 2.097 -7.215 4.612 595 H LYS 76 H LYS 76 -4.656 -11.449 5.096 596 HA LYS 76 HA LYS 76 -4.605 -13.985 6.171 597 HB2 LYS 76 1HB LYS 76 -6.886 -13.643 6.692 598 HB3 LYS 76 2HB LYS 76 -6.133 -12.062 6.750 599 HG2 LYS 76 1HG LYS 76 -7.442 -11.272 5.065 600 HG3 LYS 76 2HG LYS 76 -7.080 -12.647 4.040 601 HD2 LYS 76 1HD LYS 76 -9.030 -12.887 6.364 602 HD3 LYS 76 2HD LYS 76 -9.555 -12.298 4.799 603 HE2 LYS 76 1HE LYS 76 -8.984 -14.370 3.706 604 HE3 LYS 76 2HE LYS 76 -8.034 -14.923 5.071 605 HZ1 LYS 76 1HZ LYS 76 -9.876 -15.915 5.725 606 HZ2 LYS 76 2HZ LYS 76 -10.494 -14.451 6.103 607 HZ3 LYS 76 3HZ LYS 76 -10.818 -15.124 4.651 608 H ARG 77 H ARG 77 -5.069 -12.945 2.866 609 HA ARG 77 HA ARG 77 -6.499 -15.258 2.096 610 HB2 ARG 77 1HB ARG 77 -5.153 -12.955 0.656 611 HB3 ARG 77 2HB ARG 77 -5.632 -14.362 -0.273 612 HG2 ARG 77 1HG ARG 77 -7.964 -14.095 0.882 613 HG3 ARG 77 2HG ARG 77 -7.409 -12.499 1.348 614 HD2 ARG 77 1HD ARG 77 -6.920 -12.010 -1.095 615 HD3 ARG 77 2HD ARG 77 -7.611 -13.566 -1.510 616 HE ARG 77 HE ARG 77 -9.364 -11.857 0.126 617 HH11 ARG 77 2HH2 ARG 77 -8.426 -12.814 -3.127 618 HH12 ARG 77 1HH2 ARG 77 -9.911 -12.289 -3.848 619 HH21 ARG 77 2HH1 ARG 77 -11.323 -11.164 -0.823 620 HH22 ARG 77 1HH1 ARG 77 -11.570 -11.343 -2.528 621 H MET 78 H MET 78 -3.079 -14.168 2.159 622 HA MET 78 HA MET 78 -2.242 -16.544 0.776 623 HB2 MET 78 1HB MET 78 -1.051 -13.937 1.669 624 HB3 MET 78 2HB MET 78 0.065 -15.289 1.668 625 HG2 MET 78 1HG MET 78 -1.681 -14.566 -0.733 626 HG3 MET 78 2HG MET 78 -0.047 -13.969 -0.522 627 HE1 MET 78 1HE MET 78 -0.920 -15.449 -3.008 628 HE2 MET 78 2HE MET 78 -0.612 -17.199 -3.103 629 HE3 MET 78 3HE MET 78 -2.053 -16.594 -2.252 630 H GLY 79 H GLY 79 -1.770 -14.988 4.024 631 HA2 GLY 79 1HA GLY 79 -2.131 -16.684 5.853 632 HA3 GLY 79 2HA GLY 79 -0.885 -17.615 5.047 633 H VAL 80 H VAL 80 -1.339 -14.112 5.942 634 HA VAL 80 HA VAL 80 1.379 -14.213 7.055 635 HB VAL 80 HB VAL 80 -0.184 -11.970 5.767 636 HG11 VAL 80 1HG1 VAL 80 1.235 -11.368 7.850 637 HG12 VAL 80 2HG1 VAL 80 2.637 -11.700 6.804 638 HG13 VAL 80 3HG1 VAL 80 1.475 -10.428 6.357 639 HG21 VAL 80 1HG2 VAL 80 1.934 -11.968 4.294 640 HG22 VAL 80 2HG2 VAL 80 2.244 -13.583 4.976 641 HG23 VAL 80 3HG2 VAL 80 0.752 -13.277 4.057 642 H ASP 81 H ASP 81 1.458 -14.184 9.235 643 HA ASP 81 HA ASP 81 -0.916 -13.540 10.664 644 HB2 ASP 81 1HB ASP 81 0.864 -15.356 11.219 645 HB3 ASP 81 2HB ASP 81 1.856 -14.044 11.824 646 H LYS 82 H LYS 82 -0.672 -11.195 9.608 647 HA LYS 82 HA LYS 82 0.696 -9.548 11.591 648 HB2 LYS 82 1HB LYS 82 2.333 -9.478 9.933 649 HB3 LYS 82 2HB LYS 82 1.171 -9.528 8.623 650 HG2 LYS 82 1HG LYS 82 1.958 -7.262 8.702 651 HG3 LYS 82 2HG LYS 82 0.347 -7.225 9.390 652 HD2 LYS 82 1HD LYS 82 1.144 -6.951 11.601 653 HD3 LYS 82 2HD LYS 82 2.715 -7.633 11.231 654 HE2 LYS 82 1HE LYS 82 2.945 -5.538 9.613 655 HE3 LYS 82 2HE LYS 82 1.661 -4.862 10.595 656 HZ1 LYS 82 1HZ LYS 82 3.666 -4.248 11.585 657 HZ2 LYS 82 2HZ LYS 82 3.088 -5.439 12.541 658 HZ3 LYS 82 3HZ LYS 82 4.304 -5.749 11.497 659 H ILE 83 H ILE 83 -0.750 -8.177 12.474 660 HA ILE 83 HA ILE 83 -3.225 -7.734 11.003 661 HB ILE 83 HB ILE 83 -2.460 -7.217 13.878 662 HG12 ILE 83 1HG1 ILE 83 -2.696 -9.633 13.006 663 HG13 ILE 83 2HG1 ILE 83 -3.560 -9.176 14.460 664 HG21 ILE 83 1HG2 ILE 83 -5.209 -7.197 13.738 665 HG22 ILE 83 2HG2 ILE 83 -4.157 -5.766 13.860 666 HG23 ILE 83 3HG2 ILE 83 -4.734 -6.314 12.268 667 HD11 ILE 83 1HD1 ILE 83 -4.730 -10.401 12.302 668 HD12 ILE 83 2HD1 ILE 83 -5.617 -9.395 13.472 669 HD13 ILE 83 3HD1 ILE 83 -5.061 -8.691 11.935 670 H ILE 84 H ILE 84 -2.436 -6.271 9.394 671 HA ILE 84 HA ILE 84 -0.842 -4.124 9.726 672 HB ILE 84 HB ILE 84 -3.332 -4.391 8.042 673 HG12 ILE 84 1HG1 ILE 84 -0.405 -4.957 7.500 674 HG13 ILE 84 2HG1 ILE 84 -1.712 -6.122 7.577 675 HG21 ILE 84 1HG2 ILE 84 -2.755 -2.506 6.825 676 HG22 ILE 84 2HG2 ILE 84 -2.424 -2.003 8.500 677 HG23 ILE 84 3HG2 ILE 84 -1.083 -2.490 7.436 678 HD11 ILE 84 1HD1 ILE 84 -0.993 -4.214 5.396 679 HD12 ILE 84 2HD1 ILE 84 -1.721 -5.836 5.296 680 HD13 ILE 84 3HD1 ILE 84 -2.735 -4.428 5.694 681 HA PRO 85 HA PRO 85 -2.893 -1.453 12.434 682 HB2 PRO 85 1HB PRO 85 -1.496 0.852 11.983 683 HB3 PRO 85 2HB PRO 85 -0.916 -0.432 13.025 684 HG2 PRO 85 1HG PRO 85 -0.030 0.282 10.297 685 HG3 PRO 85 2HG PRO 85 0.794 -0.689 11.500 686 HD2 PRO 85 1HD PRO 85 -0.606 -1.646 9.187 687 HD3 PRO 85 2HD PRO 85 0.119 -2.620 10.451 688 H VAL 86 H VAL 86 -2.228 0.177 9.364 689 HA VAL 86 HA VAL 86 -3.549 1.342 8.030 690 HB VAL 86 HB VAL 86 -5.780 -0.135 9.441 691 HG11 VAL 86 1HG1 VAL 86 -7.013 0.303 7.273 692 HG12 VAL 86 2HG1 VAL 86 -6.749 1.728 8.308 693 HG13 VAL 86 3HG1 VAL 86 -5.731 1.470 6.870 694 HG21 VAL 86 1HG2 VAL 86 -4.387 -1.787 8.508 695 HG22 VAL 86 2HG2 VAL 86 -5.659 -1.538 7.289 696 HG23 VAL 86 3HG2 VAL 86 -4.050 -0.813 7.057 697 H ASP 87 H ASP 87 -5.770 1.217 10.889 698 HA ASP 87 HA ASP 87 -6.562 3.749 10.843 699 HB2 ASP 87 1HB ASP 87 -6.636 1.623 12.683 700 HB3 ASP 87 2HB ASP 87 -5.897 2.921 13.600 701 H LYS 88 H LYS 88 -3.384 2.482 11.755 702 HA LYS 88 HA LYS 88 -2.585 4.978 12.996 703 HB2 LYS 88 1HB LYS 88 -0.765 2.638 12.483 704 HB3 LYS 88 2HB LYS 88 -0.694 3.839 13.757 705 HG2 LYS 88 1HG LYS 88 -2.836 2.917 14.713 706 HG3 LYS 88 2HG LYS 88 -2.843 1.686 13.466 707 HD2 LYS 88 1HD LYS 88 -1.787 0.518 15.186 708 HD3 LYS 88 2HD LYS 88 -0.388 1.170 14.355 709 HE2 LYS 88 1HE LYS 88 0.134 1.845 16.513 710 HE3 LYS 88 2HE LYS 88 -0.789 3.247 16.011 711 HZ1 LYS 88 1HZ LYS 88 -2.430 1.165 17.028 712 HZ2 LYS 88 2HZ LYS 88 -1.342 1.687 18.128 713 HZ3 LYS 88 3HZ LYS 88 -2.380 2.744 17.443 714 H LEU 89 H LEU 89 -2.080 3.047 10.011 715 HA LEU 89 HA LEU 89 -0.065 4.747 8.990 716 HB2 LEU 89 1HB LEU 89 -1.889 2.963 7.391 717 HB3 LEU 89 2HB LEU 89 -0.262 3.486 6.999 718 HG LEU 89 HG LEU 89 -0.941 1.668 9.327 719 HD11 LEU 89 1HD1 LEU 89 -1.522 0.372 7.480 720 HD12 LEU 89 2HD1 LEU 89 -0.220 1.045 6.470 721 HD13 LEU 89 3HD1 LEU 89 0.171 -0.081 7.792 722 HD21 LEU 89 1HD2 LEU 89 1.711 2.380 8.043 723 HD22 LEU 89 2HD2 LEU 89 1.133 2.898 9.645 724 HD23 LEU 89 3HD2 LEU 89 1.468 1.178 9.333 725 H VAL 90 H VAL 90 -3.625 4.436 8.363 726 HA VAL 90 HA VAL 90 -3.765 6.522 6.532 727 HB VAL 90 HB VAL 90 -6.147 6.485 7.002 728 HG11 VAL 90 1HG1 VAL 90 -5.694 3.598 7.237 729 HG12 VAL 90 2HG1 VAL 90 -6.390 4.545 5.900 730 HG13 VAL 90 3HG1 VAL 90 -4.624 4.379 6.049 731 HG21 VAL 90 1HG2 VAL 90 -5.247 5.402 9.582 732 HG22 VAL 90 2HG2 VAL 90 -6.749 6.256 9.155 733 HG23 VAL 90 3HG2 VAL 90 -6.607 4.506 8.864 734 H LYS 91 H LYS 91 -3.086 6.535 9.923 735 HA LYS 91 HA LYS 91 -4.048 9.260 10.244 736 HB2 LYS 91 1HB LYS 91 -3.157 7.068 12.071 737 HB3 LYS 91 2HB LYS 91 -2.948 8.721 12.613 738 HG2 LYS 91 1HG LYS 91 -5.445 9.052 11.846 739 HG3 LYS 91 2HG LYS 91 -5.526 7.302 11.861 740 HD2 LYS 91 1HD LYS 91 -4.276 8.467 14.295 741 HD3 LYS 91 2HD LYS 91 -5.949 8.935 14.066 742 HE2 LYS 91 1HE LYS 91 -6.496 6.451 13.719 743 HE3 LYS 91 2HE LYS 91 -4.852 6.089 14.205 744 HZ1 LYS 91 1HZ LYS 91 -6.112 5.978 16.128 745 HZ2 LYS 91 2HZ LYS 91 -5.386 7.436 16.245 746 HZ3 LYS 91 3HZ LYS 91 -6.957 7.339 15.807 747 H GLY 92 H GLY 92 -1.811 8.413 8.356 748 HA2 GLY 92 1HA GLY 92 0.351 8.942 7.894 749 HA3 GLY 92 2HA GLY 92 -0.197 10.536 8.376 750 H LYS 93 H LYS 93 0.519 7.467 10.202 751 HA LYS 93 HA LYS 93 2.048 9.095 12.083 752 HB2 LYS 93 1HB LYS 93 0.945 6.278 12.307 753 HB3 LYS 93 2HB LYS 93 1.863 7.099 13.553 754 HG2 LYS 93 1HG LYS 93 -0.123 8.970 12.870 755 HG3 LYS 93 2HG LYS 93 -0.965 7.435 12.789 756 HD2 LYS 93 1HD LYS 93 0.818 7.732 15.158 757 HD3 LYS 93 2HD LYS 93 -0.519 8.864 15.115 758 HE2 LYS 93 1HE LYS 93 -1.928 6.664 14.490 759 HE3 LYS 93 2HE LYS 93 -0.590 5.849 15.275 760 HZ1 LYS 93 1HZ LYS 93 -0.954 7.254 17.200 761 HZ2 LYS 93 2HZ LYS 93 -2.219 7.984 16.469 762 HZ3 LYS 93 3HZ LYS 93 -2.296 6.396 16.842 763 H PHE 94 H PHE 94 3.878 9.419 10.656 764 HA PHE 94 HA PHE 94 5.258 7.684 9.208 765 HB2 PHE 94 1HB PHE 94 5.973 10.004 9.592 766 HB3 PHE 94 2HB PHE 94 6.149 9.729 11.314 767 HD1 PHE 94 1HD PHE 94 7.594 8.807 8.022 768 HD2 PHE 94 2HD PHE 94 8.214 9.074 12.211 769 HE1 PHE 94 1HE PHE 94 10.033 8.309 7.693 770 HE2 PHE 94 2HE PHE 94 10.653 8.576 11.882 771 HZ PHE 94 HZ PHE 94 11.533 8.200 9.627 772 H GLN 95 H GLN 95 5.454 7.919 12.818 773 HA GLN 95 HA GLN 95 7.447 6.052 13.128 774 HB2 GLN 95 1HB GLN 95 6.175 5.735 15.451 775 HB3 GLN 95 2HB GLN 95 7.032 7.219 15.083 776 HG2 GLN 95 1HG GLN 95 5.098 8.455 14.899 777 HG3 GLN 95 2HG GLN 95 4.223 7.164 14.099 778 HE21 GLN 95 1HE2 GLN 95 2.659 8.251 15.701 779 HE22 GLN 95 2HE2 GLN 95 2.475 7.480 17.241 780 H ASP 96 H ASP 96 3.850 5.658 13.033 781 HA ASP 96 HA ASP 96 4.132 2.831 13.329 782 HB2 ASP 96 1HB ASP 96 2.014 4.820 13.504 783 HB3 ASP 96 2HB ASP 96 1.501 3.532 12.432 784 H ASN 97 H ASN 97 4.828 4.886 10.860 785 HA ASN 97 HA ASN 97 3.510 3.291 8.822 786 HB2 ASN 97 1HB ASN 97 4.076 6.092 9.079 787 HB3 ASN 97 2HB ASN 97 5.099 5.512 7.780 788 HD21 ASN 97 1HD2 ASN 97 1.954 6.339 8.784 789 HD22 ASN 97 2HD2 ASN 97 1.081 5.957 7.337 790 H PHE 98 H PHE 98 6.618 4.293 10.254 791 HA PHE 98 HA PHE 98 8.138 3.037 8.133 792 HB2 PHE 98 1HB PHE 98 8.710 5.237 9.374 793 HB3 PHE 98 2HB PHE 98 8.952 4.285 10.825 794 HD1 PHE 98 2HD PHE 98 10.593 2.156 10.357 795 HD2 PHE 98 1HD PHE 98 10.620 5.840 8.251 796 HE1 PHE 98 2HE PHE 98 12.984 1.764 9.703 797 HE2 PHE 98 1HE PHE 98 13.012 5.448 7.597 798 HZ PHE 98 HZ PHE 98 14.165 3.415 8.331 799 H GLU 99 H GLU 99 7.176 2.518 11.549 800 HA GLU 99 HA GLU 99 8.930 0.323 11.868 801 HB2 GLU 99 1HB GLU 99 6.503 1.186 13.503 802 HB3 GLU 99 2HB GLU 99 7.668 -0.023 14.004 803 HG2 GLU 99 1HG GLU 99 8.574 2.773 13.231 804 HG3 GLU 99 2HG GLU 99 7.975 2.443 14.844 805 H PHE 100 H PHE 100 6.120 0.750 10.052 806 HA PHE 100 HA PHE 100 5.238 -2.006 10.472 807 HB2 PHE 100 1HB PHE 100 3.407 -0.444 10.558 808 HB3 PHE 100 2HB PHE 100 4.118 0.590 9.334 809 HD1 PHE 100 1HD PHE 100 3.947 -0.018 6.946 810 HD2 PHE 100 2HD PHE 100 2.010 -2.300 9.954 811 HE1 PHE 100 1HE PHE 100 2.494 -1.086 5.200 812 HE2 PHE 100 2HE PHE 100 0.557 -3.368 8.208 813 HZ PHE 100 HZ PHE 100 0.816 -2.748 5.852 814 H VAL 101 H VAL 101 6.503 0.310 8.036 815 HA VAL 101 HA VAL 101 6.243 -1.539 5.882 816 HB VAL 101 HB VAL 101 6.159 0.871 5.570 817 HG11 VAL 101 1HG1 VAL 101 8.131 1.076 7.413 818 HG12 VAL 101 2HG1 VAL 101 9.084 1.255 5.920 819 HG13 VAL 101 3HG1 VAL 101 7.729 2.362 6.249 820 HG21 VAL 101 1HG2 VAL 101 7.906 1.045 3.732 821 HG22 VAL 101 2HG2 VAL 101 8.466 -0.568 4.234 822 HG23 VAL 101 3HG2 VAL 101 6.805 -0.350 3.634 823 H GLN 102 H GLN 102 8.809 -0.552 8.195 824 HA GLN 102 HA GLN 102 10.922 -1.770 6.958 825 HB2 GLN 102 1HB GLN 102 12.034 -1.665 9.106 826 HB3 GLN 102 2HB GLN 102 11.010 -0.250 8.966 827 HG2 GLN 102 1HG GLN 102 9.447 -1.044 10.535 828 HG3 GLN 102 2HG GLN 102 9.848 -2.725 10.247 829 HE21 GLN 102 1HE2 GLN 102 11.348 0.308 11.353 830 HE22 GLN 102 2HE2 GLN 102 12.290 -0.367 12.641 831 H TRP 103 H TRP 103 8.172 -3.162 8.668 832 HA TRP 103 HA TRP 103 9.471 -5.711 9.046 833 HB2 TRP 103 1HB TRP 103 7.973 -5.092 10.751 834 HB3 TRP 103 2HB TRP 103 6.723 -4.624 9.615 835 HD1 TRP 103 HD TRP 103 8.087 -7.696 11.417 836 HE1 TRP 103 1HE TRP 103 6.567 -9.818 11.029 837 HE3 TRP 103 3HE TRP 103 5.192 -5.610 7.794 838 HZ2 TRP 103 2HZ TRP 103 4.374 -10.373 9.290 839 HZ3 TRP 103 3HZ TRP 103 3.384 -7.010 6.803 840 HH2 TRP 103 HH TRP 103 2.953 -9.314 7.495 841 H PHE 104 H PHE 104 6.795 -4.264 7.058 842 HA PHE 104 HA PHE 104 6.021 -6.416 5.634 843 HB2 PHE 104 1HB PHE 104 6.144 -3.487 5.400 844 HB3 PHE 104 2HB PHE 104 6.359 -4.199 3.813 845 HD1 PHE 104 2HD PHE 104 4.100 -4.311 6.770 846 HD2 PHE 104 1HD PHE 104 4.499 -4.862 2.582 847 HE1 PHE 104 2HE PHE 104 1.617 -4.623 6.575 848 HE2 PHE 104 1HE PHE 104 2.016 -5.174 2.386 849 HZ PHE 104 HZ PHE 104 0.605 -5.051 4.385 850 H LYS 105 H LYS 105 8.734 -4.176 4.702 851 HA LYS 105 HA LYS 105 9.501 -5.516 2.428 852 HB2 LYS 105 1HB LYS 105 10.253 -3.253 3.233 853 HB3 LYS 105 2HB LYS 105 11.332 -4.059 4.353 854 HG2 LYS 105 1HG LYS 105 11.622 -5.196 1.673 855 HG3 LYS 105 2HG LYS 105 11.830 -3.457 1.619 856 HD2 LYS 105 1HD LYS 105 13.311 -4.025 3.851 857 HD3 LYS 105 2HD LYS 105 13.509 -5.532 2.979 858 HE2 LYS 105 1HE LYS 105 14.253 -4.239 0.950 859 HE3 LYS 105 2HE LYS 105 14.098 -2.749 1.859 860 HZ1 LYS 105 1HZ LYS 105 15.625 -4.561 3.329 861 HZ2 LYS 105 2HZ LYS 105 16.243 -4.470 1.820 862 HZ3 LYS 105 3HZ LYS 105 16.074 -3.115 2.716 863 H LYS 106 H LYS 106 10.786 -5.924 5.803 864 HA LYS 106 HA LYS 106 12.598 -7.875 5.353 865 HB2 LYS 106 1HB LYS 106 10.710 -7.412 7.665 866 HB3 LYS 106 2HB LYS 106 11.913 -8.686 7.699 867 HG2 LYS 106 1HG LYS 106 12.559 -5.752 7.144 868 HG3 LYS 106 2HG LYS 106 12.685 -6.497 8.726 869 HD2 LYS 106 1HD LYS 106 14.806 -7.083 8.163 870 HD3 LYS 106 2HD LYS 106 14.103 -8.272 7.085 871 HE2 LYS 106 1HE LYS 106 14.857 -7.141 5.268 872 HE3 LYS 106 2HE LYS 106 14.009 -5.692 5.772 873 HZ1 LYS 106 1HZ LYS 106 16.346 -6.205 7.311 874 HZ2 LYS 106 2HZ LYS 106 16.672 -5.991 5.726 875 HZ3 LYS 106 3HZ LYS 106 15.877 -4.833 6.559 876 H PHE 107 H PHE 107 9.131 -8.532 6.242 877 HA PHE 107 HA PHE 107 9.184 -11.226 5.846 878 HB2 PHE 107 1HB PHE 107 7.350 -9.381 6.575 879 HB3 PHE 107 2HB PHE 107 6.876 -9.473 4.891 880 HD1 PHE 107 2HD PHE 107 5.854 -11.499 3.994 881 HD2 PHE 107 1HD PHE 107 6.959 -11.242 8.083 882 HE1 PHE 107 2HE PHE 107 4.447 -13.514 4.500 883 HE2 PHE 107 1HE PHE 107 5.552 -13.258 8.589 884 HZ PHE 107 HZ PHE 107 4.312 -14.370 6.792 885 H PHE 108 H PHE 108 8.271 -8.689 3.404 886 HA PHE 108 HA PHE 108 7.707 -10.315 1.307 887 HB2 PHE 108 1HB PHE 108 8.770 -7.563 1.823 888 HB3 PHE 108 2HB PHE 108 9.160 -8.157 0.220 889 HD1 PHE 108 2HD PHE 108 6.170 -8.158 2.473 890 HD2 PHE 108 1HD PHE 108 7.702 -7.516 -1.432 891 HE1 PHE 108 2HE PHE 108 3.877 -7.517 1.678 892 HE2 PHE 108 1HE PHE 108 5.409 -6.875 -2.226 893 HZ PHE 108 HZ PHE 108 3.524 -6.883 -0.662 894 H ASP 109 H ASP 109 10.971 -8.977 2.185 895 HA ASP 109 HA ASP 109 12.394 -9.972 0.142 896 HB2 ASP 109 1HB ASP 109 13.434 -8.590 1.837 897 HB3 ASP 109 2HB ASP 109 13.075 -9.749 3.101 898 H SER 110 H SER 110 11.514 -11.609 3.268 899 HA SER 110 HA SER 110 11.464 -13.687 3.890 900 HB2 SER 110 1HB SER 110 9.843 -14.070 2.149 901 HB3 SER 110 2HB SER 110 11.077 -14.117 0.905 902 HG SER 110 HG SER 110 11.806 -16.127 1.660 903 H GLY 111 H GLY 111 13.530 -13.991 4.782 904 HA2 GLY 111 1HA GLY 111 15.439 -15.423 3.060 905 HA3 GLY 111 2HA GLY 111 15.969 -14.007 3.946 906 HA PRO 112 HA PRO 112 16.644 -16.657 7.323 907 HB2 PRO 112 1HB PRO 112 17.092 -14.811 9.287 908 HB3 PRO 112 2HB PRO 112 18.318 -15.302 8.136 909 HG2 PRO 112 1HG PRO 112 16.762 -12.791 8.226 910 HG3 PRO 112 2HG PRO 112 18.255 -13.127 7.372 911 HD2 PRO 112 1HD PRO 112 15.625 -12.970 6.236 912 HD3 PRO 112 2HD PRO 112 17.101 -13.420 5.405 913 H SER 113 H SER 113 14.088 -16.823 6.686 914 HA SER 113 HA SER 113 12.961 -17.278 9.195 915 HB2 SER 113 1HB SER 113 12.576 -14.899 9.343 916 HB3 SER 113 2HB SER 113 11.999 -14.816 7.690 917 HG SER 113 HG SER 113 10.376 -14.873 9.576 918 H SER 114 H SER 114 11.404 -18.880 8.931 919 HA SER 114 HA SER 114 11.075 -20.015 6.455 920 HB2 SER 114 1HB SER 114 10.158 -20.464 9.169 921 HB3 SER 114 2HB SER 114 8.819 -20.724 8.069 922 HG SER 114 HG SER 114 10.169 -22.647 8.465 923 H GLY 115 H GLY 115 10.017 -19.168 4.700 924 HA2 GLY 115 1HA GLY 115 7.450 -17.788 5.201 925 HA3 GLY 115 2HA GLY 115 8.660 -17.130 4.118 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 20.370 0.063 -17.688 2 HA2 GLY 1 1HA GLY 1 22.239 -1.007 -18.355 3 HA3 GLY 1 2HA GLY 1 22.997 0.543 -18.663 4 H SER 2 H SER 2 23.505 1.853 -16.491 5 HA SER 2 HA SER 2 25.052 0.000 -14.923 6 HB2 SER 2 1HB SER 2 24.976 3.050 -14.947 7 HB3 SER 2 2HB SER 2 26.090 2.092 -13.992 8 HG SER 2 HG SER 2 25.894 2.118 -16.883 9 H SER 3 H SER 3 25.123 0.330 -12.467 10 HA SER 3 HA SER 3 22.433 1.000 -11.555 11 HB2 SER 3 1HB SER 3 23.468 -1.464 -11.422 12 HB3 SER 3 2HB SER 3 24.248 -0.829 -9.986 13 HG SER 3 HG SER 3 21.553 -0.149 -10.074 14 H GLY 4 H GLY 4 22.248 2.154 -9.519 15 HA2 GLY 4 1HA GLY 4 24.773 3.454 -8.687 16 HA3 GLY 4 2HA GLY 4 23.212 4.249 -8.739 17 H SER 5 H SER 5 24.301 4.528 -6.359 18 HA SER 5 HA SER 5 23.135 2.385 -4.759 19 HB2 SER 5 1HB SER 5 25.711 3.873 -4.536 20 HB3 SER 5 2HB SER 5 24.857 3.639 -3.024 21 HG SER 5 HG SER 5 24.999 1.356 -4.682 22 H SER 6 H SER 6 22.156 3.104 -2.660 23 HA SER 6 HA SER 6 21.205 5.850 -2.917 24 HB2 SER 6 1HB SER 6 19.565 3.820 -3.134 25 HB3 SER 6 2HB SER 6 19.754 3.657 -1.400 26 HG SER 6 HG SER 6 18.078 5.282 -2.668 27 H GLY 7 H GLY 7 21.757 3.201 -0.474 28 HA2 GLY 7 1HA GLY 7 22.537 3.255 1.631 29 HA3 GLY 7 2HA GLY 7 23.513 4.625 1.137 30 H GLN 8 H GLN 8 22.919 4.987 3.618 31 HA GLN 8 HA GLN 8 21.965 6.276 5.080 32 HB2 GLN 8 1HB GLN 8 20.817 7.620 2.604 33 HB3 GLN 8 2HB GLN 8 20.513 8.230 4.218 34 HG2 GLN 8 1HG GLN 8 22.704 8.938 4.525 35 HG3 GLN 8 2HG GLN 8 23.377 7.642 3.557 36 HE21 GLN 8 1HE2 GLN 8 23.082 10.833 3.694 37 HE22 GLN 8 2HE2 GLN 8 23.050 11.279 2.020 38 H ARG 9 H ARG 9 20.398 5.656 6.511 39 HA ARG 9 HA ARG 9 18.512 3.843 5.907 40 HB2 ARG 9 1HB ARG 9 19.209 5.502 8.166 41 HB3 ARG 9 2HB ARG 9 17.463 5.527 8.019 42 HG2 ARG 9 1HG ARG 9 18.956 2.891 7.837 43 HG3 ARG 9 2HG ARG 9 18.625 3.601 9.405 44 HD2 ARG 9 1HD ARG 9 16.146 3.836 8.224 45 HD3 ARG 9 2HD ARG 9 16.733 2.383 7.438 46 HE ARG 9 HE ARG 9 16.123 2.707 10.304 47 HH11 ARG 9 2HH2 ARG 9 17.688 0.734 7.847 48 HH12 ARG 9 1HH2 ARG 9 17.688 -0.701 8.817 49 HH21 ARG 9 2HH1 ARG 9 16.123 0.814 11.585 50 HH22 ARG 9 1HH1 ARG 9 16.792 -0.655 10.957 51 H ARG 10 H ARG 10 15.966 4.289 6.381 52 HA ARG 10 HA ARG 10 14.095 5.230 5.812 53 HB2 ARG 10 1HB ARG 10 15.843 7.534 5.968 54 HB3 ARG 10 2HB ARG 10 14.796 7.748 4.579 55 HG2 ARG 10 1HG ARG 10 13.294 6.711 6.878 56 HG3 ARG 10 2HG ARG 10 14.126 8.196 7.291 57 HD2 ARG 10 1HD ARG 10 12.218 7.794 4.937 58 HD3 ARG 10 2HD ARG 10 11.889 8.716 6.391 59 HE ARG 10 HE ARG 10 13.567 9.552 4.125 60 HH11 ARG 10 2HH2 ARG 10 12.740 10.116 7.499 61 HH12 ARG 10 1HH2 ARG 10 13.321 11.748 7.501 62 HH21 ARG 10 2HH1 ARG 10 14.333 11.705 4.128 63 HH22 ARG 10 1HH1 ARG 10 14.233 12.658 5.571 64 H HIS 11 H HIS 11 16.270 6.865 3.395 65 HA HIS 11 HA HIS 11 14.717 6.443 1.214 66 HB2 HIS 11 1HB HIS 11 17.554 7.038 1.733 67 HB3 HIS 11 2HB HIS 11 17.263 6.286 0.177 68 HD1 HIS 11 1HD HIS 11 17.409 8.208 -1.435 69 HD2 HIS 11 2HD HIS 11 14.990 9.083 1.878 70 HE1 HIS 11 1HE HIS 11 16.363 10.489 -1.897 71 H ASP 12 H ASP 12 16.590 4.106 3.038 72 HA ASP 12 HA ASP 12 17.140 2.245 1.139 73 HB2 ASP 12 1HB ASP 12 17.633 2.286 3.698 74 HB3 ASP 12 2HB ASP 12 16.056 1.547 3.898 75 H MET 13 H MET 13 14.115 2.852 3.038 76 HA MET 13 HA MET 13 12.775 0.640 1.864 77 HB2 MET 13 1HB MET 13 11.585 3.044 3.349 78 HB3 MET 13 2HB MET 13 10.861 1.457 3.188 79 HG2 MET 13 1HG MET 13 13.360 2.189 4.778 80 HG3 MET 13 2HG MET 13 11.838 1.594 5.411 81 HE1 MET 13 1HE MET 13 10.740 -0.392 4.575 82 HE2 MET 13 2HE MET 13 11.364 -1.140 3.086 83 HE3 MET 13 3HE MET 13 11.577 -1.961 4.651 84 H LEU 14 H LEU 14 12.526 4.256 1.597 85 HA LEU 14 HA LEU 14 10.487 4.424 -0.193 86 HB2 LEU 14 1HB LEU 14 12.908 6.168 -0.466 87 HB3 LEU 14 2HB LEU 14 11.214 6.582 -0.645 88 HG LEU 14 HG LEU 14 12.781 6.148 1.895 89 HD11 LEU 14 1HD1 LEU 14 11.644 8.395 2.402 90 HD12 LEU 14 2HD1 LEU 14 12.958 8.373 1.202 91 HD13 LEU 14 3HD1 LEU 14 11.263 8.443 0.664 92 HD21 LEU 14 1HD2 LEU 14 11.020 5.311 2.948 93 HD22 LEU 14 2HD2 LEU 14 10.111 6.793 2.567 94 HD23 LEU 14 3HD2 LEU 14 10.045 5.401 1.461 95 H ALA 15 H ALA 15 13.945 3.642 -0.814 96 HA ALA 15 HA ALA 15 13.709 3.671 -3.619 97 HB1 ALA 15 1HB ALA 15 15.816 3.812 -2.196 98 HB2 ALA 15 2HB ALA 15 15.657 2.059 -1.931 99 HB3 ALA 15 3HB ALA 15 15.899 2.692 -3.577 100 H TRP 16 H TRP 16 13.334 1.122 -1.093 101 HA TRP 16 HA TRP 16 13.204 -1.114 -2.604 102 HB2 TRP 16 1HB TRP 16 13.000 -0.962 -0.138 103 HB3 TRP 16 2HB TRP 16 11.345 -0.417 -0.324 104 HD1 TRP 16 HD TRP 16 13.310 -3.519 -1.712 105 HE1 TRP 16 1HE TRP 16 11.859 -5.708 -1.457 106 HE3 TRP 16 3HE TRP 16 9.288 -1.236 0.402 107 HZ2 TRP 16 2HZ TRP 16 9.250 -6.228 -0.424 108 HZ3 TRP 16 3HZ TRP 16 7.330 -2.657 1.003 109 HH2 TRP 16 HH TRP 16 7.268 -5.071 0.622 110 H ILE 17 H ILE 17 10.174 0.616 -1.584 111 HA ILE 17 HA ILE 17 8.548 -0.520 -3.470 112 HB ILE 17 HB ILE 17 8.447 2.111 -2.016 113 HG12 ILE 17 1HG1 ILE 17 6.337 0.424 -1.271 114 HG13 ILE 17 2HG1 ILE 17 7.717 -0.644 -1.431 115 HG21 ILE 17 1HG2 ILE 17 6.022 2.175 -2.698 116 HG22 ILE 17 2HG2 ILE 17 7.194 2.553 -3.983 117 HG23 ILE 17 3HG2 ILE 17 6.414 0.954 -3.932 118 HD11 ILE 17 1HD1 ILE 17 9.053 0.754 0.082 119 HD12 ILE 17 2HD1 ILE 17 7.750 1.965 0.156 120 HD13 ILE 17 3HD1 ILE 17 7.507 0.351 0.867 121 H ASN 18 H ASN 18 10.152 2.739 -3.671 122 HA ASN 18 HA ASN 18 9.376 3.542 -6.048 123 HB2 ASN 18 1HB ASN 18 12.182 3.562 -4.847 124 HB3 ASN 18 2HB ASN 18 11.849 4.378 -6.361 125 HD21 ASN 18 1HD2 ASN 18 12.745 5.924 -4.462 126 HD22 ASN 18 2HD2 ASN 18 11.523 6.921 -3.744 127 H GLU 19 H GLU 19 11.947 1.075 -5.377 128 HA GLU 19 HA GLU 19 12.142 0.571 -8.222 129 HB2 GLU 19 1HB GLU 19 13.929 0.271 -5.894 130 HB3 GLU 19 2HB GLU 19 13.935 -1.143 -6.930 131 HG2 GLU 19 1HG GLU 19 13.991 1.108 -8.686 132 HG3 GLU 19 2HG GLU 19 15.126 1.476 -7.402 133 H SER 20 H SER 20 9.732 -0.227 -7.786 134 HA SER 20 HA SER 20 9.915 -3.062 -7.826 135 HB2 SER 20 1HB SER 20 8.186 -1.759 -5.675 136 HB3 SER 20 2HB SER 20 8.280 -3.475 -6.018 137 HG SER 20 HG SER 20 10.496 -3.476 -5.356 138 H LEU 21 H LEU 21 7.807 -0.128 -7.582 139 HA LEU 21 HA LEU 21 6.190 -1.280 -9.745 140 HB2 LEU 21 1HB LEU 21 5.025 0.550 -7.679 141 HB3 LEU 21 2HB LEU 21 4.211 -0.543 -8.781 142 HG LEU 21 HG LEU 21 6.013 -1.713 -6.694 143 HD11 LEU 21 1HD1 LEU 21 4.874 -0.289 -5.246 144 HD12 LEU 21 2HD1 LEU 21 3.354 -0.403 -6.165 145 HD13 LEU 21 3HD1 LEU 21 3.913 -1.787 -5.195 146 HD21 LEU 21 1HD2 LEU 21 3.646 -2.569 -8.311 147 HD22 LEU 21 2HD2 LEU 21 5.190 -3.400 -8.007 148 HD23 LEU 21 3HD2 LEU 21 3.944 -3.344 -6.737 149 H GLN 22 H GLN 22 8.495 0.950 -8.942 150 HA GLN 22 HA GLN 22 9.284 2.654 -10.057 151 HB2 GLN 22 1HB GLN 22 7.441 1.591 -11.949 152 HB3 GLN 22 2HB GLN 22 7.161 3.321 -11.935 153 HG2 GLN 22 1HG GLN 22 9.876 3.354 -11.954 154 HG3 GLN 22 2HG GLN 22 9.631 1.800 -12.726 155 HE21 GLN 22 1HE2 GLN 22 9.556 1.851 -14.827 156 HE22 GLN 22 2HE2 GLN 22 8.979 3.137 -15.834 157 H LEU 23 H LEU 23 8.623 3.504 -7.807 158 HA LEU 23 HA LEU 23 6.515 5.526 -8.093 159 HB2 LEU 23 1HB LEU 23 7.673 4.377 -5.553 160 HB3 LEU 23 2HB LEU 23 6.313 5.474 -5.694 161 HG LEU 23 HG LEU 23 5.482 3.277 -5.238 162 HD11 LEU 23 1HD1 LEU 23 3.877 3.033 -6.945 163 HD12 LEU 23 2HD1 LEU 23 4.305 4.761 -6.936 164 HD13 LEU 23 3HD1 LEU 23 4.974 3.685 -8.187 165 HD21 LEU 23 1HD2 LEU 23 6.247 1.338 -6.080 166 HD22 LEU 23 2HD2 LEU 23 6.413 1.991 -7.727 167 HD23 LEU 23 3HD2 LEU 23 7.675 2.310 -6.513 168 H ASN 24 H ASN 24 7.482 6.993 -5.721 169 HA ASN 24 HA ASN 24 10.131 7.712 -6.039 170 HB2 ASN 24 1HB ASN 24 8.959 8.642 -8.231 171 HB3 ASN 24 2HB ASN 24 8.297 9.866 -7.165 172 HD21 ASN 24 1HD2 ASN 24 9.527 11.497 -6.438 173 HD22 ASN 24 2HD2 ASN 24 11.192 11.755 -6.840 174 H LEU 25 H LEU 25 8.725 7.160 -3.787 175 HA LEU 25 HA LEU 25 7.481 9.531 -2.725 176 HB2 LEU 25 1HB LEU 25 8.145 6.987 -1.257 177 HB3 LEU 25 2HB LEU 25 6.943 8.194 -0.848 178 HG LEU 25 HG LEU 25 6.847 6.296 -3.208 179 HD11 LEU 25 1HD1 LEU 25 5.327 6.385 -0.593 180 HD12 LEU 25 2HD1 LEU 25 4.832 5.408 -1.996 181 HD13 LEU 25 3HD1 LEU 25 6.394 5.096 -1.201 182 HD21 LEU 25 1HD2 LEU 25 4.385 7.276 -3.195 183 HD22 LEU 25 2HD2 LEU 25 5.213 8.695 -2.510 184 HD23 LEU 25 3HD2 LEU 25 5.704 8.059 -4.098 185 H THR 26 H THR 26 8.269 10.784 -0.957 186 HA THR 26 HA THR 26 11.185 10.537 -0.607 187 HB THR 26 HB THR 26 11.060 13.033 -0.238 188 HG1 THR 26 1HG THR 26 8.910 13.358 0.387 189 HG21 THR 26 1HG2 THR 26 10.617 13.695 -2.530 190 HG22 THR 26 2HG2 THR 26 11.319 12.062 -2.619 191 HG23 THR 26 3HG2 THR 26 9.562 12.287 -2.797 192 H LYS 27 H LYS 27 8.056 10.430 0.913 193 HA LYS 27 HA LYS 27 9.440 10.281 3.495 194 HB2 LYS 27 1HB LYS 27 6.821 11.692 2.910 195 HB3 LYS 27 2HB LYS 27 7.415 11.338 4.519 196 HG2 LYS 27 1HG LYS 27 9.631 12.537 3.309 197 HG3 LYS 27 2HG LYS 27 8.292 13.422 2.607 198 HD2 LYS 27 1HD LYS 27 7.991 12.980 5.523 199 HD3 LYS 27 2HD LYS 27 9.420 13.908 5.112 200 HE2 LYS 27 1HE LYS 27 8.202 15.710 4.321 201 HE3 LYS 27 2HE LYS 27 6.931 14.703 3.658 202 HZ1 LYS 27 1HZ LYS 27 6.986 14.482 6.455 203 HZ2 LYS 27 2HZ LYS 27 6.883 16.056 6.030 204 HZ3 LYS 27 3HZ LYS 27 5.770 14.990 5.490 205 H ILE 28 H ILE 28 8.946 8.496 4.714 206 HA ILE 28 HA ILE 28 7.764 6.320 3.504 207 HB ILE 28 HB ILE 28 8.530 7.052 6.292 208 HG12 ILE 28 1HG1 ILE 28 10.140 6.270 4.490 209 HG13 ILE 28 2HG1 ILE 28 10.196 5.417 6.020 210 HG21 ILE 28 1HG2 ILE 28 7.888 4.459 6.652 211 HG22 ILE 28 2HG2 ILE 28 6.819 5.814 7.089 212 HG23 ILE 28 3HG2 ILE 28 6.578 4.949 5.552 213 HD11 ILE 28 1HD1 ILE 28 10.094 3.574 4.641 214 HD12 ILE 28 2HD1 ILE 28 8.345 3.879 4.753 215 HD13 ILE 28 3HD1 ILE 28 9.261 4.462 3.343 216 H GLU 29 H GLU 29 6.340 9.052 5.240 217 HA GLU 29 HA GLU 29 3.933 7.845 5.898 218 HB2 GLU 29 1HB GLU 29 5.118 10.390 6.158 219 HB3 GLU 29 2HB GLU 29 3.672 10.686 5.213 220 HG2 GLU 29 1HG GLU 29 2.505 9.126 7.023 221 HG3 GLU 29 2HG GLU 29 3.906 9.519 7.999 222 H GLN 30 H GLN 30 5.298 8.549 2.838 223 HA GLN 30 HA GLN 30 3.061 9.369 1.432 224 HB2 GLN 30 1HB GLN 30 5.635 7.963 0.682 225 HB3 GLN 30 2HB GLN 30 4.393 8.202 -0.531 226 HG2 GLN 30 1HG GLN 30 5.233 10.552 1.181 227 HG3 GLN 30 2HG GLN 30 6.278 10.046 -0.131 228 HE21 GLN 30 1HE2 GLN 30 5.829 12.133 -1.024 229 HE22 GLN 30 2HE2 GLN 30 4.398 12.413 -1.958 230 H LEU 31 H LEU 31 3.764 6.372 2.980 231 HA LEU 31 HA LEU 31 2.039 4.866 1.179 232 HB2 LEU 31 1HB LEU 31 3.307 3.709 3.621 233 HB3 LEU 31 2HB LEU 31 2.923 2.951 2.088 234 HG LEU 31 HG LEU 31 4.950 5.073 1.869 235 HD11 LEU 31 1HD1 LEU 31 6.155 2.649 3.025 236 HD12 LEU 31 2HD1 LEU 31 6.548 4.368 3.273 237 HD13 LEU 31 3HD1 LEU 31 5.203 3.624 4.170 238 HD21 LEU 31 1HD2 LEU 31 5.345 2.213 1.071 239 HD22 LEU 31 2HD2 LEU 31 4.147 3.204 0.205 240 HD23 LEU 31 3HD2 LEU 31 5.852 3.712 0.256 241 H CYS 32 H CYS 32 1.125 7.160 2.942 242 HA CYS 32 HA CYS 32 -0.278 6.005 5.099 243 HB2 CYS 32 1HB CYS 32 -1.479 8.208 5.143 244 HB3 CYS 32 2HB CYS 32 0.267 8.326 5.232 245 HG CYS 32 HG CYS 32 -1.863 9.343 3.079 246 H SER 33 H SER 33 -0.753 6.285 1.628 247 HA SER 33 HA SER 33 -3.559 6.101 1.680 248 HB2 SER 33 1HB SER 33 -3.172 5.397 -0.786 249 HB3 SER 33 2HB SER 33 -2.655 7.002 -0.307 250 HG SER 33 HG SER 33 -1.134 4.811 -1.154 251 H GLY 34 H GLY 34 -0.880 3.736 1.002 252 HA2 GLY 34 1HA GLY 34 -0.824 1.537 1.702 253 HA3 GLY 34 2HA GLY 34 -2.533 1.592 2.087 254 H ALA 35 H ALA 35 -0.600 2.299 -0.918 255 HA ALA 35 HA ALA 35 -2.356 0.388 -2.303 256 HB1 ALA 35 1HB ALA 35 -1.047 2.608 -3.811 257 HB2 ALA 35 2HB ALA 35 -2.656 1.876 -4.020 258 HB3 ALA 35 3HB ALA 35 -2.378 3.057 -2.718 259 H ALA 36 H ALA 36 0.896 1.983 -2.201 260 HA ALA 36 HA ALA 36 2.242 0.610 -4.066 261 HB1 ALA 36 1HB ALA 36 3.777 1.912 -3.059 262 HB2 ALA 36 2HB ALA 36 2.840 1.954 -1.546 263 HB3 ALA 36 3HB ALA 36 3.973 0.616 -1.854 264 H TYR 37 H TYR 37 1.481 -0.566 -0.723 265 HA TYR 37 HA TYR 37 2.791 -2.991 -0.888 266 HB2 TYR 37 1HB TYR 37 0.051 -2.390 0.376 267 HB3 TYR 37 2HB TYR 37 1.231 -3.540 0.971 268 HD1 TYR 37 2HD TYR 37 3.623 -2.442 1.540 269 HD2 TYR 37 1HD TYR 37 -0.102 -0.338 1.450 270 HE1 TYR 37 2HE TYR 37 4.589 -0.651 3.064 271 HE2 TYR 37 1HE TYR 37 0.877 1.446 2.974 272 HH TYR 37 HH TYR 37 4.068 1.049 4.394 273 H CYS 38 H CYS 38 -0.669 -2.213 -1.685 274 HA CYS 38 HA CYS 38 -1.493 -4.713 -2.346 275 HB2 CYS 38 1HB CYS 38 -2.337 -1.970 -2.991 276 HB3 CYS 38 2HB CYS 38 -2.789 -3.138 -4.216 277 HG CYS 38 HG CYS 38 -3.875 -2.584 -1.288 278 H GLN 39 H GLN 39 -0.222 -2.188 -4.654 279 HA GLN 39 HA GLN 39 -0.112 -3.722 -6.863 280 HB2 GLN 39 1HB GLN 39 0.861 -1.195 -6.049 281 HB3 GLN 39 2HB GLN 39 2.268 -2.027 -6.679 282 HG2 GLN 39 1HG GLN 39 0.447 -2.697 -8.608 283 HG3 GLN 39 2HG GLN 39 -0.221 -1.158 -8.101 284 HE21 GLN 39 1HE2 GLN 39 1.909 -2.654 -10.127 285 HE22 GLN 39 2HE2 GLN 39 2.948 -1.335 -10.551 286 H PHE 40 H PHE 40 2.548 -3.285 -4.422 287 HA PHE 40 HA PHE 40 4.434 -4.877 -5.552 288 HB2 PHE 40 1HB PHE 40 3.895 -3.572 -3.113 289 HB3 PHE 40 2HB PHE 40 3.985 -5.249 -2.615 290 HD1 PHE 40 1HD PHE 40 6.082 -6.110 -4.674 291 HD2 PHE 40 2HD PHE 40 5.858 -2.786 -2.046 292 HE1 PHE 40 1HE PHE 40 8.588 -5.966 -4.642 293 HE2 PHE 40 2HE PHE 40 8.363 -2.642 -2.014 294 HZ PHE 40 HZ PHE 40 9.698 -4.234 -3.312 295 H MET 41 H MET 41 1.692 -5.891 -3.410 296 HA MET 41 HA MET 41 2.413 -8.531 -3.207 297 HB2 MET 41 1HB MET 41 -0.099 -6.894 -2.962 298 HB3 MET 41 2HB MET 41 -0.348 -8.618 -3.152 299 HG2 MET 41 1HG MET 41 1.462 -7.355 -1.036 300 HG3 MET 41 2HG MET 41 -0.173 -7.910 -0.740 301 HE1 MET 41 1HE MET 41 -0.567 -11.184 -1.215 302 HE2 MET 41 2HE MET 41 0.095 -11.087 0.434 303 HE3 MET 41 3HE MET 41 -0.888 -9.750 -0.210 304 H ASP 42 H ASP 42 -0.123 -7.133 -5.421 305 HA ASP 42 HA ASP 42 -0.713 -9.329 -6.810 306 HB2 ASP 42 1HB ASP 42 -1.240 -6.645 -7.067 307 HB3 ASP 42 2HB ASP 42 -0.244 -6.893 -8.487 308 H MET 43 H MET 43 2.234 -7.325 -6.964 309 HA MET 43 HA MET 43 3.149 -8.378 -9.415 310 HB2 MET 43 1HB MET 43 3.867 -6.324 -7.570 311 HB3 MET 43 2HB MET 43 5.247 -7.403 -7.586 312 HG2 MET 43 1HG MET 43 4.031 -6.621 -10.239 313 HG3 MET 43 2HG MET 43 4.993 -5.427 -9.392 314 HE1 MET 43 1HE MET 43 7.224 -7.694 -7.889 315 HE2 MET 43 2HE MET 43 8.425 -6.998 -9.002 316 HE3 MET 43 3HE MET 43 7.169 -5.960 -8.286 317 H LEU 44 H LEU 44 3.487 -9.261 -5.970 318 HA LEU 44 HA LEU 44 5.496 -11.249 -6.610 319 HB2 LEU 44 1HB LEU 44 4.209 -10.338 -4.038 320 HB3 LEU 44 2HB LEU 44 5.324 -11.687 -4.127 321 HG LEU 44 HG LEU 44 5.976 -8.837 -4.932 322 HD11 LEU 44 1HD1 LEU 44 6.451 -8.377 -2.815 323 HD12 LEU 44 2HD1 LEU 44 5.730 -9.937 -2.351 324 HD13 LEU 44 3HD1 LEU 44 7.476 -9.825 -2.680 325 HD21 LEU 44 1HD2 LEU 44 8.331 -10.270 -4.450 326 HD22 LEU 44 2HD2 LEU 44 7.314 -11.357 -5.426 327 HD23 LEU 44 3HD2 LEU 44 7.697 -9.723 -6.020 328 H PHE 45 H PHE 45 2.187 -11.164 -5.104 329 HA PHE 45 HA PHE 45 1.871 -13.915 -6.082 330 HB2 PHE 45 1HB PHE 45 0.415 -12.416 -3.826 331 HB3 PHE 45 2HB PHE 45 0.314 -14.135 -4.146 332 HD1 PHE 45 1HD PHE 45 2.377 -11.465 -2.738 333 HD2 PHE 45 2HD PHE 45 2.113 -15.632 -3.492 334 HE1 PHE 45 1HE PHE 45 4.275 -11.873 -1.147 335 HE2 PHE 45 2HE PHE 45 4.011 -16.040 -1.900 336 HZ PHE 45 HZ PHE 45 5.069 -14.156 -0.747 337 HA PRO 46 HA PRO 46 -1.162 -11.829 -8.532 338 HB2 PRO 46 1HB PRO 46 -1.362 -13.744 -10.472 339 HB3 PRO 46 2HB PRO 46 -0.196 -12.437 -10.532 340 HG2 PRO 46 1HG PRO 46 0.246 -15.288 -9.886 341 HG3 PRO 46 2HG PRO 46 1.418 -14.076 -10.363 342 HD2 PRO 46 1HD PRO 46 0.972 -15.083 -7.714 343 HD3 PRO 46 2HD PRO 46 2.062 -13.790 -8.174 344 H GLY 47 H GLY 47 -3.182 -11.643 -7.822 345 HA2 GLY 47 1HA GLY 47 -5.347 -12.490 -7.713 346 HA3 GLY 47 2HA GLY 47 -4.727 -14.129 -7.717 347 H SER 48 H SER 48 -3.206 -11.672 -5.655 348 HA SER 48 HA SER 48 -4.288 -13.117 -3.376 349 HB2 SER 48 1HB SER 48 -2.340 -12.325 -2.133 350 HB3 SER 48 2HB SER 48 -1.807 -13.073 -3.625 351 HG SER 48 HG SER 48 -1.708 -10.870 -4.559 352 H ILE 49 H ILE 49 -3.943 -9.936 -4.943 353 HA ILE 49 HA ILE 49 -5.590 -8.796 -2.792 354 HB ILE 49 HB ILE 49 -4.037 -6.960 -4.491 355 HG12 ILE 49 1HG1 ILE 49 -2.490 -8.944 -4.114 356 HG13 ILE 49 2HG1 ILE 49 -1.904 -7.373 -3.603 357 HG21 ILE 49 1HG2 ILE 49 -3.537 -6.215 -1.975 358 HG22 ILE 49 2HG2 ILE 49 -5.049 -5.804 -2.820 359 HG23 ILE 49 3HG2 ILE 49 -5.008 -7.175 -1.686 360 HD11 ILE 49 1HD1 ILE 49 -3.418 -9.016 -1.583 361 HD12 ILE 49 2HD1 ILE 49 -1.756 -9.505 -1.990 362 HD13 ILE 49 3HD1 ILE 49 -2.070 -7.879 -1.337 363 H ALA 50 H ALA 50 -6.338 -6.429 -4.130 364 HA ALA 50 HA ALA 50 -7.700 -7.446 -6.521 365 HB1 ALA 50 1HB ALA 50 -9.415 -5.611 -5.169 366 HB2 ALA 50 2HB ALA 50 -9.674 -7.348 -5.456 367 HB3 ALA 50 3HB ALA 50 -8.867 -6.802 -3.966 368 H LEU 51 H LEU 51 -5.578 -6.237 -7.235 369 HA LEU 51 HA LEU 51 -5.198 -3.564 -6.949 370 HB2 LEU 51 1HB LEU 51 -4.359 -5.656 -8.716 371 HB3 LEU 51 2HB LEU 51 -4.664 -4.210 -9.657 372 HG LEU 51 HG LEU 51 -2.724 -4.554 -7.365 373 HD11 LEU 51 1HD1 LEU 51 -1.578 -5.254 -9.211 374 HD12 LEU 51 2HD1 LEU 51 -2.510 -4.226 -10.326 375 HD13 LEU 51 3HD1 LEU 51 -1.247 -3.508 -9.298 376 HD21 LEU 51 1HD2 LEU 51 -2.991 -2.422 -6.809 377 HD22 LEU 51 2HD2 LEU 51 -2.392 -1.978 -8.426 378 HD23 LEU 51 3HD2 LEU 51 -4.140 -2.158 -8.143 379 H LYS 52 H LYS 52 -7.810 -5.230 -8.608 380 HA LYS 52 HA LYS 52 -8.584 -2.803 -10.003 381 HB2 LYS 52 1HB LYS 52 -9.017 -5.654 -10.336 382 HB3 LYS 52 2HB LYS 52 -10.542 -4.791 -10.350 383 HG2 LYS 52 1HG LYS 52 -8.341 -3.501 -11.907 384 HG3 LYS 52 2HG LYS 52 -8.892 -5.040 -12.536 385 HD2 LYS 52 1HD LYS 52 -10.317 -3.478 -13.604 386 HD3 LYS 52 2HD LYS 52 -11.304 -4.086 -12.289 387 HE2 LYS 52 1HE LYS 52 -11.194 -2.094 -11.087 388 HE3 LYS 52 2HE LYS 52 -9.591 -1.697 -11.673 389 HZ1 LYS 52 1HZ LYS 52 -11.901 -1.682 -13.468 390 HZ2 LYS 52 2HZ LYS 52 -11.517 -0.375 -12.566 391 HZ3 LYS 52 3HZ LYS 52 -10.458 -0.946 -13.670 392 H LYS 53 H LYS 53 -8.477 -2.441 -7.228 393 HA LYS 53 HA LYS 53 -11.197 -1.710 -6.755 394 HB2 LYS 53 1HB LYS 53 -10.710 -4.253 -5.998 395 HB3 LYS 53 2HB LYS 53 -10.153 -3.426 -4.558 396 HG2 LYS 53 1HG LYS 53 -12.277 -2.439 -4.140 397 HG3 LYS 53 2HG LYS 53 -12.814 -2.657 -5.794 398 HD2 LYS 53 1HD LYS 53 -13.975 -4.342 -4.578 399 HD3 LYS 53 2HD LYS 53 -12.666 -5.205 -5.360 400 HE2 LYS 53 1HE LYS 53 -11.375 -4.575 -3.072 401 HE3 LYS 53 2HE LYS 53 -13.011 -4.506 -2.448 402 HZ1 LYS 53 1HZ LYS 53 -11.770 -6.791 -3.814 403 HZ2 LYS 53 2HZ LYS 53 -12.181 -6.700 -2.236 404 HZ3 LYS 53 3HZ LYS 53 -13.344 -6.733 -3.382 405 H VAL 54 H VAL 54 -7.862 -2.185 -5.457 406 HA VAL 54 HA VAL 54 -7.897 -0.376 -3.424 407 HB VAL 54 HB VAL 54 -6.047 -1.843 -3.888 408 HG11 VAL 54 1HG1 VAL 54 -5.344 -0.114 -6.278 409 HG12 VAL 54 2HG1 VAL 54 -4.564 -1.625 -5.752 410 HG13 VAL 54 3HG1 VAL 54 -6.221 -1.658 -6.400 411 HG21 VAL 54 1HG2 VAL 54 -4.997 0.981 -4.196 412 HG22 VAL 54 2HG2 VAL 54 -5.706 0.372 -2.681 413 HG23 VAL 54 3HG2 VAL 54 -4.245 -0.393 -3.351 414 H LYS 55 H LYS 55 -7.285 1.883 -3.236 415 HA LYS 55 HA LYS 55 -8.076 3.372 -5.631 416 HB2 LYS 55 1HB LYS 55 -8.363 3.850 -2.684 417 HB3 LYS 55 2HB LYS 55 -8.273 5.229 -3.760 418 HG2 LYS 55 1HG LYS 55 -10.145 2.952 -4.449 419 HG3 LYS 55 2HG LYS 55 -10.619 4.095 -3.208 420 HD2 LYS 55 1HD LYS 55 -10.016 5.952 -4.944 421 HD3 LYS 55 2HD LYS 55 -10.006 4.665 -6.133 422 HE2 LYS 55 1HE LYS 55 -12.291 4.470 -6.129 423 HE3 LYS 55 2HE LYS 55 -12.397 4.599 -4.384 424 HZ1 LYS 55 1HZ LYS 55 -11.838 7.030 -4.792 425 HZ2 LYS 55 2HZ LYS 55 -12.260 6.755 -6.346 426 HZ3 LYS 55 3HZ LYS 55 -13.350 6.526 -5.151 427 H PHE 56 H PHE 56 -6.302 3.851 -6.839 428 HA PHE 56 HA PHE 56 -3.829 4.462 -5.451 429 HB2 PHE 56 1HB PHE 56 -4.797 3.920 -8.296 430 HB3 PHE 56 2HB PHE 56 -3.227 4.666 -8.071 431 HD1 PHE 56 1HD PHE 56 -4.435 2.255 -5.611 432 HD2 PHE 56 2HD PHE 56 -2.126 2.767 -9.135 433 HE1 PHE 56 1HE PHE 56 -3.407 -0.009 -5.267 434 HE2 PHE 56 2HE PHE 56 -1.098 0.503 -8.790 435 HZ PHE 56 HZ PHE 56 -1.751 -0.858 -6.861 436 H GLN 57 H GLN 57 -6.403 6.255 -5.650 437 HA GLN 57 HA GLN 57 -4.872 8.625 -6.249 438 HB2 GLN 57 1HB GLN 57 -7.041 9.498 -7.473 439 HB3 GLN 57 2HB GLN 57 -5.869 8.539 -8.354 440 HG2 GLN 57 1HG GLN 57 -7.206 6.562 -8.232 441 HG3 GLN 57 2HG GLN 57 -8.183 7.192 -6.920 442 HE21 GLN 57 1HE2 GLN 57 -7.854 6.800 -10.253 443 HE22 GLN 57 2HE2 GLN 57 -9.177 7.773 -10.803 444 H ALA 58 H ALA 58 -6.042 7.134 -3.864 445 HA ALA 58 HA ALA 58 -8.294 8.580 -2.969 446 HB1 ALA 58 1HB ALA 58 -8.233 6.990 -1.377 447 HB2 ALA 58 2HB ALA 58 -6.791 6.334 -2.189 448 HB3 ALA 58 3HB ALA 58 -6.609 7.495 -0.852 449 H LYS 59 H LYS 59 -8.444 10.593 -2.098 450 HA LYS 59 HA LYS 59 -5.903 11.870 -1.360 451 HB2 LYS 59 1HB LYS 59 -8.197 12.750 -2.977 452 HB3 LYS 59 2HB LYS 59 -7.717 13.911 -1.756 453 HG2 LYS 59 1HG LYS 59 -5.828 14.459 -2.896 454 HG3 LYS 59 2HG LYS 59 -5.350 12.779 -3.044 455 HD2 LYS 59 1HD LYS 59 -5.729 13.900 -5.268 456 HD3 LYS 59 2HD LYS 59 -6.725 12.477 -5.035 457 HE2 LYS 59 1HE LYS 59 -8.531 13.771 -5.508 458 HE3 LYS 59 2HE LYS 59 -8.289 14.559 -3.962 459 HZ1 LYS 59 1HZ LYS 59 -6.510 15.823 -5.441 460 HZ2 LYS 59 2HZ LYS 59 -7.615 15.486 -6.595 461 HZ3 LYS 59 3HZ LYS 59 -8.051 16.335 -5.270 462 H LEU 60 H LEU 60 -8.967 10.660 -0.278 463 HA LEU 60 HA LEU 60 -8.843 12.320 2.123 464 HB2 LEU 60 1HB LEU 60 -11.030 10.379 1.458 465 HB3 LEU 60 2HB LEU 60 -11.080 11.790 2.496 466 HG LEU 60 HG LEU 60 -11.039 11.711 -0.525 467 HD11 LEU 60 1HD1 LEU 60 -13.103 13.281 0.074 468 HD12 LEU 60 2HD1 LEU 60 -13.242 11.508 0.008 469 HD13 LEU 60 3HD1 LEU 60 -13.060 12.328 1.577 470 HD21 LEU 60 1HD2 LEU 60 -11.331 14.365 0.126 471 HD22 LEU 60 2HD2 LEU 60 -10.084 13.821 1.273 472 HD23 LEU 60 3HD2 LEU 60 -9.842 13.598 -0.476 473 H GLU 61 H GLU 61 -9.250 11.154 4.248 474 HA GLU 61 HA GLU 61 -7.337 9.084 4.426 475 HB2 GLU 61 1HB GLU 61 -8.563 10.958 6.184 476 HB3 GLU 61 2HB GLU 61 -8.958 9.376 6.827 477 HG2 GLU 61 1HG GLU 61 -6.673 8.765 7.089 478 HG3 GLU 61 2HG GLU 61 -6.116 9.978 5.953 479 H HIS 62 H HIS 62 -10.909 9.287 5.085 480 HA HIS 62 HA HIS 62 -11.449 6.792 5.837 481 HB2 HIS 62 1HB HIS 62 -13.654 7.072 4.938 482 HB3 HIS 62 2HB HIS 62 -13.087 8.616 5.544 483 HD1 HIS 62 1HD HIS 62 -14.437 6.990 2.536 484 HD2 HIS 62 2HD HIS 62 -12.235 10.453 3.402 485 HE1 HIS 62 1HE HIS 62 -14.622 8.488 0.479 486 H GLU 63 H GLU 63 -10.441 7.846 2.586 487 HA GLU 63 HA GLU 63 -11.126 5.438 1.324 488 HB2 GLU 63 1HB GLU 63 -8.955 7.377 0.437 489 HB3 GLU 63 2HB GLU 63 -9.909 6.310 -0.574 490 HG2 GLU 63 1HG GLU 63 -11.631 8.064 1.037 491 HG3 GLU 63 2HG GLU 63 -10.500 8.997 0.078 492 H TYR 64 H TYR 64 -7.941 6.798 2.445 493 HA TYR 64 HA TYR 64 -6.220 4.883 1.804 494 HB2 TYR 64 1HB TYR 64 -6.687 6.129 4.586 495 HB3 TYR 64 2HB TYR 64 -5.154 5.467 4.053 496 HD1 TYR 64 1HD TYR 64 -6.186 6.833 1.135 497 HD2 TYR 64 2HD TYR 64 -5.056 8.122 5.055 498 HE1 TYR 64 1HE TYR 64 -5.529 9.106 0.205 499 HE2 TYR 64 2HE TYR 64 -4.403 10.391 4.112 500 HH TYR 64 HH TYR 64 -4.075 11.561 2.308 501 H ILE 65 H ILE 65 -8.454 4.697 4.658 502 HA ILE 65 HA ILE 65 -7.601 2.340 5.714 503 HB ILE 65 HB ILE 65 -10.259 3.700 5.550 504 HG12 ILE 65 1HG1 ILE 65 -9.582 3.324 8.190 505 HG13 ILE 65 2HG1 ILE 65 -8.008 3.494 7.439 506 HG21 ILE 65 1HG2 ILE 65 -9.735 0.941 6.658 507 HG22 ILE 65 2HG2 ILE 65 -11.060 1.973 7.246 508 HG23 ILE 65 3HG2 ILE 65 -11.013 1.472 5.539 509 HD11 ILE 65 1HD1 ILE 65 -9.300 5.651 8.216 510 HD12 ILE 65 2HD1 ILE 65 -8.459 5.668 6.647 511 HD13 ILE 65 3HD1 ILE 65 -10.222 5.428 6.710 512 H GLN 66 H GLN 66 -10.275 2.680 3.269 513 HA GLN 66 HA GLN 66 -10.731 0.078 2.838 514 HB2 GLN 66 1HB GLN 66 -10.760 2.456 0.958 515 HB3 GLN 66 2HB GLN 66 -11.202 0.865 0.373 516 HG2 GLN 66 1HG GLN 66 -12.654 1.021 2.740 517 HG3 GLN 66 2HG GLN 66 -12.682 2.686 2.195 518 HE21 GLN 66 1HE2 GLN 66 -14.619 0.306 2.292 519 HE22 GLN 66 2HE2 GLN 66 -15.377 0.291 0.734 520 H ASN 67 H ASN 67 -8.296 2.098 1.039 521 HA ASN 67 HA ASN 67 -7.308 0.341 -0.659 522 HB2 ASN 67 1HB ASN 67 -5.596 2.100 1.177 523 HB3 ASN 67 2HB ASN 67 -5.082 1.463 -0.372 524 HD21 ASN 67 1HD2 ASN 67 -4.733 3.506 -1.198 525 HD22 ASN 67 2HD2 ASN 67 -6.011 4.570 -1.680 526 H PHE 68 H PHE 68 -6.336 0.664 2.837 527 HA PHE 68 HA PHE 68 -4.544 -1.500 2.791 528 HB2 PHE 68 1HB PHE 68 -6.137 0.073 4.880 529 HB3 PHE 68 2HB PHE 68 -5.122 -1.263 5.387 530 HD1 PHE 68 2HD PHE 68 -2.632 -1.164 4.646 531 HD2 PHE 68 1HD PHE 68 -5.220 2.199 4.663 532 HE1 PHE 68 2HE PHE 68 -0.643 0.366 4.698 533 HE2 PHE 68 1HE PHE 68 -3.231 3.729 4.716 534 HZ PHE 68 HZ PHE 68 -0.966 2.794 4.732 535 H LYS 69 H LYS 69 -8.006 -1.171 3.801 536 HA LYS 69 HA LYS 69 -8.455 -3.565 4.939 537 HB2 LYS 69 1HB LYS 69 -10.231 -2.074 2.986 538 HB3 LYS 69 2HB LYS 69 -10.772 -3.383 4.017 539 HG2 LYS 69 1HG LYS 69 -9.593 -1.860 5.920 540 HG3 LYS 69 2HG LYS 69 -9.948 -0.588 4.769 541 HD2 LYS 69 1HD LYS 69 -12.175 -0.643 5.243 542 HD3 LYS 69 2HD LYS 69 -12.246 -2.386 5.077 543 HE2 LYS 69 1HE LYS 69 -10.826 -2.030 7.475 544 HE3 LYS 69 2HE LYS 69 -12.018 -0.746 7.523 545 HZ1 LYS 69 1HZ LYS 69 -12.803 -3.468 6.809 546 HZ2 LYS 69 2HZ LYS 69 -12.669 -3.023 8.374 547 HZ3 LYS 69 3HZ LYS 69 -13.732 -2.261 7.397 548 H ILE 70 H ILE 70 -8.274 -2.886 1.392 549 HA ILE 70 HA ILE 70 -8.831 -5.539 0.640 550 HB ILE 70 HB ILE 70 -7.485 -3.246 -0.787 551 HG12 ILE 70 1HG1 ILE 70 -10.300 -4.353 -1.008 552 HG13 ILE 70 2HG1 ILE 70 -9.855 -2.919 -0.105 553 HG21 ILE 70 1HG2 ILE 70 -7.121 -4.491 -2.608 554 HG22 ILE 70 2HG2 ILE 70 -7.228 -5.884 -1.505 555 HG23 ILE 70 3HG2 ILE 70 -8.657 -5.372 -2.434 556 HD11 ILE 70 1HD1 ILE 70 -9.422 -1.663 -2.019 557 HD12 ILE 70 2HD1 ILE 70 -8.973 -3.091 -2.981 558 HD13 ILE 70 3HD1 ILE 70 -10.686 -2.751 -2.640 559 H LEU 71 H LEU 71 -5.705 -3.689 0.805 560 HA LEU 71 HA LEU 71 -4.014 -5.702 0.129 561 HB2 LEU 71 1HB LEU 71 -3.352 -3.396 0.454 562 HB3 LEU 71 2HB LEU 71 -3.646 -3.514 2.177 563 HG LEU 71 HG LEU 71 -1.217 -3.669 1.216 564 HD11 LEU 71 1HD1 LEU 71 -1.253 -5.784 3.139 565 HD12 LEU 71 2HD1 LEU 71 -0.801 -4.076 3.354 566 HD13 LEU 71 3HD1 LEU 71 -2.491 -4.585 3.582 567 HD21 LEU 71 1HD2 LEU 71 -2.069 -5.662 -0.273 568 HD22 LEU 71 2HD2 LEU 71 -0.431 -5.674 0.424 569 HD23 LEU 71 3HD2 LEU 71 -1.732 -6.618 1.190 570 H GLN 72 H GLN 72 -5.188 -4.921 3.478 571 HA GLN 72 HA GLN 72 -3.907 -6.816 4.849 572 HB2 GLN 72 1HB GLN 72 -5.998 -5.086 5.352 573 HB3 GLN 72 2HB GLN 72 -6.793 -6.636 5.541 574 HG2 GLN 72 1HG GLN 72 -4.156 -5.943 6.911 575 HG3 GLN 72 2HG GLN 72 -5.718 -5.684 7.661 576 HE21 GLN 72 1HE2 GLN 72 -3.186 -7.755 7.368 577 HE22 GLN 72 2HE2 GLN 72 -3.917 -9.254 7.838 578 H ALA 73 H ALA 73 -7.166 -7.296 3.293 579 HA ALA 73 HA ALA 73 -7.557 -9.909 3.863 580 HB1 ALA 73 1HB ALA 73 -8.223 -8.149 1.511 581 HB2 ALA 73 2HB ALA 73 -8.632 -9.880 1.447 582 HB3 ALA 73 3HB ALA 73 -9.300 -8.856 2.740 583 H GLY 74 H GLY 74 -5.261 -8.480 1.533 584 HA2 GLY 74 1HA GLY 74 -4.639 -10.681 -0.015 585 HA3 GLY 74 2HA GLY 74 -3.538 -9.385 0.408 586 H PHE 75 H PHE 75 -3.655 -9.850 3.340 587 HA PHE 75 HA PHE 75 -1.667 -11.894 3.434 588 HB2 PHE 75 1HB PHE 75 -3.123 -10.030 5.379 589 HB3 PHE 75 2HB PHE 75 -2.024 -11.245 5.999 590 HD1 PHE 75 1HD PHE 75 -1.091 -9.928 2.793 591 HD2 PHE 75 2HD PHE 75 -0.823 -9.245 6.973 592 HE1 PHE 75 1HE PHE 75 0.842 -8.372 2.415 593 HE2 PHE 75 2HE PHE 75 1.110 -7.689 6.595 594 HZ PHE 75 HZ PHE 75 1.920 -7.271 4.320 595 H LYS 76 H LYS 76 -5.030 -11.461 4.711 596 HA LYS 76 HA LYS 76 -5.082 -13.946 6.030 597 HB2 LYS 76 1HB LYS 76 -7.243 -13.401 6.591 598 HB3 LYS 76 2HB LYS 76 -6.572 -11.813 6.280 599 HG2 LYS 76 1HG LYS 76 -8.283 -11.515 4.812 600 HG3 LYS 76 2HG LYS 76 -7.427 -12.609 3.743 601 HD2 LYS 76 1HD LYS 76 -8.853 -14.193 5.702 602 HD3 LYS 76 2HD LYS 76 -9.966 -13.014 5.036 603 HE2 LYS 76 1HE LYS 76 -9.651 -13.796 2.797 604 HE3 LYS 76 2HE LYS 76 -8.164 -14.631 3.199 605 HZ1 LYS 76 1HZ LYS 76 -10.704 -15.402 4.428 606 HZ2 LYS 76 2HZ LYS 76 -10.248 -15.999 2.978 607 HZ3 LYS 76 3HZ LYS 76 -9.332 -16.279 4.301 608 H ARG 77 H ARG 77 -5.226 -13.025 2.682 609 HA ARG 77 HA ARG 77 -6.760 -15.273 1.891 610 HB2 ARG 77 1HB ARG 77 -5.216 -13.081 0.486 611 HB3 ARG 77 2HB ARG 77 -5.660 -14.502 -0.439 612 HG2 ARG 77 1HG ARG 77 -8.071 -14.122 0.535 613 HG3 ARG 77 2HG ARG 77 -7.497 -12.520 0.951 614 HD2 ARG 77 1HD ARG 77 -6.723 -12.340 -1.536 615 HD3 ARG 77 2HD ARG 77 -7.711 -13.759 -1.823 616 HE ARG 77 HE ARG 77 -9.665 -12.475 -1.469 617 HH11 ARG 77 2HH2 ARG 77 -6.803 -10.618 -0.609 618 HH12 ARG 77 1HH2 ARG 77 -7.658 -9.116 -0.486 619 HH21 ARG 77 2HH1 ARG 77 -10.794 -10.494 -1.307 620 HH22 ARG 77 1HH1 ARG 77 -9.943 -9.046 -0.885 621 H MET 78 H MET 78 -3.273 -14.289 1.839 622 HA MET 78 HA MET 78 -2.512 -16.801 0.721 623 HB2 MET 78 1HB MET 78 -0.868 -14.514 1.943 624 HB3 MET 78 2HB MET 78 -0.190 -15.844 1.025 625 HG2 MET 78 1HG MET 78 -2.129 -13.723 -0.010 626 HG3 MET 78 2HG MET 78 -0.443 -13.901 -0.453 627 HE1 MET 78 1HE MET 78 0.221 -16.847 -1.622 628 HE2 MET 78 2HE MET 78 -0.272 -16.172 -3.193 629 HE3 MET 78 3HE MET 78 0.481 -15.121 -1.969 630 H GLY 79 H GLY 79 -1.552 -15.072 3.783 631 HA2 GLY 79 1HA GLY 79 -2.214 -16.666 5.747 632 HA3 GLY 79 2HA GLY 79 -0.987 -17.674 5.007 633 H VAL 80 H VAL 80 -1.350 -14.117 5.712 634 HA VAL 80 HA VAL 80 1.371 -14.220 6.812 635 HB VAL 80 HB VAL 80 -0.196 -11.935 5.598 636 HG11 VAL 80 1HG1 VAL 80 1.176 -10.566 6.705 637 HG12 VAL 80 2HG1 VAL 80 2.078 -11.942 7.384 638 HG13 VAL 80 3HG1 VAL 80 2.538 -11.271 5.801 639 HG21 VAL 80 1HG2 VAL 80 0.476 -13.262 3.794 640 HG22 VAL 80 2HG2 VAL 80 1.788 -12.067 3.934 641 HG23 VAL 80 3HG2 VAL 80 2.013 -13.715 4.570 642 H ASP 81 H ASP 81 1.358 -14.357 8.995 643 HA ASP 81 HA ASP 81 -0.935 -13.618 10.451 644 HB2 ASP 81 1HB ASP 81 0.808 -13.949 12.421 645 HB3 ASP 81 2HB ASP 81 0.246 -15.331 11.502 646 H LYS 82 H LYS 82 -0.852 -11.279 9.485 647 HA LYS 82 HA LYS 82 0.584 -9.602 11.381 648 HB2 LYS 82 1HB LYS 82 2.164 -9.576 9.634 649 HB3 LYS 82 2HB LYS 82 0.935 -9.522 8.386 650 HG2 LYS 82 1HG LYS 82 1.808 -7.289 8.539 651 HG3 LYS 82 2HG LYS 82 0.232 -7.236 9.303 652 HD2 LYS 82 1HD LYS 82 1.206 -7.292 11.527 653 HD3 LYS 82 2HD LYS 82 2.792 -7.690 10.896 654 HE2 LYS 82 1HE LYS 82 2.900 -5.470 9.749 655 HE3 LYS 82 2HE LYS 82 1.306 -5.072 10.359 656 HZ1 LYS 82 1HZ LYS 82 2.472 -5.685 12.605 657 HZ2 LYS 82 2HZ LYS 82 3.811 -5.235 11.787 658 HZ3 LYS 82 3HZ LYS 82 2.575 -4.184 11.970 659 H ILE 83 H ILE 83 -0.834 -8.208 12.275 660 HA ILE 83 HA ILE 83 -3.341 -7.785 10.833 661 HB ILE 83 HB ILE 83 -2.556 -7.541 13.732 662 HG12 ILE 83 1HG1 ILE 83 -4.182 -9.458 12.100 663 HG13 ILE 83 2HG1 ILE 83 -2.989 -9.778 13.342 664 HG21 ILE 83 1HG2 ILE 83 -5.390 -7.144 13.097 665 HG22 ILE 83 2HG2 ILE 83 -4.328 -6.274 14.229 666 HG23 ILE 83 3HG2 ILE 83 -4.333 -5.841 12.502 667 HD11 ILE 83 1HD1 ILE 83 -4.822 -10.166 14.659 668 HD12 ILE 83 2HD1 ILE 83 -4.861 -8.392 14.804 669 HD13 ILE 83 3HD1 ILE 83 -5.896 -9.211 13.610 670 H ILE 84 H ILE 84 -2.623 -6.227 9.306 671 HA ILE 84 HA ILE 84 -1.040 -4.066 9.801 672 HB ILE 84 HB ILE 84 -3.425 -4.312 7.966 673 HG12 ILE 84 1HG1 ILE 84 -0.481 -4.922 7.621 674 HG13 ILE 84 2HG1 ILE 84 -1.830 -6.033 7.497 675 HG21 ILE 84 1HG2 ILE 84 -2.502 -1.941 8.556 676 HG22 ILE 84 2HG2 ILE 84 -1.148 -2.414 7.502 677 HG23 ILE 84 3HG2 ILE 84 -2.807 -2.386 6.859 678 HD11 ILE 84 1HD1 ILE 84 -1.464 -5.587 5.242 679 HD12 ILE 84 2HD1 ILE 84 -2.656 -4.318 5.615 680 HD13 ILE 84 3HD1 ILE 84 -0.922 -3.920 5.553 681 HA PRO 85 HA PRO 85 -3.344 -1.593 12.499 682 HB2 PRO 85 1HB PRO 85 -1.915 0.729 12.321 683 HB3 PRO 85 2HB PRO 85 -1.434 -0.617 13.335 684 HG2 PRO 85 1HG PRO 85 -0.295 0.257 10.751 685 HG3 PRO 85 2HG PRO 85 0.414 -0.789 11.965 686 HD2 PRO 85 1HD PRO 85 -0.759 -1.599 9.477 687 HD3 PRO 85 2HD PRO 85 -0.156 -2.650 10.743 688 H VAL 86 H VAL 86 -2.438 0.081 9.521 689 HA VAL 86 HA VAL 86 -3.648 1.281 8.114 690 HB VAL 86 HB VAL 86 -5.973 -0.107 9.461 691 HG11 VAL 86 1HG1 VAL 86 -6.810 1.884 8.388 692 HG12 VAL 86 2HG1 VAL 86 -5.875 1.541 6.913 693 HG13 VAL 86 3HG1 VAL 86 -7.227 0.480 7.376 694 HG21 VAL 86 1HG2 VAL 86 -4.230 -0.764 7.088 695 HG22 VAL 86 2HG2 VAL 86 -4.693 -1.791 8.466 696 HG23 VAL 86 3HG2 VAL 86 -5.891 -1.393 7.211 697 H ASP 87 H ASP 87 -5.838 1.287 11.014 698 HA ASP 87 HA ASP 87 -6.547 3.866 10.883 699 HB2 ASP 87 1HB ASP 87 -6.998 1.847 12.635 700 HB3 ASP 87 2HB ASP 87 -5.882 2.780 13.612 701 H LYS 88 H LYS 88 -3.428 2.481 11.741 702 HA LYS 88 HA LYS 88 -2.524 4.924 13.026 703 HB2 LYS 88 1HB LYS 88 -0.879 2.450 12.484 704 HB3 LYS 88 2HB LYS 88 -0.616 3.693 13.690 705 HG2 LYS 88 1HG LYS 88 -2.731 3.017 14.848 706 HG3 LYS 88 2HG LYS 88 -2.992 1.772 13.642 707 HD2 LYS 88 1HD LYS 88 -1.954 0.578 15.393 708 HD3 LYS 88 2HD LYS 88 -0.617 0.898 14.305 709 HE2 LYS 88 1HE LYS 88 0.331 2.522 15.709 710 HE3 LYS 88 2HE LYS 88 -1.205 2.949 16.438 711 HZ1 LYS 88 1HZ LYS 88 -0.869 1.461 18.010 712 HZ2 LYS 88 2HZ LYS 88 -0.560 0.256 16.952 713 HZ3 LYS 88 3HZ LYS 88 0.648 1.235 17.449 714 H LEU 89 H LEU 89 -2.231 3.068 9.986 715 HA LEU 89 HA LEU 89 -0.123 4.703 8.981 716 HB2 LEU 89 1HB LEU 89 -1.990 2.844 7.505 717 HB3 LEU 89 2HB LEU 89 -0.468 3.485 6.920 718 HG LEU 89 HG LEU 89 -0.684 1.700 9.355 719 HD11 LEU 89 1HD1 LEU 89 -0.066 -0.177 7.977 720 HD12 LEU 89 2HD1 LEU 89 -1.550 0.561 7.327 721 HD13 LEU 89 3HD1 LEU 89 0.014 0.857 6.530 722 HD21 LEU 89 1HD2 LEU 89 1.600 2.811 7.744 723 HD22 LEU 89 2HD2 LEU 89 1.356 2.795 9.507 724 HD23 LEU 89 3HD2 LEU 89 1.777 1.291 8.653 725 H VAL 90 H VAL 90 -3.673 4.398 8.270 726 HA VAL 90 HA VAL 90 -3.789 6.499 6.474 727 HB VAL 90 HB VAL 90 -6.172 6.474 6.913 728 HG11 VAL 90 1HG1 VAL 90 -5.471 3.580 7.189 729 HG12 VAL 90 2HG1 VAL 90 -6.557 4.392 6.037 730 HG13 VAL 90 3HG1 VAL 90 -4.794 4.480 5.811 731 HG21 VAL 90 1HG2 VAL 90 -5.312 5.404 9.517 732 HG22 VAL 90 2HG2 VAL 90 -6.790 6.288 9.068 733 HG23 VAL 90 3HG2 VAL 90 -6.685 4.533 8.792 734 H LYS 91 H LYS 91 -3.194 6.492 9.894 735 HA LYS 91 HA LYS 91 -4.241 9.114 10.361 736 HB2 LYS 91 1HB LYS 91 -2.794 7.029 11.937 737 HB3 LYS 91 2HB LYS 91 -2.691 8.686 12.497 738 HG2 LYS 91 1HG LYS 91 -5.352 7.376 11.794 739 HG3 LYS 91 2HG LYS 91 -4.658 7.272 13.400 740 HD2 LYS 91 1HD LYS 91 -4.953 9.983 12.074 741 HD3 LYS 91 2HD LYS 91 -6.351 9.228 12.813 742 HE2 LYS 91 1HE LYS 91 -5.353 9.223 14.990 743 HE3 LYS 91 2HE LYS 91 -3.740 9.468 14.350 744 HZ1 LYS 91 1HZ LYS 91 -4.855 11.629 13.449 745 HZ2 LYS 91 2HZ LYS 91 -5.866 11.396 14.710 746 HZ3 LYS 91 3HZ LYS 91 -4.261 11.557 14.968 747 H GLY 92 H GLY 92 -1.462 7.805 8.816 748 HA2 GLY 92 1HA GLY 92 0.226 8.910 7.782 749 HA3 GLY 92 2HA GLY 92 -0.360 10.427 8.434 750 H LYS 93 H LYS 93 0.408 7.496 10.374 751 HA LYS 93 HA LYS 93 2.230 9.091 11.945 752 HB2 LYS 93 1HB LYS 93 0.978 6.364 12.231 753 HB3 LYS 93 2HB LYS 93 2.327 6.839 13.244 754 HG2 LYS 93 1HG LYS 93 0.328 8.981 13.101 755 HG3 LYS 93 2HG LYS 93 -0.404 7.482 13.637 756 HD2 LYS 93 1HD LYS 93 0.429 7.906 15.704 757 HD3 LYS 93 2HD LYS 93 2.026 7.583 15.060 758 HE2 LYS 93 1HE LYS 93 2.309 9.745 15.928 759 HE3 LYS 93 2HE LYS 93 1.947 10.096 14.249 760 HZ1 LYS 93 1HZ LYS 93 0.129 11.138 14.877 761 HZ2 LYS 93 2HZ LYS 93 -0.427 9.856 15.723 762 HZ3 LYS 93 3HZ LYS 93 0.556 10.945 16.441 763 H PHE 94 H PHE 94 4.057 9.497 10.689 764 HA PHE 94 HA PHE 94 5.281 7.862 8.929 765 HB2 PHE 94 1HB PHE 94 6.043 10.141 9.333 766 HB3 PHE 94 2HB PHE 94 6.262 9.843 11.046 767 HD1 PHE 94 1HD PHE 94 7.673 9.184 7.700 768 HD2 PHE 94 2HD PHE 94 8.315 8.988 11.890 769 HE1 PHE 94 1HE PHE 94 10.107 8.710 7.306 770 HE2 PHE 94 2HE PHE 94 10.748 8.514 11.496 771 HZ PHE 94 HZ PHE 94 11.615 8.381 9.208 772 H GLN 95 H GLN 95 5.708 7.876 12.522 773 HA GLN 95 HA GLN 95 7.741 5.991 12.534 774 HB2 GLN 95 1HB GLN 95 7.335 7.376 14.479 775 HB3 GLN 95 2HB GLN 95 5.686 6.800 14.629 776 HG2 GLN 95 1HG GLN 95 6.466 4.538 15.197 777 HG3 GLN 95 2HG GLN 95 8.130 4.986 14.878 778 HE21 GLN 95 1HE2 GLN 95 5.958 4.447 17.235 779 HE22 GLN 95 2HE2 GLN 95 6.587 5.414 18.527 780 H ASP 96 H ASP 96 4.207 5.577 13.321 781 HA ASP 96 HA ASP 96 4.291 2.859 13.552 782 HB2 ASP 96 1HB ASP 96 2.157 4.862 12.800 783 HB3 ASP 96 2HB ASP 96 1.779 3.158 12.649 784 H ASN 97 H ASN 97 4.632 4.910 10.759 785 HA ASN 97 HA ASN 97 3.663 2.947 8.915 786 HB2 ASN 97 1HB ASN 97 4.570 5.782 8.830 787 HB3 ASN 97 2HB ASN 97 5.069 4.857 7.428 788 HD21 ASN 97 1HD2 ASN 97 2.443 6.216 9.213 789 HD22 ASN 97 2HD2 ASN 97 1.167 5.913 8.081 790 H PHE 98 H PHE 98 6.786 4.572 9.839 791 HA PHE 98 HA PHE 98 8.394 3.094 8.086 792 HB2 PHE 98 1HB PHE 98 8.907 5.284 9.305 793 HB3 PHE 98 2HB PHE 98 8.970 4.397 10.815 794 HD1 PHE 98 1HD PHE 98 10.788 2.703 11.162 795 HD2 PHE 98 2HD PHE 98 10.776 5.352 7.847 796 HE1 PHE 98 1HE PHE 98 13.233 2.263 10.801 797 HE2 PHE 98 2HE PHE 98 13.220 4.912 7.486 798 HZ PHE 98 HZ PHE 98 14.420 3.373 8.968 799 H GLU 99 H GLU 99 7.163 2.487 11.384 800 HA GLU 99 HA GLU 99 8.961 0.314 11.780 801 HB2 GLU 99 1HB GLU 99 6.490 1.174 13.349 802 HB3 GLU 99 2HB GLU 99 7.641 -0.037 13.877 803 HG2 GLU 99 1HG GLU 99 8.634 2.724 13.117 804 HG3 GLU 99 2HG GLU 99 7.890 2.480 14.685 805 H PHE 100 H PHE 100 6.172 0.778 9.917 806 HA PHE 100 HA PHE 100 5.322 -2.002 10.257 807 HB2 PHE 100 1HB PHE 100 3.457 -0.493 10.413 808 HB3 PHE 100 2HB PHE 100 4.147 0.619 9.247 809 HD1 PHE 100 1HD PHE 100 4.044 0.077 6.818 810 HD2 PHE 100 2HD PHE 100 2.037 -2.278 9.722 811 HE1 PHE 100 1HE PHE 100 2.610 -0.923 5.017 812 HE2 PHE 100 2HE PHE 100 0.603 -3.278 7.921 813 HZ PHE 100 HZ PHE 100 0.906 -2.588 5.590 814 H VAL 101 H VAL 101 6.838 0.314 8.052 815 HA VAL 101 HA VAL 101 6.462 -1.362 5.748 816 HB VAL 101 HB VAL 101 6.504 1.094 5.640 817 HG11 VAL 101 1HG1 VAL 101 8.376 1.215 7.444 818 HG12 VAL 101 2HG1 VAL 101 9.487 1.036 6.065 819 HG13 VAL 101 3HG1 VAL 101 8.362 2.414 6.128 820 HG21 VAL 101 1HG2 VAL 101 7.021 -0.166 3.633 821 HG22 VAL 101 2HG2 VAL 101 8.053 1.283 3.704 822 HG23 VAL 101 3HG2 VAL 101 8.727 -0.311 4.122 823 H GLN 102 H GLN 102 9.147 -0.453 7.999 824 HA GLN 102 HA GLN 102 11.148 -1.802 6.751 825 HB2 GLN 102 1HB GLN 102 12.303 -1.768 8.894 826 HB3 GLN 102 2HB GLN 102 11.391 -0.281 8.725 827 HG2 GLN 102 1HG GLN 102 9.980 -0.791 10.463 828 HG3 GLN 102 2HG GLN 102 9.846 -2.474 9.996 829 HE21 GLN 102 1HE2 GLN 102 11.881 -0.078 11.580 830 HE22 GLN 102 2HE2 GLN 102 12.768 -1.158 12.603 831 H TRP 103 H TRP 103 8.322 -3.071 8.352 832 HA TRP 103 HA TRP 103 9.532 -5.678 8.766 833 HB2 TRP 103 1HB TRP 103 8.106 -4.929 10.512 834 HB3 TRP 103 2HB TRP 103 6.825 -4.506 9.393 835 HD1 TRP 103 HD TRP 103 8.291 -7.533 11.219 836 HE1 TRP 103 1HE TRP 103 6.743 -9.657 10.982 837 HE3 TRP 103 3HE TRP 103 5.173 -5.522 7.741 838 HZ2 TRP 103 2HZ TRP 103 4.439 -10.244 9.403 839 HZ3 TRP 103 3HZ TRP 103 3.300 -6.937 6.904 840 HH2 TRP 103 HH TRP 103 2.908 -9.222 7.679 841 H PHE 104 H PHE 104 6.689 -4.228 7.005 842 HA PHE 104 HA PHE 104 5.896 -6.337 5.552 843 HB2 PHE 104 1HB PHE 104 5.892 -3.410 5.430 844 HB3 PHE 104 2HB PHE 104 6.078 -4.028 3.801 845 HD1 PHE 104 2HD PHE 104 3.920 -4.288 6.813 846 HD2 PHE 104 1HD PHE 104 4.221 -4.816 2.613 847 HE1 PHE 104 2HE PHE 104 1.447 -4.700 6.687 848 HE2 PHE 104 1HE PHE 104 1.749 -5.228 2.487 849 HZ PHE 104 HZ PHE 104 0.391 -5.165 4.526 850 H LYS 105 H LYS 105 8.859 -4.400 5.060 851 HA LYS 105 HA LYS 105 9.398 -5.540 2.498 852 HB2 LYS 105 1HB LYS 105 10.128 -3.264 3.227 853 HB3 LYS 105 2HB LYS 105 11.232 -4.009 4.365 854 HG2 LYS 105 1HG LYS 105 11.541 -5.210 1.714 855 HG3 LYS 105 2HG LYS 105 11.708 -3.468 1.616 856 HD2 LYS 105 1HD LYS 105 13.205 -3.960 3.864 857 HD3 LYS 105 2HD LYS 105 13.446 -5.469 3.005 858 HE2 LYS 105 1HE LYS 105 14.145 -4.170 0.962 859 HE3 LYS 105 2HE LYS 105 13.952 -2.678 1.862 860 HZ1 LYS 105 1HZ LYS 105 15.965 -4.738 2.167 861 HZ2 LYS 105 2HZ LYS 105 16.126 -3.113 2.210 862 HZ3 LYS 105 3HZ LYS 105 15.525 -3.909 3.504 863 H LYS 106 H LYS 106 10.688 -5.978 5.859 864 HA LYS 106 HA LYS 106 12.581 -7.864 5.334 865 HB2 LYS 106 1HB LYS 106 11.123 -6.884 7.620 866 HB3 LYS 106 2HB LYS 106 11.309 -8.621 7.751 867 HG2 LYS 106 1HG LYS 106 13.534 -8.438 8.180 868 HG3 LYS 106 2HG LYS 106 13.789 -7.417 6.779 869 HD2 LYS 106 1HD LYS 106 12.363 -5.991 8.930 870 HD3 LYS 106 2HD LYS 106 13.910 -6.611 9.473 871 HE2 LYS 106 1HE LYS 106 14.913 -5.576 7.312 872 HE3 LYS 106 2HE LYS 106 13.384 -4.740 7.125 873 HZ1 LYS 106 1HZ LYS 106 13.708 -3.641 9.151 874 HZ2 LYS 106 2HZ LYS 106 14.954 -4.598 9.598 875 HZ3 LYS 106 3HZ LYS 106 15.140 -3.533 8.374 876 H PHE 107 H PHE 107 9.103 -8.515 6.176 877 HA PHE 107 HA PHE 107 9.205 -11.237 5.827 878 HB2 PHE 107 1HB PHE 107 7.356 -9.498 6.641 879 HB3 PHE 107 2HB PHE 107 6.889 -9.433 4.953 880 HD1 PHE 107 1HD PHE 107 6.121 -11.556 3.824 881 HD2 PHE 107 2HD PHE 107 6.666 -11.284 8.023 882 HE1 PHE 107 1HE PHE 107 4.689 -13.593 4.141 883 HE2 PHE 107 2HE PHE 107 5.234 -13.321 8.341 884 HZ PHE 107 HZ PHE 107 4.263 -14.451 6.396 885 H PHE 108 H PHE 108 8.445 -8.651 3.401 886 HA PHE 108 HA PHE 108 7.789 -10.286 1.298 887 HB2 PHE 108 1HB PHE 108 8.889 -7.541 1.814 888 HB3 PHE 108 2HB PHE 108 9.219 -8.134 0.198 889 HD1 PHE 108 2HD PHE 108 6.257 -8.339 2.475 890 HD2 PHE 108 1HD PHE 108 7.765 -7.234 -1.335 891 HE1 PHE 108 2HE PHE 108 3.948 -7.665 1.757 892 HE2 PHE 108 1HE PHE 108 5.456 -6.561 -2.053 893 HZ PHE 108 HZ PHE 108 3.575 -6.784 -0.499 894 H ASP 109 H ASP 109 10.946 -9.640 2.759 895 HA ASP 109 HA ASP 109 12.212 -10.931 0.487 896 HB2 ASP 109 1HB ASP 109 12.942 -8.736 2.121 897 HB3 ASP 109 2HB ASP 109 13.997 -10.035 2.643 898 H SER 110 H SER 110 10.528 -12.308 2.572 899 HA SER 110 HA SER 110 12.627 -13.869 3.864 900 HB2 SER 110 1HB SER 110 10.853 -12.580 5.280 901 HB3 SER 110 2HB SER 110 9.720 -13.803 4.741 902 HG SER 110 HG SER 110 12.156 -14.216 6.249 903 H GLY 111 H GLY 111 11.772 -16.261 4.316 904 HA2 GLY 111 1HA GLY 111 10.275 -17.974 3.508 905 HA3 GLY 111 2HA GLY 111 10.271 -17.187 1.942 906 HA PRO 112 HA PRO 112 13.847 -20.190 2.424 907 HB2 PRO 112 1HB PRO 112 12.769 -22.648 1.906 908 HB3 PRO 112 2HB PRO 112 13.099 -22.069 3.527 909 HG2 PRO 112 1HG PRO 112 10.500 -22.311 2.139 910 HG3 PRO 112 2HG PRO 112 10.818 -22.149 3.855 911 HD2 PRO 112 1HD PRO 112 9.886 -20.097 2.080 912 HD3 PRO 112 2HD PRO 112 10.314 -19.907 3.769 913 H SER 113 H SER 113 15.042 -21.346 0.730 914 HA SER 113 HA SER 113 15.653 -21.513 -1.344 915 HB2 SER 113 1HB SER 113 12.717 -22.025 -1.511 916 HB3 SER 113 2HB SER 113 13.495 -21.642 -3.034 917 HG SER 113 HG SER 113 13.420 -24.009 -2.015 918 H SER 114 H SER 114 16.567 -19.355 -1.360 919 HA SER 114 HA SER 114 14.972 -17.532 -2.976 920 HB2 SER 114 1HB SER 114 15.519 -17.066 -0.323 921 HB3 SER 114 2HB SER 114 16.908 -16.302 -1.070 922 HG SER 114 HG SER 114 14.168 -15.588 -1.184 923 H GLY 115 H GLY 115 16.216 -16.212 -4.475 924 HA2 GLY 115 1HA GLY 115 19.077 -16.424 -4.567 925 HA3 GLY 115 2HA GLY 115 18.288 -17.414 -5.779 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 24.998 5.245 -0.492 2 HA2 GLY 1 1HA GLY 1 26.081 4.035 -2.890 3 HA3 GLY 1 2HA GLY 1 24.334 4.162 -2.862 4 H SER 2 H SER 2 23.367 6.368 -2.388 5 HA SER 2 HA SER 2 25.121 8.381 -3.552 6 HB2 SER 2 1HB SER 2 22.668 7.540 -4.450 7 HB3 SER 2 2HB SER 2 22.180 8.879 -3.429 8 HG SER 2 HG SER 2 23.815 8.896 -5.782 9 H SER 3 H SER 3 24.721 10.686 -2.753 10 HA SER 3 HA SER 3 24.676 12.148 -1.151 11 HB2 SER 3 1HB SER 3 22.247 10.631 -0.801 12 HB3 SER 3 2HB SER 3 22.846 11.064 0.788 13 HG SER 3 HG SER 3 22.937 13.299 0.098 14 H GLY 4 H GLY 4 25.573 12.625 0.990 15 HA2 GLY 4 1HA GLY 4 27.218 10.440 1.987 16 HA3 GLY 4 2HA GLY 4 27.339 12.143 2.385 17 H SER 5 H SER 5 26.723 12.701 4.424 18 HA SER 5 HA SER 5 25.726 12.689 6.351 19 HB2 SER 5 1HB SER 5 23.538 11.068 4.975 20 HB3 SER 5 2HB SER 5 23.384 11.810 6.555 21 HG SER 5 HG SER 5 22.987 12.939 4.116 22 H SER 6 H SER 6 25.316 11.312 8.305 23 HA SER 6 HA SER 6 26.719 8.813 7.980 24 HB2 SER 6 1HB SER 6 25.859 10.352 10.470 25 HB3 SER 6 2HB SER 6 26.761 8.850 10.507 26 HG SER 6 HG SER 6 28.542 9.847 9.554 27 H GLY 7 H GLY 7 23.646 10.129 9.396 28 HA2 GLY 7 1HA GLY 7 22.513 7.401 9.201 29 HA3 GLY 7 2HA GLY 7 22.153 8.512 10.508 30 H GLN 8 H GLN 8 20.118 7.384 8.869 31 HA GLN 8 HA GLN 8 18.692 9.636 8.231 32 HB2 GLN 8 1HB GLN 8 20.529 8.965 6.149 33 HB3 GLN 8 2HB GLN 8 18.941 8.502 5.571 34 HG2 GLN 8 1HG GLN 8 19.603 11.238 6.759 35 HG3 GLN 8 2HG GLN 8 19.557 10.896 5.041 36 HE21 GLN 8 1HE2 GLN 8 17.922 12.413 4.757 37 HE22 GLN 8 2HE2 GLN 8 16.271 12.107 5.182 38 H ARG 9 H ARG 9 19.215 6.368 6.705 39 HA ARG 9 HA ARG 9 17.778 4.793 6.229 40 HB2 ARG 9 1HB ARG 9 17.712 5.267 9.155 41 HB3 ARG 9 2HB ARG 9 16.306 4.391 8.584 42 HG2 ARG 9 1HG ARG 9 18.408 3.151 7.210 43 HG3 ARG 9 2HG ARG 9 19.120 3.504 8.771 44 HD2 ARG 9 1HD ARG 9 16.911 2.488 9.773 45 HD3 ARG 9 2HD ARG 9 16.658 1.824 8.171 46 HE ARG 9 HE ARG 9 19.232 1.052 8.658 47 HH11 ARG 9 2HH2 ARG 9 16.325 0.839 10.629 48 HH12 ARG 9 1HH2 ARG 9 16.844 -0.586 11.467 49 HH21 ARG 9 2HH1 ARG 9 19.917 -0.828 9.762 50 HH22 ARG 9 1HH1 ARG 9 18.900 -1.541 10.970 51 H ARG 10 H ARG 10 16.325 5.678 4.678 52 HA ARG 10 HA ARG 10 13.672 5.869 5.537 53 HB2 ARG 10 1HB ARG 10 15.212 8.403 5.164 54 HB3 ARG 10 2HB ARG 10 13.674 8.359 4.326 55 HG2 ARG 10 1HG ARG 10 13.130 7.280 6.893 56 HG3 ARG 10 2HG ARG 10 14.209 8.628 7.194 57 HD2 ARG 10 1HD ARG 10 11.644 8.776 5.534 58 HD3 ARG 10 2HD ARG 10 11.802 9.326 7.190 59 HE ARG 10 HE ARG 10 12.754 10.706 4.807 60 HH11 ARG 10 2HH2 ARG 10 13.311 10.281 8.255 61 HH12 ARG 10 1HH2 ARG 10 14.088 11.817 8.449 62 HH21 ARG 10 2HH1 ARG 10 13.779 12.733 5.062 63 HH22 ARG 10 1HH1 ARG 10 14.356 13.221 6.620 64 H HIS 11 H HIS 11 15.740 7.409 2.953 65 HA HIS 11 HA HIS 11 13.997 6.847 0.880 66 HB2 HIS 11 1HB HIS 11 16.053 8.421 1.030 67 HB3 HIS 11 2HB HIS 11 16.987 7.023 0.539 68 HD1 HIS 11 1HD HIS 11 17.181 6.638 -1.932 69 HD2 HIS 11 2HD HIS 11 13.898 9.058 -0.952 70 HE1 HIS 11 1HE HIS 11 16.182 7.419 -4.147 71 H ASP 12 H ASP 12 15.961 4.733 2.767 72 HA ASP 12 HA ASP 12 16.770 2.880 0.945 73 HB2 ASP 12 1HB ASP 12 17.416 2.763 3.295 74 HB3 ASP 12 2HB ASP 12 15.750 2.568 3.802 75 H MET 13 H MET 13 13.672 3.066 2.856 76 HA MET 13 HA MET 13 12.570 0.822 1.551 77 HB2 MET 13 1HB MET 13 11.138 3.055 3.090 78 HB3 MET 13 2HB MET 13 10.544 1.425 2.841 79 HG2 MET 13 1HG MET 13 12.977 2.246 4.496 80 HG3 MET 13 2HG MET 13 11.470 1.589 5.104 81 HE1 MET 13 1HE MET 13 10.427 -0.313 3.979 82 HE2 MET 13 2HE MET 13 11.228 -1.366 2.789 83 HE3 MET 13 3HE MET 13 11.219 -1.816 4.512 84 H LEU 14 H LEU 14 11.919 4.395 1.395 85 HA LEU 14 HA LEU 14 9.913 4.501 -0.369 86 HB2 LEU 14 1HB LEU 14 12.323 6.269 -0.688 87 HB3 LEU 14 2HB LEU 14 10.636 6.659 -0.955 88 HG LEU 14 HG LEU 14 12.146 6.424 1.630 89 HD11 LEU 14 1HD1 LEU 14 10.734 8.546 2.035 90 HD12 LEU 14 2HD1 LEU 14 12.088 8.627 0.883 91 HD13 LEU 14 3HD1 LEU 14 10.417 8.489 0.285 92 HD21 LEU 14 1HD2 LEU 14 9.628 6.756 2.549 93 HD22 LEU 14 2HD2 LEU 14 9.322 5.657 1.183 94 HD23 LEU 14 3HD2 LEU 14 10.459 5.185 2.468 95 H ALA 15 H ALA 15 13.390 3.938 -1.182 96 HA ALA 15 HA ALA 15 12.964 3.826 -3.957 97 HB1 ALA 15 1HB ALA 15 15.146 4.216 -2.783 98 HB2 ALA 15 2HB ALA 15 15.141 2.507 -2.288 99 HB3 ALA 15 3HB ALA 15 15.225 2.933 -4.014 100 H TRP 16 H TRP 16 13.105 1.305 -1.362 101 HA TRP 16 HA TRP 16 12.990 -0.956 -2.829 102 HB2 TRP 16 1HB TRP 16 13.088 -0.824 -0.375 103 HB3 TRP 16 2HB TRP 16 11.399 -0.360 -0.328 104 HD1 TRP 16 HD TRP 16 13.397 -3.399 -1.797 105 HE1 TRP 16 1HE TRP 16 12.068 -5.644 -1.404 106 HE3 TRP 16 3HE TRP 16 9.371 -1.240 0.435 107 HZ2 TRP 16 2HZ TRP 16 9.538 -6.252 -0.231 108 HZ3 TRP 16 3HZ TRP 16 7.515 -2.730 1.175 109 HH2 TRP 16 HH TRP 16 7.554 -5.156 0.873 110 H ILE 17 H ILE 17 9.982 0.602 -1.497 111 HA ILE 17 HA ILE 17 8.217 -0.737 -3.103 112 HB ILE 17 HB ILE 17 8.173 1.877 -1.656 113 HG12 ILE 17 1HG1 ILE 17 6.047 0.135 -0.960 114 HG13 ILE 17 2HG1 ILE 17 7.476 -0.867 -1.121 115 HG21 ILE 17 1HG2 ILE 17 5.648 1.877 -2.237 116 HG22 ILE 17 2HG2 ILE 17 6.808 2.554 -3.406 117 HG23 ILE 17 3HG2 ILE 17 6.140 0.923 -3.656 118 HD11 ILE 17 1HD1 ILE 17 8.736 0.653 0.393 119 HD12 ILE 17 2HD1 ILE 17 7.293 1.685 0.548 120 HD13 ILE 17 3HD1 ILE 17 7.271 0.023 1.183 121 H ASN 18 H ASN 18 9.553 2.599 -3.671 122 HA ASN 18 HA ASN 18 8.428 3.148 -6.005 123 HB2 ASN 18 1HB ASN 18 11.287 3.601 -5.049 124 HB3 ASN 18 2HB ASN 18 10.763 4.228 -6.600 125 HD21 ASN 18 1HD2 ASN 18 11.612 5.958 -4.744 126 HD22 ASN 18 2HD2 ASN 18 10.315 6.897 -4.084 127 H GLU 19 H GLU 19 11.874 1.997 -6.026 128 HA GLU 19 HA GLU 19 12.041 1.217 -8.551 129 HB2 GLU 19 1HB GLU 19 13.479 0.701 -6.119 130 HB3 GLU 19 2HB GLU 19 13.372 -0.817 -6.989 131 HG2 GLU 19 1HG GLU 19 14.015 1.505 -8.727 132 HG3 GLU 19 2HG GLU 19 15.223 1.197 -7.496 133 H SER 20 H SER 20 11.350 -1.205 -5.918 134 HA SER 20 HA SER 20 10.776 -3.328 -7.358 135 HB2 SER 20 1HB SER 20 9.145 -2.303 -4.993 136 HB3 SER 20 2HB SER 20 9.087 -3.951 -5.586 137 HG SER 20 HG SER 20 10.973 -4.396 -4.647 138 H LEU 21 H LEU 21 8.665 -0.451 -6.953 139 HA LEU 21 HA LEU 21 6.837 -1.642 -8.922 140 HB2 LEU 21 1HB LEU 21 6.244 0.404 -6.779 141 HB3 LEU 21 2HB LEU 21 5.104 -0.198 -7.966 142 HG LEU 21 HG LEU 21 6.472 -1.938 -5.897 143 HD11 LEU 21 1HD1 LEU 21 5.145 -0.520 -4.602 144 HD12 LEU 21 2HD1 LEU 21 3.848 -0.458 -5.821 145 HD13 LEU 21 3HD1 LEU 21 4.111 -1.943 -4.876 146 HD21 LEU 21 1HD2 LEU 21 5.840 -3.408 -7.555 147 HD22 LEU 21 2HD2 LEU 21 4.389 -3.392 -6.524 148 HD23 LEU 21 3HD2 LEU 21 4.422 -2.441 -8.029 149 H GLN 22 H GLN 22 5.841 1.449 -8.621 150 HA GLN 22 HA GLN 22 7.908 2.605 -10.264 151 HB2 GLN 22 1HB GLN 22 5.155 1.881 -11.232 152 HB3 GLN 22 2HB GLN 22 5.830 3.400 -11.786 153 HG2 GLN 22 1HG GLN 22 7.754 1.144 -11.913 154 HG3 GLN 22 2HG GLN 22 6.336 0.905 -12.915 155 HE21 GLN 22 1HE2 GLN 22 6.962 1.315 -14.906 156 HE22 GLN 22 2HE2 GLN 22 7.745 2.752 -15.472 157 H LEU 23 H LEU 23 7.330 3.215 -7.609 158 HA LEU 23 HA LEU 23 5.620 5.582 -7.745 159 HB2 LEU 23 1HB LEU 23 6.710 3.993 -5.421 160 HB3 LEU 23 2HB LEU 23 5.827 5.497 -5.250 161 HG LEU 23 HG LEU 23 4.259 3.799 -4.844 162 HD11 LEU 23 1HD1 LEU 23 3.801 4.478 -7.757 163 HD12 LEU 23 2HD1 LEU 23 2.584 4.108 -6.512 164 HD13 LEU 23 3HD1 LEU 23 3.527 5.614 -6.415 165 HD21 LEU 23 1HD2 LEU 23 4.804 1.731 -5.474 166 HD22 LEU 23 2HD2 LEU 23 4.038 2.123 -7.032 167 HD23 LEU 23 3HD2 LEU 23 5.797 2.312 -6.833 168 H ASN 24 H ASN 24 6.767 7.086 -5.661 169 HA ASN 24 HA ASN 24 9.535 7.368 -6.098 170 HB2 ASN 24 1HB ASN 24 8.208 8.512 -8.143 171 HB3 ASN 24 2HB ASN 24 7.967 9.806 -6.986 172 HD21 ASN 24 1HD2 ASN 24 9.242 11.284 -7.975 173 HD22 ASN 24 2HD2 ASN 24 10.966 11.177 -8.096 174 H LEU 25 H LEU 25 7.774 6.984 -3.845 175 HA LEU 25 HA LEU 25 6.943 9.321 -2.604 176 HB2 LEU 25 1HB LEU 25 7.943 6.847 -1.204 177 HB3 LEU 25 2HB LEU 25 6.772 8.015 -0.626 178 HG LEU 25 HG LEU 25 6.402 6.011 -2.864 179 HD11 LEU 25 1HD1 LEU 25 4.421 5.427 -1.243 180 HD12 LEU 25 2HD1 LEU 25 6.062 4.810 -0.936 181 HD13 LEU 25 3HD1 LEU 25 5.457 6.216 -0.029 182 HD21 LEU 25 1HD2 LEU 25 3.959 6.960 -2.689 183 HD22 LEU 25 2HD2 LEU 25 4.793 8.425 -2.119 184 HD23 LEU 25 3HD2 LEU 25 5.174 7.751 -3.722 185 H THR 26 H THR 26 7.901 10.740 -1.102 186 HA THR 26 HA THR 26 10.838 10.703 -1.202 187 HB THR 26 HB THR 26 9.871 12.714 -2.167 188 HG1 THR 26 1HG THR 26 10.304 13.429 0.611 189 HG21 THR 26 1HG2 THR 26 8.093 12.597 0.292 190 HG22 THR 26 2HG2 THR 26 8.485 14.175 -0.433 191 HG23 THR 26 3HG2 THR 26 7.640 12.939 -1.396 192 H LYS 27 H LYS 27 8.038 10.413 0.908 193 HA LYS 27 HA LYS 27 9.920 10.179 3.146 194 HB2 LYS 27 1HB LYS 27 7.152 11.395 3.343 195 HB3 LYS 27 2HB LYS 27 8.341 11.254 4.622 196 HG2 LYS 27 1HG LYS 27 9.302 12.635 2.153 197 HG3 LYS 27 2HG LYS 27 8.040 13.478 3.029 198 HD2 LYS 27 1HD LYS 27 9.359 13.760 4.952 199 HD3 LYS 27 2HD LYS 27 10.345 12.351 4.616 200 HE2 LYS 27 1HE LYS 27 11.656 13.490 2.989 201 HE3 LYS 27 2HE LYS 27 10.445 14.731 2.738 202 HZ1 LYS 27 1HZ LYS 27 12.384 14.487 4.864 203 HZ2 LYS 27 2HZ LYS 27 11.851 15.822 4.090 204 HZ3 LYS 27 3HZ LYS 27 10.940 15.139 5.260 205 H ILE 28 H ILE 28 8.968 8.812 4.967 206 HA ILE 28 HA ILE 28 7.986 6.409 3.787 207 HB ILE 28 HB ILE 28 8.770 7.276 6.552 208 HG12 ILE 28 1HG1 ILE 28 10.360 6.586 4.562 209 HG13 ILE 28 2HG1 ILE 28 10.693 6.097 6.211 210 HG21 ILE 28 1HG2 ILE 28 6.932 5.847 7.008 211 HG22 ILE 28 2HG2 ILE 28 7.426 4.688 5.750 212 HG23 ILE 28 3HG2 ILE 28 8.405 4.871 7.226 213 HD11 ILE 28 1HD1 ILE 28 10.930 4.159 4.732 214 HD12 ILE 28 2HD1 ILE 28 9.511 3.917 5.779 215 HD13 ILE 28 3HD1 ILE 28 9.292 4.415 4.084 216 H GLU 29 H GLU 29 6.638 9.178 5.562 217 HA GLU 29 HA GLU 29 4.286 7.985 6.372 218 HB2 GLU 29 1HB GLU 29 5.450 10.540 6.486 219 HB3 GLU 29 2HB GLU 29 3.972 10.801 5.582 220 HG2 GLU 29 1HG GLU 29 3.066 9.141 7.600 221 HG3 GLU 29 2HG GLU 29 4.335 10.017 8.434 222 H GLN 30 H GLN 30 5.456 8.658 3.206 223 HA GLN 30 HA GLN 30 3.099 9.346 1.928 224 HB2 GLN 30 1HB GLN 30 5.704 8.084 1.058 225 HB3 GLN 30 2HB GLN 30 4.380 8.179 -0.087 226 HG2 GLN 30 1HG GLN 30 5.067 10.669 1.470 227 HG3 GLN 30 2HG GLN 30 6.162 10.180 0.192 228 HE21 GLN 30 1HE2 GLN 30 5.692 11.907 -1.106 229 HE22 GLN 30 2HE2 GLN 30 4.197 12.099 -1.960 230 H LEU 31 H LEU 31 3.996 6.443 3.519 231 HA LEU 31 HA LEU 31 2.324 4.777 1.820 232 HB2 LEU 31 1HB LEU 31 3.648 3.824 4.322 233 HB3 LEU 31 2HB LEU 31 3.287 2.955 2.844 234 HG LEU 31 HG LEU 31 5.213 5.141 2.461 235 HD11 LEU 31 1HD1 LEU 31 5.589 4.054 4.863 236 HD12 LEU 31 2HD1 LEU 31 6.406 2.811 3.884 237 HD13 LEU 31 3HD1 LEU 31 6.941 4.507 3.796 238 HD21 LEU 31 1HD2 LEU 31 4.464 2.982 1.038 239 HD22 LEU 31 2HD2 LEU 31 6.046 3.779 0.863 240 HD23 LEU 31 3HD2 LEU 31 5.892 2.316 1.867 241 H CYS 32 H CYS 32 1.187 7.080 3.311 242 HA CYS 32 HA CYS 32 -0.281 5.763 5.434 243 HB2 CYS 32 1HB CYS 32 -1.167 8.006 5.925 244 HB3 CYS 32 2HB CYS 32 0.586 7.983 5.918 245 HG CYS 32 HG CYS 32 -1.599 9.374 3.976 246 H SER 33 H SER 33 -0.470 5.232 2.377 247 HA SER 33 HA SER 33 -3.282 5.938 2.085 248 HB2 SER 33 1HB SER 33 -2.743 5.262 -0.404 249 HB3 SER 33 2HB SER 33 -2.251 6.834 0.194 250 HG SER 33 HG SER 33 -0.124 6.166 0.354 251 H GLY 34 H GLY 34 -0.893 3.330 1.199 252 HA2 GLY 34 1HA GLY 34 -1.127 1.094 1.839 253 HA3 GLY 34 2HA GLY 34 -2.847 1.326 2.081 254 H ALA 35 H ALA 35 -0.684 2.157 -0.719 255 HA ALA 35 HA ALA 35 -2.428 0.459 -2.370 256 HB1 ALA 35 1HB ALA 35 -2.582 2.119 -3.931 257 HB2 ALA 35 2HB ALA 35 -2.251 3.167 -2.531 258 HB3 ALA 35 3HB ALA 35 -0.928 2.703 -3.627 259 H ALA 36 H ALA 36 0.874 1.961 -2.134 260 HA ALA 36 HA ALA 36 2.217 0.577 -3.985 261 HB1 ALA 36 1HB ALA 36 3.446 2.138 -2.755 262 HB2 ALA 36 2HB ALA 36 2.922 1.472 -1.190 263 HB3 ALA 36 3HB ALA 36 4.120 0.597 -2.173 264 H TYR 37 H TYR 37 1.717 -0.608 -0.579 265 HA TYR 37 HA TYR 37 2.861 -3.050 -0.792 266 HB2 TYR 37 1HB TYR 37 0.117 -2.402 0.446 267 HB3 TYR 37 2HB TYR 37 1.238 -3.618 1.025 268 HD1 TYR 37 1HD TYR 37 3.766 -2.432 1.366 269 HD2 TYR 37 2HD TYR 37 -0.061 -0.585 1.863 270 HE1 TYR 37 1HE TYR 37 4.787 -0.728 2.952 271 HE2 TYR 37 2HE TYR 37 0.973 1.114 3.447 272 HH TYR 37 HH TYR 37 4.462 1.066 4.113 273 H CYS 38 H CYS 38 -0.562 -2.213 -1.670 274 HA CYS 38 HA CYS 38 -1.423 -4.699 -2.342 275 HB2 CYS 38 1HB CYS 38 -2.199 -1.945 -2.992 276 HB3 CYS 38 2HB CYS 38 -2.618 -3.081 -4.258 277 HG CYS 38 HG CYS 38 -3.678 -2.679 -1.244 278 H GLN 39 H GLN 39 0.180 -2.231 -4.488 279 HA GLN 39 HA GLN 39 0.241 -3.712 -6.761 280 HB2 GLN 39 1HB GLN 39 1.338 -1.278 -5.844 281 HB3 GLN 39 2HB GLN 39 2.722 -2.192 -6.408 282 HG2 GLN 39 1HG GLN 39 0.879 -2.685 -8.424 283 HG3 GLN 39 2HG GLN 39 0.452 -1.052 -7.954 284 HE21 GLN 39 1HE2 GLN 39 2.419 -2.924 -9.849 285 HE22 GLN 39 2HE2 GLN 39 3.663 -1.789 -10.252 286 H PHE 40 H PHE 40 2.896 -3.451 -4.281 287 HA PHE 40 HA PHE 40 4.689 -5.158 -5.325 288 HB2 PHE 40 1HB PHE 40 3.995 -3.971 -2.810 289 HB3 PHE 40 2HB PHE 40 4.180 -5.678 -2.455 290 HD1 PHE 40 1HD PHE 40 6.370 -6.473 -4.229 291 HD2 PHE 40 2HD PHE 40 5.876 -2.926 -1.952 292 HE1 PHE 40 1HE PHE 40 8.862 -6.185 -4.136 293 HE2 PHE 40 2HE PHE 40 8.367 -2.638 -1.860 294 HZ PHE 40 HZ PHE 40 9.831 -4.271 -2.953 295 H MET 41 H MET 41 1.818 -6.081 -3.308 296 HA MET 41 HA MET 41 2.356 -8.761 -3.194 297 HB2 MET 41 1HB MET 41 -0.097 -7.004 -3.044 298 HB3 MET 41 2HB MET 41 -0.382 -8.725 -3.214 299 HG2 MET 41 1HG MET 41 1.355 -7.447 -1.045 300 HG3 MET 41 2HG MET 41 -0.289 -8.008 -0.812 301 HE1 MET 41 1HE MET 41 -0.099 -11.357 0.174 302 HE2 MET 41 2HE MET 41 -1.012 -9.897 -0.279 303 HE3 MET 41 3HE MET 41 -0.704 -11.165 -1.490 304 H ASP 42 H ASP 42 0.094 -7.074 -5.501 305 HA ASP 42 HA ASP 42 -0.672 -9.131 -6.985 306 HB2 ASP 42 1HB ASP 42 -1.536 -7.040 -7.627 307 HB3 ASP 42 2HB ASP 42 0.043 -6.280 -7.660 308 H MET 43 H MET 43 2.452 -7.315 -7.208 309 HA MET 43 HA MET 43 3.402 -8.566 -9.483 310 HB2 MET 43 1HB MET 43 4.258 -6.608 -7.645 311 HB3 MET 43 2HB MET 43 5.447 -7.879 -7.435 312 HG2 MET 43 1HG MET 43 5.801 -7.902 -9.946 313 HG3 MET 43 2HG MET 43 4.695 -6.550 -10.084 314 HE1 MET 43 1HE MET 43 7.179 -6.522 -6.779 315 HE2 MET 43 2HE MET 43 7.394 -7.891 -7.897 316 HE3 MET 43 3HE MET 43 8.639 -6.623 -7.791 317 H LEU 44 H LEU 44 3.495 -9.495 -6.022 318 HA LEU 44 HA LEU 44 5.239 -11.725 -6.577 319 HB2 LEU 44 1HB LEU 44 3.829 -10.815 -4.065 320 HB3 LEU 44 2HB LEU 44 4.921 -12.182 -4.156 321 HG LEU 44 HG LEU 44 5.752 -9.367 -4.890 322 HD11 LEU 44 1HD1 LEU 44 5.037 -9.290 -2.592 323 HD12 LEU 44 2HD1 LEU 44 5.958 -10.764 -2.210 324 HD13 LEU 44 3HD1 LEU 44 6.816 -9.267 -2.648 325 HD21 LEU 44 1HD2 LEU 44 7.619 -11.507 -3.949 326 HD22 LEU 44 2HD2 LEU 44 7.014 -11.559 -5.622 327 HD23 LEU 44 3HD2 LEU 44 7.906 -10.132 -5.042 328 H PHE 45 H PHE 45 1.952 -11.435 -5.044 329 HA PHE 45 HA PHE 45 1.333 -14.005 -6.317 330 HB2 PHE 45 1HB PHE 45 0.028 -12.584 -3.924 331 HB3 PHE 45 2HB PHE 45 -0.234 -14.250 -4.397 332 HD1 PHE 45 1HD PHE 45 2.113 -11.918 -2.817 333 HD2 PHE 45 2HD PHE 45 1.367 -15.969 -3.837 334 HE1 PHE 45 1HE PHE 45 3.957 -12.646 -1.277 335 HE2 PHE 45 2HE PHE 45 3.211 -16.696 -2.298 336 HZ PHE 45 HZ PHE 45 4.484 -15.026 -1.036 337 HA PRO 46 HA PRO 46 -1.461 -11.402 -8.542 338 HB2 PRO 46 1HB PRO 46 -1.874 -13.110 -10.635 339 HB3 PRO 46 2HB PRO 46 -0.571 -11.939 -10.597 340 HG2 PRO 46 1HG PRO 46 -0.445 -14.866 -10.200 341 HG3 PRO 46 2HG PRO 46 0.853 -13.753 -10.585 342 HD2 PRO 46 1HD PRO 46 0.302 -14.929 -8.028 343 HD3 PRO 46 2HD PRO 46 1.527 -13.729 -8.388 344 H GLY 47 H GLY 47 -3.481 -11.048 -7.901 345 HA2 GLY 47 1HA GLY 47 -5.730 -11.777 -7.974 346 HA3 GLY 47 2HA GLY 47 -5.201 -13.438 -7.789 347 H SER 48 H SER 48 -3.116 -12.411 -5.695 348 HA SER 48 HA SER 48 -4.586 -13.078 -3.476 349 HB2 SER 48 1HB SER 48 -2.630 -12.340 -2.184 350 HB3 SER 48 2HB SER 48 -2.114 -13.204 -3.619 351 HG SER 48 HG SER 48 -1.564 -11.242 -4.633 352 H ILE 49 H ILE 49 -4.036 -9.957 -5.095 353 HA ILE 49 HA ILE 49 -5.655 -8.681 -3.001 354 HB ILE 49 HB ILE 49 -3.967 -6.973 -4.706 355 HG12 ILE 49 1HG1 ILE 49 -2.547 -9.037 -4.240 356 HG13 ILE 49 2HG1 ILE 49 -1.881 -7.485 -3.769 357 HG21 ILE 49 1HG2 ILE 49 -4.962 -5.730 -3.084 358 HG22 ILE 49 2HG2 ILE 49 -4.998 -7.070 -1.913 359 HG23 ILE 49 3HG2 ILE 49 -3.482 -6.185 -2.207 360 HD11 ILE 49 1HD1 ILE 49 -3.506 -9.056 -1.758 361 HD12 ILE 49 2HD1 ILE 49 -1.813 -9.508 -2.071 362 HD13 ILE 49 3HD1 ILE 49 -2.203 -7.877 -1.474 363 H ALA 50 H ALA 50 -6.364 -6.351 -4.305 364 HA ALA 50 HA ALA 50 -7.673 -7.314 -6.751 365 HB1 ALA 50 1HB ALA 50 -8.864 -6.560 -4.213 366 HB2 ALA 50 2HB ALA 50 -9.393 -5.451 -5.501 367 HB3 ALA 50 3HB ALA 50 -9.644 -7.204 -5.677 368 H LEU 51 H LEU 51 -5.443 -6.148 -7.326 369 HA LEU 51 HA LEU 51 -5.002 -3.503 -7.057 370 HB2 LEU 51 1HB LEU 51 -4.132 -5.609 -8.734 371 HB3 LEU 51 2HB LEU 51 -4.484 -4.247 -9.779 372 HG LEU 51 HG LEU 51 -2.531 -4.351 -7.473 373 HD11 LEU 51 1HD1 LEU 51 -2.110 -3.733 -10.409 374 HD12 LEU 51 2HD1 LEU 51 -0.859 -3.871 -9.150 375 HD13 LEU 51 3HD1 LEU 51 -1.798 -5.304 -9.634 376 HD21 LEU 51 1HD2 LEU 51 -2.821 -2.182 -7.113 377 HD22 LEU 51 2HD2 LEU 51 -2.285 -1.870 -8.781 378 HD23 LEU 51 3HD2 LEU 51 -4.017 -2.076 -8.427 379 H LYS 52 H LYS 52 -7.602 -5.078 -8.848 380 HA LYS 52 HA LYS 52 -8.274 -2.604 -10.206 381 HB2 LYS 52 1HB LYS 52 -9.649 -3.868 -11.560 382 HB3 LYS 52 2HB LYS 52 -8.374 -5.010 -11.186 383 HG2 LYS 52 1HG LYS 52 -9.978 -6.423 -10.424 384 HG3 LYS 52 2HG LYS 52 -10.196 -5.338 -9.065 385 HD2 LYS 52 1HD LYS 52 -11.709 -3.993 -10.852 386 HD3 LYS 52 2HD LYS 52 -11.830 -5.580 -11.585 387 HE2 LYS 52 1HE LYS 52 -12.479 -6.460 -9.234 388 HE3 LYS 52 2HE LYS 52 -12.643 -4.782 -8.757 389 HZ1 LYS 52 1HZ LYS 52 -14.710 -5.762 -9.543 390 HZ2 LYS 52 2HZ LYS 52 -14.273 -4.481 -10.456 391 HZ3 LYS 52 3HZ LYS 52 -14.063 -5.997 -11.025 392 H LYS 53 H LYS 53 -8.241 -2.295 -7.421 393 HA LYS 53 HA LYS 53 -10.939 -1.469 -7.016 394 HB2 LYS 53 1HB LYS 53 -10.623 -4.051 -6.337 395 HB3 LYS 53 2HB LYS 53 -10.052 -3.317 -4.853 396 HG2 LYS 53 1HG LYS 53 -12.122 -2.205 -4.452 397 HG3 LYS 53 2HG LYS 53 -12.639 -2.360 -6.119 398 HD2 LYS 53 1HD LYS 53 -13.901 -3.980 -4.847 399 HD3 LYS 53 2HD LYS 53 -12.732 -4.881 -5.791 400 HE2 LYS 53 1HE LYS 53 -11.218 -5.026 -3.820 401 HE3 LYS 53 2HE LYS 53 -12.338 -4.068 -2.871 402 HZ1 LYS 53 1HZ LYS 53 -13.368 -5.936 -2.395 403 HZ2 LYS 53 2HZ LYS 53 -13.788 -6.135 -3.961 404 HZ3 LYS 53 3HZ LYS 53 -12.413 -6.807 -3.392 405 H VAL 54 H VAL 54 -7.683 -2.146 -5.612 406 HA VAL 54 HA VAL 54 -7.705 -0.415 -3.517 407 HB VAL 54 HB VAL 54 -5.900 -1.929 -3.971 408 HG11 VAL 54 1HG1 VAL 54 -4.964 -0.183 -6.255 409 HG12 VAL 54 2HG1 VAL 54 -4.425 -1.818 -5.806 410 HG13 VAL 54 3HG1 VAL 54 -6.041 -1.576 -6.511 411 HG21 VAL 54 1HG2 VAL 54 -5.334 -0.029 -2.584 412 HG22 VAL 54 2HG2 VAL 54 -3.948 -0.416 -3.631 413 HG23 VAL 54 3HG2 VAL 54 -4.997 0.969 -4.019 414 H LYS 55 H LYS 55 -7.201 1.809 -3.192 415 HA LYS 55 HA LYS 55 -7.693 3.414 -5.593 416 HB2 LYS 55 1HB LYS 55 -8.342 3.762 -2.683 417 HB3 LYS 55 2HB LYS 55 -8.136 5.183 -3.686 418 HG2 LYS 55 1HG LYS 55 -9.823 3.040 -4.896 419 HG3 LYS 55 2HG LYS 55 -10.494 3.770 -3.451 420 HD2 LYS 55 1HD LYS 55 -10.314 6.019 -4.433 421 HD3 LYS 55 2HD LYS 55 -9.465 5.386 -5.829 422 HE2 LYS 55 1HE LYS 55 -11.584 5.406 -6.746 423 HE3 LYS 55 2HE LYS 55 -11.678 3.830 -5.987 424 HZ1 LYS 55 1HZ LYS 55 -12.325 5.810 -4.122 425 HZ2 LYS 55 2HZ LYS 55 -13.238 6.022 -5.459 426 HZ3 LYS 55 3HZ LYS 55 -13.256 4.589 -4.677 427 H PHE 56 H PHE 56 -5.624 3.565 -6.481 428 HA PHE 56 HA PHE 56 -3.368 4.103 -4.847 429 HB2 PHE 56 1HB PHE 56 -4.116 4.058 -7.805 430 HB3 PHE 56 2HB PHE 56 -2.557 4.719 -7.352 431 HD1 PHE 56 2HD PHE 56 -4.046 1.953 -5.464 432 HD2 PHE 56 1HD PHE 56 -1.340 3.012 -8.557 433 HE1 PHE 56 2HE PHE 56 -3.079 -0.363 -5.411 434 HE2 PHE 56 1HE PHE 56 -0.374 0.696 -8.504 435 HZ PHE 56 HZ PHE 56 -1.255 -0.963 -6.932 436 H GLN 57 H GLN 57 -5.699 6.063 -6.730 437 HA GLN 57 HA GLN 57 -4.104 8.415 -6.193 438 HB2 GLN 57 1HB GLN 57 -6.039 7.614 -8.225 439 HB3 GLN 57 2HB GLN 57 -6.506 9.148 -7.519 440 HG2 GLN 57 1HG GLN 57 -4.239 10.069 -7.964 441 HG3 GLN 57 2HG GLN 57 -3.720 8.525 -8.609 442 HE21 GLN 57 1HE2 GLN 57 -3.349 10.501 -10.236 443 HE22 GLN 57 2HE2 GLN 57 -4.507 10.586 -11.521 444 H ALA 58 H ALA 58 -5.142 7.155 -3.878 445 HA ALA 58 HA ALA 58 -7.581 8.547 -3.182 446 HB1 ALA 58 1HB ALA 58 -6.759 6.106 -2.559 447 HB2 ALA 58 2HB ALA 58 -5.908 6.959 -1.249 448 HB3 ALA 58 3HB ALA 58 -7.679 7.078 -1.386 449 H LYS 59 H LYS 59 -7.707 10.419 -2.006 450 HA LYS 59 HA LYS 59 -5.155 11.442 -0.968 451 HB2 LYS 59 1HB LYS 59 -7.091 12.609 -2.803 452 HB3 LYS 59 2HB LYS 59 -6.856 13.625 -1.396 453 HG2 LYS 59 1HG LYS 59 -4.446 12.436 -2.800 454 HG3 LYS 59 2HG LYS 59 -5.227 13.852 -3.475 455 HD2 LYS 59 1HD LYS 59 -4.715 14.005 -0.542 456 HD3 LYS 59 2HD LYS 59 -3.268 13.922 -1.527 457 HE2 LYS 59 1HE LYS 59 -4.507 15.785 -2.982 458 HE3 LYS 59 2HE LYS 59 -5.432 16.039 -1.516 459 HZ1 LYS 59 1HZ LYS 59 -3.127 16.094 -0.431 460 HZ2 LYS 59 2HZ LYS 59 -2.574 16.396 -1.938 461 HZ3 LYS 59 3HZ LYS 59 -3.647 17.412 -1.243 462 H LEU 60 H LEU 60 -8.608 10.801 -0.458 463 HA LEU 60 HA LEU 60 -8.632 12.175 2.067 464 HB2 LEU 60 1HB LEU 60 -10.732 10.249 1.147 465 HB3 LEU 60 2HB LEU 60 -10.894 11.680 2.145 466 HG LEU 60 HG LEU 60 -11.767 12.562 0.269 467 HD11 LEU 60 1HD1 LEU 60 -9.125 12.856 -1.043 468 HD12 LEU 60 2HD1 LEU 60 -10.341 14.080 -0.604 469 HD13 LEU 60 3HD1 LEU 60 -9.244 13.430 0.638 470 HD21 LEU 60 1HD2 LEU 60 -11.437 10.208 -0.819 471 HD22 LEU 60 2HD2 LEU 60 -11.761 11.631 -1.838 472 HD23 LEU 60 3HD2 LEU 60 -10.101 11.008 -1.682 473 H GLU 61 H GLU 61 -8.984 11.112 4.145 474 HA GLU 61 HA GLU 61 -7.217 8.975 4.466 475 HB2 GLU 61 1HB GLU 61 -8.659 10.822 6.127 476 HB3 GLU 61 2HB GLU 61 -8.991 9.212 6.735 477 HG2 GLU 61 1HG GLU 61 -7.002 9.529 7.849 478 HG3 GLU 61 2HG GLU 61 -6.315 8.953 6.343 479 H HIS 62 H HIS 62 -10.830 9.188 4.859 480 HA HIS 62 HA HIS 62 -11.452 6.699 5.525 481 HB2 HIS 62 1HB HIS 62 -13.566 7.000 4.457 482 HB3 HIS 62 2HB HIS 62 -13.035 8.553 5.069 483 HD1 HIS 62 1HD HIS 62 -14.057 6.818 1.968 484 HD2 HIS 62 2HD HIS 62 -12.090 10.378 2.994 485 HE1 HIS 62 1HE HIS 62 -14.086 8.279 -0.123 486 H GLU 63 H GLU 63 -10.306 7.772 2.299 487 HA GLU 63 HA GLU 63 -10.846 5.396 0.982 488 HB2 GLU 63 1HB GLU 63 -8.539 7.292 0.381 489 HB3 GLU 63 2HB GLU 63 -9.362 6.236 -0.750 490 HG2 GLU 63 1HG GLU 63 -11.276 7.983 0.623 491 HG3 GLU 63 2HG GLU 63 -10.018 8.926 -0.149 492 H TYR 64 H TYR 64 -7.694 6.618 2.342 493 HA TYR 64 HA TYR 64 -6.054 4.578 1.875 494 HB2 TYR 64 1HB TYR 64 -6.591 5.929 4.594 495 HB3 TYR 64 2HB TYR 64 -5.062 5.215 4.124 496 HD1 TYR 64 2HD TYR 64 -5.812 6.498 1.136 497 HD2 TYR 64 1HD TYR 64 -5.069 7.940 5.094 498 HE1 TYR 64 2HE TYR 64 -5.062 8.734 0.187 499 HE2 TYR 64 1HE TYR 64 -4.321 10.172 4.133 500 HH TYR 64 HH TYR 64 -3.603 10.581 0.879 501 H ILE 65 H ILE 65 -8.422 4.657 4.629 502 HA ILE 65 HA ILE 65 -7.813 2.339 5.856 503 HB ILE 65 HB ILE 65 -10.449 3.668 5.297 504 HG12 ILE 65 1HG1 ILE 65 -10.051 3.780 7.971 505 HG13 ILE 65 2HG1 ILE 65 -8.384 3.734 7.433 506 HG21 ILE 65 1HG2 ILE 65 -10.007 0.963 6.308 507 HG22 ILE 65 2HG2 ILE 65 -10.904 1.994 7.450 508 HG23 ILE 65 3HG2 ILE 65 -11.508 1.769 5.791 509 HD11 ILE 65 1HD1 ILE 65 -9.803 5.538 5.694 510 HD12 ILE 65 2HD1 ILE 65 -10.204 5.956 7.377 511 HD13 ILE 65 3HD1 ILE 65 -8.504 5.915 6.851 512 H GLN 66 H GLN 66 -10.257 2.573 3.169 513 HA GLN 66 HA GLN 66 -10.606 -0.102 2.868 514 HB2 GLN 66 1HB GLN 66 -10.791 2.223 0.933 515 HB3 GLN 66 2HB GLN 66 -11.119 0.592 0.382 516 HG2 GLN 66 1HG GLN 66 -12.601 0.664 2.715 517 HG3 GLN 66 2HG GLN 66 -12.714 2.335 2.200 518 HE21 GLN 66 1HE2 GLN 66 -14.946 1.975 1.868 519 HE22 GLN 66 2HE2 GLN 66 -15.544 1.209 0.434 520 H ASN 67 H ASN 67 -8.296 2.034 1.041 521 HA ASN 67 HA ASN 67 -7.183 0.380 -0.646 522 HB2 ASN 67 1HB ASN 67 -5.552 2.100 1.296 523 HB3 ASN 67 2HB ASN 67 -5.012 1.565 -0.283 524 HD21 ASN 67 1HD2 ASN 67 -4.710 3.701 -0.925 525 HD22 ASN 67 2HD2 ASN 67 -6.021 4.738 -1.380 526 H PHE 68 H PHE 68 -6.449 0.527 2.907 527 HA PHE 68 HA PHE 68 -4.548 -1.573 2.810 528 HB2 PHE 68 1HB PHE 68 -6.186 -0.062 4.904 529 HB3 PHE 68 2HB PHE 68 -5.212 -1.429 5.406 530 HD1 PHE 68 2HD PHE 68 -2.697 -1.356 4.755 531 HD2 PHE 68 1HD PHE 68 -5.225 2.052 4.776 532 HE1 PHE 68 2HE PHE 68 -0.685 0.136 4.916 533 HE2 PHE 68 1HE PHE 68 -3.213 3.544 4.937 534 HZ PHE 68 HZ PHE 68 -0.967 2.568 5.005 535 H LYS 69 H LYS 69 -8.024 -1.327 3.805 536 HA LYS 69 HA LYS 69 -8.457 -3.764 4.843 537 HB2 LYS 69 1HB LYS 69 -10.239 -2.265 2.899 538 HB3 LYS 69 2HB LYS 69 -10.762 -3.583 3.929 539 HG2 LYS 69 1HG LYS 69 -9.570 -2.010 5.813 540 HG3 LYS 69 2HG LYS 69 -10.032 -0.768 4.666 541 HD2 LYS 69 1HD LYS 69 -12.268 -1.001 5.116 542 HD3 LYS 69 2HD LYS 69 -12.180 -2.751 5.156 543 HE2 LYS 69 1HE LYS 69 -10.977 -2.477 7.448 544 HE3 LYS 69 2HE LYS 69 -11.498 -0.805 7.398 545 HZ1 LYS 69 1HZ LYS 69 -13.240 -3.167 7.305 546 HZ2 LYS 69 2HZ LYS 69 -13.108 -2.098 8.532 547 HZ3 LYS 69 3HZ LYS 69 -13.772 -1.635 7.114 548 H ILE 70 H ILE 70 -8.080 -2.958 1.353 549 HA ILE 70 HA ILE 70 -8.653 -5.581 0.473 550 HB ILE 70 HB ILE 70 -7.256 -3.236 -0.810 551 HG12 ILE 70 1HG1 ILE 70 -10.049 -4.350 -1.203 552 HG13 ILE 70 2HG1 ILE 70 -9.658 -2.953 -0.220 553 HG21 ILE 70 1HG2 ILE 70 -6.904 -5.817 -1.617 554 HG22 ILE 70 2HG2 ILE 70 -8.340 -5.345 -2.557 555 HG23 ILE 70 3HG2 ILE 70 -6.841 -4.394 -2.685 556 HD11 ILE 70 1HD1 ILE 70 -9.186 -1.607 -2.052 557 HD12 ILE 70 2HD1 ILE 70 -8.616 -2.973 -3.041 558 HD13 ILE 70 3HD1 ILE 70 -10.361 -2.713 -2.804 559 H LEU 71 H LEU 71 -5.541 -3.748 0.881 560 HA LEU 71 HA LEU 71 -3.852 -5.803 0.204 561 HB2 LEU 71 1HB LEU 71 -3.166 -3.498 0.479 562 HB3 LEU 71 2HB LEU 71 -3.491 -3.565 2.200 563 HG LEU 71 HG LEU 71 -1.048 -3.771 1.295 564 HD11 LEU 71 1HD1 LEU 71 -1.198 -5.866 3.259 565 HD12 LEU 71 2HD1 LEU 71 -0.643 -4.184 3.435 566 HD13 LEU 71 3HD1 LEU 71 -2.364 -4.581 3.656 567 HD21 LEU 71 1HD2 LEU 71 -1.888 -5.778 -0.179 568 HD22 LEU 71 2HD2 LEU 71 -0.268 -5.800 0.558 569 HD23 LEU 71 3HD2 LEU 71 -1.599 -6.715 1.307 570 H GLN 72 H GLN 72 -5.086 -4.924 3.506 571 HA GLN 72 HA GLN 72 -3.841 -6.838 4.920 572 HB2 GLN 72 1HB GLN 72 -6.046 -5.071 5.290 573 HB3 GLN 72 2HB GLN 72 -6.600 -6.646 5.820 574 HG2 GLN 72 1HG GLN 72 -3.872 -5.670 6.702 575 HG3 GLN 72 2HG GLN 72 -5.301 -5.044 7.500 576 HE21 GLN 72 1HE2 GLN 72 -3.025 -7.467 7.429 577 HE22 GLN 72 2HE2 GLN 72 -3.794 -8.660 8.422 578 H ALA 73 H ALA 73 -6.768 -7.177 2.861 579 HA ALA 73 HA ALA 73 -7.412 -9.787 3.667 580 HB1 ALA 73 1HB ALA 73 -9.073 -9.588 2.101 581 HB2 ALA 73 2HB ALA 73 -8.612 -7.871 2.182 582 HB3 ALA 73 3HB ALA 73 -7.982 -8.900 0.874 583 H GLY 74 H GLY 74 -5.079 -8.415 1.342 584 HA2 GLY 74 1HA GLY 74 -4.542 -10.621 -0.232 585 HA3 GLY 74 2HA GLY 74 -3.396 -9.367 0.197 586 H PHE 75 H PHE 75 -3.608 -9.906 3.149 587 HA PHE 75 HA PHE 75 -1.633 -11.966 3.223 588 HB2 PHE 75 1HB PHE 75 -3.116 -10.142 5.183 589 HB3 PHE 75 2HB PHE 75 -2.059 -11.397 5.800 590 HD1 PHE 75 1HD PHE 75 -0.917 -10.109 2.682 591 HD2 PHE 75 2HD PHE 75 -0.937 -9.344 6.855 592 HE1 PHE 75 1HE PHE 75 1.056 -8.581 2.411 593 HE2 PHE 75 2HE PHE 75 1.036 -7.816 6.585 594 HZ PHE 75 HZ PHE 75 2.009 -7.452 4.366 595 H LYS 76 H LYS 76 -4.940 -11.521 4.671 596 HA LYS 76 HA LYS 76 -5.083 -14.014 5.859 597 HB2 LYS 76 1HB LYS 76 -7.260 -13.472 6.327 598 HB3 LYS 76 2HB LYS 76 -6.605 -11.881 5.998 599 HG2 LYS 76 1HG LYS 76 -8.374 -11.717 4.548 600 HG3 LYS 76 2HG LYS 76 -7.326 -12.605 3.460 601 HD2 LYS 76 1HD LYS 76 -8.332 -14.759 4.551 602 HD3 LYS 76 2HD LYS 76 -9.565 -13.699 5.204 603 HE2 LYS 76 1HE LYS 76 -9.728 -12.849 2.668 604 HE3 LYS 76 2HE LYS 76 -9.006 -14.407 2.319 605 HZ1 LYS 76 1HZ LYS 76 -11.625 -13.934 2.807 606 HZ2 LYS 76 2HZ LYS 76 -10.909 -15.402 2.769 607 HZ3 LYS 76 3HZ LYS 76 -11.110 -14.628 4.193 608 H ARG 77 H ARG 77 -5.295 -13.046 2.481 609 HA ARG 77 HA ARG 77 -6.697 -15.328 1.645 610 HB2 ARG 77 1HB ARG 77 -5.059 -13.172 0.278 611 HB3 ARG 77 2HB ARG 77 -5.537 -14.583 -0.645 612 HG2 ARG 77 1HG ARG 77 -7.950 -14.096 0.309 613 HG3 ARG 77 2HG ARG 77 -7.314 -12.504 0.670 614 HD2 ARG 77 1HD ARG 77 -7.212 -11.886 -1.552 615 HD3 ARG 77 2HD ARG 77 -6.700 -13.476 -2.082 616 HE ARG 77 HE ARG 77 -9.434 -12.499 -1.945 617 HH11 ARG 77 2HH2 ARG 77 -7.467 -15.408 -1.724 618 HH12 ARG 77 1HH2 ARG 77 -8.754 -16.468 -2.195 619 HH21 ARG 77 2HH1 ARG 77 -11.132 -13.896 -2.566 620 HH22 ARG 77 1HH1 ARG 77 -10.853 -15.602 -2.677 621 H MET 78 H MET 78 -3.212 -14.365 1.797 622 HA MET 78 HA MET 78 -2.398 -16.866 0.689 623 HB2 MET 78 1HB MET 78 -1.060 -14.357 1.757 624 HB3 MET 78 2HB MET 78 -0.082 -15.799 1.568 625 HG2 MET 78 1HG MET 78 -1.819 -14.711 -0.693 626 HG3 MET 78 2HG MET 78 -0.165 -14.184 -0.452 627 HE1 MET 78 1HE MET 78 -0.687 -16.904 -3.440 628 HE2 MET 78 2HE MET 78 -2.194 -16.731 -2.510 629 HE3 MET 78 3HE MET 78 -1.252 -15.288 -2.954 630 H GLY 79 H GLY 79 -1.961 -15.177 3.884 631 HA2 GLY 79 1HA GLY 79 -2.643 -16.820 5.735 632 HA3 GLY 79 2HA GLY 79 -1.332 -17.789 5.092 633 H VAL 80 H VAL 80 -1.835 -14.255 5.823 634 HA VAL 80 HA VAL 80 0.644 -14.389 7.393 635 HB VAL 80 HB VAL 80 -0.284 -12.272 5.448 636 HG11 VAL 80 1HG1 VAL 80 0.713 -11.459 7.706 637 HG12 VAL 80 2HG1 VAL 80 2.254 -12.079 7.066 638 HG13 VAL 80 3HG1 VAL 80 1.374 -10.805 6.188 639 HG21 VAL 80 1HG2 VAL 80 0.930 -14.348 4.605 640 HG22 VAL 80 2HG2 VAL 80 1.661 -12.779 4.189 641 HG23 VAL 80 3HG2 VAL 80 2.351 -13.763 5.502 642 H ASP 81 H ASP 81 -0.170 -14.426 9.458 643 HA ASP 81 HA ASP 81 -2.493 -12.914 10.073 644 HB2 ASP 81 1HB ASP 81 -1.709 -13.639 12.498 645 HB3 ASP 81 2HB ASP 81 -2.365 -14.833 11.395 646 H LYS 82 H LYS 82 -1.200 -10.864 9.210 647 HA LYS 82 HA LYS 82 0.328 -9.739 11.455 648 HB2 LYS 82 1HB LYS 82 1.893 -9.922 9.740 649 HB3 LYS 82 2HB LYS 82 0.729 -9.561 8.482 650 HG2 LYS 82 1HG LYS 82 2.063 -7.580 8.712 651 HG3 LYS 82 2HG LYS 82 0.530 -7.204 9.473 652 HD2 LYS 82 1HD LYS 82 1.466 -7.626 11.706 653 HD3 LYS 82 2HD LYS 82 2.966 -8.211 11.014 654 HE2 LYS 82 1HE LYS 82 3.452 -5.978 10.069 655 HE3 LYS 82 2HE LYS 82 1.899 -5.375 10.614 656 HZ1 LYS 82 1HZ LYS 82 2.604 -5.853 12.881 657 HZ2 LYS 82 2HZ LYS 82 4.068 -6.340 12.346 658 HZ3 LYS 82 3HZ LYS 82 3.604 -4.786 12.153 659 H ILE 83 H ILE 83 -0.675 -8.120 12.514 660 HA ILE 83 HA ILE 83 -3.115 -7.079 11.424 661 HB ILE 83 HB ILE 83 -1.616 -6.523 13.985 662 HG12 ILE 83 1HG1 ILE 83 -2.406 -8.814 13.850 663 HG13 ILE 83 2HG1 ILE 83 -3.344 -7.915 15.026 664 HG21 ILE 83 1HG2 ILE 83 -4.429 -5.866 14.042 665 HG22 ILE 83 2HG2 ILE 83 -3.016 -4.868 14.458 666 HG23 ILE 83 3HG2 ILE 83 -3.590 -4.941 12.774 667 HD11 ILE 83 1HD1 ILE 83 -4.763 -7.505 12.645 668 HD12 ILE 83 2HD1 ILE 83 -4.219 -9.196 12.527 669 HD13 ILE 83 3HD1 ILE 83 -5.184 -8.667 13.926 670 H ILE 84 H ILE 84 -3.177 -5.465 9.964 671 HA ILE 84 HA ILE 84 -0.860 -3.746 9.722 672 HB ILE 84 HB ILE 84 -3.354 -4.158 8.083 673 HG12 ILE 84 1HG1 ILE 84 -0.431 -4.836 7.706 674 HG13 ILE 84 2HG1 ILE 84 -1.794 -5.935 7.793 675 HG21 ILE 84 1HG2 ILE 84 -2.347 -2.587 6.443 676 HG22 ILE 84 2HG2 ILE 84 -2.866 -1.805 7.955 677 HG23 ILE 84 3HG2 ILE 84 -1.140 -2.133 7.669 678 HD11 ILE 84 1HD1 ILE 84 -1.576 -5.841 5.493 679 HD12 ILE 84 2HD1 ILE 84 -2.644 -4.433 5.709 680 HD13 ILE 84 3HD1 ILE 84 -0.889 -4.199 5.521 681 HA PRO 85 HA PRO 85 -2.810 -0.739 12.199 682 HB2 PRO 85 1HB PRO 85 -0.775 1.086 12.206 683 HB3 PRO 85 2HB PRO 85 -0.853 -0.268 13.317 684 HG2 PRO 85 1HG PRO 85 0.865 0.081 10.936 685 HG3 PRO 85 2HG PRO 85 1.058 -1.033 12.276 686 HD2 PRO 85 1HD PRO 85 0.097 -1.660 9.648 687 HD3 PRO 85 2HD PRO 85 0.180 -2.747 11.020 688 H VAL 86 H VAL 86 -4.261 -0.741 10.167 689 HA VAL 86 HA VAL 86 -3.785 1.285 8.292 690 HB VAL 86 HB VAL 86 -6.381 0.012 9.184 691 HG11 VAL 86 1HG1 VAL 86 -5.629 1.766 6.862 692 HG12 VAL 86 2HG1 VAL 86 -6.885 0.521 6.655 693 HG13 VAL 86 3HG1 VAL 86 -7.085 1.792 7.885 694 HG21 VAL 86 1HG2 VAL 86 -4.826 -1.716 8.550 695 HG22 VAL 86 2HG2 VAL 86 -6.000 -1.505 7.229 696 HG23 VAL 86 3HG2 VAL 86 -4.361 -0.827 7.079 697 H ASP 87 H ASP 87 -6.215 1.205 11.001 698 HA ASP 87 HA ASP 87 -7.140 3.654 10.908 699 HB2 ASP 87 1HB ASP 87 -6.966 1.657 12.862 700 HB3 ASP 87 2HB ASP 87 -6.222 3.031 13.656 701 H LYS 88 H LYS 88 -3.839 2.671 11.822 702 HA LYS 88 HA LYS 88 -3.176 5.350 12.725 703 HB2 LYS 88 1HB LYS 88 -1.339 2.955 12.522 704 HB3 LYS 88 2HB LYS 88 -1.117 4.408 13.476 705 HG2 LYS 88 1HG LYS 88 -2.972 3.830 14.945 706 HG3 LYS 88 2HG LYS 88 -3.478 2.523 13.894 707 HD2 LYS 88 1HD LYS 88 -2.282 1.477 15.693 708 HD3 LYS 88 2HD LYS 88 -1.200 1.426 14.315 709 HE2 LYS 88 1HE LYS 88 0.364 2.551 15.509 710 HE3 LYS 88 2HE LYS 88 -0.713 3.929 15.617 711 HZ1 LYS 88 1HZ LYS 88 -0.854 3.489 17.754 712 HZ2 LYS 88 2HZ LYS 88 -1.647 2.100 17.425 713 HZ3 LYS 88 3HZ LYS 88 -0.025 2.089 17.614 714 H LEU 89 H LEU 89 -1.893 2.957 10.301 715 HA LEU 89 HA LEU 89 -0.204 4.588 8.967 716 HB2 LEU 89 1HB LEU 89 -2.016 2.402 7.956 717 HB3 LEU 89 2HB LEU 89 -0.817 3.180 6.942 718 HG LEU 89 HG LEU 89 -0.173 1.743 9.531 719 HD11 LEU 89 1HD1 LEU 89 0.429 -0.175 8.315 720 HD12 LEU 89 2HD1 LEU 89 -1.155 0.308 7.663 721 HD13 LEU 89 3HD1 LEU 89 0.331 0.674 6.753 722 HD21 LEU 89 1HD2 LEU 89 1.428 3.252 7.536 723 HD22 LEU 89 2HD2 LEU 89 1.672 3.031 9.286 724 HD23 LEU 89 3HD2 LEU 89 2.129 1.737 8.153 725 H VAL 90 H VAL 90 -3.784 4.356 8.555 726 HA VAL 90 HA VAL 90 -3.907 6.171 6.420 727 HB VAL 90 HB VAL 90 -6.284 6.252 6.943 728 HG11 VAL 90 1HG1 VAL 90 -6.133 4.362 5.731 729 HG12 VAL 90 2HG1 VAL 90 -4.754 3.749 6.675 730 HG13 VAL 90 3HG1 VAL 90 -6.414 3.530 7.279 731 HG21 VAL 90 1HG2 VAL 90 -6.765 4.498 8.997 732 HG22 VAL 90 2HG2 VAL 90 -5.342 5.382 9.597 733 HG23 VAL 90 3HG2 VAL 90 -6.811 6.272 9.133 734 H LYS 91 H LYS 91 -3.832 6.534 9.979 735 HA LYS 91 HA LYS 91 -4.585 9.248 9.992 736 HB2 LYS 91 1HB LYS 91 -3.361 7.328 11.937 737 HB3 LYS 91 2HB LYS 91 -3.284 9.041 12.297 738 HG2 LYS 91 1HG LYS 91 -5.756 9.225 12.019 739 HG3 LYS 91 2HG LYS 91 -5.847 7.521 11.616 740 HD2 LYS 91 1HD LYS 91 -5.749 6.889 13.804 741 HD3 LYS 91 2HD LYS 91 -4.388 7.944 14.134 742 HE2 LYS 91 1HE LYS 91 -6.114 8.841 15.491 743 HE3 LYS 91 2HE LYS 91 -6.111 9.900 14.094 744 HZ1 LYS 91 1HZ LYS 91 -7.802 7.564 13.944 745 HZ2 LYS 91 2HZ LYS 91 -8.275 8.744 14.968 746 HZ3 LYS 91 3HZ LYS 91 -8.062 9.075 13.383 747 H GLY 92 H GLY 92 -1.628 7.535 9.186 748 HA2 GLY 92 1HA GLY 92 0.441 8.240 8.645 749 HA3 GLY 92 2HA GLY 92 -0.372 9.640 7.974 750 H LYS 93 H LYS 93 1.631 8.413 10.560 751 HA LYS 93 HA LYS 93 2.016 11.126 11.491 752 HB2 LYS 93 1HB LYS 93 1.563 10.700 13.782 753 HB3 LYS 93 2HB LYS 93 0.157 10.169 12.882 754 HG2 LYS 93 1HG LYS 93 0.379 8.064 13.691 755 HG3 LYS 93 2HG LYS 93 2.005 7.950 13.047 756 HD2 LYS 93 1HD LYS 93 2.915 8.189 15.113 757 HD3 LYS 93 2HD LYS 93 2.022 9.670 15.396 758 HE2 LYS 93 1HE LYS 93 -0.022 7.938 15.742 759 HE3 LYS 93 2HE LYS 93 1.288 6.838 16.124 760 HZ1 LYS 93 1HZ LYS 93 0.543 9.305 17.483 761 HZ2 LYS 93 2HZ LYS 93 0.826 7.827 18.117 762 HZ3 LYS 93 3HZ LYS 93 2.073 8.749 17.605 763 H PHE 94 H PHE 94 3.463 9.056 9.882 764 HA PHE 94 HA PHE 94 5.464 8.139 9.726 765 HB2 PHE 94 1HB PHE 94 5.897 10.636 10.379 766 HB3 PHE 94 2HB PHE 94 6.178 10.065 12.012 767 HD1 PHE 94 2HD PHE 94 7.426 9.862 8.537 768 HD2 PHE 94 1HD PHE 94 8.258 9.121 12.632 769 HE1 PHE 94 2HE PHE 94 9.831 9.422 7.969 770 HE2 PHE 94 1HE PHE 94 10.663 8.681 12.064 771 HZ PHE 94 HZ PHE 94 11.421 8.837 9.740 772 H GLN 95 H GLN 95 7.477 7.227 11.144 773 HA GLN 95 HA GLN 95 8.166 5.759 12.587 774 HB2 GLN 95 1HB GLN 95 7.677 7.293 14.381 775 HB3 GLN 95 2HB GLN 95 5.960 6.949 14.310 776 HG2 GLN 95 1HG GLN 95 6.228 5.285 15.823 777 HG3 GLN 95 2HG GLN 95 7.273 4.433 14.703 778 HE21 GLN 95 1HE2 GLN 95 9.479 4.571 14.866 779 HE22 GLN 95 2HE2 GLN 95 10.307 5.234 16.235 780 H ASP 96 H ASP 96 4.576 5.671 13.204 781 HA ASP 96 HA ASP 96 4.481 2.924 13.339 782 HB2 ASP 96 1HB ASP 96 2.549 5.172 13.043 783 HB3 ASP 96 2HB ASP 96 1.954 3.637 12.444 784 H ASN 97 H ASN 97 4.886 5.084 10.656 785 HA ASN 97 HA ASN 97 3.666 3.303 8.763 786 HB2 ASN 97 1HB ASN 97 4.743 6.083 8.774 787 HB3 ASN 97 2HB ASN 97 5.077 5.211 7.292 788 HD21 ASN 97 1HD2 ASN 97 2.498 5.994 9.594 789 HD22 ASN 97 2HD2 ASN 97 1.191 6.059 8.459 790 H PHE 98 H PHE 98 6.876 4.421 9.936 791 HA PHE 98 HA PHE 98 8.311 3.002 7.902 792 HB2 PHE 98 1HB PHE 98 8.949 5.172 9.200 793 HB3 PHE 98 2HB PHE 98 9.215 4.158 10.604 794 HD1 PHE 98 2HD PHE 98 10.743 1.961 9.895 795 HD2 PHE 98 1HD PHE 98 10.876 5.821 8.138 796 HE1 PHE 98 2HE PHE 98 13.100 1.538 9.143 797 HE2 PHE 98 1HE PHE 98 13.233 5.398 7.386 798 HZ PHE 98 HZ PHE 98 14.317 3.262 7.898 799 H GLU 99 H GLU 99 7.470 2.552 11.379 800 HA GLU 99 HA GLU 99 9.091 0.285 11.676 801 HB2 GLU 99 1HB GLU 99 6.655 1.190 13.277 802 HB3 GLU 99 2HB GLU 99 7.789 -0.044 13.790 803 HG2 GLU 99 1HG GLU 99 8.726 2.759 13.062 804 HG3 GLU 99 2HG GLU 99 8.150 2.381 14.673 805 H PHE 100 H PHE 100 6.319 0.785 9.818 806 HA PHE 100 HA PHE 100 5.334 -1.933 10.228 807 HB2 PHE 100 1HB PHE 100 3.616 -0.204 10.215 808 HB3 PHE 100 2HB PHE 100 4.378 0.645 8.885 809 HD1 PHE 100 2HD PHE 100 4.168 -0.222 6.579 810 HD2 PHE 100 1HD PHE 100 2.106 -2.023 9.821 811 HE1 PHE 100 2HE PHE 100 2.647 -1.392 4.961 812 HE2 PHE 100 1HE PHE 100 0.585 -3.194 8.203 813 HZ PHE 100 HZ PHE 100 0.874 -2.864 5.792 814 H VAL 101 H VAL 101 6.402 0.339 7.605 815 HA VAL 101 HA VAL 101 6.266 -1.520 5.542 816 HB VAL 101 HB VAL 101 6.411 0.884 5.231 817 HG11 VAL 101 1HG1 VAL 101 8.275 2.211 5.741 818 HG12 VAL 101 2HG1 VAL 101 8.110 1.150 7.160 819 HG13 VAL 101 3HG1 VAL 101 9.347 0.803 5.929 820 HG21 VAL 101 1HG2 VAL 101 8.505 -0.870 3.965 821 HG22 VAL 101 2HG2 VAL 101 7.001 -0.218 3.271 822 HG23 VAL 101 3HG2 VAL 101 8.397 0.854 3.535 823 H GLN 102 H GLN 102 9.114 -0.474 7.547 824 HA GLN 102 HA GLN 102 11.030 -1.961 6.503 825 HB2 GLN 102 1HB GLN 102 11.952 -2.187 8.868 826 HB3 GLN 102 2HB GLN 102 11.510 -0.561 8.387 827 HG2 GLN 102 1HG GLN 102 10.320 -0.524 10.338 828 HG3 GLN 102 2HG GLN 102 9.121 -1.436 9.443 829 HE21 GLN 102 1HE2 GLN 102 9.480 -1.543 12.218 830 HE22 GLN 102 2HE2 GLN 102 9.976 -3.137 12.680 831 H TRP 103 H TRP 103 8.525 -3.164 8.825 832 HA TRP 103 HA TRP 103 9.520 -5.772 8.998 833 HB2 TRP 103 1HB TRP 103 7.997 -4.926 10.632 834 HB3 TRP 103 2HB TRP 103 6.769 -4.606 9.424 835 HD1 TRP 103 HD TRP 103 8.168 -7.454 11.547 836 HE1 TRP 103 1HE TRP 103 6.700 -9.638 11.346 837 HE3 TRP 103 3HE TRP 103 5.288 -5.796 7.698 838 HZ2 TRP 103 2HZ TRP 103 4.548 -10.410 9.638 839 HZ3 TRP 103 3HZ TRP 103 3.527 -7.327 6.822 840 HH2 TRP 103 HH TRP 103 3.134 -9.563 7.729 841 H PHE 104 H PHE 104 6.833 -4.339 7.000 842 HA PHE 104 HA PHE 104 6.109 -6.530 5.593 843 HB2 PHE 104 1HB PHE 104 6.129 -3.587 5.346 844 HB3 PHE 104 2HB PHE 104 6.277 -4.319 3.761 845 HD1 PHE 104 1HD PHE 104 4.178 -4.390 6.829 846 HD2 PHE 104 2HD PHE 104 4.381 -5.108 2.652 847 HE1 PHE 104 1HE PHE 104 1.698 -4.775 6.774 848 HE2 PHE 104 2HE PHE 104 1.902 -5.492 2.597 849 HZ PHE 104 HZ PHE 104 0.589 -5.321 4.659 850 H LYS 105 H LYS 105 8.774 -4.216 4.723 851 HA LYS 105 HA LYS 105 9.531 -5.469 2.381 852 HB2 LYS 105 1HB LYS 105 10.234 -3.210 3.170 853 HB3 LYS 105 2HB LYS 105 11.298 -3.970 4.336 854 HG2 LYS 105 1HG LYS 105 11.719 -5.136 1.690 855 HG3 LYS 105 2HG LYS 105 11.862 -3.392 1.606 856 HD2 LYS 105 1HD LYS 105 13.279 -3.894 3.913 857 HD3 LYS 105 2HD LYS 105 13.592 -5.371 3.023 858 HE2 LYS 105 1HE LYS 105 14.446 -4.097 1.097 859 HE3 LYS 105 2HE LYS 105 13.985 -2.580 1.844 860 HZ1 LYS 105 1HZ LYS 105 16.278 -2.982 2.217 861 HZ2 LYS 105 2HZ LYS 105 15.519 -3.128 3.655 862 HZ3 LYS 105 3HZ LYS 105 16.003 -4.463 2.849 863 H LYS 106 H LYS 106 11.150 -5.790 5.624 864 HA LYS 106 HA LYS 106 12.871 -7.771 5.052 865 HB2 LYS 106 1HB LYS 106 11.246 -7.236 7.541 866 HB3 LYS 106 2HB LYS 106 12.443 -8.514 7.482 867 HG2 LYS 106 1HG LYS 106 13.011 -5.589 6.807 868 HG3 LYS 106 2HG LYS 106 13.352 -6.330 8.358 869 HD2 LYS 106 1HD LYS 106 15.293 -7.218 7.585 870 HD3 LYS 106 2HD LYS 106 14.469 -7.986 6.242 871 HE2 LYS 106 1HE LYS 106 15.582 -6.528 4.894 872 HE3 LYS 106 2HE LYS 106 14.479 -5.298 5.478 873 HZ1 LYS 106 1HZ LYS 106 16.818 -5.934 7.080 874 HZ2 LYS 106 2HZ LYS 106 17.013 -5.016 5.744 875 HZ3 LYS 106 3HZ LYS 106 16.016 -4.519 6.938 876 H PHE 107 H PHE 107 9.427 -8.277 6.099 877 HA PHE 107 HA PHE 107 9.433 -11.018 5.898 878 HB2 PHE 107 1HB PHE 107 7.674 -9.226 6.727 879 HB3 PHE 107 2HB PHE 107 7.156 -9.142 5.055 880 HD1 PHE 107 1HD PHE 107 7.691 -11.613 7.795 881 HD2 PHE 107 2HD PHE 107 5.510 -10.592 4.301 882 HE1 PHE 107 1HE PHE 107 6.176 -13.580 8.165 883 HE2 PHE 107 2HE PHE 107 3.996 -12.559 4.671 884 HZ PHE 107 HZ PHE 107 4.347 -14.030 6.598 885 H PHE 108 H PHE 108 8.561 -8.553 3.378 886 HA PHE 108 HA PHE 108 7.812 -10.299 1.400 887 HB2 PHE 108 1HB PHE 108 8.853 -7.521 1.739 888 HB3 PHE 108 2HB PHE 108 9.220 -8.180 0.157 889 HD1 PHE 108 1HD PHE 108 6.319 -7.920 2.499 890 HD2 PHE 108 2HD PHE 108 7.676 -7.850 -1.520 891 HE1 PHE 108 1HE PHE 108 3.999 -7.355 1.726 892 HE2 PHE 108 2HE PHE 108 5.356 -7.285 -2.294 893 HZ PHE 108 HZ PHE 108 3.545 -7.044 -0.662 894 H ASP 109 H ASP 109 11.109 -8.869 1.972 895 HA ASP 109 HA ASP 109 12.466 -9.882 -0.046 896 HB2 ASP 109 1HB ASP 109 13.255 -8.635 2.122 897 HB3 ASP 109 2HB ASP 109 13.521 -10.235 2.786 898 H SER 110 H SER 110 11.721 -11.626 3.065 899 HA SER 110 HA SER 110 11.594 -13.728 3.586 900 HB2 SER 110 1HB SER 110 9.945 -14.160 1.961 901 HB3 SER 110 2HB SER 110 11.045 -13.905 0.621 902 HG SER 110 HG SER 110 11.477 -16.085 2.446 903 H GLY 111 H GLY 111 13.236 -15.061 4.294 904 HA2 GLY 111 1HA GLY 111 15.068 -16.429 2.809 905 HA3 GLY 111 2HA GLY 111 15.818 -14.864 3.053 906 HA PRO 112 HA PRO 112 15.366 -17.205 7.184 907 HB2 PRO 112 1HB PRO 112 15.589 -19.922 7.001 908 HB3 PRO 112 2HB PRO 112 14.051 -19.094 7.145 909 HG2 PRO 112 1HG PRO 112 15.264 -20.349 4.759 910 HG3 PRO 112 2HG PRO 112 13.591 -19.905 5.035 911 HD2 PRO 112 1HD PRO 112 15.498 -18.492 3.424 912 HD3 PRO 112 2HD PRO 112 13.861 -17.989 3.794 913 H SER 113 H SER 113 16.970 -18.705 8.522 914 HA SER 113 HA SER 113 19.412 -19.130 7.215 915 HB2 SER 113 1HB SER 113 19.813 -16.790 7.240 916 HB3 SER 113 2HB SER 113 19.077 -16.581 8.816 917 HG SER 113 HG SER 113 21.087 -16.680 9.549 918 H SER 114 H SER 114 19.272 -21.173 8.255 919 HA SER 114 HA SER 114 19.019 -21.143 11.129 920 HB2 SER 114 1HB SER 114 18.883 -23.628 10.884 921 HB3 SER 114 2HB SER 114 17.673 -22.787 9.935 922 HG SER 114 HG SER 114 20.128 -23.294 8.616 923 H GLY 115 H GLY 115 20.637 -22.094 12.544 924 HA2 GLY 115 1HA GLY 115 22.993 -23.310 11.772 925 HA3 GLY 115 2HA GLY 115 23.316 -21.588 11.726 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 15.994 8.400 -16.518 2 HA2 GLY 1 1HA GLY 1 15.445 6.699 -14.393 3 HA3 GLY 1 2HA GLY 1 16.165 5.710 -15.648 4 H SER 2 H SER 2 16.644 8.670 -13.650 5 HA SER 2 HA SER 2 19.505 8.303 -14.091 6 HB2 SER 2 1HB SER 2 17.797 10.695 -14.204 7 HB3 SER 2 2HB SER 2 19.142 10.910 -13.100 8 HG SER 2 HG SER 2 19.866 9.687 -15.519 9 H SER 3 H SER 3 20.902 8.831 -12.181 10 HA SER 3 HA SER 3 19.697 7.788 -9.835 11 HB2 SER 3 1HB SER 3 22.405 8.314 -10.849 12 HB3 SER 3 2HB SER 3 22.258 8.740 -9.155 13 HG SER 3 HG SER 3 22.034 6.663 -8.605 14 H GLY 4 H GLY 4 19.772 8.893 -7.683 15 HA2 GLY 4 1HA GLY 4 20.400 11.571 -7.299 16 HA3 GLY 4 2HA GLY 4 18.729 11.523 -7.823 17 H SER 5 H SER 5 21.044 10.494 -5.307 18 HA SER 5 HA SER 5 18.922 10.529 -3.415 19 HB2 SER 5 1HB SER 5 20.432 7.925 -3.916 20 HB3 SER 5 2HB SER 5 19.367 8.214 -2.554 21 HG SER 5 HG SER 5 17.846 8.866 -4.577 22 H SER 6 H SER 6 19.735 11.195 -1.418 23 HA SER 6 HA SER 6 22.645 11.136 -1.208 24 HB2 SER 6 1HB SER 6 20.764 13.340 -1.027 25 HB3 SER 6 2HB SER 6 21.583 13.159 0.512 26 HG SER 6 HG SER 6 23.238 14.154 -0.397 27 H GLY 7 H GLY 7 19.617 11.482 0.794 28 HA2 GLY 7 1HA GLY 7 20.626 10.747 3.239 29 HA3 GLY 7 2HA GLY 7 18.981 10.474 2.701 30 H GLN 8 H GLN 8 20.791 8.772 4.408 31 HA GLN 8 HA GLN 8 21.242 6.514 2.669 32 HB2 GLN 8 1HB GLN 8 22.516 7.529 4.992 33 HB3 GLN 8 2HB GLN 8 21.776 6.023 5.498 34 HG2 GLN 8 1HG GLN 8 23.528 4.940 4.545 35 HG3 GLN 8 2HG GLN 8 22.880 5.402 2.984 36 HE21 GLN 8 1HE2 GLN 8 24.309 6.275 1.712 37 HE22 GLN 8 2HE2 GLN 8 25.613 7.327 2.150 38 H ARG 9 H ARG 9 19.474 7.326 5.739 39 HA ARG 9 HA ARG 9 18.020 4.867 5.485 40 HB2 ARG 9 1HB ARG 9 18.528 6.882 7.604 41 HB3 ARG 9 2HB ARG 9 16.876 6.298 7.604 42 HG2 ARG 9 1HG ARG 9 18.278 3.933 7.270 43 HG3 ARG 9 2HG ARG 9 19.395 4.852 8.260 44 HD2 ARG 9 1HD ARG 9 16.472 4.801 9.044 45 HD3 ARG 9 2HD ARG 9 17.456 3.392 9.383 46 HE ARG 9 HE ARG 9 18.767 5.847 10.238 47 HH11 ARG 9 2HH2 ARG 9 16.339 3.470 11.153 48 HH12 ARG 9 1HH2 ARG 9 16.493 3.778 12.851 49 HH21 ARG 9 2HH1 ARG 9 18.970 6.253 12.478 50 HH22 ARG 9 1HH1 ARG 9 17.999 5.372 13.609 51 H ARG 10 H ARG 10 15.471 5.260 6.201 52 HA ARG 10 HA ARG 10 13.517 6.015 5.661 53 HB2 ARG 10 1HB ARG 10 15.135 8.440 5.568 54 HB3 ARG 10 2HB ARG 10 13.904 8.521 4.324 55 HG2 ARG 10 1HG ARG 10 12.891 7.495 6.919 56 HG3 ARG 10 2HG ARG 10 13.516 9.129 7.013 57 HD2 ARG 10 1HD ARG 10 11.510 8.232 4.891 58 HD3 ARG 10 2HD ARG 10 11.034 8.948 6.418 59 HE ARG 10 HE ARG 10 12.028 11.040 5.746 60 HH11 ARG 10 2HH2 ARG 10 12.252 8.550 3.269 61 HH12 ARG 10 1HH2 ARG 10 12.599 9.670 1.994 62 HH21 ARG 10 2HH1 ARG 10 12.485 12.518 4.063 63 HH22 ARG 10 1HH1 ARG 10 12.732 11.942 2.449 64 H HIS 11 H HIS 11 15.669 7.463 3.094 65 HA HIS 11 HA HIS 11 13.921 6.867 1.011 66 HB2 HIS 11 1HB HIS 11 16.428 8.155 1.376 67 HB3 HIS 11 2HB HIS 11 16.648 6.972 0.102 68 HD1 HIS 11 1HD HIS 11 15.214 7.273 -2.096 69 HD2 HIS 11 2HD HIS 11 14.805 10.354 0.721 70 HE1 HIS 11 1HE HIS 11 14.079 9.208 -3.312 71 H ASP 12 H ASP 12 15.879 4.820 2.947 72 HA ASP 12 HA ASP 12 16.806 2.989 1.154 73 HB2 ASP 12 1HB ASP 12 17.165 3.099 3.690 74 HB3 ASP 12 2HB ASP 12 15.592 2.351 3.882 75 H MET 13 H MET 13 13.675 3.010 3.030 76 HA MET 13 HA MET 13 12.661 0.742 1.762 77 HB2 MET 13 1HB MET 13 11.125 3.059 3.061 78 HB3 MET 13 2HB MET 13 10.540 1.419 2.867 79 HG2 MET 13 1HG MET 13 12.833 2.355 4.649 80 HG3 MET 13 2HG MET 13 11.309 1.660 5.163 81 HE1 MET 13 1HE MET 13 11.405 -1.935 4.526 82 HE2 MET 13 2HE MET 13 10.441 -0.440 4.455 83 HE3 MET 13 3HE MET 13 11.133 -1.125 2.965 84 H LEU 14 H LEU 14 11.992 4.284 1.293 85 HA LEU 14 HA LEU 14 10.093 4.170 -0.619 86 HB2 LEU 14 1HB LEU 14 12.403 6.074 -0.854 87 HB3 LEU 14 2HB LEU 14 10.712 6.342 -1.228 88 HG LEU 14 HG LEU 14 12.062 6.265 1.461 89 HD11 LEU 14 1HD1 LEU 14 10.623 8.386 1.682 90 HD12 LEU 14 2HD1 LEU 14 12.038 8.435 0.603 91 HD13 LEU 14 3HD1 LEU 14 10.405 8.254 -0.080 92 HD21 LEU 14 1HD2 LEU 14 9.132 5.808 0.886 93 HD22 LEU 14 2HD2 LEU 14 10.238 4.833 1.883 94 HD23 LEU 14 3HD2 LEU 14 9.722 6.442 2.441 95 H ALA 15 H ALA 15 13.636 3.667 -1.040 96 HA ALA 15 HA ALA 15 13.549 3.483 -3.838 97 HB1 ALA 15 1HB ALA 15 15.491 2.198 -1.877 98 HB2 ALA 15 2HB ALA 15 15.790 2.560 -3.594 99 HB3 ALA 15 3HB ALA 15 15.578 3.888 -2.428 100 H TRP 16 H TRP 16 13.275 1.046 -1.184 101 HA TRP 16 HA TRP 16 13.317 -1.246 -2.666 102 HB2 TRP 16 1HB TRP 16 13.272 -1.174 -0.234 103 HB3 TRP 16 2HB TRP 16 11.620 -0.590 -0.251 104 HD1 TRP 16 HD TRP 16 13.493 -3.771 -1.564 105 HE1 TRP 16 1HE TRP 16 11.976 -5.912 -1.278 106 HE3 TRP 16 3HE TRP 16 9.450 -1.305 0.288 107 HZ2 TRP 16 2HZ TRP 16 9.316 -6.324 -0.331 108 HZ3 TRP 16 3HZ TRP 16 7.434 -2.651 0.868 109 HH2 TRP 16 HH TRP 16 7.325 -5.076 0.585 110 H ILE 17 H ILE 17 10.525 0.960 -1.950 111 HA ILE 17 HA ILE 17 8.749 -0.564 -3.576 112 HB ILE 17 HB ILE 17 8.572 2.130 -2.238 113 HG12 ILE 17 1HG1 ILE 17 6.656 0.363 -1.223 114 HG13 ILE 17 2HG1 ILE 17 8.090 -0.624 -1.421 115 HG21 ILE 17 1HG2 ILE 17 6.736 2.649 -3.369 116 HG22 ILE 17 2HG2 ILE 17 7.041 1.260 -4.439 117 HG23 ILE 17 3HG2 ILE 17 6.009 1.067 -3.002 118 HD11 ILE 17 1HD1 ILE 17 7.795 0.706 0.811 119 HD12 ILE 17 2HD1 ILE 17 9.391 0.729 0.025 120 HD13 ILE 17 3HD1 ILE 17 8.296 2.121 -0.145 121 H ASN 18 H ASN 18 10.097 2.801 -3.894 122 HA ASN 18 HA ASN 18 9.246 3.434 -6.300 123 HB2 ASN 18 1HB ASN 18 12.100 3.761 -5.237 124 HB3 ASN 18 2HB ASN 18 11.499 4.619 -6.642 125 HD21 ASN 18 1HD2 ASN 18 12.230 6.373 -5.100 126 HD22 ASN 18 2HD2 ASN 18 11.033 7.067 -4.057 127 H GLU 19 H GLU 19 12.396 1.679 -5.703 128 HA GLU 19 HA GLU 19 12.570 0.990 -8.460 129 HB2 GLU 19 1HB GLU 19 14.298 0.872 -6.067 130 HB3 GLU 19 2HB GLU 19 14.491 -0.522 -7.110 131 HG2 GLU 19 1HG GLU 19 14.345 1.864 -8.758 132 HG3 GLU 19 2HG GLU 19 15.531 2.124 -7.495 133 H SER 20 H SER 20 10.178 -0.011 -7.835 134 HA SER 20 HA SER 20 10.510 -2.743 -8.265 135 HB2 SER 20 1HB SER 20 9.600 -1.917 -5.478 136 HB3 SER 20 2HB SER 20 9.253 -3.498 -6.151 137 HG SER 20 HG SER 20 11.625 -2.506 -5.089 138 H LEU 21 H LEU 21 8.438 -0.049 -7.078 139 HA LEU 21 HA LEU 21 6.247 -1.179 -8.679 140 HB2 LEU 21 1HB LEU 21 6.083 0.566 -6.217 141 HB3 LEU 21 2HB LEU 21 4.723 0.006 -7.170 142 HG LEU 21 HG LEU 21 6.635 -1.773 -5.631 143 HD11 LEU 21 1HD1 LEU 21 4.274 -2.156 -4.420 144 HD12 LEU 21 2HD1 LEU 21 5.449 -0.926 -3.898 145 HD13 LEU 21 3HD1 LEU 21 4.067 -0.460 -4.919 146 HD21 LEU 21 1HD2 LEU 21 4.424 -2.338 -7.545 147 HD22 LEU 21 2HD2 LEU 21 5.930 -3.231 -7.226 148 HD23 LEU 21 3HD2 LEU 21 4.556 -3.373 -6.103 149 H GLN 22 H GLN 22 8.710 1.038 -8.722 150 HA GLN 22 HA GLN 22 9.130 2.789 -9.935 151 HB2 GLN 22 1HB GLN 22 6.569 1.899 -11.268 152 HB3 GLN 22 2HB GLN 22 7.283 3.428 -11.739 153 HG2 GLN 22 1HG GLN 22 9.448 1.579 -11.646 154 HG3 GLN 22 2HG GLN 22 8.133 0.717 -12.419 155 HE21 GLN 22 1HE2 GLN 22 10.099 1.045 -14.013 156 HE22 GLN 22 2HE2 GLN 22 9.903 2.331 -15.158 157 H LEU 23 H LEU 23 7.118 2.730 -7.471 158 HA LEU 23 HA LEU 23 5.409 4.881 -7.652 159 HB2 LEU 23 1HB LEU 23 6.682 3.294 -5.535 160 HB3 LEU 23 2HB LEU 23 6.254 4.921 -5.044 161 HG LEU 23 HG LEU 23 4.387 3.671 -4.461 162 HD11 LEU 23 1HD1 LEU 23 2.638 4.617 -5.631 163 HD12 LEU 23 2HD1 LEU 23 3.991 5.687 -6.070 164 HD13 LEU 23 3HD1 LEU 23 3.444 4.431 -7.207 165 HD21 LEU 23 1HD2 LEU 23 4.977 2.093 -6.931 166 HD22 LEU 23 2HD2 LEU 23 4.633 1.547 -5.272 167 HD23 LEU 23 3HD2 LEU 23 3.309 2.126 -6.311 168 H ASN 24 H ASN 24 6.006 6.817 -5.796 169 HA ASN 24 HA ASN 24 8.609 7.839 -6.337 170 HB2 ASN 24 1HB ASN 24 7.139 8.515 -8.354 171 HB3 ASN 24 2HB ASN 24 6.190 9.480 -7.241 172 HD21 ASN 24 1HD2 ASN 24 9.549 8.867 -8.230 173 HD22 ASN 24 2HD2 ASN 24 10.118 10.498 -8.114 174 H LEU 25 H LEU 25 8.309 7.429 -3.893 175 HA LEU 25 HA LEU 25 6.783 9.619 -2.665 176 HB2 LEU 25 1HB LEU 25 7.588 7.056 -1.307 177 HB3 LEU 25 2HB LEU 25 6.429 8.257 -0.771 178 HG LEU 25 HG LEU 25 6.072 6.474 -3.196 179 HD11 LEU 25 1HD1 LEU 25 5.420 6.101 -0.324 180 HD12 LEU 25 2HD1 LEU 25 4.162 5.645 -1.499 181 HD13 LEU 25 3HD1 LEU 25 5.779 4.905 -1.593 182 HD21 LEU 25 1HD2 LEU 25 3.630 7.560 -2.167 183 HD22 LEU 25 2HD2 LEU 25 4.779 8.887 -2.464 184 HD23 LEU 25 3HD2 LEU 25 4.363 7.759 -3.777 185 H THR 26 H THR 26 7.807 10.947 -1.145 186 HA THR 26 HA THR 26 10.732 10.688 -1.148 187 HB THR 26 HB THR 26 9.922 12.787 -2.087 188 HG1 THR 26 1HG THR 26 11.653 12.767 -0.371 189 HG21 THR 26 1HG2 THR 26 7.873 13.561 -1.409 190 HG22 THR 26 2HG2 THR 26 7.897 12.533 0.044 191 HG23 THR 26 3HG2 THR 26 8.692 14.125 0.068 192 H LYS 27 H LYS 27 7.850 10.610 0.887 193 HA LYS 27 HA LYS 27 9.647 10.236 3.181 194 HB2 LYS 27 1HB LYS 27 6.861 11.401 3.349 195 HB3 LYS 27 2HB LYS 27 8.077 11.326 4.607 196 HG2 LYS 27 1HG LYS 27 9.528 12.888 3.377 197 HG3 LYS 27 2HG LYS 27 8.448 12.868 1.997 198 HD2 LYS 27 1HD LYS 27 7.444 14.685 2.931 199 HD3 LYS 27 2HD LYS 27 6.726 13.568 4.074 200 HE2 LYS 27 1HE LYS 27 9.496 14.734 4.551 201 HE3 LYS 27 2HE LYS 27 8.054 15.611 5.021 202 HZ1 LYS 27 1HZ LYS 27 8.647 12.863 5.876 203 HZ2 LYS 27 2HZ LYS 27 8.956 14.192 6.773 204 HZ3 LYS 27 3HZ LYS 27 7.415 13.799 6.400 205 H ILE 28 H ILE 28 8.569 8.858 4.946 206 HA ILE 28 HA ILE 28 7.658 6.469 3.673 207 HB ILE 28 HB ILE 28 8.357 7.301 6.464 208 HG12 ILE 28 1HG1 ILE 28 10.025 6.590 4.622 209 HG13 ILE 28 2HG1 ILE 28 10.187 5.901 6.226 210 HG21 ILE 28 1HG2 ILE 28 6.472 5.198 5.729 211 HG22 ILE 28 2HG2 ILE 28 7.872 4.583 6.640 212 HG23 ILE 28 3HG2 ILE 28 6.867 5.884 7.323 213 HD11 ILE 28 1HD1 ILE 28 8.341 4.317 4.586 214 HD12 ILE 28 2HD1 ILE 28 9.938 4.475 3.815 215 HD13 ILE 28 3HD1 ILE 28 9.805 3.800 5.457 216 H GLU 29 H GLU 29 6.242 9.111 5.643 217 HA GLU 29 HA GLU 29 3.857 7.947 6.246 218 HB2 GLU 29 1HB GLU 29 5.003 10.565 6.305 219 HB3 GLU 29 2HB GLU 29 3.437 10.729 5.535 220 HG2 GLU 29 1HG GLU 29 2.655 9.135 7.552 221 HG3 GLU 29 2HG GLU 29 4.093 9.775 8.323 222 H GLN 30 H GLN 30 5.128 8.832 3.132 223 HA GLN 30 HA GLN 30 2.809 9.458 1.791 224 HB2 GLN 30 1HB GLN 30 5.467 8.269 0.975 225 HB3 GLN 30 2HB GLN 30 4.183 8.386 -0.211 226 HG2 GLN 30 1HG GLN 30 4.721 10.839 1.441 227 HG3 GLN 30 2HG GLN 30 5.937 10.405 0.256 228 HE21 GLN 30 1HE2 GLN 30 5.581 12.073 -1.114 229 HE22 GLN 30 2HE2 GLN 30 4.151 12.279 -2.068 230 H LEU 31 H LEU 31 3.791 6.489 3.260 231 HA LEU 31 HA LEU 31 2.134 4.884 1.488 232 HB2 LEU 31 1HB LEU 31 3.529 3.812 3.901 233 HB3 LEU 31 2HB LEU 31 3.164 3.029 2.376 234 HG LEU 31 HG LEU 31 5.023 5.284 2.092 235 HD11 LEU 31 1HD1 LEU 31 6.333 2.931 3.349 236 HD12 LEU 31 2HD1 LEU 31 6.772 4.655 3.388 237 HD13 LEU 31 3HD1 LEU 31 5.460 4.047 4.426 238 HD21 LEU 31 1HD2 LEU 31 4.364 3.413 0.434 239 HD22 LEU 31 2HD2 LEU 31 6.071 3.907 0.540 240 HD23 LEU 31 3HD2 LEU 31 5.525 2.414 1.341 241 H CYS 32 H CYS 32 0.960 7.057 3.125 242 HA CYS 32 HA CYS 32 -0.429 5.576 5.194 243 HB2 CYS 32 1HB CYS 32 -1.312 7.729 5.900 244 HB3 CYS 32 2HB CYS 32 0.431 7.816 5.740 245 HG CYS 32 HG CYS 32 -0.363 10.045 4.834 246 H SER 33 H SER 33 -0.673 5.192 2.135 247 HA SER 33 HA SER 33 -3.488 5.901 1.901 248 HB2 SER 33 1HB SER 33 -2.946 5.236 -0.611 249 HB3 SER 33 2HB SER 33 -2.518 6.821 0.004 250 HG SER 33 HG SER 33 -0.773 5.702 -1.177 251 H GLY 34 H GLY 34 -1.162 3.303 0.831 252 HA2 GLY 34 1HA GLY 34 -1.431 1.052 1.533 253 HA3 GLY 34 2HA GLY 34 -3.161 1.300 1.659 254 H ALA 35 H ALA 35 -0.780 2.123 -0.964 255 HA ALA 35 HA ALA 35 -2.431 0.480 -2.762 256 HB1 ALA 35 1HB ALA 35 -2.362 2.137 -4.363 257 HB2 ALA 35 2HB ALA 35 -2.306 3.151 -2.901 258 HB3 ALA 35 3HB ALA 35 -0.807 2.782 -3.787 259 H ALA 36 H ALA 36 0.865 1.942 -2.286 260 HA ALA 36 HA ALA 36 2.307 0.539 -4.055 261 HB1 ALA 36 1HB ALA 36 4.026 0.507 -1.978 262 HB2 ALA 36 2HB ALA 36 3.595 2.003 -2.843 263 HB3 ALA 36 3HB ALA 36 2.795 1.602 -1.304 264 H TYR 37 H TYR 37 1.787 -0.611 -0.639 265 HA TYR 37 HA TYR 37 2.860 -3.060 -0.795 266 HB2 TYR 37 1HB TYR 37 0.068 -2.389 0.319 267 HB3 TYR 37 2HB TYR 37 1.156 -3.608 0.954 268 HD1 TYR 37 2HD TYR 37 3.441 -2.774 1.893 269 HD2 TYR 37 1HD TYR 37 0.074 -0.222 1.216 270 HE1 TYR 37 2HE TYR 37 4.404 -1.062 3.508 271 HE2 TYR 37 1HE TYR 37 1.049 1.481 2.833 272 HH TYR 37 HH TYR 37 3.068 0.922 5.035 273 H CYS 38 H CYS 38 -0.588 -2.311 -1.686 274 HA CYS 38 HA CYS 38 -1.385 -4.775 -2.419 275 HB2 CYS 38 1HB CYS 38 -2.150 -2.025 -3.149 276 HB3 CYS 38 2HB CYS 38 -2.568 -3.216 -4.365 277 HG CYS 38 HG CYS 38 -3.727 -2.603 -1.458 278 H GLN 39 H GLN 39 0.080 -2.286 -4.648 279 HA GLN 39 HA GLN 39 0.265 -3.754 -6.871 280 HB2 GLN 39 1HB GLN 39 1.379 -1.346 -5.902 281 HB3 GLN 39 2HB GLN 39 2.759 -2.274 -6.455 282 HG2 GLN 39 1HG GLN 39 1.086 -2.738 -8.548 283 HG3 GLN 39 2HG GLN 39 0.437 -1.196 -8.028 284 HE21 GLN 39 1HE2 GLN 39 1.735 0.651 -8.021 285 HE22 GLN 39 2HE2 GLN 39 3.183 0.778 -8.963 286 H PHE 40 H PHE 40 2.882 -3.549 -4.345 287 HA PHE 40 HA PHE 40 4.663 -5.278 -5.374 288 HB2 PHE 40 1HB PHE 40 3.901 -4.131 -2.834 289 HB3 PHE 40 2HB PHE 40 4.171 -5.835 -2.528 290 HD1 PHE 40 2HD PHE 40 6.399 -6.537 -4.224 291 HD2 PHE 40 1HD PHE 40 5.723 -2.951 -2.057 292 HE1 PHE 40 2HE PHE 40 8.874 -6.127 -4.129 293 HE2 PHE 40 1HE PHE 40 8.198 -2.542 -1.963 294 HZ PHE 40 HZ PHE 40 9.743 -4.134 -3.000 295 H MET 41 H MET 41 1.846 -6.201 -3.266 296 HA MET 41 HA MET 41 2.321 -8.876 -3.217 297 HB2 MET 41 1HB MET 41 -0.125 -7.102 -3.058 298 HB3 MET 41 2HB MET 41 -0.406 -8.826 -3.194 299 HG2 MET 41 1HG MET 41 1.372 -7.524 -1.073 300 HG3 MET 41 2HG MET 41 -0.282 -8.036 -0.804 301 HE1 MET 41 1HE MET 41 -1.037 -9.848 -0.199 302 HE2 MET 41 2HE MET 41 -0.758 -11.272 -1.230 303 HE3 MET 41 3HE MET 41 -0.117 -11.236 0.430 304 H ASP 42 H ASP 42 0.031 -7.166 -5.479 305 HA ASP 42 HA ASP 42 -0.801 -9.156 -6.973 306 HB2 ASP 42 1HB ASP 42 -1.530 -7.023 -7.643 307 HB3 ASP 42 2HB ASP 42 0.093 -6.361 -7.671 308 H MET 43 H MET 43 2.428 -7.530 -7.211 309 HA MET 43 HA MET 43 3.301 -8.895 -9.458 310 HB2 MET 43 1HB MET 43 4.246 -6.879 -7.788 311 HB3 MET 43 2HB MET 43 5.332 -8.189 -7.370 312 HG2 MET 43 1HG MET 43 5.505 -8.469 -10.032 313 HG3 MET 43 2HG MET 43 4.975 -6.799 -10.031 314 HE1 MET 43 1HE MET 43 6.958 -6.297 -6.761 315 HE2 MET 43 2HE MET 43 7.397 -4.971 -7.865 316 HE3 MET 43 3HE MET 43 5.717 -5.554 -7.798 317 H LEU 44 H LEU 44 3.709 -9.580 -5.924 318 HA LEU 44 HA LEU 44 5.247 -11.922 -6.400 319 HB2 LEU 44 1HB LEU 44 3.793 -10.964 -3.930 320 HB3 LEU 44 2HB LEU 44 4.941 -12.287 -3.987 321 HG LEU 44 HG LEU 44 5.532 -9.366 -4.534 322 HD11 LEU 44 1HD1 LEU 44 6.584 -11.106 -2.297 323 HD12 LEU 44 2HD1 LEU 44 6.721 -9.341 -2.483 324 HD13 LEU 44 3HD1 LEU 44 5.138 -10.081 -2.144 325 HD21 LEU 44 1HD2 LEU 44 7.249 -10.066 -5.762 326 HD22 LEU 44 2HD2 LEU 44 7.950 -10.713 -4.258 327 HD23 LEU 44 3HD2 LEU 44 6.976 -11.767 -5.311 328 H PHE 45 H PHE 45 1.913 -11.481 -5.009 329 HA PHE 45 HA PHE 45 1.269 -14.078 -6.219 330 HB2 PHE 45 1HB PHE 45 0.025 -12.625 -3.810 331 HB3 PHE 45 2HB PHE 45 -0.317 -14.274 -4.294 332 HD1 PHE 45 1HD PHE 45 1.383 -16.041 -3.959 333 HD2 PHE 45 2HD PHE 45 1.977 -12.091 -2.526 334 HE1 PHE 45 1HE PHE 45 3.208 -16.865 -2.446 335 HE2 PHE 45 2HE PHE 45 3.802 -12.915 -1.012 336 HZ PHE 45 HZ PHE 45 4.396 -15.292 -0.990 337 HA PRO 46 HA PRO 46 -1.477 -11.395 -8.423 338 HB2 PRO 46 1HB PRO 46 -1.857 -13.041 -10.570 339 HB3 PRO 46 2HB PRO 46 -0.558 -11.869 -10.480 340 HG2 PRO 46 1HG PRO 46 -0.429 -14.806 -10.168 341 HG3 PRO 46 2HG PRO 46 0.871 -13.679 -10.503 342 HD2 PRO 46 1HD PRO 46 0.290 -14.931 -7.989 343 HD3 PRO 46 2HD PRO 46 1.516 -13.717 -8.297 344 H GLY 47 H GLY 47 -3.482 -11.072 -7.721 345 HA2 GLY 47 1HA GLY 47 -5.740 -11.843 -7.915 346 HA3 GLY 47 2HA GLY 47 -5.183 -13.487 -7.673 347 H SER 48 H SER 48 -3.194 -12.579 -5.537 348 HA SER 48 HA SER 48 -4.748 -13.117 -3.358 349 HB2 SER 48 1HB SER 48 -2.811 -12.526 -2.026 350 HB3 SER 48 2HB SER 48 -2.241 -13.281 -3.500 351 HG SER 48 HG SER 48 -1.612 -11.280 -4.330 352 H ILE 49 H ILE 49 -4.099 -10.061 -5.038 353 HA ILE 49 HA ILE 49 -5.702 -8.687 -2.993 354 HB ILE 49 HB ILE 49 -3.947 -7.059 -4.704 355 HG12 ILE 49 1HG1 ILE 49 -2.605 -9.178 -4.167 356 HG13 ILE 49 2HG1 ILE 49 -1.882 -7.629 -3.783 357 HG21 ILE 49 1HG2 ILE 49 -4.972 -7.098 -1.900 358 HG22 ILE 49 2HG2 ILE 49 -3.459 -6.222 -2.236 359 HG23 ILE 49 3HG2 ILE 49 -4.952 -5.784 -3.101 360 HD11 ILE 49 1HD1 ILE 49 -2.190 -7.893 -1.468 361 HD12 ILE 49 2HD1 ILE 49 -3.537 -9.037 -1.678 362 HD13 ILE 49 3HD1 ILE 49 -1.865 -9.565 -1.984 363 H ALA 50 H ALA 50 -6.291 -6.357 -4.384 364 HA ALA 50 HA ALA 50 -7.542 -7.308 -6.857 365 HB1 ALA 50 1HB ALA 50 -8.851 -6.640 -4.353 366 HB2 ALA 50 2HB ALA 50 -9.349 -5.510 -5.635 367 HB3 ALA 50 3HB ALA 50 -9.558 -7.263 -5.863 368 H LEU 51 H LEU 51 -5.426 -6.126 -7.502 369 HA LEU 51 HA LEU 51 -5.020 -3.453 -7.093 370 HB2 LEU 51 1HB LEU 51 -4.041 -5.517 -8.787 371 HB3 LEU 51 2HB LEU 51 -4.341 -4.110 -9.788 372 HG LEU 51 HG LEU 51 -2.534 -4.292 -7.367 373 HD11 LEU 51 1HD1 LEU 51 -2.016 -3.814 -10.311 374 HD12 LEU 51 2HD1 LEU 51 -0.799 -3.599 -9.030 375 HD13 LEU 51 3HD1 LEU 51 -1.507 -5.206 -9.324 376 HD21 LEU 51 1HD2 LEU 51 -2.716 -2.113 -7.011 377 HD22 LEU 51 2HD2 LEU 51 -2.275 -1.779 -8.703 378 HD23 LEU 51 3HD2 LEU 51 -3.982 -2.016 -8.258 379 H LYS 52 H LYS 52 -7.570 -5.052 -8.875 380 HA LYS 52 HA LYS 52 -8.214 -2.622 -10.329 381 HB2 LYS 52 1HB LYS 52 -8.703 -5.463 -10.657 382 HB3 LYS 52 2HB LYS 52 -10.205 -4.565 -10.748 383 HG2 LYS 52 1HG LYS 52 -7.691 -3.818 -12.314 384 HG3 LYS 52 2HG LYS 52 -8.980 -4.810 -12.966 385 HD2 LYS 52 1HD LYS 52 -9.129 -1.894 -12.104 386 HD3 LYS 52 2HD LYS 52 -9.419 -2.556 -13.701 387 HE2 LYS 52 1HE LYS 52 -11.312 -3.953 -12.360 388 HE3 LYS 52 2HE LYS 52 -11.209 -2.577 -11.279 389 HZ1 LYS 52 1HZ LYS 52 -12.778 -2.477 -13.264 390 HZ2 LYS 52 2HZ LYS 52 -11.877 -1.156 -12.932 391 HZ3 LYS 52 3HZ LYS 52 -11.449 -2.150 -14.155 392 H LYS 53 H LYS 53 -8.223 -2.332 -7.504 393 HA LYS 53 HA LYS 53 -10.933 -1.472 -7.178 394 HB2 LYS 53 1HB LYS 53 -10.597 -4.039 -6.430 395 HB3 LYS 53 2HB LYS 53 -10.074 -3.255 -4.953 396 HG2 LYS 53 1HG LYS 53 -12.169 -2.221 -4.591 397 HG3 LYS 53 2HG LYS 53 -12.621 -2.305 -6.282 398 HD2 LYS 53 1HD LYS 53 -13.941 -3.972 -5.152 399 HD3 LYS 53 2HD LYS 53 -12.717 -4.846 -6.052 400 HE2 LYS 53 1HE LYS 53 -11.545 -5.479 -4.133 401 HE3 LYS 53 2HE LYS 53 -12.022 -4.053 -3.233 402 HZ1 LYS 53 1HZ LYS 53 -14.348 -5.112 -3.436 403 HZ2 LYS 53 2HZ LYS 53 -13.524 -6.499 -3.688 404 HZ3 LYS 53 3HZ LYS 53 -13.307 -5.661 -2.303 405 H VAL 54 H VAL 54 -7.698 -2.102 -5.701 406 HA VAL 54 HA VAL 54 -7.750 -0.334 -3.647 407 HB VAL 54 HB VAL 54 -5.918 -1.820 -4.055 408 HG11 VAL 54 1HG1 VAL 54 -5.017 -0.130 -6.396 409 HG12 VAL 54 2HG1 VAL 54 -4.440 -1.737 -5.893 410 HG13 VAL 54 3HG1 VAL 54 -6.063 -1.555 -6.601 411 HG21 VAL 54 1HG2 VAL 54 -4.988 1.066 -4.240 412 HG22 VAL 54 2HG2 VAL 54 -5.427 0.196 -2.751 413 HG23 VAL 54 3HG2 VAL 54 -4.005 -0.314 -3.693 414 H LYS 55 H LYS 55 -7.030 1.901 -3.387 415 HA LYS 55 HA LYS 55 -7.751 3.479 -5.746 416 HB2 LYS 55 1HB LYS 55 -8.052 3.868 -2.794 417 HB3 LYS 55 2HB LYS 55 -7.848 5.288 -3.799 418 HG2 LYS 55 1HG LYS 55 -9.818 3.223 -4.749 419 HG3 LYS 55 2HG LYS 55 -10.271 4.161 -3.339 420 HD2 LYS 55 1HD LYS 55 -10.771 5.952 -4.635 421 HD3 LYS 55 2HD LYS 55 -9.148 5.970 -5.296 422 HE2 LYS 55 1HE LYS 55 -9.802 4.247 -6.980 423 HE3 LYS 55 2HE LYS 55 -11.419 4.191 -6.307 424 HZ1 LYS 55 1HZ LYS 55 -11.106 6.792 -6.753 425 HZ2 LYS 55 2HZ LYS 55 -10.229 6.176 -7.985 426 HZ3 LYS 55 3HZ LYS 55 -11.799 5.761 -7.814 427 H PHE 56 H PHE 56 -5.885 3.728 -6.929 428 HA PHE 56 HA PHE 56 -3.429 4.299 -5.515 429 HB2 PHE 56 1HB PHE 56 -4.398 3.678 -8.329 430 HB3 PHE 56 2HB PHE 56 -2.854 4.493 -8.180 431 HD1 PHE 56 1HD PHE 56 -4.235 1.917 -5.892 432 HD2 PHE 56 2HD PHE 56 -1.373 2.820 -8.892 433 HE1 PHE 56 1HE PHE 56 -3.110 -0.290 -5.483 434 HE2 PHE 56 2HE PHE 56 -0.249 0.613 -8.484 435 HZ PHE 56 HZ PHE 56 -1.131 -0.915 -6.785 436 H GLN 57 H GLN 57 -5.616 6.272 -5.303 437 HA GLN 57 HA GLN 57 -4.087 8.536 -5.923 438 HB2 GLN 57 1HB GLN 57 -6.027 7.660 -7.937 439 HB3 GLN 57 2HB GLN 57 -6.421 9.260 -7.339 440 HG2 GLN 57 1HG GLN 57 -3.543 8.658 -8.037 441 HG3 GLN 57 2HG GLN 57 -4.678 8.919 -9.345 442 HE21 GLN 57 1HE2 GLN 57 -2.455 10.545 -8.687 443 HE22 GLN 57 2HE2 GLN 57 -3.019 12.127 -8.262 444 H ALA 58 H ALA 58 -5.440 7.185 -3.670 445 HA ALA 58 HA ALA 58 -7.801 8.669 -3.073 446 HB1 ALA 58 1HB ALA 58 -6.168 6.506 -1.907 447 HB2 ALA 58 2HB ALA 58 -6.886 7.596 -0.696 448 HB3 ALA 58 3HB ALA 58 -7.929 6.756 -1.868 449 H LYS 59 H LYS 59 -8.016 10.588 -1.977 450 HA LYS 59 HA LYS 59 -5.501 11.799 -1.065 451 HB2 LYS 59 1HB LYS 59 -7.624 12.759 -2.799 452 HB3 LYS 59 2HB LYS 59 -7.420 13.820 -1.419 453 HG2 LYS 59 1HG LYS 59 -4.936 12.846 -2.829 454 HG3 LYS 59 2HG LYS 59 -5.904 14.070 -3.626 455 HD2 LYS 59 1HD LYS 59 -4.898 14.316 -0.752 456 HD3 LYS 59 2HD LYS 59 -4.056 14.986 -2.135 457 HE2 LYS 59 1HE LYS 59 -6.755 15.858 -2.402 458 HE3 LYS 59 2HE LYS 59 -6.372 16.048 -0.703 459 HZ1 LYS 59 1HZ LYS 59 -5.627 17.712 -2.700 460 HZ2 LYS 59 2HZ LYS 59 -5.032 17.719 -1.179 461 HZ3 LYS 59 3HZ LYS 59 -4.247 16.908 -2.359 462 H LEU 60 H LEU 60 -8.855 10.914 -0.304 463 HA LEU 60 HA LEU 60 -8.770 12.317 2.214 464 HB2 LEU 60 1HB LEU 60 -10.864 10.327 1.424 465 HB3 LEU 60 2HB LEU 60 -11.004 11.745 2.444 466 HG LEU 60 HG LEU 60 -12.038 12.598 0.634 467 HD11 LEU 60 1HD1 LEU 60 -9.530 13.566 0.860 468 HD12 LEU 60 2HD1 LEU 60 -9.503 13.028 -0.837 469 HD13 LEU 60 3HD1 LEU 60 -10.736 14.191 -0.292 470 HD21 LEU 60 1HD2 LEU 60 -11.551 10.240 -0.506 471 HD22 LEU 60 2HD2 LEU 60 -12.201 11.626 -1.415 472 HD23 LEU 60 3HD2 LEU 60 -10.465 11.240 -1.501 473 H GLU 61 H GLU 61 -9.008 11.207 4.305 474 HA GLU 61 HA GLU 61 -7.130 9.144 4.503 475 HB2 GLU 61 1HB GLU 61 -8.392 10.971 6.242 476 HB3 GLU 61 2HB GLU 61 -8.888 9.399 6.837 477 HG2 GLU 61 1HG GLU 61 -6.680 8.715 7.296 478 HG3 GLU 61 2HG GLU 61 -5.981 9.812 6.122 479 H HIS 62 H HIS 62 -10.730 9.236 5.012 480 HA HIS 62 HA HIS 62 -11.229 6.719 5.725 481 HB2 HIS 62 1HB HIS 62 -13.401 6.951 4.765 482 HB3 HIS 62 2HB HIS 62 -12.894 8.523 5.350 483 HD1 HIS 62 1HD HIS 62 -13.911 6.709 2.268 484 HD2 HIS 62 2HD HIS 62 -12.209 10.411 3.265 485 HE1 HIS 62 1HE HIS 62 -14.118 8.174 0.189 486 H GLU 63 H GLU 63 -10.214 7.839 2.481 487 HA GLU 63 HA GLU 63 -10.749 5.447 1.171 488 HB2 GLU 63 1HB GLU 63 -8.525 7.387 0.439 489 HB3 GLU 63 2HB GLU 63 -9.444 6.356 -0.640 490 HG2 GLU 63 1HG GLU 63 -11.281 8.029 0.871 491 HG3 GLU 63 2HG GLU 63 -10.044 9.041 0.153 492 H TYR 64 H TYR 64 -7.676 6.773 2.588 493 HA TYR 64 HA TYR 64 -5.934 4.814 1.977 494 HB2 TYR 64 1HB TYR 64 -6.448 6.141 4.713 495 HB3 TYR 64 2HB TYR 64 -4.908 5.473 4.211 496 HD1 TYR 64 1HD TYR 64 -5.990 6.806 1.268 497 HD2 TYR 64 2HD TYR 64 -4.747 8.118 5.146 498 HE1 TYR 64 1HE TYR 64 -5.327 9.062 0.301 499 HE2 TYR 64 2HE TYR 64 -4.089 10.369 4.166 500 HH TYR 64 HH TYR 64 -3.336 11.098 1.680 501 H ILE 65 H ILE 65 -8.448 4.717 4.562 502 HA ILE 65 HA ILE 65 -7.608 2.379 5.786 503 HB ILE 65 HB ILE 65 -10.156 3.900 5.569 504 HG12 ILE 65 1HG1 ILE 65 -9.469 3.151 8.220 505 HG13 ILE 65 2HG1 ILE 65 -7.975 3.601 7.424 506 HG21 ILE 65 1HG2 ILE 65 -11.144 2.142 7.179 507 HG22 ILE 65 2HG2 ILE 65 -11.166 1.807 5.431 508 HG23 ILE 65 3HG2 ILE 65 -9.945 1.035 6.469 509 HD11 ILE 65 1HD1 ILE 65 -9.637 5.422 8.549 510 HD12 ILE 65 2HD1 ILE 65 -8.613 5.803 7.144 511 HD13 ILE 65 3HD1 ILE 65 -10.327 5.385 6.909 512 H GLN 66 H GLN 66 -10.399 2.647 3.471 513 HA GLN 66 HA GLN 66 -10.783 0.051 3.036 514 HB2 GLN 66 1HB GLN 66 -10.921 2.374 1.079 515 HB3 GLN 66 2HB GLN 66 -11.473 0.769 0.645 516 HG2 GLN 66 1HG GLN 66 -12.724 1.085 3.080 517 HG3 GLN 66 2HG GLN 66 -12.684 2.747 2.525 518 HE21 GLN 66 1HE2 GLN 66 -14.785 3.018 2.064 519 HE22 GLN 66 2HE2 GLN 66 -15.658 2.174 0.829 520 H ASN 67 H ASN 67 -8.440 2.133 1.196 521 HA ASN 67 HA ASN 67 -7.505 0.417 -0.585 522 HB2 ASN 67 1HB ASN 67 -5.869 2.276 1.217 523 HB3 ASN 67 2HB ASN 67 -5.218 1.529 -0.228 524 HD21 ASN 67 1HD2 ASN 67 -4.910 3.291 -1.447 525 HD22 ASN 67 2HD2 ASN 67 -6.157 4.344 -2.027 526 H PHE 68 H PHE 68 -6.386 0.708 2.871 527 HA PHE 68 HA PHE 68 -4.574 -1.433 2.719 528 HB2 PHE 68 1HB PHE 68 -6.070 0.143 4.865 529 HB3 PHE 68 2HB PHE 68 -5.107 -1.238 5.353 530 HD1 PHE 68 2HD PHE 68 -2.654 -1.197 4.125 531 HD2 PHE 68 1HD PHE 68 -5.036 2.180 5.092 532 HE1 PHE 68 2HE PHE 68 -0.600 0.245 4.152 533 HE2 PHE 68 1HE PHE 68 -2.982 3.621 5.120 534 HZ PHE 68 HZ PHE 68 -0.788 2.637 4.649 535 H LYS 69 H LYS 69 -8.010 -1.163 3.812 536 HA LYS 69 HA LYS 69 -8.379 -3.578 4.960 537 HB2 LYS 69 1HB LYS 69 -10.267 -2.134 3.075 538 HB3 LYS 69 2HB LYS 69 -10.727 -3.409 4.184 539 HG2 LYS 69 1HG LYS 69 -9.522 -1.846 5.991 540 HG3 LYS 69 2HG LYS 69 -9.823 -0.592 4.805 541 HD2 LYS 69 1HD LYS 69 -12.052 -0.534 5.275 542 HD3 LYS 69 2HD LYS 69 -12.198 -2.278 5.186 543 HE2 LYS 69 1HE LYS 69 -11.093 -2.365 7.519 544 HE3 LYS 69 2HE LYS 69 -11.296 -0.626 7.587 545 HZ1 LYS 69 1HZ LYS 69 -13.146 -1.761 8.580 546 HZ2 LYS 69 2HZ LYS 69 -13.656 -0.950 7.258 547 HZ3 LYS 69 3HZ LYS 69 -13.465 -2.571 7.199 548 H ILE 70 H ILE 70 -8.240 -2.844 1.431 549 HA ILE 70 HA ILE 70 -8.846 -5.476 0.634 550 HB ILE 70 HB ILE 70 -7.496 -3.166 -0.758 551 HG12 ILE 70 1HG1 ILE 70 -10.307 -4.266 -1.037 552 HG13 ILE 70 2HG1 ILE 70 -9.880 -2.888 -0.042 553 HG21 ILE 70 1HG2 ILE 70 -7.115 -4.384 -2.590 554 HG22 ILE 70 2HG2 ILE 70 -7.269 -5.803 -1.527 555 HG23 ILE 70 3HG2 ILE 70 -8.673 -5.234 -2.460 556 HD11 ILE 70 1HD1 ILE 70 -9.740 -1.498 -1.837 557 HD12 ILE 70 2HD1 ILE 70 -8.776 -2.669 -2.767 558 HD13 ILE 70 3HD1 ILE 70 -10.552 -2.794 -2.748 559 H LEU 71 H LEU 71 -5.693 -3.668 0.774 560 HA LEU 71 HA LEU 71 -4.058 -5.735 0.073 561 HB2 LEU 71 1HB LEU 71 -3.307 -3.464 0.283 562 HB3 LEU 71 2HB LEU 71 -3.615 -3.462 2.008 563 HG LEU 71 HG LEU 71 -1.186 -3.725 1.117 564 HD11 LEU 71 1HD1 LEU 71 -1.370 -5.803 3.103 565 HD12 LEU 71 2HD1 LEU 71 -0.769 -4.135 3.256 566 HD13 LEU 71 3HD1 LEU 71 -2.499 -4.482 3.488 567 HD21 LEU 71 1HD2 LEU 71 -2.074 -5.757 -0.321 568 HD22 LEU 71 2HD2 LEU 71 -0.432 -5.748 0.366 569 HD23 LEU 71 3HD2 LEU 71 -1.728 -6.663 1.172 570 H GLN 72 H GLN 72 -5.365 -4.925 3.346 571 HA GLN 72 HA GLN 72 -4.007 -6.718 4.818 572 HB2 GLN 72 1HB GLN 72 -6.136 -5.034 5.244 573 HB3 GLN 72 2HB GLN 72 -6.925 -6.589 5.416 574 HG2 GLN 72 1HG GLN 72 -4.374 -5.791 6.895 575 HG3 GLN 72 2HG GLN 72 -5.983 -5.676 7.580 576 HE21 GLN 72 1HE2 GLN 72 -3.281 -7.587 7.164 577 HE22 GLN 72 2HE2 GLN 72 -3.910 -9.131 7.633 578 H ALA 73 H ALA 73 -6.969 -7.315 2.828 579 HA ALA 73 HA ALA 73 -7.355 -9.962 3.580 580 HB1 ALA 73 1HB ALA 73 -8.636 -10.085 1.444 581 HB2 ALA 73 2HB ALA 73 -9.023 -8.627 2.389 582 HB3 ALA 73 3HB ALA 73 -7.954 -8.511 0.971 583 H GLY 74 H GLY 74 -5.007 -8.419 1.420 584 HA2 GLY 74 1HA GLY 74 -4.283 -10.588 -0.170 585 HA3 GLY 74 2HA GLY 74 -3.257 -9.239 0.277 586 H PHE 75 H PHE 75 -3.821 -10.004 3.269 587 HA PHE 75 HA PHE 75 -1.624 -11.904 3.383 588 HB2 PHE 75 1HB PHE 75 -3.097 -10.008 5.286 589 HB3 PHE 75 2HB PHE 75 -1.996 -11.209 5.930 590 HD1 PHE 75 1HD PHE 75 -0.994 -10.006 2.720 591 HD2 PHE 75 2HD PHE 75 -0.864 -9.121 6.868 592 HE1 PHE 75 1HE PHE 75 0.935 -8.449 2.327 593 HE2 PHE 75 2HE PHE 75 1.065 -7.564 6.476 594 HZ PHE 75 HZ PHE 75 1.942 -7.247 4.210 595 H LYS 76 H LYS 76 -4.848 -11.390 4.998 596 HA LYS 76 HA LYS 76 -4.954 -13.863 6.221 597 HB2 LYS 76 1HB LYS 76 -7.154 -13.336 6.739 598 HB3 LYS 76 2HB LYS 76 -6.421 -11.761 6.515 599 HG2 LYS 76 1HG LYS 76 -8.090 -11.339 5.029 600 HG3 LYS 76 2HG LYS 76 -7.242 -12.404 3.926 601 HD2 LYS 76 1HD LYS 76 -8.639 -14.194 5.568 602 HD3 LYS 76 2HD LYS 76 -9.760 -12.857 5.408 603 HE2 LYS 76 1HE LYS 76 -8.369 -14.143 3.014 604 HE3 LYS 76 2HE LYS 76 -9.930 -14.676 3.603 605 HZ1 LYS 76 1HZ LYS 76 -9.614 -11.843 3.127 606 HZ2 LYS 76 2HZ LYS 76 -9.685 -12.807 1.811 607 HZ3 LYS 76 3HZ LYS 76 -10.915 -12.800 2.885 608 H ARG 77 H ARG 77 -5.448 -12.922 2.849 609 HA ARG 77 HA ARG 77 -6.874 -15.238 2.161 610 HB2 ARG 77 1HB ARG 77 -5.411 -13.065 0.633 611 HB3 ARG 77 2HB ARG 77 -5.949 -14.492 -0.231 612 HG2 ARG 77 1HG ARG 77 -8.283 -14.095 0.730 613 HG3 ARG 77 2HG ARG 77 -7.697 -12.578 1.381 614 HD2 ARG 77 1HD ARG 77 -6.960 -11.984 -1.030 615 HD3 ARG 77 2HD ARG 77 -7.884 -13.377 -1.557 616 HE ARG 77 HE ARG 77 -8.960 -10.825 -0.701 617 HH11 ARG 77 2HH2 ARG 77 -9.643 -14.277 -0.737 618 HH12 ARG 77 1HH2 ARG 77 -11.361 -14.068 -0.672 619 HH21 ARG 77 2HH1 ARG 77 -11.227 -10.548 -0.616 620 HH22 ARG 77 1HH1 ARG 77 -12.268 -11.932 -0.604 621 H MET 78 H MET 78 -3.415 -14.250 2.181 622 HA MET 78 HA MET 78 -2.635 -16.709 0.933 623 HB2 MET 78 1HB MET 78 -1.329 -14.148 1.855 624 HB3 MET 78 2HB MET 78 -0.294 -15.560 1.780 625 HG2 MET 78 1HG MET 78 -2.057 -14.693 -0.556 626 HG3 MET 78 2HG MET 78 -0.409 -14.133 -0.359 627 HE1 MET 78 1HE MET 78 -0.644 -16.932 -3.198 628 HE2 MET 78 2HE MET 78 -2.245 -16.679 -2.461 629 HE3 MET 78 3HE MET 78 -1.196 -15.284 -2.812 630 H GLY 79 H GLY 79 -1.633 -15.056 4.022 631 HA2 GLY 79 1HA GLY 79 -2.282 -16.710 5.952 632 HA3 GLY 79 2HA GLY 79 -1.048 -17.682 5.176 633 H VAL 80 H VAL 80 -1.382 -14.119 5.845 634 HA VAL 80 HA VAL 80 1.307 -14.246 7.016 635 HB VAL 80 HB VAL 80 -0.223 -12.057 5.611 636 HG11 VAL 80 1HG1 VAL 80 1.435 -10.472 6.176 637 HG12 VAL 80 2HG1 VAL 80 1.032 -11.285 7.707 638 HG13 VAL 80 3HG1 VAL 80 2.523 -11.717 6.836 639 HG21 VAL 80 1HG2 VAL 80 2.324 -12.247 4.535 640 HG22 VAL 80 2HG2 VAL 80 1.898 -13.940 4.879 641 HG23 VAL 80 3HG2 VAL 80 0.839 -12.949 3.849 642 H ASP 81 H ASP 81 1.418 -14.107 9.192 643 HA ASP 81 HA ASP 81 -0.948 -13.421 10.614 644 HB2 ASP 81 1HB ASP 81 1.778 -14.497 11.245 645 HB3 ASP 81 2HB ASP 81 0.986 -13.625 12.543 646 H LYS 82 H LYS 82 -0.788 -11.112 9.527 647 HA LYS 82 HA LYS 82 0.600 -9.386 11.417 648 HB2 LYS 82 1HB LYS 82 2.234 -9.414 9.732 649 HB3 LYS 82 2HB LYS 82 1.052 -9.432 8.439 650 HG2 LYS 82 1HG LYS 82 1.881 -7.189 8.490 651 HG3 LYS 82 2HG LYS 82 0.301 -7.106 9.242 652 HD2 LYS 82 1HD LYS 82 1.202 -6.881 11.427 653 HD3 LYS 82 2HD LYS 82 2.748 -7.567 10.970 654 HE2 LYS 82 1HE LYS 82 2.866 -5.443 9.349 655 HE3 LYS 82 2HE LYS 82 1.686 -4.780 10.463 656 HZ1 LYS 82 1HZ LYS 82 4.166 -5.989 11.436 657 HZ2 LYS 82 2HZ LYS 82 4.107 -4.422 10.980 658 HZ3 LYS 82 3HZ LYS 82 3.173 -4.949 12.212 659 H ILE 83 H ILE 83 -1.021 -8.254 12.337 660 HA ILE 83 HA ILE 83 -3.403 -7.745 10.757 661 HB ILE 83 HB ILE 83 -2.772 -7.320 13.680 662 HG12 ILE 83 1HG1 ILE 83 -2.875 -9.696 12.878 663 HG13 ILE 83 2HG1 ILE 83 -4.041 -9.278 14.118 664 HG21 ILE 83 1HG2 ILE 83 -4.531 -5.967 13.744 665 HG22 ILE 83 2HG2 ILE 83 -4.907 -6.276 12.031 666 HG23 ILE 83 3HG2 ILE 83 -5.546 -7.358 13.292 667 HD11 ILE 83 1HD1 ILE 83 -4.514 -10.227 11.403 668 HD12 ILE 83 2HD1 ILE 83 -5.668 -10.055 12.748 669 HD13 ILE 83 3HD1 ILE 83 -5.341 -8.674 11.673 670 H ILE 84 H ILE 84 -2.529 -6.225 9.234 671 HA ILE 84 HA ILE 84 -1.002 -4.064 9.707 672 HB ILE 84 HB ILE 84 -3.414 -4.307 7.909 673 HG12 ILE 84 1HG1 ILE 84 -0.456 -4.775 7.433 674 HG13 ILE 84 2HG1 ILE 84 -1.708 -5.999 7.499 675 HG21 ILE 84 1HG2 ILE 84 -2.882 -2.351 6.838 676 HG22 ILE 84 2HG2 ILE 84 -2.475 -1.925 8.517 677 HG23 ILE 84 3HG2 ILE 84 -1.186 -2.380 7.377 678 HD11 ILE 84 1HD1 ILE 84 -2.774 -4.298 5.615 679 HD12 ILE 84 2HD1 ILE 84 -1.031 -4.099 5.314 680 HD13 ILE 84 3HD1 ILE 84 -1.769 -5.716 5.227 681 HA PRO 85 HA PRO 85 -3.220 -1.554 12.443 682 HB2 PRO 85 1HB PRO 85 -1.760 0.747 12.236 683 HB3 PRO 85 2HB PRO 85 -1.281 -0.605 13.242 684 HG2 PRO 85 1HG PRO 85 -0.176 0.249 10.636 685 HG3 PRO 85 2HG PRO 85 0.539 -0.806 11.839 686 HD2 PRO 85 1HD PRO 85 -0.692 -1.602 9.374 687 HD3 PRO 85 2HD PRO 85 -0.081 -2.660 10.630 688 H VAL 86 H VAL 86 -2.337 0.124 9.459 689 HA VAL 86 HA VAL 86 -3.549 1.354 8.080 690 HB VAL 86 HB VAL 86 -5.874 -0.041 9.420 691 HG11 VAL 86 1HG1 VAL 86 -7.153 0.576 7.381 692 HG12 VAL 86 2HG1 VAL 86 -6.666 1.989 8.348 693 HG13 VAL 86 3HG1 VAL 86 -5.784 1.585 6.856 694 HG21 VAL 86 1HG2 VAL 86 -4.551 -1.704 8.407 695 HG22 VAL 86 2HG2 VAL 86 -5.813 -1.343 7.204 696 HG23 VAL 86 3HG2 VAL 86 -4.175 -0.677 7.002 697 H ASP 87 H ASP 87 -5.772 1.336 10.950 698 HA ASP 87 HA ASP 87 -6.475 3.900 10.876 699 HB2 ASP 87 1HB ASP 87 -7.169 2.060 12.533 700 HB3 ASP 87 2HB ASP 87 -5.740 2.461 13.465 701 H LYS 88 H LYS 88 -3.342 2.519 11.760 702 HA LYS 88 HA LYS 88 -2.438 4.977 13.005 703 HB2 LYS 88 1HB LYS 88 -0.737 2.553 12.444 704 HB3 LYS 88 2HB LYS 88 -0.551 3.764 13.696 705 HG2 LYS 88 1HG LYS 88 -2.647 2.972 14.793 706 HG3 LYS 88 2HG LYS 88 -2.870 1.782 13.526 707 HD2 LYS 88 1HD LYS 88 -1.823 0.515 15.212 708 HD3 LYS 88 2HD LYS 88 -0.471 0.940 14.182 709 HE2 LYS 88 1HE LYS 88 0.507 1.742 16.082 710 HE3 LYS 88 2HE LYS 88 -0.557 3.122 15.893 711 HZ1 LYS 88 1HZ LYS 88 -0.640 1.953 18.075 712 HZ2 LYS 88 2HZ LYS 88 -2.091 2.179 17.360 713 HZ3 LYS 88 3HZ LYS 88 -1.386 0.706 17.331 714 H LEU 89 H LEU 89 -2.060 3.067 9.991 715 HA LEU 89 HA LEU 89 -0.004 4.724 8.959 716 HB2 LEU 89 1HB LEU 89 -1.882 2.940 7.415 717 HB3 LEU 89 2HB LEU 89 -0.285 3.485 6.943 718 HG LEU 89 HG LEU 89 -0.772 1.706 9.342 719 HD11 LEU 89 1HD1 LEU 89 -0.028 -0.171 7.889 720 HD12 LEU 89 2HD1 LEU 89 -1.608 0.509 7.431 721 HD13 LEU 89 3HD1 LEU 89 -0.155 0.913 6.484 722 HD21 LEU 89 1HD2 LEU 89 1.742 1.171 8.478 723 HD22 LEU 89 2HD2 LEU 89 1.605 2.893 8.050 724 HD23 LEU 89 3HD2 LEU 89 1.342 2.370 9.731 725 H VAL 90 H VAL 90 -3.555 4.426 8.244 726 HA VAL 90 HA VAL 90 -3.684 6.525 6.459 727 HB VAL 90 HB VAL 90 -6.061 6.529 6.942 728 HG11 VAL 90 1HG1 VAL 90 -5.588 3.632 7.222 729 HG12 VAL 90 2HG1 VAL 90 -6.386 4.548 5.920 730 HG13 VAL 90 3HG1 VAL 90 -4.611 4.419 5.960 731 HG21 VAL 90 1HG2 VAL 90 -5.165 5.481 9.535 732 HG22 VAL 90 2HG2 VAL 90 -6.663 6.338 9.097 733 HG23 VAL 90 3HG2 VAL 90 -6.535 4.581 8.839 734 H LYS 91 H LYS 91 -3.424 6.491 9.996 735 HA LYS 91 HA LYS 91 -4.252 9.193 10.321 736 HB2 LYS 91 1HB LYS 91 -3.025 7.077 12.061 737 HB3 LYS 91 2HB LYS 91 -3.007 8.743 12.604 738 HG2 LYS 91 1HG LYS 91 -5.555 7.397 11.610 739 HG3 LYS 91 2HG LYS 91 -5.052 7.309 13.286 740 HD2 LYS 91 1HD LYS 91 -5.331 9.972 11.832 741 HD3 LYS 91 2HD LYS 91 -6.690 9.214 12.638 742 HE2 LYS 91 1HE LYS 91 -5.872 9.665 14.748 743 HE3 LYS 91 2HE LYS 91 -4.209 9.366 14.286 744 HZ1 LYS 91 1HZ LYS 91 -5.777 11.797 13.842 745 HZ2 LYS 91 2HZ LYS 91 -4.369 11.636 14.653 746 HZ3 LYS 91 3HZ LYS 91 -4.391 11.515 13.025 747 H GLY 92 H GLY 92 -1.325 7.563 9.304 748 HA2 GLY 92 1HA GLY 92 0.650 8.374 8.600 749 HA3 GLY 92 2HA GLY 92 -0.062 9.975 8.581 750 H LYS 93 H LYS 93 1.197 7.478 10.899 751 HA LYS 93 HA LYS 93 1.998 9.679 12.657 752 HB2 LYS 93 1HB LYS 93 1.201 6.836 13.084 753 HB3 LYS 93 2HB LYS 93 2.414 7.497 14.161 754 HG2 LYS 93 1HG LYS 93 0.333 9.478 13.840 755 HG3 LYS 93 2HG LYS 93 -0.432 7.942 14.198 756 HD2 LYS 93 1HD LYS 93 0.595 7.751 16.299 757 HD3 LYS 93 2HD LYS 93 1.978 8.722 15.835 758 HE2 LYS 93 1HE LYS 93 0.930 10.362 17.053 759 HE3 LYS 93 2HE LYS 93 0.000 10.601 15.587 760 HZ1 LYS 93 1HZ LYS 93 -1.029 8.505 17.201 761 HZ2 LYS 93 2HZ LYS 93 -1.007 9.934 17.989 762 HZ3 LYS 93 3HZ LYS 93 -1.797 9.799 16.566 763 H PHE 94 H PHE 94 3.239 8.435 10.020 764 HA PHE 94 HA PHE 94 5.260 8.059 9.227 765 HB2 PHE 94 1HB PHE 94 5.831 10.205 10.260 766 HB3 PHE 94 2HB PHE 94 5.841 9.505 11.866 767 HD1 PHE 94 2HD PHE 94 7.635 9.263 8.607 768 HD2 PHE 94 1HD PHE 94 7.864 8.915 12.830 769 HE1 PHE 94 2HE PHE 94 10.117 8.923 8.444 770 HE2 PHE 94 1HE PHE 94 10.345 8.575 12.668 771 HZ PHE 94 HZ PHE 94 11.442 8.583 10.477 772 H GLN 95 H GLN 95 6.259 7.773 12.687 773 HA GLN 95 HA GLN 95 7.825 5.619 12.366 774 HB2 GLN 95 1HB GLN 95 7.689 6.944 14.443 775 HB3 GLN 95 2HB GLN 95 6.089 6.312 14.777 776 HG2 GLN 95 1HG GLN 95 6.927 4.084 15.150 777 HG3 GLN 95 2HG GLN 95 8.477 4.458 14.424 778 HE21 GLN 95 1HE2 GLN 95 9.202 3.502 16.479 779 HE22 GLN 95 2HE2 GLN 95 9.418 4.528 17.857 780 H ASP 96 H ASP 96 4.328 5.549 13.371 781 HA ASP 96 HA ASP 96 4.058 2.867 13.571 782 HB2 ASP 96 1HB ASP 96 2.288 5.181 13.029 783 HB3 ASP 96 2HB ASP 96 1.651 3.677 12.393 784 H ASN 97 H ASN 97 4.607 4.861 10.741 785 HA ASN 97 HA ASN 97 3.548 2.886 8.942 786 HB2 ASN 97 1HB ASN 97 4.144 5.710 8.833 787 HB3 ASN 97 2HB ASN 97 5.126 4.931 7.609 788 HD21 ASN 97 1HD2 ASN 97 2.101 6.131 8.418 789 HD22 ASN 97 2HD2 ASN 97 1.160 5.511 7.103 790 H PHE 98 H PHE 98 6.697 4.623 9.570 791 HA PHE 98 HA PHE 98 8.270 3.088 7.901 792 HB2 PHE 98 1HB PHE 98 8.736 5.287 9.211 793 HB3 PHE 98 2HB PHE 98 8.976 4.300 10.639 794 HD1 PHE 98 1HD PHE 98 10.683 2.228 10.137 795 HD2 PHE 98 2HD PHE 98 10.651 5.977 8.149 796 HE1 PHE 98 1HE PHE 98 13.096 1.920 9.519 797 HE2 PHE 98 2HE PHE 98 13.065 5.670 7.531 798 HZ PHE 98 HZ PHE 98 14.258 3.645 8.224 799 H GLU 99 H GLU 99 7.254 2.555 11.311 800 HA GLU 99 HA GLU 99 8.991 0.340 11.614 801 HB2 GLU 99 1HB GLU 99 6.592 1.219 13.281 802 HB3 GLU 99 2HB GLU 99 7.768 0.015 13.767 803 HG2 GLU 99 1HG GLU 99 8.683 2.794 12.958 804 HG3 GLU 99 2HG GLU 99 8.064 2.510 14.572 805 H PHE 100 H PHE 100 6.233 0.788 9.769 806 HA PHE 100 HA PHE 100 5.328 -1.967 10.193 807 HB2 PHE 100 1HB PHE 100 3.509 -0.386 10.405 808 HB3 PHE 100 2HB PHE 100 4.147 0.643 9.139 809 HD1 PHE 100 1HD PHE 100 3.973 -0.122 6.744 810 HD2 PHE 100 2HD PHE 100 1.959 -2.103 9.911 811 HE1 PHE 100 1HE PHE 100 2.428 -1.202 5.087 812 HE2 PHE 100 2HE PHE 100 0.414 -3.182 8.253 813 HZ PHE 100 HZ PHE 100 0.667 -2.719 5.861 814 H VAL 101 H VAL 101 6.630 0.386 7.845 815 HA VAL 101 HA VAL 101 6.238 -1.358 5.611 816 HB VAL 101 HB VAL 101 6.218 1.087 5.441 817 HG11 VAL 101 1HG1 VAL 101 9.203 1.192 5.724 818 HG12 VAL 101 2HG1 VAL 101 7.991 2.478 5.931 819 HG13 VAL 101 3HG1 VAL 101 8.191 1.233 7.187 820 HG21 VAL 101 1HG2 VAL 101 8.469 -0.244 3.896 821 HG22 VAL 101 2HG2 VAL 101 6.744 -0.236 3.458 822 HG23 VAL 101 3HG2 VAL 101 7.671 1.284 3.452 823 H GLN 102 H GLN 102 8.952 -0.422 7.799 824 HA GLN 102 HA GLN 102 10.940 -1.744 6.459 825 HB2 GLN 102 1HB GLN 102 12.200 -1.608 8.525 826 HB3 GLN 102 2HB GLN 102 11.223 -0.160 8.393 827 HG2 GLN 102 1HG GLN 102 9.922 -0.707 10.209 828 HG3 GLN 102 2HG GLN 102 9.855 -2.405 9.781 829 HE21 GLN 102 1HE2 GLN 102 11.386 0.031 11.632 830 HE22 GLN 102 2HE2 GLN 102 12.543 -0.944 12.475 831 H TRP 103 H TRP 103 8.231 -2.998 8.289 832 HA TRP 103 HA TRP 103 9.489 -5.573 8.708 833 HB2 TRP 103 1HB TRP 103 8.126 -4.834 10.487 834 HB3 TRP 103 2HB TRP 103 6.811 -4.390 9.416 835 HD1 TRP 103 HD TRP 103 8.176 -7.367 11.335 836 HE1 TRP 103 1HE TRP 103 6.623 -9.488 11.114 837 HE3 TRP 103 3HE TRP 103 5.237 -5.480 7.639 838 HZ2 TRP 103 2HZ TRP 103 4.389 -10.125 9.456 839 HZ3 TRP 103 3HZ TRP 103 3.392 -6.917 6.776 840 HH2 TRP 103 HH TRP 103 2.946 -9.166 7.624 841 H PHE 104 H PHE 104 6.907 -3.987 6.734 842 HA PHE 104 HA PHE 104 5.972 -6.242 5.452 843 HB2 PHE 104 1HB PHE 104 5.932 -3.319 5.263 844 HB3 PHE 104 2HB PHE 104 6.104 -3.972 3.646 845 HD1 PHE 104 2HD PHE 104 3.987 -4.181 6.691 846 HD2 PHE 104 1HD PHE 104 4.242 -4.813 2.502 847 HE1 PHE 104 2HE PHE 104 1.518 -4.624 6.607 848 HE2 PHE 104 1HE PHE 104 1.773 -5.256 2.419 849 HZ PHE 104 HZ PHE 104 0.440 -5.156 4.472 850 H LYS 105 H LYS 105 9.007 -4.484 5.060 851 HA LYS 105 HA LYS 105 9.499 -5.641 2.459 852 HB2 LYS 105 1HB LYS 105 10.194 -3.333 2.978 853 HB3 LYS 105 2HB LYS 105 11.245 -3.924 4.249 854 HG2 LYS 105 1HG LYS 105 11.715 -5.345 1.715 855 HG3 LYS 105 2HG LYS 105 11.914 -3.615 1.527 856 HD2 LYS 105 1HD LYS 105 13.246 -3.990 3.899 857 HD3 LYS 105 2HD LYS 105 13.525 -5.547 3.144 858 HE2 LYS 105 1HE LYS 105 14.410 -4.402 1.101 859 HE3 LYS 105 2HE LYS 105 14.121 -2.843 1.847 860 HZ1 LYS 105 1HZ LYS 105 16.312 -3.305 2.310 861 HZ2 LYS 105 2HZ LYS 105 15.577 -3.743 3.701 862 HZ3 LYS 105 3HZ LYS 105 16.053 -4.885 2.634 863 H LYS 106 H LYS 106 10.921 -5.825 5.797 864 HA LYS 106 HA LYS 106 12.795 -7.746 5.315 865 HB2 LYS 106 1HB LYS 106 11.098 -7.200 7.760 866 HB3 LYS 106 2HB LYS 106 12.411 -8.360 7.757 867 HG2 LYS 106 1HG LYS 106 12.777 -5.465 6.868 868 HG3 LYS 106 2HG LYS 106 13.003 -5.976 8.529 869 HD2 LYS 106 1HD LYS 106 15.173 -6.317 7.859 870 HD3 LYS 106 2HD LYS 106 14.548 -7.850 7.284 871 HE2 LYS 106 1HE LYS 106 14.014 -5.865 5.254 872 HE3 LYS 106 2HE LYS 106 15.689 -5.696 5.740 873 HZ1 LYS 106 1HZ LYS 106 14.722 -7.564 4.062 874 HZ2 LYS 106 2HZ LYS 106 16.182 -7.616 4.791 875 HZ3 LYS 106 3HZ LYS 106 14.914 -8.410 5.446 876 H PHE 107 H PHE 107 9.312 -8.239 6.205 877 HA PHE 107 HA PHE 107 9.371 -10.995 6.212 878 HB2 PHE 107 1HB PHE 107 7.537 -9.262 6.877 879 HB3 PHE 107 2HB PHE 107 7.150 -9.139 5.172 880 HD1 PHE 107 2HD PHE 107 6.224 -11.120 3.974 881 HD2 PHE 107 1HD PHE 107 6.779 -11.105 8.181 882 HE1 PHE 107 2HE PHE 107 4.668 -13.078 4.186 883 HE2 PHE 107 1HE PHE 107 5.222 -13.063 8.393 884 HZ PHE 107 HZ PHE 107 4.186 -14.026 6.393 885 H PHE 108 H PHE 108 8.437 -8.762 3.494 886 HA PHE 108 HA PHE 108 7.836 -10.583 1.599 887 HB2 PHE 108 1HB PHE 108 9.027 -7.842 1.790 888 HB3 PHE 108 2HB PHE 108 9.378 -8.636 0.267 889 HD1 PHE 108 2HD PHE 108 6.339 -8.555 2.444 890 HD2 PHE 108 1HD PHE 108 8.009 -7.805 -1.384 891 HE1 PHE 108 2HE PHE 108 4.072 -7.906 1.583 892 HE2 PHE 108 1HE PHE 108 5.742 -7.156 -2.245 893 HZ PHE 108 HZ PHE 108 3.801 -7.214 -0.751 894 H ASP 109 H ASP 109 11.156 -9.358 2.408 895 HA ASP 109 HA ASP 109 12.570 -10.558 0.487 896 HB2 ASP 109 1HB ASP 109 13.160 -9.267 2.831 897 HB3 ASP 109 2HB ASP 109 13.664 -10.890 3.257 898 H SER 110 H SER 110 11.761 -11.977 3.753 899 HA SER 110 HA SER 110 11.523 -14.555 2.522 900 HB2 SER 110 1HB SER 110 13.940 -14.436 3.077 901 HB3 SER 110 2HB SER 110 13.554 -14.034 4.739 902 HG SER 110 HG SER 110 13.569 -16.515 3.467 903 H GLY 111 H GLY 111 10.086 -15.908 3.692 904 HA2 GLY 111 1HA GLY 111 9.336 -15.157 6.403 905 HA3 GLY 111 2HA GLY 111 8.100 -14.951 5.178 906 HA PRO 112 HA PRO 112 9.113 -19.579 5.719 907 HB2 PRO 112 1HB PRO 112 10.135 -20.326 8.141 908 HB3 PRO 112 2HB PRO 112 11.125 -20.091 6.715 909 HG2 PRO 112 1HG PRO 112 10.833 -18.339 9.078 910 HG3 PRO 112 2HG PRO 112 12.100 -18.348 7.868 911 HD2 PRO 112 1HD PRO 112 9.934 -16.479 8.071 912 HD3 PRO 112 2HD PRO 112 11.134 -16.558 6.797 913 H SER 113 H SER 113 6.820 -18.304 5.959 914 HA SER 113 HA SER 113 5.634 -19.736 8.207 915 HB2 SER 113 1HB SER 113 5.407 -16.897 7.382 916 HB3 SER 113 2HB SER 113 3.860 -17.667 7.669 917 HG SER 113 HG SER 113 6.091 -17.598 9.519 918 H SER 114 H SER 114 4.356 -21.381 7.452 919 HA SER 114 HA SER 114 2.965 -22.518 6.236 920 HB2 SER 114 1HB SER 114 2.133 -19.734 5.367 921 HB3 SER 114 2HB SER 114 1.381 -21.144 4.648 922 HG SER 114 HG SER 114 1.338 -20.292 7.398 923 H GLY 115 H GLY 115 3.190 -20.026 3.660 924 HA2 GLY 115 1HA GLY 115 5.372 -20.794 2.231 925 HA3 GLY 115 2HA GLY 115 4.162 -21.981 1.787 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 34.701 8.629 -7.110 2 HA2 GLY 1 1HA GLY 1 34.676 10.026 -9.088 3 HA3 GLY 1 2HA GLY 1 33.479 8.952 -9.785 4 H SER 2 H SER 2 31.686 10.279 -9.991 5 HA SER 2 HA SER 2 30.875 11.663 -7.559 6 HB2 SER 2 1HB SER 2 31.316 13.042 -9.649 7 HB3 SER 2 2HB SER 2 29.977 12.216 -10.420 8 HG SER 2 HG SER 2 28.654 13.584 -9.459 9 H SER 3 H SER 3 29.807 9.822 -6.604 10 HA SER 3 HA SER 3 27.162 9.509 -7.504 11 HB2 SER 3 1HB SER 3 28.614 7.913 -8.994 12 HB3 SER 3 2HB SER 3 28.759 6.929 -7.551 13 HG SER 3 HG SER 3 26.918 6.091 -8.318 14 H GLY 4 H GLY 4 26.357 9.882 -5.448 15 HA2 GLY 4 1HA GLY 4 27.127 7.953 -3.366 16 HA3 GLY 4 2HA GLY 4 27.245 9.668 -3.029 17 H SER 5 H SER 5 24.887 7.286 -4.446 18 HA SER 5 HA SER 5 22.746 8.937 -3.455 19 HB2 SER 5 1HB SER 5 21.319 7.144 -4.622 20 HB3 SER 5 2HB SER 5 22.342 8.124 -5.652 21 HG SER 5 HG SER 5 23.819 6.424 -5.865 22 H SER 6 H SER 6 23.780 5.447 -3.274 23 HA SER 6 HA SER 6 21.998 4.883 -1.192 24 HB2 SER 6 1HB SER 6 24.482 3.442 -2.211 25 HB3 SER 6 2HB SER 6 23.440 2.779 -0.968 26 HG SER 6 HG SER 6 22.408 3.623 -3.530 27 H GLY 7 H GLY 7 22.176 5.345 0.974 28 HA2 GLY 7 1HA GLY 7 23.930 5.013 2.810 29 HA3 GLY 7 2HA GLY 7 24.801 6.265 1.948 30 H GLN 8 H GLN 8 21.327 5.714 2.901 31 HA GLN 8 HA GLN 8 21.345 7.820 4.724 32 HB2 GLN 8 1HB GLN 8 21.424 8.973 2.344 33 HB3 GLN 8 2HB GLN 8 19.724 8.552 2.277 34 HG2 GLN 8 1HG GLN 8 19.353 9.739 4.457 35 HG3 GLN 8 2HG GLN 8 21.050 10.175 4.501 36 HE21 GLN 8 1HE2 GLN 8 19.719 12.276 4.671 37 HE22 GLN 8 2HE2 GLN 8 19.489 13.160 3.200 38 H ARG 9 H ARG 9 19.928 6.987 6.191 39 HA ARG 9 HA ARG 9 18.213 4.964 5.671 40 HB2 ARG 9 1HB ARG 9 18.624 6.933 7.849 41 HB3 ARG 9 2HB ARG 9 16.977 6.338 7.782 42 HG2 ARG 9 1HG ARG 9 18.436 3.997 7.435 43 HG3 ARG 9 2HG ARG 9 19.475 4.905 8.516 44 HD2 ARG 9 1HD ARG 9 16.559 4.925 9.207 45 HD3 ARG 9 2HD ARG 9 17.364 3.377 9.370 46 HE ARG 9 HE ARG 9 19.083 5.248 10.582 47 HH11 ARG 9 2HH2 ARG 9 15.787 4.111 11.057 48 HH12 ARG 9 1HH2 ARG 9 15.792 4.415 12.762 49 HH21 ARG 9 2HH1 ARG 9 19.091 5.649 12.832 50 HH22 ARG 9 1HH1 ARG 9 17.684 5.295 13.779 51 H ARG 10 H ARG 10 15.640 5.262 6.280 52 HA ARG 10 HA ARG 10 13.686 6.003 5.708 53 HB2 ARG 10 1HB ARG 10 15.266 8.466 5.677 54 HB3 ARG 10 2HB ARG 10 14.034 8.534 4.432 55 HG2 ARG 10 1HG ARG 10 13.021 7.439 6.990 56 HG3 ARG 10 2HG ARG 10 13.642 9.071 7.148 57 HD2 ARG 10 1HD ARG 10 11.662 8.256 4.970 58 HD3 ARG 10 2HD ARG 10 11.160 8.890 6.524 59 HE ARG 10 HE ARG 10 12.149 11.022 5.969 60 HH11 ARG 10 2HH2 ARG 10 12.407 8.661 3.373 61 HH12 ARG 10 1HH2 ARG 10 12.754 9.846 2.158 62 HH21 ARG 10 2HH1 ARG 10 12.607 12.585 4.367 63 HH22 ARG 10 1HH1 ARG 10 12.869 12.093 2.727 64 H HIS 11 H HIS 11 15.754 7.678 3.217 65 HA HIS 11 HA HIS 11 14.132 7.046 1.084 66 HB2 HIS 11 1HB HIS 11 15.788 8.794 0.978 67 HB3 HIS 11 2HB HIS 11 17.094 7.652 1.224 68 HD1 HIS 11 1HD HIS 11 17.346 5.779 -0.803 69 HD2 HIS 11 2HD HIS 11 15.212 9.288 -1.658 70 HE1 HIS 11 1HE HIS 11 17.262 5.963 -3.347 71 H ASP 12 H ASP 12 16.223 5.020 2.969 72 HA ASP 12 HA ASP 12 17.125 3.232 1.136 73 HB2 ASP 12 1HB ASP 12 17.489 3.341 3.697 74 HB3 ASP 12 2HB ASP 12 15.983 2.459 3.855 75 H MET 13 H MET 13 14.013 3.221 3.032 76 HA MET 13 HA MET 13 13.036 0.925 1.743 77 HB2 MET 13 1HB MET 13 11.496 3.149 3.192 78 HB3 MET 13 2HB MET 13 10.929 1.511 2.936 79 HG2 MET 13 1HG MET 13 13.338 2.333 4.629 80 HG3 MET 13 2HG MET 13 11.797 1.762 5.238 81 HE1 MET 13 1HE MET 13 10.744 -0.320 4.694 82 HE2 MET 13 2HE MET 13 11.201 -0.889 3.070 83 HE3 MET 13 3HE MET 13 11.597 -1.870 4.501 84 H LEU 14 H LEU 14 12.232 4.460 1.451 85 HA LEU 14 HA LEU 14 10.282 4.373 -0.401 86 HB2 LEU 14 1HB LEU 14 12.537 6.341 -0.644 87 HB3 LEU 14 2HB LEU 14 10.828 6.581 -0.949 88 HG LEU 14 HG LEU 14 12.292 6.481 1.672 89 HD11 LEU 14 1HD1 LEU 14 12.048 8.662 0.775 90 HD12 LEU 14 2HD1 LEU 14 10.337 8.385 0.369 91 HD13 LEU 14 3HD1 LEU 14 10.839 8.508 2.072 92 HD21 LEU 14 1HD2 LEU 14 10.687 5.104 2.461 93 HD22 LEU 14 2HD2 LEU 14 9.743 6.612 2.537 94 HD23 LEU 14 3HD2 LEU 14 9.541 5.504 1.158 95 H ALA 15 H ALA 15 13.815 3.958 -0.963 96 HA ALA 15 HA ALA 15 13.697 3.927 -3.746 97 HB1 ALA 15 1HB ALA 15 15.873 2.655 -3.492 98 HB2 ALA 15 2HB ALA 15 15.791 4.183 -2.583 99 HB3 ALA 15 3HB ALA 15 15.576 2.632 -1.737 100 H TRP 16 H TRP 16 13.386 1.291 -1.287 101 HA TRP 16 HA TRP 16 13.330 -0.885 -2.900 102 HB2 TRP 16 1HB TRP 16 13.204 -0.916 -0.451 103 HB3 TRP 16 2HB TRP 16 11.552 -0.333 -0.517 104 HD1 TRP 16 HD TRP 16 13.382 -3.377 -2.188 105 HE1 TRP 16 1HE TRP 16 11.905 -5.555 -1.987 106 HE3 TRP 16 3HE TRP 16 9.521 -1.163 0.269 107 HZ2 TRP 16 2HZ TRP 16 9.344 -6.094 -0.849 108 HZ3 TRP 16 3HZ TRP 16 7.570 -2.586 0.888 109 HH2 TRP 16 HH TRP 16 7.443 -4.971 0.369 110 H ILE 17 H ILE 17 10.223 0.546 -1.697 111 HA ILE 17 HA ILE 17 8.612 -0.535 -3.598 112 HB ILE 17 HB ILE 17 8.440 2.017 -2.020 113 HG12 ILE 17 1HG1 ILE 17 6.402 0.186 -1.362 114 HG13 ILE 17 2HG1 ILE 17 7.851 -0.781 -1.551 115 HG21 ILE 17 1HG2 ILE 17 6.819 2.780 -3.328 116 HG22 ILE 17 2HG2 ILE 17 6.878 1.320 -4.345 117 HG23 ILE 17 3HG2 ILE 17 5.854 1.350 -2.889 118 HD11 ILE 17 1HD1 ILE 17 7.563 1.697 0.210 119 HD12 ILE 17 2HD1 ILE 17 7.694 0.011 0.766 120 HD13 ILE 17 3HD1 ILE 17 9.080 0.797 -0.028 121 H ASN 18 H ASN 18 10.210 2.724 -3.724 122 HA ASN 18 HA ASN 18 9.287 3.620 -6.041 123 HB2 ASN 18 1HB ASN 18 12.076 3.711 -4.833 124 HB3 ASN 18 2HB ASN 18 11.786 4.479 -6.382 125 HD21 ASN 18 1HD2 ASN 18 12.523 6.277 -4.872 126 HD22 ASN 18 2HD2 ASN 18 11.287 7.211 -4.096 127 H GLU 19 H GLU 19 11.993 1.252 -5.545 128 HA GLU 19 HA GLU 19 12.099 0.845 -8.409 129 HB2 GLU 19 1HB GLU 19 13.980 0.544 -6.155 130 HB3 GLU 19 2HB GLU 19 14.010 -0.830 -7.242 131 HG2 GLU 19 1HG GLU 19 13.905 1.487 -8.911 132 HG3 GLU 19 2HG GLU 19 15.072 1.852 -7.655 133 H SER 20 H SER 20 9.734 -0.067 -7.876 134 HA SER 20 HA SER 20 10.043 -2.893 -8.025 135 HB2 SER 20 1HB SER 20 8.178 -1.846 -5.865 136 HB3 SER 20 2HB SER 20 8.662 -3.505 -6.155 137 HG SER 20 HG SER 20 9.767 -2.405 -4.329 138 H LEU 21 H LEU 21 7.850 -0.039 -7.685 139 HA LEU 21 HA LEU 21 6.243 -1.183 -9.855 140 HB2 LEU 21 1HB LEU 21 5.001 0.407 -7.636 141 HB3 LEU 21 2HB LEU 21 4.231 -0.629 -8.822 142 HG LEU 21 HG LEU 21 6.123 -1.851 -6.840 143 HD11 LEU 21 1HD1 LEU 21 3.485 -0.623 -6.215 144 HD12 LEU 21 2HD1 LEU 21 3.838 -2.219 -5.511 145 HD13 LEU 21 3HD1 LEU 21 4.926 -0.846 -5.193 146 HD21 LEU 21 1HD2 LEU 21 5.335 -3.771 -7.633 147 HD22 LEU 21 2HD2 LEU 21 3.647 -3.256 -7.398 148 HD23 LEU 21 3HD2 LEU 21 4.508 -2.828 -8.896 149 H GLN 22 H GLN 22 8.460 1.070 -9.062 150 HA GLN 22 HA GLN 22 9.089 2.927 -10.004 151 HB2 GLN 22 1HB GLN 22 7.057 1.977 -11.900 152 HB3 GLN 22 2HB GLN 22 7.161 3.726 -11.894 153 HG2 GLN 22 1HG GLN 22 9.851 2.934 -11.834 154 HG3 GLN 22 2HG GLN 22 9.111 1.735 -12.876 155 HE21 GLN 22 1HE2 GLN 22 10.917 3.352 -13.961 156 HE22 GLN 22 2HE2 GLN 22 10.209 4.529 -15.016 157 H LEU 23 H LEU 23 8.452 3.682 -7.754 158 HA LEU 23 HA LEU 23 6.131 5.472 -7.876 159 HB2 LEU 23 1HB LEU 23 7.561 4.356 -5.461 160 HB3 LEU 23 2HB LEU 23 6.138 5.379 -5.446 161 HG LEU 23 HG LEU 23 5.522 3.083 -5.012 162 HD11 LEU 23 1HD1 LEU 23 3.766 2.798 -6.637 163 HD12 LEU 23 2HD1 LEU 23 3.972 4.533 -6.300 164 HD13 LEU 23 3HD1 LEU 23 4.619 3.836 -7.804 165 HD21 LEU 23 1HD2 LEU 23 6.150 1.246 -6.204 166 HD22 LEU 23 2HD2 LEU 23 6.283 2.140 -7.738 167 HD23 LEU 23 3HD2 LEU 23 7.565 2.282 -6.510 168 H ASN 24 H ASN 24 6.999 7.056 -5.590 169 HA ASN 24 HA ASN 24 9.552 8.053 -5.992 170 HB2 ASN 24 1HB ASN 24 8.189 8.841 -8.137 171 HB3 ASN 24 2HB ASN 24 7.460 9.998 -7.042 172 HD21 ASN 24 1HD2 ASN 24 8.821 11.461 -5.876 173 HD22 ASN 24 2HD2 ASN 24 10.340 11.979 -6.528 174 H LEU 25 H LEU 25 8.801 7.554 -3.619 175 HA LEU 25 HA LEU 25 7.176 9.721 -2.524 176 HB2 LEU 25 1HB LEU 25 8.139 7.181 -1.205 177 HB3 LEU 25 2HB LEU 25 7.000 8.339 -0.548 178 HG LEU 25 HG LEU 25 6.565 6.567 -2.967 179 HD11 LEU 25 1HD1 LEU 25 4.748 5.605 -1.497 180 HD12 LEU 25 2HD1 LEU 25 6.420 5.241 -1.009 181 HD13 LEU 25 3HD1 LEU 25 5.491 6.487 -0.142 182 HD21 LEU 25 1HD2 LEU 25 5.254 8.311 -3.595 183 HD22 LEU 25 2HD2 LEU 25 4.117 7.518 -2.479 184 HD23 LEU 25 3HD2 LEU 25 5.066 8.922 -1.934 185 H THR 26 H THR 26 7.949 11.100 -0.867 186 HA THR 26 HA THR 26 10.887 11.164 -0.722 187 HB THR 26 HB THR 26 9.684 13.115 -1.794 188 HG1 THR 26 1HG THR 26 10.767 13.594 0.891 189 HG21 THR 26 1HG2 THR 26 8.850 14.280 0.763 190 HG22 THR 26 2HG2 THR 26 7.936 14.167 -0.760 191 HG23 THR 26 3HG2 THR 26 7.901 12.819 0.401 192 H LYS 27 H LYS 27 7.944 10.641 1.079 193 HA LYS 27 HA LYS 27 9.588 10.535 3.505 194 HB2 LYS 27 1HB LYS 27 6.730 11.538 3.407 195 HB3 LYS 27 2HB LYS 27 7.773 11.454 4.812 196 HG2 LYS 27 1HG LYS 27 9.341 13.082 3.772 197 HG3 LYS 27 2HG LYS 27 8.353 13.134 2.326 198 HD2 LYS 27 1HD LYS 27 7.766 15.067 3.663 199 HD3 LYS 27 2HD LYS 27 6.414 13.955 3.739 200 HE2 LYS 27 1HE LYS 27 7.360 13.058 5.930 201 HE3 LYS 27 2HE LYS 27 8.578 14.317 5.866 202 HZ1 LYS 27 1HZ LYS 27 6.204 14.615 6.988 203 HZ2 LYS 27 2HZ LYS 27 7.086 15.863 6.410 204 HZ3 LYS 27 3HZ LYS 27 5.882 15.228 5.509 205 H ILE 28 H ILE 28 8.730 8.993 5.146 206 HA ILE 28 HA ILE 28 7.929 6.595 3.827 207 HB ILE 28 HB ILE 28 8.766 7.411 6.564 208 HG12 ILE 28 1HG1 ILE 28 10.317 6.659 4.696 209 HG13 ILE 28 2HG1 ILE 28 10.496 5.855 6.243 210 HG21 ILE 28 1HG2 ILE 28 8.276 4.823 7.051 211 HG22 ILE 28 2HG2 ILE 28 7.127 6.122 7.450 212 HG23 ILE 28 3HG2 ILE 28 6.911 5.168 5.963 213 HD11 ILE 28 1HD1 ILE 28 8.858 4.061 5.310 214 HD12 ILE 28 2HD1 ILE 28 9.176 4.794 3.720 215 HD13 ILE 28 3HD1 ILE 28 10.513 4.083 4.656 216 H GLU 29 H GLU 29 6.357 9.217 5.605 217 HA GLU 29 HA GLU 29 4.059 7.789 6.290 218 HB2 GLU 29 1HB GLU 29 5.075 10.437 6.602 219 HB3 GLU 29 2HB GLU 29 3.509 10.606 5.834 220 HG2 GLU 29 1HG GLU 29 2.537 9.069 7.612 221 HG3 GLU 29 2HG GLU 29 4.096 9.076 8.412 222 H GLN 30 H GLN 30 5.305 8.656 3.253 223 HA GLN 30 HA GLN 30 2.962 9.433 1.954 224 HB2 GLN 30 1HB GLN 30 5.634 8.332 1.057 225 HB3 GLN 30 2HB GLN 30 4.345 8.534 -0.112 226 HG2 GLN 30 1HG GLN 30 4.880 10.856 1.719 227 HG3 GLN 30 2HG GLN 30 6.096 10.518 0.503 228 HE21 GLN 30 1HE2 GLN 30 5.620 12.462 -0.530 229 HE22 GLN 30 2HE2 GLN 30 4.226 12.673 -1.536 230 H LEU 31 H LEU 31 3.836 6.473 3.383 231 HA LEU 31 HA LEU 31 2.354 4.874 1.454 232 HB2 LEU 31 1HB LEU 31 3.575 3.802 3.965 233 HB3 LEU 31 2HB LEU 31 3.306 3.009 2.425 234 HG LEU 31 HG LEU 31 5.184 5.270 2.271 235 HD11 LEU 31 1HD1 LEU 31 6.851 4.603 3.653 236 HD12 LEU 31 2HD1 LEU 31 5.478 3.982 4.600 237 HD13 LEU 31 3HD1 LEU 31 6.406 2.883 3.552 238 HD21 LEU 31 1HD2 LEU 31 5.882 2.474 1.504 239 HD22 LEU 31 2HD2 LEU 31 4.563 3.280 0.622 240 HD23 LEU 31 3HD2 LEU 31 6.185 4.011 0.659 241 H CYS 32 H CYS 32 1.081 7.036 3.089 242 HA CYS 32 HA CYS 32 -0.507 5.475 4.949 243 HB2 CYS 32 1HB CYS 32 -1.429 7.642 5.661 244 HB3 CYS 32 2HB CYS 32 0.320 7.614 5.762 245 HG CYS 32 HG CYS 32 0.433 9.739 4.692 246 H SER 33 H SER 33 -0.631 4.935 2.051 247 HA SER 33 HA SER 33 -3.333 5.909 1.536 248 HB2 SER 33 1HB SER 33 -2.645 5.251 -0.930 249 HB3 SER 33 2HB SER 33 -2.137 6.787 -0.258 250 HG SER 33 HG SER 33 -0.536 5.044 -1.325 251 H GLY 34 H GLY 34 -1.009 3.161 1.062 252 HA2 GLY 34 1HA GLY 34 -1.437 0.943 1.513 253 HA3 GLY 34 2HA GLY 34 -3.153 1.275 1.635 254 H ALA 35 H ALA 35 -0.723 1.967 -0.981 255 HA ALA 35 HA ALA 35 -2.407 0.347 -2.767 256 HB1 ALA 35 1HB ALA 35 -2.513 2.037 -4.291 257 HB2 ALA 35 2HB ALA 35 -2.216 3.069 -2.871 258 HB3 ALA 35 3HB ALA 35 -0.864 2.603 -3.932 259 H ALA 36 H ALA 36 0.860 1.916 -2.428 260 HA ALA 36 HA ALA 36 2.297 0.528 -4.194 261 HB1 ALA 36 1HB ALA 36 4.095 0.569 -2.226 262 HB2 ALA 36 2HB ALA 36 3.521 2.073 -2.984 263 HB3 ALA 36 3HB ALA 36 2.845 1.549 -1.423 264 H TYR 37 H TYR 37 1.636 -0.632 -0.808 265 HA TYR 37 HA TYR 37 2.844 -3.071 -0.984 266 HB2 TYR 37 1HB TYR 37 0.091 -2.446 0.242 267 HB3 TYR 37 2HB TYR 37 1.246 -3.617 0.848 268 HD1 TYR 37 2HD TYR 37 3.706 -2.444 1.290 269 HD2 TYR 37 1HD TYR 37 -0.105 -0.511 1.492 270 HE1 TYR 37 2HE TYR 37 4.677 -0.676 2.837 271 HE2 TYR 37 1HE TYR 37 0.878 1.251 3.038 272 HH TYR 37 HH TYR 37 4.219 0.989 4.174 273 H CYS 38 H CYS 38 -0.657 -2.366 -1.691 274 HA CYS 38 HA CYS 38 -1.463 -4.826 -2.402 275 HB2 CYS 38 1HB CYS 38 -2.257 -2.078 -3.182 276 HB3 CYS 38 2HB CYS 38 -2.791 -3.346 -4.268 277 HG CYS 38 HG CYS 38 -3.609 -2.565 -1.261 278 H GLN 39 H GLN 39 -0.380 -2.344 -4.844 279 HA GLN 39 HA GLN 39 -0.190 -3.893 -6.986 280 HB2 GLN 39 1HB GLN 39 0.685 -1.352 -6.287 281 HB3 GLN 39 2HB GLN 39 2.190 -2.152 -6.694 282 HG2 GLN 39 1HG GLN 39 0.664 -3.018 -8.782 283 HG3 GLN 39 2HG GLN 39 -0.155 -1.505 -8.450 284 HE21 GLN 39 1HE2 GLN 39 2.394 -2.992 -10.007 285 HE22 GLN 39 2HE2 GLN 39 3.361 -1.615 -10.418 286 H PHE 40 H PHE 40 2.458 -3.469 -4.532 287 HA PHE 40 HA PHE 40 4.333 -5.088 -5.668 288 HB2 PHE 40 1HB PHE 40 3.806 -3.743 -3.233 289 HB3 PHE 40 2HB PHE 40 3.944 -5.415 -2.726 290 HD1 PHE 40 2HD PHE 40 6.025 -6.346 -4.680 291 HD2 PHE 40 1HD PHE 40 5.764 -2.805 -2.357 292 HE1 PHE 40 2HE PHE 40 8.527 -6.147 -4.703 293 HE2 PHE 40 1HE PHE 40 8.266 -2.605 -2.380 294 HZ PHE 40 HZ PHE 40 9.617 -4.279 -3.553 295 H MET 41 H MET 41 1.654 -6.039 -3.413 296 HA MET 41 HA MET 41 2.331 -8.670 -3.171 297 HB2 MET 41 1HB MET 41 -0.153 -7.000 -2.948 298 HB3 MET 41 2HB MET 41 -0.444 -8.718 -3.137 299 HG2 MET 41 1HG MET 41 1.377 -7.482 -1.012 300 HG3 MET 41 2HG MET 41 -0.263 -8.031 -0.727 301 HE1 MET 41 1HE MET 41 -1.032 -9.909 -0.325 302 HE2 MET 41 2HE MET 41 -0.655 -11.295 -1.377 303 HE3 MET 41 3HE MET 41 -0.089 -11.279 0.311 304 H ASP 42 H ASP 42 -0.200 -7.325 -5.424 305 HA ASP 42 HA ASP 42 -0.832 -9.533 -6.748 306 HB2 ASP 42 1HB ASP 42 -1.400 -6.937 -7.101 307 HB3 ASP 42 2HB ASP 42 -0.218 -7.069 -8.388 308 H MET 43 H MET 43 2.174 -7.610 -6.989 309 HA MET 43 HA MET 43 3.078 -8.827 -9.362 310 HB2 MET 43 1HB MET 43 3.814 -6.663 -7.706 311 HB3 MET 43 2HB MET 43 5.147 -7.783 -7.501 312 HG2 MET 43 1HG MET 43 5.247 -7.954 -10.072 313 HG3 MET 43 2HG MET 43 4.112 -6.621 -10.127 314 HE1 MET 43 1HE MET 43 7.366 -6.537 -7.286 315 HE2 MET 43 2HE MET 43 6.979 -7.955 -8.290 316 HE3 MET 43 3HE MET 43 8.340 -6.896 -8.732 317 H LEU 44 H LEU 44 3.542 -9.430 -5.846 318 HA LEU 44 HA LEU 44 5.430 -11.544 -6.384 319 HB2 LEU 44 1HB LEU 44 4.193 -10.467 -3.850 320 HB3 LEU 44 2HB LEU 44 5.321 -11.807 -3.890 321 HG LEU 44 HG LEU 44 5.906 -8.983 -4.823 322 HD11 LEU 44 1HD1 LEU 44 7.604 -9.428 -2.761 323 HD12 LEU 44 2HD1 LEU 44 6.025 -8.622 -2.605 324 HD13 LEU 44 3HD1 LEU 44 6.183 -10.352 -2.218 325 HD21 LEU 44 1HD2 LEU 44 7.172 -10.601 -6.119 326 HD22 LEU 44 2HD2 LEU 44 8.243 -9.734 -4.993 327 HD23 LEU 44 3HD2 LEU 44 7.727 -11.398 -4.627 328 H PHE 45 H PHE 45 2.235 -11.351 -4.651 329 HA PHE 45 HA PHE 45 1.836 -14.149 -5.392 330 HB2 PHE 45 1HB PHE 45 0.431 -12.233 -3.433 331 HB3 PHE 45 2HB PHE 45 0.046 -13.935 -3.586 332 HD1 PHE 45 1HD PHE 45 2.611 -11.540 -2.472 333 HD2 PHE 45 2HD PHE 45 1.409 -15.609 -2.555 334 HE1 PHE 45 1HE PHE 45 4.348 -12.088 -0.745 335 HE2 PHE 45 2HE PHE 45 3.146 -16.157 -0.828 336 HZ PHE 45 HZ PHE 45 4.595 -14.391 0.056 337 HA PRO 46 HA PRO 46 -1.017 -12.495 -8.317 338 HB2 PRO 46 1HB PRO 46 -1.286 -14.766 -9.814 339 HB3 PRO 46 2HB PRO 46 -0.031 -13.575 -10.095 340 HG2 PRO 46 1HG PRO 46 0.193 -16.242 -8.839 341 HG3 PRO 46 2HG PRO 46 1.461 -15.233 -9.508 342 HD2 PRO 46 1HD PRO 46 0.861 -15.620 -6.730 343 HD3 PRO 46 2HD PRO 46 2.051 -14.524 -7.402 344 H GLY 47 H GLY 47 -3.088 -12.079 -7.912 345 HA2 GLY 47 1HA GLY 47 -5.268 -12.608 -7.536 346 HA3 GLY 47 2HA GLY 47 -4.857 -14.310 -7.471 347 H SER 48 H SER 48 -3.416 -11.611 -5.544 348 HA SER 48 HA SER 48 -4.422 -13.001 -3.186 349 HB2 SER 48 1HB SER 48 -2.476 -11.832 -2.008 350 HB3 SER 48 2HB SER 48 -2.036 -13.091 -3.145 351 HG SER 48 HG SER 48 -1.478 -11.513 -4.702 352 H ILE 49 H ILE 49 -4.020 -9.900 -4.908 353 HA ILE 49 HA ILE 49 -5.755 -8.665 -2.883 354 HB ILE 49 HB ILE 49 -4.120 -6.837 -4.470 355 HG12 ILE 49 1HG1 ILE 49 -2.573 -8.820 -4.200 356 HG13 ILE 49 2HG1 ILE 49 -1.992 -7.295 -3.563 357 HG21 ILE 49 1HG2 ILE 49 -3.619 -6.242 -1.896 358 HG22 ILE 49 2HG2 ILE 49 -5.089 -5.725 -2.757 359 HG23 ILE 49 3HG2 ILE 49 -5.134 -7.157 -1.699 360 HD11 ILE 49 1HD1 ILE 49 -2.139 -7.988 -1.359 361 HD12 ILE 49 2HD1 ILE 49 -3.548 -9.030 -1.671 362 HD13 ILE 49 3HD1 ILE 49 -1.917 -9.579 -2.125 363 H ALA 50 H ALA 50 -6.622 -6.437 -4.130 364 HA ALA 50 HA ALA 50 -7.738 -7.440 -6.659 365 HB1 ALA 50 1HB ALA 50 -9.051 -6.752 -4.189 366 HB2 ALA 50 2HB ALA 50 -9.521 -5.576 -5.440 367 HB3 ALA 50 3HB ALA 50 -9.772 -7.316 -5.716 368 H LEU 51 H LEU 51 -5.605 -6.262 -7.319 369 HA LEU 51 HA LEU 51 -5.188 -3.595 -7.041 370 HB2 LEU 51 1HB LEU 51 -4.306 -5.713 -8.733 371 HB3 LEU 51 2HB LEU 51 -4.604 -4.308 -9.737 372 HG LEU 51 HG LEU 51 -2.732 -4.506 -7.367 373 HD11 LEU 51 1HD1 LEU 51 -1.161 -3.649 -9.305 374 HD12 LEU 51 2HD1 LEU 51 -1.538 -5.378 -9.115 375 HD13 LEU 51 3HD1 LEU 51 -2.396 -4.409 -10.337 376 HD21 LEU 51 1HD2 LEU 51 -4.137 -2.200 -8.293 377 HD22 LEU 51 2HD2 LEU 51 -2.891 -2.322 -7.028 378 HD23 LEU 51 3HD2 LEU 51 -2.418 -2.023 -8.717 379 H LYS 52 H LYS 52 -7.776 -5.228 -8.771 380 HA LYS 52 HA LYS 52 -8.462 -2.809 -10.218 381 HB2 LYS 52 1HB LYS 52 -9.882 -4.127 -11.493 382 HB3 LYS 52 2HB LYS 52 -8.559 -5.220 -11.140 383 HG2 LYS 52 1HG LYS 52 -10.096 -6.664 -10.302 384 HG3 LYS 52 2HG LYS 52 -10.287 -5.566 -8.949 385 HD2 LYS 52 1HD LYS 52 -11.886 -4.309 -10.780 386 HD3 LYS 52 2HD LYS 52 -12.049 -5.962 -11.341 387 HE2 LYS 52 1HE LYS 52 -12.288 -6.196 -8.547 388 HE3 LYS 52 2HE LYS 52 -13.130 -4.701 -8.902 389 HZ1 LYS 52 1HZ LYS 52 -13.881 -7.355 -9.524 390 HZ2 LYS 52 2HZ LYS 52 -14.792 -5.999 -9.506 391 HZ3 LYS 52 3HZ LYS 52 -13.944 -6.396 -10.845 392 H LYS 53 H LYS 53 -8.409 -2.427 -7.430 393 HA LYS 53 HA LYS 53 -11.101 -1.571 -7.043 394 HB2 LYS 53 1HB LYS 53 -10.750 -4.144 -6.272 395 HB3 LYS 53 2HB LYS 53 -10.247 -3.329 -4.805 396 HG2 LYS 53 1HG LYS 53 -12.358 -2.156 -4.614 397 HG3 LYS 53 2HG LYS 53 -12.835 -2.604 -6.240 398 HD2 LYS 53 1HD LYS 53 -14.042 -4.084 -4.789 399 HD3 LYS 53 2HD LYS 53 -12.758 -5.054 -5.483 400 HE2 LYS 53 1HE LYS 53 -12.618 -5.599 -3.192 401 HE3 LYS 53 2HE LYS 53 -11.374 -4.376 -3.359 402 HZ1 LYS 53 1HZ LYS 53 -12.786 -2.773 -2.449 403 HZ2 LYS 53 2HZ LYS 53 -14.120 -3.706 -2.582 404 HZ3 LYS 53 3HZ LYS 53 -12.967 -4.080 -1.488 405 H VAL 54 H VAL 54 -7.838 -2.219 -5.643 406 HA VAL 54 HA VAL 54 -7.840 -0.439 -3.591 407 HB VAL 54 HB VAL 54 -6.036 -1.956 -4.014 408 HG11 VAL 54 1HG1 VAL 54 -6.218 -1.692 -6.564 409 HG12 VAL 54 2HG1 VAL 54 -5.131 -0.297 -6.373 410 HG13 VAL 54 3HG1 VAL 54 -4.593 -1.919 -5.875 411 HG21 VAL 54 1HG2 VAL 54 -4.106 -0.491 -3.662 412 HG22 VAL 54 2HG2 VAL 54 -5.042 0.905 -4.249 413 HG23 VAL 54 3HG2 VAL 54 -5.516 0.086 -2.741 414 H LYS 55 H LYS 55 -7.080 1.788 -3.364 415 HA LYS 55 HA LYS 55 -7.796 3.352 -5.736 416 HB2 LYS 55 1HB LYS 55 -8.056 3.816 -2.780 417 HB3 LYS 55 2HB LYS 55 -7.932 5.191 -3.858 418 HG2 LYS 55 1HG LYS 55 -9.783 3.521 -5.155 419 HG3 LYS 55 2HG LYS 55 -10.181 3.323 -3.460 420 HD2 LYS 55 1HD LYS 55 -10.681 5.617 -3.164 421 HD3 LYS 55 2HD LYS 55 -9.715 6.113 -4.539 422 HE2 LYS 55 1HE LYS 55 -11.887 6.317 -5.406 423 HE3 LYS 55 2HE LYS 55 -11.448 4.713 -5.959 424 HZ1 LYS 55 1HZ LYS 55 -12.914 3.781 -4.586 425 HZ2 LYS 55 2HZ LYS 55 -12.621 4.802 -3.345 426 HZ3 LYS 55 3HZ LYS 55 -13.623 5.252 -4.554 427 H PHE 56 H PHE 56 -5.942 3.626 -6.917 428 HA PHE 56 HA PHE 56 -3.478 4.166 -5.497 429 HB2 PHE 56 1HB PHE 56 -4.444 3.550 -8.313 430 HB3 PHE 56 2HB PHE 56 -2.892 4.348 -8.158 431 HD1 PHE 56 1HD PHE 56 -4.342 1.765 -5.913 432 HD2 PHE 56 2HD PHE 56 -1.393 2.683 -8.823 433 HE1 PHE 56 1HE PHE 56 -3.242 -0.453 -5.499 434 HE2 PHE 56 2HE PHE 56 -0.293 0.465 -8.409 435 HZ PHE 56 HZ PHE 56 -1.231 -1.076 -6.752 436 H GLN 57 H GLN 57 -5.563 6.170 -5.198 437 HA GLN 57 HA GLN 57 -4.046 8.412 -5.843 438 HB2 GLN 57 1HB GLN 57 -5.852 7.544 -7.928 439 HB3 GLN 57 2HB GLN 57 -6.444 9.059 -7.277 440 HG2 GLN 57 1HG GLN 57 -3.550 8.611 -8.144 441 HG3 GLN 57 2HG GLN 57 -4.778 9.302 -9.186 442 HE21 GLN 57 1HE2 GLN 57 -3.866 11.281 -9.392 443 HE22 GLN 57 2HE2 GLN 57 -3.731 12.443 -8.114 444 H ALA 58 H ALA 58 -5.336 7.146 -3.563 445 HA ALA 58 HA ALA 58 -7.756 8.503 -2.971 446 HB1 ALA 58 1HB ALA 58 -6.006 6.492 -1.804 447 HB2 ALA 58 2HB ALA 58 -6.529 7.668 -0.575 448 HB3 ALA 58 3HB ALA 58 -7.741 6.778 -1.528 449 H LYS 59 H LYS 59 -8.097 10.488 -2.050 450 HA LYS 59 HA LYS 59 -5.679 11.922 -1.193 451 HB2 LYS 59 1HB LYS 59 -7.799 12.632 -3.088 452 HB3 LYS 59 2HB LYS 59 -7.558 13.853 -1.855 453 HG2 LYS 59 1HG LYS 59 -5.528 14.465 -2.698 454 HG3 LYS 59 2HG LYS 59 -4.996 12.803 -2.857 455 HD2 LYS 59 1HD LYS 59 -5.173 14.017 -5.063 456 HD3 LYS 59 2HD LYS 59 -6.132 12.552 -4.995 457 HE2 LYS 59 1HE LYS 59 -7.970 13.767 -5.531 458 HE3 LYS 59 2HE LYS 59 -7.832 14.609 -4.000 459 HZ1 LYS 59 1HZ LYS 59 -5.983 15.839 -5.450 460 HZ2 LYS 59 2HZ LYS 59 -7.066 15.478 -6.617 461 HZ3 LYS 59 3HZ LYS 59 -7.526 16.357 -5.320 462 H LEU 60 H LEU 60 -8.509 10.384 -0.196 463 HA LEU 60 HA LEU 60 -8.723 12.182 2.119 464 HB2 LEU 60 1HB LEU 60 -10.885 10.287 1.271 465 HB3 LEU 60 2HB LEU 60 -10.992 11.710 2.287 466 HG LEU 60 HG LEU 60 -10.609 11.647 -0.716 467 HD11 LEU 60 1HD1 LEU 60 -12.928 12.143 1.099 468 HD12 LEU 60 2HD1 LEU 60 -12.815 13.078 -0.411 469 HD13 LEU 60 3HD1 LEU 60 -12.852 11.299 -0.466 470 HD21 LEU 60 1HD2 LEU 60 -9.603 13.622 -0.542 471 HD22 LEU 60 2HD2 LEU 60 -11.154 14.273 0.041 472 HD23 LEU 60 3HD2 LEU 60 -9.928 13.715 1.205 473 H GLU 61 H GLU 61 -9.059 11.139 4.221 474 HA GLU 61 HA GLU 61 -7.300 9.004 4.539 475 HB2 GLU 61 1HB GLU 61 -8.718 10.858 6.199 476 HB3 GLU 61 2HB GLU 61 -9.078 9.255 6.810 477 HG2 GLU 61 1HG GLU 61 -6.756 8.737 7.149 478 HG3 GLU 61 2HG GLU 61 -6.224 10.071 6.145 479 H HIS 62 H HIS 62 -10.916 9.217 4.864 480 HA HIS 62 HA HIS 62 -11.531 6.725 5.572 481 HB2 HIS 62 1HB HIS 62 -13.645 7.018 4.508 482 HB3 HIS 62 2HB HIS 62 -13.114 8.580 5.099 483 HD1 HIS 62 1HD HIS 62 -13.993 6.742 1.977 484 HD2 HIS 62 2HD HIS 62 -12.320 10.438 3.043 485 HE1 HIS 62 1HE HIS 62 -14.066 8.191 -0.121 486 H GLU 63 H GLU 63 -10.224 7.768 2.425 487 HA GLU 63 HA GLU 63 -10.795 5.363 1.106 488 HB2 GLU 63 1HB GLU 63 -8.508 7.237 0.408 489 HB3 GLU 63 2HB GLU 63 -9.450 6.234 -0.677 490 HG2 GLU 63 1HG GLU 63 -11.269 7.965 0.763 491 HG3 GLU 63 2HG GLU 63 -9.965 8.948 0.127 492 H TYR 64 H TYR 64 -7.663 6.706 2.397 493 HA TYR 64 HA TYR 64 -5.965 4.716 1.958 494 HB2 TYR 64 1HB TYR 64 -6.534 6.090 4.660 495 HB3 TYR 64 2HB TYR 64 -4.986 5.411 4.199 496 HD1 TYR 64 2HD TYR 64 -5.692 6.597 1.189 497 HD2 TYR 64 1HD TYR 64 -5.149 8.176 5.128 498 HE1 TYR 64 2HE TYR 64 -5.005 8.837 0.204 499 HE2 TYR 64 1HE TYR 64 -4.464 10.412 4.129 500 HH TYR 64 HH TYR 64 -4.700 10.988 0.670 501 H ILE 65 H ILE 65 -8.515 4.696 4.516 502 HA ILE 65 HA ILE 65 -7.745 2.393 5.813 503 HB ILE 65 HB ILE 65 -10.296 3.876 5.423 504 HG12 ILE 65 1HG1 ILE 65 -9.838 3.326 8.119 505 HG13 ILE 65 2HG1 ILE 65 -8.229 3.545 7.459 506 HG21 ILE 65 1HG2 ILE 65 -10.110 1.009 6.176 507 HG22 ILE 65 2HG2 ILE 65 -11.155 2.041 7.182 508 HG23 ILE 65 3HG2 ILE 65 -11.441 1.924 5.429 509 HD11 ILE 65 1HD1 ILE 65 -9.647 5.640 8.279 510 HD12 ILE 65 2HD1 ILE 65 -8.627 5.761 6.826 511 HD13 ILE 65 3HD1 ILE 65 -10.381 5.507 6.663 512 H GLN 66 H GLN 66 -10.480 2.519 3.427 513 HA GLN 66 HA GLN 66 -10.758 -0.097 3.041 514 HB2 GLN 66 1HB GLN 66 -10.935 2.158 1.004 515 HB3 GLN 66 2HB GLN 66 -11.464 0.527 0.644 516 HG2 GLN 66 1HG GLN 66 -13.288 0.638 2.086 517 HG3 GLN 66 2HG GLN 66 -12.485 1.727 3.200 518 HE21 GLN 66 1HE2 GLN 66 -12.338 3.941 2.731 519 HE22 GLN 66 2HE2 GLN 66 -13.425 4.730 1.636 520 H ASN 67 H ASN 67 -8.488 2.029 1.156 521 HA ASN 67 HA ASN 67 -7.453 0.343 -0.570 522 HB2 ASN 67 1HB ASN 67 -5.938 2.266 1.266 523 HB3 ASN 67 2HB ASN 67 -5.182 1.495 -0.115 524 HD21 ASN 67 1HD2 ASN 67 -4.827 3.335 -1.255 525 HD22 ASN 67 2HD2 ASN 67 -6.071 4.298 -1.980 526 H PHE 68 H PHE 68 -6.368 0.670 2.896 527 HA PHE 68 HA PHE 68 -4.531 -1.448 2.773 528 HB2 PHE 68 1HB PHE 68 -6.024 0.194 4.852 529 HB3 PHE 68 2HB PHE 68 -5.185 -1.237 5.416 530 HD1 PHE 68 1HD PHE 68 -2.670 -1.423 4.534 531 HD2 PHE 68 2HD PHE 68 -4.871 2.189 4.869 532 HE1 PHE 68 1HE PHE 68 -0.524 -0.125 4.636 533 HE2 PHE 68 2HE PHE 68 -2.726 3.488 4.971 534 HZ PHE 68 HZ PHE 68 -0.578 2.315 4.853 535 H LYS 69 H LYS 69 -7.970 -1.221 3.878 536 HA LYS 69 HA LYS 69 -8.313 -3.634 5.022 537 HB2 LYS 69 1HB LYS 69 -10.219 -2.251 3.110 538 HB3 LYS 69 2HB LYS 69 -10.657 -3.502 4.256 539 HG2 LYS 69 1HG LYS 69 -9.453 -1.856 6.004 540 HG3 LYS 69 2HG LYS 69 -9.821 -0.650 4.787 541 HD2 LYS 69 1HD LYS 69 -11.972 -0.568 5.490 542 HD3 LYS 69 2HD LYS 69 -12.177 -2.266 5.108 543 HE2 LYS 69 1HE LYS 69 -12.628 -2.292 7.402 544 HE3 LYS 69 2HE LYS 69 -10.915 -2.661 7.412 545 HZ1 LYS 69 1HZ LYS 69 -11.428 -0.910 8.945 546 HZ2 LYS 69 2HZ LYS 69 -10.481 -0.315 7.755 547 HZ3 LYS 69 3HZ LYS 69 -12.081 0.014 7.767 548 H ILE 70 H ILE 70 -8.161 -2.920 1.490 549 HA ILE 70 HA ILE 70 -8.723 -5.568 0.709 550 HB ILE 70 HB ILE 70 -7.437 -3.223 -0.680 551 HG12 ILE 70 1HG1 ILE 70 -10.187 -4.464 -0.979 552 HG13 ILE 70 2HG1 ILE 70 -9.835 -3.034 -0.030 553 HG21 ILE 70 1HG2 ILE 70 -6.798 -4.502 -2.373 554 HG22 ILE 70 2HG2 ILE 70 -7.254 -5.946 -1.437 555 HG23 ILE 70 3HG2 ILE 70 -8.438 -5.177 -2.521 556 HD11 ILE 70 1HD1 ILE 70 -10.660 -2.710 -2.485 557 HD12 ILE 70 2HD1 ILE 70 -9.272 -1.739 -1.938 558 HD13 ILE 70 3HD1 ILE 70 -9.007 -3.181 -2.947 559 H LEU 71 H LEU 71 -5.614 -3.700 0.941 560 HA LEU 71 HA LEU 71 -3.925 -5.729 0.223 561 HB2 LEU 71 1HB LEU 71 -3.246 -3.426 0.479 562 HB3 LEU 71 2HB LEU 71 -3.538 -3.485 2.206 563 HG LEU 71 HG LEU 71 -1.110 -3.683 1.232 564 HD11 LEU 71 1HD1 LEU 71 -1.215 -5.720 3.268 565 HD12 LEU 71 2HD1 LEU 71 -0.633 -4.041 3.369 566 HD13 LEU 71 3HD1 LEU 71 -2.352 -4.406 3.652 567 HD21 LEU 71 1HD2 LEU 71 -1.913 -5.700 -0.191 568 HD22 LEU 71 2HD2 LEU 71 -0.323 -5.771 0.607 569 HD23 LEU 71 3HD2 LEU 71 -1.714 -6.627 1.316 570 H GLN 72 H GLN 72 -5.125 -4.904 3.547 571 HA GLN 72 HA GLN 72 -3.785 -6.832 4.898 572 HB2 GLN 72 1HB GLN 72 -5.086 -5.114 6.032 573 HB3 GLN 72 2HB GLN 72 -6.584 -5.717 5.350 574 HG2 GLN 72 1HG GLN 72 -6.793 -6.947 7.253 575 HG3 GLN 72 2HG GLN 72 -5.553 -7.991 6.586 576 HE21 GLN 72 1HE2 GLN 72 -3.560 -8.046 7.441 577 HE22 GLN 72 2HE2 GLN 72 -3.035 -7.138 8.820 578 H ALA 73 H ALA 73 -6.765 -7.113 2.925 579 HA ALA 73 HA ALA 73 -7.435 -9.717 3.758 580 HB1 ALA 73 1HB ALA 73 -9.188 -9.406 2.349 581 HB2 ALA 73 2HB ALA 73 -8.593 -7.732 2.250 582 HB3 ALA 73 3HB ALA 73 -8.140 -8.913 0.998 583 H GLY 74 H GLY 74 -4.953 -8.401 1.663 584 HA2 GLY 74 1HA GLY 74 -4.584 -10.686 0.008 585 HA3 GLY 74 2HA GLY 74 -3.470 -9.356 0.257 586 H PHE 75 H PHE 75 -3.844 -9.960 3.350 587 HA PHE 75 HA PHE 75 -1.617 -11.809 3.413 588 HB2 PHE 75 1HB PHE 75 -3.096 -9.915 5.297 589 HB3 PHE 75 2HB PHE 75 -2.038 -11.128 5.990 590 HD1 PHE 75 2HD PHE 75 -0.928 -10.005 2.786 591 HD2 PHE 75 1HD PHE 75 -0.887 -9.047 6.920 592 HE1 PHE 75 2HE PHE 75 1.043 -8.497 2.416 593 HE2 PHE 75 1HE PHE 75 1.085 -7.538 6.550 594 HZ PHE 75 HZ PHE 75 2.027 -7.281 4.303 595 H LYS 76 H LYS 76 -4.946 -11.473 4.818 596 HA LYS 76 HA LYS 76 -4.861 -13.978 6.107 597 HB2 LYS 76 1HB LYS 76 -6.899 -13.405 6.908 598 HB3 LYS 76 2HB LYS 76 -6.413 -11.814 6.360 599 HG2 LYS 76 1HG LYS 76 -7.527 -12.375 4.107 600 HG3 LYS 76 2HG LYS 76 -8.187 -13.803 4.877 601 HD2 LYS 76 1HD LYS 76 -8.697 -11.576 6.630 602 HD3 LYS 76 2HD LYS 76 -9.151 -11.078 5.012 603 HE2 LYS 76 1HE LYS 76 -10.027 -13.834 5.713 604 HE3 LYS 76 2HE LYS 76 -10.741 -12.587 6.715 605 HZ1 LYS 76 1HZ LYS 76 -11.397 -11.444 4.688 606 HZ2 LYS 76 2HZ LYS 76 -10.774 -12.648 3.777 607 HZ3 LYS 76 3HZ LYS 76 -12.044 -12.942 4.762 608 H ARG 77 H ARG 77 -5.827 -12.857 2.850 609 HA ARG 77 HA ARG 77 -7.218 -15.074 2.076 610 HB2 ARG 77 1HB ARG 77 -5.590 -12.969 0.652 611 HB3 ARG 77 2HB ARG 77 -6.087 -14.365 -0.283 612 HG2 ARG 77 1HG ARG 77 -8.469 -13.963 0.404 613 HG3 ARG 77 2HG ARG 77 -7.962 -12.551 1.310 614 HD2 ARG 77 1HD ARG 77 -6.890 -11.770 -0.981 615 HD3 ARG 77 2HD ARG 77 -7.956 -12.962 -1.699 616 HE ARG 77 HE ARG 77 -9.353 -11.216 0.180 617 HH11 ARG 77 2HH2 ARG 77 -8.203 -11.503 -3.134 618 HH12 ARG 77 1HH2 ARG 77 -9.358 -10.379 -3.767 619 HH21 ARG 77 2HH1 ARG 77 -10.877 -9.733 -0.655 620 HH22 ARG 77 1HH1 ARG 77 -10.889 -9.365 -2.348 621 H MET 78 H MET 78 -3.671 -14.340 1.769 622 HA MET 78 HA MET 78 -3.161 -16.921 0.686 623 HB2 MET 78 1HB MET 78 -1.240 -14.804 1.805 624 HB3 MET 78 2HB MET 78 -0.784 -16.141 0.768 625 HG2 MET 78 1HG MET 78 -2.525 -13.746 0.043 626 HG3 MET 78 2HG MET 78 -0.975 -14.183 -0.648 627 HE1 MET 78 1HE MET 78 -0.873 -17.056 -1.713 628 HE2 MET 78 2HE MET 78 -1.631 -16.677 -3.279 629 HE3 MET 78 3HE MET 78 -0.576 -15.481 -2.487 630 H GLY 79 H GLY 79 -1.899 -15.232 3.659 631 HA2 GLY 79 1HA GLY 79 -2.603 -16.916 5.619 632 HA3 GLY 79 2HA GLY 79 -1.286 -17.797 4.871 633 H VAL 80 H VAL 80 -2.068 -14.401 5.926 634 HA VAL 80 HA VAL 80 0.542 -14.356 7.247 635 HB VAL 80 HB VAL 80 -0.569 -12.295 5.337 636 HG11 VAL 80 1HG1 VAL 80 1.054 -10.750 5.995 637 HG12 VAL 80 2HG1 VAL 80 0.487 -11.422 7.543 638 HG13 VAL 80 3HG1 VAL 80 2.025 -11.978 6.842 639 HG21 VAL 80 1HG2 VAL 80 1.510 -12.659 4.103 640 HG22 VAL 80 2HG2 VAL 80 2.041 -13.849 5.316 641 HG23 VAL 80 3HG2 VAL 80 0.622 -14.189 4.297 642 H ASP 81 H ASP 81 0.116 -14.098 9.373 643 HA ASP 81 HA ASP 81 -2.340 -12.755 10.072 644 HB2 ASP 81 1HB ASP 81 -1.479 -14.992 11.088 645 HB3 ASP 81 2HB ASP 81 -0.312 -14.020 11.961 646 H LYS 82 H LYS 82 -1.137 -10.681 9.190 647 HA LYS 82 HA LYS 82 0.517 -9.573 11.351 648 HB2 LYS 82 1HB LYS 82 1.967 -9.740 9.525 649 HB3 LYS 82 2HB LYS 82 0.727 -9.323 8.360 650 HG2 LYS 82 1HG LYS 82 2.067 -7.355 8.554 651 HG3 LYS 82 2HG LYS 82 0.621 -7.003 9.480 652 HD2 LYS 82 1HD LYS 82 1.755 -7.479 11.586 653 HD3 LYS 82 2HD LYS 82 3.154 -8.129 10.755 654 HE2 LYS 82 1HE LYS 82 3.743 -5.936 9.860 655 HE3 LYS 82 2HE LYS 82 2.227 -5.243 10.402 656 HZ1 LYS 82 1HZ LYS 82 4.598 -5.560 11.837 657 HZ2 LYS 82 2HZ LYS 82 3.233 -4.786 12.288 658 HZ3 LYS 82 3HZ LYS 82 3.413 -6.377 12.607 659 H ILE 83 H ILE 83 -0.375 -7.915 12.457 660 HA ILE 83 HA ILE 83 -2.919 -6.923 11.577 661 HB ILE 83 HB ILE 83 -1.197 -6.333 13.985 662 HG12 ILE 83 1HG1 ILE 83 -2.117 -8.643 13.798 663 HG13 ILE 83 2HG1 ILE 83 -2.679 -7.756 15.202 664 HG21 ILE 83 1HG2 ILE 83 -3.779 -5.573 14.606 665 HG22 ILE 83 2HG2 ILE 83 -2.422 -4.485 14.225 666 HG23 ILE 83 3HG2 ILE 83 -3.563 -4.967 12.946 667 HD11 ILE 83 1HD1 ILE 83 -4.470 -7.235 12.975 668 HD12 ILE 83 2HD1 ILE 83 -4.266 -8.991 13.187 669 HD13 ILE 83 3HD1 ILE 83 -4.832 -7.990 14.546 670 H ILE 84 H ILE 84 -3.036 -5.432 9.986 671 HA ILE 84 HA ILE 84 -0.807 -3.649 9.571 672 HB ILE 84 HB ILE 84 -3.409 -4.116 8.121 673 HG12 ILE 84 1HG1 ILE 84 -0.531 -4.867 7.579 674 HG13 ILE 84 2HG1 ILE 84 -1.903 -5.934 7.801 675 HG21 ILE 84 1HG2 ILE 84 -1.284 -2.483 6.849 676 HG22 ILE 84 2HG2 ILE 84 -3.056 -2.383 6.714 677 HG23 ILE 84 3HG2 ILE 84 -2.232 -1.699 8.136 678 HD11 ILE 84 1HD1 ILE 84 -1.170 -4.250 5.414 679 HD12 ILE 84 2HD1 ILE 84 -1.766 -5.926 5.477 680 HD13 ILE 84 3HD1 ILE 84 -2.893 -4.570 5.722 681 HA PRO 85 HA PRO 85 -2.671 -0.637 12.122 682 HB2 PRO 85 1HB PRO 85 -0.620 1.168 12.069 683 HB3 PRO 85 2HB PRO 85 -0.684 -0.177 13.191 684 HG2 PRO 85 1HG PRO 85 0.982 0.139 10.770 685 HG3 PRO 85 2HG PRO 85 1.195 -0.967 12.113 686 HD2 PRO 85 1HD PRO 85 0.168 -1.604 9.511 687 HD3 PRO 85 2HD PRO 85 0.273 -2.682 10.889 688 H VAL 86 H VAL 86 -4.166 -0.642 10.120 689 HA VAL 86 HA VAL 86 -3.708 1.383 8.232 690 HB VAL 86 HB VAL 86 -6.316 0.149 9.138 691 HG11 VAL 86 1HG1 VAL 86 -6.835 0.574 6.630 692 HG12 VAL 86 2HG1 VAL 86 -6.902 1.945 7.763 693 HG13 VAL 86 3HG1 VAL 86 -5.485 1.731 6.708 694 HG21 VAL 86 1HG2 VAL 86 -4.808 -1.642 8.602 695 HG22 VAL 86 2HG2 VAL 86 -5.928 -1.442 7.232 696 HG23 VAL 86 3HG2 VAL 86 -4.265 -0.816 7.121 697 H ASP 87 H ASP 87 -6.094 1.285 10.981 698 HA ASP 87 HA ASP 87 -7.036 3.732 10.900 699 HB2 ASP 87 1HB ASP 87 -7.385 1.924 12.690 700 HB3 ASP 87 2HB ASP 87 -5.947 2.531 13.486 701 H LYS 88 H LYS 88 -3.719 2.761 11.767 702 HA LYS 88 HA LYS 88 -3.057 5.444 12.661 703 HB2 LYS 88 1HB LYS 88 -1.386 2.916 12.528 704 HB3 LYS 88 2HB LYS 88 -0.871 4.442 13.216 705 HG2 LYS 88 1HG LYS 88 -2.695 4.343 14.892 706 HG3 LYS 88 2HG LYS 88 -3.312 2.870 14.169 707 HD2 LYS 88 1HD LYS 88 -2.013 2.109 16.012 708 HD3 LYS 88 2HD LYS 88 -0.980 1.838 14.623 709 HE2 LYS 88 1HE LYS 88 0.541 3.449 15.263 710 HE3 LYS 88 2HE LYS 88 -0.699 4.541 15.846 711 HZ1 LYS 88 1HZ LYS 88 0.150 2.106 17.254 712 HZ2 LYS 88 2HZ LYS 88 0.661 3.614 17.615 713 HZ3 LYS 88 3HZ LYS 88 -0.911 3.218 17.806 714 H LEU 89 H LEU 89 -1.832 3.043 10.218 715 HA LEU 89 HA LEU 89 -0.134 4.652 8.867 716 HB2 LEU 89 1HB LEU 89 -1.984 2.481 7.905 717 HB3 LEU 89 2HB LEU 89 -0.835 3.263 6.838 718 HG LEU 89 HG LEU 89 -0.070 1.828 9.395 719 HD11 LEU 89 1HD1 LEU 89 0.440 -0.099 8.180 720 HD12 LEU 89 2HD1 LEU 89 -1.136 0.414 7.530 721 HD13 LEU 89 3HD1 LEU 89 0.355 0.745 6.615 722 HD21 LEU 89 1HD2 LEU 89 1.514 3.109 7.173 723 HD22 LEU 89 2HD2 LEU 89 1.641 3.352 8.932 724 HD23 LEU 89 3HD2 LEU 89 2.204 1.830 8.200 725 H VAL 90 H VAL 90 -3.724 4.521 8.572 726 HA VAL 90 HA VAL 90 -3.826 6.363 6.433 727 HB VAL 90 HB VAL 90 -6.216 6.452 6.980 728 HG11 VAL 90 1HG1 VAL 90 -4.734 4.242 6.111 729 HG12 VAL 90 2HG1 VAL 90 -5.900 3.576 7.279 730 HG13 VAL 90 3HG1 VAL 90 -6.477 4.521 5.886 731 HG21 VAL 90 1HG2 VAL 90 -5.261 5.488 9.570 732 HG22 VAL 90 2HG2 VAL 90 -6.801 6.266 9.135 733 HG23 VAL 90 3HG2 VAL 90 -6.602 4.509 8.929 734 H LYS 91 H LYS 91 -3.753 6.619 9.998 735 HA LYS 91 HA LYS 91 -4.462 9.371 10.025 736 HB2 LYS 91 1HB LYS 91 -3.497 7.350 12.013 737 HB3 LYS 91 2HB LYS 91 -3.349 9.048 12.419 738 HG2 LYS 91 1HG LYS 91 -5.818 9.322 11.801 739 HG3 LYS 91 2HG LYS 91 -5.908 7.579 11.637 740 HD2 LYS 91 1HD LYS 91 -6.300 7.451 13.866 741 HD3 LYS 91 2HD LYS 91 -4.651 7.978 14.139 742 HE2 LYS 91 1HE LYS 91 -5.574 10.406 13.822 743 HE3 LYS 91 2HE LYS 91 -7.163 9.692 14.012 744 HZ1 LYS 91 1HZ LYS 91 -5.079 10.029 15.962 745 HZ2 LYS 91 2HZ LYS 91 -6.701 10.048 16.155 746 HZ3 LYS 91 3HZ LYS 91 -5.907 8.624 16.063 747 H GLY 92 H GLY 92 -1.648 7.622 9.097 748 HA2 GLY 92 1HA GLY 92 0.291 8.439 8.247 749 HA3 GLY 92 2HA GLY 92 -0.199 10.067 8.671 750 H LYS 93 H LYS 93 0.678 6.954 10.346 751 HA LYS 93 HA LYS 93 1.986 8.566 12.404 752 HB2 LYS 93 1HB LYS 93 0.988 5.712 12.339 753 HB3 LYS 93 2HB LYS 93 2.031 6.314 13.611 754 HG2 LYS 93 1HG LYS 93 -0.236 8.128 13.049 755 HG3 LYS 93 2HG LYS 93 -0.760 6.529 13.538 756 HD2 LYS 93 1HD LYS 93 0.772 6.677 15.541 757 HD3 LYS 93 2HD LYS 93 1.199 8.309 15.066 758 HE2 LYS 93 1HE LYS 93 -1.432 8.704 15.075 759 HE3 LYS 93 2HE LYS 93 -1.461 7.270 16.081 760 HZ1 LYS 93 1HZ LYS 93 0.555 9.059 16.912 761 HZ2 LYS 93 2HZ LYS 93 -0.902 9.797 16.896 762 HZ3 LYS 93 3HZ LYS 93 -0.687 8.433 17.769 763 H PHE 94 H PHE 94 3.828 9.178 11.122 764 HA PHE 94 HA PHE 94 5.392 7.729 9.550 765 HB2 PHE 94 1HB PHE 94 5.898 10.043 10.190 766 HB3 PHE 94 2HB PHE 94 6.033 9.613 11.883 767 HD1 PHE 94 1HD PHE 94 7.711 9.466 8.615 768 HD2 PHE 94 2HD PHE 94 8.076 8.724 12.777 769 HE1 PHE 94 1HE PHE 94 10.194 9.207 8.351 770 HE2 PHE 94 2HE PHE 94 10.558 8.465 12.514 771 HZ PHE 94 HZ PHE 94 11.588 8.709 10.304 772 H GLN 95 H GLN 95 5.109 7.343 13.095 773 HA GLN 95 HA GLN 95 7.374 5.701 13.324 774 HB2 GLN 95 1HB GLN 95 6.370 6.952 15.227 775 HB3 GLN 95 2HB GLN 95 4.931 5.956 15.134 776 HG2 GLN 95 1HG GLN 95 6.378 3.914 15.543 777 HG3 GLN 95 2HG GLN 95 7.757 4.975 15.756 778 HE21 GLN 95 1HE2 GLN 95 4.810 3.760 17.083 779 HE22 GLN 95 2HE2 GLN 95 4.928 4.448 18.668 780 H ASP 96 H ASP 96 3.812 5.043 13.113 781 HA ASP 96 HA ASP 96 4.326 2.236 13.024 782 HB2 ASP 96 1HB ASP 96 2.086 3.969 13.535 783 HB3 ASP 96 2HB ASP 96 1.642 2.947 12.183 784 H ASN 97 H ASN 97 5.021 4.531 10.865 785 HA ASN 97 HA ASN 97 3.747 3.210 8.610 786 HB2 ASN 97 1HB ASN 97 4.433 5.985 9.233 787 HB3 ASN 97 2HB ASN 97 5.219 5.510 7.741 788 HD21 ASN 97 1HD2 ASN 97 2.344 6.454 9.249 789 HD22 ASN 97 2HD2 ASN 97 1.236 6.248 7.934 790 H PHE 98 H PHE 98 6.809 4.093 10.215 791 HA PHE 98 HA PHE 98 8.366 3.067 7.985 792 HB2 PHE 98 1HB PHE 98 8.882 5.218 9.312 793 HB3 PHE 98 2HB PHE 98 9.139 4.222 10.731 794 HD1 PHE 98 2HD PHE 98 10.866 2.191 10.259 795 HD2 PHE 98 1HD PHE 98 10.762 5.884 8.171 796 HE1 PHE 98 2HE PHE 98 13.273 1.893 9.613 797 HE2 PHE 98 1HE PHE 98 13.170 5.586 7.525 798 HZ PHE 98 HZ PHE 98 14.396 3.594 8.254 799 H GLU 99 H GLU 99 7.348 2.279 11.313 800 HA GLU 99 HA GLU 99 9.217 0.135 11.499 801 HB2 GLU 99 1HB GLU 99 6.832 0.869 13.256 802 HB3 GLU 99 2HB GLU 99 8.036 -0.340 13.655 803 HG2 GLU 99 1HG GLU 99 9.817 1.485 13.437 804 HG3 GLU 99 2HG GLU 99 8.517 2.649 13.270 805 H PHE 100 H PHE 100 6.252 0.631 9.897 806 HA PHE 100 HA PHE 100 5.427 -2.148 10.190 807 HB2 PHE 100 1HB PHE 100 3.586 -0.619 10.333 808 HB3 PHE 100 2HB PHE 100 4.300 0.490 9.179 809 HD1 PHE 100 2HD PHE 100 4.245 -0.085 6.736 810 HD2 PHE 100 1HD PHE 100 2.089 -2.317 9.630 811 HE1 PHE 100 2HE PHE 100 2.801 -1.043 4.921 812 HE2 PHE 100 1HE PHE 100 0.644 -3.275 7.815 813 HZ PHE 100 HZ PHE 100 1.017 -2.627 5.482 814 H VAL 101 H VAL 101 6.787 0.191 7.855 815 HA VAL 101 HA VAL 101 6.442 -1.568 5.626 816 HB VAL 101 HB VAL 101 6.409 0.846 5.383 817 HG11 VAL 101 1HG1 VAL 101 9.311 1.248 5.702 818 HG12 VAL 101 2HG1 VAL 101 7.946 2.273 6.204 819 HG13 VAL 101 3HG1 VAL 101 8.448 0.900 7.219 820 HG21 VAL 101 1HG2 VAL 101 8.140 1.054 3.552 821 HG22 VAL 101 2HG2 VAL 101 8.721 -0.562 4.020 822 HG23 VAL 101 3HG2 VAL 101 7.058 -0.353 3.422 823 H GLN 102 H GLN 102 8.991 -0.780 8.015 824 HA GLN 102 HA GLN 102 11.072 -2.026 6.692 825 HB2 GLN 102 1HB GLN 102 12.251 -1.900 8.784 826 HB3 GLN 102 2HB GLN 102 11.217 -0.487 8.706 827 HG2 GLN 102 1HG GLN 102 9.661 -1.377 10.276 828 HG3 GLN 102 2HG GLN 102 10.215 -3.022 10.039 829 HE21 GLN 102 1HE2 GLN 102 9.968 -2.171 12.539 830 HE22 GLN 102 2HE2 GLN 102 11.498 -1.892 13.303 831 H TRP 103 H TRP 103 8.350 -3.298 8.563 832 HA TRP 103 HA TRP 103 9.559 -5.888 8.905 833 HB2 TRP 103 1HB TRP 103 8.133 -5.195 10.644 834 HB3 TRP 103 2HB TRP 103 6.866 -4.703 9.537 835 HD1 TRP 103 HD TRP 103 8.105 -7.743 11.434 836 HE1 TRP 103 1HE TRP 103 6.537 -9.838 11.091 837 HE3 TRP 103 3HE TRP 103 5.363 -5.730 7.655 838 HZ2 TRP 103 2HZ TRP 103 4.374 -10.405 9.318 839 HZ3 TRP 103 3HZ TRP 103 3.542 -7.121 6.673 840 HH2 TRP 103 HH TRP 103 3.030 -9.383 7.445 841 H PHE 104 H PHE 104 7.015 -4.290 6.884 842 HA PHE 104 HA PHE 104 6.106 -6.486 5.530 843 HB2 PHE 104 1HB PHE 104 6.225 -3.557 5.311 844 HB3 PHE 104 2HB PHE 104 6.393 -4.256 3.713 845 HD1 PHE 104 2HD PHE 104 4.219 -4.382 6.732 846 HD2 PHE 104 1HD PHE 104 4.500 -4.917 2.531 847 HE1 PHE 104 2HE PHE 104 1.731 -4.693 6.605 848 HE2 PHE 104 1HE PHE 104 2.013 -5.228 2.404 849 HZ PHE 104 HZ PHE 104 0.658 -5.112 4.443 850 H LYS 105 H LYS 105 8.994 -4.424 4.832 851 HA LYS 105 HA LYS 105 9.636 -5.662 2.408 852 HB2 LYS 105 1HB LYS 105 10.485 -3.468 3.096 853 HB3 LYS 105 2HB LYS 105 11.395 -4.202 4.401 854 HG2 LYS 105 1HG LYS 105 12.896 -5.300 2.914 855 HG3 LYS 105 2HG LYS 105 11.799 -5.167 1.553 856 HD2 LYS 105 1HD LYS 105 12.587 -3.105 0.984 857 HD3 LYS 105 2HD LYS 105 12.477 -2.519 2.632 858 HE2 LYS 105 1HE LYS 105 14.618 -4.117 2.974 859 HE3 LYS 105 2HE LYS 105 14.792 -3.872 1.247 860 HZ1 LYS 105 1HZ LYS 105 15.376 -2.094 3.312 861 HZ2 LYS 105 2HZ LYS 105 15.653 -1.918 1.712 862 HZ3 LYS 105 3HZ LYS 105 14.240 -1.413 2.356 863 H LYS 106 H LYS 106 11.098 -6.130 5.708 864 HA LYS 106 HA LYS 106 12.781 -8.150 5.184 865 HB2 LYS 106 1HB LYS 106 11.464 -7.070 7.479 866 HB3 LYS 106 2HB LYS 106 11.414 -8.816 7.608 867 HG2 LYS 106 1HG LYS 106 13.493 -8.072 8.613 868 HG3 LYS 106 2HG LYS 106 13.896 -8.882 7.112 869 HD2 LYS 106 1HD LYS 106 15.199 -6.905 7.030 870 HD3 LYS 106 2HD LYS 106 13.824 -6.524 6.012 871 HE2 LYS 106 1HE LYS 106 13.358 -4.741 7.333 872 HE3 LYS 106 2HE LYS 106 13.046 -5.827 8.673 873 HZ1 LYS 106 1HZ LYS 106 15.491 -5.822 9.035 874 HZ2 LYS 106 2HZ LYS 106 15.613 -4.612 7.945 875 HZ3 LYS 106 3HZ LYS 106 14.758 -4.390 9.319 876 H PHE 107 H PHE 107 9.296 -8.654 6.102 877 HA PHE 107 HA PHE 107 9.255 -11.364 5.699 878 HB2 PHE 107 1HB PHE 107 7.512 -9.484 6.530 879 HB3 PHE 107 2HB PHE 107 6.985 -9.501 4.859 880 HD1 PHE 107 1HD PHE 107 7.438 -11.675 7.831 881 HD2 PHE 107 2HD PHE 107 5.510 -11.157 4.087 882 HE1 PHE 107 1HE PHE 107 5.966 -13.650 8.316 883 HE2 PHE 107 2HE PHE 107 4.038 -13.132 4.571 884 HZ PHE 107 HZ PHE 107 4.284 -14.354 6.680 885 H PHE 108 H PHE 108 8.625 -8.703 3.324 886 HA PHE 108 HA PHE 108 7.866 -10.319 1.211 887 HB2 PHE 108 1HB PHE 108 8.974 -7.579 1.743 888 HB3 PHE 108 2HB PHE 108 9.260 -8.148 0.111 889 HD1 PHE 108 2HD PHE 108 6.357 -8.412 2.455 890 HD2 PHE 108 1HD PHE 108 7.768 -7.206 -1.361 891 HE1 PHE 108 2HE PHE 108 4.029 -7.730 1.809 892 HE2 PHE 108 1HE PHE 108 5.441 -6.524 -2.006 893 HZ PHE 108 HZ PHE 108 3.599 -6.795 -0.414 894 H ASP 109 H ASP 109 11.084 -9.534 2.530 895 HA ASP 109 HA ASP 109 12.289 -10.854 0.249 896 HB2 ASP 109 1HB ASP 109 13.046 -8.685 1.966 897 HB3 ASP 109 2HB ASP 109 14.187 -9.979 2.273 898 H SER 110 H SER 110 10.692 -12.260 2.382 899 HA SER 110 HA SER 110 12.173 -13.349 4.365 900 HB2 SER 110 1HB SER 110 9.704 -13.984 2.938 901 HB3 SER 110 2HB SER 110 10.532 -15.456 3.405 902 HG SER 110 HG SER 110 10.067 -15.093 5.470 903 H GLY 111 H GLY 111 13.939 -14.701 4.454 904 HA2 GLY 111 1HA GLY 111 15.295 -15.516 2.144 905 HA3 GLY 111 2HA GLY 111 15.594 -16.063 3.782 906 HA PRO 112 HA PRO 112 13.697 -19.862 2.889 907 HB2 PRO 112 1HB PRO 112 12.343 -20.542 5.163 908 HB3 PRO 112 2HB PRO 112 14.079 -20.709 4.996 909 HG2 PRO 112 1HG PRO 112 12.549 -18.676 6.501 910 HG3 PRO 112 2HG PRO 112 14.237 -19.118 6.658 911 HD2 PRO 112 1HD PRO 112 13.187 -16.787 5.357 912 HD3 PRO 112 2HD PRO 112 14.865 -17.289 5.414 913 H SER 113 H SER 113 11.681 -21.253 2.688 914 HA SER 113 HA SER 113 9.786 -21.366 1.599 915 HB2 SER 113 1HB SER 113 9.129 -21.029 4.044 916 HB3 SER 113 2HB SER 113 8.804 -19.350 3.662 917 HG SER 113 HG SER 113 7.042 -21.219 3.498 918 H SER 114 H SER 114 10.443 -20.351 -0.409 919 HA SER 114 HA SER 114 8.949 -17.979 -0.925 920 HB2 SER 114 1HB SER 114 11.525 -17.526 -0.106 921 HB3 SER 114 2HB SER 114 11.782 -17.708 -1.830 922 HG SER 114 HG SER 114 9.613 -16.140 -1.567 923 H GLY 115 H GLY 115 8.835 -17.536 -3.308 924 HA2 GLY 115 1HA GLY 115 10.064 -18.790 -5.347 925 HA3 GLY 115 2HA GLY 115 8.945 -20.019 -4.792 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 7.916 22.687 -5.755 2 HA2 GLY 1 1HA GLY 1 9.072 19.999 -5.313 3 HA3 GLY 1 2HA GLY 1 10.001 21.440 -5.677 4 H SER 2 H SER 2 10.374 19.750 -3.344 5 HA SER 2 HA SER 2 10.371 21.775 -1.405 6 HB2 SER 2 1HB SER 2 8.568 19.404 -0.763 7 HB3 SER 2 2HB SER 2 8.870 20.802 0.250 8 HG SER 2 HG SER 2 7.029 20.486 -1.774 9 H SER 3 H SER 3 12.620 21.223 -1.378 10 HA SER 3 HA SER 3 14.390 20.217 -0.626 11 HB2 SER 3 1HB SER 3 12.532 19.636 1.319 12 HB3 SER 3 2HB SER 3 13.036 18.020 0.865 13 HG SER 3 HG SER 3 15.204 18.537 1.367 14 H GLY 4 H GLY 4 15.799 18.677 -1.523 15 HA2 GLY 4 1HA GLY 4 14.612 16.848 -3.442 16 HA3 GLY 4 2HA GLY 4 16.306 17.258 -3.253 17 H SER 5 H SER 5 16.443 14.787 -3.532 18 HA SER 5 HA SER 5 15.817 13.442 -1.039 19 HB2 SER 5 1HB SER 5 16.064 11.362 -2.270 20 HB3 SER 5 2HB SER 5 15.035 12.434 -3.200 21 HG SER 5 HG SER 5 16.577 12.689 -4.733 22 H SER 6 H SER 6 17.439 12.906 0.398 23 HA SER 6 HA SER 6 20.035 12.317 -0.505 24 HB2 SER 6 1HB SER 6 19.496 15.038 0.705 25 HB3 SER 6 2HB SER 6 21.034 14.252 0.999 26 HG SER 6 HG SER 6 20.204 14.239 -1.697 27 H GLY 7 H GLY 7 21.331 11.391 1.230 28 HA2 GLY 7 1HA GLY 7 21.494 11.272 3.718 29 HA3 GLY 7 2HA GLY 7 19.774 10.938 3.705 30 H GLN 8 H GLN 8 19.946 8.838 4.618 31 HA GLN 8 HA GLN 8 20.864 6.882 2.699 32 HB2 GLN 8 1HB GLN 8 22.174 7.455 5.261 33 HB3 GLN 8 2HB GLN 8 21.634 5.789 5.181 34 HG2 GLN 8 1HG GLN 8 22.712 5.855 2.747 35 HG3 GLN 8 2HG GLN 8 23.592 7.233 3.378 36 HE21 GLN 8 1HE2 GLN 8 24.769 4.839 2.551 37 HE22 GLN 8 2HE2 GLN 8 25.519 4.057 3.902 38 H ARG 9 H ARG 9 19.446 7.335 6.020 39 HA ARG 9 HA ARG 9 17.893 4.996 5.731 40 HB2 ARG 9 1HB ARG 9 18.406 7.054 7.803 41 HB3 ARG 9 2HB ARG 9 16.753 6.472 7.825 42 HG2 ARG 9 1HG ARG 9 18.219 4.113 7.515 43 HG3 ARG 9 2HG ARG 9 19.253 5.065 8.561 44 HD2 ARG 9 1HD ARG 9 17.000 5.544 9.894 45 HD3 ARG 9 2HD ARG 9 16.418 4.115 9.062 46 HE ARG 9 HE ARG 9 18.498 4.210 11.146 47 HH11 ARG 9 2HH2 ARG 9 17.018 2.312 8.579 48 HH12 ARG 9 1HH2 ARG 9 17.581 0.796 9.200 49 HH21 ARG 9 2HH1 ARG 9 19.242 2.211 11.965 50 HH22 ARG 9 1HH1 ARG 9 18.855 0.738 11.139 51 H ARG 10 H ARG 10 15.347 5.369 6.440 52 HA ARG 10 HA ARG 10 13.382 6.097 5.900 53 HB2 ARG 10 1HB ARG 10 14.983 8.542 5.719 54 HB3 ARG 10 2HB ARG 10 13.703 8.577 4.522 55 HG2 ARG 10 1HG ARG 10 12.777 7.584 7.151 56 HG3 ARG 10 2HG ARG 10 13.427 9.209 7.235 57 HD2 ARG 10 1HD ARG 10 11.318 8.325 5.206 58 HD3 ARG 10 2HD ARG 10 10.940 9.111 6.726 59 HE ARG 10 HE ARG 10 11.973 11.142 5.930 60 HH11 ARG 10 2HH2 ARG 10 11.975 8.561 3.538 61 HH12 ARG 10 1HH2 ARG 10 12.290 9.623 2.206 62 HH21 ARG 10 2HH1 ARG 10 12.390 12.543 4.173 63 HH22 ARG 10 1HH1 ARG 10 12.528 11.903 2.570 64 H HIS 11 H HIS 11 15.464 7.568 3.289 65 HA HIS 11 HA HIS 11 13.719 6.869 1.236 66 HB2 HIS 11 1HB HIS 11 15.054 8.348 0.261 67 HB3 HIS 11 2HB HIS 11 16.230 8.212 1.553 68 HD1 HIS 11 1HD HIS 11 18.464 7.278 0.905 69 HD2 HIS 11 2HD HIS 11 15.449 6.206 -1.807 70 HE1 HIS 11 1HE HIS 11 19.625 6.047 -1.004 71 H ASP 12 H ASP 12 15.789 4.936 3.177 72 HA ASP 12 HA ASP 12 16.801 3.120 1.442 73 HB2 ASP 12 1HB ASP 12 17.067 3.246 3.985 74 HB3 ASP 12 2HB ASP 12 15.509 2.456 4.128 75 H MET 13 H MET 13 13.661 2.883 3.296 76 HA MET 13 HA MET 13 12.772 0.637 1.932 77 HB2 MET 13 1HB MET 13 11.132 2.849 3.290 78 HB3 MET 13 2HB MET 13 10.579 1.213 2.992 79 HG2 MET 13 1HG MET 13 12.828 2.077 4.867 80 HG3 MET 13 2HG MET 13 11.296 1.355 5.319 81 HE1 MET 13 1HE MET 13 11.443 -1.585 2.921 82 HE2 MET 13 2HE MET 13 11.200 -2.022 4.629 83 HE3 MET 13 3HE MET 13 10.453 -0.546 3.973 84 H LEU 14 H LEU 14 11.868 4.141 1.559 85 HA LEU 14 HA LEU 14 10.026 3.994 -0.383 86 HB2 LEU 14 1HB LEU 14 12.269 5.987 -0.551 87 HB3 LEU 14 2HB LEU 14 10.579 6.197 -0.966 88 HG LEU 14 HG LEU 14 11.874 6.161 1.746 89 HD11 LEU 14 1HD1 LEU 14 11.708 8.330 0.873 90 HD12 LEU 14 2HD1 LEU 14 10.076 8.043 0.222 91 HD13 LEU 14 3HD1 LEU 14 10.321 8.181 1.979 92 HD21 LEU 14 1HD2 LEU 14 9.337 6.282 2.515 93 HD22 LEU 14 2HD2 LEU 14 9.110 5.262 1.074 94 HD23 LEU 14 3HD2 LEU 14 10.209 4.737 2.371 95 H ALA 15 H ALA 15 13.597 3.695 -0.814 96 HA ALA 15 HA ALA 15 13.578 3.574 -3.591 97 HB1 ALA 15 1HB ALA 15 15.642 3.916 -2.466 98 HB2 ALA 15 2HB ALA 15 15.413 2.483 -1.436 99 HB3 ALA 15 3HB ALA 15 15.768 2.286 -3.169 100 H TRP 16 H TRP 16 13.374 0.950 -1.095 101 HA TRP 16 HA TRP 16 13.382 -1.231 -2.703 102 HB2 TRP 16 1HB TRP 16 13.331 -1.344 -0.289 103 HB3 TRP 16 2HB TRP 16 11.700 -0.703 -0.249 104 HD1 TRP 16 HD TRP 16 13.398 -3.826 -1.908 105 HE1 TRP 16 1HE TRP 16 11.829 -5.938 -1.703 106 HE3 TRP 16 3HE TRP 16 9.581 -1.415 0.431 107 HZ2 TRP 16 2HZ TRP 16 9.226 -6.353 -0.610 108 HZ3 TRP 16 3HZ TRP 16 7.561 -2.747 1.033 109 HH2 TRP 16 HH TRP 16 7.347 -5.134 0.549 110 H ILE 17 H ILE 17 10.423 0.628 -1.667 111 HA ILE 17 HA ILE 17 8.708 -0.708 -3.420 112 HB ILE 17 HB ILE 17 8.520 1.995 -2.089 113 HG12 ILE 17 1HG1 ILE 17 6.734 0.232 -0.899 114 HG13 ILE 17 2HG1 ILE 17 8.146 -0.766 -1.187 115 HG21 ILE 17 1HG2 ILE 17 6.017 1.619 -2.462 116 HG22 ILE 17 2HG2 ILE 17 6.989 2.141 -3.859 117 HG23 ILE 17 3HG2 ILE 17 6.501 0.436 -3.701 118 HD11 ILE 17 1HD1 ILE 17 9.574 0.669 0.086 119 HD12 ILE 17 2HD1 ILE 17 8.393 2.000 0.055 120 HD13 ILE 17 3HD1 ILE 17 8.075 0.550 1.038 121 H ASN 18 H ASN 18 10.146 2.624 -3.682 122 HA ASN 18 HA ASN 18 9.253 3.363 -6.042 123 HB2 ASN 18 1HB ASN 18 11.906 3.676 -4.666 124 HB3 ASN 18 2HB ASN 18 11.880 4.118 -6.361 125 HD21 ASN 18 1HD2 ASN 18 11.651 5.334 -3.396 126 HD22 ASN 18 2HD2 ASN 18 10.607 6.695 -3.631 127 H GLU 19 H GLU 19 11.999 1.074 -5.428 128 HA GLU 19 HA GLU 19 12.254 0.614 -8.259 129 HB2 GLU 19 1HB GLU 19 13.916 0.199 -5.855 130 HB3 GLU 19 2HB GLU 19 13.968 -1.166 -6.953 131 HG2 GLU 19 1HG GLU 19 14.128 1.157 -8.602 132 HG3 GLU 19 2HG GLU 19 15.192 1.465 -7.243 133 H SER 20 H SER 20 9.766 -0.149 -7.778 134 HA SER 20 HA SER 20 9.931 -2.985 -8.036 135 HB2 SER 20 1HB SER 20 8.280 -1.752 -5.785 136 HB3 SER 20 2HB SER 20 8.197 -3.431 -6.279 137 HG SER 20 HG SER 20 10.105 -3.866 -5.332 138 H LEU 21 H LEU 21 7.884 -0.028 -7.666 139 HA LEU 21 HA LEU 21 6.322 -0.981 -9.954 140 HB2 LEU 21 1HB LEU 21 4.940 0.552 -7.811 141 HB3 LEU 21 2HB LEU 21 4.300 -0.596 -8.970 142 HG LEU 21 HG LEU 21 6.154 -1.649 -6.880 143 HD11 LEU 21 1HD1 LEU 21 4.980 -0.560 -5.277 144 HD12 LEU 21 2HD1 LEU 21 3.540 -0.356 -6.303 145 HD13 LEU 21 3HD1 LEU 21 3.862 -1.923 -5.522 146 HD21 LEU 21 1HD2 LEU 21 5.078 -2.996 -8.756 147 HD22 LEU 21 2HD2 LEU 21 4.910 -3.635 -7.103 148 HD23 LEU 21 3HD2 LEU 21 3.544 -2.796 -7.875 149 H GLN 22 H GLN 22 8.606 1.088 -9.016 150 HA GLN 22 HA GLN 22 9.312 3.013 -9.728 151 HB2 GLN 22 1HB GLN 22 7.064 2.665 -11.745 152 HB3 GLN 22 2HB GLN 22 8.114 4.069 -11.775 153 HG2 GLN 22 1HG GLN 22 9.900 2.881 -12.588 154 HG3 GLN 22 2HG GLN 22 9.593 1.509 -11.541 155 HE21 GLN 22 1HE2 GLN 22 9.555 2.638 -14.658 156 HE22 GLN 22 2HE2 GLN 22 8.554 1.450 -15.423 157 H LEU 23 H LEU 23 7.835 3.093 -7.409 158 HA LEU 23 HA LEU 23 5.676 4.905 -7.513 159 HB2 LEU 23 1HB LEU 23 7.327 3.579 -5.442 160 HB3 LEU 23 2HB LEU 23 6.530 5.064 -4.963 161 HG LEU 23 HG LEU 23 5.062 3.348 -4.337 162 HD11 LEU 23 1HD1 LEU 23 3.071 3.838 -5.476 163 HD12 LEU 23 2HD1 LEU 23 4.085 5.285 -5.692 164 HD13 LEU 23 3HD1 LEU 23 3.913 4.112 -7.020 165 HD21 LEU 23 1HD2 LEU 23 5.863 2.071 -6.920 166 HD22 LEU 23 2HD2 LEU 23 5.745 1.379 -5.285 167 HD23 LEU 23 3HD2 LEU 23 4.268 1.689 -6.229 168 H ASN 24 H ASN 24 6.018 6.946 -5.802 169 HA ASN 24 HA ASN 24 8.458 8.292 -6.539 170 HB2 ASN 24 1HB ASN 24 6.745 10.372 -6.950 171 HB3 ASN 24 2HB ASN 24 7.298 9.342 -8.255 172 HD21 ASN 24 1HD2 ASN 24 4.686 10.180 -6.131 173 HD22 ASN 24 2HD2 ASN 24 3.420 9.298 -6.918 174 H LEU 25 H LEU 25 8.062 7.370 -4.032 175 HA LEU 25 HA LEU 25 6.698 9.461 -2.512 176 HB2 LEU 25 1HB LEU 25 7.792 6.845 -1.491 177 HB3 LEU 25 2HB LEU 25 6.677 7.934 -0.690 178 HG LEU 25 HG LEU 25 6.105 6.243 -3.137 179 HD11 LEU 25 1HD1 LEU 25 5.316 6.042 -0.234 180 HD12 LEU 25 2HD1 LEU 25 4.366 5.267 -1.525 181 HD13 LEU 25 3HD1 LEU 25 6.071 4.817 -1.282 182 HD21 LEU 25 1HD2 LEU 25 4.469 7.640 -3.667 183 HD22 LEU 25 2HD2 LEU 25 3.714 7.322 -2.086 184 HD23 LEU 25 3HD2 LEU 25 4.853 8.677 -2.272 185 H THR 26 H THR 26 7.776 10.660 -0.882 186 HA THR 26 HA THR 26 10.712 10.541 -1.111 187 HB THR 26 HB THR 26 10.586 13.010 -0.644 188 HG1 THR 26 1HG THR 26 8.595 13.725 0.023 189 HG21 THR 26 1HG2 THR 26 9.518 13.740 -2.748 190 HG22 THR 26 2HG2 THR 26 10.433 12.245 -3.055 191 HG23 THR 26 3HG2 THR 26 8.662 12.185 -2.881 192 H LYS 27 H LYS 27 7.911 10.323 0.968 193 HA LYS 27 HA LYS 27 9.761 10.104 3.235 194 HB2 LYS 27 1HB LYS 27 7.068 11.491 3.175 195 HB3 LYS 27 2HB LYS 27 7.904 11.053 4.650 196 HG2 LYS 27 1HG LYS 27 9.945 12.329 3.377 197 HG3 LYS 27 2HG LYS 27 8.597 13.159 2.625 198 HD2 LYS 27 1HD LYS 27 8.477 12.820 5.610 199 HD3 LYS 27 2HD LYS 27 9.672 13.945 4.993 200 HE2 LYS 27 1HE LYS 27 8.081 15.445 4.234 201 HE3 LYS 27 2HE LYS 27 6.955 14.185 3.768 202 HZ1 LYS 27 1HZ LYS 27 7.230 14.097 6.519 203 HZ2 LYS 27 2HZ LYS 27 6.991 15.661 6.115 204 HZ3 LYS 27 3HZ LYS 27 5.911 14.525 5.656 205 H ILE 28 H ILE 28 8.725 8.778 5.070 206 HA ILE 28 HA ILE 28 7.811 6.344 3.895 207 HB ILE 28 HB ILE 28 8.453 7.261 6.683 208 HG12 ILE 28 1HG1 ILE 28 10.217 6.691 4.889 209 HG13 ILE 28 2HG1 ILE 28 10.384 5.989 6.486 210 HG21 ILE 28 1HG2 ILE 28 6.701 5.079 5.931 211 HG22 ILE 28 2HG2 ILE 28 8.153 4.484 6.772 212 HG23 ILE 28 3HG2 ILE 28 7.116 5.709 7.543 213 HD11 ILE 28 1HD1 ILE 28 8.816 4.464 4.404 214 HD12 ILE 28 2HD1 ILE 28 10.594 4.463 4.322 215 HD13 ILE 28 3HD1 ILE 28 9.769 3.846 5.774 216 H GLU 29 H GLU 29 6.374 9.139 5.550 217 HA GLU 29 HA GLU 29 3.993 7.933 6.276 218 HB2 GLU 29 1HB GLU 29 5.144 10.526 6.362 219 HB3 GLU 29 2HB GLU 29 3.633 10.724 5.497 220 HG2 GLU 29 1HG GLU 29 2.771 9.100 7.516 221 HG3 GLU 29 2HG GLU 29 4.102 9.890 8.339 222 H GLN 30 H GLN 30 5.294 8.707 3.160 223 HA GLN 30 HA GLN 30 2.982 9.338 1.790 224 HB2 GLN 30 1HB GLN 30 5.629 8.100 0.994 225 HB3 GLN 30 2HB GLN 30 4.352 8.273 -0.194 226 HG2 GLN 30 1HG GLN 30 5.121 10.650 1.523 227 HG3 GLN 30 2HG GLN 30 6.119 10.222 0.147 228 HE21 GLN 30 1HE2 GLN 30 5.663 11.945 -1.107 229 HE22 GLN 30 2HE2 GLN 30 4.116 12.281 -1.810 230 H LEU 31 H LEU 31 3.906 6.417 3.356 231 HA LEU 31 HA LEU 31 2.297 4.764 1.582 232 HB2 LEU 31 1HB LEU 31 3.617 3.750 4.060 233 HB3 LEU 31 2HB LEU 31 3.303 2.934 2.541 234 HG LEU 31 HG LEU 31 5.174 5.184 2.277 235 HD11 LEU 31 1HD1 LEU 31 5.520 3.933 4.642 236 HD12 LEU 31 2HD1 LEU 31 6.475 2.866 3.585 237 HD13 LEU 31 3HD1 LEU 31 6.852 4.603 3.670 238 HD21 LEU 31 1HD2 LEU 31 6.023 2.451 1.582 239 HD22 LEU 31 2HD2 LEU 31 4.509 2.981 0.812 240 HD23 LEU 31 3HD2 LEU 31 5.995 3.938 0.604 241 H CYS 32 H CYS 32 1.107 6.993 3.152 242 HA CYS 32 HA CYS 32 -0.310 5.622 5.258 243 HB2 CYS 32 1HB CYS 32 -1.361 7.835 5.655 244 HB3 CYS 32 2HB CYS 32 0.389 7.883 5.726 245 HG CYS 32 HG CYS 32 0.367 9.850 4.369 246 H SER 33 H SER 33 -0.444 5.717 1.922 247 HA SER 33 HA SER 33 -3.278 6.052 1.697 248 HB2 SER 33 1HB SER 33 -2.714 5.307 -0.751 249 HB3 SER 33 2HB SER 33 -2.172 6.878 -0.197 250 HG SER 33 HG SER 33 -0.679 4.742 -1.057 251 H GLY 34 H GLY 34 -0.916 3.414 0.816 252 HA2 GLY 34 1HA GLY 34 -1.152 1.200 1.597 253 HA3 GLY 34 2HA GLY 34 -2.878 1.443 1.782 254 H ALA 35 H ALA 35 -0.682 2.235 -0.998 255 HA ALA 35 HA ALA 35 -2.374 0.472 -2.636 256 HB1 ALA 35 1HB ALA 35 -2.573 2.946 -3.069 257 HB2 ALA 35 2HB ALA 35 -0.848 2.957 -3.507 258 HB3 ALA 35 3HB ALA 35 -2.005 2.008 -4.471 259 H ALA 36 H ALA 36 0.941 1.930 -2.320 260 HA ALA 36 HA ALA 36 2.325 0.483 -4.095 261 HB1 ALA 36 1HB ALA 36 3.600 2.004 -2.906 262 HB2 ALA 36 2HB ALA 36 2.916 1.515 -1.336 263 HB3 ALA 36 3HB ALA 36 4.131 0.489 -2.136 264 H TYR 37 H TYR 37 1.699 -0.611 -0.679 265 HA TYR 37 HA TYR 37 2.808 -3.076 -0.800 266 HB2 TYR 37 1HB TYR 37 0.040 -2.352 0.339 267 HB3 TYR 37 2HB TYR 37 1.120 -3.574 0.979 268 HD1 TYR 37 1HD TYR 37 3.670 -2.397 1.331 269 HD2 TYR 37 2HD TYR 37 -0.156 -0.528 1.748 270 HE1 TYR 37 1HE TYR 37 4.675 -0.675 2.908 271 HE2 TYR 37 2HE TYR 37 0.862 1.188 3.323 272 HH TYR 37 HH TYR 37 4.249 0.934 4.320 273 H CYS 38 H CYS 38 -0.626 -2.271 -1.690 274 HA CYS 38 HA CYS 38 -1.425 -4.773 -2.390 275 HB2 CYS 38 1HB CYS 38 -2.266 -2.021 -3.064 276 HB3 CYS 38 2HB CYS 38 -2.742 -3.231 -4.239 277 HG CYS 38 HG CYS 38 -3.790 -2.562 -1.326 278 H GLN 39 H GLN 39 -0.359 -2.218 -4.764 279 HA GLN 39 HA GLN 39 -0.142 -3.717 -6.943 280 HB2 GLN 39 1HB GLN 39 0.726 -1.181 -6.153 281 HB3 GLN 39 2HB GLN 39 2.213 -1.962 -6.650 282 HG2 GLN 39 1HG GLN 39 0.609 -2.747 -8.710 283 HG3 GLN 39 2HG GLN 39 -0.201 -1.252 -8.285 284 HE21 GLN 39 1HE2 GLN 39 2.058 -2.556 -10.221 285 HE22 GLN 39 2HE2 GLN 39 3.085 -1.197 -10.536 286 H PHE 40 H PHE 40 2.352 -3.433 -4.337 287 HA PHE 40 HA PHE 40 4.319 -4.948 -5.535 288 HB2 PHE 40 1HB PHE 40 3.697 -3.706 -3.049 289 HB3 PHE 40 2HB PHE 40 3.915 -5.391 -2.620 290 HD1 PHE 40 2HD PHE 40 6.014 -5.841 -4.921 291 HD2 PHE 40 1HD PHE 40 5.637 -2.999 -1.792 292 HE1 PHE 40 2HE PHE 40 8.504 -5.518 -4.914 293 HE2 PHE 40 1HE PHE 40 8.126 -2.676 -1.786 294 HZ PHE 40 HZ PHE 40 9.530 -3.940 -3.347 295 H MET 41 H MET 41 1.571 -5.986 -3.411 296 HA MET 41 HA MET 41 2.297 -8.631 -3.251 297 HB2 MET 41 1HB MET 41 -0.201 -6.989 -2.939 298 HB3 MET 41 2HB MET 41 -0.472 -8.704 -3.181 299 HG2 MET 41 1HG MET 41 1.353 -7.511 -1.035 300 HG3 MET 41 2HG MET 41 -0.273 -8.100 -0.752 301 HE1 MET 41 1HE MET 41 -0.001 -11.464 0.098 302 HE2 MET 41 2HE MET 41 -0.956 -10.010 -0.282 303 HE3 MET 41 3HE MET 41 -0.682 -11.247 -1.532 304 H ASP 42 H ASP 42 -0.237 -7.175 -5.430 305 HA ASP 42 HA ASP 42 -0.943 -9.282 -6.841 306 HB2 ASP 42 1HB ASP 42 -1.765 -6.991 -7.267 307 HB3 ASP 42 2HB ASP 42 -0.215 -6.528 -7.941 308 H MET 43 H MET 43 2.170 -7.521 -7.009 309 HA MET 43 HA MET 43 3.032 -8.786 -9.382 310 HB2 MET 43 1HB MET 43 3.942 -6.748 -7.505 311 HB3 MET 43 2HB MET 43 5.257 -7.874 -7.777 312 HG2 MET 43 1HG MET 43 3.742 -6.949 -10.208 313 HG3 MET 43 2HG MET 43 4.775 -5.771 -9.424 314 HE1 MET 43 1HE MET 43 7.143 -7.448 -8.206 315 HE2 MET 43 2HE MET 43 8.287 -7.345 -9.565 316 HE3 MET 43 3HE MET 43 7.285 -5.937 -9.136 317 H LEU 44 H LEU 44 3.605 -9.282 -5.848 318 HA LEU 44 HA LEU 44 5.349 -11.508 -6.365 319 HB2 LEU 44 1HB LEU 44 4.180 -10.418 -3.801 320 HB3 LEU 44 2HB LEU 44 5.380 -11.690 -3.906 321 HG LEU 44 HG LEU 44 5.764 -8.834 -4.845 322 HD11 LEU 44 1HD1 LEU 44 7.325 -9.977 -2.583 323 HD12 LEU 44 2HD1 LEU 44 6.766 -8.312 -2.875 324 HD13 LEU 44 3HD1 LEU 44 5.627 -9.541 -2.275 325 HD21 LEU 44 1HD2 LEU 44 7.256 -9.901 -6.190 326 HD22 LEU 44 2HD2 LEU 44 8.254 -9.770 -4.722 327 HD23 LEU 44 3HD2 LEU 44 7.421 -11.297 -5.098 328 H PHE 45 H PHE 45 2.224 -11.161 -4.534 329 HA PHE 45 HA PHE 45 1.695 -13.954 -5.184 330 HB2 PHE 45 1HB PHE 45 0.404 -11.889 -3.301 331 HB3 PHE 45 2HB PHE 45 -0.099 -13.565 -3.395 332 HD1 PHE 45 2HD PHE 45 2.878 -11.455 -2.659 333 HD2 PHE 45 1HD PHE 45 0.899 -15.154 -2.017 334 HE1 PHE 45 2HE PHE 45 4.580 -12.063 -0.918 335 HE2 PHE 45 1HE PHE 45 2.601 -15.762 -0.275 336 HZ PHE 45 HZ PHE 45 4.421 -14.209 0.254 337 HA PRO 46 HA PRO 46 -1.103 -12.321 -8.175 338 HB2 PRO 46 1HB PRO 46 -1.449 -14.638 -9.581 339 HB3 PRO 46 2HB PRO 46 -0.157 -13.502 -9.911 340 HG2 PRO 46 1HG PRO 46 -0.018 -16.123 -8.551 341 HG3 PRO 46 2HG PRO 46 1.281 -15.184 -9.260 342 HD2 PRO 46 1HD PRO 46 0.675 -15.441 -6.468 343 HD3 PRO 46 2HD PRO 46 1.899 -14.411 -7.184 344 H GLY 47 H GLY 47 -3.276 -12.032 -8.235 345 HA2 GLY 47 1HA GLY 47 -5.408 -12.337 -7.600 346 HA3 GLY 47 2HA GLY 47 -5.101 -14.061 -7.661 347 H SER 48 H SER 48 -3.545 -11.571 -5.544 348 HA SER 48 HA SER 48 -4.611 -13.087 -3.293 349 HB2 SER 48 1HB SER 48 -2.633 -12.316 -2.019 350 HB3 SER 48 2HB SER 48 -2.158 -13.205 -3.452 351 HG SER 48 HG SER 48 -1.883 -11.088 -4.535 352 H ILE 49 H ILE 49 -4.187 -9.929 -4.854 353 HA ILE 49 HA ILE 49 -5.731 -8.725 -2.662 354 HB ILE 49 HB ILE 49 -4.172 -6.936 -4.396 355 HG12 ILE 49 1HG1 ILE 49 -2.682 -8.980 -4.095 356 HG13 ILE 49 2HG1 ILE 49 -2.021 -7.432 -3.609 357 HG21 ILE 49 1HG2 ILE 49 -5.097 -5.779 -2.670 358 HG22 ILE 49 2HG2 ILE 49 -5.020 -7.159 -1.548 359 HG23 ILE 49 3HG2 ILE 49 -3.550 -6.221 -1.908 360 HD11 ILE 49 1HD1 ILE 49 -3.491 -9.081 -1.548 361 HD12 ILE 49 2HD1 ILE 49 -1.830 -9.534 -1.998 362 HD13 ILE 49 3HD1 ILE 49 -2.161 -7.921 -1.323 363 H ALA 50 H ALA 50 -6.504 -6.367 -3.921 364 HA ALA 50 HA ALA 50 -7.948 -7.338 -6.287 365 HB1 ALA 50 1HB ALA 50 -9.907 -7.069 -5.223 366 HB2 ALA 50 2HB ALA 50 -9.019 -6.711 -3.723 367 HB3 ALA 50 3HB ALA 50 -9.484 -5.388 -4.819 368 H LEU 51 H LEU 51 -5.667 -6.174 -6.884 369 HA LEU 51 HA LEU 51 -5.297 -3.502 -6.703 370 HB2 LEU 51 1HB LEU 51 -4.258 -5.635 -8.177 371 HB3 LEU 51 2HB LEU 51 -4.727 -4.453 -9.383 372 HG LEU 51 HG LEU 51 -2.811 -4.046 -7.074 373 HD11 LEU 51 1HD1 LEU 51 -2.408 -4.038 -10.078 374 HD12 LEU 51 2HD1 LEU 51 -1.168 -3.629 -8.868 375 HD13 LEU 51 3HD1 LEU 51 -1.846 -5.274 -8.926 376 HD21 LEU 51 1HD2 LEU 51 -2.804 -1.804 -7.343 377 HD22 LEU 51 2HD2 LEU 51 -3.154 -1.896 -9.086 378 HD23 LEU 51 3HD2 LEU 51 -4.469 -2.092 -7.903 379 H LYS 52 H LYS 52 -7.831 -5.220 -8.437 380 HA LYS 52 HA LYS 52 -8.518 -2.863 -9.976 381 HB2 LYS 52 1HB LYS 52 -9.898 -4.240 -11.220 382 HB3 LYS 52 2HB LYS 52 -8.600 -5.329 -10.775 383 HG2 LYS 52 1HG LYS 52 -10.157 -6.709 -9.873 384 HG3 LYS 52 2HG LYS 52 -10.420 -5.510 -8.621 385 HD2 LYS 52 1HD LYS 52 -11.945 -4.387 -10.557 386 HD3 LYS 52 2HD LYS 52 -12.028 -6.049 -11.107 387 HE2 LYS 52 1HE LYS 52 -12.453 -5.648 -8.172 388 HE3 LYS 52 2HE LYS 52 -13.700 -4.984 -9.208 389 HZ1 LYS 52 1HZ LYS 52 -13.960 -7.356 -8.531 390 HZ2 LYS 52 2HZ LYS 52 -14.090 -7.074 -10.134 391 HZ3 LYS 52 3HZ LYS 52 -12.721 -7.727 -9.529 392 H LYS 53 H LYS 53 -8.494 -2.421 -7.171 393 HA LYS 53 HA LYS 53 -11.203 -1.552 -6.859 394 HB2 LYS 53 1HB LYS 53 -10.870 -4.069 -5.985 395 HB3 LYS 53 2HB LYS 53 -10.298 -3.223 -4.561 396 HG2 LYS 53 1HG LYS 53 -12.377 -2.058 -4.273 397 HG3 LYS 53 2HG LYS 53 -12.909 -2.426 -5.901 398 HD2 LYS 53 1HD LYS 53 -14.134 -3.934 -4.517 399 HD3 LYS 53 2HD LYS 53 -12.863 -4.916 -5.218 400 HE2 LYS 53 1HE LYS 53 -11.935 -5.343 -3.181 401 HE3 LYS 53 2HE LYS 53 -11.946 -3.648 -2.736 402 HZ1 LYS 53 1HZ LYS 53 -14.455 -4.073 -2.459 403 HZ2 LYS 53 2HZ LYS 53 -14.022 -5.643 -2.335 404 HZ3 LYS 53 3HZ LYS 53 -13.426 -4.546 -1.282 405 H VAL 54 H VAL 54 -7.946 -2.089 -5.396 406 HA VAL 54 HA VAL 54 -7.972 -0.221 -3.436 407 HB VAL 54 HB VAL 54 -6.133 -1.705 -3.802 408 HG11 VAL 54 1HG1 VAL 54 -5.266 -0.141 -6.237 409 HG12 VAL 54 2HG1 VAL 54 -4.719 -1.740 -5.677 410 HG13 VAL 54 3HG1 VAL 54 -6.349 -1.548 -6.367 411 HG21 VAL 54 1HG2 VAL 54 -5.170 1.147 -4.206 412 HG22 VAL 54 2HG2 VAL 54 -5.678 0.445 -2.651 413 HG23 VAL 54 3HG2 VAL 54 -4.249 -0.199 -3.495 414 H LYS 55 H LYS 55 -6.986 2.016 -3.382 415 HA LYS 55 HA LYS 55 -7.782 3.469 -5.809 416 HB2 LYS 55 1HB LYS 55 -8.316 3.964 -2.914 417 HB3 LYS 55 2HB LYS 55 -8.015 5.361 -3.928 418 HG2 LYS 55 1HG LYS 55 -9.966 3.219 -4.833 419 HG3 LYS 55 2HG LYS 55 -10.477 4.442 -3.687 420 HD2 LYS 55 1HD LYS 55 -9.743 6.231 -5.298 421 HD3 LYS 55 2HD LYS 55 -9.293 4.989 -6.450 422 HE2 LYS 55 1HE LYS 55 -11.671 4.152 -6.443 423 HE3 LYS 55 2HE LYS 55 -12.105 5.445 -5.342 424 HZ1 LYS 55 1HZ LYS 55 -12.066 5.608 -8.033 425 HZ2 LYS 55 2HZ LYS 55 -12.144 6.876 -7.007 426 HZ3 LYS 55 3HZ LYS 55 -10.703 6.401 -7.609 427 H PHE 56 H PHE 56 -5.883 3.788 -6.895 428 HA PHE 56 HA PHE 56 -3.512 4.427 -5.364 429 HB2 PHE 56 1HB PHE 56 -4.310 3.771 -8.230 430 HB3 PHE 56 2HB PHE 56 -2.770 4.566 -7.974 431 HD1 PHE 56 1HD PHE 56 -4.419 1.964 -5.883 432 HD2 PHE 56 2HD PHE 56 -1.193 2.927 -8.466 433 HE1 PHE 56 1HE PHE 56 -3.357 -0.255 -5.385 434 HE2 PHE 56 2HE PHE 56 -0.132 0.708 -7.968 435 HZ PHE 56 HZ PHE 56 -1.226 -0.857 -6.434 436 H GLN 57 H GLN 57 -5.741 6.359 -5.298 437 HA GLN 57 HA GLN 57 -4.213 8.633 -5.984 438 HB2 GLN 57 1HB GLN 57 -6.144 7.664 -7.926 439 HB3 GLN 57 2HB GLN 57 -6.671 9.219 -7.312 440 HG2 GLN 57 1HG GLN 57 -4.147 9.933 -7.692 441 HG3 GLN 57 2HG GLN 57 -4.087 8.531 -8.742 442 HE21 GLN 57 1HE2 GLN 57 -5.095 11.759 -8.342 443 HE22 GLN 57 2HE2 GLN 57 -5.897 11.998 -9.859 444 H ALA 58 H ALA 58 -5.484 7.308 -3.650 445 HA ALA 58 HA ALA 58 -7.854 8.670 -2.967 446 HB1 ALA 58 1HB ALA 58 -6.850 7.931 -0.580 447 HB2 ALA 58 2HB ALA 58 -7.588 6.767 -1.707 448 HB3 ALA 58 3HB ALA 58 -5.817 6.933 -1.632 449 H LYS 59 H LYS 59 -8.169 10.733 -2.288 450 HA LYS 59 HA LYS 59 -5.758 12.235 -1.552 451 HB2 LYS 59 1HB LYS 59 -7.914 12.772 -3.379 452 HB3 LYS 59 2HB LYS 59 -7.934 13.978 -2.109 453 HG2 LYS 59 1HG LYS 59 -5.323 14.089 -2.508 454 HG3 LYS 59 2HG LYS 59 -5.686 13.304 -4.033 455 HD2 LYS 59 1HD LYS 59 -6.985 15.902 -3.084 456 HD3 LYS 59 2HD LYS 59 -5.624 15.824 -4.185 457 HE2 LYS 59 1HE LYS 59 -7.607 14.036 -5.226 458 HE3 LYS 59 2HE LYS 59 -8.454 15.501 -4.768 459 HZ1 LYS 59 1HZ LYS 59 -7.720 16.049 -6.818 460 HZ2 LYS 59 2HZ LYS 59 -6.437 16.590 -5.964 461 HZ3 LYS 59 3HZ LYS 59 -6.357 15.153 -6.736 462 H LEU 60 H LEU 60 -8.429 10.622 -0.271 463 HA LEU 60 HA LEU 60 -8.424 12.420 2.053 464 HB2 LEU 60 1HB LEU 60 -10.737 10.647 1.342 465 HB3 LEU 60 2HB LEU 60 -10.692 12.032 2.416 466 HG LEU 60 HG LEU 60 -10.497 12.116 -0.608 467 HD11 LEU 60 1HD1 LEU 60 -12.744 12.555 1.333 468 HD12 LEU 60 2HD1 LEU 60 -12.706 13.446 -0.208 469 HD13 LEU 60 3HD1 LEU 60 -12.724 11.666 -0.209 470 HD21 LEU 60 1HD2 LEU 60 -9.515 14.094 -0.352 471 HD22 LEU 60 2HD2 LEU 60 -11.046 14.680 0.342 472 HD23 LEU 60 3HD2 LEU 60 -9.761 14.068 1.411 473 H GLU 61 H GLU 61 -8.764 11.299 4.159 474 HA GLU 61 HA GLU 61 -7.033 9.104 4.301 475 HB2 GLU 61 1HB GLU 61 -8.149 10.992 6.086 476 HB3 GLU 61 2HB GLU 61 -8.718 9.442 6.671 477 HG2 GLU 61 1HG GLU 61 -6.516 8.605 7.000 478 HG3 GLU 61 2HG GLU 61 -5.801 9.779 5.913 479 H HIS 62 H HIS 62 -10.603 9.444 4.919 480 HA HIS 62 HA HIS 62 -11.273 6.965 5.594 481 HB2 HIS 62 1HB HIS 62 -13.440 7.369 4.690 482 HB3 HIS 62 2HB HIS 62 -12.804 8.899 5.262 483 HD1 HIS 62 1HD HIS 62 -14.065 7.189 2.222 484 HD2 HIS 62 2HD HIS 62 -11.990 10.715 3.145 485 HE1 HIS 62 1HE HIS 62 -14.201 8.662 0.144 486 H GLU 63 H GLU 63 -10.108 8.025 2.402 487 HA GLU 63 HA GLU 63 -10.875 5.681 1.066 488 HB2 GLU 63 1HB GLU 63 -8.583 7.528 0.295 489 HB3 GLU 63 2HB GLU 63 -9.544 6.523 -0.770 490 HG2 GLU 63 1HG GLU 63 -11.242 8.329 0.811 491 HG3 GLU 63 2HG GLU 63 -10.038 9.221 -0.098 492 H TYR 64 H TYR 64 -7.651 6.855 2.284 493 HA TYR 64 HA TYR 64 -6.034 4.838 1.666 494 HB2 TYR 64 1HB TYR 64 -6.458 6.105 4.445 495 HB3 TYR 64 2HB TYR 64 -4.955 5.379 3.911 496 HD1 TYR 64 1HD TYR 64 -5.821 6.768 0.985 497 HD2 TYR 64 2HD TYR 64 -4.840 8.060 4.944 498 HE1 TYR 64 1HE TYR 64 -5.062 9.016 0.072 499 HE2 TYR 64 2HE TYR 64 -4.085 10.304 4.017 500 HH TYR 64 HH TYR 64 -3.764 10.826 0.600 501 H ILE 65 H ILE 65 -8.300 4.803 4.503 502 HA ILE 65 HA ILE 65 -7.634 2.451 5.631 503 HB ILE 65 HB ILE 65 -10.213 3.901 5.257 504 HG12 ILE 65 1HG1 ILE 65 -9.688 3.370 7.955 505 HG13 ILE 65 2HG1 ILE 65 -8.109 3.672 7.256 506 HG21 ILE 65 1HG2 ILE 65 -11.120 2.135 6.969 507 HG22 ILE 65 2HG2 ILE 65 -11.208 1.829 5.218 508 HG23 ILE 65 3HG2 ILE 65 -9.926 1.068 6.191 509 HD11 ILE 65 1HD1 ILE 65 -10.474 5.501 6.689 510 HD12 ILE 65 2HD1 ILE 65 -9.418 5.730 8.103 511 HD13 ILE 65 3HD1 ILE 65 -8.742 5.841 6.461 512 H GLN 66 H GLN 66 -10.224 2.717 3.089 513 HA GLN 66 HA GLN 66 -10.608 0.102 2.683 514 HB2 GLN 66 1HB GLN 66 -10.662 2.460 0.783 515 HB3 GLN 66 2HB GLN 66 -11.031 0.853 0.190 516 HG2 GLN 66 1HG GLN 66 -12.566 0.931 2.490 517 HG3 GLN 66 2HG GLN 66 -12.613 2.613 2.001 518 HE21 GLN 66 1HE2 GLN 66 -14.927 1.430 1.974 519 HE22 GLN 66 2HE2 GLN 66 -15.486 1.021 0.387 520 H ASN 67 H ASN 67 -8.148 2.155 0.965 521 HA ASN 67 HA ASN 67 -7.094 0.400 -0.710 522 HB2 ASN 67 1HB ASN 67 -5.382 2.142 1.137 523 HB3 ASN 67 2HB ASN 67 -4.951 1.605 -0.475 524 HD21 ASN 67 1HD2 ASN 67 -4.666 3.713 -1.171 525 HD22 ASN 67 2HD2 ASN 67 -5.983 4.782 -1.523 526 H PHE 68 H PHE 68 -6.278 0.756 2.818 527 HA PHE 68 HA PHE 68 -4.435 -1.386 2.826 528 HB2 PHE 68 1HB PHE 68 -6.042 0.237 4.865 529 HB3 PHE 68 2HB PHE 68 -5.032 -1.087 5.411 530 HD1 PHE 68 2HD PHE 68 -2.540 -1.004 4.785 531 HD2 PHE 68 1HD PHE 68 -5.118 2.354 4.505 532 HE1 PHE 68 2HE PHE 68 -0.550 0.525 4.815 533 HE2 PHE 68 1HE PHE 68 -3.129 3.884 4.534 534 HZ PHE 68 HZ PHE 68 -0.868 2.951 4.689 535 H LYS 69 H LYS 69 -7.897 -1.032 3.836 536 HA LYS 69 HA LYS 69 -8.312 -3.444 4.991 537 HB2 LYS 69 1HB LYS 69 -10.164 -1.924 3.130 538 HB3 LYS 69 2HB LYS 69 -10.661 -3.221 4.198 539 HG2 LYS 69 1HG LYS 69 -9.361 -1.687 6.019 540 HG3 LYS 69 2HG LYS 69 -9.786 -0.425 4.879 541 HD2 LYS 69 1HD LYS 69 -12.017 -0.532 5.394 542 HD3 LYS 69 2HD LYS 69 -12.026 -2.284 5.432 543 HE2 LYS 69 1HE LYS 69 -10.526 -1.741 7.682 544 HE3 LYS 69 2HE LYS 69 -11.580 -0.341 7.655 545 HZ1 LYS 69 1HZ LYS 69 -12.210 -2.923 8.417 546 HZ2 LYS 69 2HZ LYS 69 -13.189 -1.616 8.401 547 HZ3 LYS 69 3HZ LYS 69 -13.106 -2.589 7.092 548 H ILE 70 H ILE 70 -8.146 -2.696 1.468 549 HA ILE 70 HA ILE 70 -8.813 -5.320 0.669 550 HB ILE 70 HB ILE 70 -7.433 -3.041 -0.749 551 HG12 ILE 70 1HG1 ILE 70 -10.295 -4.029 -0.918 552 HG13 ILE 70 2HG1 ILE 70 -9.772 -2.646 0.023 553 HG21 ILE 70 1HG2 ILE 70 -8.738 -5.237 -2.275 554 HG22 ILE 70 2HG2 ILE 70 -7.344 -4.212 -2.691 555 HG23 ILE 70 3HG2 ILE 70 -7.143 -5.570 -1.558 556 HD11 ILE 70 1HD1 ILE 70 -9.108 -1.419 -1.929 557 HD12 ILE 70 2HD1 ILE 70 -9.174 -2.874 -2.953 558 HD13 ILE 70 3HD1 ILE 70 -10.679 -2.151 -2.336 559 H LEU 71 H LEU 71 -5.640 -3.545 0.761 560 HA LEU 71 HA LEU 71 -3.996 -5.542 0.006 561 HB2 LEU 71 1HB LEU 71 -3.243 -3.307 0.430 562 HB3 LEU 71 2HB LEU 71 -3.607 -3.444 2.139 563 HG LEU 71 HG LEU 71 -1.145 -3.674 1.223 564 HD11 LEU 71 1HD1 LEU 71 -0.861 -3.971 3.400 565 HD12 LEU 71 2HD1 LEU 71 -2.532 -4.561 3.571 566 HD13 LEU 71 3HD1 LEU 71 -1.219 -5.703 3.194 567 HD21 LEU 71 1HD2 LEU 71 -1.775 -6.601 1.264 568 HD22 LEU 71 2HD2 LEU 71 -2.029 -5.673 -0.234 569 HD23 LEU 71 3HD2 LEU 71 -0.415 -5.732 0.514 570 H GLN 72 H GLN 72 -5.151 -4.948 3.398 571 HA GLN 72 HA GLN 72 -3.907 -6.858 4.717 572 HB2 GLN 72 1HB GLN 72 -5.651 -5.330 5.649 573 HB3 GLN 72 2HB GLN 72 -6.903 -6.311 4.913 574 HG2 GLN 72 1HG GLN 72 -6.911 -7.462 6.883 575 HG3 GLN 72 2HG GLN 72 -5.458 -8.235 6.281 576 HE21 GLN 72 1HE2 GLN 72 -3.641 -8.036 7.370 577 HE22 GLN 72 2HE2 GLN 72 -3.323 -6.928 8.663 578 H ALA 73 H ALA 73 -6.852 -7.398 2.669 579 HA ALA 73 HA ALA 73 -7.320 -10.018 3.133 580 HB1 ALA 73 1HB ALA 73 -7.345 -9.278 0.267 581 HB2 ALA 73 2HB ALA 73 -8.673 -9.819 1.321 582 HB3 ALA 73 3HB ALA 73 -8.163 -8.114 1.337 583 H GLY 74 H GLY 74 -4.838 -8.617 0.897 584 HA2 GLY 74 1HA GLY 74 -3.830 -10.771 -0.345 585 HA3 GLY 74 2HA GLY 74 -2.832 -9.478 0.289 586 H PHE 75 H PHE 75 -3.219 -9.849 3.105 587 HA PHE 75 HA PHE 75 -1.383 -11.957 3.531 588 HB2 PHE 75 1HB PHE 75 -3.114 -10.089 5.240 589 HB3 PHE 75 2HB PHE 75 -2.082 -11.284 6.002 590 HD1 PHE 75 2HD PHE 75 -0.799 -9.903 2.934 591 HD2 PHE 75 1HD PHE 75 -1.020 -9.306 7.129 592 HE1 PHE 75 2HE PHE 75 1.137 -8.310 2.809 593 HE2 PHE 75 1HE PHE 75 0.916 -7.713 7.005 594 HZ PHE 75 HZ PHE 75 1.971 -7.235 4.846 595 H LYS 76 H LYS 76 -4.752 -11.430 4.816 596 HA LYS 76 HA LYS 76 -4.939 -14.123 5.679 597 HB2 LYS 76 1HB LYS 76 -7.077 -13.537 6.462 598 HB3 LYS 76 2HB LYS 76 -6.105 -12.094 6.662 599 HG2 LYS 76 1HG LYS 76 -7.086 -11.762 4.080 600 HG3 LYS 76 2HG LYS 76 -8.424 -12.573 4.870 601 HD2 LYS 76 1HD LYS 76 -7.139 -10.337 6.405 602 HD3 LYS 76 2HD LYS 76 -8.041 -9.874 4.975 603 HE2 LYS 76 1HE LYS 76 -9.208 -11.720 7.104 604 HE3 LYS 76 2HE LYS 76 -9.364 -9.977 7.193 605 HZ1 LYS 76 1HZ LYS 76 -10.944 -11.676 5.774 606 HZ2 LYS 76 2HZ LYS 76 -10.949 -10.045 5.683 607 HZ3 LYS 76 3HZ LYS 76 -10.056 -10.920 4.632 608 H ARG 77 H ARG 77 -4.070 -14.739 3.336 609 HA ARG 77 HA ARG 77 -6.287 -15.961 2.107 610 HB2 ARG 77 1HB ARG 77 -4.915 -13.625 0.729 611 HB3 ARG 77 2HB ARG 77 -5.589 -14.925 -0.233 612 HG2 ARG 77 1HG ARG 77 -7.721 -14.496 1.381 613 HG3 ARG 77 2HG ARG 77 -7.004 -12.900 1.487 614 HD2 ARG 77 1HD ARG 77 -7.039 -12.673 -0.976 615 HD3 ARG 77 2HD ARG 77 -7.623 -14.316 -1.151 616 HE ARG 77 HE ARG 77 -9.193 -11.977 -0.306 617 HH11 ARG 77 2HH2 ARG 77 -9.030 -15.491 -0.410 618 HH12 ARG 77 1HH2 ARG 77 -10.740 -15.703 -0.240 619 HH21 ARG 77 2HH1 ARG 77 -11.450 -12.256 -0.083 620 HH22 ARG 77 1HH1 ARG 77 -12.127 -13.851 -0.053 621 H MET 78 H MET 78 -2.842 -14.909 1.908 622 HA MET 78 HA MET 78 -2.209 -17.354 0.496 623 HB2 MET 78 1HB MET 78 -0.359 -15.064 1.356 624 HB3 MET 78 2HB MET 78 -0.008 -16.286 0.150 625 HG2 MET 78 1HG MET 78 -2.058 -14.037 -0.036 626 HG3 MET 78 2HG MET 78 -0.648 -14.280 -1.048 627 HE1 MET 78 1HE MET 78 -1.549 -17.029 -3.463 628 HE2 MET 78 2HE MET 78 -0.770 -15.436 -3.310 629 HE3 MET 78 3HE MET 78 -0.312 -16.760 -2.212 630 H GLY 79 H GLY 79 -1.687 -15.669 3.619 631 HA2 GLY 79 1HA GLY 79 -1.593 -17.468 5.429 632 HA3 GLY 79 2HA GLY 79 -0.146 -17.989 4.589 633 H VAL 80 H VAL 80 -1.659 -14.982 5.958 634 HA VAL 80 HA VAL 80 0.857 -14.402 7.269 635 HB VAL 80 HB VAL 80 -0.436 -12.322 5.511 636 HG11 VAL 80 1HG1 VAL 80 0.901 -11.381 7.271 637 HG12 VAL 80 2HG1 VAL 80 2.236 -12.510 6.936 638 HG13 VAL 80 3HG1 VAL 80 1.821 -11.245 5.754 639 HG21 VAL 80 1HG2 VAL 80 1.394 -12.712 3.890 640 HG22 VAL 80 2HG2 VAL 80 1.903 -14.135 4.830 641 HG23 VAL 80 3HG2 VAL 80 0.308 -14.115 4.040 642 H ASP 81 H ASP 81 0.442 -13.728 9.317 643 HA ASP 81 HA ASP 81 -2.268 -12.759 9.784 644 HB2 ASP 81 1HB ASP 81 -1.679 -14.967 10.852 645 HB3 ASP 81 2HB ASP 81 -0.373 -14.179 11.714 646 H LYS 82 H LYS 82 -0.960 -10.658 9.063 647 HA LYS 82 HA LYS 82 0.454 -9.583 11.402 648 HB2 LYS 82 1HB LYS 82 2.011 -9.586 9.668 649 HB3 LYS 82 2HB LYS 82 0.821 -9.187 8.445 650 HG2 LYS 82 1HG LYS 82 1.837 -7.108 8.699 651 HG3 LYS 82 2HG LYS 82 0.540 -6.948 9.866 652 HD2 LYS 82 1HD LYS 82 2.003 -7.436 11.721 653 HD3 LYS 82 2HD LYS 82 3.269 -8.033 10.668 654 HE2 LYS 82 1HE LYS 82 3.791 -5.830 9.854 655 HE3 LYS 82 2HE LYS 82 2.295 -5.156 10.471 656 HZ1 LYS 82 1HZ LYS 82 3.426 -6.149 12.675 657 HZ2 LYS 82 2HZ LYS 82 4.743 -5.660 11.843 658 HZ3 LYS 82 3HZ LYS 82 3.555 -4.594 12.190 659 H ILE 83 H ILE 83 -0.320 -7.746 12.388 660 HA ILE 83 HA ILE 83 -2.953 -6.913 11.530 661 HB ILE 83 HB ILE 83 -1.289 -6.205 13.949 662 HG12 ILE 83 1HG1 ILE 83 -1.993 -8.596 13.767 663 HG13 ILE 83 2HG1 ILE 83 -2.623 -7.757 15.170 664 HG21 ILE 83 1HG2 ILE 83 -3.103 -4.543 13.070 665 HG22 ILE 83 2HG2 ILE 83 -4.245 -5.735 13.736 666 HG23 ILE 83 3HG2 ILE 83 -3.039 -4.968 14.797 667 HD11 ILE 83 1HD1 ILE 83 -4.158 -9.222 13.412 668 HD12 ILE 83 2HD1 ILE 83 -4.793 -7.936 14.466 669 HD13 ILE 83 3HD1 ILE 83 -4.373 -7.573 12.775 670 H ILE 84 H ILE 84 -3.100 -5.427 9.936 671 HA ILE 84 HA ILE 84 -0.926 -3.582 9.530 672 HB ILE 84 HB ILE 84 -3.521 -4.110 8.088 673 HG12 ILE 84 1HG1 ILE 84 -0.624 -4.779 7.535 674 HG13 ILE 84 2HG1 ILE 84 -1.968 -5.883 7.747 675 HG21 ILE 84 1HG2 ILE 84 -2.690 -1.671 8.057 676 HG22 ILE 84 2HG2 ILE 84 -1.355 -2.289 7.056 677 HG23 ILE 84 3HG2 ILE 84 -3.038 -2.470 6.505 678 HD11 ILE 84 1HD1 ILE 84 -2.030 -5.872 5.459 679 HD12 ILE 84 2HD1 ILE 84 -2.912 -4.341 5.671 680 HD13 ILE 84 3HD1 ILE 84 -1.162 -4.322 5.349 681 HA PRO 85 HA PRO 85 -2.878 -0.657 12.129 682 HB2 PRO 85 1HB PRO 85 -0.823 1.143 12.198 683 HB3 PRO 85 2HB PRO 85 -0.933 -0.228 13.283 684 HG2 PRO 85 1HG PRO 85 0.826 0.142 10.936 685 HG3 PRO 85 2HG PRO 85 0.985 -0.997 12.258 686 HD2 PRO 85 1HD PRO 85 0.057 -1.568 9.605 687 HD3 PRO 85 2HD PRO 85 0.108 -2.679 10.959 688 H VAL 86 H VAL 86 -4.260 -0.633 10.023 689 HA VAL 86 HA VAL 86 -3.755 1.396 8.189 690 HB VAL 86 HB VAL 86 -6.426 0.295 9.081 691 HG11 VAL 86 1HG1 VAL 86 -6.997 0.717 6.647 692 HG12 VAL 86 2HG1 VAL 86 -6.768 2.170 7.651 693 HG13 VAL 86 3HG1 VAL 86 -5.482 1.645 6.537 694 HG21 VAL 86 1HG2 VAL 86 -5.139 -1.623 8.616 695 HG22 VAL 86 2HG2 VAL 86 -6.030 -1.301 7.109 696 HG23 VAL 86 3HG2 VAL 86 -4.314 -0.847 7.243 697 H ASP 87 H ASP 87 -6.111 1.397 10.965 698 HA ASP 87 HA ASP 87 -6.996 3.862 10.874 699 HB2 ASP 87 1HB ASP 87 -6.946 1.908 12.791 700 HB3 ASP 87 2HB ASP 87 -5.924 3.100 13.569 701 H LYS 88 H LYS 88 -3.736 2.815 12.013 702 HA LYS 88 HA LYS 88 -2.982 5.492 12.744 703 HB2 LYS 88 1HB LYS 88 -1.181 3.075 12.513 704 HB3 LYS 88 2HB LYS 88 -0.936 4.520 13.473 705 HG2 LYS 88 1HG LYS 88 -3.035 3.923 14.787 706 HG3 LYS 88 2HG LYS 88 -3.106 2.414 13.899 707 HD2 LYS 88 1HD LYS 88 -1.975 2.026 16.037 708 HD3 LYS 88 2HD LYS 88 -0.819 1.818 14.736 709 HE2 LYS 88 1HE LYS 88 0.129 3.167 16.612 710 HE3 LYS 88 2HE LYS 88 0.097 4.072 15.112 711 HZ1 LYS 88 1HZ LYS 88 -1.647 5.339 15.843 712 HZ2 LYS 88 2HZ LYS 88 -2.156 4.254 16.953 713 HZ3 LYS 88 3HZ LYS 88 -0.809 5.134 17.230 714 H LEU 89 H LEU 89 -1.796 3.065 10.306 715 HA LEU 89 HA LEU 89 -0.096 4.634 8.929 716 HB2 LEU 89 1HB LEU 89 -2.023 2.537 7.938 717 HB3 LEU 89 2HB LEU 89 -0.796 3.261 6.917 718 HG LEU 89 HG LEU 89 -0.190 1.791 9.496 719 HD11 LEU 89 1HD1 LEU 89 -1.285 0.369 7.721 720 HD12 LEU 89 2HD1 LEU 89 0.130 0.700 6.694 721 HD13 LEU 89 3HD1 LEU 89 0.335 -0.154 8.242 722 HD21 LEU 89 1HD2 LEU 89 1.618 3.208 9.064 723 HD22 LEU 89 2HD2 LEU 89 2.108 1.649 8.359 724 HD23 LEU 89 3HD2 LEU 89 1.521 2.957 7.304 725 H VAL 90 H VAL 90 -3.677 4.419 8.383 726 HA VAL 90 HA VAL 90 -3.715 6.358 6.367 727 HB VAL 90 HB VAL 90 -6.105 6.378 6.740 728 HG11 VAL 90 1HG1 VAL 90 -5.352 3.510 7.230 729 HG12 VAL 90 2HG1 VAL 90 -6.522 4.200 6.080 730 HG13 VAL 90 3HG1 VAL 90 -4.776 4.334 5.761 731 HG21 VAL 90 1HG2 VAL 90 -6.678 4.575 8.743 732 HG22 VAL 90 2HG2 VAL 90 -5.328 5.504 9.438 733 HG23 VAL 90 3HG2 VAL 90 -6.794 6.346 8.880 734 H LYS 91 H LYS 91 -3.755 6.526 9.933 735 HA LYS 91 HA LYS 91 -4.470 9.288 9.977 736 HB2 LYS 91 1HB LYS 91 -3.617 7.239 12.001 737 HB3 LYS 91 2HB LYS 91 -3.587 8.937 12.432 738 HG2 LYS 91 1HG LYS 91 -6.035 7.590 11.206 739 HG3 LYS 91 2HG LYS 91 -5.776 7.691 12.936 740 HD2 LYS 91 1HD LYS 91 -5.468 10.272 11.464 741 HD3 LYS 91 2HD LYS 91 -7.089 9.605 11.455 742 HE2 LYS 91 1HE LYS 91 -5.523 9.780 14.053 743 HE3 LYS 91 2HE LYS 91 -6.367 11.186 13.435 744 HZ1 LYS 91 1HZ LYS 91 -8.338 10.270 13.884 745 HZ2 LYS 91 2HZ LYS 91 -7.897 8.755 13.460 746 HZ3 LYS 91 3HZ LYS 91 -7.502 9.338 14.934 747 H GLY 92 H GLY 92 -1.636 7.527 9.173 748 HA2 GLY 92 1HA GLY 92 0.449 8.197 8.666 749 HA3 GLY 92 2HA GLY 92 -0.125 9.853 8.704 750 H LYS 93 H LYS 93 0.917 7.125 10.841 751 HA LYS 93 HA LYS 93 1.535 9.065 12.927 752 HB2 LYS 93 1HB LYS 93 1.255 6.060 12.864 753 HB3 LYS 93 2HB LYS 93 2.030 6.875 14.208 754 HG2 LYS 93 1HG LYS 93 -0.513 8.164 13.435 755 HG3 LYS 93 2HG LYS 93 -0.730 6.483 13.883 756 HD2 LYS 93 1HD LYS 93 -0.760 7.255 16.032 757 HD3 LYS 93 2HD LYS 93 0.984 7.332 15.876 758 HE2 LYS 93 1HE LYS 93 1.012 9.637 15.707 759 HE3 LYS 93 2HE LYS 93 -0.478 9.698 14.786 760 HZ1 LYS 93 1HZ LYS 93 -0.382 9.065 17.652 761 HZ2 LYS 93 2HZ LYS 93 -0.646 10.566 17.064 762 HZ3 LYS 93 3HZ LYS 93 -1.714 9.369 16.758 763 H PHE 94 H PHE 94 2.967 8.220 10.156 764 HA PHE 94 HA PHE 94 5.039 8.138 9.409 765 HB2 PHE 94 1HB PHE 94 5.338 10.257 10.586 766 HB3 PHE 94 2HB PHE 94 5.351 9.466 12.150 767 HD1 PHE 94 2HD PHE 94 7.311 9.612 8.980 768 HD2 PHE 94 1HD PHE 94 7.382 9.052 13.186 769 HE1 PHE 94 2HE PHE 94 9.820 9.557 8.931 770 HE2 PHE 94 1HE PHE 94 9.890 8.997 13.137 771 HZ PHE 94 HZ PHE 94 11.080 9.250 11.010 772 H GLN 95 H GLN 95 5.991 7.736 12.868 773 HA GLN 95 HA GLN 95 7.791 5.778 12.421 774 HB2 GLN 95 1HB GLN 95 6.778 7.100 14.637 775 HB3 GLN 95 2HB GLN 95 6.287 5.448 14.958 776 HG2 GLN 95 1HG GLN 95 8.733 4.779 14.380 777 HG3 GLN 95 2HG GLN 95 9.109 6.488 14.480 778 HE21 GLN 95 1HE2 GLN 95 7.540 3.841 16.246 779 HE22 GLN 95 2HE2 GLN 95 7.978 4.343 17.844 780 H ASP 96 H ASP 96 4.303 5.351 13.347 781 HA ASP 96 HA ASP 96 4.334 2.619 13.419 782 HB2 ASP 96 1HB ASP 96 2.434 4.665 13.645 783 HB3 ASP 96 2HB ASP 96 1.875 3.776 12.241 784 H ASN 97 H ASN 97 4.702 4.819 10.757 785 HA ASN 97 HA ASN 97 3.672 2.959 8.822 786 HB2 ASN 97 1HB ASN 97 4.162 5.801 8.931 787 HB3 ASN 97 2HB ASN 97 5.158 5.161 7.638 788 HD21 ASN 97 1HD2 ASN 97 2.005 5.919 8.727 789 HD22 ASN 97 2HD2 ASN 97 1.104 5.458 7.321 790 H PHE 98 H PHE 98 6.735 4.287 10.136 791 HA PHE 98 HA PHE 98 8.355 3.046 8.124 792 HB2 PHE 98 1HB PHE 98 8.773 5.216 9.508 793 HB3 PHE 98 2HB PHE 98 9.057 4.182 10.894 794 HD1 PHE 98 2HD PHE 98 10.802 2.167 10.277 795 HD2 PHE 98 1HD PHE 98 10.660 6.000 8.463 796 HE1 PHE 98 2HE PHE 98 13.214 1.944 9.617 797 HE2 PHE 98 1HE PHE 98 13.072 5.778 7.804 798 HZ PHE 98 HZ PHE 98 14.320 3.752 8.388 799 H GLU 99 H GLU 99 7.308 2.375 11.493 800 HA GLU 99 HA GLU 99 9.099 0.182 11.728 801 HB2 GLU 99 1HB GLU 99 6.707 0.972 13.451 802 HB3 GLU 99 2HB GLU 99 7.925 -0.209 13.889 803 HG2 GLU 99 1HG GLU 99 8.724 2.627 13.145 804 HG3 GLU 99 2HG GLU 99 8.176 2.254 14.768 805 H PHE 100 H PHE 100 6.237 0.682 10.005 806 HA PHE 100 HA PHE 100 5.334 -2.071 10.373 807 HB2 PHE 100 1HB PHE 100 3.529 -0.483 10.501 808 HB3 PHE 100 2HB PHE 100 4.244 0.560 9.288 809 HD1 PHE 100 1HD PHE 100 4.026 0.014 6.896 810 HD2 PHE 100 2HD PHE 100 2.114 -2.325 9.876 811 HE1 PHE 100 1HE PHE 100 2.540 -1.001 5.146 812 HE2 PHE 100 2HE PHE 100 0.628 -3.340 8.126 813 HZ PHE 100 HZ PHE 100 0.859 -2.666 5.782 814 H VAL 101 H VAL 101 6.714 0.229 8.008 815 HA VAL 101 HA VAL 101 6.341 -1.512 5.786 816 HB VAL 101 HB VAL 101 6.467 0.938 5.631 817 HG11 VAL 101 1HG1 VAL 101 8.500 2.160 5.931 818 HG12 VAL 101 2HG1 VAL 101 8.254 1.186 7.400 819 HG13 VAL 101 3HG1 VAL 101 9.437 0.667 6.176 820 HG21 VAL 101 1HG2 VAL 101 8.226 0.984 3.742 821 HG22 VAL 101 2HG2 VAL 101 8.452 -0.745 4.100 822 HG23 VAL 101 3HG2 VAL 101 6.858 -0.144 3.587 823 H GLN 102 H GLN 102 9.211 -0.515 7.782 824 HA GLN 102 HA GLN 102 11.115 -1.955 6.617 825 HB2 GLN 102 1HB GLN 102 12.135 -2.197 8.934 826 HB3 GLN 102 2HB GLN 102 11.639 -0.571 8.509 827 HG2 GLN 102 1HG GLN 102 10.403 -0.535 10.411 828 HG3 GLN 102 2HG GLN 102 9.325 -1.694 9.659 829 HE21 GLN 102 1HE2 GLN 102 10.866 -1.118 12.382 830 HE22 GLN 102 2HE2 GLN 102 11.261 -2.707 12.947 831 H TRP 103 H TRP 103 8.399 -3.202 8.544 832 HA TRP 103 HA TRP 103 9.514 -5.827 8.801 833 HB2 TRP 103 1HB TRP 103 8.041 -5.049 10.506 834 HB3 TRP 103 2HB TRP 103 6.789 -4.651 9.346 835 HD1 TRP 103 HD TRP 103 8.243 -7.652 11.233 836 HE1 TRP 103 1HE TRP 103 6.712 -9.787 10.989 837 HE3 TRP 103 3HE TRP 103 5.170 -5.689 7.690 838 HZ2 TRP 103 2HZ TRP 103 4.438 -10.401 9.378 839 HZ3 TRP 103 3HZ TRP 103 3.319 -7.123 6.834 840 HH2 TRP 103 HH TRP 103 2.929 -9.404 7.621 841 H PHE 104 H PHE 104 6.772 -4.321 6.935 842 HA PHE 104 HA PHE 104 5.985 -6.434 5.469 843 HB2 PHE 104 1HB PHE 104 6.063 -3.494 5.314 844 HB3 PHE 104 2HB PHE 104 6.205 -4.165 3.702 845 HD1 PHE 104 1HD PHE 104 4.089 -4.307 6.755 846 HD2 PHE 104 2HD PHE 104 4.303 -4.888 2.557 847 HE1 PHE 104 1HE PHE 104 1.603 -4.644 6.675 848 HE2 PHE 104 2HE PHE 104 1.817 -5.225 2.477 849 HZ PHE 104 HZ PHE 104 0.496 -5.099 4.536 850 H LYS 105 H LYS 105 8.883 -4.371 4.894 851 HA LYS 105 HA LYS 105 9.513 -5.559 2.411 852 HB2 LYS 105 1HB LYS 105 10.246 -3.295 3.227 853 HB3 LYS 105 2HB LYS 105 11.354 -4.096 4.323 854 HG2 LYS 105 1HG LYS 105 11.604 -5.185 1.611 855 HG3 LYS 105 2HG LYS 105 11.821 -3.446 1.604 856 HD2 LYS 105 1HD LYS 105 13.330 -4.072 3.795 857 HD3 LYS 105 2HD LYS 105 13.501 -5.567 2.896 858 HE2 LYS 105 1HE LYS 105 14.118 -4.116 0.849 859 HE3 LYS 105 2HE LYS 105 14.212 -2.756 1.950 860 HZ1 LYS 105 1HZ LYS 105 15.761 -4.228 3.269 861 HZ2 LYS 105 2HZ LYS 105 15.855 -5.174 1.941 862 HZ3 LYS 105 3HZ LYS 105 16.339 -3.616 1.870 863 H LYS 106 H LYS 106 10.821 -6.008 5.769 864 HA LYS 106 HA LYS 106 12.649 -7.955 5.214 865 HB2 LYS 106 1HB LYS 106 10.915 -7.445 7.635 866 HB3 LYS 106 2HB LYS 106 12.112 -8.724 7.610 867 HG2 LYS 106 1HG LYS 106 12.761 -5.820 6.930 868 HG3 LYS 106 2HG LYS 106 12.921 -6.483 8.544 869 HD2 LYS 106 1HD LYS 106 15.042 -7.035 7.905 870 HD3 LYS 106 2HD LYS 106 14.287 -8.378 7.070 871 HE2 LYS 106 1HE LYS 106 14.972 -7.542 5.078 872 HE3 LYS 106 2HE LYS 106 14.039 -6.085 5.355 873 HZ1 LYS 106 1HZ LYS 106 15.960 -5.055 5.549 874 HZ2 LYS 106 2HZ LYS 106 16.253 -5.860 6.939 875 HZ3 LYS 106 3HZ LYS 106 16.816 -6.446 5.522 876 H PHE 107 H PHE 107 9.182 -8.482 6.182 877 HA PHE 107 HA PHE 107 9.167 -11.203 5.915 878 HB2 PHE 107 1HB PHE 107 7.396 -9.269 6.593 879 HB3 PHE 107 2HB PHE 107 6.881 -9.444 4.927 880 HD1 PHE 107 2HD PHE 107 7.359 -11.341 8.079 881 HD2 PHE 107 1HD PHE 107 5.439 -11.186 4.298 882 HE1 PHE 107 2HE PHE 107 5.922 -13.293 8.729 883 HE2 PHE 107 1HE PHE 107 4.001 -13.138 4.948 884 HZ PHE 107 HZ PHE 107 4.260 -14.169 7.156 885 H PHE 108 H PHE 108 8.100 -8.791 3.402 886 HA PHE 108 HA PHE 108 7.473 -10.401 1.380 887 HB2 PHE 108 1HB PHE 108 8.833 -7.751 1.749 888 HB3 PHE 108 2HB PHE 108 9.076 -8.444 0.158 889 HD1 PHE 108 1HD PHE 108 6.128 -8.352 2.457 890 HD2 PHE 108 2HD PHE 108 7.705 -7.401 -1.367 891 HE1 PHE 108 1HE PHE 108 3.878 -7.500 1.741 892 HE2 PHE 108 2HE PHE 108 5.455 -6.549 -2.083 893 HZ PHE 108 HZ PHE 108 3.569 -6.608 -0.520 894 H ASP 109 H ASP 109 10.873 -9.222 1.947 895 HA ASP 109 HA ASP 109 12.034 -10.647 -0.046 896 HB2 ASP 109 1HB ASP 109 12.929 -8.960 1.878 897 HB3 ASP 109 2HB ASP 109 13.476 -10.463 2.592 898 H SER 110 H SER 110 11.613 -11.542 3.463 899 HA SER 110 HA SER 110 12.825 -13.926 3.501 900 HB2 SER 110 1HB SER 110 11.401 -12.577 5.301 901 HB3 SER 110 2HB SER 110 10.121 -13.675 4.825 902 HG SER 110 HG SER 110 11.762 -14.251 6.663 903 H GLY 111 H GLY 111 12.243 -16.138 3.066 904 HA2 GLY 111 1HA GLY 111 10.318 -17.597 2.460 905 HA3 GLY 111 2HA GLY 111 9.950 -16.419 1.216 906 HA PRO 112 HA PRO 112 13.293 -19.443 -0.108 907 HB2 PRO 112 1HB PRO 112 11.955 -21.707 -0.850 908 HB3 PRO 112 2HB PRO 112 12.777 -21.541 0.689 909 HG2 PRO 112 1HG PRO 112 9.878 -21.458 0.118 910 HG3 PRO 112 2HG PRO 112 10.688 -21.719 1.650 911 HD2 PRO 112 1HD PRO 112 9.418 -19.302 0.771 912 HD3 PRO 112 2HD PRO 112 10.328 -19.530 2.251 913 H SER 113 H SER 113 13.969 -19.908 -2.266 914 HA SER 113 HA SER 113 14.011 -19.257 -4.351 915 HB2 SER 113 1HB SER 113 12.753 -21.246 -4.748 916 HB3 SER 113 2HB SER 113 11.273 -20.543 -4.128 917 HG SER 113 HG SER 113 12.053 -20.643 -6.673 918 H SER 114 H SER 114 14.196 -16.959 -4.116 919 HA SER 114 HA SER 114 11.793 -15.585 -4.941 920 HB2 SER 114 1HB SER 114 13.406 -14.913 -2.450 921 HB3 SER 114 2HB SER 114 12.391 -13.724 -3.242 922 HG SER 114 HG SER 114 10.667 -14.611 -2.343 923 H GLY 115 H GLY 115 12.355 -14.423 -6.742 924 HA2 GLY 115 1HA GLY 115 14.073 -12.455 -7.089 925 HA3 GLY 115 2HA GLY 115 15.178 -13.811 -7.186 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 9.978 26.449 -2.317 2 HA2 GLY 1 1HA GLY 1 9.549 23.735 -3.103 3 HA3 GLY 1 2HA GLY 1 9.779 24.782 -4.489 4 H SER 2 H SER 2 11.455 22.652 -2.777 5 HA SER 2 HA SER 2 13.898 24.175 -3.094 6 HB2 SER 2 1HB SER 2 13.412 24.337 -0.702 7 HB3 SER 2 2HB SER 2 13.119 22.613 -0.595 8 HG SER 2 HG SER 2 15.196 22.623 0.016 9 H SER 3 H SER 3 12.539 20.941 -2.107 10 HA SER 3 HA SER 3 12.942 18.921 -2.790 11 HB2 SER 3 1HB SER 3 13.008 20.417 -5.150 12 HB3 SER 3 2HB SER 3 14.494 19.493 -5.237 13 HG SER 3 HG SER 3 12.048 18.633 -5.828 14 H GLY 4 H GLY 4 14.408 17.882 -1.482 15 HA2 GLY 4 1HA GLY 4 17.245 18.094 -2.176 16 HA3 GLY 4 2HA GLY 4 16.769 18.537 -0.549 17 H SER 5 H SER 5 18.523 16.335 -1.197 18 HA SER 5 HA SER 5 17.049 14.290 0.146 19 HB2 SER 5 1HB SER 5 17.632 12.517 -1.515 20 HB3 SER 5 2HB SER 5 16.511 13.699 -2.159 21 HG SER 5 HG SER 5 19.374 13.639 -2.612 22 H SER 6 H SER 6 18.426 13.138 1.518 23 HA SER 6 HA SER 6 21.104 12.691 0.929 24 HB2 SER 6 1HB SER 6 22.076 14.155 2.789 25 HB3 SER 6 2HB SER 6 21.580 14.996 1.334 26 HG SER 6 HG SER 6 19.631 15.650 2.382 27 H GLY 7 H GLY 7 21.844 11.031 2.281 28 HA2 GLY 7 1HA GLY 7 21.841 10.287 4.667 29 HA3 GLY 7 2HA GLY 7 20.094 10.380 4.575 30 H GLN 8 H GLN 8 20.977 7.957 5.296 31 HA GLN 8 HA GLN 8 20.968 6.426 2.812 32 HB2 GLN 8 1HB GLN 8 22.968 6.309 4.535 33 HB3 GLN 8 2HB GLN 8 21.885 5.294 5.466 34 HG2 GLN 8 1HG GLN 8 21.560 4.088 3.068 35 HG3 GLN 8 2HG GLN 8 23.150 4.767 2.784 36 HE21 GLN 8 1HE2 GLN 8 21.300 2.369 4.353 37 HE22 GLN 8 2HE2 GLN 8 22.565 1.543 5.200 38 H ARG 9 H ARG 9 19.770 6.586 6.222 39 HA ARG 9 HA ARG 9 18.007 4.429 5.840 40 HB2 ARG 9 1HB ARG 9 18.639 6.405 7.988 41 HB3 ARG 9 2HB ARG 9 16.991 5.808 8.018 42 HG2 ARG 9 1HG ARG 9 18.390 3.460 7.602 43 HG3 ARG 9 2HG ARG 9 19.541 4.364 8.566 44 HD2 ARG 9 1HD ARG 9 16.732 4.498 9.561 45 HD3 ARG 9 2HD ARG 9 17.439 2.895 9.604 46 HE ARG 9 HE ARG 9 18.979 3.616 11.241 47 HH11 ARG 9 2HH2 ARG 9 17.263 6.375 9.890 48 HH12 ARG 9 1HH2 ARG 9 17.840 7.483 11.090 49 HH21 ARG 9 2HH1 ARG 9 19.740 5.077 12.824 50 HH22 ARG 9 1HH1 ARG 9 19.258 6.740 12.770 51 H ARG 10 H ARG 10 15.507 4.949 6.567 52 HA ARG 10 HA ARG 10 13.604 5.875 6.104 53 HB2 ARG 10 1HB ARG 10 15.388 8.173 6.040 54 HB3 ARG 10 2HB ARG 10 14.174 8.368 4.791 55 HG2 ARG 10 1HG ARG 10 12.997 7.369 7.298 56 HG3 ARG 10 2HG ARG 10 13.844 8.883 7.543 57 HD2 ARG 10 1HD ARG 10 11.688 8.379 5.434 58 HD3 ARG 10 2HD ARG 10 11.464 9.273 6.924 59 HE ARG 10 HE ARG 10 12.861 11.047 6.065 60 HH11 ARG 10 2HH2 ARG 10 12.357 8.437 3.759 61 HH12 ARG 10 1HH2 ARG 10 12.856 9.376 2.392 62 HH21 ARG 10 2HH1 ARG 10 13.520 12.287 4.262 63 HH22 ARG 10 1HH1 ARG 10 13.522 11.581 2.680 64 H HIS 11 H HIS 11 15.931 7.012 3.535 65 HA HIS 11 HA HIS 11 14.037 6.562 1.476 66 HB2 HIS 11 1HB HIS 11 15.632 8.295 1.173 67 HB3 HIS 11 2HB HIS 11 16.981 7.233 1.524 68 HD1 HIS 11 1HD HIS 11 17.735 5.559 -0.371 69 HD2 HIS 11 2HD HIS 11 14.681 8.216 -1.474 70 HE1 HIS 11 1HE HIS 11 17.575 5.448 -2.915 71 H ASP 12 H ASP 12 15.750 4.438 3.421 72 HA ASP 12 HA ASP 12 16.765 2.640 1.580 73 HB2 ASP 12 1HB ASP 12 17.130 2.723 4.117 74 HB3 ASP 12 2HB ASP 12 15.551 1.987 4.303 75 H MET 13 H MET 13 13.517 3.186 3.006 76 HA MET 13 HA MET 13 12.500 0.775 1.819 77 HB2 MET 13 1HB MET 13 10.894 3.002 3.161 78 HB3 MET 13 2HB MET 13 10.478 1.303 3.058 79 HG2 MET 13 1HG MET 13 13.063 1.539 4.356 80 HG3 MET 13 2HG MET 13 11.945 2.638 5.139 81 HE1 MET 13 1HE MET 13 12.157 -1.555 4.292 82 HE2 MET 13 2HE MET 13 10.402 -1.425 4.026 83 HE3 MET 13 3HE MET 13 11.520 -0.385 3.112 84 H LEU 14 H LEU 14 11.989 4.359 1.551 85 HA LEU 14 HA LEU 14 10.062 4.419 -0.352 86 HB2 LEU 14 1HB LEU 14 12.448 6.255 -0.394 87 HB3 LEU 14 2HB LEU 14 10.799 6.603 -0.875 88 HG LEU 14 HG LEU 14 11.986 6.432 1.870 89 HD11 LEU 14 1HD1 LEU 14 10.575 8.483 2.168 90 HD12 LEU 14 2HD1 LEU 14 11.841 8.618 0.924 91 HD13 LEU 14 3HD1 LEU 14 10.145 8.366 0.445 92 HD21 LEU 14 1HD2 LEU 14 10.253 4.914 2.246 93 HD22 LEU 14 2HD2 LEU 14 9.559 6.481 2.726 94 HD23 LEU 14 3HD2 LEU 14 9.136 5.766 1.152 95 H ALA 15 H ALA 15 13.611 3.944 -0.838 96 HA ALA 15 HA ALA 15 13.517 3.910 -3.627 97 HB1 ALA 15 1HB ALA 15 15.548 4.155 -2.170 98 HB2 ALA 15 2HB ALA 15 15.420 2.424 -1.774 99 HB3 ALA 15 3HB ALA 15 15.733 2.932 -3.451 100 H TRP 16 H TRP 16 13.212 1.287 -1.155 101 HA TRP 16 HA TRP 16 13.196 -0.899 -2.758 102 HB2 TRP 16 1HB TRP 16 13.051 -0.896 -0.300 103 HB3 TRP 16 2HB TRP 16 11.381 -0.373 -0.397 104 HD1 TRP 16 HD TRP 16 13.364 -3.375 -1.968 105 HE1 TRP 16 1HE TRP 16 11.954 -5.598 -1.784 106 HE3 TRP 16 3HE TRP 16 9.341 -1.255 0.306 107 HZ2 TRP 16 2HZ TRP 16 9.372 -6.206 -0.732 108 HZ3 TRP 16 3HZ TRP 16 7.417 -2.734 0.878 109 HH2 TRP 16 HH TRP 16 7.389 -5.129 0.395 110 H ILE 17 H ILE 17 10.165 0.812 -1.679 111 HA ILE 17 HA ILE 17 8.523 -0.397 -3.545 112 HB ILE 17 HB ILE 17 8.342 2.205 -2.041 113 HG12 ILE 17 1HG1 ILE 17 6.360 0.411 -1.220 114 HG13 ILE 17 2HG1 ILE 17 7.777 -0.594 -1.454 115 HG21 ILE 17 1HG2 ILE 17 6.229 0.914 -3.789 116 HG22 ILE 17 2HG2 ILE 17 5.948 2.251 -2.649 117 HG23 ILE 17 3HG2 ILE 17 7.021 2.487 -4.050 118 HD11 ILE 17 1HD1 ILE 17 9.097 0.716 0.072 119 HD12 ILE 17 2HD1 ILE 17 7.895 2.029 0.090 120 HD13 ILE 17 3HD1 ILE 17 7.524 0.472 0.868 121 H ASN 18 H ASN 18 10.006 2.922 -3.676 122 HA ASN 18 HA ASN 18 9.157 3.763 -6.015 123 HB2 ASN 18 1HB ASN 18 11.993 3.853 -4.885 124 HB3 ASN 18 2HB ASN 18 11.567 4.728 -6.343 125 HD21 ASN 18 1HD2 ASN 18 12.487 6.059 -4.173 126 HD22 ASN 18 2HD2 ASN 18 11.243 7.015 -3.440 127 H GLU 19 H GLU 19 11.872 1.417 -5.467 128 HA GLU 19 HA GLU 19 12.030 0.993 -8.324 129 HB2 GLU 19 1HB GLU 19 13.857 0.690 -6.028 130 HB3 GLU 19 2HB GLU 19 13.904 -0.690 -7.107 131 HG2 GLU 19 1HG GLU 19 13.849 1.626 -8.784 132 HG3 GLU 19 2HG GLU 19 14.998 1.977 -7.508 133 H SER 20 H SER 20 9.624 0.113 -7.724 134 HA SER 20 HA SER 20 9.935 -2.730 -7.876 135 HB2 SER 20 1HB SER 20 8.244 -1.439 -5.689 136 HB3 SER 20 2HB SER 20 8.184 -3.140 -6.108 137 HG SER 20 HG SER 20 10.514 -1.705 -5.150 138 H LEU 21 H LEU 21 7.752 0.145 -7.683 139 HA LEU 21 HA LEU 21 6.225 -1.031 -9.893 140 HB2 LEU 21 1HB LEU 21 4.878 0.617 -7.787 141 HB3 LEU 21 2HB LEU 21 4.180 -0.495 -8.948 142 HG LEU 21 HG LEU 21 6.005 -1.565 -6.818 143 HD11 LEU 21 1HD1 LEU 21 3.762 -1.931 -5.513 144 HD12 LEU 21 2HD1 LEU 21 4.666 -0.407 -5.349 145 HD13 LEU 21 3HD1 LEU 21 3.238 -0.485 -6.409 146 HD21 LEU 21 1HD2 LEU 21 3.491 -2.818 -7.905 147 HD22 LEU 21 2HD2 LEU 21 5.028 -2.895 -8.799 148 HD23 LEU 21 3HD2 LEU 21 4.913 -3.593 -7.166 149 H GLN 22 H GLN 22 8.430 1.210 -9.077 150 HA GLN 22 HA GLN 22 9.110 3.034 -10.054 151 HB2 GLN 22 1HB GLN 22 7.196 2.026 -11.976 152 HB3 GLN 22 2HB GLN 22 7.073 3.773 -11.932 153 HG2 GLN 22 1HG GLN 22 9.220 4.094 -12.744 154 HG3 GLN 22 2HG GLN 22 9.858 2.675 -11.937 155 HE21 GLN 22 1HE2 GLN 22 10.919 2.049 -13.818 156 HE22 GLN 22 2HE2 GLN 22 10.103 1.310 -15.155 157 H LEU 23 H LEU 23 8.402 3.743 -7.771 158 HA LEU 23 HA LEU 23 6.190 5.662 -7.970 159 HB2 LEU 23 1HB LEU 23 7.409 4.459 -5.484 160 HB3 LEU 23 2HB LEU 23 5.996 5.491 -5.575 161 HG LEU 23 HG LEU 23 5.181 3.309 -5.249 162 HD11 LEU 23 1HD1 LEU 23 4.946 3.672 -8.241 163 HD12 LEU 23 2HD1 LEU 23 3.780 2.924 -7.123 164 HD13 LEU 23 3HD1 LEU 23 4.076 4.678 -7.059 165 HD21 LEU 23 1HD2 LEU 23 7.534 2.436 -6.358 166 HD22 LEU 23 2HD2 LEU 23 6.154 1.406 -5.907 167 HD23 LEU 23 3HD2 LEU 23 6.337 1.964 -7.588 168 H ASN 24 H ASN 24 7.054 7.092 -5.554 169 HA ASN 24 HA ASN 24 9.679 7.977 -5.919 170 HB2 ASN 24 1HB ASN 24 8.223 9.027 -7.909 171 HB3 ASN 24 2HB ASN 24 7.669 10.127 -6.662 172 HD21 ASN 24 1HD2 ASN 24 8.813 11.864 -6.268 173 HD22 ASN 24 2HD2 ASN 24 10.462 12.153 -6.713 174 H LEU 25 H LEU 25 8.658 7.149 -3.617 175 HA LEU 25 HA LEU 25 7.173 9.177 -2.236 176 HB2 LEU 25 1HB LEU 25 8.510 6.709 -1.127 177 HB3 LEU 25 2HB LEU 25 7.256 7.670 -0.369 178 HG LEU 25 HG LEU 25 7.003 5.858 -2.775 179 HD11 LEU 25 1HD1 LEU 25 5.122 4.946 -1.249 180 HD12 LEU 25 2HD1 LEU 25 6.815 4.548 -0.867 181 HD13 LEU 25 3HD1 LEU 25 5.970 5.819 0.050 182 HD21 LEU 25 1HD2 LEU 25 5.477 7.268 -3.590 183 HD22 LEU 25 2HD2 LEU 25 4.449 6.743 -2.236 184 HD23 LEU 25 3HD2 LEU 25 5.424 8.225 -2.090 185 H THR 26 H THR 26 7.920 10.626 -0.673 186 HA THR 26 HA THR 26 10.853 10.885 -0.597 187 HB THR 26 HB THR 26 9.856 12.802 -1.681 188 HG1 THR 26 1HG THR 26 10.167 14.381 0.173 189 HG21 THR 26 1HG2 THR 26 7.534 12.833 -1.209 190 HG22 THR 26 2HG2 THR 26 7.790 12.532 0.526 191 HG23 THR 26 3HG2 THR 26 8.131 14.139 -0.157 192 H LYS 27 H LYS 27 7.875 10.533 1.287 193 HA LYS 27 HA LYS 27 9.580 10.365 3.667 194 HB2 LYS 27 1HB LYS 27 6.805 11.579 3.639 195 HB3 LYS 27 2HB LYS 27 7.910 11.481 4.995 196 HG2 LYS 27 1HG LYS 27 8.815 12.864 2.457 197 HG3 LYS 27 2HG LYS 27 7.742 13.712 3.553 198 HD2 LYS 27 1HD LYS 27 10.060 12.363 4.864 199 HD3 LYS 27 2HD LYS 27 10.488 13.676 3.786 200 HE2 LYS 27 1HE LYS 27 10.085 14.998 5.618 201 HE3 LYS 27 2HE LYS 27 8.408 14.847 5.134 202 HZ1 LYS 27 1HZ LYS 27 8.012 13.316 6.747 203 HZ2 LYS 27 2HZ LYS 27 9.554 12.783 6.829 204 HZ3 LYS 27 3HZ LYS 27 9.147 14.213 7.505 205 H ILE 28 H ILE 28 8.953 8.766 5.210 206 HA ILE 28 HA ILE 28 7.887 6.456 4.071 207 HB ILE 28 HB ILE 28 8.649 7.350 6.814 208 HG12 ILE 28 1HG1 ILE 28 10.224 6.482 4.958 209 HG13 ILE 28 2HG1 ILE 28 10.409 5.860 6.586 210 HG21 ILE 28 1HG2 ILE 28 8.101 4.916 7.513 211 HG22 ILE 28 2HG2 ILE 28 6.798 6.128 7.495 212 HG23 ILE 28 3HG2 ILE 28 6.945 4.960 6.161 213 HD11 ILE 28 1HD1 ILE 28 8.897 4.495 4.311 214 HD12 ILE 28 2HD1 ILE 28 10.474 4.005 4.975 215 HD13 ILE 28 3HD1 ILE 28 9.008 3.872 5.975 216 H GLU 29 H GLU 29 6.363 9.314 5.285 217 HA GLU 29 HA GLU 29 3.988 8.040 6.140 218 HB2 GLU 29 1HB GLU 29 5.100 10.715 6.107 219 HB3 GLU 29 2HB GLU 29 3.473 10.772 5.457 220 HG2 GLU 29 1HG GLU 29 2.881 9.230 7.539 221 HG3 GLU 29 2HG GLU 29 4.384 9.847 8.195 222 H GLN 30 H GLN 30 5.373 8.355 3.111 223 HA GLN 30 HA GLN 30 3.127 9.170 1.628 224 HB2 GLN 30 1HB GLN 30 5.793 7.904 0.999 225 HB3 GLN 30 2HB GLN 30 4.561 7.923 -0.247 226 HG2 GLN 30 1HG GLN 30 4.965 10.511 1.201 227 HG3 GLN 30 2HG GLN 30 6.306 9.989 0.202 228 HE21 GLN 30 1HE2 GLN 30 5.705 11.981 -0.942 229 HE22 GLN 30 2HE2 GLN 30 4.521 11.909 -2.204 230 H LEU 31 H LEU 31 3.871 6.308 3.357 231 HA LEU 31 HA LEU 31 2.269 4.637 1.583 232 HB2 LEU 31 1HB LEU 31 3.514 3.643 4.105 233 HB3 LEU 31 2HB LEU 31 3.214 2.808 2.593 234 HG LEU 31 HG LEU 31 5.130 4.976 2.245 235 HD11 LEU 31 1HD1 LEU 31 6.767 4.528 3.740 236 HD12 LEU 31 2HD1 LEU 31 5.388 4.009 4.738 237 HD13 LEU 31 3HD1 LEU 31 6.351 2.802 3.854 238 HD21 LEU 31 1HD2 LEU 31 5.827 2.097 1.891 239 HD22 LEU 31 2HD2 LEU 31 4.531 2.780 0.880 240 HD23 LEU 31 3HD2 LEU 31 6.159 3.500 0.846 241 H CYS 32 H CYS 32 1.164 6.958 3.123 242 HA CYS 32 HA CYS 32 -0.288 5.750 5.276 243 HB2 CYS 32 1HB CYS 32 -1.355 7.962 5.492 244 HB3 CYS 32 2HB CYS 32 0.394 8.072 5.479 245 HG CYS 32 HG CYS 32 -1.844 9.252 3.553 246 H SER 33 H SER 33 -0.533 6.092 1.818 247 HA SER 33 HA SER 33 -3.342 6.122 1.667 248 HB2 SER 33 1HB SER 33 -2.801 5.330 -0.764 249 HB3 SER 33 2HB SER 33 -2.281 6.928 -0.265 250 HG SER 33 HG SER 33 -0.755 4.909 -1.194 251 H GLY 34 H GLY 34 -0.903 3.541 0.829 252 HA2 GLY 34 1HA GLY 34 -1.028 1.341 1.635 253 HA3 GLY 34 2HA GLY 34 -2.745 1.533 1.930 254 H ALA 35 H ALA 35 -0.699 2.243 -0.990 255 HA ALA 35 HA ALA 35 -2.464 0.416 -2.475 256 HB1 ALA 35 1HB ALA 35 -2.338 3.110 -2.811 257 HB2 ALA 35 2HB ALA 35 -1.036 2.600 -3.912 258 HB3 ALA 35 3HB ALA 35 -2.687 1.972 -4.134 259 H ALA 36 H ALA 36 0.837 1.900 -2.259 260 HA ALA 36 HA ALA 36 2.187 0.519 -4.113 261 HB1 ALA 36 1HB ALA 36 4.001 0.446 -2.116 262 HB2 ALA 36 2HB ALA 36 3.543 1.954 -2.945 263 HB3 ALA 36 3HB ALA 36 2.810 1.543 -1.375 264 H TYR 37 H TYR 37 1.485 -0.694 -0.758 265 HA TYR 37 HA TYR 37 2.653 -3.156 -0.977 266 HB2 TYR 37 1HB TYR 37 -0.081 -2.462 0.260 267 HB3 TYR 37 2HB TYR 37 1.013 -3.708 0.829 268 HD1 TYR 37 2HD TYR 37 3.537 -2.651 1.281 269 HD2 TYR 37 1HD TYR 37 -0.196 -0.585 1.604 270 HE1 TYR 37 2HE TYR 37 4.589 -0.985 2.888 271 HE2 TYR 37 1HE TYR 37 0.869 1.074 3.210 272 HH TYR 37 HH TYR 37 4.208 1.314 3.599 273 H CYS 38 H CYS 38 -0.829 -2.354 -1.674 274 HA CYS 38 HA CYS 38 -1.698 -4.776 -2.434 275 HB2 CYS 38 1HB CYS 38 -2.443 -2.003 -3.063 276 HB3 CYS 38 2HB CYS 38 -2.910 -3.140 -4.311 277 HG CYS 38 HG CYS 38 -3.969 -2.635 -1.340 278 H GLN 39 H GLN 39 -0.452 -2.279 -4.784 279 HA GLN 39 HA GLN 39 -0.311 -3.830 -6.961 280 HB2 GLN 39 1HB GLN 39 0.608 -1.294 -6.215 281 HB3 GLN 39 2HB GLN 39 2.076 -2.115 -6.706 282 HG2 GLN 39 1HG GLN 39 0.341 -2.892 -8.716 283 HG3 GLN 39 2HG GLN 39 -0.274 -1.293 -8.344 284 HE21 GLN 39 1HE2 GLN 39 2.154 -3.129 -9.847 285 HE22 GLN 39 2HE2 GLN 39 3.195 -1.852 -10.382 286 H PHE 40 H PHE 40 2.462 -3.292 -4.659 287 HA PHE 40 HA PHE 40 4.297 -4.928 -5.727 288 HB2 PHE 40 1HB PHE 40 3.709 -3.654 -3.255 289 HB3 PHE 40 2HB PHE 40 3.911 -5.335 -2.802 290 HD1 PHE 40 1HD PHE 40 6.002 -5.940 -5.012 291 HD2 PHE 40 2HD PHE 40 5.653 -2.854 -2.120 292 HE1 PHE 40 1HE PHE 40 8.495 -5.644 -5.026 293 HE2 PHE 40 2HE PHE 40 8.146 -2.558 -2.135 294 HZ PHE 40 HZ PHE 40 9.537 -3.957 -3.588 295 H MET 41 H MET 41 1.716 -5.981 -3.389 296 HA MET 41 HA MET 41 2.388 -8.589 -3.228 297 HB2 MET 41 1HB MET 41 -0.128 -6.967 -3.019 298 HB3 MET 41 2HB MET 41 -0.388 -8.687 -3.235 299 HG2 MET 41 1HG MET 41 1.388 -7.456 -1.070 300 HG3 MET 41 2HG MET 41 -0.250 -8.023 -0.813 301 HE1 MET 41 1HE MET 41 -0.664 -11.216 -1.449 302 HE2 MET 41 2HE MET 41 -0.006 -11.316 0.202 303 HE3 MET 41 3HE MET 41 -0.954 -9.893 -0.293 304 H ASP 42 H ASP 42 -0.129 -7.260 -5.506 305 HA ASP 42 HA ASP 42 -0.749 -9.432 -6.862 306 HB2 ASP 42 1HB ASP 42 -1.795 -7.453 -7.586 307 HB3 ASP 42 2HB ASP 42 -0.282 -6.579 -7.723 308 H MET 43 H MET 43 2.203 -7.382 -7.325 309 HA MET 43 HA MET 43 3.176 -8.699 -9.550 310 HB2 MET 43 1HB MET 43 3.967 -6.615 -7.752 311 HB3 MET 43 2HB MET 43 5.295 -7.759 -7.742 312 HG2 MET 43 1HG MET 43 5.333 -7.692 -10.268 313 HG3 MET 43 2HG MET 43 4.060 -6.487 -10.234 314 HE1 MET 43 1HE MET 43 7.147 -7.572 -8.571 315 HE2 MET 43 2HE MET 43 8.339 -6.285 -8.873 316 HE3 MET 43 3HE MET 43 7.284 -6.204 -7.441 317 H LEU 44 H LEU 44 3.621 -9.311 -6.026 318 HA LEU 44 HA LEU 44 5.491 -11.425 -6.500 319 HB2 LEU 44 1HB LEU 44 4.013 -10.546 -4.016 320 HB3 LEU 44 2HB LEU 44 5.261 -11.775 -4.058 321 HG LEU 44 HG LEU 44 5.653 -8.865 -4.810 322 HD11 LEU 44 1HD1 LEU 44 6.800 -8.588 -2.721 323 HD12 LEU 44 2HD1 LEU 44 5.183 -9.257 -2.393 324 HD13 LEU 44 3HD1 LEU 44 6.614 -10.315 -2.330 325 HD21 LEU 44 1HD2 LEU 44 7.435 -11.264 -4.909 326 HD22 LEU 44 2HD2 LEU 44 7.304 -9.883 -6.024 327 HD23 LEU 44 3HD2 LEU 44 8.136 -9.691 -4.462 328 H PHE 45 H PHE 45 2.131 -11.310 -5.106 329 HA PHE 45 HA PHE 45 1.836 -14.073 -6.040 330 HB2 PHE 45 1HB PHE 45 0.443 -12.352 -3.903 331 HB3 PHE 45 2HB PHE 45 -0.074 -13.980 -4.294 332 HD1 PHE 45 1HD PHE 45 1.370 -15.907 -3.737 333 HD2 PHE 45 2HD PHE 45 2.389 -11.961 -2.557 334 HE1 PHE 45 1HE PHE 45 3.005 -16.828 -2.071 335 HE2 PHE 45 2HE PHE 45 4.025 -12.882 -0.891 336 HZ PHE 45 HZ PHE 45 4.314 -15.304 -0.668 337 HA PRO 46 HA PRO 46 -0.956 -12.171 -8.871 338 HB2 PRO 46 1HB PRO 46 -1.148 -14.285 -10.592 339 HB3 PRO 46 2HB PRO 46 0.096 -13.057 -10.717 340 HG2 PRO 46 1HG PRO 46 0.324 -15.833 -9.725 341 HG3 PRO 46 2HG PRO 46 1.595 -14.748 -10.252 342 HD2 PRO 46 1HD PRO 46 0.922 -15.416 -7.545 343 HD3 PRO 46 2HD PRO 46 2.114 -14.244 -8.070 344 H GLY 47 H GLY 47 -2.928 -11.783 -8.083 345 HA2 GLY 47 1HA GLY 47 -5.156 -12.385 -7.951 346 HA3 GLY 47 2HA GLY 47 -4.727 -14.081 -8.050 347 H SER 48 H SER 48 -3.376 -11.538 -5.856 348 HA SER 48 HA SER 48 -4.381 -13.166 -3.654 349 HB2 SER 48 1HB SER 48 -2.426 -11.958 -2.386 350 HB3 SER 48 2HB SER 48 -2.054 -13.306 -3.441 351 HG SER 48 HG SER 48 -1.257 -10.674 -3.630 352 H ILE 49 H ILE 49 -3.961 -9.918 -5.072 353 HA ILE 49 HA ILE 49 -5.618 -8.845 -2.896 354 HB ILE 49 HB ILE 49 -4.066 -6.985 -4.578 355 HG12 ILE 49 1HG1 ILE 49 -2.522 -8.964 -4.213 356 HG13 ILE 49 2HG1 ILE 49 -1.942 -7.406 -3.660 357 HG21 ILE 49 1HG2 ILE 49 -5.008 -7.227 -1.755 358 HG22 ILE 49 2HG2 ILE 49 -3.585 -6.212 -2.092 359 HG23 ILE 49 3HG2 ILE 49 -5.134 -5.868 -2.898 360 HD11 ILE 49 1HD1 ILE 49 -3.472 -9.151 -1.724 361 HD12 ILE 49 2HD1 ILE 49 -1.769 -9.529 -2.080 362 HD13 ILE 49 3HD1 ILE 49 -2.205 -7.945 -1.394 363 H ALA 50 H ALA 50 -6.580 -6.550 -3.994 364 HA ALA 50 HA ALA 50 -7.953 -7.504 -6.415 365 HB1 ALA 50 1HB ALA 50 -9.900 -7.261 -5.326 366 HB2 ALA 50 2HB ALA 50 -9.004 -6.861 -3.841 367 HB3 ALA 50 3HB ALA 50 -9.503 -5.566 -4.955 368 H LEU 51 H LEU 51 -5.749 -6.348 -7.133 369 HA LEU 51 HA LEU 51 -5.323 -3.687 -6.945 370 HB2 LEU 51 1HB LEU 51 -4.501 -5.833 -8.604 371 HB3 LEU 51 2HB LEU 51 -4.898 -4.494 -9.662 372 HG LEU 51 HG LEU 51 -2.875 -4.522 -7.413 373 HD11 LEU 51 1HD1 LEU 51 -1.964 -5.540 -9.340 374 HD12 LEU 51 2HD1 LEU 51 -2.668 -4.312 -10.420 375 HD13 LEU 51 3HD1 LEU 51 -1.337 -3.875 -9.322 376 HD21 LEU 51 1HD2 LEU 51 -4.340 -2.272 -8.549 377 HD22 LEU 51 2HD2 LEU 51 -3.280 -2.351 -7.122 378 HD23 LEU 51 3HD2 LEU 51 -2.578 -2.106 -8.739 379 H LYS 52 H LYS 52 -7.976 -5.342 -8.574 380 HA LYS 52 HA LYS 52 -8.731 -2.915 -9.977 381 HB2 LYS 52 1HB LYS 52 -10.172 -4.234 -11.223 382 HB3 LYS 52 2HB LYS 52 -8.833 -5.322 -10.916 383 HG2 LYS 52 1HG LYS 52 -10.329 -6.784 -10.037 384 HG3 LYS 52 2HG LYS 52 -10.508 -5.687 -8.682 385 HD2 LYS 52 1HD LYS 52 -12.160 -4.447 -10.465 386 HD3 LYS 52 2HD LYS 52 -12.303 -6.092 -11.050 387 HE2 LYS 52 1HE LYS 52 -12.470 -6.272 -8.208 388 HE3 LYS 52 2HE LYS 52 -13.457 -4.894 -8.651 389 HZ1 LYS 52 1HZ LYS 52 -13.674 -7.489 -10.001 390 HZ2 LYS 52 2HZ LYS 52 -14.586 -7.082 -8.709 391 HZ3 LYS 52 3HZ LYS 52 -14.710 -6.230 -10.097 392 H LYS 53 H LYS 53 -8.595 -2.532 -7.204 393 HA LYS 53 HA LYS 53 -11.288 -1.733 -6.716 394 HB2 LYS 53 1HB LYS 53 -10.837 -4.302 -5.953 395 HB3 LYS 53 2HB LYS 53 -10.330 -3.460 -4.502 396 HG2 LYS 53 1HG LYS 53 -12.460 -2.517 -4.132 397 HG3 LYS 53 2HG LYS 53 -12.922 -2.629 -5.819 398 HD2 LYS 53 1HD LYS 53 -14.178 -4.347 -4.743 399 HD3 LYS 53 2HD LYS 53 -12.863 -5.196 -5.531 400 HE2 LYS 53 1HE LYS 53 -11.574 -5.162 -3.364 401 HE3 LYS 53 2HE LYS 53 -12.934 -4.375 -2.587 402 HZ1 LYS 53 1HZ LYS 53 -12.667 -7.104 -3.451 403 HZ2 LYS 53 2HZ LYS 53 -13.490 -6.488 -2.183 404 HZ3 LYS 53 3HZ LYS 53 -14.140 -6.439 -3.680 405 H VAL 54 H VAL 54 -7.967 -2.319 -5.429 406 HA VAL 54 HA VAL 54 -7.921 -0.548 -3.376 407 HB VAL 54 HB VAL 54 -6.102 -2.022 -3.905 408 HG11 VAL 54 1HG1 VAL 54 -4.719 -1.885 -5.815 409 HG12 VAL 54 2HG1 VAL 54 -6.380 -1.725 -6.434 410 HG13 VAL 54 3HG1 VAL 54 -5.351 -0.283 -6.264 411 HG21 VAL 54 1HG2 VAL 54 -5.592 0.012 -2.607 412 HG22 VAL 54 2HG2 VAL 54 -4.201 -0.518 -3.582 413 HG23 VAL 54 3HG2 VAL 54 -5.185 0.866 -4.114 414 H LYS 55 H LYS 55 -7.218 1.696 -3.161 415 HA LYS 55 HA LYS 55 -7.983 3.251 -5.532 416 HB2 LYS 55 1HB LYS 55 -8.471 3.604 -2.601 417 HB3 LYS 55 2HB LYS 55 -8.265 5.042 -3.580 418 HG2 LYS 55 1HG LYS 55 -10.111 2.876 -4.595 419 HG3 LYS 55 2HG LYS 55 -10.670 3.893 -3.282 420 HD2 LYS 55 1HD LYS 55 -10.310 5.923 -4.620 421 HD3 LYS 55 2HD LYS 55 -9.552 4.997 -5.900 422 HE2 LYS 55 1HE LYS 55 -11.898 3.650 -5.798 423 HE3 LYS 55 2HE LYS 55 -12.464 5.179 -5.154 424 HZ1 LYS 55 1HZ LYS 55 -11.304 4.635 -7.770 425 HZ2 LYS 55 2HZ LYS 55 -12.674 5.443 -7.400 426 HZ3 LYS 55 3HZ LYS 55 -11.220 6.145 -7.153 427 H PHE 56 H PHE 56 -6.072 3.601 -6.609 428 HA PHE 56 HA PHE 56 -3.688 4.166 -5.115 429 HB2 PHE 56 1HB PHE 56 -4.587 3.967 -8.029 430 HB3 PHE 56 2HB PHE 56 -3.001 4.621 -7.672 431 HD1 PHE 56 2HD PHE 56 -4.370 2.000 -5.534 432 HD2 PHE 56 1HD PHE 56 -1.941 2.808 -8.918 433 HE1 PHE 56 2HE PHE 56 -3.436 -0.326 -5.419 434 HE2 PHE 56 1HE PHE 56 -1.006 0.482 -8.803 435 HZ PHE 56 HZ PHE 56 -1.765 -1.058 -7.055 436 H GLN 57 H GLN 57 -6.297 5.960 -6.677 437 HA GLN 57 HA GLN 57 -4.693 8.374 -6.547 438 HB2 GLN 57 1HB GLN 57 -7.122 7.518 -8.081 439 HB3 GLN 57 2HB GLN 57 -7.022 9.215 -7.657 440 HG2 GLN 57 1HG GLN 57 -5.120 9.584 -8.966 441 HG3 GLN 57 2HG GLN 57 -4.548 7.936 -8.800 442 HE21 GLN 57 1HE2 GLN 57 -5.557 10.028 -10.978 443 HE22 GLN 57 2HE2 GLN 57 -6.382 9.025 -12.124 444 H ALA 58 H ALA 58 -5.661 6.977 -4.119 445 HA ALA 58 HA ALA 58 -7.935 8.432 -3.178 446 HB1 ALA 58 1HB ALA 58 -6.759 6.048 -2.548 447 HB2 ALA 58 2HB ALA 58 -6.124 7.084 -1.248 448 HB3 ALA 58 3HB ALA 58 -7.882 6.919 -1.476 449 H LYS 59 H LYS 59 -7.966 10.420 -2.244 450 HA LYS 59 HA LYS 59 -5.355 11.526 -1.477 451 HB2 LYS 59 1HB LYS 59 -7.818 12.878 -2.610 452 HB3 LYS 59 2HB LYS 59 -6.468 13.752 -1.916 453 HG2 LYS 59 1HG LYS 59 -5.438 11.777 -3.776 454 HG3 LYS 59 2HG LYS 59 -6.704 12.690 -4.572 455 HD2 LYS 59 1HD LYS 59 -4.537 14.112 -2.984 456 HD3 LYS 59 2HD LYS 59 -4.247 13.615 -4.639 457 HE2 LYS 59 1HE LYS 59 -6.317 14.891 -5.344 458 HE3 LYS 59 2HE LYS 59 -6.502 15.449 -3.693 459 HZ1 LYS 59 1HZ LYS 59 -4.096 16.223 -4.001 460 HZ2 LYS 59 2HZ LYS 59 -4.403 16.106 -5.601 461 HZ3 LYS 59 3HZ LYS 59 -5.297 17.106 -4.669 462 H LEU 60 H LEU 60 -8.739 10.895 -0.574 463 HA LEU 60 HA LEU 60 -8.506 12.377 1.874 464 HB2 LEU 60 1HB LEU 60 -10.665 10.390 1.268 465 HB3 LEU 60 2HB LEU 60 -10.740 11.858 2.222 466 HG LEU 60 HG LEU 60 -11.814 12.669 0.422 467 HD11 LEU 60 1HD1 LEU 60 -9.341 12.901 -1.197 468 HD12 LEU 60 2HD1 LEU 60 -10.501 14.145 -0.672 469 HD13 LEU 60 3HD1 LEU 60 -9.266 13.545 0.461 470 HD21 LEU 60 1HD2 LEU 60 -12.018 11.662 -1.652 471 HD22 LEU 60 2HD2 LEU 60 -10.367 10.997 -1.614 472 HD23 LEU 60 3HD2 LEU 60 -11.638 10.282 -0.594 473 H GLU 61 H GLU 61 -8.899 11.277 4.026 474 HA GLU 61 HA GLU 61 -7.006 9.171 4.236 475 HB2 GLU 61 1HB GLU 61 -8.024 11.193 5.929 476 HB3 GLU 61 2HB GLU 61 -8.548 9.693 6.670 477 HG2 GLU 61 1HG GLU 61 -6.338 8.906 6.972 478 HG3 GLU 61 2HG GLU 61 -5.689 9.926 5.704 479 H HIS 62 H HIS 62 -10.572 9.562 4.583 480 HA HIS 62 HA HIS 62 -11.175 7.113 5.638 481 HB2 HIS 62 1HB HIS 62 -13.394 7.427 4.670 482 HB3 HIS 62 2HB HIS 62 -12.791 8.905 5.393 483 HD1 HIS 62 1HD HIS 62 -12.596 10.961 3.903 484 HD2 HIS 62 2HD HIS 62 -13.373 7.442 1.755 485 HE1 HIS 62 1HE HIS 62 -13.110 11.683 1.510 486 H GLU 63 H GLU 63 -10.003 7.959 2.424 487 HA GLU 63 HA GLU 63 -10.897 5.569 1.211 488 HB2 GLU 63 1HB GLU 63 -8.647 7.402 0.283 489 HB3 GLU 63 2HB GLU 63 -9.577 6.294 -0.706 490 HG2 GLU 63 1HG GLU 63 -11.407 8.053 0.707 491 HG3 GLU 63 2HG GLU 63 -10.182 9.026 -0.082 492 H TYR 64 H TYR 64 -7.639 6.785 2.287 493 HA TYR 64 HA TYR 64 -6.025 4.763 1.710 494 HB2 TYR 64 1HB TYR 64 -6.423 6.088 4.466 495 HB3 TYR 64 2HB TYR 64 -4.922 5.358 3.930 496 HD1 TYR 64 1HD TYR 64 -5.891 6.703 0.994 497 HD2 TYR 64 2HD TYR 64 -4.747 8.037 4.895 498 HE1 TYR 64 1HE TYR 64 -5.155 8.934 0.023 499 HE2 TYR 64 2HE TYR 64 -4.014 10.263 3.910 500 HH TYR 64 HH TYR 64 -4.740 11.107 0.625 501 H ILE 65 H ILE 65 -8.312 4.767 4.524 502 HA ILE 65 HA ILE 65 -7.588 2.418 5.684 503 HB ILE 65 HB ILE 65 -10.244 3.782 5.352 504 HG12 ILE 65 1HG1 ILE 65 -9.579 3.739 8.018 505 HG13 ILE 65 2HG1 ILE 65 -8.001 3.854 7.263 506 HG21 ILE 65 1HG2 ILE 65 -9.755 1.047 6.259 507 HG22 ILE 65 2HG2 ILE 65 -10.563 2.054 7.485 508 HG23 ILE 65 3HG2 ILE 65 -11.281 1.876 5.866 509 HD11 ILE 65 1HD1 ILE 65 -8.368 6.061 6.929 510 HD12 ILE 65 2HD1 ILE 65 -9.689 5.639 5.813 511 HD13 ILE 65 3HD1 ILE 65 -10.033 5.904 7.539 512 H GLN 66 H GLN 66 -10.302 2.699 3.276 513 HA GLN 66 HA GLN 66 -10.748 0.101 2.893 514 HB2 GLN 66 1HB GLN 66 -10.728 2.352 0.843 515 HB3 GLN 66 2HB GLN 66 -11.367 0.760 0.486 516 HG2 GLN 66 1HG GLN 66 -12.616 1.315 2.897 517 HG3 GLN 66 2HG GLN 66 -12.504 2.917 2.195 518 HE21 GLN 66 1HE2 GLN 66 -14.934 1.909 2.593 519 HE22 GLN 66 2HE2 GLN 66 -15.712 1.452 1.115 520 H ASN 67 H ASN 67 -8.312 2.070 1.043 521 HA ASN 67 HA ASN 67 -7.352 0.301 -0.648 522 HB2 ASN 67 1HB ASN 67 -5.519 1.939 1.179 523 HB3 ASN 67 2HB ASN 67 -5.158 1.417 -0.455 524 HD21 ASN 67 1HD2 ASN 67 -4.759 3.654 -0.874 525 HD22 ASN 67 2HD2 ASN 67 -6.057 4.738 -1.252 526 H PHE 68 H PHE 68 -6.250 0.637 2.815 527 HA PHE 68 HA PHE 68 -4.555 -1.589 2.757 528 HB2 PHE 68 1HB PHE 68 -6.073 0.014 4.883 529 HB3 PHE 68 2HB PHE 68 -5.042 -1.322 5.356 530 HD1 PHE 68 2HD PHE 68 -2.580 -1.225 4.491 531 HD2 PHE 68 1HD PHE 68 -5.161 2.138 4.673 532 HE1 PHE 68 2HE PHE 68 -0.589 0.303 4.474 533 HE2 PHE 68 1HE PHE 68 -3.170 3.667 4.656 534 HZ PHE 68 HZ PHE 68 -0.908 2.731 4.556 535 H LYS 69 H LYS 69 -7.978 -1.157 3.865 536 HA LYS 69 HA LYS 69 -8.474 -3.529 5.018 537 HB2 LYS 69 1HB LYS 69 -10.274 -2.068 3.062 538 HB3 LYS 69 2HB LYS 69 -10.798 -3.283 4.210 539 HG2 LYS 69 1HG LYS 69 -9.442 -1.621 5.906 540 HG3 LYS 69 2HG LYS 69 -9.936 -0.454 4.695 541 HD2 LYS 69 1HD LYS 69 -12.023 -0.420 5.575 542 HD3 LYS 69 2HD LYS 69 -12.215 -2.120 5.193 543 HE2 LYS 69 1HE LYS 69 -12.274 -2.527 7.427 544 HE3 LYS 69 2HE LYS 69 -10.566 -2.136 7.478 545 HZ1 LYS 69 1HZ LYS 69 -11.957 -0.806 8.979 546 HZ2 LYS 69 2HZ LYS 69 -11.093 0.111 7.939 547 HZ3 LYS 69 3HZ LYS 69 -12.691 -0.120 7.692 548 H ILE 70 H ILE 70 -8.322 -2.885 1.465 549 HA ILE 70 HA ILE 70 -8.962 -5.539 0.758 550 HB ILE 70 HB ILE 70 -7.619 -3.291 -0.741 551 HG12 ILE 70 1HG1 ILE 70 -10.467 -4.327 -0.841 552 HG13 ILE 70 2HG1 ILE 70 -9.951 -2.889 0.017 553 HG21 ILE 70 1HG2 ILE 70 -7.514 -4.522 -2.643 554 HG22 ILE 70 2HG2 ILE 70 -7.297 -5.843 -1.469 555 HG23 ILE 70 3HG2 ILE 70 -8.896 -5.550 -2.194 556 HD11 ILE 70 1HD1 ILE 70 -9.794 -1.650 -1.896 557 HD12 ILE 70 2HD1 ILE 70 -9.027 -2.977 -2.800 558 HD13 ILE 70 3HD1 ILE 70 -10.797 -2.934 -2.613 559 H LEU 71 H LEU 71 -5.808 -3.731 0.816 560 HA LEU 71 HA LEU 71 -4.167 -5.780 0.113 561 HB2 LEU 71 1HB LEU 71 -3.452 -3.488 0.373 562 HB3 LEU 71 2HB LEU 71 -3.713 -3.556 2.104 563 HG LEU 71 HG LEU 71 -1.307 -3.764 1.130 564 HD11 LEU 71 1HD1 LEU 71 -2.601 -4.881 3.475 565 HD12 LEU 71 2HD1 LEU 71 -1.153 -5.810 3.019 566 HD13 LEU 71 3HD1 LEU 71 -1.030 -4.059 3.315 567 HD21 LEU 71 1HD2 LEU 71 -1.820 -6.707 1.111 568 HD22 LEU 71 2HD2 LEU 71 -2.229 -5.761 -0.341 569 HD23 LEU 71 3HD2 LEU 71 -0.564 -5.752 0.286 570 H GLN 72 H GLN 72 -5.403 -4.992 3.426 571 HA GLN 72 HA GLN 72 -4.051 -6.858 4.822 572 HB2 GLN 72 1HB GLN 72 -6.120 -5.103 5.335 573 HB3 GLN 72 2HB GLN 72 -6.922 -6.645 5.562 574 HG2 GLN 72 1HG GLN 72 -4.290 -5.856 6.900 575 HG3 GLN 72 2HG GLN 72 -5.862 -5.748 7.668 576 HE21 GLN 72 1HE2 GLN 72 -3.172 -7.566 7.398 577 HE22 GLN 72 2HE2 GLN 72 -3.771 -9.142 7.797 578 H ALA 73 H ALA 73 -7.081 -7.298 2.904 579 HA ALA 73 HA ALA 73 -7.577 -9.932 3.642 580 HB1 ALA 73 1HB ALA 73 -8.533 -7.968 1.755 581 HB2 ALA 73 2HB ALA 73 -8.369 -9.540 0.936 582 HB3 ALA 73 3HB ALA 73 -9.371 -9.400 2.400 583 H GLY 74 H GLY 74 -5.156 -8.484 1.521 584 HA2 GLY 74 1HA GLY 74 -4.586 -10.726 -0.088 585 HA3 GLY 74 2HA GLY 74 -3.527 -9.371 0.250 586 H PHE 75 H PHE 75 -3.779 -9.859 3.266 587 HA PHE 75 HA PHE 75 -1.628 -11.770 3.382 588 HB2 PHE 75 1HB PHE 75 -3.084 -9.803 5.200 589 HB3 PHE 75 2HB PHE 75 -2.089 -11.034 5.952 590 HD1 PHE 75 2HD PHE 75 -0.942 -9.924 2.726 591 HD2 PHE 75 1HD PHE 75 -0.803 -9.086 6.884 592 HE1 PHE 75 2HE PHE 75 1.092 -8.498 2.370 593 HE2 PHE 75 1HE PHE 75 1.232 -7.660 6.528 594 HZ PHE 75 HZ PHE 75 2.155 -7.383 4.276 595 H LYS 76 H LYS 76 -4.974 -11.392 4.729 596 HA LYS 76 HA LYS 76 -4.952 -13.792 6.159 597 HB2 LYS 76 1HB LYS 76 -7.161 -13.333 6.620 598 HB3 LYS 76 2HB LYS 76 -6.552 -11.735 6.240 599 HG2 LYS 76 1HG LYS 76 -8.288 -11.632 4.760 600 HG3 LYS 76 2HG LYS 76 -7.276 -12.621 3.726 601 HD2 LYS 76 1HD LYS 76 -8.576 -14.485 4.018 602 HD3 LYS 76 2HD LYS 76 -8.762 -14.207 5.739 603 HE2 LYS 76 1HE LYS 76 -10.829 -13.326 5.423 604 HE3 LYS 76 2HE LYS 76 -10.190 -12.122 4.321 605 HZ1 LYS 76 1HZ LYS 76 -11.486 -14.595 3.734 606 HZ2 LYS 76 2HZ LYS 76 -11.369 -13.240 2.830 607 HZ3 LYS 76 3HZ LYS 76 -10.154 -14.330 2.827 608 H ARG 77 H ARG 77 -5.212 -13.075 2.737 609 HA ARG 77 HA ARG 77 -6.532 -15.494 2.109 610 HB2 ARG 77 1HB ARG 77 -5.194 -13.271 0.556 611 HB3 ARG 77 2HB ARG 77 -5.501 -14.781 -0.277 612 HG2 ARG 77 1HG ARG 77 -7.929 -14.625 0.503 613 HG3 ARG 77 2HG ARG 77 -7.570 -13.026 1.123 614 HD2 ARG 77 1HD ARG 77 -6.740 -12.428 -1.250 615 HD3 ARG 77 2HD ARG 77 -7.431 -13.948 -1.782 616 HE ARG 77 HE ARG 77 -8.894 -11.535 -1.143 617 HH11 ARG 77 2HH2 ARG 77 -9.120 -15.044 -1.008 618 HH12 ARG 77 1HH2 ARG 77 -10.851 -15.062 -1.067 619 HH21 ARG 77 2HH1 ARG 77 -11.177 -11.559 -1.220 620 HH22 ARG 77 1HH1 ARG 77 -12.029 -13.066 -1.188 621 H MET 78 H MET 78 -3.158 -14.214 1.593 622 HA MET 78 HA MET 78 -2.168 -16.645 0.667 623 HB2 MET 78 1HB MET 78 -1.088 -14.006 1.631 624 HB3 MET 78 2HB MET 78 0.049 -15.339 1.668 625 HG2 MET 78 1HG MET 78 -1.556 -14.465 -0.785 626 HG3 MET 78 2HG MET 78 0.134 -14.100 -0.504 627 HE1 MET 78 1HE MET 78 -0.698 -17.095 -3.240 628 HE2 MET 78 2HE MET 78 -2.133 -16.470 -2.392 629 HE3 MET 78 3HE MET 78 -0.908 -15.342 -3.020 630 H GLY 79 H GLY 79 -1.765 -14.998 3.889 631 HA2 GLY 79 1HA GLY 79 -2.264 -16.641 5.755 632 HA3 GLY 79 2HA GLY 79 -1.007 -17.618 5.021 633 H VAL 80 H VAL 80 -1.234 -14.022 5.471 634 HA VAL 80 HA VAL 80 1.403 -14.137 6.717 635 HB VAL 80 HB VAL 80 -0.222 -11.842 5.601 636 HG11 VAL 80 1HG1 VAL 80 1.569 -10.396 6.036 637 HG12 VAL 80 2HG1 VAL 80 1.446 -11.369 7.521 638 HG13 VAL 80 3HG1 VAL 80 2.708 -11.734 6.321 639 HG21 VAL 80 1HG2 VAL 80 0.437 -13.017 3.717 640 HG22 VAL 80 2HG2 VAL 80 1.809 -11.905 3.940 641 HG23 VAL 80 3HG2 VAL 80 1.941 -13.599 4.470 642 H ASP 81 H ASP 81 1.324 -14.467 8.887 643 HA ASP 81 HA ASP 81 -0.943 -13.761 10.378 644 HB2 ASP 81 1HB ASP 81 0.803 -14.187 12.330 645 HB3 ASP 81 2HB ASP 81 0.231 -15.523 11.351 646 H LYS 82 H LYS 82 -0.859 -11.379 9.529 647 HA LYS 82 HA LYS 82 0.576 -9.797 11.503 648 HB2 LYS 82 1HB LYS 82 2.167 -9.692 9.771 649 HB3 LYS 82 2HB LYS 82 0.947 -9.581 8.518 650 HG2 LYS 82 1HG LYS 82 1.740 -7.353 8.728 651 HG3 LYS 82 2HG LYS 82 0.235 -7.342 9.624 652 HD2 LYS 82 1HD LYS 82 1.346 -7.387 11.740 653 HD3 LYS 82 2HD LYS 82 2.854 -7.941 11.040 654 HE2 LYS 82 1HE LYS 82 3.151 -5.755 9.889 655 HE3 LYS 82 2HE LYS 82 1.612 -5.197 10.515 656 HZ1 LYS 82 1HZ LYS 82 3.358 -4.422 11.897 657 HZ2 LYS 82 2HZ LYS 82 2.519 -5.532 12.750 658 HZ3 LYS 82 3HZ LYS 82 3.970 -5.921 12.110 659 H ILE 83 H ILE 83 -0.568 -7.979 12.167 660 HA ILE 83 HA ILE 83 -3.194 -7.688 10.883 661 HB ILE 83 HB ILE 83 -2.313 -7.378 13.746 662 HG12 ILE 83 1HG1 ILE 83 -3.824 -9.374 12.190 663 HG13 ILE 83 2HG1 ILE 83 -2.904 -9.553 13.670 664 HG21 ILE 83 1HG2 ILE 83 -3.757 -5.463 13.026 665 HG22 ILE 83 2HG2 ILE 83 -5.032 -6.643 12.637 666 HG23 ILE 83 3HG2 ILE 83 -4.452 -6.478 14.312 667 HD11 ILE 83 1HD1 ILE 83 -5.229 -9.944 14.218 668 HD12 ILE 83 2HD1 ILE 83 -4.793 -8.358 14.900 669 HD13 ILE 83 3HD1 ILE 83 -5.733 -8.450 13.391 670 H ILE 84 H ILE 84 -2.690 -6.143 9.320 671 HA ILE 84 HA ILE 84 -0.974 -4.019 9.657 672 HB ILE 84 HB ILE 84 -3.441 -4.324 7.946 673 HG12 ILE 84 1HG1 ILE 84 -0.492 -4.780 7.417 674 HG13 ILE 84 2HG1 ILE 84 -1.750 -5.997 7.490 675 HG21 ILE 84 1HG2 ILE 84 -3.053 -2.355 6.891 676 HG22 ILE 84 2HG2 ILE 84 -2.420 -1.913 8.494 677 HG23 ILE 84 3HG2 ILE 84 -1.300 -2.400 7.199 678 HD11 ILE 84 1HD1 ILE 84 -2.842 -4.344 5.612 679 HD12 ILE 84 2HD1 ILE 84 -1.111 -4.054 5.315 680 HD13 ILE 84 3HD1 ILE 84 -1.768 -5.705 5.210 681 HA PRO 85 HA PRO 85 -3.099 -1.447 12.413 682 HB2 PRO 85 1HB PRO 85 -1.603 0.825 12.145 683 HB3 PRO 85 2HB PRO 85 -1.129 -0.521 13.163 684 HG2 PRO 85 1HG PRO 85 -0.057 0.275 10.525 685 HG3 PRO 85 2HG PRO 85 0.662 -0.774 11.731 686 HD2 PRO 85 1HD PRO 85 -0.627 -1.585 9.300 687 HD3 PRO 85 2HD PRO 85 -0.012 -2.635 10.561 688 H VAL 86 H VAL 86 -2.226 0.208 9.411 689 HA VAL 86 HA VAL 86 -3.438 1.445 8.039 690 HB VAL 86 HB VAL 86 -5.767 0.070 9.392 691 HG11 VAL 86 1HG1 VAL 86 -7.062 0.695 7.381 692 HG12 VAL 86 2HG1 VAL 86 -6.522 2.119 8.303 693 HG13 VAL 86 3HG1 VAL 86 -5.681 1.658 6.804 694 HG21 VAL 86 1HG2 VAL 86 -4.108 -0.582 6.945 695 HG22 VAL 86 2HG2 VAL 86 -4.423 -1.593 8.377 696 HG23 VAL 86 3HG2 VAL 86 -5.730 -1.266 7.214 697 H ASP 87 H ASP 87 -5.657 1.445 10.910 698 HA ASP 87 HA ASP 87 -6.464 3.914 10.915 699 HB2 ASP 87 1HB ASP 87 -6.380 1.934 12.805 700 HB3 ASP 87 2HB ASP 87 -5.314 3.100 13.562 701 H LYS 88 H LYS 88 -3.199 2.806 12.006 702 HA LYS 88 HA LYS 88 -2.375 5.451 12.736 703 HB2 LYS 88 1HB LYS 88 -0.860 2.836 12.480 704 HB3 LYS 88 2HB LYS 88 -0.166 4.331 13.075 705 HG2 LYS 88 1HG LYS 88 -0.872 3.619 15.127 706 HG3 LYS 88 2HG LYS 88 -2.451 4.180 14.616 707 HD2 LYS 88 1HD LYS 88 -2.658 1.772 13.519 708 HD3 LYS 88 2HD LYS 88 -1.363 1.351 14.622 709 HE2 LYS 88 1HE LYS 88 -3.505 2.891 15.952 710 HE3 LYS 88 2HE LYS 88 -4.102 1.407 15.237 711 HZ1 LYS 88 1HZ LYS 88 -2.276 1.760 17.417 712 HZ2 LYS 88 2HZ LYS 88 -3.327 0.545 17.124 713 HZ3 LYS 88 3HZ LYS 88 -1.872 0.563 16.382 714 H LEU 89 H LEU 89 -1.690 3.125 10.043 715 HA LEU 89 HA LEU 89 0.106 4.693 8.670 716 HB2 LEU 89 1HB LEU 89 -1.962 2.811 7.526 717 HB3 LEU 89 2HB LEU 89 -0.507 3.366 6.721 718 HG LEU 89 HG LEU 89 -0.552 1.695 9.250 719 HD11 LEU 89 1HD1 LEU 89 -0.052 0.872 6.377 720 HD12 LEU 89 2HD1 LEU 89 0.196 -0.160 7.806 721 HD13 LEU 89 3HD1 LEU 89 -1.438 0.413 7.394 722 HD21 LEU 89 1HD2 LEU 89 1.482 2.755 9.372 723 HD22 LEU 89 2HD2 LEU 89 1.906 1.323 8.404 724 HD23 LEU 89 3HD2 LEU 89 1.646 2.893 7.605 725 H VAL 90 H VAL 90 -3.480 4.459 8.104 726 HA VAL 90 HA VAL 90 -3.615 6.483 6.240 727 HB VAL 90 HB VAL 90 -5.988 6.599 6.862 728 HG11 VAL 90 1HG1 VAL 90 -6.432 4.639 5.831 729 HG12 VAL 90 2HG1 VAL 90 -4.660 4.509 5.716 730 HG13 VAL 90 3HG1 VAL 90 -5.530 3.683 7.031 731 HG21 VAL 90 1HG2 VAL 90 -4.974 5.437 9.366 732 HG22 VAL 90 2HG2 VAL 90 -6.459 6.366 9.048 733 HG23 VAL 90 3HG2 VAL 90 -6.417 4.616 8.723 734 H LYS 91 H LYS 91 -3.241 6.601 9.763 735 HA LYS 91 HA LYS 91 -3.968 9.360 9.947 736 HB2 LYS 91 1HB LYS 91 -2.876 7.281 11.820 737 HB3 LYS 91 2HB LYS 91 -2.804 8.971 12.273 738 HG2 LYS 91 1HG LYS 91 -5.375 7.644 11.309 739 HG3 LYS 91 2HG LYS 91 -4.914 7.682 12.999 740 HD2 LYS 91 1HD LYS 91 -4.774 10.319 11.609 741 HD3 LYS 91 2HD LYS 91 -6.387 9.646 11.741 742 HE2 LYS 91 1HE LYS 91 -6.257 9.529 14.150 743 HE3 LYS 91 2HE LYS 91 -4.524 9.787 14.147 744 HZ1 LYS 91 1HZ LYS 91 -6.196 11.723 14.561 745 HZ2 LYS 91 2HZ LYS 91 -4.785 11.984 13.780 746 HZ3 LYS 91 3HZ LYS 91 -6.172 11.833 12.931 747 H GLY 92 H GLY 92 -1.151 7.528 9.011 748 HA2 GLY 92 1HA GLY 92 0.917 8.151 8.394 749 HA3 GLY 92 2HA GLY 92 0.269 9.759 8.140 750 H LYS 93 H LYS 93 1.528 7.530 10.693 751 HA LYS 93 HA LYS 93 2.280 9.913 12.233 752 HB2 LYS 93 1HB LYS 93 1.603 7.088 13.061 753 HB3 LYS 93 2HB LYS 93 2.489 8.169 14.117 754 HG2 LYS 93 1HG LYS 93 0.483 9.856 13.437 755 HG3 LYS 93 2HG LYS 93 -0.364 8.345 13.177 756 HD2 LYS 93 1HD LYS 93 1.208 8.626 15.731 757 HD3 LYS 93 2HD LYS 93 -0.276 9.548 15.596 758 HE2 LYS 93 1HE LYS 93 -0.792 6.870 14.628 759 HE3 LYS 93 2HE LYS 93 0.027 6.741 16.171 760 HZ1 LYS 93 1HZ LYS 93 -2.122 6.998 16.804 761 HZ2 LYS 93 2HZ LYS 93 -1.661 8.565 16.827 762 HZ3 LYS 93 3HZ LYS 93 -2.525 7.987 15.568 763 H PHE 94 H PHE 94 3.623 8.660 9.803 764 HA PHE 94 HA PHE 94 5.656 8.151 9.121 765 HB2 PHE 94 1HB PHE 94 6.287 10.238 10.246 766 HB3 PHE 94 2HB PHE 94 6.172 9.494 11.828 767 HD1 PHE 94 1HD PHE 94 8.103 9.169 8.650 768 HD2 PHE 94 2HD PHE 94 8.119 8.827 12.880 769 HE1 PHE 94 1HE PHE 94 10.566 8.687 8.603 770 HE2 PHE 94 2HE PHE 94 10.582 8.346 12.832 771 HZ PHE 94 HZ PHE 94 11.776 8.281 10.694 772 H GLN 95 H GLN 95 6.539 7.754 12.588 773 HA GLN 95 HA GLN 95 7.931 5.491 12.294 774 HB2 GLN 95 1HB GLN 95 6.721 6.955 14.483 775 HB3 GLN 95 2HB GLN 95 6.566 5.238 14.797 776 HG2 GLN 95 1HG GLN 95 8.965 4.890 14.557 777 HG3 GLN 95 2HG GLN 95 9.200 6.513 13.937 778 HE21 GLN 95 1HE2 GLN 95 10.314 7.600 15.372 779 HE22 GLN 95 2HE2 GLN 95 9.996 7.721 17.070 780 H ASP 96 H ASP 96 4.450 5.596 13.366 781 HA ASP 96 HA ASP 96 3.948 2.989 13.497 782 HB2 ASP 96 1HB ASP 96 2.295 5.313 12.478 783 HB3 ASP 96 2HB ASP 96 1.610 3.701 12.430 784 H ASN 97 H ASN 97 4.646 4.931 10.628 785 HA ASN 97 HA ASN 97 3.623 2.925 8.847 786 HB2 ASN 97 1HB ASN 97 4.338 5.739 8.689 787 HB3 ASN 97 2HB ASN 97 5.248 4.871 7.469 788 HD21 ASN 97 1HD2 ASN 97 2.235 6.118 8.427 789 HD22 ASN 97 2HD2 ASN 97 1.260 5.564 7.108 790 H PHE 98 H PHE 98 6.770 4.544 9.709 791 HA PHE 98 HA PHE 98 8.397 3.016 8.063 792 HB2 PHE 98 1HB PHE 98 8.828 5.176 9.466 793 HB3 PHE 98 2HB PHE 98 8.999 4.133 10.864 794 HD1 PHE 98 2HD PHE 98 10.682 2.035 10.308 795 HD2 PHE 98 1HD PHE 98 10.802 5.891 8.541 796 HE1 PHE 98 2HE PHE 98 13.112 1.712 9.769 797 HE2 PHE 98 1HE PHE 98 13.232 5.568 8.002 798 HZ PHE 98 HZ PHE 98 14.358 3.482 8.622 799 H GLU 99 H GLU 99 7.183 2.447 11.403 800 HA GLU 99 HA GLU 99 8.840 0.181 11.759 801 HB2 GLU 99 1HB GLU 99 6.339 0.989 13.306 802 HB3 GLU 99 2HB GLU 99 7.573 -0.132 13.847 803 HG2 GLU 99 1HG GLU 99 9.274 1.749 13.681 804 HG3 GLU 99 2HG GLU 99 7.964 2.846 13.291 805 H PHE 100 H PHE 100 6.280 0.707 9.704 806 HA PHE 100 HA PHE 100 5.263 -2.025 10.032 807 HB2 PHE 100 1HB PHE 100 3.507 -0.331 10.178 808 HB3 PHE 100 2HB PHE 100 4.208 0.606 8.873 809 HD1 PHE 100 1HD PHE 100 4.115 -0.354 6.520 810 HD2 PHE 100 2HD PHE 100 1.869 -1.960 9.742 811 HE1 PHE 100 1HE PHE 100 2.577 -1.479 4.887 812 HE2 PHE 100 2HE PHE 100 0.331 -3.086 8.109 813 HZ PHE 100 HZ PHE 100 0.703 -2.832 5.701 814 H VAL 101 H VAL 101 6.536 0.419 7.711 815 HA VAL 101 HA VAL 101 6.337 -1.314 5.473 816 HB VAL 101 HB VAL 101 6.297 1.068 5.209 817 HG11 VAL 101 1HG1 VAL 101 8.276 1.094 7.195 818 HG12 VAL 101 2HG1 VAL 101 9.083 1.707 5.732 819 HG13 VAL 101 3HG1 VAL 101 7.602 2.495 6.327 820 HG21 VAL 101 1HG2 VAL 101 8.940 0.079 4.094 821 HG22 VAL 101 2HG2 VAL 101 7.349 -0.360 3.428 822 HG23 VAL 101 3HG2 VAL 101 7.878 1.339 3.422 823 H GLN 102 H GLN 102 8.797 -0.607 7.972 824 HA GLN 102 HA GLN 102 10.910 -1.843 6.658 825 HB2 GLN 102 1HB GLN 102 11.939 -1.936 8.953 826 HB3 GLN 102 2HB GLN 102 11.320 -0.353 8.526 827 HG2 GLN 102 1HG GLN 102 10.258 -0.463 10.551 828 HG3 GLN 102 2HG GLN 102 9.085 -1.443 9.695 829 HE21 GLN 102 1HE2 GLN 102 9.706 -1.547 12.464 830 HE22 GLN 102 2HE2 GLN 102 10.314 -3.124 12.843 831 H TRP 103 H TRP 103 8.342 -3.065 8.859 832 HA TRP 103 HA TRP 103 9.465 -5.647 9.140 833 HB2 TRP 103 1HB TRP 103 7.980 -4.902 10.811 834 HB3 TRP 103 2HB TRP 103 6.743 -4.468 9.649 835 HD1 TRP 103 HD TRP 103 8.066 -7.484 11.583 836 HE1 TRP 103 1HE TRP 103 6.496 -9.587 11.310 837 HE3 TRP 103 3HE TRP 103 5.163 -5.496 7.912 838 HZ2 TRP 103 2HZ TRP 103 4.267 -10.171 9.626 839 HZ3 TRP 103 3HZ TRP 103 3.311 -6.899 7.008 840 HH2 TRP 103 HH TRP 103 2.843 -9.161 7.807 841 H PHE 104 H PHE 104 6.728 -4.289 7.160 842 HA PHE 104 HA PHE 104 5.956 -6.470 5.809 843 HB2 PHE 104 1HB PHE 104 6.035 -3.563 5.497 844 HB3 PHE 104 2HB PHE 104 6.314 -4.285 3.924 845 HD1 PHE 104 2HD PHE 104 3.960 -4.365 6.803 846 HD2 PHE 104 1HD PHE 104 4.515 -5.053 2.652 847 HE1 PHE 104 2HE PHE 104 1.492 -4.733 6.534 848 HE2 PHE 104 1HE PHE 104 2.046 -5.421 2.384 849 HZ PHE 104 HZ PHE 104 0.565 -5.257 4.328 850 H LYS 105 H LYS 105 8.835 -4.415 5.038 851 HA LYS 105 HA LYS 105 9.524 -5.787 2.701 852 HB2 LYS 105 1HB LYS 105 10.357 -3.567 3.183 853 HB3 LYS 105 2HB LYS 105 11.170 -4.128 4.630 854 HG2 LYS 105 1HG LYS 105 12.894 -5.136 3.450 855 HG3 LYS 105 2HG LYS 105 11.862 -5.585 2.107 856 HD2 LYS 105 1HD LYS 105 12.246 -3.621 0.978 857 HD3 LYS 105 2HD LYS 105 12.175 -2.649 2.434 858 HE2 LYS 105 1HE LYS 105 14.448 -2.505 1.659 859 HE3 LYS 105 2HE LYS 105 14.486 -3.567 3.053 860 HZ1 LYS 105 1HZ LYS 105 15.621 -4.782 1.541 861 HZ2 LYS 105 2HZ LYS 105 14.125 -5.362 1.234 862 HZ3 LYS 105 3HZ LYS 105 14.784 -4.237 0.249 863 H LYS 106 H LYS 106 10.825 -6.082 6.083 864 HA LYS 106 HA LYS 106 12.589 -8.090 5.695 865 HB2 LYS 106 1HB LYS 106 10.725 -7.569 8.023 866 HB3 LYS 106 2HB LYS 106 12.008 -8.761 8.075 867 HG2 LYS 106 1HG LYS 106 12.511 -5.850 7.319 868 HG3 LYS 106 2HG LYS 106 12.590 -6.418 8.975 869 HD2 LYS 106 1HD LYS 106 14.748 -7.001 8.584 870 HD3 LYS 106 2HD LYS 106 14.147 -8.289 7.559 871 HE2 LYS 106 1HE LYS 106 15.176 -7.273 5.809 872 HE3 LYS 106 2HE LYS 106 13.985 -5.992 5.926 873 HZ1 LYS 106 1HZ LYS 106 16.206 -5.874 7.770 874 HZ2 LYS 106 2HZ LYS 106 16.536 -5.555 6.203 875 HZ3 LYS 106 3HZ LYS 106 15.425 -4.663 7.001 876 H PHE 107 H PHE 107 9.023 -8.438 6.241 877 HA PHE 107 HA PHE 107 9.030 -11.227 6.098 878 HB2 PHE 107 1HB PHE 107 7.234 -9.534 6.921 879 HB3 PHE 107 2HB PHE 107 6.870 -9.214 5.236 880 HD1 PHE 107 1HD PHE 107 6.886 -11.886 7.804 881 HD2 PHE 107 2HD PHE 107 5.421 -10.622 4.027 882 HE1 PHE 107 1HE PHE 107 5.270 -13.807 7.788 883 HE2 PHE 107 2HE PHE 107 3.805 -12.543 4.011 884 HZ PHE 107 HZ PHE 107 3.749 -14.112 5.892 885 H PHE 108 H PHE 108 8.109 -8.750 3.593 886 HA PHE 108 HA PHE 108 7.502 -10.384 1.543 887 HB2 PHE 108 1HB PHE 108 8.711 -7.682 1.982 888 HB3 PHE 108 2HB PHE 108 9.074 -8.338 0.398 889 HD1 PHE 108 2HD PHE 108 5.998 -8.510 2.512 890 HD2 PHE 108 1HD PHE 108 7.741 -7.279 -1.156 891 HE1 PHE 108 2HE PHE 108 3.744 -7.772 1.689 892 HE2 PHE 108 1HE PHE 108 5.488 -6.541 -1.979 893 HZ PHE 108 HZ PHE 108 3.516 -6.796 -0.547 894 H ASP 109 H ASP 109 10.816 -9.403 2.603 895 HA ASP 109 HA ASP 109 12.182 -10.490 0.498 896 HB2 ASP 109 1HB ASP 109 12.898 -9.130 2.706 897 HB3 ASP 109 2HB ASP 109 13.285 -10.732 3.299 898 H SER 110 H SER 110 10.998 -11.919 3.602 899 HA SER 110 HA SER 110 10.719 -13.960 4.282 900 HB2 SER 110 1HB SER 110 9.420 -14.420 2.313 901 HB3 SER 110 2HB SER 110 10.846 -14.539 1.301 902 HG SER 110 HG SER 110 9.755 -16.431 3.131 903 H GLY 111 H GLY 111 12.788 -14.972 1.498 904 HA2 GLY 111 1HA GLY 111 15.246 -14.960 2.876 905 HA3 GLY 111 2HA GLY 111 14.507 -16.540 3.042 906 HA PRO 112 HA PRO 112 15.810 -15.650 -1.455 907 HB2 PRO 112 1HB PRO 112 18.266 -14.465 -1.643 908 HB3 PRO 112 2HB PRO 112 16.761 -13.584 -1.814 909 HG2 PRO 112 1HG PRO 112 18.633 -13.627 0.473 910 HG3 PRO 112 2HG PRO 112 17.378 -12.461 0.103 911 HD2 PRO 112 1HD PRO 112 17.262 -14.539 2.077 912 HD3 PRO 112 2HD PRO 112 15.967 -13.448 1.626 913 H SER 113 H SER 113 15.887 -17.871 -0.037 914 HA SER 113 HA SER 113 16.934 -19.757 0.303 915 HB2 SER 113 1HB SER 113 17.263 -19.012 -2.480 916 HB3 SER 113 2HB SER 113 18.652 -19.956 -1.979 917 HG SER 113 HG SER 113 16.018 -20.757 -2.390 918 H SER 114 H SER 114 18.232 -19.209 2.148 919 HA SER 114 HA SER 114 20.882 -18.217 1.593 920 HB2 SER 114 1HB SER 114 19.338 -17.406 3.512 921 HB3 SER 114 2HB SER 114 19.722 -18.914 4.316 922 HG SER 114 HG SER 114 22.092 -18.066 3.657 923 H GLY 115 H GLY 115 19.358 -20.931 3.493 924 HA2 GLY 115 1HA GLY 115 21.612 -22.646 2.672 925 HA3 GLY 115 2HA GLY 115 21.172 -22.508 4.362 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 20.479 17.320 -6.999 2 HA2 GLY 1 1HA GLY 1 22.246 17.456 -5.467 3 HA3 GLY 1 2HA GLY 1 21.524 16.186 -4.500 4 H SER 2 H SER 2 22.340 14.138 -4.698 5 HA SER 2 HA SER 2 23.286 13.253 -7.231 6 HB2 SER 2 1HB SER 2 25.587 12.766 -6.538 7 HB3 SER 2 2HB SER 2 25.276 14.484 -6.390 8 HG SER 2 HG SER 2 25.956 14.257 -4.376 9 H SER 3 H SER 3 21.459 11.789 -6.729 10 HA SER 3 HA SER 3 21.726 10.134 -4.424 11 HB2 SER 3 1HB SER 3 19.714 10.608 -6.559 12 HB3 SER 3 2HB SER 3 19.774 8.952 -5.989 13 HG SER 3 HG SER 3 19.848 10.859 -3.928 14 H GLY 4 H GLY 4 22.479 7.993 -4.354 15 HA2 GLY 4 1HA GLY 4 22.657 6.004 -5.996 16 HA3 GLY 4 2HA GLY 4 23.808 7.051 -6.802 17 H SER 5 H SER 5 25.576 8.047 -5.293 18 HA SER 5 HA SER 5 26.800 5.851 -4.003 19 HB2 SER 5 1HB SER 5 27.575 8.433 -5.038 20 HB3 SER 5 2HB SER 5 28.156 8.313 -3.389 21 HG SER 5 HG SER 5 28.792 6.677 -5.656 22 H SER 6 H SER 6 27.469 5.754 -1.725 23 HA SER 6 HA SER 6 27.213 5.979 0.420 24 HB2 SER 6 1HB SER 6 27.205 8.630 -0.466 25 HB3 SER 6 2HB SER 6 25.763 8.550 0.527 26 HG SER 6 HG SER 6 28.498 8.084 1.274 27 H GLY 7 H GLY 7 25.565 5.707 2.135 28 HA2 GLY 7 1HA GLY 7 22.884 5.233 0.986 29 HA3 GLY 7 2HA GLY 7 23.609 4.326 2.298 30 H GLN 8 H GLN 8 21.238 5.133 3.034 31 HA GLN 8 HA GLN 8 21.667 6.801 5.165 32 HB2 GLN 8 1HB GLN 8 20.375 8.832 4.505 33 HB3 GLN 8 2HB GLN 8 21.860 8.660 3.593 34 HG2 GLN 8 1HG GLN 8 19.919 7.223 2.100 35 HG3 GLN 8 2HG GLN 8 19.094 8.675 2.631 36 HE21 GLN 8 1HE2 GLN 8 19.250 10.344 1.358 37 HE22 GLN 8 2HE2 GLN 8 20.539 10.721 0.264 38 H ARG 9 H ARG 9 20.124 6.186 6.629 39 HA ARG 9 HA ARG 9 18.269 4.343 6.108 40 HB2 ARG 9 1HB ARG 9 18.785 6.287 8.262 41 HB3 ARG 9 2HB ARG 9 17.078 5.907 8.145 42 HG2 ARG 9 1HG ARG 9 18.258 3.394 7.882 43 HG3 ARG 9 2HG ARG 9 19.336 4.190 9.011 44 HD2 ARG 9 1HD ARG 9 16.733 4.892 9.894 45 HD3 ARG 9 2HD ARG 9 16.606 3.204 9.443 46 HE ARG 9 HE ARG 9 18.964 3.295 10.900 47 HH11 ARG 9 2HH2 ARG 9 15.653 4.302 11.535 48 HH12 ARG 9 1HH2 ARG 9 15.769 4.050 13.245 49 HH21 ARG 9 2HH1 ARG 9 19.118 2.962 13.156 50 HH22 ARG 9 1HH1 ARG 9 17.753 3.283 14.173 51 H ARG 10 H ARG 10 15.716 4.710 6.509 52 HA ARG 10 HA ARG 10 13.820 5.547 5.872 53 HB2 ARG 10 1HB ARG 10 15.464 7.935 6.026 54 HB3 ARG 10 2HB ARG 10 14.411 8.083 4.633 55 HG2 ARG 10 1HG ARG 10 12.978 6.998 6.966 56 HG3 ARG 10 2HG ARG 10 13.706 8.552 7.321 57 HD2 ARG 10 1HD ARG 10 11.815 7.931 5.002 58 HD3 ARG 10 2HD ARG 10 11.439 8.890 6.419 59 HE ARG 10 HE ARG 10 12.907 9.779 4.072 60 HH11 ARG 10 2HH2 ARG 10 12.561 10.276 7.538 61 HH12 ARG 10 1HH2 ARG 10 13.146 11.906 7.492 62 HH21 ARG 10 2HH1 ARG 10 13.679 11.928 4.010 63 HH22 ARG 10 1HH1 ARG 10 13.786 12.852 5.472 64 H HIS 11 H HIS 11 16.099 7.138 3.511 65 HA HIS 11 HA HIS 11 14.582 6.668 1.282 66 HB2 HIS 11 1HB HIS 11 17.103 7.755 1.898 67 HB3 HIS 11 2HB HIS 11 17.420 6.524 0.692 68 HD1 HIS 11 1HD HIS 11 17.253 7.340 -1.657 69 HD2 HIS 11 2HD HIS 11 14.799 9.533 0.943 70 HE1 HIS 11 1HE HIS 11 16.171 9.169 -3.068 71 H ASP 12 H ASP 12 16.390 4.422 3.238 72 HA ASP 12 HA ASP 12 17.115 2.558 1.378 73 HB2 ASP 12 1HB ASP 12 17.526 2.652 3.944 74 HB3 ASP 12 2HB ASP 12 15.962 1.881 4.116 75 H MET 13 H MET 13 14.030 2.973 3.255 76 HA MET 13 HA MET 13 12.811 0.736 2.031 77 HB2 MET 13 1HB MET 13 11.491 3.101 3.471 78 HB3 MET 13 2HB MET 13 10.820 1.492 3.287 79 HG2 MET 13 1HG MET 13 13.277 2.268 4.927 80 HG3 MET 13 2HG MET 13 11.739 1.700 5.547 81 HE1 MET 13 1HE MET 13 11.223 -1.004 3.287 82 HE2 MET 13 2HE MET 13 11.490 -1.903 4.800 83 HE3 MET 13 3HE MET 13 10.649 -0.335 4.833 84 H LEU 14 H LEU 14 12.413 4.335 1.722 85 HA LEU 14 HA LEU 14 10.414 4.432 -0.098 86 HB2 LEU 14 1HB LEU 14 12.814 6.201 -0.400 87 HB3 LEU 14 2HB LEU 14 11.117 6.588 -0.600 88 HG LEU 14 HG LEU 14 12.679 6.247 1.956 89 HD11 LEU 14 1HD1 LEU 14 11.092 8.475 0.683 90 HD12 LEU 14 2HD1 LEU 14 11.513 8.478 2.413 91 HD13 LEU 14 3HD1 LEU 14 12.800 8.457 1.183 92 HD21 LEU 14 1HD2 LEU 14 10.934 5.366 3.004 93 HD22 LEU 14 2HD2 LEU 14 10.012 6.845 2.637 94 HD23 LEU 14 3HD2 LEU 14 9.943 5.455 1.527 95 H ALA 15 H ALA 15 13.890 3.699 -0.688 96 HA ALA 15 HA ALA 15 13.696 3.668 -3.485 97 HB1 ALA 15 1HB ALA 15 15.579 2.309 -1.518 98 HB2 ALA 15 2HB ALA 15 15.827 2.330 -3.281 99 HB3 ALA 15 3HB ALA 15 15.831 3.855 -2.363 100 H TRP 16 H TRP 16 13.205 1.164 -0.939 101 HA TRP 16 HA TRP 16 13.079 -1.090 -2.435 102 HB2 TRP 16 1HB TRP 16 12.824 -0.872 0.039 103 HB3 TRP 16 2HB TRP 16 11.164 -0.371 -0.211 104 HD1 TRP 16 HD TRP 16 13.239 -3.446 -1.495 105 HE1 TRP 16 1HE TRP 16 11.836 -5.666 -1.238 106 HE3 TRP 16 3HE TRP 16 9.116 -1.231 0.493 107 HZ2 TRP 16 2HZ TRP 16 9.218 -6.234 -0.254 108 HZ3 TRP 16 3HZ TRP 16 7.180 -2.691 1.074 109 HH2 TRP 16 HH TRP 16 7.186 -5.111 0.731 110 H ILE 17 H ILE 17 10.043 0.646 -1.461 111 HA ILE 17 HA ILE 17 8.435 -0.462 -3.365 112 HB ILE 17 HB ILE 17 8.351 2.198 -1.961 113 HG12 ILE 17 1HG1 ILE 17 6.230 0.571 -1.162 114 HG13 ILE 17 2HG1 ILE 17 7.573 -0.542 -1.327 115 HG21 ILE 17 1HG2 ILE 17 5.972 2.339 -2.664 116 HG22 ILE 17 2HG2 ILE 17 7.126 2.529 -4.005 117 HG23 ILE 17 3HG2 ILE 17 6.259 0.990 -3.788 118 HD11 ILE 17 1HD1 ILE 17 8.958 0.758 0.183 119 HD12 ILE 17 2HD1 ILE 17 7.786 2.098 0.185 120 HD13 ILE 17 3HD1 ILE 17 7.370 0.551 0.961 121 H ASN 18 H ASN 18 10.135 2.745 -3.584 122 HA ASN 18 HA ASN 18 9.393 3.537 -5.983 123 HB2 ASN 18 1HB ASN 18 12.111 3.571 -4.630 124 HB3 ASN 18 2HB ASN 18 11.968 4.228 -6.249 125 HD21 ASN 18 1HD2 ASN 18 12.737 6.029 -4.651 126 HD22 ASN 18 2HD2 ASN 18 11.502 7.111 -4.099 127 H GLU 19 H GLU 19 11.919 1.045 -5.238 128 HA GLU 19 HA GLU 19 12.146 0.494 -8.072 129 HB2 GLU 19 1HB GLU 19 13.895 0.200 -5.713 130 HB3 GLU 19 2HB GLU 19 13.898 -1.225 -6.733 131 HG2 GLU 19 1HG GLU 19 14.009 1.007 -8.511 132 HG3 GLU 19 2HG GLU 19 15.130 1.372 -7.215 133 H SER 20 H SER 20 9.711 -0.257 -7.628 134 HA SER 20 HA SER 20 9.859 -3.099 -7.626 135 HB2 SER 20 1HB SER 20 8.051 -1.767 -5.564 136 HB3 SER 20 2HB SER 20 8.247 -3.488 -5.827 137 HG SER 20 HG SER 20 9.611 -2.006 -4.118 138 H LEU 21 H LEU 21 7.828 -0.111 -7.528 139 HA LEU 21 HA LEU 21 6.255 -1.267 -9.716 140 HB2 LEU 21 1HB LEU 21 5.003 0.509 -7.652 141 HB3 LEU 21 2HB LEU 21 4.236 -0.561 -8.808 142 HG LEU 21 HG LEU 21 5.977 -1.865 -6.783 143 HD11 LEU 21 1HD1 LEU 21 5.082 -0.605 -5.122 144 HD12 LEU 21 2HD1 LEU 21 3.627 -0.189 -6.060 145 HD13 LEU 21 3HD1 LEU 21 3.763 -1.788 -5.289 146 HD21 LEU 21 1HD2 LEU 21 3.787 -3.322 -6.761 147 HD22 LEU 21 2HD2 LEU 21 3.457 -2.463 -8.285 148 HD23 LEU 21 3HD2 LEU 21 4.944 -3.425 -8.110 149 H GLN 22 H GLN 22 8.571 0.882 -8.939 150 HA GLN 22 HA GLN 22 9.354 2.647 -9.940 151 HB2 GLN 22 1HB GLN 22 7.663 1.555 -11.922 152 HB3 GLN 22 2HB GLN 22 7.256 3.259 -11.891 153 HG2 GLN 22 1HG GLN 22 10.172 2.444 -11.882 154 HG3 GLN 22 2HG GLN 22 9.276 2.384 -13.387 155 HE21 GLN 22 1HE2 GLN 22 9.004 4.165 -14.528 156 HE22 GLN 22 2HE2 GLN 22 9.355 5.782 -14.017 157 H LEU 23 H LEU 23 8.707 3.577 -7.773 158 HA LEU 23 HA LEU 23 6.518 5.508 -8.085 159 HB2 LEU 23 1HB LEU 23 7.715 4.443 -5.527 160 HB3 LEU 23 2HB LEU 23 6.325 5.498 -5.683 161 HG LEU 23 HG LEU 23 5.521 3.315 -5.195 162 HD11 LEU 23 1HD1 LEU 23 5.121 3.686 -8.173 163 HD12 LEU 23 2HD1 LEU 23 4.031 2.883 -7.018 164 HD13 LEU 23 3HD1 LEU 23 4.292 4.642 -6.921 165 HD21 LEU 23 1HD2 LEU 23 6.621 1.981 -7.606 166 HD22 LEU 23 2HD2 LEU 23 7.771 2.330 -6.292 167 HD23 LEU 23 3HD2 LEU 23 6.321 1.348 -5.969 168 H ASN 24 H ASN 24 7.422 7.069 -5.762 169 HA ASN 24 HA ASN 24 10.056 7.866 -6.122 170 HB2 ASN 24 1HB ASN 24 8.746 8.748 -8.280 171 HB3 ASN 24 2HB ASN 24 8.147 9.977 -7.184 172 HD21 ASN 24 1HD2 ASN 24 10.833 8.742 -8.946 173 HD22 ASN 24 2HD2 ASN 24 11.980 9.994 -8.605 174 H LEU 25 H LEU 25 8.696 7.263 -3.842 175 HA LEU 25 HA LEU 25 7.405 9.596 -2.758 176 HB2 LEU 25 1HB LEU 25 8.155 6.998 -1.415 177 HB3 LEU 25 2HB LEU 25 7.061 8.222 -0.800 178 HG LEU 25 HG LEU 25 6.602 6.564 -3.297 179 HD11 LEU 25 1HD1 LEU 25 4.771 5.533 -1.895 180 HD12 LEU 25 2HD1 LEU 25 6.436 5.098 -1.442 181 HD13 LEU 25 3HD1 LEU 25 5.536 6.296 -0.480 182 HD21 LEU 25 1HD2 LEU 25 4.171 7.590 -2.553 183 HD22 LEU 25 2HD2 LEU 25 5.273 8.944 -2.205 184 HD23 LEU 25 3HD2 LEU 25 5.219 8.237 -3.838 185 H THR 26 H THR 26 8.177 10.832 -0.949 186 HA THR 26 HA THR 26 11.108 10.690 -0.672 187 HB THR 26 HB THR 26 10.908 13.183 -0.288 188 HG1 THR 26 1HG THR 26 8.780 14.039 -0.511 189 HG21 THR 26 1HG2 THR 26 9.557 13.476 -2.707 190 HG22 THR 26 2HG2 THR 26 11.303 13.163 -2.558 191 HG23 THR 26 3HG2 THR 26 10.176 11.811 -2.823 192 H LYS 27 H LYS 27 8.028 10.419 0.892 193 HA LYS 27 HA LYS 27 9.452 10.316 3.450 194 HB2 LYS 27 1HB LYS 27 6.780 11.662 2.952 195 HB3 LYS 27 2HB LYS 27 7.463 11.347 4.534 196 HG2 LYS 27 1HG LYS 27 9.583 12.597 3.226 197 HG3 LYS 27 2HG LYS 27 8.196 13.422 2.543 198 HD2 LYS 27 1HD LYS 27 8.133 13.015 5.510 199 HD3 LYS 27 2HD LYS 27 9.355 14.124 4.922 200 HE2 LYS 27 1HE LYS 27 7.740 15.717 4.815 201 HE3 LYS 27 2HE LYS 27 7.050 14.839 3.465 202 HZ1 LYS 27 1HZ LYS 27 5.374 14.208 4.728 203 HZ2 LYS 27 2HZ LYS 27 6.339 13.656 5.925 204 HZ3 LYS 27 3HZ LYS 27 5.898 15.228 5.890 205 H ILE 28 H ILE 28 8.777 8.661 4.857 206 HA ILE 28 HA ILE 28 7.698 6.406 3.601 207 HB ILE 28 HB ILE 28 8.488 7.178 6.367 208 HG12 ILE 28 1HG1 ILE 28 10.067 6.334 4.570 209 HG13 ILE 28 2HG1 ILE 28 10.122 5.504 6.113 210 HG21 ILE 28 1HG2 ILE 28 6.793 5.975 7.233 211 HG22 ILE 28 2HG2 ILE 28 6.478 5.110 5.709 212 HG23 ILE 28 3HG2 ILE 28 7.809 4.589 6.770 213 HD11 ILE 28 1HD1 ILE 28 9.213 4.510 3.457 214 HD12 ILE 28 2HD1 ILE 28 9.941 3.622 4.816 215 HD13 ILE 28 3HD1 ILE 28 8.205 4.012 4.837 216 H GLU 29 H GLU 29 6.260 9.130 5.352 217 HA GLU 29 HA GLU 29 3.860 7.911 6.001 218 HB2 GLU 29 1HB GLU 29 4.856 10.720 5.703 219 HB3 GLU 29 2HB GLU 29 3.117 10.509 5.688 220 HG2 GLU 29 1HG GLU 29 3.602 8.959 7.816 221 HG3 GLU 29 2HG GLU 29 5.083 9.892 7.900 222 H GLN 30 H GLN 30 5.218 8.646 2.940 223 HA GLN 30 HA GLN 30 2.935 9.417 1.557 224 HB2 GLN 30 1HB GLN 30 5.532 8.084 0.714 225 HB3 GLN 30 2HB GLN 30 4.284 8.468 -0.455 226 HG2 GLN 30 1HG GLN 30 5.257 10.600 1.473 227 HG3 GLN 30 2HG GLN 30 6.192 10.228 0.039 228 HE21 GLN 30 1HE2 GLN 30 5.782 12.360 -0.666 229 HE22 GLN 30 2HE2 GLN 30 4.287 12.801 -1.422 230 H LEU 31 H LEU 31 3.817 6.418 3.020 231 HA LEU 31 HA LEU 31 2.167 4.867 1.192 232 HB2 LEU 31 1HB LEU 31 3.494 3.728 3.611 233 HB3 LEU 31 2HB LEU 31 3.150 2.982 2.063 234 HG LEU 31 HG LEU 31 5.045 5.201 1.831 235 HD11 LEU 31 1HD1 LEU 31 6.269 2.841 3.179 236 HD12 LEU 31 2HD1 LEU 31 6.774 4.548 3.159 237 HD13 LEU 31 3HD1 LEU 31 5.419 4.033 4.192 238 HD21 LEU 31 1HD2 LEU 31 5.855 3.954 0.151 239 HD22 LEU 31 2HD2 LEU 31 5.875 2.464 1.124 240 HD23 LEU 31 3HD2 LEU 31 4.361 3.008 0.361 241 H CYS 32 H CYS 32 1.027 7.046 2.864 242 HA CYS 32 HA CYS 32 -0.382 5.622 4.937 243 HB2 CYS 32 1HB CYS 32 -1.306 7.766 5.548 244 HB3 CYS 32 2HB CYS 32 0.421 7.941 5.307 245 HG CYS 32 HG CYS 32 -1.941 9.498 4.076 246 H SER 33 H SER 33 -0.548 5.675 1.639 247 HA SER 33 HA SER 33 -3.401 6.040 1.470 248 HB2 SER 33 1HB SER 33 -2.802 5.369 -1.033 249 HB3 SER 33 2HB SER 33 -2.459 6.977 -0.429 250 HG SER 33 HG SER 33 -0.552 4.796 -0.419 251 H GLY 34 H GLY 34 -0.894 3.509 1.481 252 HA2 GLY 34 1HA GLY 34 -1.068 1.279 1.759 253 HA3 GLY 34 2HA GLY 34 -2.785 1.468 2.053 254 H ALA 35 H ALA 35 -0.678 2.197 -0.824 255 HA ALA 35 HA ALA 35 -2.461 0.446 -2.375 256 HB1 ALA 35 1HB ALA 35 -2.060 3.219 -2.629 257 HB2 ALA 35 2HB ALA 35 -1.092 2.493 -3.934 258 HB3 ALA 35 3HB ALA 35 -2.832 2.137 -3.812 259 H ALA 36 H ALA 36 0.844 1.933 -2.161 260 HA ALA 36 HA ALA 36 2.182 0.557 -4.023 261 HB1 ALA 36 1HB ALA 36 3.493 2.038 -2.830 262 HB2 ALA 36 2HB ALA 36 2.847 1.514 -1.256 263 HB3 ALA 36 3HB ALA 36 4.042 0.507 -2.108 264 H TYR 37 H TYR 37 1.646 -0.657 -0.633 265 HA TYR 37 HA TYR 37 2.774 -3.112 -0.881 266 HB2 TYR 37 1HB TYR 37 0.047 -2.472 0.394 267 HB3 TYR 37 2HB TYR 37 1.195 -3.667 0.963 268 HD1 TYR 37 1HD TYR 37 3.545 -2.745 1.711 269 HD2 TYR 37 2HD TYR 37 0.020 -0.346 1.362 270 HE1 TYR 37 1HE TYR 37 4.558 -1.016 3.275 271 HE2 TYR 37 2HE TYR 37 1.045 1.375 2.927 272 HH TYR 37 HH TYR 37 4.343 0.943 4.170 273 H CYS 38 H CYS 38 -0.674 -2.255 -1.650 274 HA CYS 38 HA CYS 38 -1.546 -4.721 -2.366 275 HB2 CYS 38 1HB CYS 38 -2.315 -1.941 -3.033 276 HB3 CYS 38 2HB CYS 38 -2.859 -3.149 -4.181 277 HG CYS 38 HG CYS 38 -3.737 -2.463 -1.189 278 H GLN 39 H GLN 39 -0.360 -2.176 -4.696 279 HA GLN 39 HA GLN 39 -0.222 -3.742 -6.884 280 HB2 GLN 39 1HB GLN 39 0.638 -1.157 -6.135 281 HB3 GLN 39 2HB GLN 39 2.077 -1.931 -6.768 282 HG2 GLN 39 1HG GLN 39 0.358 -2.727 -8.692 283 HG3 GLN 39 2HG GLN 39 -0.517 -1.302 -8.168 284 HE21 GLN 39 1HE2 GLN 39 0.797 -1.816 -10.686 285 HE22 GLN 39 2HE2 GLN 39 1.993 -0.586 -10.926 286 H PHE 40 H PHE 40 2.281 -3.317 -4.311 287 HA PHE 40 HA PHE 40 4.287 -4.792 -5.512 288 HB2 PHE 40 1HB PHE 40 3.778 -3.416 -3.128 289 HB3 PHE 40 2HB PHE 40 3.842 -5.070 -2.552 290 HD1 PHE 40 2HD PHE 40 5.933 -6.052 -4.568 291 HD2 PHE 40 1HD PHE 40 5.749 -2.616 -2.084 292 HE1 PHE 40 2HE PHE 40 8.440 -5.943 -4.533 293 HE2 PHE 40 1HE PHE 40 8.257 -2.508 -2.049 294 HZ PHE 40 HZ PHE 40 9.572 -4.172 -3.274 295 H MET 41 H MET 41 1.429 -5.819 -3.597 296 HA MET 41 HA MET 41 2.306 -8.456 -3.264 297 HB2 MET 41 1HB MET 41 -0.208 -6.857 -2.913 298 HB3 MET 41 2HB MET 41 -0.468 -8.574 -3.151 299 HG2 MET 41 1HG MET 41 1.399 -7.378 -1.045 300 HG3 MET 41 2HG MET 41 -0.225 -7.952 -0.725 301 HE1 MET 41 1HE MET 41 -0.668 -11.061 -1.657 302 HE2 MET 41 2HE MET 41 -0.024 -11.391 -0.030 303 HE3 MET 41 3HE MET 41 -0.952 -9.902 -0.336 304 H ASP 42 H ASP 42 -0.394 -7.180 -5.354 305 HA ASP 42 HA ASP 42 -1.033 -9.312 -6.725 306 HB2 ASP 42 1HB ASP 42 -1.379 -6.603 -7.080 307 HB3 ASP 42 2HB ASP 42 -0.425 -6.984 -8.500 308 H MET 43 H MET 43 2.027 -7.490 -6.965 309 HA MET 43 HA MET 43 2.860 -8.747 -9.362 310 HB2 MET 43 1HB MET 43 3.663 -6.563 -7.722 311 HB3 MET 43 2HB MET 43 5.006 -7.685 -7.631 312 HG2 MET 43 1HG MET 43 5.022 -7.803 -10.164 313 HG3 MET 43 2HG MET 43 3.760 -6.588 -10.199 314 HE1 MET 43 1HE MET 43 6.849 -7.564 -8.437 315 HE2 MET 43 2HE MET 43 8.024 -6.258 -8.722 316 HE3 MET 43 3HE MET 43 6.868 -6.137 -7.373 317 H LEU 44 H LEU 44 3.763 -9.063 -5.857 318 HA LEU 44 HA LEU 44 5.510 -11.244 -6.363 319 HB2 LEU 44 1HB LEU 44 4.286 -10.165 -3.822 320 HB3 LEU 44 2HB LEU 44 5.491 -11.435 -3.879 321 HG LEU 44 HG LEU 44 5.931 -8.646 -4.975 322 HD11 LEU 44 1HD1 LEU 44 5.604 -8.361 -2.644 323 HD12 LEU 44 2HD1 LEU 44 6.570 -9.805 -2.256 324 HD13 LEU 44 3HD1 LEU 44 7.364 -8.354 -2.915 325 HD21 LEU 44 1HD2 LEU 44 7.963 -10.789 -4.309 326 HD22 LEU 44 2HD2 LEU 44 7.315 -10.493 -5.940 327 HD23 LEU 44 3HD2 LEU 44 8.247 -9.224 -5.109 328 H PHE 45 H PHE 45 2.197 -10.950 -4.907 329 HA PHE 45 HA PHE 45 1.902 -13.827 -5.386 330 HB2 PHE 45 1HB PHE 45 0.448 -11.784 -3.601 331 HB3 PHE 45 2HB PHE 45 -0.015 -13.471 -3.703 332 HD1 PHE 45 2HD PHE 45 2.786 -11.236 -2.742 333 HD2 PHE 45 1HD PHE 45 1.039 -15.084 -2.363 334 HE1 PHE 45 2HE PHE 45 4.412 -11.793 -0.914 335 HE2 PHE 45 1HE PHE 45 2.666 -15.642 -0.535 336 HZ PHE 45 HZ PHE 45 4.333 -13.990 0.168 337 HA PRO 46 HA PRO 46 -0.852 -12.474 -8.536 338 HB2 PRO 46 1HB PRO 46 -1.137 -14.892 -9.776 339 HB3 PRO 46 2HB PRO 46 0.159 -13.772 -10.147 340 HG2 PRO 46 1HG PRO 46 0.268 -16.284 -8.592 341 HG3 PRO 46 2HG PRO 46 1.584 -15.389 -9.326 342 HD2 PRO 46 1HD PRO 46 0.886 -15.444 -6.544 343 HD3 PRO 46 2HD PRO 46 2.127 -14.460 -7.294 344 H GLY 47 H GLY 47 -2.949 -12.009 -8.356 345 HA2 GLY 47 1HA GLY 47 -5.104 -12.283 -7.780 346 HA3 GLY 47 2HA GLY 47 -4.862 -14.015 -7.892 347 H SER 48 H SER 48 -3.571 -11.401 -5.708 348 HA SER 48 HA SER 48 -4.501 -13.063 -3.497 349 HB2 SER 48 1HB SER 48 -2.536 -11.795 -2.255 350 HB3 SER 48 2HB SER 48 -2.198 -13.217 -3.223 351 HG SER 48 HG SER 48 -2.165 -10.715 -4.576 352 H ILE 49 H ILE 49 -4.014 -9.807 -4.898 353 HA ILE 49 HA ILE 49 -5.665 -8.713 -2.729 354 HB ILE 49 HB ILE 49 -4.153 -6.880 -4.477 355 HG12 ILE 49 1HG1 ILE 49 -2.586 -8.828 -4.140 356 HG13 ILE 49 2HG1 ILE 49 -2.008 -7.277 -3.565 357 HG21 ILE 49 1HG2 ILE 49 -5.039 -5.648 -2.819 358 HG22 ILE 49 2HG2 ILE 49 -5.174 -7.034 -1.710 359 HG23 ILE 49 3HG2 ILE 49 -3.614 -6.199 -1.905 360 HD11 ILE 49 1HD1 ILE 49 -1.915 -9.512 -2.046 361 HD12 ILE 49 2HD1 ILE 49 -2.120 -7.892 -1.338 362 HD13 ILE 49 3HD1 ILE 49 -3.537 -8.939 -1.591 363 H ALA 50 H ALA 50 -6.423 -6.320 -4.053 364 HA ALA 50 HA ALA 50 -7.884 -7.325 -6.388 365 HB1 ALA 50 1HB ALA 50 -9.813 -7.237 -5.242 366 HB2 ALA 50 2HB ALA 50 -8.957 -6.671 -3.789 367 HB3 ALA 50 3HB ALA 50 -9.553 -5.495 -4.985 368 H LEU 51 H LEU 51 -5.718 -6.095 -7.074 369 HA LEU 51 HA LEU 51 -5.378 -3.420 -6.810 370 HB2 LEU 51 1HB LEU 51 -4.519 -5.509 -8.579 371 HB3 LEU 51 2HB LEU 51 -4.822 -4.056 -9.510 372 HG LEU 51 HG LEU 51 -2.907 -4.398 -7.194 373 HD11 LEU 51 1HD1 LEU 51 -1.590 -5.019 -8.898 374 HD12 LEU 51 2HD1 LEU 51 -2.672 -4.322 -10.127 375 HD13 LEU 51 3HD1 LEU 51 -1.518 -3.279 -9.263 376 HD21 LEU 51 1HD2 LEU 51 -2.579 -1.831 -8.317 377 HD22 LEU 51 2HD2 LEU 51 -4.317 -2.018 -7.981 378 HD23 LEU 51 3HD2 LEU 51 -3.127 -2.254 -6.678 379 H LYS 52 H LYS 52 -7.961 -5.126 -8.478 380 HA LYS 52 HA LYS 52 -8.760 -2.719 -9.888 381 HB2 LYS 52 1HB LYS 52 -10.111 -4.069 -11.176 382 HB3 LYS 52 2HB LYS 52 -8.799 -5.164 -10.791 383 HG2 LYS 52 1HG LYS 52 -10.364 -6.592 -9.973 384 HG3 LYS 52 2HG LYS 52 -10.554 -5.489 -8.625 385 HD2 LYS 52 1HD LYS 52 -12.147 -4.200 -10.387 386 HD3 LYS 52 2HD LYS 52 -12.271 -5.806 -11.078 387 HE2 LYS 52 1HE LYS 52 -12.636 -5.462 -8.091 388 HE3 LYS 52 2HE LYS 52 -13.952 -5.028 -9.163 389 HZ1 LYS 52 1HZ LYS 52 -13.856 -7.235 -10.093 390 HZ2 LYS 52 2HZ LYS 52 -12.611 -7.643 -9.118 391 HZ3 LYS 52 3HZ LYS 52 -14.078 -7.318 -8.477 392 H LYS 53 H LYS 53 -8.652 -2.406 -7.077 393 HA LYS 53 HA LYS 53 -11.371 -1.645 -6.624 394 HB2 LYS 53 1HB LYS 53 -10.985 -4.187 -5.915 395 HB3 LYS 53 2HB LYS 53 -10.316 -3.441 -4.478 396 HG2 LYS 53 1HG LYS 53 -12.361 -2.386 -3.906 397 HG3 LYS 53 2HG LYS 53 -12.983 -2.474 -5.542 398 HD2 LYS 53 1HD LYS 53 -14.188 -4.158 -4.364 399 HD3 LYS 53 2HD LYS 53 -12.974 -5.045 -5.264 400 HE2 LYS 53 1HE LYS 53 -11.500 -5.056 -3.219 401 HE3 LYS 53 2HE LYS 53 -12.760 -4.227 -2.327 402 HZ1 LYS 53 1HZ LYS 53 -12.595 -6.963 -3.068 403 HZ2 LYS 53 2HZ LYS 53 -13.482 -6.258 -1.893 404 HZ3 LYS 53 3HZ LYS 53 -14.050 -6.313 -3.423 405 H VAL 54 H VAL 54 -8.057 -2.171 -5.287 406 HA VAL 54 HA VAL 54 -8.098 -0.374 -3.243 407 HB VAL 54 HB VAL 54 -6.255 -1.842 -3.655 408 HG11 VAL 54 1HG1 VAL 54 -6.503 -1.512 -6.243 409 HG12 VAL 54 2HG1 VAL 54 -5.299 -0.223 -6.002 410 HG13 VAL 54 3HG1 VAL 54 -4.912 -1.899 -5.544 411 HG21 VAL 54 1HG2 VAL 54 -4.335 -0.248 -3.470 412 HG22 VAL 54 2HG2 VAL 54 -5.454 1.077 -3.870 413 HG23 VAL 54 3HG2 VAL 54 -5.694 0.128 -2.384 414 H LYS 55 H LYS 55 -7.279 1.872 -3.075 415 HA LYS 55 HA LYS 55 -7.953 3.382 -5.505 416 HB2 LYS 55 1HB LYS 55 -8.716 3.748 -2.643 417 HB3 LYS 55 2HB LYS 55 -8.384 5.194 -3.576 418 HG2 LYS 55 1HG LYS 55 -10.069 3.192 -4.996 419 HG3 LYS 55 2HG LYS 55 -10.806 3.850 -3.549 420 HD2 LYS 55 1HD LYS 55 -11.367 5.695 -4.740 421 HD3 LYS 55 2HD LYS 55 -9.664 6.095 -4.842 422 HE2 LYS 55 1HE LYS 55 -9.611 4.413 -6.864 423 HE3 LYS 55 2HE LYS 55 -11.357 4.568 -6.852 424 HZ1 LYS 55 1HZ LYS 55 -9.449 6.790 -7.101 425 HZ2 LYS 55 2HZ LYS 55 -10.369 6.174 -8.302 426 HZ3 LYS 55 3HZ LYS 55 -11.073 6.955 -7.053 427 H PHE 56 H PHE 56 -5.801 3.356 -6.311 428 HA PHE 56 HA PHE 56 -3.613 4.068 -4.682 429 HB2 PHE 56 1HB PHE 56 -4.293 3.818 -7.643 430 HB3 PHE 56 2HB PHE 56 -2.758 4.545 -7.210 431 HD1 PHE 56 2HD PHE 56 -4.447 1.750 -5.448 432 HD2 PHE 56 1HD PHE 56 -1.255 2.918 -7.989 433 HE1 PHE 56 2HE PHE 56 -3.430 -0.533 -5.220 434 HE2 PHE 56 1HE PHE 56 -0.238 0.635 -7.760 435 HZ PHE 56 HZ PHE 56 -1.338 -1.063 -6.379 436 H GLN 57 H GLN 57 -5.953 5.891 -6.665 437 HA GLN 57 HA GLN 57 -4.370 8.283 -6.293 438 HB2 GLN 57 1HB GLN 57 -6.763 7.573 -8.011 439 HB3 GLN 57 2HB GLN 57 -6.346 9.252 -7.732 440 HG2 GLN 57 1HG GLN 57 -3.970 8.692 -8.515 441 HG3 GLN 57 2HG GLN 57 -4.565 7.111 -8.980 442 HE21 GLN 57 1HE2 GLN 57 -4.641 7.082 -11.099 443 HE22 GLN 57 2HE2 GLN 57 -5.401 8.246 -12.131 444 H ALA 58 H ALA 58 -5.393 7.145 -3.900 445 HA ALA 58 HA ALA 58 -7.828 8.577 -3.272 446 HB1 ALA 58 1HB ALA 58 -6.194 6.381 -2.134 447 HB2 ALA 58 2HB ALA 58 -6.939 7.461 -0.931 448 HB3 ALA 58 3HB ALA 58 -7.958 6.620 -2.123 449 H LYS 59 H LYS 59 -7.937 10.522 -2.226 450 HA LYS 59 HA LYS 59 -5.369 11.614 -1.309 451 HB2 LYS 59 1HB LYS 59 -7.451 12.674 -3.049 452 HB3 LYS 59 2HB LYS 59 -7.150 13.739 -1.691 453 HG2 LYS 59 1HG LYS 59 -4.812 12.562 -3.225 454 HG3 LYS 59 2HG LYS 59 -5.669 13.946 -3.876 455 HD2 LYS 59 1HD LYS 59 -4.457 13.837 -1.073 456 HD3 LYS 59 2HD LYS 59 -3.672 14.568 -2.459 457 HE2 LYS 59 1HE LYS 59 -4.924 16.466 -2.294 458 HE3 LYS 59 2HE LYS 59 -6.420 15.562 -2.165 459 HZ1 LYS 59 1HZ LYS 59 -5.823 16.863 -0.179 460 HZ2 LYS 59 2HZ LYS 59 -6.058 15.277 0.136 461 HZ3 LYS 59 3HZ LYS 59 -4.542 15.881 0.069 462 H LEU 60 H LEU 60 -8.770 10.910 -0.570 463 HA LEU 60 HA LEU 60 -8.673 12.352 1.915 464 HB2 LEU 60 1HB LEU 60 -10.778 10.359 1.154 465 HB3 LEU 60 2HB LEU 60 -10.915 11.793 2.152 466 HG LEU 60 HG LEU 60 -11.914 12.653 0.333 467 HD11 LEU 60 1HD1 LEU 60 -9.406 13.578 0.528 468 HD12 LEU 60 2HD1 LEU 60 -9.351 12.953 -1.138 469 HD13 LEU 60 3HD1 LEU 60 -10.571 14.167 -0.683 470 HD21 LEU 60 1HD2 LEU 60 -10.395 11.180 -1.769 471 HD22 LEU 60 2HD2 LEU 60 -11.528 10.259 -0.751 472 HD23 LEU 60 3HD2 LEU 60 -12.112 11.647 -1.701 473 H GLU 61 H GLU 61 -8.977 11.291 4.036 474 HA GLU 61 HA GLU 61 -7.106 9.226 4.317 475 HB2 GLU 61 1HB GLU 61 -8.404 11.106 5.991 476 HB3 GLU 61 2HB GLU 61 -8.866 9.541 6.630 477 HG2 GLU 61 1HG GLU 61 -6.646 8.921 7.114 478 HG3 GLU 61 2HG GLU 61 -5.968 9.990 5.902 479 H HIS 62 H HIS 62 -10.709 9.362 4.788 480 HA HIS 62 HA HIS 62 -11.235 6.869 5.564 481 HB2 HIS 62 1HB HIS 62 -13.398 7.094 4.587 482 HB3 HIS 62 2HB HIS 62 -12.879 8.680 5.124 483 HD1 HIS 62 1HD HIS 62 -13.900 6.778 2.098 484 HD2 HIS 62 2HD HIS 62 -12.165 10.493 2.982 485 HE1 HIS 62 1HE HIS 62 -14.082 8.176 -0.028 486 H GLU 63 H GLU 63 -10.210 7.897 2.289 487 HA GLU 63 HA GLU 63 -10.748 5.478 1.040 488 HB2 GLU 63 1HB GLU 63 -8.505 7.390 0.286 489 HB3 GLU 63 2HB GLU 63 -9.401 6.325 -0.779 490 HG2 GLU 63 1HG GLU 63 -11.257 8.051 0.662 491 HG3 GLU 63 2HG GLU 63 -10.019 9.029 -0.102 492 H TYR 64 H TYR 64 -7.665 6.808 2.434 493 HA TYR 64 HA TYR 64 -5.942 4.818 1.890 494 HB2 TYR 64 1HB TYR 64 -6.454 6.193 4.602 495 HB3 TYR 64 2HB TYR 64 -4.913 5.527 4.098 496 HD1 TYR 64 1HD TYR 64 -5.941 6.790 1.133 497 HD2 TYR 64 2HD TYR 64 -4.844 8.214 5.016 498 HE1 TYR 64 1HE TYR 64 -5.298 9.039 0.135 499 HE2 TYR 64 2HE TYR 64 -4.206 10.458 4.005 500 HH TYR 64 HH TYR 64 -3.936 11.598 2.186 501 H ILE 65 H ILE 65 -8.433 4.821 4.509 502 HA ILE 65 HA ILE 65 -7.638 2.498 5.770 503 HB ILE 65 HB ILE 65 -10.181 4.025 5.503 504 HG12 ILE 65 1HG1 ILE 65 -9.538 3.435 8.178 505 HG13 ILE 65 2HG1 ILE 65 -8.002 3.744 7.395 506 HG21 ILE 65 1HG2 ILE 65 -11.150 1.891 5.435 507 HG22 ILE 65 2HG2 ILE 65 -9.959 1.213 6.572 508 HG23 ILE 65 3HG2 ILE 65 -11.196 2.354 7.154 509 HD11 ILE 65 1HD1 ILE 65 -8.555 5.947 6.842 510 HD12 ILE 65 2HD1 ILE 65 -10.302 5.608 6.807 511 HD13 ILE 65 3HD1 ILE 65 -9.454 5.752 8.365 512 H GLN 66 H GLN 66 -10.388 2.763 3.405 513 HA GLN 66 HA GLN 66 -10.840 0.169 3.039 514 HB2 GLN 66 1HB GLN 66 -10.846 2.414 0.984 515 HB3 GLN 66 2HB GLN 66 -11.475 0.818 0.627 516 HG2 GLN 66 1HG GLN 66 -12.702 1.376 3.059 517 HG3 GLN 66 2HG GLN 66 -12.627 2.966 2.325 518 HE21 GLN 66 1HE2 GLN 66 -14.126 -0.086 2.372 519 HE22 GLN 66 2HE2 GLN 66 -15.230 0.115 1.052 520 H ASN 67 H ASN 67 -8.393 2.119 1.189 521 HA ASN 67 HA ASN 67 -7.468 0.321 -0.512 522 HB2 ASN 67 1HB ASN 67 -5.734 2.110 1.274 523 HB3 ASN 67 2HB ASN 67 -5.202 1.399 -0.237 524 HD21 ASN 67 1HD2 ASN 67 -4.796 3.502 -1.003 525 HD22 ASN 67 2HD2 ASN 67 -6.061 4.523 -1.603 526 H PHE 68 H PHE 68 -6.380 0.704 2.947 527 HA PHE 68 HA PHE 68 -4.653 -1.506 2.906 528 HB2 PHE 68 1HB PHE 68 -6.135 0.181 4.980 529 HB3 PHE 68 2HB PHE 68 -5.195 -1.197 5.518 530 HD1 PHE 68 2HD PHE 68 -2.728 -1.242 4.370 531 HD2 PHE 68 1HD PHE 68 -5.079 2.219 5.080 532 HE1 PHE 68 2HE PHE 68 -0.653 0.170 4.362 533 HE2 PHE 68 1HE PHE 68 -3.004 3.630 5.073 534 HZ PHE 68 HZ PHE 68 -0.815 2.589 4.714 535 H LYS 69 H LYS 69 -8.087 -1.077 3.957 536 HA LYS 69 HA LYS 69 -8.555 -3.438 5.175 537 HB2 LYS 69 1HB LYS 69 -10.386 -2.027 3.211 538 HB3 LYS 69 2HB LYS 69 -10.884 -3.206 4.407 539 HG2 LYS 69 1HG LYS 69 -9.505 -1.484 6.024 540 HG3 LYS 69 2HG LYS 69 -10.028 -0.359 4.786 541 HD2 LYS 69 1HD LYS 69 -12.176 -0.393 5.533 542 HD3 LYS 69 2HD LYS 69 -12.225 -2.145 5.529 543 HE2 LYS 69 1HE LYS 69 -10.597 -1.677 7.714 544 HE3 LYS 69 2HE LYS 69 -11.643 -0.272 7.775 545 HZ1 LYS 69 1HZ LYS 69 -13.111 -2.620 7.237 546 HZ2 LYS 69 2HZ LYS 69 -12.259 -2.774 8.622 547 HZ3 LYS 69 3HZ LYS 69 -13.307 -1.534 8.440 548 H ILE 70 H ILE 70 -8.332 -2.827 1.629 549 HA ILE 70 HA ILE 70 -9.004 -5.489 0.939 550 HB ILE 70 HB ILE 70 -7.665 -3.249 -0.574 551 HG12 ILE 70 1HG1 ILE 70 -10.501 -4.308 -0.730 552 HG13 ILE 70 2HG1 ILE 70 -10.023 -2.897 0.193 553 HG21 ILE 70 1HG2 ILE 70 -8.524 -4.741 -2.564 554 HG22 ILE 70 2HG2 ILE 70 -6.935 -5.034 -1.817 555 HG23 ILE 70 3HG2 ILE 70 -8.326 -6.055 -1.380 556 HD11 ILE 70 1HD1 ILE 70 -9.942 -1.590 -1.663 557 HD12 ILE 70 2HD1 ILE 70 -8.979 -2.792 -2.554 558 HD13 ILE 70 3HD1 ILE 70 -10.753 -2.928 -2.512 559 H LEU 71 H LEU 71 -5.857 -3.674 1.031 560 HA LEU 71 HA LEU 71 -4.211 -5.733 0.338 561 HB2 LEU 71 1HB LEU 71 -3.514 -3.424 0.578 562 HB3 LEU 71 2HB LEU 71 -3.750 -3.496 2.313 563 HG LEU 71 HG LEU 71 -1.357 -3.700 1.289 564 HD11 LEU 71 1HD1 LEU 71 -1.508 -5.830 3.258 565 HD12 LEU 71 2HD1 LEU 71 -0.784 -4.208 3.377 566 HD13 LEU 71 3HD1 LEU 71 -2.517 -4.436 3.713 567 HD21 LEU 71 1HD2 LEU 71 -1.941 -6.642 1.289 568 HD22 LEU 71 2HD2 LEU 71 -2.244 -5.675 -0.175 569 HD23 LEU 71 3HD2 LEU 71 -0.609 -5.741 0.526 570 H GLN 72 H GLN 72 -5.275 -4.836 3.694 571 HA GLN 72 HA GLN 72 -3.979 -6.730 5.068 572 HB2 GLN 72 1HB GLN 72 -6.015 -4.922 5.595 573 HB3 GLN 72 2HB GLN 72 -6.812 -6.452 5.903 574 HG2 GLN 72 1HG GLN 72 -4.070 -5.810 7.067 575 HG3 GLN 72 2HG GLN 72 -5.550 -5.350 7.885 576 HE21 GLN 72 1HE2 GLN 72 -3.236 -7.684 7.560 577 HE22 GLN 72 2HE2 GLN 72 -4.055 -9.058 8.225 578 H ALA 73 H ALA 73 -6.900 -7.138 3.033 579 HA ALA 73 HA ALA 73 -7.534 -9.734 3.891 580 HB1 ALA 73 1HB ALA 73 -9.083 -9.699 2.128 581 HB2 ALA 73 2HB ALA 73 -8.875 -7.971 2.504 582 HB3 ALA 73 3HB ALA 73 -8.041 -8.684 1.102 583 H GLY 74 H GLY 74 -5.342 -8.416 1.359 584 HA2 GLY 74 1HA GLY 74 -4.732 -10.617 -0.107 585 HA3 GLY 74 2HA GLY 74 -3.575 -9.379 0.339 586 H PHE 75 H PHE 75 -3.527 -9.779 3.200 587 HA PHE 75 HA PHE 75 -1.643 -11.836 3.341 588 HB2 PHE 75 1HB PHE 75 -3.281 -10.113 5.254 589 HB3 PHE 75 2HB PHE 75 -2.291 -11.393 5.927 590 HD1 PHE 75 2HD PHE 75 -1.018 -9.842 2.926 591 HD2 PHE 75 1HD PHE 75 -1.104 -9.571 7.160 592 HE1 PHE 75 2HE PHE 75 0.981 -8.326 2.869 593 HE2 PHE 75 1HE PHE 75 0.895 -8.054 7.103 594 HZ PHE 75 HZ PHE 75 1.914 -7.450 4.958 595 H LYS 76 H LYS 76 -4.996 -11.618 4.744 596 HA LYS 76 HA LYS 76 -4.950 -14.331 5.563 597 HB2 LYS 76 1HB LYS 76 -7.284 -13.945 6.158 598 HB3 LYS 76 2HB LYS 76 -6.265 -12.639 6.729 599 HG2 LYS 76 1HG LYS 76 -7.214 -11.088 5.311 600 HG3 LYS 76 2HG LYS 76 -7.376 -12.231 3.993 601 HD2 LYS 76 1HD LYS 76 -9.116 -12.973 6.236 602 HD3 LYS 76 2HD LYS 76 -9.429 -11.327 5.723 603 HE2 LYS 76 1HE LYS 76 -9.621 -12.153 3.335 604 HE3 LYS 76 2HE LYS 76 -9.420 -13.793 3.918 605 HZ1 LYS 76 1HZ LYS 76 -11.538 -11.997 4.870 606 HZ2 LYS 76 2HZ LYS 76 -11.742 -13.075 3.660 607 HZ3 LYS 76 3HZ LYS 76 -11.399 -13.596 5.170 608 H ARG 77 H ARG 77 -4.044 -14.825 3.200 609 HA ARG 77 HA ARG 77 -6.207 -16.150 1.939 610 HB2 ARG 77 1HB ARG 77 -4.789 -13.832 0.560 611 HB3 ARG 77 2HB ARG 77 -5.525 -15.119 -0.375 612 HG2 ARG 77 1HG ARG 77 -7.618 -14.593 1.257 613 HG3 ARG 77 2HG ARG 77 -6.840 -13.025 1.343 614 HD2 ARG 77 1HD ARG 77 -6.961 -12.733 -1.071 615 HD3 ARG 77 2HD ARG 77 -7.437 -14.402 -1.314 616 HE ARG 77 HE ARG 77 -9.278 -12.945 0.432 617 HH11 ARG 77 2HH2 ARG 77 -8.469 -13.670 -2.915 618 HH12 ARG 77 1HH2 ARG 77 -10.067 -13.355 -3.504 619 HH21 ARG 77 2HH1 ARG 77 -11.387 -12.529 -0.344 620 HH22 ARG 77 1HH1 ARG 77 -11.738 -12.702 -2.031 621 H MET 78 H MET 78 -2.835 -14.899 1.343 622 HA MET 78 HA MET 78 -2.099 -17.354 0.108 623 HB2 MET 78 1HB MET 78 -0.239 -15.135 1.096 624 HB3 MET 78 2HB MET 78 0.041 -16.237 -0.238 625 HG2 MET 78 1HG MET 78 -1.919 -13.911 -0.119 626 HG3 MET 78 2HG MET 78 -0.596 -14.146 -1.243 627 HE1 MET 78 1HE MET 78 -1.769 -16.796 -3.679 628 HE2 MET 78 2HE MET 78 -1.008 -15.187 -3.649 629 HE3 MET 78 3HE MET 78 -0.426 -16.467 -2.558 630 H GLY 79 H GLY 79 -0.832 -15.560 3.017 631 HA2 GLY 79 1HA GLY 79 -1.000 -17.539 4.880 632 HA3 GLY 79 2HA GLY 79 0.476 -17.917 4.015 633 H VAL 80 H VAL 80 -1.229 -15.028 5.427 634 HA VAL 80 HA VAL 80 1.285 -14.323 6.725 635 HB VAL 80 HB VAL 80 -0.346 -12.278 5.230 636 HG11 VAL 80 1HG1 VAL 80 2.333 -12.314 6.614 637 HG12 VAL 80 2HG1 VAL 80 1.973 -11.117 5.347 638 HG13 VAL 80 3HG1 VAL 80 0.973 -11.184 6.818 639 HG21 VAL 80 1HG2 VAL 80 1.626 -12.376 3.564 640 HG22 VAL 80 2HG2 VAL 80 1.924 -13.999 4.230 641 HG23 VAL 80 3HG2 VAL 80 0.367 -13.629 3.452 642 H ASP 81 H ASP 81 0.911 -13.970 8.851 643 HA ASP 81 HA ASP 81 -1.841 -13.318 9.552 644 HB2 ASP 81 1HB ASP 81 -0.608 -15.512 10.363 645 HB3 ASP 81 2HB ASP 81 0.224 -14.441 11.473 646 H LYS 82 H LYS 82 -0.871 -11.021 8.940 647 HA LYS 82 HA LYS 82 0.441 -9.935 11.335 648 HB2 LYS 82 1HB LYS 82 2.123 -9.694 9.787 649 HB3 LYS 82 2HB LYS 82 1.024 -9.540 8.431 650 HG2 LYS 82 1HG LYS 82 1.975 -7.351 8.800 651 HG3 LYS 82 2HG LYS 82 0.312 -7.274 9.348 652 HD2 LYS 82 1HD LYS 82 0.946 -7.383 11.662 653 HD3 LYS 82 2HD LYS 82 2.564 -7.940 11.281 654 HE2 LYS 82 1HE LYS 82 2.986 -5.705 10.127 655 HE3 LYS 82 2HE LYS 82 1.424 -5.164 10.707 656 HZ1 LYS 82 1HZ LYS 82 2.724 -4.502 12.401 657 HZ2 LYS 82 2HZ LYS 82 2.433 -6.011 12.953 658 HZ3 LYS 82 3HZ LYS 82 3.843 -5.674 12.201 659 H ILE 83 H ILE 83 -0.672 -8.371 12.398 660 HA ILE 83 HA ILE 83 -3.203 -7.574 11.240 661 HB ILE 83 HB ILE 83 -2.065 -6.908 13.952 662 HG12 ILE 83 1HG1 ILE 83 -2.042 -9.355 13.573 663 HG13 ILE 83 2HG1 ILE 83 -3.149 -8.861 14.839 664 HG21 ILE 83 1HG2 ILE 83 -4.489 -6.215 12.569 665 HG22 ILE 83 2HG2 ILE 83 -4.870 -7.212 13.993 666 HG23 ILE 83 3HG2 ILE 83 -3.921 -5.717 14.180 667 HD11 ILE 83 1HD1 ILE 83 -4.030 -10.588 13.133 668 HD12 ILE 83 2HD1 ILE 83 -5.073 -9.180 13.450 669 HD13 ILE 83 3HD1 ILE 83 -4.087 -9.242 11.970 670 H ILE 84 H ILE 84 -3.080 -5.965 9.749 671 HA ILE 84 HA ILE 84 -1.024 -4.016 9.840 672 HB ILE 84 HB ILE 84 -3.559 -4.266 8.224 673 HG12 ILE 84 1HG1 ILE 84 -0.673 -5.008 7.747 674 HG13 ILE 84 2HG1 ILE 84 -2.094 -6.029 7.656 675 HG21 ILE 84 1HG2 ILE 84 -3.007 -2.414 6.964 676 HG22 ILE 84 2HG2 ILE 84 -2.568 -1.882 8.604 677 HG23 ILE 84 3HG2 ILE 84 -1.303 -2.432 7.479 678 HD11 ILE 84 1HD1 ILE 84 -2.806 -4.187 5.796 679 HD12 ILE 84 2HD1 ILE 84 -1.035 -4.060 5.663 680 HD13 ILE 84 3HD1 ILE 84 -1.837 -5.627 5.398 681 HA PRO 85 HA PRO 85 -2.907 -1.183 12.505 682 HB2 PRO 85 1HB PRO 85 -1.438 1.052 11.943 683 HB3 PRO 85 2HB PRO 85 -0.879 -0.218 13.014 684 HG2 PRO 85 1HG PRO 85 -0.038 0.373 10.242 685 HG3 PRO 85 2HG PRO 85 0.781 -0.589 11.457 686 HD2 PRO 85 1HD PRO 85 -0.712 -1.568 9.212 687 HD3 PRO 85 2HD PRO 85 0.009 -2.526 10.490 688 H VAL 86 H VAL 86 -2.266 0.310 9.362 689 HA VAL 86 HA VAL 86 -3.573 1.486 8.026 690 HB VAL 86 HB VAL 86 -5.817 0.124 9.530 691 HG11 VAL 86 1HG1 VAL 86 -7.044 0.535 7.317 692 HG12 VAL 86 2HG1 VAL 86 -6.815 1.934 8.393 693 HG13 VAL 86 3HG1 VAL 86 -5.770 1.728 6.966 694 HG21 VAL 86 1HG2 VAL 86 -4.157 -0.673 7.135 695 HG22 VAL 86 2HG2 VAL 86 -4.519 -1.603 8.609 696 HG23 VAL 86 3HG2 VAL 86 -5.792 -1.325 7.396 697 H ASP 87 H ASP 87 -5.748 1.526 10.921 698 HA ASP 87 HA ASP 87 -6.486 4.053 10.837 699 HB2 ASP 87 1HB ASP 87 -5.561 2.946 13.504 700 HB3 ASP 87 2HB ASP 87 -6.986 3.907 13.164 701 H LYS 88 H LYS 88 -3.323 2.762 11.938 702 HA LYS 88 HA LYS 88 -2.429 5.315 12.909 703 HB2 LYS 88 1HB LYS 88 -0.742 2.854 12.429 704 HB3 LYS 88 2HB LYS 88 -0.442 4.177 13.538 705 HG2 LYS 88 1HG LYS 88 -2.418 3.540 14.890 706 HG3 LYS 88 2HG LYS 88 -2.824 2.275 13.748 707 HD2 LYS 88 1HD LYS 88 -1.656 1.029 15.337 708 HD3 LYS 88 2HD LYS 88 -0.350 1.426 14.238 709 HE2 LYS 88 1HE LYS 88 0.725 2.299 16.046 710 HE3 LYS 88 2HE LYS 88 -0.390 3.646 15.929 711 HZ1 LYS 88 1HZ LYS 88 -1.657 2.829 17.602 712 HZ2 LYS 88 2HZ LYS 88 -1.273 1.264 17.332 713 HZ3 LYS 88 3HZ LYS 88 -0.209 2.249 18.084 714 H LEU 89 H LEU 89 -1.972 3.220 10.014 715 HA LEU 89 HA LEU 89 -0.009 4.844 8.834 716 HB2 LEU 89 1HB LEU 89 -1.968 3.061 7.397 717 HB3 LEU 89 2HB LEU 89 -0.363 3.540 6.881 718 HG LEU 89 HG LEU 89 -0.955 1.777 9.275 719 HD11 LEU 89 1HD1 LEU 89 -0.017 1.036 6.490 720 HD12 LEU 89 2HD1 LEU 89 -0.088 -0.067 7.885 721 HD13 LEU 89 3HD1 LEU 89 -1.586 0.638 7.231 722 HD21 LEU 89 1HD2 LEU 89 1.559 2.905 8.114 723 HD22 LEU 89 2HD2 LEU 89 1.092 2.648 9.812 724 HD23 LEU 89 3HD2 LEU 89 1.593 1.266 8.808 725 H VAL 90 H VAL 90 -3.578 4.568 8.191 726 HA VAL 90 HA VAL 90 -3.708 6.644 6.377 727 HB VAL 90 HB VAL 90 -6.082 6.667 6.880 728 HG11 VAL 90 1HG1 VAL 90 -4.676 4.573 5.859 729 HG12 VAL 90 2HG1 VAL 90 -5.563 3.766 7.173 730 HG13 VAL 90 3HG1 VAL 90 -6.453 4.656 5.914 731 HG21 VAL 90 1HG2 VAL 90 -6.638 6.509 9.056 732 HG22 VAL 90 2HG2 VAL 90 -6.580 4.751 8.784 733 HG23 VAL 90 3HG2 VAL 90 -5.168 5.593 9.467 734 H LYS 91 H LYS 91 -3.482 6.648 9.926 735 HA LYS 91 HA LYS 91 -4.246 9.384 10.179 736 HB2 LYS 91 1HB LYS 91 -3.150 7.264 12.004 737 HB3 LYS 91 2HB LYS 91 -3.121 8.939 12.517 738 HG2 LYS 91 1HG LYS 91 -5.639 7.569 11.470 739 HG3 LYS 91 2HG LYS 91 -5.217 7.616 13.170 740 HD2 LYS 91 1HD LYS 91 -5.029 10.285 11.953 741 HD3 LYS 91 2HD LYS 91 -6.624 9.595 11.725 742 HE2 LYS 91 1HE LYS 91 -6.748 9.110 14.191 743 HE3 LYS 91 2HE LYS 91 -5.171 9.843 14.404 744 HZ1 LYS 91 1HZ LYS 91 -6.441 11.753 13.096 745 HZ2 LYS 91 2HZ LYS 91 -7.701 11.099 13.904 746 HZ3 LYS 91 3HZ LYS 91 -6.404 11.656 14.725 747 H GLY 92 H GLY 92 -1.619 7.935 8.720 748 HA2 GLY 92 1HA GLY 92 0.486 8.579 8.235 749 HA3 GLY 92 2HA GLY 92 -0.184 10.198 8.235 750 H LYS 93 H LYS 93 1.053 7.646 10.502 751 HA LYS 93 HA LYS 93 1.891 9.801 12.297 752 HB2 LYS 93 1HB LYS 93 1.272 6.879 12.696 753 HB3 LYS 93 2HB LYS 93 2.259 7.748 13.853 754 HG2 LYS 93 1HG LYS 93 -0.057 9.371 13.190 755 HG3 LYS 93 2HG LYS 93 -0.598 7.760 13.619 756 HD2 LYS 93 1HD LYS 93 1.508 8.663 15.446 757 HD3 LYS 93 2HD LYS 93 0.195 9.822 15.396 758 HE2 LYS 93 1HE LYS 93 -1.312 8.373 16.375 759 HE3 LYS 93 2HE LYS 93 -0.673 6.971 15.540 760 HZ1 LYS 93 1HZ LYS 93 0.756 8.308 17.727 761 HZ2 LYS 93 2HZ LYS 93 -0.248 7.041 17.957 762 HZ3 LYS 93 3HZ LYS 93 1.104 6.859 17.059 763 H PHE 94 H PHE 94 3.079 8.497 9.621 764 HA PHE 94 HA PHE 94 5.087 8.107 8.801 765 HB2 PHE 94 1HB PHE 94 5.647 10.295 9.764 766 HB3 PHE 94 2HB PHE 94 5.723 9.632 11.385 767 HD1 PHE 94 1HD PHE 94 7.403 9.329 8.069 768 HD2 PHE 94 2HD PHE 94 7.788 9.100 12.288 769 HE1 PHE 94 1HE PHE 94 9.882 9.018 7.826 770 HE2 PHE 94 2HE PHE 94 10.267 8.789 12.046 771 HZ PHE 94 HZ PHE 94 11.284 8.752 9.817 772 H GLN 95 H GLN 95 6.149 7.942 12.250 773 HA GLN 95 HA GLN 95 7.738 5.806 11.986 774 HB2 GLN 95 1HB GLN 95 6.707 7.336 14.108 775 HB3 GLN 95 2HB GLN 95 6.270 5.692 14.530 776 HG2 GLN 95 1HG GLN 95 8.588 4.946 14.354 777 HG3 GLN 95 2HG GLN 95 9.087 6.475 13.659 778 HE21 GLN 95 1HE2 GLN 95 9.994 7.859 14.964 779 HE22 GLN 95 2HE2 GLN 95 9.793 7.978 16.680 780 H ASP 96 H ASP 96 4.274 5.661 13.103 781 HA ASP 96 HA ASP 96 4.033 3.005 13.348 782 HB2 ASP 96 1HB ASP 96 2.118 5.126 12.328 783 HB3 ASP 96 2HB ASP 96 1.595 3.455 12.415 784 H ASN 97 H ASN 97 4.475 4.925 10.425 785 HA ASN 97 HA ASN 97 3.516 2.835 8.712 786 HB2 ASN 97 1HB ASN 97 4.051 5.673 8.489 787 HB3 ASN 97 2HB ASN 97 5.021 4.855 7.280 788 HD21 ASN 97 1HD2 ASN 97 1.962 5.980 8.155 789 HD22 ASN 97 2HD2 ASN 97 1.017 5.312 6.867 790 H PHE 98 H PHE 98 6.570 4.381 9.834 791 HA PHE 98 HA PHE 98 8.250 2.976 8.039 792 HB2 PHE 98 1HB PHE 98 8.666 5.177 9.326 793 HB3 PHE 98 2HB PHE 98 8.787 4.232 10.797 794 HD1 PHE 98 1HD PHE 98 10.618 2.432 10.895 795 HD2 PHE 98 2HD PHE 98 10.552 5.522 7.988 796 HE1 PHE 98 1HE PHE 98 13.069 2.089 10.474 797 HE2 PHE 98 2HE PHE 98 13.002 5.179 7.567 798 HZ PHE 98 HZ PHE 98 14.232 3.466 8.815 799 H GLU 99 H GLU 99 7.037 2.416 11.372 800 HA GLU 99 HA GLU 99 8.797 0.227 11.774 801 HB2 GLU 99 1HB GLU 99 6.308 1.084 13.316 802 HB3 GLU 99 2HB GLU 99 7.468 -0.111 13.862 803 HG2 GLU 99 1HG GLU 99 8.392 2.681 13.105 804 HG3 GLU 99 2HG GLU 99 7.707 2.377 14.689 805 H PHE 100 H PHE 100 6.050 0.673 9.860 806 HA PHE 100 HA PHE 100 5.179 -2.098 10.218 807 HB2 PHE 100 1HB PHE 100 3.335 -0.544 10.335 808 HB3 PHE 100 2HB PHE 100 4.034 0.507 9.118 809 HD1 PHE 100 1HD PHE 100 3.991 -0.222 6.709 810 HD2 PHE 100 2HD PHE 100 1.837 -2.274 9.735 811 HE1 PHE 100 1HE PHE 100 2.548 -1.292 4.956 812 HE2 PHE 100 2HE PHE 100 0.394 -3.345 7.982 813 HZ PHE 100 HZ PHE 100 0.767 -2.841 5.613 814 H VAL 101 H VAL 101 6.597 0.250 7.938 815 HA VAL 101 HA VAL 101 6.302 -1.470 5.677 816 HB VAL 101 HB VAL 101 6.350 0.978 5.536 817 HG11 VAL 101 1HG1 VAL 101 9.322 0.956 6.009 818 HG12 VAL 101 2HG1 VAL 101 8.172 2.313 6.078 819 HG13 VAL 101 3HG1 VAL 101 8.198 1.101 7.381 820 HG21 VAL 101 1HG2 VAL 101 6.908 -0.273 3.548 821 HG22 VAL 101 2HG2 VAL 101 7.973 1.150 3.644 822 HG23 VAL 101 3HG2 VAL 101 8.595 -0.459 4.084 823 H GLN 102 H GLN 102 8.952 -0.573 7.968 824 HA GLN 102 HA GLN 102 10.974 -1.918 6.752 825 HB2 GLN 102 1HB GLN 102 12.112 -1.840 8.873 826 HB3 GLN 102 2HB GLN 102 11.111 -0.405 8.779 827 HG2 GLN 102 1HG GLN 102 9.502 -1.264 10.310 828 HG3 GLN 102 2HG GLN 102 10.017 -2.922 10.072 829 HE21 GLN 102 1HE2 GLN 102 9.767 -2.228 12.565 830 HE22 GLN 102 2HE2 GLN 102 11.276 -1.946 13.367 831 H TRP 103 H TRP 103 8.145 -3.185 8.396 832 HA TRP 103 HA TRP 103 9.330 -5.795 8.790 833 HB2 TRP 103 1HB TRP 103 7.838 -5.001 10.483 834 HB3 TRP 103 2HB TRP 103 6.581 -4.660 9.310 835 HD1 TRP 103 HD TRP 103 8.072 -7.564 11.300 836 HE1 TRP 103 1HE TRP 103 6.613 -9.751 11.077 837 HE3 TRP 103 3HE TRP 103 5.045 -5.799 7.615 838 HZ2 TRP 103 2HZ TRP 103 4.406 -10.481 9.422 839 HZ3 TRP 103 3HZ TRP 103 3.263 -7.314 6.751 840 HH2 TRP 103 HH TRP 103 2.919 -9.582 7.594 841 H PHE 104 H PHE 104 6.532 -4.357 6.949 842 HA PHE 104 HA PHE 104 5.819 -6.489 5.468 843 HB2 PHE 104 1HB PHE 104 5.755 -3.550 5.357 844 HB3 PHE 104 2HB PHE 104 5.924 -4.183 3.731 845 HD1 PHE 104 1HD PHE 104 3.824 -4.460 6.784 846 HD2 PHE 104 2HD PHE 104 4.059 -5.002 2.582 847 HE1 PHE 104 1HE PHE 104 1.357 -4.916 6.705 848 HE2 PHE 104 2HE PHE 104 1.592 -5.459 2.503 849 HZ PHE 104 HZ PHE 104 0.271 -5.410 4.565 850 H LYS 105 H LYS 105 8.689 -4.392 5.000 851 HA LYS 105 HA LYS 105 9.322 -5.511 2.457 852 HB2 LYS 105 1HB LYS 105 9.952 -3.220 3.128 853 HB3 LYS 105 2HB LYS 105 10.999 -3.865 4.376 854 HG2 LYS 105 1HG LYS 105 11.542 -5.127 1.778 855 HG3 LYS 105 2HG LYS 105 11.686 -3.384 1.677 856 HD2 LYS 105 1HD LYS 105 13.014 -3.798 4.028 857 HD3 LYS 105 2HD LYS 105 13.326 -5.339 3.252 858 HE2 LYS 105 1HE LYS 105 14.203 -4.141 1.232 859 HE3 LYS 105 2HE LYS 105 13.896 -2.602 2.013 860 HZ1 LYS 105 1HZ LYS 105 15.506 -3.046 3.609 861 HZ2 LYS 105 2HZ LYS 105 15.585 -4.641 3.264 862 HZ3 LYS 105 3HZ LYS 105 16.193 -3.548 2.214 863 H LYS 106 H LYS 106 10.709 -5.842 5.799 864 HA LYS 106 HA LYS 106 12.623 -7.699 5.242 865 HB2 LYS 106 1HB LYS 106 11.390 -6.586 7.534 866 HB3 LYS 106 2HB LYS 106 11.336 -8.324 7.750 867 HG2 LYS 106 1HG LYS 106 13.601 -8.483 8.012 868 HG3 LYS 106 2HG LYS 106 13.925 -7.420 6.657 869 HD2 LYS 106 1HD LYS 106 12.816 -6.208 9.193 870 HD3 LYS 106 2HD LYS 106 14.503 -6.684 9.169 871 HE2 LYS 106 1HE LYS 106 13.338 -4.979 6.935 872 HE3 LYS 106 2HE LYS 106 13.884 -4.246 8.431 873 HZ1 LYS 106 1HZ LYS 106 16.003 -4.645 7.917 874 HZ2 LYS 106 2HZ LYS 106 15.720 -6.111 7.255 875 HZ3 LYS 106 3HZ LYS 106 15.465 -4.756 6.379 876 H PHE 107 H PHE 107 9.149 -8.321 6.091 877 HA PHE 107 HA PHE 107 9.319 -11.086 5.870 878 HB2 PHE 107 1HB PHE 107 7.476 -9.427 6.780 879 HB3 PHE 107 2HB PHE 107 6.945 -9.293 5.115 880 HD1 PHE 107 2HD PHE 107 6.313 -11.491 3.912 881 HD2 PHE 107 1HD PHE 107 6.668 -11.150 8.126 882 HE1 PHE 107 2HE PHE 107 4.898 -13.544 4.197 883 HE2 PHE 107 1HE PHE 107 5.252 -13.203 8.412 884 HZ PHE 107 HZ PHE 107 4.384 -14.376 6.444 885 H PHE 108 H PHE 108 8.211 -8.606 3.452 886 HA PHE 108 HA PHE 108 7.490 -10.201 1.414 887 HB2 PHE 108 1HB PHE 108 8.765 -7.523 1.822 888 HB3 PHE 108 2HB PHE 108 9.029 -8.165 0.213 889 HD1 PHE 108 2HD PHE 108 6.072 -8.311 2.493 890 HD2 PHE 108 1HD PHE 108 7.630 -7.068 -1.254 891 HE1 PHE 108 2HE PHE 108 3.790 -7.526 1.804 892 HE2 PHE 108 1HE PHE 108 5.347 -6.283 -1.942 893 HZ PHE 108 HZ PHE 108 3.455 -6.522 -0.405 894 H ASP 109 H ASP 109 10.883 -9.090 2.100 895 HA ASP 109 HA ASP 109 12.160 -10.142 0.022 896 HB2 ASP 109 1HB ASP 109 13.087 -8.954 2.126 897 HB3 ASP 109 2HB ASP 109 13.142 -10.534 2.882 898 H SER 110 H SER 110 11.630 -11.878 3.194 899 HA SER 110 HA SER 110 12.618 -14.269 2.616 900 HB2 SER 110 1HB SER 110 10.584 -13.221 4.420 901 HB3 SER 110 2HB SER 110 10.149 -14.842 3.914 902 HG SER 110 HG SER 110 11.489 -15.332 5.552 903 H GLY 111 H GLY 111 9.015 -13.869 2.424 904 HA2 GLY 111 1HA GLY 111 8.025 -14.148 0.161 905 HA3 GLY 111 2HA GLY 111 9.067 -15.545 -0.015 906 HA PRO 112 HA PRO 112 5.987 -17.922 1.903 907 HB2 PRO 112 1HB PRO 112 7.409 -20.120 2.684 908 HB3 PRO 112 2HB PRO 112 6.850 -19.875 1.041 909 HG2 PRO 112 1HG PRO 112 9.583 -19.591 2.130 910 HG3 PRO 112 2HG PRO 112 9.079 -19.769 0.461 911 HD2 PRO 112 1HD PRO 112 9.919 -17.349 1.752 912 HD3 PRO 112 2HD PRO 112 9.305 -17.507 0.118 913 H SER 113 H SER 113 5.025 -18.703 3.865 914 HA SER 113 HA SER 113 6.462 -17.513 6.105 915 HB2 SER 113 1HB SER 113 4.430 -16.325 5.902 916 HB3 SER 113 2HB SER 113 3.520 -17.751 5.444 917 HG SER 113 HG SER 113 4.726 -17.766 8.023 918 H SER 114 H SER 114 7.500 -19.113 7.249 919 HA SER 114 HA SER 114 6.342 -21.743 7.251 920 HB2 SER 114 1HB SER 114 8.940 -20.653 8.420 921 HB3 SER 114 2HB SER 114 8.467 -22.338 8.495 922 HG SER 114 HG SER 114 8.217 -21.999 5.995 923 H GLY 115 H GLY 115 4.812 -22.242 8.776 924 HA2 GLY 115 1HA GLY 115 4.355 -22.686 11.059 925 HA3 GLY 115 2HA GLY 115 5.241 -21.246 11.517 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 22.308 14.184 -7.104 2 HA2 GLY 1 1HA GLY 1 22.248 11.371 -8.009 3 HA3 GLY 1 2HA GLY 1 23.040 12.621 -8.948 4 H SER 2 H SER 2 22.910 11.538 -5.472 5 HA SER 2 HA SER 2 25.603 10.871 -5.431 6 HB2 SER 2 1HB SER 2 26.508 12.682 -4.008 7 HB3 SER 2 2HB SER 2 26.003 13.297 -5.570 8 HG SER 2 HG SER 2 25.268 14.247 -3.229 9 H SER 3 H SER 3 24.835 9.035 -4.309 10 HA SER 3 HA SER 3 24.618 9.282 -1.565 11 HB2 SER 3 1HB SER 3 22.164 9.849 -2.845 12 HB3 SER 3 2HB SER 3 21.994 8.196 -2.291 13 HG SER 3 HG SER 3 21.922 8.855 -0.246 14 H GLY 4 H GLY 4 24.284 7.098 -0.528 15 HA2 GLY 4 1HA GLY 4 23.742 4.734 -1.757 16 HA3 GLY 4 2HA GLY 4 25.414 5.037 -2.186 17 H SER 5 H SER 5 27.067 5.042 -0.561 18 HA SER 5 HA SER 5 26.782 3.242 1.423 19 HB2 SER 5 1HB SER 5 28.687 5.515 0.919 20 HB3 SER 5 2HB SER 5 28.769 4.727 2.482 21 HG SER 5 HG SER 5 29.792 3.094 1.568 22 H SER 6 H SER 6 26.843 6.862 1.861 23 HA SER 6 HA SER 6 26.179 6.792 4.529 24 HB2 SER 6 1HB SER 6 25.537 9.190 4.201 25 HB3 SER 6 2HB SER 6 27.086 8.796 3.483 26 HG SER 6 HG SER 6 24.988 8.394 1.699 27 H GLY 7 H GLY 7 24.124 7.294 5.629 28 HA2 GLY 7 1HA GLY 7 21.785 7.640 5.553 29 HA3 GLY 7 2HA GLY 7 21.717 6.857 3.987 30 H GLN 8 H GLN 8 21.235 6.444 7.331 31 HA GLN 8 HA GLN 8 21.646 3.576 7.149 32 HB2 GLN 8 1HB GLN 8 21.325 5.511 9.459 33 HB3 GLN 8 2HB GLN 8 21.058 3.797 9.706 34 HG2 GLN 8 1HG GLN 8 23.561 4.555 8.232 35 HG3 GLN 8 2HG GLN 8 23.507 4.966 9.935 36 HE21 GLN 8 1HE2 GLN 8 23.823 2.504 7.590 37 HE22 GLN 8 2HE2 GLN 8 24.004 1.137 8.638 38 H ARG 9 H ARG 9 19.173 5.989 8.293 39 HA ARG 9 HA ARG 9 17.184 3.987 7.572 40 HB2 ARG 9 1HB ARG 9 17.230 5.984 9.877 41 HB3 ARG 9 2HB ARG 9 15.734 5.244 9.344 42 HG2 ARG 9 1HG ARG 9 17.477 3.057 9.557 43 HG3 ARG 9 2HG ARG 9 17.952 4.072 10.904 44 HD2 ARG 9 1HD ARG 9 15.317 4.247 11.315 45 HD3 ARG 9 2HD ARG 9 15.270 2.776 10.364 46 HE ARG 9 HE ARG 9 17.285 2.300 12.228 47 HH11 ARG 9 2HH2 ARG 9 13.891 3.209 12.420 48 HH12 ARG 9 1HH2 ARG 9 13.640 2.441 13.952 49 HH21 ARG 9 2HH1 ARG 9 16.954 1.286 14.249 50 HH22 ARG 9 1HH1 ARG 9 15.394 1.339 14.999 51 H ARG 10 H ARG 10 14.965 5.043 7.028 52 HA ARG 10 HA ARG 10 13.743 6.422 5.896 53 HB2 ARG 10 1HB ARG 10 15.666 8.279 7.182 54 HB3 ARG 10 2HB ARG 10 14.994 8.923 5.698 55 HG2 ARG 10 1HG ARG 10 13.076 7.625 7.621 56 HG3 ARG 10 2HG ARG 10 13.742 9.178 8.084 57 HD2 ARG 10 1HD ARG 10 12.239 8.567 5.493 58 HD3 ARG 10 2HD ARG 10 11.630 9.501 6.845 59 HE ARG 10 HE ARG 10 13.901 10.887 6.241 60 HH11 ARG 10 2HH2 ARG 10 11.311 9.671 4.193 61 HH12 ARG 10 1HH2 ARG 10 11.486 10.923 3.009 62 HH21 ARG 10 2HH1 ARG 10 14.132 12.539 4.680 63 HH22 ARG 10 1HH1 ARG 10 13.102 12.566 3.288 64 H HIS 11 H HIS 11 13.484 6.849 3.658 65 HA HIS 11 HA HIS 11 14.002 7.057 1.531 66 HB2 HIS 11 1HB HIS 11 15.772 8.744 2.661 67 HB3 HIS 11 2HB HIS 11 16.898 7.608 1.946 68 HD1 HIS 11 1HD HIS 11 15.756 6.983 -0.759 69 HD2 HIS 11 2HD HIS 11 15.557 10.823 0.918 70 HE1 HIS 11 1HE HIS 11 15.455 8.600 -2.709 71 H ASP 12 H ASP 12 15.014 4.732 3.600 72 HA ASP 12 HA ASP 12 16.746 3.343 1.797 73 HB2 ASP 12 1HB ASP 12 16.959 3.254 4.321 74 HB3 ASP 12 2HB ASP 12 15.427 2.406 4.388 75 H MET 13 H MET 13 13.396 3.141 3.157 76 HA MET 13 HA MET 13 12.812 0.782 1.676 77 HB2 MET 13 1HB MET 13 10.870 2.705 3.063 78 HB3 MET 13 2HB MET 13 10.593 1.009 2.717 79 HG2 MET 13 1HG MET 13 12.698 2.104 4.646 80 HG3 MET 13 2HG MET 13 11.185 1.352 5.110 81 HE1 MET 13 1HE MET 13 11.178 -2.013 4.637 82 HE2 MET 13 2HE MET 13 10.417 -0.622 3.827 83 HE3 MET 13 3HE MET 13 11.450 -1.737 2.900 84 H LEU 14 H LEU 14 12.043 4.302 1.462 85 HA LEU 14 HA LEU 14 10.157 4.357 -0.451 86 HB2 LEU 14 1HB LEU 14 12.545 6.180 -0.574 87 HB3 LEU 14 2HB LEU 14 10.875 6.531 -0.976 88 HG LEU 14 HG LEU 14 12.168 6.314 1.728 89 HD11 LEU 14 1HD1 LEU 14 12.167 8.519 1.040 90 HD12 LEU 14 2HD1 LEU 14 10.602 8.374 0.205 91 HD13 LEU 14 3HD1 LEU 14 10.660 8.422 1.983 92 HD21 LEU 14 1HD2 LEU 14 9.714 6.548 2.588 93 HD22 LEU 14 2HD2 LEU 14 9.301 5.736 1.058 94 HD23 LEU 14 3HD2 LEU 14 10.384 4.939 2.224 95 H ALA 15 H ALA 15 13.682 3.767 -0.927 96 HA ALA 15 HA ALA 15 13.534 3.697 -3.738 97 HB1 ALA 15 1HB ALA 15 15.645 4.086 -2.690 98 HB2 ALA 15 2HB ALA 15 15.494 2.627 -1.680 99 HB3 ALA 15 3HB ALA 15 15.760 2.473 -3.433 100 H TRP 16 H TRP 16 13.313 1.185 -1.151 101 HA TRP 16 HA TRP 16 13.340 -1.072 -2.666 102 HB2 TRP 16 1HB TRP 16 13.260 -1.016 -0.224 103 HB3 TRP 16 2HB TRP 16 11.597 -0.467 -0.271 104 HD1 TRP 16 HD TRP 16 13.481 -3.559 -1.785 105 HE1 TRP 16 1HE TRP 16 12.036 -5.746 -1.485 106 HE3 TRP 16 3HE TRP 16 9.548 -1.279 0.493 107 HZ2 TRP 16 2HZ TRP 16 9.468 -6.266 -0.353 108 HZ3 TRP 16 3HZ TRP 16 7.612 -2.699 1.163 109 HH2 TRP 16 HH TRP 16 7.531 -5.110 0.774 110 H ILE 17 H ILE 17 10.358 0.784 -1.687 111 HA ILE 17 HA ILE 17 8.640 -0.593 -3.371 112 HB ILE 17 HB ILE 17 8.526 2.176 -2.184 113 HG12 ILE 17 1HG1 ILE 17 6.617 0.557 -0.992 114 HG13 ILE 17 2HG1 ILE 17 7.969 -0.534 -1.216 115 HG21 ILE 17 1HG2 ILE 17 6.305 2.425 -2.847 116 HG22 ILE 17 2HG2 ILE 17 7.112 1.799 -4.305 117 HG23 ILE 17 3HG2 ILE 17 6.139 0.709 -3.289 118 HD11 ILE 17 1HD1 ILE 17 8.557 2.223 -0.152 119 HD12 ILE 17 2HD1 ILE 17 7.806 1.036 0.941 120 HD13 ILE 17 3HD1 ILE 17 9.379 0.681 0.187 121 H ASN 18 H ASN 18 10.176 2.666 -3.872 122 HA ASN 18 HA ASN 18 9.279 3.244 -6.288 123 HB2 ASN 18 1HB ASN 18 12.022 3.568 -5.034 124 HB3 ASN 18 2HB ASN 18 11.801 4.076 -6.697 125 HD21 ASN 18 1HD2 ASN 18 12.098 5.350 -3.880 126 HD22 ASN 18 2HD2 ASN 18 10.936 6.634 -3.872 127 H GLU 19 H GLU 19 12.022 1.008 -5.485 128 HA GLU 19 HA GLU 19 12.307 0.335 -8.266 129 HB2 GLU 19 1HB GLU 19 13.908 0.041 -5.798 130 HB3 GLU 19 2HB GLU 19 13.972 -1.376 -6.828 131 HG2 GLU 19 1HG GLU 19 14.194 0.883 -8.569 132 HG3 GLU 19 2HG GLU 19 15.246 1.213 -7.207 133 H SER 20 H SER 20 9.763 -0.325 -7.605 134 HA SER 20 HA SER 20 9.900 -3.191 -7.713 135 HB2 SER 20 1HB SER 20 8.245 -1.734 -5.604 136 HB3 SER 20 2HB SER 20 8.087 -3.439 -5.978 137 HG SER 20 HG SER 20 9.911 -3.890 -4.910 138 H LEU 21 H LEU 21 7.870 -0.196 -7.613 139 HA LEU 21 HA LEU 21 6.386 -1.280 -9.893 140 HB2 LEU 21 1HB LEU 21 4.934 0.329 -7.846 141 HB3 LEU 21 2HB LEU 21 4.321 -0.833 -9.006 142 HG LEU 21 HG LEU 21 6.102 -1.928 -6.896 143 HD11 LEU 21 1HD1 LEU 21 3.878 -2.033 -5.449 144 HD12 LEU 21 2HD1 LEU 21 5.034 -0.688 -5.310 145 HD13 LEU 21 3HD1 LEU 21 3.558 -0.495 -6.285 146 HD21 LEU 21 1HD2 LEU 21 5.184 -3.828 -7.577 147 HD22 LEU 21 2HD2 LEU 21 3.550 -3.224 -7.212 148 HD23 LEU 21 3HD2 LEU 21 4.279 -2.910 -8.805 149 H GLN 22 H GLN 22 8.616 0.856 -8.970 150 HA GLN 22 HA GLN 22 9.344 2.731 -9.791 151 HB2 GLN 22 1HB GLN 22 7.378 1.911 -11.837 152 HB3 GLN 22 2HB GLN 22 7.634 3.644 -11.802 153 HG2 GLN 22 1HG GLN 22 10.209 2.977 -11.700 154 HG3 GLN 22 2HG GLN 22 9.646 1.446 -12.338 155 HE21 GLN 22 1HE2 GLN 22 11.340 2.838 -13.832 156 HE22 GLN 22 2HE2 GLN 22 10.577 3.556 -15.211 157 H LEU 23 H LEU 23 7.800 2.849 -7.477 158 HA LEU 23 HA LEU 23 5.696 4.717 -7.654 159 HB2 LEU 23 1HB LEU 23 7.252 3.360 -5.537 160 HB3 LEU 23 2HB LEU 23 6.521 4.886 -5.085 161 HG LEU 23 HG LEU 23 4.962 3.253 -4.463 162 HD11 LEU 23 1HD1 LEU 23 3.893 4.032 -7.175 163 HD12 LEU 23 2HD1 LEU 23 3.014 3.819 -5.642 164 HD13 LEU 23 3HD1 LEU 23 4.098 5.214 -5.860 165 HD21 LEU 23 1HD2 LEU 23 5.774 1.894 -6.992 166 HD22 LEU 23 2HD2 LEU 23 5.529 1.235 -5.357 167 HD23 LEU 23 3HD2 LEU 23 4.125 1.621 -6.381 168 H ASN 24 H ASN 24 6.049 6.774 -5.967 169 HA ASN 24 HA ASN 24 8.544 8.044 -6.635 170 HB2 ASN 24 1HB ASN 24 6.903 10.155 -7.179 171 HB3 ASN 24 2HB ASN 24 7.501 9.083 -8.429 172 HD21 ASN 24 1HD2 ASN 24 6.176 7.597 -9.390 173 HD22 ASN 24 2HD2 ASN 24 4.454 7.570 -9.205 174 H LEU 25 H LEU 25 8.134 7.266 -4.133 175 HA LEU 25 HA LEU 25 6.657 9.355 -2.720 176 HB2 LEU 25 1HB LEU 25 7.833 6.816 -1.596 177 HB3 LEU 25 2HB LEU 25 6.682 7.895 -0.834 178 HG LEU 25 HG LEU 25 6.168 6.128 -3.241 179 HD11 LEU 25 1HD1 LEU 25 6.097 4.656 -1.486 180 HD12 LEU 25 2HD1 LEU 25 5.576 5.894 -0.317 181 HD13 LEU 25 3HD1 LEU 25 4.413 5.233 -1.492 182 HD21 LEU 25 1HD2 LEU 25 3.759 7.174 -2.137 183 HD22 LEU 25 2HD2 LEU 25 4.856 8.536 -2.468 184 HD23 LEU 25 3HD2 LEU 25 4.432 7.399 -3.770 185 H THR 26 H THR 26 7.650 10.671 -1.134 186 HA THR 26 HA THR 26 10.594 10.658 -1.291 187 HB THR 26 HB THR 26 9.496 12.609 -2.409 188 HG1 THR 26 1HG THR 26 10.560 13.225 0.254 189 HG21 THR 26 1HG2 THR 26 8.672 14.109 -0.132 190 HG22 THR 26 2HG2 THR 26 7.634 13.535 -1.459 191 HG23 THR 26 3HG2 THR 26 7.839 12.542 0.004 192 H LYS 27 H LYS 27 7.734 10.519 0.743 193 HA LYS 27 HA LYS 27 9.541 10.336 3.042 194 HB2 LYS 27 1HB LYS 27 6.861 11.750 3.082 195 HB3 LYS 27 2HB LYS 27 7.975 11.571 4.422 196 HG2 LYS 27 1HG LYS 27 9.029 12.820 1.888 197 HG3 LYS 27 2HG LYS 27 7.947 13.781 2.877 198 HD2 LYS 27 1HD LYS 27 9.411 13.488 4.845 199 HD3 LYS 27 2HD LYS 27 10.451 12.398 3.950 200 HE2 LYS 27 1HE LYS 27 9.941 15.247 3.000 201 HE3 LYS 27 2HE LYS 27 11.206 14.880 4.156 202 HZ1 LYS 27 1HZ LYS 27 12.458 14.180 2.507 203 HZ2 LYS 27 2HZ LYS 27 11.350 13.081 2.026 204 HZ3 LYS 27 3HZ LYS 27 11.309 14.599 1.425 205 H ILE 28 H ILE 28 9.059 8.690 4.506 206 HA ILE 28 HA ILE 28 7.839 6.446 3.584 207 HB ILE 28 HB ILE 28 8.561 7.495 6.272 208 HG12 ILE 28 1HG1 ILE 28 10.114 6.369 4.553 209 HG13 ILE 28 2HG1 ILE 28 10.203 5.851 6.225 210 HG21 ILE 28 1HG2 ILE 28 6.521 5.405 5.792 211 HG22 ILE 28 2HG2 ILE 28 7.807 4.989 6.950 212 HG23 ILE 28 3HG2 ILE 28 6.808 6.438 7.213 213 HD11 ILE 28 1HD1 ILE 28 9.708 4.226 3.954 214 HD12 ILE 28 2HD1 ILE 28 9.627 3.735 5.663 215 HD13 ILE 28 3HD1 ILE 28 8.161 4.309 4.831 216 H GLU 29 H GLU 29 6.374 9.077 5.592 217 HA GLU 29 HA GLU 29 3.988 8.070 6.130 218 HB2 GLU 29 1HB GLU 29 5.113 10.681 5.874 219 HB3 GLU 29 2HB GLU 29 3.563 10.736 5.059 220 HG2 GLU 29 1HG GLU 29 2.742 9.409 7.244 221 HG3 GLU 29 2HG GLU 29 4.163 10.143 7.958 222 H GLN 30 H GLN 30 5.219 8.905 2.914 223 HA GLN 30 HA GLN 30 2.943 9.221 1.502 224 HB2 GLN 30 1HB GLN 30 5.557 7.845 0.793 225 HB3 GLN 30 2HB GLN 30 4.287 8.052 -0.396 226 HG2 GLN 30 1HG GLN 30 5.273 10.419 1.237 227 HG3 GLN 30 2HG GLN 30 6.143 9.900 -0.193 228 HE21 GLN 30 1HE2 GLN 30 5.647 11.945 -1.093 229 HE22 GLN 30 2HE2 GLN 30 4.109 12.269 -1.823 230 H LEU 31 H LEU 31 4.059 6.359 3.175 231 HA LEU 31 HA LEU 31 2.299 4.629 1.640 232 HB2 LEU 31 1HB LEU 31 3.864 3.747 4.027 233 HB3 LEU 31 2HB LEU 31 3.397 2.846 2.598 234 HG LEU 31 HG LEU 31 5.206 5.073 1.991 235 HD11 LEU 31 1HD1 LEU 31 5.853 4.170 4.378 236 HD12 LEU 31 2HD1 LEU 31 6.554 2.828 3.442 237 HD13 LEU 31 3HD1 LEU 31 7.099 4.498 3.150 238 HD21 LEU 31 1HD2 LEU 31 5.803 2.186 1.465 239 HD22 LEU 31 2HD2 LEU 31 4.437 2.960 0.625 240 HD23 LEU 31 3HD2 LEU 31 6.081 3.619 0.447 241 H CYS 32 H CYS 32 1.169 6.888 3.148 242 HA CYS 32 HA CYS 32 -0.007 5.621 5.463 243 HB2 CYS 32 1HB CYS 32 -1.095 7.841 5.800 244 HB3 CYS 32 2HB CYS 32 0.656 7.908 5.767 245 HG CYS 32 HG CYS 32 -1.408 8.419 3.224 246 H SER 33 H SER 33 -0.517 5.966 2.065 247 HA SER 33 HA SER 33 -3.354 6.003 2.184 248 HB2 SER 33 1HB SER 33 -3.145 5.554 -0.306 249 HB3 SER 33 2HB SER 33 -2.321 6.996 0.253 250 HG SER 33 HG SER 33 -0.386 6.130 -0.197 251 H GLY 34 H GLY 34 -0.912 3.572 0.987 252 HA2 GLY 34 1HA GLY 34 -0.935 1.324 1.723 253 HA3 GLY 34 2HA GLY 34 -2.657 1.437 2.024 254 H ALA 35 H ALA 35 -0.570 2.308 -0.828 255 HA ALA 35 HA ALA 35 -2.372 0.645 -2.451 256 HB1 ALA 35 1HB ALA 35 -2.393 2.282 -4.039 257 HB2 ALA 35 2HB ALA 35 -1.973 3.332 -2.664 258 HB3 ALA 35 3HB ALA 35 -0.695 2.730 -3.748 259 H ALA 36 H ALA 36 1.030 1.918 -2.248 260 HA ALA 36 HA ALA 36 2.282 0.387 -4.036 261 HB1 ALA 36 1HB ALA 36 2.988 1.428 -1.319 262 HB2 ALA 36 2HB ALA 36 4.110 0.269 -2.070 263 HB3 ALA 36 3HB ALA 36 3.712 1.790 -2.905 264 H TYR 37 H TYR 37 1.714 -0.677 -0.600 265 HA TYR 37 HA TYR 37 2.664 -3.192 -0.731 266 HB2 TYR 37 1HB TYR 37 -0.054 -2.309 0.420 267 HB3 TYR 37 2HB TYR 37 0.939 -3.611 1.045 268 HD1 TYR 37 1HD TYR 37 3.588 -2.560 1.325 269 HD2 TYR 37 2HD TYR 37 -0.141 -0.550 1.924 270 HE1 TYR 37 1HE TYR 37 4.714 -0.929 2.917 271 HE2 TYR 37 2HE TYR 37 0.998 1.074 3.514 272 HH TYR 37 HH TYR 37 2.834 1.654 4.480 273 H CYS 38 H CYS 38 -0.647 -2.131 -1.767 274 HA CYS 38 HA CYS 38 -1.617 -4.616 -2.410 275 HB2 CYS 38 1HB CYS 38 -2.311 -1.830 -3.019 276 HB3 CYS 38 2HB CYS 38 -2.766 -2.936 -4.299 277 HG CYS 38 HG CYS 38 -3.788 -2.564 -1.261 278 H GLN 39 H GLN 39 -0.277 -2.135 -4.725 279 HA GLN 39 HA GLN 39 -0.134 -3.742 -6.892 280 HB2 GLN 39 1HB GLN 39 0.676 -1.157 -6.229 281 HB3 GLN 39 2HB GLN 39 2.189 -1.930 -6.656 282 HG2 GLN 39 1HG GLN 39 0.528 -2.850 -8.673 283 HG3 GLN 39 2HG GLN 39 -0.145 -1.259 -8.377 284 HE21 GLN 39 1HE2 GLN 39 2.140 -2.990 -10.028 285 HE22 GLN 39 2HE2 GLN 39 3.235 -1.730 -10.493 286 H PHE 40 H PHE 40 2.437 -3.203 -4.386 287 HA PHE 40 HA PHE 40 4.411 -4.741 -5.457 288 HB2 PHE 40 1HB PHE 40 3.826 -3.389 -3.084 289 HB3 PHE 40 2HB PHE 40 3.833 -5.048 -2.518 290 HD1 PHE 40 2HD PHE 40 5.994 -6.068 -4.426 291 HD2 PHE 40 1HD PHE 40 5.763 -2.620 -1.964 292 HE1 PHE 40 2HE PHE 40 8.499 -6.006 -4.278 293 HE2 PHE 40 1HE PHE 40 8.268 -2.558 -1.816 294 HZ PHE 40 HZ PHE 40 9.606 -4.252 -2.974 295 H MET 41 H MET 41 1.604 -5.804 -3.436 296 HA MET 41 HA MET 41 2.407 -8.421 -3.152 297 HB2 MET 41 1HB MET 41 -0.127 -6.833 -2.970 298 HB3 MET 41 2HB MET 41 -0.374 -8.548 -3.232 299 HG2 MET 41 1HG MET 41 1.346 -7.362 -0.999 300 HG3 MET 41 2HG MET 41 -0.293 -7.945 -0.793 301 HE1 MET 41 1HE MET 41 -0.672 -11.106 -1.577 302 HE2 MET 41 2HE MET 41 -0.071 -11.291 0.089 303 HE3 MET 41 3HE MET 41 -1.006 -9.846 -0.365 304 H ASP 42 H ASP 42 0.015 -7.047 -5.532 305 HA ASP 42 HA ASP 42 -0.567 -9.254 -6.899 306 HB2 ASP 42 1HB ASP 42 -1.626 -7.235 -7.566 307 HB3 ASP 42 2HB ASP 42 -0.103 -6.394 -7.779 308 H MET 43 H MET 43 2.380 -7.185 -7.167 309 HA MET 43 HA MET 43 3.428 -8.427 -9.423 310 HB2 MET 43 1HB MET 43 4.106 -6.326 -7.621 311 HB3 MET 43 2HB MET 43 5.450 -7.445 -7.509 312 HG2 MET 43 1HG MET 43 4.408 -6.705 -10.253 313 HG3 MET 43 2HG MET 43 5.403 -5.547 -9.393 314 HE1 MET 43 1HE MET 43 8.731 -7.318 -8.835 315 HE2 MET 43 2HE MET 43 7.581 -6.064 -8.313 316 HE3 MET 43 3HE MET 43 7.421 -7.728 -7.702 317 H LEU 44 H LEU 44 3.507 -9.229 -5.952 318 HA LEU 44 HA LEU 44 5.491 -11.299 -6.426 319 HB2 LEU 44 1HB LEU 44 4.141 -10.286 -3.922 320 HB3 LEU 44 2HB LEU 44 5.282 -11.616 -3.955 321 HG LEU 44 HG LEU 44 5.927 -8.799 -4.868 322 HD11 LEU 44 1HD1 LEU 44 6.328 -10.151 -2.195 323 HD12 LEU 44 2HD1 LEU 44 7.268 -8.732 -2.716 324 HD13 LEU 44 3HD1 LEU 44 5.499 -8.616 -2.552 325 HD21 LEU 44 1HD2 LEU 44 8.233 -9.504 -4.863 326 HD22 LEU 44 2HD2 LEU 44 7.781 -11.119 -4.265 327 HD23 LEU 44 3HD2 LEU 44 7.285 -10.602 -5.895 328 H PHE 45 H PHE 45 2.310 -11.198 -4.669 329 HA PHE 45 HA PHE 45 1.875 -13.928 -5.593 330 HB2 PHE 45 1HB PHE 45 0.465 -12.095 -3.560 331 HB3 PHE 45 2HB PHE 45 0.060 -13.783 -3.803 332 HD1 PHE 45 1HD PHE 45 2.611 -11.474 -2.507 333 HD2 PHE 45 2HD PHE 45 1.419 -15.530 -2.873 334 HE1 PHE 45 1HE PHE 45 4.319 -12.132 -0.790 335 HE2 PHE 45 2HE PHE 45 3.127 -16.188 -1.156 336 HZ PHE 45 HZ PHE 45 4.557 -14.481 -0.135 337 HA PRO 46 HA PRO 46 -0.928 -12.108 -8.470 338 HB2 PRO 46 1HB PRO 46 -1.183 -14.296 -10.088 339 HB3 PRO 46 2HB PRO 46 0.080 -13.097 -10.289 340 HG2 PRO 46 1HG PRO 46 0.277 -15.827 -9.172 341 HG3 PRO 46 2HG PRO 46 1.557 -14.790 -9.769 342 HD2 PRO 46 1HD PRO 46 0.918 -15.320 -7.024 343 HD3 PRO 46 2HD PRO 46 2.121 -14.195 -7.622 344 H GLY 47 H GLY 47 -3.047 -11.756 -8.249 345 HA2 GLY 47 1HA GLY 47 -5.216 -12.277 -7.874 346 HA3 GLY 47 2HA GLY 47 -4.809 -13.981 -7.896 347 H SER 48 H SER 48 -3.361 -11.436 -5.785 348 HA SER 48 HA SER 48 -4.466 -12.926 -3.535 349 HB2 SER 48 1HB SER 48 -2.526 -12.159 -2.232 350 HB3 SER 48 2HB SER 48 -1.994 -12.998 -3.675 351 HG SER 48 HG SER 48 -1.780 -10.826 -4.694 352 H ILE 49 H ILE 49 -4.004 -9.774 -5.113 353 HA ILE 49 HA ILE 49 -5.657 -8.571 -3.002 354 HB ILE 49 HB ILE 49 -4.003 -6.774 -4.637 355 HG12 ILE 49 1HG1 ILE 49 -2.526 -8.813 -4.274 356 HG13 ILE 49 2HG1 ILE 49 -1.899 -7.272 -3.724 357 HG21 ILE 49 1HG2 ILE 49 -4.947 -7.029 -1.810 358 HG22 ILE 49 2HG2 ILE 49 -3.521 -6.022 -2.156 359 HG23 ILE 49 3HG2 ILE 49 -5.076 -5.665 -2.945 360 HD11 ILE 49 1HD1 ILE 49 -3.488 -8.945 -1.777 361 HD12 ILE 49 2HD1 ILE 49 -1.808 -9.408 -2.142 362 HD13 ILE 49 3HD1 ILE 49 -2.160 -7.802 -1.462 363 H ALA 50 H ALA 50 -6.541 -6.303 -4.153 364 HA ALA 50 HA ALA 50 -7.777 -7.229 -6.656 365 HB1 ALA 50 1HB ALA 50 -9.785 -7.020 -5.675 366 HB2 ALA 50 2HB ALA 50 -8.981 -6.628 -4.137 367 HB3 ALA 50 3HB ALA 50 -9.426 -5.325 -5.266 368 H LEU 51 H LEU 51 -5.614 -6.080 -7.340 369 HA LEU 51 HA LEU 51 -5.157 -3.421 -7.048 370 HB2 LEU 51 1HB LEU 51 -4.285 -5.530 -8.712 371 HB3 LEU 51 2HB LEU 51 -4.671 -4.191 -9.774 372 HG LEU 51 HG LEU 51 -2.696 -4.210 -7.482 373 HD11 LEU 51 1HD1 LEU 51 -1.599 -5.145 -9.284 374 HD12 LEU 51 2HD1 LEU 51 -2.481 -4.160 -10.475 375 HD13 LEU 51 3HD1 LEU 51 -1.209 -3.419 -9.476 376 HD21 LEU 51 1HD2 LEU 51 -2.993 -2.030 -7.208 377 HD22 LEU 51 2HD2 LEU 51 -2.483 -1.779 -8.895 378 HD23 LEU 51 3HD2 LEU 51 -4.208 -1.988 -8.507 379 H LYS 52 H LYS 52 -7.772 -5.015 -8.797 380 HA LYS 52 HA LYS 52 -8.473 -2.541 -10.146 381 HB2 LYS 52 1HB LYS 52 -8.935 -5.374 -10.571 382 HB3 LYS 52 2HB LYS 52 -10.448 -4.491 -10.601 383 HG2 LYS 52 1HG LYS 52 -8.090 -3.333 -12.092 384 HG3 LYS 52 2HG LYS 52 -8.919 -4.708 -12.793 385 HD2 LYS 52 1HD LYS 52 -10.097 -2.884 -13.714 386 HD3 LYS 52 2HD LYS 52 -11.119 -3.351 -12.369 387 HE2 LYS 52 1HE LYS 52 -10.081 -1.586 -10.946 388 HE3 LYS 52 2HE LYS 52 -9.015 -1.136 -12.262 389 HZ1 LYS 52 1HZ LYS 52 -10.621 0.061 -13.145 390 HZ2 LYS 52 2HZ LYS 52 -11.694 -1.170 -13.118 391 HZ3 LYS 52 3HZ LYS 52 -11.532 -0.199 -11.814 392 H LYS 53 H LYS 53 -8.441 -2.218 -7.380 393 HA LYS 53 HA LYS 53 -11.146 -1.448 -6.954 394 HB2 LYS 53 1HB LYS 53 -10.876 -4.016 -6.329 395 HB3 LYS 53 2HB LYS 53 -10.192 -3.360 -4.856 396 HG2 LYS 53 1HG LYS 53 -12.199 -2.184 -4.298 397 HG3 LYS 53 2HG LYS 53 -12.829 -2.300 -5.930 398 HD2 LYS 53 1HD LYS 53 -14.066 -3.980 -4.880 399 HD3 LYS 53 2HD LYS 53 -12.721 -4.917 -5.498 400 HE2 LYS 53 1HE LYS 53 -12.649 -5.651 -3.305 401 HE3 LYS 53 2HE LYS 53 -11.629 -4.238 -3.124 402 HZ1 LYS 53 1HZ LYS 53 -14.515 -4.358 -2.586 403 HZ2 LYS 53 2HZ LYS 53 -13.325 -4.237 -1.474 404 HZ3 LYS 53 3HZ LYS 53 -13.616 -2.997 -2.496 405 H VAL 54 H VAL 54 -7.872 -2.090 -5.582 406 HA VAL 54 HA VAL 54 -7.929 -0.366 -3.466 407 HB VAL 54 HB VAL 54 -6.121 -1.887 -3.894 408 HG11 VAL 54 1HG1 VAL 54 -5.077 -0.162 -6.135 409 HG12 VAL 54 2HG1 VAL 54 -4.675 -1.846 -5.723 410 HG13 VAL 54 3HG1 VAL 54 -6.250 -1.461 -6.456 411 HG21 VAL 54 1HG2 VAL 54 -5.359 1.038 -3.815 412 HG22 VAL 54 2HG2 VAL 54 -5.448 -0.129 -2.475 413 HG23 VAL 54 3HG2 VAL 54 -4.147 -0.259 -3.682 414 H LYS 55 H LYS 55 -7.310 1.857 -3.156 415 HA LYS 55 HA LYS 55 -7.792 3.455 -5.569 416 HB2 LYS 55 1HB LYS 55 -8.604 3.737 -2.714 417 HB3 LYS 55 2HB LYS 55 -8.218 5.209 -3.581 418 HG2 LYS 55 1HG LYS 55 -10.075 3.124 -4.789 419 HG3 LYS 55 2HG LYS 55 -10.680 4.329 -3.669 420 HD2 LYS 55 1HD LYS 55 -10.177 6.136 -5.128 421 HD3 LYS 55 2HD LYS 55 -9.008 5.203 -6.043 422 HE2 LYS 55 1HE LYS 55 -11.993 4.560 -6.014 423 HE3 LYS 55 2HE LYS 55 -11.252 5.602 -7.212 424 HZ1 LYS 55 1HZ LYS 55 -10.084 3.864 -8.092 425 HZ2 LYS 55 2HZ LYS 55 -10.134 2.955 -6.737 426 HZ3 LYS 55 3HZ LYS 55 -11.468 3.109 -7.666 427 H PHE 56 H PHE 56 -5.630 3.424 -6.342 428 HA PHE 56 HA PHE 56 -3.443 3.999 -4.676 429 HB2 PHE 56 1HB PHE 56 -4.124 3.978 -7.647 430 HB3 PHE 56 2HB PHE 56 -2.578 4.648 -7.165 431 HD1 PHE 56 1HD PHE 56 -4.210 1.807 -5.464 432 HD2 PHE 56 2HD PHE 56 -1.201 3.011 -8.203 433 HE1 PHE 56 1HE PHE 56 -3.229 -0.502 -5.401 434 HE2 PHE 56 2HE PHE 56 -0.220 0.702 -8.141 435 HZ PHE 56 HZ PHE 56 -1.246 -1.027 -6.741 436 H GLN 57 H GLN 57 -5.577 6.020 -6.763 437 HA GLN 57 HA GLN 57 -4.003 8.336 -6.101 438 HB2 GLN 57 1HB GLN 57 -6.025 7.610 -8.129 439 HB3 GLN 57 2HB GLN 57 -6.261 9.222 -7.485 440 HG2 GLN 57 1HG GLN 57 -3.418 8.665 -8.035 441 HG3 GLN 57 2HG GLN 57 -4.409 8.476 -9.467 442 HE21 GLN 57 1HE2 GLN 57 -3.142 10.321 -10.188 443 HE22 GLN 57 2HE2 GLN 57 -3.661 11.928 -9.807 444 H ALA 58 H ALA 58 -5.022 7.193 -3.780 445 HA ALA 58 HA ALA 58 -7.502 8.548 -3.146 446 HB1 ALA 58 1HB ALA 58 -7.565 6.514 -2.101 447 HB2 ALA 58 2HB ALA 58 -5.792 6.397 -1.989 448 HB3 ALA 58 3HB ALA 58 -6.693 7.400 -0.826 449 H LYS 59 H LYS 59 -7.641 10.502 -2.140 450 HA LYS 59 HA LYS 59 -5.117 11.596 -1.112 451 HB2 LYS 59 1HB LYS 59 -7.039 12.627 -2.986 452 HB3 LYS 59 2HB LYS 59 -7.015 13.662 -1.573 453 HG2 LYS 59 1HG LYS 59 -4.452 13.658 -1.739 454 HG3 LYS 59 2HG LYS 59 -4.623 12.844 -3.281 455 HD2 LYS 59 1HD LYS 59 -4.470 15.146 -3.860 456 HD3 LYS 59 2HD LYS 59 -6.183 14.793 -3.975 457 HE2 LYS 59 1HE LYS 59 -6.080 16.836 -2.747 458 HE3 LYS 59 2HE LYS 59 -6.382 15.612 -1.530 459 HZ1 LYS 59 1HZ LYS 59 -4.392 15.948 -0.635 460 HZ2 LYS 59 2HZ LYS 59 -3.611 16.054 -2.065 461 HZ3 LYS 59 3HZ LYS 59 -4.376 17.361 -1.454 462 H LEU 60 H LEU 60 -8.547 10.887 -0.504 463 HA LEU 60 HA LEU 60 -8.528 12.290 2.006 464 HB2 LEU 60 1HB LEU 60 -10.617 10.329 1.121 465 HB3 LEU 60 2HB LEU 60 -10.782 11.731 2.160 466 HG LEU 60 HG LEU 60 -11.710 12.658 0.337 467 HD11 LEU 60 1HD1 LEU 60 -9.083 12.975 -1.023 468 HD12 LEU 60 2HD1 LEU 60 -10.320 14.185 -0.603 469 HD13 LEU 60 3HD1 LEU 60 -9.217 13.568 0.650 470 HD21 LEU 60 1HD2 LEU 60 -10.161 11.307 -1.802 471 HD22 LEU 60 2HD2 LEU 60 -11.222 10.276 -0.813 472 HD23 LEU 60 3HD2 LEU 60 -11.900 11.670 -1.687 473 H GLU 61 H GLU 61 -8.968 11.172 4.092 474 HA GLU 61 HA GLU 61 -7.098 9.113 4.426 475 HB2 GLU 61 1HB GLU 61 -8.607 10.907 6.078 476 HB3 GLU 61 2HB GLU 61 -8.912 9.287 6.674 477 HG2 GLU 61 1HG GLU 61 -6.708 8.947 7.313 478 HG3 GLU 61 2HG GLU 61 -6.060 9.906 5.997 479 H HIS 62 H HIS 62 -10.721 9.202 4.757 480 HA HIS 62 HA HIS 62 -11.255 6.682 5.414 481 HB2 HIS 62 1HB HIS 62 -13.373 6.914 4.316 482 HB3 HIS 62 2HB HIS 62 -12.911 8.466 4.985 483 HD1 HIS 62 1HD HIS 62 -13.858 6.806 1.827 484 HD2 HIS 62 2HD HIS 62 -11.983 10.380 2.972 485 HE1 HIS 62 1HE HIS 62 -13.912 8.329 -0.219 486 H GLU 63 H GLU 63 -10.163 7.831 2.192 487 HA GLU 63 HA GLU 63 -10.614 5.479 0.830 488 HB2 GLU 63 1HB GLU 63 -8.309 7.401 0.318 489 HB3 GLU 63 2HB GLU 63 -9.107 6.371 -0.853 490 HG2 GLU 63 1HG GLU 63 -11.081 8.042 0.498 491 HG3 GLU 63 2HG GLU 63 -9.796 9.045 -0.145 492 H TYR 64 H TYR 64 -7.557 6.686 2.392 493 HA TYR 64 HA TYR 64 -5.871 4.665 1.881 494 HB2 TYR 64 1HB TYR 64 -6.456 5.935 4.628 495 HB3 TYR 64 2HB TYR 64 -4.904 5.296 4.123 496 HD1 TYR 64 1HD TYR 64 -5.779 6.676 1.193 497 HD2 TYR 64 2HD TYR 64 -4.947 7.963 5.187 498 HE1 TYR 64 1HE TYR 64 -5.118 8.971 0.323 499 HE2 TYR 64 2HE TYR 64 -4.288 10.254 4.304 500 HH TYR 64 HH TYR 64 -3.943 11.474 2.553 501 H ILE 65 H ILE 65 -8.266 4.701 4.615 502 HA ILE 65 HA ILE 65 -7.656 2.321 5.758 503 HB ILE 65 HB ILE 65 -10.271 3.744 5.347 504 HG12 ILE 65 1HG1 ILE 65 -9.855 3.887 7.954 505 HG13 ILE 65 2HG1 ILE 65 -8.189 3.590 7.500 506 HG21 ILE 65 1HG2 ILE 65 -9.821 1.015 6.372 507 HG22 ILE 65 2HG2 ILE 65 -10.785 2.073 7.431 508 HG23 ILE 65 3HG2 ILE 65 -11.299 1.789 5.751 509 HD11 ILE 65 1HD1 ILE 65 -9.609 5.635 5.850 510 HD12 ILE 65 2HD1 ILE 65 -9.312 6.076 7.549 511 HD13 ILE 65 3HD1 ILE 65 -7.948 5.643 6.490 512 H GLN 66 H GLN 66 -10.328 2.663 3.314 513 HA GLN 66 HA GLN 66 -10.797 0.089 2.875 514 HB2 GLN 66 1HB GLN 66 -10.696 2.377 0.872 515 HB3 GLN 66 2HB GLN 66 -11.322 0.796 0.448 516 HG2 GLN 66 1HG GLN 66 -12.669 1.265 2.812 517 HG3 GLN 66 2HG GLN 66 -12.511 2.898 2.197 518 HE21 GLN 66 1HE2 GLN 66 -14.613 3.206 1.686 519 HE22 GLN 66 2HE2 GLN 66 -15.455 2.378 0.418 520 H ASN 67 H ASN 67 -8.340 2.022 1.007 521 HA ASN 67 HA ASN 67 -7.365 0.215 -0.627 522 HB2 ASN 67 1HB ASN 67 -5.617 1.968 1.180 523 HB3 ASN 67 2HB ASN 67 -5.125 1.304 -0.365 524 HD21 ASN 67 1HD2 ASN 67 -4.708 3.511 -0.936 525 HD22 ASN 67 2HD2 ASN 67 -5.978 4.533 -1.520 526 H PHE 68 H PHE 68 -6.344 0.612 2.851 527 HA PHE 68 HA PHE 68 -4.621 -1.602 2.853 528 HB2 PHE 68 1HB PHE 68 -6.156 0.068 4.910 529 HB3 PHE 68 2HB PHE 68 -5.176 -1.282 5.446 530 HD1 PHE 68 2HD PHE 68 -2.691 -1.271 4.525 531 HD2 PHE 68 1HD PHE 68 -5.178 2.157 4.795 532 HE1 PHE 68 2HE PHE 68 -0.659 0.203 4.525 533 HE2 PHE 68 1HE PHE 68 -3.146 3.631 4.795 534 HZ PHE 68 HZ PHE 68 -0.911 2.636 4.660 535 H LYS 69 H LYS 69 -8.066 -1.158 3.878 536 HA LYS 69 HA LYS 69 -8.562 -3.514 5.081 537 HB2 LYS 69 1HB LYS 69 -10.353 -2.091 3.088 538 HB3 LYS 69 2HB LYS 69 -10.880 -3.281 4.260 539 HG2 LYS 69 1HG LYS 69 -9.554 -1.598 5.940 540 HG3 LYS 69 2HG LYS 69 -9.994 -0.445 4.696 541 HD2 LYS 69 1HD LYS 69 -12.094 -0.347 5.538 542 HD3 LYS 69 2HD LYS 69 -12.322 -2.042 5.154 543 HE2 LYS 69 1HE LYS 69 -10.800 -2.244 7.447 544 HE3 LYS 69 2HE LYS 69 -11.679 -0.763 7.773 545 HZ1 LYS 69 1HZ LYS 69 -12.985 -3.241 6.895 546 HZ2 LYS 69 2HZ LYS 69 -12.820 -2.815 8.463 547 HZ3 LYS 69 3HZ LYS 69 -13.712 -1.890 7.455 548 H ILE 70 H ILE 70 -8.232 -2.918 1.546 549 HA ILE 70 HA ILE 70 -8.907 -5.591 0.863 550 HB ILE 70 HB ILE 70 -7.569 -3.359 -0.666 551 HG12 ILE 70 1HG1 ILE 70 -10.415 -4.396 -0.797 552 HG13 ILE 70 2HG1 ILE 70 -9.919 -2.977 0.105 553 HG21 ILE 70 1HG2 ILE 70 -8.158 -6.181 -1.404 554 HG22 ILE 70 2HG2 ILE 70 -8.528 -4.924 -2.609 555 HG23 ILE 70 3HG2 ILE 70 -6.875 -5.084 -1.967 556 HD11 ILE 70 1HD1 ILE 70 -9.791 -3.407 -2.905 557 HD12 ILE 70 2HD1 ILE 70 -10.688 -2.157 -2.011 558 HD13 ILE 70 3HD1 ILE 70 -8.912 -2.087 -2.098 559 H LEU 71 H LEU 71 -5.776 -3.742 0.916 560 HA LEU 71 HA LEU 71 -4.109 -5.792 0.263 561 HB2 LEU 71 1HB LEU 71 -3.438 -3.472 0.474 562 HB3 LEU 71 2HB LEU 71 -3.673 -3.524 2.210 563 HG LEU 71 HG LEU 71 -1.278 -3.720 1.179 564 HD11 LEU 71 1HD1 LEU 71 -1.238 -5.768 3.166 565 HD12 LEU 71 2HD1 LEU 71 -0.805 -4.048 3.318 566 HD13 LEU 71 3HD1 LEU 71 -2.480 -4.574 3.611 567 HD21 LEU 71 1HD2 LEU 71 -1.856 -6.667 1.238 568 HD22 LEU 71 2HD2 LEU 71 -2.133 -5.725 -0.247 569 HD23 LEU 71 3HD2 LEU 71 -0.509 -5.784 0.480 570 H GLN 72 H GLN 72 -5.321 -4.911 3.565 571 HA GLN 72 HA GLN 72 -3.963 -6.748 4.994 572 HB2 GLN 72 1HB GLN 72 -5.887 -4.938 5.570 573 HB3 GLN 72 2HB GLN 72 -6.870 -6.386 5.661 574 HG2 GLN 72 1HG GLN 72 -4.246 -5.975 7.174 575 HG3 GLN 72 2HG GLN 72 -5.839 -5.750 7.869 576 HE21 GLN 72 1HE2 GLN 72 -3.334 -7.876 7.355 577 HE22 GLN 72 2HE2 GLN 72 -4.114 -9.382 7.705 578 H ALA 73 H ALA 73 -6.911 -7.227 2.992 579 HA ALA 73 HA ALA 73 -7.414 -9.860 3.849 580 HB1 ALA 73 1HB ALA 73 -8.177 -9.128 1.085 581 HB2 ALA 73 2HB ALA 73 -9.188 -9.670 2.446 582 HB3 ALA 73 3HB ALA 73 -8.697 -7.963 2.327 583 H GLY 74 H GLY 74 -5.276 -8.389 1.393 584 HA2 GLY 74 1HA GLY 74 -4.698 -10.567 -0.193 585 HA3 GLY 74 2HA GLY 74 -3.590 -9.265 0.190 586 H PHE 75 H PHE 75 -3.844 -9.946 3.192 587 HA PHE 75 HA PHE 75 -1.724 -11.899 3.157 588 HB2 PHE 75 1HB PHE 75 -3.142 -10.077 5.163 589 HB3 PHE 75 2HB PHE 75 -2.062 -11.323 5.756 590 HD1 PHE 75 1HD PHE 75 -1.044 -10.049 2.584 591 HD2 PHE 75 2HD PHE 75 -0.896 -9.273 6.753 592 HE1 PHE 75 1HE PHE 75 0.914 -8.520 2.229 593 HE2 PHE 75 2HE PHE 75 1.063 -7.744 6.399 594 HZ PHE 75 HZ PHE 75 1.944 -7.385 4.141 595 H LYS 76 H LYS 76 -4.903 -11.508 4.891 596 HA LYS 76 HA LYS 76 -4.906 -14.078 5.957 597 HB2 LYS 76 1HB LYS 76 -7.072 -13.600 6.674 598 HB3 LYS 76 2HB LYS 76 -6.310 -12.025 6.585 599 HG2 LYS 76 1HG LYS 76 -7.956 -11.347 5.184 600 HG3 LYS 76 2HG LYS 76 -7.364 -12.480 3.985 601 HD2 LYS 76 1HD LYS 76 -9.558 -13.238 4.222 602 HD3 LYS 76 2HD LYS 76 -8.749 -14.264 5.389 603 HE2 LYS 76 1HE LYS 76 -10.701 -13.369 6.495 604 HE3 LYS 76 2HE LYS 76 -9.316 -12.550 7.188 605 HZ1 LYS 76 1HZ LYS 76 -10.694 -11.384 4.897 606 HZ2 LYS 76 2HZ LYS 76 -11.296 -11.183 6.401 607 HZ3 LYS 76 3HZ LYS 76 -9.799 -10.639 6.042 608 H ARG 77 H ARG 77 -5.310 -12.961 2.703 609 HA ARG 77 HA ARG 77 -7.006 -15.062 1.889 610 HB2 ARG 77 1HB ARG 77 -5.387 -12.905 0.533 611 HB3 ARG 77 2HB ARG 77 -5.905 -14.258 -0.452 612 HG2 ARG 77 1HG ARG 77 -8.282 -13.866 0.408 613 HG3 ARG 77 2HG ARG 77 -7.699 -12.406 1.182 614 HD2 ARG 77 1HD ARG 77 -6.790 -11.737 -1.178 615 HD3 ARG 77 2HD ARG 77 -7.808 -13.022 -1.798 616 HE ARG 77 HE ARG 77 -9.224 -11.195 0.005 617 HH11 ARG 77 2HH2 ARG 77 -8.240 -11.778 -3.323 618 HH12 ARG 77 1HH2 ARG 77 -9.489 -10.788 -4.000 619 HH21 ARG 77 2HH1 ARG 77 -10.873 -9.889 -0.888 620 HH22 ARG 77 1HH1 ARG 77 -10.997 -9.706 -2.606 621 H MET 78 H MET 78 -3.458 -14.389 1.832 622 HA MET 78 HA MET 78 -2.986 -16.943 0.589 623 HB2 MET 78 1HB MET 78 -1.038 -14.802 1.611 624 HB3 MET 78 2HB MET 78 -0.605 -16.157 0.586 625 HG2 MET 78 1HG MET 78 -2.402 -13.799 -0.134 626 HG3 MET 78 2HG MET 78 -0.856 -14.212 -0.849 627 HE1 MET 78 1HE MET 78 -0.574 -15.421 -2.857 628 HE2 MET 78 2HE MET 78 -0.590 -16.920 -1.898 629 HE3 MET 78 3HE MET 78 -1.530 -16.818 -3.406 630 H GLY 79 H GLY 79 -1.648 -15.219 3.508 631 HA2 GLY 79 1HA GLY 79 -2.244 -16.791 5.540 632 HA3 GLY 79 2HA GLY 79 -1.070 -17.810 4.730 633 H VAL 80 H VAL 80 -1.507 -14.376 5.839 634 HA VAL 80 HA VAL 80 1.324 -14.439 6.627 635 HB VAL 80 HB VAL 80 -0.320 -12.226 5.400 636 HG11 VAL 80 1HG1 VAL 80 1.051 -11.452 7.382 637 HG12 VAL 80 2HG1 VAL 80 2.500 -11.945 6.474 638 HG13 VAL 80 3HG1 VAL 80 1.437 -10.671 5.830 639 HG21 VAL 80 1HG2 VAL 80 0.568 -13.356 3.610 640 HG22 VAL 80 2HG2 VAL 80 1.911 -12.241 3.959 641 HG23 VAL 80 3HG2 VAL 80 1.983 -13.926 4.526 642 H ASP 81 H ASP 81 1.350 -14.701 8.806 643 HA ASP 81 HA ASP 81 -0.836 -13.973 10.387 644 HB2 ASP 81 1HB ASP 81 1.824 -15.189 10.725 645 HB3 ASP 81 2HB ASP 81 1.421 -14.149 12.077 646 H LYS 82 H LYS 82 -0.886 -11.622 9.493 647 HA LYS 82 HA LYS 82 0.597 -9.937 11.333 648 HB2 LYS 82 1HB LYS 82 2.105 -9.953 9.474 649 HB3 LYS 82 2HB LYS 82 0.806 -9.721 8.321 650 HG2 LYS 82 1HG LYS 82 1.708 -7.546 8.551 651 HG3 LYS 82 2HG LYS 82 0.305 -7.503 9.600 652 HD2 LYS 82 1HD LYS 82 1.646 -7.770 11.586 653 HD3 LYS 82 2HD LYS 82 3.056 -8.255 10.665 654 HE2 LYS 82 1HE LYS 82 3.186 -5.972 9.652 655 HE3 LYS 82 2HE LYS 82 1.767 -5.485 10.558 656 HZ1 LYS 82 1HZ LYS 82 3.064 -5.072 12.267 657 HZ2 LYS 82 2HZ LYS 82 3.606 -6.612 12.315 658 HZ3 LYS 82 3HZ LYS 82 4.389 -5.498 11.413 659 H ILE 83 H ILE 83 -0.597 -8.173 12.012 660 HA ILE 83 HA ILE 83 -3.213 -7.890 10.704 661 HB ILE 83 HB ILE 83 -2.439 -7.708 13.611 662 HG12 ILE 83 1HG1 ILE 83 -3.813 -9.691 11.909 663 HG13 ILE 83 2HG1 ILE 83 -2.912 -9.907 13.397 664 HG21 ILE 83 1HG2 ILE 83 -3.916 -5.829 13.040 665 HG22 ILE 83 2HG2 ILE 83 -5.096 -6.971 12.352 666 HG23 ILE 83 3HG2 ILE 83 -4.721 -7.019 14.092 667 HD11 ILE 83 1HD1 ILE 83 -5.745 -8.784 13.198 668 HD12 ILE 83 2HD1 ILE 83 -5.309 -10.423 13.737 669 HD13 ILE 83 3HD1 ILE 83 -4.830 -9.010 14.707 670 H ILE 84 H ILE 84 -2.622 -6.261 9.244 671 HA ILE 84 HA ILE 84 -0.979 -4.125 9.812 672 HB ILE 84 HB ILE 84 -3.315 -4.372 7.917 673 HG12 ILE 84 1HG1 ILE 84 -0.333 -4.790 7.572 674 HG13 ILE 84 2HG1 ILE 84 -1.585 -6.015 7.499 675 HG21 ILE 84 1HG2 ILE 84 -2.507 -1.986 8.600 676 HG22 ILE 84 2HG2 ILE 84 -1.106 -2.370 7.572 677 HG23 ILE 84 3HG2 ILE 84 -2.747 -2.389 6.883 678 HD11 ILE 84 1HD1 ILE 84 -2.534 -4.222 5.639 679 HD12 ILE 84 2HD1 ILE 84 -0.776 -4.010 5.457 680 HD13 ILE 84 3HD1 ILE 84 -1.505 -5.620 5.246 681 HA PRO 85 HA PRO 85 -3.344 -1.710 12.507 682 HB2 PRO 85 1HB PRO 85 -1.964 0.644 12.358 683 HB3 PRO 85 2HB PRO 85 -1.457 -0.702 13.359 684 HG2 PRO 85 1HG PRO 85 -0.330 0.223 10.788 685 HG3 PRO 85 2HG PRO 85 0.398 -0.820 11.994 686 HD2 PRO 85 1HD PRO 85 -0.751 -1.630 9.493 687 HD3 PRO 85 2HD PRO 85 -0.129 -2.681 10.750 688 H VAL 86 H VAL 86 -2.491 -0.060 9.505 689 HA VAL 86 HA VAL 86 -3.728 1.119 8.103 690 HB VAL 86 HB VAL 86 -6.030 -0.242 9.515 691 HG11 VAL 86 1HG1 VAL 86 -6.011 1.220 6.852 692 HG12 VAL 86 2HG1 VAL 86 -7.385 0.339 7.564 693 HG13 VAL 86 3HG1 VAL 86 -6.763 1.807 8.355 694 HG21 VAL 86 1HG2 VAL 86 -4.282 -0.970 7.177 695 HG22 VAL 86 2HG2 VAL 86 -4.822 -1.971 8.546 696 HG23 VAL 86 3HG2 VAL 86 -5.964 -1.547 7.249 697 H ASP 87 H ASP 87 -5.862 1.170 11.044 698 HA ASP 87 HA ASP 87 -6.618 3.716 10.904 699 HB2 ASP 87 1HB ASP 87 -6.701 1.685 12.821 700 HB3 ASP 87 2HB ASP 87 -5.827 2.951 13.660 701 H LYS 88 H LYS 88 -3.422 2.432 11.689 702 HA LYS 88 HA LYS 88 -2.524 4.977 12.771 703 HB2 LYS 88 1HB LYS 88 -0.836 2.508 12.370 704 HB3 LYS 88 2HB LYS 88 -0.593 3.832 13.491 705 HG2 LYS 88 1HG LYS 88 -2.560 3.167 14.802 706 HG3 LYS 88 2HG LYS 88 -2.997 1.954 13.615 707 HD2 LYS 88 1HD LYS 88 -1.891 0.655 15.229 708 HD3 LYS 88 2HD LYS 88 -0.602 0.961 14.082 709 HE2 LYS 88 1HE LYS 88 0.601 1.819 15.808 710 HE3 LYS 88 2HE LYS 88 -0.490 3.190 15.793 711 HZ1 LYS 88 1HZ LYS 88 -0.233 1.247 17.745 712 HZ2 LYS 88 2HZ LYS 88 -1.237 2.535 17.738 713 HZ3 LYS 88 3HZ LYS 88 -1.738 1.105 17.128 714 H LEU 89 H LEU 89 -2.221 2.857 9.897 715 HA LEU 89 HA LEU 89 -0.200 4.464 8.702 716 HB2 LEU 89 1HB LEU 89 -2.037 2.363 7.544 717 HB3 LEU 89 2HB LEU 89 -0.672 3.083 6.712 718 HG LEU 89 HG LEU 89 -0.416 1.535 9.302 719 HD11 LEU 89 1HD1 LEU 89 0.303 -0.377 7.989 720 HD12 LEU 89 2HD1 LEU 89 -1.350 0.099 7.534 721 HD13 LEU 89 3HD1 LEU 89 0.019 0.522 6.478 722 HD21 LEU 89 1HD2 LEU 89 1.988 1.318 8.207 723 HD22 LEU 89 2HD2 LEU 89 1.504 2.842 7.425 724 HD23 LEU 89 3HD2 LEU 89 1.530 2.722 9.201 725 H VAL 90 H VAL 90 -3.627 4.741 9.145 726 HA VAL 90 HA VAL 90 -3.814 6.592 6.884 727 HB VAL 90 HB VAL 90 -6.172 6.345 7.061 728 HG11 VAL 90 1HG1 VAL 90 -6.211 3.636 7.214 729 HG12 VAL 90 2HG1 VAL 90 -5.634 4.544 5.796 730 HG13 VAL 90 3HG1 VAL 90 -4.469 3.918 6.988 731 HG21 VAL 90 1HG2 VAL 90 -6.944 4.560 8.900 732 HG22 VAL 90 2HG2 VAL 90 -5.541 5.238 9.760 733 HG23 VAL 90 3HG2 VAL 90 -6.865 6.306 9.237 734 H LYS 91 H LYS 91 -2.566 6.810 9.802 735 HA LYS 91 HA LYS 91 -4.055 9.237 10.521 736 HB2 LYS 91 1HB LYS 91 -2.685 7.128 12.151 737 HB3 LYS 91 2HB LYS 91 -2.720 8.769 12.762 738 HG2 LYS 91 1HG LYS 91 -5.275 7.517 11.719 739 HG3 LYS 91 2HG LYS 91 -4.705 7.098 13.322 740 HD2 LYS 91 1HD LYS 91 -5.869 8.957 13.979 741 HD3 LYS 91 2HD LYS 91 -4.452 9.829 13.431 742 HE2 LYS 91 1HE LYS 91 -5.558 10.737 11.648 743 HE3 LYS 91 2HE LYS 91 -6.291 9.207 11.209 744 HZ1 LYS 91 1HZ LYS 91 -7.307 10.378 13.620 745 HZ2 LYS 91 2HZ LYS 91 -7.618 11.236 12.266 746 HZ3 LYS 91 3HZ LYS 91 -8.110 9.683 12.379 747 H GLY 92 H GLY 92 -1.202 7.978 9.104 748 HA2 GLY 92 1HA GLY 92 0.726 8.928 8.454 749 HA3 GLY 92 2HA GLY 92 -0.079 10.477 8.610 750 H LYS 93 H LYS 93 1.123 7.879 10.867 751 HA LYS 93 HA LYS 93 2.042 9.993 12.648 752 HB2 LYS 93 1HB LYS 93 1.321 7.110 12.942 753 HB3 LYS 93 2HB LYS 93 2.534 7.754 14.029 754 HG2 LYS 93 1HG LYS 93 0.590 9.761 14.043 755 HG3 LYS 93 2HG LYS 93 -0.375 8.303 13.919 756 HD2 LYS 93 1HD LYS 93 -0.130 8.115 16.174 757 HD3 LYS 93 2HD LYS 93 1.509 7.590 15.844 758 HE2 LYS 93 1HE LYS 93 1.837 9.373 17.359 759 HE3 LYS 93 2HE LYS 93 2.113 10.138 15.806 760 HZ1 LYS 93 1HZ LYS 93 -0.294 10.280 17.464 761 HZ2 LYS 93 2HZ LYS 93 0.646 11.508 16.939 762 HZ3 LYS 93 3HZ LYS 93 -0.317 10.710 15.889 763 H PHE 94 H PHE 94 3.212 8.784 9.914 764 HA PHE 94 HA PHE 94 5.215 8.477 9.049 765 HB2 PHE 94 1HB PHE 94 5.711 10.648 10.125 766 HB3 PHE 94 2HB PHE 94 5.907 9.884 11.690 767 HD1 PHE 94 1HD PHE 94 7.417 10.083 8.304 768 HD2 PHE 94 2HD PHE 94 8.016 9.154 12.401 769 HE1 PHE 94 1HE PHE 94 9.886 9.884 7.898 770 HE2 PHE 94 2HE PHE 94 10.485 8.955 11.995 771 HZ PHE 94 HZ PHE 94 11.391 9.322 9.748 772 H GLN 95 H GLN 95 6.221 8.170 12.516 773 HA GLN 95 HA GLN 95 7.905 6.112 12.170 774 HB2 GLN 95 1HB GLN 95 6.786 7.491 14.345 775 HB3 GLN 95 2HB GLN 95 6.377 5.818 14.668 776 HG2 GLN 95 1HG GLN 95 8.487 5.608 15.494 777 HG3 GLN 95 2HG GLN 95 9.024 5.613 13.826 778 HE21 GLN 95 1HE2 GLN 95 8.828 7.328 16.796 779 HE22 GLN 95 2HE2 GLN 95 9.737 8.736 16.359 780 H ASP 96 H ASP 96 4.428 5.781 13.206 781 HA ASP 96 HA ASP 96 4.358 3.064 13.200 782 HB2 ASP 96 1HB ASP 96 2.435 5.286 13.072 783 HB3 ASP 96 2HB ASP 96 1.838 3.883 12.209 784 H ASN 97 H ASN 97 4.645 5.322 10.551 785 HA ASN 97 HA ASN 97 3.548 3.496 8.627 786 HB2 ASN 97 1HB ASN 97 4.173 6.339 8.751 787 HB3 ASN 97 2HB ASN 97 4.983 5.648 7.359 788 HD21 ASN 97 1HD2 ASN 97 2.026 6.612 8.768 789 HD22 ASN 97 2HD2 ASN 97 0.949 6.205 7.473 790 H PHE 98 H PHE 98 6.577 4.327 10.165 791 HA PHE 98 HA PHE 98 8.147 3.202 7.984 792 HB2 PHE 98 1HB PHE 98 8.685 5.384 9.290 793 HB3 PHE 98 2HB PHE 98 8.947 4.388 10.708 794 HD1 PHE 98 2HD PHE 98 10.610 2.295 10.160 795 HD2 PHE 98 1HD PHE 98 10.579 6.045 8.174 796 HE1 PHE 98 2HE PHE 98 13.002 1.954 9.478 797 HE2 PHE 98 1HE PHE 98 12.971 5.704 7.492 798 HZ PHE 98 HZ PHE 98 14.153 3.662 8.153 799 H GLU 99 H GLU 99 7.300 2.690 11.453 800 HA GLU 99 HA GLU 99 9.001 0.467 11.712 801 HB2 GLU 99 1HB GLU 99 6.578 1.283 13.379 802 HB3 GLU 99 2HB GLU 99 7.788 0.110 13.860 803 HG2 GLU 99 1HG GLU 99 8.545 2.962 13.106 804 HG3 GLU 99 2HG GLU 99 8.059 2.543 14.737 805 H PHE 100 H PHE 100 6.250 0.892 9.854 806 HA PHE 100 HA PHE 100 5.290 -1.831 10.306 807 HB2 PHE 100 1HB PHE 100 3.551 -0.119 10.293 808 HB3 PHE 100 2HB PHE 100 4.287 0.719 8.941 809 HD1 PHE 100 2HD PHE 100 4.067 -0.194 6.652 810 HD2 PHE 100 1HD PHE 100 2.056 -1.958 9.945 811 HE1 PHE 100 2HE PHE 100 2.544 -1.410 5.070 812 HE2 PHE 100 1HE PHE 100 0.532 -3.174 8.364 813 HZ PHE 100 HZ PHE 100 0.794 -2.885 5.945 814 H VAL 101 H VAL 101 6.385 0.435 7.695 815 HA VAL 101 HA VAL 101 6.240 -1.441 5.632 816 HB VAL 101 HB VAL 101 6.346 0.970 5.314 817 HG11 VAL 101 1HG1 VAL 101 8.242 2.307 5.753 818 HG12 VAL 101 2HG1 VAL 101 8.037 1.306 7.211 819 HG13 VAL 101 3HG1 VAL 101 9.288 0.890 6.015 820 HG21 VAL 101 1HG2 VAL 101 6.923 0.064 3.307 821 HG22 VAL 101 2HG2 VAL 101 8.474 0.859 3.669 822 HG23 VAL 101 3HG2 VAL 101 8.269 -0.879 3.992 823 H GLN 102 H GLN 102 9.071 -0.333 7.627 824 HA GLN 102 HA GLN 102 11.020 -1.777 6.597 825 HB2 GLN 102 1HB GLN 102 11.896 -2.036 8.998 826 HB3 GLN 102 2HB GLN 102 11.501 -0.408 8.484 827 HG2 GLN 102 1HG GLN 102 10.185 -0.273 10.333 828 HG3 GLN 102 2HG GLN 102 9.063 -1.329 9.497 829 HE21 GLN 102 1HE2 GLN 102 11.247 -0.960 12.076 830 HE22 GLN 102 2HE2 GLN 102 11.175 -2.555 12.746 831 H TRP 103 H TRP 103 8.465 -3.052 8.812 832 HA TRP 103 HA TRP 103 9.540 -5.653 8.960 833 HB2 TRP 103 1HB TRP 103 8.059 -4.909 10.656 834 HB3 TRP 103 2HB TRP 103 6.808 -4.498 9.499 835 HD1 TRP 103 HD TRP 103 8.260 -7.523 11.352 836 HE1 TRP 103 1HE TRP 103 6.717 -9.649 11.096 837 HE3 TRP 103 3HE TRP 103 5.173 -5.509 7.850 838 HZ2 TRP 103 2HZ TRP 103 4.430 -10.236 9.493 839 HZ3 TRP 103 3HZ TRP 103 3.310 -6.926 6.991 840 HH2 TRP 103 HH TRP 103 2.914 -9.214 7.756 841 H PHE 104 H PHE 104 6.657 -4.334 7.159 842 HA PHE 104 HA PHE 104 5.939 -6.431 5.701 843 HB2 PHE 104 1HB PHE 104 5.953 -3.511 5.510 844 HB3 PHE 104 2HB PHE 104 6.202 -4.163 3.902 845 HD1 PHE 104 2HD PHE 104 3.923 -4.357 6.829 846 HD2 PHE 104 1HD PHE 104 4.391 -4.968 2.656 847 HE1 PHE 104 2HE PHE 104 1.456 -4.765 6.613 848 HE2 PHE 104 1HE PHE 104 1.924 -5.376 2.439 849 HZ PHE 104 HZ PHE 104 0.486 -5.270 4.420 850 H LYS 105 H LYS 105 8.879 -4.440 5.155 851 HA LYS 105 HA LYS 105 9.504 -5.651 2.671 852 HB2 LYS 105 1HB LYS 105 10.250 -3.378 3.531 853 HB3 LYS 105 2HB LYS 105 11.395 -4.222 4.553 854 HG2 LYS 105 1HG LYS 105 11.570 -5.298 1.860 855 HG3 LYS 105 2HG LYS 105 11.677 -3.550 1.781 856 HD2 LYS 105 1HD LYS 105 13.331 -4.010 3.913 857 HD3 LYS 105 2HD LYS 105 13.553 -5.515 3.044 858 HE2 LYS 105 1HE LYS 105 14.170 -4.277 0.986 859 HE3 LYS 105 2HE LYS 105 13.851 -2.748 1.780 860 HZ1 LYS 105 1HZ LYS 105 16.217 -3.955 1.736 861 HZ2 LYS 105 2HZ LYS 105 15.777 -2.854 2.859 862 HZ3 LYS 105 3HZ LYS 105 15.666 -4.449 3.192 863 H LYS 106 H LYS 106 11.055 -5.955 5.950 864 HA LYS 106 HA LYS 106 12.762 -7.961 5.453 865 HB2 LYS 106 1HB LYS 106 11.397 -6.881 7.770 866 HB3 LYS 106 2HB LYS 106 11.619 -8.610 7.945 867 HG2 LYS 106 1HG LYS 106 13.610 -7.553 8.821 868 HG3 LYS 106 2HG LYS 106 14.059 -8.305 7.303 869 HD2 LYS 106 1HD LYS 106 15.019 -6.184 7.052 870 HD3 LYS 106 2HD LYS 106 13.480 -5.951 6.248 871 HE2 LYS 106 1HE LYS 106 12.992 -4.275 7.694 872 HE3 LYS 106 2HE LYS 106 13.004 -5.425 9.017 873 HZ1 LYS 106 1HZ LYS 106 14.626 -3.496 9.073 874 HZ2 LYS 106 2HZ LYS 106 15.202 -4.974 9.461 875 HZ3 LYS 106 3HZ LYS 106 15.512 -4.337 7.990 876 H PHE 107 H PHE 107 9.238 -8.349 6.207 877 HA PHE 107 HA PHE 107 9.262 -11.136 6.023 878 HB2 PHE 107 1HB PHE 107 7.516 -9.343 6.914 879 HB3 PHE 107 2HB PHE 107 6.978 -9.243 5.249 880 HD1 PHE 107 2HD PHE 107 6.397 -11.570 4.136 881 HD2 PHE 107 1HD PHE 107 6.488 -10.863 8.319 882 HE1 PHE 107 2HE PHE 107 4.896 -13.548 4.503 883 HE2 PHE 107 1HE PHE 107 4.987 -12.840 8.686 884 HZ PHE 107 HZ PHE 107 4.209 -14.160 6.774 885 H PHE 108 H PHE 108 8.565 -8.547 3.593 886 HA PHE 108 HA PHE 108 7.709 -10.179 1.547 887 HB2 PHE 108 1HB PHE 108 8.881 -7.476 2.004 888 HB3 PHE 108 2HB PHE 108 9.259 -8.092 0.407 889 HD1 PHE 108 1HD PHE 108 6.208 -8.242 2.567 890 HD2 PHE 108 2HD PHE 108 7.882 -7.161 -1.179 891 HE1 PHE 108 1HE PHE 108 3.939 -7.535 1.757 892 HE2 PHE 108 2HE PHE 108 5.614 -6.455 -1.989 893 HZ PHE 108 HZ PHE 108 3.670 -6.650 -0.512 894 H ASP 109 H ASP 109 11.009 -9.476 2.726 895 HA ASP 109 HA ASP 109 12.123 -10.833 0.445 896 HB2 ASP 109 1HB ASP 109 13.006 -8.802 2.193 897 HB3 ASP 109 2HB ASP 109 13.965 -10.194 2.655 898 H SER 110 H SER 110 10.380 -12.183 2.561 899 HA SER 110 HA SER 110 11.646 -13.528 4.468 900 HB2 SER 110 1HB SER 110 9.231 -13.825 2.987 901 HB3 SER 110 2HB SER 110 9.975 -15.412 3.003 902 HG SER 110 HG SER 110 8.849 -15.401 4.897 903 H GLY 111 H GLY 111 13.425 -14.849 4.574 904 HA2 GLY 111 1HA GLY 111 13.895 -16.919 2.675 905 HA3 GLY 111 2HA GLY 111 14.969 -15.561 2.402 906 HA PRO 112 HA PRO 112 15.876 -17.586 6.623 907 HB2 PRO 112 1HB PRO 112 15.311 -20.253 6.810 908 HB3 PRO 112 2HB PRO 112 14.264 -19.004 7.454 909 HG2 PRO 112 1HG PRO 112 13.913 -20.643 5.019 910 HG3 PRO 112 2HG PRO 112 12.715 -19.717 5.900 911 HD2 PRO 112 1HD PRO 112 13.970 -18.987 3.427 912 HD3 PRO 112 2HD PRO 112 12.860 -18.010 4.367 913 H SER 113 H SER 113 17.744 -18.827 7.391 914 HA SER 113 HA SER 113 19.420 -19.241 5.089 915 HB2 SER 113 1HB SER 113 19.926 -18.011 7.438 916 HB3 SER 113 2HB SER 113 20.424 -19.627 7.897 917 HG SER 113 HG SER 113 21.890 -19.648 6.072 918 H SER 114 H SER 114 19.532 -21.264 4.190 919 HA SER 114 HA SER 114 19.604 -23.496 6.041 920 HB2 SER 114 1HB SER 114 18.120 -24.812 4.496 921 HB3 SER 114 2HB SER 114 17.300 -23.475 5.278 922 HG SER 114 HG SER 114 17.738 -22.208 3.283 923 H GLY 115 H GLY 115 19.720 -22.624 2.502 924 HA2 GLY 115 1HA GLY 115 21.610 -22.758 1.163 925 HA3 GLY 115 2HA GLY 115 22.399 -23.787 2.343 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 22.162 16.022 -8.147 2 HA2 GLY 1 1HA GLY 1 19.725 16.416 -6.565 3 HA3 GLY 1 2HA GLY 1 19.989 16.872 -8.236 4 H SER 2 H SER 2 17.969 15.038 -6.663 5 HA SER 2 HA SER 2 16.930 13.141 -6.927 6 HB2 SER 2 1HB SER 2 16.491 12.441 -9.292 7 HB3 SER 2 2HB SER 2 16.266 14.159 -9.034 8 HG SER 2 HG SER 2 17.749 13.089 -10.908 9 H SER 3 H SER 3 18.247 11.706 -5.694 10 HA SER 3 HA SER 3 19.704 9.844 -7.344 11 HB2 SER 3 1HB SER 3 21.039 11.803 -5.760 12 HB3 SER 3 2HB SER 3 21.208 10.290 -4.892 13 HG SER 3 HG SER 3 21.968 10.835 -7.630 14 H GLY 4 H GLY 4 20.264 7.802 -6.013 15 HA2 GLY 4 1HA GLY 4 18.828 7.452 -3.531 16 HA3 GLY 4 2HA GLY 4 18.096 6.638 -4.900 17 H SER 5 H SER 5 20.498 6.454 -2.456 18 HA SER 5 HA SER 5 21.108 3.867 -2.904 19 HB2 SER 5 1HB SER 5 22.724 5.681 -4.611 20 HB3 SER 5 2HB SER 5 23.681 4.554 -3.670 21 HG SER 5 HG SER 5 23.214 3.381 -5.475 22 H SER 6 H SER 6 22.825 6.999 -2.216 23 HA SER 6 HA SER 6 24.470 6.083 -0.256 24 HB2 SER 6 1HB SER 6 23.608 8.614 -1.286 25 HB3 SER 6 2HB SER 6 23.501 8.718 0.460 26 HG SER 6 HG SER 6 25.814 7.522 0.087 27 H GLY 7 H GLY 7 21.081 7.343 0.008 28 HA2 GLY 7 1HA GLY 7 20.674 7.448 2.675 29 HA3 GLY 7 2HA GLY 7 19.479 6.871 1.531 30 H GLN 8 H GLN 8 20.359 6.046 4.404 31 HA GLN 8 HA GLN 8 20.666 3.219 3.748 32 HB2 GLN 8 1HB GLN 8 21.879 4.845 6.009 33 HB3 GLN 8 2HB GLN 8 21.721 3.104 6.130 34 HG2 GLN 8 1HG GLN 8 22.991 4.304 3.656 35 HG3 GLN 8 2HG GLN 8 23.934 4.181 5.127 36 HE21 GLN 8 1HE2 GLN 8 24.044 2.073 6.189 37 HE22 GLN 8 2HE2 GLN 8 24.075 0.631 5.229 38 H ARG 9 H ARG 9 19.209 5.727 5.864 39 HA ARG 9 HA ARG 9 17.330 3.680 6.735 40 HB2 ARG 9 1HB ARG 9 18.204 4.399 8.771 41 HB3 ARG 9 2HB ARG 9 18.635 5.981 8.152 42 HG2 ARG 9 1HG ARG 9 16.526 6.882 8.562 43 HG3 ARG 9 2HG ARG 9 15.700 5.357 8.308 44 HD2 ARG 9 1HD ARG 9 15.530 5.310 10.593 45 HD3 ARG 9 2HD ARG 9 17.189 4.748 10.548 46 HE ARG 9 HE ARG 9 17.063 7.649 10.462 47 HH11 ARG 9 2HH2 ARG 9 16.857 4.889 12.636 48 HH12 ARG 9 1HH2 ARG 9 17.354 5.788 14.030 49 HH21 ARG 9 2HH1 ARG 9 17.719 8.835 12.302 50 HH22 ARG 9 1HH1 ARG 9 17.848 8.047 13.839 51 H ARG 10 H ARG 10 15.076 4.148 6.560 52 HA ARG 10 HA ARG 10 13.259 5.202 5.999 53 HB2 ARG 10 1HB ARG 10 14.991 7.423 6.598 54 HB3 ARG 10 2HB ARG 10 14.133 7.832 5.126 55 HG2 ARG 10 1HG ARG 10 12.156 6.673 6.782 56 HG3 ARG 10 2HG ARG 10 13.118 7.647 7.877 57 HD2 ARG 10 1HD ARG 10 11.664 8.567 5.361 58 HD3 ARG 10 2HD ARG 10 11.386 9.094 7.009 59 HE ARG 10 HE ARG 10 14.017 9.789 6.630 60 HH11 ARG 10 2HH2 ARG 10 11.113 10.366 4.729 61 HH12 ARG 10 1HH2 ARG 10 11.690 11.858 4.065 62 HH21 ARG 10 2HH1 ARG 10 14.779 11.758 5.754 63 HH22 ARG 10 1HH1 ARG 10 13.789 12.655 4.652 64 H HIS 11 H HIS 11 15.940 6.644 3.986 65 HA HIS 11 HA HIS 11 14.410 6.545 1.624 66 HB2 HIS 11 1HB HIS 11 16.134 8.179 1.841 67 HB3 HIS 11 2HB HIS 11 17.349 6.965 2.188 68 HD1 HIS 11 1HD HIS 11 18.329 5.612 0.176 69 HD2 HIS 11 2HD HIS 11 15.489 8.506 -0.898 70 HE1 HIS 11 1HE HIS 11 18.502 5.878 -2.355 71 H ASP 12 H ASP 12 15.802 4.092 3.493 72 HA ASP 12 HA ASP 12 16.860 2.486 1.469 73 HB2 ASP 12 1HB ASP 12 17.116 2.338 4.064 74 HB3 ASP 12 2HB ASP 12 15.589 1.480 4.046 75 H MET 13 H MET 13 13.627 2.921 2.987 76 HA MET 13 HA MET 13 12.532 0.678 1.603 77 HB2 MET 13 1HB MET 13 10.933 2.899 2.946 78 HB3 MET 13 2HB MET 13 10.535 1.196 2.845 79 HG2 MET 13 1HG MET 13 13.078 1.412 4.192 80 HG3 MET 13 2HG MET 13 11.992 2.573 4.928 81 HE1 MET 13 1HE MET 13 10.071 -1.011 3.590 82 HE2 MET 13 2HE MET 13 11.696 -0.538 3.039 83 HE3 MET 13 3HE MET 13 11.508 -1.827 4.252 84 H LEU 14 H LEU 14 12.234 4.290 1.455 85 HA LEU 14 HA LEU 14 10.351 4.574 -0.450 86 HB2 LEU 14 1HB LEU 14 12.911 6.163 -0.454 87 HB3 LEU 14 2HB LEU 14 11.313 6.682 -0.952 88 HG LEU 14 HG LEU 14 12.391 6.282 1.828 89 HD11 LEU 14 1HD1 LEU 14 11.523 8.526 0.141 90 HD12 LEU 14 2HD1 LEU 14 10.873 8.563 1.797 91 HD13 LEU 14 3HD1 LEU 14 12.632 8.488 1.533 92 HD21 LEU 14 1HD2 LEU 14 9.536 6.049 0.940 93 HD22 LEU 14 2HD2 LEU 14 10.428 5.134 2.180 94 HD23 LEU 14 3HD2 LEU 14 9.917 6.807 2.505 95 H ALA 15 H ALA 15 13.834 3.763 -0.969 96 HA ALA 15 HA ALA 15 13.620 3.732 -3.783 97 HB1 ALA 15 1HB ALA 15 15.624 2.181 -2.119 98 HB2 ALA 15 2HB ALA 15 15.850 2.933 -3.717 99 HB3 ALA 15 3HB ALA 15 15.699 3.953 -2.266 100 H TRP 16 H TRP 16 13.314 1.244 -1.191 101 HA TRP 16 HA TRP 16 13.269 -1.031 -2.669 102 HB2 TRP 16 1HB TRP 16 13.116 -0.871 -0.210 103 HB3 TRP 16 2HB TRP 16 11.448 -0.354 -0.352 104 HD1 TRP 16 HD TRP 16 13.437 -3.444 -1.733 105 HE1 TRP 16 1HE TRP 16 12.024 -5.651 -1.426 106 HE3 TRP 16 3HE TRP 16 9.405 -1.192 0.396 107 HZ2 TRP 16 2HZ TRP 16 9.437 -6.196 -0.352 108 HZ3 TRP 16 3HZ TRP 16 7.478 -2.634 1.044 109 HH2 TRP 16 HH TRP 16 7.450 -5.054 0.701 110 H ILE 17 H ILE 17 10.245 0.736 -1.671 111 HA ILE 17 HA ILE 17 8.596 -0.535 -3.478 112 HB ILE 17 HB ILE 17 8.421 2.186 -2.187 113 HG12 ILE 17 1HG1 ILE 17 6.530 0.459 -1.090 114 HG13 ILE 17 2HG1 ILE 17 7.945 -0.555 -1.294 115 HG21 ILE 17 1HG2 ILE 17 6.372 0.672 -3.816 116 HG22 ILE 17 2HG2 ILE 17 5.954 1.972 -2.675 117 HG23 ILE 17 3HG2 ILE 17 6.994 2.319 -4.078 118 HD11 ILE 17 1HD1 ILE 17 7.705 0.847 0.909 119 HD12 ILE 17 2HD1 ILE 17 9.291 0.799 0.101 120 HD13 ILE 17 3HD1 ILE 17 8.233 2.217 -0.098 121 H ASN 18 H ASN 18 10.103 2.761 -3.792 122 HA ASN 18 HA ASN 18 9.269 3.476 -6.176 123 HB2 ASN 18 1HB ASN 18 12.086 3.612 -5.013 124 HB3 ASN 18 2HB ASN 18 11.719 4.366 -6.551 125 HD21 ASN 18 1HD2 ASN 18 12.594 5.778 -4.342 126 HD22 ASN 18 2HD2 ASN 18 11.350 6.843 -3.777 127 H GLU 19 H GLU 19 11.982 1.156 -5.501 128 HA GLU 19 HA GLU 19 12.130 0.566 -8.327 129 HB2 GLU 19 1HB GLU 19 13.946 0.343 -6.002 130 HB3 GLU 19 2HB GLU 19 13.994 -1.061 -7.049 131 HG2 GLU 19 1HG GLU 19 13.953 1.229 -8.770 132 HG3 GLU 19 2HG GLU 19 15.111 1.583 -7.503 133 H SER 20 H SER 20 9.755 -0.297 -7.864 134 HA SER 20 HA SER 20 10.008 -3.117 -7.867 135 HB2 SER 20 1HB SER 20 8.592 -1.734 -5.557 136 HB3 SER 20 2HB SER 20 8.215 -3.382 -6.020 137 HG SER 20 HG SER 20 10.096 -4.095 -5.215 138 H LEU 21 H LEU 21 7.897 -0.199 -7.639 139 HA LEU 21 HA LEU 21 6.216 -1.414 -9.714 140 HB2 LEU 21 1HB LEU 21 5.048 0.373 -7.615 141 HB3 LEU 21 2HB LEU 21 4.247 -0.761 -8.684 142 HG LEU 21 HG LEU 21 6.156 -1.828 -6.634 143 HD11 LEU 21 1HD1 LEU 21 3.849 -1.992 -5.250 144 HD12 LEU 21 2HD1 LEU 21 5.046 -0.693 -5.029 145 HD13 LEU 21 3HD1 LEU 21 3.614 -0.420 -6.051 146 HD21 LEU 21 1HD2 LEU 21 5.405 -3.584 -7.881 147 HD22 LEU 21 2HD2 LEU 21 4.138 -3.547 -6.631 148 HD23 LEU 21 3HD2 LEU 21 3.835 -2.820 -8.228 149 H GLN 22 H GLN 22 8.538 0.780 -9.131 150 HA GLN 22 HA GLN 22 9.213 2.562 -10.177 151 HB2 GLN 22 1HB GLN 22 7.078 1.603 -11.986 152 HB3 GLN 22 2HB GLN 22 7.380 3.323 -12.130 153 HG2 GLN 22 1HG GLN 22 9.964 2.253 -12.000 154 HG3 GLN 22 2HG GLN 22 9.091 1.044 -12.921 155 HE21 GLN 22 1HE2 GLN 22 9.973 4.435 -12.708 156 HE22 GLN 22 2HE2 GLN 22 9.758 4.847 -14.377 157 H LEU 23 H LEU 23 8.479 3.366 -7.908 158 HA LEU 23 HA LEU 23 6.307 5.312 -8.217 159 HB2 LEU 23 1HB LEU 23 7.516 4.229 -5.672 160 HB3 LEU 23 2HB LEU 23 6.118 5.275 -5.814 161 HG LEU 23 HG LEU 23 5.210 3.172 -5.400 162 HD11 LEU 23 1HD1 LEU 23 5.081 2.947 -8.376 163 HD12 LEU 23 2HD1 LEU 23 3.787 2.847 -7.157 164 HD13 LEU 23 3HD1 LEU 23 4.468 4.430 -7.606 165 HD21 LEU 23 1HD2 LEU 23 7.579 2.125 -6.143 166 HD22 LEU 23 2HD2 LEU 23 6.104 1.160 -5.897 167 HD23 LEU 23 3HD2 LEU 23 6.583 1.649 -7.540 168 H ASN 24 H ASN 24 7.169 6.883 -5.906 169 HA ASN 24 HA ASN 24 9.813 7.714 -6.336 170 HB2 ASN 24 1HB ASN 24 8.579 8.689 -8.384 171 HB3 ASN 24 2HB ASN 24 7.657 9.677 -7.268 172 HD21 ASN 24 1HD2 ASN 24 10.973 8.793 -8.168 173 HD22 ASN 24 2HD2 ASN 24 11.708 10.331 -7.861 174 H LEU 25 H LEU 25 8.756 6.970 -3.992 175 HA LEU 25 HA LEU 25 7.394 9.142 -2.680 176 HB2 LEU 25 1HB LEU 25 8.474 6.547 -1.571 177 HB3 LEU 25 2HB LEU 25 7.398 7.662 -0.751 178 HG LEU 25 HG LEU 25 6.794 5.891 -3.122 179 HD11 LEU 25 1HD1 LEU 25 6.574 4.748 -1.046 180 HD12 LEU 25 2HD1 LEU 25 5.689 6.108 -0.314 181 HD13 LEU 25 3HD1 LEU 25 4.931 5.145 -1.606 182 HD21 LEU 25 1HD2 LEU 25 4.449 6.964 -2.918 183 HD22 LEU 25 2HD2 LEU 25 5.310 8.324 -2.157 184 HD23 LEU 25 3HD2 LEU 25 5.719 7.829 -3.817 185 H THR 26 H THR 26 8.240 10.449 -0.996 186 HA THR 26 HA THR 26 11.187 10.487 -0.936 187 HB THR 26 HB THR 26 10.943 12.936 -0.653 188 HG1 THR 26 1HG THR 26 8.099 12.386 -1.034 189 HG21 THR 26 1HG2 THR 26 8.989 13.017 -2.730 190 HG22 THR 26 2HG2 THR 26 10.757 13.077 -2.927 191 HG23 THR 26 3HG2 THR 26 9.907 11.514 -2.988 192 H LYS 27 H LYS 27 8.208 10.192 0.877 193 HA LYS 27 HA LYS 27 9.846 10.053 3.302 194 HB2 LYS 27 1HB LYS 27 7.178 11.462 3.007 195 HB3 LYS 27 2HB LYS 27 7.928 11.083 4.544 196 HG2 LYS 27 1HG LYS 27 9.974 12.322 3.006 197 HG3 LYS 27 2HG LYS 27 8.530 13.263 2.690 198 HD2 LYS 27 1HD LYS 27 8.173 13.216 5.287 199 HD3 LYS 27 2HD LYS 27 9.844 12.696 5.372 200 HE2 LYS 27 1HE LYS 27 9.171 15.124 3.698 201 HE3 LYS 27 2HE LYS 27 9.209 15.294 5.442 202 HZ1 LYS 27 1HZ LYS 27 11.449 14.114 5.218 203 HZ2 LYS 27 2HZ LYS 27 11.385 14.559 3.648 204 HZ3 LYS 27 3HZ LYS 27 11.359 15.695 4.821 205 H ILE 28 H ILE 28 8.782 8.708 5.033 206 HA ILE 28 HA ILE 28 7.790 6.324 3.811 207 HB ILE 28 HB ILE 28 8.457 7.157 6.622 208 HG12 ILE 28 1HG1 ILE 28 10.202 6.588 4.787 209 HG13 ILE 28 2HG1 ILE 28 10.377 5.894 6.386 210 HG21 ILE 28 1HG2 ILE 28 6.701 4.992 5.776 211 HG22 ILE 28 2HG2 ILE 28 8.119 4.403 6.676 212 HG23 ILE 28 3HG2 ILE 28 7.046 5.623 7.404 213 HD11 ILE 28 1HD1 ILE 28 10.555 4.354 4.230 214 HD12 ILE 28 2HD1 ILE 28 9.735 3.752 5.690 215 HD13 ILE 28 3HD1 ILE 28 8.777 4.372 4.324 216 H GLU 29 H GLU 29 6.448 9.181 5.389 217 HA GLU 29 HA GLU 29 4.019 8.013 6.126 218 HB2 GLU 29 1HB GLU 29 5.271 10.587 6.264 219 HB3 GLU 29 2HB GLU 29 3.707 10.824 5.511 220 HG2 GLU 29 1HG GLU 29 4.293 9.555 8.217 221 HG3 GLU 29 2HG GLU 29 3.364 11.006 7.895 222 H GLN 30 H GLN 30 5.373 8.521 3.069 223 HA GLN 30 HA GLN 30 3.107 9.434 1.692 224 HB2 GLN 30 1HB GLN 30 5.730 8.152 0.918 225 HB3 GLN 30 2HB GLN 30 4.471 8.297 -0.292 226 HG2 GLN 30 1HG GLN 30 4.894 10.776 1.291 227 HG3 GLN 30 2HG GLN 30 6.297 10.287 0.361 228 HE21 GLN 30 1HE2 GLN 30 6.022 12.144 -0.919 229 HE22 GLN 30 2HE2 GLN 30 4.849 12.221 -2.192 230 H LEU 31 H LEU 31 3.862 6.448 3.210 231 HA LEU 31 HA LEU 31 2.180 4.922 1.381 232 HB2 LEU 31 1HB LEU 31 3.489 3.758 3.798 233 HB3 LEU 31 2HB LEU 31 3.116 3.015 2.255 234 HG LEU 31 HG LEU 31 5.058 5.165 1.949 235 HD11 LEU 31 1HD1 LEU 31 6.303 2.893 3.395 236 HD12 LEU 31 2HD1 LEU 31 6.738 4.619 3.360 237 HD13 LEU 31 3HD1 LEU 31 5.389 4.061 4.379 238 HD21 LEU 31 1HD2 LEU 31 6.215 3.571 0.627 239 HD22 LEU 31 2HD2 LEU 31 5.373 2.207 1.401 240 HD23 LEU 31 3HD2 LEU 31 4.478 3.315 0.333 241 H CYS 32 H CYS 32 1.127 7.146 3.063 242 HA CYS 32 HA CYS 32 -0.230 5.895 5.232 243 HB2 CYS 32 1HB CYS 32 -1.378 8.068 5.463 244 HB3 CYS 32 2HB CYS 32 0.365 8.241 5.395 245 HG CYS 32 HG CYS 32 -1.617 8.356 2.749 246 H SER 33 H SER 33 -0.632 6.219 1.781 247 HA SER 33 HA SER 33 -3.448 6.101 1.767 248 HB2 SER 33 1HB SER 33 -3.028 5.437 -0.698 249 HB3 SER 33 2HB SER 33 -2.469 7.016 -0.183 250 HG SER 33 HG SER 33 -0.374 6.385 -0.309 251 H GLY 34 H GLY 34 -0.883 3.688 0.820 252 HA2 GLY 34 1HA GLY 34 -0.845 1.473 1.570 253 HA3 GLY 34 2HA GLY 34 -2.554 1.556 1.949 254 H ALA 35 H ALA 35 -0.530 2.224 -1.006 255 HA ALA 35 HA ALA 35 -2.358 0.440 -2.464 256 HB1 ALA 35 1HB ALA 35 -0.929 2.638 -3.898 257 HB2 ALA 35 2HB ALA 35 -2.560 1.974 -4.157 258 HB3 ALA 35 3HB ALA 35 -2.264 3.113 -2.822 259 H ALA 36 H ALA 36 0.960 1.869 -2.238 260 HA ALA 36 HA ALA 36 2.258 0.449 -4.132 261 HB1 ALA 36 1HB ALA 36 3.501 0.706 -1.403 262 HB2 ALA 36 2HB ALA 36 4.195 1.057 -3.004 263 HB3 ALA 36 3HB ALA 36 3.023 2.181 -2.276 264 H TYR 37 H TYR 37 1.573 -0.646 -0.736 265 HA TYR 37 HA TYR 37 2.760 -3.116 -0.887 266 HB2 TYR 37 1HB TYR 37 0.052 -2.392 0.387 267 HB3 TYR 37 2HB TYR 37 1.180 -3.593 0.984 268 HD1 TYR 37 2HD TYR 37 3.673 -2.524 1.401 269 HD2 TYR 37 1HD TYR 37 -0.042 -0.409 1.574 270 HE1 TYR 37 2HE TYR 37 4.733 -0.770 2.906 271 HE2 TYR 37 1HE TYR 37 1.031 1.338 3.077 272 HH TYR 37 HH TYR 37 3.448 0.987 4.804 273 H CYS 38 H CYS 38 -0.648 -2.203 -1.744 274 HA CYS 38 HA CYS 38 -1.582 -4.691 -2.331 275 HB2 CYS 38 1HB CYS 38 -2.299 -1.930 -3.071 276 HB3 CYS 38 2HB CYS 38 -2.815 -3.128 -4.241 277 HG CYS 38 HG CYS 38 -3.701 -2.514 -1.203 278 H GLN 39 H GLN 39 0.026 -2.301 -4.560 279 HA GLN 39 HA GLN 39 0.019 -3.899 -6.782 280 HB2 GLN 39 1HB GLN 39 1.089 -1.384 -6.010 281 HB3 GLN 39 2HB GLN 39 2.448 -2.290 -6.646 282 HG2 GLN 39 1HG GLN 39 0.654 -2.917 -8.566 283 HG3 GLN 39 2HG GLN 39 -0.074 -1.412 -8.041 284 HE21 GLN 39 1HE2 GLN 39 2.176 -2.829 -10.031 285 HE22 GLN 39 2HE2 GLN 39 3.139 -1.455 -10.460 286 H PHE 40 H PHE 40 2.720 -3.412 -4.389 287 HA PHE 40 HA PHE 40 4.551 -5.103 -5.405 288 HB2 PHE 40 1HB PHE 40 3.899 -3.794 -2.944 289 HB3 PHE 40 2HB PHE 40 4.148 -5.469 -2.493 290 HD1 PHE 40 2HD PHE 40 6.278 -6.107 -4.582 291 HD2 PHE 40 1HD PHE 40 5.801 -2.842 -1.914 292 HE1 PHE 40 2HE PHE 40 8.761 -5.740 -4.588 293 HE2 PHE 40 1HE PHE 40 8.284 -2.475 -1.920 294 HZ PHE 40 HZ PHE 40 9.734 -3.928 -3.257 295 H MET 41 H MET 41 1.602 -5.972 -3.538 296 HA MET 41 HA MET 41 2.296 -8.645 -3.185 297 HB2 MET 41 1HB MET 41 -0.152 -6.916 -2.992 298 HB3 MET 41 2HB MET 41 -0.478 -8.624 -3.212 299 HG2 MET 41 1HG MET 41 1.315 -7.455 -1.026 300 HG3 MET 41 2HG MET 41 -0.339 -7.984 -0.790 301 HE1 MET 41 1HE MET 41 -0.201 -11.219 0.266 302 HE2 MET 41 2HE MET 41 -1.124 -9.838 -0.374 303 HE3 MET 41 3HE MET 41 -0.773 -11.235 -1.420 304 H ASP 42 H ASP 42 -0.152 -7.197 -5.465 305 HA ASP 42 HA ASP 42 -0.836 -9.338 -6.846 306 HB2 ASP 42 1HB ASP 42 -1.751 -7.181 -7.416 307 HB3 ASP 42 2HB ASP 42 -0.175 -6.536 -7.830 308 H MET 43 H MET 43 2.251 -7.510 -7.060 309 HA MET 43 HA MET 43 3.166 -8.820 -9.372 310 HB2 MET 43 1HB MET 43 3.977 -6.692 -7.636 311 HB3 MET 43 2HB MET 43 5.291 -7.851 -7.585 312 HG2 MET 43 1HG MET 43 4.177 -7.259 -10.306 313 HG3 MET 43 2HG MET 43 5.044 -5.947 -9.532 314 HE1 MET 43 1HE MET 43 7.273 -8.094 -7.733 315 HE2 MET 43 2HE MET 43 8.495 -7.345 -8.788 316 HE3 MET 43 3HE MET 43 7.134 -6.376 -8.176 317 H LEU 44 H LEU 44 3.605 -9.328 -5.829 318 HA LEU 44 HA LEU 44 5.386 -11.545 -6.300 319 HB2 LEU 44 1HB LEU 44 4.186 -10.397 -3.776 320 HB3 LEU 44 2HB LEU 44 5.339 -11.716 -3.825 321 HG LEU 44 HG LEU 44 5.923 -8.965 -4.945 322 HD11 LEU 44 1HD1 LEU 44 6.748 -8.225 -2.946 323 HD12 LEU 44 2HD1 LEU 44 5.399 -9.233 -2.369 324 HD13 LEU 44 3HD1 LEU 44 7.062 -9.867 -2.333 325 HD21 LEU 44 1HD2 LEU 44 7.969 -10.970 -4.041 326 HD22 LEU 44 2HD2 LEU 44 7.225 -11.107 -5.652 327 HD23 LEU 44 3HD2 LEU 44 8.120 -9.634 -5.208 328 H PHE 45 H PHE 45 2.290 -11.231 -4.419 329 HA PHE 45 HA PHE 45 1.766 -14.018 -4.994 330 HB2 PHE 45 1HB PHE 45 0.400 -11.798 -3.360 331 HB3 PHE 45 2HB PHE 45 -0.212 -13.439 -3.417 332 HD1 PHE 45 1HD PHE 45 2.792 -11.461 -2.480 333 HD2 PHE 45 2HD PHE 45 0.599 -15.053 -1.934 334 HE1 PHE 45 1HE PHE 45 4.296 -12.089 -0.572 335 HE2 PHE 45 2HE PHE 45 2.103 -15.681 -0.025 336 HZ PHE 45 HZ PHE 45 3.934 -14.192 0.633 337 HA PRO 46 HA PRO 46 -0.816 -12.712 -8.310 338 HB2 PRO 46 1HB PRO 46 -1.133 -15.172 -9.457 339 HB3 PRO 46 2HB PRO 46 0.210 -14.108 -9.827 340 HG2 PRO 46 1HG PRO 46 0.185 -16.552 -8.165 341 HG3 PRO 46 2HG PRO 46 1.554 -15.730 -8.887 342 HD2 PRO 46 1HD PRO 46 0.757 -15.643 -6.133 343 HD3 PRO 46 2HD PRO 46 2.054 -14.731 -6.878 344 H GLY 47 H GLY 47 -2.876 -12.125 -8.117 345 HA2 GLY 47 1HA GLY 47 -5.070 -12.336 -7.659 346 HA3 GLY 47 2HA GLY 47 -4.874 -14.078 -7.659 347 H SER 48 H SER 48 -3.500 -11.417 -5.588 348 HA SER 48 HA SER 48 -4.562 -12.907 -3.315 349 HB2 SER 48 1HB SER 48 -2.614 -11.622 -2.083 350 HB3 SER 48 2HB SER 48 -2.261 -13.080 -2.989 351 HG SER 48 HG SER 48 -2.172 -10.640 -4.442 352 H ILE 49 H ILE 49 -4.051 -9.772 -4.933 353 HA ILE 49 HA ILE 49 -5.777 -8.541 -2.897 354 HB ILE 49 HB ILE 49 -4.141 -6.736 -4.517 355 HG12 ILE 49 1HG1 ILE 49 -2.609 -8.720 -4.242 356 HG13 ILE 49 2HG1 ILE 49 -2.015 -7.203 -3.595 357 HG21 ILE 49 1HG2 ILE 49 -3.624 -6.068 -1.990 358 HG22 ILE 49 2HG2 ILE 49 -5.143 -5.626 -2.805 359 HG23 ILE 49 3HG2 ILE 49 -5.096 -7.029 -1.711 360 HD11 ILE 49 1HD1 ILE 49 -3.587 -8.980 -1.740 361 HD12 ILE 49 2HD1 ILE 49 -1.925 -9.463 -2.158 362 HD13 ILE 49 3HD1 ILE 49 -2.226 -7.890 -1.382 363 H ALA 50 H ALA 50 -6.539 -6.247 -4.203 364 HA ALA 50 HA ALA 50 -7.726 -7.242 -6.699 365 HB1 ALA 50 1HB ALA 50 -9.758 -7.138 -5.751 366 HB2 ALA 50 2HB ALA 50 -9.031 -6.612 -4.213 367 HB3 ALA 50 3HB ALA 50 -9.507 -5.405 -5.431 368 H LEU 51 H LEU 51 -5.626 -6.051 -7.386 369 HA LEU 51 HA LEU 51 -5.225 -3.376 -7.048 370 HB2 LEU 51 1HB LEU 51 -4.303 -5.465 -8.754 371 HB3 LEU 51 2HB LEU 51 -4.612 -4.054 -9.746 372 HG LEU 51 HG LEU 51 -2.751 -4.257 -7.369 373 HD11 LEU 51 1HD1 LEU 51 -1.170 -3.363 -9.264 374 HD12 LEU 51 2HD1 LEU 51 -1.559 -5.096 -9.144 375 HD13 LEU 51 3HD1 LEU 51 -2.397 -4.076 -10.338 376 HD21 LEU 51 1HD2 LEU 51 -2.960 -2.084 -6.991 377 HD22 LEU 51 2HD2 LEU 51 -2.457 -1.748 -8.665 378 HD23 LEU 51 3HD2 LEU 51 -4.183 -1.955 -8.278 379 H LYS 52 H LYS 52 -7.799 -5.015 -8.777 380 HA LYS 52 HA LYS 52 -8.498 -2.592 -10.218 381 HB2 LYS 52 1HB LYS 52 -8.955 -5.437 -10.541 382 HB3 LYS 52 2HB LYS 52 -10.472 -4.563 -10.598 383 HG2 LYS 52 1HG LYS 52 -8.172 -3.369 -12.120 384 HG3 LYS 52 2HG LYS 52 -8.854 -4.849 -12.764 385 HD2 LYS 52 1HD LYS 52 -10.125 -3.134 -13.810 386 HD3 LYS 52 2HD LYS 52 -11.172 -3.710 -12.528 387 HE2 LYS 52 1HE LYS 52 -11.269 -1.339 -12.331 388 HE3 LYS 52 2HE LYS 52 -10.169 -1.826 -11.057 389 HZ1 LYS 52 1HZ LYS 52 -8.949 -1.313 -13.608 390 HZ2 LYS 52 2HZ LYS 52 -9.586 -0.005 -12.865 391 HZ3 LYS 52 3HZ LYS 52 -8.447 -0.899 -12.110 392 H LYS 53 H LYS 53 -8.464 -2.245 -7.423 393 HA LYS 53 HA LYS 53 -11.163 -1.414 -7.041 394 HB2 LYS 53 1HB LYS 53 -10.888 -3.981 -6.345 395 HB3 LYS 53 2HB LYS 53 -10.271 -3.263 -4.872 396 HG2 LYS 53 1HG LYS 53 -12.313 -2.057 -4.468 397 HG3 LYS 53 2HG LYS 53 -12.885 -2.312 -6.105 398 HD2 LYS 53 1HD LYS 53 -14.116 -3.874 -4.781 399 HD3 LYS 53 2HD LYS 53 -12.891 -4.837 -5.583 400 HE2 LYS 53 1HE LYS 53 -12.623 -5.605 -3.401 401 HE3 LYS 53 2HE LYS 53 -11.460 -4.295 -3.393 402 HZ1 LYS 53 1HZ LYS 53 -13.965 -3.261 -2.772 403 HZ2 LYS 53 2HZ LYS 53 -13.710 -4.562 -1.818 404 HZ3 LYS 53 3HZ LYS 53 -12.636 -3.331 -1.825 405 H VAL 54 H VAL 54 -7.906 -2.066 -5.636 406 HA VAL 54 HA VAL 54 -7.954 -0.298 -3.557 407 HB VAL 54 HB VAL 54 -6.164 -1.860 -3.968 408 HG11 VAL 54 1HG1 VAL 54 -5.163 -0.116 -6.229 409 HG12 VAL 54 2HG1 VAL 54 -4.625 -1.746 -5.757 410 HG13 VAL 54 3HG1 VAL 54 -6.224 -1.518 -6.505 411 HG21 VAL 54 1HG2 VAL 54 -4.662 0.699 -4.214 412 HG22 VAL 54 2HG2 VAL 54 -5.854 0.589 -2.898 413 HG23 VAL 54 3HG2 VAL 54 -4.533 -0.599 -3.003 414 H LYS 55 H LYS 55 -7.259 1.922 -3.295 415 HA LYS 55 HA LYS 55 -7.855 3.489 -5.694 416 HB2 LYS 55 1HB LYS 55 -8.223 3.937 -2.751 417 HB3 LYS 55 2HB LYS 55 -8.017 5.326 -3.799 418 HG2 LYS 55 1HG LYS 55 -9.932 3.264 -4.803 419 HG3 LYS 55 2HG LYS 55 -10.429 4.081 -3.334 420 HD2 LYS 55 1HD LYS 55 -10.978 5.949 -4.496 421 HD3 LYS 55 2HD LYS 55 -9.362 6.058 -5.165 422 HE2 LYS 55 1HE LYS 55 -10.205 4.098 -6.764 423 HE3 LYS 55 2HE LYS 55 -11.798 4.675 -6.315 424 HZ1 LYS 55 1HZ LYS 55 -10.764 6.950 -6.905 425 HZ2 LYS 55 2HZ LYS 55 -9.709 6.062 -7.780 426 HZ3 LYS 55 3HZ LYS 55 -11.310 5.973 -8.095 427 H PHE 56 H PHE 56 -5.975 3.780 -6.821 428 HA PHE 56 HA PHE 56 -3.546 4.286 -5.327 429 HB2 PHE 56 1HB PHE 56 -4.436 3.694 -8.174 430 HB3 PHE 56 2HB PHE 56 -2.882 4.478 -7.968 431 HD1 PHE 56 1HD PHE 56 -4.369 1.930 -5.720 432 HD2 PHE 56 2HD PHE 56 -1.428 2.769 -8.662 433 HE1 PHE 56 1HE PHE 56 -3.301 -0.299 -5.288 434 HE2 PHE 56 2HE PHE 56 -0.360 0.539 -8.229 435 HZ PHE 56 HZ PHE 56 -1.309 -0.968 -6.547 436 H GLN 57 H GLN 57 -5.543 6.315 -4.993 437 HA GLN 57 HA GLN 57 -4.030 8.544 -5.560 438 HB2 GLN 57 1HB GLN 57 -5.667 7.716 -7.790 439 HB3 GLN 57 2HB GLN 57 -6.316 9.218 -7.164 440 HG2 GLN 57 1HG GLN 57 -3.816 10.038 -7.150 441 HG3 GLN 57 2HG GLN 57 -3.515 8.672 -8.206 442 HE21 GLN 57 1HE2 GLN 57 -3.279 11.481 -8.780 443 HE22 GLN 57 2HE2 GLN 57 -4.337 11.853 -10.100 444 H ALA 58 H ALA 58 -5.422 7.326 -3.363 445 HA ALA 58 HA ALA 58 -7.895 8.684 -2.950 446 HB1 ALA 58 1HB ALA 58 -8.062 7.284 -1.165 447 HB2 ALA 58 2HB ALA 58 -6.689 6.447 -1.928 448 HB3 ALA 58 3HB ALA 58 -6.401 7.619 -0.619 449 H LYS 59 H LYS 59 -8.297 10.609 -1.893 450 HA LYS 59 HA LYS 59 -5.904 12.033 -0.953 451 HB2 LYS 59 1HB LYS 59 -7.852 12.750 -2.939 452 HB3 LYS 59 2HB LYS 59 -7.981 13.868 -1.596 453 HG2 LYS 59 1HG LYS 59 -5.244 13.135 -2.676 454 HG3 LYS 59 2HG LYS 59 -6.220 14.319 -3.523 455 HD2 LYS 59 1HD LYS 59 -6.154 14.799 -0.609 456 HD3 LYS 59 2HD LYS 59 -4.554 14.823 -1.322 457 HE2 LYS 59 1HE LYS 59 -5.699 16.354 -3.171 458 HE3 LYS 59 2HE LYS 59 -6.927 16.601 -1.945 459 HZ1 LYS 59 1HZ LYS 59 -4.959 18.158 -1.983 460 HZ2 LYS 59 2HZ LYS 59 -5.393 17.556 -0.529 461 HZ3 LYS 59 3HZ LYS 59 -4.095 16.947 -1.310 462 H LEU 60 H LEU 60 -8.785 10.467 -0.076 463 HA LEU 60 HA LEU 60 -9.067 12.176 2.292 464 HB2 LEU 60 1HB LEU 60 -11.089 10.139 1.441 465 HB3 LEU 60 2HB LEU 60 -11.298 11.571 2.430 466 HG LEU 60 HG LEU 60 -10.982 11.414 -0.571 467 HD11 LEU 60 1HD1 LEU 60 -13.139 12.931 -0.199 468 HD12 LEU 60 2HD1 LEU 60 -13.215 11.153 -0.225 469 HD13 LEU 60 3HD1 LEU 60 -13.196 12.020 1.329 470 HD21 LEU 60 1HD2 LEU 60 -10.117 13.543 1.180 471 HD22 LEU 60 2HD2 LEU 60 -9.966 13.386 -0.587 472 HD23 LEU 60 3HD2 LEU 60 -11.438 14.093 0.121 473 H GLU 61 H GLU 61 -9.432 11.054 4.378 474 HA GLU 61 HA GLU 61 -7.514 9.023 4.672 475 HB2 GLU 61 1HB GLU 61 -8.943 10.837 6.351 476 HB3 GLU 61 2HB GLU 61 -9.274 9.232 6.971 477 HG2 GLU 61 1HG GLU 61 -6.993 8.774 7.401 478 HG3 GLU 61 2HG GLU 61 -6.428 9.961 6.242 479 H HIS 62 H HIS 62 -11.120 9.088 5.163 480 HA HIS 62 HA HIS 62 -11.605 6.568 5.850 481 HB2 HIS 62 1HB HIS 62 -13.773 6.782 4.864 482 HB3 HIS 62 2HB HIS 62 -13.287 8.349 5.481 483 HD1 HIS 62 1HD HIS 62 -14.464 6.664 2.437 484 HD2 HIS 62 2HD HIS 62 -12.393 10.194 3.357 485 HE1 HIS 62 1HE HIS 62 -14.608 8.140 0.360 486 H GLU 63 H GLU 63 -10.420 7.688 2.692 487 HA GLU 63 HA GLU 63 -10.972 5.277 1.358 488 HB2 GLU 63 1HB GLU 63 -8.858 7.354 0.647 489 HB3 GLU 63 2HB GLU 63 -9.609 6.205 -0.443 490 HG2 GLU 63 1HG GLU 63 -11.609 7.827 0.996 491 HG3 GLU 63 2HG GLU 63 -10.494 8.822 0.081 492 H TYR 64 H TYR 64 -7.854 6.737 2.551 493 HA TYR 64 HA TYR 64 -6.082 4.843 2.018 494 HB2 TYR 64 1HB TYR 64 -6.635 6.124 4.768 495 HB3 TYR 64 2HB TYR 64 -5.072 5.522 4.254 496 HD1 TYR 64 1HD TYR 64 -5.956 6.757 1.293 497 HD2 TYR 64 2HD TYR 64 -5.276 8.243 5.247 498 HE1 TYR 64 1HE TYR 64 -5.389 9.046 0.343 499 HE2 TYR 64 2HE TYR 64 -4.711 10.527 4.283 500 HH TYR 64 HH TYR 64 -5.373 11.328 1.040 501 H ILE 65 H ILE 65 -8.536 4.638 4.663 502 HA ILE 65 HA ILE 65 -7.616 2.332 5.857 503 HB ILE 65 HB ILE 65 -10.262 3.686 5.603 504 HG12 ILE 65 1HG1 ILE 65 -9.583 3.148 8.274 505 HG13 ILE 65 2HG1 ILE 65 -8.064 3.551 7.497 506 HG21 ILE 65 1HG2 ILE 65 -9.822 0.869 6.540 507 HG22 ILE 65 2HG2 ILE 65 -11.052 1.891 7.320 508 HG23 ILE 65 3HG2 ILE 65 -11.150 1.555 5.575 509 HD11 ILE 65 1HD1 ILE 65 -9.662 5.461 8.457 510 HD12 ILE 65 2HD1 ILE 65 -8.742 5.716 6.954 511 HD13 ILE 65 3HD1 ILE 65 -10.464 5.270 6.879 512 H GLN 66 H GLN 66 -10.365 2.492 3.479 513 HA GLN 66 HA GLN 66 -10.655 -0.118 3.048 514 HB2 GLN 66 1HB GLN 66 -10.814 2.194 1.079 515 HB3 GLN 66 2HB GLN 66 -11.299 0.570 0.634 516 HG2 GLN 66 1HG GLN 66 -12.624 0.859 3.039 517 HG3 GLN 66 2HG GLN 66 -12.634 2.513 2.461 518 HE21 GLN 66 1HE2 GLN 66 -14.925 2.253 2.331 519 HE22 GLN 66 2HE2 GLN 66 -15.664 1.513 0.950 520 H ASN 67 H ASN 67 -8.387 2.023 1.172 521 HA ASN 67 HA ASN 67 -7.334 0.336 -0.541 522 HB2 ASN 67 1HB ASN 67 -5.860 2.300 1.281 523 HB3 ASN 67 2HB ASN 67 -5.065 1.506 -0.064 524 HD21 ASN 67 1HD2 ASN 67 -4.713 3.258 -1.305 525 HD22 ASN 67 2HD2 ASN 67 -5.948 4.213 -2.057 526 H PHE 68 H PHE 68 -6.291 0.678 2.934 527 HA PHE 68 HA PHE 68 -4.428 -1.428 2.819 528 HB2 PHE 68 1HB PHE 68 -5.994 0.076 4.983 529 HB3 PHE 68 2HB PHE 68 -4.876 -1.198 5.427 530 HD1 PHE 68 1HD PHE 68 -2.484 -0.912 4.141 531 HD2 PHE 68 2HD PHE 68 -5.174 2.214 5.138 532 HE1 PHE 68 1HE PHE 68 -0.589 0.733 4.092 533 HE2 PHE 68 2HE PHE 68 -3.280 3.860 5.089 534 HZ PHE 68 HZ PHE 68 -1.010 3.100 4.567 535 H LYS 69 H LYS 69 -7.866 -1.197 3.920 536 HA LYS 69 HA LYS 69 -8.191 -3.609 5.089 537 HB2 LYS 69 1HB LYS 69 -10.103 -2.176 3.221 538 HB3 LYS 69 2HB LYS 69 -10.551 -3.481 4.300 539 HG2 LYS 69 1HG LYS 69 -9.350 -1.926 6.134 540 HG3 LYS 69 2HG LYS 69 -9.712 -0.661 4.976 541 HD2 LYS 69 1HD LYS 69 -11.992 -0.798 5.320 542 HD3 LYS 69 2HD LYS 69 -11.968 -2.537 5.529 543 HE2 LYS 69 1HE LYS 69 -10.648 -1.907 7.786 544 HE3 LYS 69 2HE LYS 69 -11.467 -0.372 7.572 545 HZ1 LYS 69 1HZ LYS 69 -13.212 -2.560 7.164 546 HZ2 LYS 69 2HZ LYS 69 -12.535 -2.608 8.649 547 HZ3 LYS 69 3HZ LYS 69 -13.368 -1.286 8.174 548 H ILE 70 H ILE 70 -8.237 -2.908 1.538 549 HA ILE 70 HA ILE 70 -8.765 -5.547 0.775 550 HB ILE 70 HB ILE 70 -7.471 -3.224 -0.647 551 HG12 ILE 70 1HG1 ILE 70 -10.265 -4.390 -0.832 552 HG13 ILE 70 2HG1 ILE 70 -9.832 -2.944 0.059 553 HG21 ILE 70 1HG2 ILE 70 -7.314 -5.923 -1.398 554 HG22 ILE 70 2HG2 ILE 70 -8.596 -5.216 -2.410 555 HG23 ILE 70 3HG2 ILE 70 -6.970 -4.492 -2.398 556 HD11 ILE 70 1HD1 ILE 70 -10.749 -2.598 -2.326 557 HD12 ILE 70 2HD1 ILE 70 -9.233 -1.752 -1.933 558 HD13 ILE 70 3HD1 ILE 70 -9.194 -3.244 -2.901 559 H LEU 71 H LEU 71 -5.635 -3.702 0.908 560 HA LEU 71 HA LEU 71 -3.964 -5.712 0.160 561 HB2 LEU 71 1HB LEU 71 -3.250 -3.440 0.466 562 HB3 LEU 71 2HB LEU 71 -3.572 -3.511 2.187 563 HG LEU 71 HG LEU 71 -1.131 -3.706 1.289 564 HD11 LEU 71 1HD1 LEU 71 -2.479 -4.673 3.622 565 HD12 LEU 71 2HD1 LEU 71 -1.152 -5.788 3.214 566 HD13 LEU 71 3HD1 LEU 71 -0.818 -4.056 3.454 567 HD21 LEU 71 1HD2 LEU 71 -1.989 -5.718 -0.195 568 HD22 LEU 71 2HD2 LEU 71 -0.348 -5.701 0.496 569 HD23 LEU 71 3HD2 LEU 71 -1.634 -6.651 1.279 570 H GLN 72 H GLN 72 -5.041 -4.958 3.548 571 HA GLN 72 HA GLN 72 -3.736 -6.865 4.869 572 HB2 GLN 72 1HB GLN 72 -5.202 -5.267 5.983 573 HB3 GLN 72 2HB GLN 72 -6.624 -5.964 5.232 574 HG2 GLN 72 1HG GLN 72 -6.772 -7.129 7.207 575 HG3 GLN 72 2HG GLN 72 -5.630 -8.204 6.426 576 HE21 GLN 72 1HE2 GLN 72 -3.500 -8.235 7.020 577 HE22 GLN 72 2HE2 GLN 72 -2.877 -7.458 8.437 578 H ALA 73 H ALA 73 -7.083 -7.357 3.511 579 HA ALA 73 HA ALA 73 -7.367 -9.997 4.025 580 HB1 ALA 73 1HB ALA 73 -9.136 -9.888 2.550 581 HB2 ALA 73 2HB ALA 73 -8.825 -8.147 2.751 582 HB3 ALA 73 3HB ALA 73 -8.200 -9.003 1.322 583 H GLY 74 H GLY 74 -5.304 -8.435 1.571 584 HA2 GLY 74 1HA GLY 74 -4.781 -10.548 -0.123 585 HA3 GLY 74 2HA GLY 74 -3.662 -9.261 0.278 586 H PHE 75 H PHE 75 -3.862 -10.087 3.263 587 HA PHE 75 HA PHE 75 -1.739 -12.038 3.082 588 HB2 PHE 75 1HB PHE 75 -3.084 -10.326 5.241 589 HB3 PHE 75 2HB PHE 75 -1.906 -11.545 5.686 590 HD1 PHE 75 1HD PHE 75 -1.100 -10.176 2.526 591 HD2 PHE 75 2HD PHE 75 -0.855 -9.386 6.688 592 HE1 PHE 75 1HE PHE 75 0.754 -8.538 2.106 593 HE2 PHE 75 2HE PHE 75 0.999 -7.747 6.268 594 HZ PHE 75 HZ PHE 75 1.781 -7.342 3.982 595 H LYS 76 H LYS 76 -4.794 -11.678 5.035 596 HA LYS 76 HA LYS 76 -4.812 -14.252 6.017 597 HB2 LYS 76 1HB LYS 76 -6.852 -13.714 6.885 598 HB3 LYS 76 2HB LYS 76 -6.266 -12.105 6.515 599 HG2 LYS 76 1HG LYS 76 -7.414 -12.463 4.174 600 HG3 LYS 76 2HG LYS 76 -8.265 -13.780 4.956 601 HD2 LYS 76 1HD LYS 76 -9.101 -12.204 6.709 602 HD3 LYS 76 2HD LYS 76 -8.243 -10.885 5.937 603 HE2 LYS 76 1HE LYS 76 -9.675 -11.895 3.799 604 HE3 LYS 76 2HE LYS 76 -10.775 -12.234 5.121 605 HZ1 LYS 76 1HZ LYS 76 -11.204 -10.073 4.329 606 HZ2 LYS 76 2HZ LYS 76 -10.488 -9.890 5.786 607 HZ3 LYS 76 3HZ LYS 76 -9.637 -9.621 4.418 608 H ARG 77 H ARG 77 -5.517 -13.031 2.794 609 HA ARG 77 HA ARG 77 -7.117 -15.169 1.992 610 HB2 ARG 77 1HB ARG 77 -5.506 -13.024 0.591 611 HB3 ARG 77 2HB ARG 77 -6.126 -14.352 -0.370 612 HG2 ARG 77 1HG ARG 77 -8.437 -13.886 0.537 613 HG3 ARG 77 2HG ARG 77 -7.792 -12.510 1.409 614 HD2 ARG 77 1HD ARG 77 -6.886 -11.737 -0.949 615 HD3 ARG 77 2HD ARG 77 -8.044 -12.883 -1.595 616 HE ARG 77 HE ARG 77 -9.235 -11.120 0.403 617 HH11 ARG 77 2HH2 ARG 77 -8.344 -11.392 -2.990 618 HH12 ARG 77 1HH2 ARG 77 -9.503 -10.219 -3.521 619 HH21 ARG 77 2HH1 ARG 77 -10.764 -9.573 -0.296 620 HH22 ARG 77 1HH1 ARG 77 -10.889 -9.178 -1.978 621 H MET 78 H MET 78 -3.603 -14.392 1.428 622 HA MET 78 HA MET 78 -3.144 -16.933 0.267 623 HB2 MET 78 1HB MET 78 -1.168 -14.851 1.358 624 HB3 MET 78 2HB MET 78 -0.766 -16.147 0.249 625 HG2 MET 78 1HG MET 78 -2.590 -13.762 -0.299 626 HG3 MET 78 2HG MET 78 -1.046 -14.105 -1.054 627 HE1 MET 78 1HE MET 78 -0.863 -15.314 -3.305 628 HE2 MET 78 2HE MET 78 -0.653 -16.609 -2.102 629 HE3 MET 78 3HE MET 78 -1.682 -16.879 -3.529 630 H GLY 79 H GLY 79 -1.592 -15.383 3.174 631 HA2 GLY 79 1HA GLY 79 -2.220 -17.155 5.120 632 HA3 GLY 79 2HA GLY 79 -0.933 -17.976 4.258 633 H VAL 80 H VAL 80 -1.664 -14.583 5.371 634 HA VAL 80 HA VAL 80 1.043 -14.546 6.511 635 HB VAL 80 HB VAL 80 -0.386 -12.503 4.826 636 HG11 VAL 80 1HG1 VAL 80 1.293 -10.843 5.447 637 HG12 VAL 80 2HG1 VAL 80 0.378 -11.367 6.881 638 HG13 VAL 80 3HG1 VAL 80 2.024 -11.985 6.601 639 HG21 VAL 80 1HG2 VAL 80 0.948 -13.779 3.429 640 HG22 VAL 80 2HG2 VAL 80 2.058 -12.458 3.868 641 HG23 VAL 80 3HG2 VAL 80 2.193 -14.039 4.675 642 H ASP 81 H ASP 81 0.635 -14.785 8.671 643 HA ASP 81 HA ASP 81 -1.724 -13.676 9.786 644 HB2 ASP 81 1HB ASP 81 -0.425 -15.805 10.519 645 HB3 ASP 81 2HB ASP 81 0.711 -14.718 11.292 646 H LYS 82 H LYS 82 -1.093 -11.377 9.008 647 HA LYS 82 HA LYS 82 0.628 -10.135 11.034 648 HB2 LYS 82 1HB LYS 82 1.989 -10.067 9.129 649 HB3 LYS 82 2HB LYS 82 0.646 -9.769 8.045 650 HG2 LYS 82 1HG LYS 82 1.750 -7.658 8.259 651 HG3 LYS 82 2HG LYS 82 0.313 -7.521 9.252 652 HD2 LYS 82 1HD LYS 82 1.626 -8.016 11.290 653 HD3 LYS 82 2HD LYS 82 3.066 -8.290 10.331 654 HE2 LYS 82 1HE LYS 82 3.192 -5.967 9.668 655 HE3 LYS 82 2HE LYS 82 1.570 -5.637 10.242 656 HZ1 LYS 82 1HZ LYS 82 3.699 -5.145 11.670 657 HZ2 LYS 82 2HZ LYS 82 2.270 -5.536 12.358 658 HZ3 LYS 82 3HZ LYS 82 3.433 -6.671 12.187 659 H ILE 83 H ILE 83 -0.219 -8.339 12.041 660 HA ILE 83 HA ILE 83 -2.946 -7.664 11.224 661 HB ILE 83 HB ILE 83 -1.493 -7.219 13.834 662 HG12 ILE 83 1HG1 ILE 83 -2.085 -9.618 13.134 663 HG13 ILE 83 2HG1 ILE 83 -2.602 -9.067 14.715 664 HG21 ILE 83 1HG2 ILE 83 -4.047 -6.886 14.496 665 HG22 ILE 83 2HG2 ILE 83 -3.028 -5.540 13.930 666 HG23 ILE 83 3HG2 ILE 83 -4.150 -6.342 12.804 667 HD11 ILE 83 1HD1 ILE 83 -4.456 -8.733 12.344 668 HD12 ILE 83 2HD1 ILE 83 -4.325 -10.309 13.161 669 HD13 ILE 83 3HD1 ILE 83 -4.861 -8.876 14.071 670 H ILE 84 H ILE 84 -2.937 -6.039 9.744 671 HA ILE 84 HA ILE 84 -0.871 -4.072 9.758 672 HB ILE 84 HB ILE 84 -3.413 -4.418 8.173 673 HG12 ILE 84 1HG1 ILE 84 -0.492 -4.828 7.468 674 HG13 ILE 84 2HG1 ILE 84 -1.670 -6.092 7.759 675 HG21 ILE 84 1HG2 ILE 84 -2.991 -2.529 6.930 676 HG22 ILE 84 2HG2 ILE 84 -2.522 -1.985 8.558 677 HG23 ILE 84 3HG2 ILE 84 -1.272 -2.472 7.388 678 HD11 ILE 84 1HD1 ILE 84 -1.425 -4.222 5.414 679 HD12 ILE 84 2HD1 ILE 84 -1.797 -5.963 5.441 680 HD13 ILE 84 3HD1 ILE 84 -3.053 -4.777 5.873 681 HA PRO 85 HA PRO 85 -2.779 -1.260 12.426 682 HB2 PRO 85 1HB PRO 85 -1.393 1.012 11.806 683 HB3 PRO 85 2HB PRO 85 -0.771 -0.227 12.877 684 HG2 PRO 85 1HG PRO 85 -0.013 0.358 10.080 685 HG3 PRO 85 2HG PRO 85 0.864 -0.564 11.285 686 HD2 PRO 85 1HD PRO 85 -0.650 -1.614 9.086 687 HD3 PRO 85 2HD PRO 85 0.129 -2.535 10.356 688 H VAL 86 H VAL 86 -2.214 0.345 9.322 689 HA VAL 86 HA VAL 86 -3.587 1.466 8.003 690 HB VAL 86 HB VAL 86 -5.764 -0.038 9.470 691 HG11 VAL 86 1HG1 VAL 86 -5.778 1.625 6.946 692 HG12 VAL 86 2HG1 VAL 86 -6.983 0.349 7.238 693 HG13 VAL 86 3HG1 VAL 86 -6.856 1.725 8.359 694 HG21 VAL 86 1HG2 VAL 86 -4.467 -1.722 8.539 695 HG22 VAL 86 2HG2 VAL 86 -5.634 -1.395 7.235 696 HG23 VAL 86 3HG2 VAL 86 -3.986 -0.728 7.143 697 H ASP 87 H ASP 87 -5.753 1.320 10.902 698 HA ASP 87 HA ASP 87 -6.610 3.818 10.873 699 HB2 ASP 87 1HB ASP 87 -6.660 1.740 12.692 700 HB3 ASP 87 2HB ASP 87 -5.742 2.933 13.589 701 H LYS 88 H LYS 88 -3.358 2.670 11.692 702 HA LYS 88 HA LYS 88 -2.593 5.212 12.854 703 HB2 LYS 88 1HB LYS 88 -0.765 2.878 12.294 704 HB3 LYS 88 2HB LYS 88 -0.587 4.148 13.488 705 HG2 LYS 88 1HG LYS 88 -2.560 3.293 14.731 706 HG3 LYS 88 2HG LYS 88 -2.820 2.062 13.511 707 HD2 LYS 88 1HD LYS 88 -1.620 0.864 15.134 708 HD3 LYS 88 2HD LYS 88 -0.340 1.342 14.037 709 HE2 LYS 88 1HE LYS 88 0.695 2.254 15.848 710 HE3 LYS 88 2HE LYS 88 -0.498 3.534 15.763 711 HZ1 LYS 88 1HZ LYS 88 -0.177 1.910 17.842 712 HZ2 LYS 88 2HZ LYS 88 -1.554 2.731 17.530 713 HZ3 LYS 88 3HZ LYS 88 -1.416 1.168 17.078 714 H LEU 89 H LEU 89 -2.003 3.206 9.914 715 HA LEU 89 HA LEU 89 -0.153 4.994 8.781 716 HB2 LEU 89 1HB LEU 89 -1.943 3.060 7.316 717 HB3 LEU 89 2HB LEU 89 -0.394 3.694 6.799 718 HG LEU 89 HG LEU 89 -0.749 1.916 9.224 719 HD11 LEU 89 1HD1 LEU 89 0.530 0.762 6.839 720 HD12 LEU 89 2HD1 LEU 89 -0.638 0.055 7.981 721 HD13 LEU 89 3HD1 LEU 89 -1.208 1.100 6.658 722 HD21 LEU 89 1HD2 LEU 89 1.672 2.929 7.726 723 HD22 LEU 89 2HD2 LEU 89 1.257 3.148 9.443 724 HD23 LEU 89 3HD2 LEU 89 1.727 1.541 8.839 725 H VAL 90 H VAL 90 -3.727 4.561 8.406 726 HA VAL 90 HA VAL 90 -4.034 6.567 6.486 727 HB VAL 90 HB VAL 90 -6.384 6.449 7.065 728 HG11 VAL 90 1HG1 VAL 90 -4.965 4.479 5.950 729 HG12 VAL 90 2HG1 VAL 90 -5.555 3.596 7.379 730 HG13 VAL 90 3HG1 VAL 90 -6.714 4.338 6.249 731 HG21 VAL 90 1HG2 VAL 90 -5.326 5.476 9.638 732 HG22 VAL 90 2HG2 VAL 90 -6.855 6.307 9.263 733 HG23 VAL 90 3HG2 VAL 90 -6.712 4.549 9.017 734 H LYS 91 H LYS 91 -3.695 6.623 10.027 735 HA LYS 91 HA LYS 91 -4.640 9.280 10.326 736 HB2 LYS 91 1HB LYS 91 -3.270 7.248 12.040 737 HB3 LYS 91 2HB LYS 91 -3.214 8.923 12.550 738 HG2 LYS 91 1HG LYS 91 -5.711 9.057 12.367 739 HG3 LYS 91 2HG LYS 91 -5.762 7.377 11.869 740 HD2 LYS 91 1HD LYS 91 -6.116 7.077 14.139 741 HD3 LYS 91 2HD LYS 91 -4.364 7.013 14.135 742 HE2 LYS 91 1HE LYS 91 -5.099 9.790 14.281 743 HE3 LYS 91 2HE LYS 91 -6.096 8.936 15.442 744 HZ1 LYS 91 1HZ LYS 91 -3.182 8.615 15.261 745 HZ2 LYS 91 2HZ LYS 91 -3.926 9.631 16.302 746 HZ3 LYS 91 3HZ LYS 91 -4.161 8.019 16.426 747 H GLY 92 H GLY 92 -1.912 7.988 8.791 748 HA2 GLY 92 1HA GLY 92 0.176 8.788 8.351 749 HA3 GLY 92 2HA GLY 92 -0.752 10.210 7.915 750 H LYS 93 H LYS 93 1.200 8.650 10.466 751 HA LYS 93 HA LYS 93 1.736 11.304 11.537 752 HB2 LYS 93 1HB LYS 93 0.634 8.982 13.125 753 HB3 LYS 93 2HB LYS 93 1.568 10.258 13.879 754 HG2 LYS 93 1HG LYS 93 -0.310 11.604 12.226 755 HG3 LYS 93 2HG LYS 93 -1.214 10.300 12.971 756 HD2 LYS 93 1HD LYS 93 -1.421 11.785 14.711 757 HD3 LYS 93 2HD LYS 93 0.160 11.175 15.159 758 HE2 LYS 93 1HE LYS 93 1.293 13.051 14.180 759 HE3 LYS 93 2HE LYS 93 -0.113 13.525 13.246 760 HZ1 LYS 93 1HZ LYS 93 -0.609 13.445 16.047 761 HZ2 LYS 93 2HZ LYS 93 0.557 14.514 15.643 762 HZ3 LYS 93 3HZ LYS 93 -0.926 14.629 14.968 763 H PHE 94 H PHE 94 3.083 9.259 9.762 764 HA PHE 94 HA PHE 94 5.036 8.248 9.533 765 HB2 PHE 94 1HB PHE 94 5.538 10.753 10.143 766 HB3 PHE 94 2HB PHE 94 5.924 10.177 11.753 767 HD1 PHE 94 1HD PHE 94 6.906 9.891 8.192 768 HD2 PHE 94 2HD PHE 94 8.041 9.259 12.232 769 HE1 PHE 94 1HE PHE 94 9.257 9.409 7.456 770 HE2 PHE 94 2HE PHE 94 10.392 8.778 11.496 771 HZ PHE 94 HZ PHE 94 10.972 8.859 9.117 772 H GLN 95 H GLN 95 7.116 7.349 10.891 773 HA GLN 95 HA GLN 95 7.851 5.902 12.334 774 HB2 GLN 95 1HB GLN 95 7.514 7.329 14.182 775 HB3 GLN 95 2HB GLN 95 5.768 7.254 14.058 776 HG2 GLN 95 1HG GLN 95 5.646 5.115 15.060 777 HG3 GLN 95 2HG GLN 95 7.302 4.713 14.651 778 HE21 GLN 95 1HE2 GLN 95 5.585 4.968 17.190 779 HE22 GLN 95 2HE2 GLN 95 6.586 5.828 18.311 780 H ASP 96 H ASP 96 4.268 5.832 12.999 781 HA ASP 96 HA ASP 96 4.082 3.148 13.311 782 HB2 ASP 96 1HB ASP 96 2.160 5.255 12.283 783 HB3 ASP 96 2HB ASP 96 1.653 3.578 12.319 784 H ASN 97 H ASN 97 4.665 5.040 10.424 785 HA ASN 97 HA ASN 97 3.697 2.987 8.666 786 HB2 ASN 97 1HB ASN 97 4.505 5.818 8.459 787 HB3 ASN 97 2HB ASN 97 5.206 4.863 7.167 788 HD21 ASN 97 1HD2 ASN 97 2.255 5.903 8.730 789 HD22 ASN 97 2HD2 ASN 97 1.154 5.548 7.440 790 H PHE 98 H PHE 98 6.778 4.566 9.737 791 HA PHE 98 HA PHE 98 8.450 3.046 8.054 792 HB2 PHE 98 1HB PHE 98 8.878 5.286 9.277 793 HB3 PHE 98 2HB PHE 98 8.982 4.381 10.775 794 HD1 PHE 98 2HD PHE 98 10.682 2.262 10.545 795 HD2 PHE 98 1HD PHE 98 10.884 5.873 8.326 796 HE1 PHE 98 2HE PHE 98 13.130 1.880 10.145 797 HE2 PHE 98 1HE PHE 98 13.332 5.491 7.926 798 HZ PHE 98 HZ PHE 98 14.426 3.499 8.840 799 H GLU 99 H GLU 99 7.143 2.598 11.360 800 HA GLU 99 HA GLU 99 8.880 0.414 11.884 801 HB2 GLU 99 1HB GLU 99 6.357 1.336 13.332 802 HB3 GLU 99 2HB GLU 99 7.496 0.155 13.946 803 HG2 GLU 99 1HG GLU 99 8.463 2.911 13.119 804 HG3 GLU 99 2HG GLU 99 7.723 2.676 14.690 805 H PHE 100 H PHE 100 6.207 0.815 9.869 806 HA PHE 100 HA PHE 100 5.316 -1.945 10.285 807 HB2 PHE 100 1HB PHE 100 3.452 -0.427 10.346 808 HB3 PHE 100 2HB PHE 100 4.174 0.646 9.164 809 HD1 PHE 100 2HD PHE 100 4.215 -0.064 6.743 810 HD2 PHE 100 1HD PHE 100 1.969 -2.143 9.683 811 HE1 PHE 100 2HE PHE 100 2.829 -1.120 4.937 812 HE2 PHE 100 1HE PHE 100 0.582 -3.199 7.876 813 HZ PHE 100 HZ PHE 100 1.029 -2.675 5.525 814 H VAL 101 H VAL 101 6.300 0.462 7.763 815 HA VAL 101 HA VAL 101 6.165 -1.304 5.610 816 HB VAL 101 HB VAL 101 6.227 1.061 5.301 817 HG11 VAL 101 1HG1 VAL 101 7.614 2.494 6.333 818 HG12 VAL 101 2HG1 VAL 101 8.070 1.112 7.358 819 HG13 VAL 101 3HG1 VAL 101 9.055 1.529 5.935 820 HG21 VAL 101 1HG2 VAL 101 8.708 0.977 4.004 821 HG22 VAL 101 2HG2 VAL 101 8.150 -0.713 4.032 822 HG23 VAL 101 3HG2 VAL 101 7.121 0.552 3.317 823 H GLN 102 H GLN 102 8.764 -0.565 7.988 824 HA GLN 102 HA GLN 102 10.820 -1.848 6.755 825 HB2 GLN 102 1HB GLN 102 11.692 -2.212 9.127 826 HB3 GLN 102 2HB GLN 102 11.256 -0.563 8.726 827 HG2 GLN 102 1HG GLN 102 10.002 -0.622 10.632 828 HG3 GLN 102 2HG GLN 102 8.844 -1.524 9.675 829 HE21 GLN 102 1HE2 GLN 102 9.182 -1.715 12.463 830 HE22 GLN 102 2HE2 GLN 102 9.689 -3.320 12.871 831 H TRP 103 H TRP 103 8.273 -3.218 8.933 832 HA TRP 103 HA TRP 103 9.301 -5.818 8.986 833 HB2 TRP 103 1HB TRP 103 7.721 -5.099 10.621 834 HB3 TRP 103 2HB TRP 103 6.526 -4.706 9.400 835 HD1 TRP 103 HD TRP 103 7.916 -7.699 11.337 836 HE1 TRP 103 1HE TRP 103 6.457 -9.865 10.961 837 HE3 TRP 103 3HE TRP 103 5.057 -5.763 7.604 838 HZ2 TRP 103 2HZ TRP 103 4.319 -10.512 9.184 839 HZ3 TRP 103 3HZ TRP 103 3.307 -7.228 6.602 840 HH2 TRP 103 HH TRP 103 2.916 -9.527 7.335 841 H PHE 104 H PHE 104 6.575 -4.376 7.043 842 HA PHE 104 HA PHE 104 5.945 -6.460 5.480 843 HB2 PHE 104 1HB PHE 104 5.950 -3.511 5.387 844 HB3 PHE 104 2HB PHE 104 6.162 -4.154 3.771 845 HD1 PHE 104 2HD PHE 104 3.943 -4.344 6.742 846 HD2 PHE 104 1HD PHE 104 4.325 -4.958 2.561 847 HE1 PHE 104 2HE PHE 104 1.470 -4.741 6.575 848 HE2 PHE 104 1HE PHE 104 1.852 -5.355 2.393 849 HZ PHE 104 HZ PHE 104 0.454 -5.242 4.403 850 H LYS 105 H LYS 105 8.824 -4.330 5.138 851 HA LYS 105 HA LYS 105 9.602 -5.444 2.647 852 HB2 LYS 105 1HB LYS 105 10.200 -3.160 3.491 853 HB3 LYS 105 2HB LYS 105 11.271 -3.908 4.658 854 HG2 LYS 105 1HG LYS 105 11.678 -4.926 1.907 855 HG3 LYS 105 2HG LYS 105 11.952 -3.201 2.042 856 HD2 LYS 105 1HD LYS 105 13.334 -3.898 4.220 857 HD3 LYS 105 2HD LYS 105 13.396 -5.463 3.435 858 HE2 LYS 105 1HE LYS 105 14.003 -3.308 1.534 859 HE3 LYS 105 2HE LYS 105 15.074 -3.243 2.920 860 HZ1 LYS 105 1HZ LYS 105 15.542 -5.589 2.568 861 HZ2 LYS 105 2HZ LYS 105 14.586 -5.607 1.244 862 HZ3 LYS 105 3HZ LYS 105 15.943 -4.699 1.259 863 H LYS 106 H LYS 106 11.016 -5.746 5.987 864 HA LYS 106 HA LYS 106 12.864 -7.631 5.533 865 HB2 LYS 106 1HB LYS 106 11.295 -6.722 7.801 866 HB3 LYS 106 2HB LYS 106 11.646 -8.433 7.936 867 HG2 LYS 106 1HG LYS 106 13.507 -7.291 8.948 868 HG3 LYS 106 2HG LYS 106 14.087 -7.894 7.408 869 HD2 LYS 106 1HD LYS 106 14.865 -5.676 7.377 870 HD3 LYS 106 2HD LYS 106 13.374 -5.543 6.466 871 HE2 LYS 106 1HE LYS 106 12.721 -3.943 7.940 872 HE3 LYS 106 2HE LYS 106 12.543 -5.212 9.135 873 HZ1 LYS 106 1HZ LYS 106 14.756 -3.378 8.749 874 HZ2 LYS 106 2HZ LYS 106 14.034 -3.854 10.134 875 HZ3 LYS 106 3HZ LYS 106 15.082 -4.851 9.375 876 H PHE 107 H PHE 107 9.345 -8.281 6.137 877 HA PHE 107 HA PHE 107 9.493 -11.027 5.923 878 HB2 PHE 107 1HB PHE 107 7.550 -9.535 6.664 879 HB3 PHE 107 2HB PHE 107 7.319 -9.054 4.995 880 HD1 PHE 107 1HD PHE 107 6.797 -10.941 3.302 881 HD2 PHE 107 2HD PHE 107 6.427 -11.395 7.505 882 HE1 PHE 107 1HE PHE 107 5.249 -12.886 2.956 883 HE2 PHE 107 2HE PHE 107 4.879 -13.340 7.159 884 HZ PHE 107 HZ PHE 107 4.308 -14.063 4.888 885 H PHE 108 H PHE 108 8.712 -8.578 3.350 886 HA PHE 108 HA PHE 108 8.331 -10.337 1.286 887 HB2 PHE 108 1HB PHE 108 9.261 -7.493 1.709 888 HB3 PHE 108 2HB PHE 108 9.561 -8.150 0.112 889 HD1 PHE 108 1HD PHE 108 6.673 -8.556 2.447 890 HD2 PHE 108 2HD PHE 108 8.033 -7.221 -1.345 891 HE1 PHE 108 1HE PHE 108 4.310 -8.028 1.785 892 HE2 PHE 108 2HE PHE 108 5.670 -6.694 -2.007 893 HZ PHE 108 HZ PHE 108 3.837 -7.104 -0.434 894 H ASP 109 H ASP 109 11.380 -9.119 2.719 895 HA ASP 109 HA ASP 109 12.877 -10.395 0.618 896 HB2 ASP 109 1HB ASP 109 13.310 -8.251 2.497 897 HB3 ASP 109 2HB ASP 109 14.528 -9.471 2.809 898 H SER 110 H SER 110 11.171 -11.946 2.576 899 HA SER 110 HA SER 110 12.392 -12.995 4.689 900 HB2 SER 110 1HB SER 110 11.154 -15.129 4.180 901 HB3 SER 110 2HB SER 110 10.163 -13.690 4.047 902 HG SER 110 HG SER 110 10.062 -15.367 2.249 903 H GLY 111 H GLY 111 12.835 -14.091 1.253 904 HA2 GLY 111 1HA GLY 111 15.517 -15.037 1.964 905 HA3 GLY 111 2HA GLY 111 14.386 -16.194 1.289 906 HA PRO 112 HA PRO 112 15.610 -12.940 -1.975 907 HB2 PRO 112 1HB PRO 112 18.113 -11.877 -1.702 908 HB3 PRO 112 2HB PRO 112 16.658 -11.044 -1.193 909 HG2 PRO 112 1HG PRO 112 18.695 -12.397 0.467 910 HG3 PRO 112 2HG PRO 112 17.491 -11.219 0.950 911 HD2 PRO 112 1HD PRO 112 17.398 -14.050 1.399 912 HD3 PRO 112 2HD PRO 112 16.143 -12.887 1.778 913 H SER 113 H SER 113 18.284 -14.767 -0.596 914 HA SER 113 HA SER 113 18.259 -16.378 -2.951 915 HB2 SER 113 1HB SER 113 20.546 -15.993 -3.630 916 HB3 SER 113 2HB SER 113 19.747 -14.435 -3.565 917 HG SER 113 HG SER 113 21.502 -13.948 -2.394 918 H SER 114 H SER 114 17.956 -18.263 -1.760 919 HA SER 114 HA SER 114 19.532 -18.614 0.621 920 HB2 SER 114 1HB SER 114 18.148 -20.646 0.949 921 HB3 SER 114 2HB SER 114 17.154 -19.226 0.691 922 HG SER 114 HG SER 114 17.137 -21.533 -0.706 923 H GLY 115 H GLY 115 21.371 -19.885 0.732 924 HA2 GLY 115 1HA GLY 115 22.084 -21.383 -1.712 925 HA3 GLY 115 2HA GLY 115 23.216 -20.645 -0.596 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 20.903 1.808 -5.805 2 HA2 GLY 1 1HA GLY 1 19.847 4.026 -6.311 3 HA3 GLY 1 2HA GLY 1 19.979 4.342 -4.592 4 H SER 2 H SER 2 21.813 5.340 -3.856 5 HA SER 2 HA SER 2 24.204 5.000 -5.474 6 HB2 SER 2 1HB SER 2 23.238 7.669 -4.355 7 HB3 SER 2 2HB SER 2 24.718 7.411 -5.257 8 HG SER 2 HG SER 2 23.487 7.902 -6.948 9 H SER 3 H SER 3 26.231 5.365 -4.246 10 HA SER 3 HA SER 3 25.938 4.446 -1.590 11 HB2 SER 3 1HB SER 3 28.336 5.285 -3.266 12 HB3 SER 3 2HB SER 3 28.504 4.752 -1.605 13 HG SER 3 HG SER 3 26.924 2.962 -2.938 14 H GLY 4 H GLY 4 25.734 5.678 0.249 15 HA2 GLY 4 1HA GLY 4 27.055 7.739 1.187 16 HA3 GLY 4 2HA GLY 4 26.079 8.575 -0.005 17 H SER 5 H SER 5 26.087 6.831 3.075 18 HA SER 5 HA SER 5 23.784 8.157 3.905 19 HB2 SER 5 1HB SER 5 22.839 6.304 2.353 20 HB3 SER 5 2HB SER 5 23.346 5.165 3.585 21 HG SER 5 HG SER 5 21.741 7.436 4.311 22 H SER 6 H SER 6 23.780 8.183 6.167 23 HA SER 6 HA SER 6 25.213 6.050 7.495 24 HB2 SER 6 1HB SER 6 25.935 8.991 7.581 25 HB3 SER 6 2HB SER 6 26.268 7.970 8.965 26 HG SER 6 HG SER 6 27.974 7.197 7.942 27 H GLY 7 H GLY 7 23.481 9.222 7.929 28 HA2 GLY 7 1HA GLY 7 21.865 7.923 10.038 29 HA3 GLY 7 2HA GLY 7 22.525 9.535 10.226 30 H GLN 8 H GLN 8 20.175 7.516 8.455 31 HA GLN 8 HA GLN 8 18.488 9.764 8.163 32 HB2 GLN 8 1HB GLN 8 20.236 9.053 5.936 33 HB3 GLN 8 2HB GLN 8 18.557 8.851 5.476 34 HG2 GLN 8 1HG GLN 8 18.539 11.099 5.112 35 HG3 GLN 8 2HG GLN 8 18.486 11.268 6.855 36 HE21 GLN 8 1HE2 GLN 8 19.535 13.273 5.474 37 HE22 GLN 8 2HE2 GLN 8 21.257 13.366 5.635 38 H ARG 9 H ARG 9 19.196 6.505 6.699 39 HA ARG 9 HA ARG 9 17.839 4.856 6.215 40 HB2 ARG 9 1HB ARG 9 17.809 5.347 9.116 41 HB3 ARG 9 2HB ARG 9 16.363 4.496 8.611 42 HG2 ARG 9 1HG ARG 9 18.453 3.229 7.187 43 HG3 ARG 9 2HG ARG 9 19.127 3.519 8.778 44 HD2 ARG 9 1HD ARG 9 16.697 2.586 9.547 45 HD3 ARG 9 2HD ARG 9 16.794 1.789 7.989 46 HE ARG 9 HE ARG 9 18.404 1.193 10.350 47 HH11 ARG 9 2HH2 ARG 9 18.324 1.030 6.836 48 HH12 ARG 9 1HH2 ARG 9 19.459 -0.275 6.743 49 HH21 ARG 9 2HH1 ARG 9 19.901 -0.529 10.229 50 HH22 ARG 9 1HH1 ARG 9 20.362 -1.168 8.686 51 H ARG 10 H ARG 10 16.364 5.668 4.637 52 HA ARG 10 HA ARG 10 13.693 5.718 5.471 53 HB2 ARG 10 1HB ARG 10 15.097 8.330 5.032 54 HB3 ARG 10 2HB ARG 10 13.538 8.179 4.246 55 HG2 ARG 10 1HG ARG 10 13.181 7.121 6.871 56 HG3 ARG 10 2HG ARG 10 14.133 8.578 7.074 57 HD2 ARG 10 1HD ARG 10 11.636 8.556 5.330 58 HD3 ARG 10 2HD ARG 10 11.534 8.817 7.060 59 HE ARG 10 HE ARG 10 12.516 10.711 5.079 60 HH11 ARG 10 2HH2 ARG 10 12.806 9.734 8.448 61 HH12 ARG 10 1HH2 ARG 10 13.342 11.290 8.986 62 HH21 ARG 10 2HH1 ARG 10 13.224 12.765 5.789 63 HH22 ARG 10 1HH1 ARG 10 13.581 13.026 7.464 64 H HIS 11 H HIS 11 15.757 7.270 2.891 65 HA HIS 11 HA HIS 11 14.049 6.612 0.804 66 HB2 HIS 11 1HB HIS 11 16.551 7.922 1.175 67 HB3 HIS 11 2HB HIS 11 16.769 6.743 -0.104 68 HD1 HIS 11 1HD HIS 11 16.218 10.120 0.034 69 HD2 HIS 11 2HD HIS 11 14.024 7.046 -1.791 70 HE1 HIS 11 1HE HIS 11 14.828 11.225 -1.799 71 H ASP 12 H ASP 12 16.055 4.619 2.763 72 HA ASP 12 HA ASP 12 16.965 2.776 0.956 73 HB2 ASP 12 1HB ASP 12 17.617 2.802 3.334 74 HB3 ASP 12 2HB ASP 12 15.979 2.417 3.823 75 H MET 13 H MET 13 13.790 3.176 2.618 76 HA MET 13 HA MET 13 12.803 0.741 1.457 77 HB2 MET 13 1HB MET 13 11.254 2.883 3.002 78 HB3 MET 13 2HB MET 13 10.818 1.195 2.822 79 HG2 MET 13 1HG MET 13 13.324 2.180 4.273 80 HG3 MET 13 2HG MET 13 11.831 1.734 5.074 81 HE1 MET 13 1HE MET 13 10.745 -0.932 3.655 82 HE2 MET 13 2HE MET 13 11.555 -1.992 4.833 83 HE3 MET 13 3HE MET 13 10.894 -0.424 5.355 84 H LEU 14 H LEU 14 12.041 4.292 1.334 85 HA LEU 14 HA LEU 14 9.989 4.339 -0.385 86 HB2 LEU 14 1HB LEU 14 12.336 6.191 -0.719 87 HB3 LEU 14 2HB LEU 14 10.636 6.525 -0.980 88 HG LEU 14 HG LEU 14 12.151 6.313 1.606 89 HD11 LEU 14 1HD1 LEU 14 10.297 8.347 0.356 90 HD12 LEU 14 2HD1 LEU 14 10.825 8.420 2.055 91 HD13 LEU 14 3HD1 LEU 14 12.026 8.515 0.745 92 HD21 LEU 14 1HD2 LEU 14 10.483 5.037 2.427 93 HD22 LEU 14 2HD2 LEU 14 9.626 6.594 2.518 94 HD23 LEU 14 3HD2 LEU 14 9.342 5.501 1.142 95 H ALA 15 H ALA 15 13.464 3.869 -1.254 96 HA ALA 15 HA ALA 15 13.036 3.807 -4.021 97 HB1 ALA 15 1HB ALA 15 15.289 3.328 -4.117 98 HB2 ALA 15 2HB ALA 15 15.200 3.942 -2.448 99 HB3 ALA 15 3HB ALA 15 15.217 2.188 -2.752 100 H TRP 16 H TRP 16 13.188 1.202 -1.506 101 HA TRP 16 HA TRP 16 13.027 -1.005 -3.050 102 HB2 TRP 16 1HB TRP 16 13.189 -0.999 -0.612 103 HB3 TRP 16 2HB TRP 16 11.525 -0.463 -0.483 104 HD1 TRP 16 HD TRP 16 13.306 -3.520 -2.179 105 HE1 TRP 16 1HE TRP 16 11.899 -5.721 -1.806 106 HE3 TRP 16 3HE TRP 16 9.518 -1.291 0.378 107 HZ2 TRP 16 2HZ TRP 16 9.415 -6.270 -0.513 108 HZ3 TRP 16 3HZ TRP 16 7.640 -2.731 1.161 109 HH2 TRP 16 HH TRP 16 7.549 -5.140 0.753 110 H ILE 17 H ILE 17 10.082 0.606 -1.637 111 HA ILE 17 HA ILE 17 8.252 -0.687 -3.218 112 HB ILE 17 HB ILE 17 8.295 1.904 -1.731 113 HG12 ILE 17 1HG1 ILE 17 6.142 0.122 -1.087 114 HG13 ILE 17 2HG1 ILE 17 7.623 -0.810 -1.176 115 HG21 ILE 17 1HG2 ILE 17 6.876 2.708 -3.331 116 HG22 ILE 17 2HG2 ILE 17 6.294 1.091 -3.796 117 HG23 ILE 17 3HG2 ILE 17 5.710 1.850 -2.296 118 HD11 ILE 17 1HD1 ILE 17 7.491 1.827 0.336 119 HD12 ILE 17 2HD1 ILE 17 7.073 0.274 1.099 120 HD13 ILE 17 3HD1 ILE 17 8.717 0.544 0.471 121 H ASN 18 H ASN 18 9.616 2.642 -3.764 122 HA ASN 18 HA ASN 18 8.462 3.220 -6.079 123 HB2 ASN 18 1HB ASN 18 11.339 3.656 -5.166 124 HB3 ASN 18 2HB ASN 18 10.776 4.319 -6.687 125 HD21 ASN 18 1HD2 ASN 18 11.685 5.937 -4.692 126 HD22 ASN 18 2HD2 ASN 18 10.399 6.882 -4.019 127 H GLU 19 H GLU 19 11.902 2.050 -6.135 128 HA GLU 19 HA GLU 19 12.091 1.320 -8.660 129 HB2 GLU 19 1HB GLU 19 13.513 0.774 -6.272 130 HB3 GLU 19 2HB GLU 19 13.283 -0.791 -7.026 131 HG2 GLU 19 1HG GLU 19 14.036 1.271 -8.993 132 HG3 GLU 19 2HG GLU 19 15.227 1.125 -7.716 133 H SER 20 H SER 20 11.352 -1.218 -6.155 134 HA SER 20 HA SER 20 10.698 -3.232 -7.712 135 HB2 SER 20 1HB SER 20 9.359 -2.260 -5.168 136 HB3 SER 20 2HB SER 20 8.853 -3.756 -5.927 137 HG SER 20 HG SER 20 10.577 -4.731 -5.125 138 H LEU 21 H LEU 21 8.520 -0.456 -6.909 139 HA LEU 21 HA LEU 21 6.644 -1.461 -8.924 140 HB2 LEU 21 1HB LEU 21 6.209 0.609 -6.768 141 HB3 LEU 21 2HB LEU 21 5.001 -0.027 -7.867 142 HG LEU 21 HG LEU 21 6.484 -1.679 -5.803 143 HD11 LEU 21 1HD1 LEU 21 3.991 -0.062 -5.649 144 HD12 LEU 21 2HD1 LEU 21 3.978 -1.666 -4.877 145 HD13 LEU 21 3HD1 LEU 21 5.191 -0.457 -4.395 146 HD21 LEU 21 1HD2 LEU 21 4.255 -2.316 -7.737 147 HD22 LEU 21 2HD2 LEU 21 5.815 -3.143 -7.516 148 HD23 LEU 21 3HD2 LEU 21 4.552 -3.280 -6.271 149 H GLN 22 H GLN 22 5.740 1.624 -8.598 150 HA GLN 22 HA GLN 22 7.803 2.751 -10.269 151 HB2 GLN 22 1HB GLN 22 4.998 2.127 -11.169 152 HB3 GLN 22 2HB GLN 22 5.731 3.611 -11.745 153 HG2 GLN 22 1HG GLN 22 7.554 1.280 -11.908 154 HG3 GLN 22 2HG GLN 22 6.098 1.079 -12.862 155 HE21 GLN 22 1HE2 GLN 22 7.537 1.136 -14.677 156 HE22 GLN 22 2HE2 GLN 22 8.052 2.644 -15.357 157 H LEU 23 H LEU 23 7.198 3.296 -7.559 158 HA LEU 23 HA LEU 23 5.558 5.703 -7.628 159 HB2 LEU 23 1HB LEU 23 6.726 4.052 -5.391 160 HB3 LEU 23 2HB LEU 23 5.943 5.597 -5.130 161 HG LEU 23 HG LEU 23 4.307 3.984 -4.659 162 HD11 LEU 23 1HD1 LEU 23 3.712 4.745 -7.527 163 HD12 LEU 23 2HD1 LEU 23 2.553 4.415 -6.217 164 HD13 LEU 23 3HD1 LEU 23 3.582 5.866 -6.151 165 HD21 LEU 23 1HD2 LEU 23 4.797 1.909 -5.353 166 HD22 LEU 23 2HD2 LEU 23 3.810 2.333 -6.772 167 HD23 LEU 23 3HD2 LEU 23 5.583 2.479 -6.845 168 H ASN 24 H ASN 24 6.789 7.215 -5.615 169 HA ASN 24 HA ASN 24 9.536 7.483 -6.093 170 HB2 ASN 24 1HB ASN 24 8.238 8.524 -8.203 171 HB3 ASN 24 2HB ASN 24 7.982 9.877 -7.120 172 HD21 ASN 24 1HD2 ASN 24 10.256 8.028 -8.955 173 HD22 ASN 24 2HD2 ASN 24 11.638 9.058 -8.776 174 H LEU 25 H LEU 25 7.968 7.203 -3.775 175 HA LEU 25 HA LEU 25 7.202 9.718 -2.699 176 HB2 LEU 25 1HB LEU 25 7.755 7.175 -1.182 177 HB3 LEU 25 2HB LEU 25 6.723 8.512 -0.713 178 HG LEU 25 HG LEU 25 6.196 6.647 -3.044 179 HD11 LEU 25 1HD1 LEU 25 4.226 6.010 -1.431 180 HD12 LEU 25 2HD1 LEU 25 5.830 5.259 -1.249 181 HD13 LEU 25 3HD1 LEU 25 5.343 6.591 -0.172 182 HD21 LEU 25 1HD2 LEU 25 3.814 7.776 -2.542 183 HD22 LEU 25 2HD2 LEU 25 4.878 9.121 -2.065 184 HD23 LEU 25 3HD2 LEU 25 4.985 8.440 -3.706 185 H THR 26 H THR 26 8.244 10.947 -1.039 186 HA THR 26 HA THR 26 11.157 10.537 -1.032 187 HB THR 26 HB THR 26 11.096 13.032 -0.404 188 HG1 THR 26 1HG THR 26 9.001 13.495 0.195 189 HG21 THR 26 1HG2 THR 26 10.142 11.871 -3.007 190 HG22 THR 26 2HG2 THR 26 9.827 13.605 -2.755 191 HG23 THR 26 3HG2 THR 26 11.495 12.985 -2.697 192 H LYS 27 H LYS 27 8.301 10.257 0.875 193 HA LYS 27 HA LYS 27 10.014 9.980 3.235 194 HB2 LYS 27 1HB LYS 27 7.337 11.404 3.154 195 HB3 LYS 27 2HB LYS 27 8.224 11.005 4.611 196 HG2 LYS 27 1HG LYS 27 9.405 12.689 2.356 197 HG3 LYS 27 2HG LYS 27 8.566 13.385 3.728 198 HD2 LYS 27 1HD LYS 27 10.400 11.602 4.907 199 HD3 LYS 27 2HD LYS 27 11.297 12.291 3.569 200 HE2 LYS 27 1HE LYS 27 9.734 14.017 5.539 201 HE3 LYS 27 2HE LYS 27 11.408 13.573 5.807 202 HZ1 LYS 27 1HZ LYS 27 11.553 14.460 3.342 203 HZ2 LYS 27 2HZ LYS 27 10.296 15.368 3.852 204 HZ3 LYS 27 3HZ LYS 27 11.726 15.438 4.638 205 H ILE 28 H ILE 28 8.899 8.615 4.962 206 HA ILE 28 HA ILE 28 7.850 6.296 3.645 207 HB ILE 28 HB ILE 28 8.548 6.955 6.501 208 HG12 ILE 28 1HG1 ILE 28 10.256 6.518 4.512 209 HG13 ILE 28 2HG1 ILE 28 10.548 5.941 6.141 210 HG21 ILE 28 1HG2 ILE 28 8.102 4.676 7.110 211 HG22 ILE 28 2HG2 ILE 28 6.628 5.371 6.394 212 HG23 ILE 28 3HG2 ILE 28 7.646 4.266 5.439 213 HD11 ILE 28 1HD1 ILE 28 9.282 4.314 3.886 214 HD12 ILE 28 2HD1 ILE 28 10.945 4.138 4.498 215 HD13 ILE 28 3HD1 ILE 28 9.564 3.727 5.543 216 H GLU 29 H GLU 29 6.641 9.019 5.599 217 HA GLU 29 HA GLU 29 4.215 7.903 6.295 218 HB2 GLU 29 1HB GLU 29 5.498 10.499 6.382 219 HB3 GLU 29 2HB GLU 29 3.840 10.705 5.851 220 HG2 GLU 29 1HG GLU 29 3.338 8.997 7.862 221 HG3 GLU 29 2HG GLU 29 4.875 9.590 8.459 222 H GLN 30 H GLN 30 5.459 8.716 3.201 223 HA GLN 30 HA GLN 30 3.141 9.635 1.972 224 HB2 GLN 30 1HB GLN 30 5.731 8.406 1.039 225 HB3 GLN 30 2HB GLN 30 4.424 8.563 -0.118 226 HG2 GLN 30 1HG GLN 30 4.917 10.994 1.541 227 HG3 GLN 30 2HG GLN 30 6.234 10.561 0.469 228 HE21 GLN 30 1HE2 GLN 30 6.027 12.163 -0.983 229 HE22 GLN 30 2HE2 GLN 30 4.675 12.383 -2.043 230 H LEU 31 H LEU 31 3.879 6.594 3.342 231 HA LEU 31 HA LEU 31 2.197 5.130 1.474 232 HB2 LEU 31 1HB LEU 31 3.421 3.916 3.909 233 HB3 LEU 31 2HB LEU 31 3.082 3.199 2.347 234 HG LEU 31 HG LEU 31 5.084 5.344 2.217 235 HD11 LEU 31 1HD1 LEU 31 5.375 4.121 4.531 236 HD12 LEU 31 2HD1 LEU 31 6.102 2.850 3.519 237 HD13 LEU 31 3HD1 LEU 31 6.780 4.496 3.504 238 HD21 LEU 31 1HD2 LEU 31 5.917 2.689 1.384 239 HD22 LEU 31 2HD2 LEU 31 4.321 3.119 0.725 240 HD23 LEU 31 3HD2 LEU 31 5.719 4.181 0.432 241 H CYS 32 H CYS 32 1.046 7.324 3.037 242 HA CYS 32 HA CYS 32 -0.449 5.951 5.100 243 HB2 CYS 32 1HB CYS 32 -1.245 8.105 5.764 244 HB3 CYS 32 2HB CYS 32 0.477 8.250 5.473 245 HG CYS 32 HG CYS 32 0.442 9.854 3.719 246 H SER 33 H SER 33 -0.781 4.974 2.402 247 HA SER 33 HA SER 33 -3.527 5.841 1.949 248 HB2 SER 33 1HB SER 33 -3.046 5.196 -0.520 249 HB3 SER 33 2HB SER 33 -2.415 6.723 0.064 250 HG SER 33 HG SER 33 -0.476 6.025 -0.480 251 H GLY 34 H GLY 34 -1.159 3.246 0.966 252 HA2 GLY 34 1HA GLY 34 -1.365 1.016 1.731 253 HA3 GLY 34 2HA GLY 34 -3.094 1.237 1.917 254 H ALA 35 H ALA 35 -0.889 2.080 -0.842 255 HA ALA 35 HA ALA 35 -2.534 0.294 -2.503 256 HB1 ALA 35 1HB ALA 35 -2.122 3.107 -2.682 257 HB2 ALA 35 2HB ALA 35 -1.226 2.362 -4.028 258 HB3 ALA 35 3HB ALA 35 -2.967 2.047 -3.836 259 H ALA 36 H ALA 36 0.701 1.906 -2.149 260 HA ALA 36 HA ALA 36 2.148 0.591 -3.982 261 HB1 ALA 36 1HB ALA 36 3.934 0.613 -1.969 262 HB2 ALA 36 2HB ALA 36 3.398 2.102 -2.783 263 HB3 ALA 36 3HB ALA 36 2.677 1.630 -1.226 264 H TYR 37 H TYR 37 1.616 -0.634 -0.594 265 HA TYR 37 HA TYR 37 2.843 -3.039 -0.817 266 HB2 TYR 37 1HB TYR 37 0.077 -2.473 0.414 267 HB3 TYR 37 2HB TYR 37 1.224 -3.667 0.987 268 HD1 TYR 37 2HD TYR 37 3.498 -2.799 1.886 269 HD2 TYR 37 1HD TYR 37 0.074 -0.299 1.311 270 HE1 TYR 37 2HE TYR 37 4.472 -1.084 3.490 271 HE2 TYR 37 1HE TYR 37 1.060 1.408 2.917 272 HH TYR 37 HH TYR 37 3.280 0.793 5.057 273 H CYS 38 H CYS 38 -0.615 -2.317 -1.669 274 HA CYS 38 HA CYS 38 -1.381 -4.822 -2.378 275 HB2 CYS 38 1HB CYS 38 -2.232 -2.077 -3.106 276 HB3 CYS 38 2HB CYS 38 -2.720 -3.329 -4.230 277 HG CYS 38 HG CYS 38 -3.627 -2.622 -1.240 278 H GLN 39 H GLN 39 0.232 -2.282 -4.417 279 HA GLN 39 HA GLN 39 0.298 -3.706 -6.747 280 HB2 GLN 39 1HB GLN 39 1.373 -1.272 -5.740 281 HB3 GLN 39 2HB GLN 39 2.736 -2.144 -6.415 282 HG2 GLN 39 1HG GLN 39 0.831 -2.570 -8.370 283 HG3 GLN 39 2HG GLN 39 0.358 -0.985 -7.791 284 HE21 GLN 39 1HE2 GLN 39 1.938 0.710 -7.731 285 HE22 GLN 39 2HE2 GLN 39 3.249 0.744 -8.863 286 H PHE 40 H PHE 40 2.887 -3.461 -4.200 287 HA PHE 40 HA PHE 40 4.720 -5.128 -5.324 288 HB2 PHE 40 1HB PHE 40 4.077 -3.903 -2.803 289 HB3 PHE 40 2HB PHE 40 4.343 -5.595 -2.433 290 HD1 PHE 40 2HD PHE 40 6.471 -6.233 -4.434 291 HD2 PHE 40 1HD PHE 40 5.966 -2.873 -1.892 292 HE1 PHE 40 2HE PHE 40 8.951 -5.847 -4.451 293 HE2 PHE 40 1HE PHE 40 8.446 -2.487 -1.909 294 HZ PHE 40 HZ PHE 40 9.909 -3.979 -3.189 295 H MET 41 H MET 41 1.753 -5.983 -3.477 296 HA MET 41 HA MET 41 2.373 -8.677 -3.196 297 HB2 MET 41 1HB MET 41 -0.071 -6.918 -3.043 298 HB3 MET 41 2HB MET 41 -0.376 -8.635 -3.217 299 HG2 MET 41 1HG MET 41 1.363 -7.365 -1.045 300 HG3 MET 41 2HG MET 41 -0.271 -7.956 -0.815 301 HE1 MET 41 1HE MET 41 -0.629 -11.100 -1.575 302 HE2 MET 41 2HE MET 41 -0.039 -11.337 0.088 303 HE3 MET 41 3HE MET 41 -0.970 -9.878 -0.327 304 H ASP 42 H ASP 42 0.029 -7.090 -5.492 305 HA ASP 42 HA ASP 42 -0.656 -9.226 -6.932 306 HB2 ASP 42 1HB ASP 42 -1.547 -6.964 -7.326 307 HB3 ASP 42 2HB ASP 42 0.004 -6.418 -7.931 308 H MET 43 H MET 43 2.401 -7.355 -7.025 309 HA MET 43 HA MET 43 3.349 -8.479 -9.414 310 HB2 MET 43 1HB MET 43 4.182 -6.568 -7.396 311 HB3 MET 43 2HB MET 43 5.506 -7.692 -7.632 312 HG2 MET 43 1HG MET 43 4.194 -6.714 -10.140 313 HG3 MET 43 2HG MET 43 5.065 -5.500 -9.226 314 HE1 MET 43 1HE MET 43 7.248 -6.027 -8.089 315 HE2 MET 43 2HE MET 43 7.508 -7.781 -7.931 316 HE3 MET 43 3HE MET 43 8.606 -6.806 -8.937 317 H LEU 44 H LEU 44 3.536 -9.392 -5.959 318 HA LEU 44 HA LEU 44 5.432 -11.496 -6.535 319 HB2 LEU 44 1HB LEU 44 4.047 -10.577 -4.016 320 HB3 LEU 44 2HB LEU 44 5.120 -11.962 -4.080 321 HG LEU 44 HG LEU 44 5.857 -9.082 -4.668 322 HD11 LEU 44 1HD1 LEU 44 5.470 -9.923 -2.247 323 HD12 LEU 44 2HD1 LEU 44 7.009 -10.788 -2.475 324 HD13 LEU 44 3HD1 LEU 44 6.954 -9.016 -2.625 325 HD21 LEU 44 1HD2 LEU 44 8.232 -10.114 -4.660 326 HD22 LEU 44 2HD2 LEU 44 7.396 -11.641 -5.030 327 HD23 LEU 44 3HD2 LEU 44 7.234 -10.250 -6.127 328 H PHE 45 H PHE 45 2.111 -11.333 -5.053 329 HA PHE 45 HA PHE 45 1.692 -14.033 -6.109 330 HB2 PHE 45 1HB PHE 45 0.293 -12.358 -3.937 331 HB3 PHE 45 2HB PHE 45 -0.142 -14.009 -4.332 332 HD1 PHE 45 1HD PHE 45 1.280 -15.867 -3.661 333 HD2 PHE 45 2HD PHE 45 2.327 -11.869 -2.696 334 HE1 PHE 45 1HE PHE 45 2.955 -16.708 -1.991 335 HE2 PHE 45 2HE PHE 45 4.001 -12.710 -1.026 336 HZ PHE 45 HZ PHE 45 4.295 -15.119 -0.693 337 HA PRO 46 HA PRO 46 -1.041 -11.911 -8.844 338 HB2 PRO 46 1HB PRO 46 -1.311 -13.940 -10.654 339 HB3 PRO 46 2HB PRO 46 -0.027 -12.751 -10.733 340 HG2 PRO 46 1HG PRO 46 0.111 -15.573 -9.864 341 HG3 PRO 46 2HG PRO 46 1.416 -14.509 -10.351 342 HD2 PRO 46 1HD PRO 46 0.733 -15.272 -7.671 343 HD3 PRO 46 2HD PRO 46 1.962 -14.119 -8.152 344 H GLY 47 H GLY 47 -3.062 -11.491 -8.246 345 HA2 GLY 47 1HA GLY 47 -5.288 -12.045 -8.099 346 HA3 GLY 47 2HA GLY 47 -4.893 -13.750 -8.198 347 H SER 48 H SER 48 -3.189 -11.541 -5.969 348 HA SER 48 HA SER 48 -4.351 -13.075 -3.797 349 HB2 SER 48 1HB SER 48 -2.423 -12.374 -2.479 350 HB3 SER 48 2HB SER 48 -1.860 -13.009 -4.012 351 HG SER 48 HG SER 48 -1.531 -10.871 -4.784 352 H ILE 49 H ILE 49 -3.936 -9.792 -5.139 353 HA ILE 49 HA ILE 49 -5.619 -8.780 -2.954 354 HB ILE 49 HB ILE 49 -4.055 -6.866 -4.561 355 HG12 ILE 49 1HG1 ILE 49 -2.503 -8.843 -4.260 356 HG13 ILE 49 2HG1 ILE 49 -1.936 -7.309 -3.631 357 HG21 ILE 49 1HG2 ILE 49 -5.108 -7.178 -1.806 358 HG22 ILE 49 2HG2 ILE 49 -3.591 -6.264 -1.979 359 HG23 ILE 49 3HG2 ILE 49 -5.046 -5.749 -2.865 360 HD11 ILE 49 1HD1 ILE 49 -1.802 -9.529 -2.155 361 HD12 ILE 49 2HD1 ILE 49 -2.181 -7.960 -1.403 362 HD13 ILE 49 3HD1 ILE 49 -3.489 -9.108 -1.775 363 H ALA 50 H ALA 50 -6.353 -6.340 -4.183 364 HA ALA 50 HA ALA 50 -7.762 -7.268 -6.586 365 HB1 ALA 50 1HB ALA 50 -9.734 -7.046 -5.538 366 HB2 ALA 50 2HB ALA 50 -8.875 -6.681 -4.022 367 HB3 ALA 50 3HB ALA 50 -9.341 -5.361 -5.120 368 H LEU 51 H LEU 51 -5.532 -6.108 -7.213 369 HA LEU 51 HA LEU 51 -5.122 -3.442 -6.939 370 HB2 LEU 51 1HB LEU 51 -4.221 -5.558 -8.612 371 HB3 LEU 51 2HB LEU 51 -4.541 -4.174 -9.638 372 HG LEU 51 HG LEU 51 -2.664 -4.298 -7.267 373 HD11 LEU 51 1HD1 LEU 51 -2.270 -4.076 -10.250 374 HD12 LEU 51 2HD1 LEU 51 -1.010 -3.602 -9.085 375 HD13 LEU 51 3HD1 LEU 51 -1.607 -5.279 -9.119 376 HD21 LEU 51 1HD2 LEU 51 -2.301 -1.854 -8.597 377 HD22 LEU 51 2HD2 LEU 51 -4.058 -2.017 -8.360 378 HD23 LEU 51 3HD2 LEU 51 -2.958 -2.120 -6.964 379 H LYS 52 H LYS 52 -7.700 -5.079 -8.685 380 HA LYS 52 HA LYS 52 -8.391 -2.647 -10.112 381 HB2 LYS 52 1HB LYS 52 -9.742 -3.957 -11.445 382 HB3 LYS 52 2HB LYS 52 -8.455 -5.075 -11.041 383 HG2 LYS 52 1HG LYS 52 -10.056 -6.490 -10.272 384 HG3 LYS 52 2HG LYS 52 -10.271 -5.394 -8.921 385 HD2 LYS 52 1HD LYS 52 -11.786 -4.084 -10.764 386 HD3 LYS 52 2HD LYS 52 -11.941 -5.711 -11.398 387 HE2 LYS 52 1HE LYS 52 -12.353 -6.187 -8.717 388 HE3 LYS 52 2HE LYS 52 -12.991 -4.560 -8.848 389 HZ1 LYS 52 1HZ LYS 52 -14.625 -5.240 -10.229 390 HZ2 LYS 52 2HZ LYS 52 -13.769 -6.467 -10.884 391 HZ3 LYS 52 3HZ LYS 52 -14.433 -6.635 -9.401 392 H LYS 53 H LYS 53 -8.371 -2.342 -7.301 393 HA LYS 53 HA LYS 53 -11.086 -1.528 -6.934 394 HB2 LYS 53 1HB LYS 53 -10.801 -4.071 -6.228 395 HB3 LYS 53 2HB LYS 53 -10.121 -3.366 -4.776 396 HG2 LYS 53 1HG LYS 53 -12.138 -2.176 -4.264 397 HG3 LYS 53 2HG LYS 53 -12.769 -2.369 -5.887 398 HD2 LYS 53 1HD LYS 53 -13.934 -3.919 -4.391 399 HD3 LYS 53 2HD LYS 53 -12.956 -4.841 -5.515 400 HE2 LYS 53 1HE LYS 53 -11.128 -4.939 -3.742 401 HE3 LYS 53 2HE LYS 53 -12.234 -4.166 -2.624 402 HZ1 LYS 53 1HZ LYS 53 -13.706 -5.989 -2.814 403 HZ2 LYS 53 2HZ LYS 53 -12.854 -6.668 -4.031 404 HZ3 LYS 53 3HZ LYS 53 -12.222 -6.607 -2.526 405 H VAL 54 H VAL 54 -7.828 -2.121 -5.494 406 HA VAL 54 HA VAL 54 -7.877 -0.354 -3.439 407 HB VAL 54 HB VAL 54 -6.033 -1.819 -3.866 408 HG11 VAL 54 1HG1 VAL 54 -4.602 -1.753 -5.725 409 HG12 VAL 54 2HG1 VAL 54 -6.223 -1.518 -6.423 410 HG13 VAL 54 3HG1 VAL 54 -5.138 -0.124 -6.201 411 HG21 VAL 54 1HG2 VAL 54 -5.202 1.098 -4.016 412 HG22 VAL 54 2HG2 VAL 54 -5.504 0.140 -2.546 413 HG23 VAL 54 3HG2 VAL 54 -4.118 -0.250 -3.593 414 H LYS 55 H LYS 55 -7.170 1.890 -3.188 415 HA LYS 55 HA LYS 55 -7.806 3.450 -5.593 416 HB2 LYS 55 1HB LYS 55 -8.411 3.867 -2.677 417 HB3 LYS 55 2HB LYS 55 -8.281 5.248 -3.746 418 HG2 LYS 55 1HG LYS 55 -9.929 2.984 -4.792 419 HG3 LYS 55 2HG LYS 55 -10.586 3.794 -3.384 420 HD2 LYS 55 1HD LYS 55 -11.365 5.414 -4.767 421 HD3 LYS 55 2HD LYS 55 -9.705 5.907 -5.035 422 HE2 LYS 55 1HE LYS 55 -9.513 4.339 -6.948 423 HE3 LYS 55 2HE LYS 55 -11.134 3.741 -6.651 424 HZ1 LYS 55 1HZ LYS 55 -11.242 6.510 -6.834 425 HZ2 LYS 55 2HZ LYS 55 -10.392 5.963 -8.116 426 HZ3 LYS 55 3HZ LYS 55 -11.901 5.405 -7.840 427 H PHE 56 H PHE 56 -5.750 3.626 -6.502 428 HA PHE 56 HA PHE 56 -3.493 4.225 -4.882 429 HB2 PHE 56 1HB PHE 56 -4.238 4.095 -7.840 430 HB3 PHE 56 2HB PHE 56 -2.681 4.766 -7.397 431 HD1 PHE 56 2HD PHE 56 -4.215 2.031 -5.487 432 HD2 PHE 56 1HD PHE 56 -1.423 3.048 -8.516 433 HE1 PHE 56 2HE PHE 56 -3.249 -0.283 -5.373 434 HE2 PHE 56 1HE PHE 56 -0.457 0.734 -8.402 435 HZ PHE 56 HZ PHE 56 -1.382 -0.904 -6.832 436 H GLN 57 H GLN 57 -5.923 6.094 -6.690 437 HA GLN 57 HA GLN 57 -4.337 8.485 -6.280 438 HB2 GLN 57 1HB GLN 57 -6.258 7.599 -8.280 439 HB3 GLN 57 2HB GLN 57 -6.775 9.128 -7.599 440 HG2 GLN 57 1HG GLN 57 -4.325 9.929 -7.961 441 HG3 GLN 57 2HG GLN 57 -4.121 8.497 -8.949 442 HE21 GLN 57 1HE2 GLN 57 -4.431 8.757 -11.014 443 HE22 GLN 57 2HE2 GLN 57 -5.467 9.908 -11.790 444 H ALA 58 H ALA 58 -5.320 7.277 -3.920 445 HA ALA 58 HA ALA 58 -7.787 8.617 -3.232 446 HB1 ALA 58 1HB ALA 58 -7.697 6.510 -2.262 447 HB2 ALA 58 2HB ALA 58 -5.941 6.596 -1.982 448 HB3 ALA 58 3HB ALA 58 -7.055 7.510 -0.936 449 H LYS 59 H LYS 59 -7.964 10.525 -2.122 450 HA LYS 59 HA LYS 59 -5.428 11.704 -1.220 451 HB2 LYS 59 1HB LYS 59 -7.866 12.969 -2.486 452 HB3 LYS 59 2HB LYS 59 -6.668 13.904 -1.613 453 HG2 LYS 59 1HG LYS 59 -5.156 12.237 -3.335 454 HG3 LYS 59 2HG LYS 59 -6.518 12.756 -4.308 455 HD2 LYS 59 1HD LYS 59 -5.092 14.831 -2.641 456 HD3 LYS 59 2HD LYS 59 -4.297 14.252 -4.092 457 HE2 LYS 59 1HE LYS 59 -5.928 15.142 -5.520 458 HE3 LYS 59 2HE LYS 59 -7.199 15.034 -4.319 459 HZ1 LYS 59 1HZ LYS 59 -5.258 16.759 -3.355 460 HZ2 LYS 59 2HZ LYS 59 -5.578 17.206 -4.893 461 HZ3 LYS 59 3HZ LYS 59 -6.788 17.116 -3.800 462 H LEU 60 H LEU 60 -8.794 10.860 -0.486 463 HA LEU 60 HA LEU 60 -8.722 12.272 2.027 464 HB2 LEU 60 1HB LEU 60 -10.820 10.290 1.227 465 HB3 LEU 60 2HB LEU 60 -10.961 11.712 2.242 466 HG LEU 60 HG LEU 60 -11.979 12.560 0.419 467 HD11 LEU 60 1HD1 LEU 60 -9.464 13.518 0.670 468 HD12 LEU 60 2HD1 LEU 60 -9.437 12.996 -1.031 469 HD13 LEU 60 3HD1 LEU 60 -10.666 14.157 -0.476 470 HD21 LEU 60 1HD2 LEU 60 -11.524 10.213 -0.714 471 HD22 LEU 60 2HD2 LEU 60 -12.086 11.613 -1.658 472 HD23 LEU 60 3HD2 LEU 60 -10.363 11.165 -1.671 473 H GLU 61 H GLU 61 -9.090 11.120 4.115 474 HA GLU 61 HA GLU 61 -7.187 9.067 4.348 475 HB2 GLU 61 1HB GLU 61 -8.622 10.853 6.083 476 HB3 GLU 61 2HB GLU 61 -8.866 9.227 6.691 477 HG2 GLU 61 1HG GLU 61 -6.539 8.847 6.996 478 HG3 GLU 61 2HG GLU 61 -6.083 10.121 5.883 479 H HIS 62 H HIS 62 -10.791 9.173 4.832 480 HA HIS 62 HA HIS 62 -11.308 6.656 5.521 481 HB2 HIS 62 1HB HIS 62 -13.469 6.894 4.503 482 HB3 HIS 62 2HB HIS 62 -12.976 8.438 5.169 483 HD1 HIS 62 1HD HIS 62 -14.068 6.820 2.041 484 HD2 HIS 62 2HD HIS 62 -12.104 10.362 3.133 485 HE1 HIS 62 1HE HIS 62 -14.192 8.361 0.011 486 H GLU 63 H GLU 63 -10.361 7.795 2.249 487 HA GLU 63 HA GLU 63 -10.884 5.461 0.899 488 HB2 GLU 63 1HB GLU 63 -8.558 7.343 0.328 489 HB3 GLU 63 2HB GLU 63 -9.402 6.327 -0.824 490 HG2 GLU 63 1HG GLU 63 -11.317 8.022 0.581 491 HG3 GLU 63 2HG GLU 63 -10.033 9.010 -0.088 492 H TYR 64 H TYR 64 -7.667 6.604 2.176 493 HA TYR 64 HA TYR 64 -6.104 4.515 1.656 494 HB2 TYR 64 1HB TYR 64 -6.453 5.829 4.421 495 HB3 TYR 64 2HB TYR 64 -4.955 5.178 3.786 496 HD1 TYR 64 1HD TYR 64 -5.866 6.490 0.909 497 HD2 TYR 64 2HD TYR 64 -5.095 7.914 4.869 498 HE1 TYR 64 1HE TYR 64 -5.268 8.779 -0.022 499 HE2 TYR 64 2HE TYR 64 -4.500 10.198 3.925 500 HH TYR 64 HH TYR 64 -4.725 10.818 0.433 501 H ILE 65 H ILE 65 -8.280 4.693 4.565 502 HA ILE 65 HA ILE 65 -7.715 2.383 5.779 503 HB ILE 65 HB ILE 65 -10.293 3.823 5.301 504 HG12 ILE 65 1HG1 ILE 65 -9.984 3.889 7.920 505 HG13 ILE 65 2HG1 ILE 65 -8.316 3.513 7.537 506 HG21 ILE 65 1HG2 ILE 65 -11.346 1.827 5.539 507 HG22 ILE 65 2HG2 ILE 65 -9.976 1.071 6.386 508 HG23 ILE 65 3HG2 ILE 65 -11.061 2.179 7.261 509 HD11 ILE 65 1HD1 ILE 65 -9.496 5.651 5.841 510 HD12 ILE 65 2HD1 ILE 65 -9.364 6.057 7.569 511 HD13 ILE 65 3HD1 ILE 65 -7.913 5.585 6.651 512 H GLN 66 H GLN 66 -10.240 2.601 3.167 513 HA GLN 66 HA GLN 66 -10.639 -0.069 2.925 514 HB2 GLN 66 1HB GLN 66 -10.777 2.163 0.863 515 HB3 GLN 66 2HB GLN 66 -11.288 0.528 0.493 516 HG2 GLN 66 1HG GLN 66 -12.596 0.944 2.889 517 HG3 GLN 66 2HG GLN 66 -12.585 2.570 2.237 518 HE21 GLN 66 1HE2 GLN 66 -14.962 1.826 2.430 519 HE22 GLN 66 2HE2 GLN 66 -15.690 1.213 0.983 520 H ASN 67 H ASN 67 -8.323 1.988 1.020 521 HA ASN 67 HA ASN 67 -7.292 0.247 -0.658 522 HB2 ASN 67 1HB ASN 67 -5.564 2.025 1.142 523 HB3 ASN 67 2HB ASN 67 -5.126 1.451 -0.455 524 HD21 ASN 67 1HD2 ASN 67 -4.843 3.610 -1.096 525 HD22 ASN 67 2HD2 ASN 67 -6.178 4.632 -1.515 526 H PHE 68 H PHE 68 -6.437 0.560 2.858 527 HA PHE 68 HA PHE 68 -4.536 -1.533 2.809 528 HB2 PHE 68 1HB PHE 68 -6.146 0.051 4.867 529 HB3 PHE 68 2HB PHE 68 -5.170 -1.298 5.411 530 HD1 PHE 68 2HD PHE 68 -2.677 -1.248 4.948 531 HD2 PHE 68 1HD PHE 68 -5.168 2.147 4.424 532 HE1 PHE 68 2HE PHE 68 -0.660 0.243 5.027 533 HE2 PHE 68 1HE PHE 68 -3.151 3.639 4.503 534 HZ PHE 68 HZ PHE 68 -0.921 2.669 4.803 535 H LYS 69 H LYS 69 -8.010 -1.286 3.789 536 HA LYS 69 HA LYS 69 -8.395 -3.689 4.947 537 HB2 LYS 69 1HB LYS 69 -10.219 -2.262 2.989 538 HB3 LYS 69 2HB LYS 69 -10.717 -3.562 4.051 539 HG2 LYS 69 1HG LYS 69 -9.528 -1.947 5.894 540 HG3 LYS 69 2HG LYS 69 -9.994 -0.727 4.725 541 HD2 LYS 69 1HD LYS 69 -12.125 -0.805 5.487 542 HD3 LYS 69 2HD LYS 69 -12.241 -2.484 5.002 543 HE2 LYS 69 1HE LYS 69 -10.916 -2.943 7.262 544 HE3 LYS 69 2HE LYS 69 -11.485 -1.346 7.707 545 HZ1 LYS 69 1HZ LYS 69 -12.900 -3.686 7.802 546 HZ2 LYS 69 2HZ LYS 69 -13.471 -2.182 8.082 547 HZ3 LYS 69 3HZ LYS 69 -13.580 -2.831 6.588 548 H ILE 70 H ILE 70 -8.244 -3.009 1.398 549 HA ILE 70 HA ILE 70 -8.749 -5.664 0.638 550 HB ILE 70 HB ILE 70 -7.409 -3.357 -0.770 551 HG12 ILE 70 1HG1 ILE 70 -10.214 -4.487 -1.000 552 HG13 ILE 70 2HG1 ILE 70 -9.780 -3.034 -0.122 553 HG21 ILE 70 1HG2 ILE 70 -8.547 -5.546 -2.388 554 HG22 ILE 70 2HG2 ILE 70 -7.074 -4.576 -2.627 555 HG23 ILE 70 3HG2 ILE 70 -7.060 -5.953 -1.499 556 HD11 ILE 70 1HD1 ILE 70 -9.302 -1.820 -2.067 557 HD12 ILE 70 2HD1 ILE 70 -8.925 -3.283 -3.009 558 HD13 ILE 70 3HD1 ILE 70 -10.618 -2.876 -2.636 559 H LEU 71 H LEU 71 -5.640 -3.786 0.828 560 HA LEU 71 HA LEU 71 -3.923 -5.778 0.168 561 HB2 LEU 71 1HB LEU 71 -3.271 -3.480 0.505 562 HB3 LEU 71 2HB LEU 71 -3.613 -3.586 2.220 563 HG LEU 71 HG LEU 71 -1.156 -3.737 1.322 564 HD11 LEU 71 1HD1 LEU 71 -2.487 -4.620 3.668 565 HD12 LEU 71 2HD1 LEU 71 -1.234 -5.823 3.277 566 HD13 LEU 71 3HD1 LEU 71 -0.792 -4.110 3.475 567 HD21 LEU 71 1HD2 LEU 71 -0.342 -5.746 0.576 568 HD22 LEU 71 2HD2 LEU 71 -1.650 -6.689 1.331 569 HD23 LEU 71 3HD2 LEU 71 -1.965 -5.761 -0.155 570 H GLN 72 H GLN 72 -5.115 -5.022 3.517 571 HA GLN 72 HA GLN 72 -3.827 -7.000 4.820 572 HB2 GLN 72 1HB GLN 72 -5.164 -5.278 5.948 573 HB3 GLN 72 2HB GLN 72 -6.646 -5.937 5.286 574 HG2 GLN 72 1HG GLN 72 -6.790 -7.191 7.177 575 HG3 GLN 72 2HG GLN 72 -5.491 -8.165 6.519 576 HE21 GLN 72 1HE2 GLN 72 -3.522 -8.136 7.410 577 HE22 GLN 72 2HE2 GLN 72 -3.047 -7.182 8.776 578 H ALA 73 H ALA 73 -6.873 -7.209 2.911 579 HA ALA 73 HA ALA 73 -7.553 -9.816 3.636 580 HB1 ALA 73 1HB ALA 73 -8.664 -7.811 2.149 581 HB2 ALA 73 2HB ALA 73 -8.151 -8.931 0.864 582 HB3 ALA 73 3HB ALA 73 -9.247 -9.493 2.149 583 H GLY 74 H GLY 74 -5.090 -8.491 1.470 584 HA2 GLY 74 1HA GLY 74 -4.681 -10.740 -0.167 585 HA3 GLY 74 2HA GLY 74 -3.529 -9.465 0.178 586 H PHE 75 H PHE 75 -3.711 -9.949 3.174 587 HA PHE 75 HA PHE 75 -1.687 -11.973 3.245 588 HB2 PHE 75 1HB PHE 75 -3.135 -10.107 5.193 589 HB3 PHE 75 2HB PHE 75 -2.048 -11.333 5.816 590 HD1 PHE 75 1HD PHE 75 -0.996 -10.136 2.633 591 HD2 PHE 75 2HD PHE 75 -0.929 -9.228 6.778 592 HE1 PHE 75 1HE PHE 75 0.952 -8.597 2.265 593 HE2 PHE 75 2HE PHE 75 1.020 -7.689 6.409 594 HZ PHE 75 HZ PHE 75 1.937 -7.392 4.157 595 H LYS 76 H LYS 76 -5.024 -11.536 4.602 596 HA LYS 76 HA LYS 76 -5.094 -13.994 5.922 597 HB2 LYS 76 1HB LYS 76 -7.279 -13.472 6.405 598 HB3 LYS 76 2HB LYS 76 -6.626 -11.882 6.069 599 HG2 LYS 76 1HG LYS 76 -8.317 -11.663 4.561 600 HG3 LYS 76 2HG LYS 76 -7.389 -12.735 3.532 601 HD2 LYS 76 1HD LYS 76 -8.879 -14.438 3.789 602 HD3 LYS 76 2HD LYS 76 -8.902 -14.258 5.532 603 HE2 LYS 76 1HE LYS 76 -10.869 -13.114 5.478 604 HE3 LYS 76 2HE LYS 76 -10.269 -12.002 4.264 605 HZ1 LYS 76 1HZ LYS 76 -12.170 -13.598 3.696 606 HZ2 LYS 76 2HZ LYS 76 -11.002 -13.341 2.584 607 HZ3 LYS 76 3HZ LYS 76 -10.994 -14.710 3.475 608 H ARG 77 H ARG 77 -5.126 -13.187 2.550 609 HA ARG 77 HA ARG 77 -6.604 -15.490 1.788 610 HB2 ARG 77 1HB ARG 77 -5.121 -13.273 0.370 611 HB3 ARG 77 2HB ARG 77 -5.435 -14.741 -0.534 612 HG2 ARG 77 1HG ARG 77 -7.904 -14.499 0.296 613 HG3 ARG 77 2HG ARG 77 -7.460 -12.863 0.742 614 HD2 ARG 77 1HD ARG 77 -6.584 -12.599 -1.690 615 HD3 ARG 77 2HD ARG 77 -7.411 -14.103 -2.043 616 HE ARG 77 HE ARG 77 -8.651 -11.514 -1.664 617 HH11 ARG 77 2HH2 ARG 77 -9.176 -14.956 -1.158 618 HH12 ARG 77 1HH2 ARG 77 -10.903 -14.830 -1.210 619 HH21 ARG 77 2HH1 ARG 77 -10.929 -11.347 -1.732 620 HH22 ARG 77 1HH1 ARG 77 -11.906 -12.764 -1.538 621 H MET 78 H MET 78 -3.143 -14.400 1.725 622 HA MET 78 HA MET 78 -2.265 -16.878 0.671 623 HB2 MET 78 1HB MET 78 -0.998 -14.343 1.762 624 HB3 MET 78 2HB MET 78 0.022 -15.753 1.559 625 HG2 MET 78 1HG MET 78 -1.704 -14.540 -0.655 626 HG3 MET 78 2HG MET 78 0.011 -14.238 -0.459 627 HE1 MET 78 1HE MET 78 -0.747 -16.564 -3.541 628 HE2 MET 78 2HE MET 78 -2.283 -16.633 -2.644 629 HE3 MET 78 3HE MET 78 -1.428 -15.083 -2.827 630 H GLY 79 H GLY 79 -1.848 -15.215 3.883 631 HA2 GLY 79 1HA GLY 79 -2.484 -16.923 5.707 632 HA3 GLY 79 2HA GLY 79 -1.123 -17.814 5.057 633 H VAL 80 H VAL 80 -1.754 -14.294 5.750 634 HA VAL 80 HA VAL 80 0.700 -14.338 7.367 635 HB VAL 80 HB VAL 80 -0.318 -12.249 5.436 636 HG11 VAL 80 1HG1 VAL 80 0.536 -11.271 7.597 637 HG12 VAL 80 2HG1 VAL 80 2.112 -12.014 7.236 638 HG13 VAL 80 3HG1 VAL 80 1.438 -10.781 6.143 639 HG21 VAL 80 1HG2 VAL 80 0.916 -14.093 4.398 640 HG22 VAL 80 2HG2 VAL 80 1.859 -12.584 4.334 641 HG23 VAL 80 3HG2 VAL 80 2.269 -13.840 5.527 642 H ASP 81 H ASP 81 0.147 -14.146 9.473 643 HA ASP 81 HA ASP 81 -2.335 -12.820 10.080 644 HB2 ASP 81 1HB ASP 81 -0.438 -14.669 11.484 645 HB3 ASP 81 2HB ASP 81 -1.301 -13.543 12.512 646 H LYS 82 H LYS 82 -1.091 -10.733 9.244 647 HA LYS 82 HA LYS 82 0.471 -9.622 11.471 648 HB2 LYS 82 1HB LYS 82 1.969 -9.661 9.705 649 HB3 LYS 82 2HB LYS 82 0.737 -9.370 8.495 650 HG2 LYS 82 1HG LYS 82 1.947 -7.309 8.675 651 HG3 LYS 82 2HG LYS 82 0.433 -7.032 9.513 652 HD2 LYS 82 1HD LYS 82 1.489 -7.367 11.692 653 HD3 LYS 82 2HD LYS 82 2.976 -7.918 10.947 654 HE2 LYS 82 1HE LYS 82 3.429 -5.708 10.020 655 HE3 LYS 82 2HE LYS 82 1.834 -5.131 10.458 656 HZ1 LYS 82 1HZ LYS 82 2.693 -5.896 12.809 657 HZ2 LYS 82 2HZ LYS 82 4.140 -5.548 12.135 658 HZ3 LYS 82 3HZ LYS 82 2.982 -4.399 12.222 659 H ILE 83 H ILE 83 -0.257 -7.769 12.451 660 HA ILE 83 HA ILE 83 -2.896 -6.898 11.638 661 HB ILE 83 HB ILE 83 -1.175 -6.259 14.035 662 HG12 ILE 83 1HG1 ILE 83 -2.033 -8.605 13.843 663 HG13 ILE 83 2HG1 ILE 83 -2.573 -7.737 15.267 664 HG21 ILE 83 1HG2 ILE 83 -2.478 -4.364 13.901 665 HG22 ILE 83 2HG2 ILE 83 -3.848 -5.221 13.156 666 HG23 ILE 83 3HG2 ILE 83 -3.503 -5.433 14.889 667 HD11 ILE 83 1HD1 ILE 83 -4.685 -8.311 14.666 668 HD12 ILE 83 2HD1 ILE 83 -4.533 -7.121 13.351 669 HD13 ILE 83 3HD1 ILE 83 -4.153 -8.834 13.049 670 H ILE 84 H ILE 84 -3.045 -5.404 10.053 671 HA ILE 84 HA ILE 84 -0.838 -3.594 9.629 672 HB ILE 84 HB ILE 84 -3.427 -4.112 8.174 673 HG12 ILE 84 1HG1 ILE 84 -0.531 -4.787 7.609 674 HG13 ILE 84 2HG1 ILE 84 -1.855 -5.899 7.891 675 HG21 ILE 84 1HG2 ILE 84 -3.183 -2.299 6.894 676 HG22 ILE 84 2HG2 ILE 84 -2.122 -1.686 8.185 677 HG23 ILE 84 3HG2 ILE 84 -1.420 -2.507 6.770 678 HD11 ILE 84 1HD1 ILE 84 -1.728 -5.926 5.553 679 HD12 ILE 84 2HD1 ILE 84 -2.964 -4.672 5.811 680 HD13 ILE 84 3HD1 ILE 84 -1.283 -4.205 5.456 681 HA PRO 85 HA PRO 85 -2.786 -0.634 12.191 682 HB2 PRO 85 1HB PRO 85 -0.721 1.155 12.255 683 HB3 PRO 85 2HB PRO 85 -0.844 -0.206 13.351 684 HG2 PRO 85 1HG PRO 85 0.928 0.134 11.009 685 HG3 PRO 85 2HG PRO 85 1.075 -0.994 12.342 686 HD2 PRO 85 1HD PRO 85 0.156 -1.583 9.689 687 HD3 PRO 85 2HD PRO 85 0.194 -2.682 11.053 688 H VAL 86 H VAL 86 -4.228 -0.568 10.178 689 HA VAL 86 HA VAL 86 -3.671 1.460 8.315 690 HB VAL 86 HB VAL 86 -6.312 0.238 9.139 691 HG11 VAL 86 1HG1 VAL 86 -6.858 0.763 6.688 692 HG12 VAL 86 2HG1 VAL 86 -6.812 2.131 7.825 693 HG13 VAL 86 3HG1 VAL 86 -5.442 1.841 6.727 694 HG21 VAL 86 1HG2 VAL 86 -5.927 -1.324 7.246 695 HG22 VAL 86 2HG2 VAL 86 -4.288 -0.656 7.058 696 HG23 VAL 86 3HG2 VAL 86 -4.733 -1.513 8.553 697 H ASP 87 H ASP 87 -6.009 1.364 11.102 698 HA ASP 87 HA ASP 87 -6.971 3.819 11.003 699 HB2 ASP 87 1HB ASP 87 -6.759 1.813 12.948 700 HB3 ASP 87 2HB ASP 87 -6.014 3.191 13.733 701 H LYS 88 H LYS 88 -3.646 2.843 11.771 702 HA LYS 88 HA LYS 88 -2.975 5.534 12.666 703 HB2 LYS 88 1HB LYS 88 -1.253 3.040 12.581 704 HB3 LYS 88 2HB LYS 88 -0.853 4.563 13.349 705 HG2 LYS 88 1HG LYS 88 -2.772 4.316 14.906 706 HG3 LYS 88 2HG LYS 88 -3.255 2.833 14.106 707 HD2 LYS 88 1HD LYS 88 -2.023 2.114 16.022 708 HD3 LYS 88 2HD LYS 88 -0.917 1.906 14.679 709 HE2 LYS 88 1HE LYS 88 0.373 3.814 15.268 710 HE3 LYS 88 2HE LYS 88 -0.921 4.519 16.217 711 HZ1 LYS 88 1HZ LYS 88 1.027 3.282 17.348 712 HZ2 LYS 88 2HZ LYS 88 -0.484 3.148 17.953 713 HZ3 LYS 88 3HZ LYS 88 0.140 1.945 17.042 714 H LEU 89 H LEU 89 -1.780 3.057 10.285 715 HA LEU 89 HA LEU 89 -0.045 4.623 8.914 716 HB2 LEU 89 1HB LEU 89 -1.895 2.438 7.974 717 HB3 LEU 89 2HB LEU 89 -0.696 3.172 6.928 718 HG LEU 89 HG LEU 89 -0.046 1.798 9.549 719 HD11 LEU 89 1HD1 LEU 89 -1.055 0.282 7.815 720 HD12 LEU 89 2HD1 LEU 89 0.330 0.671 6.766 721 HD13 LEU 89 3HD1 LEU 89 0.596 -0.142 8.327 722 HD21 LEU 89 1HD2 LEU 89 1.641 2.983 7.348 723 HD22 LEU 89 2HD2 LEU 89 1.700 3.291 9.100 724 HD23 LEU 89 3HD2 LEU 89 2.270 1.734 8.451 725 H VAL 90 H VAL 90 -3.630 4.509 8.619 726 HA VAL 90 HA VAL 90 -3.690 6.302 6.421 727 HB VAL 90 HB VAL 90 -6.084 6.342 6.847 728 HG11 VAL 90 1HG1 VAL 90 -4.700 3.656 6.984 729 HG12 VAL 90 2HG1 VAL 90 -6.467 3.804 6.828 730 HG13 VAL 90 3HG1 VAL 90 -5.403 4.479 5.571 731 HG21 VAL 90 1HG2 VAL 90 -5.261 5.617 9.537 732 HG22 VAL 90 2HG2 VAL 90 -6.824 6.236 8.952 733 HG23 VAL 90 3HG2 VAL 90 -6.488 4.489 8.911 734 H LYS 91 H LYS 91 -3.626 6.595 9.969 735 HA LYS 91 HA LYS 91 -4.431 9.320 9.988 736 HB2 LYS 91 1HB LYS 91 -3.403 7.333 11.968 737 HB3 LYS 91 2HB LYS 91 -3.249 9.032 12.369 738 HG2 LYS 91 1HG LYS 91 -5.702 9.345 11.903 739 HG3 LYS 91 2HG LYS 91 -5.842 7.633 11.556 740 HD2 LYS 91 1HD LYS 91 -5.851 7.064 13.769 741 HD3 LYS 91 2HD LYS 91 -4.513 8.132 14.142 742 HE2 LYS 91 1HE LYS 91 -6.405 10.025 13.732 743 HE3 LYS 91 2HE LYS 91 -7.470 8.705 14.175 744 HZ1 LYS 91 1HZ LYS 91 -5.819 10.233 15.829 745 HZ2 LYS 91 2HZ LYS 91 -6.928 9.112 16.253 746 HZ3 LYS 91 3HZ LYS 91 -5.385 8.665 15.963 747 H GLY 92 H GLY 92 -1.604 7.695 8.958 748 HA2 GLY 92 1HA GLY 92 0.289 8.584 8.081 749 HA3 GLY 92 2HA GLY 92 -0.235 10.187 8.557 750 H LYS 93 H LYS 93 0.402 7.140 10.441 751 HA LYS 93 HA LYS 93 1.870 8.730 12.367 752 HB2 LYS 93 1HB LYS 93 0.808 5.904 12.317 753 HB3 LYS 93 2HB LYS 93 1.938 6.434 13.547 754 HG2 LYS 93 1HG LYS 93 -0.100 8.462 13.302 755 HG3 LYS 93 2HG LYS 93 -0.906 6.910 13.405 756 HD2 LYS 93 1HD LYS 93 -0.655 7.407 15.673 757 HD3 LYS 93 2HD LYS 93 0.793 6.460 15.394 758 HE2 LYS 93 1HE LYS 93 1.401 9.193 14.701 759 HE3 LYS 93 2HE LYS 93 0.591 9.211 16.255 760 HZ1 LYS 93 1HZ LYS 93 3.141 8.103 15.554 761 HZ2 LYS 93 2HZ LYS 93 2.627 8.720 16.976 762 HZ3 LYS 93 3HZ LYS 93 2.256 7.182 16.572 763 H PHE 94 H PHE 94 3.688 9.329 11.030 764 HA PHE 94 HA PHE 94 5.242 7.907 9.456 765 HB2 PHE 94 1HB PHE 94 6.181 9.998 9.912 766 HB3 PHE 94 2HB PHE 94 5.594 9.986 11.563 767 HD1 PHE 94 1HD PHE 94 7.871 7.536 9.939 768 HD2 PHE 94 2HD PHE 94 7.465 10.654 12.789 769 HE1 PHE 94 1HE PHE 94 10.199 7.085 10.764 770 HE2 PHE 94 2HE PHE 94 9.793 10.203 13.614 771 HZ PHE 94 HZ PHE 94 11.132 8.424 12.591 772 H GLN 95 H GLN 95 5.604 7.818 13.076 773 HA GLN 95 HA GLN 95 7.608 5.961 13.117 774 HB2 GLN 95 1HB GLN 95 6.721 7.349 15.050 775 HB3 GLN 95 2HB GLN 95 5.376 6.233 15.177 776 HG2 GLN 95 1HG GLN 95 6.663 4.903 16.484 777 HG3 GLN 95 2HG GLN 95 7.678 4.578 15.093 778 HE21 GLN 95 1HE2 GLN 95 7.136 6.763 17.806 779 HE22 GLN 95 2HE2 GLN 95 8.765 7.320 17.990 780 H ASP 96 H ASP 96 4.019 5.472 13.199 781 HA ASP 96 HA ASP 96 4.331 2.655 13.271 782 HB2 ASP 96 1HB ASP 96 2.278 4.481 13.809 783 HB3 ASP 96 2HB ASP 96 1.731 3.718 12.329 784 H ASN 97 H ASN 97 5.036 4.845 10.916 785 HA ASN 97 HA ASN 97 3.723 3.415 8.770 786 HB2 ASN 97 1HB ASN 97 4.344 6.131 9.172 787 HB3 ASN 97 2HB ASN 97 5.569 5.615 8.030 788 HD21 ASN 97 1HD2 ASN 97 2.155 5.984 8.652 789 HD22 ASN 97 2HD2 ASN 97 1.588 5.859 7.021 790 H PHE 98 H PHE 98 6.944 4.373 10.104 791 HA PHE 98 HA PHE 98 8.345 2.933 8.040 792 HB2 PHE 98 1HB PHE 98 9.021 5.134 9.269 793 HB3 PHE 98 2HB PHE 98 9.304 4.155 10.694 794 HD1 PHE 98 1HD PHE 98 10.836 1.966 10.093 795 HD2 PHE 98 2HD PHE 98 10.900 5.701 8.079 796 HE1 PHE 98 1HE PHE 98 13.176 1.504 9.311 797 HE2 PHE 98 2HE PHE 98 13.240 5.239 7.297 798 HZ PHE 98 HZ PHE 98 14.350 3.146 7.923 799 H GLU 99 H GLU 99 7.421 2.537 11.484 800 HA GLU 99 HA GLU 99 9.075 0.288 11.859 801 HB2 GLU 99 1HB GLU 99 6.633 1.220 13.432 802 HB3 GLU 99 2HB GLU 99 7.784 0.017 13.978 803 HG2 GLU 99 1HG GLU 99 8.701 2.801 13.163 804 HG3 GLU 99 2HG GLU 99 8.099 2.488 14.779 805 H PHE 100 H PHE 100 6.396 0.724 9.906 806 HA PHE 100 HA PHE 100 5.425 -2.001 10.368 807 HB2 PHE 100 1HB PHE 100 3.639 -0.364 10.445 808 HB3 PHE 100 2HB PHE 100 4.349 0.589 9.157 809 HD1 PHE 100 2HD PHE 100 4.106 -0.118 6.811 810 HD2 PHE 100 1HD PHE 100 2.215 -2.242 9.960 811 HE1 PHE 100 2HE PHE 100 2.602 -1.245 5.147 812 HE2 PHE 100 1HE PHE 100 0.711 -3.369 8.297 813 HZ PHE 100 HZ PHE 100 0.923 -2.858 5.910 814 H VAL 101 H VAL 101 6.650 0.314 7.895 815 HA VAL 101 HA VAL 101 6.405 -1.523 5.752 816 HB VAL 101 HB VAL 101 6.411 0.899 5.473 817 HG11 VAL 101 1HG1 VAL 101 9.368 1.072 5.894 818 HG12 VAL 101 2HG1 VAL 101 8.111 2.320 6.064 819 HG13 VAL 101 3HG1 VAL 101 8.312 1.081 7.326 820 HG21 VAL 101 1HG2 VAL 101 8.703 -0.557 4.117 821 HG22 VAL 101 2HG2 VAL 101 7.024 -0.405 3.546 822 HG23 VAL 101 3HG2 VAL 101 8.077 1.028 3.602 823 H GLN 102 H GLN 102 9.048 -0.558 8.011 824 HA GLN 102 HA GLN 102 11.082 -1.906 6.789 825 HB2 GLN 102 1HB GLN 102 12.250 -1.740 8.888 826 HB3 GLN 102 2HB GLN 102 11.232 -0.320 8.760 827 HG2 GLN 102 1HG GLN 102 10.106 -0.876 10.650 828 HG3 GLN 102 2HG GLN 102 9.712 -2.459 10.008 829 HE21 GLN 102 1HE2 GLN 102 10.735 -1.291 12.652 830 HE22 GLN 102 2HE2 GLN 102 12.033 -2.337 13.125 831 H TRP 103 H TRP 103 8.275 -3.145 8.474 832 HA TRP 103 HA TRP 103 9.492 -5.723 8.972 833 HB2 TRP 103 1HB TRP 103 8.011 -4.948 10.650 834 HB3 TRP 103 2HB TRP 103 6.764 -4.549 9.485 835 HD1 TRP 103 HD TRP 103 8.114 -7.503 11.484 836 HE1 TRP 103 1HE TRP 103 6.587 -9.640 11.232 837 HE3 TRP 103 3HE TRP 103 5.232 -5.646 7.729 838 HZ2 TRP 103 2HZ TRP 103 4.394 -10.299 9.529 839 HZ3 TRP 103 3HZ TRP 103 3.420 -7.101 6.828 840 HH2 TRP 103 HH TRP 103 2.979 -9.354 7.667 841 H PHE 104 H PHE 104 6.792 -4.294 6.995 842 HA PHE 104 HA PHE 104 6.011 -6.483 5.624 843 HB2 PHE 104 1HB PHE 104 6.062 -3.558 5.360 844 HB3 PHE 104 2HB PHE 104 6.270 -4.273 3.774 845 HD1 PHE 104 1HD PHE 104 4.051 -4.369 6.757 846 HD2 PHE 104 2HD PHE 104 4.416 -5.042 2.583 847 HE1 PHE 104 1HE PHE 104 1.574 -4.742 6.601 848 HE2 PHE 104 2HE PHE 104 1.939 -5.416 2.427 849 HZ PHE 104 HZ PHE 104 0.547 -5.261 4.438 850 H LYS 105 H LYS 105 8.952 -4.494 5.067 851 HA LYS 105 HA LYS 105 9.613 -5.703 2.607 852 HB2 LYS 105 1HB LYS 105 10.404 -3.469 3.538 853 HB3 LYS 105 2HB LYS 105 11.510 -4.372 4.554 854 HG2 LYS 105 1HG LYS 105 12.695 -5.270 2.669 855 HG3 LYS 105 2HG LYS 105 11.414 -4.844 1.551 856 HD2 LYS 105 1HD LYS 105 12.474 -2.886 1.133 857 HD3 LYS 105 2HD LYS 105 12.166 -2.396 2.787 858 HE2 LYS 105 1HE LYS 105 14.607 -3.925 1.772 859 HE3 LYS 105 2HE LYS 105 14.578 -2.267 2.337 860 HZ1 LYS 105 1HZ LYS 105 13.500 -4.093 4.229 861 HZ2 LYS 105 2HZ LYS 105 15.057 -4.423 3.862 862 HZ3 LYS 105 3HZ LYS 105 14.647 -2.947 4.428 863 H LYS 106 H LYS 106 10.496 -6.356 6.045 864 HA LYS 106 HA LYS 106 12.398 -8.292 5.593 865 HB2 LYS 106 1HB LYS 106 10.855 -7.279 7.795 866 HB3 LYS 106 2HB LYS 106 10.883 -9.029 7.887 867 HG2 LYS 106 1HG LYS 106 13.050 -9.015 8.556 868 HG3 LYS 106 2HG LYS 106 13.527 -8.104 7.137 869 HD2 LYS 106 1HD LYS 106 12.102 -6.453 9.141 870 HD3 LYS 106 2HD LYS 106 13.577 -7.164 9.767 871 HE2 LYS 106 1HE LYS 106 14.403 -6.290 7.263 872 HE3 LYS 106 2HE LYS 106 13.226 -5.064 7.691 873 HZ1 LYS 106 1HZ LYS 106 15.650 -5.813 9.136 874 HZ2 LYS 106 2HZ LYS 106 15.185 -4.335 8.619 875 HZ3 LYS 106 3HZ LYS 106 14.441 -5.023 9.899 876 H PHE 107 H PHE 107 8.818 -8.719 6.046 877 HA PHE 107 HA PHE 107 8.821 -11.460 5.643 878 HB2 PHE 107 1HB PHE 107 7.028 -9.459 6.273 879 HB3 PHE 107 2HB PHE 107 6.577 -9.715 4.599 880 HD1 PHE 107 1HD PHE 107 5.744 -11.952 3.878 881 HD2 PHE 107 2HD PHE 107 6.436 -11.031 7.962 882 HE1 PHE 107 1HE PHE 107 4.327 -13.909 4.559 883 HE2 PHE 107 2HE PHE 107 5.020 -12.987 8.643 884 HZ PHE 107 HZ PHE 107 3.982 -14.403 6.934 885 H PHE 108 H PHE 108 9.341 -8.844 3.394 886 HA PHE 108 HA PHE 108 8.546 -10.478 1.128 887 HB2 PHE 108 1HB PHE 108 9.261 -7.617 1.782 888 HB3 PHE 108 2HB PHE 108 9.685 -8.139 0.164 889 HD1 PHE 108 1HD PHE 108 6.736 -8.587 2.427 890 HD2 PHE 108 2HD PHE 108 8.153 -7.521 -1.429 891 HE1 PHE 108 1HE PHE 108 4.378 -8.170 1.675 892 HE2 PHE 108 2HE PHE 108 5.795 -7.104 -2.180 893 HZ PHE 108 HZ PHE 108 3.936 -7.433 -0.620 894 H ASP 109 H ASP 109 10.834 -11.295 2.871 895 HA ASP 109 HA ASP 109 12.827 -11.259 0.757 896 HB2 ASP 109 1HB ASP 109 13.157 -9.810 3.063 897 HB3 ASP 109 2HB ASP 109 13.808 -11.351 3.586 898 H SER 110 H SER 110 11.825 -12.624 3.984 899 HA SER 110 HA SER 110 13.071 -15.121 3.315 900 HB2 SER 110 1HB SER 110 13.193 -14.159 5.625 901 HB3 SER 110 2HB SER 110 11.453 -14.305 5.771 902 HG SER 110 HG SER 110 13.167 -16.133 6.482 903 H GLY 111 H GLY 111 11.868 -16.121 1.665 904 HA2 GLY 111 1HA GLY 111 9.745 -17.699 2.174 905 HA3 GLY 111 2HA GLY 111 8.978 -16.171 1.788 906 HA PRO 112 HA PRO 112 11.286 -17.808 -2.047 907 HB2 PRO 112 1HB PRO 112 11.847 -20.481 -2.121 908 HB3 PRO 112 2HB PRO 112 13.029 -19.266 -1.674 909 HG2 PRO 112 1HG PRO 112 11.569 -21.160 0.064 910 HG3 PRO 112 2HG PRO 112 13.029 -20.254 0.410 911 HD2 PRO 112 1HD PRO 112 10.382 -19.669 1.349 912 HD3 PRO 112 2HD PRO 112 11.821 -18.700 1.598 913 H SER 113 H SER 113 10.437 -18.585 -4.048 914 HA SER 113 HA SER 113 8.192 -20.312 -3.824 915 HB2 SER 113 1HB SER 113 7.844 -17.347 -4.195 916 HB3 SER 113 2HB SER 113 6.808 -18.404 -5.133 917 HG SER 113 HG SER 113 5.779 -17.925 -3.144 918 H SER 114 H SER 114 8.139 -21.530 -5.693 919 HA SER 114 HA SER 114 9.273 -20.279 -8.066 920 HB2 SER 114 1HB SER 114 10.508 -22.325 -6.619 921 HB3 SER 114 2HB SER 114 9.684 -23.200 -7.895 922 HG SER 114 HG SER 114 11.319 -22.621 -9.140 923 H GLY 115 H GLY 115 7.524 -23.248 -6.875 924 HA2 GLY 115 1HA GLY 115 5.105 -23.159 -7.701 925 HA3 GLY 115 2HA GLY 115 5.839 -23.128 -9.292 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 26.679 15.061 -12.210 2 HA2 GLY 1 1HA GLY 1 25.852 14.438 -9.906 3 HA3 GLY 1 2HA GLY 1 24.262 14.838 -10.526 4 H SER 2 H SER 2 25.587 12.212 -9.598 5 HA SER 2 HA SER 2 24.307 10.599 -11.481 6 HB2 SER 2 1HB SER 2 26.825 11.290 -12.366 7 HB3 SER 2 2HB SER 2 27.180 9.818 -11.485 8 HG SER 2 HG SER 2 24.909 9.676 -13.154 9 H SER 3 H SER 3 27.195 10.539 -9.258 10 HA SER 3 HA SER 3 26.802 8.057 -8.244 11 HB2 SER 3 1HB SER 3 28.580 10.077 -7.797 12 HB3 SER 3 2HB SER 3 27.668 10.165 -6.302 13 HG SER 3 HG SER 3 29.281 8.683 -5.887 14 H GLY 4 H GLY 4 26.161 7.597 -5.805 15 HA2 GLY 4 1HA GLY 4 23.850 9.210 -4.982 16 HA3 GLY 4 2HA GLY 4 23.610 7.508 -5.319 17 H SER 5 H SER 5 22.947 7.448 -2.974 18 HA SER 5 HA SER 5 25.247 6.704 -1.435 19 HB2 SER 5 1HB SER 5 23.360 8.928 -0.556 20 HB3 SER 5 2HB SER 5 24.408 8.075 0.559 21 HG SER 5 HG SER 5 26.203 8.996 -0.325 22 H SER 6 H SER 6 24.671 5.275 0.358 23 HA SER 6 HA SER 6 21.852 4.554 0.382 24 HB2 SER 6 1HB SER 6 22.558 2.138 0.565 25 HB3 SER 6 2HB SER 6 22.903 2.866 -0.992 26 HG SER 6 HG SER 6 25.078 2.917 -0.553 27 H GLY 7 H GLY 7 21.122 3.596 2.435 28 HA2 GLY 7 1HA GLY 7 21.627 2.851 4.640 29 HA3 GLY 7 2HA GLY 7 23.049 3.875 4.652 30 H GLN 8 H GLN 8 21.893 4.501 6.798 31 HA GLN 8 HA GLN 8 20.901 6.026 7.980 32 HB2 GLN 8 1HB GLN 8 21.051 7.491 5.339 33 HB3 GLN 8 2HB GLN 8 20.190 8.224 6.678 34 HG2 GLN 8 1HG GLN 8 22.959 7.110 7.170 35 HG3 GLN 8 2HG GLN 8 22.806 8.644 6.335 36 HE21 GLN 8 1HE2 GLN 8 22.886 10.351 7.562 37 HE22 GLN 8 2HE2 GLN 8 22.381 10.491 9.213 38 H ARG 9 H ARG 9 18.932 5.565 8.852 39 HA ARG 9 HA ARG 9 16.910 4.380 7.591 40 HB2 ARG 9 1HB ARG 9 16.717 6.401 9.881 41 HB3 ARG 9 2HB ARG 9 15.429 5.295 9.445 42 HG2 ARG 9 1HG ARG 9 18.071 3.980 9.816 43 HG3 ARG 9 2HG ARG 9 17.450 4.745 11.265 44 HD2 ARG 9 1HD ARG 9 16.193 2.867 11.559 45 HD3 ARG 9 2HD ARG 9 15.185 3.457 10.253 46 HE ARG 9 HE ARG 9 16.108 1.837 8.828 47 HH11 ARG 9 2HH2 ARG 9 18.112 2.140 11.704 48 HH12 ARG 9 1HH2 ARG 9 19.097 0.768 11.318 49 HH21 ARG 9 2HH1 ARG 9 17.406 0.028 8.318 50 HH22 ARG 9 1HH1 ARG 9 18.693 -0.441 9.378 51 H ARG 10 H ARG 10 14.688 5.163 6.934 52 HA ARG 10 HA ARG 10 13.304 6.473 5.901 53 HB2 ARG 10 1HB ARG 10 14.857 8.388 7.432 54 HB3 ARG 10 2HB ARG 10 14.518 9.089 5.862 55 HG2 ARG 10 1HG ARG 10 12.172 8.982 6.164 56 HG3 ARG 10 2HG ARG 10 12.280 7.714 7.369 57 HD2 ARG 10 1HD ARG 10 11.702 9.904 8.408 58 HD3 ARG 10 2HD ARG 10 13.229 9.296 9.015 59 HE ARG 10 HE ARG 10 14.309 11.125 8.039 60 HH11 ARG 10 2HH2 ARG 10 11.159 10.721 6.524 61 HH12 ARG 10 1HH2 ARG 10 11.276 12.179 5.596 62 HH21 ARG 10 2HH1 ARG 10 14.464 13.048 6.815 63 HH22 ARG 10 1HH1 ARG 10 13.169 13.512 5.763 64 H HIS 11 H HIS 11 13.018 6.866 3.674 65 HA HIS 11 HA HIS 11 13.516 7.251 1.562 66 HB2 HIS 11 1HB HIS 11 14.997 9.120 2.659 67 HB3 HIS 11 2HB HIS 11 16.333 8.090 2.187 68 HD1 HIS 11 1HD HIS 11 17.182 8.382 -0.156 69 HD2 HIS 11 2HD HIS 11 13.277 9.841 0.317 70 HE1 HIS 11 1HE HIS 11 16.566 9.506 -2.362 71 H ASP 12 H ASP 12 14.784 4.975 3.570 72 HA ASP 12 HA ASP 12 16.571 3.802 1.654 73 HB2 ASP 12 1HB ASP 12 16.909 3.759 4.193 74 HB3 ASP 12 2HB ASP 12 15.549 2.659 4.293 75 H MET 13 H MET 13 13.324 3.337 3.151 76 HA MET 13 HA MET 13 12.900 0.871 1.790 77 HB2 MET 13 1HB MET 13 10.691 2.559 3.018 78 HB3 MET 13 2HB MET 13 10.862 0.815 3.033 79 HG2 MET 13 1HG MET 13 13.168 1.728 4.381 80 HG3 MET 13 2HG MET 13 11.902 2.803 4.941 81 HE1 MET 13 1HE MET 13 12.235 -1.653 5.025 82 HE2 MET 13 2HE MET 13 10.716 -1.262 4.182 83 HE3 MET 13 3HE MET 13 12.255 -0.580 3.604 84 H LEU 14 H LEU 14 12.138 4.322 1.311 85 HA LEU 14 HA LEU 14 10.081 4.152 -0.488 86 HB2 LEU 14 1HB LEU 14 12.371 6.107 -0.659 87 HB3 LEU 14 2HB LEU 14 10.724 6.333 -1.214 88 HG LEU 14 HG LEU 14 11.770 6.302 1.612 89 HD11 LEU 14 1HD1 LEU 14 10.489 8.288 -0.215 90 HD12 LEU 14 2HD1 LEU 14 10.183 8.417 1.533 91 HD13 LEU 14 3HD1 LEU 14 11.851 8.476 0.915 92 HD21 LEU 14 1HD2 LEU 14 9.877 4.861 1.758 93 HD22 LEU 14 2HD2 LEU 14 9.378 6.461 2.358 94 HD23 LEU 14 3HD2 LEU 14 8.900 5.934 0.727 95 H ALA 15 H ALA 15 13.634 3.839 -1.062 96 HA ALA 15 HA ALA 15 13.516 3.666 -3.825 97 HB1 ALA 15 1HB ALA 15 15.587 3.987 -2.570 98 HB2 ALA 15 2HB ALA 15 15.415 2.382 -1.820 99 HB3 ALA 15 3HB ALA 15 15.718 2.520 -3.569 100 H TRP 16 H TRP 16 13.298 1.092 -1.285 101 HA TRP 16 HA TRP 16 13.243 -1.124 -2.840 102 HB2 TRP 16 1HB TRP 16 13.176 -1.100 -0.391 103 HB3 TRP 16 2HB TRP 16 11.515 -0.542 -0.427 104 HD1 TRP 16 HD TRP 16 13.403 -3.624 -1.956 105 HE1 TRP 16 1HE TRP 16 11.942 -5.807 -1.707 106 HE3 TRP 16 3HE TRP 16 9.437 -1.348 0.268 107 HZ2 TRP 16 2HZ TRP 16 9.349 -6.325 -0.633 108 HZ3 TRP 16 3HZ TRP 16 7.481 -2.765 0.885 109 HH2 TRP 16 HH TRP 16 7.396 -5.172 0.468 110 H ILE 17 H ILE 17 10.309 0.781 -1.811 111 HA ILE 17 HA ILE 17 8.589 -0.539 -3.576 112 HB ILE 17 HB ILE 17 8.454 2.077 -2.095 113 HG12 ILE 17 1HG1 ILE 17 6.454 0.287 -1.269 114 HG13 ILE 17 2HG1 ILE 17 7.884 -0.704 -1.479 115 HG21 ILE 17 1HG2 ILE 17 6.151 2.322 -2.721 116 HG22 ILE 17 2HG2 ILE 17 7.131 2.218 -4.204 117 HG23 ILE 17 3HG2 ILE 17 6.191 0.809 -3.657 118 HD11 ILE 17 1HD1 ILE 17 7.960 1.939 0.033 119 HD12 ILE 17 2HD1 ILE 17 7.597 0.388 0.828 120 HD13 ILE 17 3HD1 ILE 17 9.175 0.638 0.043 121 H ASN 18 H ASN 18 9.989 2.813 -3.794 122 HA ASN 18 HA ASN 18 9.115 3.588 -6.133 123 HB2 ASN 18 1HB ASN 18 11.911 3.761 -4.950 124 HB3 ASN 18 2HB ASN 18 11.597 4.481 -6.517 125 HD21 ASN 18 1HD2 ASN 18 12.373 6.219 -4.806 126 HD22 ASN 18 2HD2 ASN 18 11.105 7.192 -4.137 127 H GLU 19 H GLU 19 11.827 1.246 -5.580 128 HA GLU 19 HA GLU 19 11.953 0.783 -8.436 129 HB2 GLU 19 1HB GLU 19 13.821 0.533 -6.166 130 HB3 GLU 19 2HB GLU 19 13.860 -0.864 -7.224 131 HG2 GLU 19 1HG GLU 19 13.761 1.411 -8.945 132 HG3 GLU 19 2HG GLU 19 14.915 1.814 -7.689 133 H SER 20 H SER 20 9.591 -0.126 -7.922 134 HA SER 20 HA SER 20 9.898 -2.948 -8.022 135 HB2 SER 20 1HB SER 20 8.497 -1.626 -5.670 136 HB3 SER 20 2HB SER 20 8.081 -3.250 -6.181 137 HG SER 20 HG SER 20 10.568 -2.278 -5.116 138 H LEU 21 H LEU 21 7.710 -0.091 -7.692 139 HA LEU 21 HA LEU 21 6.057 -1.280 -9.805 140 HB2 LEU 21 1HB LEU 21 4.857 0.448 -7.679 141 HB3 LEU 21 2HB LEU 21 4.082 -0.698 -8.755 142 HG LEU 21 HG LEU 21 6.024 -1.733 -6.720 143 HD11 LEU 21 1HD1 LEU 21 3.476 -0.365 -6.110 144 HD12 LEU 21 2HD1 LEU 21 3.697 -1.960 -5.351 145 HD13 LEU 21 3HD1 LEU 21 4.898 -0.673 -5.085 146 HD21 LEU 21 1HD2 LEU 21 5.316 -3.511 -7.949 147 HD22 LEU 21 2HD2 LEU 21 4.019 -3.487 -6.731 148 HD23 LEU 21 3HD2 LEU 21 3.745 -2.769 -8.337 149 H GLN 22 H GLN 22 8.305 1.002 -9.078 150 HA GLN 22 HA GLN 22 8.962 2.791 -10.134 151 HB2 GLN 22 1HB GLN 22 7.243 1.632 -12.035 152 HB3 GLN 22 2HB GLN 22 6.707 3.298 -11.949 153 HG2 GLN 22 1HG GLN 22 9.671 2.932 -12.016 154 HG3 GLN 22 2HG GLN 22 8.832 2.433 -13.471 155 HE21 GLN 22 1HE2 GLN 22 7.981 3.896 -14.828 156 HE22 GLN 22 2HE2 GLN 22 8.077 5.615 -14.637 157 H LEU 23 H LEU 23 8.386 3.656 -7.913 158 HA LEU 23 HA LEU 23 6.121 5.517 -8.097 159 HB2 LEU 23 1HB LEU 23 7.440 4.441 -5.605 160 HB3 LEU 23 2HB LEU 23 6.007 5.446 -5.694 161 HG LEU 23 HG LEU 23 5.311 3.218 -5.223 162 HD11 LEU 23 1HD1 LEU 23 3.787 2.752 -7.033 163 HD12 LEU 23 2HD1 LEU 23 3.932 4.513 -6.825 164 HD13 LEU 23 3HD1 LEU 23 4.777 3.703 -8.166 165 HD21 LEU 23 1HD2 LEU 23 7.555 2.397 -6.570 166 HD22 LEU 23 2HD2 LEU 23 6.248 1.338 -5.988 167 HD23 LEU 23 3HD2 LEU 23 6.248 1.905 -7.675 168 H ASN 24 H ASN 24 7.033 7.078 -5.798 169 HA ASN 24 HA ASN 24 9.641 7.961 -6.265 170 HB2 ASN 24 1HB ASN 24 8.494 8.903 -8.332 171 HB3 ASN 24 2HB ASN 24 7.420 9.810 -7.285 172 HD21 ASN 24 1HD2 ASN 24 10.874 9.174 -7.845 173 HD22 ASN 24 2HD2 ASN 24 11.449 10.779 -7.537 174 H LEU 25 H LEU 25 8.709 7.272 -3.895 175 HA LEU 25 HA LEU 25 7.260 9.411 -2.614 176 HB2 LEU 25 1HB LEU 25 8.432 6.849 -1.522 177 HB3 LEU 25 2HB LEU 25 7.415 7.965 -0.632 178 HG LEU 25 HG LEU 25 6.625 6.281 -3.021 179 HD11 LEU 25 1HD1 LEU 25 6.720 5.000 -0.989 180 HD12 LEU 25 2HD1 LEU 25 5.788 6.235 -0.110 181 HD13 LEU 25 3HD1 LEU 25 5.014 5.291 -1.405 182 HD21 LEU 25 1HD2 LEU 25 5.255 8.006 -3.504 183 HD22 LEU 25 2HD2 LEU 25 4.282 7.326 -2.178 184 HD23 LEU 25 3HD2 LEU 25 5.368 8.702 -1.869 185 H THR 26 H THR 26 8.082 10.729 -0.897 186 HA THR 26 HA THR 26 11.024 10.907 -0.918 187 HB THR 26 HB THR 26 10.597 13.373 -0.521 188 HG1 THR 26 1HG THR 26 8.500 13.610 0.179 189 HG21 THR 26 1HG2 THR 26 9.794 11.896 -2.977 190 HG22 THR 26 2HG2 THR 26 9.026 13.494 -2.816 191 HG23 THR 26 3HG2 THR 26 10.801 13.355 -2.817 192 H LYS 27 H LYS 27 8.148 10.350 0.937 193 HA LYS 27 HA LYS 27 9.813 10.423 3.345 194 HB2 LYS 27 1HB LYS 27 6.988 11.500 3.102 195 HB3 LYS 27 2HB LYS 27 7.848 11.274 4.612 196 HG2 LYS 27 1HG LYS 27 9.713 12.704 3.151 197 HG3 LYS 27 2HG LYS 27 8.217 13.359 2.516 198 HD2 LYS 27 1HD LYS 27 8.206 13.073 5.468 199 HD3 LYS 27 2HD LYS 27 9.455 14.155 4.885 200 HE2 LYS 27 1HE LYS 27 7.917 15.673 3.964 201 HE3 LYS 27 2HE LYS 27 6.687 14.449 3.718 202 HZ1 LYS 27 1HZ LYS 27 5.843 14.967 5.666 203 HZ2 LYS 27 2HZ LYS 27 7.244 14.647 6.443 204 HZ3 LYS 27 3HZ LYS 27 6.953 16.148 5.866 205 H ILE 28 H ILE 28 8.722 9.074 5.153 206 HA ILE 28 HA ILE 28 8.059 6.547 3.952 207 HB ILE 28 HB ILE 28 8.763 7.536 6.681 208 HG12 ILE 28 1HG1 ILE 28 10.465 6.849 4.944 209 HG13 ILE 28 2HG1 ILE 28 10.587 6.050 6.499 210 HG21 ILE 28 1HG2 ILE 28 6.929 6.171 7.267 211 HG22 ILE 28 2HG2 ILE 28 7.354 4.938 6.056 212 HG23 ILE 28 3HG2 ILE 28 8.377 5.162 7.495 213 HD11 ILE 28 1HD1 ILE 28 10.403 4.792 3.995 214 HD12 ILE 28 2HD1 ILE 28 10.212 4.008 5.581 215 HD13 ILE 28 3HD1 ILE 28 8.780 4.594 4.700 216 H GLU 29 H GLU 29 6.450 9.201 5.712 217 HA GLU 29 HA GLU 29 4.135 7.786 6.319 218 HB2 GLU 29 1HB GLU 29 5.143 10.435 6.648 219 HB3 GLU 29 2HB GLU 29 3.595 10.602 5.844 220 HG2 GLU 29 1HG GLU 29 2.527 9.170 7.593 221 HG3 GLU 29 2HG GLU 29 4.075 8.984 8.392 222 H GLN 30 H GLN 30 5.443 8.720 3.308 223 HA GLN 30 HA GLN 30 3.161 9.497 1.946 224 HB2 GLN 30 1HB GLN 30 5.854 8.394 1.194 225 HB3 GLN 30 2HB GLN 30 4.612 8.387 -0.041 226 HG2 GLN 30 1HG GLN 30 4.836 10.933 1.505 227 HG3 GLN 30 2HG GLN 30 6.229 10.544 0.514 228 HE21 GLN 30 1HE2 GLN 30 6.181 11.410 -1.401 229 HE22 GLN 30 2HE2 GLN 30 4.795 11.697 -2.398 230 H LEU 31 H LEU 31 3.980 6.487 3.374 231 HA LEU 31 HA LEU 31 2.393 4.959 1.470 232 HB2 LEU 31 1HB LEU 31 3.651 3.804 3.922 233 HB3 LEU 31 2HB LEU 31 3.331 3.057 2.369 234 HG LEU 31 HG LEU 31 5.234 5.250 2.120 235 HD11 LEU 31 1HD1 LEU 31 5.518 4.063 4.546 236 HD12 LEU 31 2HD1 LEU 31 6.545 3.016 3.537 237 HD13 LEU 31 3HD1 LEU 31 6.852 4.768 3.603 238 HD21 LEU 31 1HD2 LEU 31 4.614 3.106 0.657 239 HD22 LEU 31 2HD2 LEU 31 6.218 3.877 0.601 240 HD23 LEU 31 3HD2 LEU 31 5.967 2.414 1.584 241 H CYS 32 H CYS 32 1.217 7.127 3.146 242 HA CYS 32 HA CYS 32 -0.320 5.618 5.082 243 HB2 CYS 32 1HB CYS 32 -1.225 7.814 5.749 244 HB3 CYS 32 2HB CYS 32 0.526 7.771 5.814 245 HG CYS 32 HG CYS 32 -0.472 8.450 2.876 246 H SER 33 H SER 33 -0.661 4.781 2.382 247 HA SER 33 HA SER 33 -3.350 5.796 1.891 248 HB2 SER 33 1HB SER 33 -2.829 5.172 -0.584 249 HB3 SER 33 2HB SER 33 -2.168 6.665 0.052 250 HG SER 33 HG SER 33 -0.182 5.329 0.569 251 H GLY 34 H GLY 34 -1.108 3.110 0.857 252 HA2 GLY 34 1HA GLY 34 -1.443 0.872 1.565 253 HA3 GLY 34 2HA GLY 34 -3.161 1.179 1.722 254 H ALA 35 H ALA 35 -0.802 1.908 -0.947 255 HA ALA 35 HA ALA 35 -2.494 0.255 -2.693 256 HB1 ALA 35 1HB ALA 35 -2.407 2.959 -2.817 257 HB2 ALA 35 2HB ALA 35 -1.008 2.569 -3.847 258 HB3 ALA 35 3HB ALA 35 -2.618 1.926 -4.251 259 H ALA 36 H ALA 36 0.756 1.855 -2.369 260 HA ALA 36 HA ALA 36 2.182 0.503 -4.183 261 HB1 ALA 36 1HB ALA 36 4.070 0.637 -2.414 262 HB2 ALA 36 2HB ALA 36 3.268 2.154 -2.887 263 HB3 ALA 36 3HB ALA 36 2.838 1.360 -1.353 264 H TYR 37 H TYR 37 1.725 -0.667 -0.765 265 HA TYR 37 HA TYR 37 2.925 -3.080 -0.968 266 HB2 TYR 37 1HB TYR 37 0.168 -2.525 0.283 267 HB3 TYR 37 2HB TYR 37 1.356 -3.668 0.877 268 HD1 TYR 37 1HD TYR 37 3.733 -2.552 1.469 269 HD2 TYR 37 2HD TYR 37 -0.010 -0.481 1.368 270 HE1 TYR 37 1HE TYR 37 4.673 -0.762 3.011 271 HE2 TYR 37 2HE TYR 37 0.943 1.302 2.909 272 HH TYR 37 HH TYR 37 4.347 1.236 3.853 273 H CYS 38 H CYS 38 -0.542 -2.365 -1.791 274 HA CYS 38 HA CYS 38 -1.326 -4.875 -2.452 275 HB2 CYS 38 1HB CYS 38 -2.170 -2.140 -3.207 276 HB3 CYS 38 2HB CYS 38 -2.656 -3.393 -4.330 277 HG CYS 38 HG CYS 38 -3.618 -2.648 -1.383 278 H GLN 39 H GLN 39 -0.269 -2.371 -4.884 279 HA GLN 39 HA GLN 39 -0.041 -3.931 -7.023 280 HB2 GLN 39 1HB GLN 39 0.825 -1.363 -6.281 281 HB3 GLN 39 2HB GLN 39 2.292 -2.152 -6.825 282 HG2 GLN 39 1HG GLN 39 0.684 -2.964 -8.832 283 HG3 GLN 39 2HG GLN 39 -0.220 -1.535 -8.373 284 HE21 GLN 39 1HE2 GLN 39 2.089 -2.665 -10.368 285 HE22 GLN 39 2HE2 GLN 39 2.997 -1.230 -10.707 286 H PHE 40 H PHE 40 2.433 -3.553 -4.414 287 HA PHE 40 HA PHE 40 4.420 -5.081 -5.584 288 HB2 PHE 40 1HB PHE 40 3.866 -3.703 -3.183 289 HB3 PHE 40 2HB PHE 40 3.991 -5.363 -2.636 290 HD1 PHE 40 2HD PHE 40 6.084 -6.129 -4.825 291 HD2 PHE 40 1HD PHE 40 5.828 -2.967 -2.007 292 HE1 PHE 40 2HE PHE 40 8.587 -5.937 -4.813 293 HE2 PHE 40 1HE PHE 40 8.330 -2.775 -1.994 294 HZ PHE 40 HZ PHE 40 9.680 -4.262 -3.398 295 H MET 41 H MET 41 1.589 -6.035 -3.561 296 HA MET 41 HA MET 41 2.376 -8.676 -3.231 297 HB2 MET 41 1HB MET 41 -0.123 -7.032 -2.967 298 HB3 MET 41 2HB MET 41 -0.395 -8.753 -3.156 299 HG2 MET 41 1HG MET 41 1.470 -7.529 -1.064 300 HG3 MET 41 2HG MET 41 -0.179 -8.028 -0.743 301 HE1 MET 41 1HE MET 41 -0.970 -9.837 -0.253 302 HE2 MET 41 2HE MET 41 -0.530 -11.463 -0.827 303 HE3 MET 41 3HE MET 41 0.093 -10.870 0.731 304 H ASP 42 H ASP 42 -0.202 -7.339 -5.435 305 HA ASP 42 HA ASP 42 -0.842 -9.531 -6.769 306 HB2 ASP 42 1HB ASP 42 -1.216 -6.817 -7.135 307 HB3 ASP 42 2HB ASP 42 -0.278 -7.213 -8.562 308 H MET 43 H MET 43 2.200 -7.693 -6.944 309 HA MET 43 HA MET 43 3.075 -8.875 -9.360 310 HB2 MET 43 1HB MET 43 3.851 -6.747 -7.646 311 HB3 MET 43 2HB MET 43 5.185 -7.879 -7.541 312 HG2 MET 43 1HG MET 43 5.275 -7.936 -10.076 313 HG3 MET 43 2HG MET 43 4.024 -6.710 -10.117 314 HE1 MET 43 1HE MET 43 8.280 -6.587 -8.761 315 HE2 MET 43 2HE MET 43 7.277 -6.357 -7.309 316 HE3 MET 43 3HE MET 43 7.036 -7.788 -8.339 317 H LEU 44 H LEU 44 3.633 -9.454 -5.842 318 HA LEU 44 HA LEU 44 5.504 -11.558 -6.363 319 HB2 LEU 44 1HB LEU 44 4.127 -10.598 -3.854 320 HB3 LEU 44 2HB LEU 44 5.304 -11.895 -3.890 321 HG LEU 44 HG LEU 44 5.856 -9.048 -4.771 322 HD11 LEU 44 1HD1 LEU 44 7.249 -9.974 -2.384 323 HD12 LEU 44 2HD1 LEU 44 6.342 -8.470 -2.676 324 HD13 LEU 44 3HD1 LEU 44 5.481 -9.944 -2.173 325 HD21 LEU 44 1HD2 LEU 44 8.183 -10.591 -4.065 326 HD22 LEU 44 2HD2 LEU 44 7.246 -11.433 -5.323 327 HD23 LEU 44 3HD2 LEU 44 7.790 -9.759 -5.588 328 H PHE 45 H PHE 45 2.068 -11.309 -5.241 329 HA PHE 45 HA PHE 45 1.788 -14.118 -6.049 330 HB2 PHE 45 1HB PHE 45 0.404 -12.508 -3.819 331 HB3 PHE 45 2HB PHE 45 0.062 -14.188 -4.182 332 HD1 PHE 45 1HD PHE 45 1.836 -15.913 -3.777 333 HD2 PHE 45 2HD PHE 45 2.250 -11.901 -2.458 334 HE1 PHE 45 1HE PHE 45 3.635 -16.625 -2.178 335 HE2 PHE 45 2HE PHE 45 4.049 -12.613 -0.859 336 HZ PHE 45 HZ PHE 45 4.719 -14.966 -0.737 337 HA PRO 46 HA PRO 46 -1.155 -12.107 -8.645 338 HB2 PRO 46 1HB PRO 46 -1.431 -14.144 -10.445 339 HB3 PRO 46 2HB PRO 46 -0.200 -12.904 -10.582 340 HG2 PRO 46 1HG PRO 46 0.092 -15.719 -9.727 341 HG3 PRO 46 2HG PRO 46 1.329 -14.604 -10.274 342 HD2 PRO 46 1HD PRO 46 0.805 -15.394 -7.566 343 HD3 PRO 46 2HD PRO 46 1.963 -14.192 -8.102 344 H GLY 47 H GLY 47 -3.231 -11.794 -8.172 345 HA2 GLY 47 1HA GLY 47 -5.400 -12.448 -7.882 346 HA3 GLY 47 2HA GLY 47 -4.920 -14.132 -7.940 347 H SER 48 H SER 48 -3.379 -11.674 -5.826 348 HA SER 48 HA SER 48 -4.430 -13.194 -3.575 349 HB2 SER 48 1HB SER 48 -2.463 -12.530 -2.333 350 HB3 SER 48 2HB SER 48 -1.928 -13.139 -3.887 351 HG SER 48 HG SER 48 -1.738 -10.926 -4.637 352 H ILE 49 H ILE 49 -3.968 -9.961 -5.030 353 HA ILE 49 HA ILE 49 -5.605 -8.848 -2.858 354 HB ILE 49 HB ILE 49 -4.027 -7.026 -4.562 355 HG12 ILE 49 1HG1 ILE 49 -2.519 -9.034 -4.170 356 HG13 ILE 49 2HG1 ILE 49 -1.909 -7.476 -3.651 357 HG21 ILE 49 1HG2 ILE 49 -5.065 -7.198 -1.789 358 HG22 ILE 49 2HG2 ILE 49 -3.532 -6.322 -2.012 359 HG23 ILE 49 3HG2 ILE 49 -4.983 -5.818 -2.910 360 HD11 ILE 49 1HD1 ILE 49 -1.819 -9.614 -2.040 361 HD12 ILE 49 2HD1 ILE 49 -2.102 -7.982 -1.389 362 HD13 ILE 49 3HD1 ILE 49 -3.473 -9.088 -1.646 363 H ALA 50 H ALA 50 -6.345 -6.449 -4.134 364 HA ALA 50 HA ALA 50 -7.776 -7.413 -6.509 365 HB1 ALA 50 1HB ALA 50 -8.868 -6.774 -3.934 366 HB2 ALA 50 2HB ALA 50 -9.380 -5.516 -5.084 367 HB3 ALA 50 3HB ALA 50 -9.731 -7.228 -5.423 368 H LEU 51 H LEU 51 -5.662 -6.278 -7.311 369 HA LEU 51 HA LEU 51 -5.242 -3.584 -7.016 370 HB2 LEU 51 1HB LEU 51 -4.368 -5.719 -8.722 371 HB3 LEU 51 2HB LEU 51 -4.626 -4.280 -9.688 372 HG LEU 51 HG LEU 51 -2.794 -4.576 -7.296 373 HD11 LEU 51 1HD1 LEU 51 -2.334 -4.208 -10.258 374 HD12 LEU 51 2HD1 LEU 51 -1.080 -3.869 -9.042 375 HD13 LEU 51 3HD1 LEU 51 -1.754 -5.510 -9.191 376 HD21 LEU 51 1HD2 LEU 51 -2.896 -2.395 -6.920 377 HD22 LEU 51 2HD2 LEU 51 -2.411 -2.073 -8.602 378 HD23 LEU 51 3HD2 LEU 51 -4.136 -2.224 -8.186 379 H LYS 52 H LYS 52 -7.861 -5.262 -8.603 380 HA LYS 52 HA LYS 52 -8.566 -2.913 -10.158 381 HB2 LYS 52 1HB LYS 52 -9.998 -4.282 -11.351 382 HB3 LYS 52 2HB LYS 52 -8.693 -5.379 -10.947 383 HG2 LYS 52 1HG LYS 52 -10.230 -6.746 -9.992 384 HG3 LYS 52 2HG LYS 52 -10.437 -5.546 -8.732 385 HD2 LYS 52 1HD LYS 52 -12.026 -4.405 -10.596 386 HD3 LYS 52 2HD LYS 52 -12.134 -6.058 -11.167 387 HE2 LYS 52 1HE LYS 52 -12.650 -6.672 -8.667 388 HE3 LYS 52 2HE LYS 52 -12.943 -4.959 -8.450 389 HZ1 LYS 52 1HZ LYS 52 -14.822 -5.083 -9.609 390 HZ2 LYS 52 2HZ LYS 52 -14.223 -6.093 -10.744 391 HZ3 LYS 52 3HZ LYS 52 -14.756 -6.689 -9.320 392 H LYS 53 H LYS 53 -8.443 -2.489 -7.343 393 HA LYS 53 HA LYS 53 -11.115 -1.558 -6.947 394 HB2 LYS 53 1HB LYS 53 -10.719 -4.123 -6.074 395 HB3 LYS 53 2HB LYS 53 -10.300 -3.210 -4.638 396 HG2 LYS 53 1HG LYS 53 -12.445 -2.148 -4.539 397 HG3 LYS 53 2HG LYS 53 -12.827 -2.564 -6.198 398 HD2 LYS 53 1HD LYS 53 -14.095 -4.080 -4.825 399 HD3 LYS 53 2HD LYS 53 -12.785 -5.024 -5.506 400 HE2 LYS 53 1HE LYS 53 -11.593 -5.104 -3.459 401 HE3 LYS 53 2HE LYS 53 -12.389 -3.679 -2.820 402 HZ1 LYS 53 1HZ LYS 53 -13.558 -5.251 -1.760 403 HZ2 LYS 53 2HZ LYS 53 -14.459 -5.254 -3.123 404 HZ3 LYS 53 3HZ LYS 53 -13.323 -6.404 -2.893 405 H VAL 54 H VAL 54 -7.845 -2.224 -5.570 406 HA VAL 54 HA VAL 54 -7.785 -0.379 -3.578 407 HB VAL 54 HB VAL 54 -6.017 -1.948 -3.982 408 HG11 VAL 54 1HG1 VAL 54 -4.561 -1.941 -5.854 409 HG12 VAL 54 2HG1 VAL 54 -6.205 -1.791 -6.520 410 HG13 VAL 54 3HG1 VAL 54 -5.154 -0.358 -6.410 411 HG21 VAL 54 1HG2 VAL 54 -4.054 -0.507 -3.692 412 HG22 VAL 54 2HG2 VAL 54 -4.979 0.890 -4.293 413 HG23 VAL 54 3HG2 VAL 54 -5.442 0.108 -2.762 414 H LYS 55 H LYS 55 -7.086 1.844 -3.409 415 HA LYS 55 HA LYS 55 -7.709 3.334 -5.855 416 HB2 LYS 55 1HB LYS 55 -8.157 3.838 -2.938 417 HB3 LYS 55 2HB LYS 55 -7.901 5.217 -3.988 418 HG2 LYS 55 1HG LYS 55 -9.848 3.084 -4.875 419 HG3 LYS 55 2HG LYS 55 -10.349 4.192 -3.613 420 HD2 LYS 55 1HD LYS 55 -9.696 6.124 -5.129 421 HD3 LYS 55 2HD LYS 55 -9.359 4.964 -6.398 422 HE2 LYS 55 1HE LYS 55 -11.747 4.128 -6.201 423 HE3 LYS 55 2HE LYS 55 -12.058 5.393 -5.030 424 HZ1 LYS 55 1HZ LYS 55 -10.863 6.237 -7.512 425 HZ2 LYS 55 2HZ LYS 55 -12.407 5.714 -7.606 426 HZ3 LYS 55 3HZ LYS 55 -12.025 6.956 -6.617 427 H PHE 56 H PHE 56 -5.829 3.652 -6.966 428 HA PHE 56 HA PHE 56 -3.415 4.187 -5.464 429 HB2 PHE 56 1HB PHE 56 -4.287 3.620 -8.325 430 HB3 PHE 56 2HB PHE 56 -2.730 4.390 -8.091 431 HD1 PHE 56 2HD PHE 56 -4.295 1.804 -5.933 432 HD2 PHE 56 1HD PHE 56 -1.248 2.700 -8.748 433 HE1 PHE 56 2HE PHE 56 -3.249 -0.439 -5.515 434 HE2 PHE 56 1HE PHE 56 -0.202 0.457 -8.329 435 HZ PHE 56 HZ PHE 56 -1.215 -1.086 -6.718 436 H GLN 57 H GLN 57 -5.619 6.166 -5.335 437 HA GLN 57 HA GLN 57 -4.039 8.425 -5.958 438 HB2 GLN 57 1HB GLN 57 -6.031 7.561 -7.903 439 HB3 GLN 57 2HB GLN 57 -6.465 9.132 -7.260 440 HG2 GLN 57 1HG GLN 57 -3.995 9.815 -7.690 441 HG3 GLN 57 2HG GLN 57 -3.859 8.339 -8.624 442 HE21 GLN 57 1HE2 GLN 57 -3.379 9.804 -10.374 443 HE22 GLN 57 2HE2 GLN 57 -4.658 10.521 -11.294 444 H ALA 58 H ALA 58 -5.375 7.034 -3.675 445 HA ALA 58 HA ALA 58 -7.675 8.520 -2.955 446 HB1 ALA 58 1HB ALA 58 -7.768 6.955 -1.337 447 HB2 ALA 58 2HB ALA 58 -6.327 6.227 -2.086 448 HB3 ALA 58 3HB ALA 58 -6.145 7.376 -0.739 449 H LYS 59 H LYS 59 -7.862 10.489 -1.969 450 HA LYS 59 HA LYS 59 -5.336 11.741 -1.146 451 HB2 LYS 59 1HB LYS 59 -7.534 12.643 -2.842 452 HB3 LYS 59 2HB LYS 59 -7.222 13.763 -1.531 453 HG2 LYS 59 1HG LYS 59 -5.057 14.246 -2.258 454 HG3 LYS 59 2HG LYS 59 -4.825 12.666 -2.979 455 HD2 LYS 59 1HD LYS 59 -5.054 14.009 -4.887 456 HD3 LYS 59 2HD LYS 59 -6.695 13.429 -4.679 457 HE2 LYS 59 1HE LYS 59 -7.410 15.576 -4.533 458 HE3 LYS 59 2HE LYS 59 -6.497 15.762 -3.049 459 HZ1 LYS 59 1HZ LYS 59 -5.580 17.331 -4.399 460 HZ2 LYS 59 2HZ LYS 59 -4.546 16.096 -4.666 461 HZ3 LYS 59 3HZ LYS 59 -5.704 16.443 -5.764 462 H LEU 60 H LEU 60 -8.665 10.860 -0.290 463 HA LEU 60 HA LEU 60 -8.545 12.359 2.172 464 HB2 LEU 60 1HB LEU 60 -10.641 10.331 1.491 465 HB3 LEU 60 2HB LEU 60 -10.771 11.782 2.465 466 HG LEU 60 HG LEU 60 -11.838 12.579 0.651 467 HD11 LEU 60 1HD1 LEU 60 -9.341 13.562 0.786 468 HD12 LEU 60 2HD1 LEU 60 -9.319 12.932 -0.879 469 HD13 LEU 60 3HD1 LEU 60 -10.553 14.120 -0.392 470 HD21 LEU 60 1HD2 LEU 60 -10.273 11.005 -1.376 471 HD22 LEU 60 2HD2 LEU 60 -11.547 10.224 -0.408 472 HD23 LEU 60 3HD2 LEU 60 -11.945 11.612 -1.449 473 H GLU 61 H GLU 61 -9.052 11.154 4.284 474 HA GLU 61 HA GLU 61 -7.076 9.110 4.503 475 HB2 GLU 61 1HB GLU 61 -8.131 11.083 6.203 476 HB3 GLU 61 2HB GLU 61 -8.719 9.585 6.896 477 HG2 GLU 61 1HG GLU 61 -6.486 8.694 7.130 478 HG3 GLU 61 2HG GLU 61 -5.801 9.932 6.096 479 H HIS 62 H HIS 62 -10.655 9.415 4.710 480 HA HIS 62 HA HIS 62 -11.238 6.936 5.724 481 HB2 HIS 62 1HB HIS 62 -13.431 7.221 4.703 482 HB3 HIS 62 2HB HIS 62 -12.879 8.707 5.449 483 HD1 HIS 62 1HD HIS 62 -12.744 10.776 3.984 484 HD2 HIS 62 2HD HIS 62 -13.275 7.247 1.780 485 HE1 HIS 62 1HE HIS 62 -13.193 11.497 1.577 486 H GLU 63 H GLU 63 -10.097 7.890 2.505 487 HA GLU 63 HA GLU 63 -10.871 5.522 1.225 488 HB2 GLU 63 1HB GLU 63 -8.556 7.341 0.448 489 HB3 GLU 63 2HB GLU 63 -9.477 6.292 -0.610 490 HG2 GLU 63 1HG GLU 63 -11.344 8.016 0.761 491 HG3 GLU 63 2HG GLU 63 -10.048 9.019 0.141 492 H TYR 64 H TYR 64 -7.643 6.680 2.448 493 HA TYR 64 HA TYR 64 -6.046 4.631 1.901 494 HB2 TYR 64 1HB TYR 64 -6.483 5.933 4.662 495 HB3 TYR 64 2HB TYR 64 -4.976 5.216 4.127 496 HD1 TYR 64 2HD TYR 64 -5.789 6.559 1.190 497 HD2 TYR 64 1HD TYR 64 -4.948 7.928 5.155 498 HE1 TYR 64 2HE TYR 64 -5.049 8.807 0.264 499 HE2 TYR 64 1HE TYR 64 -4.210 10.173 4.215 500 HH TYR 64 HH TYR 64 -4.588 10.905 0.792 501 H ILE 65 H ILE 65 -8.405 4.673 4.655 502 HA ILE 65 HA ILE 65 -7.776 2.346 5.868 503 HB ILE 65 HB ILE 65 -10.383 3.729 5.350 504 HG12 ILE 65 1HG1 ILE 65 -9.950 3.578 8.063 505 HG13 ILE 65 2HG1 ILE 65 -8.313 3.684 7.446 506 HG21 ILE 65 1HG2 ILE 65 -10.021 0.962 6.274 507 HG22 ILE 65 2HG2 ILE 65 -10.992 1.981 7.363 508 HG23 ILE 65 3HG2 ILE 65 -11.469 1.795 5.658 509 HD11 ILE 65 1HD1 ILE 65 -9.803 5.558 5.917 510 HD12 ILE 65 2HD1 ILE 65 -10.345 5.762 7.600 511 HD13 ILE 65 3HD1 ILE 65 -8.618 5.913 7.196 512 H GLN 66 H GLN 66 -10.358 2.531 3.313 513 HA GLN 66 HA GLN 66 -10.633 -0.123 2.955 514 HB2 GLN 66 1HB GLN 66 -10.798 2.105 0.880 515 HB3 GLN 66 2HB GLN 66 -11.388 0.478 0.602 516 HG2 GLN 66 1HG GLN 66 -13.246 0.789 1.907 517 HG3 GLN 66 2HG GLN 66 -12.352 1.638 3.152 518 HE21 GLN 66 1HE2 GLN 66 -13.498 2.001 -0.194 519 HE22 GLN 66 2HE2 GLN 66 -13.911 3.681 -0.108 520 H ASN 67 H ASN 67 -8.430 2.059 1.048 521 HA ASN 67 HA ASN 67 -7.335 0.383 -0.648 522 HB2 ASN 67 1HB ASN 67 -5.882 2.385 1.154 523 HB3 ASN 67 2HB ASN 67 -5.108 1.623 -0.221 524 HD21 ASN 67 1HD2 ASN 67 -4.843 3.338 -1.511 525 HD22 ASN 67 2HD2 ASN 67 -6.117 4.290 -2.197 526 H PHE 68 H PHE 68 -6.429 0.718 2.856 527 HA PHE 68 HA PHE 68 -4.459 -1.314 2.753 528 HB2 PHE 68 1HB PHE 68 -6.017 0.297 4.816 529 HB3 PHE 68 2HB PHE 68 -5.096 -1.081 5.386 530 HD1 PHE 68 2HD PHE 68 -2.584 -1.149 4.642 531 HD2 PHE 68 1HD PHE 68 -4.973 2.358 4.634 532 HE1 PHE 68 2HE PHE 68 -0.510 0.263 4.706 533 HE2 PHE 68 1HE PHE 68 -2.899 3.771 4.698 534 HZ PHE 68 HZ PHE 68 -0.692 2.706 4.733 535 H LYS 69 H LYS 69 -7.887 -1.159 3.922 536 HA LYS 69 HA LYS 69 -8.153 -3.580 5.064 537 HB2 LYS 69 1HB LYS 69 -10.093 -2.131 3.242 538 HB3 LYS 69 2HB LYS 69 -10.527 -3.509 4.232 539 HG2 LYS 69 1HG LYS 69 -9.386 -2.054 6.177 540 HG3 LYS 69 2HG LYS 69 -9.744 -0.723 5.095 541 HD2 LYS 69 1HD LYS 69 -12.021 -0.892 5.409 542 HD3 LYS 69 2HD LYS 69 -11.992 -2.644 5.463 543 HE2 LYS 69 1HE LYS 69 -10.972 -2.502 7.786 544 HE3 LYS 69 2HE LYS 69 -11.166 -0.761 7.724 545 HZ1 LYS 69 1HZ LYS 69 -13.241 -1.044 8.348 546 HZ2 LYS 69 2HZ LYS 69 -13.580 -1.913 7.006 547 HZ3 LYS 69 3HZ LYS 69 -13.073 -2.669 8.362 548 H ILE 70 H ILE 70 -8.298 -2.881 1.512 549 HA ILE 70 HA ILE 70 -8.780 -5.505 0.729 550 HB ILE 70 HB ILE 70 -7.446 -3.187 -0.665 551 HG12 ILE 70 1HG1 ILE 70 -10.255 -4.311 -0.876 552 HG13 ILE 70 2HG1 ILE 70 -9.807 -2.874 0.021 553 HG21 ILE 70 1HG2 ILE 70 -7.420 -5.922 -1.435 554 HG22 ILE 70 2HG2 ILE 70 -8.557 -5.068 -2.506 555 HG23 ILE 70 3HG2 ILE 70 -6.877 -4.499 -2.357 556 HD11 ILE 70 1HD1 ILE 70 -8.945 -3.032 -2.859 557 HD12 ILE 70 2HD1 ILE 70 -10.663 -2.725 -2.514 558 HD13 ILE 70 3HD1 ILE 70 -9.419 -1.613 -1.895 559 H LEU 71 H LEU 71 -5.633 -3.686 0.855 560 HA LEU 71 HA LEU 71 -3.986 -5.733 0.146 561 HB2 LEU 71 1HB LEU 71 -3.243 -3.465 0.390 562 HB3 LEU 71 2HB LEU 71 -3.564 -3.485 2.113 563 HG LEU 71 HG LEU 71 -1.126 -3.740 1.203 564 HD11 LEU 71 1HD1 LEU 71 -1.413 -5.790 3.251 565 HD12 LEU 71 2HD1 LEU 71 -0.639 -4.188 3.328 566 HD13 LEU 71 3HD1 LEU 71 -2.392 -4.344 3.600 567 HD21 LEU 71 1HD2 LEU 71 -1.984 -5.777 -0.209 568 HD22 LEU 71 2HD2 LEU 71 -0.368 -5.805 0.537 569 HD23 LEU 71 3HD2 LEU 71 -1.718 -6.676 1.304 570 H GLN 72 H GLN 72 -5.107 -4.903 3.498 571 HA GLN 72 HA GLN 72 -3.789 -6.865 4.813 572 HB2 GLN 72 1HB GLN 72 -5.035 -5.132 5.981 573 HB3 GLN 72 2HB GLN 72 -6.556 -5.696 5.318 574 HG2 GLN 72 1HG GLN 72 -6.771 -6.959 7.195 575 HG3 GLN 72 2HG GLN 72 -5.528 -7.999 6.527 576 HE21 GLN 72 1HE2 GLN 72 -3.526 -8.040 7.373 577 HE22 GLN 72 2HE2 GLN 72 -3.010 -7.144 8.763 578 H ALA 73 H ALA 73 -6.933 -7.063 3.053 579 HA ALA 73 HA ALA 73 -7.625 -9.635 3.832 580 HB1 ALA 73 1HB ALA 73 -8.746 -7.660 2.335 581 HB2 ALA 73 2HB ALA 73 -8.254 -8.788 1.049 582 HB3 ALA 73 3HB ALA 73 -9.336 -9.339 2.350 583 H GLY 74 H GLY 74 -5.189 -8.423 1.569 584 HA2 GLY 74 1HA GLY 74 -4.858 -10.716 -0.015 585 HA3 GLY 74 2HA GLY 74 -3.667 -9.465 0.286 586 H PHE 75 H PHE 75 -3.684 -9.816 3.253 587 HA PHE 75 HA PHE 75 -1.755 -11.906 3.345 588 HB2 PHE 75 1HB PHE 75 -3.140 -9.990 5.291 589 HB3 PHE 75 2HB PHE 75 -2.048 -11.214 5.907 590 HD1 PHE 75 1HD PHE 75 -1.047 -10.098 2.686 591 HD2 PHE 75 2HD PHE 75 -0.907 -9.081 6.803 592 HE1 PHE 75 1HE PHE 75 0.903 -8.580 2.245 593 HE2 PHE 75 2HE PHE 75 1.043 -7.564 6.363 594 HZ PHE 75 HZ PHE 75 1.925 -7.331 4.089 595 H LYS 76 H LYS 76 -5.051 -11.384 4.775 596 HA LYS 76 HA LYS 76 -5.126 -13.844 6.107 597 HB2 LYS 76 1HB LYS 76 -7.313 -13.292 6.642 598 HB3 LYS 76 2HB LYS 76 -6.575 -11.722 6.396 599 HG2 LYS 76 1HG LYS 76 -8.186 -11.280 4.863 600 HG3 LYS 76 2HG LYS 76 -7.448 -12.478 3.819 601 HD2 LYS 76 1HD LYS 76 -9.206 -13.581 5.970 602 HD3 LYS 76 2HD LYS 76 -10.030 -12.629 4.751 603 HE2 LYS 76 1HE LYS 76 -9.979 -14.432 3.375 604 HE3 LYS 76 2HE LYS 76 -8.235 -14.277 3.293 605 HZ1 LYS 76 1HZ LYS 76 -9.208 -15.534 5.676 606 HZ2 LYS 76 2HZ LYS 76 -9.499 -16.374 4.305 607 HZ3 LYS 76 3HZ LYS 76 -7.969 -15.963 4.702 608 H ARG 77 H ARG 77 -5.237 -13.036 2.748 609 HA ARG 77 HA ARG 77 -6.824 -15.295 2.047 610 HB2 ARG 77 1HB ARG 77 -5.401 -13.078 0.579 611 HB3 ARG 77 2HB ARG 77 -5.744 -14.539 -0.326 612 HG2 ARG 77 1HG ARG 77 -8.174 -14.348 0.487 613 HG3 ARG 77 2HG ARG 77 -7.762 -12.768 1.125 614 HD2 ARG 77 1HD ARG 77 -6.846 -12.296 -1.315 615 HD3 ARG 77 2HD ARG 77 -7.832 -13.670 -1.773 616 HE ARG 77 HE ARG 77 -9.280 -11.724 -0.134 617 HH11 ARG 77 2HH2 ARG 77 -8.312 -12.570 -3.410 618 HH12 ARG 77 1HH2 ARG 77 -9.599 -11.684 -4.156 619 HH21 ARG 77 2HH1 ARG 77 -10.980 -10.555 -1.118 620 HH22 ARG 77 1HH1 ARG 77 -11.127 -10.530 -2.844 621 H MET 78 H MET 78 -3.371 -14.234 1.581 622 HA MET 78 HA MET 78 -2.583 -16.708 0.529 623 HB2 MET 78 1HB MET 78 -0.980 -14.457 1.866 624 HB3 MET 78 2HB MET 78 -0.260 -15.753 0.932 625 HG2 MET 78 1HG MET 78 -2.241 -13.674 -0.117 626 HG3 MET 78 2HG MET 78 -0.525 -13.731 -0.471 627 HE1 MET 78 1HE MET 78 -0.184 -17.246 -1.201 628 HE2 MET 78 2HE MET 78 0.130 -16.439 -2.756 629 HE3 MET 78 3HE MET 78 0.632 -15.664 -1.235 630 H GLY 79 H GLY 79 -1.861 -15.139 3.738 631 HA2 GLY 79 1HA GLY 79 -2.472 -16.935 5.537 632 HA3 GLY 79 2HA GLY 79 -1.113 -17.765 4.804 633 H VAL 80 H VAL 80 -1.875 -14.334 5.770 634 HA VAL 80 HA VAL 80 0.635 -14.365 7.290 635 HB VAL 80 HB VAL 80 -0.402 -12.231 5.418 636 HG11 VAL 80 1HG1 VAL 80 0.428 -10.917 7.131 637 HG12 VAL 80 2HG1 VAL 80 1.647 -12.120 7.613 638 HG13 VAL 80 3HG1 VAL 80 1.886 -11.153 6.138 639 HG21 VAL 80 1HG2 VAL 80 1.923 -12.556 4.417 640 HG22 VAL 80 2HG2 VAL 80 2.026 -14.039 5.397 641 HG23 VAL 80 3HG2 VAL 80 0.753 -13.874 4.163 642 H ASP 81 H ASP 81 0.197 -14.068 9.407 643 HA ASP 81 HA ASP 81 -2.330 -12.828 10.054 644 HB2 ASP 81 1HB ASP 81 -1.322 -15.054 11.064 645 HB3 ASP 81 2HB ASP 81 -0.353 -13.977 12.051 646 H LYS 82 H LYS 82 -1.004 -10.767 9.144 647 HA LYS 82 HA LYS 82 0.500 -9.612 11.387 648 HB2 LYS 82 1HB LYS 82 2.008 -9.727 9.611 649 HB3 LYS 82 2HB LYS 82 0.791 -9.358 8.405 650 HG2 LYS 82 1HG LYS 82 2.078 -7.351 8.635 651 HG3 LYS 82 2HG LYS 82 0.577 -7.035 9.482 652 HD2 LYS 82 1HD LYS 82 1.598 -7.363 11.641 653 HD3 LYS 82 2HD LYS 82 3.019 -8.115 10.944 654 HE2 LYS 82 1HE LYS 82 3.581 -5.926 9.812 655 HE3 LYS 82 2HE LYS 82 2.203 -5.189 10.605 656 HZ1 LYS 82 1HZ LYS 82 4.593 -5.212 11.657 657 HZ2 LYS 82 2HZ LYS 82 3.244 -5.214 12.577 658 HZ3 LYS 82 3HZ LYS 82 4.049 -6.608 12.307 659 H ILE 83 H ILE 83 -0.392 -7.908 12.438 660 HA ILE 83 HA ILE 83 -2.952 -6.982 11.501 661 HB ILE 83 HB ILE 83 -1.317 -6.398 13.970 662 HG12 ILE 83 1HG1 ILE 83 -2.246 -8.712 13.701 663 HG13 ILE 83 2HG1 ILE 83 -2.803 -7.851 15.122 664 HG21 ILE 83 1HG2 ILE 83 -4.203 -5.621 13.584 665 HG22 ILE 83 2HG2 ILE 83 -3.049 -5.086 14.828 666 HG23 ILE 83 3HG2 ILE 83 -2.871 -4.524 13.148 667 HD11 ILE 83 1HD1 ILE 83 -4.454 -9.102 13.294 668 HD12 ILE 83 2HD1 ILE 83 -4.972 -7.810 14.403 669 HD13 ILE 83 3HD1 ILE 83 -4.506 -7.413 12.732 670 H ILE 84 H ILE 84 -3.043 -5.477 9.921 671 HA ILE 84 HA ILE 84 -0.826 -3.677 9.562 672 HB ILE 84 HB ILE 84 -3.416 -4.140 8.090 673 HG12 ILE 84 1HG1 ILE 84 -0.521 -4.823 7.538 674 HG13 ILE 84 2HG1 ILE 84 -1.870 -5.923 7.746 675 HG21 ILE 84 1HG2 ILE 84 -2.482 -1.704 8.126 676 HG22 ILE 84 2HG2 ILE 84 -1.240 -2.362 7.034 677 HG23 ILE 84 3HG2 ILE 84 -2.960 -2.452 6.583 678 HD11 ILE 84 1HD1 ILE 84 -1.986 -5.894 5.467 679 HD12 ILE 84 2HD1 ILE 84 -2.786 -4.319 5.680 680 HD13 ILE 84 3HD1 ILE 84 -1.038 -4.392 5.351 681 HA PRO 85 HA PRO 85 -2.692 -0.691 12.137 682 HB2 PRO 85 1HB PRO 85 -0.654 1.129 12.082 683 HB3 PRO 85 2HB PRO 85 -0.699 -0.225 13.194 684 HG2 PRO 85 1HG PRO 85 0.944 0.123 10.761 685 HG3 PRO 85 2HG PRO 85 1.177 -0.992 12.093 686 HD2 PRO 85 1HD PRO 85 0.133 -1.616 9.495 687 HD3 PRO 85 2HD PRO 85 0.257 -2.704 10.864 688 H VAL 86 H VAL 86 -4.153 -0.728 10.074 689 HA VAL 86 HA VAL 86 -3.740 1.327 8.227 690 HB VAL 86 HB VAL 86 -6.332 0.062 9.137 691 HG11 VAL 86 1HG1 VAL 86 -5.535 1.711 6.747 692 HG12 VAL 86 2HG1 VAL 86 -6.834 0.502 6.609 693 HG13 VAL 86 3HG1 VAL 86 -6.979 1.834 7.780 694 HG21 VAL 86 1HG2 VAL 86 -4.878 -1.734 8.576 695 HG22 VAL 86 2HG2 VAL 86 -5.916 -1.471 7.154 696 HG23 VAL 86 3HG2 VAL 86 -4.240 -0.872 7.155 697 H ASP 87 H ASP 87 -6.082 1.190 11.011 698 HA ASP 87 HA ASP 87 -7.064 3.624 10.946 699 HB2 ASP 87 1HB ASP 87 -6.881 1.627 12.856 700 HB3 ASP 87 2HB ASP 87 -6.022 2.930 13.653 701 H LYS 88 H LYS 88 -3.728 2.691 11.812 702 HA LYS 88 HA LYS 88 -3.089 5.383 12.685 703 HB2 LYS 88 1HB LYS 88 -1.301 2.944 12.482 704 HB3 LYS 88 2HB LYS 88 -0.938 4.448 13.304 705 HG2 LYS 88 1HG LYS 88 -2.844 4.075 14.865 706 HG3 LYS 88 2HG LYS 88 -3.256 2.592 14.027 707 HD2 LYS 88 1HD LYS 88 -1.966 1.950 15.963 708 HD3 LYS 88 2HD LYS 88 -0.927 1.715 14.572 709 HE2 LYS 88 1HE LYS 88 0.432 2.840 16.197 710 HE3 LYS 88 2HE LYS 88 0.020 4.064 15.013 711 HZ1 LYS 88 1HZ LYS 88 -1.900 4.579 16.538 712 HZ2 LYS 88 2HZ LYS 88 -1.139 3.683 17.671 713 HZ3 LYS 88 3HZ LYS 88 -0.415 5.014 17.062 714 H LEU 89 H LEU 89 -1.850 3.006 10.225 715 HA LEU 89 HA LEU 89 -0.194 4.641 8.857 716 HB2 LEU 89 1HB LEU 89 -2.040 2.468 7.878 717 HB3 LEU 89 2HB LEU 89 -0.865 3.249 6.838 718 HG LEU 89 HG LEU 89 -0.158 1.792 9.399 719 HD11 LEU 89 1HD1 LEU 89 0.399 -0.121 8.157 720 HD12 LEU 89 2HD1 LEU 89 -1.196 0.376 7.544 721 HD13 LEU 89 3HD1 LEU 89 0.271 0.738 6.604 722 HD21 LEU 89 1HD2 LEU 89 1.498 3.020 7.191 723 HD22 LEU 89 2HD2 LEU 89 1.547 3.354 8.938 724 HD23 LEU 89 3HD2 LEU 89 2.140 1.796 8.313 725 H VAL 90 H VAL 90 -3.783 4.502 8.658 726 HA VAL 90 HA VAL 90 -3.922 6.357 6.515 727 HB VAL 90 HB VAL 90 -6.299 6.356 6.996 728 HG11 VAL 90 1HG1 VAL 90 -6.441 4.397 5.940 729 HG12 VAL 90 2HG1 VAL 90 -4.733 4.096 6.341 730 HG13 VAL 90 3HG1 VAL 90 -6.018 3.516 7.428 731 HG21 VAL 90 1HG2 VAL 90 -6.821 6.342 9.196 732 HG22 VAL 90 2HG2 VAL 90 -6.831 4.575 8.985 733 HG23 VAL 90 3HG2 VAL 90 -5.388 5.385 9.640 734 H LYS 91 H LYS 91 -3.885 6.546 10.089 735 HA LYS 91 HA LYS 91 -4.646 9.276 10.174 736 HB2 LYS 91 1HB LYS 91 -3.624 7.236 12.108 737 HB3 LYS 91 2HB LYS 91 -3.489 8.925 12.551 738 HG2 LYS 91 1HG LYS 91 -5.956 9.206 12.015 739 HG3 LYS 91 2HG LYS 91 -6.052 7.480 11.730 740 HD2 LYS 91 1HD LYS 91 -5.821 6.942 13.985 741 HD3 LYS 91 2HD LYS 91 -4.824 8.340 14.333 742 HE2 LYS 91 1HE LYS 91 -6.841 9.822 14.106 743 HE3 LYS 91 2HE LYS 91 -7.832 8.411 13.791 744 HZ1 LYS 91 1HZ LYS 91 -7.676 7.740 15.928 745 HZ2 LYS 91 2HZ LYS 91 -6.200 8.392 16.184 746 HZ3 LYS 91 3HZ LYS 91 -7.525 9.347 16.181 747 H GLY 92 H GLY 92 -1.803 7.635 9.164 748 HA2 GLY 92 1HA GLY 92 0.111 8.515 8.327 749 HA3 GLY 92 2HA GLY 92 -0.424 10.122 8.778 750 H LYS 93 H LYS 93 0.571 7.014 10.393 751 HA LYS 93 HA LYS 93 1.896 8.653 12.428 752 HB2 LYS 93 1HB LYS 93 0.858 5.811 12.459 753 HB3 LYS 93 2HB LYS 93 1.903 6.454 13.709 754 HG2 LYS 93 1HG LYS 93 -0.556 8.032 12.934 755 HG3 LYS 93 2HG LYS 93 -0.758 6.604 13.928 756 HD2 LYS 93 1HD LYS 93 -0.328 8.003 15.682 757 HD3 LYS 93 2HD LYS 93 1.352 7.823 15.219 758 HE2 LYS 93 1HE LYS 93 1.418 9.905 14.107 759 HE3 LYS 93 2HE LYS 93 -0.312 9.932 13.829 760 HZ1 LYS 93 1HZ LYS 93 0.755 10.030 16.548 761 HZ2 LYS 93 2HZ LYS 93 0.631 11.388 15.650 762 HZ3 LYS 93 3HZ LYS 93 -0.706 10.522 16.009 763 H PHE 94 H PHE 94 3.711 9.185 11.054 764 HA PHE 94 HA PHE 94 5.218 7.640 9.519 765 HB2 PHE 94 1HB PHE 94 5.749 9.985 10.064 766 HB3 PHE 94 2HB PHE 94 5.970 9.598 11.759 767 HD1 PHE 94 2HD PHE 94 7.471 9.359 8.414 768 HD2 PHE 94 1HD PHE 94 8.047 8.699 12.566 769 HE1 PHE 94 2HE PHE 94 9.933 9.066 8.025 770 HE2 PHE 94 1HE PHE 94 10.510 8.406 12.177 771 HZ PHE 94 HZ PHE 94 11.423 8.593 9.912 772 H GLN 95 H GLN 95 4.950 7.375 13.065 773 HA GLN 95 HA GLN 95 7.221 5.758 13.366 774 HB2 GLN 95 1HB GLN 95 6.163 7.054 15.216 775 HB3 GLN 95 2HB GLN 95 4.752 6.017 15.140 776 HG2 GLN 95 1HG GLN 95 6.154 4.037 15.703 777 HG3 GLN 95 2HG GLN 95 7.589 5.044 15.729 778 HE21 GLN 95 1HE2 GLN 95 7.589 3.974 17.914 779 HE22 GLN 95 2HE2 GLN 95 6.846 4.822 19.228 780 H ASP 96 H ASP 96 3.667 5.052 13.146 781 HA ASP 96 HA ASP 96 4.199 2.253 13.146 782 HB2 ASP 96 1HB ASP 96 1.927 4.001 13.499 783 HB3 ASP 96 2HB ASP 96 1.538 2.880 12.209 784 H ASN 97 H ASN 97 4.845 4.548 10.918 785 HA ASN 97 HA ASN 97 3.677 3.112 8.681 786 HB2 ASN 97 1HB ASN 97 4.285 5.910 9.234 787 HB3 ASN 97 2HB ASN 97 5.162 5.413 7.800 788 HD21 ASN 97 1HD2 ASN 97 2.167 6.270 9.151 789 HD22 ASN 97 2HD2 ASN 97 1.145 6.022 7.775 790 H PHE 98 H PHE 98 6.743 4.376 10.119 791 HA PHE 98 HA PHE 98 8.354 3.267 8.024 792 HB2 PHE 98 1HB PHE 98 8.773 5.378 9.471 793 HB3 PHE 98 2HB PHE 98 9.052 4.311 10.833 794 HD1 PHE 98 1HD PHE 98 10.814 2.321 10.179 795 HD2 PHE 98 2HD PHE 98 10.664 6.199 8.462 796 HE1 PHE 98 1HE PHE 98 13.232 2.129 9.533 797 HE2 PHE 98 2HE PHE 98 13.082 6.007 7.817 798 HZ PHE 98 HZ PHE 98 14.337 3.974 8.360 799 H GLU 99 H GLU 99 7.354 2.410 11.361 800 HA GLU 99 HA GLU 99 9.204 0.262 11.495 801 HB2 GLU 99 1HB GLU 99 6.784 0.914 13.234 802 HB3 GLU 99 2HB GLU 99 8.004 -0.283 13.619 803 HG2 GLU 99 1HG GLU 99 9.749 1.600 13.446 804 HG3 GLU 99 2HG GLU 99 8.411 2.727 13.344 805 H PHE 100 H PHE 100 6.268 0.769 9.851 806 HA PHE 100 HA PHE 100 5.441 -2.013 10.072 807 HB2 PHE 100 1HB PHE 100 3.636 -0.405 10.189 808 HB3 PHE 100 2HB PHE 100 4.359 0.618 8.964 809 HD1 PHE 100 2HD PHE 100 4.332 -0.168 6.560 810 HD2 PHE 100 1HD PHE 100 2.070 -2.069 9.605 811 HE1 PHE 100 2HE PHE 100 2.869 -1.223 4.814 812 HE2 PHE 100 1HE PHE 100 0.606 -3.124 7.860 813 HZ PHE 100 HZ PHE 100 1.023 -2.688 5.485 814 H VAL 101 H VAL 101 6.778 0.381 7.754 815 HA VAL 101 HA VAL 101 6.560 -1.406 5.536 816 HB VAL 101 HB VAL 101 6.433 0.968 5.211 817 HG11 VAL 101 1HG1 VAL 101 8.483 1.092 7.147 818 HG12 VAL 101 2HG1 VAL 101 9.180 1.753 5.649 819 HG13 VAL 101 3HG1 VAL 101 7.684 2.449 6.317 820 HG21 VAL 101 1HG2 VAL 101 8.949 -0.281 4.072 821 HG22 VAL 101 2HG2 VAL 101 7.332 -0.201 3.333 822 HG23 VAL 101 3HG2 VAL 101 8.295 1.283 3.529 823 H GLN 102 H GLN 102 8.889 -0.718 8.113 824 HA GLN 102 HA GLN 102 11.113 -1.794 6.815 825 HB2 GLN 102 1HB GLN 102 12.191 -1.678 8.957 826 HB3 GLN 102 2HB GLN 102 11.102 -0.308 8.879 827 HG2 GLN 102 1HG GLN 102 9.501 -1.342 10.329 828 HG3 GLN 102 2HG GLN 102 10.193 -2.936 10.104 829 HE21 GLN 102 1HE2 GLN 102 9.735 -2.101 12.598 830 HE22 GLN 102 2HE2 GLN 102 11.199 -1.733 13.447 831 H TRP 103 H TRP 103 8.339 -3.205 8.491 832 HA TRP 103 HA TRP 103 9.627 -5.769 8.807 833 HB2 TRP 103 1HB TRP 103 8.132 -5.134 10.530 834 HB3 TRP 103 2HB TRP 103 6.867 -4.711 9.393 835 HD1 TRP 103 HD TRP 103 8.373 -7.753 11.161 836 HE1 TRP 103 1HE TRP 103 6.891 -9.910 10.821 837 HE3 TRP 103 3HE TRP 103 5.285 -5.720 7.670 838 HZ2 TRP 103 2HZ TRP 103 4.644 -10.510 9.168 839 HZ3 TRP 103 3HZ TRP 103 3.473 -7.160 6.744 840 HH2 TRP 103 HH TRP 103 3.127 -9.477 7.438 841 H PHE 104 H PHE 104 6.807 -4.379 6.967 842 HA PHE 104 HA PHE 104 6.094 -6.482 5.474 843 HB2 PHE 104 1HB PHE 104 6.132 -3.540 5.317 844 HB3 PHE 104 2HB PHE 104 6.293 -4.213 3.707 845 HD1 PHE 104 2HD PHE 104 4.159 -4.362 6.747 846 HD2 PHE 104 1HD PHE 104 4.409 -4.979 2.556 847 HE1 PHE 104 2HE PHE 104 1.678 -4.733 6.654 848 HE2 PHE 104 1HE PHE 104 1.928 -5.350 2.463 849 HZ PHE 104 HZ PHE 104 0.593 -5.223 4.513 850 H LYS 105 H LYS 105 8.886 -4.277 4.804 851 HA LYS 105 HA LYS 105 9.580 -5.509 2.377 852 HB2 LYS 105 1HB LYS 105 10.239 -3.214 3.126 853 HB3 LYS 105 2HB LYS 105 11.345 -3.937 4.276 854 HG2 LYS 105 1HG LYS 105 11.588 -4.963 1.481 855 HG3 LYS 105 2HG LYS 105 12.015 -3.276 1.687 856 HD2 LYS 105 1HD LYS 105 13.343 -4.284 3.827 857 HD3 LYS 105 2HD LYS 105 13.334 -5.725 2.830 858 HE2 LYS 105 1HE LYS 105 14.382 -4.481 0.959 859 HE3 LYS 105 2HE LYS 105 14.311 -2.990 1.878 860 HZ1 LYS 105 1HZ LYS 105 15.594 -4.500 3.584 861 HZ2 LYS 105 2HZ LYS 105 16.068 -5.251 2.214 862 HZ3 LYS 105 3HZ LYS 105 16.368 -3.659 2.418 863 H LYS 106 H LYS 106 11.104 -5.769 5.672 864 HA LYS 106 HA LYS 106 12.901 -7.722 5.113 865 HB2 LYS 106 1HB LYS 106 11.278 -7.241 7.625 866 HB3 LYS 106 2HB LYS 106 12.623 -8.361 7.544 867 HG2 LYS 106 1HG LYS 106 12.940 -5.477 6.633 868 HG3 LYS 106 2HG LYS 106 13.092 -5.906 8.325 869 HD2 LYS 106 1HD LYS 106 15.263 -6.417 7.894 870 HD3 LYS 106 2HD LYS 106 14.678 -7.830 7.040 871 HE2 LYS 106 1HE LYS 106 14.424 -5.516 5.302 872 HE3 LYS 106 2HE LYS 106 16.052 -5.560 5.950 873 HZ1 LYS 106 1HZ LYS 106 15.488 -6.916 3.878 874 HZ2 LYS 106 2HZ LYS 106 16.433 -7.600 5.020 875 HZ3 LYS 106 3HZ LYS 106 14.854 -8.007 4.915 876 H PHE 107 H PHE 107 9.454 -8.202 6.151 877 HA PHE 107 HA PHE 107 9.496 -10.962 6.052 878 HB2 PHE 107 1HB PHE 107 7.730 -9.200 6.888 879 HB3 PHE 107 2HB PHE 107 7.202 -9.098 5.220 880 HD1 PHE 107 2HD PHE 107 7.625 -11.483 8.033 881 HD2 PHE 107 1HD PHE 107 5.673 -10.651 4.358 882 HE1 PHE 107 2HE PHE 107 6.110 -13.452 8.392 883 HE2 PHE 107 1HE PHE 107 4.157 -12.620 4.717 884 HZ PHE 107 HZ PHE 107 4.394 -13.996 6.730 885 H PHE 108 H PHE 108 8.504 -8.580 3.492 886 HA PHE 108 HA PHE 108 7.711 -10.309 1.565 887 HB2 PHE 108 1HB PHE 108 8.994 -7.609 1.794 888 HB3 PHE 108 2HB PHE 108 9.210 -8.345 0.218 889 HD1 PHE 108 1HD PHE 108 6.327 -8.321 2.597 890 HD2 PHE 108 2HD PHE 108 7.764 -7.358 -1.278 891 HE1 PHE 108 1HE PHE 108 4.027 -7.569 1.930 892 HE2 PHE 108 2HE PHE 108 5.464 -6.607 -1.945 893 HZ PHE 108 HZ PHE 108 3.623 -6.722 -0.333 894 H ASP 109 H ASP 109 11.101 -9.258 2.297 895 HA ASP 109 HA ASP 109 12.311 -10.488 0.189 896 HB2 ASP 109 1HB ASP 109 13.561 -9.010 1.636 897 HB3 ASP 109 2HB ASP 109 13.213 -9.982 3.052 898 H SER 110 H SER 110 11.648 -11.717 3.553 899 HA SER 110 HA SER 110 11.501 -13.710 4.398 900 HB2 SER 110 1HB SER 110 9.735 -14.136 2.786 901 HB3 SER 110 2HB SER 110 10.892 -14.482 1.516 902 HG SER 110 HG SER 110 11.259 -16.477 2.312 903 H GLY 111 H GLY 111 13.293 -14.697 5.247 904 HA2 GLY 111 1HA GLY 111 15.267 -15.814 3.356 905 HA3 GLY 111 2HA GLY 111 15.767 -14.800 4.695 906 HA PRO 112 HA PRO 112 15.724 -18.314 7.235 907 HB2 PRO 112 1HB PRO 112 15.518 -17.203 9.724 908 HB3 PRO 112 2HB PRO 112 17.023 -17.278 8.829 909 HG2 PRO 112 1HG PRO 112 15.260 -14.952 9.299 910 HG3 PRO 112 2HG PRO 112 16.937 -14.973 8.792 911 HD2 PRO 112 1HD PRO 112 14.649 -14.487 7.132 912 HD3 PRO 112 2HD PRO 112 16.315 -14.623 6.606 913 H SER 113 H SER 113 14.549 -19.673 8.828 914 HA SER 113 HA SER 113 11.825 -18.808 9.133 915 HB2 SER 113 1HB SER 113 11.987 -20.014 6.893 916 HB3 SER 113 2HB SER 113 12.452 -21.460 7.766 917 HG SER 113 HG SER 113 10.275 -21.706 7.632 918 H SER 114 H SER 114 11.348 -19.225 11.256 919 HA SER 114 HA SER 114 12.824 -21.399 12.502 920 HB2 SER 114 1HB SER 114 12.230 -18.713 13.307 921 HB3 SER 114 2HB SER 114 11.362 -19.771 14.400 922 HG SER 114 HG SER 114 14.192 -19.923 13.790 923 H GLY 115 H GLY 115 9.560 -19.780 12.615 924 HA2 GLY 115 1HA GLY 115 8.383 -22.451 13.111 925 HA3 GLY 115 2HA GLY 115 7.813 -20.980 13.873 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 23.602 12.556 -10.599 2 HA2 GLY 1 1HA GLY 1 24.198 14.314 -9.215 3 HA3 GLY 1 2HA GLY 1 22.770 14.054 -8.233 4 H SER 2 H SER 2 25.857 14.172 -7.715 5 HA SER 2 HA SER 2 26.141 11.557 -6.496 6 HB2 SER 2 1HB SER 2 27.932 13.163 -7.900 7 HB3 SER 2 2HB SER 2 28.391 13.463 -6.236 8 HG SER 2 HG SER 2 28.405 11.041 -5.990 9 H SER 3 H SER 3 25.112 11.535 -4.504 10 HA SER 3 HA SER 3 24.646 12.023 -2.443 11 HB2 SER 3 1HB SER 3 27.352 12.495 -2.617 12 HB3 SER 3 2HB SER 3 26.795 14.042 -2.012 13 HG SER 3 HG SER 3 25.531 12.023 -0.645 14 H GLY 4 H GLY 4 22.752 13.169 -2.233 15 HA2 GLY 4 1HA GLY 4 22.922 16.101 -2.393 16 HA3 GLY 4 2HA GLY 4 21.730 15.256 -3.360 17 H SER 5 H SER 5 19.883 16.068 -2.286 18 HA SER 5 HA SER 5 19.553 16.385 0.365 19 HB2 SER 5 1HB SER 5 17.510 15.442 -1.694 20 HB3 SER 5 2HB SER 5 17.084 16.017 -0.094 21 HG SER 5 HG SER 5 18.156 18.064 -0.639 22 H SER 6 H SER 6 18.664 13.424 -1.562 23 HA SER 6 HA SER 6 17.691 11.857 0.336 24 HB2 SER 6 1HB SER 6 19.399 11.352 -2.071 25 HB3 SER 6 2HB SER 6 19.225 10.010 -0.957 26 HG SER 6 HG SER 6 16.819 11.352 -1.557 27 H GLY 7 H GLY 7 18.482 10.399 1.969 28 HA2 GLY 7 1HA GLY 7 21.245 10.995 2.841 29 HA3 GLY 7 2HA GLY 7 19.900 10.645 3.908 30 H GLN 8 H GLN 8 20.099 8.652 4.821 31 HA GLN 8 HA GLN 8 20.987 6.520 3.038 32 HB2 GLN 8 1HB GLN 8 22.150 7.432 5.538 33 HB3 GLN 8 2HB GLN 8 21.588 5.784 5.731 34 HG2 GLN 8 1HG GLN 8 23.614 5.253 4.791 35 HG3 GLN 8 2HG GLN 8 22.774 5.554 3.283 36 HE21 GLN 8 1HE2 GLN 8 24.551 6.226 2.174 37 HE22 GLN 8 2HE2 GLN 8 25.373 7.724 2.458 38 H ARG 9 H ARG 9 19.457 7.032 6.307 39 HA ARG 9 HA ARG 9 17.949 4.670 6.007 40 HB2 ARG 9 1HB ARG 9 18.334 6.793 8.060 41 HB3 ARG 9 2HB ARG 9 16.730 6.088 8.070 42 HG2 ARG 9 1HG ARG 9 18.327 3.830 7.820 43 HG3 ARG 9 2HG ARG 9 19.337 4.865 8.810 44 HD2 ARG 9 1HD ARG 9 17.064 5.262 10.168 45 HD3 ARG 9 2HD ARG 9 16.592 3.748 9.423 46 HE ARG 9 HE ARG 9 18.577 4.101 11.527 47 HH11 ARG 9 2HH2 ARG 9 17.642 2.050 8.825 48 HH12 ARG 9 1HH2 ARG 9 18.440 0.646 9.449 49 HH21 ARG 9 2HH1 ARG 9 19.630 2.248 12.351 50 HH22 ARG 9 1HH1 ARG 9 19.579 0.759 11.468 51 H ARG 10 H ARG 10 15.421 4.796 6.404 52 HA ARG 10 HA ARG 10 13.442 5.448 5.811 53 HB2 ARG 10 1HB ARG 10 14.849 8.000 5.997 54 HB3 ARG 10 2HB ARG 10 13.690 8.071 4.685 55 HG2 ARG 10 1HG ARG 10 12.127 6.864 6.562 56 HG3 ARG 10 2HG ARG 10 13.212 7.732 7.630 57 HD2 ARG 10 1HD ARG 10 11.306 8.854 5.556 58 HD3 ARG 10 2HD ARG 10 11.460 9.289 7.247 59 HE ARG 10 HE ARG 10 13.425 10.585 6.734 60 HH11 ARG 10 2HH2 ARG 10 11.985 9.099 3.888 61 HH12 ARG 10 1HH2 ARG 10 12.827 10.121 2.771 62 HH21 ARG 10 2HH1 ARG 10 14.535 11.934 5.261 63 HH22 ARG 10 1HH1 ARG 10 14.287 11.745 3.558 64 H HIS 11 H HIS 11 15.625 7.256 3.511 65 HA HIS 11 HA HIS 11 14.088 6.744 1.270 66 HB2 HIS 11 1HB HIS 11 15.994 8.430 1.657 67 HB3 HIS 11 2HB HIS 11 17.084 7.124 1.235 68 HD1 HIS 11 1HD HIS 11 17.439 6.648 -1.230 69 HD2 HIS 11 2HD HIS 11 14.170 9.177 -0.515 70 HE1 HIS 11 1HE HIS 11 16.673 7.488 -3.514 71 H ASP 12 H ASP 12 16.039 4.622 3.171 72 HA ASP 12 HA ASP 12 17.014 2.935 1.229 73 HB2 ASP 12 1HB ASP 12 17.422 2.987 3.798 74 HB3 ASP 12 2HB ASP 12 15.959 2.032 3.940 75 H MET 13 H MET 13 13.855 3.104 2.976 76 HA MET 13 HA MET 13 12.896 0.718 1.770 77 HB2 MET 13 1HB MET 13 11.322 2.946 3.171 78 HB3 MET 13 2HB MET 13 10.816 1.279 2.981 79 HG2 MET 13 1HG MET 13 13.248 2.201 4.591 80 HG3 MET 13 2HG MET 13 11.704 1.737 5.277 81 HE1 MET 13 1HE MET 13 10.511 -0.273 4.244 82 HE2 MET 13 2HE MET 13 11.319 -1.092 2.886 83 HE3 MET 13 3HE MET 13 11.243 -1.878 4.481 84 H LEU 14 H LEU 14 12.164 4.262 1.442 85 HA LEU 14 HA LEU 14 10.202 4.197 -0.403 86 HB2 LEU 14 1HB LEU 14 12.508 6.111 -0.643 87 HB3 LEU 14 2HB LEU 14 10.814 6.385 -0.995 88 HG LEU 14 HG LEU 14 12.188 6.246 1.679 89 HD11 LEU 14 1HD1 LEU 14 10.821 8.366 1.989 90 HD12 LEU 14 2HD1 LEU 14 12.140 8.432 0.796 91 HD13 LEU 14 3HD1 LEU 14 10.454 8.266 0.251 92 HD21 LEU 14 1HD2 LEU 14 9.221 5.913 1.171 93 HD22 LEU 14 2HD2 LEU 14 10.323 4.765 1.969 94 HD23 LEU 14 3HD2 LEU 14 9.938 6.318 2.749 95 H ALA 15 H ALA 15 13.728 3.719 -0.973 96 HA ALA 15 HA ALA 15 13.580 3.643 -3.759 97 HB1 ALA 15 1HB ALA 15 15.759 2.367 -3.496 98 HB2 ALA 15 2HB ALA 15 15.689 3.924 -2.636 99 HB3 ALA 15 3HB ALA 15 15.483 2.401 -1.738 100 H TRP 16 H TRP 16 13.307 1.057 -1.241 101 HA TRP 16 HA TRP 16 13.234 -1.154 -2.800 102 HB2 TRP 16 1HB TRP 16 13.125 -1.132 -0.353 103 HB3 TRP 16 2HB TRP 16 11.476 -0.542 -0.417 104 HD1 TRP 16 HD TRP 16 13.300 -3.645 -1.982 105 HE1 TRP 16 1HE TRP 16 11.803 -5.804 -1.739 106 HE3 TRP 16 3HE TRP 16 9.411 -1.326 0.330 107 HZ2 TRP 16 2HZ TRP 16 9.217 -6.289 -0.632 108 HZ3 TRP 16 3HZ TRP 16 7.438 -2.715 0.959 109 HH2 TRP 16 HH TRP 16 7.303 -5.114 0.514 110 H ILE 17 H ILE 17 10.217 0.565 -1.702 111 HA ILE 17 HA ILE 17 8.549 -0.644 -3.533 112 HB ILE 17 HB ILE 17 8.440 1.923 -1.986 113 HG12 ILE 17 1HG1 ILE 17 6.303 0.132 -1.436 114 HG13 ILE 17 2HG1 ILE 17 7.766 -0.831 -1.510 115 HG21 ILE 17 1HG2 ILE 17 6.729 1.125 -4.260 116 HG22 ILE 17 2HG2 ILE 17 5.869 1.627 -2.784 117 HG23 ILE 17 3HG2 ILE 17 7.038 2.728 -3.552 118 HD11 ILE 17 1HD1 ILE 17 7.515 1.743 0.110 119 HD12 ILE 17 2HD1 ILE 17 7.294 0.110 0.782 120 HD13 ILE 17 3HD1 ILE 17 8.878 0.599 0.133 121 H ASN 18 H ASN 18 10.061 2.658 -3.745 122 HA ASN 18 HA ASN 18 9.190 3.459 -6.092 123 HB2 ASN 18 1HB ASN 18 12.020 3.563 -4.956 124 HB3 ASN 18 2HB ASN 18 11.632 4.372 -6.462 125 HD21 ASN 18 1HD2 ASN 18 12.437 6.118 -4.901 126 HD22 ASN 18 2HD2 ASN 18 11.227 7.013 -4.043 127 H GLU 19 H GLU 19 11.873 1.087 -5.517 128 HA GLU 19 HA GLU 19 12.040 0.628 -8.365 129 HB2 GLU 19 1HB GLU 19 13.828 0.279 -6.042 130 HB3 GLU 19 2HB GLU 19 13.851 -1.100 -7.123 131 HG2 GLU 19 1HG GLU 19 13.884 1.209 -8.804 132 HG3 GLU 19 2HG GLU 19 15.016 1.543 -7.508 133 H SER 20 H SER 20 9.631 -0.199 -7.924 134 HA SER 20 HA SER 20 9.839 -3.029 -8.056 135 HB2 SER 20 1HB SER 20 8.177 -1.779 -5.823 136 HB3 SER 20 2HB SER 20 8.170 -3.477 -6.254 137 HG SER 20 HG SER 20 9.835 -2.224 -4.558 138 H LEU 21 H LEU 21 7.766 -0.086 -7.768 139 HA LEU 21 HA LEU 21 6.152 -1.165 -9.964 140 HB2 LEU 21 1HB LEU 21 4.884 0.469 -7.803 141 HB3 LEU 21 2HB LEU 21 4.144 -0.617 -8.962 142 HG LEU 21 HG LEU 21 5.999 -1.793 -6.931 143 HD11 LEU 21 1HD1 LEU 21 4.864 -0.637 -5.325 144 HD12 LEU 21 2HD1 LEU 21 3.392 -0.478 -6.312 145 HD13 LEU 21 3HD1 LEU 21 3.768 -2.026 -5.519 146 HD21 LEU 21 1HD2 LEU 21 4.872 -3.748 -7.315 147 HD22 LEU 21 2HD2 LEU 21 3.345 -2.925 -7.717 148 HD23 LEU 21 3HD2 LEU 21 4.677 -2.954 -8.897 149 H GLN 22 H GLN 22 8.457 0.959 -9.194 150 HA GLN 22 HA GLN 22 9.150 2.829 -10.052 151 HB2 GLN 22 1HB GLN 22 6.877 2.283 -11.978 152 HB3 GLN 22 2HB GLN 22 7.781 3.779 -12.097 153 HG2 GLN 22 1HG GLN 22 9.897 2.537 -12.360 154 HG3 GLN 22 2HG GLN 22 9.076 1.013 -12.088 155 HE21 GLN 22 1HE2 GLN 22 10.423 2.788 -14.382 156 HE22 GLN 22 2HE2 GLN 22 9.478 2.386 -15.777 157 H LEU 23 H LEU 23 8.512 3.686 -7.877 158 HA LEU 23 HA LEU 23 6.209 5.495 -8.080 159 HB2 LEU 23 1HB LEU 23 7.541 4.402 -5.599 160 HB3 LEU 23 2HB LEU 23 6.121 5.428 -5.658 161 HG LEU 23 HG LEU 23 5.409 3.194 -5.217 162 HD11 LEU 23 1HD1 LEU 23 4.819 3.724 -8.139 163 HD12 LEU 23 2HD1 LEU 23 3.826 2.812 -6.978 164 HD13 LEU 23 3HD1 LEU 23 4.037 4.568 -6.781 165 HD21 LEU 23 1HD2 LEU 23 7.605 2.315 -6.476 166 HD22 LEU 23 2HD2 LEU 23 6.187 1.287 -6.159 167 HD23 LEU 23 3HD2 LEU 23 6.407 2.030 -7.762 168 H ASN 24 H ASN 24 7.056 7.076 -5.771 169 HA ASN 24 HA ASN 24 9.641 8.030 -6.189 170 HB2 ASN 24 1HB ASN 24 8.447 8.907 -8.295 171 HB3 ASN 24 2HB ASN 24 7.433 9.871 -7.241 172 HD21 ASN 24 1HD2 ASN 24 10.052 9.959 -9.153 173 HD22 ASN 24 2HD2 ASN 24 10.965 11.253 -8.451 174 H LEU 25 H LEU 25 8.846 7.416 -3.817 175 HA LEU 25 HA LEU 25 7.325 9.593 -2.614 176 HB2 LEU 25 1HB LEU 25 8.273 7.030 -1.337 177 HB3 LEU 25 2HB LEU 25 7.086 8.160 -0.717 178 HG LEU 25 HG LEU 25 6.793 6.330 -3.110 179 HD11 LEU 25 1HD1 LEU 25 6.415 5.033 -1.222 180 HD12 LEU 25 2HD1 LEU 25 5.653 6.369 -0.327 181 HD13 LEU 25 3HD1 LEU 25 4.780 5.581 -1.663 182 HD21 LEU 25 1HD2 LEU 25 4.505 7.219 -3.337 183 HD22 LEU 25 2HD2 LEU 25 4.877 8.455 -2.111 184 HD23 LEU 25 3HD2 LEU 25 5.751 8.448 -3.662 185 H THR 26 H THR 26 8.175 10.977 -1.039 186 HA THR 26 HA THR 26 11.109 10.959 -0.925 187 HB THR 26 HB THR 26 10.101 12.993 -1.866 188 HG1 THR 26 1HG THR 26 11.422 14.145 -0.495 189 HG21 THR 26 1HG2 THR 26 8.271 12.684 0.504 190 HG22 THR 26 2HG2 THR 26 8.786 14.339 0.101 191 HG23 THR 26 3HG2 THR 26 7.925 13.356 -1.107 192 H LYS 27 H LYS 27 8.174 10.570 0.986 193 HA LYS 27 HA LYS 27 9.910 10.239 3.329 194 HB2 LYS 27 1HB LYS 27 7.105 11.378 3.414 195 HB3 LYS 27 2HB LYS 27 8.236 11.228 4.744 196 HG2 LYS 27 1HG LYS 27 9.110 12.776 2.303 197 HG3 LYS 27 2HG LYS 27 7.964 13.532 3.392 198 HD2 LYS 27 1HD LYS 27 9.782 12.581 5.212 199 HD3 LYS 27 2HD LYS 27 10.841 12.841 3.841 200 HE2 LYS 27 1HE LYS 27 10.827 14.906 5.089 201 HE3 LYS 27 2HE LYS 27 9.884 15.199 3.641 202 HZ1 LYS 27 1HZ LYS 27 8.496 15.968 5.232 203 HZ2 LYS 27 2HZ LYS 27 7.963 14.425 5.183 204 HZ3 LYS 27 3HZ LYS 27 8.971 14.903 6.375 205 H ILE 28 H ILE 28 8.746 8.830 5.052 206 HA ILE 28 HA ILE 28 7.962 6.436 3.700 207 HB ILE 28 HB ILE 28 8.502 7.238 6.535 208 HG12 ILE 28 1HG1 ILE 28 10.278 6.604 4.764 209 HG13 ILE 28 2HG1 ILE 28 10.382 5.897 6.365 210 HG21 ILE 28 1HG2 ILE 28 6.718 5.095 5.667 211 HG22 ILE 28 2HG2 ILE 28 8.085 4.506 6.643 212 HG23 ILE 28 3HG2 ILE 28 7.008 5.767 7.290 213 HD11 ILE 28 1HD1 ILE 28 8.670 4.301 4.580 214 HD12 ILE 28 2HD1 ILE 28 10.323 4.488 3.948 215 HD13 ILE 28 3HD1 ILE 28 10.061 3.793 5.566 216 H GLU 29 H GLU 29 6.398 8.890 5.838 217 HA GLU 29 HA GLU 29 4.026 7.709 6.246 218 HB2 GLU 29 1HB GLU 29 5.092 10.356 6.379 219 HB3 GLU 29 2HB GLU 29 3.552 10.487 5.554 220 HG2 GLU 29 1HG GLU 29 2.527 9.077 7.429 221 HG3 GLU 29 2HG GLU 29 4.056 9.204 8.277 222 H GLN 30 H GLN 30 5.355 8.818 3.196 223 HA GLN 30 HA GLN 30 3.150 9.401 1.751 224 HB2 GLN 30 1HB GLN 30 5.790 8.105 1.089 225 HB3 GLN 30 2HB GLN 30 4.562 8.167 -0.160 226 HG2 GLN 30 1HG GLN 30 5.089 10.700 1.381 227 HG3 GLN 30 2HG GLN 30 6.317 10.185 0.241 228 HE21 GLN 30 1HE2 GLN 30 6.054 11.680 -1.300 229 HE22 GLN 30 2HE2 GLN 30 4.630 11.898 -2.260 230 H LEU 31 H LEU 31 4.040 6.342 3.186 231 HA LEU 31 HA LEU 31 2.259 4.860 1.431 232 HB2 LEU 31 1HB LEU 31 3.649 3.661 3.784 233 HB3 LEU 31 2HB LEU 31 3.231 2.944 2.241 234 HG LEU 31 HG LEU 31 5.162 5.112 1.937 235 HD11 LEU 31 1HD1 LEU 31 5.629 4.081 4.296 236 HD12 LEU 31 2HD1 LEU 31 6.308 2.732 3.355 237 HD13 LEU 31 3HD1 LEU 31 6.968 4.374 3.160 238 HD21 LEU 31 1HD2 LEU 31 5.783 2.276 1.268 239 HD22 LEU 31 2HD2 LEU 31 4.409 3.044 0.437 240 HD23 LEU 31 3HD2 LEU 31 6.033 3.765 0.326 241 H CYS 32 H CYS 32 1.167 7.029 3.072 242 HA CYS 32 HA CYS 32 -0.190 5.607 5.200 243 HB2 CYS 32 1HB CYS 32 -1.113 7.841 5.776 244 HB3 CYS 32 2HB CYS 32 0.639 7.795 5.782 245 HG CYS 32 HG CYS 32 -0.472 10.062 4.753 246 H SER 33 H SER 33 -0.520 5.137 2.169 247 HA SER 33 HA SER 33 -3.337 5.864 1.996 248 HB2 SER 33 1HB SER 33 -2.924 5.238 -0.515 249 HB3 SER 33 2HB SER 33 -2.336 6.776 0.084 250 HG SER 33 HG SER 33 -0.883 5.025 -1.171 251 H GLY 34 H GLY 34 -1.018 3.249 0.955 252 HA2 GLY 34 1HA GLY 34 -1.269 1.009 1.662 253 HA3 GLY 34 2HA GLY 34 -2.993 1.257 1.851 254 H ALA 35 H ALA 35 -0.740 2.077 -0.880 255 HA ALA 35 HA ALA 35 -2.454 0.406 -2.590 256 HB1 ALA 35 1HB ALA 35 -0.893 2.540 -3.893 257 HB2 ALA 35 2HB ALA 35 -2.611 2.110 -4.071 258 HB3 ALA 35 3HB ALA 35 -2.087 3.146 -2.722 259 H ALA 36 H ALA 36 0.868 1.857 -2.285 260 HA ALA 36 HA ALA 36 2.230 0.413 -4.077 261 HB1 ALA 36 1HB ALA 36 2.859 1.434 -1.322 262 HB2 ALA 36 2HB ALA 36 4.064 0.418 -2.149 263 HB3 ALA 36 3HB ALA 36 3.515 1.936 -2.898 264 H TYR 37 H TYR 37 1.665 -0.689 -0.653 265 HA TYR 37 HA TYR 37 2.767 -3.156 -0.807 266 HB2 TYR 37 1HB TYR 37 0.026 -2.440 0.399 267 HB3 TYR 37 2HB TYR 37 1.132 -3.651 1.016 268 HD1 TYR 37 2HD TYR 37 3.299 -2.924 2.085 269 HD2 TYR 37 1HD TYR 37 0.228 -0.142 1.023 270 HE1 TYR 37 2HE TYR 37 4.329 -1.187 3.630 271 HE2 TYR 37 1HE TYR 37 1.268 1.586 2.571 272 HH TYR 37 HH TYR 37 4.112 0.769 4.532 273 H CYS 38 H CYS 38 -0.670 -2.319 -1.647 274 HA CYS 38 HA CYS 38 -1.490 -4.829 -2.329 275 HB2 CYS 38 1HB CYS 38 -2.351 -2.071 -2.980 276 HB3 CYS 38 2HB CYS 38 -2.878 -3.296 -4.117 277 HG CYS 38 HG CYS 38 -3.787 -2.592 -1.160 278 H GLN 39 H GLN 39 -0.445 -2.240 -4.677 279 HA GLN 39 HA GLN 39 -0.294 -3.736 -6.884 280 HB2 GLN 39 1HB GLN 39 0.523 -1.183 -6.128 281 HB3 GLN 39 2HB GLN 39 2.031 -1.925 -6.624 282 HG2 GLN 39 1HG GLN 39 0.257 -2.755 -8.622 283 HG3 GLN 39 2HG GLN 39 -0.301 -1.133 -8.265 284 HE21 GLN 39 1HE2 GLN 39 2.069 -3.072 -9.743 285 HE22 GLN 39 2HE2 GLN 39 3.142 -1.835 -10.309 286 H PHE 40 H PHE 40 2.281 -3.389 -4.361 287 HA PHE 40 HA PHE 40 4.222 -4.893 -5.624 288 HB2 PHE 40 1HB PHE 40 3.797 -3.538 -3.211 289 HB3 PHE 40 2HB PHE 40 3.847 -5.200 -2.657 290 HD1 PHE 40 1HD PHE 40 5.867 -6.170 -4.766 291 HD2 PHE 40 2HD PHE 40 5.809 -2.806 -2.180 292 HE1 PHE 40 1HE PHE 40 8.376 -6.105 -4.795 293 HE2 PHE 40 2HE PHE 40 8.318 -2.741 -2.209 294 HZ PHE 40 HZ PHE 40 9.572 -4.391 -3.516 295 H MET 41 H MET 41 1.563 -5.915 -3.387 296 HA MET 41 HA MET 41 2.315 -8.525 -3.114 297 HB2 MET 41 1HB MET 41 -0.187 -6.905 -2.895 298 HB3 MET 41 2HB MET 41 -0.480 -8.612 -3.162 299 HG2 MET 41 1HG MET 41 1.326 -7.497 -0.960 300 HG3 MET 41 2HG MET 41 -0.336 -7.996 -0.717 301 HE1 MET 41 1HE MET 41 -0.189 -11.125 0.450 302 HE2 MET 41 2HE MET 41 -1.138 -9.808 -0.280 303 HE3 MET 41 3HE MET 41 -0.816 -11.293 -1.207 304 H ASP 42 H ASP 42 -0.150 -7.215 -5.456 305 HA ASP 42 HA ASP 42 -0.752 -9.443 -6.769 306 HB2 ASP 42 1HB ASP 42 -1.782 -7.355 -7.389 307 HB3 ASP 42 2HB ASP 42 -0.242 -6.632 -7.812 308 H MET 43 H MET 43 2.192 -7.386 -7.144 309 HA MET 43 HA MET 43 3.190 -8.659 -9.400 310 HB2 MET 43 1HB MET 43 3.954 -6.596 -7.537 311 HB3 MET 43 2HB MET 43 5.305 -7.710 -7.619 312 HG2 MET 43 1HG MET 43 4.055 -6.941 -10.241 313 HG3 MET 43 2HG MET 43 4.947 -5.685 -9.407 314 HE1 MET 43 1HE MET 43 7.112 -6.146 -8.227 315 HE2 MET 43 2HE MET 43 7.306 -7.884 -7.892 316 HE3 MET 43 3HE MET 43 8.450 -7.053 -8.973 317 H LEU 44 H LEU 44 3.438 -9.374 -5.899 318 HA LEU 44 HA LEU 44 5.407 -11.428 -6.347 319 HB2 LEU 44 1HB LEU 44 3.883 -10.534 -3.898 320 HB3 LEU 44 2HB LEU 44 5.077 -11.817 -3.900 321 HG LEU 44 HG LEU 44 5.597 -8.915 -4.604 322 HD11 LEU 44 1HD1 LEU 44 5.764 -10.465 -2.081 323 HD12 LEU 44 2HD1 LEU 44 7.127 -9.378 -2.439 324 HD13 LEU 44 3HD1 LEU 44 5.471 -8.731 -2.355 325 HD21 LEU 44 1HD2 LEU 44 8.012 -10.265 -4.076 326 HD22 LEU 44 2HD2 LEU 44 7.098 -11.299 -5.199 327 HD23 LEU 44 3HD2 LEU 44 7.439 -9.606 -5.627 328 H PHE 45 H PHE 45 1.951 -11.269 -5.236 329 HA PHE 45 HA PHE 45 1.713 -14.041 -6.176 330 HB2 PHE 45 1HB PHE 45 0.226 -12.461 -3.992 331 HB3 PHE 45 2HB PHE 45 -0.126 -14.127 -4.408 332 HD1 PHE 45 2HD PHE 45 1.490 -15.911 -3.856 333 HD2 PHE 45 1HD PHE 45 2.118 -11.898 -2.628 334 HE1 PHE 45 2HE PHE 45 3.195 -16.689 -2.187 335 HE2 PHE 45 1HE PHE 45 3.823 -12.676 -0.958 336 HZ PHE 45 HZ PHE 45 4.341 -15.062 -0.758 337 HA PRO 46 HA PRO 46 -1.116 -12.062 -8.905 338 HB2 PRO 46 1HB PRO 46 -1.382 -14.144 -10.655 339 HB3 PRO 46 2HB PRO 46 -0.114 -12.941 -10.782 340 HG2 PRO 46 1HG PRO 46 0.070 -15.736 -9.838 341 HG3 PRO 46 2HG PRO 46 1.355 -14.671 -10.370 342 HD2 PRO 46 1HD PRO 46 0.714 -15.367 -7.662 343 HD3 PRO 46 2HD PRO 46 1.923 -14.213 -8.189 344 H GLY 47 H GLY 47 -3.042 -11.647 -8.012 345 HA2 GLY 47 1HA GLY 47 -5.296 -12.224 -7.906 346 HA3 GLY 47 2HA GLY 47 -4.883 -13.926 -7.972 347 H SER 48 H SER 48 -3.252 -11.534 -5.849 348 HA SER 48 HA SER 48 -4.273 -13.072 -3.605 349 HB2 SER 48 1HB SER 48 -2.349 -11.804 -2.384 350 HB3 SER 48 2HB SER 48 -1.924 -13.098 -3.487 351 HG SER 48 HG SER 48 -0.958 -10.678 -3.578 352 H ILE 49 H ILE 49 -3.973 -9.802 -5.029 353 HA ILE 49 HA ILE 49 -5.687 -8.803 -2.860 354 HB ILE 49 HB ILE 49 -4.182 -6.863 -4.488 355 HG12 ILE 49 1HG1 ILE 49 -2.551 -8.754 -4.214 356 HG13 ILE 49 2HG1 ILE 49 -2.047 -7.227 -3.518 357 HG21 ILE 49 1HG2 ILE 49 -5.136 -5.729 -2.800 358 HG22 ILE 49 2HG2 ILE 49 -5.264 -7.167 -1.759 359 HG23 ILE 49 3HG2 ILE 49 -3.722 -6.285 -1.873 360 HD11 ILE 49 1HD1 ILE 49 -1.905 -9.544 -2.146 361 HD12 ILE 49 2HD1 ILE 49 -2.223 -7.990 -1.338 362 HD13 ILE 49 3HD1 ILE 49 -3.572 -9.087 -1.720 363 H ALA 50 H ALA 50 -6.483 -6.402 -4.130 364 HA ALA 50 HA ALA 50 -7.870 -7.414 -6.513 365 HB1 ALA 50 1HB ALA 50 -8.984 -6.755 -3.957 366 HB2 ALA 50 2HB ALA 50 -9.497 -5.508 -5.119 367 HB3 ALA 50 3HB ALA 50 -9.836 -7.224 -5.447 368 H LEU 51 H LEU 51 -5.691 -6.241 -7.218 369 HA LEU 51 HA LEU 51 -5.242 -3.596 -7.007 370 HB2 LEU 51 1HB LEU 51 -4.425 -5.707 -8.663 371 HB3 LEU 51 2HB LEU 51 -4.923 -4.431 -9.756 372 HG LEU 51 HG LEU 51 -2.809 -4.273 -7.596 373 HD11 LEU 51 1HD1 LEU 51 -1.370 -3.675 -9.591 374 HD12 LEU 51 2HD1 LEU 51 -1.941 -5.359 -9.510 375 HD13 LEU 51 3HD1 LEU 51 -2.725 -4.206 -10.617 376 HD21 LEU 51 1HD2 LEU 51 -4.278 -2.112 -9.022 377 HD22 LEU 51 2HD2 LEU 51 -3.559 -2.139 -7.394 378 HD23 LEU 51 3HD2 LEU 51 -2.520 -1.920 -8.823 379 H LYS 52 H LYS 52 -7.933 -5.190 -8.652 380 HA LYS 52 HA LYS 52 -8.697 -2.707 -9.948 381 HB2 LYS 52 1HB LYS 52 -9.170 -5.536 -10.373 382 HB3 LYS 52 2HB LYS 52 -10.688 -4.663 -10.320 383 HG2 LYS 52 1HG LYS 52 -8.291 -3.876 -12.044 384 HG3 LYS 52 2HG LYS 52 -9.692 -4.752 -12.626 385 HD2 LYS 52 1HD LYS 52 -9.639 -1.912 -11.512 386 HD3 LYS 52 2HD LYS 52 -9.983 -2.388 -13.163 387 HE2 LYS 52 1HE LYS 52 -11.695 -2.976 -10.704 388 HE3 LYS 52 2HE LYS 52 -12.095 -1.892 -12.021 389 HZ1 LYS 52 1HZ LYS 52 -12.388 -4.693 -11.883 390 HZ2 LYS 52 2HZ LYS 52 -13.036 -3.640 -12.950 391 HZ3 LYS 52 3HZ LYS 52 -11.552 -4.266 -13.220 392 H LYS 53 H LYS 53 -8.545 -2.383 -7.193 393 HA LYS 53 HA LYS 53 -11.241 -1.647 -6.641 394 HB2 LYS 53 1HB LYS 53 -10.823 -4.215 -5.985 395 HB3 LYS 53 2HB LYS 53 -10.176 -3.474 -4.536 396 HG2 LYS 53 1HG LYS 53 -12.237 -2.474 -3.955 397 HG3 LYS 53 2HG LYS 53 -12.838 -2.507 -5.601 398 HD2 LYS 53 1HD LYS 53 -14.057 -4.253 -4.592 399 HD3 LYS 53 2HD LYS 53 -12.745 -5.118 -5.366 400 HE2 LYS 53 1HE LYS 53 -12.840 -6.019 -3.155 401 HE3 LYS 53 2HE LYS 53 -11.467 -4.930 -3.130 402 HZ1 LYS 53 1HZ LYS 53 -12.710 -3.327 -2.017 403 HZ2 LYS 53 2HZ LYS 53 -14.142 -4.045 -2.333 404 HZ3 LYS 53 3HZ LYS 53 -13.105 -4.725 -1.271 405 H VAL 54 H VAL 54 -7.901 -2.231 -5.397 406 HA VAL 54 HA VAL 54 -7.868 -0.491 -3.309 407 HB VAL 54 HB VAL 54 -6.045 -1.952 -3.830 408 HG11 VAL 54 1HG1 VAL 54 -4.622 -1.764 -5.735 409 HG12 VAL 54 2HG1 VAL 54 -6.296 -1.734 -6.340 410 HG13 VAL 54 3HG1 VAL 54 -5.364 -0.222 -6.224 411 HG21 VAL 54 1HG2 VAL 54 -4.145 -0.456 -3.503 412 HG22 VAL 54 2HG2 VAL 54 -5.113 0.930 -4.063 413 HG23 VAL 54 3HG2 VAL 54 -5.541 0.100 -2.547 414 H LYS 55 H LYS 55 -7.121 1.750 -3.077 415 HA LYS 55 HA LYS 55 -7.889 3.334 -5.427 416 HB2 LYS 55 1HB LYS 55 -8.386 3.654 -2.495 417 HB3 LYS 55 2HB LYS 55 -8.165 5.104 -3.453 418 HG2 LYS 55 1HG LYS 55 -10.006 2.989 -4.554 419 HG3 LYS 55 2HG LYS 55 -10.576 3.914 -3.179 420 HD2 LYS 55 1HD LYS 55 -10.244 6.028 -4.383 421 HD3 LYS 55 2HD LYS 55 -9.467 5.199 -5.717 422 HE2 LYS 55 1HE LYS 55 -11.631 3.897 -6.076 423 HE3 LYS 55 2HE LYS 55 -12.382 4.902 -4.853 424 HZ1 LYS 55 1HZ LYS 55 -12.785 6.276 -6.518 425 HZ2 LYS 55 2HZ LYS 55 -11.202 6.676 -6.503 426 HZ3 LYS 55 3HZ LYS 55 -11.747 5.538 -7.539 427 H PHE 56 H PHE 56 -5.992 3.727 -6.501 428 HA PHE 56 HA PHE 56 -3.597 4.240 -5.003 429 HB2 PHE 56 1HB PHE 56 -4.494 4.166 -7.930 430 HB3 PHE 56 2HB PHE 56 -2.884 4.726 -7.526 431 HD1 PHE 56 1HD PHE 56 -4.226 2.153 -5.382 432 HD2 PHE 56 2HD PHE 56 -2.076 2.853 -8.972 433 HE1 PHE 56 1HE PHE 56 -3.407 -0.219 -5.354 434 HE2 PHE 56 2HE PHE 56 -1.257 0.481 -8.944 435 HZ PHE 56 HZ PHE 56 -1.932 -1.027 -7.135 436 H GLN 57 H GLN 57 -6.076 6.084 -6.814 437 HA GLN 57 HA GLN 57 -4.503 8.481 -6.515 438 HB2 GLN 57 1HB GLN 57 -6.670 7.568 -8.257 439 HB3 GLN 57 2HB GLN 57 -7.038 9.143 -7.583 440 HG2 GLN 57 1HG GLN 57 -4.818 9.998 -8.345 441 HG3 GLN 57 2HG GLN 57 -4.427 8.420 -8.998 442 HE21 GLN 57 1HE2 GLN 57 -4.482 10.801 -10.470 443 HE22 GLN 57 2HE2 GLN 57 -5.720 10.711 -11.677 444 H ALA 58 H ALA 58 -5.552 7.038 -4.128 445 HA ALA 58 HA ALA 58 -7.814 8.502 -3.194 446 HB1 ALA 58 1HB ALA 58 -6.098 7.191 -1.191 447 HB2 ALA 58 2HB ALA 58 -7.811 6.913 -1.585 448 HB3 ALA 58 3HB ALA 58 -6.538 6.128 -2.549 449 H LYS 59 H LYS 59 -7.858 10.478 -2.231 450 HA LYS 59 HA LYS 59 -5.256 11.580 -1.428 451 HB2 LYS 59 1HB LYS 59 -5.930 12.902 -3.214 452 HB3 LYS 59 2HB LYS 59 -7.630 12.791 -2.808 453 HG2 LYS 59 1HG LYS 59 -7.532 14.567 -1.368 454 HG3 LYS 59 2HG LYS 59 -6.028 14.024 -0.649 455 HD2 LYS 59 1HD LYS 59 -5.077 15.786 -1.743 456 HD3 LYS 59 2HD LYS 59 -5.168 14.772 -3.170 457 HE2 LYS 59 1HE LYS 59 -7.719 16.159 -2.601 458 HE3 LYS 59 2HE LYS 59 -6.390 17.273 -2.854 459 HZ1 LYS 59 1HZ LYS 59 -6.387 16.788 -4.991 460 HZ2 LYS 59 2HZ LYS 59 -6.334 15.175 -4.737 461 HZ3 LYS 59 3HZ LYS 59 -7.772 15.949 -4.778 462 H LEU 60 H LEU 60 -8.648 10.935 -0.575 463 HA LEU 60 HA LEU 60 -8.468 12.410 1.878 464 HB2 LEU 60 1HB LEU 60 -10.583 10.385 1.247 465 HB3 LEU 60 2HB LEU 60 -10.696 11.853 2.197 466 HG LEU 60 HG LEU 60 -11.767 12.632 0.379 467 HD11 LEU 60 1HD1 LEU 60 -9.245 13.575 0.466 468 HD12 LEU 60 2HD1 LEU 60 -9.273 12.933 -1.194 469 HD13 LEU 60 3HD1 LEU 60 -10.475 14.145 -0.688 470 HD21 LEU 60 1HD2 LEU 60 -11.934 11.608 -1.679 471 HD22 LEU 60 2HD2 LEU 60 -10.250 11.033 -1.656 472 HD23 LEU 60 3HD2 LEU 60 -11.475 10.240 -0.637 473 H GLU 61 H GLU 61 -9.036 11.206 4.005 474 HA GLU 61 HA GLU 61 -7.046 9.173 4.259 475 HB2 GLU 61 1HB GLU 61 -8.118 11.168 5.934 476 HB3 GLU 61 2HB GLU 61 -8.680 9.669 6.647 477 HG2 GLU 61 1HG GLU 61 -6.604 9.791 7.670 478 HG3 GLU 61 2HG GLU 61 -6.140 8.906 6.230 479 H HIS 62 H HIS 62 -10.627 9.494 4.516 480 HA HIS 62 HA HIS 62 -11.216 7.031 5.540 481 HB2 HIS 62 1HB HIS 62 -13.408 7.304 4.495 482 HB3 HIS 62 2HB HIS 62 -12.860 8.787 5.249 483 HD1 HIS 62 1HD HIS 62 -12.654 10.858 3.780 484 HD2 HIS 62 2HD HIS 62 -13.285 7.341 1.583 485 HE1 HIS 62 1HE HIS 62 -13.099 11.587 1.375 486 H GLU 63 H GLU 63 -10.007 7.918 2.340 487 HA GLU 63 HA GLU 63 -10.801 5.514 1.103 488 HB2 GLU 63 1HB GLU 63 -8.521 7.333 0.234 489 HB3 GLU 63 2HB GLU 63 -9.484 6.274 -0.777 490 HG2 GLU 63 1HG GLU 63 -11.290 8.033 0.631 491 HG3 GLU 63 2HG GLU 63 -10.011 9.015 -0.054 492 H TYR 64 H TYR 64 -7.604 6.767 2.308 493 HA TYR 64 HA TYR 64 -5.947 4.761 1.773 494 HB2 TYR 64 1HB TYR 64 -6.438 6.086 4.514 495 HB3 TYR 64 2HB TYR 64 -4.914 5.377 4.018 496 HD1 TYR 64 1HD TYR 64 -5.810 6.701 1.054 497 HD2 TYR 64 2HD TYR 64 -4.816 8.065 4.986 498 HE1 TYR 64 1HE TYR 64 -5.079 8.942 0.100 499 HE2 TYR 64 2HE TYR 64 -4.089 10.301 4.019 500 HH TYR 64 HH TYR 64 -3.192 11.041 1.678 501 H ILE 65 H ILE 65 -8.323 4.750 4.511 502 HA ILE 65 HA ILE 65 -7.601 2.400 5.689 503 HB ILE 65 HB ILE 65 -10.258 3.755 5.319 504 HG12 ILE 65 1HG1 ILE 65 -9.714 3.823 7.961 505 HG13 ILE 65 2HG1 ILE 65 -8.076 3.758 7.342 506 HG21 ILE 65 1HG2 ILE 65 -10.678 2.082 7.428 507 HG22 ILE 65 2HG2 ILE 65 -11.236 1.786 5.765 508 HG23 ILE 65 3HG2 ILE 65 -9.725 1.043 6.341 509 HD11 ILE 65 1HD1 ILE 65 -9.647 6.054 7.539 510 HD12 ILE 65 2HD1 ILE 65 -8.171 5.892 6.558 511 HD13 ILE 65 3HD1 ILE 65 -9.767 5.630 5.815 512 H GLN 66 H GLN 66 -10.332 2.653 3.302 513 HA GLN 66 HA GLN 66 -10.751 0.071 2.887 514 HB2 GLN 66 1HB GLN 66 -10.725 2.344 0.865 515 HB3 GLN 66 2HB GLN 66 -11.317 0.745 0.457 516 HG2 GLN 66 1HG GLN 66 -12.622 1.242 2.865 517 HG3 GLN 66 2HG GLN 66 -12.562 2.841 2.151 518 HE21 GLN 66 1HE2 GLN 66 -14.960 2.165 2.355 519 HE22 GLN 66 2HE2 GLN 66 -15.694 1.518 0.925 520 H ASN 67 H ASN 67 -8.323 2.037 1.022 521 HA ASN 67 HA ASN 67 -7.342 0.245 -0.634 522 HB2 ASN 67 1HB ASN 67 -5.537 1.951 1.157 523 HB3 ASN 67 2HB ASN 67 -5.158 1.389 -0.460 524 HD21 ASN 67 1HD2 ASN 67 -4.780 3.665 -0.849 525 HD22 ASN 67 2HD2 ASN 67 -6.092 4.704 -1.296 526 H PHE 68 H PHE 68 -6.266 0.661 2.827 527 HA PHE 68 HA PHE 68 -4.530 -1.535 2.817 528 HB2 PHE 68 1HB PHE 68 -6.076 0.105 4.889 529 HB3 PHE 68 2HB PHE 68 -5.071 -1.231 5.414 530 HD1 PHE 68 1HD PHE 68 -2.595 -1.175 4.454 531 HD2 PHE 68 2HD PHE 68 -5.132 2.209 4.796 532 HE1 PHE 68 1HE PHE 68 -0.587 0.331 4.444 533 HE2 PHE 68 2HE PHE 68 -3.124 3.715 4.787 534 HZ PHE 68 HZ PHE 68 -0.875 2.758 4.611 535 H LYS 69 H LYS 69 -7.983 -1.146 3.822 536 HA LYS 69 HA LYS 69 -8.441 -3.508 5.038 537 HB2 LYS 69 1HB LYS 69 -10.252 -2.112 3.045 538 HB3 LYS 69 2HB LYS 69 -10.762 -3.311 4.217 539 HG2 LYS 69 1HG LYS 69 -9.487 -1.628 5.915 540 HG3 LYS 69 2HG LYS 69 -9.886 -0.467 4.664 541 HD2 LYS 69 1HD LYS 69 -12.028 -0.375 5.395 542 HD3 LYS 69 2HD LYS 69 -12.224 -2.091 5.102 543 HE2 LYS 69 1HE LYS 69 -12.158 -2.551 7.326 544 HE3 LYS 69 2HE LYS 69 -10.637 -1.701 7.514 545 HZ1 LYS 69 1HZ LYS 69 -13.263 -0.809 8.094 546 HZ2 LYS 69 2HZ LYS 69 -11.831 -0.229 8.622 547 HZ3 LYS 69 3HZ LYS 69 -12.440 0.276 7.193 548 H ILE 70 H ILE 70 -8.220 -2.909 1.485 549 HA ILE 70 HA ILE 70 -8.830 -5.581 0.802 550 HB ILE 70 HB ILE 70 -7.505 -3.327 -0.703 551 HG12 ILE 70 1HG1 ILE 70 -10.323 -4.435 -0.870 552 HG13 ILE 70 2HG1 ILE 70 -9.871 -2.994 0.019 553 HG21 ILE 70 1HG2 ILE 70 -7.035 -5.817 -1.421 554 HG22 ILE 70 2HG2 ILE 70 -8.683 -5.705 -2.085 555 HG23 ILE 70 3HG2 ILE 70 -7.426 -4.568 -2.627 556 HD11 ILE 70 1HD1 ILE 70 -10.706 -2.897 -2.545 557 HD12 ILE 70 2HD1 ILE 70 -9.521 -1.739 -1.896 558 HD13 ILE 70 3HD1 ILE 70 -8.968 -3.143 -2.841 559 H LEU 71 H LEU 71 -5.702 -3.729 0.873 560 HA LEU 71 HA LEU 71 -3.995 -5.697 0.197 561 HB2 LEU 71 1HB LEU 71 -3.368 -3.392 0.627 562 HB3 LEU 71 2HB LEU 71 -3.655 -3.599 2.343 563 HG LEU 71 HG LEU 71 -1.226 -3.701 1.307 564 HD11 LEU 71 1HD1 LEU 71 -0.631 -4.247 3.385 565 HD12 LEU 71 2HD1 LEU 71 -2.372 -4.391 3.725 566 HD13 LEU 71 3HD1 LEU 71 -1.428 -5.836 3.290 567 HD21 LEU 71 1HD2 LEU 71 -1.836 -6.648 1.275 568 HD22 LEU 71 2HD2 LEU 71 -2.015 -5.654 -0.191 569 HD23 LEU 71 3HD2 LEU 71 -0.433 -5.774 0.615 570 H GLN 72 H GLN 72 -5.342 -5.106 3.511 571 HA GLN 72 HA GLN 72 -4.006 -7.067 4.812 572 HB2 GLN 72 1HB GLN 72 -5.498 -5.403 5.888 573 HB3 GLN 72 2HB GLN 72 -6.904 -6.199 5.210 574 HG2 GLN 72 1HG GLN 72 -6.914 -7.287 7.239 575 HG3 GLN 72 2HG GLN 72 -5.775 -8.347 6.431 576 HE21 GLN 72 1HE2 GLN 72 -3.691 -8.425 7.041 577 HE22 GLN 72 2HE2 GLN 72 -3.000 -7.537 8.357 578 H ALA 73 H ALA 73 -7.008 -7.332 2.827 579 HA ALA 73 HA ALA 73 -7.600 -9.980 3.420 580 HB1 ALA 73 1HB ALA 73 -8.128 -9.095 0.649 581 HB2 ALA 73 2HB ALA 73 -9.259 -9.635 1.913 582 HB3 ALA 73 3HB ALA 73 -8.678 -7.953 1.898 583 H GLY 74 H GLY 74 -5.016 -8.531 1.538 584 HA2 GLY 74 1HA GLY 74 -4.477 -10.732 -0.172 585 HA3 GLY 74 2HA GLY 74 -3.406 -9.403 0.224 586 H PHE 75 H PHE 75 -3.790 -9.994 3.228 587 HA PHE 75 HA PHE 75 -1.653 -11.927 3.350 588 HB2 PHE 75 1HB PHE 75 -3.162 -10.044 5.230 589 HB3 PHE 75 2HB PHE 75 -2.096 -11.258 5.909 590 HD1 PHE 75 1HD PHE 75 -1.028 -10.014 2.719 591 HD2 PHE 75 2HD PHE 75 -0.921 -9.241 6.890 592 HE1 PHE 75 1HE PHE 75 0.931 -8.481 2.385 593 HE2 PHE 75 2HE PHE 75 1.038 -7.708 6.556 594 HZ PHE 75 HZ PHE 75 1.941 -7.347 4.307 595 H LYS 76 H LYS 76 -5.047 -11.543 4.557 596 HA LYS 76 HA LYS 76 -5.132 -13.929 5.983 597 HB2 LYS 76 1HB LYS 76 -7.265 -13.340 6.403 598 HB3 LYS 76 2HB LYS 76 -6.779 -11.814 5.691 599 HG2 LYS 76 1HG LYS 76 -7.541 -12.709 3.428 600 HG3 LYS 76 2HG LYS 76 -8.167 -14.123 4.253 601 HD2 LYS 76 1HD LYS 76 -9.141 -11.815 5.669 602 HD3 LYS 76 2HD LYS 76 -9.393 -11.516 3.961 603 HE2 LYS 76 1HE LYS 76 -10.271 -14.070 4.019 604 HE3 LYS 76 2HE LYS 76 -10.558 -13.682 5.703 605 HZ1 LYS 76 1HZ LYS 76 -12.203 -12.312 5.156 606 HZ2 LYS 76 2HZ LYS 76 -11.427 -11.665 3.872 607 HZ3 LYS 76 3HZ LYS 76 -12.219 -13.085 3.717 608 H ARG 77 H ARG 77 -5.465 -13.196 2.511 609 HA ARG 77 HA ARG 77 -6.589 -15.662 1.846 610 HB2 ARG 77 1HB ARG 77 -5.128 -13.486 0.310 611 HB3 ARG 77 2HB ARG 77 -5.530 -14.989 -0.498 612 HG2 ARG 77 1HG ARG 77 -7.939 -14.676 0.158 613 HG3 ARG 77 2HG ARG 77 -7.522 -13.150 0.913 614 HD2 ARG 77 1HD ARG 77 -6.606 -12.377 -1.350 615 HD3 ARG 77 2HD ARG 77 -7.255 -13.846 -2.050 616 HE ARG 77 HE ARG 77 -8.773 -11.498 -1.238 617 HH11 ARG 77 2HH2 ARG 77 -8.965 -14.987 -1.656 618 HH12 ARG 77 1HH2 ARG 77 -10.683 -14.993 -1.882 619 HH21 ARG 77 2HH1 ARG 77 -11.038 -11.506 -1.535 620 HH22 ARG 77 1HH1 ARG 77 -11.870 -13.000 -1.812 621 H MET 78 H MET 78 -3.208 -14.343 1.499 622 HA MET 78 HA MET 78 -2.142 -16.772 0.650 623 HB2 MET 78 1HB MET 78 -1.086 -14.150 1.751 624 HB3 MET 78 2HB MET 78 0.035 -15.492 1.633 625 HG2 MET 78 1HG MET 78 -1.650 -14.427 -0.687 626 HG3 MET 78 2HG MET 78 0.039 -14.041 -0.422 627 HE1 MET 78 1HE MET 78 -0.714 -16.729 -3.412 628 HE2 MET 78 2HE MET 78 -2.196 -16.423 -2.474 629 HE3 MET 78 3HE MET 78 -1.141 -15.067 -2.939 630 H GLY 79 H GLY 79 -1.458 -15.062 3.792 631 HA2 GLY 79 1HA GLY 79 -2.183 -16.732 5.686 632 HA3 GLY 79 2HA GLY 79 -0.854 -17.652 5.010 633 H VAL 80 H VAL 80 -1.308 -14.078 5.488 634 HA VAL 80 HA VAL 80 1.278 -14.076 6.861 635 HB VAL 80 HB VAL 80 -0.308 -12.017 5.344 636 HG11 VAL 80 1HG1 VAL 80 2.054 -11.539 7.189 637 HG12 VAL 80 2HG1 VAL 80 1.484 -10.377 5.967 638 HG13 VAL 80 3HG1 VAL 80 0.420 -10.843 7.316 639 HG21 VAL 80 1HG2 VAL 80 2.494 -13.148 5.062 640 HG22 VAL 80 2HG2 VAL 80 1.105 -13.426 3.984 641 HG23 VAL 80 3HG2 VAL 80 1.841 -11.809 4.088 642 H ASP 81 H ASP 81 1.186 -14.140 9.042 643 HA ASP 81 HA ASP 81 -1.258 -13.385 10.317 644 HB2 ASP 81 1HB ASP 81 0.277 -13.958 12.411 645 HB3 ASP 81 2HB ASP 81 -0.355 -15.239 11.395 646 H LYS 82 H LYS 82 -0.842 -11.029 9.456 647 HA LYS 82 HA LYS 82 0.666 -9.599 11.514 648 HB2 LYS 82 1HB LYS 82 2.224 -9.524 9.771 649 HB3 LYS 82 2HB LYS 82 0.995 -9.379 8.531 650 HG2 LYS 82 1HG LYS 82 1.922 -7.186 8.733 651 HG3 LYS 82 2HG LYS 82 0.382 -7.101 9.565 652 HD2 LYS 82 1HD LYS 82 1.368 -7.008 11.693 653 HD3 LYS 82 2HD LYS 82 2.809 -7.866 11.184 654 HE2 LYS 82 1HE LYS 82 3.280 -5.754 9.689 655 HE3 LYS 82 2HE LYS 82 2.088 -4.953 10.695 656 HZ1 LYS 82 1HZ LYS 82 4.308 -4.698 11.558 657 HZ2 LYS 82 2HZ LYS 82 3.392 -5.538 12.618 658 HZ3 LYS 82 3HZ LYS 82 4.493 -6.315 11.696 659 H ILE 83 H ILE 83 -0.648 -8.205 12.551 660 HA ILE 83 HA ILE 83 -3.201 -7.604 11.320 661 HB ILE 83 HB ILE 83 -2.115 -7.000 14.073 662 HG12 ILE 83 1HG1 ILE 83 -2.279 -9.411 13.628 663 HG13 ILE 83 2HG1 ILE 83 -3.430 -8.883 14.840 664 HG21 ILE 83 1HG2 ILE 83 -4.901 -7.036 14.146 665 HG22 ILE 83 2HG2 ILE 83 -3.842 -5.610 14.250 666 HG23 ILE 83 3HG2 ILE 83 -4.503 -6.115 12.676 667 HD11 ILE 83 1HD1 ILE 83 -5.199 -8.744 13.036 668 HD12 ILE 83 2HD1 ILE 83 -4.019 -9.437 11.897 669 HD13 ILE 83 3HD1 ILE 83 -4.570 -10.388 13.297 670 H ILE 84 H ILE 84 -2.743 -6.151 9.644 671 HA ILE 84 HA ILE 84 -0.964 -4.044 9.811 672 HB ILE 84 HB ILE 84 -3.488 -4.398 8.196 673 HG12 ILE 84 1HG1 ILE 84 -0.569 -4.873 7.524 674 HG13 ILE 84 2HG1 ILE 84 -1.767 -6.114 7.836 675 HG21 ILE 84 1HG2 ILE 84 -3.007 -2.538 6.929 676 HG22 ILE 84 2HG2 ILE 84 -2.550 -1.979 8.556 677 HG23 ILE 84 3HG2 ILE 84 -1.294 -2.511 7.412 678 HD11 ILE 84 1HD1 ILE 84 -2.995 -5.607 5.855 679 HD12 ILE 84 2HD1 ILE 84 -2.203 -4.024 5.672 680 HD13 ILE 84 3HD1 ILE 84 -1.288 -5.518 5.358 681 HA PRO 85 HA PRO 85 -2.957 -1.265 12.454 682 HB2 PRO 85 1HB PRO 85 -1.555 1.012 11.891 683 HB3 PRO 85 2HB PRO 85 -0.965 -0.234 12.974 684 HG2 PRO 85 1HG PRO 85 -0.120 0.369 10.206 685 HG3 PRO 85 2HG PRO 85 0.719 -0.560 11.432 686 HD2 PRO 85 1HD PRO 85 -0.724 -1.598 9.181 687 HD3 PRO 85 2HD PRO 85 0.016 -2.526 10.470 688 H VAL 86 H VAL 86 -2.317 0.290 9.339 689 HA VAL 86 HA VAL 86 -3.649 1.420 7.987 690 HB VAL 86 HB VAL 86 -5.868 -0.049 9.424 691 HG11 VAL 86 1HG1 VAL 86 -5.822 1.531 6.841 692 HG12 VAL 86 2HG1 VAL 86 -7.080 0.329 7.217 693 HG13 VAL 86 3HG1 VAL 86 -6.874 1.759 8.258 694 HG21 VAL 86 1HG2 VAL 86 -5.722 -1.470 7.265 695 HG22 VAL 86 2HG2 VAL 86 -4.095 -0.768 7.091 696 HG23 VAL 86 3HG2 VAL 86 -4.501 -1.727 8.535 697 H ASP 87 H ASP 87 -5.894 1.329 10.825 698 HA ASP 87 HA ASP 87 -6.690 3.857 10.738 699 HB2 ASP 87 1HB ASP 87 -6.879 1.774 12.557 700 HB3 ASP 87 2HB ASP 87 -6.005 2.966 13.498 701 H LYS 88 H LYS 88 -3.526 2.606 11.739 702 HA LYS 88 HA LYS 88 -2.743 5.105 12.966 703 HB2 LYS 88 1HB LYS 88 -0.889 2.802 12.415 704 HB3 LYS 88 2HB LYS 88 -0.844 3.977 13.714 705 HG2 LYS 88 1HG LYS 88 -3.006 2.994 14.609 706 HG3 LYS 88 2HG LYS 88 -2.917 1.760 13.367 707 HD2 LYS 88 1HD LYS 88 -1.911 0.704 15.226 708 HD3 LYS 88 2HD LYS 88 -0.529 1.254 14.299 709 HE2 LYS 88 1HE LYS 88 0.155 2.229 16.249 710 HE3 LYS 88 2HE LYS 88 -1.019 3.475 15.872 711 HZ1 LYS 88 1HZ LYS 88 -2.110 2.872 17.666 712 HZ2 LYS 88 2HZ LYS 88 -2.380 1.382 17.054 713 HZ3 LYS 88 3HZ LYS 88 -1.060 1.661 17.975 714 H LEU 89 H LEU 89 -2.156 3.189 9.976 715 HA LEU 89 HA LEU 89 -0.197 4.955 8.969 716 HB2 LEU 89 1HB LEU 89 -1.965 3.117 7.365 717 HB3 LEU 89 2HB LEU 89 -0.363 3.702 6.962 718 HG LEU 89 HG LEU 89 -0.916 1.887 9.321 719 HD11 LEU 89 1HD1 LEU 89 -1.612 0.715 7.324 720 HD12 LEU 89 2HD1 LEU 89 -0.089 1.137 6.504 721 HD13 LEU 89 3HD1 LEU 89 -0.070 0.043 7.907 722 HD21 LEU 89 1HD2 LEU 89 1.469 1.470 9.295 723 HD22 LEU 89 2HD2 LEU 89 1.669 2.521 7.872 724 HD23 LEU 89 3HD2 LEU 89 1.160 3.218 9.429 725 H VAL 90 H VAL 90 -3.713 4.494 8.168 726 HA VAL 90 HA VAL 90 -3.904 6.597 6.398 727 HB VAL 90 HB VAL 90 -6.260 6.439 6.733 728 HG11 VAL 90 1HG1 VAL 90 -6.188 4.481 5.672 729 HG12 VAL 90 2HG1 VAL 90 -4.581 4.146 6.361 730 HG13 VAL 90 3HG1 VAL 90 -6.047 3.645 7.237 731 HG21 VAL 90 1HG2 VAL 90 -6.824 4.687 8.764 732 HG22 VAL 90 2HG2 VAL 90 -5.487 5.631 9.463 733 HG23 VAL 90 3HG2 VAL 90 -6.950 6.459 8.878 734 H LYS 91 H LYS 91 -3.481 6.589 9.877 735 HA LYS 91 HA LYS 91 -4.492 9.265 10.195 736 HB2 LYS 91 1HB LYS 91 -3.314 7.168 11.991 737 HB3 LYS 91 2HB LYS 91 -3.343 8.835 12.530 738 HG2 LYS 91 1HG LYS 91 -5.813 7.397 11.461 739 HG3 LYS 91 2HG LYS 91 -5.392 7.429 13.161 740 HD2 LYS 91 1HD LYS 91 -5.394 10.094 11.811 741 HD3 LYS 91 2HD LYS 91 -6.962 9.320 11.922 742 HE2 LYS 91 1HE LYS 91 -6.616 9.008 14.394 743 HE3 LYS 91 2HE LYS 91 -5.069 9.823 14.270 744 HZ1 LYS 91 1HZ LYS 91 -6.202 11.776 13.500 745 HZ2 LYS 91 2HZ LYS 91 -7.649 11.021 13.532 746 HZ3 LYS 91 3HZ LYS 91 -6.846 11.306 14.925 747 H GLY 92 H GLY 92 -1.498 7.664 9.325 748 HA2 GLY 92 1HA GLY 92 0.490 8.503 8.692 749 HA3 GLY 92 2HA GLY 92 -0.237 10.096 8.653 750 H LYS 93 H LYS 93 1.173 7.618 10.871 751 HA LYS 93 HA LYS 93 1.810 9.809 12.718 752 HB2 LYS 93 1HB LYS 93 1.290 6.868 13.172 753 HB3 LYS 93 2HB LYS 93 2.112 7.857 14.362 754 HG2 LYS 93 1HG LYS 93 -0.192 9.340 13.506 755 HG3 LYS 93 2HG LYS 93 -0.729 7.696 13.792 756 HD2 LYS 93 1HD LYS 93 1.114 8.820 15.863 757 HD3 LYS 93 2HD LYS 93 -0.461 9.583 15.767 758 HE2 LYS 93 1HE LYS 93 -0.989 6.797 15.601 759 HE3 LYS 93 2HE LYS 93 0.251 6.947 16.830 760 HZ1 LYS 93 1HZ LYS 93 -2.362 7.407 17.204 761 HZ2 LYS 93 2HZ LYS 93 -1.171 7.928 18.193 762 HZ3 LYS 93 3HZ LYS 93 -1.781 8.926 17.053 763 H PHE 94 H PHE 94 3.078 8.137 10.165 764 HA PHE 94 HA PHE 94 5.122 7.766 9.432 765 HB2 PHE 94 1HB PHE 94 5.775 9.994 10.011 766 HB3 PHE 94 2HB PHE 94 5.494 9.730 11.720 767 HD1 PHE 94 1HD PHE 94 7.828 8.952 8.949 768 HD2 PHE 94 2HD PHE 94 7.260 9.110 13.152 769 HE1 PHE 94 1HE PHE 94 10.286 8.580 9.296 770 HE2 PHE 94 2HE PHE 94 9.718 8.738 13.498 771 HZ PHE 94 HZ PHE 94 11.201 8.477 11.566 772 H GLN 95 H GLN 95 5.667 7.908 13.029 773 HA GLN 95 HA GLN 95 7.502 5.902 13.093 774 HB2 GLN 95 1HB GLN 95 6.872 7.502 14.958 775 HB3 GLN 95 2HB GLN 95 5.461 6.513 15.274 776 HG2 GLN 95 1HG GLN 95 6.789 5.302 16.668 777 HG3 GLN 95 2HG GLN 95 7.504 4.616 15.222 778 HE21 GLN 95 1HE2 GLN 95 9.423 4.348 16.439 779 HE22 GLN 95 2HE2 GLN 95 10.533 5.654 16.689 780 H ASP 96 H ASP 96 3.955 5.732 12.899 781 HA ASP 96 HA ASP 96 4.020 2.903 13.424 782 HB2 ASP 96 1HB ASP 96 2.034 5.046 13.459 783 HB3 ASP 96 2HB ASP 96 1.446 3.707 12.493 784 H ASN 97 H ASN 97 5.064 4.605 10.917 785 HA ASN 97 HA ASN 97 3.655 2.989 8.940 786 HB2 ASN 97 1HB ASN 97 4.082 5.820 9.039 787 HB3 ASN 97 2HB ASN 97 5.150 5.224 7.783 788 HD21 ASN 97 1HD2 ASN 97 1.827 5.222 8.966 789 HD22 ASN 97 2HD2 ASN 97 1.036 4.968 7.445 790 H PHE 98 H PHE 98 6.753 4.456 10.077 791 HA PHE 98 HA PHE 98 8.338 3.179 8.093 792 HB2 PHE 98 1HB PHE 98 8.816 5.334 9.420 793 HB3 PHE 98 2HB PHE 98 9.015 4.352 10.857 794 HD1 PHE 98 2HD PHE 98 10.762 2.332 10.508 795 HD2 PHE 98 1HD PHE 98 10.732 5.963 8.312 796 HE1 PHE 98 2HE PHE 98 13.191 2.020 9.959 797 HE2 PHE 98 1HE PHE 98 13.162 5.651 7.764 798 HZ PHE 98 HZ PHE 98 14.362 3.683 8.594 799 H GLU 99 H GLU 99 7.168 2.375 11.357 800 HA GLU 99 HA GLU 99 9.042 0.228 11.603 801 HB2 GLU 99 1HB GLU 99 6.627 0.922 13.332 802 HB3 GLU 99 2HB GLU 99 7.904 -0.200 13.757 803 HG2 GLU 99 1HG GLU 99 9.577 1.665 13.623 804 HG3 GLU 99 2HG GLU 99 8.290 2.784 13.221 805 H PHE 100 H PHE 100 6.049 0.766 10.024 806 HA PHE 100 HA PHE 100 5.240 -2.022 10.273 807 HB2 PHE 100 1HB PHE 100 3.420 -0.455 10.501 808 HB3 PHE 100 2HB PHE 100 4.081 0.621 9.287 809 HD1 PHE 100 1HD PHE 100 3.887 0.014 6.871 810 HD2 PHE 100 2HD PHE 100 1.922 -2.204 9.907 811 HE1 PHE 100 1HE PHE 100 2.362 -0.991 5.149 812 HE2 PHE 100 2HE PHE 100 0.397 -3.210 8.186 813 HZ PHE 100 HZ PHE 100 0.635 -2.591 5.827 814 H VAL 101 H VAL 101 6.842 0.237 8.106 815 HA VAL 101 HA VAL 101 6.341 -1.376 5.769 816 HB VAL 101 HB VAL 101 6.467 1.090 5.718 817 HG11 VAL 101 1HG1 VAL 101 8.561 2.263 5.961 818 HG12 VAL 101 2HG1 VAL 101 8.273 1.310 7.436 819 HG13 VAL 101 3HG1 VAL 101 9.440 0.736 6.221 820 HG21 VAL 101 1HG2 VAL 101 8.055 1.228 3.751 821 HG22 VAL 101 2HG2 VAL 101 8.487 -0.467 4.081 822 HG23 VAL 101 3HG2 VAL 101 6.814 -0.044 3.647 823 H GLN 102 H GLN 102 9.201 -0.449 7.812 824 HA GLN 102 HA GLN 102 11.043 -1.970 6.528 825 HB2 GLN 102 1HB GLN 102 12.366 -1.827 8.563 826 HB3 GLN 102 2HB GLN 102 11.484 -0.325 8.370 827 HG2 GLN 102 1HG GLN 102 10.160 -0.698 10.221 828 HG3 GLN 102 2HG GLN 102 10.030 -2.419 9.916 829 HE21 GLN 102 1HE2 GLN 102 11.529 0.034 11.694 830 HE22 GLN 102 2HE2 GLN 102 12.716 -0.898 12.545 831 H TRP 103 H TRP 103 8.313 -3.005 8.442 832 HA TRP 103 HA TRP 103 9.452 -5.618 8.967 833 HB2 TRP 103 1HB TRP 103 8.160 -4.730 10.732 834 HB3 TRP 103 2HB TRP 103 6.849 -4.273 9.663 835 HD1 TRP 103 HD TRP 103 7.951 -7.108 11.855 836 HE1 TRP 103 1HE TRP 103 6.351 -9.201 11.702 837 HE3 TRP 103 3HE TRP 103 5.405 -5.522 7.749 838 HZ2 TRP 103 2HZ TRP 103 4.248 -9.942 9.921 839 HZ3 TRP 103 3HZ TRP 103 3.594 -6.989 6.867 840 HH2 TRP 103 HH TRP 103 3.001 -9.131 7.884 841 H PHE 104 H PHE 104 7.215 -3.901 6.771 842 HA PHE 104 HA PHE 104 6.092 -6.237 5.647 843 HB2 PHE 104 1HB PHE 104 5.998 -3.326 5.454 844 HB3 PHE 104 2HB PHE 104 6.190 -3.960 3.832 845 HD1 PHE 104 1HD PHE 104 4.032 -4.074 6.831 846 HD2 PHE 104 2HD PHE 104 4.383 -4.997 2.704 847 HE1 PHE 104 1HE PHE 104 1.573 -4.567 6.732 848 HE2 PHE 104 2HE PHE 104 1.924 -5.490 2.605 849 HZ PHE 104 HZ PHE 104 0.548 -5.269 4.620 850 H LYS 105 H LYS 105 8.988 -4.247 4.976 851 HA LYS 105 HA LYS 105 9.465 -5.438 2.434 852 HB2 LYS 105 1HB LYS 105 10.206 -3.151 3.100 853 HB3 LYS 105 2HB LYS 105 11.341 -3.868 4.225 854 HG2 LYS 105 1HG LYS 105 11.559 -5.083 1.553 855 HG3 LYS 105 2HG LYS 105 11.791 -3.347 1.490 856 HD2 LYS 105 1HD LYS 105 13.331 -3.863 3.658 857 HD3 LYS 105 2HD LYS 105 13.440 -5.436 2.894 858 HE2 LYS 105 1HE LYS 105 14.269 -4.419 0.803 859 HE3 LYS 105 2HE LYS 105 14.029 -2.808 1.451 860 HZ1 LYS 105 1HZ LYS 105 15.917 -4.825 2.445 861 HZ2 LYS 105 2HZ LYS 105 16.282 -3.408 1.720 862 HZ3 LYS 105 3HZ LYS 105 15.618 -3.414 3.212 863 H LYS 106 H LYS 106 10.825 -5.844 5.768 864 HA LYS 106 HA LYS 106 12.702 -7.756 5.163 865 HB2 LYS 106 1HB LYS 106 11.515 -6.607 7.489 866 HB3 LYS 106 2HB LYS 106 11.517 -8.345 7.705 867 HG2 LYS 106 1HG LYS 106 13.784 -8.423 7.930 868 HG3 LYS 106 2HG LYS 106 14.042 -7.415 6.519 869 HD2 LYS 106 1HD LYS 106 13.018 -6.143 9.069 870 HD3 LYS 106 2HD LYS 106 14.719 -6.543 8.942 871 HE2 LYS 106 1HE LYS 106 13.463 -5.069 6.631 872 HE3 LYS 106 2HE LYS 106 13.742 -4.168 8.108 873 HZ1 LYS 106 1HZ LYS 106 16.049 -4.955 8.022 874 HZ2 LYS 106 2HZ LYS 106 15.759 -5.652 6.574 875 HZ3 LYS 106 3HZ LYS 106 15.650 -4.031 6.736 876 H PHE 107 H PHE 107 9.225 -8.219 6.090 877 HA PHE 107 HA PHE 107 9.261 -10.987 5.921 878 HB2 PHE 107 1HB PHE 107 7.505 -9.064 6.684 879 HB3 PHE 107 2HB PHE 107 6.900 -9.267 5.052 880 HD1 PHE 107 1HD PHE 107 6.097 -11.559 4.337 881 HD2 PHE 107 2HD PHE 107 6.942 -10.599 8.383 882 HE1 PHE 107 1HE PHE 107 4.731 -13.526 5.089 883 HE2 PHE 107 2HE PHE 107 5.576 -12.565 9.135 884 HZ PHE 107 HZ PHE 107 4.487 -14.005 7.480 885 H PHE 108 H PHE 108 8.325 -8.500 3.444 886 HA PHE 108 HA PHE 108 7.528 -10.164 1.450 887 HB2 PHE 108 1HB PHE 108 8.790 -7.467 1.790 888 HB3 PHE 108 2HB PHE 108 9.027 -8.141 0.190 889 HD1 PHE 108 1HD PHE 108 6.138 -8.152 2.566 890 HD2 PHE 108 2HD PHE 108 7.571 -7.183 -1.309 891 HE1 PHE 108 1HE PHE 108 3.838 -7.393 1.906 892 HE2 PHE 108 2HE PHE 108 5.271 -6.424 -1.969 893 HZ PHE 108 HZ PHE 108 3.432 -6.538 -0.354 894 H ASP 109 H ASP 109 10.912 -9.066 2.169 895 HA ASP 109 HA ASP 109 12.127 -10.238 0.044 896 HB2 ASP 109 1HB ASP 109 12.914 -8.936 2.383 897 HB3 ASP 109 2HB ASP 109 13.608 -10.531 2.600 898 H SER 110 H SER 110 11.460 -11.572 3.364 899 HA SER 110 HA SER 110 11.338 -13.589 4.152 900 HB2 SER 110 1HB SER 110 9.587 -14.185 2.707 901 HB3 SER 110 2HB SER 110 10.588 -14.081 1.272 902 HG SER 110 HG SER 110 10.719 -16.139 3.309 903 H GLY 111 H GLY 111 13.115 -14.623 4.981 904 HA2 GLY 111 1HA GLY 111 15.442 -15.002 3.254 905 HA3 GLY 111 2HA GLY 111 15.385 -15.094 5.003 906 HA PRO 112 HA PRO 112 15.371 -19.409 4.208 907 HB2 PRO 112 1HB PRO 112 15.851 -20.230 6.770 908 HB3 PRO 112 2HB PRO 112 17.125 -19.783 5.653 909 HG2 PRO 112 1HG PRO 112 16.054 -18.259 7.948 910 HG3 PRO 112 2HG PRO 112 17.570 -18.042 7.097 911 HD2 PRO 112 1HD PRO 112 15.212 -16.431 6.837 912 HD3 PRO 112 2HD PRO 112 16.688 -16.286 5.904 913 H SER 113 H SER 113 14.289 -21.456 5.124 914 HA SER 113 HA SER 113 11.562 -20.828 5.129 915 HB2 SER 113 1HB SER 113 13.248 -23.208 5.044 916 HB3 SER 113 2HB SER 113 11.889 -23.473 6.118 917 HG SER 113 HG SER 113 11.935 -23.332 3.362 918 H SER 114 H SER 114 9.975 -21.294 6.867 919 HA SER 114 HA SER 114 10.760 -21.962 9.431 920 HB2 SER 114 1HB SER 114 10.337 -19.660 10.504 921 HB3 SER 114 2HB SER 114 11.884 -19.888 9.711 922 HG SER 114 HG SER 114 9.868 -18.093 9.128 923 H GLY 115 H GLY 115 8.576 -19.575 7.751 924 HA2 GLY 115 1HA GLY 115 6.342 -19.281 7.873 925 HA3 GLY 115 2HA GLY 115 6.283 -21.021 7.676 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 24.451 22.505 -9.958 2 HA2 GLY 1 1HA GLY 1 25.957 21.295 -7.993 3 HA3 GLY 1 2HA GLY 1 24.285 21.794 -7.832 4 H SER 2 H SER 2 22.685 20.185 -9.150 5 HA SER 2 HA SER 2 21.719 18.241 -9.111 6 HB2 SER 2 1HB SER 2 24.338 17.791 -10.230 7 HB3 SER 2 2HB SER 2 23.907 16.376 -9.290 8 HG SER 2 HG SER 2 23.113 16.877 -11.738 9 H SER 3 H SER 3 21.199 18.606 -6.791 10 HA SER 3 HA SER 3 22.175 16.417 -5.242 11 HB2 SER 3 1HB SER 3 23.716 18.543 -4.898 12 HB3 SER 3 2HB SER 3 22.383 19.135 -3.927 13 HG SER 3 HG SER 3 23.133 16.475 -3.376 14 H GLY 4 H GLY 4 20.065 15.613 -5.068 15 HA2 GLY 4 1HA GLY 4 17.746 17.121 -4.790 16 HA3 GLY 4 2HA GLY 4 17.953 15.445 -4.321 17 H SER 5 H SER 5 19.123 15.053 -2.149 18 HA SER 5 HA SER 5 19.369 17.090 -0.307 19 HB2 SER 5 1HB SER 5 16.938 17.334 -0.418 20 HB3 SER 5 2HB SER 5 16.706 15.612 -0.190 21 HG SER 5 HG SER 5 17.479 15.772 1.952 22 H SER 6 H SER 6 19.891 16.205 1.891 23 HA SER 6 HA SER 6 21.475 14.045 1.803 24 HB2 SER 6 1HB SER 6 20.703 15.852 3.736 25 HB3 SER 6 2HB SER 6 20.031 14.371 4.387 26 HG SER 6 HG SER 6 22.502 15.145 4.682 27 H GLY 7 H GLY 7 21.292 11.787 2.237 28 HA2 GLY 7 1HA GLY 7 18.563 10.742 1.963 29 HA3 GLY 7 2HA GLY 7 20.060 9.893 1.633 30 H GLN 8 H GLN 8 21.222 8.860 3.325 31 HA GLN 8 HA GLN 8 21.450 7.789 5.199 32 HB2 GLN 8 1HB GLN 8 20.936 10.525 5.953 33 HB3 GLN 8 2HB GLN 8 20.199 9.486 7.156 34 HG2 GLN 8 1HG GLN 8 22.887 8.554 6.347 35 HG3 GLN 8 2HG GLN 8 22.910 10.171 7.020 36 HE21 GLN 8 1HE2 GLN 8 23.968 7.706 8.104 37 HE22 GLN 8 2HE2 GLN 8 23.223 7.440 9.645 38 H ARG 9 H ARG 9 20.187 5.950 5.096 39 HA ARG 9 HA ARG 9 18.423 4.670 5.167 40 HB2 ARG 9 1HB ARG 9 18.888 5.818 7.738 41 HB3 ARG 9 2HB ARG 9 17.145 5.778 7.558 42 HG2 ARG 9 1HG ARG 9 18.527 3.297 6.655 43 HG3 ARG 9 2HG ARG 9 18.696 3.633 8.367 44 HD2 ARG 9 1HD ARG 9 16.000 4.148 7.990 45 HD3 ARG 9 2HD ARG 9 16.266 2.870 6.821 46 HE ARG 9 HE ARG 9 16.430 2.632 9.747 47 HH11 ARG 9 2HH2 ARG 9 17.290 1.182 6.658 48 HH12 ARG 9 1HH2 ARG 9 17.494 -0.407 7.316 49 HH21 ARG 9 2HH1 ARG 9 16.698 0.536 10.615 50 HH22 ARG 9 1HH1 ARG 9 17.155 -0.777 9.582 51 H ARG 10 H ARG 10 15.772 4.962 6.244 52 HA ARG 10 HA ARG 10 13.800 5.741 5.813 53 HB2 ARG 10 1HB ARG 10 15.435 8.161 5.728 54 HB3 ARG 10 2HB ARG 10 14.133 8.294 4.564 55 HG2 ARG 10 1HG ARG 10 13.273 7.173 7.175 56 HG3 ARG 10 2HG ARG 10 13.909 8.802 7.291 57 HD2 ARG 10 1HD ARG 10 11.860 8.086 5.158 58 HD3 ARG 10 2HD ARG 10 11.353 8.492 6.786 59 HE ARG 10 HE ARG 10 12.371 10.338 4.781 60 HH11 ARG 10 2HH2 ARG 10 12.134 9.779 8.247 61 HH12 ARG 10 1HH2 ARG 10 12.263 11.458 8.655 62 HH21 ARG 10 2HH1 ARG 10 12.542 12.552 5.319 63 HH22 ARG 10 1HH1 ARG 10 12.497 13.046 6.979 64 H HIS 11 H HIS 11 15.775 7.356 3.206 65 HA HIS 11 HA HIS 11 13.957 6.846 1.188 66 HB2 HIS 11 1HB HIS 11 15.827 8.507 1.168 67 HB3 HIS 11 2HB HIS 11 16.957 7.189 0.931 68 HD1 HIS 11 1HD HIS 11 17.716 7.351 -1.445 69 HD2 HIS 11 2HD HIS 11 13.573 7.887 -1.071 70 HE1 HIS 11 1HE HIS 11 16.804 7.557 -3.819 71 H ASP 12 H ASP 12 16.057 4.698 2.898 72 HA ASP 12 HA ASP 12 16.808 2.920 0.997 73 HB2 ASP 12 1HB ASP 12 17.311 2.907 3.507 74 HB3 ASP 12 2HB ASP 12 15.730 2.194 3.760 75 H MET 13 H MET 13 13.707 3.154 2.871 76 HA MET 13 HA MET 13 12.599 0.885 1.590 77 HB2 MET 13 1HB MET 13 11.146 3.125 3.095 78 HB3 MET 13 2HB MET 13 10.593 1.474 2.891 79 HG2 MET 13 1HG MET 13 13.005 2.401 4.521 80 HG3 MET 13 2HG MET 13 11.516 1.722 5.147 81 HE1 MET 13 1HE MET 13 11.325 -1.399 3.068 82 HE2 MET 13 2HE MET 13 11.367 -1.650 4.830 83 HE3 MET 13 3HE MET 13 10.522 -0.238 4.152 84 H LEU 14 H LEU 14 11.942 4.460 1.441 85 HA LEU 14 HA LEU 14 9.956 4.560 -0.347 86 HB2 LEU 14 1HB LEU 14 12.368 6.346 -0.586 87 HB3 LEU 14 2HB LEU 14 10.693 6.726 -0.935 88 HG LEU 14 HG LEU 14 12.074 6.494 1.722 89 HD11 LEU 14 1HD1 LEU 14 10.780 8.628 2.102 90 HD12 LEU 14 2HD1 LEU 14 12.025 8.693 0.832 91 HD13 LEU 14 3HD1 LEU 14 10.307 8.554 0.387 92 HD21 LEU 14 1HD2 LEU 14 9.253 5.771 1.133 93 HD22 LEU 14 2HD2 LEU 14 10.339 5.225 2.434 94 HD23 LEU 14 3HD2 LEU 14 9.542 6.812 2.548 95 H ALA 15 H ALA 15 13.446 4.011 -1.108 96 HA ALA 15 HA ALA 15 13.077 3.936 -3.891 97 HB1 ALA 15 1HB ALA 15 15.243 2.285 -2.721 98 HB2 ALA 15 2HB ALA 15 15.328 3.621 -3.895 99 HB3 ALA 15 3HB ALA 15 15.200 3.972 -2.154 100 H TRP 16 H TRP 16 13.164 1.366 -1.339 101 HA TRP 16 HA TRP 16 13.056 -0.870 -2.828 102 HB2 TRP 16 1HB TRP 16 13.074 -0.770 -0.372 103 HB3 TRP 16 2HB TRP 16 11.390 -0.283 -0.374 104 HD1 TRP 16 HD TRP 16 13.337 -3.316 -1.928 105 HE1 TRP 16 1HE TRP 16 11.986 -5.553 -1.562 106 HE3 TRP 16 3HE TRP 16 9.404 -1.165 0.473 107 HZ2 TRP 16 2HZ TRP 16 9.481 -6.159 -0.337 108 HZ3 TRP 16 3HZ TRP 16 7.547 -2.651 1.221 109 HH2 TRP 16 HH TRP 16 7.543 -5.067 0.851 110 H ILE 17 H ILE 17 10.067 0.855 -1.654 111 HA ILE 17 HA ILE 17 8.342 -0.501 -3.354 112 HB ILE 17 HB ILE 17 8.201 2.096 -1.854 113 HG12 ILE 17 1HG1 ILE 17 6.196 0.308 -1.055 114 HG13 ILE 17 2HG1 ILE 17 7.603 -0.701 -1.323 115 HG21 ILE 17 1HG2 ILE 17 5.692 1.971 -2.406 116 HG22 ILE 17 2HG2 ILE 17 6.794 2.633 -3.637 117 HG23 ILE 17 3HG2 ILE 17 6.187 0.967 -3.790 118 HD11 ILE 17 1HD1 ILE 17 8.970 0.818 0.117 119 HD12 ILE 17 2HD1 ILE 17 7.524 1.814 0.407 120 HD13 ILE 17 3HD1 ILE 17 7.582 0.135 0.997 121 H ASN 18 H ASN 18 9.588 2.903 -3.682 122 HA ASN 18 HA ASN 18 8.588 3.551 -6.028 123 HB2 ASN 18 1HB ASN 18 11.428 3.967 -4.985 124 HB3 ASN 18 2HB ASN 18 10.889 4.721 -6.472 125 HD21 ASN 18 1HD2 ASN 18 11.730 6.201 -4.330 126 HD22 ASN 18 2HD2 ASN 18 10.414 7.086 -3.635 127 H GLU 19 H GLU 19 12.039 2.408 -5.953 128 HA GLU 19 HA GLU 19 12.344 1.786 -8.505 129 HB2 GLU 19 1HB GLU 19 13.709 1.231 -6.106 130 HB3 GLU 19 2HB GLU 19 13.507 -0.343 -6.849 131 HG2 GLU 19 1HG GLU 19 14.271 1.611 -8.877 132 HG3 GLU 19 2HG GLU 19 15.405 1.671 -7.541 133 H SER 20 H SER 20 11.516 -0.816 -6.093 134 HA SER 20 HA SER 20 11.006 -2.830 -7.686 135 HB2 SER 20 1HB SER 20 9.272 -1.908 -5.354 136 HB3 SER 20 2HB SER 20 9.144 -3.499 -6.077 137 HG SER 20 HG SER 20 10.932 -2.611 -4.214 138 H LEU 21 H LEU 21 8.631 -0.170 -6.997 139 HA LEU 21 HA LEU 21 6.995 -1.173 -9.203 140 HB2 LEU 21 1HB LEU 21 6.376 0.816 -7.015 141 HB3 LEU 21 2HB LEU 21 5.270 0.329 -8.283 142 HG LEU 21 HG LEU 21 6.432 -1.504 -6.166 143 HD11 LEU 21 1HD1 LEU 21 3.578 -0.533 -6.418 144 HD12 LEU 21 2HD1 LEU 21 4.311 -1.466 -5.091 145 HD13 LEU 21 3HD1 LEU 21 4.792 0.227 -5.361 146 HD21 LEU 21 1HD2 LEU 21 5.322 -2.123 -8.699 147 HD22 LEU 21 2HD2 LEU 21 5.759 -3.233 -7.378 148 HD23 LEU 21 3HD2 LEU 21 4.112 -2.564 -7.470 149 H GLN 22 H GLN 22 6.139 1.988 -8.769 150 HA GLN 22 HA GLN 22 8.264 3.112 -10.336 151 HB2 GLN 22 1HB GLN 22 5.529 2.505 -11.442 152 HB3 GLN 22 2HB GLN 22 6.308 3.992 -11.947 153 HG2 GLN 22 1HG GLN 22 8.385 2.570 -12.510 154 HG3 GLN 22 2HG GLN 22 7.384 1.155 -12.255 155 HE21 GLN 22 1HE2 GLN 22 7.802 0.634 -14.450 156 HE22 GLN 22 2HE2 GLN 22 6.900 1.357 -15.740 157 H LEU 23 H LEU 23 7.705 3.739 -7.736 158 HA LEU 23 HA LEU 23 6.033 6.143 -7.890 159 HB2 LEU 23 1HB LEU 23 6.927 4.521 -5.503 160 HB3 LEU 23 2HB LEU 23 5.976 5.991 -5.428 161 HG LEU 23 HG LEU 23 4.438 4.240 -5.163 162 HD11 LEU 23 1HD1 LEU 23 3.822 6.019 -6.840 163 HD12 LEU 23 2HD1 LEU 23 4.230 4.849 -8.118 164 HD13 LEU 23 3HD1 LEU 23 2.918 4.491 -6.969 165 HD21 LEU 23 1HD2 LEU 23 5.045 2.179 -5.730 166 HD22 LEU 23 2HD2 LEU 23 4.548 2.565 -7.395 167 HD23 LEU 23 3HD2 LEU 23 6.244 2.781 -6.899 168 H ASN 24 H ASN 24 7.148 7.452 -5.606 169 HA ASN 24 HA ASN 24 9.936 7.649 -5.924 170 HB2 ASN 24 1HB ASN 24 8.937 8.930 -7.973 171 HB3 ASN 24 2HB ASN 24 8.364 10.113 -6.813 172 HD21 ASN 24 1HD2 ASN 24 10.747 9.446 -8.908 173 HD22 ASN 24 2HD2 ASN 24 12.079 10.320 -8.228 174 H LEU 25 H LEU 25 8.022 7.208 -3.787 175 HA LEU 25 HA LEU 25 7.192 9.428 -2.412 176 HB2 LEU 25 1HB LEU 25 8.252 6.899 -1.156 177 HB3 LEU 25 2HB LEU 25 7.076 8.014 -0.489 178 HG LEU 25 HG LEU 25 6.712 6.100 -2.800 179 HD11 LEU 25 1HD1 LEU 25 4.738 5.417 -1.301 180 HD12 LEU 25 2HD1 LEU 25 6.379 4.944 -0.799 181 HD13 LEU 25 3HD1 LEU 25 5.574 6.326 -0.019 182 HD21 LEU 25 1HD2 LEU 25 5.183 8.565 -2.118 183 HD22 LEU 25 2HD2 LEU 25 5.486 7.794 -3.694 184 HD23 LEU 25 3HD2 LEU 25 4.261 7.118 -2.592 185 H THR 26 H THR 26 8.082 10.709 -0.705 186 HA THR 26 HA THR 26 11.030 10.703 -0.703 187 HB THR 26 HB THR 26 10.808 13.174 -0.402 188 HG1 THR 26 1HG THR 26 7.982 12.622 -0.905 189 HG21 THR 26 1HG2 THR 26 9.136 12.018 -2.692 190 HG22 THR 26 2HG2 THR 26 9.575 13.738 -2.564 191 HG23 THR 26 3HG2 THR 26 10.846 12.508 -2.763 192 H LYS 27 H LYS 27 8.103 10.365 1.136 193 HA LYS 27 HA LYS 27 9.755 10.345 3.557 194 HB2 LYS 27 1HB LYS 27 7.065 11.679 3.182 195 HB3 LYS 27 2HB LYS 27 7.701 11.254 4.759 196 HG2 LYS 27 1HG LYS 27 9.872 12.540 3.543 197 HG3 LYS 27 2HG LYS 27 8.499 13.447 2.940 198 HD2 LYS 27 1HD LYS 27 7.672 13.720 5.305 199 HD3 LYS 27 2HD LYS 27 9.090 12.867 5.882 200 HE2 LYS 27 1HE LYS 27 10.493 14.662 5.518 201 HE3 LYS 27 2HE LYS 27 9.680 15.137 4.040 202 HZ1 LYS 27 1HZ LYS 27 7.969 16.140 5.294 203 HZ2 LYS 27 2HZ LYS 27 8.516 15.529 6.706 204 HZ3 LYS 27 3HZ LYS 27 9.380 16.672 5.922 205 H ILE 28 H ILE 28 9.071 8.808 5.176 206 HA ILE 28 HA ILE 28 8.056 6.439 4.018 207 HB ILE 28 HB ILE 28 9.005 7.322 6.699 208 HG12 ILE 28 1HG1 ILE 28 10.471 6.461 4.801 209 HG13 ILE 28 2HG1 ILE 28 10.687 5.724 6.376 210 HG21 ILE 28 1HG2 ILE 28 7.250 6.129 7.581 211 HG22 ILE 28 2HG2 ILE 28 7.164 5.011 6.198 212 HG23 ILE 28 3HG2 ILE 28 8.472 4.849 7.394 213 HD11 ILE 28 1HD1 ILE 28 8.996 3.919 5.596 214 HD12 ILE 28 2HD1 ILE 28 9.235 4.583 3.961 215 HD13 ILE 28 3HD1 ILE 28 10.613 3.891 4.851 216 H GLU 29 H GLU 29 6.588 9.267 5.383 217 HA GLU 29 HA GLU 29 4.267 7.932 6.317 218 HB2 GLU 29 1HB GLU 29 5.367 10.623 6.354 219 HB3 GLU 29 2HB GLU 29 3.690 10.684 5.850 220 HG2 GLU 29 1HG GLU 29 3.273 9.041 7.877 221 HG3 GLU 29 2HG GLU 29 4.841 9.589 8.435 222 H GLN 30 H GLN 30 5.497 8.541 3.235 223 HA GLN 30 HA GLN 30 3.170 9.399 1.935 224 HB2 GLN 30 1HB GLN 30 5.782 8.154 1.054 225 HB3 GLN 30 2HB GLN 30 4.484 8.345 -0.107 226 HG2 GLN 30 1HG GLN 30 5.148 10.729 1.605 227 HG3 GLN 30 2HG GLN 30 6.308 10.291 0.366 228 HE21 GLN 30 1HE2 GLN 30 5.831 12.261 -0.671 229 HE22 GLN 30 2HE2 GLN 30 4.426 12.460 -1.664 230 H LEU 31 H LEU 31 3.882 6.497 3.520 231 HA LEU 31 HA LEU 31 2.324 4.870 1.670 232 HB2 LEU 31 1HB LEU 31 3.503 3.831 4.206 233 HB3 LEU 31 2HB LEU 31 3.227 3.015 2.680 234 HG LEU 31 HG LEU 31 5.182 5.201 2.487 235 HD11 LEU 31 1HD1 LEU 31 5.392 3.969 4.867 236 HD12 LEU 31 2HD1 LEU 31 6.328 2.835 3.864 237 HD13 LEU 31 3HD1 LEU 31 6.792 4.552 3.936 238 HD21 LEU 31 1HD2 LEU 31 5.873 2.389 1.838 239 HD22 LEU 31 2HD2 LEU 31 4.511 3.105 0.943 240 HD23 LEU 31 3HD2 LEU 31 6.111 3.884 0.902 241 H CYS 32 H CYS 32 1.116 7.138 3.133 242 HA CYS 32 HA CYS 32 -0.464 5.782 5.153 243 HB2 CYS 32 1HB CYS 32 -1.394 8.066 5.579 244 HB3 CYS 32 2HB CYS 32 0.336 7.936 5.826 245 HG CYS 32 HG CYS 32 -0.359 8.472 2.764 246 H SER 33 H SER 33 -0.673 4.916 2.369 247 HA SER 33 HA SER 33 -3.382 5.853 1.824 248 HB2 SER 33 1HB SER 33 -2.749 5.080 -0.619 249 HB3 SER 33 2HB SER 33 -2.246 6.658 -0.045 250 HG SER 33 HG SER 33 -0.407 5.743 -0.931 251 H GLY 34 H GLY 34 -1.101 3.149 0.931 252 HA2 GLY 34 1HA GLY 34 -1.439 0.935 1.707 253 HA3 GLY 34 2HA GLY 34 -3.162 1.235 1.814 254 H ALA 35 H ALA 35 -0.838 2.015 -0.859 255 HA ALA 35 HA ALA 35 -2.438 0.236 -2.571 256 HB1 ALA 35 1HB ALA 35 -2.263 2.995 -2.738 257 HB2 ALA 35 2HB ALA 35 -1.020 2.456 -3.893 258 HB3 ALA 35 3HB ALA 35 -2.702 1.905 -4.076 259 H ALA 36 H ALA 36 0.774 1.889 -2.171 260 HA ALA 36 HA ALA 36 2.278 0.582 -3.949 261 HB1 ALA 36 1HB ALA 36 3.743 1.849 -2.808 262 HB2 ALA 36 2HB ALA 36 2.665 1.906 -1.393 263 HB3 ALA 36 3HB ALA 36 3.818 0.564 -1.579 264 H TYR 37 H TYR 37 1.476 -0.676 -0.634 265 HA TYR 37 HA TYR 37 2.786 -3.084 -0.837 266 HB2 TYR 37 1HB TYR 37 0.020 -2.489 0.382 267 HB3 TYR 37 2HB TYR 37 1.142 -3.710 0.949 268 HD1 TYR 37 1HD TYR 37 3.507 -2.805 1.729 269 HD2 TYR 37 2HD TYR 37 -0.030 -0.414 1.444 270 HE1 TYR 37 1HE TYR 37 4.502 -1.125 3.358 271 HE2 TYR 37 2HE TYR 37 0.977 1.257 3.074 272 HH TYR 37 HH TYR 37 3.692 0.544 4.938 273 H CYS 38 H CYS 38 -0.740 -2.464 -1.504 274 HA CYS 38 HA CYS 38 -1.486 -4.907 -2.296 275 HB2 CYS 38 1HB CYS 38 -2.327 -2.157 -3.038 276 HB3 CYS 38 2HB CYS 38 -2.845 -3.427 -4.128 277 HG CYS 38 HG CYS 38 -3.680 -2.662 -1.128 278 H GLN 39 H GLN 39 -0.009 -2.345 -4.424 279 HA GLN 39 HA GLN 39 0.069 -3.727 -6.734 280 HB2 GLN 39 1HB GLN 39 1.174 -1.346 -5.731 281 HB3 GLN 39 2HB GLN 39 2.570 -2.246 -6.289 282 HG2 GLN 39 1HG GLN 39 0.782 -2.670 -8.366 283 HG3 GLN 39 2HG GLN 39 0.339 -1.053 -7.855 284 HE21 GLN 39 1HE2 GLN 39 2.588 -3.012 -9.490 285 HE22 GLN 39 2HE2 GLN 39 3.761 -1.811 -9.916 286 H PHE 40 H PHE 40 2.757 -3.605 -4.277 287 HA PHE 40 HA PHE 40 4.480 -5.332 -5.441 288 HB2 PHE 40 1HB PHE 40 3.852 -4.208 -2.835 289 HB3 PHE 40 2HB PHE 40 4.213 -5.904 -2.585 290 HD1 PHE 40 1HD PHE 40 6.348 -6.536 -4.365 291 HD2 PHE 40 2HD PHE 40 5.664 -2.914 -2.263 292 HE1 PHE 40 1HE PHE 40 8.804 -6.025 -4.447 293 HE2 PHE 40 2HE PHE 40 8.121 -2.403 -2.345 294 HZ PHE 40 HZ PHE 40 9.661 -3.965 -3.436 295 H MET 41 H MET 41 1.685 -6.185 -3.293 296 HA MET 41 HA MET 41 2.156 -8.874 -3.186 297 HB2 MET 41 1HB MET 41 -0.249 -7.059 -2.971 298 HB3 MET 41 2HB MET 41 -0.579 -8.774 -3.116 299 HG2 MET 41 1HG MET 41 1.270 -7.531 -1.020 300 HG3 MET 41 2HG MET 41 -0.386 -8.021 -0.723 301 HE1 MET 41 1HE MET 41 -0.299 -11.352 0.310 302 HE2 MET 41 2HE MET 41 -1.170 -9.870 -0.152 303 HE3 MET 41 3HE MET 41 -0.945 -11.178 -1.339 304 H ASP 42 H ASP 42 -0.183 -7.176 -5.407 305 HA ASP 42 HA ASP 42 -0.938 -9.300 -6.860 306 HB2 ASP 42 1HB ASP 42 -1.313 -6.594 -7.016 307 HB3 ASP 42 2HB ASP 42 -0.292 -6.823 -8.422 308 H MET 43 H MET 43 2.116 -7.441 -6.973 309 HA MET 43 HA MET 43 2.983 -8.472 -9.439 310 HB2 MET 43 1HB MET 43 3.855 -6.594 -7.433 311 HB3 MET 43 2HB MET 43 5.171 -7.732 -7.646 312 HG2 MET 43 1HG MET 43 3.889 -6.741 -10.169 313 HG3 MET 43 2HG MET 43 4.790 -5.549 -9.255 314 HE1 MET 43 1HE MET 43 8.305 -6.948 -8.976 315 HE2 MET 43 2HE MET 43 6.989 -6.065 -8.166 316 HE3 MET 43 3HE MET 43 7.161 -7.820 -7.928 317 H LEU 44 H LEU 44 3.019 -9.643 -6.109 318 HA LEU 44 HA LEU 44 4.970 -11.697 -6.802 319 HB2 LEU 44 1HB LEU 44 3.743 -10.814 -4.191 320 HB3 LEU 44 2HB LEU 44 4.761 -12.232 -4.346 321 HG LEU 44 HG LEU 44 5.641 -9.425 -5.072 322 HD11 LEU 44 1HD1 LEU 44 6.559 -10.890 -2.613 323 HD12 LEU 44 2HD1 LEU 44 6.603 -9.149 -2.984 324 HD13 LEU 44 3HD1 LEU 44 5.056 -9.936 -2.593 325 HD21 LEU 44 1HD2 LEU 44 7.684 -11.417 -4.418 326 HD22 LEU 44 2HD2 LEU 44 6.722 -11.835 -5.856 327 HD23 LEU 44 3HD2 LEU 44 7.579 -10.277 -5.781 328 H PHE 45 H PHE 45 1.692 -11.448 -5.244 329 HA PHE 45 HA PHE 45 1.144 -14.090 -6.404 330 HB2 PHE 45 1HB PHE 45 -0.140 -12.661 -4.003 331 HB3 PHE 45 2HB PHE 45 -0.374 -14.341 -4.443 332 HD1 PHE 45 1HD PHE 45 1.431 -15.983 -4.074 333 HD2 PHE 45 2HD PHE 45 1.805 -11.958 -2.783 334 HE1 PHE 45 1HE PHE 45 3.331 -16.641 -2.571 335 HE2 PHE 45 2HE PHE 45 3.705 -12.616 -1.281 336 HZ PHE 45 HZ PHE 45 4.445 -14.949 -1.193 337 HA PRO 46 HA PRO 46 -1.802 -11.674 -8.620 338 HB2 PRO 46 1HB PRO 46 -2.326 -13.521 -10.565 339 HB3 PRO 46 2HB PRO 46 -1.021 -12.356 -10.675 340 HG2 PRO 46 1HG PRO 46 -0.878 -15.249 -10.083 341 HG3 PRO 46 2HG PRO 46 0.400 -14.172 -10.611 342 HD2 PRO 46 1HD PRO 46 -0.019 -15.164 -7.953 343 HD3 PRO 46 2HD PRO 46 1.187 -13.998 -8.458 344 H GLY 47 H GLY 47 -3.762 -11.266 -7.838 345 HA2 GLY 47 1HA GLY 47 -6.019 -11.966 -7.739 346 HA3 GLY 47 2HA GLY 47 -5.498 -13.625 -7.520 347 H SER 48 H SER 48 -3.275 -12.573 -5.602 348 HA SER 48 HA SER 48 -4.537 -13.164 -3.271 349 HB2 SER 48 1HB SER 48 -2.550 -12.244 -2.149 350 HB3 SER 48 2HB SER 48 -2.080 -13.141 -3.579 351 HG SER 48 HG SER 48 -1.718 -11.203 -4.709 352 H ILE 49 H ILE 49 -4.116 -10.005 -4.926 353 HA ILE 49 HA ILE 49 -5.793 -8.803 -2.833 354 HB ILE 49 HB ILE 49 -4.199 -7.030 -4.562 355 HG12 ILE 49 1HG1 ILE 49 -2.658 -8.980 -4.162 356 HG13 ILE 49 2HG1 ILE 49 -2.083 -7.432 -3.576 357 HG21 ILE 49 1HG2 ILE 49 -5.295 -7.130 -1.822 358 HG22 ILE 49 2HG2 ILE 49 -3.720 -6.317 -1.986 359 HG23 ILE 49 3HG2 ILE 49 -5.112 -5.762 -2.946 360 HD11 ILE 49 1HD1 ILE 49 -2.304 -8.025 -1.344 361 HD12 ILE 49 2HD1 ILE 49 -3.682 -9.106 -1.658 362 HD13 ILE 49 3HD1 ILE 49 -2.027 -9.639 -2.040 363 H ALA 50 H ALA 50 -6.423 -6.433 -4.297 364 HA ALA 50 HA ALA 50 -7.799 -7.494 -6.655 365 HB1 ALA 50 1HB ALA 50 -9.446 -5.576 -5.242 366 HB2 ALA 50 2HB ALA 50 -9.825 -7.249 -5.716 367 HB3 ALA 50 3HB ALA 50 -9.021 -6.925 -4.161 368 H LEU 51 H LEU 51 -5.659 -6.326 -7.371 369 HA LEU 51 HA LEU 51 -5.212 -3.671 -7.132 370 HB2 LEU 51 1HB LEU 51 -4.461 -5.796 -8.895 371 HB3 LEU 51 2HB LEU 51 -4.751 -4.355 -9.848 372 HG LEU 51 HG LEU 51 -2.779 -4.706 -7.583 373 HD11 LEU 51 1HD1 LEU 51 -1.846 -5.552 -9.558 374 HD12 LEU 51 2HD1 LEU 51 -2.539 -4.251 -10.555 375 HD13 LEU 51 3HD1 LEU 51 -1.204 -3.897 -9.433 376 HD21 LEU 51 1HD2 LEU 51 -2.405 -2.166 -8.728 377 HD22 LEU 51 2HD2 LEU 51 -4.147 -2.296 -8.388 378 HD23 LEU 51 3HD2 LEU 51 -2.964 -2.552 -7.083 379 H LYS 52 H LYS 52 -7.876 -5.278 -8.789 380 HA LYS 52 HA LYS 52 -8.615 -2.820 -10.146 381 HB2 LYS 52 1HB LYS 52 -9.118 -5.663 -10.498 382 HB3 LYS 52 2HB LYS 52 -10.615 -4.752 -10.518 383 HG2 LYS 52 1HG LYS 52 -8.300 -3.615 -12.070 384 HG3 LYS 52 2HG LYS 52 -9.067 -5.050 -12.720 385 HD2 LYS 52 1HD LYS 52 -10.244 -3.203 -13.696 386 HD3 LYS 52 2HD LYS 52 -11.317 -3.839 -12.466 387 HE2 LYS 52 1HE LYS 52 -10.734 -2.068 -10.909 388 HE3 LYS 52 2HE LYS 52 -9.392 -1.542 -11.905 389 HZ1 LYS 52 1HZ LYS 52 -11.340 -0.164 -12.189 390 HZ2 LYS 52 2HZ LYS 52 -10.951 -0.897 -13.596 391 HZ3 LYS 52 3HZ LYS 52 -12.215 -1.438 -12.715 392 H LYS 53 H LYS 53 -8.486 -2.494 -7.367 393 HA LYS 53 HA LYS 53 -11.171 -1.687 -6.869 394 HB2 LYS 53 1HB LYS 53 -10.854 -4.261 -6.212 395 HB3 LYS 53 2HB LYS 53 -10.187 -3.553 -4.755 396 HG2 LYS 53 1HG LYS 53 -12.225 -2.329 -4.297 397 HG3 LYS 53 2HG LYS 53 -12.865 -2.654 -5.896 398 HD2 LYS 53 1HD LYS 53 -14.009 -4.251 -4.616 399 HD3 LYS 53 2HD LYS 53 -12.653 -5.194 -5.201 400 HE2 LYS 53 1HE LYS 53 -12.663 -5.687 -2.891 401 HE3 LYS 53 2HE LYS 53 -11.434 -4.444 -3.007 402 HZ1 LYS 53 1HZ LYS 53 -14.224 -4.079 -2.176 403 HZ2 LYS 53 2HZ LYS 53 -12.886 -3.884 -1.262 404 HZ3 LYS 53 3HZ LYS 53 -13.210 -2.833 -2.470 405 H VAL 54 H VAL 54 -7.864 -2.346 -5.584 406 HA VAL 54 HA VAL 54 -7.833 -0.606 -3.488 407 HB VAL 54 HB VAL 54 -6.043 -2.128 -3.974 408 HG11 VAL 54 1HG1 VAL 54 -5.195 -0.404 -6.313 409 HG12 VAL 54 2HG1 VAL 54 -4.598 -2.014 -5.845 410 HG13 VAL 54 3HG1 VAL 54 -6.241 -1.832 -6.504 411 HG21 VAL 54 1HG2 VAL 54 -4.080 -0.620 -3.699 412 HG22 VAL 54 2HG2 VAL 54 -5.131 0.766 -4.079 413 HG23 VAL 54 3HG2 VAL 54 -5.438 -0.212 -2.624 414 H LYS 55 H LYS 55 -7.342 1.618 -3.190 415 HA LYS 55 HA LYS 55 -7.883 3.206 -5.590 416 HB2 LYS 55 1HB LYS 55 -8.439 3.591 -2.663 417 HB3 LYS 55 2HB LYS 55 -8.281 4.993 -3.701 418 HG2 LYS 55 1HG LYS 55 -10.062 2.694 -4.558 419 HG3 LYS 55 2HG LYS 55 -10.650 3.847 -3.376 420 HD2 LYS 55 1HD LYS 55 -9.999 5.708 -5.028 421 HD3 LYS 55 2HD LYS 55 -9.704 4.451 -6.213 422 HE2 LYS 55 1HE LYS 55 -11.922 4.288 -6.669 423 HE3 LYS 55 2HE LYS 55 -12.287 3.969 -4.986 424 HZ1 LYS 55 1HZ LYS 55 -11.920 6.635 -6.166 425 HZ2 LYS 55 2HZ LYS 55 -13.347 5.967 -5.738 426 HZ3 LYS 55 3HZ LYS 55 -12.246 6.343 -4.593 427 H PHE 56 H PHE 56 -5.857 3.389 -6.547 428 HA PHE 56 HA PHE 56 -3.549 3.921 -4.977 429 HB2 PHE 56 1HB PHE 56 -4.379 3.857 -7.913 430 HB3 PHE 56 2HB PHE 56 -2.807 4.518 -7.507 431 HD1 PHE 56 2HD PHE 56 -4.242 1.769 -5.557 432 HD2 PHE 56 1HD PHE 56 -1.632 2.800 -8.739 433 HE1 PHE 56 2HE PHE 56 -3.278 -0.548 -5.516 434 HE2 PHE 56 1HE PHE 56 -0.667 0.483 -8.699 435 HZ PHE 56 HZ PHE 56 -1.502 -1.163 -7.087 436 H GLN 57 H GLN 57 -5.829 5.871 -6.972 437 HA GLN 57 HA GLN 57 -4.256 8.222 -6.427 438 HB2 GLN 57 1HB GLN 57 -6.521 7.512 -8.263 439 HB3 GLN 57 2HB GLN 57 -6.403 9.188 -7.768 440 HG2 GLN 57 1HG GLN 57 -3.807 7.976 -8.574 441 HG3 GLN 57 2HG GLN 57 -4.990 8.052 -9.864 442 HE21 GLN 57 1HE2 GLN 57 -3.261 9.514 -10.681 443 HE22 GLN 57 2HE2 GLN 57 -3.365 11.203 -10.308 444 H ALA 58 H ALA 58 -5.223 7.048 -4.066 445 HA ALA 58 HA ALA 58 -7.689 8.369 -3.357 446 HB1 ALA 58 1HB ALA 58 -7.541 6.282 -2.350 447 HB2 ALA 58 2HB ALA 58 -5.783 6.408 -2.101 448 HB3 ALA 58 3HB ALA 58 -6.898 7.318 -1.054 449 H LYS 59 H LYS 59 -7.871 10.329 -2.363 450 HA LYS 59 HA LYS 59 -5.352 11.545 -1.462 451 HB2 LYS 59 1HB LYS 59 -7.795 12.808 -2.735 452 HB3 LYS 59 2HB LYS 59 -6.508 13.726 -1.977 453 HG2 LYS 59 1HG LYS 59 -5.288 11.803 -3.752 454 HG3 LYS 59 2HG LYS 59 -6.576 12.600 -4.633 455 HD2 LYS 59 1HD LYS 59 -4.485 14.134 -3.026 456 HD3 LYS 59 2HD LYS 59 -4.278 13.745 -4.722 457 HE2 LYS 59 1HE LYS 59 -6.111 15.118 -5.394 458 HE3 LYS 59 2HE LYS 59 -6.802 15.148 -3.784 459 HZ1 LYS 59 1HZ LYS 59 -5.755 17.093 -3.688 460 HZ2 LYS 59 2HZ LYS 59 -4.416 16.220 -3.354 461 HZ3 LYS 59 3HZ LYS 59 -4.691 16.743 -4.877 462 H LEU 60 H LEU 60 -8.743 10.750 -0.757 463 HA LEU 60 HA LEU 60 -8.711 12.242 1.704 464 HB2 LEU 60 1HB LEU 60 -10.776 10.206 0.948 465 HB3 LEU 60 2HB LEU 60 -10.948 11.660 1.911 466 HG LEU 60 HG LEU 60 -11.941 12.447 0.051 467 HD11 LEU 60 1HD1 LEU 60 -9.376 12.817 -1.385 468 HD12 LEU 60 2HD1 LEU 60 -10.620 14.000 -0.915 469 HD13 LEU 60 3HD1 LEU 60 -9.440 13.425 0.287 470 HD21 LEU 60 1HD2 LEU 60 -11.455 10.050 -0.985 471 HD22 LEU 60 2HD2 LEU 60 -12.052 11.405 -1.972 472 HD23 LEU 60 3HD2 LEU 60 -10.322 10.989 -1.986 473 H GLU 61 H GLU 61 -9.033 11.207 3.836 474 HA GLU 61 HA GLU 61 -7.133 9.180 4.180 475 HB2 GLU 61 1HB GLU 61 -8.558 11.036 5.809 476 HB3 GLU 61 2HB GLU 61 -8.906 9.451 6.469 477 HG2 GLU 61 1HG GLU 61 -6.632 8.984 6.923 478 HG3 GLU 61 2HG GLU 61 -6.050 10.136 5.738 479 H HIS 62 H HIS 62 -10.747 9.247 4.588 480 HA HIS 62 HA HIS 62 -11.239 6.755 5.380 481 HB2 HIS 62 1HB HIS 62 -13.385 6.922 4.349 482 HB3 HIS 62 2HB HIS 62 -12.912 8.523 4.885 483 HD1 HIS 62 1HD HIS 62 -13.850 6.588 1.860 484 HD2 HIS 62 2HD HIS 62 -12.157 10.324 2.738 485 HE1 HIS 62 1HE HIS 62 -14.004 7.964 -0.283 486 H GLU 63 H GLU 63 -10.219 7.762 2.089 487 HA GLU 63 HA GLU 63 -10.674 5.335 0.855 488 HB2 GLU 63 1HB GLU 63 -8.417 7.264 0.178 489 HB3 GLU 63 2HB GLU 63 -9.240 6.169 -0.915 490 HG2 GLU 63 1HG GLU 63 -11.189 7.883 0.421 491 HG3 GLU 63 2HG GLU 63 -9.940 8.867 -0.316 492 H TYR 64 H TYR 64 -7.570 6.682 2.205 493 HA TYR 64 HA TYR 64 -5.868 4.674 1.769 494 HB2 TYR 64 1HB TYR 64 -6.434 6.111 4.438 495 HB3 TYR 64 2HB TYR 64 -4.892 5.401 4.005 496 HD1 TYR 64 2HD TYR 64 -5.729 6.581 0.968 497 HD2 TYR 64 1HD TYR 64 -4.857 8.132 4.859 498 HE1 TYR 64 2HE TYR 64 -5.005 8.788 -0.066 499 HE2 TYR 64 1HE TYR 64 -4.136 10.333 3.812 500 HH TYR 64 HH TYR 64 -4.893 11.185 0.709 501 H ILE 65 H ILE 65 -8.345 4.744 4.410 502 HA ILE 65 HA ILE 65 -7.606 2.444 5.705 503 HB ILE 65 HB ILE 65 -10.190 3.894 5.308 504 HG12 ILE 65 1HG1 ILE 65 -9.594 3.580 8.017 505 HG13 ILE 65 2HG1 ILE 65 -8.027 3.804 7.265 506 HG21 ILE 65 1HG2 ILE 65 -11.111 1.765 5.420 507 HG22 ILE 65 2HG2 ILE 65 -9.847 1.161 6.518 508 HG23 ILE 65 3HG2 ILE 65 -11.090 2.283 7.123 509 HD11 ILE 65 1HD1 ILE 65 -8.529 6.030 7.386 510 HD12 ILE 65 2HD1 ILE 65 -9.520 5.714 5.941 511 HD13 ILE 65 3HD1 ILE 65 -10.274 5.720 7.554 512 H GLN 66 H GLN 66 -10.340 2.608 3.315 513 HA GLN 66 HA GLN 66 -10.708 -0.009 2.988 514 HB2 GLN 66 1HB GLN 66 -10.797 2.194 0.887 515 HB3 GLN 66 2HB GLN 66 -11.406 0.578 0.590 516 HG2 GLN 66 1HG GLN 66 -13.235 0.852 1.983 517 HG3 GLN 66 2HG GLN 66 -12.360 1.858 3.120 518 HE21 GLN 66 1HE2 GLN 66 -14.950 2.006 1.454 519 HE22 GLN 66 2HE2 GLN 66 -14.953 3.608 0.796 520 H ASN 67 H ASN 67 -8.343 2.006 1.102 521 HA ASN 67 HA ASN 67 -7.368 0.227 -0.590 522 HB2 ASN 67 1HB ASN 67 -5.642 2.047 1.171 523 HB3 ASN 67 2HB ASN 67 -5.160 1.393 -0.382 524 HD21 ASN 67 1HD2 ASN 67 -4.834 3.623 -0.951 525 HD22 ASN 67 2HD2 ASN 67 -6.153 4.592 -1.518 526 H PHE 68 H PHE 68 -6.326 0.646 2.875 527 HA PHE 68 HA PHE 68 -4.506 -1.496 2.837 528 HB2 PHE 68 1HB PHE 68 -6.044 0.152 4.901 529 HB3 PHE 68 2HB PHE 68 -5.070 -1.198 5.449 530 HD1 PHE 68 2HD PHE 68 -2.589 -1.192 4.418 531 HD2 PHE 68 1HD PHE 68 -5.054 2.229 4.893 532 HE1 PHE 68 2HE PHE 68 -0.553 0.275 4.414 533 HE2 PHE 68 1HE PHE 68 -3.017 3.697 4.889 534 HZ PHE 68 HZ PHE 68 -0.791 2.702 4.650 535 H LYS 69 H LYS 69 -7.962 -1.185 3.847 536 HA LYS 69 HA LYS 69 -8.356 -3.549 5.088 537 HB2 LYS 69 1HB LYS 69 -10.203 -2.191 3.102 538 HB3 LYS 69 2HB LYS 69 -10.686 -3.416 4.258 539 HG2 LYS 69 1HG LYS 69 -9.522 -1.773 6.018 540 HG3 LYS 69 2HG LYS 69 -9.794 -0.573 4.770 541 HD2 LYS 69 1HD LYS 69 -12.062 -0.548 5.104 542 HD3 LYS 69 2HD LYS 69 -12.159 -2.291 5.258 543 HE2 LYS 69 1HE LYS 69 -11.075 -2.006 7.594 544 HE3 LYS 69 2HE LYS 69 -11.366 -0.287 7.414 545 HZ1 LYS 69 1HZ LYS 69 -13.707 -0.805 7.073 546 HZ2 LYS 69 2HZ LYS 69 -13.413 -2.392 7.319 547 HZ3 LYS 69 3HZ LYS 69 -13.183 -1.321 8.531 548 H ILE 70 H ILE 70 -8.205 -2.969 1.525 549 HA ILE 70 HA ILE 70 -8.765 -5.638 0.841 550 HB ILE 70 HB ILE 70 -7.430 -3.370 -0.631 551 HG12 ILE 70 1HG1 ILE 70 -10.216 -4.544 -0.865 552 HG13 ILE 70 2HG1 ILE 70 -9.815 -3.078 0.008 553 HG21 ILE 70 1HG2 ILE 70 -6.929 -4.679 -2.358 554 HG22 ILE 70 2HG2 ILE 70 -7.196 -6.068 -1.278 555 HG23 ILE 70 3HG2 ILE 70 -8.519 -5.476 -2.311 556 HD11 ILE 70 1HD1 ILE 70 -9.310 -3.541 -2.968 557 HD12 ILE 70 2HD1 ILE 70 -10.632 -2.569 -2.280 558 HD13 ILE 70 3HD1 ILE 70 -8.943 -2.046 -2.075 559 H LEU 71 H LEU 71 -5.634 -3.795 0.981 560 HA LEU 71 HA LEU 71 -3.950 -5.836 0.355 561 HB2 LEU 71 1HB LEU 71 -3.292 -3.513 0.620 562 HB3 LEU 71 2HB LEU 71 -3.562 -3.601 2.349 563 HG LEU 71 HG LEU 71 -1.146 -3.794 1.316 564 HD11 LEU 71 1HD1 LEU 71 -2.271 -4.332 3.770 565 HD12 LEU 71 2HD1 LEU 71 -1.388 -5.833 3.405 566 HD13 LEU 71 3HD1 LEU 71 -0.529 -4.274 3.408 567 HD21 LEU 71 1HD2 LEU 71 -1.948 -5.798 -0.092 568 HD22 LEU 71 2HD2 LEU 71 -0.375 -5.915 0.735 569 HD23 LEU 71 3HD2 LEU 71 -1.802 -6.732 1.417 570 H GLN 72 H GLN 72 -5.224 -4.985 3.644 571 HA GLN 72 HA GLN 72 -3.920 -6.831 5.091 572 HB2 GLN 72 1HB GLN 72 -6.176 -5.150 5.429 573 HB3 GLN 72 2HB GLN 72 -6.725 -6.745 5.904 574 HG2 GLN 72 1HG GLN 72 -4.056 -5.715 6.912 575 HG3 GLN 72 2HG GLN 72 -5.537 -5.179 7.679 576 HE21 GLN 72 1HE2 GLN 72 -3.223 -7.633 7.388 577 HE22 GLN 72 2HE2 GLN 72 -3.953 -8.847 8.385 578 H ALA 73 H ALA 73 -6.734 -7.326 2.924 579 HA ALA 73 HA ALA 73 -7.270 -9.968 3.751 580 HB1 ALA 73 1HB ALA 73 -7.830 -8.723 1.037 581 HB2 ALA 73 2HB ALA 73 -8.741 -10.011 1.862 582 HB3 ALA 73 3HB ALA 73 -8.784 -8.346 2.491 583 H GLY 74 H GLY 74 -5.042 -8.464 1.390 584 HA2 GLY 74 1HA GLY 74 -4.357 -10.628 -0.164 585 HA3 GLY 74 2HA GLY 74 -3.283 -9.317 0.278 586 H PHE 75 H PHE 75 -3.765 -10.081 3.269 587 HA PHE 75 HA PHE 75 -1.609 -12.015 3.321 588 HB2 PHE 75 1HB PHE 75 -3.099 -10.204 5.294 589 HB3 PHE 75 2HB PHE 75 -1.981 -11.417 5.888 590 HD1 PHE 75 1HD PHE 75 -0.943 -10.148 2.737 591 HD2 PHE 75 2HD PHE 75 -0.933 -9.283 6.891 592 HE1 PHE 75 1HE PHE 75 0.967 -8.554 2.401 593 HE2 PHE 75 2HE PHE 75 0.976 -7.689 6.555 594 HZ PHE 75 HZ PHE 75 1.903 -7.344 4.314 595 H LYS 76 H LYS 76 -4.758 -11.577 5.101 596 HA LYS 76 HA LYS 76 -4.881 -14.081 6.183 597 HB2 LYS 76 1HB LYS 76 -7.062 -13.571 6.741 598 HB3 LYS 76 2HB LYS 76 -6.378 -11.978 6.487 599 HG2 LYS 76 1HG LYS 76 -8.107 -11.635 5.045 600 HG3 LYS 76 2HG LYS 76 -7.215 -12.642 3.922 601 HD2 LYS 76 1HD LYS 76 -8.493 -14.574 4.424 602 HD3 LYS 76 2HD LYS 76 -9.008 -13.955 5.980 603 HE2 LYS 76 1HE LYS 76 -10.286 -12.120 4.675 604 HE3 LYS 76 2HE LYS 76 -9.959 -13.052 3.227 605 HZ1 LYS 76 1HZ LYS 76 -11.424 -14.599 3.830 606 HZ2 LYS 76 2HZ LYS 76 -11.022 -14.570 5.413 607 HZ3 LYS 76 3HZ LYS 76 -12.044 -13.448 4.809 608 H ARG 77 H ARG 77 -5.342 -13.067 2.834 609 HA ARG 77 HA ARG 77 -6.744 -15.391 2.089 610 HB2 ARG 77 1HB ARG 77 -5.305 -13.175 0.585 611 HB3 ARG 77 2HB ARG 77 -5.908 -14.570 -0.286 612 HG2 ARG 77 1HG ARG 77 -8.186 -14.118 0.882 613 HG3 ARG 77 2HG ARG 77 -7.515 -12.570 1.356 614 HD2 ARG 77 1HD ARG 77 -6.976 -12.173 -1.135 615 HD3 ARG 77 2HD ARG 77 -7.930 -13.599 -1.488 616 HE ARG 77 HE ARG 77 -9.295 -11.610 0.202 617 HH11 ARG 77 2HH2 ARG 77 -8.698 -12.746 -3.075 618 HH12 ARG 77 1HH2 ARG 77 -10.114 -11.994 -3.730 619 HH21 ARG 77 2HH1 ARG 77 -11.164 -10.618 -0.663 620 HH22 ARG 77 1HH1 ARG 77 -11.527 -10.776 -2.349 621 H MET 78 H MET 78 -3.326 -14.219 1.664 622 HA MET 78 HA MET 78 -2.471 -16.585 0.442 623 HB2 MET 78 1HB MET 78 -1.301 -14.062 1.533 624 HB3 MET 78 2HB MET 78 -0.199 -15.423 1.595 625 HG2 MET 78 1HG MET 78 -1.671 -14.449 -0.903 626 HG3 MET 78 2HG MET 78 0.023 -14.173 -0.550 627 HE1 MET 78 1HE MET 78 -1.333 -15.203 -2.917 628 HE2 MET 78 2HE MET 78 -0.439 -16.629 -3.496 629 HE3 MET 78 3HE MET 78 -2.058 -16.823 -2.783 630 H GLY 79 H GLY 79 -1.561 -15.260 3.713 631 HA2 GLY 79 1HA GLY 79 -2.231 -17.215 5.387 632 HA3 GLY 79 2HA GLY 79 -0.852 -17.945 4.588 633 H VAL 80 H VAL 80 -1.462 -14.474 5.442 634 HA VAL 80 HA VAL 80 0.995 -14.600 7.051 635 HB VAL 80 HB VAL 80 -0.206 -12.404 5.362 636 HG11 VAL 80 1HG1 VAL 80 1.836 -12.266 7.566 637 HG12 VAL 80 2HG1 VAL 80 1.970 -11.179 6.163 638 HG13 VAL 80 3HG1 VAL 80 0.506 -11.149 7.176 639 HG21 VAL 80 1HG2 VAL 80 1.948 -14.352 5.026 640 HG22 VAL 80 2HG2 VAL 80 1.141 -13.317 3.823 641 HG23 VAL 80 3HG2 VAL 80 2.499 -12.677 4.780 642 H ASP 81 H ASP 81 0.716 -14.378 9.206 643 HA ASP 81 HA ASP 81 -1.874 -13.468 10.085 644 HB2 ASP 81 1HB ASP 81 -0.549 -15.569 10.944 645 HB3 ASP 81 2HB ASP 81 0.407 -14.418 11.856 646 H LYS 82 H LYS 82 -0.938 -11.222 9.164 647 HA LYS 82 HA LYS 82 0.539 -9.923 11.348 648 HB2 LYS 82 1HB LYS 82 1.980 -9.889 9.492 649 HB3 LYS 82 2HB LYS 82 0.684 -9.562 8.359 650 HG2 LYS 82 1HG LYS 82 1.807 -7.469 8.632 651 HG3 LYS 82 2HG LYS 82 0.337 -7.320 9.575 652 HD2 LYS 82 1HD LYS 82 1.513 -7.697 11.656 653 HD3 LYS 82 2HD LYS 82 2.954 -8.250 10.827 654 HE2 LYS 82 1HE LYS 82 3.180 -5.932 9.800 655 HE3 LYS 82 2HE LYS 82 1.827 -5.410 10.784 656 HZ1 LYS 82 1HZ LYS 82 3.556 -4.916 12.128 657 HZ2 LYS 82 2HZ LYS 82 3.281 -6.435 12.659 658 HZ3 LYS 82 3HZ LYS 82 4.503 -6.144 11.616 659 H ILE 83 H ILE 83 -0.373 -8.133 12.303 660 HA ILE 83 HA ILE 83 -3.060 -7.481 11.349 661 HB ILE 83 HB ILE 83 -1.735 -6.974 14.015 662 HG12 ILE 83 1HG1 ILE 83 -2.188 -9.391 13.402 663 HG13 ILE 83 2HG1 ILE 83 -2.922 -8.812 14.884 664 HG21 ILE 83 1HG2 ILE 83 -4.360 -6.722 14.511 665 HG22 ILE 83 2HG2 ILE 83 -3.313 -5.352 14.070 666 HG23 ILE 83 3HG2 ILE 83 -4.325 -6.133 12.832 667 HD11 ILE 83 1HD1 ILE 83 -4.395 -8.833 12.215 668 HD12 ILE 83 2HD1 ILE 83 -4.462 -10.177 13.380 669 HD13 ILE 83 3HD1 ILE 83 -5.090 -8.575 13.832 670 H ILE 84 H ILE 84 -2.925 -5.911 9.802 671 HA ILE 84 HA ILE 84 -0.897 -3.925 9.891 672 HB ILE 84 HB ILE 84 -3.383 -4.276 8.221 673 HG12 ILE 84 1HG1 ILE 84 -0.444 -4.770 7.661 674 HG13 ILE 84 2HG1 ILE 84 -1.685 -5.989 7.873 675 HG21 ILE 84 1HG2 ILE 84 -2.906 -2.409 6.978 676 HG22 ILE 84 2HG2 ILE 84 -2.439 -1.851 8.603 677 HG23 ILE 84 3HG2 ILE 84 -1.191 -2.388 7.453 678 HD11 ILE 84 1HD1 ILE 84 -1.041 -4.376 5.499 679 HD12 ILE 84 2HD1 ILE 84 -1.972 -5.889 5.621 680 HD13 ILE 84 3HD1 ILE 84 -2.774 -4.325 5.901 681 HA PRO 85 HA PRO 85 -2.904 -1.087 12.460 682 HB2 PRO 85 1HB PRO 85 -1.467 1.167 11.895 683 HB3 PRO 85 2HB PRO 85 -0.910 -0.071 13.002 684 HG2 PRO 85 1HG PRO 85 -0.010 0.488 10.242 685 HG3 PRO 85 2HG PRO 85 0.797 -0.435 11.494 686 HD2 PRO 85 1HD PRO 85 -0.618 -1.484 9.230 687 HD3 PRO 85 2HD PRO 85 0.089 -2.405 10.543 688 H VAL 86 H VAL 86 -2.184 0.451 9.354 689 HA VAL 86 HA VAL 86 -3.489 1.553 7.951 690 HB VAL 86 HB VAL 86 -5.748 0.166 9.408 691 HG11 VAL 86 1HG1 VAL 86 -6.917 0.522 7.155 692 HG12 VAL 86 2HG1 VAL 86 -6.742 1.943 8.213 693 HG13 VAL 86 3HG1 VAL 86 -5.654 1.731 6.821 694 HG21 VAL 86 1HG2 VAL 86 -5.640 -1.330 7.325 695 HG22 VAL 86 2HG2 VAL 86 -4.026 -0.630 7.053 696 HG23 VAL 86 3HG2 VAL 86 -4.362 -1.536 8.548 697 H ASP 87 H ASP 87 -5.798 1.592 10.733 698 HA ASP 87 HA ASP 87 -6.612 4.055 10.646 699 HB2 ASP 87 1HB ASP 87 -6.254 2.100 12.727 700 HB3 ASP 87 2HB ASP 87 -5.810 3.654 13.404 701 H LYS 88 H LYS 88 -3.402 2.985 11.913 702 HA LYS 88 HA LYS 88 -2.624 5.604 12.725 703 HB2 LYS 88 1HB LYS 88 -1.046 3.041 12.352 704 HB3 LYS 88 2HB LYS 88 -0.402 4.515 13.047 705 HG2 LYS 88 1HG LYS 88 -1.131 3.679 15.042 706 HG3 LYS 88 2HG LYS 88 -2.720 4.206 14.524 707 HD2 LYS 88 1HD LYS 88 -2.713 1.823 13.268 708 HD3 LYS 88 2HD LYS 88 -1.540 1.431 14.509 709 HE2 LYS 88 1HE LYS 88 -3.387 2.578 16.109 710 HE3 LYS 88 2HE LYS 88 -4.461 2.115 14.805 711 HZ1 LYS 88 1HZ LYS 88 -2.566 0.173 15.873 712 HZ2 LYS 88 2HZ LYS 88 -3.969 0.458 16.659 713 HZ3 LYS 88 3HZ LYS 88 -3.992 -0.091 15.121 714 H LEU 89 H LEU 89 -1.742 3.408 9.971 715 HA LEU 89 HA LEU 89 -0.041 5.178 8.705 716 HB2 LEU 89 1HB LEU 89 -1.847 3.130 7.415 717 HB3 LEU 89 2HB LEU 89 -0.385 3.817 6.735 718 HG LEU 89 HG LEU 89 -0.451 2.139 9.257 719 HD11 LEU 89 1HD1 LEU 89 0.051 0.231 8.045 720 HD12 LEU 89 2HD1 LEU 89 -1.163 1.029 7.018 721 HD13 LEU 89 3HD1 LEU 89 0.565 1.147 6.608 722 HD21 LEU 89 1HD2 LEU 89 1.460 3.609 9.201 723 HD22 LEU 89 2HD2 LEU 89 1.988 1.944 8.862 724 HD23 LEU 89 3HD2 LEU 89 1.840 3.118 7.533 725 H VAL 90 H VAL 90 -3.563 4.581 8.017 726 HA VAL 90 HA VAL 90 -3.880 6.548 6.140 727 HB VAL 90 HB VAL 90 -6.231 6.443 6.679 728 HG11 VAL 90 1HG1 VAL 90 -6.028 3.674 7.153 729 HG12 VAL 90 2HG1 VAL 90 -6.151 4.502 5.582 730 HG13 VAL 90 3HG1 VAL 90 -4.552 4.123 6.266 731 HG21 VAL 90 1HG2 VAL 90 -6.840 4.879 8.695 732 HG22 VAL 90 2HG2 VAL 90 -5.240 5.365 9.306 733 HG23 VAL 90 3HG2 VAL 90 -6.480 6.599 8.977 734 H LYS 91 H LYS 91 -3.570 6.796 9.674 735 HA LYS 91 HA LYS 91 -4.495 9.489 9.779 736 HB2 LYS 91 1HB LYS 91 -3.176 7.589 11.704 737 HB3 LYS 91 2HB LYS 91 -3.315 9.289 12.103 738 HG2 LYS 91 1HG LYS 91 -5.740 7.748 11.118 739 HG3 LYS 91 2HG LYS 91 -5.253 7.646 12.798 740 HD2 LYS 91 1HD LYS 91 -5.614 10.342 11.437 741 HD3 LYS 91 2HD LYS 91 -6.983 9.487 12.120 742 HE2 LYS 91 1HE LYS 91 -6.443 10.402 14.128 743 HE3 LYS 91 2HE LYS 91 -5.040 9.353 14.154 744 HZ1 LYS 91 1HZ LYS 91 -4.368 11.606 14.389 745 HZ2 LYS 91 2HZ LYS 91 -3.844 11.080 12.935 746 HZ3 LYS 91 3HZ LYS 91 -5.144 12.063 13.027 747 H GLY 92 H GLY 92 -1.396 7.824 9.241 748 HA2 GLY 92 1HA GLY 92 0.336 8.863 8.051 749 HA3 GLY 92 2HA GLY 92 -0.200 10.433 8.616 750 H LYS 93 H LYS 93 0.367 7.375 10.482 751 HA LYS 93 HA LYS 93 1.970 8.894 12.348 752 HB2 LYS 93 1HB LYS 93 0.952 6.040 12.351 753 HB3 LYS 93 2HB LYS 93 1.936 6.729 13.626 754 HG2 LYS 93 1HG LYS 93 0.123 8.647 13.666 755 HG3 LYS 93 2HG LYS 93 -0.878 7.504 12.794 756 HD2 LYS 93 1HD LYS 93 -0.712 5.864 14.597 757 HD3 LYS 93 2HD LYS 93 0.506 6.815 15.424 758 HE2 LYS 93 1HE LYS 93 -1.533 8.668 15.197 759 HE3 LYS 93 2HE LYS 93 -2.452 7.184 15.343 760 HZ1 LYS 93 1HZ LYS 93 -2.049 7.331 17.490 761 HZ2 LYS 93 2HZ LYS 93 -0.480 6.979 17.205 762 HZ3 LYS 93 3HZ LYS 93 -0.961 8.536 17.311 763 H PHE 94 H PHE 94 3.760 9.421 10.928 764 HA PHE 94 HA PHE 94 5.215 7.892 9.341 765 HB2 PHE 94 1HB PHE 94 6.377 9.876 9.630 766 HB3 PHE 94 2HB PHE 94 5.601 10.141 11.179 767 HD1 PHE 94 1HD PHE 94 8.128 7.690 9.908 768 HD2 PHE 94 2HD PHE 94 7.121 10.589 12.839 769 HE1 PHE 94 1HE PHE 94 10.311 7.269 11.074 770 HE2 PHE 94 2HE PHE 94 9.304 10.168 14.005 771 HZ PHE 94 HZ PHE 94 10.872 8.513 13.109 772 H GLN 95 H GLN 95 5.744 7.977 12.943 773 HA GLN 95 HA GLN 95 7.700 6.084 13.007 774 HB2 GLN 95 1HB GLN 95 6.644 5.637 15.401 775 HB3 GLN 95 2HB GLN 95 7.412 7.170 15.038 776 HG2 GLN 95 1HG GLN 95 5.453 8.321 15.226 777 HG3 GLN 95 2HG GLN 95 4.585 7.171 14.227 778 HE21 GLN 95 1HE2 GLN 95 5.350 8.223 17.395 779 HE22 GLN 95 2HE2 GLN 95 4.394 7.097 18.300 780 H ASP 96 H ASP 96 4.109 5.651 13.205 781 HA ASP 96 HA ASP 96 4.385 2.835 13.391 782 HB2 ASP 96 1HB ASP 96 2.326 4.788 13.746 783 HB3 ASP 96 2HB ASP 96 1.757 3.714 12.484 784 H ASN 97 H ASN 97 5.071 4.900 10.928 785 HA ASN 97 HA ASN 97 3.715 3.342 8.889 786 HB2 ASN 97 1HB ASN 97 4.340 6.123 9.160 787 HB3 ASN 97 2HB ASN 97 5.370 5.534 7.869 788 HD21 ASN 97 1HD2 ASN 97 2.219 6.389 8.849 789 HD22 ASN 97 2HD2 ASN 97 1.361 6.043 7.385 790 H PHE 98 H PHE 98 6.866 4.283 10.286 791 HA PHE 98 HA PHE 98 8.341 3.001 8.156 792 HB2 PHE 98 1HB PHE 98 8.975 5.158 9.443 793 HB3 PHE 98 2HB PHE 98 9.196 4.168 10.872 794 HD1 PHE 98 2HD PHE 98 10.782 2.012 10.361 795 HD2 PHE 98 1HD PHE 98 10.892 5.727 8.312 796 HE1 PHE 98 2HE PHE 98 13.159 1.571 9.687 797 HE2 PHE 98 1HE PHE 98 13.269 5.286 7.639 798 HZ PHE 98 HZ PHE 98 14.374 3.213 8.334 799 H GLU 99 H GLU 99 7.317 2.419 11.536 800 HA GLU 99 HA GLU 99 9.023 0.170 11.814 801 HB2 GLU 99 1HB GLU 99 6.625 1.048 13.484 802 HB3 GLU 99 2HB GLU 99 7.794 -0.169 13.955 803 HG2 GLU 99 1HG GLU 99 8.685 2.643 13.215 804 HG3 GLU 99 2HG GLU 99 8.121 2.276 14.833 805 H PHE 100 H PHE 100 6.261 0.719 9.984 806 HA PHE 100 HA PHE 100 5.228 -1.984 10.390 807 HB2 PHE 100 1HB PHE 100 3.532 -0.239 10.413 808 HB3 PHE 100 2HB PHE 100 4.296 0.626 9.094 809 HD1 PHE 100 1HD PHE 100 4.084 -0.224 6.771 810 HD2 PHE 100 2HD PHE 100 1.970 -1.999 9.994 811 HE1 PHE 100 1HE PHE 100 2.538 -1.342 5.141 812 HE2 PHE 100 2HE PHE 100 0.423 -3.117 8.364 813 HZ PHE 100 HZ PHE 100 0.726 -2.775 5.957 814 H VAL 101 H VAL 101 6.743 0.209 7.991 815 HA VAL 101 HA VAL 101 6.412 -1.591 5.819 816 HB VAL 101 HB VAL 101 6.637 0.845 5.596 817 HG11 VAL 101 1HG1 VAL 101 8.322 1.142 7.420 818 HG12 VAL 101 2HG1 VAL 101 9.555 0.454 6.336 819 HG13 VAL 101 3HG1 VAL 101 8.744 1.980 5.907 820 HG21 VAL 101 1HG2 VAL 101 8.642 -0.939 4.207 821 HG22 VAL 101 2HG2 VAL 101 7.079 -0.334 3.609 822 HG23 VAL 101 3HG2 VAL 101 8.457 0.779 3.778 823 H GLN 102 H GLN 102 9.234 -0.649 7.908 824 HA GLN 102 HA GLN 102 11.131 -2.183 6.863 825 HB2 GLN 102 1HB GLN 102 11.978 -2.460 9.281 826 HB3 GLN 102 2HB GLN 102 11.697 -0.822 8.724 827 HG2 GLN 102 1HG GLN 102 10.351 -0.538 10.529 828 HG3 GLN 102 2HG GLN 102 9.195 -1.595 9.744 829 HE21 GLN 102 1HE2 GLN 102 10.420 -1.073 12.577 830 HE22 GLN 102 2HE2 GLN 102 10.626 -2.662 13.236 831 H TRP 103 H TRP 103 8.496 -3.295 9.066 832 HA TRP 103 HA TRP 103 9.438 -5.938 9.291 833 HB2 TRP 103 1HB TRP 103 7.943 -5.082 10.925 834 HB3 TRP 103 2HB TRP 103 6.744 -4.653 9.720 835 HD1 TRP 103 HD TRP 103 7.915 -7.617 11.806 836 HE1 TRP 103 1HE TRP 103 6.333 -9.709 11.520 837 HE3 TRP 103 3HE TRP 103 5.259 -5.734 7.900 838 HZ2 TRP 103 2HZ TRP 103 4.196 -10.328 9.732 839 HZ3 TRP 103 3HZ TRP 103 3.442 -7.147 6.942 840 HH2 TRP 103 HH TRP 103 2.895 -9.371 7.796 841 H PHE 104 H PHE 104 6.910 -4.351 7.214 842 HA PHE 104 HA PHE 104 6.089 -6.537 5.815 843 HB2 PHE 104 1HB PHE 104 6.192 -3.601 5.596 844 HB3 PHE 104 2HB PHE 104 6.372 -4.311 4.004 845 HD1 PHE 104 1HD PHE 104 4.171 -4.327 6.996 846 HD2 PHE 104 2HD PHE 104 4.499 -5.087 2.834 847 HE1 PHE 104 1HE PHE 104 1.685 -4.649 6.859 848 HE2 PHE 104 2HE PHE 104 2.014 -5.408 2.696 849 HZ PHE 104 HZ PHE 104 0.637 -5.186 4.710 850 H LYS 105 H LYS 105 8.728 -4.233 4.818 851 HA LYS 105 HA LYS 105 9.515 -5.415 2.530 852 HB2 LYS 105 1HB LYS 105 10.401 -3.316 3.650 853 HB3 LYS 105 2HB LYS 105 11.451 -4.349 4.599 854 HG2 LYS 105 1HG LYS 105 11.632 -5.135 1.809 855 HG3 LYS 105 2HG LYS 105 11.864 -3.402 1.925 856 HD2 LYS 105 1HD LYS 105 13.414 -4.215 4.032 857 HD3 LYS 105 2HD LYS 105 13.561 -5.623 2.999 858 HE2 LYS 105 1HE LYS 105 14.180 -4.048 1.081 859 HE3 LYS 105 2HE LYS 105 14.216 -2.738 2.244 860 HZ1 LYS 105 1HZ LYS 105 16.071 -4.889 1.883 861 HZ2 LYS 105 2HZ LYS 105 16.321 -3.383 2.464 862 HZ3 LYS 105 3HZ LYS 105 15.733 -4.549 3.444 863 H LYS 106 H LYS 106 10.665 -6.312 5.856 864 HA LYS 106 HA LYS 106 12.373 -8.307 5.209 865 HB2 LYS 106 1HB LYS 106 10.756 -7.552 7.525 866 HB3 LYS 106 2HB LYS 106 11.035 -9.280 7.449 867 HG2 LYS 106 1HG LYS 106 12.923 -8.459 8.630 868 HG3 LYS 106 2HG LYS 106 13.528 -8.704 7.004 869 HD2 LYS 106 1HD LYS 106 12.469 -6.072 6.991 870 HD3 LYS 106 2HD LYS 106 13.292 -6.215 8.532 871 HE2 LYS 106 1HE LYS 106 14.839 -7.377 6.287 872 HE3 LYS 106 2HE LYS 106 14.516 -5.667 6.081 873 HZ1 LYS 106 1HZ LYS 106 15.228 -5.921 8.685 874 HZ2 LYS 106 2HZ LYS 106 16.248 -6.934 7.912 875 HZ3 LYS 106 3HZ LYS 106 16.176 -5.361 7.479 876 H PHE 107 H PHE 107 8.865 -8.874 5.994 877 HA PHE 107 HA PHE 107 8.665 -11.459 5.360 878 HB2 PHE 107 1HB PHE 107 6.979 -9.302 5.824 879 HB3 PHE 107 2HB PHE 107 6.610 -9.614 4.140 880 HD1 PHE 107 1HD PHE 107 6.292 -12.281 3.665 881 HD2 PHE 107 2HD PHE 107 5.588 -10.303 7.353 882 HE1 PHE 107 1HE PHE 107 4.722 -14.115 4.349 883 HE2 PHE 107 2HE PHE 107 4.018 -12.137 8.037 884 HZ PHE 107 HZ PHE 107 3.603 -14.021 6.527 885 H PHE 108 H PHE 108 9.026 -8.748 3.055 886 HA PHE 108 HA PHE 108 8.558 -10.505 0.810 887 HB2 PHE 108 1HB PHE 108 9.111 -7.569 1.384 888 HB3 PHE 108 2HB PHE 108 9.437 -8.145 -0.238 889 HD1 PHE 108 2HD PHE 108 6.705 -8.365 2.306 890 HD2 PHE 108 1HD PHE 108 7.749 -7.916 -1.782 891 HE1 PHE 108 2HE PHE 108 4.281 -8.083 1.718 892 HE2 PHE 108 1HE PHE 108 5.325 -7.634 -2.370 893 HZ PHE 108 HZ PHE 108 3.620 -7.721 -0.613 894 H ASP 109 H ASP 109 10.753 -11.317 2.500 895 HA ASP 109 HA ASP 109 12.725 -11.485 0.505 896 HB2 ASP 109 1HB ASP 109 13.261 -9.223 1.450 897 HB3 ASP 109 2HB ASP 109 13.411 -9.932 3.046 898 H SER 110 H SER 110 13.419 -13.607 0.810 899 HA SER 110 HA SER 110 12.676 -15.191 2.834 900 HB2 SER 110 1HB SER 110 14.676 -15.277 0.698 901 HB3 SER 110 2HB SER 110 15.227 -16.171 2.100 902 HG SER 110 HG SER 110 13.986 -17.734 1.309 903 H GLY 111 H GLY 111 15.798 -13.356 2.569 904 HA2 GLY 111 1HA GLY 111 16.954 -12.373 4.291 905 HA3 GLY 111 2HA GLY 111 15.940 -13.188 5.465 906 HA PRO 112 HA PRO 112 19.949 -15.490 4.674 907 HB2 PRO 112 1HB PRO 112 21.780 -14.243 6.275 908 HB3 PRO 112 2HB PRO 112 21.663 -13.956 4.550 909 HG2 PRO 112 1HG PRO 112 20.783 -12.227 6.781 910 HG3 PRO 112 2HG PRO 112 21.066 -11.799 5.105 911 HD2 PRO 112 1HD PRO 112 18.522 -12.189 6.370 912 HD3 PRO 112 2HD PRO 112 18.810 -11.875 4.671 913 H SER 113 H SER 113 18.966 -13.988 7.694 914 HA SER 113 HA SER 113 19.802 -16.255 9.169 915 HB2 SER 113 1HB SER 113 19.670 -13.889 10.062 916 HB3 SER 113 2HB SER 113 17.922 -14.002 10.005 917 HG SER 113 HG SER 113 18.400 -16.104 11.358 918 H SER 114 H SER 114 18.616 -18.078 9.728 919 HA SER 114 HA SER 114 15.838 -18.052 8.840 920 HB2 SER 114 1HB SER 114 16.033 -20.404 8.348 921 HB3 SER 114 2HB SER 114 17.416 -19.611 7.620 922 HG SER 114 HG SER 114 18.414 -21.242 8.667 923 H GLY 115 H GLY 115 14.225 -18.842 10.275 924 HA2 GLY 115 1HA GLY 115 14.907 -18.747 13.060 925 HA3 GLY 115 2HA GLY 115 13.327 -19.008 12.349 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 23.005 19.471 -5.772 2 HA2 GLY 1 1HA GLY 1 22.394 18.003 -8.228 3 HA3 GLY 1 2HA GLY 1 23.821 18.960 -7.886 4 H SER 2 H SER 2 25.123 18.071 -5.817 5 HA SER 2 HA SER 2 25.615 15.309 -6.477 6 HB2 SER 2 1HB SER 2 27.167 17.567 -5.371 7 HB3 SER 2 2HB SER 2 27.476 16.059 -4.532 8 HG SER 2 HG SER 2 27.843 16.665 -7.324 9 H SER 3 H SER 3 24.680 13.698 -5.276 10 HA SER 3 HA SER 3 23.777 14.428 -2.616 11 HB2 SER 3 1HB SER 3 22.977 12.237 -4.562 12 HB3 SER 3 2HB SER 3 22.506 12.165 -2.875 13 HG SER 3 HG SER 3 21.793 14.143 -4.849 14 H GLY 4 H GLY 4 25.234 11.593 -4.385 15 HA2 GLY 4 1HA GLY 4 26.530 9.902 -3.630 16 HA3 GLY 4 2HA GLY 4 27.478 11.203 -2.938 17 H SER 5 H SER 5 27.769 11.216 -0.746 18 HA SER 5 HA SER 5 27.514 10.780 1.365 19 HB2 SER 5 1HB SER 5 24.921 11.396 0.546 20 HB3 SER 5 2HB SER 5 24.702 9.863 1.367 21 HG SER 5 HG SER 5 24.516 11.575 2.886 22 H SER 6 H SER 6 27.737 8.966 2.803 23 HA SER 6 HA SER 6 28.223 6.558 1.533 24 HB2 SER 6 1HB SER 6 28.884 7.652 3.947 25 HB3 SER 6 2HB SER 6 27.660 6.513 4.470 26 HG SER 6 HG SER 6 28.852 4.787 3.618 27 H GLY 7 H GLY 7 25.678 7.343 4.025 28 HA2 GLY 7 1HA GLY 7 23.967 5.291 2.751 29 HA3 GLY 7 2HA GLY 7 24.079 5.516 4.485 30 H GLN 8 H GLN 8 21.604 5.737 4.005 31 HA GLN 8 HA GLN 8 20.919 8.361 4.462 32 HB2 GLN 8 1HB GLN 8 21.247 7.795 1.658 33 HB3 GLN 8 2HB GLN 8 19.535 8.019 1.958 34 HG2 GLN 8 1HG GLN 8 20.125 10.163 3.224 35 HG3 GLN 8 2HG GLN 8 21.779 9.959 2.680 36 HE21 GLN 8 1HE2 GLN 8 20.864 12.201 1.923 37 HE22 GLN 8 2HE2 GLN 8 20.335 12.264 0.275 38 H ARG 9 H ARG 9 19.749 7.276 6.126 39 HA ARG 9 HA ARG 9 18.075 5.144 5.647 40 HB2 ARG 9 1HB ARG 9 18.608 7.055 7.845 41 HB3 ARG 9 2HB ARG 9 16.948 6.493 7.841 42 HG2 ARG 9 1HG ARG 9 18.321 4.129 7.385 43 HG3 ARG 9 2HG ARG 9 19.454 4.990 8.407 44 HD2 ARG 9 1HD ARG 9 16.706 5.258 9.417 45 HD3 ARG 9 2HD ARG 9 17.158 3.572 9.256 46 HE ARG 9 HE ARG 9 18.278 5.504 11.143 47 HH11 ARG 9 2HH2 ARG 9 18.899 2.505 9.410 48 HH12 ARG 9 1HH2 ARG 9 20.075 1.941 10.549 49 HH21 ARG 9 2HH1 ARG 9 19.830 4.760 12.646 50 HH22 ARG 9 1HH1 ARG 9 20.609 3.232 12.402 51 H ARG 10 H ARG 10 15.532 5.464 6.412 52 HA ARG 10 HA ARG 10 13.560 6.235 5.955 53 HB2 ARG 10 1HB ARG 10 15.167 8.674 5.846 54 HB3 ARG 10 2HB ARG 10 13.883 8.764 4.658 55 HG2 ARG 10 1HG ARG 10 12.897 7.665 7.199 56 HG3 ARG 10 2HG ARG 10 13.652 9.229 7.438 57 HD2 ARG 10 1HD ARG 10 11.429 8.606 5.432 58 HD3 ARG 10 2HD ARG 10 11.239 9.494 6.931 59 HE ARG 10 HE ARG 10 12.497 11.335 5.993 60 HH11 ARG 10 2HH2 ARG 10 11.966 8.701 3.720 61 HH12 ARG 10 1HH2 ARG 10 12.324 9.663 2.325 62 HH21 ARG 10 2HH1 ARG 10 12.969 12.604 4.152 63 HH22 ARG 10 1HH1 ARG 10 12.899 11.898 2.572 64 H HIS 11 H HIS 11 15.601 7.787 3.358 65 HA HIS 11 HA HIS 11 13.803 7.136 1.322 66 HB2 HIS 11 1HB HIS 11 15.654 8.929 1.420 67 HB3 HIS 11 2HB HIS 11 16.750 7.653 0.931 68 HD1 HIS 11 1HD HIS 11 16.054 6.404 -1.432 69 HD2 HIS 11 2HD HIS 11 14.345 10.156 -0.658 70 HE1 HIS 11 1HE HIS 11 15.202 7.278 -3.673 71 H ASP 12 H ASP 12 15.951 5.188 3.146 72 HA ASP 12 HA ASP 12 16.944 3.466 1.276 73 HB2 ASP 12 1HB ASP 12 17.356 3.567 3.821 74 HB3 ASP 12 2HB ASP 12 15.877 2.648 4.014 75 H MET 13 H MET 13 13.876 3.267 3.239 76 HA MET 13 HA MET 13 12.976 0.941 1.993 77 HB2 MET 13 1HB MET 13 11.362 3.167 3.357 78 HB3 MET 13 2HB MET 13 10.824 1.515 3.129 79 HG2 MET 13 1HG MET 13 13.178 2.430 4.850 80 HG3 MET 13 2HG MET 13 11.649 1.800 5.431 81 HE1 MET 13 1HE MET 13 10.990 -0.977 3.805 82 HE2 MET 13 2HE MET 13 11.754 -1.837 5.163 83 HE3 MET 13 3HE MET 13 10.866 -0.322 5.455 84 H LEU 14 H LEU 14 12.017 4.424 1.570 85 HA LEU 14 HA LEU 14 10.103 4.192 -0.302 86 HB2 LEU 14 1HB LEU 14 12.286 6.240 -0.571 87 HB3 LEU 14 2HB LEU 14 10.580 6.399 -0.941 88 HG LEU 14 HG LEU 14 11.955 6.453 1.730 89 HD11 LEU 14 1HD1 LEU 14 10.661 8.488 2.036 90 HD12 LEU 14 2HD1 LEU 14 11.579 8.556 0.513 91 HD13 LEU 14 3HD1 LEU 14 9.831 8.220 0.484 92 HD21 LEU 14 1HD2 LEU 14 9.203 5.449 1.164 93 HD22 LEU 14 2HD2 LEU 14 10.361 4.982 2.433 94 HD23 LEU 14 3HD2 LEU 14 9.443 6.500 2.581 95 H ALA 15 H ALA 15 13.666 3.987 -0.845 96 HA ALA 15 HA ALA 15 13.593 3.836 -3.608 97 HB1 ALA 15 1HB ALA 15 15.618 4.159 -2.206 98 HB2 ALA 15 2HB ALA 15 15.493 2.470 -1.658 99 HB3 ALA 15 3HB ALA 15 15.818 2.828 -3.371 100 H TRP 16 H TRP 16 13.399 1.220 -1.106 101 HA TRP 16 HA TRP 16 13.389 -0.967 -2.708 102 HB2 TRP 16 1HB TRP 16 13.348 -1.046 -0.281 103 HB3 TRP 16 2HB TRP 16 11.704 -0.438 -0.254 104 HD1 TRP 16 HD TRP 16 13.449 -3.527 -1.933 105 HE1 TRP 16 1HE TRP 16 11.931 -5.672 -1.702 106 HE3 TRP 16 3HE TRP 16 9.630 -1.205 0.491 107 HZ2 TRP 16 2HZ TRP 16 9.360 -6.147 -0.556 108 HZ3 TRP 16 3HZ TRP 16 7.653 -2.582 1.130 109 HH2 TRP 16 HH TRP 16 7.480 -4.971 0.645 110 H ILE 17 H ILE 17 10.376 0.737 -1.566 111 HA ILE 17 HA ILE 17 8.691 -0.542 -3.361 112 HB ILE 17 HB ILE 17 8.524 2.035 -1.822 113 HG12 ILE 17 1HG1 ILE 17 6.525 0.167 -1.107 114 HG13 ILE 17 2HG1 ILE 17 8.007 -0.753 -1.274 115 HG21 ILE 17 1HG2 ILE 17 7.212 2.296 -3.897 116 HG22 ILE 17 2HG2 ILE 17 6.310 0.815 -3.493 117 HG23 ILE 17 3HG2 ILE 17 6.192 2.244 -2.439 118 HD11 ILE 17 1HD1 ILE 17 7.671 0.200 1.036 119 HD12 ILE 17 2HD1 ILE 17 9.186 0.734 0.270 120 HD13 ILE 17 3HD1 ILE 17 7.787 1.832 0.335 121 H ASN 18 H ASN 18 10.077 2.816 -3.556 122 HA ASN 18 HA ASN 18 9.147 3.615 -5.876 123 HB2 ASN 18 1HB ASN 18 11.965 3.809 -4.741 124 HB3 ASN 18 2HB ASN 18 11.593 4.567 -6.276 125 HD21 ASN 18 1HD2 ASN 18 12.359 6.322 -4.640 126 HD22 ASN 18 2HD2 ASN 18 11.102 7.231 -3.871 127 H GLU 19 H GLU 19 12.002 1.410 -5.412 128 HA GLU 19 HA GLU 19 12.049 0.937 -8.262 129 HB2 GLU 19 1HB GLU 19 13.978 0.745 -6.039 130 HB3 GLU 19 2HB GLU 19 14.040 -0.648 -7.100 131 HG2 GLU 19 1HG GLU 19 13.816 1.676 -8.778 132 HG3 GLU 19 2HG GLU 19 15.040 2.030 -7.575 133 H SER 20 H SER 20 9.735 -0.059 -7.703 134 HA SER 20 HA SER 20 10.119 -2.857 -7.873 135 HB2 SER 20 1HB SER 20 8.688 -1.711 -5.437 136 HB3 SER 20 2HB SER 20 8.551 -3.384 -5.940 137 HG SER 20 HG SER 20 10.421 -2.354 -4.362 138 H LEU 21 H LEU 21 7.885 -0.072 -7.343 139 HA LEU 21 HA LEU 21 6.119 -1.275 -9.355 140 HB2 LEU 21 1HB LEU 21 5.050 0.408 -7.120 141 HB3 LEU 21 2HB LEU 21 4.206 -0.712 -8.171 142 HG LEU 21 HG LEU 21 6.287 -1.842 -6.352 143 HD11 LEU 21 1HD1 LEU 21 3.585 -1.508 -5.158 144 HD12 LEU 21 2HD1 LEU 21 5.188 -1.579 -4.388 145 HD13 LEU 21 3HD1 LEU 21 4.648 -0.080 -5.180 146 HD21 LEU 21 1HD2 LEU 21 3.893 -2.745 -7.820 147 HD22 LEU 21 2HD2 LEU 21 5.389 -3.614 -7.400 148 HD23 LEU 21 3HD2 LEU 21 4.092 -3.439 -6.193 149 H GLN 22 H GLN 22 8.403 0.981 -8.875 150 HA GLN 22 HA GLN 22 8.933 2.841 -9.861 151 HB2 GLN 22 1HB GLN 22 6.541 2.129 -11.588 152 HB3 GLN 22 2HB GLN 22 7.428 3.615 -11.859 153 HG2 GLN 22 1HG GLN 22 9.535 2.341 -12.161 154 HG3 GLN 22 2HG GLN 22 8.706 0.841 -11.797 155 HE21 GLN 22 1HE2 GLN 22 9.732 0.408 -13.954 156 HE22 GLN 22 2HE2 GLN 22 8.790 0.711 -15.376 157 H LEU 23 H LEU 23 8.305 3.665 -7.619 158 HA LEU 23 HA LEU 23 5.936 5.386 -7.773 159 HB2 LEU 23 1HB LEU 23 7.478 4.499 -5.333 160 HB3 LEU 23 2HB LEU 23 5.980 5.409 -5.359 161 HG LEU 23 HG LEU 23 5.439 3.173 -4.781 162 HD11 LEU 23 1HD1 LEU 23 4.745 3.400 -7.717 163 HD12 LEU 23 2HD1 LEU 23 3.832 2.572 -6.433 164 HD13 LEU 23 3HD1 LEU 23 3.955 4.347 -6.434 165 HD21 LEU 23 1HD2 LEU 23 7.644 2.305 -5.870 166 HD22 LEU 23 2HD2 LEU 23 6.229 1.231 -5.748 167 HD23 LEU 23 3HD2 LEU 23 6.613 2.026 -7.294 168 H ASN 24 H ASN 24 6.908 7.059 -5.534 169 HA ASN 24 HA ASN 24 9.379 8.139 -6.158 170 HB2 ASN 24 1HB ASN 24 7.864 8.833 -8.212 171 HB3 ASN 24 2HB ASN 24 7.121 9.958 -7.093 172 HD21 ASN 24 1HD2 ASN 24 8.091 11.813 -6.598 173 HD22 ASN 24 2HD2 ASN 24 9.658 12.317 -7.138 174 H LEU 25 H LEU 25 8.707 7.596 -3.724 175 HA LEU 25 HA LEU 25 7.197 9.809 -2.559 176 HB2 LEU 25 1HB LEU 25 8.159 7.343 -1.133 177 HB3 LEU 25 2HB LEU 25 6.887 8.454 -0.663 178 HG LEU 25 HG LEU 25 6.775 6.557 -3.025 179 HD11 LEU 25 1HD1 LEU 25 5.894 6.328 -0.182 180 HD12 LEU 25 2HD1 LEU 25 4.852 5.636 -1.449 181 HD13 LEU 25 3HD1 LEU 25 6.540 5.094 -1.291 182 HD21 LEU 25 1HD2 LEU 25 4.768 7.408 -3.629 183 HD22 LEU 25 2HD2 LEU 25 4.323 7.851 -1.964 184 HD23 LEU 25 3HD2 LEU 25 5.440 8.881 -2.891 185 H THR 26 H THR 26 8.077 11.047 -0.790 186 HA THR 26 HA THR 26 11.021 11.069 -0.840 187 HB THR 26 HB THR 26 10.631 13.514 -0.144 188 HG1 THR 26 1HG THR 26 8.451 13.301 0.595 189 HG21 THR 26 1HG2 THR 26 9.748 12.331 -2.778 190 HG22 THR 26 2HG2 THR 26 9.336 14.033 -2.458 191 HG23 THR 26 3HG2 THR 26 11.038 13.513 -2.451 192 H LYS 27 H LYS 27 8.250 10.314 1.046 193 HA LYS 27 HA LYS 27 9.992 10.100 3.373 194 HB2 LYS 27 1HB LYS 27 7.307 11.508 3.371 195 HB3 LYS 27 2HB LYS 27 8.150 10.996 4.819 196 HG2 LYS 27 1HG LYS 27 10.191 12.336 3.682 197 HG3 LYS 27 2HG LYS 27 8.887 13.168 2.860 198 HD2 LYS 27 1HD LYS 27 8.775 12.793 5.869 199 HD3 LYS 27 2HD LYS 27 9.755 14.076 5.187 200 HE2 LYS 27 1HE LYS 27 7.096 14.008 3.940 201 HE3 LYS 27 2HE LYS 27 6.969 14.153 5.682 202 HZ1 LYS 27 1HZ LYS 27 8.123 16.113 5.664 203 HZ2 LYS 27 2HZ LYS 27 8.866 15.829 4.238 204 HZ3 LYS 27 3HZ LYS 27 7.286 16.239 4.268 205 H ILE 28 H ILE 28 8.687 8.787 5.155 206 HA ILE 28 HA ILE 28 7.861 6.394 3.801 207 HB ILE 28 HB ILE 28 8.288 7.141 6.688 208 HG12 ILE 28 1HG1 ILE 28 10.179 6.722 4.890 209 HG13 ILE 28 2HG1 ILE 28 10.328 6.136 6.534 210 HG21 ILE 28 1HG2 ILE 28 7.851 4.866 7.320 211 HG22 ILE 28 2HG2 ILE 28 6.425 5.504 6.469 212 HG23 ILE 28 3HG2 ILE 28 7.543 4.403 5.630 213 HD11 ILE 28 1HD1 ILE 28 9.465 3.909 5.839 214 HD12 ILE 28 2HD1 ILE 28 9.291 4.503 4.170 215 HD13 ILE 28 3HD1 ILE 28 10.908 4.363 4.901 216 H GLU 29 H GLU 29 6.389 8.932 5.900 217 HA GLU 29 HA GLU 29 3.970 7.804 6.307 218 HB2 GLU 29 1HB GLU 29 5.114 10.479 6.361 219 HB3 GLU 29 2HB GLU 29 3.465 10.555 5.774 220 HG2 GLU 29 1HG GLU 29 2.848 9.026 7.785 221 HG3 GLU 29 2HG GLU 29 4.447 9.381 8.408 222 H GLN 30 H GLN 30 5.367 8.879 3.290 223 HA GLN 30 HA GLN 30 3.150 9.583 1.869 224 HB2 GLN 30 1HB GLN 30 5.827 8.404 1.200 225 HB3 GLN 30 2HB GLN 30 4.612 8.366 -0.063 226 HG2 GLN 30 1HG GLN 30 4.785 10.970 1.366 227 HG3 GLN 30 2HG GLN 30 6.246 10.534 0.503 228 HE21 GLN 30 1HE2 GLN 30 6.171 11.865 -1.185 229 HE22 GLN 30 2HE2 GLN 30 4.927 11.912 -2.389 230 H LEU 31 H LEU 31 3.979 6.503 3.242 231 HA LEU 31 HA LEU 31 2.276 5.056 1.383 232 HB2 LEU 31 1HB LEU 31 3.561 3.806 3.767 233 HB3 LEU 31 2HB LEU 31 3.215 3.125 2.191 234 HG LEU 31 HG LEU 31 5.160 5.302 2.042 235 HD11 LEU 31 1HD1 LEU 31 5.533 4.209 4.376 236 HD12 LEU 31 2HD1 LEU 31 6.209 2.857 3.436 237 HD13 LEU 31 3HD1 LEU 31 6.921 4.483 3.295 238 HD21 LEU 31 1HD2 LEU 31 4.452 3.137 0.528 239 HD22 LEU 31 2HD2 LEU 31 5.947 4.084 0.335 240 HD23 LEU 31 3HD2 LEU 31 5.963 2.577 1.282 241 H CYS 32 H CYS 32 1.085 7.183 2.975 242 HA CYS 32 HA CYS 32 -0.332 5.749 5.054 243 HB2 CYS 32 1HB CYS 32 -1.337 7.979 5.548 244 HB3 CYS 32 2HB CYS 32 0.411 7.946 5.672 245 HG CYS 32 HG CYS 32 -0.587 10.203 4.564 246 H SER 33 H SER 33 -0.581 5.061 2.134 247 HA SER 33 HA SER 33 -3.381 5.805 1.790 248 HB2 SER 33 1HB SER 33 -2.896 5.154 -0.679 249 HB3 SER 33 2HB SER 33 -2.270 6.683 -0.095 250 HG SER 33 HG SER 33 -0.208 5.912 -0.097 251 H GLY 34 H GLY 34 -0.987 3.198 0.909 252 HA2 GLY 34 1HA GLY 34 -1.216 0.974 1.646 253 HA3 GLY 34 2HA GLY 34 -2.945 1.200 1.819 254 H ALA 35 H ALA 35 -0.704 2.005 -0.924 255 HA ALA 35 HA ALA 35 -2.372 0.252 -2.597 256 HB1 ALA 35 1HB ALA 35 -2.734 2.036 -3.910 257 HB2 ALA 35 2HB ALA 35 -1.783 3.051 -2.799 258 HB3 ALA 35 3HB ALA 35 -0.980 2.217 -4.151 259 H ALA 36 H ALA 36 0.917 1.759 -2.248 260 HA ALA 36 HA ALA 36 2.334 0.344 -4.024 261 HB1 ALA 36 1HB ALA 36 3.599 1.863 -2.836 262 HB2 ALA 36 2HB ALA 36 2.885 1.401 -1.272 263 HB3 ALA 36 3HB ALA 36 4.117 0.364 -2.029 264 H TYR 37 H TYR 37 1.816 -0.771 -0.596 265 HA TYR 37 HA TYR 37 2.931 -3.218 -0.747 266 HB2 TYR 37 1HB TYR 37 0.169 -2.530 0.432 267 HB3 TYR 37 2HB TYR 37 1.264 -3.753 1.047 268 HD1 TYR 37 2HD TYR 37 3.532 -2.968 1.995 269 HD2 TYR 37 1HD TYR 37 0.259 -0.318 1.241 270 HE1 TYR 37 2HE TYR 37 4.547 -1.253 3.574 271 HE2 TYR 37 1HE TYR 37 1.286 1.388 2.822 272 HH TYR 37 HH TYR 37 4.312 0.661 4.540 273 H CYS 38 H CYS 38 -0.516 -2.448 -1.615 274 HA CYS 38 HA CYS 38 -1.298 -4.960 -2.303 275 HB2 CYS 38 1HB CYS 38 -2.162 -2.215 -3.001 276 HB3 CYS 38 2HB CYS 38 -2.653 -3.453 -4.140 277 HG CYS 38 HG CYS 38 -3.606 -2.749 -1.185 278 H GLN 39 H GLN 39 -0.186 -2.391 -4.642 279 HA GLN 39 HA GLN 39 -0.001 -3.865 -6.847 280 HB2 GLN 39 1HB GLN 39 1.001 -1.369 -5.955 281 HB3 GLN 39 2HB GLN 39 2.390 -2.198 -6.628 282 HG2 GLN 39 1HG GLN 39 0.492 -2.778 -8.538 283 HG3 GLN 39 2HG GLN 39 -0.076 -1.212 -7.993 284 HE21 GLN 39 1HE2 GLN 39 1.025 0.610 -8.457 285 HE22 GLN 39 2HE2 GLN 39 2.442 0.690 -9.450 286 H PHE 40 H PHE 40 2.370 -3.779 -4.139 287 HA PHE 40 HA PHE 40 4.347 -5.298 -5.394 288 HB2 PHE 40 1HB PHE 40 3.730 -4.062 -2.877 289 HB3 PHE 40 2HB PHE 40 4.013 -5.747 -2.491 290 HD1 PHE 40 2HD PHE 40 6.115 -6.365 -4.548 291 HD2 PHE 40 1HD PHE 40 5.627 -3.035 -1.964 292 HE1 PHE 40 2HE PHE 40 8.592 -5.961 -4.600 293 HE2 PHE 40 1HE PHE 40 8.104 -2.631 -2.016 294 HZ PHE 40 HZ PHE 40 9.557 -4.099 -3.334 295 H MET 41 H MET 41 1.442 -6.202 -3.466 296 HA MET 41 HA MET 41 2.125 -8.888 -3.214 297 HB2 MET 41 1HB MET 41 -0.350 -7.179 -2.964 298 HB3 MET 41 2HB MET 41 -0.617 -8.904 -3.112 299 HG2 MET 41 1HG MET 41 1.202 -7.590 -1.034 300 HG3 MET 41 2HG MET 41 -0.421 -8.170 -0.720 301 HE1 MET 41 1HE MET 41 -1.125 -10.172 -0.243 302 HE2 MET 41 2HE MET 41 -0.836 -11.219 -1.653 303 HE3 MET 41 3HE MET 41 -0.212 -11.688 -0.053 304 H ASP 42 H ASP 42 -0.371 -7.357 -5.385 305 HA ASP 42 HA ASP 42 -1.131 -9.434 -6.806 306 HB2 ASP 42 1HB ASP 42 -2.012 -7.276 -7.351 307 HB3 ASP 42 2HB ASP 42 -0.425 -6.619 -7.699 308 H MET 43 H MET 43 1.952 -7.584 -7.201 309 HA MET 43 HA MET 43 2.804 -8.867 -9.505 310 HB2 MET 43 1HB MET 43 3.755 -6.911 -7.627 311 HB3 MET 43 2HB MET 43 5.012 -8.128 -7.723 312 HG2 MET 43 1HG MET 43 5.009 -7.924 -10.226 313 HG3 MET 43 2HG MET 43 3.767 -6.692 -10.119 314 HE1 MET 43 1HE MET 43 8.075 -6.708 -8.954 315 HE2 MET 43 2HE MET 43 7.152 -6.574 -7.438 316 HE3 MET 43 3HE MET 43 6.837 -7.924 -8.556 317 H LEU 44 H LEU 44 3.322 -9.595 -6.005 318 HA LEU 44 HA LEU 44 5.026 -11.814 -6.582 319 HB2 LEU 44 1HB LEU 44 3.651 -10.923 -4.043 320 HB3 LEU 44 2HB LEU 44 4.819 -12.225 -4.147 321 HG LEU 44 HG LEU 44 5.336 -9.297 -4.729 322 HD11 LEU 44 1HD1 LEU 44 6.729 -9.342 -2.740 323 HD12 LEU 44 2HD1 LEU 44 5.066 -9.835 -2.342 324 HD13 LEU 44 3HD1 LEU 44 6.348 -11.062 -2.482 325 HD21 LEU 44 1HD2 LEU 44 6.691 -10.561 -6.236 326 HD22 LEU 44 2HD2 LEU 44 7.732 -10.004 -4.905 327 HD23 LEU 44 3HD2 LEU 44 7.172 -11.693 -4.949 328 H PHE 45 H PHE 45 1.677 -11.499 -5.195 329 HA PHE 45 HA PHE 45 1.201 -14.217 -6.196 330 HB2 PHE 45 1HB PHE 45 -0.022 -12.515 -3.943 331 HB3 PHE 45 2HB PHE 45 -0.653 -14.086 -4.393 332 HD1 PHE 45 1HD PHE 45 0.584 -16.122 -3.868 333 HD2 PHE 45 2HD PHE 45 2.076 -12.314 -2.738 334 HE1 PHE 45 1HE PHE 45 2.201 -17.222 -2.295 335 HE2 PHE 45 2HE PHE 45 3.693 -13.414 -1.165 336 HZ PHE 45 HZ PHE 45 3.736 -15.855 -0.962 337 HA PRO 46 HA PRO 46 -1.530 -11.988 -8.851 338 HB2 PRO 46 1HB PRO 46 -1.842 -13.966 -10.710 339 HB3 PRO 46 2HB PRO 46 -0.548 -12.787 -10.774 340 HG2 PRO 46 1HG PRO 46 -0.425 -15.632 -9.980 341 HG3 PRO 46 2HG PRO 46 0.883 -14.567 -10.456 342 HD2 PRO 46 1HD PRO 46 0.227 -15.393 -7.789 343 HD3 PRO 46 2HD PRO 46 1.460 -14.239 -8.255 344 H GLY 47 H GLY 47 -3.602 -11.582 -8.437 345 HA2 GLY 47 1HA GLY 47 -5.800 -12.095 -8.172 346 HA3 GLY 47 2HA GLY 47 -5.440 -13.797 -8.383 347 H SER 48 H SER 48 -3.808 -11.626 -6.026 348 HA SER 48 HA SER 48 -4.994 -13.281 -3.941 349 HB2 SER 48 1HB SER 48 -3.007 -12.773 -2.591 350 HB3 SER 48 2HB SER 48 -2.525 -13.448 -4.135 351 HG SER 48 HG SER 48 -1.830 -11.448 -4.852 352 H ILE 49 H ILE 49 -4.305 -9.977 -5.107 353 HA ILE 49 HA ILE 49 -5.792 -8.924 -2.805 354 HB ILE 49 HB ILE 49 -4.192 -7.165 -4.593 355 HG12 ILE 49 1HG1 ILE 49 -2.815 -9.261 -4.076 356 HG13 ILE 49 2HG1 ILE 49 -2.107 -7.705 -3.694 357 HG21 ILE 49 1HG2 ILE 49 -4.962 -5.786 -3.012 358 HG22 ILE 49 2HG2 ILE 49 -5.364 -7.120 -1.905 359 HG23 ILE 49 3HG2 ILE 49 -3.699 -6.495 -1.977 360 HD11 ILE 49 1HD1 ILE 49 -2.292 -8.015 -1.396 361 HD12 ILE 49 2HD1 ILE 49 -3.734 -9.048 -1.546 362 HD13 ILE 49 3HD1 ILE 49 -2.123 -9.710 -1.913 363 H ALA 50 H ALA 50 -6.556 -6.453 -3.881 364 HA ALA 50 HA ALA 50 -8.238 -7.271 -6.149 365 HB1 ALA 50 1HB ALA 50 -9.575 -5.278 -4.620 366 HB2 ALA 50 2HB ALA 50 -10.034 -6.984 -4.832 367 HB3 ALA 50 3HB ALA 50 -8.995 -6.505 -3.469 368 H LEU 51 H LEU 51 -5.908 -6.234 -6.879 369 HA LEU 51 HA LEU 51 -5.377 -3.592 -6.713 370 HB2 LEU 51 1HB LEU 51 -4.658 -5.778 -8.368 371 HB3 LEU 51 2HB LEU 51 -5.003 -4.425 -9.427 372 HG LEU 51 HG LEU 51 -2.944 -4.582 -7.222 373 HD11 LEU 51 1HD1 LEU 51 -2.659 -3.943 -10.170 374 HD12 LEU 51 2HD1 LEU 51 -1.350 -4.152 -8.982 375 HD13 LEU 51 3HD1 LEU 51 -2.370 -5.539 -9.435 376 HD21 LEU 51 1HD2 LEU 51 -3.246 -2.416 -6.812 377 HD22 LEU 51 2HD2 LEU 51 -2.621 -2.108 -8.450 378 HD23 LEU 51 3HD2 LEU 51 -4.375 -2.235 -8.176 379 H LYS 52 H LYS 52 -8.104 -5.150 -8.317 380 HA LYS 52 HA LYS 52 -8.774 -2.700 -9.722 381 HB2 LYS 52 1HB LYS 52 -9.371 -5.530 -10.005 382 HB3 LYS 52 2HB LYS 52 -10.840 -4.575 -10.030 383 HG2 LYS 52 1HG LYS 52 -8.490 -3.578 -11.637 384 HG3 LYS 52 2HG LYS 52 -9.366 -4.967 -12.249 385 HD2 LYS 52 1HD LYS 52 -10.454 -3.079 -13.229 386 HD3 LYS 52 2HD LYS 52 -11.525 -3.593 -11.941 387 HE2 LYS 52 1HE LYS 52 -10.857 -1.800 -10.502 388 HE3 LYS 52 2HE LYS 52 -9.402 -1.480 -11.424 389 HZ1 LYS 52 1HZ LYS 52 -10.953 -0.906 -13.291 390 HZ2 LYS 52 2HZ LYS 52 -12.165 -0.905 -12.197 391 HZ3 LYS 52 3HZ LYS 52 -10.923 0.142 -12.039 392 H LYS 53 H LYS 53 -8.606 -2.397 -6.909 393 HA LYS 53 HA LYS 53 -11.279 -1.489 -6.420 394 HB2 LYS 53 1HB LYS 53 -10.941 -4.045 -5.665 395 HB3 LYS 53 2HB LYS 53 -10.280 -3.265 -4.243 396 HG2 LYS 53 1HG LYS 53 -12.321 -2.086 -3.794 397 HG3 LYS 53 2HG LYS 53 -12.944 -2.374 -5.406 398 HD2 LYS 53 1HD LYS 53 -14.040 -3.850 -3.725 399 HD3 LYS 53 2HD LYS 53 -13.186 -4.781 -4.940 400 HE2 LYS 53 1HE LYS 53 -11.469 -5.414 -3.458 401 HE3 LYS 53 2HE LYS 53 -11.695 -4.016 -2.426 402 HZ1 LYS 53 1HZ LYS 53 -14.057 -5.420 -2.377 403 HZ2 LYS 53 2HZ LYS 53 -12.876 -6.536 -2.214 404 HZ3 LYS 53 3HZ LYS 53 -12.962 -5.282 -1.173 405 H VAL 54 H VAL 54 -7.957 -2.134 -5.161 406 HA VAL 54 HA VAL 54 -7.867 -0.318 -3.138 407 HB VAL 54 HB VAL 54 -6.103 -1.884 -3.636 408 HG11 VAL 54 1HG1 VAL 54 -5.289 -0.178 -6.001 409 HG12 VAL 54 2HG1 VAL 54 -4.663 -1.773 -5.520 410 HG13 VAL 54 3HG1 VAL 54 -6.318 -1.622 -6.159 411 HG21 VAL 54 1HG2 VAL 54 -5.735 0.607 -2.655 412 HG22 VAL 54 2HG2 VAL 54 -4.436 -0.604 -2.778 413 HG23 VAL 54 3HG2 VAL 54 -4.604 0.651 -4.029 414 H LYS 55 H LYS 55 -7.184 1.909 -2.957 415 HA LYS 55 HA LYS 55 -7.843 3.420 -5.383 416 HB2 LYS 55 1HB LYS 55 -8.246 3.955 -2.448 417 HB3 LYS 55 2HB LYS 55 -8.159 5.288 -3.583 418 HG2 LYS 55 1HG LYS 55 -9.963 2.951 -4.236 419 HG3 LYS 55 2HG LYS 55 -10.491 4.103 -3.027 420 HD2 LYS 55 1HD LYS 55 -10.993 5.663 -4.603 421 HD3 LYS 55 2HD LYS 55 -9.418 5.509 -5.355 422 HE2 LYS 55 1HE LYS 55 -10.394 3.236 -6.321 423 HE3 LYS 55 2HE LYS 55 -11.950 3.947 -5.940 424 HZ1 LYS 55 1HZ LYS 55 -10.050 5.597 -7.371 425 HZ2 LYS 55 2HZ LYS 55 -10.765 4.385 -8.200 426 HZ3 LYS 55 3HZ LYS 55 -11.677 5.541 -7.494 427 H PHE 56 H PHE 56 -5.917 3.685 -6.457 428 HA PHE 56 HA PHE 56 -3.517 4.190 -4.976 429 HB2 PHE 56 1HB PHE 56 -4.436 4.013 -7.886 430 HB3 PHE 56 2HB PHE 56 -2.829 4.620 -7.539 431 HD1 PHE 56 2HD PHE 56 -4.219 2.068 -5.350 432 HD2 PHE 56 1HD PHE 56 -1.876 2.754 -8.821 433 HE1 PHE 56 2HE PHE 56 -3.355 -0.286 -5.232 434 HE2 PHE 56 1HE PHE 56 -1.013 0.400 -8.703 435 HZ PHE 56 HZ PHE 56 -1.763 -1.092 -6.910 436 H GLN 57 H GLN 57 -6.001 6.065 -6.707 437 HA GLN 57 HA GLN 57 -4.349 8.433 -6.357 438 HB2 GLN 57 1HB GLN 57 -6.408 7.594 -8.327 439 HB3 GLN 57 2HB GLN 57 -6.563 9.258 -7.798 440 HG2 GLN 57 1HG GLN 57 -3.859 8.154 -8.639 441 HG3 GLN 57 2HG GLN 57 -5.002 8.715 -9.843 442 HE21 GLN 57 1HE2 GLN 57 -2.384 9.749 -9.066 443 HE22 GLN 57 2HE2 GLN 57 -2.596 11.408 -8.615 444 H ALA 58 H ALA 58 -5.266 7.503 -3.962 445 HA ALA 58 HA ALA 58 -7.832 8.708 -3.393 446 HB1 ALA 58 1HB ALA 58 -5.805 7.057 -1.866 447 HB2 ALA 58 2HB ALA 58 -7.155 7.864 -1.032 448 HB3 ALA 58 3HB ALA 58 -7.485 6.652 -2.292 449 H LYS 59 H LYS 59 -8.163 10.668 -2.390 450 HA LYS 59 HA LYS 59 -5.721 12.121 -1.639 451 HB2 LYS 59 1HB LYS 59 -7.903 12.815 -3.455 452 HB3 LYS 59 2HB LYS 59 -7.676 14.024 -2.208 453 HG2 LYS 59 1HG LYS 59 -5.624 14.666 -3.015 454 HG3 LYS 59 2HG LYS 59 -5.129 13.020 -3.357 455 HD2 LYS 59 1HD LYS 59 -5.379 14.400 -5.436 456 HD3 LYS 59 2HD LYS 59 -6.419 12.990 -5.438 457 HE2 LYS 59 1HE LYS 59 -8.142 14.410 -5.874 458 HE3 LYS 59 2HE LYS 59 -8.021 14.923 -4.202 459 HZ1 LYS 59 1HZ LYS 59 -7.563 16.891 -5.069 460 HZ2 LYS 59 2HZ LYS 59 -6.074 16.319 -5.420 461 HZ3 LYS 59 3HZ LYS 59 -7.245 16.303 -6.559 462 H LEU 60 H LEU 60 -8.422 10.507 -0.494 463 HA LEU 60 HA LEU 60 -8.579 12.305 1.826 464 HB2 LEU 60 1HB LEU 60 -10.748 10.376 1.081 465 HB3 LEU 60 2HB LEU 60 -10.828 11.800 2.099 466 HG LEU 60 HG LEU 60 -10.540 11.772 -0.918 467 HD11 LEU 60 1HD1 LEU 60 -12.821 13.013 -0.626 468 HD12 LEU 60 2HD1 LEU 60 -12.753 11.235 -0.566 469 HD13 LEU 60 3HD1 LEU 60 -12.858 12.173 0.943 470 HD21 LEU 60 1HD2 LEU 60 -10.018 13.867 1.051 471 HD22 LEU 60 2HD2 LEU 60 -9.612 13.785 -0.680 472 HD23 LEU 60 3HD2 LEU 60 -11.223 14.342 -0.170 473 H GLU 61 H GLU 61 -9.006 11.149 3.927 474 HA GLU 61 HA GLU 61 -7.133 9.051 4.142 475 HB2 GLU 61 1HB GLU 61 -8.476 10.897 5.892 476 HB3 GLU 61 2HB GLU 61 -8.749 9.284 6.520 477 HG2 GLU 61 1HG GLU 61 -6.361 8.819 6.603 478 HG3 GLU 61 2HG GLU 61 -5.983 10.269 5.694 479 H HIS 62 H HIS 62 -10.722 9.285 4.686 480 HA HIS 62 HA HIS 62 -11.311 6.795 5.418 481 HB2 HIS 62 1HB HIS 62 -13.482 7.107 4.490 482 HB3 HIS 62 2HB HIS 62 -12.904 8.669 5.035 483 HD1 HIS 62 1HD HIS 62 -14.164 6.894 2.055 484 HD2 HIS 62 2HD HIS 62 -12.049 10.428 2.853 485 HE1 HIS 62 1HE HIS 62 -14.308 8.308 -0.064 486 H GLU 63 H GLU 63 -10.267 7.850 2.164 487 HA GLU 63 HA GLU 63 -10.910 5.467 0.877 488 HB2 GLU 63 1HB GLU 63 -8.660 7.382 0.135 489 HB3 GLU 63 2HB GLU 63 -9.524 6.303 -0.942 490 HG2 GLU 63 1HG GLU 63 -11.339 8.093 0.553 491 HG3 GLU 63 2HG GLU 63 -10.178 8.978 -0.416 492 H TYR 64 H TYR 64 -7.666 6.719 1.972 493 HA TYR 64 HA TYR 64 -6.051 4.692 1.445 494 HB2 TYR 64 1HB TYR 64 -6.445 6.058 4.181 495 HB3 TYR 64 2HB TYR 64 -4.942 5.334 3.644 496 HD1 TYR 64 2HD TYR 64 -5.862 6.599 0.686 497 HD2 TYR 64 1HD TYR 64 -4.865 8.059 4.582 498 HE1 TYR 64 2HE TYR 64 -5.152 8.823 -0.321 499 HE2 TYR 64 1HE TYR 64 -4.159 10.278 3.562 500 HH TYR 64 HH TYR 64 -4.365 11.552 1.712 501 H ILE 65 H ILE 65 -8.116 4.773 4.441 502 HA ILE 65 HA ILE 65 -7.446 2.445 5.572 503 HB ILE 65 HB ILE 65 -10.038 3.899 5.293 504 HG12 ILE 65 1HG1 ILE 65 -9.403 3.515 7.969 505 HG13 ILE 65 2HG1 ILE 65 -7.833 3.689 7.209 506 HG21 ILE 65 1HG2 ILE 65 -10.811 2.185 7.144 507 HG22 ILE 65 2HG2 ILE 65 -11.063 1.856 5.413 508 HG23 ILE 65 3HG2 ILE 65 -9.705 1.094 6.275 509 HD11 ILE 65 1HD1 ILE 65 -8.249 5.870 6.501 510 HD12 ILE 65 2HD1 ILE 65 -10.007 5.610 6.391 511 HD13 ILE 65 3HD1 ILE 65 -9.237 5.828 7.981 512 H GLN 66 H GLN 66 -10.174 2.657 3.173 513 HA GLN 66 HA GLN 66 -10.629 0.052 2.864 514 HB2 GLN 66 1HB GLN 66 -10.659 2.317 0.848 515 HB3 GLN 66 2HB GLN 66 -11.137 0.700 0.372 516 HG2 GLN 66 1HG GLN 66 -12.554 1.003 2.731 517 HG3 GLN 66 2HG GLN 66 -12.542 2.649 2.131 518 HE21 GLN 66 1HE2 GLN 66 -14.884 1.345 2.346 519 HE22 GLN 66 2HE2 GLN 66 -15.546 0.946 0.796 520 H ASN 67 H ASN 67 -8.182 1.955 0.962 521 HA ASN 67 HA ASN 67 -7.230 0.120 -0.671 522 HB2 ASN 67 1HB ASN 67 -5.359 1.800 1.072 523 HB3 ASN 67 2HB ASN 67 -5.065 1.265 -0.571 524 HD21 ASN 67 1HD2 ASN 67 -4.680 3.488 -1.041 525 HD22 ASN 67 2HD2 ASN 67 -5.988 4.576 -1.368 526 H PHE 68 H PHE 68 -6.148 0.588 2.781 527 HA PHE 68 HA PHE 68 -4.428 -1.619 2.813 528 HB2 PHE 68 1HB PHE 68 -6.012 -0.030 4.912 529 HB3 PHE 68 2HB PHE 68 -4.865 -1.269 5.381 530 HD1 PHE 68 1HD PHE 68 -2.437 -0.981 4.713 531 HD2 PHE 68 2HD PHE 68 -5.286 2.145 4.372 532 HE1 PHE 68 1HE PHE 68 -0.578 0.702 4.613 533 HE2 PHE 68 2HE PHE 68 -3.427 3.828 4.273 534 HZ PHE 68 HZ PHE 68 -1.095 3.087 4.395 535 H LYS 69 H LYS 69 -7.888 -1.197 3.774 536 HA LYS 69 HA LYS 69 -8.359 -3.542 5.031 537 HB2 LYS 69 1HB LYS 69 -10.161 -2.159 3.020 538 HB3 LYS 69 2HB LYS 69 -10.678 -3.339 4.208 539 HG2 LYS 69 1HG LYS 69 -9.368 -1.622 5.867 540 HG3 LYS 69 2HG LYS 69 -9.816 -0.490 4.607 541 HD2 LYS 69 1HD LYS 69 -11.909 -0.391 5.466 542 HD3 LYS 69 2HD LYS 69 -12.136 -2.083 5.068 543 HE2 LYS 69 1HE LYS 69 -10.633 -2.324 7.358 544 HE3 LYS 69 2HE LYS 69 -11.471 -0.824 7.698 545 HZ1 LYS 69 1HZ LYS 69 -12.823 -2.566 8.439 546 HZ2 LYS 69 2HZ LYS 69 -13.538 -2.026 7.074 547 HZ3 LYS 69 3HZ LYS 69 -12.681 -3.415 7.051 548 H ILE 70 H ILE 70 -8.009 -2.982 1.494 549 HA ILE 70 HA ILE 70 -8.679 -5.658 0.825 550 HB ILE 70 HB ILE 70 -7.298 -3.453 -0.706 551 HG12 ILE 70 1HG1 ILE 70 -10.137 -4.446 -1.011 552 HG13 ILE 70 2HG1 ILE 70 -9.715 -3.157 0.098 553 HG21 ILE 70 1HG2 ILE 70 -8.197 -6.204 -1.568 554 HG22 ILE 70 2HG2 ILE 70 -7.999 -4.855 -2.713 555 HG23 ILE 70 3HG2 ILE 70 -6.605 -5.435 -1.770 556 HD11 ILE 70 1HD1 ILE 70 -8.939 -1.731 -1.666 557 HD12 ILE 70 2HD1 ILE 70 -8.884 -3.077 -2.829 558 HD13 ILE 70 3HD1 ILE 70 -10.452 -2.448 -2.269 559 H LEU 71 H LEU 71 -5.549 -3.819 0.982 560 HA LEU 71 HA LEU 71 -3.869 -5.869 0.342 561 HB2 LEU 71 1HB LEU 71 -3.193 -3.556 0.582 562 HB3 LEU 71 2HB LEU 71 -3.479 -3.612 2.310 563 HG LEU 71 HG LEU 71 -1.055 -3.827 1.318 564 HD11 LEU 71 1HD1 LEU 71 -2.336 -5.001 3.707 565 HD12 LEU 71 2HD1 LEU 71 -0.719 -5.632 3.315 566 HD13 LEU 71 3HD1 LEU 71 -0.957 -3.886 3.564 567 HD21 LEU 71 1HD2 LEU 71 -0.279 -5.978 0.796 568 HD22 LEU 71 2HD2 LEU 71 -1.764 -6.759 1.392 569 HD23 LEU 71 3HD2 LEU 71 -1.799 -5.809 -0.114 570 H GLN 72 H GLN 72 -5.163 -5.007 3.618 571 HA GLN 72 HA GLN 72 -3.846 -6.850 5.073 572 HB2 GLN 72 1HB GLN 72 -6.081 -5.145 5.419 573 HB3 GLN 72 2HB GLN 72 -6.648 -6.732 5.899 574 HG2 GLN 72 1HG GLN 72 -3.958 -5.756 6.894 575 HG3 GLN 72 2HG GLN 72 -5.420 -5.165 7.658 576 HE21 GLN 72 1HE2 GLN 72 -3.207 -7.727 7.332 577 HE22 GLN 72 2HE2 GLN 72 -3.963 -8.894 8.365 578 H ALA 73 H ALA 73 -6.663 -7.332 2.911 579 HA ALA 73 HA ALA 73 -7.217 -9.968 3.759 580 HB1 ALA 73 1HB ALA 73 -8.745 -9.988 1.943 581 HB2 ALA 73 2HB ALA 73 -8.699 -8.291 2.479 582 HB3 ALA 73 3HB ALA 73 -7.800 -8.791 1.026 583 H GLY 74 H GLY 74 -4.931 -8.479 1.472 584 HA2 GLY 74 1HA GLY 74 -4.295 -10.631 -0.138 585 HA3 GLY 74 2HA GLY 74 -3.199 -9.347 0.333 586 H PHE 75 H PHE 75 -3.462 -9.977 3.277 587 HA PHE 75 HA PHE 75 -1.434 -12.008 3.312 588 HB2 PHE 75 1HB PHE 75 -2.903 -10.233 5.338 589 HB3 PHE 75 2HB PHE 75 -1.737 -11.426 5.874 590 HD1 PHE 75 1HD PHE 75 -0.760 -10.158 2.730 591 HD2 PHE 75 2HD PHE 75 -0.786 -9.202 6.865 592 HE1 PHE 75 1HE PHE 75 1.096 -8.509 2.361 593 HE2 PHE 75 2HE PHE 75 1.070 -7.553 6.495 594 HZ PHE 75 HZ PHE 75 1.989 -7.227 4.248 595 H LYS 76 H LYS 76 -4.830 -11.591 4.478 596 HA LYS 76 HA LYS 76 -4.877 -14.166 5.695 597 HB2 LYS 76 1HB LYS 76 -6.999 -13.606 6.399 598 HB3 LYS 76 2HB LYS 76 -6.260 -12.026 6.234 599 HG2 LYS 76 1HG LYS 76 -7.976 -11.472 4.855 600 HG3 LYS 76 2HG LYS 76 -7.264 -12.539 3.661 601 HD2 LYS 76 1HD LYS 76 -9.196 -13.736 3.778 602 HD3 LYS 76 2HD LYS 76 -8.610 -14.332 5.319 603 HE2 LYS 76 1HE LYS 76 -9.777 -11.696 5.706 604 HE3 LYS 76 2HE LYS 76 -10.915 -12.701 4.831 605 HZ1 LYS 76 1HZ LYS 76 -10.650 -14.379 6.532 606 HZ2 LYS 76 2HZ LYS 76 -9.588 -13.443 7.347 607 HZ3 LYS 76 3HZ LYS 76 -11.144 -12.970 7.193 608 H ARG 77 H ARG 77 -4.727 -13.177 2.486 609 HA ARG 77 HA ARG 77 -6.574 -15.144 1.528 610 HB2 ARG 77 1HB ARG 77 -4.761 -13.076 0.240 611 HB3 ARG 77 2HB ARG 77 -5.447 -14.351 -0.748 612 HG2 ARG 77 1HG ARG 77 -7.540 -13.258 0.937 613 HG3 ARG 77 2HG ARG 77 -6.714 -11.933 0.142 614 HD2 ARG 77 1HD ARG 77 -7.328 -12.644 -2.005 615 HD3 ARG 77 2HD ARG 77 -7.411 -14.333 -1.544 616 HE ARG 77 HE ARG 77 -9.452 -13.155 -0.070 617 HH11 ARG 77 2HH2 ARG 77 -8.625 -13.259 -3.489 618 HH12 ARG 77 1HH2 ARG 77 -10.268 -13.122 -4.021 619 HH21 ARG 77 2HH1 ARG 77 -11.619 -12.974 -0.772 620 HH22 ARG 77 1HH1 ARG 77 -11.982 -12.959 -2.466 621 H MET 78 H MET 78 -3.014 -14.525 1.658 622 HA MET 78 HA MET 78 -2.514 -17.070 0.416 623 HB2 MET 78 1HB MET 78 -0.845 -14.699 1.351 624 HB3 MET 78 2HB MET 78 -0.046 -16.218 0.998 625 HG2 MET 78 1HG MET 78 -1.841 -14.689 -0.950 626 HG3 MET 78 2HG MET 78 -0.089 -14.694 -0.989 627 HE1 MET 78 1HE MET 78 -2.970 -16.511 -2.965 628 HE2 MET 78 2HE MET 78 -1.827 -15.166 -3.196 629 HE3 MET 78 3HE MET 78 -1.535 -16.730 -3.994 630 H GLY 79 H GLY 79 -1.176 -15.450 3.391 631 HA2 GLY 79 1HA GLY 79 -1.987 -17.148 5.333 632 HA3 GLY 79 2HA GLY 79 -0.652 -18.017 4.603 633 H VAL 80 H VAL 80 -1.480 -14.659 5.734 634 HA VAL 80 HA VAL 80 1.146 -14.605 7.032 635 HB VAL 80 HB VAL 80 -0.097 -12.427 5.342 636 HG11 VAL 80 1HG1 VAL 80 2.291 -11.408 5.864 637 HG12 VAL 80 2HG1 VAL 80 0.920 -11.165 6.973 638 HG13 VAL 80 3HG1 VAL 80 2.145 -12.406 7.330 639 HG21 VAL 80 1HG2 VAL 80 0.920 -14.050 3.917 640 HG22 VAL 80 2HG2 VAL 80 2.057 -12.687 4.041 641 HG23 VAL 80 3HG2 VAL 80 2.350 -14.177 4.969 642 H ASP 81 H ASP 81 0.686 -14.597 9.173 643 HA ASP 81 HA ASP 81 -1.795 -13.477 10.036 644 HB2 ASP 81 1HB ASP 81 -0.418 -15.575 10.940 645 HB3 ASP 81 2HB ASP 81 0.421 -14.370 11.896 646 H LYS 82 H LYS 82 -1.016 -11.233 9.178 647 HA LYS 82 HA LYS 82 0.588 -9.932 11.268 648 HB2 LYS 82 1HB LYS 82 2.012 -9.903 9.417 649 HB3 LYS 82 2HB LYS 82 0.706 -9.663 8.274 650 HG2 LYS 82 1HG LYS 82 1.800 -7.536 8.454 651 HG3 LYS 82 2HG LYS 82 0.308 -7.372 9.358 652 HD2 LYS 82 1HD LYS 82 1.478 -7.704 11.485 653 HD3 LYS 82 2HD LYS 82 2.967 -8.116 10.659 654 HE2 LYS 82 1HE LYS 82 2.982 -5.793 9.633 655 HE3 LYS 82 2HE LYS 82 1.569 -5.399 10.592 656 HZ1 LYS 82 1HZ LYS 82 2.804 -5.206 12.409 657 HZ2 LYS 82 2HZ LYS 82 3.700 -6.537 12.109 658 HZ3 LYS 82 3HZ LYS 82 4.091 -5.115 11.408 659 H ILE 83 H ILE 83 -0.300 -8.134 12.223 660 HA ILE 83 HA ILE 83 -2.990 -7.460 11.295 661 HB ILE 83 HB ILE 83 -1.617 -6.992 13.944 662 HG12 ILE 83 1HG1 ILE 83 -2.333 -9.384 13.170 663 HG13 ILE 83 2HG1 ILE 83 -2.700 -8.833 14.792 664 HG21 ILE 83 1HG2 ILE 83 -4.181 -6.577 14.517 665 HG22 ILE 83 2HG2 ILE 83 -3.105 -5.270 13.969 666 HG23 ILE 83 3HG2 ILE 83 -4.213 -6.053 12.817 667 HD11 ILE 83 1HD1 ILE 83 -4.746 -8.195 12.700 668 HD12 ILE 83 2HD1 ILE 83 -4.571 -9.909 13.149 669 HD13 ILE 83 3HD1 ILE 83 -4.969 -8.699 14.392 670 H ILE 84 H ILE 84 -2.961 -5.844 9.811 671 HA ILE 84 HA ILE 84 -0.878 -3.883 9.860 672 HB ILE 84 HB ILE 84 -3.342 -4.273 8.167 673 HG12 ILE 84 1HG1 ILE 84 -0.391 -4.776 7.714 674 HG13 ILE 84 2HG1 ILE 84 -1.679 -5.962 7.778 675 HG21 ILE 84 1HG2 ILE 84 -2.907 -2.393 6.939 676 HG22 ILE 84 2HG2 ILE 84 -2.422 -1.828 8.555 677 HG23 ILE 84 3HG2 ILE 84 -1.185 -2.356 7.389 678 HD11 ILE 84 1HD1 ILE 84 -2.709 -4.470 5.805 679 HD12 ILE 84 2HD1 ILE 84 -1.005 -4.000 5.596 680 HD13 ILE 84 3HD1 ILE 84 -1.478 -5.711 5.473 681 HA PRO 85 HA PRO 85 -2.921 -1.033 12.386 682 HB2 PRO 85 1HB PRO 85 -1.489 1.223 11.815 683 HB3 PRO 85 2HB PRO 85 -0.936 -0.003 12.937 684 HG2 PRO 85 1HG PRO 85 -0.014 0.537 10.181 685 HG3 PRO 85 2HG PRO 85 0.786 -0.372 11.448 686 HD2 PRO 85 1HD PRO 85 -0.605 -1.446 9.180 687 HD3 PRO 85 2HD PRO 85 0.095 -2.353 10.507 688 H VAL 86 H VAL 86 -2.169 0.519 9.294 689 HA VAL 86 HA VAL 86 -3.465 1.605 7.871 690 HB VAL 86 HB VAL 86 -5.750 0.212 9.283 691 HG11 VAL 86 1HG1 VAL 86 -6.703 1.966 8.017 692 HG12 VAL 86 2HG1 VAL 86 -5.574 1.716 6.663 693 HG13 VAL 86 3HG1 VAL 86 -6.849 0.518 6.992 694 HG21 VAL 86 1HG2 VAL 86 -5.559 -1.314 7.217 695 HG22 VAL 86 2HG2 VAL 86 -3.929 -0.626 7.022 696 HG23 VAL 86 3HG2 VAL 86 -4.350 -1.510 8.509 697 H ASP 87 H ASP 87 -5.803 1.604 10.631 698 HA ASP 87 HA ASP 87 -6.584 4.115 10.494 699 HB2 ASP 87 1HB ASP 87 -6.872 2.125 12.330 700 HB3 ASP 87 2HB ASP 87 -5.843 3.197 13.259 701 H LYS 88 H LYS 88 -3.420 2.913 11.584 702 HA LYS 88 HA LYS 88 -2.651 5.464 12.700 703 HB2 LYS 88 1HB LYS 88 -0.876 3.060 12.250 704 HB3 LYS 88 2HB LYS 88 -0.665 4.369 13.396 705 HG2 LYS 88 1HG LYS 88 -2.698 3.647 14.632 706 HG3 LYS 88 2HG LYS 88 -2.979 2.374 13.461 707 HD2 LYS 88 1HD LYS 88 -1.834 1.150 15.069 708 HD3 LYS 88 2HD LYS 88 -0.474 1.671 14.095 709 HE2 LYS 88 1HE LYS 88 0.333 2.393 16.131 710 HE3 LYS 88 2HE LYS 88 -0.619 3.815 15.756 711 HZ1 LYS 88 1HZ LYS 88 -2.439 2.846 16.994 712 HZ2 LYS 88 2HZ LYS 88 -1.547 1.525 17.347 713 HZ3 LYS 88 3HZ LYS 88 -1.114 2.984 17.938 714 H LEU 89 H LEU 89 -1.902 3.389 9.837 715 HA LEU 89 HA LEU 89 -0.012 5.173 8.763 716 HB2 LEU 89 1HB LEU 89 -1.692 3.180 7.249 717 HB3 LEU 89 2HB LEU 89 -0.121 3.818 6.808 718 HG LEU 89 HG LEU 89 -0.566 2.134 9.282 719 HD11 LEU 89 1HD1 LEU 89 -1.239 0.701 7.535 720 HD12 LEU 89 2HD1 LEU 89 0.057 1.271 6.455 721 HD13 LEU 89 3HD1 LEU 89 0.456 0.278 7.877 722 HD21 LEU 89 1HD2 LEU 89 1.887 1.731 9.044 723 HD22 LEU 89 2HD2 LEU 89 1.914 2.951 7.748 724 HD23 LEU 89 3HD2 LEU 89 1.452 3.420 9.401 725 H VAL 90 H VAL 90 -3.497 4.561 7.927 726 HA VAL 90 HA VAL 90 -3.745 6.517 6.024 727 HB VAL 90 HB VAL 90 -6.092 6.362 6.400 728 HG11 VAL 90 1HG1 VAL 90 -4.393 4.058 6.227 729 HG12 VAL 90 2HG1 VAL 90 -5.848 3.630 7.157 730 HG13 VAL 90 3HG1 VAL 90 -6.007 4.315 5.522 731 HG21 VAL 90 1HG2 VAL 90 -5.280 5.656 9.183 732 HG22 VAL 90 2HG2 VAL 90 -6.631 6.657 8.599 733 HG23 VAL 90 3HG2 VAL 90 -6.746 4.882 8.535 734 H LYS 91 H LYS 91 -3.645 6.775 9.581 735 HA LYS 91 HA LYS 91 -4.535 9.480 9.610 736 HB2 LYS 91 1HB LYS 91 -3.352 7.588 11.634 737 HB3 LYS 91 2HB LYS 91 -3.537 9.289 12.009 738 HG2 LYS 91 1HG LYS 91 -5.830 7.577 10.948 739 HG3 LYS 91 2HG LYS 91 -5.508 7.773 12.660 740 HD2 LYS 91 1HD LYS 91 -5.657 10.300 11.051 741 HD3 LYS 91 2HD LYS 91 -7.162 9.424 11.248 742 HE2 LYS 91 1HE LYS 91 -6.674 9.357 13.770 743 HE3 LYS 91 2HE LYS 91 -5.339 10.451 13.470 744 HZ1 LYS 91 1HZ LYS 91 -8.183 10.949 13.246 745 HZ2 LYS 91 2HZ LYS 91 -7.007 11.902 13.860 746 HZ3 LYS 91 3HZ LYS 91 -7.192 11.771 12.242 747 H GLY 92 H GLY 92 -1.492 7.798 9.058 748 HA2 GLY 92 1HA GLY 92 0.314 8.840 8.018 749 HA3 GLY 92 2HA GLY 92 -0.200 10.395 8.640 750 H LYS 93 H LYS 93 0.230 7.241 10.378 751 HA LYS 93 HA LYS 93 1.770 8.618 12.387 752 HB2 LYS 93 1HB LYS 93 0.627 5.839 12.108 753 HB3 LYS 93 2HB LYS 93 1.765 6.231 13.382 754 HG2 LYS 93 1HG LYS 93 -0.534 8.129 12.995 755 HG3 LYS 93 2HG LYS 93 -0.917 6.553 13.659 756 HD2 LYS 93 1HD LYS 93 1.146 7.039 15.268 757 HD3 LYS 93 2HD LYS 93 0.868 8.709 14.815 758 HE2 LYS 93 1HE LYS 93 -1.681 7.454 15.451 759 HE3 LYS 93 2HE LYS 93 -0.553 7.169 16.762 760 HZ1 LYS 93 1HZ LYS 93 -1.355 9.206 17.286 761 HZ2 LYS 93 2HZ LYS 93 -0.060 9.671 16.406 762 HZ3 LYS 93 3HZ LYS 93 -1.550 9.694 15.739 763 H PHE 94 H PHE 94 3.449 9.218 10.681 764 HA PHE 94 HA PHE 94 5.001 7.662 9.234 765 HB2 PHE 94 1HB PHE 94 6.148 9.668 9.320 766 HB3 PHE 94 2HB PHE 94 5.191 10.131 10.713 767 HD1 PHE 94 2HD PHE 94 8.047 7.810 10.031 768 HD2 PHE 94 1HD PHE 94 6.408 10.822 12.531 769 HE1 PHE 94 2HE PHE 94 10.104 7.736 11.468 770 HE2 PHE 94 1HE PHE 94 8.465 10.748 13.968 771 HZ PHE 94 HZ PHE 94 10.288 9.206 13.420 772 H GLN 95 H GLN 95 5.289 7.951 12.836 773 HA GLN 95 HA GLN 95 7.493 6.338 13.096 774 HB2 GLN 95 1HB GLN 95 6.630 7.727 14.923 775 HB3 GLN 95 2HB GLN 95 5.151 6.791 14.994 776 HG2 GLN 95 1HG GLN 95 6.318 4.822 15.787 777 HG3 GLN 95 2HG GLN 95 7.885 5.512 15.411 778 HE21 GLN 95 1HE2 GLN 95 8.957 6.059 17.136 779 HE22 GLN 95 2HE2 GLN 95 8.335 6.775 18.585 780 H ASP 96 H ASP 96 3.984 5.439 13.478 781 HA ASP 96 HA ASP 96 4.596 2.709 13.681 782 HB2 ASP 96 1HB ASP 96 2.315 4.397 13.953 783 HB3 ASP 96 2HB ASP 96 1.893 3.245 12.702 784 H ASN 97 H ASN 97 4.804 4.856 11.099 785 HA ASN 97 HA ASN 97 3.718 3.069 9.126 786 HB2 ASN 97 1HB ASN 97 4.131 5.874 9.296 787 HB3 ASN 97 2HB ASN 97 5.291 5.339 8.097 788 HD21 ASN 97 1HD2 ASN 97 2.117 6.196 8.710 789 HD22 ASN 97 2HD2 ASN 97 1.358 5.655 7.249 790 H PHE 98 H PHE 98 6.849 4.505 10.243 791 HA PHE 98 HA PHE 98 8.402 3.199 8.259 792 HB2 PHE 98 1HB PHE 98 8.874 5.349 9.648 793 HB3 PHE 98 2HB PHE 98 9.169 4.304 11.024 794 HD1 PHE 98 2HD PHE 98 10.901 2.301 10.424 795 HD2 PHE 98 1HD PHE 98 10.733 6.090 8.520 796 HE1 PHE 98 2HE PHE 98 13.299 2.055 9.723 797 HE2 PHE 98 1HE PHE 98 13.131 5.844 7.819 798 HZ PHE 98 HZ PHE 98 14.385 3.829 8.429 799 H GLU 99 H GLU 99 7.318 2.443 11.579 800 HA GLU 99 HA GLU 99 9.139 0.260 11.789 801 HB2 GLU 99 1HB GLU 99 6.753 1.016 13.534 802 HB3 GLU 99 2HB GLU 99 7.978 -0.167 13.947 803 HG2 GLU 99 1HG GLU 99 9.735 1.631 13.799 804 HG3 GLU 99 2HG GLU 99 8.483 2.805 13.445 805 H PHE 100 H PHE 100 6.252 0.801 10.107 806 HA PHE 100 HA PHE 100 5.324 -1.943 10.440 807 HB2 PHE 100 1HB PHE 100 3.572 -0.272 10.538 808 HB3 PHE 100 2HB PHE 100 4.302 0.685 9.265 809 HD1 PHE 100 1HD PHE 100 4.177 -0.144 6.893 810 HD2 PHE 100 2HD PHE 100 1.978 -1.950 10.041 811 HE1 PHE 100 1HE PHE 100 2.651 -1.216 5.212 812 HE2 PHE 100 2HE PHE 100 0.452 -3.021 8.361 813 HZ PHE 100 HZ PHE 100 0.807 -2.641 5.967 814 H VAL 101 H VAL 101 6.836 0.301 8.113 815 HA VAL 101 HA VAL 101 6.486 -1.501 5.908 816 HB VAL 101 HB VAL 101 6.485 0.901 5.592 817 HG11 VAL 101 1HG1 VAL 101 9.355 1.358 5.944 818 HG12 VAL 101 2HG1 VAL 101 7.965 2.326 6.489 819 HG13 VAL 101 3HG1 VAL 101 8.528 0.950 7.466 820 HG21 VAL 101 1HG2 VAL 101 7.198 -0.384 3.695 821 HG22 VAL 101 2HG2 VAL 101 8.244 1.052 3.799 822 HG23 VAL 101 3HG2 VAL 101 8.849 -0.531 4.342 823 H GLN 102 H GLN 102 8.970 -0.715 8.357 824 HA GLN 102 HA GLN 102 11.085 -1.979 7.114 825 HB2 GLN 102 1HB GLN 102 12.185 -1.867 9.250 826 HB3 GLN 102 2HB GLN 102 11.167 -0.446 9.135 827 HG2 GLN 102 1HG GLN 102 9.547 -1.321 10.645 828 HG3 GLN 102 2HG GLN 102 10.090 -2.973 10.423 829 HE21 GLN 102 1HE2 GLN 102 11.432 0.194 11.365 830 HE22 GLN 102 2HE2 GLN 102 12.353 -0.355 12.725 831 H TRP 103 H TRP 103 8.286 -3.234 8.879 832 HA TRP 103 HA TRP 103 9.460 -5.833 9.263 833 HB2 TRP 103 1HB TRP 103 7.964 -5.106 10.939 834 HB3 TRP 103 2HB TRP 103 6.740 -4.646 9.773 835 HD1 TRP 103 HD TRP 103 7.975 -7.668 11.725 836 HE1 TRP 103 1HE TRP 103 6.429 -9.776 11.367 837 HE3 TRP 103 3HE TRP 103 5.265 -5.685 7.908 838 HZ2 TRP 103 2HZ TRP 103 4.294 -10.364 9.567 839 HZ3 TRP 103 3HZ TRP 103 3.468 -7.092 6.905 840 HH2 TRP 103 HH TRP 103 2.965 -9.357 7.675 841 H PHE 104 H PHE 104 6.921 -4.265 7.197 842 HA PHE 104 HA PHE 104 6.089 -6.439 5.791 843 HB2 PHE 104 1HB PHE 104 6.240 -3.505 5.564 844 HB3 PHE 104 2HB PHE 104 6.419 -4.225 3.976 845 HD1 PHE 104 2HD PHE 104 4.206 -4.282 6.968 846 HD2 PHE 104 1HD PHE 104 4.533 -4.886 2.780 847 HE1 PHE 104 2HE PHE 104 1.717 -4.565 6.814 848 HE2 PHE 104 1HE PHE 104 2.044 -5.169 2.627 849 HZ PHE 104 HZ PHE 104 0.666 -5.005 4.646 850 H LYS 105 H LYS 105 8.721 -4.149 4.743 851 HA LYS 105 HA LYS 105 9.526 -5.363 2.492 852 HB2 LYS 105 1HB LYS 105 10.471 -3.283 3.335 853 HB3 LYS 105 2HB LYS 105 11.267 -4.129 4.646 854 HG2 LYS 105 1HG LYS 105 12.846 -5.146 3.228 855 HG3 LYS 105 2HG LYS 105 11.803 -5.056 1.822 856 HD2 LYS 105 1HD LYS 105 12.291 -2.781 1.426 857 HD3 LYS 105 2HD LYS 105 12.745 -2.478 3.091 858 HE2 LYS 105 1HE LYS 105 14.719 -2.531 1.529 859 HE3 LYS 105 2HE LYS 105 14.842 -3.704 2.825 860 HZ1 LYS 105 1HZ LYS 105 14.813 -4.176 0.093 861 HZ2 LYS 105 2HZ LYS 105 14.978 -5.263 1.301 862 HZ3 LYS 105 3HZ LYS 105 13.493 -4.900 0.725 863 H LYS 106 H LYS 106 10.827 -6.187 5.788 864 HA LYS 106 HA LYS 106 12.439 -8.239 5.127 865 HB2 LYS 106 1HB LYS 106 10.604 -7.920 7.514 866 HB3 LYS 106 2HB LYS 106 11.803 -9.192 7.396 867 HG2 LYS 106 1HG LYS 106 12.479 -6.233 7.076 868 HG3 LYS 106 2HG LYS 106 12.567 -7.073 8.611 869 HD2 LYS 106 1HD LYS 106 14.729 -7.505 7.985 870 HD3 LYS 106 2HD LYS 106 14.011 -8.805 7.055 871 HE2 LYS 106 1HE LYS 106 14.679 -7.840 5.114 872 HE3 LYS 106 2HE LYS 106 13.795 -6.377 5.500 873 HZ1 LYS 106 1HZ LYS 106 16.370 -6.386 5.285 874 HZ2 LYS 106 2HZ LYS 106 15.630 -5.419 6.373 875 HZ3 LYS 106 3HZ LYS 106 16.316 -6.819 6.858 876 H PHE 107 H PHE 107 8.910 -8.614 5.929 877 HA PHE 107 HA PHE 107 8.635 -11.247 5.436 878 HB2 PHE 107 1HB PHE 107 7.018 -9.065 5.906 879 HB3 PHE 107 2HB PHE 107 6.626 -9.335 4.220 880 HD1 PHE 107 1HD PHE 107 5.774 -11.644 3.546 881 HD2 PHE 107 2HD PHE 107 6.030 -10.372 7.586 882 HE1 PHE 107 1HE PHE 107 4.140 -13.428 4.211 883 HE2 PHE 107 2HE PHE 107 4.396 -12.157 8.251 884 HZ PHE 107 HZ PHE 107 3.470 -13.664 6.556 885 H PHE 108 H PHE 108 9.075 -8.636 3.044 886 HA PHE 108 HA PHE 108 8.489 -10.451 0.866 887 HB2 PHE 108 1HB PHE 108 9.020 -7.516 1.368 888 HB3 PHE 108 2HB PHE 108 9.470 -8.105 -0.220 889 HD1 PHE 108 2HD PHE 108 6.558 -8.790 2.024 890 HD2 PHE 108 1HD PHE 108 7.902 -7.474 -1.779 891 HE1 PHE 108 2HE PHE 108 4.177 -8.557 1.264 892 HE2 PHE 108 1HE PHE 108 5.521 -7.241 -2.540 893 HZ PHE 108 HZ PHE 108 3.687 -7.785 -1.009 894 H ASP 109 H ASP 109 11.106 -8.009 0.856 895 HA ASP 109 HA ASP 109 13.228 -8.135 0.436 896 HB2 ASP 109 1HB ASP 109 13.803 -9.342 2.347 897 HB3 ASP 109 2HB ASP 109 12.777 -10.700 1.929 898 H SER 110 H SER 110 14.029 -8.296 -1.666 899 HA SER 110 HA SER 110 12.915 -10.297 -3.366 900 HB2 SER 110 1HB SER 110 13.679 -8.990 -5.135 901 HB3 SER 110 2HB SER 110 13.502 -7.774 -3.885 902 HG SER 110 HG SER 110 15.604 -7.401 -3.963 903 H GLY 111 H GLY 111 13.883 -12.226 -3.937 904 HA2 GLY 111 1HA GLY 111 16.095 -13.149 -4.656 905 HA3 GLY 111 2HA GLY 111 16.699 -12.594 -3.107 906 HA PRO 112 HA PRO 112 14.368 -16.686 -2.797 907 HB2 PRO 112 1HB PRO 112 15.970 -18.591 -3.926 908 HB3 PRO 112 2HB PRO 112 14.585 -17.896 -4.744 909 HG2 PRO 112 1HG PRO 112 17.459 -17.372 -5.196 910 HG3 PRO 112 2HG PRO 112 16.102 -17.032 -6.251 911 HD2 PRO 112 1HD PRO 112 17.536 -15.143 -4.639 912 HD3 PRO 112 2HD PRO 112 16.108 -14.826 -5.605 913 H SER 113 H SER 113 15.619 -15.317 -0.926 914 HA SER 113 HA SER 113 17.111 -17.462 0.346 915 HB2 SER 113 1HB SER 113 18.617 -15.599 -0.611 916 HB3 SER 113 2HB SER 113 17.909 -14.534 0.588 917 HG SER 113 HG SER 113 19.304 -17.011 1.156 918 H SER 114 H SER 114 16.394 -17.872 2.427 919 HA SER 114 HA SER 114 15.240 -15.753 3.944 920 HB2 SER 114 1HB SER 114 13.203 -16.264 2.864 921 HB3 SER 114 2HB SER 114 13.556 -17.978 2.779 922 HG SER 114 HG SER 114 11.988 -17.625 4.408 923 H GLY 115 H GLY 115 15.613 -16.129 6.135 924 HA2 GLY 115 1HA GLY 115 16.240 -17.192 8.016 925 HA3 GLY 115 2HA GLY 115 15.661 -18.691 7.316 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 19.941 11.339 -11.895 2 HA2 GLY 1 1HA GLY 1 20.297 9.376 -12.940 3 HA3 GLY 1 2HA GLY 1 21.324 9.007 -11.568 4 H SER 2 H SER 2 19.787 7.055 -13.058 5 HA SER 2 HA SER 2 17.571 6.467 -11.304 6 HB2 SER 2 1HB SER 2 18.533 4.984 -13.790 7 HB3 SER 2 2HB SER 2 17.021 4.707 -12.948 8 HG SER 2 HG SER 2 16.496 6.059 -14.647 9 H SER 3 H SER 3 20.485 4.771 -12.689 10 HA SER 3 HA SER 3 20.297 2.816 -10.604 11 HB2 SER 3 1HB SER 3 22.130 1.697 -11.775 12 HB3 SER 3 2HB SER 3 20.907 2.178 -12.935 13 HG SER 3 HG SER 3 23.441 3.467 -12.404 14 H GLY 4 H GLY 4 20.727 4.067 -8.684 15 HA2 GLY 4 1HA GLY 4 23.544 4.470 -8.176 16 HA3 GLY 4 2HA GLY 4 22.600 5.945 -8.203 17 H SER 5 H SER 5 23.945 3.999 -6.048 18 HA SER 5 HA SER 5 21.847 4.492 -4.143 19 HB2 SER 5 1HB SER 5 22.340 1.865 -5.210 20 HB3 SER 5 2HB SER 5 22.894 1.871 -3.548 21 HG SER 5 HG SER 5 20.384 3.104 -4.030 22 H SER 6 H SER 6 22.682 4.336 -1.862 23 HA SER 6 HA SER 6 25.527 4.064 -1.628 24 HB2 SER 6 1HB SER 6 24.612 6.592 -2.163 25 HB3 SER 6 2HB SER 6 24.502 6.592 -0.414 26 HG SER 6 HG SER 6 26.606 6.941 -0.394 27 H GLY 7 H GLY 7 22.651 5.470 0.121 28 HA2 GLY 7 1HA GLY 7 22.265 3.396 1.907 29 HA3 GLY 7 2HA GLY 7 23.459 4.443 2.648 30 H GLN 8 H GLN 8 22.680 6.073 3.911 31 HA GLN 8 HA GLN 8 21.327 7.517 4.802 32 HB2 GLN 8 1HB GLN 8 21.411 8.245 2.192 33 HB3 GLN 8 2HB GLN 8 19.690 7.943 2.325 34 HG2 GLN 8 1HG GLN 8 19.542 9.495 4.261 35 HG3 GLN 8 2HG GLN 8 21.273 9.759 4.205 36 HE21 GLN 8 1HE2 GLN 8 19.656 11.885 4.081 37 HE22 GLN 8 2HE2 GLN 8 19.637 12.600 2.503 38 H ARG 9 H ARG 9 19.841 6.877 6.297 39 HA ARG 9 HA ARG 9 18.162 4.740 5.850 40 HB2 ARG 9 1HB ARG 9 18.630 6.746 7.986 41 HB3 ARG 9 2HB ARG 9 16.979 6.159 7.957 42 HG2 ARG 9 1HG ARG 9 18.418 3.804 7.627 43 HG3 ARG 9 2HG ARG 9 19.481 4.725 8.673 44 HD2 ARG 9 1HD ARG 9 16.637 4.892 9.491 45 HD3 ARG 9 2HD ARG 9 17.255 3.252 9.507 46 HE ARG 9 HE ARG 9 19.269 4.639 10.769 47 HH11 ARG 9 2HH2 ARG 9 15.786 4.517 11.257 48 HH12 ARG 9 1HH2 ARG 9 15.884 4.845 12.955 49 HH21 ARG 9 2HH1 ARG 9 19.399 5.071 13.010 50 HH22 ARG 9 1HH1 ARG 9 17.953 5.162 13.959 51 H ARG 10 H ARG 10 15.600 5.130 6.544 52 HA ARG 10 HA ARG 10 13.650 5.884 5.983 53 HB2 ARG 10 1HB ARG 10 15.291 8.322 5.787 54 HB3 ARG 10 2HB ARG 10 13.953 8.369 4.656 55 HG2 ARG 10 1HG ARG 10 13.063 7.341 7.250 56 HG3 ARG 10 2HG ARG 10 13.857 8.891 7.447 57 HD2 ARG 10 1HD ARG 10 11.657 8.383 5.387 58 HD3 ARG 10 2HD ARG 10 11.350 9.025 6.989 59 HE ARG 10 HE ARG 10 13.388 10.482 5.424 60 HH11 ARG 10 2HH2 ARG 10 10.011 10.272 6.390 61 HH12 ARG 10 1HH2 ARG 10 9.668 11.928 6.015 62 HH21 ARG 10 2HH1 ARG 10 12.936 12.666 4.929 63 HH22 ARG 10 1HH1 ARG 10 11.343 13.299 5.178 64 H HIS 11 H HIS 11 15.824 7.316 3.424 65 HA HIS 11 HA HIS 11 14.078 6.631 1.342 66 HB2 HIS 11 1HB HIS 11 17.038 7.129 1.030 67 HB3 HIS 11 2HB HIS 11 15.749 7.469 -0.109 68 HD1 HIS 11 1HD HIS 11 17.493 8.861 2.901 69 HD2 HIS 11 2HD HIS 11 14.240 9.833 0.437 70 HE1 HIS 11 1HE HIS 11 16.886 11.280 3.440 71 H ASP 12 H ASP 12 16.086 4.710 3.314 72 HA ASP 12 HA ASP 12 17.160 2.940 1.515 73 HB2 ASP 12 1HB ASP 12 17.508 3.115 4.063 74 HB3 ASP 12 2HB ASP 12 16.015 2.217 4.248 75 H MET 13 H MET 13 13.927 3.120 3.122 76 HA MET 13 HA MET 13 13.089 0.668 1.912 77 HB2 MET 13 1HB MET 13 11.424 2.792 3.369 78 HB3 MET 13 2HB MET 13 10.987 1.111 3.136 79 HG2 MET 13 1HG MET 13 13.473 1.973 4.686 80 HG3 MET 13 2HG MET 13 11.921 1.703 5.454 81 HE1 MET 13 1HE MET 13 10.492 -0.320 4.821 82 HE2 MET 13 2HE MET 13 11.041 -0.992 3.267 83 HE3 MET 13 3HE MET 13 11.142 -1.975 4.747 84 H LEU 14 H LEU 14 12.208 4.185 1.669 85 HA LEU 14 HA LEU 14 10.243 4.102 -0.159 86 HB2 LEU 14 1HB LEU 14 12.515 6.065 -0.370 87 HB3 LEU 14 2HB LEU 14 10.824 6.311 -0.759 88 HG LEU 14 HG LEU 14 12.148 6.196 1.939 89 HD11 LEU 14 1HD1 LEU 14 11.943 8.363 0.815 90 HD12 LEU 14 2HD1 LEU 14 10.182 8.138 0.693 91 HD13 LEU 14 3HD1 LEU 14 10.951 8.293 2.291 92 HD21 LEU 14 1HD2 LEU 14 10.330 4.635 2.174 93 HD22 LEU 14 2HD2 LEU 14 9.895 6.159 2.985 94 HD23 LEU 14 3HD2 LEU 14 9.199 5.767 1.395 95 H ALA 15 H ALA 15 13.775 3.740 -0.793 96 HA ALA 15 HA ALA 15 13.644 3.722 -3.558 97 HB1 ALA 15 1HB ALA 15 15.726 3.880 -2.275 98 HB2 ALA 15 2HB ALA 15 15.490 2.230 -1.649 99 HB3 ALA 15 3HB ALA 15 15.800 2.489 -3.383 100 H TRP 16 H TRP 16 13.312 1.019 -1.168 101 HA TRP 16 HA TRP 16 13.171 -1.104 -2.836 102 HB2 TRP 16 1HB TRP 16 13.082 -1.238 -0.406 103 HB3 TRP 16 2HB TRP 16 11.468 -0.554 -0.399 104 HD1 TRP 16 HD TRP 16 13.071 -3.651 -2.202 105 HE1 TRP 16 1HE TRP 16 11.462 -5.736 -2.041 106 HE3 TRP 16 3HE TRP 16 9.392 -1.273 0.380 107 HZ2 TRP 16 2HZ TRP 16 8.889 -6.148 -0.877 108 HZ3 TRP 16 3HZ TRP 16 7.365 -2.589 0.990 109 HH2 TRP 16 HH TRP 16 7.080 -4.945 0.403 110 H ILE 17 H ILE 17 10.168 0.534 -1.601 111 HA ILE 17 HA ILE 17 8.470 -0.507 -3.475 112 HB ILE 17 HB ILE 17 8.429 2.052 -1.895 113 HG12 ILE 17 1HG1 ILE 17 6.347 0.253 -1.210 114 HG13 ILE 17 2HG1 ILE 17 7.802 -0.711 -1.364 115 HG21 ILE 17 1HG2 ILE 17 5.867 1.861 -2.517 116 HG22 ILE 17 2HG2 ILE 17 7.012 2.754 -3.546 117 HG23 ILE 17 3HG2 ILE 17 6.520 1.101 -3.989 118 HD11 ILE 17 1HD1 ILE 17 7.697 1.888 0.228 119 HD12 ILE 17 2HD1 ILE 17 7.423 0.283 0.946 120 HD13 ILE 17 3HD1 ILE 17 9.001 0.677 0.224 121 H ASN 18 H ASN 18 10.123 2.729 -3.589 122 HA ASN 18 HA ASN 18 9.235 3.643 -5.903 123 HB2 ASN 18 1HB ASN 18 12.065 3.645 -4.767 124 HB3 ASN 18 2HB ASN 18 11.703 4.502 -6.252 125 HD21 ASN 18 1HD2 ASN 18 12.583 6.120 -4.526 126 HD22 ASN 18 2HD2 ASN 18 11.381 7.046 -3.690 127 H GLU 19 H GLU 19 11.907 1.228 -5.429 128 HA GLU 19 HA GLU 19 11.996 0.827 -8.292 129 HB2 GLU 19 1HB GLU 19 13.861 0.457 -6.035 130 HB3 GLU 19 2HB GLU 19 13.857 -0.908 -7.134 131 HG2 GLU 19 1HG GLU 19 13.819 1.448 -8.766 132 HG3 GLU 19 2HG GLU 19 15.015 1.729 -7.516 133 H SER 20 H SER 20 9.585 -0.006 -7.659 134 HA SER 20 HA SER 20 9.823 -2.849 -7.860 135 HB2 SER 20 1HB SER 20 8.374 -1.517 -5.538 136 HB3 SER 20 2HB SER 20 8.012 -3.154 -6.048 137 HG SER 20 HG SER 20 10.068 -3.841 -5.468 138 H LEU 21 H LEU 21 7.708 0.065 -7.526 139 HA LEU 21 HA LEU 21 6.068 -1.043 -9.692 140 HB2 LEU 21 1HB LEU 21 4.856 0.649 -7.544 141 HB3 LEU 21 2HB LEU 21 4.084 -0.456 -8.664 142 HG LEU 21 HG LEU 21 5.971 -1.590 -6.635 143 HD11 LEU 21 1HD1 LEU 21 3.284 -0.387 -6.028 144 HD12 LEU 21 2HD1 LEU 21 3.872 -1.802 -5.123 145 HD13 LEU 21 3HD1 LEU 21 4.807 -0.287 -5.112 146 HD21 LEU 21 1HD2 LEU 21 5.224 -3.345 -7.842 147 HD22 LEU 21 2HD2 LEU 21 3.847 -3.245 -6.719 148 HD23 LEU 21 3HD2 LEU 21 3.729 -2.516 -8.338 149 H GLN 22 H GLN 22 8.369 1.137 -8.932 150 HA GLN 22 HA GLN 22 9.068 2.956 -9.899 151 HB2 GLN 22 1HB GLN 22 7.002 2.054 -11.787 152 HB3 GLN 22 2HB GLN 22 7.191 3.796 -11.815 153 HG2 GLN 22 1HG GLN 22 9.105 3.584 -13.007 154 HG3 GLN 22 2HG GLN 22 9.833 2.675 -11.697 155 HE21 GLN 22 1HE2 GLN 22 7.885 2.476 -14.614 156 HE22 GLN 22 2HE2 GLN 22 8.205 0.819 -15.005 157 H LEU 23 H LEU 23 8.405 3.729 -7.642 158 HA LEU 23 HA LEU 23 6.149 5.592 -7.800 159 HB2 LEU 23 1HB LEU 23 7.593 4.573 -5.353 160 HB3 LEU 23 2HB LEU 23 6.136 5.544 -5.391 161 HG LEU 23 HG LEU 23 5.596 3.248 -4.866 162 HD11 LEU 23 1HD1 LEU 23 3.976 4.547 -6.179 163 HD12 LEU 23 2HD1 LEU 23 4.695 3.919 -7.681 164 HD13 LEU 23 3HD1 LEU 23 3.892 2.808 -6.547 165 HD21 LEU 23 1HD2 LEU 23 6.412 2.219 -7.544 166 HD22 LEU 23 2HD2 LEU 23 7.678 2.458 -6.315 167 HD23 LEU 23 3HD2 LEU 23 6.298 1.386 -5.974 168 H ASN 24 H ASN 24 7.159 7.154 -5.501 169 HA ASN 24 HA ASN 24 9.697 8.116 -6.040 170 HB2 ASN 24 1HB ASN 24 8.433 8.946 -8.136 171 HB3 ASN 24 2HB ASN 24 7.482 9.961 -7.069 172 HD21 ASN 24 1HD2 ASN 24 8.957 11.055 -9.069 173 HD22 ASN 24 2HD2 ASN 24 10.296 11.958 -8.443 174 H LEU 25 H LEU 25 8.737 7.479 -3.654 175 HA LEU 25 HA LEU 25 7.318 9.706 -2.463 176 HB2 LEU 25 1HB LEU 25 8.335 7.205 -1.124 177 HB3 LEU 25 2HB LEU 25 7.116 8.320 -0.539 178 HG LEU 25 HG LEU 25 6.827 6.534 -2.971 179 HD11 LEU 25 1HD1 LEU 25 5.830 6.250 -0.132 180 HD12 LEU 25 2HD1 LEU 25 5.122 5.367 -1.506 181 HD13 LEU 25 3HD1 LEU 25 6.831 5.120 -1.075 182 HD21 LEU 25 1HD2 LEU 25 4.352 7.549 -1.896 183 HD22 LEU 25 2HD2 LEU 25 5.445 8.892 -2.307 184 HD23 LEU 25 3HD2 LEU 25 5.017 7.683 -3.541 185 H THR 26 H THR 26 8.160 10.994 -0.732 186 HA THR 26 HA THR 26 11.102 11.085 -0.757 187 HB THR 26 HB THR 26 10.661 13.510 -0.068 188 HG1 THR 26 1HG THR 26 8.450 14.098 -0.041 189 HG21 THR 26 1HG2 THR 26 10.234 12.301 -2.664 190 HG22 THR 26 2HG2 THR 26 9.015 13.577 -2.435 191 HG23 THR 26 3HG2 THR 26 10.747 13.967 -2.303 192 H LYS 27 H LYS 27 8.333 10.283 1.134 193 HA LYS 27 HA LYS 27 10.087 10.095 3.459 194 HB2 LYS 27 1HB LYS 27 7.314 11.323 3.529 195 HB3 LYS 27 2HB LYS 27 8.308 10.964 4.926 196 HG2 LYS 27 1HG LYS 27 10.120 12.466 3.890 197 HG3 LYS 27 2HG LYS 27 8.933 12.949 2.694 198 HD2 LYS 27 1HD LYS 27 8.036 13.110 5.548 199 HD3 LYS 27 2HD LYS 27 9.293 14.240 5.083 200 HE2 LYS 27 1HE LYS 27 7.807 15.527 3.944 201 HE3 LYS 27 2HE LYS 27 7.266 14.156 2.996 202 HZ1 LYS 27 1HZ LYS 27 5.692 15.352 4.655 203 HZ2 LYS 27 2HZ LYS 27 5.590 13.737 4.435 204 HZ3 LYS 27 3HZ LYS 27 6.361 14.336 5.744 205 H ILE 28 H ILE 28 8.796 8.740 5.237 206 HA ILE 28 HA ILE 28 8.062 6.322 3.861 207 HB ILE 28 HB ILE 28 8.570 7.086 6.722 208 HG12 ILE 28 1HG1 ILE 28 10.411 6.627 4.968 209 HG13 ILE 28 2HG1 ILE 28 10.524 5.855 6.537 210 HG21 ILE 28 1HG2 ILE 28 8.301 4.311 6.659 211 HG22 ILE 28 2HG2 ILE 28 7.202 5.482 7.428 212 HG23 ILE 28 3HG2 ILE 28 6.886 4.923 5.768 213 HD11 ILE 28 1HD1 ILE 28 10.696 4.514 4.147 214 HD12 ILE 28 2HD1 ILE 28 10.203 3.755 5.679 215 HD13 ILE 28 3HD1 ILE 28 8.968 4.311 4.524 216 H GLU 29 H GLU 29 6.522 8.834 5.929 217 HA GLU 29 HA GLU 29 4.134 7.587 6.335 218 HB2 GLU 29 1HB GLU 29 5.203 10.296 6.495 219 HB3 GLU 29 2HB GLU 29 3.542 10.337 5.937 220 HG2 GLU 29 1HG GLU 29 2.706 9.334 7.898 221 HG3 GLU 29 2HG GLU 29 4.226 8.547 8.274 222 H GLN 30 H GLN 30 5.520 8.763 3.367 223 HA GLN 30 HA GLN 30 3.327 9.530 1.954 224 HB2 GLN 30 1HB GLN 30 5.991 8.345 1.288 225 HB3 GLN 30 2HB GLN 30 4.786 8.277 0.017 226 HG2 GLN 30 1HG GLN 30 4.930 10.902 1.415 227 HG3 GLN 30 2HG GLN 30 6.396 10.467 0.559 228 HE21 GLN 30 1HE2 GLN 30 6.295 11.806 -1.129 229 HE22 GLN 30 2HE2 GLN 30 5.057 11.818 -2.340 230 H LEU 31 H LEU 31 4.094 6.396 3.251 231 HA LEU 31 HA LEU 31 2.357 5.031 1.363 232 HB2 LEU 31 1HB LEU 31 3.612 3.704 3.723 233 HB3 LEU 31 2HB LEU 31 3.249 3.061 2.134 234 HG LEU 31 HG LEU 31 5.233 5.187 1.981 235 HD11 LEU 31 1HD1 LEU 31 6.935 4.454 3.316 236 HD12 LEU 31 2HD1 LEU 31 5.543 4.048 4.348 237 HD13 LEU 31 3HD1 LEU 31 6.329 2.782 3.374 238 HD21 LEU 31 1HD2 LEU 31 6.250 3.789 0.457 239 HD22 LEU 31 2HD2 LEU 31 5.727 2.308 1.296 240 HD23 LEU 31 3HD2 LEU 31 4.554 3.258 0.352 241 H CYS 32 H CYS 32 1.192 7.142 2.974 242 HA CYS 32 HA CYS 32 -0.253 5.703 5.032 243 HB2 CYS 32 1HB CYS 32 -1.217 7.942 5.561 244 HB3 CYS 32 2HB CYS 32 0.529 7.876 5.686 245 HG CYS 32 HG CYS 32 -0.885 8.592 2.813 246 H SER 33 H SER 33 -0.459 5.223 2.003 247 HA SER 33 HA SER 33 -3.241 6.008 1.667 248 HB2 SER 33 1HB SER 33 -2.642 5.155 -0.790 249 HB3 SER 33 2HB SER 33 -2.224 6.774 -0.264 250 HG SER 33 HG SER 33 -0.109 6.276 -0.216 251 H GLY 34 H GLY 34 -0.939 3.262 1.017 252 HA2 GLY 34 1HA GLY 34 -1.302 1.068 1.710 253 HA3 GLY 34 2HA GLY 34 -3.017 1.387 1.883 254 H ALA 35 H ALA 35 -0.775 2.063 -0.890 255 HA ALA 35 HA ALA 35 -2.461 0.271 -2.501 256 HB1 ALA 35 1HB ALA 35 -1.077 2.556 -3.818 257 HB2 ALA 35 2HB ALA 35 -2.692 1.870 -4.116 258 HB3 ALA 35 3HB ALA 35 -2.434 2.975 -2.745 259 H ALA 36 H ALA 36 0.767 1.906 -2.207 260 HA ALA 36 HA ALA 36 2.200 0.583 -4.044 261 HB1 ALA 36 1HB ALA 36 3.506 2.069 -2.903 262 HB2 ALA 36 2HB ALA 36 2.733 1.710 -1.340 263 HB3 ALA 36 3HB ALA 36 3.979 0.617 -1.989 264 H TYR 37 H TYR 37 1.538 -0.629 -0.681 265 HA TYR 37 HA TYR 37 2.834 -3.030 -0.870 266 HB2 TYR 37 1HB TYR 37 0.072 -2.436 0.358 267 HB3 TYR 37 2HB TYR 37 1.198 -3.651 0.929 268 HD1 TYR 37 1HD TYR 37 3.471 -2.836 1.854 269 HD2 TYR 37 2HD TYR 37 0.119 -0.250 1.234 270 HE1 TYR 37 1HE TYR 37 4.473 -1.140 3.461 271 HE2 TYR 37 2HE TYR 37 1.133 1.437 2.843 272 HH TYR 37 HH TYR 37 4.162 0.712 4.544 273 H CYS 38 H CYS 38 -0.619 -2.308 -1.738 274 HA CYS 38 HA CYS 38 -1.371 -4.829 -2.435 275 HB2 CYS 38 1HB CYS 38 -2.258 -2.090 -3.143 276 HB3 CYS 38 2HB CYS 38 -2.743 -3.344 -4.268 277 HG CYS 38 HG CYS 38 -3.709 -2.609 -1.331 278 H GLN 39 H GLN 39 -0.301 -2.241 -4.773 279 HA GLN 39 HA GLN 39 -0.073 -3.732 -6.968 280 HB2 GLN 39 1HB GLN 39 0.800 -1.188 -6.127 281 HB3 GLN 39 2HB GLN 39 2.253 -1.961 -6.727 282 HG2 GLN 39 1HG GLN 39 0.543 -2.687 -8.716 283 HG3 GLN 39 2HG GLN 39 -0.251 -1.211 -8.205 284 HE21 GLN 39 1HE2 GLN 39 2.041 -2.509 -10.188 285 HE22 GLN 39 2HE2 GLN 39 2.995 -1.111 -10.558 286 H PHE 40 H PHE 40 2.333 -3.487 -4.292 287 HA PHE 40 HA PHE 40 4.340 -4.973 -5.530 288 HB2 PHE 40 1HB PHE 40 3.816 -3.619 -3.110 289 HB3 PHE 40 2HB PHE 40 3.935 -5.286 -2.581 290 HD1 PHE 40 1HD PHE 40 6.008 -6.096 -4.735 291 HD2 PHE 40 2HD PHE 40 5.788 -2.854 -2.005 292 HE1 PHE 40 1HE PHE 40 8.512 -5.920 -4.742 293 HE2 PHE 40 2HE PHE 40 8.292 -2.678 -2.012 294 HZ PHE 40 HZ PHE 40 9.624 -4.213 -3.380 295 H MET 41 H MET 41 1.430 -5.922 -3.660 296 HA MET 41 HA MET 41 2.241 -8.590 -3.335 297 HB2 MET 41 1HB MET 41 -0.278 -6.955 -3.020 298 HB3 MET 41 2HB MET 41 -0.490 -8.691 -3.131 299 HG2 MET 41 1HG MET 41 1.374 -7.297 -1.147 300 HG3 MET 41 2HG MET 41 -0.231 -7.886 -0.759 301 HE1 MET 41 1HE MET 41 0.131 -10.988 0.501 302 HE2 MET 41 2HE MET 41 -0.913 -9.751 -0.238 303 HE3 MET 41 3HE MET 41 -0.509 -11.230 -1.142 304 H ASP 42 H ASP 42 -0.385 -7.164 -5.422 305 HA ASP 42 HA ASP 42 -1.114 -9.285 -6.800 306 HB2 ASP 42 1HB ASP 42 -1.385 -6.553 -7.111 307 HB3 ASP 42 2HB ASP 42 -0.483 -6.956 -8.559 308 H MET 43 H MET 43 1.940 -7.430 -7.152 309 HA MET 43 HA MET 43 2.737 -8.644 -9.548 310 HB2 MET 43 1HB MET 43 3.660 -6.625 -7.734 311 HB3 MET 43 2HB MET 43 4.961 -7.797 -7.825 312 HG2 MET 43 1HG MET 43 4.870 -7.657 -10.347 313 HG3 MET 43 2HG MET 43 3.630 -6.426 -10.212 314 HE1 MET 43 1HE MET 43 6.992 -6.269 -7.569 315 HE2 MET 43 2HE MET 43 6.751 -7.622 -8.699 316 HE3 MET 43 3HE MET 43 7.969 -6.373 -9.054 317 H LEU 44 H LEU 44 3.425 -9.304 -6.060 318 HA LEU 44 HA LEU 44 5.177 -11.472 -6.684 319 HB2 LEU 44 1HB LEU 44 3.900 -10.545 -4.109 320 HB3 LEU 44 2HB LEU 44 5.052 -11.860 -4.222 321 HG LEU 44 HG LEU 44 5.564 -8.948 -4.884 322 HD11 LEU 44 1HD1 LEU 44 5.423 -9.940 -2.427 323 HD12 LEU 44 2HD1 LEU 44 7.084 -10.457 -2.806 324 HD13 LEU 44 3HD1 LEU 44 6.647 -8.733 -2.890 325 HD21 LEU 44 1HD2 LEU 44 8.022 -10.005 -4.911 326 HD22 LEU 44 2HD2 LEU 44 7.109 -11.411 -5.509 327 HD23 LEU 44 3HD2 LEU 44 7.014 -9.857 -6.371 328 H PHE 45 H PHE 45 1.818 -11.171 -5.339 329 HA PHE 45 HA PHE 45 1.366 -13.889 -6.350 330 HB2 PHE 45 1HB PHE 45 0.147 -12.543 -3.870 331 HB3 PHE 45 2HB PHE 45 -0.025 -14.229 -4.315 332 HD1 PHE 45 1HD PHE 45 1.890 -15.776 -4.074 333 HD2 PHE 45 2HD PHE 45 2.099 -11.760 -2.721 334 HE1 PHE 45 1HE PHE 45 3.893 -16.352 -2.674 335 HE2 PHE 45 2HE PHE 45 4.102 -12.335 -1.321 336 HZ PHE 45 HZ PHE 45 4.975 -14.624 -1.315 337 HA PRO 46 HA PRO 46 -1.768 -11.524 -8.368 338 HB2 PRO 46 1HB PRO 46 -2.276 -13.319 -10.365 339 HB3 PRO 46 2HB PRO 46 -1.038 -12.085 -10.478 340 HG2 PRO 46 1HG PRO 46 -0.724 -14.987 -10.011 341 HG3 PRO 46 2HG PRO 46 0.474 -13.825 -10.544 342 HD2 PRO 46 1HD PRO 46 0.216 -14.940 -7.914 343 HD3 PRO 46 2HD PRO 46 1.340 -13.693 -8.418 344 H GLY 47 H GLY 47 -3.885 -11.286 -7.936 345 HA2 GLY 47 1HA GLY 47 -6.031 -12.105 -7.658 346 HA3 GLY 47 2HA GLY 47 -5.410 -13.735 -7.489 347 H SER 48 H SER 48 -3.231 -12.624 -5.565 348 HA SER 48 HA SER 48 -4.500 -13.306 -3.237 349 HB2 SER 48 1HB SER 48 -2.492 -12.550 -2.110 350 HB3 SER 48 2HB SER 48 -2.017 -13.259 -3.640 351 HG SER 48 HG SER 48 -1.713 -11.181 -4.532 352 H ILE 49 H ILE 49 -4.111 -10.144 -4.867 353 HA ILE 49 HA ILE 49 -5.653 -8.925 -2.684 354 HB ILE 49 HB ILE 49 -4.173 -7.228 -4.607 355 HG12 ILE 49 1HG1 ILE 49 -2.620 -9.152 -4.095 356 HG13 ILE 49 2HG1 ILE 49 -2.028 -7.558 -3.674 357 HG21 ILE 49 1HG2 ILE 49 -3.652 -6.452 -1.989 358 HG22 ILE 49 2HG2 ILE 49 -4.886 -5.776 -3.079 359 HG23 ILE 49 3HG2 ILE 49 -5.320 -7.070 -1.937 360 HD11 ILE 49 1HD1 ILE 49 -1.923 -9.625 -1.947 361 HD12 ILE 49 2HD1 ILE 49 -2.153 -7.949 -1.393 362 HD13 ILE 49 3HD1 ILE 49 -3.555 -9.034 -1.550 363 H ALA 50 H ALA 50 -6.361 -6.572 -4.207 364 HA ALA 50 HA ALA 50 -7.933 -7.691 -6.402 365 HB1 ALA 50 1HB ALA 50 -8.987 -7.178 -3.847 366 HB2 ALA 50 2HB ALA 50 -9.461 -5.770 -4.827 367 HB3 ALA 50 3HB ALA 50 -9.905 -7.411 -5.354 368 H LEU 51 H LEU 51 -5.791 -6.465 -7.181 369 HA LEU 51 HA LEU 51 -5.388 -3.823 -7.038 370 HB2 LEU 51 1HB LEU 51 -4.712 -5.943 -8.798 371 HB3 LEU 51 2HB LEU 51 -5.179 -4.577 -9.792 372 HG LEU 51 HG LEU 51 -2.965 -4.710 -7.739 373 HD11 LEU 51 1HD1 LEU 51 -1.735 -3.779 -9.857 374 HD12 LEU 51 2HD1 LEU 51 -2.083 -5.518 -9.704 375 HD13 LEU 51 3HD1 LEU 51 -3.117 -4.490 -10.725 376 HD21 LEU 51 1HD2 LEU 51 -2.719 -2.218 -8.814 377 HD22 LEU 51 2HD2 LEU 51 -4.487 -2.367 -8.674 378 HD23 LEU 51 3HD2 LEU 51 -3.460 -2.580 -7.237 379 H LYS 52 H LYS 52 -8.129 -5.469 -8.564 380 HA LYS 52 HA LYS 52 -9.007 -3.000 -9.806 381 HB2 LYS 52 1HB LYS 52 -9.464 -5.838 -10.192 382 HB3 LYS 52 2HB LYS 52 -10.987 -4.982 -10.066 383 HG2 LYS 52 1HG LYS 52 -8.699 -4.101 -11.886 384 HG3 LYS 52 2HG LYS 52 -10.032 -5.105 -12.422 385 HD2 LYS 52 1HD LYS 52 -10.161 -2.235 -11.408 386 HD3 LYS 52 2HD LYS 52 -10.592 -2.824 -13.001 387 HE2 LYS 52 1HE LYS 52 -12.307 -4.348 -11.581 388 HE3 LYS 52 2HE LYS 52 -12.121 -3.056 -10.411 389 HZ1 LYS 52 1HZ LYS 52 -13.749 -3.009 -12.549 390 HZ2 LYS 52 2HZ LYS 52 -13.296 -1.701 -11.682 391 HZ3 LYS 52 3HZ LYS 52 -12.498 -2.089 -13.053 392 H LYS 53 H LYS 53 -8.706 -2.684 -7.053 393 HA LYS 53 HA LYS 53 -11.393 -2.005 -6.358 394 HB2 LYS 53 1HB LYS 53 -10.858 -4.540 -5.692 395 HB3 LYS 53 2HB LYS 53 -10.118 -3.763 -4.308 396 HG2 LYS 53 1HG LYS 53 -12.351 -2.384 -4.158 397 HG3 LYS 53 2HG LYS 53 -13.013 -3.612 -5.218 398 HD2 LYS 53 1HD LYS 53 -11.661 -4.174 -2.536 399 HD3 LYS 53 2HD LYS 53 -13.394 -4.118 -2.787 400 HE2 LYS 53 1HE LYS 53 -12.619 -5.889 -4.774 401 HE3 LYS 53 2HE LYS 53 -11.444 -6.244 -3.523 402 HZ1 LYS 53 1HZ LYS 53 -13.782 -7.339 -3.529 403 HZ2 LYS 53 2HZ LYS 53 -13.050 -6.952 -2.121 404 HZ3 LYS 53 3HZ LYS 53 -14.218 -5.985 -2.727 405 H VAL 54 H VAL 54 -7.960 -2.438 -5.328 406 HA VAL 54 HA VAL 54 -7.895 -0.620 -3.286 407 HB VAL 54 HB VAL 54 -6.078 -2.104 -3.828 408 HG11 VAL 54 1HG1 VAL 54 -5.413 -0.396 -6.237 409 HG12 VAL 54 2HG1 VAL 54 -4.722 -1.967 -5.765 410 HG13 VAL 54 3HG1 VAL 54 -6.401 -1.872 -6.350 411 HG21 VAL 54 1HG2 VAL 54 -5.558 -0.053 -2.571 412 HG22 VAL 54 2HG2 VAL 54 -4.184 -0.570 -3.578 413 HG23 VAL 54 3HG2 VAL 54 -5.205 0.793 -4.097 414 H LYS 55 H LYS 55 -7.221 1.638 -3.169 415 HA LYS 55 HA LYS 55 -7.996 3.094 -5.600 416 HB2 LYS 55 1HB LYS 55 -8.562 3.570 -2.691 417 HB3 LYS 55 2HB LYS 55 -8.447 4.942 -3.774 418 HG2 LYS 55 1HG LYS 55 -10.040 2.888 -5.058 419 HG3 LYS 55 2HG LYS 55 -10.656 3.137 -3.437 420 HD2 LYS 55 1HD LYS 55 -11.600 5.107 -4.042 421 HD3 LYS 55 2HD LYS 55 -10.055 5.725 -4.592 422 HE2 LYS 55 1HE LYS 55 -10.996 5.701 -6.674 423 HE3 LYS 55 2HE LYS 55 -10.681 3.978 -6.644 424 HZ1 LYS 55 1HZ LYS 55 -13.069 4.957 -6.997 425 HZ2 LYS 55 2HZ LYS 55 -12.833 3.525 -6.249 426 HZ3 LYS 55 3HZ LYS 55 -13.112 4.871 -5.367 427 H PHE 56 H PHE 56 -5.988 3.326 -6.581 428 HA PHE 56 HA PHE 56 -3.686 3.997 -5.063 429 HB2 PHE 56 1HB PHE 56 -4.527 3.946 -8.010 430 HB3 PHE 56 2HB PHE 56 -2.927 4.503 -7.561 431 HD1 PHE 56 1HD PHE 56 -4.261 1.918 -5.447 432 HD2 PHE 56 2HD PHE 56 -2.137 2.632 -9.050 433 HE1 PHE 56 1HE PHE 56 -3.440 -0.454 -5.432 434 HE2 PHE 56 2HE PHE 56 -1.316 0.260 -9.036 435 HZ PHE 56 HZ PHE 56 -1.977 -1.255 -7.227 436 H GLN 57 H GLN 57 -6.108 5.811 -7.006 437 HA GLN 57 HA GLN 57 -4.605 8.232 -6.608 438 HB2 GLN 57 1HB GLN 57 -6.954 7.389 -8.273 439 HB3 GLN 57 2HB GLN 57 -6.874 9.081 -7.824 440 HG2 GLN 57 1HG GLN 57 -4.269 8.013 -8.742 441 HG3 GLN 57 2HG GLN 57 -5.520 7.892 -9.963 442 HE21 GLN 57 1HE2 GLN 57 -3.202 9.830 -8.611 443 HE22 GLN 57 2HE2 GLN 57 -3.706 11.388 -9.176 444 H ALA 58 H ALA 58 -5.438 7.010 -4.178 445 HA ALA 58 HA ALA 58 -7.867 8.321 -3.341 446 HB1 ALA 58 1HB ALA 58 -7.453 6.107 -2.501 447 HB2 ALA 58 2HB ALA 58 -5.811 6.548 -1.972 448 HB3 ALA 58 3HB ALA 58 -7.228 7.230 -1.138 449 H LYS 59 H LYS 59 -8.003 10.295 -2.374 450 HA LYS 59 HA LYS 59 -5.454 11.502 -1.550 451 HB2 LYS 59 1HB LYS 59 -6.104 12.759 -3.392 452 HB3 LYS 59 2HB LYS 59 -7.813 12.614 -3.036 453 HG2 LYS 59 1HG LYS 59 -7.805 14.422 -1.631 454 HG3 LYS 59 2HG LYS 59 -6.303 13.944 -0.866 455 HD2 LYS 59 1HD LYS 59 -5.866 16.021 -2.021 456 HD3 LYS 59 2HD LYS 59 -5.062 14.758 -2.932 457 HE2 LYS 59 1HE LYS 59 -7.415 14.689 -4.242 458 HE3 LYS 59 2HE LYS 59 -7.536 16.331 -3.643 459 HZ1 LYS 59 1HZ LYS 59 -5.423 15.210 -5.334 460 HZ2 LYS 59 2HZ LYS 59 -6.444 16.436 -5.684 461 HZ3 LYS 59 3HZ LYS 59 -5.260 16.649 -4.579 462 H LEU 60 H LEU 60 -8.866 10.809 -0.802 463 HA LEU 60 HA LEU 60 -8.777 12.327 1.635 464 HB2 LEU 60 1HB LEU 60 -10.874 10.303 0.938 465 HB3 LEU 60 2HB LEU 60 -11.018 11.771 1.884 466 HG LEU 60 HG LEU 60 -12.017 12.558 0.030 467 HD11 LEU 60 1HD1 LEU 60 -9.462 12.835 -1.452 468 HD12 LEU 60 2HD1 LEU 60 -10.678 14.056 -1.005 469 HD13 LEU 60 3HD1 LEU 60 -9.499 13.490 0.202 470 HD21 LEU 60 1HD2 LEU 60 -11.635 10.139 -0.970 471 HD22 LEU 60 2HD2 LEU 60 -12.175 11.496 -1.987 472 HD23 LEU 60 3HD2 LEU 60 -10.465 11.004 -1.995 473 H GLU 61 H GLU 61 -9.149 11.307 3.788 474 HA GLU 61 HA GLU 61 -7.243 9.284 4.163 475 HB2 GLU 61 1HB GLU 61 -8.707 11.152 5.772 476 HB3 GLU 61 2HB GLU 61 -8.979 9.564 6.461 477 HG2 GLU 61 1HG GLU 61 -6.662 9.183 6.839 478 HG3 GLU 61 2HG GLU 61 -6.171 10.396 5.674 479 H HIS 62 H HIS 62 -10.852 9.367 4.627 480 HA HIS 62 HA HIS 62 -11.346 6.884 5.429 481 HB2 HIS 62 1HB HIS 62 -13.501 7.047 4.405 482 HB3 HIS 62 2HB HIS 62 -13.023 8.643 4.949 483 HD1 HIS 62 1HD HIS 62 -14.130 6.792 1.968 484 HD2 HIS 62 2HD HIS 62 -12.130 10.394 2.757 485 HE1 HIS 62 1HE HIS 62 -14.255 8.164 -0.179 486 H GLU 63 H GLU 63 -10.289 7.859 2.150 487 HA GLU 63 HA GLU 63 -10.784 5.416 0.935 488 HB2 GLU 63 1HB GLU 63 -8.575 7.390 0.222 489 HB3 GLU 63 2HB GLU 63 -9.333 6.231 -0.852 490 HG2 GLU 63 1HG GLU 63 -11.309 7.979 0.474 491 HG3 GLU 63 2HG GLU 63 -10.137 8.892 -0.456 492 H TYR 64 H TYR 64 -7.629 6.799 2.124 493 HA TYR 64 HA TYR 64 -5.932 4.810 1.721 494 HB2 TYR 64 1HB TYR 64 -6.482 6.244 4.395 495 HB3 TYR 64 2HB TYR 64 -4.938 5.547 3.947 496 HD1 TYR 64 2HD TYR 64 -5.785 6.703 0.915 497 HD2 TYR 64 1HD TYR 64 -4.953 8.292 4.799 498 HE1 TYR 64 2HE TYR 64 -5.092 8.914 -0.130 499 HE2 TYR 64 1HE TYR 64 -4.263 10.498 3.741 500 HH TYR 64 HH TYR 64 -5.072 11.577 1.140 501 H ILE 65 H ILE 65 -8.285 4.878 4.484 502 HA ILE 65 HA ILE 65 -7.523 2.570 5.722 503 HB ILE 65 HB ILE 65 -10.108 4.033 5.421 504 HG12 ILE 65 1HG1 ILE 65 -9.489 3.680 8.102 505 HG13 ILE 65 2HG1 ILE 65 -7.913 3.828 7.352 506 HG21 ILE 65 1HG2 ILE 65 -9.783 1.239 6.441 507 HG22 ILE 65 2HG2 ILE 65 -10.898 2.342 7.282 508 HG23 ILE 65 3HG2 ILE 65 -11.132 1.988 5.553 509 HD11 ILE 65 1HD1 ILE 65 -9.334 5.987 8.082 510 HD12 ILE 65 2HD1 ILE 65 -8.285 6.009 6.644 511 HD13 ILE 65 3HD1 ILE 65 -10.039 5.761 6.463 512 H GLN 66 H GLN 66 -10.232 2.790 3.303 513 HA GLN 66 HA GLN 66 -10.664 0.163 3.011 514 HB2 GLN 66 1HB GLN 66 -10.742 2.378 0.925 515 HB3 GLN 66 2HB GLN 66 -11.347 0.765 0.603 516 HG2 GLN 66 1HG GLN 66 -12.553 1.332 3.038 517 HG3 GLN 66 2HG GLN 66 -12.509 2.918 2.294 518 HE21 GLN 66 1HE2 GLN 66 -14.769 2.884 2.159 519 HE22 GLN 66 2HE2 GLN 66 -15.612 2.005 0.927 520 H ASN 67 H ASN 67 -8.314 2.138 1.060 521 HA ASN 67 HA ASN 67 -7.361 0.363 -0.622 522 HB2 ASN 67 1HB ASN 67 -5.560 2.095 1.153 523 HB3 ASN 67 2HB ASN 67 -5.147 1.490 -0.440 524 HD21 ASN 67 1HD2 ASN 67 -4.797 3.639 -1.095 525 HD22 ASN 67 2HD2 ASN 67 -6.101 4.696 -1.523 526 H PHE 68 H PHE 68 -6.287 0.722 2.842 527 HA PHE 68 HA PHE 68 -4.519 -1.460 2.773 528 HB2 PHE 68 1HB PHE 68 -6.021 0.186 4.867 529 HB3 PHE 68 2HB PHE 68 -5.061 -1.184 5.389 530 HD1 PHE 68 2HD PHE 68 -2.580 -1.206 4.475 531 HD2 PHE 68 1HD PHE 68 -5.011 2.261 4.747 532 HE1 PHE 68 2HE PHE 68 -0.525 0.235 4.478 533 HE2 PHE 68 1HE PHE 68 -2.957 3.702 4.750 534 HZ PHE 68 HZ PHE 68 -0.738 2.672 4.615 535 H LYS 69 H LYS 69 -7.929 -1.087 3.950 536 HA LYS 69 HA LYS 69 -8.361 -3.469 5.102 537 HB2 LYS 69 1HB LYS 69 -10.215 -2.009 3.195 538 HB3 LYS 69 2HB LYS 69 -10.708 -3.266 4.312 539 HG2 LYS 69 1HG LYS 69 -9.414 -1.673 6.078 540 HG3 LYS 69 2HG LYS 69 -9.819 -0.449 4.891 541 HD2 LYS 69 1HD LYS 69 -12.035 -0.484 5.441 542 HD3 LYS 69 2HD LYS 69 -12.098 -2.235 5.448 543 HE2 LYS 69 1HE LYS 69 -10.671 -1.914 7.718 544 HE3 LYS 69 2HE LYS 69 -11.458 -0.348 7.710 545 HZ1 LYS 69 1HZ LYS 69 -12.928 -1.703 8.806 546 HZ2 LYS 69 2HZ LYS 69 -13.555 -1.705 7.298 547 HZ3 LYS 69 3HZ LYS 69 -12.694 -2.988 7.825 548 H ILE 70 H ILE 70 -8.114 -2.813 1.573 549 HA ILE 70 HA ILE 70 -8.790 -5.473 0.850 550 HB ILE 70 HB ILE 70 -7.470 -3.211 -0.650 551 HG12 ILE 70 1HG1 ILE 70 -10.310 -4.253 -0.818 552 HG13 ILE 70 2HG1 ILE 70 -9.831 -2.887 0.170 553 HG21 ILE 70 1HG2 ILE 70 -7.335 -4.447 -2.535 554 HG22 ILE 70 2HG2 ILE 70 -7.191 -5.790 -1.375 555 HG23 ILE 70 3HG2 ILE 70 -8.762 -5.431 -2.130 556 HD11 ILE 70 1HD1 ILE 70 -9.285 -1.546 -1.697 557 HD12 ILE 70 2HD1 ILE 70 -9.086 -2.954 -2.768 558 HD13 ILE 70 3HD1 ILE 70 -10.714 -2.445 -2.262 559 H LEU 71 H LEU 71 -5.654 -3.630 0.865 560 HA LEU 71 HA LEU 71 -3.984 -5.632 0.153 561 HB2 LEU 71 1HB LEU 71 -3.254 -3.376 0.447 562 HB3 LEU 71 2HB LEU 71 -3.607 -3.416 2.163 563 HG LEU 71 HG LEU 71 -1.150 -3.634 1.309 564 HD11 LEU 71 1HD1 LEU 71 -2.553 -4.844 3.596 565 HD12 LEU 71 2HD1 LEU 71 -0.946 -5.531 3.260 566 HD13 LEU 71 3HD1 LEU 71 -1.124 -3.783 3.545 567 HD21 LEU 71 1HD2 LEU 71 -1.612 -6.576 1.375 568 HD22 LEU 71 2HD2 LEU 71 -2.028 -5.704 -0.120 569 HD23 LEU 71 3HD2 LEU 71 -0.372 -5.621 0.526 570 H GLN 72 H GLN 72 -5.199 -4.936 3.497 571 HA GLN 72 HA GLN 72 -3.842 -6.810 4.850 572 HB2 GLN 72 1HB GLN 72 -5.373 -5.229 5.923 573 HB3 GLN 72 2HB GLN 72 -6.760 -5.988 5.169 574 HG2 GLN 72 1HG GLN 72 -6.893 -7.164 7.131 575 HG3 GLN 72 2HG GLN 72 -5.655 -8.170 6.406 576 HE21 GLN 72 1HE2 GLN 72 -3.634 -8.201 7.197 577 HE22 GLN 72 2HE2 GLN 72 -3.085 -7.310 8.577 578 H ALA 73 H ALA 73 -6.795 -7.286 2.833 579 HA ALA 73 HA ALA 73 -7.302 -9.923 3.508 580 HB1 ALA 73 1HB ALA 73 -8.446 -8.043 1.912 581 HB2 ALA 73 2HB ALA 73 -7.711 -9.094 0.677 582 HB3 ALA 73 3HB ALA 73 -8.866 -9.772 1.850 583 H GLY 74 H GLY 74 -4.889 -8.453 1.319 584 HA2 GLY 74 1HA GLY 74 -4.137 -10.622 -0.199 585 HA3 GLY 74 2HA GLY 74 -3.074 -9.332 0.325 586 H PHE 75 H PHE 75 -3.435 -9.875 3.240 587 HA PHE 75 HA PHE 75 -1.436 -11.905 3.436 588 HB2 PHE 75 1HB PHE 75 -3.070 -10.147 5.348 589 HB3 PHE 75 2HB PHE 75 -1.919 -11.315 5.966 590 HD1 PHE 75 1HD PHE 75 -0.887 -9.906 2.854 591 HD2 PHE 75 2HD PHE 75 -0.952 -9.203 7.039 592 HE1 PHE 75 1HE PHE 75 0.958 -8.223 2.600 593 HE2 PHE 75 2HE PHE 75 0.893 -7.520 6.785 594 HZ PHE 75 HZ PHE 75 1.826 -7.050 4.569 595 H LYS 76 H LYS 76 -4.855 -11.501 4.590 596 HA LYS 76 HA LYS 76 -4.907 -14.172 5.608 597 HB2 LYS 76 1HB LYS 76 -7.211 -13.666 6.181 598 HB3 LYS 76 2HB LYS 76 -6.159 -12.354 6.673 599 HG2 LYS 76 1HG LYS 76 -7.141 -10.865 5.240 600 HG3 LYS 76 2HG LYS 76 -7.174 -12.014 3.917 601 HD2 LYS 76 1HD LYS 76 -9.451 -11.890 4.289 602 HD3 LYS 76 2HD LYS 76 -9.085 -13.158 5.442 603 HE2 LYS 76 1HE LYS 76 -8.896 -11.470 7.266 604 HE3 LYS 76 2HE LYS 76 -9.207 -10.180 6.121 605 HZ1 LYS 76 1HZ LYS 76 -11.219 -10.744 7.180 606 HZ2 LYS 76 2HZ LYS 76 -11.340 -11.291 5.646 607 HZ3 LYS 76 3HZ LYS 76 -11.052 -12.338 6.866 608 H ARG 77 H ARG 77 -3.981 -14.684 3.207 609 HA ARG 77 HA ARG 77 -6.128 -16.084 2.021 610 HB2 ARG 77 1HB ARG 77 -4.904 -13.683 0.616 611 HB3 ARG 77 2HB ARG 77 -5.498 -15.032 -0.332 612 HG2 ARG 77 1HG ARG 77 -7.630 -14.684 1.350 613 HG3 ARG 77 2HG ARG 77 -7.023 -13.041 1.306 614 HD2 ARG 77 1HD ARG 77 -7.205 -12.949 -1.126 615 HD3 ARG 77 2HD ARG 77 -7.529 -14.668 -1.227 616 HE ARG 77 HE ARG 77 -9.756 -14.297 -0.507 617 HH11 ARG 77 2HH2 ARG 77 -7.862 -11.341 -0.259 618 HH12 ARG 77 1HH2 ARG 77 -9.242 -10.327 -0.005 619 HH21 ARG 77 2HH1 ARG 77 -11.577 -12.958 -0.171 620 HH22 ARG 77 1HH1 ARG 77 -11.370 -11.253 0.045 621 H MET 78 H MET 78 -2.755 -14.816 1.766 622 HA MET 78 HA MET 78 -1.966 -17.183 0.329 623 HB2 MET 78 1HB MET 78 -0.268 -14.850 1.371 624 HB3 MET 78 2HB MET 78 0.212 -16.008 0.147 625 HG2 MET 78 1HG MET 78 -2.000 -13.916 -0.089 626 HG3 MET 78 2HG MET 78 -0.484 -13.944 -0.967 627 HE1 MET 78 1HE MET 78 -0.240 -17.055 -2.427 628 HE2 MET 78 2HE MET 78 -0.785 -16.045 -3.788 629 HE3 MET 78 3HE MET 78 0.250 -15.346 -2.519 630 H GLY 79 H GLY 79 -1.038 -15.454 3.394 631 HA2 GLY 79 1HA GLY 79 -1.108 -17.388 5.204 632 HA3 GLY 79 2HA GLY 79 0.345 -17.841 4.336 633 H VAL 80 H VAL 80 -1.216 -14.847 5.698 634 HA VAL 80 HA VAL 80 1.318 -14.257 7.012 635 HB VAL 80 HB VAL 80 -0.179 -12.289 5.270 636 HG11 VAL 80 1HG1 VAL 80 2.528 -11.874 6.545 637 HG12 VAL 80 2HG1 VAL 80 1.416 -10.667 5.857 638 HG13 VAL 80 3HG1 VAL 80 1.021 -11.466 7.398 639 HG21 VAL 80 1HG2 VAL 80 2.030 -12.337 3.964 640 HG22 VAL 80 2HG2 VAL 80 2.365 -13.861 4.821 641 HG23 VAL 80 3HG2 VAL 80 0.935 -13.728 3.770 642 H ASP 81 H ASP 81 0.861 -14.019 9.132 643 HA ASP 81 HA ASP 81 -1.850 -13.225 9.786 644 HB2 ASP 81 1HB ASP 81 0.309 -14.821 11.119 645 HB3 ASP 81 2HB ASP 81 -0.698 -13.866 12.189 646 H LYS 82 H LYS 82 -0.940 -10.951 9.019 647 HA LYS 82 HA LYS 82 0.459 -9.693 11.276 648 HB2 LYS 82 1HB LYS 82 1.898 -9.545 9.418 649 HB3 LYS 82 2HB LYS 82 0.591 -9.191 8.306 650 HG2 LYS 82 1HG LYS 82 1.621 -7.080 8.662 651 HG3 LYS 82 2HG LYS 82 0.199 -7.030 9.684 652 HD2 LYS 82 1HD LYS 82 1.492 -7.497 11.678 653 HD3 LYS 82 2HD LYS 82 2.905 -7.945 10.743 654 HE2 LYS 82 1HE LYS 82 3.192 -5.629 9.960 655 HE3 LYS 82 2HE LYS 82 1.683 -5.145 10.708 656 HZ1 LYS 82 1HZ LYS 82 2.762 -4.836 12.582 657 HZ2 LYS 82 2HZ LYS 82 3.288 -6.382 12.620 658 HZ3 LYS 82 3HZ LYS 82 4.177 -5.236 11.870 659 H ILE 83 H ILE 83 -0.457 -7.888 12.240 660 HA ILE 83 HA ILE 83 -3.196 -7.341 11.369 661 HB ILE 83 HB ILE 83 -1.770 -6.925 13.995 662 HG12 ILE 83 1HG1 ILE 83 -3.488 -9.033 12.869 663 HG13 ILE 83 2HG1 ILE 83 -2.327 -9.099 14.179 664 HG21 ILE 83 1HG2 ILE 83 -3.586 -5.811 14.872 665 HG22 ILE 83 2HG2 ILE 83 -3.519 -5.139 13.225 666 HG23 ILE 83 3HG2 ILE 83 -4.701 -6.410 13.620 667 HD11 ILE 83 1HD1 ILE 83 -4.078 -7.717 15.544 668 HD12 ILE 83 2HD1 ILE 83 -5.226 -8.210 14.277 669 HD13 ILE 83 3HD1 ILE 83 -4.405 -9.444 15.262 670 H ILE 84 H ILE 84 -3.036 -5.828 9.738 671 HA ILE 84 HA ILE 84 -1.128 -3.744 9.815 672 HB ILE 84 HB ILE 84 -3.628 -4.164 8.177 673 HG12 ILE 84 1HG1 ILE 84 -0.698 -4.696 7.611 674 HG13 ILE 84 2HG1 ILE 84 -1.957 -5.894 7.832 675 HG21 ILE 84 1HG2 ILE 84 -2.559 -1.737 8.521 676 HG22 ILE 84 2HG2 ILE 84 -1.472 -2.339 7.246 677 HG23 ILE 84 3HG2 ILE 84 -3.229 -2.288 6.967 678 HD11 ILE 84 1HD1 ILE 84 -3.062 -4.308 5.848 679 HD12 ILE 84 2HD1 ILE 84 -1.326 -4.239 5.457 680 HD13 ILE 84 3HD1 ILE 84 -2.154 -5.812 5.560 681 HA PRO 85 HA PRO 85 -3.240 -1.024 12.437 682 HB2 PRO 85 1HB PRO 85 -1.747 1.228 12.025 683 HB3 PRO 85 2HB PRO 85 -1.267 -0.053 13.120 684 HG2 PRO 85 1HG PRO 85 -0.210 0.583 10.433 685 HG3 PRO 85 2HG PRO 85 0.516 -0.390 11.696 686 HD2 PRO 85 1HD PRO 85 -0.784 -1.347 9.325 687 HD3 PRO 85 2HD PRO 85 -0.161 -2.319 10.644 688 H VAL 86 H VAL 86 -2.370 0.486 9.357 689 HA VAL 86 HA VAL 86 -3.577 1.670 7.936 690 HB VAL 86 HB VAL 86 -5.940 0.330 9.267 691 HG11 VAL 86 1HG1 VAL 86 -6.945 0.702 6.924 692 HG12 VAL 86 2HG1 VAL 86 -6.839 2.105 8.015 693 HG13 VAL 86 3HG1 VAL 86 -5.652 1.905 6.704 694 HG21 VAL 86 1HG2 VAL 86 -4.514 -1.397 8.490 695 HG22 VAL 86 2HG2 VAL 86 -5.760 -1.200 7.234 696 HG23 VAL 86 3HG2 VAL 86 -4.134 -0.518 6.990 697 H ASP 87 H ASP 87 -5.963 1.705 10.658 698 HA ASP 87 HA ASP 87 -6.712 4.214 10.543 699 HB2 ASP 87 1HB ASP 87 -7.432 2.531 12.261 700 HB3 ASP 87 2HB ASP 87 -5.927 2.778 13.124 701 H LYS 88 H LYS 88 -3.540 2.999 11.604 702 HA LYS 88 HA LYS 88 -2.742 5.558 12.682 703 HB2 LYS 88 1HB LYS 88 -0.934 3.188 12.239 704 HB3 LYS 88 2HB LYS 88 -0.804 4.464 13.432 705 HG2 LYS 88 1HG LYS 88 -2.893 3.635 14.542 706 HG3 LYS 88 2HG LYS 88 -3.013 2.354 13.352 707 HD2 LYS 88 1HD LYS 88 -1.954 1.361 15.263 708 HD3 LYS 88 2HD LYS 88 -0.679 1.585 14.082 709 HE2 LYS 88 1HE LYS 88 0.368 2.492 15.952 710 HE3 LYS 88 2HE LYS 88 -0.375 3.942 15.306 711 HZ1 LYS 88 1HZ LYS 88 -1.219 4.048 17.352 712 HZ2 LYS 88 2HZ LYS 88 -2.335 2.991 16.802 713 HZ3 LYS 88 3HZ LYS 88 -1.054 2.453 17.661 714 H LEU 89 H LEU 89 -1.901 3.403 9.891 715 HA LEU 89 HA LEU 89 -0.037 5.126 8.760 716 HB2 LEU 89 1HB LEU 89 -1.844 3.160 7.350 717 HB3 LEU 89 2HB LEU 89 -0.333 3.812 6.749 718 HG LEU 89 HG LEU 89 -0.499 2.160 9.277 719 HD11 LEU 89 1HD1 LEU 89 0.094 1.160 6.478 720 HD12 LEU 89 2HD1 LEU 89 0.147 0.211 7.982 721 HD13 LEU 89 3HD1 LEU 89 -1.403 0.857 7.392 722 HD21 LEU 89 1HD2 LEU 89 1.790 2.967 7.466 723 HD22 LEU 89 2HD2 LEU 89 1.511 3.454 9.156 724 HD23 LEU 89 3HD2 LEU 89 1.916 1.764 8.772 725 H VAL 90 H VAL 90 -3.605 4.809 8.238 726 HA VAL 90 HA VAL 90 -3.752 6.787 6.269 727 HB VAL 90 HB VAL 90 -6.122 6.734 6.695 728 HG11 VAL 90 1HG1 VAL 90 -4.542 4.505 6.061 729 HG12 VAL 90 2HG1 VAL 90 -5.769 3.895 7.198 730 HG13 VAL 90 3HG1 VAL 90 -6.272 4.735 5.710 731 HG21 VAL 90 1HG2 VAL 90 -5.262 5.819 9.376 732 HG22 VAL 90 2HG2 VAL 90 -6.695 6.754 8.882 733 HG23 VAL 90 3HG2 VAL 90 -6.683 4.983 8.704 734 H LYS 91 H LYS 91 -3.354 6.913 9.762 735 HA LYS 91 HA LYS 91 -4.231 9.657 9.914 736 HB2 LYS 91 1HB LYS 91 -3.326 7.558 11.847 737 HB3 LYS 91 2HB LYS 91 -3.174 9.239 12.319 738 HG2 LYS 91 1HG LYS 91 -5.624 9.559 11.662 739 HG3 LYS 91 2HG LYS 91 -5.728 7.827 11.422 740 HD2 LYS 91 1HD LYS 91 -6.260 7.696 13.631 741 HD3 LYS 91 2HD LYS 91 -4.560 7.987 13.944 742 HE2 LYS 91 1HE LYS 91 -6.272 10.406 13.432 743 HE3 LYS 91 2HE LYS 91 -6.527 9.568 14.950 744 HZ1 LYS 91 1HZ LYS 91 -4.454 11.269 14.283 745 HZ2 LYS 91 2HZ LYS 91 -4.694 10.490 15.698 746 HZ3 LYS 91 3HZ LYS 91 -3.793 9.795 14.526 747 H GLY 92 H GLY 92 -1.418 7.936 8.959 748 HA2 GLY 92 1HA GLY 92 0.560 8.748 8.212 749 HA3 GLY 92 2HA GLY 92 0.056 10.371 8.637 750 H LYS 93 H LYS 93 0.821 7.249 10.352 751 HA LYS 93 HA LYS 93 2.137 8.854 12.414 752 HB2 LYS 93 1HB LYS 93 0.751 6.207 12.372 753 HB3 LYS 93 2HB LYS 93 2.074 6.415 13.502 754 HG2 LYS 93 1HG LYS 93 0.329 8.771 13.507 755 HG3 LYS 93 2HG LYS 93 -0.596 7.315 13.820 756 HD2 LYS 93 1HD LYS 93 0.147 7.375 15.961 757 HD3 LYS 93 2HD LYS 93 1.752 7.000 15.367 758 HE2 LYS 93 1HE LYS 93 2.385 9.313 15.264 759 HE3 LYS 93 2HE LYS 93 0.724 9.862 15.361 760 HZ1 LYS 93 1HZ LYS 93 0.907 8.511 17.608 761 HZ2 LYS 93 2HZ LYS 93 2.467 8.972 17.467 762 HZ3 LYS 93 3HZ LYS 93 1.283 10.096 17.499 763 H PHE 94 H PHE 94 3.969 9.310 10.963 764 HA PHE 94 HA PHE 94 5.505 7.717 9.553 765 HB2 PHE 94 1HB PHE 94 6.177 10.002 10.006 766 HB3 PHE 94 2HB PHE 94 6.134 9.756 11.740 767 HD1 PHE 94 1HD PHE 94 8.025 8.816 8.685 768 HD2 PHE 94 2HD PHE 94 8.087 9.207 12.910 769 HE1 PHE 94 1HE PHE 94 10.500 8.398 8.688 770 HE2 PHE 94 2HE PHE 94 10.562 8.789 12.913 771 HZ PHE 94 HZ PHE 94 11.739 8.389 10.802 772 H GLN 95 H GLN 95 5.359 7.672 13.154 773 HA GLN 95 HA GLN 95 7.491 5.956 13.523 774 HB2 GLN 95 1HB GLN 95 6.406 7.281 15.326 775 HB3 GLN 95 2HB GLN 95 4.968 6.287 15.206 776 HG2 GLN 95 1HG GLN 95 6.348 5.491 17.073 777 HG3 GLN 95 2HG GLN 95 6.307 4.266 15.820 778 HE21 GLN 95 1HE2 GLN 95 8.217 6.341 17.712 779 HE22 GLN 95 2HE2 GLN 95 9.774 6.006 17.029 780 H ASP 96 H ASP 96 3.926 5.230 13.393 781 HA ASP 96 HA ASP 96 4.473 2.444 13.342 782 HB2 ASP 96 1HB ASP 96 2.207 4.172 13.764 783 HB3 ASP 96 2HB ASP 96 1.790 3.083 12.456 784 H ASN 97 H ASN 97 4.926 4.831 11.095 785 HA ASN 97 HA ASN 97 3.739 3.399 8.885 786 HB2 ASN 97 1HB ASN 97 4.228 6.143 9.438 787 HB3 ASN 97 2HB ASN 97 5.381 5.741 8.181 788 HD21 ASN 97 1HD2 ASN 97 2.121 6.334 8.991 789 HD22 ASN 97 2HD2 ASN 97 1.396 6.111 7.434 790 H PHE 98 H PHE 98 6.818 4.191 10.486 791 HA PHE 98 HA PHE 98 8.356 3.124 8.263 792 HB2 PHE 98 1HB PHE 98 8.928 5.243 9.630 793 HB3 PHE 98 2HB PHE 98 9.154 4.212 11.029 794 HD1 PHE 98 2HD PHE 98 10.823 2.148 10.534 795 HD2 PHE 98 1HD PHE 98 10.823 5.864 8.484 796 HE1 PHE 98 2HE PHE 98 13.220 1.788 9.881 797 HE2 PHE 98 1HE PHE 98 13.220 5.504 7.832 798 HZ PHE 98 HZ PHE 98 14.390 3.471 8.538 799 H GLU 99 H GLU 99 7.230 2.315 11.541 800 HA GLU 99 HA GLU 99 9.029 0.100 11.718 801 HB2 GLU 99 1HB GLU 99 6.684 0.904 13.496 802 HB3 GLU 99 2HB GLU 99 7.861 -0.337 13.878 803 HG2 GLU 99 1HG GLU 99 8.805 2.465 13.204 804 HG3 GLU 99 2HG GLU 99 8.187 2.124 14.807 805 H PHE 100 H PHE 100 6.180 0.726 10.030 806 HA PHE 100 HA PHE 100 5.212 -2.017 10.319 807 HB2 PHE 100 1HB PHE 100 3.462 -0.364 10.555 808 HB3 PHE 100 2HB PHE 100 4.157 0.668 9.320 809 HD1 PHE 100 1HD PHE 100 4.011 -0.083 6.900 810 HD2 PHE 100 2HD PHE 100 1.804 -1.943 10.011 811 HE1 PHE 100 1HE PHE 100 2.436 -1.052 5.203 812 HE2 PHE 100 2HE PHE 100 0.229 -2.913 8.313 813 HZ PHE 100 HZ PHE 100 0.564 -2.455 5.930 814 H VAL 101 H VAL 101 6.861 0.222 8.148 815 HA VAL 101 HA VAL 101 6.345 -1.413 5.826 816 HB VAL 101 HB VAL 101 6.429 1.028 5.691 817 HG11 VAL 101 1HG1 VAL 101 9.391 1.118 5.978 818 HG12 VAL 101 2HG1 VAL 101 8.159 2.341 6.373 819 HG13 VAL 101 3HG1 VAL 101 8.442 0.973 7.477 820 HG21 VAL 101 1HG2 VAL 101 8.120 1.180 3.803 821 HG22 VAL 101 2HG2 VAL 101 8.566 -0.501 4.184 822 HG23 VAL 101 3HG2 VAL 101 6.909 -0.116 3.661 823 H GLN 102 H GLN 102 8.973 -0.733 8.181 824 HA GLN 102 HA GLN 102 10.968 -2.073 6.833 825 HB2 GLN 102 1HB GLN 102 12.177 -2.022 8.917 826 HB3 GLN 102 2HB GLN 102 11.221 -0.555 8.844 827 HG2 GLN 102 1HG GLN 102 9.707 -1.283 10.488 828 HG3 GLN 102 2HG GLN 102 9.991 -2.980 10.154 829 HE21 GLN 102 1HE2 GLN 102 11.618 -0.046 11.320 830 HE22 GLN 102 2HE2 GLN 102 12.622 -0.803 12.510 831 H TRP 103 H TRP 103 8.172 -3.243 8.619 832 HA TRP 103 HA TRP 103 9.283 -5.882 8.988 833 HB2 TRP 103 1HB TRP 103 7.877 -5.131 10.722 834 HB3 TRP 103 2HB TRP 103 6.635 -4.592 9.609 835 HD1 TRP 103 HD TRP 103 7.752 -7.680 11.507 836 HE1 TRP 103 1HE TRP 103 6.109 -9.714 11.154 837 HE3 TRP 103 3HE TRP 103 5.102 -5.560 7.721 838 HZ2 TRP 103 2HZ TRP 103 3.935 -10.198 9.370 839 HZ3 TRP 103 3HZ TRP 103 3.235 -6.880 6.729 840 HH2 TRP 103 HH TRP 103 2.637 -9.123 7.494 841 H PHE 104 H PHE 104 6.803 -4.175 6.974 842 HA PHE 104 HA PHE 104 5.840 -6.340 5.595 843 HB2 PHE 104 1HB PHE 104 6.019 -3.406 5.415 844 HB3 PHE 104 2HB PHE 104 6.140 -4.096 3.808 845 HD1 PHE 104 1HD PHE 104 4.015 -4.120 6.857 846 HD2 PHE 104 2HD PHE 104 4.217 -4.782 2.670 847 HE1 PHE 104 1HE PHE 104 1.519 -4.373 6.776 848 HE2 PHE 104 2HE PHE 104 1.721 -5.034 2.589 849 HZ PHE 104 HZ PHE 104 0.402 -4.827 4.643 850 H LYS 105 H LYS 105 8.688 -4.236 4.808 851 HA LYS 105 HA LYS 105 9.314 -5.484 2.404 852 HB2 LYS 105 1HB LYS 105 10.200 -3.317 3.001 853 HB3 LYS 105 2HB LYS 105 11.032 -3.978 4.394 854 HG2 LYS 105 1HG LYS 105 12.592 -5.191 3.041 855 HG3 LYS 105 2HG LYS 105 11.592 -5.056 1.608 856 HD2 LYS 105 1HD LYS 105 12.408 -2.982 1.080 857 HD3 LYS 105 2HD LYS 105 12.330 -2.422 2.739 858 HE2 LYS 105 1HE LYS 105 14.501 -4.252 1.604 859 HE3 LYS 105 2HE LYS 105 14.682 -2.532 1.890 860 HZ1 LYS 105 1HZ LYS 105 13.742 -4.050 4.138 861 HZ2 LYS 105 2HZ LYS 105 15.271 -4.385 3.673 862 HZ3 LYS 105 3HZ LYS 105 14.856 -2.858 4.078 863 H LYS 106 H LYS 106 10.784 -5.990 5.693 864 HA LYS 106 HA LYS 106 12.478 -7.993 5.149 865 HB2 LYS 106 1HB LYS 106 11.050 -7.017 7.464 866 HB3 LYS 106 2HB LYS 106 11.190 -8.761 7.546 867 HG2 LYS 106 1HG LYS 106 13.180 -7.846 8.572 868 HG3 LYS 106 2HG LYS 106 13.668 -8.530 7.034 869 HD2 LYS 106 1HD LYS 106 12.828 -5.675 6.893 870 HD3 LYS 106 2HD LYS 106 14.255 -5.959 7.871 871 HE2 LYS 106 1HE LYS 106 14.542 -7.549 5.492 872 HE3 LYS 106 2HE LYS 106 14.018 -5.957 4.981 873 HZ1 LYS 106 1HZ LYS 106 15.821 -5.242 6.701 874 HZ2 LYS 106 2HZ LYS 106 16.442 -6.715 6.367 875 HZ3 LYS 106 3HZ LYS 106 16.227 -5.628 5.167 876 H PHE 107 H PHE 107 8.998 -8.547 6.060 877 HA PHE 107 HA PHE 107 8.942 -11.233 5.642 878 HB2 PHE 107 1HB PHE 107 7.179 -9.300 6.349 879 HB3 PHE 107 2HB PHE 107 6.710 -9.401 4.664 880 HD1 PHE 107 2HD PHE 107 5.847 -11.581 3.764 881 HD2 PHE 107 1HD PHE 107 6.487 -10.944 7.910 882 HE1 PHE 107 2HE PHE 107 4.366 -13.537 4.293 883 HE2 PHE 107 1HE PHE 107 5.006 -12.900 8.439 884 HZ PHE 107 HZ PHE 107 3.962 -14.173 6.625 885 H PHE 108 H PHE 108 8.053 -8.679 3.204 886 HA PHE 108 HA PHE 108 7.471 -10.250 1.098 887 HB2 PHE 108 1HB PHE 108 8.689 -7.563 1.626 888 HB3 PHE 108 2HB PHE 108 9.037 -8.173 0.020 889 HD1 PHE 108 2HD PHE 108 6.075 -7.957 2.296 890 HD2 PHE 108 1HD PHE 108 7.599 -7.495 -1.637 891 HE1 PHE 108 2HE PHE 108 3.820 -7.182 1.513 892 HE2 PHE 108 1HE PHE 108 5.344 -6.720 -2.420 893 HZ PHE 108 HZ PHE 108 3.481 -6.573 -0.835 894 H ASP 109 H ASP 109 10.792 -9.165 2.084 895 HA ASP 109 HA ASP 109 12.154 -10.250 0.002 896 HB2 ASP 109 1HB ASP 109 12.981 -8.830 2.010 897 HB3 ASP 109 2HB ASP 109 13.122 -10.338 2.890 898 H SER 110 H SER 110 11.417 -11.708 3.264 899 HA SER 110 HA SER 110 12.605 -14.096 2.973 900 HB2 SER 110 1HB SER 110 11.499 -13.394 5.041 901 HB3 SER 110 2HB SER 110 9.924 -13.454 4.275 902 HG SER 110 HG SER 110 10.128 -15.747 4.060 903 H GLY 111 H GLY 111 11.524 -16.328 2.600 904 HA2 GLY 111 1HA GLY 111 9.532 -17.335 1.503 905 HA3 GLY 111 2HA GLY 111 9.752 -16.144 0.237 906 HA PRO 112 HA PRO 112 12.548 -19.881 -0.307 907 HB2 PRO 112 1HB PRO 112 10.956 -21.810 -1.410 908 HB3 PRO 112 2HB PRO 112 11.395 -21.784 0.286 909 HG2 PRO 112 1HG PRO 112 8.817 -21.070 -0.972 910 HG3 PRO 112 2HG PRO 112 9.150 -21.459 0.704 911 HD2 PRO 112 1HD PRO 112 8.709 -18.847 -0.397 912 HD3 PRO 112 2HD PRO 112 9.157 -19.227 1.254 913 H SER 113 H SER 113 9.790 -19.395 -2.466 914 HA SER 113 HA SER 113 11.581 -18.303 -4.389 915 HB2 SER 113 1HB SER 113 11.828 -20.770 -4.769 916 HB3 SER 113 2HB SER 113 10.102 -20.889 -5.049 917 HG SER 113 HG SER 113 11.848 -19.170 -6.592 918 H SER 114 H SER 114 10.471 -16.704 -5.483 919 HA SER 114 HA SER 114 7.699 -16.448 -4.920 920 HB2 SER 114 1HB SER 114 8.885 -14.401 -4.922 921 HB3 SER 114 2HB SER 114 9.766 -14.795 -6.385 922 HG SER 114 HG SER 114 7.755 -13.227 -6.366 923 H GLY 115 H GLY 115 9.656 -16.541 -7.997 924 HA2 GLY 115 1HA GLY 115 7.461 -18.055 -9.247 925 HA3 GLY 115 2HA GLY 115 8.049 -16.587 -10.001
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