NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
559998 | 2m4l | 19012 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -11.409 -11.110 13.140 2 HA2 GLY 1 1HA GLY 1 -13.599 -9.164 13.455 3 HA3 GLY 1 2HA GLY 1 -12.011 -9.096 14.239 4 H GLU 2 H GLU 2 -10.409 -7.839 13.188 5 HA GLU 2 HA GLU 2 -10.922 -6.927 10.401 6 HB3 GLU 2 2HB GLU 2 -8.823 -5.652 10.758 7 HG3 GLU 2 2HG GLU 2 -11.444 -4.992 11.572 8 H ASP 3 H ASP 3 -10.573 -8.634 9.145 9 HA ASP 3 HA ASP 3 -8.246 -10.425 9.638 10 HB3 ASP 3 2HB ASP 3 -9.466 -11.973 8.161 11 H TRP 4 H TRP 4 -6.624 -9.379 8.681 12 HA TRP 4 HA TRP 4 -7.002 -7.949 6.123 13 HB3 TRP 4 2HB TRP 4 -4.678 -7.116 6.651 14 HD1 TRP 4 HD TRP 4 -6.339 -6.471 9.952 15 HE1 TRP 4 1HE TRP 4 -7.296 -4.064 9.988 16 HE3 TRP 4 3HE TRP 4 -6.311 -5.626 5.025 17 HZ2 TRP 4 2HZ TRP 4 -7.769 -1.909 7.948 18 HZ3 TRP 4 3HZ TRP 4 -6.965 -3.410 4.036 19 HH2 TRP 4 HH TRP 4 -7.609 -1.559 5.552 20 H THR 5 H THR 5 -5.226 -8.308 4.416 21 HA THR 5 HA THR 5 -4.468 -11.183 4.342 22 HB THR 5 HB THR 5 -3.843 -10.724 1.984 23 HG1 THR 5 1HG THR 5 -4.348 -8.144 2.699 24 HG21 THR 5 3HG2 THR 5 -6.689 -9.923 2.621 25 HG22 THR 5 1HG2 THR 5 -6.085 -11.589 2.506 26 HG23 THR 5 2HG2 THR 5 -6.080 -10.553 1.075 27 H GLU 6 H GLU 6 -2.333 -11.658 3.447 28 HA GLU 6 HA GLU 6 -0.110 -10.239 4.626 29 HB3 GLU 6 2HB GLU 6 1.086 -11.427 2.613 30 HG3 GLU 6 2HG GLU 6 0.705 -12.139 5.252 31 H LEU 7 H LEU 7 0.422 -8.336 4.134 32 HA LEU 7 HA LEU 7 0.175 -6.842 1.670 33 HB3 LEU 7 2HB LEU 7 2.364 -6.841 3.765 34 HG LEU 7 HG LEU 7 2.736 -5.427 1.651 35 HD11 LEU 7 1HD1 LEU 7 0.482 -4.521 1.291 36 HD12 LEU 7 2HD1 LEU 7 1.599 -3.207 1.698 37 HD13 LEU 7 3HD1 LEU 7 0.488 -3.812 2.934 38 HD21 LEU 7 3HD2 LEU 7 3.950 -5.055 3.667 39 HD22 LEU 7 1HD2 LEU 7 2.563 -4.246 4.437 40 HD23 LEU 7 2HD2 LEU 7 3.448 -3.466 3.081 41 H ASN 8 H ASN 8 1.232 -7.224 -0.219 42 HA ASN 8 HA ASN 8 3.800 -8.611 -0.202 43 HB3 ASN 8 2HB ASN 8 2.444 -10.537 -0.427 44 HD21 ASN 8 1HD2 ASN 8 0.046 -10.235 -0.236 45 HD22 ASN 8 2HD2 ASN 8 -0.898 -10.223 -1.721 46 H SER 9 H SER 9 4.662 -8.701 -2.467 47 HA SER 9 HA SER 9 4.851 -6.194 -3.537 48 HB3 SER 9 2HB SER 9 6.463 -7.172 -4.749 49 HG SER 9 HG SER 9 7.466 -8.642 -3.701 50 H ASN 10 H ASN 10 2.075 -8.042 -4.003 51 HA ASN 10 HA ASN 10 1.776 -6.971 -6.771 52 HB3 ASN 10 2HB ASN 10 0.321 -9.431 -5.860 53 HD21 ASN 10 1HD2 ASN 10 2.719 -8.974 -8.462 54 HD22 ASN 10 2HD2 ASN 10 1.545 -8.502 -9.693 55 H ASN 11 H ASN 11 0.068 -7.539 -3.648 56 HA ASN 11 HA ASN 11 -2.372 -6.376 -4.729 57 HB3 ASN 11 2HB ASN 11 -2.747 -7.894 -3.002 58 HD21 ASN 11 1HD2 ASN 11 -2.815 -8.507 -0.760 59 HD22 ASN 11 2HD2 ASN 11 -1.382 -8.344 0.216 60 H ILE 12 H ILE 12 0.459 -4.968 -3.023 61 HA ILE 12 HA ILE 12 -0.836 -2.541 -2.385 62 HB ILE 12 HB ILE 12 1.198 -3.379 -1.359 63 HG13 ILE 12 2HG1 ILE 12 1.441 -0.584 -2.519 64 HG21 ILE 12 1HG2 ILE 12 3.378 -3.308 -2.341 65 HG22 ILE 12 2HG2 ILE 12 2.364 -4.175 -3.492 66 HG23 ILE 12 3HG2 ILE 12 2.792 -2.468 -3.779 67 HD11 ILE 12 3HD1 ILE 12 1.112 -1.321 0.383 68 HD12 ILE 12 1HD1 ILE 12 0.615 0.158 -0.460 69 HD13 ILE 12 2HD1 ILE 12 -0.319 -1.326 -0.680 70 H ILE 13 H ILE 13 0.235 -3.654 -5.443 71 HA ILE 13 HA ILE 13 1.258 -1.323 -6.545 72 HB ILE 13 HB ILE 13 -0.017 -3.681 -7.979 73 HG13 ILE 13 2HG1 ILE 13 2.178 -4.737 -7.979 74 HG21 ILE 13 1HG2 ILE 13 1.710 -3.172 -9.733 75 HG22 ILE 13 2HG2 ILE 13 0.490 -1.905 -9.550 76 HG23 ILE 13 3HG2 ILE 13 2.110 -1.683 -8.861 77 HD11 ILE 13 3HD1 ILE 13 3.641 -2.771 -7.551 78 HD12 ILE 13 1HD1 ILE 13 2.967 -2.607 -5.933 79 HD13 ILE 13 2HD1 ILE 13 3.904 -4.041 -6.353 80 H GLY 14 H GLY 14 0.436 0.460 -7.299 81 HA2 GLY 14 1HA GLY 14 -1.213 1.355 -8.980 82 HA3 GLY 14 2HA GLY 14 -2.473 0.741 -7.902 83 H TYR 15 H TYR 15 -3.013 3.155 -7.974 84 HA TYR 15 HA TYR 15 -1.317 4.901 -6.291 85 HB3 TYR 15 2HB TYR 15 -3.290 6.509 -6.987 86 HD1 TYR 15 2HD TYR 15 -1.020 4.582 -9.374 87 HD2 TYR 15 1HD TYR 15 -2.242 8.364 -7.716 88 HE1 TYR 15 2HE TYR 15 0.657 5.733 -10.753 89 HE2 TYR 15 1HE TYR 15 -0.541 9.525 -9.074 90 HH TYR 15 HH TYR 15 1.261 9.271 -10.552 91 H TRP 16 H TRP 16 -2.446 6.246 -4.586 92 HA TRP 16 HA TRP 16 -4.799 4.944 -3.370 93 HB3 TRP 16 2HB TRP 16 -3.682 4.662 -1.206 94 HD1 TRP 16 HD TRP 16 -0.782 3.511 -3.406 95 HE1 TRP 16 1HE TRP 16 -0.794 0.940 -3.553 96 HE3 TRP 16 3HE TRP 16 -5.233 2.568 -1.033 97 HZ2 TRP 16 2HZ TRP 16 -2.594 -1.205 -2.990 98 HZ3 TRP 16 3HZ TRP 16 -6.036 0.106 -0.861 99 HH2 TRP 16 HH TRP 16 -4.821 -1.651 -1.921 100 H SER 17 H SER 17 -6.180 6.546 -2.553 101 HA SER 17 HA SER 17 -5.031 9.231 -1.923 102 HB3 SER 17 2HB SER 17 -7.553 8.635 -3.509 103 HG SER 17 HG SER 17 -7.663 10.826 -3.796 104 H THR 18 H THR 18 -6.496 10.589 -0.735 105 HA THR 18 HA THR 18 -8.073 9.187 1.375 106 HB THR 18 HB THR 18 -6.572 10.374 2.594 107 HG1 THR 18 1HG THR 18 -7.590 12.337 3.314 108 HG21 THR 18 3HG2 THR 18 -5.673 12.608 2.198 109 HG22 THR 18 1HG2 THR 18 -6.641 12.749 0.723 110 HG23 THR 18 2HG2 THR 18 -5.329 11.557 0.822 111 H GLY 19 H GLY 19 -8.069 12.285 -0.466 112 HA2 GLY 19 1HA GLY 19 -10.561 12.254 -1.650 113 HA3 GLY 19 2HA GLY 19 -10.679 13.037 -0.037 114 H ILE 20 H ILE 20 -11.053 14.850 -1.876 115 HA ILE 20 HA ILE 20 -8.493 15.678 -3.108 116 HB ILE 20 HB ILE 20 -10.039 16.693 -4.799 117 HG13 ILE 20 2HG1 ILE 20 -12.031 16.790 -3.120 118 HG21 ILE 20 1HG2 ILE 20 -10.510 14.572 -5.880 119 HG22 ILE 20 2HG2 ILE 20 -8.968 14.462 -5.039 120 HG23 ILE 20 3HG2 ILE 20 -10.411 13.702 -4.336 121 HD11 ILE 20 3HD1 ILE 20 -12.473 15.723 -5.928 122 HD12 ILE 20 1HD1 ILE 20 -13.718 16.439 -4.885 123 HD13 ILE 20 2HD1 ILE 20 -12.342 17.420 -5.424 124 H GLU 21 H GLU 21 -9.533 16.698 -0.373 125 HA GLU 21 HA GLU 21 -9.844 19.610 -0.995 126 HB3 GLU 21 2HB GLU 21 -11.022 19.549 1.286 127 HG3 GLU 21 2HG GLU 21 -12.326 17.766 -0.775 128 H GLY 22 H GLY 22 -9.518 20.904 1.098 129 HA2 GLY 22 1HA GLY 22 -8.128 21.896 2.599 130 HA3 GLY 22 2HA GLY 22 -8.384 20.311 3.305 131 H THR 23 H THR 23 -6.590 18.784 3.265 132 HA THR 23 HA THR 23 -4.106 19.542 1.961 133 HB THR 23 HB THR 23 -4.196 18.999 4.958 134 HG1 THR 23 1HG THR 23 -3.051 21.110 4.835 135 HG21 THR 23 3HG2 THR 23 -1.872 19.553 3.078 136 HG22 THR 23 1HG2 THR 23 -2.209 17.998 3.852 137 HG23 THR 23 2HG2 THR 23 -1.739 19.383 4.844 138 H HIS 24 H HIS 24 -4.462 17.761 0.580 139 HA HIS 24 HA HIS 24 -4.947 15.159 1.895 140 HB3 HIS 24 2HB HIS 24 -6.672 15.605 0.330 141 HD1 HIS 24 1HD HIS 24 -6.749 17.945 -0.919 142 HD2 HIS 24 2HD HIS 24 -4.417 14.909 -2.681 143 HE1 HIS 24 1HE HIS 24 -6.348 18.659 -3.356 144 H LYS 25 H LYS 25 -3.949 13.325 0.606 145 HA LYS 25 HA LYS 25 -1.122 13.843 -0.068 146 HB3 LYS 25 2HB LYS 25 -0.689 11.757 1.369 147 HG3 LYS 25 2HG LYS 25 -1.594 14.235 2.913 148 HD3 LYS 25 2HD LYS 25 0.192 11.862 3.629 149 HE3 LYS 25 2HE LYS 25 -0.340 14.380 5.272 150 HZ1 LYS 25 3HZ LYS 25 1.467 13.384 6.623 151 HZ2 LYS 25 1HZ LYS 25 1.454 12.051 5.720 152 HZ3 LYS 25 2HZ LYS 25 0.116 12.415 6.596 153 H LEU 26 H LEU 26 -0.367 12.295 -1.545 154 HA LEU 26 HA LEU 26 -2.324 10.283 -2.530 155 HB3 LEU 26 2HB LEU 26 -0.643 11.691 -4.558 156 HG LEU 26 HG LEU 26 -2.593 11.651 -5.926 157 HD11 LEU 26 1HD1 LEU 26 -3.209 9.378 -6.097 158 HD12 LEU 26 2HD1 LEU 26 -2.732 9.034 -4.438 159 HD13 LEU 26 3HD1 LEU 26 -1.481 9.455 -5.635 160 HD21 LEU 26 3HD2 LEU 26 -4.231 10.803 -3.505 161 HD22 LEU 26 1HD2 LEU 26 -4.822 11.069 -5.165 162 HD23 LEU 26 2HD2 LEU 26 -4.214 12.423 -4.212 163 H LEU 27 H LEU 27 -1.332 8.395 -3.423 164 HA LEU 27 HA LEU 27 1.615 8.152 -3.200 165 HB3 LEU 27 2HB LEU 27 0.804 5.685 -2.402 166 HG LEU 27 HG LEU 27 1.112 8.055 -0.528 167 HD11 LEU 27 1HD1 LEU 27 0.716 5.088 -0.024 168 HD12 LEU 27 2HD1 LEU 27 -0.113 6.471 0.696 169 HD13 LEU 27 3HD1 LEU 27 1.569 6.119 1.115 170 HD21 LEU 27 3HD2 LEU 27 3.345 6.944 -0.083 171 HD22 LEU 27 1HD2 LEU 27 3.169 7.673 -1.671 172 HD23 LEU 27 2HD2 LEU 27 3.042 5.925 -1.512 173 H SER 28 H SER 28 2.471 6.419 -4.460 174 HA SER 28 HA SER 28 0.708 4.732 -6.038 175 HB3 SER 28 2HB SER 28 2.888 6.494 -7.237 176 HG SER 28 HG SER 28 3.151 4.686 -8.313 177 H PHE 29 H PHE 29 1.773 2.870 -6.655 178 HA PHE 29 HA PHE 29 4.571 2.346 -5.977 179 HB3 PHE 29 2HB PHE 29 4.004 0.211 -4.836 180 HD1 PHE 29 2HD PHE 29 5.657 1.725 -3.589 181 HD2 PHE 29 1HD PHE 29 1.398 2.209 -3.244 182 HE1 PHE 29 2HE PHE 29 5.984 3.078 -1.554 183 HE2 PHE 29 1HE PHE 29 1.733 3.664 -1.252 184 HZ PHE 29 HZ PHE 29 4.026 4.076 -0.383 185 H ASP 30 H ASP 30 5.451 1.295 -7.799 186 HA ASP 30 HA ASP 30 3.657 -0.027 -9.712 187 HB3 ASP 30 2HB ASP 30 5.739 0.167 -11.106 188 H GLU 31 H GLU 31 4.544 -2.052 -10.600 189 HA GLU 31 HA GLU 31 5.462 -3.713 -8.386 190 HB3 GLU 31 2HB GLU 31 5.177 -4.892 -11.123 191 HG3 GLU 31 2HG GLU 31 3.368 -6.185 -9.672 192 H ASP 32 H ASP 32 6.815 -2.450 -11.386 193 HA ASP 32 HA ASP 32 9.405 -3.773 -10.718 194 HB3 ASP 32 2HB ASP 32 8.708 -3.555 -13.593 195 H GLY 33 H GLY 33 8.292 -1.064 -10.320 196 HA2 GLY 33 1HA GLY 33 10.588 0.467 -11.420 197 HA3 GLY 33 2HA GLY 33 8.967 1.165 -11.460 198 H THR 34 H THR 34 8.376 2.331 -9.681 199 HA THR 34 HA THR 34 9.841 2.109 -7.119 200 HB THR 34 HB THR 34 9.928 4.688 -7.418 201 HG1 THR 34 1HG THR 34 10.097 5.102 -9.814 202 HG21 THR 34 3HG2 THR 34 11.933 3.222 -7.610 203 HG22 THR 34 1HG2 THR 34 12.004 4.638 -8.664 204 HG23 THR 34 2HG2 THR 34 11.622 3.051 -9.347 205 H GLY 35 H GLY 35 8.781 3.865 -5.593 206 HA2 GLY 35 1HA GLY 35 5.833 3.976 -5.938 207 HA3 GLY 35 2HA GLY 35 6.688 4.152 -4.404 208 H SER 36 H SER 36 4.995 6.104 -5.056 209 HA SER 36 HA SER 36 6.815 8.367 -5.179 210 HB3 SER 36 2HB SER 36 5.629 9.660 -6.810 211 HG SER 36 HG SER 36 6.902 7.497 -7.472 212 H PHE 37 H PHE 37 6.051 10.069 -3.869 213 HA PHE 37 HA PHE 37 3.382 9.736 -2.588 214 HB3 PHE 37 2HB PHE 37 6.077 10.179 -1.284 215 HD1 PHE 37 1HD PHE 37 2.360 10.333 -0.544 216 HD2 PHE 37 2HD PHE 37 6.354 10.793 0.965 217 HE1 PHE 37 1HE PHE 37 1.495 11.521 1.450 218 HE2 PHE 37 2HE PHE 37 5.503 12.087 2.883 219 HZ PHE 37 HZ PHE 37 3.057 12.448 3.142 220 H GLY 38 H GLY 38 2.230 11.604 -2.747 221 HA2 GLY 38 1HA GLY 38 3.709 14.183 -3.067 222 HA3 GLY 38 2HA GLY 38 2.247 13.778 -3.963 223 H ILE 39 H ILE 39 2.404 16.044 -2.362 224 HA ILE 39 HA ILE 39 0.380 15.570 -0.311 225 HB ILE 39 HB ILE 39 2.802 17.303 0.313 226 HG13 ILE 39 2HG1 ILE 39 3.489 14.897 0.347 227 HG21 ILE 39 1HG2 ILE 39 0.454 16.393 2.037 228 HG22 ILE 39 2HG2 ILE 39 1.788 17.441 2.571 229 HG23 ILE 39 3HG2 ILE 39 0.668 18.013 1.348 230 HD11 ILE 39 3HD1 ILE 39 3.274 15.890 3.207 231 HD12 ILE 39 1HD1 ILE 39 4.460 14.780 2.510 232 HD13 ILE 39 2HD1 ILE 39 4.473 16.483 2.029 233 H TYR 40 H TYR 40 -1.096 17.209 -0.410 234 HA TYR 40 HA TYR 40 -0.610 19.396 -2.368 235 HB3 TYR 40 2HB TYR 40 -3.089 19.066 -2.858 236 HD1 TYR 40 1HD TYR 40 -1.399 15.702 -2.660 237 HD2 TYR 40 2HD TYR 40 -2.569 19.019 -5.162 238 HE1 TYR 40 1HE TYR 40 -0.437 14.560 -4.628 239 HE2 TYR 40 2HE TYR 40 -1.631 17.859 -7.132 240 HH TYR 40 HH TYR 40 -0.170 14.636 -6.957 241 H SER 41 H SER 41 -2.127 21.217 -2.021 242 HA SER 41 HA SER 41 -3.582 21.173 0.539 243 HB3 SER 41 2HB SER 41 -2.861 23.910 -0.055 244 HG SER 41 HG SER 41 -3.496 22.830 1.982 245 H ASN 42 H ASN 42 -5.577 21.598 0.159 246 HA ASN 42 HA ASN 42 -7.510 21.611 -0.854 247 HB3 ASN 42 2HB ASN 42 -6.896 24.355 -1.956 248 HD21 ASN 42 1HD2 ASN 42 -8.979 23.715 0.859 249 HD22 ASN 42 2HD2 ASN 42 -10.452 23.626 -0.036 250 H ALA 43 H ALA 43 -5.732 23.350 -3.313 251 HA ALA 43 HA ALA 43 -6.195 21.195 -5.293 252 HB1 ALA 43 1HB ALA 43 -7.157 24.022 -5.850 253 HB2 ALA 43 2HB ALA 43 -7.296 22.585 -6.907 254 HB3 ALA 43 3HB ALA 43 -8.210 22.668 -5.386 255 H THR 44 H THR 44 -3.720 22.034 -4.085 256 HA THR 44 HA THR 44 -2.259 22.732 -6.555 257 HB THR 44 HB THR 44 -1.768 24.017 -3.814 258 HG1 THR 44 1HG THR 44 -3.463 25.003 -4.650 259 HG21 THR 44 3HG2 THR 44 -0.437 24.404 -6.552 260 HG22 THR 44 1HG2 THR 44 0.326 23.782 -5.091 261 HG23 THR 44 2HG2 THR 44 -0.189 25.469 -5.150 262 HA PRO 45 HA PRO 45 0.290 19.373 -4.686 263 HB3 PRO 45 2HB PRO 45 0.699 18.578 -6.836 264 HG3 PRO 45 2HG PRO 45 0.781 20.051 -8.683 265 HD3 PRO 45 2HD PRO 45 -1.223 20.702 -7.676 266 H ILE 46 H ILE 46 1.735 19.679 -3.045 267 HA ILE 46 HA ILE 46 3.497 22.101 -3.109 268 HB ILE 46 HB ILE 46 2.113 20.835 -0.713 269 HG13 ILE 46 2HG1 ILE 46 0.629 22.745 -0.638 270 HG21 ILE 46 1HG2 ILE 46 2.711 23.056 0.373 271 HG22 ILE 46 2HG2 ILE 46 4.075 21.968 0.054 272 HG23 ILE 46 3HG2 ILE 46 3.790 23.365 -1.003 273 HD11 ILE 46 3HD1 ILE 46 0.337 24.235 -2.628 274 HD12 ILE 46 1HD1 ILE 46 1.811 24.567 -1.705 275 HD13 ILE 46 2HD1 ILE 46 1.896 23.686 -3.243 276 H SER 47 H SER 47 3.442 18.610 -2.618 277 HA SER 47 HA SER 47 6.381 18.771 -2.341 278 HB3 SER 47 2HB SER 47 4.742 16.714 -0.826 279 HG SER 47 HG SER 47 6.613 15.951 -0.217 280 H PHE 48 H PHE 48 7.236 16.635 -2.795 281 HA PHE 48 HA PHE 48 5.887 14.629 -4.246 282 HB3 PHE 48 2HB PHE 48 7.865 16.316 -5.858 283 HD1 PHE 48 1HD PHE 48 5.342 13.474 -6.120 284 HD2 PHE 48 2HD PHE 48 8.991 15.222 -7.617 285 HE1 PHE 48 1HE PHE 48 5.533 11.693 -7.799 286 HE2 PHE 48 2HE PHE 48 9.195 13.412 -9.274 287 HZ PHE 48 HZ PHE 48 7.446 11.633 -9.379 288 H GLN 49 H GLN 49 7.204 12.776 -4.055 289 HA GLN 49 HA GLN 49 10.062 12.948 -4.047 290 HB3 GLN 49 2HB GLN 49 9.728 13.234 -1.623 291 HG3 GLN 49 2HG GLN 49 8.288 10.583 -1.624 292 HE21 GLN 49 1HE2 GLN 49 9.885 9.965 0.114 293 HE22 GLN 49 2HE2 GLN 49 9.463 10.525 1.719 294 H MET 50 H MET 50 10.900 10.695 -4.285 295 HA MET 50 HA MET 50 8.865 8.634 -4.829 296 HB3 MET 50 2HB MET 50 10.111 7.810 -6.772 297 HG3 MET 50 2HG MET 50 9.510 10.752 -7.238 298 HE1 MET 50 3HE MET 50 11.361 9.346 -10.484 299 HE2 MET 50 1HE MET 50 11.564 10.318 -9.017 300 HE3 MET 50 2HE MET 50 11.650 8.541 -8.931 301 H PHE 51 H PHE 51 9.889 6.450 -4.723 302 HA PHE 51 HA PHE 51 12.511 6.229 -3.649 303 HB3 PHE 51 2HB PHE 51 11.792 6.727 -1.542 304 HD1 PHE 51 1HD PHE 51 9.906 8.202 -1.307 305 HD2 PHE 51 2HD PHE 51 9.418 3.935 -1.376 306 HE1 PHE 51 1HE PHE 51 7.748 8.436 -0.071 307 HE2 PHE 51 2HE PHE 51 7.286 4.165 -0.101 308 HZ PHE 51 HZ PHE 51 6.458 6.424 0.562 309 H ASP 52 H ASP 52 13.232 4.090 -3.763 310 HA ASP 52 HA ASP 52 11.622 2.104 -5.263 311 HB3 ASP 52 2HB ASP 52 13.583 0.609 -4.317 312 H TYR 53 H TYR 53 11.032 0.041 -4.138 313 HA TYR 53 HA TYR 53 11.480 -0.020 -1.289 314 HB3 TYR 53 2HB TYR 53 9.269 1.171 -1.431 315 HD1 TYR 53 2HD TYR 53 8.529 1.227 -3.902 316 HD2 TYR 53 1HD TYR 53 7.789 -2.127 -1.315 317 HE1 TYR 53 2HE TYR 53 6.974 0.288 -5.595 318 HE2 TYR 53 1HE TYR 53 6.185 -3.065 -2.989 319 HH TYR 53 HH TYR 53 5.769 -1.656 -6.226 320 H LYS 54 H LYS 54 10.796 -2.158 -0.399 321 HA LYS 54 HA LYS 54 10.269 -4.276 -2.388 322 HB3 LYS 54 2HB LYS 54 11.865 -5.819 -1.227 323 HG3 LYS 54 2HG LYS 54 14.042 -4.820 -1.911 324 HD3 LYS 54 2HD LYS 54 11.748 -4.598 -3.913 325 HE3 LYS 54 2HE LYS 54 14.748 -4.346 -4.309 326 HZ1 LYS 54 3HZ LYS 54 12.600 -4.580 -6.292 327 HZ2 LYS 54 1HZ LYS 54 13.890 -5.589 -6.119 328 HZ3 LYS 54 2HZ LYS 54 14.103 -4.009 -6.611 329 H ILE 55 H ILE 55 9.430 -6.250 -1.258 330 HA ILE 55 HA ILE 55 8.174 -5.643 1.361 331 HB ILE 55 HB ILE 55 6.996 -7.364 -0.850 332 HG13 ILE 55 2HG1 ILE 55 5.422 -5.708 -1.378 333 HG21 ILE 55 1HG2 ILE 55 4.921 -7.043 0.646 334 HG22 ILE 55 2HG2 ILE 55 6.187 -8.114 1.250 335 HG23 ILE 55 3HG2 ILE 55 6.027 -6.460 1.894 336 HD11 ILE 55 3HD1 ILE 55 5.079 -4.547 0.776 337 HD12 ILE 55 1HD1 ILE 55 6.722 -3.887 0.662 338 HD13 ILE 55 2HD1 ILE 55 5.481 -3.393 -0.511 339 H GLU 56 H GLU 56 9.989 -6.537 2.422 340 HA GLU 56 HA GLU 56 10.522 -9.440 1.917 341 HB3 GLU 56 2HB GLU 56 12.887 -8.757 2.689 342 HG3 GLU 56 2HG GLU 56 13.322 -7.297 0.551 343 H GLU 57 H GLU 57 8.622 -8.227 3.732 344 HA GLU 57 HA GLU 57 9.157 -9.572 6.085 345 HB3 GLU 57 2HB GLU 57 9.018 -6.853 6.957 346 HG3 GLU 57 2HG GLU 57 10.950 -9.088 7.609 347 H GLY 58 H GLY 58 6.945 -8.767 4.107 348 HA2 GLY 58 1HA GLY 58 4.662 -8.246 4.158 349 HA3 GLY 58 2HA GLY 58 4.652 -8.740 5.852 350 H ARG 59 H ARG 59 6.751 -6.211 4.645 351 HA ARG 59 HA ARG 59 5.071 -3.996 5.577 352 HB3 ARG 59 2HB ARG 59 7.165 -3.032 6.694 353 HG3 ARG 59 2HG ARG 59 6.339 -5.679 7.952 354 HD3 ARG 59 2HD ARG 59 7.384 -3.096 9.191 355 HE ARG 59 HE ARG 59 6.001 -4.197 10.773 356 HH11 ARG 59 1HH1 ARG 59 8.924 -6.199 9.987 357 HH12 ARG 59 2HH1 ARG 59 8.443 -7.445 11.062 358 HH21 ARG 59 1HH2 ARG 59 5.350 -5.959 11.914 359 HH22 ARG 59 2HH2 ARG 59 6.318 -7.410 12.067 360 H ILE 60 H ILE 60 6.019 -1.987 4.674 361 HA ILE 60 HA ILE 60 7.352 -2.396 2.090 362 HB ILE 60 HB ILE 60 7.147 0.295 3.439 363 HG13 ILE 60 2HG1 ILE 60 4.818 -0.774 3.604 364 HG21 ILE 60 1HG2 ILE 60 6.932 -0.718 0.573 365 HG22 ILE 60 2HG2 ILE 60 6.923 0.989 1.037 366 HG23 ILE 60 3HG2 ILE 60 8.357 0.001 1.342 367 HD11 ILE 60 3HD1 ILE 60 5.021 1.713 1.882 368 HD12 ILE 60 1HD1 ILE 60 3.627 1.155 2.839 369 HD13 ILE 60 2HD1 ILE 60 5.105 1.644 3.659 370 H TYR 61 H TYR 61 9.568 -2.365 1.892 371 HA TYR 61 HA TYR 61 11.273 -1.451 4.167 372 HB3 TYR 61 2HB TYR 61 11.919 -3.103 1.683 373 HD1 TYR 61 2HD TYR 61 13.321 -1.820 4.977 374 HD2 TYR 61 1HD TYR 61 14.176 -3.409 1.035 375 HE1 TYR 61 2HE TYR 61 15.699 -1.602 5.420 376 HE2 TYR 61 1HE TYR 61 16.585 -3.168 1.484 377 HH TYR 61 HH TYR 61 17.856 -1.815 4.578 378 H ILE 62 H ILE 62 12.009 0.627 3.863 379 HA ILE 62 HA ILE 62 12.083 1.816 1.139 380 HB ILE 62 HB ILE 62 12.067 3.182 3.865 381 HG13 ILE 62 2HG1 ILE 62 9.741 3.813 3.509 382 HG21 ILE 62 1HG2 ILE 62 13.047 4.583 2.167 383 HG22 ILE 62 2HG2 ILE 62 11.706 4.273 1.046 384 HG23 ILE 62 3HG2 ILE 62 11.438 5.210 2.534 385 HD11 ILE 62 3HD1 ILE 62 8.292 2.594 1.972 386 HD12 ILE 62 1HD1 ILE 62 9.497 3.534 1.081 387 HD13 ILE 62 2HD1 ILE 62 9.694 1.782 1.232 388 H TYR 63 H TYR 63 14.172 2.396 0.455 389 HA TYR 63 HA TYR 63 16.375 2.712 2.352 390 HB3 TYR 63 2HB TYR 63 16.227 0.258 2.141 391 HD1 TYR 63 1HD TYR 63 14.249 -0.378 0.679 392 HD2 TYR 63 2HD TYR 63 18.144 0.554 -0.954 393 HE1 TYR 63 1HE TYR 63 13.583 -1.345 -1.476 394 HE2 TYR 63 2HE TYR 63 17.506 -0.530 -3.077 395 HH TYR 63 HH TYR 63 15.830 -2.358 -3.724 396 H ASP 64 H ASP 64 14.895 3.825 -0.450 397 HA ASP 64 HA ASP 64 17.240 5.307 -1.087 398 HB3 ASP 64 2HB ASP 64 15.797 3.756 -3.295 399 H VAL 65 H VAL 65 16.398 7.276 -1.043 400 HA VAL 65 HA VAL 65 13.649 7.833 -1.937 401 HB VAL 65 HB VAL 65 14.864 9.012 0.607 402 HG11 VAL 65 1HG1 VAL 65 12.073 9.170 -0.577 403 HG12 VAL 65 2HG1 VAL 65 12.531 9.788 1.035 404 HG13 VAL 65 3HG1 VAL 65 13.241 10.503 -0.409 405 HG21 VAL 65 3HG2 VAL 65 14.421 6.683 1.143 406 HG22 VAL 65 1HG2 VAL 65 13.226 7.723 1.926 407 HG23 VAL 65 2HG2 VAL 65 12.785 6.815 0.469 408 H TYR 66 H TYR 66 13.528 10.084 -2.737 409 HA TYR 66 HA TYR 66 16.035 11.631 -2.816 410 HB3 TYR 66 2HB TYR 66 15.399 9.925 -4.962 411 HD1 TYR 66 1HD TYR 66 12.903 10.443 -5.593 412 HD2 TYR 66 2HD TYR 66 16.178 13.146 -6.327 413 HE1 TYR 66 1HE TYR 66 11.486 11.762 -7.152 414 HE2 TYR 66 2HE TYR 66 14.800 14.468 -7.816 415 HH TYR 66 HH TYR 66 12.574 14.882 -8.408 416 HA PRO 67 HA PRO 67 16.483 13.588 -4.252 417 HB3 PRO 67 2HB PRO 67 15.758 15.630 -5.117 418 HG3 PRO 67 2HG PRO 67 14.203 17.023 -3.823 419 HD3 PRO 67 2HD PRO 67 13.253 14.904 -4.486 420 H ASP 68 H ASP 68 15.102 14.293 -1.049 421 HA ASP 68 HA ASP 68 17.842 14.374 0.140 422 HB3 ASP 68 2HB ASP 68 16.342 14.625 2.279 423 H GLU 69 H GLU 69 18.417 12.309 -0.173 424 HA GLU 69 HA GLU 69 16.800 10.011 0.306 425 HB3 GLU 69 2HB GLU 69 18.803 10.024 -1.146 426 HG3 GLU 69 2HG GLU 69 20.465 10.124 1.402 427 H LYS 70 H LYS 70 16.673 8.694 2.111 428 HA LYS 70 HA LYS 70 17.640 9.823 4.693 429 HB3 LYS 70 2HB LYS 70 15.463 9.295 5.667 430 HG3 LYS 70 2HG LYS 70 14.488 10.743 3.250 431 HD3 LYS 70 2HD LYS 70 13.375 10.814 5.537 432 HE3 LYS 70 2HE LYS 70 15.966 12.313 6.084 433 HZ1 LYS 70 3HZ LYS 70 15.007 12.947 8.166 434 HZ2 LYS 70 1HZ LYS 70 13.527 12.414 7.739 435 HZ3 LYS 70 2HZ LYS 70 14.212 13.680 6.912 436 H THR 71 H THR 71 17.388 8.181 6.493 437 HA THR 71 HA THR 71 18.922 5.933 5.930 438 HB THR 71 HB THR 71 18.615 7.090 8.111 439 HG1 THR 71 1HG THR 71 18.921 5.300 9.329 440 HG21 THR 71 3HG2 THR 71 16.185 5.295 8.355 441 HG22 THR 71 1HG2 THR 71 16.111 7.048 8.095 442 HG23 THR 71 2HG2 THR 71 16.808 6.394 9.598 443 HA PRO 72 HA PRO 72 15.810 3.016 4.525 444 HB3 PRO 72 2HB PRO 72 17.474 1.551 3.779 445 HG3 PRO 72 2HG PRO 72 19.559 1.436 4.935 446 HD3 PRO 72 2HD PRO 72 19.168 3.742 4.484 447 H TYR 73 H TYR 73 14.021 2.008 5.493 448 HA TYR 73 HA TYR 73 14.135 0.944 8.194 449 HB3 TYR 73 2HB TYR 73 13.791 3.217 8.839 450 HD1 TYR 73 1HD TYR 73 10.415 2.748 7.286 451 HD2 TYR 73 2HD TYR 73 14.013 5.111 7.380 452 HE1 TYR 73 1HE TYR 73 9.389 4.411 5.768 453 HE2 TYR 73 2HE TYR 73 12.991 6.763 5.872 454 HH TYR 73 HH TYR 73 10.996 7.408 4.718 455 H TYR 74 H TYR 74 11.744 0.254 8.797 456 HA TYR 74 HA TYR 74 10.388 -0.730 6.348 457 HB3 TYR 74 2HB TYR 74 9.502 -2.579 7.779 458 HD1 TYR 74 2HD TYR 74 13.112 -2.359 8.681 459 HD2 TYR 74 1HD TYR 74 10.200 -3.876 5.881 460 HE1 TYR 74 2HE TYR 74 14.834 -3.822 7.698 461 HE2 TYR 74 1HE TYR 74 11.911 -5.415 4.936 462 HH TYR 74 HH TYR 74 15.247 -5.587 6.204 463 H LEU 75 H LEU 75 8.058 -0.862 6.538 464 HA LEU 75 HA LEU 75 6.849 1.051 8.502 465 HB3 LEU 75 2HB LEU 75 5.336 1.704 6.581 466 HG LEU 75 HG LEU 75 8.284 2.319 6.119 467 HD11 LEU 75 1HD1 LEU 75 7.010 2.805 4.132 468 HD12 LEU 75 2HD1 LEU 75 7.339 4.341 4.936 469 HD13 LEU 75 3HD1 LEU 75 5.735 3.609 5.080 470 HD21 LEU 75 3HD2 LEU 75 6.148 3.744 7.737 471 HD22 LEU 75 1HD2 LEU 75 7.688 4.492 7.298 472 HD23 LEU 75 2HD2 LEU 75 7.677 3.077 8.350 473 H ASP 76 H ASP 76 5.505 -0.012 9.763 474 HA ASP 76 HA ASP 76 4.257 -2.547 9.242 475 HB3 ASP 76 2HB ASP 76 2.851 -1.988 11.192 476 H CYS 77 H CYS 77 2.487 -2.879 7.903 477 HA CYS 77 HA CYS 77 0.346 -0.980 7.913 478 HB3 CYS 77 2HB CYS 77 1.488 0.157 6.231 479 HG CYS 77 HG CYS 77 3.533 -1.404 6.005 480 H LYS 78 H LYS 78 -1.490 -1.758 6.683 481 HA LYS 78 HA LYS 78 -1.463 -4.709 6.280 482 HB3 LYS 78 2HB LYS 78 -3.671 -4.926 7.132 483 HG3 LYS 78 2HG LYS 78 -1.582 -3.740 8.948 484 HD3 LYS 78 2HD LYS 78 -4.294 -4.434 10.058 485 HE3 LYS 78 2HE LYS 78 -3.629 -2.835 11.811 486 HZ1 LYS 78 3HZ LYS 78 -1.285 -4.564 11.328 487 HZ2 LYS 78 1HZ LYS 78 -2.617 -5.005 12.204 488 HZ3 LYS 78 2HZ LYS 78 -1.631 -3.777 12.678 489 H ILE 79 H ILE 79 -3.137 -5.451 4.645 490 HA ILE 79 HA ILE 79 -4.483 -3.401 3.074 491 HB ILE 79 HB ILE 79 -2.107 -3.643 2.182 492 HG13 ILE 79 2HG1 ILE 79 -3.911 -2.742 0.869 493 HG21 ILE 79 1HG2 ILE 79 -1.456 -5.616 0.966 494 HG22 ILE 79 2HG2 ILE 79 -1.889 -6.105 2.602 495 HG23 ILE 79 3HG2 ILE 79 -3.011 -6.398 1.262 496 HD11 ILE 79 3HD1 ILE 79 -2.966 -3.054 -1.346 497 HD12 ILE 79 1HD1 ILE 79 -1.600 -3.224 -0.210 498 HD13 ILE 79 2HD1 ILE 79 -2.360 -4.647 -0.938 499 H SER 80 H SER 80 -6.164 -4.378 1.886 500 HA SER 80 HA SER 80 -6.384 -7.367 1.858 501 HB3 SER 80 2HB SER 80 -8.978 -6.906 2.373 502 HG SER 80 HG SER 80 -8.160 -8.319 3.654 503 H GLY 81 H GLY 81 -6.840 -4.504 0.064 504 HA2 GLY 81 1HA GLY 81 -7.098 -5.609 -2.396 505 HA3 GLY 81 2HA GLY 81 -8.780 -5.512 -1.827 506 H THR 82 H THR 82 -9.481 -3.329 -0.925 507 HA THR 82 HA THR 82 -8.284 -1.190 -2.571 508 HB THR 82 HB THR 82 -10.786 -0.402 -2.433 509 HG1 THR 82 1HG THR 82 -12.213 -1.936 -2.008 510 HG21 THR 82 3HG2 THR 82 -9.627 -1.148 -4.497 511 HG22 THR 82 1HG2 THR 82 -11.278 -1.763 -4.443 512 HG23 THR 82 2HG2 THR 82 -9.911 -2.838 -4.067 513 H THR 83 H THR 83 -8.249 -1.929 0.645 514 HA THR 83 HA THR 83 -8.258 0.943 1.490 515 HB THR 83 HB THR 83 -8.676 -1.570 3.111 516 HG1 THR 83 1HG THR 83 -10.742 -1.267 2.974 517 HG21 THR 83 3HG2 THR 83 -7.732 0.384 4.415 518 HG22 THR 83 1HG2 THR 83 -9.326 -0.111 4.979 519 HG23 THR 83 2HG2 THR 83 -9.138 1.343 3.945 520 H LEU 84 H LEU 84 -6.077 1.510 1.460 521 HA LEU 84 HA LEU 84 -3.973 -0.310 2.474 522 HB3 LEU 84 2HB LEU 84 -4.022 2.673 1.824 523 HG LEU 84 HG LEU 84 -2.118 2.616 3.051 524 HD11 LEU 84 1HD1 LEU 84 -0.319 0.699 2.781 525 HD12 LEU 84 2HD1 LEU 84 -1.714 -0.302 2.384 526 HD13 LEU 84 3HD1 LEU 84 -1.640 0.525 3.928 527 HD21 LEU 84 3HD2 LEU 84 -1.240 1.714 0.279 528 HD22 LEU 84 1HD2 LEU 84 -0.234 2.595 1.439 529 HD23 LEU 84 2HD2 LEU 84 -1.679 3.362 0.768 530 H LYS 85 H LYS 85 -3.704 -0.560 4.665 531 HA LYS 85 HA LYS 85 -4.281 1.899 6.330 532 HB3 LYS 85 2HB LYS 85 -4.388 -1.025 7.208 533 HG3 LYS 85 2HG LYS 85 -4.569 1.608 8.713 534 HD3 LYS 85 2HD LYS 85 -5.586 -1.057 9.802 535 HE3 LYS 85 2HE LYS 85 -6.658 0.551 11.476 536 HZ1 LYS 85 3HZ LYS 85 -3.701 0.502 11.342 537 HZ2 LYS 85 1HZ LYS 85 -4.694 -0.357 12.354 538 HZ3 LYS 85 2HZ LYS 85 -4.507 1.263 12.528 539 H VAL 86 H VAL 86 -2.224 2.899 6.130 540 HA VAL 86 HA VAL 86 0.075 1.271 7.050 541 HB VAL 86 HB VAL 86 0.005 4.147 6.114 542 HG11 VAL 86 1HG1 VAL 86 1.769 3.804 7.724 543 HG12 VAL 86 2HG1 VAL 86 2.366 2.370 6.861 544 HG13 VAL 86 3HG1 VAL 86 2.464 3.984 6.119 545 HG21 VAL 86 3HG2 VAL 86 -0.333 2.629 4.273 546 HG22 VAL 86 1HG2 VAL 86 1.345 3.196 4.214 547 HG23 VAL 86 2HG2 VAL 86 0.991 1.573 4.780 548 H GLU 87 H GLU 87 0.845 1.266 9.022 549 HA GLU 87 HA GLU 87 -0.713 2.665 11.079 550 HB3 GLU 87 2HB GLU 87 0.301 1.125 12.600 551 HG3 GLU 87 2HG GLU 87 -0.158 -0.457 10.033 552 H THR 88 H THR 88 2.615 2.801 9.741 553 HA THR 88 HA THR 88 3.239 5.116 11.486 554 HB THR 88 HB THR 88 4.109 3.194 12.556 555 HG1 THR 88 1HG THR 88 5.539 5.089 12.402 556 HG21 THR 88 3HG2 THR 88 4.258 1.648 10.618 557 HG22 THR 88 1HG2 THR 88 5.772 1.678 11.537 558 HG23 THR 88 2HG2 THR 88 5.638 2.574 10.006 559 H GLY 89 H GLY 89 5.209 6.348 10.619 560 HA2 GLY 89 1HA GLY 89 6.598 6.974 8.808 561 HA3 GLY 89 2HA GLY 89 5.591 6.053 7.713 562 H SER 90 H SER 90 6.107 8.253 6.737 563 HA SER 90 HA SER 90 4.605 10.638 7.309 564 HB3 SER 90 2HB SER 90 4.918 10.702 4.638 565 HG SER 90 HG SER 90 7.284 10.797 6.091 566 H GLU 91 H GLU 91 3.771 7.611 5.721 567 HA GLU 91 HA GLU 91 1.376 8.884 4.502 568 HB3 GLU 91 2HB GLU 91 1.352 7.082 3.033 569 HG3 GLU 91 2HG GLU 91 3.244 9.086 3.056 570 H ALA 92 H ALA 92 1.925 7.762 7.391 571 HA ALA 92 HA ALA 92 0.263 5.584 7.978 572 HB1 ALA 92 1HB ALA 92 1.071 7.952 9.736 573 HB2 ALA 92 2HB ALA 92 0.464 6.378 10.292 574 HB3 ALA 92 3HB ALA 92 2.016 6.476 9.470 575 H GLY 93 H GLY 93 -1.809 5.450 7.734 576 HA2 GLY 93 1HA GLY 93 -3.808 6.914 9.022 577 HA3 GLY 93 2HA GLY 93 -3.662 7.687 7.451 578 H THR 94 H THR 94 -5.079 7.044 6.135 579 HA THR 94 HA THR 94 -5.600 4.219 5.572 580 HB THR 94 HB THR 94 -7.334 4.857 7.228 581 HG1 THR 94 1HG THR 94 -9.120 4.289 5.887 582 HG21 THR 94 3HG2 THR 94 -7.497 7.293 6.754 583 HG22 THR 94 1HG2 THR 94 -9.065 6.477 6.790 584 HG23 THR 94 2HG2 THR 94 -8.346 6.922 5.234 585 H TYR 95 H TYR 95 -5.930 3.943 3.344 586 HA TYR 95 HA TYR 95 -6.870 6.279 1.789 587 HB3 TYR 95 2HB TYR 95 -5.219 5.771 -0.038 588 HD1 TYR 95 2HD TYR 95 -5.627 8.232 1.358 589 HD2 TYR 95 1HD TYR 95 -2.493 5.391 2.068 590 HE1 TYR 95 2HE TYR 95 -4.235 10.047 2.328 591 HE2 TYR 95 1HE TYR 95 -1.114 7.183 3.086 592 HH TYR 95 HH TYR 95 -0.945 9.636 2.965 593 H LYS 96 H LYS 96 -7.924 5.750 -0.161 594 HA LYS 96 HA LYS 96 -8.690 2.897 -0.471 595 HB3 LYS 96 2HB LYS 96 -10.290 3.806 -2.207 596 HG3 LYS 96 2HG LYS 96 -11.810 5.038 -0.650 597 HD3 LYS 96 2HD LYS 96 -10.673 2.502 0.607 598 HE3 LYS 96 2HE LYS 96 -13.277 4.066 0.861 599 HZ1 LYS 96 3HZ LYS 96 -13.960 2.351 2.376 600 HZ2 LYS 96 1HZ LYS 96 -12.636 1.467 2.113 601 HZ3 LYS 96 2HZ LYS 96 -13.767 1.690 0.913 602 H LYS 97 H LYS 97 -8.240 1.796 -2.415 603 HA LYS 97 HA LYS 97 -5.925 2.475 -3.993 604 HB3 LYS 97 2HB LYS 97 -8.265 0.585 -4.465 605 HG3 LYS 97 2HG LYS 97 -5.846 1.047 -6.200 606 HD3 LYS 97 2HD LYS 97 -6.669 -1.245 -7.250 607 HE3 LYS 97 2HE LYS 97 -4.742 -1.160 -4.880 608 HZ1 LYS 97 3HZ LYS 97 -5.061 -3.406 -5.943 609 HZ2 LYS 97 1HZ LYS 97 -3.527 -2.773 -6.137 610 HZ3 LYS 97 2HZ LYS 97 -4.593 -2.741 -7.359 611 H GLN 98 H GLN 98 -5.809 3.409 -6.090 612 HA GLN 98 HA GLN 98 -8.251 4.694 -7.240 613 HB3 GLN 98 2HB GLN 98 -6.932 6.722 -7.702 614 HG3 GLN 98 2HG GLN 98 -6.412 7.493 -5.396 615 HE21 GLN 98 1HE2 GLN 98 -9.219 5.381 -4.809 616 HE22 GLN 98 2HE2 GLN 98 -10.427 6.618 -5.088 617 H LYS 99 H LYS 99 -7.600 2.447 -8.114 618 HA LYS 99 HA LYS 99 -7.457 3.147 -10.776 619 HB3 LYS 99 2HB LYS 99 -6.026 0.922 -11.329 620 HG3 LYS 99 2HG LYS 99 -4.577 3.551 -10.866 621 HD3 LYS 99 2HD LYS 99 -4.327 1.344 -12.927 622 HE3 LYS 99 2HE LYS 99 -4.179 3.631 -13.946 623 HZ1 LYS 99 3HZ LYS 99 -3.022 4.820 -12.165 624 HZ2 LYS 99 1HZ LYS 99 -2.207 4.871 -13.548 625 HZ3 LYS 99 2HZ LYS 99 -1.685 3.861 -12.351 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -10.847 -5.865 16.191 2 HA2 GLY 1 1HA GLY 1 -10.226 -8.545 15.077 3 HA3 GLY 1 2HA GLY 1 -11.835 -7.802 15.044 4 H GLU 2 H GLU 2 -8.778 -8.049 13.417 5 HA GLU 2 HA GLU 2 -9.879 -6.543 11.218 6 HB3 GLU 2 2HB GLU 2 -9.000 -4.635 12.258 7 HG3 GLU 2 2HG GLU 2 -6.687 -6.336 13.128 8 H ASP 3 H ASP 3 -9.860 -8.520 10.289 9 HA ASP 3 HA ASP 3 -7.512 -10.195 10.049 10 HB3 ASP 3 2HB ASP 3 -8.934 -11.596 8.639 11 H TRP 4 H TRP 4 -6.003 -9.304 8.889 12 HA TRP 4 HA TRP 4 -6.611 -7.806 6.382 13 HB3 TRP 4 2HB TRP 4 -4.184 -7.114 6.590 14 HD1 TRP 4 HD TRP 4 -5.308 -6.355 10.056 15 HE1 TRP 4 1HE TRP 4 -6.341 -4.006 10.182 16 HE3 TRP 4 3HE TRP 4 -5.846 -5.597 5.172 17 HZ2 TRP 4 2HZ TRP 4 -7.626 -2.083 8.159 18 HZ3 TRP 4 3HZ TRP 4 -6.899 -3.502 4.220 19 HH2 TRP 4 HH TRP 4 -7.779 -1.804 5.776 20 H THR 5 H THR 5 -5.019 -8.169 4.498 21 HA THR 5 HA THR 5 -4.316 -11.057 4.301 22 HB THR 5 HB THR 5 -4.247 -10.697 1.849 23 HG1 THR 5 1HG THR 5 -4.820 -8.136 2.498 24 HG21 THR 5 3HG2 THR 5 -6.163 -11.741 2.981 25 HG22 THR 5 1HG2 THR 5 -6.616 -10.921 1.493 26 HG23 THR 5 2HG2 THR 5 -6.975 -10.171 3.077 27 H GLU 6 H GLU 6 -2.379 -11.512 3.128 28 HA GLU 6 HA GLU 6 -0.108 -10.262 4.163 29 HB3 GLU 6 2HB GLU 6 1.008 -11.532 2.194 30 HG3 GLU 6 2HG GLU 6 -0.681 -12.859 4.339 31 H LEU 7 H LEU 7 0.677 -8.411 3.780 32 HA LEU 7 HA LEU 7 0.342 -6.833 1.379 33 HB3 LEU 7 2HB LEU 7 2.522 -6.703 3.418 34 HG LEU 7 HG LEU 7 2.565 -5.226 1.295 35 HD11 LEU 7 1HD1 LEU 7 0.398 -3.809 2.902 36 HD12 LEU 7 2HD1 LEU 7 0.250 -4.459 1.248 37 HD13 LEU 7 3HD1 LEU 7 1.306 -3.080 1.559 38 HD21 LEU 7 3HD2 LEU 7 2.717 -4.086 4.094 39 HD22 LEU 7 1HD2 LEU 7 3.406 -3.329 2.627 40 HD23 LEU 7 2HD2 LEU 7 4.007 -4.903 3.182 41 H ASN 8 H ASN 8 1.088 -7.718 -0.373 42 HA ASN 8 HA ASN 8 3.904 -8.645 -0.510 43 HB3 ASN 8 2HB ASN 8 2.588 -10.662 -0.661 44 HD21 ASN 8 1HD2 ASN 8 0.463 -11.322 -0.970 45 HD22 ASN 8 2HD2 ASN 8 -0.535 -10.911 -2.331 46 H SER 9 H SER 9 4.675 -8.768 -2.777 47 HA SER 9 HA SER 9 4.925 -6.196 -3.674 48 HB3 SER 9 2HB SER 9 6.681 -7.117 -4.772 49 HG SER 9 HG SER 9 7.377 -9.029 -3.734 50 H ASN 10 H ASN 10 2.323 -8.281 -4.463 51 HA ASN 10 HA ASN 10 1.866 -6.781 -7.005 52 HB3 ASN 10 2HB ASN 10 0.433 -8.431 -7.759 53 HD21 ASN 10 1HD2 ASN 10 3.017 -8.619 -8.630 54 HD22 ASN 10 2HD2 ASN 10 3.654 -10.168 -8.254 55 H ASN 11 H ASN 11 0.651 -7.543 -3.753 56 HA ASN 11 HA ASN 11 -2.002 -6.808 -4.098 57 HB3 ASN 11 2HB ASN 11 -0.770 -6.286 -1.431 58 HD21 ASN 11 1HD2 ASN 11 -1.741 -8.628 -0.198 59 HD22 ASN 11 2HD2 ASN 11 -3.455 -8.490 -0.245 60 H ILE 12 H ILE 12 0.757 -4.717 -3.309 61 HA ILE 12 HA ILE 12 -0.961 -2.504 -2.561 62 HB ILE 12 HB ILE 12 1.002 -3.001 -1.331 63 HG13 ILE 12 2HG1 ILE 12 0.179 -0.430 -2.123 64 HG21 ILE 12 1HG2 ILE 12 2.725 -2.127 -3.659 65 HG22 ILE 12 2HG2 ILE 12 3.262 -2.608 -2.058 66 HG23 ILE 12 3HG2 ILE 12 2.525 -3.819 -3.119 67 HD11 ILE 12 3HD1 ILE 12 2.029 -1.222 0.108 68 HD12 ILE 12 1HD1 ILE 12 1.171 0.324 -0.050 69 HD13 ILE 12 2HD1 ILE 12 0.235 -1.174 0.131 70 H ILE 13 H ILE 13 0.126 -3.611 -5.568 71 HA ILE 13 HA ILE 13 1.224 -1.263 -6.645 72 HB ILE 13 HB ILE 13 0.091 -3.720 -8.055 73 HG13 ILE 13 2HG1 ILE 13 2.420 -4.594 -7.992 74 HG21 ILE 13 1HG2 ILE 13 0.516 -2.031 -9.660 75 HG22 ILE 13 2HG2 ILE 13 2.048 -1.554 -8.900 76 HG23 ILE 13 3HG2 ILE 13 1.918 -3.104 -9.726 77 HD11 ILE 13 3HD1 ILE 13 3.613 -2.425 -7.426 78 HD12 ILE 13 1HD1 ILE 13 2.923 -2.550 -5.807 79 HD13 ILE 13 2HD1 ILE 13 4.034 -3.792 -6.386 80 H GLY 14 H GLY 14 0.339 0.547 -7.449 81 HA2 GLY 14 1HA GLY 14 -1.431 1.284 -9.146 82 HA3 GLY 14 2HA GLY 14 -2.583 0.678 -7.944 83 H TYR 15 H TYR 15 -3.316 2.982 -8.026 84 HA TYR 15 HA TYR 15 -1.643 4.966 -6.570 85 HB3 TYR 15 2HB TYR 15 -4.005 6.177 -7.033 86 HD1 TYR 15 1HD TYR 15 -1.009 5.125 -9.055 87 HD2 TYR 15 2HD TYR 15 -3.993 8.138 -8.261 88 HE1 TYR 15 1HE TYR 15 0.327 6.769 -10.299 89 HE2 TYR 15 2HE TYR 15 -2.648 9.803 -9.534 90 HH TYR 15 HH TYR 15 0.515 8.968 -10.967 91 H TRP 16 H TRP 16 -2.542 6.043 -4.668 92 HA TRP 16 HA TRP 16 -4.821 4.731 -3.289 93 HB3 TRP 16 2HB TRP 16 -3.581 4.781 -1.192 94 HD1 TRP 16 HD TRP 16 -0.782 3.566 -3.437 95 HE1 TRP 16 1HE TRP 16 -0.749 0.989 -3.480 96 HE3 TRP 16 3HE TRP 16 -5.199 2.619 -1.005 97 HZ2 TRP 16 2HZ TRP 16 -2.421 -1.135 -2.666 98 HZ3 TRP 16 3HZ TRP 16 -5.966 0.189 -0.735 99 HH2 TRP 16 HH TRP 16 -4.617 -1.614 -1.581 100 H SER 17 H SER 17 -6.242 6.302 -2.546 101 HA SER 17 HA SER 17 -5.248 9.102 -2.319 102 HB3 SER 17 2HB SER 17 -7.786 8.121 -3.599 103 HG SER 17 HG SER 17 -8.146 10.274 -4.074 104 H THR 18 H THR 18 -6.632 10.532 -1.060 105 HA THR 18 HA THR 18 -7.965 9.227 1.247 106 HB THR 18 HB THR 18 -5.581 9.854 1.578 107 HG1 THR 18 1HG THR 18 -6.713 9.554 3.374 108 HG21 THR 18 3HG2 THR 18 -6.550 12.718 1.641 109 HG22 THR 18 1HG2 THR 18 -5.525 11.997 0.376 110 HG23 THR 18 2HG2 THR 18 -4.921 12.128 2.035 111 H GLY 19 H GLY 19 -8.393 11.467 -1.269 112 HA2 GLY 19 1HA GLY 19 -10.703 12.537 -1.255 113 HA3 GLY 19 2HA GLY 19 -10.176 13.240 0.290 114 H ILE 20 H ILE 20 -10.671 15.094 -1.499 115 HA ILE 20 HA ILE 20 -8.157 15.712 -2.979 116 HB ILE 20 HB ILE 20 -9.595 16.285 -4.880 117 HG13 ILE 20 2HG1 ILE 20 -11.667 16.826 -3.582 118 HG21 ILE 20 1HG2 ILE 20 -8.541 14.033 -4.595 119 HG22 ILE 20 2HG2 ILE 20 -10.078 13.420 -3.963 120 HG23 ILE 20 3HG2 ILE 20 -9.967 14.039 -5.623 121 HD11 ILE 20 3HD1 ILE 20 -12.269 14.648 -5.606 122 HD12 ILE 20 1HD1 ILE 20 -13.272 16.041 -5.163 123 HD13 ILE 20 2HD1 ILE 20 -11.755 16.287 -6.060 124 H GLU 21 H GLU 21 -9.732 17.006 -0.477 125 HA GLU 21 HA GLU 21 -9.686 19.844 -1.467 126 HB3 GLU 21 2HB GLU 21 -11.971 18.835 -1.036 127 HG3 GLU 21 2HG GLU 21 -10.951 17.600 1.190 128 H GLY 22 H GLY 22 -9.359 21.367 0.228 129 HA2 GLY 22 1HA GLY 22 -8.228 22.319 1.933 130 HA3 GLY 22 2HA GLY 22 -8.605 20.834 2.802 131 H THR 23 H THR 23 -7.049 19.040 2.599 132 HA THR 23 HA THR 23 -4.319 19.646 1.814 133 HB THR 23 HB THR 23 -4.783 19.016 4.761 134 HG1 THR 23 1HG THR 23 -4.432 21.138 5.215 135 HG21 THR 23 3HG2 THR 23 -2.433 20.122 3.174 136 HG22 THR 23 1HG2 THR 23 -2.580 18.440 3.729 137 HG23 THR 23 2HG2 THR 23 -2.418 19.751 4.917 138 H HIS 24 H HIS 24 -4.398 17.694 0.425 139 HA HIS 24 HA HIS 24 -4.930 15.207 1.897 140 HB3 HIS 24 2HB HIS 24 -6.692 15.793 0.241 141 HD1 HIS 24 1HD HIS 24 -6.323 17.799 -1.658 142 HD2 HIS 24 2HD HIS 24 -4.261 14.205 -2.202 143 HE1 HIS 24 1HE HIS 24 -5.611 17.748 -4.083 144 H LYS 25 H LYS 25 -3.896 13.393 0.344 145 HA LYS 25 HA LYS 25 -1.140 14.113 -0.374 146 HB3 LYS 25 2HB LYS 25 -0.412 11.993 0.810 147 HG3 LYS 25 2HG LYS 25 -0.613 14.614 1.871 148 HD3 LYS 25 2HD LYS 25 -0.926 12.537 4.071 149 HE3 LYS 25 2HE LYS 25 -1.008 15.596 4.165 150 HZ1 LYS 25 3HZ LYS 25 -1.894 14.335 6.110 151 HZ2 LYS 25 1HZ LYS 25 -0.576 15.273 6.461 152 HZ3 LYS 25 2HZ LYS 25 -0.376 13.672 6.297 153 H LEU 26 H LEU 26 -0.204 12.053 -1.558 154 HA LEU 26 HA LEU 26 -2.276 10.233 -2.614 155 HB3 LEU 26 2HB LEU 26 -0.463 11.564 -4.627 156 HG LEU 26 HG LEU 26 -2.329 11.398 -6.136 157 HD11 LEU 26 1HD1 LEU 26 -2.525 9.057 -6.402 158 HD12 LEU 26 2HD1 LEU 26 -2.319 8.739 -4.692 159 HD13 LEU 26 3HD1 LEU 26 -0.943 9.323 -5.637 160 HD21 LEU 26 3HD2 LEU 26 -4.530 10.469 -5.507 161 HD22 LEU 26 1HD2 LEU 26 -4.167 11.940 -4.593 162 HD23 LEU 26 2HD2 LEU 26 -4.035 10.356 -3.821 163 H LEU 27 H LEU 27 -1.309 8.180 -2.971 164 HA LEU 27 HA LEU 27 1.661 8.054 -3.050 165 HB3 LEU 27 2HB LEU 27 1.296 5.593 -2.318 166 HG LEU 27 HG LEU 27 1.032 7.693 -0.200 167 HD11 LEU 27 1HD1 LEU 27 0.664 4.891 0.113 168 HD12 LEU 27 2HD1 LEU 27 0.832 6.135 1.351 169 HD13 LEU 27 3HD1 LEU 27 2.255 5.273 0.789 170 HD21 LEU 27 3HD2 LEU 27 3.456 7.292 0.179 171 HD22 LEU 27 1HD2 LEU 27 3.135 7.880 -1.447 172 HD23 LEU 27 2HD2 LEU 27 3.467 6.159 -1.189 173 H SER 28 H SER 28 2.446 6.536 -4.558 174 HA SER 28 HA SER 28 0.537 5.006 -6.169 175 HB3 SER 28 2HB SER 28 0.530 6.807 -7.526 176 HG SER 28 HG SER 28 3.240 7.420 -7.072 177 H PHE 29 H PHE 29 1.480 3.080 -6.925 178 HA PHE 29 HA PHE 29 4.380 2.671 -6.441 179 HB3 PHE 29 2HB PHE 29 3.846 0.503 -5.384 180 HD1 PHE 29 1HD PHE 29 5.307 1.937 -3.874 181 HD2 PHE 29 2HD PHE 29 1.033 2.248 -3.881 182 HE1 PHE 29 1HE PHE 29 5.395 3.002 -1.642 183 HE2 PHE 29 2HE PHE 29 1.121 3.389 -1.623 184 HZ PHE 29 HZ PHE 29 3.311 3.710 -0.519 185 H ASP 30 H ASP 30 5.321 1.774 -8.214 186 HA ASP 30 HA ASP 30 3.736 0.341 -10.275 187 HB3 ASP 30 2HB ASP 30 6.173 0.090 -11.142 188 H GLU 31 H GLU 31 4.380 -1.872 -10.717 189 HA GLU 31 HA GLU 31 5.407 -3.382 -8.451 190 HB3 GLU 31 2HB GLU 31 5.090 -4.257 -11.360 191 HG3 GLU 31 2HG GLU 31 4.770 -5.705 -8.719 192 H ASP 32 H ASP 32 6.426 -2.253 -11.585 193 HA ASP 32 HA ASP 32 9.062 -3.562 -11.399 194 HB3 ASP 32 2HB ASP 32 7.593 -4.156 -13.255 195 H GLY 33 H GLY 33 7.887 -0.602 -10.723 196 HA2 GLY 33 1HA GLY 33 10.342 0.883 -11.611 197 HA3 GLY 33 2HA GLY 33 8.748 1.639 -11.445 198 H THR 34 H THR 34 8.537 2.752 -9.550 199 HA THR 34 HA THR 34 9.804 1.864 -7.052 200 HB THR 34 HB THR 34 10.210 4.464 -6.860 201 HG1 THR 34 1HG THR 34 10.483 4.206 -9.658 202 HG21 THR 34 3HG2 THR 34 11.951 2.719 -8.656 203 HG22 THR 34 1HG2 THR 34 12.012 2.844 -6.905 204 HG23 THR 34 2HG2 THR 34 12.464 4.233 -7.871 205 H GLY 35 H GLY 35 8.822 3.774 -5.412 206 HA2 GLY 35 1HA GLY 35 5.914 4.011 -5.946 207 HA3 GLY 35 2HA GLY 35 6.604 3.873 -4.328 208 H SER 36 H SER 36 5.014 6.046 -5.130 209 HA SER 36 HA SER 36 6.902 8.312 -4.940 210 HB3 SER 36 2HB SER 36 6.479 8.797 -7.084 211 HG SER 36 HG SER 36 5.782 6.795 -7.684 212 H PHE 37 H PHE 37 6.028 10.133 -3.882 213 HA PHE 37 HA PHE 37 3.385 9.814 -2.586 214 HB3 PHE 37 2HB PHE 37 6.018 10.490 -1.236 215 HD1 PHE 37 1HD PHE 37 2.322 9.990 -0.506 216 HD2 PHE 37 2HD PHE 37 6.149 11.258 0.963 217 HE1 PHE 37 1HE PHE 37 1.269 10.896 1.548 218 HE2 PHE 37 2HE PHE 37 5.111 12.217 2.956 219 HZ PHE 37 HZ PHE 37 2.624 12.043 3.267 220 H GLY 38 H GLY 38 2.278 11.798 -2.524 221 HA2 GLY 38 1HA GLY 38 3.957 14.244 -2.621 222 HA3 GLY 38 2HA GLY 38 2.621 14.115 -3.778 223 H ILE 39 H ILE 39 2.815 16.110 -1.914 224 HA ILE 39 HA ILE 39 0.474 15.630 -0.130 225 HB ILE 39 HB ILE 39 2.808 17.483 0.502 226 HG13 ILE 39 2HG1 ILE 39 3.505 15.104 0.726 227 HG21 ILE 39 1HG2 ILE 39 0.366 16.711 2.159 228 HG22 ILE 39 2HG2 ILE 39 1.699 17.741 2.711 229 HG23 ILE 39 3HG2 ILE 39 0.669 18.286 1.408 230 HD11 ILE 39 3HD1 ILE 39 4.409 15.140 2.879 231 HD12 ILE 39 1HD1 ILE 39 4.320 16.840 2.391 232 HD13 ILE 39 2HD1 ILE 39 3.120 16.165 3.525 233 H TYR 40 H TYR 40 -1.030 17.371 -0.196 234 HA TYR 40 HA TYR 40 -0.621 19.400 -2.339 235 HB3 TYR 40 2HB TYR 40 -3.050 18.879 -2.881 236 HD1 TYR 40 2HD TYR 40 -1.301 15.591 -2.456 237 HD2 TYR 40 1HD TYR 40 -2.364 18.812 -5.118 238 HE1 TYR 40 2HE TYR 40 -0.489 14.258 -4.388 239 HE2 TYR 40 1HE TYR 40 -1.642 17.453 -7.060 240 HH TYR 40 HH TYR 40 0.409 15.035 -6.916 241 H SER 41 H SER 41 -2.240 21.138 -2.165 242 HA SER 41 HA SER 41 -3.959 21.040 0.179 243 HB3 SER 41 2HB SER 41 -3.301 23.807 -0.206 244 HG SER 41 HG SER 41 -3.998 22.503 1.737 245 H ASN 42 H ASN 42 -5.914 21.756 -0.324 246 HA ASN 42 HA ASN 42 -7.737 21.995 -1.534 247 HB3 ASN 42 2HB ASN 42 -6.847 24.649 -2.539 248 HD21 ASN 42 1HD2 ASN 42 -8.572 24.491 0.409 249 HD22 ASN 42 2HD2 ASN 42 -10.191 24.294 -0.221 250 H ALA 43 H ALA 43 -5.609 23.555 -3.906 251 HA ALA 43 HA ALA 43 -6.057 21.325 -5.750 252 HB1 ALA 43 1HB ALA 43 -6.939 24.090 -6.658 253 HB2 ALA 43 2HB ALA 43 -6.963 22.559 -7.582 254 HB3 ALA 43 3HB ALA 43 -8.034 22.766 -6.182 255 H THR 44 H THR 44 -3.743 22.058 -4.454 256 HA THR 44 HA THR 44 -1.996 22.806 -6.699 257 HB THR 44 HB THR 44 -1.842 23.897 -3.843 258 HG1 THR 44 1HG THR 44 -2.280 25.886 -4.854 259 HG21 THR 44 3HG2 THR 44 0.359 23.638 -5.139 260 HG22 THR 44 1HG2 THR 44 -0.038 25.278 -4.689 261 HG23 THR 44 2HG2 THR 44 -0.307 24.723 -6.366 262 HA PRO 45 HA PRO 45 0.283 19.353 -4.675 263 HB3 PRO 45 2HB PRO 45 0.792 18.566 -6.804 264 HG3 PRO 45 2HG PRO 45 1.066 20.043 -8.639 265 HD3 PRO 45 2HD PRO 45 -0.964 20.853 -7.827 266 H ILE 46 H ILE 46 1.683 19.639 -2.972 267 HA ILE 46 HA ILE 46 3.400 22.087 -2.944 268 HB ILE 46 HB ILE 46 2.000 20.839 -0.568 269 HG13 ILE 46 2HG1 ILE 46 0.372 22.586 -0.540 270 HG21 ILE 46 1HG2 ILE 46 3.899 22.117 0.152 271 HG22 ILE 46 2HG2 ILE 46 3.527 23.443 -0.962 272 HG23 ILE 46 3HG2 ILE 46 2.466 23.135 0.427 273 HD11 ILE 46 3HD1 ILE 46 1.620 23.657 -3.111 274 HD12 ILE 46 1HD1 ILE 46 0.015 24.091 -2.493 275 HD13 ILE 46 2HD1 ILE 46 1.457 24.502 -1.563 276 H SER 47 H SER 47 3.353 18.587 -2.459 277 HA SER 47 HA SER 47 6.247 18.769 -2.215 278 HB3 SER 47 2HB SER 47 4.832 16.901 -0.292 279 HG SER 47 HG SER 47 6.836 16.592 0.468 280 H PHE 48 H PHE 48 7.160 16.693 -2.418 281 HA PHE 48 HA PHE 48 5.937 14.729 -4.190 282 HB3 PHE 48 2HB PHE 48 8.063 16.499 -5.453 283 HD1 PHE 48 2HD PHE 48 4.643 15.758 -6.582 284 HD2 PHE 48 1HD PHE 48 8.780 14.635 -6.917 285 HE1 PHE 48 2HE PHE 48 4.115 14.429 -8.632 286 HE2 PHE 48 1HE PHE 48 8.263 13.313 -8.939 287 HZ PHE 48 HZ PHE 48 5.932 13.240 -9.827 288 H GLN 49 H GLN 49 7.254 12.903 -4.112 289 HA GLN 49 HA GLN 49 10.100 13.033 -4.093 290 HB3 GLN 49 2HB GLN 49 9.826 13.315 -1.663 291 HG3 GLN 49 2HG GLN 49 8.310 10.665 -1.681 292 HE21 GLN 49 1HE2 GLN 49 9.886 10.020 -0.003 293 HE22 GLN 49 2HE2 GLN 49 9.696 10.623 1.616 294 H MET 50 H MET 50 10.942 10.712 -4.220 295 HA MET 50 HA MET 50 8.919 8.677 -4.809 296 HB3 MET 50 2HB MET 50 10.150 8.027 -6.851 297 HG3 MET 50 2HG MET 50 9.772 10.618 -7.357 298 HE1 MET 50 3HE MET 50 11.039 10.656 -9.514 299 HE2 MET 50 1HE MET 50 11.645 9.120 -8.893 300 HE3 MET 50 2HE MET 50 11.115 9.233 -10.589 301 H PHE 51 H PHE 51 9.970 6.496 -4.731 302 HA PHE 51 HA PHE 51 12.581 6.251 -3.632 303 HB3 PHE 51 2HB PHE 51 11.742 6.870 -1.532 304 HD1 PHE 51 1HD PHE 51 9.490 3.919 -1.666 305 HD2 PHE 51 2HD PHE 51 9.782 8.187 -1.278 306 HE1 PHE 51 1HE PHE 51 7.153 4.008 -0.854 307 HE2 PHE 51 2HE PHE 51 7.432 8.282 -0.465 308 HZ PHE 51 HZ PHE 51 6.095 6.191 -0.264 309 H ASP 52 H ASP 52 13.246 4.087 -3.618 310 HA ASP 52 HA ASP 52 11.527 2.062 -4.984 311 HB3 ASP 52 2HB ASP 52 13.461 0.555 -4.057 312 H TYR 53 H TYR 53 11.044 0.043 -3.795 313 HA TYR 53 HA TYR 53 11.469 0.043 -0.951 314 HB3 TYR 53 2HB TYR 53 9.236 1.083 -1.049 315 HD1 TYR 53 1HD TYR 53 8.391 1.465 -3.390 316 HD2 TYR 53 2HD TYR 53 7.930 -2.341 -1.407 317 HE1 TYR 53 1HE TYR 53 6.837 0.737 -5.162 318 HE2 TYR 53 2HE TYR 53 6.357 -3.073 -3.179 319 HH TYR 53 HH TYR 53 5.765 -1.163 -6.125 320 H LYS 54 H LYS 54 10.841 -2.223 -0.086 321 HA LYS 54 HA LYS 54 10.529 -4.253 -2.199 322 HB3 LYS 54 2HB LYS 54 12.123 -5.756 -0.931 323 HG3 LYS 54 2HG LYS 54 14.284 -4.666 -1.523 324 HD3 LYS 54 2HD LYS 54 12.033 -5.012 -3.465 325 HE3 LYS 54 2HE LYS 54 14.676 -3.913 -4.435 326 HZ1 LYS 54 3HZ LYS 54 13.334 -5.137 -6.027 327 HZ2 LYS 54 1HZ LYS 54 13.309 -3.512 -6.360 328 HZ3 LYS 54 2HZ LYS 54 12.004 -4.240 -5.655 329 H ILE 55 H ILE 55 9.612 -6.228 -1.392 330 HA ILE 55 HA ILE 55 8.356 -5.987 1.266 331 HB ILE 55 HB ILE 55 7.710 -7.934 -0.950 332 HG13 ILE 55 2HG1 ILE 55 5.613 -6.676 -1.288 333 HG21 ILE 55 1HG2 ILE 55 5.835 -7.564 1.376 334 HG22 ILE 55 2HG2 ILE 55 5.908 -8.797 0.117 335 HG23 ILE 55 3HG2 ILE 55 7.139 -8.788 1.348 336 HD11 ILE 55 3HD1 ILE 55 5.378 -5.417 0.838 337 HD12 ILE 55 1HD1 ILE 55 6.820 -4.458 0.415 338 HD13 ILE 55 2HD1 ILE 55 5.363 -4.357 -0.578 339 H GLU 56 H GLU 56 9.960 -6.729 2.684 340 HA GLU 56 HA GLU 56 10.704 -9.580 2.315 341 HB3 GLU 56 2HB GLU 56 12.712 -7.631 3.446 342 HG3 GLU 56 2HG GLU 56 12.999 -10.149 1.742 343 H GLU 57 H GLU 57 8.682 -8.278 3.923 344 HA GLU 57 HA GLU 57 8.979 -9.622 6.320 345 HB3 GLU 57 2HB GLU 57 8.637 -7.302 7.739 346 HG3 GLU 57 2HG GLU 57 10.914 -6.828 8.163 347 H GLY 58 H GLY 58 6.934 -8.833 4.151 348 HA2 GLY 58 1HA GLY 58 4.517 -8.673 4.060 349 HA3 GLY 58 2HA GLY 58 4.512 -9.003 5.779 350 H ARG 59 H ARG 59 6.526 -6.463 4.810 351 HA ARG 59 HA ARG 59 4.702 -4.252 5.604 352 HB3 ARG 59 2HB ARG 59 6.650 -3.441 7.077 353 HG3 ARG 59 2HG ARG 59 5.321 -6.104 7.716 354 HD3 ARG 59 2HD ARG 59 6.678 -4.239 9.648 355 HE ARG 59 HE ARG 59 5.056 -5.054 10.973 356 HH11 ARG 59 1HH1 ARG 59 6.121 -7.915 8.975 357 HH12 ARG 59 2HH1 ARG 59 5.122 -8.970 9.928 358 HH21 ARG 59 1HH2 ARG 59 3.487 -6.588 11.810 359 HH22 ARG 59 2HH2 ARG 59 3.729 -8.273 11.460 360 H ILE 60 H ILE 60 6.511 -2.095 5.209 361 HA ILE 60 HA ILE 60 7.516 -2.648 2.410 362 HB ILE 60 HB ILE 60 6.543 -0.002 3.488 363 HG13 ILE 60 2HG1 ILE 60 4.740 -1.713 3.058 364 HG21 ILE 60 1HG2 ILE 60 7.266 -0.813 0.656 365 HG22 ILE 60 2HG2 ILE 60 6.873 0.823 1.227 366 HG23 ILE 60 3HG2 ILE 60 8.372 0.062 1.741 367 HD11 ILE 60 3HD1 ILE 60 4.343 0.736 2.869 368 HD12 ILE 60 1HD1 ILE 60 4.662 0.618 1.128 369 HD13 ILE 60 2HD1 ILE 60 3.285 -0.253 1.838 370 H TYR 61 H TYR 61 9.601 -2.834 2.399 371 HA TYR 61 HA TYR 61 11.334 -1.479 4.386 372 HB3 TYR 61 2HB TYR 61 11.994 -3.346 2.075 373 HD1 TYR 61 1HD TYR 61 13.296 -2.143 5.433 374 HD2 TYR 61 2HD TYR 61 14.256 -3.378 1.405 375 HE1 TYR 61 1HE TYR 61 15.681 -1.953 5.953 376 HE2 TYR 61 2HE TYR 61 16.660 -3.172 1.912 377 HH TYR 61 HH TYR 61 17.835 -2.024 5.104 378 H ILE 62 H ILE 62 11.523 0.664 3.934 379 HA ILE 62 HA ILE 62 11.806 1.676 1.143 380 HB ILE 62 HB ILE 62 11.916 3.151 3.816 381 HG13 ILE 62 2HG1 ILE 62 9.655 4.002 3.371 382 HG21 ILE 62 1HG2 ILE 62 11.488 5.180 2.396 383 HG22 ILE 62 2HG2 ILE 62 13.041 4.400 2.084 384 HG23 ILE 62 3HG2 ILE 62 11.694 4.166 0.951 385 HD11 ILE 62 3HD1 ILE 62 9.506 1.920 1.165 386 HD12 ILE 62 1HD1 ILE 62 8.130 2.786 1.874 387 HD13 ILE 62 2HD1 ILE 62 9.378 3.681 0.985 388 H TYR 63 H TYR 63 13.921 2.111 0.383 389 HA TYR 63 HA TYR 63 16.110 2.272 2.324 390 HB3 TYR 63 2HB TYR 63 15.777 -0.189 1.822 391 HD1 TYR 63 1HD TYR 63 14.122 -0.596 -0.078 392 HD2 TYR 63 2HD TYR 63 18.224 0.536 -0.804 393 HE1 TYR 63 1HE TYR 63 13.877 -1.182 -2.480 394 HE2 TYR 63 2HE TYR 63 17.990 -0.066 -3.184 395 HH TYR 63 HH TYR 63 16.292 -0.392 -4.865 396 H ASP 64 H ASP 64 14.795 3.413 -0.625 397 HA ASP 64 HA ASP 64 17.195 4.930 -1.032 398 HB3 ASP 64 2HB ASP 64 16.006 3.364 -3.356 399 H VAL 65 H VAL 65 16.418 6.846 -0.801 400 HA VAL 65 HA VAL 65 13.787 7.572 -1.989 401 HB VAL 65 HB VAL 65 15.047 8.716 0.540 402 HG11 VAL 65 1HG1 VAL 65 12.714 9.514 0.995 403 HG12 VAL 65 2HG1 VAL 65 13.449 10.261 -0.418 404 HG13 VAL 65 3HG1 VAL 65 12.248 8.971 -0.632 405 HG21 VAL 65 3HG2 VAL 65 13.357 7.449 1.852 406 HG22 VAL 65 1HG2 VAL 65 12.934 6.545 0.382 407 HG23 VAL 65 2HG2 VAL 65 14.556 6.411 1.087 408 H TYR 66 H TYR 66 13.663 9.740 -2.829 409 HA TYR 66 HA TYR 66 16.145 11.337 -2.925 410 HB3 TYR 66 2HB TYR 66 15.270 9.753 -5.128 411 HD1 TYR 66 1HD TYR 66 12.875 10.469 -5.655 412 HD2 TYR 66 2HD TYR 66 16.271 13.005 -6.288 413 HE1 TYR 66 1HE TYR 66 11.510 11.932 -7.157 414 HE2 TYR 66 2HE TYR 66 14.972 14.493 -7.700 415 HH TYR 66 HH TYR 66 12.888 14.791 -8.825 416 HA PRO 67 HA PRO 67 16.532 13.261 -4.178 417 HB3 PRO 67 2HB PRO 67 15.733 15.194 -5.210 418 HG3 PRO 67 2HG PRO 67 14.166 16.641 -4.039 419 HD3 PRO 67 2HD PRO 67 13.187 14.502 -4.348 420 H ASP 68 H ASP 68 15.212 13.830 -1.058 421 HA ASP 68 HA ASP 68 17.948 14.222 0.144 422 HB3 ASP 68 2HB ASP 68 15.775 14.320 2.089 423 H GLU 69 H GLU 69 18.747 12.275 0.767 424 HA GLU 69 HA GLU 69 16.886 9.953 0.794 425 HB3 GLU 69 2HB GLU 69 18.598 9.588 -0.728 426 HG3 GLU 69 2HG GLU 69 20.497 10.730 1.283 427 H LYS 70 H LYS 70 16.803 8.614 2.537 428 HA LYS 70 HA LYS 70 17.968 9.570 5.103 429 HB3 LYS 70 2HB LYS 70 15.785 9.325 6.126 430 HG3 LYS 70 2HG LYS 70 15.331 10.835 3.501 431 HD3 LYS 70 2HD LYS 70 13.407 10.765 5.076 432 HE3 LYS 70 2HE LYS 70 15.512 12.014 6.857 433 HZ1 LYS 70 3HZ LYS 70 13.649 12.508 8.359 434 HZ2 LYS 70 1HZ LYS 70 12.572 12.173 7.150 435 HZ3 LYS 70 2HZ LYS 70 13.641 13.439 7.005 436 H THR 71 H THR 71 17.450 7.860 6.890 437 HA THR 71 HA THR 71 18.855 5.575 6.251 438 HB THR 71 HB THR 71 18.529 6.544 8.497 439 HG1 THR 71 1HG THR 71 17.731 3.942 8.922 440 HG21 THR 71 3HG2 THR 71 16.621 6.047 9.833 441 HG22 THR 71 1HG2 THR 71 15.965 4.950 8.581 442 HG23 THR 71 2HG2 THR 71 16.002 6.692 8.293 443 HA PRO 72 HA PRO 72 15.621 2.900 4.518 444 HB3 PRO 72 2HB PRO 72 17.300 1.413 3.763 445 HG3 PRO 72 2HG PRO 72 19.289 1.127 5.005 446 HD3 PRO 72 2HD PRO 72 19.082 3.468 4.663 447 H TYR 73 H TYR 73 13.803 1.828 5.466 448 HA TYR 73 HA TYR 73 13.897 0.853 8.205 449 HB3 TYR 73 2HB TYR 73 13.576 3.094 8.851 450 HD1 TYR 73 2HD TYR 73 10.312 2.762 6.999 451 HD2 TYR 73 1HD TYR 73 13.931 5.035 7.527 452 HE1 TYR 73 2HE TYR 73 9.421 4.562 5.527 453 HE2 TYR 73 1HE TYR 73 13.070 6.803 6.045 454 HH TYR 73 HH TYR 73 11.182 7.585 4.868 455 H TYR 74 H TYR 74 11.760 -0.026 8.862 456 HA TYR 74 HA TYR 74 10.248 -1.061 6.521 457 HB3 TYR 74 2HB TYR 74 9.400 -2.785 8.053 458 HD1 TYR 74 2HD TYR 74 12.889 -2.433 9.264 459 HD2 TYR 74 1HD TYR 74 10.345 -4.037 6.180 460 HE1 TYR 74 2HE TYR 74 14.728 -3.889 8.493 461 HE2 TYR 74 1HE TYR 74 12.173 -5.547 5.427 462 HH TYR 74 HH TYR 74 14.414 -6.102 5.728 463 H LEU 75 H LEU 75 8.260 -0.280 6.236 464 HA LEU 75 HA LEU 75 6.851 1.233 8.375 465 HB3 LEU 75 2HB LEU 75 5.301 1.844 6.517 466 HG LEU 75 HG LEU 75 8.237 2.412 5.855 467 HD11 LEU 75 1HD1 LEU 75 7.259 4.346 4.591 468 HD12 LEU 75 2HD1 LEU 75 5.637 3.664 4.871 469 HD13 LEU 75 3HD1 LEU 75 6.838 2.764 3.928 470 HD21 LEU 75 3HD2 LEU 75 7.741 3.240 8.080 471 HD22 LEU 75 1HD2 LEU 75 6.180 3.894 7.553 472 HD23 LEU 75 2HD2 LEU 75 7.701 4.615 6.999 473 H ASP 76 H ASP 76 5.599 0.001 9.653 474 HA ASP 76 HA ASP 76 4.433 -2.542 8.960 475 HB3 ASP 76 2HB ASP 76 2.905 -1.932 10.910 476 H CYS 77 H CYS 77 2.642 -2.844 7.635 477 HA CYS 77 HA CYS 77 0.496 -0.975 7.681 478 HB3 CYS 77 2HB CYS 77 1.603 0.270 6.016 479 HG CYS 77 HG CYS 77 3.705 -1.261 5.839 480 H LYS 78 H LYS 78 -1.308 -1.750 6.564 481 HA LYS 78 HA LYS 78 -1.270 -4.674 5.947 482 HB3 LYS 78 2HB LYS 78 -3.289 -4.974 7.151 483 HG3 LYS 78 2HG LYS 78 -0.891 -4.548 8.456 484 HD3 LYS 78 2HD LYS 78 -1.865 -2.274 9.277 485 HE3 LYS 78 2HE LYS 78 -3.559 -4.359 10.714 486 HZ1 LYS 78 3HZ LYS 78 -3.316 -1.585 11.682 487 HZ2 LYS 78 1HZ LYS 78 -2.511 -2.865 12.329 488 HZ3 LYS 78 2HZ LYS 78 -4.139 -2.867 12.328 489 H ILE 79 H ILE 79 -3.080 -5.471 4.604 490 HA ILE 79 HA ILE 79 -4.450 -3.410 3.029 491 HB ILE 79 HB ILE 79 -2.010 -3.772 2.284 492 HG13 ILE 79 2HG1 ILE 79 -3.839 -2.676 0.999 493 HG21 ILE 79 1HG2 ILE 79 -1.972 -6.245 2.508 494 HG22 ILE 79 2HG2 ILE 79 -3.138 -6.379 1.185 495 HG23 ILE 79 3HG2 ILE 79 -1.533 -5.739 0.870 496 HD11 ILE 79 3HD1 ILE 79 -1.538 -2.537 0.207 497 HD12 ILE 79 1HD1 ILE 79 -1.672 -4.120 -0.598 498 HD13 ILE 79 2HD1 ILE 79 -2.643 -2.775 -1.163 499 H SER 80 H SER 80 -6.179 -4.195 1.852 500 HA SER 80 HA SER 80 -6.933 -7.079 1.920 501 HB3 SER 80 2HB SER 80 -8.605 -4.860 3.072 502 HG SER 80 HG SER 80 -9.670 -6.753 2.205 503 H GLY 81 H GLY 81 -6.226 -5.434 -0.249 504 HA2 GLY 81 1HA GLY 81 -7.021 -5.415 -2.495 505 HA3 GLY 81 2HA GLY 81 -8.703 -5.500 -1.938 506 H THR 82 H THR 82 -9.767 -3.538 -1.178 507 HA THR 82 HA THR 82 -8.571 -1.284 -2.476 508 HB THR 82 HB THR 82 -11.125 -0.668 -1.223 509 HG1 THR 82 1HG THR 82 -12.345 -2.175 -2.292 510 HG21 THR 82 3HG2 THR 82 -11.703 -0.316 -3.613 511 HG22 THR 82 1HG2 THR 82 -10.231 -1.185 -4.103 512 HG23 THR 82 2HG2 THR 82 -10.109 0.378 -3.252 513 H THR 83 H THR 83 -8.762 -2.097 0.956 514 HA THR 83 HA THR 83 -8.379 0.717 1.751 515 HB THR 83 HB THR 83 -8.609 -1.824 3.369 516 HG1 THR 83 1HG THR 83 -10.473 -1.735 2.341 517 HG21 THR 83 3HG2 THR 83 -9.223 1.069 4.150 518 HG22 THR 83 1HG2 THR 83 -7.787 0.161 4.666 519 HG23 THR 83 2HG2 THR 83 -9.379 -0.364 5.210 520 H LEU 84 H LEU 84 -6.215 1.462 1.725 521 HA LEU 84 HA LEU 84 -4.039 -0.397 2.588 522 HB3 LEU 84 2HB LEU 84 -3.990 2.365 1.383 523 HG LEU 84 HG LEU 84 -2.125 2.332 2.948 524 HD11 LEU 84 1HD1 LEU 84 -1.398 -0.347 1.650 525 HD12 LEU 84 2HD1 LEU 84 -1.775 -0.059 3.365 526 HD13 LEU 84 3HD1 LEU 84 -0.305 0.602 2.682 527 HD21 LEU 84 3HD2 LEU 84 -1.223 1.701 0.083 528 HD22 LEU 84 1HD2 LEU 84 -0.301 2.609 1.293 529 HD23 LEU 84 2HD2 LEU 84 -1.799 3.278 0.658 530 H LYS 85 H LYS 85 -3.619 -0.489 4.669 531 HA LYS 85 HA LYS 85 -4.171 1.910 6.385 532 HB3 LYS 85 2HB LYS 85 -4.210 -1.055 7.129 533 HG3 LYS 85 2HG LYS 85 -4.654 1.523 8.655 534 HD3 LYS 85 2HD LYS 85 -5.950 -1.061 9.579 535 HE3 LYS 85 2HE LYS 85 -6.207 1.900 10.229 536 HZ1 LYS 85 3HZ LYS 85 -8.191 1.498 11.343 537 HZ2 LYS 85 1HZ LYS 85 -8.112 -0.148 11.146 538 HZ3 LYS 85 2HZ LYS 85 -8.432 0.820 9.867 539 H VAL 86 H VAL 86 -2.125 2.892 6.189 540 HA VAL 86 HA VAL 86 0.212 1.221 6.983 541 HB VAL 86 HB VAL 86 0.298 4.164 6.284 542 HG11 VAL 86 1HG1 VAL 86 2.560 2.146 6.395 543 HG12 VAL 86 2HG1 VAL 86 2.661 3.885 6.046 544 HG13 VAL 86 3HG1 VAL 86 2.153 3.334 7.637 545 HG21 VAL 86 3HG2 VAL 86 1.055 1.838 4.457 546 HG22 VAL 86 1HG2 VAL 86 -0.418 2.805 4.292 547 HG23 VAL 86 2HG2 VAL 86 1.163 3.572 4.107 548 H GLU 87 H GLU 87 1.030 1.204 8.966 549 HA GLU 87 HA GLU 87 -0.588 2.502 11.015 550 HB3 GLU 87 2HB GLU 87 0.559 1.090 12.535 551 HG3 GLU 87 2HG GLU 87 0.392 -0.746 10.144 552 H THR 88 H THR 88 2.693 2.903 9.638 553 HA THR 88 HA THR 88 3.219 5.169 11.462 554 HB THR 88 HB THR 88 4.008 3.189 12.532 555 HG1 THR 88 1HG THR 88 5.433 5.199 12.414 556 HG21 THR 88 3HG2 THR 88 5.765 1.761 11.636 557 HG22 THR 88 1HG2 THR 88 5.763 2.693 10.116 558 HG23 THR 88 2HG2 THR 88 4.348 1.728 10.572 559 H GLY 89 H GLY 89 5.292 6.358 10.753 560 HA2 GLY 89 1HA GLY 89 6.711 7.150 9.064 561 HA3 GLY 89 2HA GLY 89 5.861 6.162 7.898 562 H SER 90 H SER 90 6.396 8.507 7.066 563 HA SER 90 HA SER 90 4.743 10.714 7.471 564 HB3 SER 90 2HB SER 90 5.329 11.336 5.173 565 HG SER 90 HG SER 90 7.678 10.197 5.499 566 H GLU 91 H GLU 91 3.927 7.684 5.915 567 HA GLU 91 HA GLU 91 1.399 8.855 4.855 568 HB3 GLU 91 2HB GLU 91 1.138 6.876 3.550 569 HG3 GLU 91 2HG GLU 91 2.824 8.956 3.112 570 H ALA 92 H ALA 92 2.082 7.838 7.766 571 HA ALA 92 HA ALA 92 0.368 5.660 8.356 572 HB1 ALA 92 1HB ALA 92 0.462 6.499 10.695 573 HB2 ALA 92 2HB ALA 92 2.059 6.529 9.933 574 HB3 ALA 92 3HB ALA 92 1.149 8.032 10.129 575 H GLY 93 H GLY 93 -1.737 5.665 7.684 576 HA2 GLY 93 1HA GLY 93 -3.701 7.533 8.740 577 HA3 GLY 93 2HA GLY 93 -3.261 7.945 7.079 578 H THR 94 H THR 94 -4.979 7.364 5.873 579 HA THR 94 HA THR 94 -5.918 4.619 5.878 580 HB THR 94 HB THR 94 -7.082 5.734 7.762 581 HG1 THR 94 1HG THR 94 -9.092 5.103 7.229 582 HG21 THR 94 3HG2 THR 94 -8.620 7.494 7.620 583 HG22 THR 94 1HG2 THR 94 -8.556 7.550 5.848 584 HG23 THR 94 2HG2 THR 94 -7.155 8.073 6.807 585 H TYR 95 H TYR 95 -6.083 4.105 3.729 586 HA TYR 95 HA TYR 95 -6.755 6.270 1.801 587 HB3 TYR 95 2HB TYR 95 -4.828 5.579 0.469 588 HD1 TYR 95 1HD TYR 95 -3.576 5.418 3.934 589 HD2 TYR 95 2HD TYR 95 -4.584 7.994 0.711 590 HE1 TYR 95 1HE TYR 95 -2.339 7.278 5.073 591 HE2 TYR 95 2HE TYR 95 -3.342 9.882 1.827 592 HH TYR 95 HH TYR 95 -1.755 9.624 4.981 593 H LYS 96 H LYS 96 -7.460 5.514 -0.297 594 HA LYS 96 HA LYS 96 -8.202 2.648 -0.285 595 HB3 LYS 96 2HB LYS 96 -10.034 3.219 -1.874 596 HG3 LYS 96 2HG LYS 96 -10.414 2.677 0.592 597 HD3 LYS 96 2HD LYS 96 -10.423 5.692 0.619 598 HE3 LYS 96 2HE LYS 96 -12.192 4.059 2.478 599 HZ1 LYS 96 3HZ LYS 96 -13.279 6.395 2.340 600 HZ2 LYS 96 1HZ LYS 96 -11.807 6.931 1.899 601 HZ3 LYS 96 2HZ LYS 96 -12.020 6.179 3.360 602 H LYS 97 H LYS 97 -7.875 1.502 -2.176 603 HA LYS 97 HA LYS 97 -5.862 2.259 -3.995 604 HB3 LYS 97 2HB LYS 97 -8.155 0.302 -4.500 605 HG3 LYS 97 2HG LYS 97 -5.465 0.733 -5.828 606 HD3 LYS 97 2HD LYS 97 -6.798 -1.456 -7.040 607 HE3 LYS 97 2HE LYS 97 -4.316 -1.837 -5.356 608 HZ1 LYS 97 3HZ LYS 97 -3.590 -3.023 -7.278 609 HZ2 LYS 97 1HZ LYS 97 -4.821 -2.526 -8.194 610 HZ3 LYS 97 2HZ LYS 97 -5.088 -3.624 -6.984 611 H GLN 98 H GLN 98 -5.968 3.053 -6.146 612 HA GLN 98 HA GLN 98 -8.574 3.962 -7.185 613 HB3 GLN 98 2HB GLN 98 -7.523 5.971 -8.135 614 HG3 GLN 98 2HG GLN 98 -6.692 7.238 -6.114 615 HE21 GLN 98 1HE2 GLN 98 -9.272 5.116 -4.872 616 HE22 GLN 98 2HE2 GLN 98 -10.572 6.244 -5.240 617 H LYS 99 H LYS 99 -8.713 3.506 -9.259 618 HA LYS 99 HA LYS 99 -8.421 2.635 -11.308 619 HB3 LYS 99 2HB LYS 99 -6.243 2.929 -12.469 620 HG3 LYS 99 2HG LYS 99 -5.839 5.339 -12.133 621 HD3 LYS 99 2HD LYS 99 -8.765 4.510 -12.420 622 HE3 LYS 99 2HE LYS 99 -8.700 6.894 -11.941 623 HZ1 LYS 99 3HZ LYS 99 -6.624 7.028 -14.029 624 HZ2 LYS 99 1HZ LYS 99 -6.449 7.431 -12.447 625 HZ3 LYS 99 2HZ LYS 99 -7.399 8.337 -13.440 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -10.788 -6.630 16.806 2 HA2 GLY 1 1HA GLY 1 -9.931 -8.621 15.654 3 HA3 GLY 1 2HA GLY 1 -11.589 -8.854 15.041 4 H GLU 2 H GLU 2 -8.852 -8.246 13.702 5 HA GLU 2 HA GLU 2 -9.901 -6.246 11.817 6 HB3 GLU 2 2HB GLU 2 -7.554 -5.353 11.638 7 HG3 GLU 2 2HG GLU 2 -8.876 -5.042 14.376 8 H ASP 3 H ASP 3 -9.270 -6.858 9.659 9 HA ASP 3 HA ASP 3 -8.605 -9.778 9.540 10 HB3 ASP 3 2HB ASP 3 -10.476 -10.035 8.047 11 H TRP 4 H TRP 4 -6.520 -9.179 8.756 12 HA TRP 4 HA TRP 4 -6.518 -7.762 6.122 13 HB3 TRP 4 2HB TRP 4 -4.262 -7.034 6.688 14 HD1 TRP 4 HD TRP 4 -5.795 -6.262 9.944 15 HE1 TRP 4 1HE TRP 4 -6.823 -3.846 9.924 16 HE3 TRP 4 3HE TRP 4 -6.008 -5.660 5.027 17 HZ2 TRP 4 2HZ TRP 4 -7.650 -1.923 7.811 18 HZ3 TRP 4 3HZ TRP 4 -6.902 -3.578 3.938 19 HH2 TRP 4 HH TRP 4 -7.641 -1.708 5.354 20 H THR 5 H THR 5 -5.071 -8.466 4.456 21 HA THR 5 HA THR 5 -4.375 -11.324 4.532 22 HB THR 5 HB THR 5 -3.806 -10.966 2.147 23 HG1 THR 5 1HG THR 5 -4.011 -8.354 2.788 24 HG21 THR 5 3HG2 THR 5 -5.960 -10.630 1.198 25 HG22 THR 5 1HG2 THR 5 -6.543 -9.833 2.668 26 HG23 THR 5 2HG2 THR 5 -6.147 -11.565 2.706 27 H GLU 6 H GLU 6 -2.264 -11.870 3.521 28 HA GLU 6 HA GLU 6 0.085 -10.520 4.480 29 HB3 GLU 6 2HB GLU 6 1.058 -11.708 2.345 30 HG3 GLU 6 2HG GLU 6 1.246 -12.373 4.783 31 H LEU 7 H LEU 7 0.795 -8.584 3.834 32 HA LEU 7 HA LEU 7 0.223 -7.291 1.374 33 HB3 LEU 7 2HB LEU 7 2.760 -6.654 2.612 34 HG LEU 7 HG LEU 7 0.206 -5.409 2.126 35 HD11 LEU 7 1HD1 LEU 7 1.621 -4.853 4.737 36 HD12 LEU 7 2HD1 LEU 7 0.041 -5.676 4.619 37 HD13 LEU 7 3HD1 LEU 7 0.197 -3.951 4.138 38 HD21 LEU 7 3HD2 LEU 7 2.872 -4.330 2.856 39 HD22 LEU 7 1HD2 LEU 7 1.469 -3.385 2.268 40 HD23 LEU 7 2HD2 LEU 7 2.216 -4.628 1.207 41 H ASN 8 H ASN 8 1.241 -7.546 -0.548 42 HA ASN 8 HA ASN 8 3.939 -8.508 -0.469 43 HB3 ASN 8 2HB ASN 8 3.758 -10.052 -2.378 44 HD21 ASN 8 1HD2 ASN 8 0.607 -11.088 -1.663 45 HD22 ASN 8 2HD2 ASN 8 0.966 -12.224 -0.423 46 H SER 9 H SER 9 4.905 -8.089 -2.841 47 HA SER 9 HA SER 9 4.291 -5.434 -3.740 48 HB3 SER 9 2HB SER 9 5.838 -7.634 -5.147 49 HG SER 9 HG SER 9 6.720 -6.094 -6.187 50 H ASN 10 H ASN 10 1.859 -6.960 -3.826 51 HA ASN 10 HA ASN 10 1.310 -7.159 -6.794 52 HB3 ASN 10 2HB ASN 10 -0.281 -9.053 -6.151 53 HD21 ASN 10 1HD2 ASN 10 3.059 -8.490 -6.781 54 HD22 ASN 10 2HD2 ASN 10 3.525 -10.124 -6.995 55 H ASN 11 H ASN 11 -0.274 -7.385 -3.567 56 HA ASN 11 HA ASN 11 -2.666 -6.025 -4.493 57 HB3 ASN 11 2HB ASN 11 -3.014 -7.639 -2.865 58 HD21 ASN 11 1HD2 ASN 11 -2.705 -8.776 -0.889 59 HD22 ASN 11 2HD2 ASN 11 -1.219 -8.691 -0.008 60 H ILE 12 H ILE 12 0.365 -4.960 -2.936 61 HA ILE 12 HA ILE 12 -0.643 -2.390 -2.208 62 HB ILE 12 HB ILE 12 1.299 -3.626 -1.252 63 HG13 ILE 12 2HG1 ILE 12 1.965 -0.776 -2.120 64 HG21 ILE 12 1HG2 ILE 12 2.365 -4.186 -3.524 65 HG22 ILE 12 2HG2 ILE 12 2.937 -2.502 -3.560 66 HG23 ILE 12 3HG2 ILE 12 3.460 -3.577 -2.277 67 HD11 ILE 12 3HD1 ILE 12 0.694 -1.856 0.438 68 HD12 ILE 12 1HD1 ILE 12 1.279 -0.210 0.194 69 HD13 ILE 12 2HD1 ILE 12 -0.085 -0.795 -0.773 70 H ILE 13 H ILE 13 0.232 -3.645 -5.315 71 HA ILE 13 HA ILE 13 1.496 -1.355 -6.400 72 HB ILE 13 HB ILE 13 0.007 -3.558 -7.872 73 HG13 ILE 13 2HG1 ILE 13 2.160 -4.756 -8.024 74 HG21 ILE 13 1HG2 ILE 13 1.765 -3.144 -9.643 75 HG22 ILE 13 2HG2 ILE 13 0.651 -1.794 -9.406 76 HG23 ILE 13 3HG2 ILE 13 2.286 -1.724 -8.725 77 HD11 ILE 13 3HD1 ILE 13 3.670 -2.840 -7.272 78 HD12 ILE 13 1HD1 ILE 13 3.026 -3.074 -5.649 79 HD13 ILE 13 2HD1 ILE 13 3.919 -4.380 -6.429 80 H GLY 14 H GLY 14 0.714 0.334 -7.650 81 HA2 GLY 14 1HA GLY 14 -1.020 1.207 -9.134 82 HA3 GLY 14 2HA GLY 14 -2.246 0.599 -8.036 83 H TYR 15 H TYR 15 -3.157 2.608 -7.535 84 HA TYR 15 HA TYR 15 -1.398 4.743 -6.421 85 HB3 TYR 15 2HB TYR 15 -3.221 6.232 -7.528 86 HD1 TYR 15 2HD TYR 15 -1.113 3.757 -9.542 87 HD2 TYR 15 1HD TYR 15 -1.973 7.861 -8.527 88 HE1 TYR 15 2HE TYR 15 0.760 4.490 -10.936 89 HE2 TYR 15 1HE TYR 15 -0.088 8.595 -9.942 90 HH TYR 15 HH TYR 15 1.971 7.792 -10.951 91 H TRP 16 H TRP 16 -2.386 6.083 -4.850 92 HA TRP 16 HA TRP 16 -4.705 4.919 -3.379 93 HB3 TRP 16 2HB TRP 16 -3.047 4.848 -1.439 94 HD1 TRP 16 HD TRP 16 -0.468 3.508 -3.632 95 HE1 TRP 16 1HE TRP 16 -0.536 0.932 -3.722 96 HE3 TRP 16 3HE TRP 16 -5.116 2.668 -1.592 97 HZ2 TRP 16 2HZ TRP 16 -2.272 -1.162 -2.952 98 HZ3 TRP 16 3HZ TRP 16 -5.926 0.269 -1.340 99 HH2 TRP 16 HH TRP 16 -4.565 -1.573 -2.128 100 H SER 17 H SER 17 -6.031 6.772 -2.755 101 HA SER 17 HA SER 17 -4.557 9.247 -2.019 102 HB3 SER 17 2HB SER 17 -7.286 9.156 -3.337 103 HG SER 17 HG SER 17 -6.461 11.427 -3.681 104 H THR 18 H THR 18 -5.874 10.679 -0.691 105 HA THR 18 HA THR 18 -7.711 9.302 1.187 106 HB THR 18 HB THR 18 -5.449 9.399 2.169 107 HG1 THR 18 1HG THR 18 -7.611 10.747 3.345 108 HG21 THR 18 3HG2 THR 18 -4.667 11.571 3.146 109 HG22 THR 18 1HG2 THR 18 -5.893 12.434 2.219 110 HG23 THR 18 2HG2 THR 18 -4.580 11.569 1.395 111 H GLY 19 H GLY 19 -7.586 11.709 -1.155 112 HA2 GLY 19 1HA GLY 19 -10.080 12.624 -0.759 113 HA3 GLY 19 2HA GLY 19 -9.143 13.702 0.298 114 H ILE 20 H ILE 20 -10.314 15.083 -1.484 115 HA ILE 20 HA ILE 20 -8.418 15.639 -3.712 116 HB ILE 20 HB ILE 20 -10.395 16.215 -5.050 117 HG13 ILE 20 2HG1 ILE 20 -11.933 16.820 -3.164 118 HG21 ILE 20 1HG2 ILE 20 -11.056 13.973 -5.593 119 HG22 ILE 20 2HG2 ILE 20 -9.383 13.914 -5.061 120 HG23 ILE 20 3HG2 ILE 20 -10.676 13.376 -3.965 121 HD11 ILE 20 3HD1 ILE 20 -13.168 14.655 -4.902 122 HD12 ILE 20 1HD1 ILE 20 -13.994 15.976 -4.067 123 HD13 ILE 20 2HD1 ILE 20 -12.893 16.342 -5.410 124 H GLU 21 H GLU 21 -9.148 16.832 -0.814 125 HA GLU 21 HA GLU 21 -9.344 19.672 -1.569 126 HB3 GLU 21 2HB GLU 21 -11.646 18.830 -1.494 127 HG3 GLU 21 2HG GLU 21 -10.748 17.482 1.017 128 H GLY 22 H GLY 22 -9.716 20.820 0.822 129 HA2 GLY 22 1HA GLY 22 -8.678 21.496 2.708 130 HA3 GLY 22 2HA GLY 22 -8.923 19.818 3.195 131 H THR 23 H THR 23 -7.103 18.510 3.471 132 HA THR 23 HA THR 23 -4.572 19.304 2.195 133 HB THR 23 HB THR 23 -4.752 18.686 5.155 134 HG1 THR 23 1HG THR 23 -4.321 21.203 3.911 135 HG21 THR 23 3HG2 THR 23 -2.445 19.761 3.514 136 HG22 THR 23 1HG2 THR 23 -2.636 18.034 3.955 137 HG23 THR 23 2HG2 THR 23 -2.403 19.271 5.218 138 H HIS 24 H HIS 24 -4.590 17.515 0.835 139 HA HIS 24 HA HIS 24 -5.053 14.872 2.086 140 HB3 HIS 24 2HB HIS 24 -6.870 15.425 0.584 141 HD1 HIS 24 1HD HIS 24 -6.780 17.757 -0.753 142 HD2 HIS 24 2HD HIS 24 -4.532 14.556 -2.340 143 HE1 HIS 24 1HE HIS 24 -6.119 18.432 -3.148 144 H LYS 25 H LYS 25 -4.025 13.108 0.370 145 HA LYS 25 HA LYS 25 -1.384 13.871 -0.462 146 HB3 LYS 25 2HB LYS 25 -1.342 13.716 2.080 147 HG3 LYS 25 2HG LYS 25 -1.519 10.792 1.564 148 HD3 LYS 25 2HD LYS 25 0.211 11.067 3.209 149 HE3 LYS 25 2HE LYS 25 -0.435 13.459 3.976 150 HZ1 LYS 25 3HZ LYS 25 -2.622 13.141 4.859 151 HZ2 LYS 25 1HZ LYS 25 -1.601 13.358 6.114 152 HZ3 LYS 25 2HZ LYS 25 -2.154 11.864 5.788 153 H LEU 26 H LEU 26 -0.314 12.098 -1.505 154 HA LEU 26 HA LEU 26 -2.173 10.022 -2.562 155 HB3 LEU 26 2HB LEU 26 -0.193 11.535 -4.291 156 HG LEU 26 HG LEU 26 -1.803 11.370 -6.052 157 HD11 LEU 26 1HD1 LEU 26 -1.832 8.636 -4.747 158 HD12 LEU 26 2HD1 LEU 26 -0.433 9.282 -5.631 159 HD13 LEU 26 3HD1 LEU 26 -1.998 8.983 -6.449 160 HD21 LEU 26 3HD2 LEU 26 -3.886 11.641 -4.748 161 HD22 LEU 26 1HD2 LEU 26 -3.692 9.998 -4.126 162 HD23 LEU 26 2HD2 LEU 26 -3.969 10.269 -5.861 163 H LEU 27 H LEU 27 -1.201 8.027 -2.771 164 HA LEU 27 HA LEU 27 1.770 7.790 -2.730 165 HB3 LEU 27 2HB LEU 27 0.720 5.282 -2.049 166 HG LEU 27 HG LEU 27 1.623 7.323 -0.026 167 HD11 LEU 27 1HD1 LEU 27 2.271 5.197 1.212 168 HD12 LEU 27 2HD1 LEU 27 1.145 4.386 0.125 169 HD13 LEU 27 3HD1 LEU 27 0.567 5.690 1.144 170 HD21 LEU 27 3HD2 LEU 27 3.476 7.250 -1.362 171 HD22 LEU 27 1HD2 LEU 27 3.217 5.568 -1.861 172 HD23 LEU 27 2HD2 LEU 27 3.835 5.950 -0.241 173 H SER 28 H SER 28 2.612 6.135 -4.194 174 HA SER 28 HA SER 28 0.736 4.593 -5.724 175 HB3 SER 28 2HB SER 28 0.801 6.371 -7.277 176 HG SER 28 HG SER 28 2.294 7.774 -7.136 177 H PHE 29 H PHE 29 1.833 2.766 -6.694 178 HA PHE 29 HA PHE 29 4.661 2.331 -6.013 179 HB3 PHE 29 2HB PHE 29 4.122 0.166 -4.949 180 HD1 PHE 29 2HD PHE 29 5.553 2.057 -3.663 181 HD2 PHE 29 1HD PHE 29 1.301 1.606 -3.349 182 HE1 PHE 29 2HE PHE 29 5.571 3.311 -1.547 183 HE2 PHE 29 1HE PHE 29 1.332 2.844 -1.190 184 HZ PHE 29 HZ PHE 29 3.509 3.566 -0.208 185 H ASP 30 H ASP 30 5.634 0.918 -7.517 186 HA ASP 30 HA ASP 30 3.919 -0.278 -9.608 187 HB3 ASP 30 2HB ASP 30 6.340 -0.287 -10.725 188 H GLU 31 H GLU 31 4.693 -2.375 -10.358 189 HA GLU 31 HA GLU 31 5.499 -3.952 -8.056 190 HB3 GLU 31 2HB GLU 31 5.365 -5.152 -10.824 191 HG3 GLU 31 2HG GLU 31 3.539 -6.221 -8.846 192 H ASP 32 H ASP 32 7.044 -2.668 -10.819 193 HA ASP 32 HA ASP 32 9.553 -4.219 -10.343 194 HB3 ASP 32 2HB ASP 32 8.849 -3.600 -13.158 195 H GLY 33 H GLY 33 8.467 -1.333 -9.888 196 HA2 GLY 33 1HA GLY 33 10.496 0.212 -11.468 197 HA3 GLY 33 2HA GLY 33 8.819 0.755 -11.249 198 H THR 34 H THR 34 8.741 2.376 -9.760 199 HA THR 34 HA THR 34 9.779 1.836 -7.093 200 HB THR 34 HB THR 34 10.637 4.117 -6.796 201 HG1 THR 34 1HG THR 34 9.525 5.220 -8.373 202 HG21 THR 34 3HG2 THR 34 12.041 2.873 -9.195 203 HG22 THR 34 1HG2 THR 34 12.216 2.297 -7.530 204 HG23 THR 34 2HG2 THR 34 12.747 3.924 -7.962 205 H GLY 35 H GLY 35 8.635 3.473 -5.533 206 HA2 GLY 35 1HA GLY 35 5.875 4.001 -6.500 207 HA3 GLY 35 2HA GLY 35 6.396 3.933 -4.835 208 H SER 36 H SER 36 4.986 5.970 -5.279 209 HA SER 36 HA SER 36 6.866 8.244 -5.225 210 HB3 SER 36 2HB SER 36 5.775 9.655 -6.654 211 HG SER 36 HG SER 36 4.829 7.216 -7.746 212 H PHE 37 H PHE 37 5.979 10.100 -3.951 213 HA PHE 37 HA PHE 37 3.441 9.571 -2.542 214 HB3 PHE 37 2HB PHE 37 6.042 10.310 -1.176 215 HD1 PHE 37 1HD PHE 37 2.424 9.419 -0.527 216 HD2 PHE 37 2HD PHE 37 5.968 11.441 0.852 217 HE1 PHE 37 1HE PHE 37 1.128 10.407 1.298 218 HE2 PHE 37 2HE PHE 37 4.702 12.386 2.729 219 HZ PHE 37 HZ PHE 37 2.278 11.893 2.991 220 H GLY 38 H GLY 38 2.374 11.656 -2.067 221 HA2 GLY 38 1HA GLY 38 4.031 14.024 -1.885 222 HA3 GLY 38 2HA GLY 38 2.931 14.059 -3.269 223 H ILE 39 H ILE 39 2.772 15.900 -1.162 224 HA ILE 39 HA ILE 39 0.211 15.247 0.233 225 HB ILE 39 HB ILE 39 2.626 16.898 1.196 226 HG13 ILE 39 2HG1 ILE 39 2.990 14.453 1.340 227 HG21 ILE 39 1HG2 ILE 39 1.338 17.200 3.307 228 HG22 ILE 39 2HG2 ILE 39 0.500 17.919 1.968 229 HG23 ILE 39 3HG2 ILE 39 -0.056 16.354 2.590 230 HD11 ILE 39 3HD1 ILE 39 3.571 14.225 3.606 231 HD12 ILE 39 1HD1 ILE 39 3.713 15.961 3.261 232 HD13 ILE 39 2HD1 ILE 39 2.299 15.323 4.143 233 H TYR 40 H TYR 40 -1.220 17.108 0.263 234 HA TYR 40 HA TYR 40 -0.657 19.254 -1.730 235 HB3 TYR 40 2HB TYR 40 -3.101 18.840 -2.359 236 HD1 TYR 40 1HD TYR 40 -1.198 15.580 -2.113 237 HD2 TYR 40 2HD TYR 40 -2.498 18.854 -4.596 238 HE1 TYR 40 1HE TYR 40 -0.258 14.448 -4.085 239 HE2 TYR 40 2HE TYR 40 -1.646 17.675 -6.602 240 HH TYR 40 HH TYR 40 0.151 14.597 -6.299 241 H SER 41 H SER 41 -2.200 21.050 -1.565 242 HA SER 41 HA SER 41 -3.737 21.364 0.945 243 HB3 SER 41 2HB SER 41 -2.968 23.878 0.482 244 HG SER 41 HG SER 41 -2.581 22.881 2.406 245 H ASN 42 H ASN 42 -5.720 21.679 0.343 246 HA ASN 42 HA ASN 42 -7.516 21.546 -0.866 247 HB3 ASN 42 2HB ASN 42 -7.658 23.950 -2.310 248 HD21 ASN 42 1HD2 ASN 42 -9.772 22.860 -1.973 249 HD22 ASN 42 2HD2 ASN 42 -10.543 23.068 -0.398 250 H ALA 43 H ALA 43 -5.725 23.217 -3.449 251 HA ALA 43 HA ALA 43 -5.937 20.858 -5.180 252 HB1 ALA 43 1HB ALA 43 -8.058 22.066 -5.558 253 HB2 ALA 43 2HB ALA 43 -7.148 23.548 -5.961 254 HB3 ALA 43 3HB ALA 43 -7.016 22.096 -6.986 255 H THR 44 H THR 44 -3.739 21.946 -3.838 256 HA THR 44 HA THR 44 -2.061 22.745 -6.116 257 HB THR 44 HB THR 44 -1.887 23.850 -3.269 258 HG1 THR 44 1HG THR 44 -3.033 25.449 -3.898 259 HG21 THR 44 3HG2 THR 44 -0.266 25.428 -4.275 260 HG22 THR 44 1HG2 THR 44 -0.420 24.614 -5.847 261 HG23 THR 44 2HG2 THR 44 0.297 23.773 -4.459 262 HA PRO 45 HA PRO 45 0.194 19.234 -4.157 263 HB3 PRO 45 2HB PRO 45 0.772 18.531 -6.302 264 HG3 PRO 45 2HG PRO 45 1.101 20.078 -8.067 265 HD3 PRO 45 2HD PRO 45 -0.992 20.774 -7.267 266 H ILE 46 H ILE 46 1.639 19.388 -2.476 267 HA ILE 46 HA ILE 46 3.257 21.895 -2.256 268 HB ILE 46 HB ILE 46 1.855 20.324 -0.069 269 HG13 ILE 46 2HG1 ILE 46 0.410 22.237 0.224 270 HG21 ILE 46 1HG2 ILE 46 3.596 22.814 0.075 271 HG22 ILE 46 2HG2 ILE 46 2.467 22.334 1.354 272 HG23 ILE 46 3HG2 ILE 46 3.802 21.271 0.933 273 HD11 ILE 46 3HD1 ILE 46 1.698 24.145 -0.616 274 HD12 ILE 46 1HD1 ILE 46 1.691 23.473 -2.259 275 HD13 ILE 46 2HD1 ILE 46 0.181 23.993 -1.518 276 H SER 47 H SER 47 3.363 18.344 -2.133 277 HA SER 47 HA SER 47 6.276 18.684 -1.850 278 HB3 SER 47 2HB SER 47 5.484 18.161 0.385 279 HG SER 47 HG SER 47 4.802 16.023 0.750 280 H PHE 48 H PHE 48 7.347 16.601 -2.293 281 HA PHE 48 HA PHE 48 6.008 14.641 -3.911 282 HB3 PHE 48 2HB PHE 48 8.195 16.058 -5.457 283 HD1 PHE 48 2HD PHE 48 4.637 15.419 -6.269 284 HD2 PHE 48 1HD PHE 48 8.671 14.053 -6.845 285 HE1 PHE 48 2HE PHE 48 3.887 14.025 -8.159 286 HE2 PHE 48 1HE PHE 48 7.927 12.622 -8.705 287 HZ PHE 48 HZ PHE 48 5.535 12.603 -9.400 288 H GLN 49 H GLN 49 7.365 12.819 -4.207 289 HA GLN 49 HA GLN 49 10.172 12.894 -4.157 290 HB3 GLN 49 2HB GLN 49 10.092 12.964 -1.749 291 HG3 GLN 49 2HG GLN 49 8.192 10.598 -1.757 292 HE21 GLN 49 1HE2 GLN 49 10.058 9.865 -0.187 293 HE22 GLN 49 2HE2 GLN 49 9.840 10.362 1.471 294 H MET 50 H MET 50 10.914 10.635 -4.606 295 HA MET 50 HA MET 50 8.805 8.667 -5.027 296 HB3 MET 50 2HB MET 50 9.998 7.714 -6.996 297 HG3 MET 50 2HG MET 50 9.167 10.590 -7.514 298 HE1 MET 50 3HE MET 50 10.624 9.029 -10.917 299 HE2 MET 50 1HE MET 50 10.813 10.354 -9.734 300 HE3 MET 50 2HE MET 50 11.195 8.680 -9.272 301 H PHE 51 H PHE 51 9.728 6.467 -4.788 302 HA PHE 51 HA PHE 51 12.327 6.270 -3.691 303 HB3 PHE 51 2HB PHE 51 11.637 6.984 -1.627 304 HD1 PHE 51 2HD PHE 51 9.702 8.470 -1.624 305 HD2 PHE 51 1HD PHE 51 9.328 4.240 -1.034 306 HE1 PHE 51 2HE PHE 51 7.580 8.826 -0.350 307 HE2 PHE 51 1HE PHE 51 7.182 4.582 0.162 308 HZ PHE 51 HZ PHE 51 6.321 6.899 0.552 309 H ASP 52 H ASP 52 13.032 4.169 -3.708 310 HA ASP 52 HA ASP 52 11.157 2.186 -4.894 311 HB3 ASP 52 2HB ASP 52 13.999 1.526 -4.055 312 H TYR 53 H TYR 53 10.977 0.165 -3.847 313 HA TYR 53 HA TYR 53 11.245 0.063 -0.978 314 HB3 TYR 53 2HB TYR 53 9.124 1.451 -1.360 315 HD1 TYR 53 1HD TYR 53 8.537 1.141 -3.911 316 HD2 TYR 53 2HD TYR 53 7.348 -1.625 -0.848 317 HE1 TYR 53 1HE TYR 53 6.982 0.076 -5.507 318 HE2 TYR 53 2HE TYR 53 5.745 -2.688 -2.457 319 HH TYR 53 HH TYR 53 5.771 -1.908 -5.890 320 H LYS 54 H LYS 54 10.214 -2.066 -0.112 321 HA LYS 54 HA LYS 54 9.592 -4.044 -2.170 322 HB3 LYS 54 2HB LYS 54 10.976 -5.760 -1.219 323 HG3 LYS 54 2HG LYS 54 12.816 -3.435 -1.597 324 HD3 LYS 54 2HD LYS 54 14.194 -4.930 -2.913 325 HE3 LYS 54 2HE LYS 54 14.334 -4.692 -0.344 326 HZ1 LYS 54 3HZ LYS 54 13.749 -7.576 -0.428 327 HZ2 LYS 54 1HZ LYS 54 12.560 -6.504 -0.036 328 HZ3 LYS 54 2HZ LYS 54 13.911 -6.615 0.886 329 H ILE 55 H ILE 55 8.416 -5.908 -1.187 330 HA ILE 55 HA ILE 55 7.464 -5.438 1.591 331 HB ILE 55 HB ILE 55 5.881 -6.900 -0.521 332 HG13 ILE 55 2HG1 ILE 55 4.479 -5.059 -0.939 333 HG21 ILE 55 1HG2 ILE 55 5.032 -5.696 2.181 334 HG22 ILE 55 2HG2 ILE 55 3.973 -6.390 0.965 335 HG23 ILE 55 3HG2 ILE 55 5.183 -7.407 1.762 336 HD11 ILE 55 3HD1 ILE 55 4.575 -3.795 1.170 337 HD12 ILE 55 1HD1 ILE 55 6.258 -3.387 0.855 338 HD13 ILE 55 2HD1 ILE 55 4.980 -2.769 -0.217 339 H GLU 56 H GLU 56 9.175 -6.642 2.500 340 HA GLU 56 HA GLU 56 9.144 -9.553 1.888 341 HB3 GLU 56 2HB GLU 56 11.557 -8.027 2.871 342 HG3 GLU 56 2HG GLU 56 11.427 -10.637 2.827 343 H GLU 57 H GLU 57 7.583 -8.065 3.814 344 HA GLU 57 HA GLU 57 8.035 -9.476 6.151 345 HB3 GLU 57 2HB GLU 57 8.302 -6.790 7.082 346 HG3 GLU 57 2HG GLU 57 10.078 -9.205 7.429 347 H GLY 58 H GLY 58 5.932 -8.429 4.165 348 HA2 GLY 58 1HA GLY 58 3.707 -7.840 4.299 349 HA3 GLY 58 2HA GLY 58 3.769 -8.242 6.025 350 H ARG 59 H ARG 59 5.923 -5.871 4.603 351 HA ARG 59 HA ARG 59 4.722 -3.495 5.814 352 HB3 ARG 59 2HB ARG 59 6.973 -3.147 7.017 353 HG3 ARG 59 2HG ARG 59 5.357 -5.562 7.902 354 HD3 ARG 59 2HD ARG 59 6.914 -3.560 9.516 355 HE ARG 59 HE ARG 59 4.786 -5.448 10.154 356 HH11 ARG 59 1HH1 ARG 59 7.726 -4.072 11.491 357 HH12 ARG 59 2HH1 ARG 59 7.065 -3.653 13.041 358 HH21 ARG 59 1HH2 ARG 59 3.960 -5.333 12.338 359 HH22 ARG 59 2HH2 ARG 59 4.900 -4.568 13.575 360 H ILE 60 H ILE 60 6.223 -1.620 5.189 361 HA ILE 60 HA ILE 60 7.198 -2.148 2.415 362 HB ILE 60 HB ILE 60 6.390 0.461 3.707 363 HG13 ILE 60 2HG1 ILE 60 4.514 -1.237 3.223 364 HG21 ILE 60 1HG2 ILE 60 8.136 0.559 1.854 365 HG22 ILE 60 2HG2 ILE 60 6.915 -0.129 0.773 366 HG23 ILE 60 3HG2 ILE 60 6.643 1.447 1.516 367 HD11 ILE 60 3HD1 ILE 60 3.034 0.360 2.203 368 HD12 ILE 60 1HD1 ILE 60 4.099 1.192 3.365 369 HD13 ILE 60 2HD1 ILE 60 4.407 1.322 1.614 370 H TYR 61 H TYR 61 9.245 -2.444 2.305 371 HA TYR 61 HA TYR 61 11.194 -1.366 4.307 372 HB3 TYR 61 2HB TYR 61 11.596 -3.176 1.884 373 HD1 TYR 61 1HD TYR 61 13.254 -2.034 5.098 374 HD2 TYR 61 2HD TYR 61 13.766 -3.207 0.986 375 HE1 TYR 61 1HE TYR 61 15.685 -1.863 5.370 376 HE2 TYR 61 2HE TYR 61 16.230 -3.044 1.239 377 HH TYR 61 HH TYR 61 17.738 -2.001 4.339 378 H ILE 62 H ILE 62 11.603 0.776 3.892 379 HA ILE 62 HA ILE 62 11.679 1.846 1.114 380 HB ILE 62 HB ILE 62 12.105 3.202 3.827 381 HG13 ILE 62 2HG1 ILE 62 9.853 4.148 3.613 382 HG21 ILE 62 1HG2 ILE 62 13.135 4.503 2.077 383 HG22 ILE 62 2HG2 ILE 62 11.704 4.371 1.037 384 HG23 ILE 62 3HG2 ILE 62 11.643 5.314 2.543 385 HD11 ILE 62 3HD1 ILE 62 9.421 3.960 1.243 386 HD12 ILE 62 1HD1 ILE 62 9.450 2.194 1.293 387 HD13 ILE 62 2HD1 ILE 62 8.176 3.093 2.147 388 H TYR 63 H TYR 63 13.730 2.277 0.153 389 HA TYR 63 HA TYR 63 16.083 2.371 1.898 390 HB3 TYR 63 2HB TYR 63 15.678 -0.061 1.510 391 HD1 TYR 63 1HD TYR 63 13.748 -0.539 -0.079 392 HD2 TYR 63 2HD TYR 63 17.670 0.546 -1.508 393 HE1 TYR 63 1HE TYR 63 13.241 -1.534 -2.303 394 HE2 TYR 63 2HE TYR 63 17.162 -0.556 -3.696 395 HH TYR 63 HH TYR 63 14.507 -1.354 -4.911 396 H ASP 64 H ASP 64 14.605 3.728 -0.847 397 HA ASP 64 HA ASP 64 17.042 5.003 -1.582 398 HB3 ASP 64 2HB ASP 64 15.351 3.431 -3.600 399 H VAL 65 H VAL 65 16.362 7.048 -1.530 400 HA VAL 65 HA VAL 65 13.602 7.767 -2.268 401 HB VAL 65 HB VAL 65 14.989 8.883 0.212 402 HG11 VAL 65 1HG1 VAL 65 12.679 9.675 0.778 403 HG12 VAL 65 2HG1 VAL 65 13.341 10.397 -0.685 404 HG13 VAL 65 3HG1 VAL 65 12.143 9.092 -0.818 405 HG21 VAL 65 3HG2 VAL 65 13.341 7.593 1.596 406 HG22 VAL 65 1HG2 VAL 65 12.938 6.650 0.152 407 HG23 VAL 65 2HG2 VAL 65 14.576 6.594 0.822 408 H TYR 66 H TYR 66 13.479 9.946 -3.106 409 HA TYR 66 HA TYR 66 15.960 11.545 -3.207 410 HB3 TYR 66 2HB TYR 66 15.308 9.951 -5.380 411 HD1 TYR 66 1HD TYR 66 12.762 10.219 -5.902 412 HD2 TYR 66 2HD TYR 66 15.678 13.305 -6.652 413 HE1 TYR 66 1HE TYR 66 11.157 11.435 -7.373 414 HE2 TYR 66 2HE TYR 66 14.119 14.519 -8.010 415 HH TYR 66 HH TYR 66 11.702 13.484 -9.505 416 HA PRO 67 HA PRO 67 16.252 13.543 -4.710 417 HB3 PRO 67 2HB PRO 67 15.576 15.598 -5.410 418 HG3 PRO 67 2HG PRO 67 14.075 16.958 -4.053 419 HD3 PRO 67 2HD PRO 67 13.090 14.854 -4.662 420 H ASP 68 H ASP 68 15.222 13.982 -1.388 421 HA ASP 68 HA ASP 68 18.049 14.064 -0.426 422 HB3 ASP 68 2HB ASP 68 16.667 14.397 1.815 423 H GLU 69 H GLU 69 18.667 11.996 -0.549 424 HA GLU 69 HA GLU 69 17.040 9.700 -0.171 425 HB3 GLU 69 2HB GLU 69 19.057 9.470 -1.430 426 HG3 GLU 69 2HG GLU 69 20.328 10.843 0.903 427 H LYS 70 H LYS 70 16.619 8.468 1.590 428 HA LYS 70 HA LYS 70 17.357 9.490 4.274 429 HB3 LYS 70 2HB LYS 70 15.183 8.476 4.963 430 HG3 LYS 70 2HG LYS 70 13.644 9.547 3.020 431 HD3 LYS 70 2HD LYS 70 13.708 10.399 5.355 432 HE3 LYS 70 2HE LYS 70 16.079 12.072 4.363 433 HZ1 LYS 70 3HZ LYS 70 16.250 12.202 6.890 434 HZ2 LYS 70 1HZ LYS 70 14.647 11.915 6.940 435 HZ3 LYS 70 2HZ LYS 70 15.240 13.253 6.162 436 H THR 71 H THR 71 17.618 7.825 5.951 437 HA THR 71 HA THR 71 19.084 5.527 5.075 438 HB THR 71 HB THR 71 19.400 6.791 7.208 439 HG1 THR 71 1HG THR 71 20.415 4.866 6.986 440 HG21 THR 71 3HG2 THR 71 17.013 6.869 7.891 441 HG22 THR 71 1HG2 THR 71 18.064 6.163 9.139 442 HG23 THR 71 2HG2 THR 71 17.051 5.110 8.134 443 HA PRO 72 HA PRO 72 15.644 2.881 4.288 444 HB3 PRO 72 2HB PRO 72 17.138 1.324 3.337 445 HG3 PRO 72 2HG PRO 72 19.279 0.957 4.331 446 HD3 PRO 72 2HD PRO 72 18.979 3.286 3.837 447 H TYR 73 H TYR 73 13.920 1.825 5.335 448 HA TYR 73 HA TYR 73 14.179 0.704 7.988 449 HB3 TYR 73 2HB TYR 73 14.004 2.883 8.817 450 HD1 TYR 73 1HD TYR 73 10.664 2.892 7.080 451 HD2 TYR 73 2HD TYR 73 14.441 4.887 7.640 452 HE1 TYR 73 1HE TYR 73 9.819 4.863 5.836 453 HE2 TYR 73 2HE TYR 73 13.584 6.872 6.457 454 HH TYR 73 HH TYR 73 10.319 6.966 4.973 455 H TYR 74 H TYR 74 11.915 -0.042 8.762 456 HA TYR 74 HA TYR 74 10.308 -0.970 6.433 457 HB3 TYR 74 2HB TYR 74 9.508 -2.730 8.056 458 HD1 TYR 74 2HD TYR 74 13.237 -2.417 8.317 459 HD2 TYR 74 1HD TYR 74 9.920 -4.384 6.359 460 HE1 TYR 74 2HE TYR 74 14.806 -3.910 7.150 461 HE2 TYR 74 1HE TYR 74 11.488 -5.898 5.228 462 HH TYR 74 HH TYR 74 15.029 -5.571 5.526 463 H LEU 75 H LEU 75 8.282 -0.183 6.361 464 HA LEU 75 HA LEU 75 7.111 1.288 8.693 465 HB3 LEU 75 2HB LEU 75 5.576 2.226 6.932 466 HG LEU 75 HG LEU 75 8.523 2.602 6.252 467 HD11 LEU 75 1HD1 LEU 75 6.102 4.104 5.191 468 HD12 LEU 75 2HD1 LEU 75 7.034 2.899 4.274 469 HD13 LEU 75 3HD1 LEU 75 7.811 4.397 4.764 470 HD21 LEU 75 3HD2 LEU 75 6.469 4.405 7.614 471 HD22 LEU 75 1HD2 LEU 75 8.162 4.840 7.309 472 HD23 LEU 75 2HD2 LEU 75 7.797 3.548 8.442 473 H ASP 76 H ASP 76 5.397 0.598 9.626 474 HA ASP 76 HA ASP 76 4.265 -1.956 9.004 475 HB3 ASP 76 2HB ASP 76 4.120 -1.800 11.118 476 H CYS 77 H CYS 77 2.549 -2.462 7.869 477 HA CYS 77 HA CYS 77 0.389 -0.669 7.530 478 HB3 CYS 77 2HB CYS 77 1.349 0.044 5.455 479 HG CYS 77 HG CYS 77 2.137 -3.161 5.305 480 H LYS 78 H LYS 78 -1.441 -1.838 6.720 481 HA LYS 78 HA LYS 78 -1.124 -4.693 6.067 482 HB3 LYS 78 2HB LYS 78 -3.522 -4.884 6.848 483 HG3 LYS 78 2HG LYS 78 -1.479 -5.462 8.293 484 HD3 LYS 78 2HD LYS 78 -2.624 -3.124 9.846 485 HE3 LYS 78 2HE LYS 78 -1.204 -5.616 10.872 486 HZ1 LYS 78 3HZ LYS 78 -0.664 -3.617 12.176 487 HZ2 LYS 78 1HZ LYS 78 -1.524 -4.709 13.016 488 HZ3 LYS 78 2HZ LYS 78 -2.262 -3.350 12.436 489 H ILE 79 H ILE 79 -2.916 -5.533 4.620 490 HA ILE 79 HA ILE 79 -4.478 -3.583 3.187 491 HB ILE 79 HB ILE 79 -2.031 -3.639 2.237 492 HG13 ILE 79 2HG1 ILE 79 -3.943 -2.564 1.094 493 HG21 ILE 79 1HG2 ILE 79 -1.940 -6.182 2.264 494 HG22 ILE 79 2HG2 ILE 79 -3.019 -6.173 0.858 495 HG23 ILE 79 3HG2 ILE 79 -1.420 -5.412 0.771 496 HD11 ILE 79 3HD1 ILE 79 -1.655 -2.451 0.224 497 HD12 ILE 79 1HD1 ILE 79 -1.938 -3.930 -0.726 498 HD13 ILE 79 2HD1 ILE 79 -2.851 -2.478 -1.080 499 H SER 80 H SER 80 -6.021 -4.722 1.878 500 HA SER 80 HA SER 80 -6.184 -7.712 2.007 501 HB3 SER 80 2HB SER 80 -8.639 -7.514 2.103 502 HG SER 80 HG SER 80 -7.913 -7.832 4.065 503 H GLY 81 H GLY 81 -7.757 -4.956 0.392 504 HA2 GLY 81 1HA GLY 81 -6.819 -5.772 -2.245 505 HA3 GLY 81 2HA GLY 81 -8.586 -5.679 -2.052 506 H THR 82 H THR 82 -9.517 -3.575 -1.337 507 HA THR 82 HA THR 82 -7.996 -1.454 -2.596 508 HB THR 82 HB THR 82 -10.364 -0.382 -2.433 509 HG1 THR 82 1HG THR 82 -10.997 -2.218 -0.879 510 HG21 THR 82 3HG2 THR 82 -11.118 -1.766 -4.363 511 HG22 THR 82 1HG2 THR 82 -9.828 -2.934 -4.035 512 HG23 THR 82 2HG2 THR 82 -9.430 -1.271 -4.522 513 H THR 83 H THR 83 -8.426 -2.151 0.753 514 HA THR 83 HA THR 83 -8.146 0.725 1.463 515 HB THR 83 HB THR 83 -8.473 -1.655 3.301 516 HG1 THR 83 1HG THR 83 -10.575 -1.258 3.423 517 HG21 THR 83 3HG2 THR 83 -7.541 0.532 4.191 518 HG22 THR 83 1HG2 THR 83 -9.045 -0.003 4.958 519 HG23 THR 83 2HG2 THR 83 -9.062 1.306 3.730 520 H LEU 84 H LEU 84 -5.893 1.230 1.145 521 HA LEU 84 HA LEU 84 -3.843 -0.633 2.207 522 HB3 LEU 84 2HB LEU 84 -3.358 2.239 1.441 523 HG LEU 84 HG LEU 84 -1.603 -0.025 0.730 524 HD11 LEU 84 1HD1 LEU 84 0.187 1.686 0.901 525 HD12 LEU 84 2HD1 LEU 84 -1.008 2.858 1.461 526 HD13 LEU 84 3HD1 LEU 84 -1.126 2.185 -0.172 527 HD21 LEU 84 3HD2 LEU 84 -1.726 -0.700 2.890 528 HD22 LEU 84 1HD2 LEU 84 -1.476 0.957 3.516 529 HD23 LEU 84 2HD2 LEU 84 -0.181 0.088 2.653 530 H LYS 85 H LYS 85 -3.637 -0.673 4.352 531 HA LYS 85 HA LYS 85 -4.280 1.821 5.921 532 HB3 LYS 85 2HB LYS 85 -4.259 -1.119 6.767 533 HG3 LYS 85 2HG LYS 85 -4.920 1.458 8.246 534 HD3 LYS 85 2HD LYS 85 -5.194 -1.443 9.146 535 HE3 LYS 85 2HE LYS 85 -4.373 0.230 10.870 536 HZ1 LYS 85 3HZ LYS 85 -7.117 1.295 10.731 537 HZ2 LYS 85 1HZ LYS 85 -5.847 2.073 10.025 538 HZ3 LYS 85 2HZ LYS 85 -5.841 1.826 11.642 539 H VAL 86 H VAL 86 -2.226 2.796 5.496 540 HA VAL 86 HA VAL 86 0.175 1.389 6.520 541 HB VAL 86 HB VAL 86 0.003 4.315 5.761 542 HG11 VAL 86 1HG1 VAL 86 2.327 2.335 5.803 543 HG12 VAL 86 2HG1 VAL 86 2.408 4.080 5.470 544 HG13 VAL 86 3HG1 VAL 86 1.944 3.509 7.069 545 HG21 VAL 86 3HG2 VAL 86 0.701 1.996 3.891 546 HG22 VAL 86 1HG2 VAL 86 -0.699 3.069 3.736 547 HG23 VAL 86 2HG2 VAL 86 0.928 3.713 3.544 548 H GLU 87 H GLU 87 0.838 1.495 8.648 549 HA GLU 87 HA GLU 87 -0.799 2.990 10.584 550 HB3 GLU 87 2HB GLU 87 1.009 1.947 12.134 551 HG3 GLU 87 2HG GLU 87 -0.228 -0.400 11.449 552 H THR 88 H THR 88 2.646 3.030 9.409 553 HA THR 88 HA THR 88 2.978 5.659 10.790 554 HB THR 88 HB THR 88 3.897 3.730 12.021 555 HG1 THR 88 1HG THR 88 4.807 5.845 12.203 556 HG21 THR 88 3HG2 THR 88 5.942 2.638 11.210 557 HG22 THR 88 1HG2 THR 88 5.833 3.532 9.690 558 HG23 THR 88 2HG2 THR 88 4.593 2.332 10.106 559 H GLY 89 H GLY 89 5.456 6.453 9.950 560 HA2 GLY 89 1HA GLY 89 6.620 7.324 8.191 561 HA3 GLY 89 2HA GLY 89 5.533 6.497 7.044 562 H SER 90 H SER 90 6.032 8.967 6.370 563 HA SER 90 HA SER 90 4.030 10.905 7.209 564 HB3 SER 90 2HB SER 90 4.344 11.869 4.984 565 HG SER 90 HG SER 90 5.906 12.071 6.839 566 H GLU 91 H GLU 91 3.875 7.922 5.483 567 HA GLU 91 HA GLU 91 1.501 8.685 4.016 568 HB3 GLU 91 2HB GLU 91 1.714 6.578 2.929 569 HG3 GLU 91 2HG GLU 91 3.452 8.355 2.360 570 H ALA 92 H ALA 92 1.840 7.859 7.050 571 HA ALA 92 HA ALA 92 -0.011 5.875 7.758 572 HB1 ALA 92 1HB ALA 92 0.762 8.437 9.214 573 HB2 ALA 92 2HB ALA 92 -0.110 7.077 9.953 574 HB3 ALA 92 3HB ALA 92 1.548 6.861 9.359 575 H GLY 93 H GLY 93 -2.025 5.780 7.030 576 HA2 GLY 93 1HA GLY 93 -4.005 7.945 7.296 577 HA3 GLY 93 2HA GLY 93 -3.399 7.683 5.664 578 H THR 94 H THR 94 -5.481 7.133 5.032 579 HA THR 94 HA THR 94 -5.824 4.242 5.038 580 HB THR 94 HB THR 94 -7.458 4.792 6.697 581 HG1 THR 94 1HG THR 94 -9.297 4.117 5.670 582 HG21 THR 94 3HG2 THR 94 -9.310 6.396 6.364 583 HG22 THR 94 1HG2 THR 94 -8.579 6.951 4.862 584 HG23 THR 94 2HG2 THR 94 -7.739 7.201 6.412 585 H TYR 95 H TYR 95 -5.843 3.686 2.866 586 HA TYR 95 HA TYR 95 -6.606 5.835 0.939 587 HB3 TYR 95 2HB TYR 95 -4.996 5.091 -0.587 588 HD1 TYR 95 2HD TYR 95 -4.311 7.426 -0.095 589 HD2 TYR 95 1HD TYR 95 -2.833 4.127 2.215 590 HE1 TYR 95 2HE TYR 95 -2.554 8.889 0.790 591 HE2 TYR 95 1HE TYR 95 -0.956 5.532 2.980 592 HH TYR 95 HH TYR 95 -0.334 7.674 3.326 593 H LYS 96 H LYS 96 -8.261 5.315 -0.355 594 HA LYS 96 HA LYS 96 -9.327 2.596 -0.234 595 HB3 LYS 96 2HB LYS 96 -11.234 3.888 -1.604 596 HG3 LYS 96 2HG LYS 96 -12.095 4.820 0.460 597 HD3 LYS 96 2HD LYS 96 -11.038 2.220 1.474 598 HE3 LYS 96 2HE LYS 96 -13.481 1.702 1.519 599 HZ1 LYS 96 3HZ LYS 96 -12.937 4.389 2.641 600 HZ2 LYS 96 1HZ LYS 96 -12.651 2.941 3.412 601 HZ3 LYS 96 2HZ LYS 96 -14.174 3.390 3.049 602 H LYS 97 H LYS 97 -6.943 3.045 -1.990 603 HA LYS 97 HA LYS 97 -6.065 2.606 -4.034 604 HB3 LYS 97 2HB LYS 97 -8.543 0.994 -4.557 605 HG3 LYS 97 2HG LYS 97 -5.614 0.861 -5.302 606 HD3 LYS 97 2HD LYS 97 -7.581 -1.245 -6.197 607 HE3 LYS 97 2HE LYS 97 -4.594 -1.497 -5.747 608 HZ1 LYS 97 3HZ LYS 97 -6.357 -2.400 -7.955 609 HZ2 LYS 97 1HZ LYS 97 -5.824 -3.408 -6.775 610 HZ3 LYS 97 2HZ LYS 97 -4.769 -2.749 -7.841 611 H GLN 98 H GLN 98 -6.124 3.184 -6.265 612 HA GLN 98 HA GLN 98 -8.290 4.963 -7.255 613 HB3 GLN 98 2HB GLN 98 -6.604 6.655 -7.842 614 HG3 GLN 98 2HG GLN 98 -5.572 7.249 -5.598 615 HE21 GLN 98 1HE2 GLN 98 -8.844 6.059 -4.826 616 HE22 GLN 98 2HE2 GLN 98 -9.603 7.632 -4.990 617 H LYS 99 H LYS 99 -8.021 2.451 -7.936 618 HA LYS 99 HA LYS 99 -7.393 2.616 -10.746 619 HB3 LYS 99 2HB LYS 99 -6.077 0.132 -9.892 620 HG3 LYS 99 2HG LYS 99 -5.034 2.626 -11.313 621 HD3 LYS 99 2HD LYS 99 -4.165 -0.293 -11.455 622 HE3 LYS 99 2HE LYS 99 -3.549 2.120 -13.228 623 HZ1 LYS 99 3HZ LYS 99 -2.429 -0.612 -13.332 624 HZ2 LYS 99 1HZ LYS 99 -1.608 0.790 -13.081 625 HZ3 LYS 99 2HZ LYS 99 -2.328 0.505 -14.533 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -11.393 -9.807 13.432 2 HA2 GLY 1 1HA GLY 1 -11.655 -8.230 15.930 3 HA3 GLY 1 2HA GLY 1 -10.180 -9.122 15.510 4 H GLU 2 H GLU 2 -8.834 -8.374 13.801 5 HA GLU 2 HA GLU 2 -9.738 -6.046 12.226 6 HB3 GLU 2 2HB GLU 2 -8.551 -4.878 13.888 7 HG3 GLU 2 2HG GLU 2 -6.825 -7.277 14.112 8 H ASP 3 H ASP 3 -10.063 -7.755 10.754 9 HA ASP 3 HA ASP 3 -7.921 -9.650 10.273 10 HB3 ASP 3 2HB ASP 3 -9.531 -10.892 8.984 11 H TRP 4 H TRP 4 -6.383 -8.910 9.168 12 HA TRP 4 HA TRP 4 -6.766 -7.397 6.643 13 HB3 TRP 4 2HB TRP 4 -4.326 -6.839 7.046 14 HD1 TRP 4 HD TRP 4 -5.710 -5.893 10.381 15 HE1 TRP 4 1HE TRP 4 -6.632 -3.485 10.323 16 HE3 TRP 4 3HE TRP 4 -5.836 -5.367 5.436 17 HZ2 TRP 4 2HZ TRP 4 -7.459 -1.524 8.097 18 HZ3 TRP 4 3HZ TRP 4 -6.667 -3.314 4.316 19 HH2 TRP 4 HH TRP 4 -7.397 -1.386 5.687 20 H THR 5 H THR 5 -5.118 -8.003 4.844 21 HA THR 5 HA THR 5 -4.676 -10.942 4.822 22 HB THR 5 HB THR 5 -4.169 -10.697 2.445 23 HG1 THR 5 1HG THR 5 -4.486 -7.973 2.923 24 HG21 THR 5 3HG2 THR 5 -6.342 -10.227 1.567 25 HG22 THR 5 1HG2 THR 5 -6.842 -9.414 3.063 26 HG23 THR 5 2HG2 THR 5 -6.494 -11.152 3.071 27 H GLU 6 H GLU 6 -2.615 -11.637 3.875 28 HA GLU 6 HA GLU 6 -0.193 -10.524 4.891 29 HB3 GLU 6 2HB GLU 6 0.660 -11.774 2.655 30 HG3 GLU 6 2HG GLU 6 -0.389 -12.937 5.242 31 H LEU 7 H LEU 7 0.808 -8.757 4.345 32 HA LEU 7 HA LEU 7 0.199 -7.176 1.976 33 HB3 LEU 7 2HB LEU 7 2.680 -7.141 3.744 34 HG LEU 7 HG LEU 7 2.713 -5.647 1.705 35 HD11 LEU 7 1HD1 LEU 7 0.454 -4.249 3.199 36 HD12 LEU 7 2HD1 LEU 7 0.365 -4.954 1.559 37 HD13 LEU 7 3HD1 LEU 7 1.373 -3.539 1.862 38 HD21 LEU 7 3HD2 LEU 7 3.346 -3.621 3.011 39 HD22 LEU 7 1HD2 LEU 7 4.037 -5.124 3.655 40 HD23 LEU 7 2HD2 LEU 7 2.637 -4.359 4.467 41 H ASN 8 H ASN 8 0.934 -7.710 0.028 42 HA ASN 8 HA ASN 8 3.418 -9.270 -0.360 43 HB3 ASN 8 2HB ASN 8 2.492 -10.165 -2.425 44 HD21 ASN 8 1HD2 ASN 8 -0.490 -10.122 -0.500 45 HD22 ASN 8 2HD2 ASN 8 -0.385 -11.812 -0.062 46 H SER 9 H SER 9 4.369 -8.496 -2.515 47 HA SER 9 HA SER 9 4.209 -5.640 -2.863 48 HB3 SER 9 2HB SER 9 6.256 -6.598 -3.475 49 HG SER 9 HG SER 9 6.394 -8.367 -4.874 50 H ASN 10 H ASN 10 2.963 -8.450 -4.520 51 HA ASN 10 HA ASN 10 1.497 -7.335 -6.612 52 HB3 ASN 10 2HB ASN 10 -0.044 -9.456 -6.005 53 HD21 ASN 10 1HD2 ASN 10 3.588 -10.074 -6.242 54 HD22 ASN 10 2HD2 ASN 10 3.492 -10.320 -7.944 55 H ASN 11 H ASN 11 0.685 -7.043 -3.210 56 HA ASN 11 HA ASN 11 -2.164 -6.520 -3.813 57 HB3 ASN 11 2HB ASN 11 -2.310 -6.121 -1.341 58 HD21 ASN 11 1HD2 ASN 11 -1.765 -8.384 0.331 59 HD22 ASN 11 2HD2 ASN 11 -2.594 -9.648 -0.473 60 H ILE 12 H ILE 12 0.813 -4.673 -3.185 61 HA ILE 12 HA ILE 12 -0.702 -2.327 -2.250 62 HB ILE 12 HB ILE 12 1.100 -3.000 -0.943 63 HG13 ILE 12 2HG1 ILE 12 1.791 -0.409 -2.339 64 HG21 ILE 12 1HG2 ILE 12 2.499 -4.280 -2.345 65 HG22 ILE 12 2HG2 ILE 12 2.908 -2.882 -3.371 66 HG23 ILE 12 3HG2 ILE 12 3.490 -3.008 -1.703 67 HD11 ILE 12 3HD1 ILE 12 1.258 0.528 -0.116 68 HD12 ILE 12 1HD1 ILE 12 -0.141 -0.390 -0.737 69 HD13 ILE 12 2HD1 ILE 12 0.939 -1.092 0.514 70 H ILE 13 H ILE 13 0.313 -3.489 -5.250 71 HA ILE 13 HA ILE 13 1.257 -1.226 -6.532 72 HB ILE 13 HB ILE 13 -0.486 -3.319 -7.871 73 HG13 ILE 13 2HG1 ILE 13 1.538 -4.694 -8.224 74 HG21 ILE 13 1HG2 ILE 13 0.174 -1.576 -9.386 75 HG22 ILE 13 2HG2 ILE 13 1.847 -1.604 -8.808 76 HG23 ILE 13 3HG2 ILE 13 1.211 -2.966 -9.730 77 HD11 ILE 13 3HD1 ILE 13 2.792 -3.171 -5.896 78 HD12 ILE 13 1HD1 ILE 13 3.473 -4.519 -6.822 79 HD13 ILE 13 2HD1 ILE 13 3.257 -2.916 -7.574 80 H GLY 14 H GLY 14 0.407 0.588 -7.355 81 HA2 GLY 14 1HA GLY 14 -1.383 1.352 -8.938 82 HA3 GLY 14 2HA GLY 14 -2.544 0.921 -7.671 83 H TYR 15 H TYR 15 -2.706 3.492 -8.464 84 HA TYR 15 HA TYR 15 -1.280 5.164 -6.531 85 HB3 TYR 15 2HB TYR 15 -3.115 6.814 -7.204 86 HD1 TYR 15 1HD TYR 15 -0.427 4.982 -9.069 87 HD2 TYR 15 2HD TYR 15 -2.885 8.513 -8.865 88 HE1 TYR 15 1HE TYR 15 1.032 6.083 -10.682 89 HE2 TYR 15 2HE TYR 15 -1.443 9.628 -10.520 90 HH TYR 15 HH TYR 15 1.265 7.930 -12.151 91 H TRP 16 H TRP 16 -2.493 6.265 -4.785 92 HA TRP 16 HA TRP 16 -5.065 5.090 -3.923 93 HB3 TRP 16 2HB TRP 16 -4.292 4.447 -1.782 94 HD1 TRP 16 HD TRP 16 -1.158 3.591 -3.881 95 HE1 TRP 16 1HE TRP 16 -1.013 1.045 -4.106 96 HE3 TRP 16 3HE TRP 16 -5.472 2.259 -1.434 97 HZ2 TRP 16 2HZ TRP 16 -2.502 -1.251 -3.334 98 HZ3 TRP 16 3HZ TRP 16 -6.072 -0.139 -1.221 99 HH2 TRP 16 HH TRP 16 -4.624 -1.889 -2.211 100 H SER 17 H SER 17 -6.271 6.669 -2.502 101 HA SER 17 HA SER 17 -4.853 9.230 -1.978 102 HB3 SER 17 2HB SER 17 -6.139 9.337 -4.131 103 HG SER 17 HG SER 17 -8.454 9.444 -3.830 104 H THR 18 H THR 18 -6.381 10.738 -0.655 105 HA THR 18 HA THR 18 -7.897 9.212 1.383 106 HB THR 18 HB THR 18 -5.546 9.518 2.043 107 HG1 THR 18 1HG THR 18 -7.553 10.786 3.562 108 HG21 THR 18 3HG2 THR 18 -4.747 11.689 2.831 109 HG22 THR 18 1HG2 THR 18 -6.236 12.484 2.288 110 HG23 THR 18 2HG2 THR 18 -5.121 11.774 1.102 111 H GLY 19 H GLY 19 -8.466 11.343 -0.946 112 HA2 GLY 19 1HA GLY 19 -10.760 12.343 -0.761 113 HA3 GLY 19 2HA GLY 19 -10.122 13.202 0.659 114 H ILE 20 H ILE 20 -10.962 14.829 -1.309 115 HA ILE 20 HA ILE 20 -8.445 15.802 -2.570 116 HB ILE 20 HB ILE 20 -9.663 16.428 -4.539 117 HG13 ILE 20 2HG1 ILE 20 -11.924 16.756 -3.490 118 HG21 ILE 20 1HG2 ILE 20 -9.830 14.247 -5.509 119 HG22 ILE 20 2HG2 ILE 20 -8.551 14.194 -4.305 120 HG23 ILE 20 3HG2 ILE 20 -10.143 13.482 -3.943 121 HD11 ILE 20 3HD1 ILE 20 -13.286 15.975 -5.311 122 HD12 ILE 20 1HD1 ILE 20 -11.728 16.510 -5.978 123 HD13 ILE 20 2HD1 ILE 20 -12.074 14.775 -5.785 124 H GLU 21 H GLU 21 -10.016 16.606 -0.036 125 HA GLU 21 HA GLU 21 -10.433 19.511 -0.642 126 HB3 GLU 21 2HB GLU 21 -11.597 19.409 1.658 127 HG3 GLU 21 2HG GLU 21 -13.009 17.809 -0.478 128 H GLY 22 H GLY 22 -9.850 21.003 1.110 129 HA2 GLY 22 1HA GLY 22 -8.646 21.821 2.825 130 HA3 GLY 22 2HA GLY 22 -8.653 20.147 3.415 131 H THR 23 H THR 23 -6.678 18.985 3.332 132 HA THR 23 HA THR 23 -4.780 19.573 1.271 133 HB THR 23 HB THR 23 -4.005 19.794 4.211 134 HG1 THR 23 1HG THR 23 -4.588 21.702 3.078 135 HG21 THR 23 3HG2 THR 23 -2.143 19.500 1.811 136 HG22 THR 23 1HG2 THR 23 -2.343 18.309 3.112 137 HG23 THR 23 2HG2 THR 23 -1.659 19.897 3.480 138 H HIS 24 H HIS 24 -4.459 17.576 0.352 139 HA HIS 24 HA HIS 24 -5.080 15.194 1.967 140 HB3 HIS 24 2HB HIS 24 -6.914 15.782 0.381 141 HD1 HIS 24 1HD HIS 24 -6.687 17.668 -1.636 142 HD2 HIS 24 2HD HIS 24 -4.671 14.016 -2.157 143 HE1 HIS 24 1HE HIS 24 -6.055 17.530 -4.092 144 H LYS 25 H LYS 25 -4.214 13.256 0.417 145 HA LYS 25 HA LYS 25 -1.403 13.765 -0.358 146 HB3 LYS 25 2HB LYS 25 -1.051 11.664 1.238 147 HG3 LYS 25 2HG LYS 25 -0.697 14.541 1.550 148 HD3 LYS 25 2HD LYS 25 -0.845 12.921 4.104 149 HE3 LYS 25 2HE LYS 25 -0.142 15.866 3.653 150 HZ1 LYS 25 3HZ LYS 25 0.872 15.664 5.783 151 HZ2 LYS 25 1HZ LYS 25 0.574 14.055 5.856 152 HZ3 LYS 25 2HZ LYS 25 -0.689 15.124 5.935 153 H LEU 26 H LEU 26 -0.689 12.396 -1.858 154 HA LEU 26 HA LEU 26 -2.468 10.199 -2.769 155 HB3 LEU 26 2HB LEU 26 -0.609 11.618 -4.671 156 HG LEU 26 HG LEU 26 -2.528 11.627 -6.194 157 HD11 LEU 26 1HD1 LEU 26 -1.026 9.628 -6.170 158 HD12 LEU 26 2HD1 LEU 26 -2.668 9.323 -6.754 159 HD13 LEU 26 3HD1 LEU 26 -2.220 8.810 -5.131 160 HD21 LEU 26 3HD2 LEU 26 -4.627 10.564 -5.726 161 HD22 LEU 26 1HD2 LEU 26 -4.324 11.786 -4.483 162 HD23 LEU 26 2HD2 LEU 26 -4.077 10.065 -4.119 163 H LEU 27 H LEU 27 -1.439 8.294 -3.380 164 HA LEU 27 HA LEU 27 1.493 8.034 -2.962 165 HB3 LEU 27 2HB LEU 27 0.557 5.520 -2.415 166 HG LEU 27 HG LEU 27 0.811 7.764 -0.428 167 HD11 LEU 27 1HD1 LEU 27 0.659 4.798 0.095 168 HD12 LEU 27 2HD1 LEU 27 -0.465 6.054 0.638 169 HD13 LEU 27 3HD1 LEU 27 1.195 5.991 1.262 170 HD21 LEU 27 3HD2 LEU 27 2.815 5.920 -1.654 171 HD22 LEU 27 1HD2 LEU 27 3.066 6.509 -0.005 172 HD23 LEU 27 2HD2 LEU 27 2.922 7.649 -1.328 173 H SER 28 H SER 28 2.467 6.362 -4.302 174 HA SER 28 HA SER 28 0.791 4.857 -6.096 175 HB3 SER 28 2HB SER 28 3.067 6.569 -7.184 176 HG SER 28 HG SER 28 3.148 5.000 -8.616 177 H PHE 29 H PHE 29 1.834 3.050 -6.743 178 HA PHE 29 HA PHE 29 4.557 2.342 -5.888 179 HB3 PHE 29 2HB PHE 29 3.824 0.317 -4.713 180 HD1 PHE 29 2HD PHE 29 5.144 2.106 -3.330 181 HD2 PHE 29 1HD PHE 29 0.865 1.976 -3.513 182 HE1 PHE 29 2HE PHE 29 5.013 3.479 -1.267 183 HE2 PHE 29 1HE PHE 29 0.729 3.284 -1.397 184 HZ PHE 29 HZ PHE 29 2.831 3.938 -0.213 185 H ASP 30 H ASP 30 5.398 1.284 -7.704 186 HA ASP 30 HA ASP 30 3.526 -0.180 -9.505 187 HB3 ASP 30 2HB ASP 30 5.765 -0.198 -10.857 188 H GLU 31 H GLU 31 4.354 -2.173 -10.480 189 HA GLU 31 HA GLU 31 5.145 -3.889 -8.270 190 HB3 GLU 31 2HB GLU 31 3.309 -4.569 -9.743 191 HG3 GLU 31 2HG GLU 31 5.384 -4.527 -11.942 192 H ASP 32 H ASP 32 6.758 -2.612 -11.081 193 HA ASP 32 HA ASP 32 9.165 -4.186 -10.271 194 HB3 ASP 32 2HB ASP 32 8.955 -3.835 -13.173 195 H GLY 33 H GLY 33 7.945 -1.293 -10.396 196 HA2 GLY 33 1HA GLY 33 10.368 0.130 -11.437 197 HA3 GLY 33 2HA GLY 33 8.735 0.809 -11.429 198 H THR 34 H THR 34 8.561 2.338 -9.860 199 HA THR 34 HA THR 34 9.593 1.972 -7.155 200 HB THR 34 HB THR 34 10.551 4.253 -7.218 201 HG1 THR 34 1HG THR 34 10.960 5.250 -9.131 202 HG21 THR 34 3HG2 THR 34 11.878 2.508 -9.328 203 HG22 THR 34 1HG2 THR 34 11.912 2.148 -7.607 204 HG23 THR 34 2HG2 THR 34 12.645 3.643 -8.211 205 H GLY 35 H GLY 35 8.698 4.371 -6.141 206 HA2 GLY 35 1HA GLY 35 5.946 4.844 -7.088 207 HA3 GLY 35 2HA GLY 35 6.162 4.098 -5.497 208 H SER 36 H SER 36 5.008 6.174 -5.032 209 HA SER 36 HA SER 36 6.861 8.406 -4.494 210 HB3 SER 36 2HB SER 36 6.728 8.670 -6.861 211 HG SER 36 HG SER 36 3.966 9.061 -6.844 212 H PHE 37 H PHE 37 6.057 10.180 -3.426 213 HA PHE 37 HA PHE 37 3.333 9.946 -2.209 214 HB3 PHE 37 2HB PHE 37 6.058 10.445 -0.966 215 HD1 PHE 37 2HD PHE 37 2.455 10.014 0.110 216 HD2 PHE 37 1HD PHE 37 6.327 11.670 0.949 217 HE1 PHE 37 2HE PHE 37 1.528 11.198 2.115 218 HE2 PHE 37 1HE PHE 37 5.445 12.761 2.970 219 HZ PHE 37 HZ PHE 37 3.028 12.553 3.553 220 H GLY 38 H GLY 38 2.202 11.796 -2.865 221 HA2 GLY 38 1HA GLY 38 3.701 14.377 -3.155 222 HA3 GLY 38 2HA GLY 38 2.556 13.831 -4.366 223 H ILE 39 H ILE 39 2.950 15.585 -1.547 224 HA ILE 39 HA ILE 39 0.232 15.408 -0.492 225 HB ILE 39 HB ILE 39 2.436 17.453 0.054 226 HG13 ILE 39 2HG1 ILE 39 3.191 15.141 0.578 227 HG21 ILE 39 1HG2 ILE 39 0.228 18.280 0.738 228 HG22 ILE 39 2HG2 ILE 39 -0.080 16.791 1.649 229 HG23 ILE 39 3HG2 ILE 39 1.195 17.926 2.154 230 HD11 ILE 39 3HD1 ILE 39 3.831 15.349 2.853 231 HD12 ILE 39 1HD1 ILE 39 3.930 16.962 2.113 232 HD13 ILE 39 2HD1 ILE 39 2.575 16.540 3.189 233 H TYR 40 H TYR 40 -1.454 16.914 -0.855 234 HA TYR 40 HA TYR 40 -0.962 19.144 -2.746 235 HB3 TYR 40 2HB TYR 40 -3.329 18.674 -3.555 236 HD1 TYR 40 2HD TYR 40 -1.560 15.398 -3.512 237 HD2 TYR 40 1HD TYR 40 -2.412 18.992 -5.746 238 HE1 TYR 40 2HE TYR 40 -0.633 14.344 -5.542 239 HE2 TYR 40 1HE TYR 40 -1.528 17.951 -7.785 240 HH TYR 40 HH TYR 40 -0.664 16.015 -8.737 241 H SER 41 H SER 41 -1.734 21.025 -1.930 242 HA SER 41 HA SER 41 -3.592 21.036 0.391 243 HB3 SER 41 2HB SER 41 -3.063 23.584 0.129 244 HG SER 41 HG SER 41 -2.417 22.150 1.862 245 H ASN 42 H ASN 42 -5.613 21.066 -0.210 246 HA ASN 42 HA ASN 42 -7.432 20.963 -1.427 247 HB3 ASN 42 2HB ASN 42 -6.951 23.632 -2.712 248 HD21 ASN 42 1HD2 ASN 42 -8.806 23.286 0.149 249 HD22 ASN 42 2HD2 ASN 42 -10.378 22.951 -0.539 250 H ALA 43 H ALA 43 -5.501 22.685 -3.870 251 HA ALA 43 HA ALA 43 -5.533 20.357 -5.671 252 HB1 ALA 43 1HB ALA 43 -7.620 21.567 -6.213 253 HB2 ALA 43 2HB ALA 43 -6.702 23.076 -6.428 254 HB3 ALA 43 3HB ALA 43 -6.466 21.711 -7.547 255 H THR 44 H THR 44 -3.537 22.146 -4.110 256 HA THR 44 HA THR 44 -1.752 22.818 -6.384 257 HB THR 44 HB THR 44 -1.718 23.892 -3.534 258 HG1 THR 44 1HG THR 44 -2.918 24.930 -5.875 259 HG21 THR 44 3HG2 THR 44 -0.495 25.024 -6.105 260 HG22 THR 44 1HG2 THR 44 0.417 24.002 -4.977 261 HG23 THR 44 2HG2 THR 44 -0.206 25.565 -4.438 262 HA PRO 45 HA PRO 45 0.493 19.315 -4.443 263 HB3 PRO 45 2HB PRO 45 1.025 18.507 -6.535 264 HG3 PRO 45 2HG PRO 45 1.204 19.945 -8.397 265 HD3 PRO 45 2HD PRO 45 -0.835 20.686 -7.516 266 H ILE 46 H ILE 46 1.736 19.701 -2.665 267 HA ILE 46 HA ILE 46 3.553 22.090 -2.662 268 HB ILE 46 HB ILE 46 2.248 20.981 -0.176 269 HG13 ILE 46 2HG1 ILE 46 0.614 22.742 -0.153 270 HG21 ILE 46 1HG2 ILE 46 4.107 22.367 0.414 271 HG22 ILE 46 2HG2 ILE 46 3.700 23.577 -0.819 272 HG23 ILE 46 3HG2 ILE 46 2.695 23.383 0.631 273 HD11 ILE 46 3HD1 ILE 46 1.496 23.489 -2.964 274 HD12 ILE 46 1HD1 ILE 46 0.029 24.054 -2.142 275 HD13 ILE 46 2HD1 ILE 46 1.615 24.514 -1.521 276 H SER 47 H SER 47 3.638 18.704 -2.765 277 HA SER 47 HA SER 47 6.407 18.826 -2.018 278 HB3 SER 47 2HB SER 47 4.565 16.960 -0.461 279 HG SER 47 HG SER 47 6.311 15.861 -0.296 280 H PHE 48 H PHE 48 7.381 16.793 -2.412 281 HA PHE 48 HA PHE 48 6.155 14.813 -4.110 282 HB3 PHE 48 2HB PHE 48 8.397 16.211 -5.550 283 HD1 PHE 48 1HD PHE 48 4.816 16.048 -6.499 284 HD2 PHE 48 2HD PHE 48 8.668 14.135 -6.869 285 HE1 PHE 48 1HE PHE 48 4.009 14.769 -8.450 286 HE2 PHE 48 2HE PHE 48 7.859 12.854 -8.809 287 HZ PHE 48 HZ PHE 48 5.530 13.165 -9.628 288 H GLN 49 H GLN 49 7.517 12.953 -4.074 289 HA GLN 49 HA GLN 49 10.301 13.034 -3.980 290 HB3 GLN 49 2HB GLN 49 10.390 13.370 -1.623 291 HG3 GLN 49 2HG GLN 49 8.013 11.494 -1.408 292 HE21 GLN 49 1HE2 GLN 49 10.136 10.291 -0.186 293 HE22 GLN 49 2HE2 GLN 49 9.899 10.396 1.524 294 H MET 50 H MET 50 11.079 10.813 -4.372 295 HA MET 50 HA MET 50 8.977 8.779 -4.792 296 HB3 MET 50 2HB MET 50 10.006 8.265 -6.978 297 HG3 MET 50 2HG MET 50 9.879 10.893 -7.420 298 HE1 MET 50 3HE MET 50 10.928 8.423 -9.032 299 HE2 MET 50 1HE MET 50 10.411 8.981 -10.632 300 HE3 MET 50 2HE MET 50 11.044 10.135 -9.424 301 H PHE 51 H PHE 51 9.885 6.603 -4.784 302 HA PHE 51 HA PHE 51 12.558 6.119 -3.865 303 HB3 PHE 51 2HB PHE 51 12.078 6.886 -1.765 304 HD1 PHE 51 2HD PHE 51 10.245 8.648 -1.938 305 HD2 PHE 51 1HD PHE 51 9.569 4.562 -0.817 306 HE1 PHE 51 2HE PHE 51 8.077 9.293 -0.934 307 HE2 PHE 51 1HE PHE 51 7.448 5.266 0.340 308 HZ PHE 51 HZ PHE 51 6.694 7.594 0.244 309 H ASP 52 H ASP 52 12.933 3.906 -3.548 310 HA ASP 52 HA ASP 52 11.259 2.000 -5.085 311 HB3 ASP 52 2HB ASP 52 13.233 0.504 -4.179 312 H TYR 53 H TYR 53 10.981 -0.203 -4.008 313 HA TYR 53 HA TYR 53 10.949 -0.213 -1.077 314 HB3 TYR 53 2HB TYR 53 8.795 -0.924 -0.792 315 HD1 TYR 53 1HD TYR 53 8.260 0.164 -4.316 316 HD2 TYR 53 2HD TYR 53 8.126 1.301 -0.169 317 HE1 TYR 53 1HE TYR 53 7.677 2.405 -4.963 318 HE2 TYR 53 2HE TYR 53 7.406 3.543 -0.797 319 HH TYR 53 HH TYR 53 8.292 4.681 -3.776 320 H LYS 54 H LYS 54 10.857 -2.405 -0.228 321 HA LYS 54 HA LYS 54 10.725 -4.606 -2.192 322 HB3 LYS 54 2HB LYS 54 12.436 -5.902 -1.037 323 HG3 LYS 54 2HG LYS 54 13.631 -3.160 -1.525 324 HD3 LYS 54 2HD LYS 54 15.226 -4.776 -2.894 325 HE3 LYS 54 2HE LYS 54 15.474 -4.327 0.103 326 HZ1 LYS 54 3HZ LYS 54 17.545 -4.799 -1.956 327 HZ2 LYS 54 1HZ LYS 54 17.094 -5.881 -0.845 328 HZ3 LYS 54 2HZ LYS 54 17.854 -4.522 -0.351 329 H ILE 55 H ILE 55 9.098 -6.021 -1.514 330 HA ILE 55 HA ILE 55 8.165 -5.864 1.302 331 HB ILE 55 HB ILE 55 7.141 -7.653 -0.919 332 HG13 ILE 55 2HG1 ILE 55 5.137 -6.169 -0.827 333 HG21 ILE 55 1HG2 ILE 55 6.107 -7.150 1.905 334 HG22 ILE 55 2HG2 ILE 55 5.221 -8.017 0.634 335 HG23 ILE 55 3HG2 ILE 55 6.736 -8.675 1.236 336 HD11 ILE 55 3HD1 ILE 55 5.200 -3.940 -0.064 337 HD12 ILE 55 1HD1 ILE 55 5.559 -4.963 1.336 338 HD13 ILE 55 2HD1 ILE 55 6.870 -4.094 0.494 339 H GLU 56 H GLU 56 9.565 -6.736 2.620 340 HA GLU 56 HA GLU 56 10.590 -9.473 2.159 341 HB3 GLU 56 2HB GLU 56 12.421 -7.135 2.675 342 HG3 GLU 56 2HG GLU 56 12.770 -10.036 2.676 343 H GLU 57 H GLU 57 8.758 -8.731 3.803 344 HA GLU 57 HA GLU 57 9.362 -10.157 6.042 345 HB3 GLU 57 2HB GLU 57 8.851 -8.018 7.773 346 HG3 GLU 57 2HG GLU 57 11.479 -7.910 7.938 347 H GLY 58 H GLY 58 7.202 -9.267 4.042 348 HA2 GLY 58 1HA GLY 58 4.800 -8.971 4.003 349 HA3 GLY 58 2HA GLY 58 4.797 -9.415 5.690 350 H ARG 59 H ARG 59 6.950 -6.867 4.638 351 HA ARG 59 HA ARG 59 5.177 -4.674 5.452 352 HB3 ARG 59 2HB ARG 59 7.209 -3.731 6.749 353 HG3 ARG 59 2HG ARG 59 5.971 -6.237 7.961 354 HD3 ARG 59 2HD ARG 59 7.459 -3.862 9.158 355 HE ARG 59 HE ARG 59 5.919 -4.206 10.800 356 HH11 ARG 59 1HH1 ARG 59 7.641 -7.241 10.662 357 HH12 ARG 59 2HH1 ARG 59 6.328 -8.155 11.356 358 HH21 ARG 59 1HH2 ARG 59 4.292 -5.356 11.798 359 HH22 ARG 59 2HH2 ARG 59 4.453 -7.075 12.112 360 H ILE 60 H ILE 60 6.163 -2.678 4.759 361 HA ILE 60 HA ILE 60 7.558 -2.944 2.161 362 HB ILE 60 HB ILE 60 6.417 -0.573 3.709 363 HG13 ILE 60 2HG1 ILE 60 4.693 -2.004 2.811 364 HG21 ILE 60 1HG2 ILE 60 8.378 0.079 2.262 365 HG22 ILE 60 2HG2 ILE 60 7.465 -0.586 0.876 366 HG23 ILE 60 3HG2 ILE 60 6.850 0.810 1.779 367 HD11 ILE 60 3HD1 ILE 60 3.421 -0.579 1.403 368 HD12 ILE 60 1HD1 ILE 60 4.371 0.492 2.459 369 HD13 ILE 60 2HD1 ILE 60 4.855 0.237 0.765 370 H TYR 61 H TYR 61 9.742 -2.542 1.959 371 HA TYR 61 HA TYR 61 11.302 -1.524 4.284 372 HB3 TYR 61 2HB TYR 61 12.055 -3.414 2.014 373 HD1 TYR 61 1HD TYR 61 13.311 -2.989 5.441 374 HD2 TYR 61 2HD TYR 61 14.202 -2.486 1.298 375 HE1 TYR 61 1HE TYR 61 15.713 -2.725 6.030 376 HE2 TYR 61 2HE TYR 61 16.623 -2.180 1.852 377 HH TYR 61 HH TYR 61 17.853 -2.350 5.217 378 H ILE 62 H ILE 62 11.988 0.515 3.917 379 HA ILE 62 HA ILE 62 12.084 1.598 1.128 380 HB ILE 62 HB ILE 62 12.231 3.070 3.810 381 HG13 ILE 62 2HG1 ILE 62 9.935 3.822 3.472 382 HG21 ILE 62 1HG2 ILE 62 13.247 4.377 2.042 383 HG22 ILE 62 2HG2 ILE 62 11.851 4.120 0.972 384 HG23 ILE 62 3HG2 ILE 62 11.702 5.088 2.454 385 HD11 ILE 62 3HD1 ILE 62 9.613 3.508 1.072 386 HD12 ILE 62 1HD1 ILE 62 9.759 1.748 1.268 387 HD13 ILE 62 2HD1 ILE 62 8.396 2.635 2.001 388 H TYR 63 H TYR 63 14.224 2.386 0.392 389 HA TYR 63 HA TYR 63 16.396 2.530 2.335 390 HB3 TYR 63 2HB TYR 63 16.227 0.113 1.980 391 HD1 TYR 63 2HD TYR 63 14.264 -0.294 0.233 392 HD2 TYR 63 1HD TYR 63 18.396 0.379 -0.879 393 HE1 TYR 63 2HE TYR 63 13.790 -1.090 -2.068 394 HE2 TYR 63 1HE TYR 63 17.934 -0.520 -3.117 395 HH TYR 63 HH TYR 63 16.081 -0.801 -4.630 396 H ASP 64 H ASP 64 15.065 3.840 -0.525 397 HA ASP 64 HA ASP 64 17.451 5.276 -0.992 398 HB3 ASP 64 2HB ASP 64 16.110 3.962 -3.396 399 H VAL 65 H VAL 65 16.648 7.258 -1.149 400 HA VAL 65 HA VAL 65 13.891 7.771 -2.014 401 HB VAL 65 HB VAL 65 15.081 9.035 0.493 402 HG11 VAL 65 1HG1 VAL 65 13.337 10.376 -0.596 403 HG12 VAL 65 2HG1 VAL 65 12.240 8.981 -0.605 404 HG13 VAL 65 3HG1 VAL 65 12.742 9.737 0.926 405 HG21 VAL 65 3HG2 VAL 65 14.737 6.700 1.098 406 HG22 VAL 65 1HG2 VAL 65 13.478 7.681 1.839 407 HG23 VAL 65 2HG2 VAL 65 13.108 6.720 0.392 408 H TYR 66 H TYR 66 13.591 9.859 -2.917 409 HA TYR 66 HA TYR 66 15.866 11.705 -3.095 410 HB3 TYR 66 2HB TYR 66 14.990 9.877 -5.229 411 HD1 TYR 66 1HD TYR 66 12.743 10.958 -5.899 412 HD2 TYR 66 2HD TYR 66 16.582 12.769 -6.551 413 HE1 TYR 66 1HE TYR 66 11.768 12.356 -7.708 414 HE2 TYR 66 2HE TYR 66 15.655 14.115 -8.403 415 HH TYR 66 HH TYR 66 12.185 14.255 -9.044 416 HA PRO 67 HA PRO 67 15.926 13.717 -4.454 417 HB3 PRO 67 2HB PRO 67 14.734 15.599 -5.203 418 HG3 PRO 67 2HG PRO 67 13.144 16.712 -3.720 419 HD3 PRO 67 2HD PRO 67 12.361 14.525 -4.141 420 H ASP 68 H ASP 68 14.764 13.643 -1.280 421 HA ASP 68 HA ASP 68 17.475 14.235 -0.111 422 HB3 ASP 68 2HB ASP 68 15.598 13.909 1.963 423 H GLU 69 H GLU 69 18.469 12.292 -0.201 424 HA GLU 69 HA GLU 69 17.351 9.691 0.134 425 HB3 GLU 69 2HB GLU 69 19.819 9.242 0.874 426 HG3 GLU 69 2HG GLU 69 19.002 10.438 -1.770 427 H LYS 70 H LYS 70 16.622 8.708 2.027 428 HA LYS 70 HA LYS 70 17.432 9.907 4.632 429 HB3 LYS 70 2HB LYS 70 15.227 9.514 5.502 430 HG3 LYS 70 2HG LYS 70 14.414 10.782 2.916 431 HD3 LYS 70 2HD LYS 70 13.224 10.865 5.216 432 HE3 LYS 70 2HE LYS 70 15.359 13.005 5.592 433 HZ1 LYS 70 3HZ LYS 70 14.273 13.363 7.678 434 HZ2 LYS 70 1HZ LYS 70 13.097 12.256 7.353 435 HZ3 LYS 70 2HZ LYS 70 13.214 13.671 6.477 436 H THR 71 H THR 71 17.213 8.393 6.432 437 HA THR 71 HA THR 71 18.755 6.085 5.975 438 HB THR 71 HB THR 71 18.392 7.613 8.011 439 HG1 THR 71 1HG THR 71 19.711 5.657 8.035 440 HG21 THR 71 3HG2 THR 71 15.953 7.229 8.200 441 HG22 THR 71 1HG2 THR 71 16.816 6.801 9.697 442 HG23 THR 71 2HG2 THR 71 16.271 5.531 8.604 443 HA PRO 72 HA PRO 72 15.615 3.140 4.782 444 HB3 PRO 72 2HB PRO 72 17.121 1.501 4.177 445 HG3 PRO 72 2HG PRO 72 19.310 1.597 5.053 446 HD3 PRO 72 2HD PRO 72 18.978 3.901 4.731 447 H TYR 73 H TYR 73 13.910 1.917 5.717 448 HA TYR 73 HA TYR 73 13.779 1.072 8.369 449 HB3 TYR 73 2HB TYR 73 13.281 3.248 9.172 450 HD1 TYR 73 2HD TYR 73 10.319 3.073 6.925 451 HD2 TYR 73 1HD TYR 73 13.929 5.174 7.897 452 HE1 TYR 73 2HE TYR 73 9.689 4.917 5.333 453 HE2 TYR 73 1HE TYR 73 13.337 6.986 6.346 454 HH TYR 73 HH TYR 73 10.568 6.806 4.125 455 H TYR 74 H TYR 74 11.925 -0.066 8.717 456 HA TYR 74 HA TYR 74 10.502 -0.990 6.297 457 HB3 TYR 74 2HB TYR 74 9.409 -2.571 8.042 458 HD1 TYR 74 1HD TYR 74 9.792 -3.911 6.021 459 HD2 TYR 74 2HD TYR 74 13.045 -2.885 8.657 460 HE1 TYR 74 1HE TYR 74 11.072 -5.811 5.134 461 HE2 TYR 74 2HE TYR 74 14.321 -4.877 7.820 462 HH TYR 74 HH TYR 74 12.858 -7.289 5.620 463 H LEU 75 H LEU 75 8.137 -0.995 6.438 464 HA LEU 75 HA LEU 75 6.970 0.959 8.370 465 HB3 LEU 75 2HB LEU 75 5.441 1.683 6.527 466 HG LEU 75 HG LEU 75 8.398 2.193 5.947 467 HD11 LEU 75 1HD1 LEU 75 7.013 2.639 4.003 468 HD12 LEU 75 2HD1 LEU 75 7.515 4.169 4.727 469 HD13 LEU 75 3HD1 LEU 75 5.863 3.564 4.990 470 HD21 LEU 75 3HD2 LEU 75 7.838 2.993 8.190 471 HD22 LEU 75 1HD2 LEU 75 6.326 3.708 7.600 472 HD23 LEU 75 2HD2 LEU 75 7.902 4.382 7.118 473 H ASP 76 H ASP 76 5.301 0.253 9.374 474 HA ASP 76 HA ASP 76 4.175 -2.415 8.834 475 HB3 ASP 76 2HB ASP 76 2.764 -1.570 10.907 476 H CYS 77 H CYS 77 2.549 -2.556 7.432 477 HA CYS 77 HA CYS 77 0.424 -0.596 7.384 478 HB3 CYS 77 2HB CYS 77 1.535 0.491 5.660 479 HG CYS 77 HG CYS 77 3.709 -1.098 5.849 480 H LYS 78 H LYS 78 -1.387 -1.436 6.372 481 HA LYS 78 HA LYS 78 -1.423 -4.424 6.289 482 HB3 LYS 78 2HB LYS 78 -3.477 -4.518 7.338 483 HG3 LYS 78 2HG LYS 78 -3.496 -3.161 9.398 484 HD3 LYS 78 2HD LYS 78 -1.314 -3.708 10.339 485 HE3 LYS 78 2HE LYS 78 -2.529 -5.878 8.600 486 HZ1 LYS 78 3HZ LYS 78 -1.223 -7.282 10.239 487 HZ2 LYS 78 1HZ LYS 78 -0.305 -5.943 10.506 488 HZ3 LYS 78 2HZ LYS 78 -0.375 -6.564 8.996 489 H ILE 79 H ILE 79 -3.161 -5.356 4.762 490 HA ILE 79 HA ILE 79 -4.444 -3.378 3.049 491 HB ILE 79 HB ILE 79 -2.009 -3.835 2.287 492 HG13 ILE 79 2HG1 ILE 79 -3.942 -2.786 1.021 493 HG21 ILE 79 1HG2 ILE 79 -1.573 -5.808 0.939 494 HG22 ILE 79 2HG2 ILE 79 -2.071 -6.322 2.553 495 HG23 ILE 79 3HG2 ILE 79 -3.209 -6.416 1.193 496 HD11 ILE 79 3HD1 ILE 79 -2.617 -2.626 -1.016 497 HD12 ILE 79 1HD1 ILE 79 -1.600 -2.503 0.418 498 HD13 ILE 79 2HD1 ILE 79 -1.615 -4.007 -0.507 499 H SER 80 H SER 80 -6.240 -4.270 1.932 500 HA SER 80 HA SER 80 -6.740 -7.214 2.272 501 HB3 SER 80 2HB SER 80 -9.158 -6.548 2.832 502 HG SER 80 HG SER 80 -8.137 -7.392 4.512 503 H GLY 81 H GLY 81 -6.836 -4.623 0.033 504 HA2 GLY 81 1HA GLY 81 -7.426 -5.984 -2.198 505 HA3 GLY 81 2HA GLY 81 -9.056 -5.733 -1.571 506 H THR 82 H THR 82 -9.783 -3.480 -1.208 507 HA THR 82 HA THR 82 -8.208 -1.463 -2.732 508 HB THR 82 HB THR 82 -10.470 -0.226 -2.662 509 HG1 THR 82 1HG THR 82 -12.090 -1.292 -1.835 510 HG21 THR 82 3HG2 THR 82 -11.236 -1.442 -4.683 511 HG22 THR 82 1HG2 THR 82 -10.157 -2.800 -4.288 512 HG23 THR 82 2HG2 THR 82 -9.484 -1.215 -4.707 513 H THR 83 H THR 83 -8.941 -2.416 0.536 514 HA THR 83 HA THR 83 -8.530 0.345 1.517 515 HB THR 83 HB THR 83 -8.820 -2.175 3.180 516 HG1 THR 83 1HG THR 83 -10.699 -2.283 2.380 517 HG21 THR 83 3HG2 THR 83 -8.048 0.079 4.194 518 HG22 THR 83 1HG2 THR 83 -9.434 -0.693 4.966 519 HG23 THR 83 2HG2 THR 83 -9.681 0.678 3.838 520 H LEU 84 H LEU 84 -6.423 0.925 1.230 521 HA LEU 84 HA LEU 84 -4.202 -0.780 2.275 522 HB3 LEU 84 2HB LEU 84 -4.345 2.004 1.118 523 HG LEU 84 HG LEU 84 -2.531 2.073 2.770 524 HD11 LEU 84 1HD1 LEU 84 -1.440 -0.351 1.285 525 HD12 LEU 84 2HD1 LEU 84 -1.924 -0.289 2.988 526 HD13 LEU 84 3HD1 LEU 84 -0.515 0.616 2.455 527 HD21 LEU 84 3HD2 LEU 84 -1.505 1.858 -0.093 528 HD22 LEU 84 1HD2 LEU 84 -0.703 2.702 1.245 529 HD23 LEU 84 2HD2 LEU 84 -2.253 3.291 0.637 530 H LYS 85 H LYS 85 -3.496 -0.462 4.397 531 HA LYS 85 HA LYS 85 -4.240 2.119 5.685 532 HB3 LYS 85 2HB LYS 85 -4.209 -0.616 7.043 533 HG3 LYS 85 2HG LYS 85 -4.629 2.221 8.055 534 HD3 LYS 85 2HD LYS 85 -5.308 -0.400 9.441 535 HE3 LYS 85 2HE LYS 85 -5.587 2.489 10.418 536 HZ1 LYS 85 3HZ LYS 85 -5.474 -0.082 11.844 537 HZ2 LYS 85 1HZ LYS 85 -6.872 0.799 11.618 538 HZ3 LYS 85 2HZ LYS 85 -5.613 1.382 12.538 539 H VAL 86 H VAL 86 -2.528 3.074 6.779 540 HA VAL 86 HA VAL 86 0.057 1.580 6.861 541 HB VAL 86 HB VAL 86 -0.243 4.528 6.233 542 HG11 VAL 86 1HG1 VAL 86 2.110 4.361 5.571 543 HG12 VAL 86 2HG1 VAL 86 1.918 3.739 7.213 544 HG13 VAL 86 3HG1 VAL 86 2.118 2.613 5.870 545 HG21 VAL 86 3HG2 VAL 86 0.373 3.950 3.880 546 HG22 VAL 86 1HG2 VAL 86 0.068 2.245 4.260 547 HG23 VAL 86 2HG2 VAL 86 -1.252 3.437 4.335 548 H GLU 87 H GLU 87 0.894 1.497 8.878 549 HA GLU 87 HA GLU 87 -0.650 2.823 11.008 550 HB3 GLU 87 2HB GLU 87 0.325 1.194 12.440 551 HG3 GLU 87 2HG GLU 87 -0.099 -0.297 9.812 552 H THR 88 H THR 88 2.495 3.206 9.523 553 HA THR 88 HA THR 88 3.288 5.299 11.377 554 HB THR 88 HB THR 88 3.950 3.264 12.519 555 HG1 THR 88 1HG THR 88 5.404 5.211 12.460 556 HG21 THR 88 3HG2 THR 88 5.644 1.745 11.642 557 HG22 THR 88 1HG2 THR 88 5.735 2.688 10.135 558 HG23 THR 88 2HG2 THR 88 4.253 1.797 10.545 559 H GLY 89 H GLY 89 5.576 6.145 10.533 560 HA2 GLY 89 1HA GLY 89 6.888 6.798 8.724 561 HA3 GLY 89 2HA GLY 89 5.868 5.867 7.643 562 H SER 90 H SER 90 6.426 8.128 6.684 563 HA SER 90 HA SER 90 4.904 10.393 7.511 564 HB3 SER 90 2HB SER 90 5.743 10.034 4.636 565 HG SER 90 HG SER 90 5.557 12.113 6.582 566 H GLU 91 H GLU 91 4.036 7.571 5.687 567 HA GLU 91 HA GLU 91 1.631 8.932 4.623 568 HB3 GLU 91 2HB GLU 91 1.289 6.982 3.240 569 HG3 GLU 91 2HG GLU 91 3.235 8.942 2.964 570 H ALA 92 H ALA 92 2.157 7.651 7.464 571 HA ALA 92 HA ALA 92 0.407 5.626 8.068 572 HB1 ALA 92 1HB ALA 92 0.946 8.064 9.792 573 HB2 ALA 92 2HB ALA 92 0.320 6.494 10.349 574 HB3 ALA 92 3HB ALA 92 1.953 6.613 9.683 575 H GLY 93 H GLY 93 -1.625 5.449 7.249 576 HA2 GLY 93 1HA GLY 93 -3.721 7.472 7.485 577 HA3 GLY 93 2HA GLY 93 -2.911 7.427 5.924 578 H THR 94 H THR 94 -5.268 6.965 5.417 579 HA THR 94 HA THR 94 -5.869 4.047 5.389 580 HB THR 94 HB THR 94 -8.228 4.691 6.014 581 HG1 THR 94 1HG THR 94 -7.984 6.929 5.601 582 HG21 THR 94 3HG2 THR 94 -7.844 4.760 8.395 583 HG22 THR 94 1HG2 THR 94 -6.193 5.380 8.179 584 HG23 THR 94 2HG2 THR 94 -6.608 3.724 7.673 585 H TYR 95 H TYR 95 -5.749 3.690 3.198 586 HA TYR 95 HA TYR 95 -6.819 5.831 1.417 587 HB3 TYR 95 2HB TYR 95 -5.184 5.296 -0.165 588 HD1 TYR 95 1HD TYR 95 -3.388 4.363 2.969 589 HD2 TYR 95 2HD TYR 95 -4.278 7.509 0.150 590 HE1 TYR 95 1HE TYR 95 -1.746 5.815 4.070 591 HE2 TYR 95 2HE TYR 95 -2.664 8.986 1.275 592 HH TYR 95 HH TYR 95 -0.817 7.875 4.161 593 H LYS 96 H LYS 96 -7.916 5.193 -0.532 594 HA LYS 96 HA LYS 96 -9.102 2.483 -0.284 595 HB3 LYS 96 2HB LYS 96 -11.141 3.983 -1.309 596 HG3 LYS 96 2HG LYS 96 -12.060 4.181 0.912 597 HD3 LYS 96 2HD LYS 96 -10.513 1.588 1.098 598 HE3 LYS 96 2HE LYS 96 -13.469 2.282 1.370 599 HZ1 LYS 96 3HZ LYS 96 -12.063 -0.244 1.996 600 HZ2 LYS 96 1HZ LYS 96 -13.062 0.004 0.689 601 HZ3 LYS 96 2HZ LYS 96 -13.657 0.070 2.223 602 H LYS 97 H LYS 97 -6.950 3.419 -2.109 603 HA LYS 97 HA LYS 97 -6.042 2.861 -4.074 604 HB3 LYS 97 2HB LYS 97 -8.434 1.177 -4.596 605 HG3 LYS 97 2HG LYS 97 -5.411 0.963 -5.045 606 HD3 LYS 97 2HD LYS 97 -7.489 -0.904 -6.231 607 HE3 LYS 97 2HE LYS 97 -4.460 -1.065 -5.916 608 HZ1 LYS 97 3HZ LYS 97 -6.260 -2.299 -7.939 609 HZ2 LYS 97 1HZ LYS 97 -5.658 -3.121 -6.672 610 HZ3 LYS 97 2HZ LYS 97 -4.642 -2.523 -7.834 611 H GLN 98 H GLN 98 -5.895 3.635 -6.116 612 HA GLN 98 HA GLN 98 -8.175 4.991 -7.441 613 HB3 GLN 98 2HB GLN 98 -6.680 6.849 -7.999 614 HG3 GLN 98 2HG GLN 98 -6.223 7.825 -5.740 615 HE21 GLN 98 1HE2 GLN 98 -9.181 5.923 -5.169 616 HE22 GLN 98 2HE2 GLN 98 -10.259 7.201 -5.729 617 H LYS 99 H LYS 99 -7.554 2.527 -7.890 618 HA LYS 99 HA LYS 99 -6.835 2.548 -10.653 619 HB3 LYS 99 2HB LYS 99 -5.504 0.238 -9.292 620 HG3 LYS 99 2HG LYS 99 -3.656 0.852 -10.863 621 HD3 LYS 99 2HD LYS 99 -6.383 0.732 -12.227 622 HE3 LYS 99 2HE LYS 99 -3.553 0.191 -13.215 623 HZ1 LYS 99 3HZ LYS 99 -5.190 -1.224 -14.247 624 HZ2 LYS 99 1HZ LYS 99 -4.560 -0.144 -15.295 625 HZ3 LYS 99 2HZ LYS 99 -6.094 0.085 -14.738 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -12.842 -10.380 10.712 2 HA2 GLY 1 1HA GLY 1 -13.792 -8.792 12.344 3 HA3 GLY 1 2HA GLY 1 -12.562 -9.371 13.482 4 H GLU 2 H GLU 2 -10.808 -8.034 13.671 5 HA GLU 2 HA GLU 2 -9.978 -6.088 11.658 6 HB3 GLU 2 2HB GLU 2 -7.915 -6.119 13.300 7 HG3 GLU 2 2HG GLU 2 -9.053 -4.689 14.923 8 H ASP 3 H ASP 3 -10.014 -7.533 9.992 9 HA ASP 3 HA ASP 3 -7.908 -9.606 9.801 10 HB3 ASP 3 2HB ASP 3 -10.861 -9.736 9.096 11 H TRP 4 H TRP 4 -6.700 -9.061 8.296 12 HA TRP 4 HA TRP 4 -7.487 -7.649 5.800 13 HB3 TRP 4 2HB TRP 4 -5.331 -6.439 6.163 14 HD1 TRP 4 HD TRP 4 -7.139 -6.198 9.596 15 HE1 TRP 4 1HE TRP 4 -8.236 -3.900 9.755 16 HE3 TRP 4 3HE TRP 4 -6.068 -4.617 4.997 17 HZ2 TRP 4 2HZ TRP 4 -8.581 -1.490 7.895 18 HZ3 TRP 4 3HZ TRP 4 -6.533 -2.285 4.224 19 HH2 TRP 4 HH TRP 4 -7.816 -0.759 5.738 20 H THR 5 H THR 5 -5.856 -8.068 4.043 21 HA THR 5 HA THR 5 -4.811 -10.782 4.196 22 HB THR 5 HB THR 5 -4.020 -10.083 1.802 23 HG1 THR 5 1HG THR 5 -4.736 -7.735 2.455 24 HG21 THR 5 3HG2 THR 5 -6.988 -10.168 2.497 25 HG22 THR 5 1HG2 THR 5 -5.921 -11.582 2.302 26 HG23 THR 5 2HG2 THR 5 -6.248 -10.526 0.925 27 H GLU 6 H GLU 6 -2.643 -11.180 3.312 28 HA GLU 6 HA GLU 6 -0.440 -9.992 4.679 29 HB3 GLU 6 2HB GLU 6 0.767 -11.071 2.581 30 HG3 GLU 6 2HG GLU 6 -0.712 -12.570 4.737 31 H LEU 7 H LEU 7 0.917 -8.449 4.040 32 HA LEU 7 HA LEU 7 0.294 -6.730 1.717 33 HB3 LEU 7 2HB LEU 7 2.731 -6.603 3.493 34 HG LEU 7 HG LEU 7 2.366 -4.951 1.569 35 HD11 LEU 7 1HD1 LEU 7 0.827 -3.078 2.023 36 HD12 LEU 7 2HD1 LEU 7 0.333 -3.806 3.574 37 HD13 LEU 7 3HD1 LEU 7 -0.100 -4.574 2.032 38 HD21 LEU 7 3HD2 LEU 7 2.581 -3.939 4.423 39 HD22 LEU 7 1HD2 LEU 7 3.110 -3.058 2.959 40 HD23 LEU 7 2HD2 LEU 7 3.925 -4.561 3.408 41 H ASN 8 H ASN 8 1.122 -7.322 -0.258 42 HA ASN 8 HA ASN 8 3.684 -8.844 -0.384 43 HB3 ASN 8 2HB ASN 8 2.751 -10.090 -2.284 44 HD21 ASN 8 1HD2 ASN 8 -0.270 -10.631 -1.062 45 HD22 ASN 8 2HD2 ASN 8 0.143 -11.828 0.119 46 H SER 9 H SER 9 4.563 -8.728 -2.717 47 HA SER 9 HA SER 9 4.845 -6.057 -3.570 48 HB3 SER 9 2HB SER 9 5.509 -7.716 -5.725 49 HG SER 9 HG SER 9 7.286 -6.771 -5.382 50 H ASN 10 H ASN 10 2.124 -8.135 -4.115 51 HA ASN 10 HA ASN 10 1.709 -6.970 -6.828 52 HB3 ASN 10 2HB ASN 10 0.118 -9.215 -5.626 53 HD21 ASN 10 1HD2 ASN 10 2.223 -8.924 -8.421 54 HD22 ASN 10 2HD2 ASN 10 1.003 -8.713 -9.674 55 H ASN 11 H ASN 11 0.159 -7.056 -3.621 56 HA ASN 11 HA ASN 11 -2.287 -5.904 -4.740 57 HB3 ASN 11 2HB ASN 11 -2.853 -7.452 -3.205 58 HD21 ASN 11 1HD2 ASN 11 -3.155 -8.063 -0.768 59 HD22 ASN 11 2HD2 ASN 11 -1.658 -8.298 0.099 60 H ILE 12 H ILE 12 0.582 -4.613 -2.973 61 HA ILE 12 HA ILE 12 -0.676 -2.144 -2.383 62 HB ILE 12 HB ILE 12 1.433 -2.884 -1.355 63 HG13 ILE 12 2HG1 ILE 12 1.629 -0.160 -2.652 64 HG21 ILE 12 1HG2 ILE 12 3.558 -2.735 -2.388 65 HG22 ILE 12 2HG2 ILE 12 2.576 -3.747 -3.447 66 HG23 ILE 12 3HG2 ILE 12 2.893 -2.040 -3.865 67 HD11 ILE 12 3HD1 ILE 12 0.642 -1.049 0.103 68 HD12 ILE 12 1HD1 ILE 12 0.919 0.630 -0.406 69 HD13 ILE 12 2HD1 ILE 12 -0.365 -0.317 -1.178 70 H ILE 13 H ILE 13 0.567 -3.385 -5.396 71 HA ILE 13 HA ILE 13 1.395 -1.182 -6.747 72 HB ILE 13 HB ILE 13 -0.171 -3.499 -7.933 73 HG13 ILE 13 2HG1 ILE 13 2.122 -4.539 -8.291 74 HG21 ILE 13 1HG2 ILE 13 1.254 -3.158 -9.945 75 HG22 ILE 13 2HG2 ILE 13 0.200 -1.789 -9.609 76 HG23 ILE 13 3HG2 ILE 13 1.930 -1.689 -9.197 77 HD11 ILE 13 3HD1 ILE 13 3.356 -2.348 -7.465 78 HD12 ILE 13 1HD1 ILE 13 2.942 -2.972 -5.855 79 HD13 ILE 13 2HD1 ILE 13 3.929 -3.940 -6.917 80 H GLY 14 H GLY 14 0.493 0.693 -7.350 81 HA2 GLY 14 1HA GLY 14 -1.396 1.416 -8.942 82 HA3 GLY 14 2HA GLY 14 -2.469 0.878 -7.643 83 H TYR 15 H TYR 15 -2.874 3.334 -8.248 84 HA TYR 15 HA TYR 15 -1.287 5.206 -6.643 85 HB3 TYR 15 2HB TYR 15 -3.329 6.675 -7.351 86 HD1 TYR 15 1HD TYR 15 -0.950 4.663 -9.574 87 HD2 TYR 15 2HD TYR 15 -2.601 8.499 -8.498 88 HE1 TYR 15 1HE TYR 15 0.563 5.769 -11.176 89 HE2 TYR 15 2HE TYR 15 -0.991 9.618 -10.019 90 HH TYR 15 HH TYR 15 1.057 7.822 -12.303 91 H TRP 16 H TRP 16 -2.349 6.452 -4.872 92 HA TRP 16 HA TRP 16 -4.718 5.180 -3.592 93 HB3 TRP 16 2HB TRP 16 -3.598 5.048 -1.433 94 HD1 TRP 16 HD TRP 16 -0.793 3.680 -3.706 95 HE1 TRP 16 1HE TRP 16 -0.868 1.130 -3.665 96 HE3 TRP 16 3HE TRP 16 -5.155 3.016 -1.094 97 HZ2 TRP 16 2HZ TRP 16 -2.507 -0.915 -2.535 98 HZ3 TRP 16 3HZ TRP 16 -6.036 0.657 -0.723 99 HH2 TRP 16 HH TRP 16 -4.778 -1.235 -1.449 100 H SER 17 H SER 17 -5.884 6.729 -2.313 101 HA SER 17 HA SER 17 -4.545 9.292 -1.689 102 HB3 SER 17 2HB SER 17 -7.312 9.211 -2.946 103 HG SER 17 HG SER 17 -6.581 11.503 -3.213 104 H THR 18 H THR 18 -5.886 10.556 -0.221 105 HA THR 18 HA THR 18 -7.577 8.953 1.643 106 HB THR 18 HB THR 18 -5.330 9.342 2.529 107 HG1 THR 18 1HG THR 18 -6.733 9.145 4.043 108 HG21 THR 18 3HG2 THR 18 -4.515 11.519 3.206 109 HG22 THR 18 1HG2 THR 18 -5.942 12.313 2.510 110 HG23 THR 18 2HG2 THR 18 -4.755 11.493 1.457 111 H GLY 19 H GLY 19 -7.603 11.609 -0.595 112 HA2 GLY 19 1HA GLY 19 -10.203 12.363 0.090 113 HA3 GLY 19 2HA GLY 19 -9.099 13.487 0.912 114 H ILE 20 H ILE 20 -10.664 14.641 -0.834 115 HA ILE 20 HA ILE 20 -9.054 15.162 -3.282 116 HB ILE 20 HB ILE 20 -11.172 15.278 -4.528 117 HG13 ILE 20 2HG1 ILE 20 -12.678 15.809 -2.580 118 HG21 ILE 20 1HG2 ILE 20 -11.525 12.891 -4.760 119 HG22 ILE 20 2HG2 ILE 20 -9.819 13.189 -4.467 120 HG23 ILE 20 3HG2 ILE 20 -10.854 12.567 -3.160 121 HD11 ILE 20 3HD1 ILE 20 -14.624 14.606 -3.282 122 HD12 ILE 20 1HD1 ILE 20 -13.662 14.958 -4.732 123 HD13 ILE 20 2HD1 ILE 20 -13.659 13.323 -4.022 124 H GLU 21 H GLU 21 -9.456 16.522 -0.536 125 HA GLU 21 HA GLU 21 -10.294 19.206 -1.372 126 HB3 GLU 21 2HB GLU 21 -12.397 18.068 -0.774 127 HG3 GLU 21 2HG GLU 21 -10.806 17.192 1.640 128 H GLY 22 H GLY 22 -10.304 20.524 0.881 129 HA2 GLY 22 1HA GLY 22 -9.157 21.437 2.584 130 HA3 GLY 22 2HA GLY 22 -9.151 19.765 3.165 131 H THR 23 H THR 23 -7.197 18.628 3.266 132 HA THR 23 HA THR 23 -4.981 19.400 1.583 133 HB THR 23 HB THR 23 -4.648 19.391 4.625 134 HG1 THR 23 1HG THR 23 -5.489 21.300 3.011 135 HG21 THR 23 3HG2 THR 23 -2.693 20.117 2.387 136 HG22 THR 23 1HG2 THR 23 -2.620 18.659 3.390 137 HG23 THR 23 2HG2 THR 23 -2.380 20.245 4.134 138 H HIS 24 H HIS 24 -4.111 17.379 0.933 139 HA HIS 24 HA HIS 24 -4.608 14.983 2.558 140 HB3 HIS 24 2HB HIS 24 -6.655 15.184 1.261 141 HD1 HIS 24 1HD HIS 24 -7.038 17.226 -0.475 142 HD2 HIS 24 2HD HIS 24 -4.622 14.024 -1.789 143 HE1 HIS 24 1HE HIS 24 -6.773 17.478 -3.017 144 H LYS 25 H LYS 25 -3.760 13.068 0.791 145 HA LYS 25 HA LYS 25 -1.140 13.916 -0.263 146 HB3 LYS 25 2HB LYS 25 -0.111 11.959 0.791 147 HG3 LYS 25 2HG LYS 25 -0.729 14.330 2.288 148 HD3 LYS 25 2HD LYS 25 -0.493 11.789 3.955 149 HE3 LYS 25 2HE LYS 25 -0.446 14.751 4.629 150 HZ1 LYS 25 3HZ LYS 25 -0.648 14.113 6.920 151 HZ2 LYS 25 1HZ LYS 25 -0.898 12.526 6.531 152 HZ3 LYS 25 2HZ LYS 25 -1.984 13.685 6.076 153 H LEU 26 H LEU 26 -0.179 12.104 -1.558 154 HA LEU 26 HA LEU 26 -2.158 10.262 -2.745 155 HB3 LEU 26 2HB LEU 26 -0.416 11.910 -4.590 156 HG LEU 26 HG LEU 26 -2.279 11.893 -6.090 157 HD11 LEU 26 1HD1 LEU 26 -2.040 9.062 -5.089 158 HD12 LEU 26 2HD1 LEU 26 -0.876 9.882 -6.160 159 HD13 LEU 26 3HD1 LEU 26 -2.554 9.615 -6.669 160 HD21 LEU 26 3HD2 LEU 26 -4.096 12.153 -4.475 161 HD22 LEU 26 1HD2 LEU 26 -3.894 10.468 -3.973 162 HD23 LEU 26 2HD2 LEU 26 -4.433 10.848 -5.627 163 H LEU 27 H LEU 27 -1.156 8.331 -3.374 164 HA LEU 27 HA LEU 27 1.819 8.243 -3.375 165 HB3 LEU 27 2HB LEU 27 1.551 5.822 -2.599 166 HG LEU 27 HG LEU 27 0.957 8.148 -0.798 167 HD11 LEU 27 1HD1 LEU 27 1.178 5.281 0.157 168 HD12 LEU 27 2HD1 LEU 27 -0.306 6.251 0.176 169 HD13 LEU 27 3HD1 LEU 27 1.090 6.737 1.143 170 HD21 LEU 27 3HD2 LEU 27 3.273 6.182 -0.924 171 HD22 LEU 27 1HD2 LEU 27 3.140 7.574 0.161 172 HD23 LEU 27 2HD2 LEU 27 3.256 7.822 -1.569 173 H SER 28 H SER 28 2.673 6.532 -4.701 174 HA SER 28 HA SER 28 0.870 4.936 -6.314 175 HB3 SER 28 2HB SER 28 3.110 6.634 -7.509 176 HG SER 28 HG SER 28 3.351 4.761 -8.535 177 H PHE 29 H PHE 29 1.896 3.020 -6.843 178 HA PHE 29 HA PHE 29 4.663 2.471 -6.017 179 HB3 PHE 29 2HB PHE 29 4.012 0.376 -4.837 180 HD1 PHE 29 2HD PHE 29 5.676 1.911 -3.590 181 HD2 PHE 29 1HD PHE 29 1.398 2.394 -3.324 182 HE1 PHE 29 2HE PHE 29 5.949 3.239 -1.535 183 HE2 PHE 29 1HE PHE 29 1.684 3.732 -1.253 184 HZ PHE 29 HZ PHE 29 3.973 4.105 -0.313 185 H ASP 30 H ASP 30 5.600 1.304 -7.655 186 HA ASP 30 HA ASP 30 3.862 -0.043 -9.634 187 HB3 ASP 30 2HB ASP 30 6.190 -0.086 -10.807 188 H GLU 31 H GLU 31 4.408 -2.104 -10.359 189 HA GLU 31 HA GLU 31 5.307 -3.956 -8.384 190 HB3 GLU 31 2HB GLU 31 4.764 -4.296 -11.361 191 HG3 GLU 31 2HG GLU 31 4.289 -6.199 -9.039 192 H ASP 32 H ASP 32 6.742 -2.477 -11.224 193 HA ASP 32 HA ASP 32 9.311 -3.866 -10.643 194 HB3 ASP 32 2HB ASP 32 8.653 -3.373 -13.494 195 H GLY 33 H GLY 33 8.218 -1.157 -10.037 196 HA2 GLY 33 1HA GLY 33 10.383 0.489 -11.304 197 HA3 GLY 33 2HA GLY 33 8.727 1.090 -11.194 198 H THR 34 H THR 34 8.685 2.604 -9.609 199 HA THR 34 HA THR 34 9.973 2.121 -6.992 200 HB THR 34 HB THR 34 10.221 4.675 -7.044 201 HG1 THR 34 1HG THR 34 10.206 4.486 -9.848 202 HG21 THR 34 3HG2 THR 34 12.157 3.231 -7.328 203 HG22 THR 34 1HG2 THR 34 12.270 4.650 -8.376 204 HG23 THR 34 2HG2 THR 34 11.842 3.075 -9.064 205 H GLY 35 H GLY 35 8.858 4.068 -5.522 206 HA2 GLY 35 1HA GLY 35 5.966 4.244 -6.159 207 HA3 GLY 35 2HA GLY 35 6.526 4.051 -4.495 208 H SER 36 H SER 36 5.081 6.216 -5.096 209 HA SER 36 HA SER 36 7.047 8.432 -4.810 210 HB3 SER 36 2HB SER 36 6.251 9.786 -6.463 211 HG SER 36 HG SER 36 6.712 7.716 -7.645 212 H PHE 37 H PHE 37 6.163 10.244 -3.598 213 HA PHE 37 HA PHE 37 3.491 9.877 -2.362 214 HB3 PHE 37 2HB PHE 37 6.125 10.257 -0.907 215 HD1 PHE 37 1HD PHE 37 2.379 10.188 -0.264 216 HD2 PHE 37 2HD PHE 37 6.323 10.992 1.286 217 HE1 PHE 37 1HE PHE 37 1.426 11.019 1.851 218 HE2 PHE 37 2HE PHE 37 5.352 11.934 3.324 219 HZ PHE 37 HZ PHE 37 2.867 11.969 3.625 220 H GLY 38 H GLY 38 2.389 11.784 -2.657 221 HA2 GLY 38 1HA GLY 38 3.949 14.316 -2.643 222 HA3 GLY 38 2HA GLY 38 2.668 14.022 -3.820 223 H ILE 39 H ILE 39 2.574 16.142 -2.086 224 HA ILE 39 HA ILE 39 0.293 15.473 -0.296 225 HB ILE 39 HB ILE 39 2.417 17.523 0.337 226 HG13 ILE 39 2HG1 ILE 39 3.442 15.286 0.506 227 HG21 ILE 39 1HG2 ILE 39 1.341 17.681 2.514 228 HG22 ILE 39 2HG2 ILE 39 0.169 17.996 1.259 229 HG23 ILE 39 3HG2 ILE 39 0.184 16.408 2.062 230 HD11 ILE 39 3HD1 ILE 39 3.969 17.010 2.301 231 HD12 ILE 39 1HD1 ILE 39 2.845 16.097 3.347 232 HD13 ILE 39 2HD1 ILE 39 4.283 15.306 2.675 233 H TYR 40 H TYR 40 -1.352 17.019 -0.347 234 HA TYR 40 HA TYR 40 -1.209 18.969 -2.573 235 HB3 TYR 40 2HB TYR 40 -3.553 18.044 -3.093 236 HD1 TYR 40 1HD TYR 40 -1.020 15.253 -2.732 237 HD2 TYR 40 2HD TYR 40 -2.993 18.045 -5.365 238 HE1 TYR 40 1HE TYR 40 0.065 14.186 -4.690 239 HE2 TYR 40 2HE TYR 40 -2.003 16.934 -7.308 240 HH TYR 40 HH TYR 40 -0.368 15.337 -8.025 241 H SER 41 H SER 41 -2.106 20.836 -2.058 242 HA SER 41 HA SER 41 -3.733 21.259 0.411 243 HB3 SER 41 2HB SER 41 -3.542 23.673 -0.558 244 HG SER 41 HG SER 41 -1.304 23.834 0.054 245 H ASN 42 H ASN 42 -5.925 21.184 0.047 246 HA ASN 42 HA ASN 42 -7.836 20.768 -0.910 247 HB3 ASN 42 2HB ASN 42 -8.106 23.078 -2.595 248 HD21 ASN 42 1HD2 ASN 42 -10.173 21.816 -2.160 249 HD22 ASN 42 2HD2 ASN 42 -10.992 22.155 -0.624 250 H ALA 43 H ALA 43 -6.380 22.215 -3.830 251 HA ALA 43 HA ALA 43 -6.308 19.699 -5.176 252 HB1 ALA 43 1HB ALA 43 -8.657 20.219 -5.719 253 HB2 ALA 43 2HB ALA 43 -8.180 21.842 -6.277 254 HB3 ALA 43 3HB ALA 43 -7.637 20.391 -7.152 255 H THR 44 H THR 44 -4.200 20.914 -4.443 256 HA THR 44 HA THR 44 -2.990 21.747 -6.975 257 HB THR 44 HB THR 44 -2.672 23.303 -4.354 258 HG1 THR 44 1HG THR 44 -4.505 23.469 -6.154 259 HG21 THR 44 3HG2 THR 44 -1.327 24.876 -5.711 260 HG22 THR 44 1HG2 THR 44 -1.499 23.834 -7.138 261 HG23 THR 44 2HG2 THR 44 -0.570 23.281 -5.729 262 HA PRO 45 HA PRO 45 -0.094 18.810 -4.944 263 HB3 PRO 45 2HB PRO 45 0.334 17.929 -7.053 264 HG3 PRO 45 2HG PRO 45 0.240 19.246 -8.987 265 HD3 PRO 45 2HD PRO 45 -1.796 19.795 -7.978 266 H ILE 46 H ILE 46 1.477 19.280 -3.459 267 HA ILE 46 HA ILE 46 2.960 21.871 -3.684 268 HB ILE 46 HB ILE 46 1.653 20.613 -1.249 269 HG13 ILE 46 2HG1 ILE 46 0.087 22.417 -1.211 270 HG21 ILE 46 1HG2 ILE 46 3.186 23.228 -1.531 271 HG22 ILE 46 2HG2 ILE 46 2.120 22.843 -0.161 272 HG23 ILE 46 3HG2 ILE 46 3.550 21.852 -0.464 273 HD11 ILE 46 3HD1 ILE 46 1.160 23.345 -3.904 274 HD12 ILE 46 1HD1 ILE 46 -0.354 23.861 -3.147 275 HD13 ILE 46 2HD1 ILE 46 1.204 24.260 -2.391 276 H SER 47 H SER 47 3.210 18.403 -3.002 277 HA SER 47 HA SER 47 6.075 18.784 -2.345 278 HB3 SER 47 2HB SER 47 5.935 17.354 -0.407 279 HG SER 47 HG SER 47 5.234 18.925 0.748 280 H PHE 48 H PHE 48 7.286 16.767 -2.639 281 HA PHE 48 HA PHE 48 6.088 14.659 -4.242 282 HB3 PHE 48 2HB PHE 48 8.311 16.136 -5.633 283 HD1 PHE 48 1HD PHE 48 4.709 15.545 -6.338 284 HD2 PHE 48 2HD PHE 48 8.751 14.475 -7.339 285 HE1 PHE 48 1HE PHE 48 3.899 14.351 -8.394 286 HE2 PHE 48 2HE PHE 48 7.958 13.210 -9.297 287 HZ PHE 48 HZ PHE 48 5.503 13.202 -9.849 288 H GLN 49 H GLN 49 7.439 12.833 -4.239 289 HA GLN 49 HA GLN 49 10.257 12.981 -4.026 290 HB3 GLN 49 2HB GLN 49 9.948 13.097 -1.610 291 HG3 GLN 49 2HG GLN 49 8.044 10.754 -1.951 292 HE21 GLN 49 1HE2 GLN 49 8.980 9.210 -0.469 293 HE22 GLN 49 2HE2 GLN 49 8.854 9.554 1.226 294 H MET 50 H MET 50 11.119 10.730 -4.366 295 HA MET 50 HA MET 50 9.171 8.698 -5.201 296 HB3 MET 50 2HB MET 50 10.372 8.272 -7.289 297 HG3 MET 50 2HG MET 50 9.884 10.897 -7.345 298 HE1 MET 50 3HE MET 50 11.707 10.157 -10.739 299 HE2 MET 50 1HE MET 50 11.689 11.184 -9.290 300 HE3 MET 50 2HE MET 50 12.041 9.435 -9.159 301 H PHE 51 H PHE 51 10.098 6.539 -4.908 302 HA PHE 51 HA PHE 51 12.720 6.299 -3.709 303 HB3 PHE 51 2HB PHE 51 11.729 7.153 -1.754 304 HD1 PHE 51 2HD PHE 51 9.461 8.246 -2.519 305 HD2 PHE 51 1HD PHE 51 9.865 4.350 -0.746 306 HE1 PHE 51 2HE PHE 51 7.092 8.307 -1.859 307 HE2 PHE 51 1HE PHE 51 7.469 4.458 -0.013 308 HZ PHE 51 HZ PHE 51 6.083 6.424 -0.581 309 H ASP 52 H ASP 52 13.369 4.189 -3.609 310 HA ASP 52 HA ASP 52 11.785 2.171 -5.096 311 HB3 ASP 52 2HB ASP 52 13.826 0.737 -4.419 312 H TYR 53 H TYR 53 11.320 0.057 -3.997 313 HA TYR 53 HA TYR 53 11.493 0.002 -1.115 314 HB3 TYR 53 2HB TYR 53 9.345 1.266 -1.563 315 HD1 TYR 53 1HD TYR 53 8.798 1.116 -4.128 316 HD2 TYR 53 2HD TYR 53 7.712 -1.919 -1.292 317 HE1 TYR 53 1HE TYR 53 7.151 0.221 -5.751 318 HE2 TYR 53 2HE TYR 53 6.021 -2.808 -2.903 319 HH TYR 53 HH TYR 53 5.734 -1.643 -6.214 320 H LYS 54 H LYS 54 10.775 -2.148 -0.299 321 HA LYS 54 HA LYS 54 10.182 -4.197 -2.332 322 HB3 LYS 54 2HB LYS 54 11.560 -5.873 -1.032 323 HG3 LYS 54 2HG LYS 54 13.859 -5.095 -1.648 324 HD3 LYS 54 2HD LYS 54 11.698 -4.721 -3.749 325 HE3 LYS 54 2HE LYS 54 14.610 -5.371 -4.294 326 HZ1 LYS 54 3HZ LYS 54 13.976 -4.685 -6.507 327 HZ2 LYS 54 1HZ LYS 54 12.462 -4.270 -6.005 328 HZ3 LYS 54 2HZ LYS 54 12.911 -5.844 -6.014 329 H ILE 55 H ILE 55 8.942 -5.933 -1.437 330 HA ILE 55 HA ILE 55 7.796 -5.457 1.273 331 HB ILE 55 HB ILE 55 6.458 -6.950 -1.017 332 HG13 ILE 55 2HG1 ILE 55 4.970 -5.152 -1.350 333 HG21 ILE 55 1HG2 ILE 55 5.709 -7.812 1.061 334 HG22 ILE 55 2HG2 ILE 55 5.610 -6.213 1.815 335 HG23 ILE 55 3HG2 ILE 55 4.453 -6.669 0.557 336 HD11 ILE 55 3HD1 ILE 55 4.835 -4.181 0.942 337 HD12 ILE 55 1HD1 ILE 55 6.503 -3.611 0.773 338 HD13 ILE 55 2HD1 ILE 55 5.225 -2.937 -0.261 339 H GLU 56 H GLU 56 9.571 -6.534 2.195 340 HA GLU 56 HA GLU 56 9.907 -9.400 1.403 341 HB3 GLU 56 2HB GLU 56 12.116 -7.639 2.488 342 HG3 GLU 56 2HG GLU 56 12.391 -10.107 2.086 343 H GLU 57 H GLU 57 8.269 -8.203 3.457 344 HA GLU 57 HA GLU 57 8.882 -9.615 5.754 345 HB3 GLU 57 2HB GLU 57 8.950 -6.900 6.646 346 HG3 GLU 57 2HG GLU 57 11.007 -7.530 7.859 347 H GLY 58 H GLY 58 6.598 -8.749 3.872 348 HA2 GLY 58 1HA GLY 58 4.297 -8.426 4.134 349 HA3 GLY 58 2HA GLY 58 4.498 -8.767 5.850 350 H ARG 59 H ARG 59 6.512 -6.298 4.580 351 HA ARG 59 HA ARG 59 4.968 -4.011 5.604 352 HB3 ARG 59 2HB ARG 59 7.133 -3.440 6.920 353 HG3 ARG 59 2HG ARG 59 5.418 -5.809 7.737 354 HD3 ARG 59 2HD ARG 59 7.444 -4.344 9.443 355 HE ARG 59 HE ARG 59 5.810 -5.004 10.906 356 HH11 ARG 59 1HH1 ARG 59 6.577 -7.878 8.809 357 HH12 ARG 59 2HH1 ARG 59 5.674 -8.930 9.860 358 HH21 ARG 59 1HH2 ARG 59 4.560 -6.543 12.098 359 HH22 ARG 59 2HH2 ARG 59 4.462 -8.204 11.552 360 H ILE 60 H ILE 60 6.286 -2.060 5.052 361 HA ILE 60 HA ILE 60 7.388 -2.485 2.311 362 HB ILE 60 HB ILE 60 6.778 0.249 3.444 363 HG13 ILE 60 2HG1 ILE 60 4.662 -1.034 3.628 364 HG21 ILE 60 1HG2 ILE 60 8.225 -0.126 1.400 365 HG22 ILE 60 2HG2 ILE 60 6.837 -0.894 0.614 366 HG23 ILE 60 3HG2 ILE 60 6.779 0.820 1.055 367 HD11 ILE 60 3HD1 ILE 60 3.241 0.383 2.305 368 HD12 ILE 60 1HD1 ILE 60 4.612 1.350 2.912 369 HD13 ILE 60 2HD1 ILE 60 4.572 0.808 1.218 370 H TYR 61 H TYR 61 9.449 -2.736 2.249 371 HA TYR 61 HA TYR 61 11.307 -1.581 4.265 372 HB3 TYR 61 2HB TYR 61 11.870 -3.300 1.816 373 HD1 TYR 61 2HD TYR 61 13.219 -2.304 5.222 374 HD2 TYR 61 1HD TYR 61 14.136 -3.405 1.137 375 HE1 TYR 61 2HE TYR 61 15.592 -2.064 5.715 376 HE2 TYR 61 1HE TYR 61 16.549 -3.141 1.631 377 HH TYR 61 HH TYR 61 17.753 -2.138 4.898 378 H ILE 62 H ILE 62 11.559 0.556 3.926 379 HA ILE 62 HA ILE 62 11.718 1.720 1.193 380 HB ILE 62 HB ILE 62 11.806 3.052 3.944 381 HG13 ILE 62 2HG1 ILE 62 9.495 3.786 3.615 382 HG21 ILE 62 1HG2 ILE 62 12.819 4.432 2.246 383 HG22 ILE 62 2HG2 ILE 62 11.454 4.199 1.137 384 HG23 ILE 62 3HG2 ILE 62 11.243 5.122 2.642 385 HD11 ILE 62 3HD1 ILE 62 9.186 3.550 1.208 386 HD12 ILE 62 1HD1 ILE 62 9.395 1.794 1.292 387 HD13 ILE 62 2HD1 ILE 62 7.998 2.576 2.073 388 H TYR 63 H TYR 63 13.844 2.116 0.412 389 HA TYR 63 HA TYR 63 16.013 2.280 2.373 390 HB3 TYR 63 2HB TYR 63 15.617 -0.172 2.137 391 HD1 TYR 63 2HD TYR 63 13.847 -0.548 0.293 392 HD2 TYR 63 1HD TYR 63 18.063 -0.089 -0.542 393 HE1 TYR 63 2HE TYR 63 13.504 -1.409 -2.000 394 HE2 TYR 63 1HE TYR 63 17.717 -1.034 -2.801 395 HH TYR 63 HH TYR 63 15.602 -1.225 -4.492 396 H ASP 64 H ASP 64 14.868 3.487 -0.582 397 HA ASP 64 HA ASP 64 17.276 4.910 -0.670 398 HB3 ASP 64 2HB ASP 64 16.385 3.538 -3.237 399 H VAL 65 H VAL 65 16.524 6.917 -0.757 400 HA VAL 65 HA VAL 65 13.825 7.499 -1.855 401 HB VAL 65 HB VAL 65 14.979 8.542 0.777 402 HG11 VAL 65 1HG1 VAL 65 12.720 9.463 1.180 403 HG12 VAL 65 2HG1 VAL 65 13.457 10.168 -0.253 404 HG13 VAL 65 3HG1 VAL 65 12.201 8.927 -0.430 405 HG21 VAL 65 3HG2 VAL 65 14.401 6.235 1.155 406 HG22 VAL 65 1HG2 VAL 65 13.117 7.224 1.856 407 HG23 VAL 65 2HG2 VAL 65 12.855 6.418 0.305 408 H TYR 66 H TYR 66 13.664 9.416 -2.962 409 HA TYR 66 HA TYR 66 15.907 11.335 -2.807 410 HB3 TYR 66 2HB TYR 66 15.333 9.583 -5.032 411 HD1 TYR 66 1HD TYR 66 12.932 10.569 -5.580 412 HD2 TYR 66 2HD TYR 66 16.668 12.490 -6.471 413 HE1 TYR 66 1HE TYR 66 11.751 12.122 -7.131 414 HE2 TYR 66 2HE TYR 66 15.549 13.970 -8.071 415 HH TYR 66 HH TYR 66 13.455 14.792 -8.767 416 HA PRO 67 HA PRO 67 16.178 13.300 -4.141 417 HB3 PRO 67 2HB PRO 67 15.331 15.206 -5.152 418 HG3 PRO 67 2HG PRO 67 13.437 16.364 -4.276 419 HD3 PRO 67 2HD PRO 67 12.740 14.144 -4.650 420 H ASP 68 H ASP 68 14.361 13.705 -1.144 421 HA ASP 68 HA ASP 68 16.775 14.552 0.321 422 HB3 ASP 68 2HB ASP 68 14.141 14.190 1.610 423 H GLU 69 H GLU 69 17.915 12.909 0.849 424 HA GLU 69 HA GLU 69 16.764 10.182 0.891 425 HB3 GLU 69 2HB GLU 69 18.632 10.389 -0.574 426 HG3 GLU 69 2HG GLU 69 20.203 11.274 1.857 427 H LYS 70 H LYS 70 16.502 8.989 2.688 428 HA LYS 70 HA LYS 70 18.026 9.671 5.142 429 HB3 LYS 70 2HB LYS 70 16.051 9.081 6.462 430 HG3 LYS 70 2HG LYS 70 14.872 11.023 4.463 431 HD3 LYS 70 2HD LYS 70 13.940 10.477 6.782 432 HE3 LYS 70 2HE LYS 70 16.487 10.717 7.593 433 HZ1 LYS 70 3HZ LYS 70 15.336 13.371 8.225 434 HZ2 LYS 70 1HZ LYS 70 16.636 13.084 7.235 435 HZ3 LYS 70 2HZ LYS 70 16.733 12.759 8.824 436 H THR 71 H THR 71 17.754 7.753 6.723 437 HA THR 71 HA THR 71 19.098 5.525 5.669 438 HB THR 71 HB THR 71 19.182 6.516 7.960 439 HG1 THR 71 1HG THR 71 18.627 3.959 8.643 440 HG21 THR 71 3HG2 THR 71 16.661 6.589 8.193 441 HG22 THR 71 1HG2 THR 71 17.557 5.990 9.606 442 HG23 THR 71 2HG2 THR 71 16.724 4.853 8.515 443 HA PRO 72 HA PRO 72 15.699 2.812 4.533 444 HB3 PRO 72 2HB PRO 72 17.270 1.267 3.666 445 HG3 PRO 72 2HG PRO 72 19.380 0.975 4.690 446 HD3 PRO 72 2HD PRO 72 19.018 3.292 4.222 447 H TYR 73 H TYR 73 13.973 1.694 5.491 448 HA TYR 73 HA TYR 73 14.209 0.347 8.017 449 HB3 TYR 73 2HB TYR 73 14.033 2.390 9.117 450 HD1 TYR 73 2HD TYR 73 10.686 2.698 7.392 451 HD2 TYR 73 1HD TYR 73 14.557 4.460 8.085 452 HE1 TYR 73 2HE TYR 73 9.887 4.864 6.457 453 HE2 TYR 73 1HE TYR 73 13.752 6.618 7.226 454 HH TYR 73 HH TYR 73 11.870 7.417 5.682 455 H TYR 74 H TYR 74 12.058 -0.573 8.685 456 HA TYR 74 HA TYR 74 10.398 -1.177 6.305 457 HB3 TYR 74 2HB TYR 74 9.375 -2.917 7.696 458 HD1 TYR 74 2HD TYR 74 12.815 -2.967 9.045 459 HD2 TYR 74 1HD TYR 74 10.265 -4.196 5.786 460 HE1 TYR 74 2HE TYR 74 14.578 -4.480 8.235 461 HE2 TYR 74 1HE TYR 74 12.037 -5.738 4.980 462 HH TYR 74 HH TYR 74 14.666 -5.808 5.201 463 H LEU 75 H LEU 75 8.207 -0.694 6.341 464 HA LEU 75 HA LEU 75 7.102 0.930 8.591 465 HB3 LEU 75 2HB LEU 75 5.659 1.942 6.842 466 HG LEU 75 HG LEU 75 8.605 2.394 6.232 467 HD11 LEU 75 1HD1 LEU 75 7.083 3.065 4.407 468 HD12 LEU 75 2HD1 LEU 75 7.751 4.480 5.222 469 HD13 LEU 75 3HD1 LEU 75 6.074 3.957 5.564 470 HD21 LEU 75 3HD2 LEU 75 8.202 2.979 8.539 471 HD22 LEU 75 1HD2 LEU 75 6.604 3.637 8.161 472 HD23 LEU 75 2HD2 LEU 75 8.057 4.506 7.651 473 H ASP 76 H ASP 76 5.204 0.223 9.379 474 HA ASP 76 HA ASP 76 4.184 -2.335 8.348 475 HB3 ASP 76 2HB ASP 76 2.894 -2.277 10.535 476 H CYS 77 H CYS 77 2.252 -2.633 7.483 477 HA CYS 77 HA CYS 77 0.066 -0.803 7.864 478 HB3 CYS 77 2HB CYS 77 0.862 0.379 5.923 479 HG CYS 77 HG CYS 77 2.877 -0.659 5.155 480 H LYS 78 H LYS 78 -1.889 -1.688 6.868 481 HA LYS 78 HA LYS 78 -1.587 -4.508 5.961 482 HB3 LYS 78 2HB LYS 78 -3.610 -5.243 6.798 483 HG3 LYS 78 2HG LYS 78 -1.916 -4.448 8.773 484 HD3 LYS 78 2HD LYS 78 -4.595 -3.215 9.571 485 HE3 LYS 78 2HE LYS 78 -3.059 -1.824 11.033 486 HZ1 LYS 78 3HZ LYS 78 -2.528 -3.456 12.610 487 HZ2 LYS 78 1HZ LYS 78 -2.777 -4.708 11.597 488 HZ3 LYS 78 2HZ LYS 78 -4.058 -3.752 12.057 489 H ILE 79 H ILE 79 -3.222 -5.150 4.317 490 HA ILE 79 HA ILE 79 -4.492 -2.901 2.922 491 HB ILE 79 HB ILE 79 -2.203 -3.362 1.936 492 HG13 ILE 79 2HG1 ILE 79 -4.136 -2.317 0.719 493 HG21 ILE 79 1HG2 ILE 79 -1.763 -5.401 0.705 494 HG22 ILE 79 2HG2 ILE 79 -2.297 -5.896 2.299 495 HG23 ILE 79 3HG2 ILE 79 -3.416 -5.983 0.930 496 HD11 ILE 79 3HD1 ILE 79 -3.225 -2.782 -1.583 497 HD12 ILE 79 1HD1 ILE 79 -1.963 -2.352 -0.394 498 HD13 ILE 79 2HD1 ILE 79 -2.203 -4.034 -0.921 499 H SER 80 H SER 80 -6.463 -3.554 2.000 500 HA SER 80 HA SER 80 -7.282 -6.392 2.447 501 HB3 SER 80 2HB SER 80 -8.575 -4.788 3.656 502 HG SER 80 HG SER 80 -9.593 -3.115 2.644 503 H GLY 81 H GLY 81 -6.350 -4.263 0.002 504 HA2 GLY 81 1HA GLY 81 -6.334 -5.266 -2.339 505 HA3 GLY 81 2HA GLY 81 -8.083 -5.458 -2.100 506 H THR 82 H THR 82 -9.174 -3.346 -1.151 507 HA THR 82 HA THR 82 -8.207 -1.078 -2.763 508 HB THR 82 HB THR 82 -10.750 -0.466 -2.442 509 HG1 THR 82 1HG THR 82 -12.033 -2.116 -1.933 510 HG21 THR 82 3HG2 THR 82 -9.522 -1.084 -4.553 511 HG22 THR 82 1HG2 THR 82 -11.214 -1.647 -4.518 512 HG23 THR 82 2HG2 THR 82 -9.892 -2.790 -4.206 513 H THR 83 H THR 83 -8.621 -1.853 0.650 514 HA THR 83 HA THR 83 -8.283 1.052 1.234 515 HB THR 83 HB THR 83 -8.846 -1.244 3.111 516 HG1 THR 83 1HG THR 83 -10.700 -0.963 1.932 517 HG21 THR 83 3HG2 THR 83 -9.434 0.391 4.787 518 HG22 THR 83 1HG2 THR 83 -9.194 1.740 3.629 519 HG23 THR 83 2HG2 THR 83 -7.822 0.767 4.191 520 H LEU 84 H LEU 84 -6.339 1.734 1.975 521 HA LEU 84 HA LEU 84 -4.207 -0.228 2.691 522 HB3 LEU 84 2HB LEU 84 -3.666 2.719 2.669 523 HG LEU 84 HG LEU 84 -2.119 0.570 1.220 524 HD11 LEU 84 1HD1 LEU 84 -0.276 2.195 1.358 525 HD12 LEU 84 2HD1 LEU 84 -1.385 3.347 2.127 526 HD13 LEU 84 3HD1 LEU 84 -1.670 2.805 0.464 527 HD21 LEU 84 3HD2 LEU 84 -1.980 -0.355 3.252 528 HD22 LEU 84 1HD2 LEU 84 -1.789 1.211 4.086 529 HD23 LEU 84 2HD2 LEU 84 -0.497 0.549 3.049 530 H LYS 85 H LYS 85 -3.565 -0.198 4.885 531 HA LYS 85 HA LYS 85 -4.551 2.029 6.611 532 HB3 LYS 85 2HB LYS 85 -4.636 -0.991 7.207 533 HG3 LYS 85 2HG LYS 85 -4.861 1.458 8.955 534 HD3 LYS 85 2HD LYS 85 -6.252 -1.100 9.787 535 HE3 LYS 85 2HE LYS 85 -6.380 1.841 10.634 536 HZ1 LYS 85 3HZ LYS 85 -7.612 1.146 12.427 537 HZ2 LYS 85 1HZ LYS 85 -7.324 -0.448 12.195 538 HZ3 LYS 85 2HZ LYS 85 -8.358 0.356 11.183 539 H VAL 86 H VAL 86 -2.463 2.944 6.260 540 HA VAL 86 HA VAL 86 -0.098 1.515 7.149 541 HB VAL 86 HB VAL 86 -0.548 4.447 6.477 542 HG11 VAL 86 1HG1 VAL 86 2.024 2.825 6.630 543 HG12 VAL 86 2HG1 VAL 86 1.897 4.539 6.199 544 HG13 VAL 86 3HG1 VAL 86 1.522 3.990 7.838 545 HG21 VAL 86 3HG2 VAL 86 0.275 2.048 4.760 546 HG22 VAL 86 1HG2 VAL 86 -0.989 3.250 4.442 547 HG23 VAL 86 2HG2 VAL 86 0.722 3.675 4.345 548 H GLU 87 H GLU 87 0.601 1.256 9.136 549 HA GLU 87 HA GLU 87 -0.795 2.643 11.355 550 HB3 GLU 87 2HB GLU 87 0.421 1.000 12.750 551 HG3 GLU 87 2HG GLU 87 -0.773 -0.739 10.648 552 H THR 88 H THR 88 2.400 2.643 9.724 553 HA THR 88 HA THR 88 3.210 4.874 11.442 554 HB THR 88 HB THR 88 3.879 2.884 12.680 555 HG1 THR 88 1HG THR 88 5.311 4.847 12.467 556 HG21 THR 88 3HG2 THR 88 4.158 1.345 10.756 557 HG22 THR 88 1HG2 THR 88 5.545 1.326 11.857 558 HG23 THR 88 2HG2 THR 88 5.648 2.204 10.312 559 H GLY 89 H GLY 89 5.148 5.906 10.655 560 HA2 GLY 89 1HA GLY 89 6.797 6.202 8.892 561 HA3 GLY 89 2HA GLY 89 5.598 5.619 7.720 562 H SER 90 H SER 90 6.654 7.870 7.058 563 HA SER 90 HA SER 90 5.379 10.279 7.879 564 HB3 SER 90 2HB SER 90 6.019 11.075 5.598 565 HG SER 90 HG SER 90 8.019 9.492 6.907 566 H GLU 91 H GLU 91 4.250 7.574 5.956 567 HA GLU 91 HA GLU 91 1.887 9.095 5.048 568 HB3 GLU 91 2HB GLU 91 1.544 7.142 3.582 569 HG3 GLU 91 2HG GLU 91 3.783 8.983 3.444 570 H ALA 92 H ALA 92 2.338 7.783 7.882 571 HA ALA 92 HA ALA 92 0.452 5.722 8.303 572 HB1 ALA 92 1HB ALA 92 0.521 6.406 10.658 573 HB2 ALA 92 2HB ALA 92 2.149 6.429 9.961 574 HB3 ALA 92 3HB ALA 92 1.279 7.949 10.214 575 H GLY 93 H GLY 93 -1.543 5.721 7.657 576 HA2 GLY 93 1HA GLY 93 -3.586 7.587 8.483 577 HA3 GLY 93 2HA GLY 93 -2.989 7.979 6.868 578 H THR 94 H THR 94 -5.303 7.553 6.412 579 HA THR 94 HA THR 94 -5.938 4.716 5.907 580 HB THR 94 HB THR 94 -7.297 5.597 7.729 581 HG1 THR 94 1HG THR 94 -8.296 4.212 6.469 582 HG21 THR 94 3HG2 THR 94 -8.902 7.386 7.504 583 HG22 THR 94 1HG2 THR 94 -8.349 7.756 5.864 584 HG23 THR 94 2HG2 THR 94 -7.270 8.022 7.257 585 H TYR 95 H TYR 95 -6.211 4.247 3.770 586 HA TYR 95 HA TYR 95 -6.744 6.489 1.911 587 HB3 TYR 95 2HB TYR 95 -4.916 5.900 0.459 588 HD1 TYR 95 1HD TYR 95 -3.461 4.855 3.740 589 HD2 TYR 95 2HD TYR 95 -4.080 8.095 0.968 590 HE1 TYR 95 1HE TYR 95 -2.018 6.287 5.095 591 HE2 TYR 95 2HE TYR 95 -2.660 9.562 2.355 592 HH TYR 95 HH TYR 95 -0.859 8.268 5.121 593 H LYS 96 H LYS 96 -7.362 5.788 -0.204 594 HA LYS 96 HA LYS 96 -8.264 2.955 -0.411 595 HB3 LYS 96 2HB LYS 96 -10.100 3.767 -1.890 596 HG3 LYS 96 2HG LYS 96 -11.539 4.848 -0.243 597 HD3 LYS 96 2HD LYS 96 -9.895 2.585 0.979 598 HE3 LYS 96 2HE LYS 96 -11.278 3.603 2.674 599 HZ1 LYS 96 3HZ LYS 96 -12.963 4.665 1.321 600 HZ2 LYS 96 1HZ LYS 96 -13.690 3.595 2.356 601 HZ3 LYS 96 2HZ LYS 96 -13.521 3.206 0.794 602 H LYS 97 H LYS 97 -8.019 2.021 -2.408 603 HA LYS 97 HA LYS 97 -5.798 2.847 -4.001 604 HB3 LYS 97 2HB LYS 97 -8.092 0.965 -4.761 605 HG3 LYS 97 2HG LYS 97 -5.328 1.509 -5.839 606 HD3 LYS 97 2HD LYS 97 -5.591 -0.820 -6.951 607 HE3 LYS 97 2HE LYS 97 -4.718 -0.889 -4.052 608 HZ1 LYS 97 3HZ LYS 97 -4.458 -2.826 -5.625 609 HZ2 LYS 97 1HZ LYS 97 -3.081 -2.352 -4.884 610 HZ3 LYS 97 2HZ LYS 97 -3.344 -1.937 -6.439 611 H GLN 98 H GLN 98 -5.768 3.939 -6.014 612 HA GLN 98 HA GLN 98 -8.310 5.196 -6.981 613 HB3 GLN 98 2HB GLN 98 -7.026 7.125 -7.668 614 HG3 GLN 98 2HG GLN 98 -6.023 7.954 -5.509 615 HE21 GLN 98 1HE2 GLN 98 -8.794 5.698 -4.797 616 HE22 GLN 98 2HE2 GLN 98 -9.960 6.988 -4.688 617 H LYS 99 H LYS 99 -8.085 2.905 -7.662 618 HA LYS 99 HA LYS 99 -7.407 2.673 -10.419 619 HB3 LYS 99 2HB LYS 99 -6.132 0.403 -9.038 620 HG3 LYS 99 2HG LYS 99 -4.121 1.142 -10.338 621 HD3 LYS 99 2HD LYS 99 -6.678 1.088 -11.995 622 HE3 LYS 99 2HE LYS 99 -3.787 0.309 -12.561 623 HZ1 LYS 99 3HZ LYS 99 -4.580 -0.196 -14.739 624 HZ2 LYS 99 1HZ LYS 99 -6.139 0.170 -14.334 625 HZ3 LYS 99 2HZ LYS 99 -5.386 -1.132 -13.658 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -12.444 -6.785 15.813 2 HA2 GLY 1 1HA GLY 1 -12.422 -8.278 13.246 3 HA3 GLY 1 2HA GLY 1 -13.564 -6.957 13.623 4 H GLU 2 H GLU 2 -10.313 -7.796 12.678 5 HA GLU 2 HA GLU 2 -9.836 -5.223 11.567 6 HB3 GLU 2 2HB GLU 2 -7.363 -5.431 12.698 7 HG3 GLU 2 2HG GLU 2 -7.947 -3.624 14.261 8 H ASP 3 H ASP 3 -10.206 -6.784 9.901 9 HA ASP 3 HA ASP 3 -8.550 -9.228 10.054 10 HB3 ASP 3 2HB ASP 3 -10.436 -10.433 9.322 11 H TRP 4 H TRP 4 -7.001 -7.889 9.015 12 HA TRP 4 HA TRP 4 -7.373 -7.137 6.201 13 HB3 TRP 4 2HB TRP 4 -5.081 -6.255 6.538 14 HD1 TRP 4 HD TRP 4 -6.771 -5.541 9.946 15 HE1 TRP 4 1HE TRP 4 -7.892 -3.239 9.881 16 HE3 TRP 4 3HE TRP 4 -5.750 -4.397 5.167 17 HZ2 TRP 4 2HZ TRP 4 -8.315 -1.087 7.802 18 HZ3 TRP 4 3HZ TRP 4 -6.397 -2.198 4.156 19 HH2 TRP 4 HH TRP 4 -7.680 -0.574 5.533 20 H THR 5 H THR 5 -6.106 -7.983 4.472 21 HA THR 5 HA THR 5 -5.141 -10.699 4.684 22 HB THR 5 HB THR 5 -4.207 -9.657 2.275 23 HG1 THR 5 1HG THR 5 -5.345 -7.658 2.715 24 HG21 THR 5 3HG2 THR 5 -6.151 -10.677 1.219 25 HG22 THR 5 1HG2 THR 5 -6.946 -10.825 2.820 26 HG23 THR 5 2HG2 THR 5 -5.439 -11.699 2.465 27 H GLU 6 H GLU 6 -2.967 -11.191 3.860 28 HA GLU 6 HA GLU 6 -0.756 -9.723 4.910 29 HB3 GLU 6 2HB GLU 6 0.440 -10.985 2.952 30 HG3 GLU 6 2HG GLU 6 -0.787 -12.080 5.424 31 H LEU 7 H LEU 7 0.277 -8.062 4.121 32 HA LEU 7 HA LEU 7 -0.310 -6.742 1.558 33 HB3 LEU 7 2HB LEU 7 2.164 -6.685 3.336 34 HG LEU 7 HG LEU 7 2.167 -5.331 1.110 35 HD11 LEU 7 1HD1 LEU 7 1.022 -3.129 1.287 36 HD12 LEU 7 2HD1 LEU 7 0.303 -3.611 2.828 37 HD13 LEU 7 3HD1 LEU 7 -0.178 -4.434 1.318 38 HD21 LEU 7 3HD2 LEU 7 2.490 -3.952 3.812 39 HD22 LEU 7 1HD2 LEU 7 3.122 -3.327 2.263 40 HD23 LEU 7 2HD2 LEU 7 3.746 -4.835 2.917 41 H ASN 8 H ASN 8 0.829 -7.261 -0.437 42 HA ASN 8 HA ASN 8 3.253 -8.806 -0.279 43 HB3 ASN 8 2HB ASN 8 2.580 -10.155 -2.295 44 HD21 ASN 8 1HD2 ASN 8 -0.276 -11.159 -0.949 45 HD22 ASN 8 2HD2 ASN 8 0.377 -12.344 0.149 46 H SER 9 H SER 9 4.208 -8.655 -2.562 47 HA SER 9 HA SER 9 4.687 -6.129 -3.592 48 HB3 SER 9 2HB SER 9 6.119 -7.954 -4.124 49 HG SER 9 HG SER 9 5.296 -9.941 -4.899 50 H ASN 10 H ASN 10 2.692 -8.666 -4.909 51 HA ASN 10 HA ASN 10 1.621 -7.059 -7.009 52 HB3 ASN 10 2HB ASN 10 0.296 -8.977 -7.606 53 HD21 ASN 10 1HD2 ASN 10 2.750 -8.471 -8.530 54 HD22 ASN 10 2HD2 ASN 10 3.866 -9.810 -8.347 55 H ASN 11 H ASN 11 0.646 -7.283 -3.676 56 HA ASN 11 HA ASN 11 -2.146 -6.558 -4.213 57 HB3 ASN 11 2HB ASN 11 -2.437 -6.436 -1.842 58 HD21 ASN 11 1HD2 ASN 11 -1.851 -8.453 -0.096 59 HD22 ASN 11 2HD2 ASN 11 -2.303 -9.924 -0.850 60 H ILE 12 H ILE 12 0.933 -4.850 -3.279 61 HA ILE 12 HA ILE 12 -0.538 -2.519 -2.394 62 HB ILE 12 HB ILE 12 1.362 -2.968 -1.255 63 HG13 ILE 12 2HG1 ILE 12 2.124 -0.592 -2.976 64 HG21 ILE 12 1HG2 ILE 12 2.989 -3.005 -3.840 65 HG22 ILE 12 2HG2 ILE 12 3.711 -3.068 -2.231 66 HG23 ILE 12 3HG2 ILE 12 2.686 -4.373 -2.751 67 HD11 ILE 12 3HD1 ILE 12 1.581 0.686 -0.916 68 HD12 ILE 12 1HD1 ILE 12 0.151 -0.197 -1.499 69 HD13 ILE 12 2HD1 ILE 12 1.107 -0.809 -0.113 70 H ILE 13 H ILE 13 0.398 -3.520 -5.507 71 HA ILE 13 HA ILE 13 1.134 -1.197 -6.772 72 HB ILE 13 HB ILE 13 -0.632 -3.371 -7.959 73 HG13 ILE 13 2HG1 ILE 13 1.528 -4.491 -8.617 74 HG21 ILE 13 1HG2 ILE 13 0.607 -2.885 -10.068 75 HG22 ILE 13 2HG2 ILE 13 -0.344 -1.513 -9.505 76 HG23 ILE 13 3HG2 ILE 13 1.413 -1.521 -9.265 77 HD11 ILE 13 3HD1 ILE 13 3.528 -4.119 -7.339 78 HD12 ILE 13 1HD1 ILE 13 3.071 -2.551 -8.055 79 HD13 ILE 13 2HD1 ILE 13 2.771 -2.880 -6.338 80 H GLY 14 H GLY 14 0.203 0.642 -7.499 81 HA2 GLY 14 1HA GLY 14 -1.783 1.399 -8.833 82 HA3 GLY 14 2HA GLY 14 -2.779 0.925 -7.441 83 H TYR 15 H TYR 15 -3.391 3.195 -7.890 84 HA TYR 15 HA TYR 15 -1.676 5.296 -6.711 85 HB3 TYR 15 2HB TYR 15 -4.418 6.037 -7.396 86 HD1 TYR 15 1HD TYR 15 -0.945 5.994 -8.816 87 HD2 TYR 15 2HD TYR 15 -4.553 8.202 -8.118 88 HE1 TYR 15 1HE TYR 15 0.237 8.090 -9.510 89 HE2 TYR 15 2HE TYR 15 -3.445 10.299 -8.929 90 HH TYR 15 HH TYR 15 0.045 10.446 -9.681 91 H TRP 16 H TRP 16 -2.268 6.300 -4.739 92 HA TRP 16 HA TRP 16 -4.511 5.082 -3.202 93 HB3 TRP 16 2HB TRP 16 -2.908 5.015 -1.276 94 HD1 TRP 16 HD TRP 16 -0.496 3.572 -3.713 95 HE1 TRP 16 1HE TRP 16 -0.708 1.008 -3.798 96 HE3 TRP 16 3HE TRP 16 -4.947 3.068 -1.280 97 HZ2 TRP 16 2HZ TRP 16 -2.545 -0.997 -2.910 98 HZ3 TRP 16 3HZ TRP 16 -5.983 0.791 -1.011 99 HH2 TRP 16 HH TRP 16 -4.844 -1.176 -1.849 100 H SER 17 H SER 17 -5.852 6.744 -2.651 101 HA SER 17 HA SER 17 -4.661 9.426 -2.030 102 HB3 SER 17 2HB SER 17 -7.432 8.891 -3.102 103 HG SER 17 HG SER 17 -6.891 11.033 -4.104 104 H THR 18 H THR 18 -5.499 10.496 -0.188 105 HA THR 18 HA THR 18 -6.936 8.789 1.759 106 HB THR 18 HB THR 18 -4.985 9.933 2.526 107 HG1 THR 18 1HG THR 18 -7.037 11.366 3.801 108 HG21 THR 18 3HG2 THR 18 -4.777 12.316 2.811 109 HG22 THR 18 1HG2 THR 18 -6.340 12.600 2.014 110 HG23 THR 18 2HG2 THR 18 -4.959 11.929 1.111 111 H GLY 19 H GLY 19 -7.411 11.832 -0.119 112 HA2 GLY 19 1HA GLY 19 -10.210 11.550 -0.400 113 HA3 GLY 19 2HA GLY 19 -9.874 12.638 0.962 114 H ILE 20 H ILE 20 -11.136 13.857 -1.080 115 HA ILE 20 HA ILE 20 -9.130 14.944 -2.997 116 HB ILE 20 HB ILE 20 -11.103 15.093 -4.513 117 HG13 ILE 20 2HG1 ILE 20 -12.791 15.034 -2.550 118 HG21 ILE 20 1HG2 ILE 20 -11.091 12.681 -5.043 119 HG22 ILE 20 2HG2 ILE 20 -9.475 13.244 -4.619 120 HG23 ILE 20 3HG2 ILE 20 -10.424 12.307 -3.448 121 HD11 ILE 20 3HD1 ILE 20 -13.508 14.744 -4.975 122 HD12 ILE 20 1HD1 ILE 20 -13.360 12.984 -4.738 123 HD13 ILE 20 2HD1 ILE 20 -14.540 13.906 -3.800 124 H GLU 21 H GLU 21 -9.131 16.121 -0.689 125 HA GLU 21 HA GLU 21 -10.990 18.446 -0.684 126 HB3 GLU 21 2HB GLU 21 -11.867 16.829 0.776 127 HG3 GLU 21 2HG GLU 21 -9.015 16.340 1.647 128 H GLY 22 H GLY 22 -10.280 19.909 1.337 129 HA2 GLY 22 1HA GLY 22 -8.619 21.654 0.158 130 HA3 GLY 22 2HA GLY 22 -9.031 21.682 1.871 131 H THR 23 H THR 23 -7.472 19.069 2.286 132 HA THR 23 HA THR 23 -4.741 19.680 1.487 133 HB THR 23 HB THR 23 -5.322 19.390 4.461 134 HG1 THR 23 1HG THR 23 -5.235 21.630 2.798 135 HG21 THR 23 3HG2 THR 23 -2.881 20.283 2.873 136 HG22 THR 23 1HG2 THR 23 -3.057 18.722 3.712 137 HG23 THR 23 2HG2 THR 23 -2.984 20.228 4.648 138 H HIS 24 H HIS 24 -3.984 17.627 0.763 139 HA HIS 24 HA HIS 24 -4.845 15.257 2.208 140 HB3 HIS 24 2HB HIS 24 -6.717 15.687 0.700 141 HD1 HIS 24 1HD HIS 24 -7.015 17.423 -1.293 142 HD2 HIS 24 2HD HIS 24 -4.316 14.259 -1.978 143 HE1 HIS 24 1HE HIS 24 -6.539 17.398 -3.802 144 H LYS 25 H LYS 25 -3.902 13.273 0.596 145 HA LYS 25 HA LYS 25 -1.072 13.894 0.012 146 HB3 LYS 25 2HB LYS 25 -0.498 11.901 1.500 147 HG3 LYS 25 2HG LYS 25 -1.560 14.348 2.974 148 HD3 LYS 25 2HD LYS 25 0.422 12.191 3.816 149 HE3 LYS 25 2HE LYS 25 -0.765 14.504 5.409 150 HZ1 LYS 25 3HZ LYS 25 1.449 12.695 6.178 151 HZ2 LYS 25 1HZ LYS 25 -0.117 12.380 6.605 152 HZ3 LYS 25 2HZ LYS 25 0.681 13.745 7.131 153 H LEU 26 H LEU 26 -0.131 12.259 -1.327 154 HA LEU 26 HA LEU 26 -2.057 10.284 -2.449 155 HB3 LEU 26 2HB LEU 26 -0.176 11.756 -4.274 156 HG LEU 26 HG LEU 26 -1.918 11.718 -5.874 157 HD11 LEU 26 1HD1 LEU 26 -0.773 9.520 -5.559 158 HD12 LEU 26 2HD1 LEU 26 -2.399 9.395 -6.226 159 HD13 LEU 26 3HD1 LEU 26 -2.133 9.001 -4.538 160 HD21 LEU 26 3HD2 LEU 26 -4.211 10.966 -5.441 161 HD22 LEU 26 1HD2 LEU 26 -3.791 12.357 -4.434 162 HD23 LEU 26 2HD2 LEU 26 -3.825 10.740 -3.723 163 H LEU 27 H LEU 27 -1.087 8.319 -2.896 164 HA LEU 27 HA LEU 27 1.879 8.098 -2.842 165 HB3 LEU 27 2HB LEU 27 1.044 5.622 -2.069 166 HG LEU 27 HG LEU 27 1.519 7.926 -0.181 167 HD11 LEU 27 1HD1 LEU 27 1.076 4.983 0.361 168 HD12 LEU 27 2HD1 LEU 27 0.192 6.394 1.004 169 HD13 LEU 27 3HD1 LEU 27 1.866 6.067 1.500 170 HD21 LEU 27 3HD2 LEU 27 3.328 5.675 -1.097 171 HD22 LEU 27 1HD2 LEU 27 3.676 6.753 0.269 172 HD23 LEU 27 2HD2 LEU 27 3.526 7.416 -1.354 173 H SER 28 H SER 28 2.673 6.470 -4.332 174 HA SER 28 HA SER 28 0.709 4.880 -5.762 175 HB3 SER 28 2HB SER 28 0.789 6.651 -7.299 176 HG SER 28 HG SER 28 2.523 7.785 -6.457 177 H PHE 29 H PHE 29 1.648 2.986 -6.656 178 HA PHE 29 HA PHE 29 4.511 2.438 -6.138 179 HB3 PHE 29 2HB PHE 29 3.854 0.224 -5.180 180 HD1 PHE 29 1HD PHE 29 5.553 1.266 -3.695 181 HD2 PHE 29 2HD PHE 29 1.410 2.389 -3.495 182 HE1 PHE 29 1HE PHE 29 5.985 2.431 -1.570 183 HE2 PHE 29 2HE PHE 29 1.831 3.603 -1.363 184 HZ PHE 29 HZ PHE 29 4.124 3.580 -0.375 185 H ASP 30 H ASP 30 5.308 1.594 -7.996 186 HA ASP 30 HA ASP 30 3.489 0.465 -10.058 187 HB3 ASP 30 2HB ASP 30 5.875 0.341 -11.207 188 H GLU 31 H GLU 31 4.554 -1.531 -11.105 189 HA GLU 31 HA GLU 31 4.864 -3.468 -8.911 190 HB3 GLU 31 2HB GLU 31 2.995 -3.821 -10.412 191 HG3 GLU 31 2HG GLU 31 5.044 -3.806 -12.664 192 H ASP 32 H ASP 32 6.721 -2.113 -11.525 193 HA ASP 32 HA ASP 32 8.986 -3.891 -10.826 194 HB3 ASP 32 2HB ASP 32 8.472 -3.521 -13.730 195 H GLY 33 H GLY 33 8.376 -1.211 -10.141 196 HA2 GLY 33 1HA GLY 33 10.677 0.220 -11.338 197 HA3 GLY 33 2HA GLY 33 9.103 1.037 -11.342 198 H THR 34 H THR 34 8.638 2.219 -9.492 199 HA THR 34 HA THR 34 9.972 1.571 -6.923 200 HB THR 34 HB THR 34 10.535 4.035 -6.796 201 HG1 THR 34 1HG THR 34 10.530 5.178 -8.710 202 HG21 THR 34 3HG2 THR 34 12.269 2.361 -7.445 203 HG22 THR 34 1HG2 THR 34 12.534 3.976 -8.121 204 HG23 THR 34 2HG2 THR 34 11.880 2.683 -9.146 205 H GLY 35 H GLY 35 9.019 3.881 -5.536 206 HA2 GLY 35 1HA GLY 35 6.094 3.941 -5.978 207 HA3 GLY 35 2HA GLY 35 6.774 3.843 -4.342 208 H SER 36 H SER 36 5.221 5.939 -4.827 209 HA SER 36 HA SER 36 7.104 8.220 -4.811 210 HB3 SER 36 2HB SER 36 6.181 9.442 -6.520 211 HG SER 36 HG SER 36 5.309 6.952 -7.498 212 H PHE 37 H PHE 37 6.293 9.992 -3.563 213 HA PHE 37 HA PHE 37 3.640 9.678 -2.292 214 HB3 PHE 37 2HB PHE 37 6.324 9.995 -0.920 215 HD1 PHE 37 2HD PHE 37 2.602 10.328 -0.311 216 HD2 PHE 37 1HD PHE 37 6.550 10.366 1.414 217 HE1 PHE 37 2HE PHE 37 1.756 11.608 1.642 218 HE2 PHE 37 1HE PHE 37 5.679 11.518 3.396 219 HZ PHE 37 HZ PHE 37 3.265 12.154 3.526 220 H GLY 38 H GLY 38 2.560 11.603 -2.425 221 HA2 GLY 38 1HA GLY 38 4.124 14.140 -2.501 222 HA3 GLY 38 2HA GLY 38 2.814 13.847 -3.653 223 H ILE 39 H ILE 39 2.661 16.002 -2.044 224 HA ILE 39 HA ILE 39 0.466 15.402 -0.155 225 HB ILE 39 HB ILE 39 2.573 17.543 0.266 226 HG13 ILE 39 2HG1 ILE 39 3.424 15.172 0.748 227 HG21 ILE 39 1HG2 ILE 39 0.390 18.213 1.128 228 HG22 ILE 39 2HG2 ILE 39 0.224 16.684 2.007 229 HG23 ILE 39 3HG2 ILE 39 1.450 17.880 2.460 230 HD11 ILE 39 3HD1 ILE 39 4.560 15.718 2.696 231 HD12 ILE 39 1HD1 ILE 39 4.263 17.274 1.932 232 HD13 ILE 39 2HD1 ILE 39 3.268 16.771 3.300 233 H TYR 40 H TYR 40 -1.205 17.060 -0.341 234 HA TYR 40 HA TYR 40 -0.954 18.935 -2.623 235 HB3 TYR 40 2HB TYR 40 -3.280 18.033 -3.281 236 HD1 TYR 40 1HD TYR 40 -0.777 15.240 -2.819 237 HD2 TYR 40 2HD TYR 40 -2.774 17.897 -5.575 238 HE1 TYR 40 1HE TYR 40 0.339 14.113 -4.705 239 HE2 TYR 40 2HE TYR 40 -1.741 16.708 -7.471 240 HH TYR 40 HH TYR 40 0.912 14.510 -7.084 241 H SER 41 H SER 41 -2.771 20.409 -2.652 242 HA SER 41 HA SER 41 -4.433 20.673 -0.214 243 HB3 SER 41 2HB SER 41 -4.109 23.223 -0.657 244 HG SER 41 HG SER 41 -2.756 23.221 0.948 245 H ASN 42 H ASN 42 -6.442 20.314 -1.016 246 HA ASN 42 HA ASN 42 -8.257 20.283 -2.236 247 HB3 ASN 42 2HB ASN 42 -7.612 23.035 -3.302 248 HD21 ASN 42 1HD2 ASN 42 -10.292 22.605 -1.091 249 HD22 ASN 42 2HD2 ASN 42 -11.491 22.249 -2.296 250 H ALA 43 H ALA 43 -6.422 22.155 -4.540 251 HA ALA 43 HA ALA 43 -6.397 19.952 -6.516 252 HB1 ALA 43 1HB ALA 43 -7.696 22.643 -7.104 253 HB2 ALA 43 2HB ALA 43 -7.428 21.306 -8.258 254 HB3 ALA 43 3HB ALA 43 -8.553 21.098 -6.907 255 H THR 44 H THR 44 -4.198 20.919 -5.103 256 HA THR 44 HA THR 44 -2.483 21.712 -7.308 257 HB THR 44 HB THR 44 -2.843 23.421 -4.802 258 HG1 THR 44 1HG THR 44 -3.946 23.524 -7.091 259 HG21 THR 44 3HG2 THR 44 -0.420 23.247 -5.243 260 HG22 THR 44 1HG2 THR 44 -1.030 24.841 -5.664 261 HG23 THR 44 2HG2 THR 44 -0.682 23.665 -6.953 262 HA PRO 45 HA PRO 45 -0.031 18.875 -4.709 263 HB3 PRO 45 2HB PRO 45 0.779 18.021 -6.735 264 HG3 PRO 45 2HG PRO 45 1.305 19.480 -8.568 265 HD3 PRO 45 2HD PRO 45 -0.992 19.871 -8.013 266 H ILE 46 H ILE 46 1.334 19.220 -3.064 267 HA ILE 46 HA ILE 46 2.843 21.773 -2.828 268 HB ILE 46 HB ILE 46 1.288 20.398 -0.614 269 HG13 ILE 46 2HG1 ILE 46 -0.464 21.998 -0.757 270 HG21 ILE 46 1HG2 ILE 46 2.976 21.817 0.342 271 HG22 ILE 46 2HG2 ILE 46 2.634 23.123 -0.809 272 HG23 ILE 46 3HG2 ILE 46 1.457 22.704 0.448 273 HD11 ILE 46 3HD1 ILE 46 -0.767 23.537 -2.679 274 HD12 ILE 46 1HD1 ILE 46 0.526 24.032 -1.567 275 HD13 ILE 46 2HD1 ILE 46 0.926 23.284 -3.127 276 H SER 47 H SER 47 3.137 18.332 -2.826 277 HA SER 47 HA SER 47 5.913 18.765 -2.302 278 HB3 SER 47 2HB SER 47 4.510 16.767 -0.494 279 HG SER 47 HG SER 47 6.393 15.909 -0.366 280 H PHE 48 H PHE 48 7.081 16.794 -2.694 281 HA PHE 48 HA PHE 48 5.983 14.626 -4.275 282 HB3 PHE 48 2HB PHE 48 7.759 16.735 -5.628 283 HD1 PHE 48 1HD PHE 48 5.138 14.258 -6.646 284 HD2 PHE 48 2HD PHE 48 9.191 15.598 -7.164 285 HE1 PHE 48 1HE PHE 48 5.466 12.591 -8.471 286 HE2 PHE 48 2HE PHE 48 9.539 13.894 -8.917 287 HZ PHE 48 HZ PHE 48 7.684 12.366 -9.554 288 H GLN 49 H GLN 49 7.254 12.970 -3.585 289 HA GLN 49 HA GLN 49 10.159 13.232 -3.702 290 HB3 GLN 49 2HB GLN 49 9.655 13.510 -1.254 291 HG3 GLN 49 2HG GLN 49 8.700 10.612 -1.354 292 HE21 GLN 49 1HE2 GLN 49 10.043 10.140 0.516 293 HE22 GLN 49 2HE2 GLN 49 9.464 10.596 2.095 294 H MET 50 H MET 50 11.107 10.891 -3.867 295 HA MET 50 HA MET 50 9.157 8.879 -4.737 296 HB3 MET 50 2HB MET 50 10.603 8.394 -6.664 297 HG3 MET 50 2HG MET 50 9.843 11.351 -6.716 298 HE1 MET 50 3HE MET 50 11.851 10.139 -10.219 299 HE2 MET 50 1HE MET 50 12.148 11.143 -8.792 300 HE3 MET 50 2HE MET 50 12.057 9.370 -8.643 301 H PHE 51 H PHE 51 10.136 6.686 -4.600 302 HA PHE 51 HA PHE 51 12.732 6.397 -3.415 303 HB3 PHE 51 2HB PHE 51 11.814 6.887 -1.356 304 HD1 PHE 51 1HD PHE 51 9.257 4.257 -2.312 305 HD2 PHE 51 2HD PHE 51 10.056 8.072 -0.477 306 HE1 PHE 51 1HE PHE 51 6.873 4.470 -1.689 307 HE2 PHE 51 2HE PHE 51 7.680 8.221 0.236 308 HZ PHE 51 HZ PHE 51 6.084 6.419 -0.373 309 H ASP 52 H ASP 52 13.353 4.159 -3.344 310 HA ASP 52 HA ASP 52 11.659 2.380 -5.015 311 HB3 ASP 52 2HB ASP 52 14.227 1.457 -3.740 312 H TYR 53 H TYR 53 11.490 0.108 -4.120 313 HA TYR 53 HA TYR 53 11.461 -0.124 -1.250 314 HB3 TYR 53 2HB TYR 53 9.225 0.919 -1.647 315 HD1 TYR 53 2HD TYR 53 8.668 0.985 -4.195 316 HD2 TYR 53 1HD TYR 53 7.876 -2.436 -1.695 317 HE1 TYR 53 2HE TYR 53 6.944 0.200 -5.814 318 HE2 TYR 53 1HE TYR 53 6.161 -3.224 -3.310 319 HH TYR 53 HH TYR 53 5.460 -1.640 -6.405 320 H LYS 54 H LYS 54 11.025 -2.400 -0.477 321 HA LYS 54 HA LYS 54 10.733 -4.391 -2.610 322 HB3 LYS 54 2HB LYS 54 12.272 -5.916 -1.297 323 HG3 LYS 54 2HG LYS 54 14.473 -4.866 -1.880 324 HD3 LYS 54 2HD LYS 54 12.300 -4.810 -3.991 325 HE3 LYS 54 2HE LYS 54 15.289 -4.747 -4.495 326 HZ1 LYS 54 3HZ LYS 54 14.556 -4.192 -6.730 327 HZ2 LYS 54 1HZ LYS 54 12.986 -4.285 -6.286 328 HZ3 LYS 54 2HZ LYS 54 13.925 -5.634 -6.302 329 H ILE 55 H ILE 55 9.627 -6.218 -1.870 330 HA ILE 55 HA ILE 55 8.400 -5.950 0.813 331 HB ILE 55 HB ILE 55 7.518 -7.659 -1.519 332 HG13 ILE 55 2HG1 ILE 55 5.593 -6.194 -1.685 333 HG21 ILE 55 1HG2 ILE 55 5.499 -8.062 -0.139 334 HG22 ILE 55 2HG2 ILE 55 6.963 -8.771 0.532 335 HG23 ILE 55 3HG2 ILE 55 6.288 -7.272 1.214 336 HD11 ILE 55 3HD1 ILE 55 6.948 -4.233 0.184 337 HD12 ILE 55 1HD1 ILE 55 5.501 -3.931 -0.795 338 HD13 ILE 55 2HD1 ILE 55 5.433 -5.115 0.516 339 H GLU 56 H GLU 56 9.854 -6.930 2.187 340 HA GLU 56 HA GLU 56 10.333 -9.779 1.566 341 HB3 GLU 56 2HB GLU 56 12.616 -8.174 2.729 342 HG3 GLU 56 2HG GLU 56 12.207 -10.917 2.069 343 H GLU 57 H GLU 57 8.591 -8.363 3.411 344 HA GLU 57 HA GLU 57 8.704 -10.245 5.427 345 HB3 GLU 57 2HB GLU 57 8.790 -8.025 7.189 346 HG3 GLU 57 2HG GLU 57 11.417 -9.103 7.133 347 H GLY 58 H GLY 58 6.772 -8.778 3.532 348 HA2 GLY 58 1HA GLY 58 4.359 -8.474 3.688 349 HA3 GLY 58 2HA GLY 58 4.498 -8.864 5.348 350 H ARG 59 H ARG 59 6.644 -6.377 4.614 351 HA ARG 59 HA ARG 59 4.708 -4.187 5.315 352 HB3 ARG 59 2HB ARG 59 6.746 -3.191 6.586 353 HG3 ARG 59 2HG ARG 59 5.835 -5.887 7.660 354 HD3 ARG 59 2HD ARG 59 6.717 -3.328 9.063 355 HE ARG 59 HE ARG 59 5.174 -4.224 10.572 356 HH11 ARG 59 1HH1 ARG 59 7.863 -6.447 10.261 357 HH12 ARG 59 2HH1 ARG 59 7.065 -7.694 11.178 358 HH21 ARG 59 1HH2 ARG 59 4.047 -5.922 11.606 359 HH22 ARG 59 2HH2 ARG 59 4.963 -7.373 11.980 360 H ILE 60 H ILE 60 6.475 -1.991 4.791 361 HA ILE 60 HA ILE 60 7.454 -2.662 2.023 362 HB ILE 60 HB ILE 60 6.455 0.037 2.966 363 HG13 ILE 60 2HG1 ILE 60 4.604 -1.599 2.747 364 HG21 ILE 60 1HG2 ILE 60 8.285 -0.028 1.211 365 HG22 ILE 60 2HG2 ILE 60 7.209 -1.012 0.198 366 HG23 ILE 60 3HG2 ILE 60 6.773 0.659 0.611 367 HD11 ILE 60 3HD1 ILE 60 3.205 -0.476 1.192 368 HD12 ILE 60 1HD1 ILE 60 4.266 0.749 1.913 369 HD13 ILE 60 2HD1 ILE 60 4.585 0.133 0.264 370 H TYR 61 H TYR 61 9.559 -2.891 2.034 371 HA TYR 61 HA TYR 61 11.255 -1.605 4.074 372 HB3 TYR 61 2HB TYR 61 11.938 -3.425 1.738 373 HD1 TYR 61 1HD TYR 61 13.193 -2.374 5.138 374 HD2 TYR 61 2HD TYR 61 14.206 -3.298 1.041 375 HE1 TYR 61 1HE TYR 61 15.571 -2.056 5.667 376 HE2 TYR 61 2HE TYR 61 16.598 -2.953 1.552 377 HH TYR 61 HH TYR 61 17.709 -1.959 4.828 378 H ILE 62 H ILE 62 11.495 0.550 3.713 379 HA ILE 62 HA ILE 62 11.879 1.625 0.958 380 HB ILE 62 HB ILE 62 11.609 3.104 3.608 381 HG13 ILE 62 2HG1 ILE 62 9.345 3.737 3.066 382 HG21 ILE 62 1HG2 ILE 62 12.763 4.425 1.930 383 HG22 ILE 62 2HG2 ILE 62 11.504 4.113 0.732 384 HG23 ILE 62 3HG2 ILE 62 11.152 5.101 2.169 385 HD11 ILE 62 3HD1 ILE 62 8.025 2.572 1.335 386 HD12 ILE 62 1HD1 ILE 62 9.249 3.626 0.625 387 HD13 ILE 62 2HD1 ILE 62 9.516 1.871 0.663 388 H TYR 63 H TYR 63 14.006 2.337 0.459 389 HA TYR 63 HA TYR 63 16.067 2.462 2.550 390 HB3 TYR 63 2HB TYR 63 15.859 0.042 2.086 391 HD1 TYR 63 1HD TYR 63 14.110 -0.551 0.433 392 HD2 TYR 63 2HD TYR 63 17.997 0.823 -0.850 393 HE1 TYR 63 1HE TYR 63 13.661 -1.359 -1.846 394 HE2 TYR 63 2HE TYR 63 17.573 -0.051 -3.110 395 HH TYR 63 HH TYR 63 15.833 -0.884 -4.539 396 H ASP 64 H ASP 64 14.925 3.696 -0.414 397 HA ASP 64 HA ASP 64 17.416 5.066 -0.982 398 HB3 ASP 64 2HB ASP 64 15.929 3.307 -2.982 399 H VAL 65 H VAL 65 16.596 7.095 -0.775 400 HA VAL 65 HA VAL 65 13.902 7.724 -1.818 401 HB VAL 65 HB VAL 65 14.960 8.730 0.865 402 HG11 VAL 65 1HG1 VAL 65 13.378 10.273 -0.139 403 HG12 VAL 65 2HG1 VAL 65 12.238 8.972 -0.473 404 HG13 VAL 65 3HG1 VAL 65 12.589 9.450 1.205 405 HG21 VAL 65 3HG2 VAL 65 13.236 7.336 1.969 406 HG22 VAL 65 1HG2 VAL 65 12.987 6.481 0.436 407 HG23 VAL 65 2HG2 VAL 65 14.552 6.406 1.246 408 H TYR 66 H TYR 66 13.763 9.907 -2.525 409 HA TYR 66 HA TYR 66 16.145 11.662 -2.465 410 HB3 TYR 66 2HB TYR 66 15.394 9.933 -4.695 411 HD1 TYR 66 1HD TYR 66 13.143 10.781 -5.260 412 HD2 TYR 66 2HD TYR 66 16.731 13.050 -5.941 413 HE1 TYR 66 1HE TYR 66 11.893 12.270 -6.827 414 HE2 TYR 66 2HE TYR 66 15.522 14.552 -7.441 415 HH TYR 66 HH TYR 66 13.440 15.027 -8.465 416 HA PRO 67 HA PRO 67 16.464 13.661 -3.753 417 HB3 PRO 67 2HB PRO 67 15.551 15.612 -4.724 418 HG3 PRO 67 2HG PRO 67 13.788 16.833 -3.624 419 HD3 PRO 67 2HD PRO 67 12.972 14.656 -4.062 420 H ASP 68 H ASP 68 14.711 14.403 -0.797 421 HA ASP 68 HA ASP 68 17.222 14.534 0.783 422 HB3 ASP 68 2HB ASP 68 15.367 14.389 2.633 423 H GLU 69 H GLU 69 18.101 12.522 0.948 424 HA GLU 69 HA GLU 69 16.494 10.123 0.781 425 HB3 GLU 69 2HB GLU 69 18.684 10.016 -0.099 426 HG3 GLU 69 2HG GLU 69 19.570 11.197 2.508 427 H LYS 70 H LYS 70 16.315 8.558 2.533 428 HA LYS 70 HA LYS 70 16.930 9.500 5.267 429 HB3 LYS 70 2HB LYS 70 14.812 8.807 6.108 430 HG3 LYS 70 2HG LYS 70 13.241 9.513 3.840 431 HD3 LYS 70 2HD LYS 70 12.887 10.229 6.311 432 HE3 LYS 70 2HE LYS 70 15.196 11.987 5.408 433 HZ1 LYS 70 3HZ LYS 70 13.593 13.546 6.101 434 HZ2 LYS 70 1HZ LYS 70 14.696 13.409 7.302 435 HZ3 LYS 70 2HZ LYS 70 13.210 12.702 7.479 436 H THR 71 H THR 71 17.300 7.782 6.699 437 HA THR 71 HA THR 71 18.670 5.492 5.935 438 HB THR 71 HB THR 71 18.599 6.725 8.109 439 HG1 THR 71 1HG THR 71 18.261 4.220 9.040 440 HG21 THR 71 3HG2 THR 71 16.954 6.181 9.763 441 HG22 THR 71 1HG2 THR 71 16.214 4.949 8.708 442 HG23 THR 71 2HG2 THR 71 16.086 6.665 8.302 443 HA PRO 72 HA PRO 72 15.487 2.661 4.746 444 HB3 PRO 72 2HB PRO 72 17.115 1.168 3.967 445 HG3 PRO 72 2HG PRO 72 19.193 0.954 5.096 446 HD3 PRO 72 2HD PRO 72 18.808 3.266 4.643 447 H TYR 73 H TYR 73 13.791 1.301 5.510 448 HA TYR 73 HA TYR 73 13.764 0.134 8.129 449 HB3 TYR 73 2HB TYR 73 13.365 2.222 9.104 450 HD1 TYR 73 2HD TYR 73 10.398 2.323 6.753 451 HD2 TYR 73 1HD TYR 73 13.946 4.312 8.196 452 HE1 TYR 73 2HE TYR 73 9.882 4.310 5.351 453 HE2 TYR 73 1HE TYR 73 13.385 6.299 6.873 454 HH TYR 73 HH TYR 73 12.206 6.414 4.531 455 H TYR 74 H TYR 74 11.517 -0.799 8.578 456 HA TYR 74 HA TYR 74 10.119 -1.505 6.051 457 HB3 TYR 74 2HB TYR 74 9.197 -3.383 7.431 458 HD1 TYR 74 1HD TYR 74 12.825 -3.090 8.300 459 HD2 TYR 74 2HD TYR 74 9.916 -4.790 5.598 460 HE1 TYR 74 1HE TYR 74 14.566 -4.560 7.340 461 HE2 TYR 74 2HE TYR 74 11.661 -6.262 4.629 462 HH TYR 74 HH TYR 74 13.872 -7.096 4.949 463 H LEU 75 H LEU 75 8.369 -0.174 5.808 464 HA LEU 75 HA LEU 75 7.034 1.094 8.101 465 HB3 LEU 75 2HB LEU 75 5.449 1.923 6.333 466 HG LEU 75 HG LEU 75 8.349 2.489 5.604 467 HD11 LEU 75 1HD1 LEU 75 5.794 4.103 5.189 468 HD12 LEU 75 2HD1 LEU 75 6.708 3.231 3.936 469 HD13 LEU 75 3HD1 LEU 75 7.433 4.621 4.755 470 HD21 LEU 75 3HD2 LEU 75 8.133 3.003 7.965 471 HD22 LEU 75 1HD2 LEU 75 6.548 3.766 7.703 472 HD23 LEU 75 2HD2 LEU 75 8.030 4.531 7.091 473 H ASP 76 H ASP 76 5.717 -0.065 9.317 474 HA ASP 76 HA ASP 76 4.418 -2.500 8.678 475 HB3 ASP 76 2HB ASP 76 3.050 -1.887 10.708 476 H CYS 77 H CYS 77 2.722 -2.723 7.210 477 HA CYS 77 HA CYS 77 0.501 -0.938 7.566 478 HB3 CYS 77 2HB CYS 77 1.572 0.375 5.924 479 HG CYS 77 HG CYS 77 2.340 -0.156 3.531 480 H LYS 78 H LYS 78 -1.369 -1.590 6.510 481 HA LYS 78 HA LYS 78 -1.399 -4.478 5.673 482 HB3 LYS 78 2HB LYS 78 -3.362 -4.969 6.673 483 HG3 LYS 78 2HG LYS 78 -1.463 -4.029 8.453 484 HD3 LYS 78 2HD LYS 78 -4.149 -3.049 9.483 485 HE3 LYS 78 2HE LYS 78 -2.699 -1.550 10.854 486 HZ1 LYS 78 3HZ LYS 78 -1.668 -4.299 11.080 487 HZ2 LYS 78 1HZ LYS 78 -3.084 -3.752 11.785 488 HZ3 LYS 78 2HZ LYS 78 -1.597 -3.110 12.190 489 H ILE 79 H ILE 79 -3.229 -5.110 4.234 490 HA ILE 79 HA ILE 79 -4.523 -2.942 2.791 491 HB ILE 79 HB ILE 79 -2.371 -3.502 1.566 492 HG13 ILE 79 2HG1 ILE 79 -4.122 -2.362 0.397 493 HG21 ILE 79 1HG2 ILE 79 -2.431 -5.971 2.058 494 HG22 ILE 79 2HG2 ILE 79 -3.710 -6.139 0.838 495 HG23 ILE 79 3HG2 ILE 79 -2.100 -5.549 0.383 496 HD11 ILE 79 3HD1 ILE 79 -3.845 -4.823 -1.358 497 HD12 ILE 79 1HD1 ILE 79 -4.054 -3.171 -1.879 498 HD13 ILE 79 2HD1 ILE 79 -2.495 -3.663 -1.178 499 H SER 80 H SER 80 -6.548 -3.612 2.024 500 HA SER 80 HA SER 80 -7.397 -6.426 2.628 501 HB3 SER 80 2HB SER 80 -8.281 -4.948 4.260 502 HG SER 80 HG SER 80 -9.550 -3.126 3.447 503 H GLY 81 H GLY 81 -7.026 -4.264 0.054 504 HA2 GLY 81 1HA GLY 81 -7.806 -5.582 -2.083 505 HA3 GLY 81 2HA GLY 81 -9.414 -5.185 -1.451 506 H THR 82 H THR 82 -9.744 -2.764 -0.861 507 HA THR 82 HA THR 82 -8.144 -1.036 -2.666 508 HB THR 82 HB THR 82 -10.134 0.329 -3.049 509 HG1 THR 82 1HG THR 82 -11.762 -1.808 -2.195 510 HG21 THR 82 3HG2 THR 82 -11.167 -1.074 -4.718 511 HG22 THR 82 1HG2 THR 82 -10.490 -2.532 -3.962 512 HG23 THR 82 2HG2 THR 82 -9.412 -1.329 -4.708 513 H THR 83 H THR 83 -8.574 -1.656 0.577 514 HA THR 83 HA THR 83 -8.124 1.216 1.248 515 HB THR 83 HB THR 83 -8.541 -1.045 3.178 516 HG1 THR 83 1HG THR 83 -10.375 -1.043 1.876 517 HG21 THR 83 3HG2 THR 83 -7.729 1.169 4.047 518 HG22 THR 83 1HG2 THR 83 -9.304 0.696 4.702 519 HG23 THR 83 2HG2 THR 83 -9.203 1.924 3.412 520 H LEU 84 H LEU 84 -6.065 1.746 1.758 521 HA LEU 84 HA LEU 84 -4.009 -0.287 2.504 522 HB3 LEU 84 2HB LEU 84 -3.886 2.420 1.147 523 HG LEU 84 HG LEU 84 -2.110 2.619 2.783 524 HD11 LEU 84 1HD1 LEU 84 -1.388 -0.202 1.957 525 HD12 LEU 84 2HD1 LEU 84 -1.524 0.473 3.576 526 HD13 LEU 84 3HD1 LEU 84 -0.148 0.909 2.577 527 HD21 LEU 84 3HD2 LEU 84 -0.215 2.822 1.209 528 HD22 LEU 84 1HD2 LEU 84 -1.720 3.413 0.498 529 HD23 LEU 84 2HD2 LEU 84 -1.083 1.824 0.025 530 H LYS 85 H LYS 85 -3.399 -0.204 4.580 531 HA LYS 85 HA LYS 85 -4.051 2.197 6.253 532 HB3 LYS 85 2HB LYS 85 -4.228 -0.781 6.928 533 HG3 LYS 85 2HG LYS 85 -4.546 1.763 8.593 534 HD3 LYS 85 2HD LYS 85 -5.752 -0.970 9.243 535 HE3 LYS 85 2HE LYS 85 -5.778 1.746 10.639 536 HZ1 LYS 85 3HZ LYS 85 -7.886 0.388 10.783 537 HZ2 LYS 85 1HZ LYS 85 -7.146 0.770 12.220 538 HZ3 LYS 85 2HZ LYS 85 -7.031 -0.748 11.579 539 H VAL 86 H VAL 86 -1.981 3.151 6.360 540 HA VAL 86 HA VAL 86 0.272 1.352 7.085 541 HB VAL 86 HB VAL 86 0.355 4.298 6.407 542 HG11 VAL 86 1HG1 VAL 86 2.221 3.448 7.720 543 HG12 VAL 86 2HG1 VAL 86 2.593 2.235 6.490 544 HG13 VAL 86 3HG1 VAL 86 2.735 3.970 6.120 545 HG21 VAL 86 3HG2 VAL 86 1.175 3.715 4.219 546 HG22 VAL 86 1HG2 VAL 86 1.069 1.980 4.550 547 HG23 VAL 86 2HG2 VAL 86 -0.404 2.947 4.417 548 H GLU 87 H GLU 87 1.050 1.209 9.045 549 HA GLU 87 HA GLU 87 -0.346 2.563 11.242 550 HB3 GLU 87 2HB GLU 87 0.772 0.988 12.642 551 HG3 GLU 87 2HG GLU 87 0.306 -0.548 10.051 552 H THR 88 H THR 88 2.782 2.982 9.610 553 HA THR 88 HA THR 88 3.546 5.103 11.486 554 HB THR 88 HB THR 88 4.343 3.062 12.506 555 HG1 THR 88 1HG THR 88 6.467 4.638 11.527 556 HG21 THR 88 3HG2 THR 88 6.096 2.665 10.058 557 HG22 THR 88 1HG2 THR 88 4.656 1.710 10.443 558 HG23 THR 88 2HG2 THR 88 6.056 1.651 11.527 559 H GLY 89 H GLY 89 5.471 6.270 10.676 560 HA2 GLY 89 1HA GLY 89 6.984 6.843 8.846 561 HA3 GLY 89 2HA GLY 89 5.942 5.985 7.726 562 H SER 90 H SER 90 6.558 8.361 6.966 563 HA SER 90 HA SER 90 4.968 10.555 7.783 564 HB3 SER 90 2HB SER 90 5.581 11.528 5.639 565 HG SER 90 HG SER 90 7.705 9.963 6.750 566 H GLU 91 H GLU 91 4.180 7.801 5.843 567 HA GLU 91 HA GLU 91 1.728 8.923 4.767 568 HB3 GLU 91 2HB GLU 91 1.645 7.038 3.402 569 HG3 GLU 91 2HG GLU 91 3.581 8.949 3.286 570 H ALA 92 H ALA 92 2.250 7.756 7.658 571 HA ALA 92 HA ALA 92 0.417 5.691 8.240 572 HB1 ALA 92 1HB ALA 92 0.544 6.482 10.572 573 HB2 ALA 92 2HB ALA 92 2.151 6.414 9.822 574 HB3 ALA 92 3HB ALA 92 1.339 7.975 10.032 575 H GLY 93 H GLY 93 -1.666 5.749 7.714 576 HA2 GLY 93 1HA GLY 93 -3.553 7.725 8.646 577 HA3 GLY 93 2HA GLY 93 -3.121 8.035 6.967 578 H THR 94 H THR 94 -4.879 7.429 5.812 579 HA THR 94 HA THR 94 -5.812 4.681 5.851 580 HB THR 94 HB THR 94 -6.941 5.760 7.760 581 HG1 THR 94 1HG THR 94 -8.903 5.103 7.295 582 HG21 THR 94 3HG2 THR 94 -8.527 7.518 7.612 583 HG22 THR 94 1HG2 THR 94 -8.371 7.637 5.848 584 HG23 THR 94 2HG2 THR 94 -7.025 8.123 6.899 585 H TYR 95 H TYR 95 -5.825 4.260 3.640 586 HA TYR 95 HA TYR 95 -6.433 6.533 1.799 587 HB3 TYR 95 2HB TYR 95 -4.541 5.620 0.387 588 HD1 TYR 95 2HD TYR 95 -3.581 5.844 3.975 589 HD2 TYR 95 1HD TYR 95 -3.606 7.832 0.161 590 HE1 TYR 95 2HE TYR 95 -2.238 7.692 4.946 591 HE2 TYR 95 1HE TYR 95 -2.237 9.647 1.101 592 HH TYR 95 HH TYR 95 -0.573 9.792 2.990 593 H LYS 96 H LYS 96 -7.128 5.927 -0.275 594 HA LYS 96 HA LYS 96 -8.234 3.184 -0.422 595 HB3 LYS 96 2HB LYS 96 -10.028 4.205 -1.866 596 HG3 LYS 96 2HG LYS 96 -10.110 3.562 0.681 597 HD3 LYS 96 2HD LYS 96 -9.288 6.140 1.149 598 HE3 LYS 96 2HE LYS 96 -12.319 6.204 1.374 599 HZ1 LYS 96 3HZ LYS 96 -10.307 8.379 1.542 600 HZ2 LYS 96 1HZ LYS 96 -11.126 7.752 2.821 601 HZ3 LYS 96 2HZ LYS 96 -11.899 8.580 1.642 602 H LYS 97 H LYS 97 -8.007 2.139 -2.334 603 HA LYS 97 HA LYS 97 -5.951 2.817 -4.196 604 HB3 LYS 97 2HB LYS 97 -8.325 0.982 -4.705 605 HG3 LYS 97 2HG LYS 97 -5.439 1.260 -5.653 606 HD3 LYS 97 2HD LYS 97 -7.221 -1.007 -6.595 607 HE3 LYS 97 2HE LYS 97 -4.866 -2.003 -6.736 608 HZ1 LYS 97 3HZ LYS 97 -5.882 -0.838 -8.665 609 HZ2 LYS 97 1HZ LYS 97 -4.257 -0.879 -8.702 610 HZ3 LYS 97 2HZ LYS 97 -5.023 0.516 -8.263 611 H GLN 98 H GLN 98 -6.109 4.112 -6.060 612 HA GLN 98 HA GLN 98 -8.800 4.891 -7.056 613 HB3 GLN 98 2HB GLN 98 -8.031 7.178 -7.426 614 HG3 GLN 98 2HG GLN 98 -7.502 6.836 -4.509 615 HE21 GLN 98 1HE2 GLN 98 -10.204 8.029 -3.893 616 HE22 GLN 98 2HE2 GLN 98 -10.066 9.683 -4.443 617 H LYS 99 H LYS 99 -7.956 2.974 -8.317 618 HA LYS 99 HA LYS 99 -7.182 2.125 -10.287 619 HB3 LYS 99 2HB LYS 99 -6.037 4.805 -11.090 620 HG3 LYS 99 2HG LYS 99 -7.353 2.615 -12.736 621 HD3 LYS 99 2HD LYS 99 -6.187 5.361 -13.371 622 HE3 LYS 99 2HE LYS 99 -7.242 3.345 -15.389 623 HZ1 LYS 99 3HZ LYS 99 -6.993 5.736 -16.015 624 HZ2 LYS 99 1HZ LYS 99 -6.031 4.720 -16.881 625 HZ3 LYS 99 2HZ LYS 99 -5.390 5.635 -15.653 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -13.084 -8.008 15.397 2 HA2 GLY 1 1HA GLY 1 -11.488 -6.148 15.217 3 HA3 GLY 1 2HA GLY 1 -10.712 -7.712 14.856 4 H GLU 2 H GLU 2 -9.088 -6.665 13.422 5 HA GLU 2 HA GLU 2 -10.258 -6.030 10.753 6 HB3 GLU 2 2HB GLU 2 -8.368 -4.443 10.442 7 HG3 GLU 2 2HG GLU 2 -10.297 -3.500 12.581 8 H ASP 3 H ASP 3 -9.872 -7.850 9.782 9 HA ASP 3 HA ASP 3 -7.296 -9.202 10.182 10 HB3 ASP 3 2HB ASP 3 -8.300 -11.177 9.307 11 H TRP 4 H TRP 4 -6.001 -8.991 8.708 12 HA TRP 4 HA TRP 4 -6.624 -7.617 6.148 13 HB3 TRP 4 2HB TRP 4 -4.213 -6.935 6.336 14 HD1 TRP 4 HD TRP 4 -5.333 -6.060 9.789 15 HE1 TRP 4 1HE TRP 4 -6.303 -3.686 9.860 16 HE3 TRP 4 3HE TRP 4 -6.056 -5.601 4.930 17 HZ2 TRP 4 2HZ TRP 4 -7.559 -1.795 7.720 18 HZ3 TRP 4 3HZ TRP 4 -7.119 -3.606 3.893 19 HH2 TRP 4 HH TRP 4 -7.950 -1.759 5.349 20 H THR 5 H THR 5 -4.921 -8.137 4.312 21 HA THR 5 HA THR 5 -4.518 -11.073 4.167 22 HB THR 5 HB THR 5 -3.716 -10.594 1.850 23 HG1 THR 5 1HG THR 5 -3.871 -8.058 2.601 24 HG21 THR 5 3HG2 THR 5 -6.007 -11.331 2.199 25 HG22 THR 5 1HG2 THR 5 -5.843 -10.238 0.821 26 HG23 THR 5 2HG2 THR 5 -6.560 -9.660 2.350 27 H GLU 6 H GLU 6 -2.395 -11.782 3.466 28 HA GLU 6 HA GLU 6 -0.036 -10.530 4.462 29 HB3 GLU 6 2HB GLU 6 0.914 -11.795 2.353 30 HG3 GLU 6 2HG GLU 6 1.190 -12.403 4.756 31 H LEU 7 H LEU 7 0.847 -8.624 3.801 32 HA LEU 7 HA LEU 7 0.299 -7.396 1.310 33 HB3 LEU 7 2HB LEU 7 2.897 -6.822 2.405 34 HG LEU 7 HG LEU 7 0.446 -5.471 1.912 35 HD11 LEU 7 1HD1 LEU 7 1.767 -4.917 4.582 36 HD12 LEU 7 2HD1 LEU 7 0.181 -5.712 4.444 37 HD13 LEU 7 3HD1 LEU 7 0.371 -4.002 3.932 38 HD21 LEU 7 3HD2 LEU 7 3.103 -4.506 2.776 39 HD22 LEU 7 1HD2 LEU 7 1.768 -3.481 2.127 40 HD23 LEU 7 2HD2 LEU 7 2.507 -4.770 1.097 41 H ASN 8 H ASN 8 1.282 -7.695 -0.568 42 HA ASN 8 HA ASN 8 3.828 -8.959 -0.666 43 HB3 ASN 8 2HB ASN 8 3.276 -10.354 -2.640 44 HD21 ASN 8 1HD2 ASN 8 0.148 -10.523 -0.885 45 HD22 ASN 8 2HD2 ASN 8 0.477 -12.112 -0.231 46 H SER 9 H SER 9 4.787 -8.396 -2.908 47 HA SER 9 HA SER 9 4.494 -5.732 -3.601 48 HB3 SER 9 2HB SER 9 5.198 -8.018 -5.488 49 HG SER 9 HG SER 9 6.431 -6.329 -6.486 50 H ASN 10 H ASN 10 2.879 -8.499 -5.286 51 HA ASN 10 HA ASN 10 1.606 -6.808 -7.151 52 HB3 ASN 10 2HB ASN 10 0.239 -8.682 -7.838 53 HD21 ASN 10 1HD2 ASN 10 2.614 -7.935 -9.052 54 HD22 ASN 10 2HD2 ASN 10 3.792 -9.201 -8.932 55 H ASN 11 H ASN 11 0.745 -7.242 -3.880 56 HA ASN 11 HA ASN 11 -2.118 -6.646 -4.177 57 HB3 ASN 11 2HB ASN 11 -2.089 -6.486 -1.690 58 HD21 ASN 11 1HD2 ASN 11 -1.317 -8.929 -0.269 59 HD22 ASN 11 2HD2 ASN 11 -2.093 -10.122 -1.256 60 H ILE 12 H ILE 12 0.926 -4.924 -3.258 61 HA ILE 12 HA ILE 12 -0.615 -2.640 -2.345 62 HB ILE 12 HB ILE 12 1.368 -3.334 -1.175 63 HG13 ILE 12 2HG1 ILE 12 1.532 -0.537 -2.342 64 HG21 ILE 12 1HG2 ILE 12 2.802 -4.229 -2.826 65 HG22 ILE 12 2HG2 ILE 12 2.959 -2.656 -3.668 66 HG23 ILE 12 3HG2 ILE 12 3.637 -2.919 -2.051 67 HD11 ILE 12 3HD1 ILE 12 -0.337 -0.891 -0.756 68 HD12 ILE 12 1HD1 ILE 12 0.799 -1.618 0.421 69 HD13 ILE 12 2HD1 ILE 12 0.953 0.094 -0.024 70 H ILE 13 H ILE 13 0.830 -3.527 -5.375 71 HA ILE 13 HA ILE 13 1.424 -1.261 -6.698 72 HB ILE 13 HB ILE 13 -0.284 -3.474 -7.891 73 HG13 ILE 13 2HG1 ILE 13 1.853 -4.609 -8.505 74 HG21 ILE 13 1HG2 ILE 13 0.054 -1.649 -9.462 75 HG22 ILE 13 2HG2 ILE 13 1.804 -1.682 -9.186 76 HG23 ILE 13 3HG2 ILE 13 0.997 -3.056 -9.966 77 HD11 ILE 13 3HD1 ILE 13 3.824 -4.299 -7.175 78 HD12 ILE 13 1HD1 ILE 13 3.426 -2.703 -7.846 79 HD13 ILE 13 2HD1 ILE 13 3.057 -3.071 -6.155 80 H GLY 14 H GLY 14 0.448 0.623 -7.294 81 HA2 GLY 14 1HA GLY 14 -1.380 1.276 -8.827 82 HA3 GLY 14 2HA GLY 14 -2.524 0.715 -7.609 83 H TYR 15 H TYR 15 -3.083 3.065 -8.238 84 HA TYR 15 HA TYR 15 -1.819 5.229 -6.748 85 HB3 TYR 15 2HB TYR 15 -4.242 6.178 -7.169 86 HD1 TYR 15 1HD TYR 15 -1.074 5.552 -8.738 87 HD2 TYR 15 2HD TYR 15 -5.010 7.235 -9.378 88 HE1 TYR 15 1HE TYR 15 -0.137 7.079 -10.362 89 HE2 TYR 15 2HE TYR 15 -4.095 8.700 -11.133 90 HH TYR 15 HH TYR 15 -0.598 8.734 -11.998 91 H TRP 16 H TRP 16 -2.434 6.114 -4.831 92 HA TRP 16 HA TRP 16 -4.678 4.901 -3.309 93 HB3 TRP 16 2HB TRP 16 -3.224 5.039 -1.304 94 HD1 TRP 16 HD TRP 16 -0.541 3.654 -3.556 95 HE1 TRP 16 1HE TRP 16 -0.527 1.109 -3.447 96 HE3 TRP 16 3HE TRP 16 -4.990 2.969 -1.158 97 HZ2 TRP 16 2HZ TRP 16 -2.271 -0.985 -2.452 98 HZ3 TRP 16 3HZ TRP 16 -5.819 0.621 -0.691 99 HH2 TRP 16 HH TRP 16 -4.531 -1.278 -1.336 100 H SER 17 H SER 17 -6.101 6.549 -2.823 101 HA SER 17 HA SER 17 -5.040 9.308 -2.431 102 HB3 SER 17 2HB SER 17 -7.740 8.522 -3.590 103 HG SER 17 HG SER 17 -7.753 10.754 -4.150 104 H THR 18 H THR 18 -6.785 10.577 -1.218 105 HA THR 18 HA THR 18 -8.008 9.062 1.010 106 HB THR 18 HB THR 18 -5.540 9.592 1.386 107 HG1 THR 18 1HG THR 18 -6.741 8.977 3.070 108 HG21 THR 18 3HG2 THR 18 -6.500 12.400 2.002 109 HG22 THR 18 1HG2 THR 18 -5.564 11.934 0.562 110 HG23 THR 18 2HG2 THR 18 -4.853 11.745 2.170 111 H GLY 19 H GLY 19 -8.390 11.376 -1.341 112 HA2 GLY 19 1HA GLY 19 -10.694 12.495 -1.139 113 HA3 GLY 19 2HA GLY 19 -9.908 13.348 0.210 114 H ILE 20 H ILE 20 -10.656 14.957 -1.809 115 HA ILE 20 HA ILE 20 -8.113 15.602 -3.234 116 HB ILE 20 HB ILE 20 -9.480 16.243 -5.166 117 HG13 ILE 20 2HG1 ILE 20 -11.678 16.339 -3.608 118 HG21 ILE 20 1HG2 ILE 20 -9.865 13.318 -4.411 119 HG22 ILE 20 2HG2 ILE 20 -9.737 14.032 -6.025 120 HG23 ILE 20 3HG2 ILE 20 -8.338 14.037 -4.965 121 HD11 ILE 20 3HD1 ILE 20 -13.082 16.149 -5.614 122 HD12 ILE 20 1HD1 ILE 20 -11.626 17.124 -5.901 123 HD13 ILE 20 2HD1 ILE 20 -11.709 15.463 -6.511 124 H GLU 21 H GLU 21 -9.713 16.735 -0.782 125 HA GLU 21 HA GLU 21 -9.844 19.600 -1.653 126 HB3 GLU 21 2HB GLU 21 -11.425 19.848 0.262 127 HG3 GLU 21 2HG GLU 21 -12.405 17.659 -1.567 128 H GLY 22 H GLY 22 -9.833 20.853 0.631 129 HA2 GLY 22 1HA GLY 22 -8.659 21.654 2.396 130 HA3 GLY 22 2HA GLY 22 -9.051 20.008 2.871 131 H THR 23 H THR 23 -7.301 18.430 2.907 132 HA THR 23 HA THR 23 -4.677 19.202 1.948 133 HB THR 23 HB THR 23 -4.882 18.187 4.806 134 HG1 THR 23 1HG THR 23 -5.735 20.115 4.976 135 HG21 THR 23 3HG2 THR 23 -2.648 19.581 3.270 136 HG22 THR 23 1HG2 THR 23 -2.769 17.824 3.520 137 HG23 THR 23 2HG2 THR 23 -2.537 18.922 4.908 138 H HIS 24 H HIS 24 -4.659 17.492 0.466 139 HA HIS 24 HA HIS 24 -5.287 14.815 1.543 140 HB3 HIS 24 2HB HIS 24 -7.047 15.489 -0.010 141 HD1 HIS 24 1HD HIS 24 -6.839 17.919 -1.211 142 HD2 HIS 24 2HD HIS 24 -4.687 14.725 -2.896 143 HE1 HIS 24 1HE HIS 24 -6.150 18.668 -3.568 144 H LYS 25 H LYS 25 -4.200 13.141 -0.054 145 HA LYS 25 HA LYS 25 -1.512 13.948 -0.810 146 HB3 LYS 25 2HB LYS 25 -0.454 12.342 0.657 147 HG3 LYS 25 2HG LYS 25 -2.209 14.116 2.400 148 HD3 LYS 25 2HD LYS 25 0.562 12.955 2.827 149 HE3 LYS 25 2HE LYS 25 -1.032 14.803 4.649 150 HZ1 LYS 25 3HZ LYS 25 0.812 13.472 5.610 151 HZ2 LYS 25 1HZ LYS 25 1.121 15.118 5.679 152 HZ3 LYS 25 2HZ LYS 25 1.859 14.159 4.605 153 H LEU 26 H LEU 26 -0.549 12.192 -2.033 154 HA LEU 26 HA LEU 26 -2.432 10.139 -3.033 155 HB3 LEU 26 2HB LEU 26 -0.605 11.503 -4.997 156 HG LEU 26 HG LEU 26 -2.389 11.307 -6.601 157 HD11 LEU 26 1HD1 LEU 26 -2.430 8.650 -5.176 158 HD12 LEU 26 2HD1 LEU 26 -1.043 9.236 -6.118 159 HD13 LEU 26 3HD1 LEU 26 -2.617 8.983 -6.900 160 HD21 LEU 26 3HD2 LEU 26 -4.284 11.849 -5.114 161 HD22 LEU 26 1HD2 LEU 26 -4.192 10.231 -4.403 162 HD23 LEU 26 2HD2 LEU 26 -4.600 10.433 -6.122 163 H LEU 27 H LEU 27 -1.278 8.223 -3.611 164 HA LEU 27 HA LEU 27 1.652 8.399 -3.713 165 HB3 LEU 27 2HB LEU 27 1.815 6.076 -2.787 166 HG LEU 27 HG LEU 27 1.518 8.456 -1.172 167 HD11 LEU 27 1HD1 LEU 27 0.618 5.856 0.138 168 HD12 LEU 27 2HD1 LEU 27 -0.439 7.223 -0.215 169 HD13 LEU 27 3HD1 LEU 27 0.890 7.405 0.962 170 HD21 LEU 27 3HD2 LEU 27 3.611 7.077 -1.589 171 HD22 LEU 27 1HD2 LEU 27 2.971 5.875 -0.464 172 HD23 LEU 27 2HD2 LEU 27 3.311 7.531 0.092 173 H SER 28 H SER 28 2.521 6.691 -5.048 174 HA SER 28 HA SER 28 0.581 4.962 -6.403 175 HB3 SER 28 2HB SER 28 0.833 6.714 -7.946 176 HG SER 28 HG SER 28 3.533 6.230 -8.363 177 H PHE 29 H PHE 29 1.499 3.044 -7.158 178 HA PHE 29 HA PHE 29 4.219 2.280 -6.214 179 HB3 PHE 29 2HB PHE 29 3.102 0.071 -5.498 180 HD1 PHE 29 1HD PHE 29 1.670 3.256 -4.060 181 HD2 PHE 29 2HD PHE 29 4.256 -0.136 -3.472 182 HE1 PHE 29 1HE PHE 29 2.406 4.189 -1.961 183 HE2 PHE 29 2HE PHE 29 4.774 0.662 -1.198 184 HZ PHE 29 HZ PHE 29 3.886 2.848 -0.409 185 H ASP 30 H ASP 30 5.226 1.302 -8.013 186 HA ASP 30 HA ASP 30 3.511 0.075 -10.078 187 HB3 ASP 30 2HB ASP 30 5.621 0.361 -11.371 188 H GLU 31 H GLU 31 4.569 -1.929 -10.997 189 HA GLU 31 HA GLU 31 5.405 -3.495 -8.615 190 HB3 GLU 31 2HB GLU 31 3.359 -3.942 -10.123 191 HG3 GLU 31 2HG GLU 31 5.433 -5.615 -11.582 192 H ASP 32 H ASP 32 6.819 -2.357 -11.579 193 HA ASP 32 HA ASP 32 9.158 -4.147 -11.046 194 HB3 ASP 32 2HB ASP 32 8.646 -3.186 -13.812 195 H GLY 33 H GLY 33 8.059 -1.029 -11.005 196 HA2 GLY 33 1HA GLY 33 10.746 0.192 -11.450 197 HA3 GLY 33 2HA GLY 33 9.196 1.035 -11.579 198 H THR 34 H THR 34 8.663 2.241 -9.814 199 HA THR 34 HA THR 34 9.402 1.612 -7.074 200 HB THR 34 HB THR 34 10.480 3.855 -6.865 201 HG1 THR 34 1HG THR 34 10.948 5.047 -8.654 202 HG21 THR 34 3HG2 THR 34 12.643 3.313 -7.760 203 HG22 THR 34 1HG2 THR 34 11.956 2.288 -9.026 204 HG23 THR 34 2HG2 THR 34 11.877 1.775 -7.331 205 H GLY 35 H GLY 35 8.363 3.702 -5.775 206 HA2 GLY 35 1HA GLY 35 5.664 4.090 -6.993 207 HA3 GLY 35 2HA GLY 35 6.053 4.089 -5.287 208 H SER 36 H SER 36 4.719 6.141 -5.411 209 HA SER 36 HA SER 36 6.721 8.260 -5.278 210 HB3 SER 36 2HB SER 36 5.692 9.889 -6.642 211 HG SER 36 HG SER 36 6.576 7.697 -7.692 212 H PHE 37 H PHE 37 5.815 10.198 -4.179 213 HA PHE 37 HA PHE 37 3.262 9.787 -2.749 214 HB3 PHE 37 2HB PHE 37 5.979 10.260 -1.497 215 HD1 PHE 37 1HD PHE 37 2.338 10.677 -0.797 216 HD2 PHE 37 2HD PHE 37 6.274 10.331 0.928 217 HE1 PHE 37 1HE PHE 37 1.490 11.518 1.332 218 HE2 PHE 37 2HE PHE 37 5.447 11.295 3.030 219 HZ PHE 37 HZ PHE 37 3.030 11.869 3.271 220 H GLY 38 H GLY 38 2.134 11.694 -2.961 221 HA2 GLY 38 1HA GLY 38 3.698 14.240 -2.978 222 HA3 GLY 38 2HA GLY 38 2.335 13.958 -4.064 223 H ILE 39 H ILE 39 2.354 16.078 -2.239 224 HA ILE 39 HA ILE 39 0.240 15.399 -0.306 225 HB ILE 39 HB ILE 39 2.719 17.037 0.393 226 HG13 ILE 39 2HG1 ILE 39 3.155 14.602 0.473 227 HG21 ILE 39 1HG2 ILE 39 0.882 18.138 1.378 228 HG22 ILE 39 2HG2 ILE 39 0.147 16.637 1.938 229 HG23 ILE 39 3HG2 ILE 39 1.655 17.256 2.669 230 HD11 ILE 39 3HD1 ILE 39 4.188 16.046 2.260 231 HD12 ILE 39 1HD1 ILE 39 2.878 15.524 3.345 232 HD13 ILE 39 2HD1 ILE 39 3.991 14.332 2.668 233 H TYR 40 H TYR 40 -1.288 17.047 -0.227 234 HA TYR 40 HA TYR 40 -0.807 19.373 -1.985 235 HB3 TYR 40 2HB TYR 40 -3.150 18.983 -2.760 236 HD1 TYR 40 2HD TYR 40 -1.753 15.528 -2.493 237 HD2 TYR 40 1HD TYR 40 -2.026 19.118 -4.855 238 HE1 TYR 40 2HE TYR 40 -0.560 14.392 -4.347 239 HE2 TYR 40 1HE TYR 40 -0.912 17.974 -6.740 240 HH TYR 40 HH TYR 40 0.032 14.576 -6.656 241 H SER 41 H SER 41 -2.124 21.161 -1.554 242 HA SER 41 HA SER 41 -3.747 21.249 0.945 243 HB3 SER 41 2HB SER 41 -3.055 23.793 0.648 244 HG SER 41 HG SER 41 -2.455 22.537 2.486 245 H ASN 42 H ASN 42 -5.747 21.457 0.310 246 HA ASN 42 HA ASN 42 -7.576 21.537 -0.905 247 HB3 ASN 42 2HB ASN 42 -6.810 24.297 -1.858 248 HD21 ASN 42 1HD2 ASN 42 -9.238 23.620 0.637 249 HD22 ASN 42 2HD2 ASN 42 -10.594 23.619 -0.443 250 H ALA 43 H ALA 43 -5.605 23.348 -3.154 251 HA ALA 43 HA ALA 43 -5.987 21.273 -5.260 252 HB1 ALA 43 1HB ALA 43 -6.806 22.879 -6.902 253 HB2 ALA 43 2HB ALA 43 -7.880 22.875 -5.495 254 HB3 ALA 43 3HB ALA 43 -6.712 24.201 -5.719 255 H THR 44 H THR 44 -3.617 22.262 -3.670 256 HA THR 44 HA THR 44 -1.846 23.006 -5.935 257 HB THR 44 HB THR 44 -1.813 24.040 -3.059 258 HG1 THR 44 1HG THR 44 -2.734 25.819 -3.787 259 HG21 THR 44 3HG2 THR 44 0.430 24.026 -4.260 260 HG22 THR 44 1HG2 THR 44 -0.150 25.639 -3.852 261 HG23 THR 44 2HG2 THR 44 -0.292 25.042 -5.522 262 HA PRO 45 HA PRO 45 0.503 19.524 -4.017 263 HB3 PRO 45 2HB PRO 45 1.159 18.861 -6.145 264 HG3 PRO 45 2HG PRO 45 1.426 20.441 -7.891 265 HD3 PRO 45 2HD PRO 45 -0.698 21.008 -7.071 266 H ILE 46 H ILE 46 1.821 19.671 -2.305 267 HA ILE 46 HA ILE 46 3.655 22.000 -1.968 268 HB ILE 46 HB ILE 46 2.102 20.722 0.288 269 HG13 ILE 46 2HG1 ILE 46 0.463 22.440 0.318 270 HG21 ILE 46 1HG2 ILE 46 3.511 23.416 0.010 271 HG22 ILE 46 2HG2 ILE 46 2.513 22.933 1.396 272 HG23 ILE 46 3HG2 ILE 46 4.002 22.073 1.041 273 HD11 ILE 46 3HD1 ILE 46 0.085 23.999 -1.592 274 HD12 ILE 46 1HD1 ILE 46 1.494 24.417 -0.615 275 HD13 ILE 46 2HD1 ILE 46 1.715 23.628 -2.185 276 H SER 47 H SER 47 3.620 18.622 -2.299 277 HA SER 47 HA SER 47 6.386 18.643 -1.455 278 HB3 SER 47 2HB SER 47 4.577 16.442 -0.383 279 HG SER 47 HG SER 47 6.324 15.432 0.027 280 H PHE 48 H PHE 48 7.284 16.515 -2.126 281 HA PHE 48 HA PHE 48 5.994 14.770 -3.904 282 HB3 PHE 48 2HB PHE 48 7.878 16.750 -5.261 283 HD1 PHE 48 1HD PHE 48 5.704 13.688 -5.837 284 HD2 PHE 48 2HD PHE 48 8.982 16.144 -7.235 285 HE1 PHE 48 1HE PHE 48 6.212 12.031 -7.597 286 HE2 PHE 48 2HE PHE 48 9.460 14.475 -9.009 287 HZ PHE 48 HZ PHE 48 8.084 12.417 -9.178 288 H GLN 49 H GLN 49 7.264 12.883 -4.009 289 HA GLN 49 HA GLN 49 10.126 12.932 -3.985 290 HB3 GLN 49 2HB GLN 49 9.786 13.097 -1.557 291 HG3 GLN 49 2HG GLN 49 8.245 10.494 -1.747 292 HE21 GLN 49 1HE2 GLN 49 9.430 9.568 0.017 293 HE22 GLN 49 2HE2 GLN 49 9.191 10.125 1.663 294 H MET 50 H MET 50 10.885 10.610 -4.419 295 HA MET 50 HA MET 50 8.780 8.668 -4.975 296 HB3 MET 50 2HB MET 50 10.059 7.906 -6.932 297 HG3 MET 50 2HG MET 50 9.302 10.824 -7.307 298 HE1 MET 50 3HE MET 50 11.177 9.550 -10.653 299 HE2 MET 50 1HE MET 50 11.337 10.594 -9.219 300 HE3 MET 50 2HE MET 50 11.521 8.830 -9.076 301 H PHE 51 H PHE 51 9.684 6.459 -4.773 302 HA PHE 51 HA PHE 51 12.271 6.039 -3.800 303 HB3 PHE 51 2HB PHE 51 11.703 6.967 -1.731 304 HD1 PHE 51 1HD PHE 51 9.384 8.256 -2.129 305 HD2 PHE 51 2HD PHE 51 9.885 4.418 -0.280 306 HE1 PHE 51 1HE PHE 51 7.342 8.639 -0.778 307 HE2 PHE 51 2HE PHE 51 7.939 4.905 1.224 308 HZ PHE 51 HZ PHE 51 6.651 7.006 0.942 309 H ASP 52 H ASP 52 12.615 3.778 -3.362 310 HA ASP 52 HA ASP 52 10.625 1.991 -4.684 311 HB3 ASP 52 2HB ASP 52 13.412 1.256 -3.690 312 H TYR 53 H TYR 53 10.395 -0.173 -3.545 313 HA TYR 53 HA TYR 53 10.574 -0.043 -0.587 314 HB3 TYR 53 2HB TYR 53 8.368 -0.696 -0.234 315 HD1 TYR 53 1HD TYR 53 7.620 0.190 -3.747 316 HD2 TYR 53 2HD TYR 53 7.978 1.717 0.266 317 HE1 TYR 53 1HE TYR 53 6.521 2.249 -4.449 318 HE2 TYR 53 2HE TYR 53 6.788 3.770 -0.415 319 HH TYR 53 HH TYR 53 6.114 5.040 -2.174 320 H LYS 54 H LYS 54 10.417 -2.222 0.384 321 HA LYS 54 HA LYS 54 10.302 -4.488 -1.520 322 HB3 LYS 54 2HB LYS 54 11.831 -5.821 -0.026 323 HG3 LYS 54 2HG LYS 54 13.973 -4.314 -0.361 324 HD3 LYS 54 2HD LYS 54 13.625 -6.311 -1.725 325 HE3 LYS 54 2HE LYS 54 11.777 -4.487 -3.286 326 HZ1 LYS 54 3HZ LYS 54 13.374 -6.706 -4.373 327 HZ2 LYS 54 1HZ LYS 54 13.139 -5.152 -4.979 328 HZ3 LYS 54 2HZ LYS 54 11.946 -6.258 -5.038 329 H ILE 55 H ILE 55 8.629 -5.684 -1.012 330 HA ILE 55 HA ILE 55 7.395 -5.484 1.710 331 HB ILE 55 HB ILE 55 6.211 -6.991 -0.638 332 HG13 ILE 55 2HG1 ILE 55 4.741 -5.138 -1.138 333 HG21 ILE 55 1HG2 ILE 55 4.984 -5.898 1.975 334 HG22 ILE 55 2HG2 ILE 55 4.091 -6.597 0.623 335 HG23 ILE 55 3HG2 ILE 55 5.249 -7.577 1.517 336 HD11 ILE 55 3HD1 ILE 55 5.266 -2.868 -0.297 337 HD12 ILE 55 1HD1 ILE 55 4.842 -3.940 1.052 338 HD13 ILE 55 2HD1 ILE 55 6.530 -3.536 0.755 339 H GLU 56 H GLU 56 8.852 -6.659 2.920 340 HA GLU 56 HA GLU 56 9.436 -9.464 2.029 341 HB3 GLU 56 2HB GLU 56 11.492 -7.624 3.296 342 HG3 GLU 56 2HG GLU 56 11.612 -9.929 1.277 343 H GLU 57 H GLU 57 7.655 -8.346 3.990 344 HA GLU 57 HA GLU 57 7.829 -10.318 5.889 345 HB3 GLU 57 2HB GLU 57 8.083 -8.158 7.735 346 HG3 GLU 57 2HG GLU 57 9.779 -10.615 7.232 347 H GLY 58 H GLY 58 5.979 -8.512 4.206 348 HA2 GLY 58 1HA GLY 58 3.743 -7.950 4.394 349 HA3 GLY 58 2HA GLY 58 3.729 -8.485 6.075 350 H ARG 59 H ARG 59 6.254 -6.323 5.288 351 HA ARG 59 HA ARG 59 4.866 -3.879 6.195 352 HB3 ARG 59 2HB ARG 59 6.891 -3.368 7.610 353 HG3 ARG 59 2HG ARG 59 5.633 -6.029 8.380 354 HD3 ARG 59 2HD ARG 59 6.526 -3.789 10.224 355 HE ARG 59 HE ARG 59 6.321 -6.663 10.892 356 HH11 ARG 59 1HH1 ARG 59 4.940 -3.452 11.551 357 HH12 ARG 59 2HH1 ARG 59 3.508 -4.050 12.313 358 HH21 ARG 59 1HH2 ARG 59 4.559 -7.455 12.120 359 HH22 ARG 59 2HH2 ARG 59 3.291 -6.410 12.652 360 H ILE 60 H ILE 60 6.372 -1.980 5.662 361 HA ILE 60 HA ILE 60 7.337 -2.444 2.879 362 HB ILE 60 HB ILE 60 5.985 -0.117 4.282 363 HG13 ILE 60 2HG1 ILE 60 4.599 -1.998 3.345 364 HG21 ILE 60 1HG2 ILE 60 7.059 -0.094 1.439 365 HG22 ILE 60 2HG2 ILE 60 6.256 1.241 2.293 366 HG23 ILE 60 3HG2 ILE 60 7.850 0.712 2.811 367 HD11 ILE 60 3HD1 ILE 60 3.771 0.417 3.264 368 HD12 ILE 60 1HD1 ILE 60 4.303 0.438 1.560 369 HD13 ILE 60 2HD1 ILE 60 3.048 -0.700 2.070 370 H TYR 61 H TYR 61 9.415 -2.710 2.916 371 HA TYR 61 HA TYR 61 11.237 -1.342 4.829 372 HB3 TYR 61 2HB TYR 61 11.673 -3.381 2.626 373 HD1 TYR 61 1HD TYR 61 13.783 -2.238 1.792 374 HD2 TYR 61 2HD TYR 61 13.295 -3.447 5.873 375 HE1 TYR 61 1HE TYR 61 16.244 -2.188 2.096 376 HE2 TYR 61 2HE TYR 61 15.741 -3.312 6.232 377 HH TYR 61 HH TYR 61 17.938 -2.059 3.807 378 H ILE 62 H ILE 62 12.149 0.566 4.247 379 HA ILE 62 HA ILE 62 11.946 1.576 1.434 380 HB ILE 62 HB ILE 62 12.574 3.066 4.032 381 HG13 ILE 62 2HG1 ILE 62 10.278 3.986 3.923 382 HG21 ILE 62 1HG2 ILE 62 13.395 4.343 2.172 383 HG22 ILE 62 2HG2 ILE 62 11.904 4.095 1.238 384 HG23 ILE 62 3HG2 ILE 62 11.900 5.105 2.698 385 HD11 ILE 62 3HD1 ILE 62 9.711 3.424 1.576 386 HD12 ILE 62 1HD1 ILE 62 9.661 1.715 2.011 387 HD13 ILE 62 2HD1 ILE 62 8.512 2.869 2.743 388 H TYR 63 H TYR 63 14.000 2.412 0.428 389 HA TYR 63 HA TYR 63 16.406 2.372 2.045 390 HB3 TYR 63 2HB TYR 63 16.214 -0.021 1.671 391 HD1 TYR 63 1HD TYR 63 13.994 -0.172 -0.042 392 HD2 TYR 63 2HD TYR 63 18.182 -0.166 -1.184 393 HE1 TYR 63 1HE TYR 63 13.446 -1.411 -2.062 394 HE2 TYR 63 2HE TYR 63 17.618 -1.434 -3.203 395 HH TYR 63 HH TYR 63 14.360 -1.875 -4.242 396 H ASP 64 H ASP 64 14.853 3.313 -0.875 397 HA ASP 64 HA ASP 64 17.175 4.905 -1.726 398 HB3 ASP 64 2HB ASP 64 15.536 3.039 -3.470 399 H VAL 65 H VAL 65 16.380 6.784 -1.219 400 HA VAL 65 HA VAL 65 13.666 7.575 -2.144 401 HB VAL 65 HB VAL 65 15.147 8.701 0.282 402 HG11 VAL 65 1HG1 VAL 65 13.530 10.283 -0.643 403 HG12 VAL 65 2HG1 VAL 65 12.261 9.040 -0.652 404 HG13 VAL 65 3HG1 VAL 65 12.926 9.654 0.882 405 HG21 VAL 65 3HG2 VAL 65 14.570 6.412 0.874 406 HG22 VAL 65 1HG2 VAL 65 13.490 7.517 1.715 407 HG23 VAL 65 2HG2 VAL 65 12.910 6.633 0.286 408 H TYR 66 H TYR 66 13.541 9.675 -3.102 409 HA TYR 66 HA TYR 66 16.060 11.196 -3.413 410 HB3 TYR 66 2HB TYR 66 14.966 9.566 -5.487 411 HD1 TYR 66 2HD TYR 66 12.566 10.579 -5.707 412 HD2 TYR 66 1HD TYR 66 16.145 12.527 -7.075 413 HE1 TYR 66 2HE TYR 66 11.187 12.142 -7.076 414 HE2 TYR 66 1HE TYR 66 14.818 14.086 -8.420 415 HH TYR 66 HH TYR 66 12.691 14.941 -8.723 416 HA PRO 67 HA PRO 67 16.325 13.065 -4.917 417 HB3 PRO 67 2HB PRO 67 15.453 15.084 -5.756 418 HG3 PRO 67 2HG PRO 67 14.275 16.612 -4.257 419 HD3 PRO 67 2HD PRO 67 13.106 14.539 -4.526 420 H ASP 68 H ASP 68 15.585 13.573 -1.611 421 HA ASP 68 HA ASP 68 18.485 13.772 -0.862 422 HB3 ASP 68 2HB ASP 68 17.253 14.153 1.457 423 H GLU 69 H GLU 69 19.177 11.705 -0.588 424 HA GLU 69 HA GLU 69 17.342 9.521 -0.195 425 HB3 GLU 69 2HB GLU 69 19.270 9.057 -1.445 426 HG3 GLU 69 2HG GLU 69 20.781 10.425 0.728 427 H LYS 70 H LYS 70 17.093 8.230 1.640 428 HA LYS 70 HA LYS 70 17.882 9.439 4.250 429 HB3 LYS 70 2HB LYS 70 15.651 8.989 5.138 430 HG3 LYS 70 2HG LYS 70 14.756 10.405 2.694 431 HD3 LYS 70 2HD LYS 70 13.676 10.506 5.022 432 HE3 LYS 70 2HE LYS 70 16.073 12.345 5.475 433 HZ1 LYS 70 3HZ LYS 70 13.679 11.812 7.144 434 HZ2 LYS 70 1HZ LYS 70 14.129 13.267 6.527 435 HZ3 LYS 70 2HZ LYS 70 15.023 12.559 7.706 436 H THR 71 H THR 71 17.583 7.936 6.063 437 HA THR 71 HA THR 71 18.965 5.547 5.609 438 HB THR 71 HB THR 71 18.922 7.015 7.634 439 HG1 THR 71 1HG THR 71 19.927 5.094 7.862 440 HG21 THR 71 3HG2 THR 71 17.242 6.667 9.331 441 HG22 THR 71 1HG2 THR 71 16.448 5.425 8.344 442 HG23 THR 71 2HG2 THR 71 16.423 7.120 7.817 443 HA PRO 72 HA PRO 72 15.557 2.724 4.758 444 HB3 PRO 72 2HB PRO 72 17.103 1.186 3.996 445 HG3 PRO 72 2HG PRO 72 19.248 1.001 4.989 446 HD3 PRO 72 2HD PRO 72 18.994 3.293 4.491 447 H TYR 73 H TYR 73 13.942 1.489 5.898 448 HA TYR 73 HA TYR 73 13.982 0.805 8.582 449 HB3 TYR 73 2HB TYR 73 13.774 3.042 9.280 450 HD1 TYR 73 1HD TYR 73 10.423 2.951 7.697 451 HD2 TYR 73 2HD TYR 73 14.283 4.843 7.648 452 HE1 TYR 73 1HE TYR 73 9.593 4.674 6.101 453 HE2 TYR 73 2HE TYR 73 13.457 6.534 6.031 454 HH TYR 73 HH TYR 73 11.534 7.321 4.813 455 H TYR 74 H TYR 74 11.964 -0.104 9.219 456 HA TYR 74 HA TYR 74 10.273 -1.055 6.937 457 HB3 TYR 74 2HB TYR 74 9.345 -2.680 8.599 458 HD1 TYR 74 2HD TYR 74 12.968 -2.576 9.396 459 HD2 TYR 74 1HD TYR 74 9.917 -4.301 6.876 460 HE1 TYR 74 2HE TYR 74 14.492 -4.405 8.802 461 HE2 TYR 74 1HE TYR 74 11.460 -6.146 6.254 462 HH TYR 74 HH TYR 74 13.586 -7.097 6.616 463 H LEU 75 H LEU 75 8.411 0.013 6.661 464 HA LEU 75 HA LEU 75 7.094 1.449 8.893 465 HB3 LEU 75 2HB LEU 75 5.541 2.205 7.085 466 HG LEU 75 HG LEU 75 8.454 2.692 6.332 467 HD11 LEU 75 1HD1 LEU 75 6.745 3.312 4.644 468 HD12 LEU 75 2HD1 LEU 75 7.559 4.726 5.290 469 HD13 LEU 75 3HD1 LEU 75 5.935 4.330 5.878 470 HD21 LEU 75 3HD2 LEU 75 8.277 3.347 8.643 471 HD22 LEU 75 1HD2 LEU 75 6.638 3.971 8.412 472 HD23 LEU 75 2HD2 LEU 75 8.031 4.843 7.742 473 H ASP 76 H ASP 76 5.215 0.872 9.682 474 HA ASP 76 HA ASP 76 4.274 -1.880 9.329 475 HB3 ASP 76 2HB ASP 76 2.732 -1.281 11.171 476 H CYS 77 H CYS 77 2.643 -2.354 7.856 477 HA CYS 77 HA CYS 77 0.374 -0.600 7.749 478 HB3 CYS 77 2HB CYS 77 1.411 0.288 5.688 479 HG CYS 77 HG CYS 77 1.988 -2.955 5.366 480 H LYS 78 H LYS 78 -1.391 -1.694 6.741 481 HA LYS 78 HA LYS 78 -0.983 -4.492 5.876 482 HB3 LYS 78 2HB LYS 78 -3.304 -4.956 6.652 483 HG3 LYS 78 2HG LYS 78 -1.039 -4.788 8.348 484 HD3 LYS 78 2HD LYS 78 -3.488 -3.794 9.868 485 HE3 LYS 78 2HE LYS 78 -1.924 -3.389 11.661 486 HZ1 LYS 78 3HZ LYS 78 -1.005 -6.022 10.788 487 HZ2 LYS 78 1HZ LYS 78 -2.583 -5.848 11.287 488 HZ3 LYS 78 2HZ LYS 78 -1.347 -5.490 12.297 489 H ILE 79 H ILE 79 -2.679 -5.275 4.401 490 HA ILE 79 HA ILE 79 -4.348 -3.317 3.081 491 HB ILE 79 HB ILE 79 -2.076 -3.309 1.920 492 HG13 ILE 79 2HG1 ILE 79 -3.971 -2.388 0.801 493 HG21 ILE 79 1HG2 ILE 79 -1.758 -5.837 2.197 494 HG22 ILE 79 2HG2 ILE 79 -2.849 -6.030 0.818 495 HG23 ILE 79 3HG2 ILE 79 -1.310 -5.145 0.642 496 HD11 ILE 79 3HD1 ILE 79 -2.015 -2.674 -0.653 497 HD12 ILE 79 1HD1 ILE 79 -2.498 -4.339 -1.049 498 HD13 ILE 79 2HD1 ILE 79 -3.480 -3.029 -1.609 499 H SER 80 H SER 80 -5.916 -4.462 1.887 500 HA SER 80 HA SER 80 -6.302 -7.408 2.258 501 HB3 SER 80 2HB SER 80 -8.442 -5.250 2.373 502 HG SER 80 HG SER 80 -8.799 -7.913 3.201 503 H GLY 81 H GLY 81 -6.851 -4.501 0.277 504 HA2 GLY 81 1HA GLY 81 -6.153 -5.678 -2.168 505 HA3 GLY 81 2HA GLY 81 -7.927 -5.602 -2.069 506 H THR 82 H THR 82 -8.524 -3.283 -0.836 507 HA THR 82 HA THR 82 -7.452 -1.218 -2.640 508 HB THR 82 HB THR 82 -10.069 -0.800 -2.797 509 HG1 THR 82 1HG THR 82 -11.115 -2.878 -2.676 510 HG21 THR 82 3HG2 THR 82 -8.543 -1.535 -4.642 511 HG22 THR 82 1HG2 THR 82 -10.153 -2.260 -4.733 512 HG23 THR 82 2HG2 THR 82 -8.786 -3.220 -4.144 513 H THR 83 H THR 83 -7.613 -1.685 0.505 514 HA THR 83 HA THR 83 -7.904 1.187 1.232 515 HB THR 83 HB THR 83 -8.887 -1.276 2.705 516 HG1 THR 83 1HG THR 83 -10.563 -0.570 1.592 517 HG21 THR 83 3HG2 THR 83 -9.523 0.235 4.578 518 HG22 THR 83 1HG2 THR 83 -8.606 1.558 3.781 519 HG23 THR 83 2HG2 THR 83 -7.791 0.122 4.414 520 H LEU 84 H LEU 84 -5.756 1.750 1.555 521 HA LEU 84 HA LEU 84 -3.790 -0.229 2.555 522 HB3 LEU 84 2HB LEU 84 -3.058 2.696 2.480 523 HG LEU 84 HG LEU 84 -1.742 0.374 1.084 524 HD11 LEU 84 1HD1 LEU 84 0.268 1.874 1.226 525 HD12 LEU 84 2HD1 LEU 84 -0.781 3.133 1.883 526 HD13 LEU 84 3HD1 LEU 84 -1.053 2.518 0.250 527 HD21 LEU 84 3HD2 LEU 84 -1.409 1.038 3.946 528 HD22 LEU 84 1HD2 LEU 84 -0.078 0.354 2.972 529 HD23 LEU 84 2HD2 LEU 84 -1.594 -0.519 3.124 530 H LYS 85 H LYS 85 -3.711 -0.521 4.691 531 HA LYS 85 HA LYS 85 -4.383 1.805 6.487 532 HB3 LYS 85 2HB LYS 85 -4.295 -1.196 7.034 533 HG3 LYS 85 2HG LYS 85 -4.092 1.137 8.922 534 HD3 LYS 85 2HD LYS 85 -5.164 -0.396 10.691 535 HE3 LYS 85 2HE LYS 85 -7.505 0.378 10.234 536 HZ1 LYS 85 3HZ LYS 85 -5.789 1.788 11.285 537 HZ2 LYS 85 1HZ LYS 85 -7.028 2.623 10.598 538 HZ3 LYS 85 2HZ LYS 85 -5.540 2.554 9.856 539 H VAL 86 H VAL 86 -2.398 2.893 6.018 540 HA VAL 86 HA VAL 86 0.094 1.534 6.871 541 HB VAL 86 HB VAL 86 -0.310 4.456 6.146 542 HG11 VAL 86 1HG1 VAL 86 1.697 3.937 7.559 543 HG12 VAL 86 2HG1 VAL 86 2.218 2.732 6.379 544 HG13 VAL 86 3HG1 VAL 86 2.151 4.454 5.936 545 HG21 VAL 86 3HG2 VAL 86 0.907 3.751 4.045 546 HG22 VAL 86 1HG2 VAL 86 0.620 2.077 4.484 547 HG23 VAL 86 2HG2 VAL 86 -0.758 3.182 4.164 548 H GLU 87 H GLU 87 0.790 1.558 8.903 549 HA GLU 87 HA GLU 87 -0.931 2.832 10.947 550 HB3 GLU 87 2HB GLU 87 0.308 1.297 12.450 551 HG3 GLU 87 2HG GLU 87 -0.639 -0.204 9.972 552 H THR 88 H THR 88 2.402 3.023 9.673 553 HA THR 88 HA THR 88 2.872 5.444 11.263 554 HB THR 88 HB THR 88 3.533 3.472 12.676 555 HG1 THR 88 1HG THR 88 4.442 5.218 13.363 556 HG21 THR 88 3HG2 THR 88 5.569 2.280 12.218 557 HG22 THR 88 1HG2 THR 88 5.889 3.247 10.767 558 HG23 THR 88 2HG2 THR 88 4.499 2.136 10.813 559 H GLY 89 H GLY 89 5.211 6.283 10.665 560 HA2 GLY 89 1HA GLY 89 6.826 6.604 8.951 561 HA3 GLY 89 2HA GLY 89 5.692 5.929 7.756 562 H SER 90 H SER 90 6.557 8.132 6.900 563 HA SER 90 HA SER 90 5.148 10.456 7.814 564 HB3 SER 90 2HB SER 90 6.088 10.170 4.962 565 HG SER 90 HG SER 90 5.846 12.169 6.940 566 H GLU 91 H GLU 91 4.243 7.706 5.844 567 HA GLU 91 HA GLU 91 1.962 9.099 4.633 568 HB3 GLU 91 2HB GLU 91 1.913 7.307 3.118 569 HG3 GLU 91 2HG GLU 91 3.943 8.713 2.747 570 H ALA 92 H ALA 92 2.210 7.895 7.532 571 HA ALA 92 HA ALA 92 0.529 5.725 7.928 572 HB1 ALA 92 1HB ALA 92 0.989 8.065 9.830 573 HB2 ALA 92 2HB ALA 92 0.556 6.391 10.243 574 HB3 ALA 92 3HB ALA 92 2.140 6.758 9.546 575 H GLY 93 H GLY 93 -1.511 5.596 7.128 576 HA2 GLY 93 1HA GLY 93 -3.665 6.952 8.356 577 HA3 GLY 93 2HA GLY 93 -3.324 7.784 6.831 578 H THR 94 H THR 94 -5.514 7.114 6.265 579 HA THR 94 HA THR 94 -5.900 4.237 5.616 580 HB THR 94 HB THR 94 -8.318 4.826 5.999 581 HG1 THR 94 1HG THR 94 -8.110 7.065 5.780 582 HG21 THR 94 3HG2 THR 94 -6.919 3.747 7.784 583 HG22 THR 94 1HG2 THR 94 -8.216 4.763 8.427 584 HG23 THR 94 2HG2 THR 94 -6.543 5.359 8.431 585 H TYR 95 H TYR 95 -5.556 4.037 3.414 586 HA TYR 95 HA TYR 95 -6.434 6.327 1.684 587 HB3 TYR 95 2HB TYR 95 -4.594 5.657 0.203 588 HD1 TYR 95 1HD TYR 95 -3.251 5.471 3.684 589 HD2 TYR 95 2HD TYR 95 -4.023 7.947 0.246 590 HE1 TYR 95 1HE TYR 95 -2.223 7.417 4.845 591 HE2 TYR 95 2HE TYR 95 -2.970 9.864 1.374 592 HH TYR 95 HH TYR 95 -2.274 9.870 4.820 593 H LYS 96 H LYS 96 -7.658 5.950 -0.077 594 HA LYS 96 HA LYS 96 -8.738 3.217 -0.544 595 HB3 LYS 96 2HB LYS 96 -10.023 4.662 -2.359 596 HG3 LYS 96 2HG LYS 96 -11.448 5.749 -0.460 597 HD3 LYS 96 2HD LYS 96 -11.160 2.715 -0.494 598 HE3 LYS 96 2HE LYS 96 -13.864 3.594 -0.414 599 HZ1 LYS 96 3HZ LYS 96 -13.826 2.694 1.828 600 HZ2 LYS 96 1HZ LYS 96 -12.213 2.504 1.800 601 HZ3 LYS 96 2HZ LYS 96 -13.178 1.667 0.757 602 H LYS 97 H LYS 97 -7.842 1.947 -2.118 603 HA LYS 97 HA LYS 97 -5.863 2.845 -3.976 604 HB3 LYS 97 2HB LYS 97 -7.755 0.481 -4.227 605 HG3 LYS 97 2HG LYS 97 -5.202 1.248 -5.689 606 HD3 LYS 97 2HD LYS 97 -5.292 -1.052 -6.712 607 HE3 LYS 97 2HE LYS 97 -4.601 -1.154 -3.771 608 HZ1 LYS 97 3HZ LYS 97 -2.941 -2.677 -4.504 609 HZ2 LYS 97 1HZ LYS 97 -3.156 -2.281 -6.078 610 HZ3 LYS 97 2HZ LYS 97 -4.290 -3.144 -5.281 611 H GLN 98 H GLN 98 -6.149 3.790 -6.007 612 HA GLN 98 HA GLN 98 -8.961 4.265 -6.943 613 HB3 GLN 98 2HB GLN 98 -8.043 6.286 -8.032 614 HG3 GLN 98 2HG GLN 98 -7.317 7.043 -5.363 615 HE21 GLN 98 1HE2 GLN 98 -10.680 6.868 -5.211 616 HE22 GLN 98 2HE2 GLN 98 -10.963 8.454 -5.921 617 H LYS 99 H LYS 99 -8.509 1.985 -7.721 618 HA LYS 99 HA LYS 99 -8.382 2.258 -10.479 619 HB3 LYS 99 2HB LYS 99 -5.934 1.814 -9.969 620 HG3 LYS 99 2HG LYS 99 -6.914 -0.437 -8.468 621 HD3 LYS 99 2HD LYS 99 -6.833 -1.603 -10.734 622 HE3 LYS 99 2HE LYS 99 -3.850 -1.071 -10.337 623 HZ1 LYS 99 3HZ LYS 99 -4.384 -3.304 -11.286 624 HZ2 LYS 99 1HZ LYS 99 -3.495 -2.320 -12.278 625 HZ3 LYS 99 2HZ LYS 99 -5.066 -2.561 -12.587 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -12.595 -5.817 15.604 2 HA2 GLY 1 1HA GLY 1 -10.729 -7.392 15.654 3 HA3 GLY 1 2HA GLY 1 -11.407 -8.139 14.193 4 H GLU 2 H GLU 2 -8.830 -7.342 14.042 5 HA GLU 2 HA GLU 2 -8.929 -5.087 12.096 6 HB3 GLU 2 2HB GLU 2 -6.463 -4.877 12.655 7 HG3 GLU 2 2HG GLU 2 -6.846 -3.695 14.929 8 H ASP 3 H ASP 3 -9.620 -6.815 10.671 9 HA ASP 3 HA ASP 3 -7.882 -9.212 10.724 10 HB3 ASP 3 2HB ASP 3 -9.754 -10.488 10.089 11 H TRP 4 H TRP 4 -6.529 -7.716 9.461 12 HA TRP 4 HA TRP 4 -7.174 -7.256 6.650 13 HB3 TRP 4 2HB TRP 4 -4.956 -6.191 6.696 14 HD1 TRP 4 HD TRP 4 -6.277 -5.362 10.222 15 HE1 TRP 4 1HE TRP 4 -7.656 -3.209 10.164 16 HE3 TRP 4 3HE TRP 4 -6.022 -4.558 5.302 17 HZ2 TRP 4 2HZ TRP 4 -8.639 -1.313 7.971 18 HZ3 TRP 4 3HZ TRP 4 -7.082 -2.562 4.197 19 HH2 TRP 4 HH TRP 4 -8.384 -1.004 5.596 20 H THR 5 H THR 5 -5.675 -8.022 4.811 21 HA THR 5 HA THR 5 -4.978 -10.790 5.149 22 HB THR 5 HB THR 5 -4.014 -9.636 2.681 23 HG1 THR 5 1HG THR 5 -6.640 -8.820 3.335 24 HG21 THR 5 3HG2 THR 5 -5.829 -10.948 1.653 25 HG22 THR 5 1HG2 THR 5 -6.504 -11.247 3.279 26 HG23 THR 5 2HG2 THR 5 -4.893 -11.877 2.816 27 H GLU 6 H GLU 6 -2.841 -11.453 4.047 28 HA GLU 6 HA GLU 6 -0.438 -10.299 5.070 29 HB3 GLU 6 2HB GLU 6 0.388 -11.491 2.838 30 HG3 GLU 6 2HG GLU 6 0.759 -12.266 5.190 31 H LEU 7 H LEU 7 0.715 -8.620 4.309 32 HA LEU 7 HA LEU 7 -0.042 -7.109 1.889 33 HB3 LEU 7 2HB LEU 7 2.576 -6.888 3.379 34 HG LEU 7 HG LEU 7 1.974 -5.413 1.340 35 HD11 LEU 7 1HD1 LEU 7 0.554 -3.445 1.858 36 HD12 LEU 7 2HD1 LEU 7 0.202 -4.110 3.470 37 HD13 LEU 7 3HD1 LEU 7 -0.398 -4.927 1.999 38 HD21 LEU 7 3HD2 LEU 7 2.537 -4.128 4.036 39 HD22 LEU 7 1HD2 LEU 7 2.824 -3.359 2.461 40 HD23 LEU 7 2HD2 LEU 7 3.761 -4.806 2.927 41 H ASN 8 H ASN 8 1.081 -7.405 -0.115 42 HA ASN 8 HA ASN 8 3.402 -9.169 -0.244 43 HB3 ASN 8 2HB ASN 8 2.520 -10.473 -2.102 44 HD21 ASN 8 1HD2 ASN 8 -0.566 -10.345 -0.510 45 HD22 ASN 8 2HD2 ASN 8 -0.309 -11.699 0.574 46 H SER 9 H SER 9 4.360 -8.856 -2.469 47 HA SER 9 HA SER 9 4.580 -6.154 -3.148 48 HB3 SER 9 2HB SER 9 5.048 -8.167 -5.327 49 HG SER 9 HG SER 9 6.651 -6.784 -5.741 50 H ASN 10 H ASN 10 2.579 -8.637 -4.756 51 HA ASN 10 HA ASN 10 1.623 -6.867 -6.750 52 HB3 ASN 10 2HB ASN 10 0.185 -8.664 -7.435 53 HD21 ASN 10 1HD2 ASN 10 2.159 -8.781 -8.787 54 HD22 ASN 10 2HD2 ASN 10 3.441 -9.918 -8.409 55 H ASN 11 H ASN 11 0.581 -7.065 -3.436 56 HA ASN 11 HA ASN 11 -2.201 -6.257 -4.068 57 HB3 ASN 11 2HB ASN 11 -2.540 -5.966 -1.720 58 HD21 ASN 11 1HD2 ASN 11 -1.617 -8.304 0.010 59 HD22 ASN 11 2HD2 ASN 11 -2.536 -9.521 -0.830 60 H ILE 12 H ILE 12 0.898 -4.793 -2.988 61 HA ILE 12 HA ILE 12 -0.389 -2.167 -2.639 62 HB ILE 12 HB ILE 12 1.109 -2.914 -0.941 63 HG13 ILE 12 2HG1 ILE 12 1.172 -0.383 -2.249 64 HG21 ILE 12 1HG2 ILE 12 2.694 -4.332 -2.140 65 HG22 ILE 12 2HG2 ILE 12 3.346 -2.921 -3.000 66 HG23 ILE 12 3HG2 ILE 12 3.545 -3.059 -1.245 67 HD11 ILE 12 3HD1 ILE 12 0.503 -0.233 -0.120 68 HD12 ILE 12 1HD1 ILE 12 1.819 -1.267 0.530 69 HD13 ILE 12 2HD1 ILE 12 2.147 0.394 -0.013 70 H ILE 13 H ILE 13 -0.612 -3.078 -5.336 71 HA ILE 13 HA ILE 13 1.376 -1.278 -6.706 72 HB ILE 13 HB ILE 13 -0.218 -3.581 -7.872 73 HG13 ILE 13 2HG1 ILE 13 1.962 -4.749 -8.092 74 HG21 ILE 13 1HG2 ILE 13 1.391 -3.210 -9.792 75 HG22 ILE 13 2HG2 ILE 13 0.219 -1.916 -9.545 76 HG23 ILE 13 3HG2 ILE 13 1.897 -1.707 -9.011 77 HD11 ILE 13 3HD1 ILE 13 3.034 -3.012 -5.844 78 HD12 ILE 13 1HD1 ILE 13 3.881 -4.177 -6.843 79 HD13 ILE 13 2HD1 ILE 13 3.416 -2.587 -7.516 80 H GLY 14 H GLY 14 0.579 0.550 -7.462 81 HA2 GLY 14 1HA GLY 14 -1.257 1.405 -8.975 82 HA3 GLY 14 2HA GLY 14 -2.392 0.884 -7.726 83 H TYR 15 H TYR 15 -2.810 3.311 -8.142 84 HA TYR 15 HA TYR 15 -1.172 5.186 -6.549 85 HB3 TYR 15 2HB TYR 15 -3.274 6.632 -7.127 86 HD1 TYR 15 2HD TYR 15 -0.678 4.943 -9.253 87 HD2 TYR 15 1HD TYR 15 -2.958 8.491 -8.383 88 HE1 TYR 15 2HE TYR 15 1.010 6.285 -10.423 89 HE2 TYR 15 1HE TYR 15 -1.228 9.878 -9.548 90 HH TYR 15 HH TYR 15 1.867 8.609 -10.535 91 H TRP 16 H TRP 16 -2.263 6.390 -4.774 92 HA TRP 16 HA TRP 16 -4.684 5.113 -3.615 93 HB3 TRP 16 2HB TRP 16 -3.586 5.384 -1.360 94 HD1 TRP 16 HD TRP 16 -0.658 3.717 -3.174 95 HE1 TRP 16 1HE TRP 16 -0.833 1.235 -2.933 96 HE3 TRP 16 3HE TRP 16 -5.397 3.387 -1.249 97 HZ2 TRP 16 2HZ TRP 16 -2.714 -0.739 -1.955 98 HZ3 TRP 16 3HZ TRP 16 -6.393 1.103 -0.765 99 HH2 TRP 16 HH TRP 16 -5.096 -0.900 -1.140 100 H SER 17 H SER 17 -6.074 6.703 -2.573 101 HA SER 17 HA SER 17 -4.821 9.302 -1.882 102 HB3 SER 17 2HB SER 17 -7.523 9.141 -3.267 103 HG SER 17 HG SER 17 -7.135 11.446 -3.299 104 H THR 18 H THR 18 -6.254 10.502 -0.343 105 HA THR 18 HA THR 18 -7.482 8.596 1.613 106 HB THR 18 HB THR 18 -5.277 9.537 2.229 107 HG1 THR 18 1HG THR 18 -6.734 8.956 3.820 108 HG21 THR 18 3HG2 THR 18 -4.967 11.854 2.828 109 HG22 THR 18 1HG2 THR 18 -6.632 12.242 2.348 110 HG23 THR 18 2HG2 THR 18 -5.437 11.731 1.137 111 H GLY 19 H GLY 19 -8.134 11.278 -0.456 112 HA2 GLY 19 1HA GLY 19 -10.726 11.829 -0.087 113 HA3 GLY 19 2HA GLY 19 -9.958 12.648 1.299 114 H ILE 20 H ILE 20 -11.032 14.374 -0.311 115 HA ILE 20 HA ILE 20 -8.956 15.401 -2.186 116 HB ILE 20 HB ILE 20 -10.840 15.918 -3.726 117 HG13 ILE 20 2HG1 ILE 20 -12.641 15.836 -1.904 118 HG21 ILE 20 1HG2 ILE 20 -9.372 13.891 -3.915 119 HG22 ILE 20 2HG2 ILE 20 -10.645 12.940 -3.114 120 HG23 ILE 20 3HG2 ILE 20 -10.951 13.740 -4.665 121 HD11 ILE 20 3HD1 ILE 20 -14.411 14.957 -3.337 122 HD12 ILE 20 1HD1 ILE 20 -13.287 15.965 -4.270 123 HD13 ILE 20 2HD1 ILE 20 -13.218 14.192 -4.404 124 H GLU 21 H GLU 21 -9.660 16.193 0.622 125 HA GLU 21 HA GLU 21 -10.190 19.045 0.148 126 HB3 GLU 21 2HB GLU 21 -12.389 18.072 0.668 127 HG3 GLU 21 2HG GLU 21 -11.053 16.349 2.477 128 H GLY 22 H GLY 22 -9.381 20.294 1.863 129 HA2 GLY 22 1HA GLY 22 -7.579 20.926 3.168 130 HA3 GLY 22 2HA GLY 22 -7.732 19.351 3.983 131 H THR 23 H THR 23 -5.414 19.339 4.177 132 HA THR 23 HA THR 23 -3.762 19.139 1.783 133 HB THR 23 HB THR 23 -3.048 18.886 4.728 134 HG1 THR 23 1HG THR 23 -3.061 21.048 2.888 135 HG21 THR 23 3HG2 THR 23 -1.406 19.294 2.190 136 HG22 THR 23 1HG2 THR 23 -1.463 17.819 3.185 137 HG23 THR 23 2HG2 THR 23 -0.752 19.307 3.855 138 H HIS 24 H HIS 24 -4.433 17.317 0.735 139 HA HIS 24 HA HIS 24 -4.557 14.787 2.256 140 HB3 HIS 24 2HB HIS 24 -6.645 15.122 1.214 141 HD1 HIS 24 1HD HIS 24 -7.079 17.488 0.078 142 HD2 HIS 24 2HD HIS 24 -4.920 14.700 -2.233 143 HE1 HIS 24 1HE HIS 24 -7.226 18.302 -2.344 144 H LYS 25 H LYS 25 -3.973 12.868 0.676 145 HA LYS 25 HA LYS 25 -1.092 13.397 0.151 146 HB3 LYS 25 2HB LYS 25 -0.803 11.502 1.890 147 HG3 LYS 25 2HG LYS 25 -1.893 14.199 2.804 148 HD3 LYS 25 2HD LYS 25 -0.411 12.068 4.376 149 HE3 LYS 25 2HE LYS 25 0.586 14.314 4.699 150 HZ1 LYS 25 3HZ LYS 25 -1.886 15.211 6.037 151 HZ2 LYS 25 1HZ LYS 25 -1.598 15.603 4.471 152 HZ3 LYS 25 2HZ LYS 25 -0.542 16.046 5.645 153 H LEU 26 H LEU 26 -0.546 12.426 -1.687 154 HA LEU 26 HA LEU 26 -2.091 10.126 -2.715 155 HB3 LEU 26 2HB LEU 26 -0.348 11.754 -4.506 156 HG LEU 26 HG LEU 26 -2.210 11.817 -6.000 157 HD11 LEU 26 1HD1 LEU 26 -1.004 9.790 -6.264 158 HD12 LEU 26 2HD1 LEU 26 -2.732 9.393 -6.358 159 HD13 LEU 26 3HD1 LEU 26 -1.823 9.024 -4.901 160 HD21 LEU 26 3HD2 LEU 26 -3.991 12.219 -4.386 161 HD22 LEU 26 1HD2 LEU 26 -3.902 10.535 -3.841 162 HD23 LEU 26 2HD2 LEU 26 -4.409 10.904 -5.494 163 H LEU 27 H LEU 27 -0.991 8.248 -2.284 164 HA LEU 27 HA LEU 27 1.965 8.069 -2.594 165 HB3 LEU 27 2HB LEU 27 1.164 5.538 -2.056 166 HG LEU 27 HG LEU 27 1.449 7.694 0.045 167 HD11 LEU 27 1HD1 LEU 27 1.699 5.723 1.611 168 HD12 LEU 27 2HD1 LEU 27 0.973 4.726 0.346 169 HD13 LEU 27 3HD1 LEU 27 0.060 6.077 1.037 170 HD21 LEU 27 3HD2 LEU 27 3.549 7.413 -0.861 171 HD22 LEU 27 1HD2 LEU 27 3.341 5.680 -1.165 172 HD23 LEU 27 2HD2 LEU 27 3.593 6.293 0.488 173 H SER 28 H SER 28 2.767 6.446 -4.098 174 HA SER 28 HA SER 28 0.833 4.846 -5.486 175 HB3 SER 28 2HB SER 28 2.908 6.316 -7.156 176 HG SER 28 HG SER 28 2.299 4.906 -8.618 177 H PHE 29 H PHE 29 1.885 3.058 -6.454 178 HA PHE 29 HA PHE 29 4.740 2.495 -5.946 179 HB3 PHE 29 2HB PHE 29 4.136 0.282 -4.926 180 HD1 PHE 29 1HD PHE 29 5.938 1.699 -3.584 181 HD2 PHE 29 2HD PHE 29 1.686 2.191 -3.044 182 HE1 PHE 29 1HE PHE 29 6.328 2.818 -1.419 183 HE2 PHE 29 2HE PHE 29 2.095 3.347 -0.901 184 HZ PHE 29 HZ PHE 29 4.420 3.625 -0.061 185 H ASP 30 H ASP 30 5.553 1.527 -7.797 186 HA ASP 30 HA ASP 30 3.721 0.049 -9.589 187 HB3 ASP 30 2HB ASP 30 5.881 0.172 -11.007 188 H GLU 31 H GLU 31 4.268 -1.981 -10.153 189 HA GLU 31 HA GLU 31 5.526 -3.568 -8.132 190 HB3 GLU 31 2HB GLU 31 3.498 -4.049 -9.505 191 HG3 GLU 31 2HG GLU 31 4.997 -3.642 -11.790 192 H ASP 32 H ASP 32 6.557 -2.263 -11.133 193 HA ASP 32 HA ASP 32 9.057 -3.816 -11.308 194 HB3 ASP 32 2HB ASP 32 7.424 -4.464 -12.958 195 H GLY 33 H GLY 33 7.976 -0.821 -10.458 196 HA2 GLY 33 1HA GLY 33 10.306 0.612 -11.662 197 HA3 GLY 33 2HA GLY 33 8.711 1.350 -11.486 198 H THR 34 H THR 34 8.414 2.526 -9.648 199 HA THR 34 HA THR 34 9.854 2.003 -7.159 200 HB THR 34 HB THR 34 10.278 4.560 -7.144 201 HG1 THR 34 1HG THR 34 10.250 4.230 -9.969 202 HG21 THR 34 3HG2 THR 34 11.930 2.896 -9.077 203 HG22 THR 34 1HG2 THR 34 12.125 2.970 -7.321 204 HG23 THR 34 2HG2 THR 34 12.423 4.408 -8.297 205 H GLY 35 H GLY 35 8.871 3.861 -5.595 206 HA2 GLY 35 1HA GLY 35 5.949 4.078 -6.068 207 HA3 GLY 35 2HA GLY 35 6.696 4.013 -4.493 208 H SER 36 H SER 36 5.154 6.000 -4.754 209 HA SER 36 HA SER 36 6.878 8.373 -4.903 210 HB3 SER 36 2HB SER 36 4.565 7.815 -6.716 211 HG SER 36 HG SER 36 3.893 9.888 -6.828 212 H PHE 37 H PHE 37 5.999 10.088 -3.792 213 HA PHE 37 HA PHE 37 3.546 9.771 -2.237 214 HB3 PHE 37 2HB PHE 37 6.147 10.463 -0.854 215 HD1 PHE 37 1HD PHE 37 2.431 9.907 -0.297 216 HD2 PHE 37 2HD PHE 37 6.110 11.612 1.170 217 HE1 PHE 37 1HE PHE 37 1.216 10.995 1.521 218 HE2 PHE 37 2HE PHE 37 4.876 12.722 2.991 219 HZ PHE 37 HZ PHE 37 2.414 12.405 3.201 220 H GLY 38 H GLY 38 2.459 11.614 -2.834 221 HA2 GLY 38 1HA GLY 38 3.890 14.223 -3.052 222 HA3 GLY 38 2HA GLY 38 2.733 13.679 -4.263 223 H ILE 39 H ILE 39 3.059 15.412 -1.394 224 HA ILE 39 HA ILE 39 0.279 15.091 -0.495 225 HB ILE 39 HB ILE 39 2.257 17.276 0.293 226 HG13 ILE 39 2HG1 ILE 39 3.312 15.183 0.863 227 HG21 ILE 39 1HG2 ILE 39 0.839 17.561 2.239 228 HG22 ILE 39 2HG2 ILE 39 -0.168 17.692 0.811 229 HG23 ILE 39 3HG2 ILE 39 -0.187 16.192 1.759 230 HD11 ILE 39 3HD1 ILE 39 1.826 15.775 3.423 231 HD12 ILE 39 1HD1 ILE 39 3.412 15.035 3.207 232 HD13 ILE 39 2HD1 ILE 39 3.192 16.754 2.832 233 H TYR 40 H TYR 40 -1.400 16.515 -0.973 234 HA TYR 40 HA TYR 40 -0.885 18.791 -2.791 235 HB3 TYR 40 2HB TYR 40 -3.044 18.352 -3.849 236 HD1 TYR 40 2HD TYR 40 -1.186 15.086 -3.434 237 HD2 TYR 40 1HD TYR 40 -2.551 18.209 -6.087 238 HE1 TYR 40 2HE TYR 40 -0.251 13.861 -5.348 239 HE2 TYR 40 1HE TYR 40 -1.613 16.971 -8.012 240 HH TYR 40 HH TYR 40 -0.039 15.198 -8.561 241 H SER 41 H SER 41 -2.416 20.513 -2.378 242 HA SER 41 HA SER 41 -4.014 20.243 0.099 243 HB3 SER 41 2HB SER 41 -3.028 22.953 -0.376 244 HG SER 41 HG SER 41 -3.325 22.803 1.670 245 H ASN 42 H ASN 42 -5.992 20.372 -0.494 246 HA ASN 42 HA ASN 42 -7.941 21.195 -1.134 247 HB3 ASN 42 2HB ASN 42 -8.078 23.665 -1.476 248 HD21 ASN 42 1HD2 ASN 42 -9.216 23.185 0.447 249 HD22 ASN 42 2HD2 ASN 42 -8.442 22.961 1.990 250 H ALA 43 H ALA 43 -5.806 22.635 -3.627 251 HA ALA 43 HA ALA 43 -6.560 20.659 -5.465 252 HB1 ALA 43 1HB ALA 43 -8.638 21.911 -5.833 253 HB2 ALA 43 2HB ALA 43 -7.688 23.359 -6.272 254 HB3 ALA 43 3HB ALA 43 -7.611 21.864 -7.249 255 H THR 44 H THR 44 -4.141 21.399 -4.458 256 HA THR 44 HA THR 44 -2.652 22.183 -6.875 257 HB THR 44 HB THR 44 -2.205 23.503 -4.150 258 HG1 THR 44 1HG THR 44 -3.102 25.303 -4.883 259 HG21 THR 44 3HG2 THR 44 -0.176 23.332 -5.614 260 HG22 THR 44 1HG2 THR 44 -0.693 25.000 -5.424 261 HG23 THR 44 2HG2 THR 44 -1.057 24.122 -6.928 262 HA PRO 45 HA PRO 45 -0.081 18.940 -4.787 263 HB3 PRO 45 2HB PRO 45 0.587 18.151 -6.856 264 HG3 PRO 45 2HG PRO 45 0.738 19.599 -8.722 265 HD3 PRO 45 2HD PRO 45 -1.402 20.037 -7.876 266 H ILE 46 H ILE 46 1.324 19.304 -3.056 267 HA ILE 46 HA ILE 46 3.015 21.749 -3.107 268 HB ILE 46 HB ILE 46 1.566 20.858 -0.607 269 HG13 ILE 46 2HG1 ILE 46 0.025 22.679 -0.764 270 HG21 ILE 46 1HG2 ILE 46 3.370 22.240 0.049 271 HG22 ILE 46 2HG2 ILE 46 3.226 23.278 -1.377 272 HG23 ILE 46 3HG2 ILE 46 2.057 23.403 -0.065 273 HD11 ILE 46 3HD1 ILE 46 1.095 24.369 -2.115 274 HD12 ILE 46 1HD1 ILE 46 1.033 23.321 -3.537 275 HD13 ILE 46 2HD1 ILE 46 -0.462 23.919 -2.806 276 H SER 47 H SER 47 3.166 18.438 -3.141 277 HA SER 47 HA SER 47 5.893 18.708 -2.318 278 HB3 SER 47 2HB SER 47 4.304 16.581 -0.856 279 HG SER 47 HG SER 47 6.208 16.558 0.401 280 H PHE 48 H PHE 48 6.900 16.489 -2.533 281 HA PHE 48 HA PHE 48 6.033 14.572 -4.417 282 HB3 PHE 48 2HB PHE 48 7.931 16.556 -5.747 283 HD1 PHE 48 1HD PHE 48 4.811 14.578 -6.542 284 HD2 PHE 48 2HD PHE 48 8.892 15.458 -7.621 285 HE1 PHE 48 1HE PHE 48 4.610 13.121 -8.537 286 HE2 PHE 48 2HE PHE 48 8.743 13.806 -9.467 287 HZ PHE 48 HZ PHE 48 6.570 12.731 -9.997 288 H GLN 49 H GLN 49 7.258 12.970 -3.743 289 HA GLN 49 HA GLN 49 10.165 13.136 -3.917 290 HB3 GLN 49 2HB GLN 49 9.994 13.536 -1.524 291 HG3 GLN 49 2HG GLN 49 8.135 11.125 -1.518 292 HE21 GLN 49 1HE2 GLN 49 10.414 10.249 -0.403 293 HE22 GLN 49 2HE2 GLN 49 10.221 10.203 1.329 294 H MET 50 H MET 50 11.082 10.855 -4.103 295 HA MET 50 HA MET 50 9.064 8.850 -4.921 296 HB3 MET 50 2HB MET 50 10.139 8.440 -7.027 297 HG3 MET 50 2HG MET 50 9.967 11.479 -6.880 298 HE1 MET 50 3HE MET 50 11.804 9.568 -8.891 299 HE2 MET 50 1HE MET 50 11.499 10.193 -10.514 300 HE3 MET 50 2HE MET 50 11.905 11.314 -9.195 301 H PHE 51 H PHE 51 9.966 6.646 -4.773 302 HA PHE 51 HA PHE 51 12.646 6.284 -3.803 303 HB3 PHE 51 2HB PHE 51 12.024 6.916 -1.701 304 HD1 PHE 51 1HD PHE 51 9.954 8.429 -1.792 305 HD2 PHE 51 2HD PHE 51 9.861 4.247 -0.828 306 HE1 PHE 51 1HE PHE 51 7.894 8.788 -0.449 307 HE2 PHE 51 2HE PHE 51 7.824 4.617 0.566 308 HZ PHE 51 HZ PHE 51 6.854 6.900 0.776 309 H ASP 52 H ASP 52 13.208 4.077 -3.656 310 HA ASP 52 HA ASP 52 11.494 2.132 -5.113 311 HB3 ASP 52 2HB ASP 52 13.459 0.597 -4.128 312 H TYR 53 H TYR 53 11.145 -0.031 -3.973 313 HA TYR 53 HA TYR 53 11.344 -0.036 -1.101 314 HB3 TYR 53 2HB TYR 53 9.042 0.877 -1.487 315 HD1 TYR 53 2HD TYR 53 8.451 0.936 -3.996 316 HD2 TYR 53 1HD TYR 53 7.965 -2.573 -1.563 317 HE1 TYR 53 2HE TYR 53 6.946 -0.053 -5.729 318 HE2 TYR 53 1HE TYR 53 6.413 -3.538 -3.250 319 HH TYR 53 HH TYR 53 5.364 -3.239 -5.273 320 H LYS 54 H LYS 54 10.897 -2.358 -0.296 321 HA LYS 54 HA LYS 54 10.564 -4.376 -2.410 322 HB3 LYS 54 2HB LYS 54 12.125 -5.929 -1.135 323 HG3 LYS 54 2HG LYS 54 14.335 -4.784 -1.676 324 HD3 LYS 54 2HD LYS 54 12.693 -6.050 -3.526 325 HE3 LYS 54 2HE LYS 54 13.484 -3.248 -4.455 326 HZ1 LYS 54 3HZ LYS 54 14.255 -4.793 -6.129 327 HZ2 LYS 54 1HZ LYS 54 12.947 -3.933 -6.652 328 HZ3 LYS 54 2HZ LYS 54 12.759 -5.497 -6.220 329 H ILE 55 H ILE 55 9.414 -6.200 -1.508 330 HA ILE 55 HA ILE 55 8.217 -5.775 1.202 331 HB ILE 55 HB ILE 55 7.008 -7.302 -1.131 332 HG13 ILE 55 2HG1 ILE 55 5.418 -5.547 -1.389 333 HG21 ILE 55 1HG2 ILE 55 6.243 -8.238 0.950 334 HG22 ILE 55 2HG2 ILE 55 5.927 -6.631 1.639 335 HG23 ILE 55 3HG2 ILE 55 4.936 -7.244 0.302 336 HD11 ILE 55 3HD1 ILE 55 5.690 -3.311 -0.436 337 HD12 ILE 55 1HD1 ILE 55 5.349 -4.483 0.849 338 HD13 ILE 55 2HD1 ILE 55 7.006 -3.897 0.576 339 H GLU 56 H GLU 56 9.766 -6.884 2.369 340 HA GLU 56 HA GLU 56 10.180 -9.736 1.555 341 HB3 GLU 56 2HB GLU 56 12.298 -8.128 2.978 342 HG3 GLU 56 2HG GLU 56 12.537 -10.553 2.410 343 H GLU 57 H GLU 57 8.347 -8.619 3.497 344 HA GLU 57 HA GLU 57 8.650 -10.376 5.613 345 HB3 GLU 57 2HB GLU 57 8.832 -8.007 7.169 346 HG3 GLU 57 2HG GLU 57 10.637 -10.378 6.716 347 H GLY 58 H GLY 58 6.617 -9.023 3.761 348 HA2 GLY 58 1HA GLY 58 4.308 -8.633 3.879 349 HA3 GLY 58 2HA GLY 58 4.355 -9.144 5.565 350 H ARG 59 H ARG 59 6.535 -6.627 4.637 351 HA ARG 59 HA ARG 59 4.852 -4.355 5.398 352 HB3 ARG 59 2HB ARG 59 6.916 -3.590 6.828 353 HG3 ARG 59 2HG ARG 59 4.996 -5.737 7.691 354 HD3 ARG 59 2HD ARG 59 7.301 -4.739 9.390 355 HE ARG 59 HE ARG 59 5.822 -5.195 11.007 356 HH11 ARG 59 1HH1 ARG 59 5.646 -7.897 8.686 357 HH12 ARG 59 2HH1 ARG 59 4.390 -8.725 9.541 358 HH21 ARG 59 1HH2 ARG 59 4.303 -6.426 12.246 359 HH22 ARG 59 2HH2 ARG 59 3.692 -7.925 11.654 360 H ILE 60 H ILE 60 6.438 -2.352 4.948 361 HA ILE 60 HA ILE 60 7.635 -2.941 2.277 362 HB ILE 60 HB ILE 60 6.826 -0.208 3.286 363 HG13 ILE 60 2HG1 ILE 60 4.776 -1.631 3.321 364 HG21 ILE 60 1HG2 ILE 60 8.413 -0.474 1.371 365 HG22 ILE 60 2HG2 ILE 60 7.158 -1.358 0.489 366 HG23 ILE 60 3HG2 ILE 60 6.929 0.347 0.902 367 HD11 ILE 60 3HD1 ILE 60 4.771 0.811 2.647 368 HD12 ILE 60 1HD1 ILE 60 4.683 0.270 0.964 369 HD13 ILE 60 2HD1 ILE 60 3.389 -0.157 2.087 370 H TYR 61 H TYR 61 9.773 -2.947 2.190 371 HA TYR 61 HA TYR 61 11.443 -1.657 4.273 372 HB3 TYR 61 2HB TYR 61 12.112 -3.403 1.860 373 HD1 TYR 61 2HD TYR 61 13.504 -2.117 5.140 374 HD2 TYR 61 1HD TYR 61 14.341 -3.422 1.114 375 HE1 TYR 61 2HE TYR 61 15.912 -1.721 5.515 376 HE2 TYR 61 1HE TYR 61 16.725 -3.009 1.461 377 HH TYR 61 HH TYR 61 18.286 -2.032 2.872 378 H ILE 62 H ILE 62 12.112 0.437 3.896 379 HA ILE 62 HA ILE 62 12.124 1.523 1.125 380 HB ILE 62 HB ILE 62 11.974 2.992 3.790 381 HG13 ILE 62 2HG1 ILE 62 9.626 3.439 3.369 382 HG21 ILE 62 1HG2 ILE 62 12.896 4.389 2.058 383 HG22 ILE 62 2HG2 ILE 62 11.618 3.938 0.916 384 HG23 ILE 62 3HG2 ILE 62 11.238 4.917 2.349 385 HD11 ILE 62 3HD1 ILE 62 8.292 2.072 1.827 386 HD12 ILE 62 1HD1 ILE 62 9.470 3.013 0.914 387 HD13 ILE 62 2HD1 ILE 62 9.759 1.301 1.188 388 H TYR 63 H TYR 63 14.157 2.183 0.387 389 HA TYR 63 HA TYR 63 16.409 2.482 2.246 390 HB3 TYR 63 2HB TYR 63 16.035 0.033 2.115 391 HD1 TYR 63 1HD TYR 63 14.144 -0.248 0.153 392 HD2 TYR 63 2HD TYR 63 18.422 -0.251 -0.509 393 HE1 TYR 63 1HE TYR 63 13.825 -1.382 -1.995 394 HE2 TYR 63 2HE TYR 63 18.092 -1.649 -2.513 395 HH TYR 63 HH TYR 63 15.358 -1.963 -4.236 396 H ASP 64 H ASP 64 15.041 3.701 -0.537 397 HA ASP 64 HA ASP 64 17.458 5.022 -1.095 398 HB3 ASP 64 2HB ASP 64 16.028 3.546 -3.337 399 H VAL 65 H VAL 65 16.696 7.091 -1.077 400 HA VAL 65 HA VAL 65 13.991 7.663 -2.021 401 HB VAL 65 HB VAL 65 15.001 8.725 0.650 402 HG11 VAL 65 1HG1 VAL 65 12.542 9.292 0.918 403 HG12 VAL 65 2HG1 VAL 65 13.378 10.176 -0.357 404 HG13 VAL 65 3HG1 VAL 65 12.310 8.830 -0.779 405 HG21 VAL 65 3HG2 VAL 65 14.656 6.365 1.073 406 HG22 VAL 65 1HG2 VAL 65 13.333 7.282 1.792 407 HG23 VAL 65 2HG2 VAL 65 13.070 6.406 0.273 408 H TYR 66 H TYR 66 13.789 9.784 -2.786 409 HA TYR 66 HA TYR 66 16.044 11.636 -2.552 410 HB3 TYR 66 2HB TYR 66 15.924 9.899 -4.781 411 HD1 TYR 66 1HD TYR 66 13.273 10.545 -5.371 412 HD2 TYR 66 2HD TYR 66 16.815 12.791 -6.397 413 HE1 TYR 66 1HE TYR 66 11.977 11.881 -6.970 414 HE2 TYR 66 2HE TYR 66 15.522 14.047 -8.095 415 HH TYR 66 HH TYR 66 12.043 13.983 -7.994 416 HA PRO 67 HA PRO 67 16.284 13.626 -4.094 417 HB3 PRO 67 2HB PRO 67 15.273 15.519 -4.975 418 HG3 PRO 67 2HG PRO 67 13.510 16.671 -3.756 419 HD3 PRO 67 2HD PRO 67 12.777 14.470 -4.270 420 H ASP 68 H ASP 68 14.768 13.710 -0.992 421 HA ASP 68 HA ASP 68 17.315 14.331 0.416 422 HB3 ASP 68 2HB ASP 68 15.154 13.394 2.105 423 H GLU 69 H GLU 69 18.525 12.572 1.163 424 HA GLU 69 HA GLU 69 17.344 9.864 0.857 425 HB3 GLU 69 2HB GLU 69 19.366 10.088 -0.373 426 HG3 GLU 69 2HG GLU 69 20.617 10.969 2.214 427 H LYS 70 H LYS 70 16.895 8.688 2.700 428 HA LYS 70 HA LYS 70 18.138 9.555 5.243 429 HB3 LYS 70 2HB LYS 70 16.117 8.717 6.415 430 HG3 LYS 70 2HG LYS 70 14.666 10.495 4.640 431 HD3 LYS 70 2HD LYS 70 14.336 10.056 7.141 432 HE3 LYS 70 2HE LYS 70 16.909 10.715 7.449 433 HZ1 LYS 70 3HZ LYS 70 15.471 13.293 7.607 434 HZ2 LYS 70 1HZ LYS 70 16.767 12.968 6.667 435 HZ3 LYS 70 2HZ LYS 70 16.939 13.044 8.296 436 H THR 71 H THR 71 18.144 7.848 6.804 437 HA THR 71 HA THR 71 19.319 5.422 6.223 438 HB THR 71 HB THR 71 19.190 6.703 8.358 439 HG1 THR 71 1HG THR 71 19.284 4.936 9.647 440 HG21 THR 71 3HG2 THR 71 16.554 5.283 8.758 441 HG22 THR 71 1HG2 THR 71 16.666 6.974 8.239 442 HG23 THR 71 2HG2 THR 71 17.303 6.509 9.819 443 HA PRO 72 HA PRO 72 15.832 3.004 4.789 444 HB3 PRO 72 2HB PRO 72 17.399 1.520 3.867 445 HG3 PRO 72 2HG PRO 72 19.420 1.033 4.965 446 HD3 PRO 72 2HD PRO 72 19.400 3.383 4.886 447 H TYR 73 H TYR 73 14.186 1.582 5.660 448 HA TYR 73 HA TYR 73 14.313 0.378 8.232 449 HB3 TYR 73 2HB TYR 73 14.013 2.526 9.227 450 HD1 TYR 73 1HD TYR 73 10.697 2.382 7.423 451 HD2 TYR 73 2HD TYR 73 14.309 4.636 8.154 452 HE1 TYR 73 1HE TYR 73 9.715 4.364 6.304 453 HE2 TYR 73 2HE TYR 73 13.315 6.601 7.059 454 HH TYR 73 HH TYR 73 11.472 7.188 5.487 455 H TYR 74 H TYR 74 11.857 -0.300 8.799 456 HA TYR 74 HA TYR 74 10.513 -0.949 6.239 457 HB3 TYR 74 2HB TYR 74 9.445 -2.819 7.461 458 HD1 TYR 74 1HD TYR 74 13.109 -2.449 8.342 459 HD2 TYR 74 2HD TYR 74 10.175 -4.449 5.894 460 HE1 TYR 74 1HE TYR 74 14.860 -3.883 7.445 461 HE2 TYR 74 2HE TYR 74 11.949 -5.951 5.017 462 HH TYR 74 HH TYR 74 15.214 -5.961 6.387 463 H LEU 75 H LEU 75 8.217 -0.794 6.251 464 HA LEU 75 HA LEU 75 7.038 1.106 8.232 465 HB3 LEU 75 2HB LEU 75 5.534 1.714 6.218 466 HG LEU 75 HG LEU 75 8.463 2.491 5.989 467 HD11 LEU 75 1HD1 LEU 75 7.590 4.396 4.654 468 HD12 LEU 75 2HD1 LEU 75 5.945 3.741 4.782 469 HD13 LEU 75 3HD1 LEU 75 7.194 2.851 3.899 470 HD21 LEU 75 3HD2 LEU 75 7.607 3.213 8.151 471 HD22 LEU 75 1HD2 LEU 75 6.087 3.783 7.421 472 HD23 LEU 75 2HD2 LEU 75 7.611 4.625 7.105 473 H ASP 76 H ASP 76 5.321 0.529 9.191 474 HA ASP 76 HA ASP 76 4.004 -1.994 8.593 475 HB3 ASP 76 2HB ASP 76 4.137 -1.945 10.764 476 H CYS 77 H CYS 77 2.292 -2.199 7.395 477 HA CYS 77 HA CYS 77 0.153 -0.296 7.428 478 HB3 CYS 77 2HB CYS 77 1.110 0.645 5.424 479 HG CYS 77 HG CYS 77 3.208 -0.878 5.296 480 H LYS 78 H LYS 78 -1.736 -1.312 6.374 481 HA LYS 78 HA LYS 78 -1.511 -4.231 5.932 482 HB3 LYS 78 2HB LYS 78 -3.609 -4.603 6.917 483 HG3 LYS 78 2HG LYS 78 -1.470 -4.496 8.407 484 HD3 LYS 78 2HD LYS 78 -3.185 -2.207 9.430 485 HE3 LYS 78 2HE LYS 78 -2.332 -3.890 11.159 486 HZ1 LYS 78 3HZ LYS 78 -0.075 -3.583 11.831 487 HZ2 LYS 78 1HZ LYS 78 0.261 -2.590 10.584 488 HZ3 LYS 78 2HZ LYS 78 -0.078 -4.192 10.313 489 H ILE 79 H ILE 79 -3.224 -4.996 4.322 490 HA ILE 79 HA ILE 79 -4.745 -2.880 2.985 491 HB ILE 79 HB ILE 79 -2.488 -3.336 1.796 492 HG13 ILE 79 2HG1 ILE 79 -4.168 -2.086 0.647 493 HG21 ILE 79 1HG2 ILE 79 -2.196 -5.256 0.477 494 HG22 ILE 79 2HG2 ILE 79 -2.586 -5.826 2.099 495 HG23 ILE 79 3HG2 ILE 79 -3.824 -5.884 0.832 496 HD11 ILE 79 3HD1 ILE 79 -4.246 -2.815 -1.681 497 HD12 ILE 79 1HD1 ILE 79 -2.682 -3.393 -1.088 498 HD13 ILE 79 2HD1 ILE 79 -4.074 -4.492 -1.225 499 H SER 80 H SER 80 -6.651 -3.794 1.996 500 HA SER 80 HA SER 80 -6.804 -6.709 1.875 501 HB3 SER 80 2HB SER 80 -9.205 -5.583 3.187 502 HG SER 80 HG SER 80 -8.880 -7.540 4.394 503 H GLY 81 H GLY 81 -6.847 -4.467 -0.000 504 HA2 GLY 81 1HA GLY 81 -7.805 -5.353 -2.146 505 HA3 GLY 81 2HA GLY 81 -9.404 -5.003 -1.465 506 H THR 82 H THR 82 -10.062 -2.787 -1.183 507 HA THR 82 HA THR 82 -8.259 -0.901 -2.614 508 HB THR 82 HB THR 82 -10.098 0.371 -3.342 509 HG1 THR 82 1HG THR 82 -11.870 -1.589 -2.308 510 HG21 THR 82 3HG2 THR 82 -11.001 -1.164 -5.010 511 HG22 THR 82 1HG2 THR 82 -10.505 -2.564 -4.049 512 HG23 THR 82 2HG2 THR 82 -9.284 -1.488 -4.745 513 H THR 83 H THR 83 -9.051 -1.623 0.537 514 HA THR 83 HA THR 83 -8.633 1.188 1.370 515 HB THR 83 HB THR 83 -8.886 -1.256 3.117 516 HG1 THR 83 1HG THR 83 -10.769 -1.189 1.969 517 HG21 THR 83 3HG2 THR 83 -9.695 0.408 4.807 518 HG22 THR 83 1HG2 THR 83 -9.490 1.716 3.618 519 HG23 THR 83 2HG2 THR 83 -8.085 0.822 4.245 520 H LEU 84 H LEU 84 -6.623 1.866 2.081 521 HA LEU 84 HA LEU 84 -4.484 -0.136 2.678 522 HB3 LEU 84 2HB LEU 84 -3.883 2.786 2.586 523 HG LEU 84 HG LEU 84 -2.419 0.642 1.114 524 HD11 LEU 84 1HD1 LEU 84 -0.657 2.260 0.962 525 HD12 LEU 84 2HD1 LEU 84 -1.519 3.384 2.029 526 HD13 LEU 84 3HD1 LEU 84 -2.151 3.022 0.424 527 HD21 LEU 84 3HD2 LEU 84 -0.684 0.768 2.913 528 HD22 LEU 84 1HD2 LEU 84 -2.102 -0.231 3.175 529 HD23 LEU 84 2HD2 LEU 84 -1.992 1.357 3.967 530 H LYS 85 H LYS 85 -3.972 -0.205 4.837 531 HA LYS 85 HA LYS 85 -4.731 2.111 6.581 532 HB3 LYS 85 2HB LYS 85 -4.669 -0.868 7.264 533 HG3 LYS 85 2HG LYS 85 -5.067 1.634 8.896 534 HD3 LYS 85 2HD LYS 85 -6.241 -1.055 9.696 535 HE3 LYS 85 2HE LYS 85 -6.218 1.745 10.906 536 HZ1 LYS 85 3HZ LYS 85 -8.349 0.593 11.391 537 HZ2 LYS 85 1HZ LYS 85 -7.379 0.791 12.720 538 HZ3 LYS 85 2HZ LYS 85 -7.476 -0.657 12.074 539 H VAL 86 H VAL 86 -2.707 3.109 6.109 540 HA VAL 86 HA VAL 86 -0.206 1.697 6.745 541 HB VAL 86 HB VAL 86 -0.648 4.658 6.284 542 HG11 VAL 86 1HG1 VAL 86 1.465 4.192 7.398 543 HG12 VAL 86 2HG1 VAL 86 1.832 2.869 6.307 544 HG13 VAL 86 3HG1 VAL 86 1.830 4.548 5.711 545 HG21 VAL 86 3HG2 VAL 86 -1.371 3.487 4.257 546 HG22 VAL 86 1HG2 VAL 86 0.169 4.286 3.974 547 HG23 VAL 86 2HG2 VAL 86 0.126 2.535 4.231 548 H GLU 87 H GLU 87 0.675 1.530 8.827 549 HA GLU 87 HA GLU 87 -0.769 2.728 11.043 550 HB3 GLU 87 2HB GLU 87 1.062 1.510 12.275 551 HG3 GLU 87 2HG GLU 87 0.063 -0.699 11.555 552 H THR 88 H THR 88 2.644 2.903 9.689 553 HA THR 88 HA THR 88 3.054 5.427 11.217 554 HB THR 88 HB THR 88 3.952 3.314 12.278 555 HG1 THR 88 1HG THR 88 4.957 4.941 13.138 556 HG21 THR 88 3HG2 THR 88 6.054 3.538 10.076 557 HG22 THR 88 1HG2 THR 88 4.813 2.264 10.152 558 HG23 THR 88 2HG2 THR 88 6.031 2.397 11.429 559 H GLY 89 H GLY 89 5.283 6.441 10.544 560 HA2 GLY 89 1HA GLY 89 6.718 7.212 8.956 561 HA3 GLY 89 2HA GLY 89 5.897 6.280 7.724 562 H SER 90 H SER 90 6.361 8.503 6.794 563 HA SER 90 HA SER 90 4.775 10.774 7.494 564 HB3 SER 90 2HB SER 90 5.528 10.334 4.625 565 HG SER 90 HG SER 90 5.621 12.457 6.532 566 H GLU 91 H GLU 91 3.993 7.870 5.780 567 HA GLU 91 HA GLU 91 1.544 9.116 4.680 568 HB3 GLU 91 2HB GLU 91 1.410 7.325 3.177 569 HG3 GLU 91 2HG GLU 91 3.358 9.217 3.064 570 H ALA 92 H ALA 92 2.012 7.997 7.587 571 HA ALA 92 HA ALA 92 0.167 5.933 8.119 572 HB1 ALA 92 1HB ALA 92 1.689 6.832 9.810 573 HB2 ALA 92 2HB ALA 92 0.887 8.409 9.737 574 HB3 ALA 92 3HB ALA 92 0.009 7.002 10.364 575 H GLY 93 H GLY 93 -1.829 5.859 7.361 576 HA2 GLY 93 1HA GLY 93 -3.921 7.536 8.219 577 HA3 GLY 93 2HA GLY 93 -3.470 8.119 6.622 578 H THR 94 H THR 94 -5.778 7.554 6.301 579 HA THR 94 HA THR 94 -6.334 4.682 5.763 580 HB THR 94 HB THR 94 -8.741 5.474 5.978 581 HG1 THR 94 1HG THR 94 -8.766 7.675 5.875 582 HG21 THR 94 3HG2 THR 94 -6.961 5.982 8.405 583 HG22 THR 94 1HG2 THR 94 -7.549 4.388 7.867 584 HG23 THR 94 2HG2 THR 94 -8.695 5.619 8.432 585 H TYR 95 H TYR 95 -6.295 4.162 3.590 586 HA TYR 95 HA TYR 95 -6.878 6.392 1.680 587 HB3 TYR 95 2HB TYR 95 -5.104 5.652 0.268 588 HD1 TYR 95 1HD TYR 95 -3.625 4.675 3.557 589 HD2 TYR 95 2HD TYR 95 -4.402 7.892 0.793 590 HE1 TYR 95 1HE TYR 95 -2.082 6.095 4.781 591 HE2 TYR 95 2HE TYR 95 -2.871 9.358 2.069 592 HH TYR 95 HH TYR 95 -0.945 8.095 4.761 593 H LYS 96 H LYS 96 -7.194 5.695 -0.525 594 HA LYS 96 HA LYS 96 -9.012 3.378 -0.842 595 HB3 LYS 96 2HB LYS 96 -10.283 4.844 -2.374 596 HG3 LYS 96 2HG LYS 96 -11.243 6.483 -0.859 597 HD3 LYS 96 2HD LYS 96 -10.513 4.118 0.908 598 HE3 LYS 96 2HE LYS 96 -13.137 5.594 0.438 599 HZ1 LYS 96 3HZ LYS 96 -13.237 3.405 1.553 600 HZ2 LYS 96 1HZ LYS 96 -13.749 4.658 2.482 601 HZ3 LYS 96 2HZ LYS 96 -12.287 4.015 2.786 602 H LYS 97 H LYS 97 -8.331 2.078 -2.533 603 HA LYS 97 HA LYS 97 -5.961 2.618 -4.034 604 HB3 LYS 97 2HB LYS 97 -8.236 0.677 -4.631 605 HG3 LYS 97 2HG LYS 97 -5.463 0.961 -5.810 606 HD3 LYS 97 2HD LYS 97 -6.802 -1.402 -6.777 607 HE3 LYS 97 2HE LYS 97 -4.395 -1.766 -5.052 608 HZ1 LYS 97 3HZ LYS 97 -3.512 -2.480 -7.235 609 HZ2 LYS 97 1HZ LYS 97 -4.951 -2.152 -7.924 610 HZ3 LYS 97 2HZ LYS 97 -4.833 -3.358 -6.811 611 H GLN 98 H GLN 98 -5.668 3.147 -6.199 612 HA GLN 98 HA GLN 98 -7.821 3.897 -7.910 613 HB3 GLN 98 2HB GLN 98 -7.731 6.129 -7.495 614 HG3 GLN 98 2HG GLN 98 -5.015 5.899 -6.265 615 HE21 GLN 98 1HE2 GLN 98 -8.025 7.742 -5.718 616 HE22 GLN 98 2HE2 GLN 98 -7.309 9.334 -5.899 617 H LYS 99 H LYS 99 -7.213 4.013 -10.017 618 HA LYS 99 HA LYS 99 -6.359 3.084 -11.859 619 HB3 LYS 99 2HB LYS 99 -4.037 3.760 -12.415 620 HG3 LYS 99 2HG LYS 99 -5.777 5.901 -11.116 621 HD3 LYS 99 2HD LYS 99 -3.355 6.505 -11.949 622 HE3 LYS 99 2HE LYS 99 -3.384 7.327 -14.260 623 HZ1 LYS 99 3HZ LYS 99 -2.619 5.030 -13.929 624 HZ2 LYS 99 1HZ LYS 99 -3.112 5.381 -15.439 625 HZ3 LYS 99 2HZ LYS 99 -4.067 4.474 -14.477 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -7.792 -7.436 16.862 2 HA2 GLY 1 1HA GLY 1 -7.475 -4.733 15.692 3 HA3 GLY 1 2HA GLY 1 -6.461 -6.142 15.286 4 H GLU 2 H GLU 2 -7.000 -6.235 13.121 5 HA GLU 2 HA GLU 2 -9.791 -6.831 12.349 6 HB3 GLU 2 2HB GLU 2 -9.249 -5.331 10.359 7 HG3 GLU 2 2HG GLU 2 -9.670 -4.180 13.089 8 H ASP 3 H ASP 3 -9.499 -7.464 9.829 9 HA ASP 3 HA ASP 3 -7.834 -9.893 10.267 10 HB3 ASP 3 2HB ASP 3 -9.606 -11.086 9.323 11 H TRP 4 H TRP 4 -6.461 -8.134 9.110 12 HA TRP 4 HA TRP 4 -6.859 -7.712 6.274 13 HB3 TRP 4 2HB TRP 4 -4.611 -6.661 6.445 14 HD1 TRP 4 HD TRP 4 -6.111 -5.715 9.826 15 HE1 TRP 4 1HE TRP 4 -7.360 -3.440 9.629 16 HE3 TRP 4 3HE TRP 4 -5.958 -5.215 4.847 17 HZ2 TRP 4 2HZ TRP 4 -8.125 -1.590 7.440 18 HZ3 TRP 4 3HZ TRP 4 -6.861 -3.161 3.675 19 HH2 TRP 4 HH TRP 4 -7.923 -1.389 5.037 20 H THR 5 H THR 5 -5.454 -8.408 4.509 21 HA THR 5 HA THR 5 -4.439 -11.124 4.779 22 HB THR 5 HB THR 5 -3.632 -10.566 2.352 23 HG1 THR 5 1HG THR 5 -4.225 -8.204 2.767 24 HG21 THR 5 3HG2 THR 5 -6.625 -10.507 2.701 25 HG22 THR 5 1HG2 THR 5 -5.642 -11.946 2.981 26 HG23 THR 5 2HG2 THR 5 -5.628 -11.193 1.383 27 H GLU 6 H GLU 6 -2.309 -11.554 3.738 28 HA GLU 6 HA GLU 6 -0.022 -10.386 4.896 29 HB3 GLU 6 2HB GLU 6 1.044 -11.326 2.718 30 HG3 GLU 6 2HG GLU 6 1.142 -12.447 4.840 31 H LEU 7 H LEU 7 1.046 -8.582 4.452 32 HA LEU 7 HA LEU 7 0.441 -6.976 2.050 33 HB3 LEU 7 2HB LEU 7 2.760 -6.903 4.044 34 HG LEU 7 HG LEU 7 3.101 -5.583 1.901 35 HD11 LEU 7 1HD1 LEU 7 0.743 -4.034 3.039 36 HD12 LEU 7 2HD1 LEU 7 0.815 -4.856 1.457 37 HD13 LEU 7 3HD1 LEU 7 1.819 -3.429 1.750 38 HD21 LEU 7 3HD2 LEU 7 4.260 -4.983 3.914 39 HD22 LEU 7 1HD2 LEU 7 2.819 -4.146 4.558 40 HD23 LEU 7 2HD2 LEU 7 3.686 -3.493 3.148 41 H ASN 8 H ASN 8 1.433 -7.336 0.145 42 HA ASN 8 HA ASN 8 3.922 -8.861 -0.010 43 HB3 ASN 8 2HB ASN 8 3.158 -10.180 -1.914 44 HD21 ASN 8 1HD2 ASN 8 0.111 -10.900 -0.816 45 HD22 ASN 8 2HD2 ASN 8 0.578 -12.115 0.357 46 H SER 9 H SER 9 4.886 -8.459 -2.102 47 HA SER 9 HA SER 9 5.081 -5.757 -2.763 48 HB3 SER 9 2HB SER 9 5.674 -8.038 -4.688 49 HG SER 9 HG SER 9 6.891 -6.633 -5.606 50 H ASN 10 H ASN 10 3.252 -8.279 -4.433 51 HA ASN 10 HA ASN 10 2.295 -6.635 -6.558 52 HB3 ASN 10 2HB ASN 10 1.622 -8.549 -7.494 53 HD21 ASN 10 1HD2 ASN 10 3.809 -9.492 -7.674 54 HD22 ASN 10 2HD2 ASN 10 4.439 -10.546 -6.441 55 H ASN 11 H ASN 11 1.088 -7.209 -3.277 56 HA ASN 11 HA ASN 11 -1.700 -6.810 -3.915 57 HB3 ASN 11 2HB ASN 11 -1.875 -6.286 -1.430 58 HD21 ASN 11 1HD2 ASN 11 -1.161 -8.491 0.285 59 HD22 ASN 11 2HD2 ASN 11 -2.012 -9.768 -0.420 60 H ILE 12 H ILE 12 0.962 -4.604 -3.029 61 HA ILE 12 HA ILE 12 -0.923 -2.425 -2.563 62 HB ILE 12 HB ILE 12 0.855 -2.859 -1.042 63 HG13 ILE 12 2HG1 ILE 12 0.261 -0.292 -2.092 64 HG21 ILE 12 1HG2 ILE 12 2.813 -2.289 -3.282 65 HG22 ILE 12 2HG2 ILE 12 3.225 -2.397 -1.557 66 HG23 ILE 12 3HG2 ILE 12 2.606 -3.811 -2.381 67 HD11 ILE 12 3HD1 ILE 12 1.642 -1.027 0.488 68 HD12 ILE 12 1HD1 ILE 12 0.845 0.517 0.070 69 HD13 ILE 12 2HD1 ILE 12 -0.121 -0.970 0.197 70 H ILE 13 H ILE 13 0.510 -3.637 -5.342 71 HA ILE 13 HA ILE 13 1.266 -1.324 -6.744 72 HB ILE 13 HB ILE 13 0.130 -3.959 -7.755 73 HG13 ILE 13 2HG1 ILE 13 2.561 -4.570 -8.044 74 HG21 ILE 13 1HG2 ILE 13 0.145 -2.273 -9.516 75 HG22 ILE 13 2HG2 ILE 13 1.855 -1.914 -9.212 76 HG23 ILE 13 3HG2 ILE 13 1.358 -3.513 -9.801 77 HD11 ILE 13 3HD1 ILE 13 3.475 -2.187 -7.622 78 HD12 ILE 13 1HD1 ILE 13 3.158 -2.495 -5.912 79 HD13 ILE 13 2HD1 ILE 13 4.287 -3.539 -6.801 80 H GLY 14 H GLY 14 0.182 0.339 -7.538 81 HA2 GLY 14 1HA GLY 14 -2.004 0.589 -9.058 82 HA3 GLY 14 2HA GLY 14 -2.735 0.349 -7.493 83 H TYR 15 H TYR 15 -3.412 2.649 -8.346 84 HA TYR 15 HA TYR 15 -1.714 4.743 -7.055 85 HB3 TYR 15 2HB TYR 15 -3.838 6.084 -7.776 86 HD1 TYR 15 1HD TYR 15 -1.000 4.340 -9.542 87 HD2 TYR 15 2HD TYR 15 -3.806 7.627 -9.555 88 HE1 TYR 15 1HE TYR 15 0.290 5.427 -11.315 89 HE2 TYR 15 2HE TYR 15 -2.533 8.698 -11.376 90 HH TYR 15 HH TYR 15 0.544 7.445 -12.660 91 H TRP 16 H TRP 16 -2.704 5.896 -5.298 92 HA TRP 16 HA TRP 16 -4.973 4.642 -3.807 93 HB3 TRP 16 2HB TRP 16 -3.697 5.296 -1.790 94 HD1 TRP 16 HD TRP 16 -0.664 3.819 -3.515 95 HE1 TRP 16 1HE TRP 16 -0.426 1.400 -2.877 96 HE3 TRP 16 3HE TRP 16 -5.347 3.089 -1.623 97 HZ2 TRP 16 2HZ TRP 16 -2.159 -0.709 -1.916 98 HZ3 TRP 16 3HZ TRP 16 -6.102 0.747 -1.059 99 HH2 TRP 16 HH TRP 16 -4.552 -1.117 -1.218 100 H SER 17 H SER 17 -5.770 6.439 -2.116 101 HA SER 17 HA SER 17 -4.797 9.071 -2.301 102 HB3 SER 17 2HB SER 17 -7.557 8.583 -3.492 103 HG SER 17 HG SER 17 -7.939 10.657 -3.363 104 H THR 18 H THR 18 -6.127 10.444 -0.782 105 HA THR 18 HA THR 18 -7.760 8.962 1.193 106 HB THR 18 HB THR 18 -5.503 9.006 2.004 107 HG1 THR 18 1HG THR 18 -6.781 8.874 3.589 108 HG21 THR 18 3HG2 THR 18 -4.394 10.953 1.201 109 HG22 THR 18 1HG2 THR 18 -4.504 11.127 2.944 110 HG23 THR 18 2HG2 THR 18 -5.632 12.031 1.914 111 H GLY 19 H GLY 19 -7.681 11.544 -0.991 112 HA2 GLY 19 1HA GLY 19 -10.065 12.620 -0.528 113 HA3 GLY 19 2HA GLY 19 -9.109 13.454 0.710 114 H ILE 20 H ILE 20 -10.050 15.141 -0.841 115 HA ILE 20 HA ILE 20 -8.139 15.840 -3.018 116 HB ILE 20 HB ILE 20 -10.152 16.376 -4.394 117 HG13 ILE 20 2HG1 ILE 20 -11.780 16.563 -2.461 118 HG21 ILE 20 1HG2 ILE 20 -8.894 14.276 -4.682 119 HG22 ILE 20 2HG2 ILE 20 -9.991 13.440 -3.562 120 HG23 ILE 20 3HG2 ILE 20 -10.586 14.092 -5.092 121 HD11 ILE 20 3HD1 ILE 20 -13.714 15.662 -3.562 122 HD12 ILE 20 1HD1 ILE 20 -12.624 16.304 -4.802 123 HD13 ILE 20 2HD1 ILE 20 -12.732 14.554 -4.530 124 H GLU 21 H GLU 21 -8.891 16.877 -0.149 125 HA GLU 21 HA GLU 21 -9.584 19.691 -0.874 126 HB3 GLU 21 2HB GLU 21 -11.435 18.361 0.127 127 HG3 GLU 21 2HG GLU 21 -9.606 18.249 2.587 128 H GLY 22 H GLY 22 -9.170 21.138 1.134 129 HA2 GLY 22 1HA GLY 22 -7.790 22.064 2.713 130 HA3 GLY 22 2HA GLY 22 -8.162 20.483 3.405 131 H THR 23 H THR 23 -6.517 18.902 3.564 132 HA THR 23 HA THR 23 -4.133 19.237 1.991 133 HB THR 23 HB THR 23 -3.944 18.779 4.978 134 HG1 THR 23 1HG THR 23 -3.008 20.671 5.075 135 HG21 THR 23 3HG2 THR 23 -1.511 18.634 4.615 136 HG22 THR 23 1HG2 THR 23 -1.755 18.797 2.859 137 HG23 THR 23 2HG2 THR 23 -2.335 17.351 3.711 138 H HIS 24 H HIS 24 -3.796 17.330 0.935 139 HA HIS 24 HA HIS 24 -4.734 14.818 2.089 140 HB3 HIS 24 2HB HIS 24 -6.605 15.548 0.720 141 HD1 HIS 24 1HD HIS 24 -6.442 17.931 -0.539 142 HD2 HIS 24 2HD HIS 24 -4.600 14.657 -2.416 143 HE1 HIS 24 1HE HIS 24 -6.087 18.612 -2.983 144 H LYS 25 H LYS 25 -3.951 13.094 0.165 145 HA LYS 25 HA LYS 25 -1.276 13.665 -0.743 146 HB3 LYS 25 2HB LYS 25 -0.200 13.230 1.160 147 HG3 LYS 25 2HG LYS 25 -2.462 11.592 2.206 148 HD3 LYS 25 2HD LYS 25 -0.032 11.445 3.263 149 HE3 LYS 25 2HE LYS 25 -1.211 13.973 4.457 150 HZ1 LYS 25 3HZ LYS 25 0.844 12.169 5.572 151 HZ2 LYS 25 1HZ LYS 25 -0.580 12.635 6.255 152 HZ3 LYS 25 2HZ LYS 25 0.659 13.716 6.061 153 H LEU 26 H LEU 26 -0.435 12.028 -1.972 154 HA LEU 26 HA LEU 26 -2.361 10.017 -3.004 155 HB3 LEU 26 2HB LEU 26 -0.491 11.579 -4.813 156 HG LEU 26 HG LEU 26 -2.131 11.312 -6.488 157 HD11 LEU 26 1HD1 LEU 26 -2.512 8.968 -6.761 158 HD12 LEU 26 2HD1 LEU 26 -2.271 8.662 -5.048 159 HD13 LEU 26 3HD1 LEU 26 -0.905 9.211 -6.061 160 HD21 LEU 26 3HD2 LEU 26 -4.376 10.541 -6.167 161 HD22 LEU 26 1HD2 LEU 26 -4.090 11.904 -5.098 162 HD23 LEU 26 2HD2 LEU 26 -4.099 10.260 -4.433 163 H LEU 27 H LEU 27 -1.464 8.061 -3.086 164 HA LEU 27 HA LEU 27 1.491 7.722 -3.276 165 HB3 LEU 27 2HB LEU 27 0.101 5.378 -2.299 166 HG LEU 27 HG LEU 27 2.542 6.343 -1.689 167 HD11 LEU 27 1HD1 LEU 27 2.077 8.254 -1.389 168 HD12 LEU 27 2HD1 LEU 27 2.729 7.568 0.099 169 HD13 LEU 27 3HD1 LEU 27 0.950 8.034 -0.046 170 HD21 LEU 27 3HD2 LEU 27 0.911 5.600 0.794 171 HD22 LEU 27 1HD2 LEU 27 2.582 5.198 0.447 172 HD23 LEU 27 2HD2 LEU 27 1.263 4.323 -0.361 173 H SER 28 H SER 28 2.304 6.445 -4.906 174 HA SER 28 HA SER 28 0.384 4.929 -6.575 175 HB3 SER 28 2HB SER 28 1.215 5.933 -8.550 176 HG SER 28 HG SER 28 1.036 8.235 -8.206 177 H PHE 29 H PHE 29 1.246 2.978 -7.158 178 HA PHE 29 HA PHE 29 4.116 2.365 -6.550 179 HB3 PHE 29 2HB PHE 29 3.200 0.155 -5.728 180 HD1 PHE 29 2HD PHE 29 1.322 3.202 -4.509 181 HD2 PHE 29 1HD PHE 29 4.209 0.139 -3.576 182 HE1 PHE 29 2HE PHE 29 1.921 4.352 -2.451 183 HE2 PHE 29 1HE PHE 29 4.505 1.145 -1.317 184 HZ PHE 29 HZ PHE 29 3.443 3.374 -0.812 185 H ASP 30 H ASP 30 5.010 1.904 -8.580 186 HA ASP 30 HA ASP 30 3.441 0.574 -10.683 187 HB3 ASP 30 2HB ASP 30 5.882 0.427 -11.620 188 H GLU 31 H GLU 31 4.022 -1.561 -11.392 189 HA GLU 31 HA GLU 31 4.497 -3.303 -9.166 190 HB3 GLU 31 2HB GLU 31 4.393 -4.107 -12.084 191 HG3 GLU 31 2HG GLU 31 2.598 -5.466 -10.196 192 H ASP 32 H ASP 32 6.518 -2.108 -11.718 193 HA ASP 32 HA ASP 32 8.649 -4.069 -10.962 194 HB3 ASP 32 2HB ASP 32 8.059 -3.221 -13.758 195 H GLY 33 H GLY 33 8.048 -1.117 -10.467 196 HA2 GLY 33 1HA GLY 33 10.651 0.035 -11.408 197 HA3 GLY 33 2HA GLY 33 9.137 0.929 -11.571 198 H THR 34 H THR 34 8.597 2.262 -9.860 199 HA THR 34 HA THR 34 9.546 1.708 -7.123 200 HB THR 34 HB THR 34 10.198 4.149 -6.957 201 HG1 THR 34 1HG THR 34 10.527 4.152 -9.746 202 HG21 THR 34 3HG2 THR 34 11.912 2.527 -8.873 203 HG22 THR 34 1HG2 THR 34 11.948 2.441 -7.113 204 HG23 THR 34 2HG2 THR 34 12.422 3.936 -7.937 205 H GLY 35 H GLY 35 8.450 3.854 -5.803 206 HA2 GLY 35 1HA GLY 35 5.886 4.509 -7.116 207 HA3 GLY 35 2HA GLY 35 5.829 3.852 -5.498 208 H SER 36 H SER 36 4.754 6.180 -5.563 209 HA SER 36 HA SER 36 6.815 8.229 -4.927 210 HB3 SER 36 2HB SER 36 6.343 8.471 -7.264 211 HG SER 36 HG SER 36 3.603 8.667 -6.514 212 H PHE 37 H PHE 37 6.063 10.107 -3.854 213 HA PHE 37 HA PHE 37 3.496 9.813 -2.415 214 HB3 PHE 37 2HB PHE 37 6.232 10.463 -1.277 215 HD1 PHE 37 1HD PHE 37 2.740 9.736 -0.376 216 HD2 PHE 37 2HD PHE 37 6.359 11.707 0.728 217 HE1 PHE 37 1HE PHE 37 1.530 10.794 1.578 218 HE2 PHE 37 2HE PHE 37 5.280 12.616 2.757 219 HZ PHE 37 HZ PHE 37 2.851 12.163 3.196 220 H GLY 38 H GLY 38 2.286 11.584 -3.032 221 HA2 GLY 38 1HA GLY 38 3.689 14.201 -3.164 222 HA3 GLY 38 2HA GLY 38 2.433 13.756 -4.310 223 H ILE 39 H ILE 39 2.991 15.387 -1.462 224 HA ILE 39 HA ILE 39 0.263 14.988 -0.275 225 HB ILE 39 HB ILE 39 2.418 16.938 0.623 226 HG13 ILE 39 2HG1 ILE 39 3.412 14.712 0.800 227 HG21 ILE 39 1HG2 ILE 39 0.028 15.797 2.116 228 HG22 ILE 39 2HG2 ILE 39 1.152 17.047 2.698 229 HG23 ILE 39 3HG2 ILE 39 0.073 17.400 1.363 230 HD11 ILE 39 3HD1 ILE 39 2.361 15.301 3.576 231 HD12 ILE 39 1HD1 ILE 39 3.858 14.505 3.114 232 HD13 ILE 39 2HD1 ILE 39 3.670 16.242 2.801 233 H TYR 40 H TYR 40 -1.226 16.748 -0.515 234 HA TYR 40 HA TYR 40 -0.479 19.098 -2.165 235 HB3 TYR 40 2HB TYR 40 -2.747 18.874 -3.227 236 HD1 TYR 40 1HD TYR 40 -1.477 15.345 -3.151 237 HD2 TYR 40 2HD TYR 40 -1.698 19.045 -5.359 238 HE1 TYR 40 1HE TYR 40 -0.705 14.180 -5.190 239 HE2 TYR 40 2HE TYR 40 -0.979 17.855 -7.413 240 HH TYR 40 HH TYR 40 -0.038 15.844 -8.263 241 H SER 41 H SER 41 -1.950 20.897 -1.712 242 HA SER 41 HA SER 41 -3.708 20.609 0.630 243 HB3 SER 41 2HB SER 41 -3.161 23.255 0.647 244 HG SER 41 HG SER 41 -2.966 21.573 2.370 245 H ASN 42 H ASN 42 -5.675 21.092 0.141 246 HA ASN 42 HA ASN 42 -7.536 21.466 -1.017 247 HB3 ASN 42 2HB ASN 42 -6.606 24.140 -1.935 248 HD21 ASN 42 1HD2 ASN 42 -8.262 24.202 1.014 249 HD22 ASN 42 2HD2 ASN 42 -9.899 24.155 0.407 250 H ALA 43 H ALA 43 -5.401 23.141 -3.320 251 HA ALA 43 HA ALA 43 -5.855 21.092 -5.348 252 HB1 ALA 43 1HB ALA 43 -7.838 22.592 -5.535 253 HB2 ALA 43 2HB ALA 43 -6.744 23.956 -5.865 254 HB3 ALA 43 3HB ALA 43 -6.820 22.557 -6.976 255 H THR 44 H THR 44 -3.550 22.022 -3.863 256 HA THR 44 HA THR 44 -1.733 23.117 -5.934 257 HB THR 44 HB THR 44 -2.161 24.064 -3.054 258 HG1 THR 44 1HG THR 44 -2.805 25.950 -4.058 259 HG21 THR 44 3HG2 THR 44 -0.500 25.819 -3.602 260 HG22 THR 44 1HG2 THR 44 -0.193 25.064 -5.175 261 HG23 THR 44 2HG2 THR 44 0.238 24.214 -3.673 262 HA PRO 45 HA PRO 45 0.576 19.636 -4.225 263 HB3 PRO 45 2HB PRO 45 1.254 19.299 -6.409 264 HG3 PRO 45 2HG PRO 45 1.794 21.170 -7.852 265 HD3 PRO 45 2HD PRO 45 -0.354 21.715 -7.079 266 H ILE 46 H ILE 46 1.859 19.479 -2.387 267 HA ILE 46 HA ILE 46 3.572 21.839 -1.704 268 HB ILE 46 HB ILE 46 1.940 20.194 0.231 269 HG13 ILE 46 2HG1 ILE 46 0.407 22.004 0.487 270 HG21 ILE 46 1HG2 ILE 46 3.542 22.763 0.556 271 HG22 ILE 46 2HG2 ILE 46 2.414 22.112 1.780 272 HG23 ILE 46 3HG2 ILE 46 3.838 21.198 1.324 273 HD11 ILE 46 3HD1 ILE 46 1.649 24.019 -0.094 274 HD12 ILE 46 1HD1 ILE 46 1.842 23.468 -1.768 275 HD13 ILE 46 2HD1 ILE 46 0.232 23.873 -1.141 276 H SER 47 H SER 47 3.582 18.314 -2.029 277 HA SER 47 HA SER 47 6.395 18.403 -1.378 278 HB3 SER 47 2HB SER 47 4.480 17.160 0.556 279 HG SER 47 HG SER 47 6.521 15.678 -0.389 280 H PHE 48 H PHE 48 7.481 16.562 -2.122 281 HA PHE 48 HA PHE 48 6.059 14.669 -3.919 282 HB3 PHE 48 2HB PHE 48 8.039 16.662 -5.081 283 HD1 PHE 48 2HD PHE 48 8.826 14.686 -6.506 284 HD2 PHE 48 1HD PHE 48 4.705 15.875 -6.273 285 HE1 PHE 48 2HE PHE 48 8.374 13.473 -8.617 286 HE2 PHE 48 1HE PHE 48 4.249 14.717 -8.441 287 HZ PHE 48 HZ PHE 48 6.059 13.531 -9.591 288 H GLN 49 H GLN 49 7.341 12.837 -3.902 289 HA GLN 49 HA GLN 49 10.192 12.911 -4.191 290 HB3 GLN 49 2HB GLN 49 10.348 13.238 -1.811 291 HG3 GLN 49 2HG GLN 49 8.228 11.104 -1.523 292 HE21 GLN 49 1HE2 GLN 49 10.306 10.105 -0.270 293 HE22 GLN 49 2HE2 GLN 49 10.088 10.304 1.441 294 H MET 50 H MET 50 10.985 10.597 -4.527 295 HA MET 50 HA MET 50 8.854 8.596 -4.831 296 HB3 MET 50 2HB MET 50 9.597 7.908 -6.993 297 HG3 MET 50 2HG MET 50 9.461 10.918 -7.290 298 HE1 MET 50 3HE MET 50 10.253 9.227 -10.860 299 HE2 MET 50 1HE MET 50 10.896 10.307 -9.601 300 HE3 MET 50 2HE MET 50 10.808 8.565 -9.315 301 H PHE 51 H PHE 51 9.740 6.379 -4.813 302 HA PHE 51 HA PHE 51 12.459 5.949 -4.115 303 HB3 PHE 51 2HB PHE 51 12.128 6.806 -2.014 304 HD1 PHE 51 1HD PHE 51 10.214 8.438 -1.971 305 HD2 PHE 51 2HD PHE 51 9.860 4.315 -0.782 306 HE1 PHE 51 1HE PHE 51 8.241 9.006 -0.563 307 HE2 PHE 51 2HE PHE 51 7.995 4.948 0.773 308 HZ PHE 51 HZ PHE 51 7.204 7.296 0.864 309 H ASP 52 H ASP 52 12.927 3.722 -3.777 310 HA ASP 52 HA ASP 52 10.917 1.877 -4.911 311 HB3 ASP 52 2HB ASP 52 13.645 1.003 -3.931 312 H TYR 53 H TYR 53 10.835 -0.284 -3.806 313 HA TYR 53 HA TYR 53 10.785 -0.130 -0.827 314 HB3 TYR 53 2HB TYR 53 8.625 -0.953 -0.703 315 HD1 TYR 53 2HD TYR 53 8.503 1.550 -0.233 316 HD2 TYR 53 1HD TYR 53 7.609 -0.139 -4.080 317 HE1 TYR 53 2HE TYR 53 7.129 3.558 -0.790 318 HE2 TYR 53 1HE TYR 53 6.270 1.842 -4.654 319 HH TYR 53 HH TYR 53 6.271 4.793 -2.771 320 H LYS 54 H LYS 54 10.780 -2.334 0.183 321 HA LYS 54 HA LYS 54 10.564 -4.566 -1.704 322 HB3 LYS 54 2HB LYS 54 12.160 -5.958 -0.358 323 HG3 LYS 54 2HG LYS 54 14.327 -4.738 -0.891 324 HD3 LYS 54 2HD LYS 54 13.311 -6.415 -2.493 325 HE3 LYS 54 2HE LYS 54 12.608 -3.827 -3.960 326 HZ1 LYS 54 3HZ LYS 54 13.573 -4.925 -5.620 327 HZ2 LYS 54 1HZ LYS 54 12.092 -5.603 -5.749 328 HZ3 LYS 54 2HZ LYS 54 13.315 -6.443 -5.008 329 H ILE 55 H ILE 55 9.454 -6.306 -0.690 330 HA ILE 55 HA ILE 55 8.271 -5.713 1.994 331 HB ILE 55 HB ILE 55 7.199 -7.581 -0.142 332 HG13 ILE 55 2HG1 ILE 55 5.422 -6.010 -0.527 333 HG21 ILE 55 1HG2 ILE 55 6.532 -8.343 2.034 334 HG22 ILE 55 2HG2 ILE 55 6.118 -6.699 2.570 335 HG23 ILE 55 3HG2 ILE 55 5.143 -7.518 1.334 336 HD11 ILE 55 3HD1 ILE 55 5.429 -3.722 0.160 337 HD12 ILE 55 1HD1 ILE 55 5.481 -4.715 1.630 338 HD13 ILE 55 2HD1 ILE 55 6.960 -3.920 1.024 339 H GLU 56 H GLU 56 9.826 -6.581 3.318 340 HA GLU 56 HA GLU 56 10.643 -9.409 2.747 341 HB3 GLU 56 2HB GLU 56 12.540 -7.399 3.958 342 HG3 GLU 56 2HG GLU 56 13.027 -9.878 3.579 343 H GLU 57 H GLU 57 8.637 -8.378 4.554 344 HA GLU 57 HA GLU 57 9.070 -9.740 6.916 345 HB3 GLU 57 2HB GLU 57 9.085 -7.131 8.056 346 HG3 GLU 57 2HG GLU 57 10.756 -9.587 8.242 347 H GLY 58 H GLY 58 6.927 -8.946 4.875 348 HA2 GLY 58 1HA GLY 58 4.616 -8.622 4.913 349 HA3 GLY 58 2HA GLY 58 4.661 -8.901 6.646 350 H ARG 59 H ARG 59 6.729 -6.426 5.418 351 HA ARG 59 HA ARG 59 5.017 -4.119 6.009 352 HB3 ARG 59 2HB ARG 59 6.926 -3.223 7.469 353 HG3 ARG 59 2HG ARG 59 5.596 -5.787 8.437 354 HD3 ARG 59 2HD ARG 59 6.764 -3.557 10.113 355 HE ARG 59 HE ARG 59 4.716 -5.338 10.619 356 HH11 ARG 59 1HH1 ARG 59 7.907 -4.787 12.121 357 HH12 ARG 59 2HH1 ARG 59 7.382 -5.205 13.709 358 HH21 ARG 59 1HH2 ARG 59 4.021 -5.796 12.734 359 HH22 ARG 59 2HH2 ARG 59 5.015 -5.182 14.048 360 H ILE 60 H ILE 60 6.361 -2.130 5.338 361 HA ILE 60 HA ILE 60 7.681 -2.863 2.762 362 HB ILE 60 HB ILE 60 6.750 -0.087 3.563 363 HG13 ILE 60 2HG1 ILE 60 4.803 -1.589 3.632 364 HG21 ILE 60 1HG2 ILE 60 7.106 -1.339 0.823 365 HG22 ILE 60 2HG2 ILE 60 6.942 0.391 1.219 366 HG23 ILE 60 3HG2 ILE 60 8.415 -0.480 1.647 367 HD11 ILE 60 3HD1 ILE 60 4.446 0.689 2.748 368 HD12 ILE 60 1HD1 ILE 60 4.690 0.060 1.090 369 HD13 ILE 60 2HD1 ILE 60 3.334 -0.514 2.060 370 H TYR 61 H TYR 61 9.824 -2.750 2.687 371 HA TYR 61 HA TYR 61 11.405 -1.223 4.675 372 HB3 TYR 61 2HB TYR 61 12.220 -3.079 2.399 373 HD1 TYR 61 2HD TYR 61 13.415 -2.051 5.843 374 HD2 TYR 61 1HD TYR 61 14.405 -2.689 1.702 375 HE1 TYR 61 2HE TYR 61 15.812 -1.688 6.369 376 HE2 TYR 61 1HE TYR 61 16.810 -2.316 2.225 377 HH TYR 61 HH TYR 61 18.303 -1.504 3.815 378 H ILE 62 H ILE 62 11.660 0.898 4.121 379 HA ILE 62 HA ILE 62 11.745 1.741 1.280 380 HB ILE 62 HB ILE 62 12.017 3.460 3.795 381 HG13 ILE 62 2HG1 ILE 62 9.650 4.187 3.416 382 HG21 ILE 62 1HG2 ILE 62 12.867 4.549 1.818 383 HG22 ILE 62 2HG2 ILE 62 11.442 4.116 0.877 384 HG23 ILE 62 3HG2 ILE 62 11.316 5.292 2.206 385 HD11 ILE 62 3HD1 ILE 62 8.074 2.774 2.273 386 HD12 ILE 62 1HD1 ILE 62 9.372 3.128 1.126 387 HD13 ILE 62 2HD1 ILE 62 9.322 1.562 1.929 388 H TYR 63 H TYR 63 13.827 2.374 0.447 389 HA TYR 63 HA TYR 63 16.123 2.480 2.271 390 HB3 TYR 63 2HB TYR 63 15.674 0.056 1.862 391 HD1 TYR 63 2HD TYR 63 13.782 -0.162 0.007 392 HD2 TYR 63 1HD TYR 63 18.002 0.244 -0.899 393 HE1 TYR 63 2HE TYR 63 13.441 -1.261 -2.178 394 HE2 TYR 63 1HE TYR 63 17.644 -0.854 -3.068 395 HH TYR 63 HH TYR 63 15.699 -1.426 -4.669 396 H ASP 64 H ASP 64 14.707 3.646 -0.600 397 HA ASP 64 HA ASP 64 17.272 4.708 -1.501 398 HB3 ASP 64 2HB ASP 64 15.537 2.944 -3.300 399 H VAL 65 H VAL 65 16.655 6.809 -1.360 400 HA VAL 65 HA VAL 65 14.004 7.556 -2.440 401 HB VAL 65 HB VAL 65 15.288 8.707 0.075 402 HG11 VAL 65 1HG1 VAL 65 13.639 10.180 -0.924 403 HG12 VAL 65 2HG1 VAL 65 12.463 8.860 -1.065 404 HG13 VAL 65 3HG1 VAL 65 12.933 9.471 0.531 405 HG21 VAL 65 3HG2 VAL 65 13.649 7.403 1.412 406 HG22 VAL 65 1HG2 VAL 65 13.195 6.498 -0.042 407 HG23 VAL 65 2HG2 VAL 65 14.837 6.379 0.610 408 H TYR 66 H TYR 66 13.834 9.403 -3.499 409 HA TYR 66 HA TYR 66 16.113 11.286 -3.705 410 HB3 TYR 66 2HB TYR 66 15.331 9.378 -5.708 411 HD1 TYR 66 2HD TYR 66 12.795 10.384 -6.025 412 HD2 TYR 66 1HD TYR 66 16.456 11.974 -7.651 413 HE1 TYR 66 2HE TYR 66 11.504 11.609 -7.764 414 HE2 TYR 66 1HE TYR 66 15.200 13.113 -9.411 415 HH TYR 66 HH TYR 66 13.138 13.460 -10.349 416 HA PRO 67 HA PRO 67 16.078 13.120 -5.439 417 HB3 PRO 67 2HB PRO 67 14.958 14.974 -6.266 418 HG3 PRO 67 2HG PRO 67 13.536 16.327 -4.819 419 HD3 PRO 67 2HD PRO 67 12.612 14.144 -4.903 420 H ASP 68 H ASP 68 15.196 13.709 -2.114 421 HA ASP 68 HA ASP 68 18.024 14.217 -1.331 422 HB3 ASP 68 2HB ASP 68 16.735 14.492 0.968 423 H GLU 69 H GLU 69 19.087 12.574 -0.341 424 HA GLU 69 HA GLU 69 17.870 9.950 -0.260 425 HB3 GLU 69 2HB GLU 69 20.069 9.372 0.829 426 HG3 GLU 69 2HG GLU 69 20.422 10.957 -1.748 427 H LYS 70 H LYS 70 17.286 8.761 1.545 428 HA LYS 70 HA LYS 70 17.502 9.988 4.240 429 HB3 LYS 70 2HB LYS 70 15.198 9.321 4.718 430 HG3 LYS 70 2HG LYS 70 14.274 10.352 2.206 431 HD3 LYS 70 2HD LYS 70 13.397 10.973 4.512 432 HE3 LYS 70 2HE LYS 70 15.919 12.700 4.428 433 HZ1 LYS 70 3HZ LYS 70 13.915 12.576 6.580 434 HZ2 LYS 70 1HZ LYS 70 13.956 13.815 5.489 435 HZ3 LYS 70 2HZ LYS 70 15.238 13.558 6.499 436 H THR 71 H THR 71 17.880 8.466 5.851 437 HA THR 71 HA THR 71 19.067 6.022 5.345 438 HB THR 71 HB THR 71 19.281 7.216 7.445 439 HG1 THR 71 1HG THR 71 18.146 4.697 8.083 440 HG21 THR 71 3HG2 THR 71 16.945 7.912 7.739 441 HG22 THR 71 1HG2 THR 71 17.546 7.054 9.172 442 HG23 THR 71 2HG2 THR 71 16.479 6.218 8.026 443 HA PRO 72 HA PRO 72 15.662 3.225 4.451 444 HB3 PRO 72 2HB PRO 72 17.183 1.559 3.878 445 HG3 PRO 72 2HG PRO 72 19.274 1.389 4.986 446 HD3 PRO 72 2HD PRO 72 19.067 3.651 4.266 447 H TYR 73 H TYR 73 13.963 2.084 5.537 448 HA TYR 73 HA TYR 73 14.029 1.506 8.340 449 HB3 TYR 73 2HB TYR 73 13.614 3.799 8.765 450 HD1 TYR 73 2HD TYR 73 10.241 3.344 7.305 451 HD2 TYR 73 1HD TYR 73 13.973 5.444 7.009 452 HE1 TYR 73 2HE TYR 73 9.219 4.960 5.716 453 HE2 TYR 73 1HE TYR 73 12.968 7.063 5.396 454 HH TYR 73 HH TYR 73 10.922 7.608 4.117 455 H TYR 74 H TYR 74 11.824 0.663 9.022 456 HA TYR 74 HA TYR 74 10.443 -0.597 6.714 457 HB3 TYR 74 2HB TYR 74 9.415 -2.088 8.509 458 HD1 TYR 74 1HD TYR 74 9.897 -3.536 6.539 459 HD2 TYR 74 2HD TYR 74 13.028 -2.258 9.236 460 HE1 TYR 74 1HE TYR 74 11.368 -5.296 5.656 461 HE2 TYR 74 2HE TYR 74 14.515 -4.001 8.304 462 HH TYR 74 HH TYR 74 13.505 -6.249 5.717 463 H LEU 75 H LEU 75 8.165 -0.577 6.779 464 HA LEU 75 HA LEU 75 6.828 1.527 8.403 465 HB3 LEU 75 2HB LEU 75 5.469 1.758 6.155 466 HG LEU 75 HG LEU 75 8.298 2.831 6.038 467 HD11 LEU 75 1HD1 LEU 75 7.278 4.550 4.650 468 HD12 LEU 75 2HD1 LEU 75 5.649 3.924 4.990 469 HD13 LEU 75 3HD1 LEU 75 6.796 2.972 4.035 470 HD21 LEU 75 3HD2 LEU 75 5.937 4.045 7.549 471 HD22 LEU 75 1HD2 LEU 75 7.405 4.936 7.116 472 HD23 LEU 75 2HD2 LEU 75 7.497 3.567 8.224 473 H ASP 76 H ASP 76 5.275 0.742 9.493 474 HA ASP 76 HA ASP 76 4.228 -1.964 9.222 475 HB3 ASP 76 2HB ASP 76 2.820 -1.299 11.158 476 H CYS 77 H CYS 77 2.563 -2.398 7.737 477 HA CYS 77 HA CYS 77 0.284 -0.638 7.774 478 HB3 CYS 77 2HB CYS 77 1.149 0.428 5.807 479 HG CYS 77 HG CYS 77 3.333 -1.058 5.712 480 H LYS 78 H LYS 78 -1.557 -1.642 6.898 481 HA LYS 78 HA LYS 78 -1.265 -4.528 6.202 482 HB3 LYS 78 2HB LYS 78 -3.554 -4.834 6.791 483 HG3 LYS 78 2HG LYS 78 -1.560 -4.925 8.560 484 HD3 LYS 78 2HD LYS 78 -3.491 -2.816 9.549 485 HE3 LYS 78 2HE LYS 78 -1.696 -4.623 11.236 486 HZ1 LYS 78 3HZ LYS 78 -2.140 -2.503 12.254 487 HZ2 LYS 78 1HZ LYS 78 -2.911 -3.693 13.051 488 HZ3 LYS 78 2HZ LYS 78 -3.777 -2.690 12.086 489 H ILE 79 H ILE 79 -2.839 -5.258 4.505 490 HA ILE 79 HA ILE 79 -4.247 -3.193 3.051 491 HB ILE 79 HB ILE 79 -1.810 -3.359 2.132 492 HG13 ILE 79 2HG1 ILE 79 -3.362 -2.116 0.927 493 HG21 ILE 79 1HG2 ILE 79 -2.821 -5.952 0.900 494 HG22 ILE 79 2HG2 ILE 79 -1.239 -5.180 0.679 495 HG23 ILE 79 3HG2 ILE 79 -1.677 -5.845 2.252 496 HD11 ILE 79 3HD1 ILE 79 -3.054 -2.675 -1.440 497 HD12 ILE 79 1HD1 ILE 79 -1.537 -2.958 -0.533 498 HD13 ILE 79 2HD1 ILE 79 -2.612 -4.300 -1.026 499 H SER 80 H SER 80 -5.986 -4.136 1.900 500 HA SER 80 HA SER 80 -6.200 -7.121 1.870 501 HB3 SER 80 2HB SER 80 -8.721 -6.678 2.049 502 HG SER 80 HG SER 80 -7.823 -7.732 3.779 503 H GLY 81 H GLY 81 -5.947 -4.428 0.005 504 HA2 GLY 81 1HA GLY 81 -5.677 -5.227 -2.422 505 HA3 GLY 81 2HA GLY 81 -7.401 -5.599 -2.324 506 H THR 82 H THR 82 -8.875 -3.736 -1.578 507 HA THR 82 HA THR 82 -8.048 -1.389 -3.084 508 HB THR 82 HB THR 82 -10.587 -0.898 -2.793 509 HG1 THR 82 1HG THR 82 -11.791 -2.507 -2.170 510 HG21 THR 82 3HG2 THR 82 -11.033 -2.350 -4.748 511 HG22 THR 82 1HG2 THR 82 -9.526 -3.243 -4.443 512 HG23 THR 82 2HG2 THR 82 -9.478 -1.531 -4.899 513 H THR 83 H THR 83 -7.875 -2.140 0.197 514 HA THR 83 HA THR 83 -7.928 0.763 0.863 515 HB THR 83 HB THR 83 -8.371 -1.535 2.772 516 HG1 THR 83 1HG THR 83 -10.404 -1.470 2.497 517 HG21 THR 83 3HG2 THR 83 -9.077 1.426 3.073 518 HG22 THR 83 1HG2 THR 83 -7.676 0.627 3.825 519 HG23 THR 83 2HG2 THR 83 -9.292 0.145 4.302 520 H LEU 84 H LEU 84 -6.019 1.556 1.726 521 HA LEU 84 HA LEU 84 -3.837 -0.321 2.493 522 HB3 LEU 84 2HB LEU 84 -3.377 2.637 2.279 523 HG LEU 84 HG LEU 84 -1.727 0.473 1.040 524 HD11 LEU 84 1HD1 LEU 84 -1.098 3.317 1.905 525 HD12 LEU 84 2HD1 LEU 84 -1.242 2.723 0.250 526 HD13 LEU 84 3HD1 LEU 84 0.103 2.199 1.261 527 HD21 LEU 84 3HD2 LEU 84 -1.529 1.245 3.905 528 HD22 LEU 84 1HD2 LEU 84 -0.146 0.609 2.954 529 HD23 LEU 84 2HD2 LEU 84 -1.604 -0.351 3.152 530 H LYS 85 H LYS 85 -3.497 -0.392 4.704 531 HA LYS 85 HA LYS 85 -4.499 1.904 6.349 532 HB3 LYS 85 2HB LYS 85 -4.500 -1.081 6.997 533 HG3 LYS 85 2HG LYS 85 -4.777 1.362 8.734 534 HD3 LYS 85 2HD LYS 85 -6.344 -1.209 9.223 535 HE3 LYS 85 2HE LYS 85 -5.990 1.390 10.764 536 HZ1 LYS 85 3HZ LYS 85 -8.335 0.703 10.888 537 HZ2 LYS 85 1HZ LYS 85 -7.536 0.454 12.314 538 HZ3 LYS 85 2HZ LYS 85 -7.885 -0.808 11.340 539 H VAL 86 H VAL 86 -2.474 2.918 5.999 540 HA VAL 86 HA VAL 86 0.000 1.667 6.874 541 HB VAL 86 HB VAL 86 -0.616 4.583 6.357 542 HG11 VAL 86 1HG1 VAL 86 1.981 2.987 6.164 543 HG12 VAL 86 2HG1 VAL 86 1.807 4.744 5.881 544 HG13 VAL 86 3HG1 VAL 86 1.511 4.091 7.479 545 HG21 VAL 86 3HG2 VAL 86 0.260 4.297 4.057 546 HG22 VAL 86 1HG2 VAL 86 0.319 2.558 4.292 547 HG23 VAL 86 2HG2 VAL 86 -1.248 3.445 4.298 548 H GLU 87 H GLU 87 0.728 1.605 8.957 549 HA GLU 87 HA GLU 87 -0.917 2.869 11.033 550 HB3 GLU 87 2HB GLU 87 0.228 1.355 12.517 551 HG3 GLU 87 2HG GLU 87 -0.113 -0.312 10.002 552 H THR 88 H THR 88 2.275 3.435 9.638 553 HA THR 88 HA THR 88 2.763 5.641 11.494 554 HB THR 88 HB THR 88 3.670 3.671 12.620 555 HG1 THR 88 1HG THR 88 4.659 5.773 12.760 556 HG21 THR 88 3HG2 THR 88 5.628 2.502 11.770 557 HG22 THR 88 1HG2 THR 88 5.568 3.448 10.270 558 HG23 THR 88 2HG2 THR 88 4.244 2.326 10.672 559 H GLY 89 H GLY 89 5.165 6.623 10.681 560 HA2 GLY 89 1HA GLY 89 6.280 7.591 8.985 561 HA3 GLY 89 2HA GLY 89 5.525 6.500 7.840 562 H SER 90 H SER 90 5.669 8.703 6.822 563 HA SER 90 HA SER 90 3.986 10.905 7.488 564 HB3 SER 90 2HB SER 90 4.512 11.598 5.177 565 HG SER 90 HG SER 90 6.015 11.596 7.111 566 H GLU 91 H GLU 91 3.185 7.927 6.110 567 HA GLU 91 HA GLU 91 0.616 8.998 5.013 568 HB3 GLU 91 2HB GLU 91 0.596 6.467 4.116 569 HG3 GLU 91 2HG GLU 91 2.076 7.374 2.217 570 H ALA 92 H ALA 92 1.400 8.083 7.942 571 HA ALA 92 HA ALA 92 -0.241 5.871 8.575 572 HB1 ALA 92 1HB ALA 92 0.353 8.275 10.372 573 HB2 ALA 92 2HB ALA 92 -0.176 6.666 10.916 574 HB3 ALA 92 3HB ALA 92 1.411 6.882 10.146 575 H GLY 93 H GLY 93 -2.297 5.698 7.962 576 HA2 GLY 93 1HA GLY 93 -4.519 7.418 8.637 577 HA3 GLY 93 2HA GLY 93 -3.825 7.854 7.060 578 H THR 94 H THR 94 -5.893 7.291 6.177 579 HA THR 94 HA THR 94 -6.220 4.392 5.634 580 HB THR 94 HB THR 94 -7.792 4.960 7.403 581 HG1 THR 94 1HG THR 94 -8.674 3.525 6.164 582 HG21 THR 94 3HG2 THR 94 -9.069 7.038 5.586 583 HG22 THR 94 1HG2 THR 94 -8.080 7.399 7.027 584 HG23 THR 94 2HG2 THR 94 -9.583 6.518 7.206 585 H TYR 95 H TYR 95 -6.387 3.958 3.532 586 HA TYR 95 HA TYR 95 -6.952 6.171 1.635 587 HB3 TYR 95 2HB TYR 95 -5.088 5.535 0.266 588 HD1 TYR 95 1HD TYR 95 -3.872 4.433 3.636 589 HD2 TYR 95 2HD TYR 95 -4.171 7.671 0.794 590 HE1 TYR 95 1HE TYR 95 -2.757 5.922 5.219 591 HE2 TYR 95 2HE TYR 95 -3.040 9.177 2.405 592 HH TYR 95 HH TYR 95 -1.778 8.017 5.412 593 H LYS 96 H LYS 96 -7.732 5.486 -0.394 594 HA LYS 96 HA LYS 96 -8.526 2.628 -0.551 595 HB3 LYS 96 2HB LYS 96 -10.521 3.473 -1.901 596 HG3 LYS 96 2HG LYS 96 -11.188 4.317 0.817 597 HD3 LYS 96 2HD LYS 96 -12.070 1.863 0.869 598 HE3 LYS 96 2HE LYS 96 -13.024 3.890 -1.201 599 HZ1 LYS 96 3HZ LYS 96 -15.200 2.892 -0.670 600 HZ2 LYS 96 1HZ LYS 96 -14.438 1.600 0.018 601 HZ3 LYS 96 2HZ LYS 96 -14.249 1.943 -1.593 602 H LYS 97 H LYS 97 -8.517 1.805 -2.601 603 HA LYS 97 HA LYS 97 -6.261 2.669 -4.168 604 HB3 LYS 97 2HB LYS 97 -8.450 0.601 -4.693 605 HG3 LYS 97 2HG LYS 97 -6.831 1.145 -6.606 606 HD3 LYS 97 2HD LYS 97 -4.840 1.085 -4.842 607 HE3 LYS 97 2HE LYS 97 -5.247 -1.386 -4.323 608 HZ1 LYS 97 3HZ LYS 97 -5.268 -2.080 -6.812 609 HZ2 LYS 97 1HZ LYS 97 -4.368 -2.953 -5.787 610 HZ3 LYS 97 2HZ LYS 97 -3.643 -1.865 -6.741 611 H GLN 98 H GLN 98 -6.298 3.442 -6.342 612 HA GLN 98 HA GLN 98 -8.892 4.458 -7.389 613 HB3 GLN 98 2HB GLN 98 -7.798 6.509 -8.118 614 HG3 GLN 98 2HG GLN 98 -6.957 7.471 -5.891 615 HE21 GLN 98 1HE2 GLN 98 -9.759 5.327 -5.196 616 HE22 GLN 98 2HE2 GLN 98 -10.897 6.668 -5.167 617 H LYS 99 H LYS 99 -8.654 2.365 -8.209 618 HA LYS 99 HA LYS 99 -7.880 2.450 -10.960 619 HB3 LYS 99 2HB LYS 99 -5.718 1.590 -10.042 620 HG3 LYS 99 2HG LYS 99 -7.336 -0.057 -8.380 621 HD3 LYS 99 2HD LYS 99 -6.357 -2.251 -8.657 622 HE3 LYS 99 2HE LYS 99 -7.434 -3.035 -10.752 623 HZ1 LYS 99 3HZ LYS 99 -9.131 -1.181 -9.201 624 HZ2 LYS 99 1HZ LYS 99 -8.791 -2.763 -8.804 625 HZ3 LYS 99 2HZ LYS 99 -9.651 -2.379 -10.164 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -13.360 -6.307 13.955 2 HA2 GLY 1 1HA GLY 1 -11.013 -6.806 15.707 3 HA3 GLY 1 2HA GLY 1 -11.484 -7.782 14.296 4 H GLU 2 H GLU 2 -9.199 -7.292 13.594 5 HA GLU 2 HA GLU 2 -9.393 -5.114 11.650 6 HB3 GLU 2 2HB GLU 2 -8.095 -3.804 12.911 7 HG3 GLU 2 2HG GLU 2 -6.167 -4.577 14.362 8 H ASP 3 H ASP 3 -10.097 -7.006 10.672 9 HA ASP 3 HA ASP 3 -8.407 -9.215 9.934 10 HB3 ASP 3 2HB ASP 3 -10.749 -9.616 10.152 11 H TRP 4 H TRP 4 -6.693 -8.563 8.863 12 HA TRP 4 HA TRP 4 -7.021 -7.133 6.266 13 HB3 TRP 4 2HB TRP 4 -4.660 -6.356 6.661 14 HD1 TRP 4 HD TRP 4 -6.132 -5.468 9.974 15 HE1 TRP 4 1HE TRP 4 -7.170 -3.106 9.914 16 HE3 TRP 4 3HE TRP 4 -6.019 -4.886 5.080 17 HZ2 TRP 4 2HZ TRP 4 -8.131 -1.224 7.644 18 HZ3 TRP 4 3HZ TRP 4 -6.887 -2.856 3.907 19 HH2 TRP 4 HH TRP 4 -8.020 -1.097 5.241 20 H THR 5 H THR 5 -5.412 -7.859 4.535 21 HA THR 5 HA THR 5 -4.614 -10.685 4.857 22 HB THR 5 HB THR 5 -3.769 -10.270 2.426 23 HG1 THR 5 1HG THR 5 -4.454 -7.888 2.698 24 HG21 THR 5 3HG2 THR 5 -6.755 -10.302 2.913 25 HG22 THR 5 1HG2 THR 5 -5.673 -11.714 3.051 26 HG23 THR 5 2HG2 THR 5 -5.851 -10.892 1.498 27 H GLU 6 H GLU 6 -2.419 -11.160 3.857 28 HA GLU 6 HA GLU 6 -0.200 -10.001 5.115 29 HB3 GLU 6 2HB GLU 6 0.922 -11.024 2.940 30 HG3 GLU 6 2HG GLU 6 -0.519 -12.516 5.108 31 H LEU 7 H LEU 7 1.423 -8.746 4.205 32 HA LEU 7 HA LEU 7 0.702 -6.978 1.939 33 HB3 LEU 7 2HB LEU 7 3.046 -6.603 3.769 34 HG LEU 7 HG LEU 7 2.605 -5.078 1.759 35 HD11 LEU 7 1HD1 LEU 7 0.935 -3.278 2.125 36 HD12 LEU 7 2HD1 LEU 7 0.371 -4.092 3.605 37 HD13 LEU 7 3HD1 LEU 7 0.142 -4.849 2.012 38 HD21 LEU 7 3HD2 LEU 7 2.991 -3.054 3.228 39 HD22 LEU 7 1HD2 LEU 7 4.078 -4.438 3.523 40 HD23 LEU 7 2HD2 LEU 7 2.727 -4.098 4.635 41 H ASN 8 H ASN 8 1.847 -7.328 0.167 42 HA ASN 8 HA ASN 8 4.314 -8.967 0.055 43 HB3 ASN 8 2HB ASN 8 2.577 -10.577 -0.293 44 HD21 ASN 8 1HD2 ASN 8 0.559 -11.244 -1.213 45 HD22 ASN 8 2HD2 ASN 8 -0.591 -10.115 -1.881 46 H SER 9 H SER 9 4.746 -9.020 -2.588 47 HA SER 9 HA SER 9 5.144 -6.237 -3.321 48 HB3 SER 9 2HB SER 9 6.981 -7.708 -3.683 49 HG SER 9 HG SER 9 6.241 -9.524 -5.355 50 H ASN 10 H ASN 10 2.297 -7.765 -3.505 51 HA ASN 10 HA ASN 10 1.862 -7.155 -6.410 52 HB3 ASN 10 2HB ASN 10 0.758 -9.146 -6.710 53 HD21 ASN 10 1HD2 ASN 10 3.299 -9.089 -7.281 54 HD22 ASN 10 2HD2 ASN 10 4.291 -10.276 -6.461 55 H ASN 11 H ASN 11 0.253 -7.457 -3.246 56 HA ASN 11 HA ASN 11 -2.270 -6.406 -4.068 57 HB3 ASN 11 2HB ASN 11 -2.855 -6.187 -1.763 58 HD21 ASN 11 1HD2 ASN 11 -1.798 -7.955 0.320 59 HD22 ASN 11 2HD2 ASN 11 -2.181 -9.517 -0.281 60 H ILE 12 H ILE 12 0.788 -4.826 -2.885 61 HA ILE 12 HA ILE 12 -0.559 -2.372 -2.283 62 HB ILE 12 HB ILE 12 1.357 -3.145 -1.104 63 HG13 ILE 12 2HG1 ILE 12 1.811 -0.484 -2.460 64 HG21 ILE 12 1HG2 ILE 12 3.097 -2.546 -3.539 65 HG22 ILE 12 2HG2 ILE 12 3.631 -3.159 -1.977 66 HG23 ILE 12 3HG2 ILE 12 2.654 -4.194 -3.024 67 HD11 ILE 12 3HD1 ILE 12 0.857 -1.230 0.335 68 HD12 ILE 12 1HD1 ILE 12 1.206 0.409 -0.238 69 HD13 ILE 12 2HD1 ILE 12 -0.141 -0.503 -0.954 70 H ILE 13 H ILE 13 0.736 -3.665 -5.206 71 HA ILE 13 HA ILE 13 1.554 -1.489 -6.672 72 HB ILE 13 HB ILE 13 0.130 -3.962 -7.723 73 HG13 ILE 13 2HG1 ILE 13 2.386 -4.998 -7.894 74 HG21 ILE 13 1HG2 ILE 13 2.192 -2.125 -9.010 75 HG22 ILE 13 2HG2 ILE 13 1.595 -3.654 -9.695 76 HG23 ILE 13 3HG2 ILE 13 0.486 -2.305 -9.460 77 HD11 ILE 13 3HD1 ILE 13 3.678 -2.779 -7.415 78 HD12 ILE 13 1HD1 ILE 13 3.277 -3.082 -5.721 79 HD13 ILE 13 2HD1 ILE 13 4.237 -4.261 -6.621 80 H GLY 14 H GLY 14 0.350 0.410 -6.684 81 HA2 GLY 14 1HA GLY 14 -1.742 0.702 -8.478 82 HA3 GLY 14 2HA GLY 14 -2.490 0.428 -6.885 83 H TYR 15 H TYR 15 -3.219 2.617 -7.764 84 HA TYR 15 HA TYR 15 -1.543 4.889 -6.762 85 HB3 TYR 15 2HB TYR 15 -3.782 5.991 -7.855 86 HD1 TYR 15 2HD TYR 15 -0.791 4.200 -9.371 87 HD2 TYR 15 1HD TYR 15 -3.112 7.816 -9.039 88 HE1 TYR 15 2HE TYR 15 0.824 5.373 -10.812 89 HE2 TYR 15 1HE TYR 15 -1.454 8.991 -10.501 90 HH TYR 15 HH TYR 15 1.078 7.430 -12.285 91 H TRP 16 H TRP 16 -2.432 6.189 -5.094 92 HA TRP 16 HA TRP 16 -4.896 5.209 -3.761 93 HB3 TRP 16 2HB TRP 16 -3.630 5.180 -1.655 94 HD1 TRP 16 HD TRP 16 -0.727 3.856 -3.655 95 HE1 TRP 16 1HE TRP 16 -0.687 1.290 -3.566 96 HE3 TRP 16 3HE TRP 16 -5.301 3.079 -1.527 97 HZ2 TRP 16 2HZ TRP 16 -2.391 -0.801 -2.606 98 HZ3 TRP 16 3HZ TRP 16 -6.085 0.700 -1.075 99 HH2 TRP 16 HH TRP 16 -4.683 -1.173 -1.633 100 H SER 17 H SER 17 -6.098 6.938 -2.818 101 HA SER 17 HA SER 17 -4.590 9.289 -1.954 102 HB3 SER 17 2HB SER 17 -7.074 9.738 -3.617 103 HG SER 17 HG SER 17 -5.870 11.871 -3.606 104 H THR 18 H THR 18 -6.201 10.680 -0.604 105 HA THR 18 HA THR 18 -7.958 8.841 1.000 106 HB THR 18 HB THR 18 -5.839 9.223 2.083 107 HG1 THR 18 1HG THR 18 -6.965 9.013 3.706 108 HG21 THR 18 3HG2 THR 18 -6.478 12.191 2.113 109 HG22 THR 18 1HG2 THR 18 -5.146 11.399 1.230 110 HG23 THR 18 2HG2 THR 18 -5.157 11.397 2.992 111 H GLY 19 H GLY 19 -7.811 11.844 -0.782 112 HA2 GLY 19 1HA GLY 19 -10.521 12.377 -0.584 113 HA3 GLY 19 2HA GLY 19 -9.677 13.425 0.586 114 H ILE 20 H ILE 20 -10.522 15.081 -1.088 115 HA ILE 20 HA ILE 20 -8.263 15.703 -2.892 116 HB ILE 20 HB ILE 20 -9.866 16.530 -4.613 117 HG13 ILE 20 2HG1 ILE 20 -11.872 16.487 -2.999 118 HG21 ILE 20 1HG2 ILE 20 -8.589 14.357 -4.770 119 HG22 ILE 20 2HG2 ILE 20 -10.063 13.524 -4.240 120 HG23 ILE 20 3HG2 ILE 20 -10.043 14.460 -5.761 121 HD11 ILE 20 3HD1 ILE 20 -12.270 15.121 -5.684 122 HD12 ILE 20 1HD1 ILE 20 -13.480 15.975 -4.711 123 HD13 ILE 20 2HD1 ILE 20 -12.127 16.883 -5.402 124 H GLU 21 H GLU 21 -10.299 16.761 -0.374 125 HA GLU 21 HA GLU 21 -10.176 19.611 -1.174 126 HB3 GLU 21 2HB GLU 21 -11.388 19.853 1.052 127 HG3 GLU 21 2HG GLU 21 -12.614 17.965 -0.995 128 H GLY 22 H GLY 22 -9.501 21.130 0.590 129 HA2 GLY 22 1HA GLY 22 -8.204 22.009 2.206 130 HA3 GLY 22 2HA GLY 22 -8.652 20.510 3.014 131 H THR 23 H THR 23 -7.122 18.860 3.230 132 HA THR 23 HA THR 23 -4.629 19.068 1.761 133 HB THR 23 HB THR 23 -4.344 18.255 4.650 134 HG1 THR 23 1HG THR 23 -4.912 20.178 5.158 135 HG21 THR 23 3HG2 THR 23 -2.452 19.553 2.632 136 HG22 THR 23 1HG2 THR 23 -2.511 17.826 3.043 137 HG23 THR 23 2HG2 THR 23 -2.027 19.007 4.270 138 H HIS 24 H HIS 24 -4.170 17.079 0.885 139 HA HIS 24 HA HIS 24 -4.989 14.622 2.234 140 HB3 HIS 24 2HB HIS 24 -6.904 15.010 0.852 141 HD1 HIS 24 1HD HIS 24 -6.829 17.552 -0.331 142 HD2 HIS 24 2HD HIS 24 -5.104 14.287 -2.327 143 HE1 HIS 24 1HE HIS 24 -6.459 18.312 -2.730 144 H LYS 25 H LYS 25 -4.012 12.802 0.489 145 HA LYS 25 HA LYS 25 -1.226 13.592 -0.134 146 HB3 LYS 25 2HB LYS 25 -0.407 11.728 1.209 147 HG3 LYS 25 2HG LYS 25 -1.924 13.688 2.973 148 HD3 LYS 25 2HD LYS 25 0.380 11.762 3.505 149 HE3 LYS 25 2HE LYS 25 -0.739 13.935 5.320 150 HZ1 LYS 25 3HZ LYS 25 1.480 12.016 5.821 151 HZ2 LYS 25 1HZ LYS 25 -0.025 11.948 6.490 152 HZ3 LYS 25 2HZ LYS 25 0.962 13.204 6.823 153 H LEU 26 H LEU 26 -0.537 12.462 -1.879 154 HA LEU 26 HA LEU 26 -2.162 10.282 -3.045 155 HB3 LEU 26 2HB LEU 26 0.358 11.290 -4.334 156 HG LEU 26 HG LEU 26 -0.859 11.369 -6.378 157 HD11 LEU 26 1HD1 LEU 26 -1.475 9.118 -6.843 158 HD12 LEU 26 2HD1 LEU 26 -1.822 8.799 -5.162 159 HD13 LEU 26 3HD1 LEU 26 -0.140 9.092 -5.683 160 HD21 LEU 26 3HD2 LEU 26 -3.280 10.787 -6.582 161 HD22 LEU 26 1HD2 LEU 26 -2.972 12.279 -5.694 162 HD23 LEU 26 2HD2 LEU 26 -3.398 10.803 -4.813 163 H LEU 27 H LEU 27 -1.046 8.270 -3.592 164 HA LEU 27 HA LEU 27 1.709 7.864 -2.878 165 HB3 LEU 27 2HB LEU 27 0.697 5.450 -2.044 166 HG LEU 27 HG LEU 27 1.151 7.696 -0.056 167 HD11 LEU 27 1HD1 LEU 27 -0.053 5.794 0.878 168 HD12 LEU 27 2HD1 LEU 27 1.603 5.815 1.496 169 HD13 LEU 27 3HD1 LEU 27 1.160 4.665 0.234 170 HD21 LEU 27 3HD2 LEU 27 3.430 6.519 0.219 171 HD22 LEU 27 1HD2 LEU 27 3.202 7.635 -1.112 172 HD23 LEU 27 2HD2 LEU 27 3.158 5.896 -1.412 173 H SER 28 H SER 28 2.558 6.389 -4.467 174 HA SER 28 HA SER 28 0.646 4.824 -6.082 175 HB3 SER 28 2HB SER 28 1.904 5.476 -8.127 176 HG SER 28 HG SER 28 0.265 6.763 -8.228 177 H PHE 29 H PHE 29 1.626 2.872 -6.838 178 HA PHE 29 HA PHE 29 4.426 2.254 -6.066 179 HB3 PHE 29 2HB PHE 29 3.496 0.002 -5.287 180 HD1 PHE 29 2HD PHE 29 1.661 2.957 -3.824 181 HD2 PHE 29 1HD PHE 29 4.789 0.026 -3.332 182 HE1 PHE 29 2HE PHE 29 2.267 3.954 -1.693 183 HE2 PHE 29 1HE PHE 29 5.200 0.885 -1.043 184 HZ PHE 29 HZ PHE 29 3.967 2.862 -0.205 185 H ASP 30 H ASP 30 5.361 1.448 -8.004 186 HA ASP 30 HA ASP 30 3.646 -0.097 -9.857 187 HB3 ASP 30 2HB ASP 30 5.858 -0.066 -11.125 188 H GLU 31 H GLU 31 4.462 -2.103 -10.595 189 HA GLU 31 HA GLU 31 5.464 -3.750 -8.399 190 HB3 GLU 31 2HB GLU 31 3.671 -4.579 -9.725 191 HG3 GLU 31 2HG GLU 31 5.386 -4.024 -12.143 192 H ASP 32 H ASP 32 6.754 -2.425 -11.398 193 HA ASP 32 HA ASP 32 9.163 -4.142 -11.089 194 HB3 ASP 32 2HB ASP 32 8.376 -2.873 -13.660 195 H GLY 33 H GLY 33 8.379 -1.149 -10.297 196 HA2 GLY 33 1HA GLY 33 10.995 0.082 -11.028 197 HA3 GLY 33 2HA GLY 33 9.468 0.921 -11.350 198 H THR 34 H THR 34 8.692 2.218 -9.773 199 HA THR 34 HA THR 34 9.820 2.135 -7.040 200 HB THR 34 HB THR 34 10.076 4.633 -7.453 201 HG1 THR 34 1HG THR 34 9.970 5.291 -9.654 202 HG21 THR 34 3HG2 THR 34 12.079 4.546 -8.819 203 HG22 THR 34 1HG2 THR 34 11.586 3.014 -9.551 204 HG23 THR 34 2HG2 THR 34 12.022 3.072 -7.835 205 H GLY 35 H GLY 35 8.595 4.053 -5.794 206 HA2 GLY 35 1HA GLY 35 5.866 4.450 -6.834 207 HA3 GLY 35 2HA GLY 35 6.042 3.932 -5.173 208 H SER 36 H SER 36 4.941 6.015 -4.855 209 HA SER 36 HA SER 36 6.798 8.304 -4.728 210 HB3 SER 36 2HB SER 36 4.252 8.547 -6.346 211 HG SER 36 HG SER 36 6.449 10.276 -5.903 212 H PHE 37 H PHE 37 5.785 10.113 -3.774 213 HA PHE 37 HA PHE 37 3.377 9.746 -2.148 214 HB3 PHE 37 2HB PHE 37 6.132 10.428 -1.032 215 HD1 PHE 37 2HD PHE 37 2.590 9.649 0.027 216 HD2 PHE 37 1HD PHE 37 6.297 11.664 0.941 217 HE1 PHE 37 2HE PHE 37 1.556 10.610 2.020 218 HE2 PHE 37 1HE PHE 37 5.290 12.565 3.008 219 HZ PHE 37 HZ PHE 37 2.918 12.064 3.570 220 H GLY 38 H GLY 38 2.320 11.777 -2.089 221 HA2 GLY 38 1HA GLY 38 3.992 14.120 -2.040 222 HA3 GLY 38 2HA GLY 38 2.972 14.061 -3.495 223 H ILE 39 H ILE 39 2.890 15.923 -1.243 224 HA ILE 39 HA ILE 39 0.279 15.314 0.092 225 HB ILE 39 HB ILE 39 2.291 17.516 0.705 226 HG13 ILE 39 2HG1 ILE 39 3.068 15.109 1.268 227 HG21 ILE 39 1HG2 ILE 39 0.940 17.926 2.720 228 HG22 ILE 39 2HG2 ILE 39 -0.055 18.096 1.301 229 HG23 ILE 39 3HG2 ILE 39 -0.180 16.614 2.258 230 HD11 ILE 39 3HD1 ILE 39 4.096 16.929 2.480 231 HD12 ILE 39 1HD1 ILE 39 2.739 17.011 3.605 232 HD13 ILE 39 2HD1 ILE 39 3.749 15.567 3.561 233 H TYR 40 H TYR 40 -1.516 16.674 -0.420 234 HA TYR 40 HA TYR 40 -1.008 18.824 -2.385 235 HB3 TYR 40 2HB TYR 40 -3.159 18.057 -3.521 236 HD1 TYR 40 2HD TYR 40 -0.889 15.135 -2.991 237 HD2 TYR 40 1HD TYR 40 -1.880 18.506 -5.527 238 HE1 TYR 40 2HE TYR 40 0.691 14.312 -4.675 239 HE2 TYR 40 1HE TYR 40 -0.322 17.639 -7.253 240 HH TYR 40 HH TYR 40 1.585 14.623 -6.696 241 H SER 41 H SER 41 -2.032 20.595 -1.965 242 HA SER 41 HA SER 41 -3.924 20.929 0.203 243 HB3 SER 41 2HB SER 41 -2.802 22.787 -1.933 244 HG SER 41 HG SER 41 -3.265 24.401 -0.550 245 H ASN 42 H ASN 42 -5.640 22.687 -0.756 246 HA ASN 42 HA ASN 42 -7.811 21.305 -1.604 247 HB3 ASN 42 2HB ASN 42 -8.517 23.678 -2.640 248 HD21 ASN 42 1HD2 ASN 42 -10.232 22.706 -1.447 249 HD22 ASN 42 2HD2 ASN 42 -10.446 23.143 0.234 250 H ALA 43 H ALA 43 -5.605 22.966 -3.906 251 HA ALA 43 HA ALA 43 -5.918 20.766 -5.661 252 HB1 ALA 43 1HB ALA 43 -7.975 21.938 -6.428 253 HB2 ALA 43 2HB ALA 43 -7.033 23.417 -6.720 254 HB3 ALA 43 3HB ALA 43 -6.731 21.952 -7.676 255 H THR 44 H THR 44 -3.735 21.572 -4.338 256 HA THR 44 HA THR 44 -2.001 22.743 -6.393 257 HB THR 44 HB THR 44 -2.259 23.920 -3.590 258 HG1 THR 44 1HG THR 44 -3.211 25.635 -4.495 259 HG21 THR 44 3HG2 THR 44 0.042 24.136 -4.425 260 HG22 THR 44 1HG2 THR 44 -0.774 25.709 -4.398 261 HG23 THR 44 2HG2 THR 44 -0.563 24.854 -5.943 262 HA PRO 45 HA PRO 45 0.544 19.623 -4.328 263 HB3 PRO 45 2HB PRO 45 1.315 19.216 -6.562 264 HG3 PRO 45 2HG PRO 45 1.781 20.999 -8.074 265 HD3 PRO 45 2HD PRO 45 -0.461 21.223 -7.413 266 H ILE 46 H ILE 46 1.967 19.504 -2.689 267 HA ILE 46 HA ILE 46 3.634 21.874 -2.137 268 HB ILE 46 HB ILE 46 2.439 20.607 0.204 269 HG13 ILE 46 2HG1 ILE 46 0.854 22.411 -1.592 270 HG21 ILE 46 1HG2 ILE 46 3.008 23.490 -0.561 271 HG22 ILE 46 2HG2 ILE 46 2.599 22.934 1.067 272 HG23 ILE 46 3HG2 ILE 46 4.142 22.468 0.343 273 HD11 ILE 46 3HD1 ILE 46 -0.682 20.733 0.020 274 HD12 ILE 46 1HD1 ILE 46 -0.154 20.507 -1.696 275 HD13 ILE 46 2HD1 ILE 46 0.709 19.741 -0.400 276 H SER 47 H SER 47 3.599 18.488 -2.422 277 HA SER 47 HA SER 47 6.370 18.379 -1.702 278 HB3 SER 47 2HB SER 47 4.375 17.313 0.211 279 HG SER 47 HG SER 47 6.781 15.952 0.361 280 H PHE 48 H PHE 48 7.301 16.560 -2.532 281 HA PHE 48 HA PHE 48 5.816 14.524 -4.033 282 HB3 PHE 48 2HB PHE 48 7.429 16.407 -5.759 283 HD1 PHE 48 2HD PHE 48 7.808 13.873 -6.623 284 HD2 PHE 48 1HD PHE 48 4.038 15.940 -6.699 285 HE1 PHE 48 2HE PHE 48 7.034 12.341 -8.370 286 HE2 PHE 48 1HE PHE 48 3.293 14.492 -8.562 287 HZ PHE 48 HZ PHE 48 4.769 12.660 -9.398 288 H GLN 49 H GLN 49 7.144 12.783 -4.046 289 HA GLN 49 HA GLN 49 10.001 12.985 -4.475 290 HB3 GLN 49 2HB GLN 49 10.093 13.317 -2.092 291 HG3 GLN 49 2HG GLN 49 8.245 10.937 -1.789 292 HE21 GLN 49 1HE2 GLN 49 10.201 10.060 -0.402 293 HE22 GLN 49 2HE2 GLN 49 10.123 10.554 1.269 294 H MET 50 H MET 50 10.914 10.664 -4.634 295 HA MET 50 HA MET 50 8.872 8.575 -4.806 296 HB3 MET 50 2HB MET 50 9.972 7.592 -6.819 297 HG3 MET 50 2HG MET 50 8.969 10.343 -7.544 298 HE1 MET 50 3HE MET 50 10.226 10.044 -9.733 299 HE2 MET 50 1HE MET 50 10.939 8.488 -9.232 300 HE3 MET 50 2HE MET 50 10.122 8.625 -10.806 301 H PHE 51 H PHE 51 9.786 6.436 -4.655 302 HA PHE 51 HA PHE 51 12.520 6.162 -3.837 303 HB3 PHE 51 2HB PHE 51 12.002 6.885 -1.766 304 HD1 PHE 51 1HD PHE 51 10.050 8.490 -1.959 305 HD2 PHE 51 2HD PHE 51 9.709 4.426 -0.605 306 HE1 PHE 51 1HE PHE 51 7.959 9.065 -0.744 307 HE2 PHE 51 2HE PHE 51 7.705 5.097 0.771 308 HZ PHE 51 HZ PHE 51 6.811 7.374 0.630 309 H ASP 52 H ASP 52 12.983 3.908 -3.369 310 HA ASP 52 HA ASP 52 11.267 1.995 -4.921 311 HB3 ASP 52 2HB ASP 52 13.179 0.390 -4.304 312 H TYR 53 H TYR 53 10.849 -0.085 -3.770 313 HA TYR 53 HA TYR 53 11.150 -0.013 -0.830 314 HB3 TYR 53 2HB TYR 53 8.953 -0.703 -0.396 315 HD1 TYR 53 1HD TYR 53 8.171 0.273 -3.877 316 HD2 TYR 53 2HD TYR 53 8.340 1.592 0.195 317 HE1 TYR 53 1HE TYR 53 6.830 2.206 -4.468 318 HE2 TYR 53 2HE TYR 53 6.919 3.531 -0.358 319 HH TYR 53 HH TYR 53 5.686 4.571 -2.003 320 H LYS 54 H LYS 54 10.929 -2.233 0.098 321 HA LYS 54 HA LYS 54 10.750 -4.388 -1.877 322 HB3 LYS 54 2HB LYS 54 12.351 -5.802 -0.731 323 HG3 LYS 54 2HG LYS 54 13.814 -3.217 -1.223 324 HD3 LYS 54 2HD LYS 54 14.735 -5.077 -3.066 325 HE3 LYS 54 2HE LYS 54 15.632 -4.237 -0.318 326 HZ1 LYS 54 3HZ LYS 54 16.571 -6.336 -0.783 327 HZ2 LYS 54 1HZ LYS 54 17.755 -5.210 -0.892 328 HZ3 LYS 54 2HZ LYS 54 17.128 -5.838 -2.290 329 H ILE 55 H ILE 55 9.784 -6.285 -0.957 330 HA ILE 55 HA ILE 55 8.545 -5.924 1.718 331 HB ILE 55 HB ILE 55 7.438 -7.511 -0.623 332 HG13 ILE 55 2HG1 ILE 55 5.791 -5.889 -1.029 333 HG21 ILE 55 1HG2 ILE 55 5.304 -7.152 0.970 334 HG22 ILE 55 2HG2 ILE 55 6.412 -8.493 1.175 335 HG23 ILE 55 3HG2 ILE 55 6.544 -7.052 2.213 336 HD11 ILE 55 3HD1 ILE 55 5.566 -4.878 1.320 337 HD12 ILE 55 1HD1 ILE 55 7.023 -3.944 0.894 338 HD13 ILE 55 2HD1 ILE 55 5.523 -3.777 -0.056 339 H GLU 56 H GLU 56 10.360 -6.847 2.783 340 HA GLU 56 HA GLU 56 11.011 -9.683 2.092 341 HB3 GLU 56 2HB GLU 56 12.885 -7.669 3.388 342 HG3 GLU 56 2HG GLU 56 13.357 -10.188 1.716 343 H GLU 57 H GLU 57 8.932 -8.733 3.853 344 HA GLU 57 HA GLU 57 9.253 -10.134 6.194 345 HB3 GLU 57 2HB GLU 57 9.368 -7.473 7.238 346 HG3 GLU 57 2HG GLU 57 11.270 -8.743 8.602 347 H GLY 58 H GLY 58 7.273 -9.224 4.192 348 HA2 GLY 58 1HA GLY 58 4.894 -8.904 4.182 349 HA3 GLY 58 2HA GLY 58 4.953 -9.253 5.913 350 H ARG 59 H ARG 59 6.860 -6.623 4.668 351 HA ARG 59 HA ARG 59 5.066 -4.480 5.596 352 HB3 ARG 59 2HB ARG 59 7.022 -3.647 7.067 353 HG3 ARG 59 2HG ARG 59 5.667 -6.252 7.870 354 HD3 ARG 59 2HD ARG 59 7.139 -4.261 9.603 355 HE ARG 59 HE ARG 59 5.529 -5.052 10.991 356 HH11 ARG 59 1HH1 ARG 59 7.053 -7.943 9.459 357 HH12 ARG 59 2HH1 ARG 59 6.059 -9.035 10.331 358 HH21 ARG 59 1HH2 ARG 59 4.292 -6.584 12.140 359 HH22 ARG 59 2HH2 ARG 59 4.481 -8.285 11.827 360 H ILE 60 H ILE 60 6.248 -2.356 5.128 361 HA ILE 60 HA ILE 60 7.536 -2.654 2.446 362 HB ILE 60 HB ILE 60 6.281 -0.281 3.881 363 HG13 ILE 60 2HG1 ILE 60 4.724 -1.959 2.996 364 HG21 ILE 60 1HG2 ILE 60 8.223 0.380 2.377 365 HG22 ILE 60 2HG2 ILE 60 7.314 -0.355 1.033 366 HG23 ILE 60 3HG2 ILE 60 6.661 1.044 1.899 367 HD11 ILE 60 3HD1 ILE 60 4.166 0.520 2.760 368 HD12 ILE 60 1HD1 ILE 60 4.621 0.364 1.056 369 HD13 ILE 60 2HD1 ILE 60 3.278 -0.601 1.695 370 H TYR 61 H TYR 61 9.705 -2.404 2.242 371 HA TYR 61 HA TYR 61 11.243 -1.171 4.469 372 HB3 TYR 61 2HB TYR 61 12.092 -3.057 2.238 373 HD1 TYR 61 2HD TYR 61 13.160 -1.404 5.475 374 HD2 TYR 61 1HD TYR 61 14.384 -3.355 1.817 375 HE1 TYR 61 2HE TYR 61 15.511 -0.990 6.067 376 HE2 TYR 61 1HE TYR 61 16.764 -3.134 2.568 377 HH TYR 61 HH TYR 61 18.196 -1.811 3.913 378 H ILE 62 H ILE 62 11.631 0.929 4.056 379 HA ILE 62 HA ILE 62 11.889 2.023 1.328 380 HB ILE 62 HB ILE 62 12.316 3.417 4.014 381 HG13 ILE 62 2HG1 ILE 62 9.999 4.326 3.823 382 HG21 ILE 62 1HG2 ILE 62 13.202 4.656 2.132 383 HG22 ILE 62 2HG2 ILE 62 11.688 4.476 1.221 384 HG23 ILE 62 3HG2 ILE 62 11.746 5.466 2.697 385 HD11 ILE 62 3HD1 ILE 62 8.308 2.997 2.606 386 HD12 ILE 62 1HD1 ILE 62 9.455 3.783 1.508 387 HD13 ILE 62 2HD1 ILE 62 9.612 2.054 1.835 388 H TYR 63 H TYR 63 13.973 2.498 0.487 389 HA TYR 63 HA TYR 63 16.237 2.569 2.307 390 HB3 TYR 63 2HB TYR 63 15.842 0.096 1.897 391 HD1 TYR 63 2HD TYR 63 14.086 -0.278 0.012 392 HD2 TYR 63 1HD TYR 63 18.266 0.524 -0.788 393 HE1 TYR 63 2HE TYR 63 13.873 -1.291 -2.253 394 HE2 TYR 63 1HE TYR 63 18.086 -0.703 -2.916 395 HH TYR 63 HH TYR 63 15.950 -1.315 -4.671 396 H ASP 64 H ASP 64 14.882 3.716 -0.589 397 HA ASP 64 HA ASP 64 17.412 4.851 -1.472 398 HB3 ASP 64 2HB ASP 64 15.723 3.060 -3.255 399 H VAL 65 H VAL 65 16.718 6.934 -1.449 400 HA VAL 65 HA VAL 65 13.946 7.560 -2.322 401 HB VAL 65 HB VAL 65 15.370 8.759 0.090 402 HG11 VAL 65 1HG1 VAL 65 13.903 10.376 -0.997 403 HG12 VAL 65 2HG1 VAL 65 12.535 9.240 -0.954 404 HG13 VAL 65 3HG1 VAL 65 13.230 9.916 0.540 405 HG21 VAL 65 3HG2 VAL 65 13.049 6.799 0.101 406 HG22 VAL 65 1HG2 VAL 65 14.689 6.519 0.710 407 HG23 VAL 65 2HG2 VAL 65 13.644 7.702 1.498 408 H TYR 66 H TYR 66 13.738 9.382 -3.503 409 HA TYR 66 HA TYR 66 16.011 11.246 -3.755 410 HB3 TYR 66 2HB TYR 66 15.266 9.324 -5.749 411 HD1 TYR 66 2HD TYR 66 12.766 9.953 -6.187 412 HD2 TYR 66 1HD TYR 66 16.147 12.288 -7.489 413 HE1 TYR 66 2HE TYR 66 11.352 11.064 -7.880 414 HE2 TYR 66 1HE TYR 66 14.733 13.472 -9.100 415 HH TYR 66 HH TYR 66 12.536 13.879 -9.744 416 HA PRO 67 HA PRO 67 16.104 13.089 -5.318 417 HB3 PRO 67 2HB PRO 67 14.992 14.884 -6.350 418 HG3 PRO 67 2HG PRO 67 13.432 16.261 -5.078 419 HD3 PRO 67 2HD PRO 67 12.555 14.055 -5.210 420 H ASP 68 H ASP 68 14.799 13.533 -2.157 421 HA ASP 68 HA ASP 68 17.503 14.069 -1.088 422 HB3 ASP 68 2HB ASP 68 15.996 15.783 -0.426 423 H GLU 69 H GLU 69 18.510 12.281 -0.683 424 HA GLU 69 HA GLU 69 17.266 9.815 -0.122 425 HB3 GLU 69 2HB GLU 69 19.401 9.793 -1.114 426 HG3 GLU 69 2HG GLU 69 20.465 11.172 1.373 427 H LYS 70 H LYS 70 16.593 8.981 1.650 428 HA LYS 70 HA LYS 70 17.059 10.260 4.317 429 HB3 LYS 70 2HB LYS 70 14.929 9.106 4.959 430 HG3 LYS 70 2HG LYS 70 13.830 10.426 2.613 431 HD3 LYS 70 2HD LYS 70 12.825 10.425 4.885 432 HE3 LYS 70 2HE LYS 70 15.015 10.866 6.110 433 HZ1 LYS 70 3HZ LYS 70 15.741 12.838 4.848 434 HZ2 LYS 70 1HZ LYS 70 15.538 13.183 6.453 435 HZ3 LYS 70 2HZ LYS 70 14.422 13.650 5.315 436 H THR 71 H THR 71 16.657 8.369 6.106 437 HA THR 71 HA THR 71 18.749 6.390 5.609 438 HB THR 71 HB THR 71 18.532 7.685 7.707 439 HG1 THR 71 1HG THR 71 18.304 5.161 8.684 440 HG21 THR 71 3HG2 THR 71 16.907 7.115 9.362 441 HG22 THR 71 1HG2 THR 71 16.252 5.808 8.336 442 HG23 THR 71 2HG2 THR 71 16.041 7.506 7.864 443 HA PRO 72 HA PRO 72 15.743 3.251 4.444 444 HB3 PRO 72 2HB PRO 72 17.436 1.757 3.814 445 HG3 PRO 72 2HG PRO 72 19.547 1.836 4.907 446 HD3 PRO 72 2HD PRO 72 19.057 4.095 4.327 447 H TYR 73 H TYR 73 14.076 2.011 5.465 448 HA TYR 73 HA TYR 73 14.265 1.042 8.141 449 HB3 TYR 73 2HB TYR 73 13.957 3.280 8.925 450 HD1 TYR 73 1HD TYR 73 10.575 2.867 7.287 451 HD2 TYR 73 2HD TYR 73 14.145 5.258 7.591 452 HE1 TYR 73 1HE TYR 73 9.455 4.717 6.111 453 HE2 TYR 73 2HE TYR 73 13.040 7.090 6.390 454 HH TYR 73 HH TYR 73 9.515 6.957 5.590 455 H TYR 74 H TYR 74 12.082 0.196 8.876 456 HA TYR 74 HA TYR 74 10.519 -0.702 6.520 457 HB3 TYR 74 2HB TYR 74 9.637 -2.465 7.999 458 HD1 TYR 74 1HD TYR 74 13.201 -1.959 9.047 459 HD2 TYR 74 2HD TYR 74 10.520 -3.941 6.306 460 HE1 TYR 74 1HE TYR 74 15.080 -3.286 8.175 461 HE2 TYR 74 2HE TYR 74 12.386 -5.349 5.487 462 HH TYR 74 HH TYR 74 15.685 -5.101 6.856 463 H LEU 75 H LEU 75 8.200 -0.682 6.662 464 HA LEU 75 HA LEU 75 6.953 1.101 8.678 465 HB3 LEU 75 2HB LEU 75 5.462 1.904 6.835 466 HG LEU 75 HG LEU 75 8.391 2.508 6.235 467 HD11 LEU 75 1HD1 LEU 75 6.699 3.012 4.416 468 HD12 LEU 75 2HD1 LEU 75 7.581 4.408 4.988 469 HD13 LEU 75 3HD1 LEU 75 5.915 4.148 5.541 470 HD21 LEU 75 3HD2 LEU 75 7.869 4.617 7.598 471 HD22 LEU 75 1HD2 LEU 75 7.890 3.134 8.537 472 HD23 LEU 75 2HD2 LEU 75 6.349 3.841 8.059 473 H ASP 76 H ASP 76 5.200 0.225 9.530 474 HA ASP 76 HA ASP 76 4.210 -2.400 8.636 475 HB3 ASP 76 2HB ASP 76 2.834 -2.270 10.681 476 H CYS 77 H CYS 77 2.302 -2.554 7.537 477 HA CYS 77 HA CYS 77 0.342 -0.483 7.355 478 HB3 CYS 77 2HB CYS 77 1.370 0.634 5.634 479 HG CYS 77 HG CYS 77 3.671 -0.876 6.196 480 H LYS 78 H LYS 78 -1.558 -1.308 6.350 481 HA LYS 78 HA LYS 78 -1.512 -4.278 6.101 482 HB3 LYS 78 2HB LYS 78 -3.622 -4.297 7.262 483 HG3 LYS 78 2HG LYS 78 -1.551 -2.692 8.835 484 HD3 LYS 78 2HD LYS 78 -1.740 -4.275 10.477 485 HE3 LYS 78 2HE LYS 78 -4.626 -3.557 10.242 486 HZ1 LYS 78 3HZ LYS 78 -4.247 -2.974 12.501 487 HZ2 LYS 78 1HZ LYS 78 -2.616 -3.052 12.330 488 HZ3 LYS 78 2HZ LYS 78 -3.522 -4.450 12.330 489 H ILE 79 H ILE 79 -3.059 -5.102 4.479 490 HA ILE 79 HA ILE 79 -4.581 -3.070 2.999 491 HB ILE 79 HB ILE 79 -2.150 -3.356 2.116 492 HG13 ILE 79 2HG1 ILE 79 -4.018 -2.202 0.954 493 HG21 ILE 79 1HG2 ILE 79 -1.640 -5.273 0.750 494 HG22 ILE 79 2HG2 ILE 79 -2.203 -5.888 2.292 495 HG23 ILE 79 3HG2 ILE 79 -3.291 -5.904 0.888 496 HD11 ILE 79 3HD1 ILE 79 -3.012 -2.490 -1.348 497 HD12 ILE 79 1HD1 ILE 79 -1.837 -2.137 -0.061 498 HD13 ILE 79 2HD1 ILE 79 -2.013 -3.772 -0.731 499 H SER 80 H SER 80 -6.247 -4.043 1.800 500 HA SER 80 HA SER 80 -6.761 -6.955 2.332 501 HB3 SER 80 2HB SER 80 -8.702 -4.661 2.740 502 HG SER 80 HG SER 80 -9.550 -7.057 3.593 503 H GLY 81 H GLY 81 -8.235 -4.185 0.544 504 HA2 GLY 81 1HA GLY 81 -7.221 -5.288 -1.969 505 HA3 GLY 81 2HA GLY 81 -8.987 -5.110 -1.834 506 H THR 82 H THR 82 -9.870 -3.032 -2.007 507 HA THR 82 HA THR 82 -8.040 -1.034 -2.920 508 HB THR 82 HB THR 82 -10.119 0.251 -3.432 509 HG1 THR 82 1HG THR 82 -11.499 -0.673 -1.834 510 HG21 THR 82 3HG2 THR 82 -9.085 -1.318 -5.052 511 HG22 THR 82 1HG2 THR 82 -10.830 -1.300 -5.219 512 HG23 THR 82 2HG2 THR 82 -10.041 -2.652 -4.400 513 H THR 83 H THR 83 -8.368 -1.638 0.261 514 HA THR 83 HA THR 83 -8.026 1.252 0.899 515 HB THR 83 HB THR 83 -8.981 -1.001 2.661 516 HG1 THR 83 1HG THR 83 -10.850 -0.315 2.076 517 HG21 THR 83 3HG2 THR 83 -7.623 0.652 3.986 518 HG22 THR 83 1HG2 THR 83 -9.306 0.602 4.460 519 HG23 THR 83 2HG2 THR 83 -8.712 1.940 3.433 520 H LEU 84 H LEU 84 -6.038 1.825 1.475 521 HA LEU 84 HA LEU 84 -4.050 -0.177 2.422 522 HB3 LEU 84 2HB LEU 84 -3.497 2.757 1.922 523 HG LEU 84 HG LEU 84 -1.776 0.491 1.041 524 HD11 LEU 84 1HD1 LEU 84 -1.158 3.350 1.831 525 HD12 LEU 84 2HD1 LEU 84 -1.310 2.719 0.181 526 HD13 LEU 84 3HD1 LEU 84 0.015 2.173 1.218 527 HD21 LEU 84 3HD2 LEU 84 -1.707 1.454 3.844 528 HD22 LEU 84 1HD2 LEU 84 -0.364 0.628 3.008 529 HD23 LEU 84 2HD2 LEU 84 -1.900 -0.204 3.212 530 H LYS 85 H LYS 85 -3.843 -0.254 4.622 531 HA LYS 85 HA LYS 85 -4.500 2.187 6.244 532 HB3 LYS 85 2HB LYS 85 -4.552 -0.734 7.107 533 HG3 LYS 85 2HG LYS 85 -5.008 1.900 8.505 534 HD3 LYS 85 2HD LYS 85 -6.259 -0.714 9.438 535 HE3 LYS 85 2HE LYS 85 -7.544 1.083 10.834 536 HZ1 LYS 85 3HZ LYS 85 -6.004 -0.424 11.939 537 HZ2 LYS 85 1HZ LYS 85 -5.955 1.071 12.592 538 HZ3 LYS 85 2HZ LYS 85 -4.733 0.603 11.659 539 H VAL 86 H VAL 86 -2.449 3.116 5.911 540 HA VAL 86 HA VAL 86 -0.058 1.600 6.615 541 HB VAL 86 HB VAL 86 -0.390 4.594 6.298 542 HG11 VAL 86 1HG1 VAL 86 2.106 4.468 5.901 543 HG12 VAL 86 2HG1 VAL 86 1.621 4.012 7.526 544 HG13 VAL 86 3HG1 VAL 86 2.052 2.753 6.379 545 HG21 VAL 86 3HG2 VAL 86 -1.002 3.551 4.159 546 HG22 VAL 86 1HG2 VAL 86 0.584 4.291 4.022 547 HG23 VAL 86 2HG2 VAL 86 0.449 2.539 4.193 548 H GLU 87 H GLU 87 0.905 1.439 8.664 549 HA GLU 87 HA GLU 87 -0.756 2.437 10.873 550 HB3 GLU 87 2HB GLU 87 0.190 0.786 12.201 551 HG3 GLU 87 2HG GLU 87 0.162 -0.711 9.565 552 H THR 88 H THR 88 2.587 2.616 9.590 553 HA THR 88 HA THR 88 3.218 4.888 11.403 554 HB THR 88 HB THR 88 4.123 3.006 12.486 555 HG1 THR 88 1HG THR 88 6.527 3.338 11.456 556 HG21 THR 88 3HG2 THR 88 5.624 1.362 11.425 557 HG22 THR 88 1HG2 THR 88 5.344 2.164 9.846 558 HG23 THR 88 2HG2 THR 88 4.024 1.352 10.709 559 H GLY 89 H GLY 89 5.084 6.200 10.581 560 HA2 GLY 89 1HA GLY 89 6.654 6.624 8.811 561 HA3 GLY 89 2HA GLY 89 5.485 6.017 7.636 562 H SER 90 H SER 90 6.357 8.239 6.894 563 HA SER 90 HA SER 90 4.971 10.654 7.706 564 HB3 SER 90 2HB SER 90 5.504 11.433 5.406 565 HG SER 90 HG SER 90 7.589 10.168 6.871 566 H GLU 91 H GLU 91 4.089 7.797 5.948 567 HA GLU 91 HA GLU 91 1.731 8.975 4.745 568 HB3 GLU 91 2HB GLU 91 1.725 7.087 3.364 569 HG3 GLU 91 2HG GLU 91 3.897 8.651 3.246 570 H ALA 92 H ALA 92 2.155 7.919 7.700 571 HA ALA 92 HA ALA 92 0.399 5.756 8.182 572 HB1 ALA 92 1HB ALA 92 2.052 6.598 9.807 573 HB2 ALA 92 2HB ALA 92 1.067 8.053 10.065 574 HB3 ALA 92 3HB ALA 92 0.430 6.449 10.500 575 H GLY 93 H GLY 93 -1.630 5.723 7.371 576 HA2 GLY 93 1HA GLY 93 -3.776 7.405 8.294 577 HA3 GLY 93 2HA GLY 93 -3.164 7.953 6.730 578 H THR 94 H THR 94 -5.385 7.431 5.985 579 HA THR 94 HA THR 94 -5.720 4.556 5.347 580 HB THR 94 HB THR 94 -8.145 4.747 5.732 581 HG1 THR 94 1HG THR 94 -9.021 6.345 6.782 582 HG21 THR 94 3HG2 THR 94 -6.684 3.730 7.447 583 HG22 THR 94 1HG2 THR 94 -8.062 4.589 8.171 584 HG23 THR 94 2HG2 THR 94 -6.462 5.331 8.200 585 H TYR 95 H TYR 95 -5.855 4.257 3.238 586 HA TYR 95 HA TYR 95 -6.625 6.568 1.507 587 HB3 TYR 95 2HB TYR 95 -4.824 5.983 0.037 588 HD1 TYR 95 1HD TYR 95 -4.342 8.238 0.945 589 HD2 TYR 95 2HD TYR 95 -3.155 4.675 3.051 590 HE1 TYR 95 1HE TYR 95 -3.042 9.620 2.542 591 HE2 TYR 95 2HE TYR 95 -1.837 6.013 4.607 592 HH TYR 95 HH TYR 95 -1.018 8.134 5.021 593 H LYS 96 H LYS 96 -7.466 6.005 -0.525 594 HA LYS 96 HA LYS 96 -8.566 3.267 -0.697 595 HB3 LYS 96 2HB LYS 96 -9.845 5.453 -2.274 596 HG3 LYS 96 2HG LYS 96 -10.548 2.982 -2.042 597 HD3 LYS 96 2HD LYS 96 -10.386 2.883 0.496 598 HE3 LYS 96 2HE LYS 96 -12.855 4.662 0.219 599 HZ1 LYS 96 3HZ LYS 96 -13.276 3.040 1.879 600 HZ2 LYS 96 1HZ LYS 96 -12.986 4.457 2.596 601 HZ3 LYS 96 2HZ LYS 96 -11.817 3.304 2.638 602 H LYS 97 H LYS 97 -8.317 2.230 -2.594 603 HA LYS 97 HA LYS 97 -6.112 2.923 -4.304 604 HB3 LYS 97 2HB LYS 97 -8.322 0.865 -4.652 605 HG3 LYS 97 2HG LYS 97 -5.559 1.164 -5.875 606 HD3 LYS 97 2HD LYS 97 -7.250 -1.082 -6.801 607 HE3 LYS 97 2HE LYS 97 -4.452 -0.839 -5.632 608 HZ1 LYS 97 3HZ LYS 97 -5.359 -2.914 -7.542 609 HZ2 LYS 97 1HZ LYS 97 -5.427 -3.158 -5.917 610 HZ3 LYS 97 2HZ LYS 97 -3.990 -2.873 -6.667 611 H GLN 98 H GLN 98 -6.170 4.202 -6.060 612 HA GLN 98 HA GLN 98 -8.779 5.197 -7.109 613 HB3 GLN 98 2HB GLN 98 -7.393 7.060 -7.968 614 HG3 GLN 98 2HG GLN 98 -6.209 7.429 -5.465 615 HE21 GLN 98 1HE2 GLN 98 -9.707 7.597 -5.105 616 HE22 GLN 98 2HE2 GLN 98 -9.693 9.352 -5.255 617 H LYS 99 H LYS 99 -8.524 2.772 -7.872 618 HA LYS 99 HA LYS 99 -8.550 2.890 -10.618 619 HB3 LYS 99 2HB LYS 99 -6.589 0.738 -9.838 620 HG3 LYS 99 2HG LYS 99 -6.425 2.546 -12.251 621 HD3 LYS 99 2HD LYS 99 -5.741 0.484 -13.425 622 HE3 LYS 99 2HE LYS 99 -4.139 0.753 -10.853 623 HZ1 LYS 99 3HZ LYS 99 -3.576 -1.076 -12.464 624 HZ2 LYS 99 1HZ LYS 99 -2.363 -0.057 -12.100 625 HZ3 LYS 99 2HZ LYS 99 -3.148 0.085 -13.544 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -13.218 -6.858 14.667 2 HA2 GLY 1 1HA GLY 1 -10.657 -8.051 15.553 3 HA3 GLY 1 2HA GLY 1 -11.885 -9.015 14.690 4 H GLU 2 H GLU 2 -9.038 -7.507 14.079 5 HA GLU 2 HA GLU 2 -9.882 -6.503 11.395 6 HB3 GLU 2 2HB GLU 2 -7.387 -5.562 11.661 7 HG3 GLU 2 2HG GLU 2 -9.210 -4.122 11.103 8 H ASP 3 H ASP 3 -9.713 -8.065 9.987 9 HA ASP 3 HA ASP 3 -7.427 -9.928 10.009 10 HB3 ASP 3 2HB ASP 3 -8.762 -11.085 8.194 11 H TRP 4 H TRP 4 -5.982 -9.369 8.655 12 HA TRP 4 HA TRP 4 -6.595 -7.834 6.173 13 HB3 TRP 4 2HB TRP 4 -4.240 -6.978 6.443 14 HD1 TRP 4 HD TRP 4 -5.741 -6.331 9.915 15 HE1 TRP 4 1HE TRP 4 -6.783 -4.014 9.968 16 HE3 TRP 4 3HE TRP 4 -5.500 -5.361 5.018 17 HZ2 TRP 4 2HZ TRP 4 -7.533 -1.890 7.894 18 HZ3 TRP 4 3HZ TRP 4 -6.345 -3.222 4.024 19 HH2 TRP 4 HH TRP 4 -7.320 -1.504 5.501 20 H THR 5 H THR 5 -5.395 -8.462 4.271 21 HA THR 5 HA THR 5 -4.479 -11.230 4.227 22 HB THR 5 HB THR 5 -3.763 -10.389 1.818 23 HG1 THR 5 1HG THR 5 -4.457 -8.103 2.608 24 HG21 THR 5 3HG2 THR 5 -5.578 -11.957 2.239 25 HG22 THR 5 1HG2 THR 5 -6.034 -10.793 0.984 26 HG23 THR 5 2HG2 THR 5 -6.684 -10.622 2.637 27 H GLU 6 H GLU 6 -2.382 -11.623 3.084 28 HA GLU 6 HA GLU 6 -0.028 -10.525 4.286 29 HB3 GLU 6 2HB GLU 6 0.966 -11.318 2.014 30 HG3 GLU 6 2HG GLU 6 -0.393 -13.260 3.889 31 H LEU 7 H LEU 7 0.913 -8.605 3.894 32 HA LEU 7 HA LEU 7 0.327 -6.951 1.624 33 HB3 LEU 7 2HB LEU 7 3.015 -6.656 2.860 34 HG LEU 7 HG LEU 7 0.423 -5.299 2.807 35 HD11 LEU 7 1HD1 LEU 7 2.910 -4.034 4.011 36 HD12 LEU 7 2HD1 LEU 7 1.534 -4.654 4.939 37 HD13 LEU 7 3HD1 LEU 7 1.314 -3.268 3.845 38 HD21 LEU 7 3HD2 LEU 7 1.508 -5.241 0.769 39 HD22 LEU 7 1HD2 LEU 7 2.858 -4.338 1.522 40 HD23 LEU 7 2HD2 LEU 7 1.208 -3.631 1.505 41 H ASN 8 H ASN 8 1.025 -7.381 -0.423 42 HA ASN 8 HA ASN 8 3.666 -8.398 -0.401 43 HB3 ASN 8 2HB ASN 8 3.373 -10.042 -2.279 44 HD21 ASN 8 1HD2 ASN 8 0.241 -10.940 -1.559 45 HD22 ASN 8 2HD2 ASN 8 0.546 -12.068 -0.262 46 H SER 9 H SER 9 4.667 -8.196 -2.726 47 HA SER 9 HA SER 9 4.272 -5.574 -3.812 48 HB3 SER 9 2HB SER 9 6.428 -6.373 -3.722 49 HG SER 9 HG SER 9 7.110 -8.313 -4.661 50 H ASN 10 H ASN 10 1.833 -6.962 -3.947 51 HA ASN 10 HA ASN 10 1.374 -7.335 -6.884 52 HB3 ASN 10 2HB ASN 10 0.045 -9.307 -6.444 53 HD21 ASN 10 1HD2 ASN 10 3.040 -8.927 -7.128 54 HD22 ASN 10 2HD2 ASN 10 3.735 -10.381 -6.455 55 H ASN 11 H ASN 11 -0.281 -7.364 -3.679 56 HA ASN 11 HA ASN 11 -2.656 -6.125 -4.810 57 HB3 ASN 11 2HB ASN 11 -3.095 -7.667 -3.124 58 HD21 ASN 11 1HD2 ASN 11 -3.001 -8.470 -0.900 59 HD22 ASN 11 2HD2 ASN 11 -1.516 -8.359 -0.002 60 H ILE 12 H ILE 12 0.292 -4.892 -3.245 61 HA ILE 12 HA ILE 12 -0.783 -2.335 -2.606 62 HB ILE 12 HB ILE 12 1.112 -3.433 -1.546 63 HG13 ILE 12 2HG1 ILE 12 1.905 -0.756 -2.742 64 HG21 ILE 12 1HG2 ILE 12 2.180 -4.316 -3.731 65 HG22 ILE 12 2HG2 ILE 12 2.839 -2.685 -3.942 66 HG23 ILE 12 3HG2 ILE 12 3.284 -3.646 -2.525 67 HD11 ILE 12 3HD1 ILE 12 0.690 -1.417 -0.029 68 HD12 ILE 12 1HD1 ILE 12 1.182 0.186 -0.596 69 HD13 ILE 12 2HD1 ILE 12 -0.194 -0.613 -1.362 70 H ILE 13 H ILE 13 0.060 -3.650 -5.661 71 HA ILE 13 HA ILE 13 1.278 -1.376 -6.823 72 HB ILE 13 HB ILE 13 -0.288 -3.595 -8.202 73 HG13 ILE 13 2HG1 ILE 13 1.826 -4.840 -8.418 74 HG21 ILE 13 1HG2 ILE 13 1.948 -1.740 -9.137 75 HG22 ILE 13 2HG2 ILE 13 1.361 -3.143 -10.045 76 HG23 ILE 13 3HG2 ILE 13 0.270 -1.798 -9.702 77 HD11 ILE 13 3HD1 ILE 13 3.415 -2.913 -7.845 78 HD12 ILE 13 1HD1 ILE 13 2.914 -3.125 -6.162 79 HD13 ILE 13 2HD1 ILE 13 3.718 -4.451 -7.017 80 H GLY 14 H GLY 14 0.314 0.589 -7.250 81 HA2 GLY 14 1HA GLY 14 -1.766 1.189 -8.839 82 HA3 GLY 14 2HA GLY 14 -2.603 0.854 -7.318 83 H TYR 15 H TYR 15 -2.979 3.307 -8.161 84 HA TYR 15 HA TYR 15 -1.196 5.147 -6.663 85 HB3 TYR 15 2HB TYR 15 -3.426 6.580 -7.290 86 HD1 TYR 15 1HD TYR 15 -0.411 5.199 -9.100 87 HD2 TYR 15 2HD TYR 15 -2.975 8.600 -8.404 88 HE1 TYR 15 1HE TYR 15 1.246 6.660 -10.139 89 HE2 TYR 15 2HE TYR 15 -1.273 10.096 -9.393 90 HH TYR 15 HH TYR 15 0.942 10.248 -10.213 91 H TRP 16 H TRP 16 -2.138 6.265 -4.785 92 HA TRP 16 HA TRP 16 -4.559 4.986 -3.638 93 HB3 TRP 16 2HB TRP 16 -3.425 4.689 -1.479 94 HD1 TRP 16 HD TRP 16 -0.650 3.513 -3.831 95 HE1 TRP 16 1HE TRP 16 -0.786 0.964 -4.129 96 HE3 TRP 16 3HE TRP 16 -5.064 2.615 -1.377 97 HZ2 TRP 16 2HZ TRP 16 -2.525 -1.164 -3.393 98 HZ3 TRP 16 3HZ TRP 16 -5.921 0.260 -1.190 99 HH2 TRP 16 HH TRP 16 -4.704 -1.584 -2.252 100 H SER 17 H SER 17 -5.825 6.408 -2.453 101 HA SER 17 HA SER 17 -4.946 9.254 -2.218 102 HB3 SER 17 2HB SER 17 -7.284 7.995 -3.704 103 HG SER 17 HG SER 17 -6.903 10.805 -3.593 104 H THR 18 H THR 18 -6.144 10.473 -0.658 105 HA THR 18 HA THR 18 -7.991 8.902 1.055 106 HB THR 18 HB THR 18 -7.927 10.572 2.666 107 HG1 THR 18 1HG THR 18 -6.849 12.456 2.530 108 HG21 THR 18 3HG2 THR 18 -5.909 8.996 2.464 109 HG22 THR 18 1HG2 THR 18 -5.706 10.445 3.468 110 HG23 THR 18 2HG2 THR 18 -5.028 10.427 1.826 111 H GLY 19 H GLY 19 -7.901 12.238 -0.073 112 HA2 GLY 19 1HA GLY 19 -10.376 11.943 -1.579 113 HA3 GLY 19 2HA GLY 19 -10.363 13.058 -0.184 114 H ILE 20 H ILE 20 -10.877 14.572 -1.987 115 HA ILE 20 HA ILE 20 -8.498 15.518 -3.523 116 HB ILE 20 HB ILE 20 -10.113 16.225 -5.218 117 HG13 ILE 20 2HG1 ILE 20 -12.064 16.695 -3.769 118 HG21 ILE 20 1HG2 ILE 20 -10.601 14.042 -6.094 119 HG22 ILE 20 2HG2 ILE 20 -9.086 13.923 -5.197 120 HG23 ILE 20 3HG2 ILE 20 -10.586 13.307 -4.483 121 HD11 ILE 20 3HD1 ILE 20 -12.506 16.170 -6.181 122 HD12 ILE 20 1HD1 ILE 20 -12.853 14.487 -5.701 123 HD13 ILE 20 2HD1 ILE 20 -13.841 15.806 -5.066 124 H GLU 21 H GLU 21 -9.343 16.298 -0.745 125 HA GLU 21 HA GLU 21 -9.877 19.185 -1.074 126 HB3 GLU 21 2HB GLU 21 -12.056 18.215 -0.652 127 HG3 GLU 21 2HG GLU 21 -10.622 16.547 1.454 128 H GLY 22 H GLY 22 -9.218 20.392 0.861 129 HA2 GLY 22 1HA GLY 22 -7.861 20.851 2.602 130 HA3 GLY 22 2HA GLY 22 -8.188 19.199 3.158 131 H THR 23 H THR 23 -5.931 19.552 4.032 132 HA THR 23 HA THR 23 -3.763 19.337 2.032 133 HB THR 23 HB THR 23 -3.736 19.512 5.061 134 HG1 THR 23 1HG THR 23 -4.053 21.494 4.422 135 HG21 THR 23 3HG2 THR 23 -1.396 19.584 3.120 136 HG22 THR 23 1HG2 THR 23 -1.783 18.203 4.140 137 HG23 THR 23 2HG2 THR 23 -1.317 19.748 4.884 138 H HIS 24 H HIS 24 -4.211 17.442 1.013 139 HA HIS 24 HA HIS 24 -4.363 14.957 2.634 140 HB3 HIS 24 2HB HIS 24 -6.431 15.315 1.382 141 HD1 HIS 24 1HD HIS 24 -6.686 17.455 -0.111 142 HD2 HIS 24 2HD HIS 24 -4.489 14.295 -1.829 143 HE1 HIS 24 1HE HIS 24 -6.433 18.021 -2.611 144 H LYS 25 H LYS 25 -3.762 13.046 0.920 145 HA LYS 25 HA LYS 25 -1.028 13.579 -0.087 146 HB3 LYS 25 2HB LYS 25 -0.558 11.382 1.358 147 HG3 LYS 25 2HG LYS 25 -0.211 14.219 1.822 148 HD3 LYS 25 2HD LYS 25 -0.558 12.648 4.375 149 HE3 LYS 25 2HE LYS 25 0.092 15.579 3.773 150 HZ1 LYS 25 3HZ LYS 25 -1.033 15.465 5.868 151 HZ2 LYS 25 1HZ LYS 25 0.586 15.638 6.147 152 HZ3 LYS 25 2HZ LYS 25 -0.140 14.173 6.349 153 H LEU 26 H LEU 26 -0.182 11.905 -1.330 154 HA LEU 26 HA LEU 26 -2.089 9.954 -2.477 155 HB3 LEU 26 2HB LEU 26 -0.220 11.589 -4.208 156 HG LEU 26 HG LEU 26 -2.042 11.740 -5.775 157 HD11 LEU 26 1HD1 LEU 26 -1.889 8.850 -4.896 158 HD12 LEU 26 2HD1 LEU 26 -0.696 9.693 -5.903 159 HD13 LEU 26 3HD1 LEU 26 -2.362 9.480 -6.469 160 HD21 LEU 26 3HD2 LEU 26 -3.862 11.906 -4.092 161 HD22 LEU 26 1HD2 LEU 26 -3.785 10.149 -3.868 162 HD23 LEU 26 2HD2 LEU 26 -4.234 10.825 -5.446 163 H LEU 27 H LEU 27 -1.014 8.014 -3.144 164 HA LEU 27 HA LEU 27 1.971 8.011 -3.175 165 HB3 LEU 27 2HB LEU 27 1.875 5.577 -2.500 166 HG LEU 27 HG LEU 27 0.793 7.429 -0.362 167 HD11 LEU 27 1HD1 LEU 27 1.482 5.731 1.213 168 HD12 LEU 27 2HD1 LEU 27 2.269 4.793 -0.049 169 HD13 LEU 27 3HD1 LEU 27 0.513 4.886 -0.003 170 HD21 LEU 27 3HD2 LEU 27 3.020 8.058 -1.213 171 HD22 LEU 27 1HD2 LEU 27 3.625 6.425 -0.900 172 HD23 LEU 27 2HD2 LEU 27 3.114 7.498 0.445 173 H SER 28 H SER 28 2.753 6.099 -4.430 174 HA SER 28 HA SER 28 0.902 4.757 -6.145 175 HB3 SER 28 2HB SER 28 3.343 6.155 -7.330 176 HG SER 28 HG SER 28 3.152 4.456 -8.599 177 H PHE 29 H PHE 29 1.931 2.834 -6.879 178 HA PHE 29 HA PHE 29 4.637 2.110 -6.046 179 HB3 PHE 29 2HB PHE 29 3.902 -0.053 -5.046 180 HD1 PHE 29 1HD PHE 29 5.602 1.319 -3.657 181 HD2 PHE 29 2HD PHE 29 1.343 1.908 -3.386 182 HE1 PHE 29 1HE PHE 29 5.909 2.538 -1.536 183 HE2 PHE 29 2HE PHE 29 1.652 3.127 -1.257 184 HZ PHE 29 HZ PHE 29 3.968 3.409 -0.308 185 H ASP 30 H ASP 30 5.452 1.276 -7.963 186 HA ASP 30 HA ASP 30 3.618 0.017 -9.901 187 HB3 ASP 30 2HB ASP 30 5.832 -0.059 -11.177 188 H GLU 31 H GLU 31 4.205 -2.057 -10.734 189 HA GLU 31 HA GLU 31 5.333 -3.855 -8.712 190 HB3 GLU 31 2HB GLU 31 3.321 -4.395 -10.037 191 HG3 GLU 31 2HG GLU 31 5.260 -4.691 -12.356 192 H ASP 32 H ASP 32 6.448 -2.331 -11.710 193 HA ASP 32 HA ASP 32 9.054 -3.670 -11.248 194 HB3 ASP 32 2HB ASP 32 7.988 -3.061 -13.966 195 H GLY 33 H GLY 33 7.770 -0.882 -10.751 196 HA2 GLY 33 1HA GLY 33 10.085 0.721 -11.792 197 HA3 GLY 33 2HA GLY 33 8.486 1.395 -11.471 198 H THR 34 H THR 34 8.344 2.424 -9.574 199 HA THR 34 HA THR 34 9.651 1.531 -7.115 200 HB THR 34 HB THR 34 10.287 4.026 -6.836 201 HG1 THR 34 1HG THR 34 10.407 3.970 -9.668 202 HG21 THR 34 3HG2 THR 34 11.905 2.593 -8.965 203 HG22 THR 34 1HG2 THR 34 11.887 2.105 -7.275 204 HG23 THR 34 2HG2 THR 34 12.451 3.724 -7.712 205 H GLY 35 H GLY 35 8.702 3.678 -5.534 206 HA2 GLY 35 1HA GLY 35 5.824 3.936 -6.252 207 HA3 GLY 35 2HA GLY 35 6.377 3.787 -4.593 208 H SER 36 H SER 36 5.039 5.835 -4.817 209 HA SER 36 HA SER 36 6.788 8.214 -5.127 210 HB3 SER 36 2HB SER 36 3.943 8.209 -6.127 211 HG SER 36 HG SER 36 4.977 9.764 -7.580 212 H PHE 37 H PHE 37 5.829 10.098 -4.057 213 HA PHE 37 HA PHE 37 3.536 9.741 -2.308 214 HB3 PHE 37 2HB PHE 37 6.289 10.219 -1.153 215 HD1 PHE 37 2HD PHE 37 2.659 9.860 0.033 216 HD2 PHE 37 1HD PHE 37 6.556 11.615 0.656 217 HE1 PHE 37 2HE PHE 37 1.843 11.024 2.047 218 HE2 PHE 37 1HE PHE 37 5.731 12.750 2.679 219 HZ PHE 37 HZ PHE 37 3.355 12.465 3.377 220 H GLY 38 H GLY 38 2.387 11.460 -2.878 221 HA2 GLY 38 1HA GLY 38 3.719 14.108 -3.252 222 HA3 GLY 38 2HA GLY 38 2.187 13.620 -3.974 223 H ILE 39 H ILE 39 2.842 15.842 -2.137 224 HA ILE 39 HA ILE 39 0.654 15.340 -0.177 225 HB ILE 39 HB ILE 39 3.005 17.206 0.319 226 HG13 ILE 39 2HG1 ILE 39 3.623 14.773 0.592 227 HG21 ILE 39 1HG2 ILE 39 1.948 17.498 2.578 228 HG22 ILE 39 2HG2 ILE 39 0.954 18.088 1.269 229 HG23 ILE 39 3HG2 ILE 39 0.566 16.529 2.010 230 HD11 ILE 39 3HD1 ILE 39 4.697 16.538 2.039 231 HD12 ILE 39 1HD1 ILE 39 3.519 16.121 3.309 232 HD13 ILE 39 2HD1 ILE 39 4.657 14.907 2.731 233 H TYR 40 H TYR 40 -0.920 16.907 -0.238 234 HA TYR 40 HA TYR 40 -0.636 19.077 -2.257 235 HB3 TYR 40 2HB TYR 40 -3.140 18.671 -2.561 236 HD1 TYR 40 1HD TYR 40 -1.629 15.257 -2.635 237 HD2 TYR 40 2HD TYR 40 -2.458 18.866 -4.846 238 HE1 TYR 40 1HE TYR 40 -1.118 14.087 -4.763 239 HE2 TYR 40 2HE TYR 40 -1.998 17.698 -6.958 240 HH TYR 40 HH TYR 40 -1.390 15.717 -7.964 241 H SER 41 H SER 41 -2.065 20.889 -1.822 242 HA SER 41 HA SER 41 -3.506 20.944 0.751 243 HB3 SER 41 2HB SER 41 -2.988 23.546 0.374 244 HG SER 41 HG SER 41 -2.467 22.078 2.256 245 H ASN 42 H ASN 42 -5.461 20.734 0.082 246 HA ASN 42 HA ASN 42 -7.413 20.879 -0.839 247 HB3 ASN 42 2HB ASN 42 -7.956 23.339 -1.741 248 HD21 ASN 42 1HD2 ASN 42 -9.784 22.395 -0.617 249 HD22 ASN 42 2HD2 ASN 42 -9.934 22.621 1.119 250 H ALA 43 H ALA 43 -5.614 22.808 -3.265 251 HA ALA 43 HA ALA 43 -6.155 20.773 -5.291 252 HB1 ALA 43 1HB ALA 43 -7.232 23.623 -5.593 253 HB2 ALA 43 2HB ALA 43 -7.193 22.389 -6.864 254 HB3 ALA 43 3HB ALA 43 -8.207 22.131 -5.437 255 H THR 44 H THR 44 -3.765 21.494 -4.021 256 HA THR 44 HA THR 44 -2.225 22.549 -6.286 257 HB THR 44 HB THR 44 -2.087 23.703 -3.439 258 HG1 THR 44 1HG THR 44 -3.588 24.261 -5.649 259 HG21 THR 44 3HG2 THR 44 -0.782 24.597 -6.072 260 HG22 THR 44 1HG2 THR 44 0.064 23.773 -4.746 261 HG23 THR 44 2HG2 THR 44 -0.616 25.377 -4.486 262 HA PRO 45 HA PRO 45 0.260 19.179 -4.346 263 HB3 PRO 45 2HB PRO 45 0.681 18.297 -6.454 264 HG3 PRO 45 2HG PRO 45 0.745 19.683 -8.374 265 HD3 PRO 45 2HD PRO 45 -1.284 20.374 -7.422 266 H ILE 46 H ILE 46 1.861 19.506 -2.861 267 HA ILE 46 HA ILE 46 3.433 22.047 -2.957 268 HB ILE 46 HB ILE 46 2.290 20.722 -0.478 269 HG13 ILE 46 2HG1 ILE 46 0.627 22.415 -0.272 270 HG21 ILE 46 1HG2 ILE 46 3.671 23.391 -0.936 271 HG22 ILE 46 2HG2 ILE 46 2.770 22.986 0.537 272 HG23 ILE 46 3HG2 ILE 46 4.204 22.047 0.088 273 HD11 ILE 46 3HD1 ILE 46 1.555 23.578 -2.923 274 HD12 ILE 46 1HD1 ILE 46 0.004 23.938 -2.134 275 HD13 ILE 46 2HD1 ILE 46 1.520 24.389 -1.345 276 H SER 47 H SER 47 3.472 18.524 -2.397 277 HA SER 47 HA SER 47 6.371 18.708 -2.516 278 HB3 SER 47 2HB SER 47 5.009 17.174 -0.279 279 HG SER 47 HG SER 47 6.669 15.940 -0.679 280 H PHE 48 H PHE 48 7.262 16.757 -3.020 281 HA PHE 48 HA PHE 48 5.800 14.558 -4.253 282 HB3 PHE 48 2HB PHE 48 7.511 16.491 -5.879 283 HD1 PHE 48 1HD PHE 48 5.122 13.570 -6.293 284 HD2 PHE 48 2HD PHE 48 8.675 15.589 -7.692 285 HE1 PHE 48 1HE PHE 48 5.414 11.866 -8.031 286 HE2 PHE 48 2HE PHE 48 8.967 13.851 -9.431 287 HZ PHE 48 HZ PHE 48 7.339 11.976 -9.610 288 H GLN 49 H GLN 49 7.191 12.764 -3.995 289 HA GLN 49 HA GLN 49 10.008 13.004 -4.291 290 HB3 GLN 49 2HB GLN 49 10.078 13.444 -1.884 291 HG3 GLN 49 2HG GLN 49 8.182 11.090 -1.651 292 HE21 GLN 49 1HE2 GLN 49 10.246 10.025 -0.661 293 HE22 GLN 49 2HE2 GLN 49 10.242 10.070 1.094 294 H MET 50 H MET 50 10.858 10.647 -4.452 295 HA MET 50 HA MET 50 8.739 8.640 -4.566 296 HB3 MET 50 2HB MET 50 9.863 7.681 -6.576 297 HG3 MET 50 2HG MET 50 8.818 10.453 -7.241 298 HE1 MET 50 3HE MET 50 9.902 10.278 -9.683 299 HE2 MET 50 1HE MET 50 10.736 8.849 -9.043 300 HE3 MET 50 2HE MET 50 9.913 8.753 -10.610 301 H PHE 51 H PHE 51 9.841 6.432 -4.656 302 HA PHE 51 HA PHE 51 12.475 6.225 -3.659 303 HB3 PHE 51 2HB PHE 51 11.865 6.794 -1.518 304 HD1 PHE 51 1HD PHE 51 9.896 8.283 -1.443 305 HD2 PHE 51 2HD PHE 51 9.600 4.046 -0.972 306 HE1 PHE 51 1HE PHE 51 7.784 8.596 -0.167 307 HE2 PHE 51 2HE PHE 51 7.501 4.330 0.358 308 HZ PHE 51 HZ PHE 51 6.594 6.615 0.767 309 H ASP 52 H ASP 52 13.141 4.047 -3.632 310 HA ASP 52 HA ASP 52 11.500 2.063 -5.089 311 HB3 ASP 52 2HB ASP 52 13.404 0.543 -4.089 312 H TYR 53 H TYR 53 11.060 -0.090 -3.915 313 HA TYR 53 HA TYR 53 11.037 0.031 -1.053 314 HB3 TYR 53 2HB TYR 53 8.850 1.127 -1.630 315 HD1 TYR 53 2HD TYR 53 8.537 0.884 -4.259 316 HD2 TYR 53 1HD TYR 53 7.295 -2.076 -1.399 317 HE1 TYR 53 2HE TYR 53 7.073 -0.144 -5.986 318 HE2 TYR 53 1HE TYR 53 5.764 -3.078 -3.095 319 HH TYR 53 HH TYR 53 5.655 -1.941 -6.475 320 H LYS 54 H LYS 54 10.553 -2.165 -0.138 321 HA LYS 54 HA LYS 54 9.839 -4.190 -2.154 322 HB3 LYS 54 2HB LYS 54 11.154 -5.933 -0.938 323 HG3 LYS 54 2HG LYS 54 13.497 -5.170 -1.557 324 HD3 LYS 54 2HD LYS 54 11.215 -5.264 -3.460 325 HE3 LYS 54 2HE LYS 54 13.948 -4.277 -4.356 326 HZ1 LYS 54 3HZ LYS 54 12.889 -5.352 -6.152 327 HZ2 LYS 54 1HZ LYS 54 12.630 -3.758 -6.353 328 HZ3 LYS 54 2HZ LYS 54 11.398 -4.690 -5.809 329 H ILE 55 H ILE 55 8.542 -5.897 -1.202 330 HA ILE 55 HA ILE 55 7.482 -5.306 1.510 331 HB ILE 55 HB ILE 55 6.179 -7.053 -0.600 332 HG13 ILE 55 2HG1 ILE 55 4.541 -5.334 -0.962 333 HG21 ILE 55 1HG2 ILE 55 4.132 -6.576 0.970 334 HG22 ILE 55 2HG2 ILE 55 5.340 -7.760 1.491 335 HG23 ILE 55 3HG2 ILE 55 5.327 -6.129 2.176 336 HD11 ILE 55 3HD1 ILE 55 4.996 -4.086 1.306 337 HD12 ILE 55 1HD1 ILE 55 6.286 -3.292 0.406 338 HD13 ILE 55 2HD1 ILE 55 4.593 -3.142 -0.155 339 H GLU 56 H GLU 56 8.926 -6.335 2.791 340 HA GLU 56 HA GLU 56 9.635 -9.150 2.175 341 HB3 GLU 56 2HB GLU 56 11.725 -7.107 2.975 342 HG3 GLU 56 2HG GLU 56 11.794 -9.914 1.741 343 H GLU 57 H GLU 57 7.812 -7.995 3.955 344 HA GLU 57 HA GLU 57 8.384 -9.342 6.280 345 HB3 GLU 57 2HB GLU 57 8.292 -6.789 7.535 346 HG3 GLU 57 2HG GLU 57 10.534 -7.448 8.406 347 H GLY 58 H GLY 58 6.142 -8.502 4.344 348 HA2 GLY 58 1HA GLY 58 3.804 -8.160 4.536 349 HA3 GLY 58 2HA GLY 58 3.939 -8.592 6.242 350 H ARG 59 H ARG 59 5.931 -6.153 4.911 351 HA ARG 59 HA ARG 59 4.691 -3.762 6.020 352 HB3 ARG 59 2HB ARG 59 6.927 -3.296 7.164 353 HG3 ARG 59 2HG ARG 59 5.468 -5.730 8.293 354 HD3 ARG 59 2HD ARG 59 7.477 -3.781 9.471 355 HE ARG 59 HE ARG 59 5.686 -4.013 11.055 356 HH11 ARG 59 1HH1 ARG 59 7.674 -7.084 10.814 357 HH12 ARG 59 2HH1 ARG 59 7.340 -7.468 12.421 358 HH21 ARG 59 1HH2 ARG 59 5.311 -4.613 13.089 359 HH22 ARG 59 2HH2 ARG 59 6.224 -5.919 13.816 360 H ILE 60 H ILE 60 6.208 -1.989 5.272 361 HA ILE 60 HA ILE 60 7.272 -2.677 2.563 362 HB ILE 60 HB ILE 60 7.316 0.155 3.585 363 HG13 ILE 60 2HG1 ILE 60 4.942 -0.699 4.007 364 HG21 ILE 60 1HG2 ILE 60 6.748 -1.111 0.853 365 HG22 ILE 60 2HG2 ILE 60 7.058 0.598 1.152 366 HG23 ILE 60 3HG2 ILE 60 8.337 -0.578 1.410 367 HD11 ILE 60 3HD1 ILE 60 5.214 1.664 3.658 368 HD12 ILE 60 1HD1 ILE 60 5.224 1.472 1.897 369 HD13 ILE 60 2HD1 ILE 60 3.775 1.091 2.826 370 H TYR 61 H TYR 61 9.487 -2.170 2.104 371 HA TYR 61 HA TYR 61 11.282 -1.325 4.317 372 HB3 TYR 61 2HB TYR 61 11.781 -3.267 2.017 373 HD1 TYR 61 2HD TYR 61 13.399 -1.715 5.107 374 HD2 TYR 61 1HD TYR 61 13.955 -3.417 1.164 375 HE1 TYR 61 2HE TYR 61 15.790 -1.415 5.335 376 HE2 TYR 61 1HE TYR 61 16.399 -3.100 1.394 377 HH TYR 61 HH TYR 61 17.827 -1.577 4.334 378 H ILE 62 H ILE 62 12.154 0.667 3.773 379 HA ILE 62 HA ILE 62 12.174 1.558 0.941 380 HB ILE 62 HB ILE 62 12.175 3.243 3.481 381 HG13 ILE 62 2HG1 ILE 62 9.800 3.745 3.091 382 HG21 ILE 62 1HG2 ILE 62 13.013 4.426 1.559 383 HG22 ILE 62 2HG2 ILE 62 11.651 3.894 0.554 384 HG23 ILE 62 3HG2 ILE 62 11.385 5.031 1.895 385 HD11 ILE 62 3HD1 ILE 62 9.597 2.840 0.735 386 HD12 ILE 62 1HD1 ILE 62 9.658 1.229 1.404 387 HD13 ILE 62 2HD1 ILE 62 8.336 2.323 1.867 388 H TYR 63 H TYR 63 14.208 2.180 0.187 389 HA TYR 63 HA TYR 63 16.495 2.533 1.982 390 HB3 TYR 63 2HB TYR 63 16.223 0.080 1.921 391 HD1 TYR 63 1HD TYR 63 14.205 -0.624 0.607 392 HD2 TYR 63 2HD TYR 63 17.994 0.206 -1.311 393 HE1 TYR 63 1HE TYR 63 13.379 -1.634 -1.471 394 HE2 TYR 63 2HE TYR 63 17.180 -0.855 -3.376 395 HH TYR 63 HH TYR 63 15.227 -1.613 -4.494 396 H ASP 64 H ASP 64 15.021 3.726 -0.652 397 HA ASP 64 HA ASP 64 17.365 5.030 -1.469 398 HB3 ASP 64 2HB ASP 64 15.781 3.784 -3.750 399 H VAL 65 H VAL 65 16.570 7.082 -1.573 400 HA VAL 65 HA VAL 65 13.730 7.586 -2.162 401 HB VAL 65 HB VAL 65 15.197 8.861 0.194 402 HG11 VAL 65 1HG1 VAL 65 12.282 8.908 -0.665 403 HG12 VAL 65 2HG1 VAL 65 12.901 9.603 0.845 404 HG13 VAL 65 3HG1 VAL 65 13.422 10.263 -0.702 405 HG21 VAL 65 3HG2 VAL 65 13.723 7.567 1.719 406 HG22 VAL 65 1HG2 VAL 65 13.177 6.593 0.330 407 HG23 VAL 65 2HG2 VAL 65 14.876 6.548 0.856 408 H TYR 66 H TYR 66 13.433 9.580 -3.251 409 HA TYR 66 HA TYR 66 15.823 11.311 -3.613 410 HB3 TYR 66 2HB TYR 66 14.858 9.473 -5.592 411 HD1 TYR 66 1HD TYR 66 12.438 10.129 -5.889 412 HD2 TYR 66 2HD TYR 66 15.683 12.578 -7.237 413 HE1 TYR 66 1HE TYR 66 10.872 11.384 -7.411 414 HE2 TYR 66 2HE TYR 66 14.185 13.813 -8.739 415 HH TYR 66 HH TYR 66 11.510 12.830 -9.844 416 HA PRO 67 HA PRO 67 15.988 13.141 -5.187 417 HB3 PRO 67 2HB PRO 67 14.965 15.021 -6.131 418 HG3 PRO 67 2HG PRO 67 13.559 16.462 -4.761 419 HD3 PRO 67 2HD PRO 67 12.625 14.295 -4.939 420 H ASP 68 H ASP 68 15.060 13.619 -1.979 421 HA ASP 68 HA ASP 68 17.874 14.121 -1.077 422 HB3 ASP 68 2HB ASP 68 15.444 14.725 0.602 423 H GLU 69 H GLU 69 18.687 12.389 -0.094 424 HA GLU 69 HA GLU 69 17.126 9.937 0.020 425 HB3 GLU 69 2HB GLU 69 19.343 9.027 0.893 426 HG3 GLU 69 2HG GLU 69 19.484 10.357 -1.842 427 H LYS 70 H LYS 70 16.174 9.202 1.852 428 HA LYS 70 HA LYS 70 16.979 10.336 4.496 429 HB3 LYS 70 2HB LYS 70 14.886 9.598 5.357 430 HG3 LYS 70 2HG LYS 70 14.103 10.634 2.597 431 HD3 LYS 70 2HD LYS 70 12.964 11.328 5.332 432 HE3 LYS 70 2HE LYS 70 10.894 11.767 4.126 433 HZ1 LYS 70 3HZ LYS 70 12.668 13.568 4.057 434 HZ2 LYS 70 1HZ LYS 70 11.457 13.671 2.970 435 HZ3 LYS 70 2HZ LYS 70 12.887 13.129 2.466 436 H THR 71 H THR 71 17.073 8.674 6.235 437 HA THR 71 HA THR 71 18.727 6.466 5.757 438 HB THR 71 HB THR 71 17.999 7.853 7.840 439 HG1 THR 71 1HG THR 71 18.547 5.126 8.285 440 HG21 THR 71 3HG2 THR 71 16.116 5.505 8.127 441 HG22 THR 71 1HG2 THR 71 15.653 7.198 7.824 442 HG23 THR 71 2HG2 THR 71 16.448 6.740 9.351 443 HA PRO 72 HA PRO 72 15.700 3.419 4.273 444 HB3 PRO 72 2HB PRO 72 17.315 1.826 3.716 445 HG3 PRO 72 2HG PRO 72 19.428 1.929 4.800 446 HD3 PRO 72 2HD PRO 72 19.021 4.199 4.334 447 H TYR 73 H TYR 73 13.881 2.357 5.253 448 HA TYR 73 HA TYR 73 14.019 1.491 8.028 449 HB3 TYR 73 2HB TYR 73 13.504 3.746 8.552 450 HD1 TYR 73 2HD TYR 73 10.218 3.030 6.958 451 HD2 TYR 73 1HD TYR 73 13.701 5.545 6.942 452 HE1 TYR 73 2HE TYR 73 9.181 4.488 5.221 453 HE2 TYR 73 1HE TYR 73 12.706 6.964 5.192 454 HH TYR 73 HH TYR 73 10.816 7.207 3.670 455 H TYR 74 H TYR 74 11.916 0.497 8.673 456 HA TYR 74 HA TYR 74 10.486 -0.638 6.330 457 HB3 TYR 74 2HB TYR 74 9.623 -2.339 7.988 458 HD1 TYR 74 2HD TYR 74 13.281 -1.997 8.681 459 HD2 TYR 74 1HD TYR 74 10.254 -3.883 6.257 460 HE1 TYR 74 2HE TYR 74 14.966 -3.581 7.831 461 HE2 TYR 74 1HE TYR 74 11.941 -5.482 5.394 462 HH TYR 74 HH TYR 74 15.402 -5.337 6.348 463 H LEU 75 H LEU 75 8.124 -0.771 6.617 464 HA LEU 75 HA LEU 75 6.977 1.214 8.540 465 HB3 LEU 75 2HB LEU 75 5.321 1.803 6.716 466 HG LEU 75 HG LEU 75 8.180 2.603 6.096 467 HD11 LEU 75 1HD1 LEU 75 5.484 3.705 5.216 468 HD12 LEU 75 2HD1 LEU 75 6.820 3.107 4.205 469 HD13 LEU 75 3HD1 LEU 75 6.991 4.622 5.074 470 HD21 LEU 75 3HD2 LEU 75 7.588 4.709 7.348 471 HD22 LEU 75 1HD2 LEU 75 7.653 3.291 8.384 472 HD23 LEU 75 2HD2 LEU 75 6.074 3.932 7.865 473 H ASP 76 H ASP 76 5.591 0.255 9.777 474 HA ASP 76 HA ASP 76 4.249 -2.258 9.349 475 HB3 ASP 76 2HB ASP 76 2.776 -1.485 11.171 476 H CYS 77 H CYS 77 2.738 -2.506 7.688 477 HA CYS 77 HA CYS 77 0.577 -0.643 7.672 478 HB3 CYS 77 2HB CYS 77 0.513 0.054 5.466 479 HG CYS 77 HG CYS 77 3.671 -0.560 6.162 480 H LYS 78 H LYS 78 -1.230 -1.669 6.528 481 HA LYS 78 HA LYS 78 -0.821 -4.471 5.672 482 HB3 LYS 78 2HB LYS 78 -2.917 -5.205 6.650 483 HG3 LYS 78 2HG LYS 78 -0.900 -4.321 8.479 484 HD3 LYS 78 2HD LYS 78 -3.738 -3.982 9.551 485 HE3 LYS 78 2HE LYS 78 -2.512 -3.133 11.559 486 HZ1 LYS 78 3HZ LYS 78 -2.975 -5.498 11.627 487 HZ2 LYS 78 1HZ LYS 78 -1.498 -5.203 12.278 488 HZ3 LYS 78 2HZ LYS 78 -1.560 -5.813 10.790 489 H ILE 79 H ILE 79 -2.819 -5.305 4.411 490 HA ILE 79 HA ILE 79 -4.153 -3.244 2.882 491 HB ILE 79 HB ILE 79 -1.713 -3.530 2.083 492 HG13 ILE 79 2HG1 ILE 79 -3.524 -2.424 0.854 493 HG21 ILE 79 1HG2 ILE 79 -1.097 -5.402 0.770 494 HG22 ILE 79 2HG2 ILE 79 -1.750 -6.065 2.273 495 HG23 ILE 79 3HG2 ILE 79 -2.743 -6.083 0.812 496 HD11 ILE 79 3HD1 ILE 79 -1.230 -2.492 -0.019 497 HD12 ILE 79 1HD1 ILE 79 -1.628 -3.965 -0.935 498 HD13 ILE 79 2HD1 ILE 79 -2.468 -2.444 -1.295 499 H SER 80 H SER 80 -5.854 -4.118 1.658 500 HA SER 80 HA SER 80 -6.604 -6.919 1.668 501 HB3 SER 80 2HB SER 80 -8.818 -6.332 2.574 502 HG SER 80 HG SER 80 -7.852 -7.660 3.843 503 H GLY 81 H GLY 81 -5.971 -5.818 -0.380 504 HA2 GLY 81 1HA GLY 81 -6.581 -5.522 -2.603 505 HA3 GLY 81 2HA GLY 81 -8.274 -5.522 -2.095 506 H THR 82 H THR 82 -8.924 -3.398 -0.927 507 HA THR 82 HA THR 82 -7.937 -1.114 -2.570 508 HB THR 82 HB THR 82 -10.508 -0.531 -2.366 509 HG1 THR 82 1HG THR 82 -10.830 -2.502 -0.988 510 HG21 THR 82 3HG2 THR 82 -10.862 -1.879 -4.444 511 HG22 THR 82 1HG2 THR 82 -9.354 -2.744 -4.133 512 HG23 THR 82 2HG2 THR 82 -9.331 -0.999 -4.467 513 H THR 83 H THR 83 -7.789 -1.933 0.569 514 HA THR 83 HA THR 83 -8.007 0.905 1.486 515 HB THR 83 HB THR 83 -8.291 -1.585 3.199 516 HG1 THR 83 1HG THR 83 -10.496 -1.043 3.299 517 HG21 THR 83 3HG2 THR 83 -7.476 0.602 4.242 518 HG22 THR 83 1HG2 THR 83 -8.936 -0.067 4.969 519 HG23 THR 83 2HG2 THR 83 -9.041 1.305 3.822 520 H LEU 84 H LEU 84 -5.840 1.486 1.250 521 HA LEU 84 HA LEU 84 -3.682 -0.342 2.220 522 HB3 LEU 84 2HB LEU 84 -3.625 2.509 1.192 523 HG LEU 84 HG LEU 84 -1.713 2.273 2.733 524 HD11 LEU 84 1HD1 LEU 84 -1.508 -0.041 3.033 525 HD12 LEU 84 2HD1 LEU 84 -0.005 0.592 2.392 526 HD13 LEU 84 3HD1 LEU 84 -1.111 -0.302 1.311 527 HD21 LEU 84 3HD2 LEU 84 0.080 2.619 1.063 528 HD22 LEU 84 1HD2 LEU 84 -1.411 3.370 0.470 529 HD23 LEU 84 2HD2 LEU 84 -0.888 1.813 -0.187 530 H LYS 85 H LYS 85 -3.248 -0.402 4.392 531 HA LYS 85 HA LYS 85 -4.050 1.946 6.073 532 HB3 LYS 85 2HB LYS 85 -4.025 -1.040 6.750 533 HG3 LYS 85 2HG LYS 85 -4.704 1.431 8.411 534 HD3 LYS 85 2HD LYS 85 -5.033 -1.529 9.049 535 HE3 LYS 85 2HE LYS 85 -3.948 -0.274 10.924 536 HZ1 LYS 85 3HZ LYS 85 -6.474 1.275 10.995 537 HZ2 LYS 85 1HZ LYS 85 -4.988 1.894 10.592 538 HZ3 LYS 85 2HZ LYS 85 -5.231 1.311 12.091 539 H VAL 86 H VAL 86 -2.020 2.995 5.950 540 HA VAL 86 HA VAL 86 0.370 1.500 6.898 541 HB VAL 86 HB VAL 86 0.031 4.436 6.322 542 HG11 VAL 86 1HG1 VAL 86 1.830 4.123 7.825 543 HG12 VAL 86 2HG1 VAL 86 2.517 2.798 6.867 544 HG13 VAL 86 3HG1 VAL 86 2.512 4.459 6.240 545 HG21 VAL 86 3HG2 VAL 86 -0.235 3.082 4.255 546 HG22 VAL 86 1HG2 VAL 86 1.261 4.014 4.254 547 HG23 VAL 86 2HG2 VAL 86 1.297 2.275 4.590 548 H GLU 87 H GLU 87 0.969 1.421 8.932 549 HA GLU 87 HA GLU 87 -0.698 2.739 10.994 550 HB3 GLU 87 2HB GLU 87 0.430 1.132 12.489 551 HG3 GLU 87 2HG GLU 87 -0.466 -0.319 9.963 552 H THR 88 H THR 88 2.463 3.263 9.623 553 HA THR 88 HA THR 88 2.933 5.354 11.656 554 HB THR 88 HB THR 88 3.846 3.336 12.601 555 HG1 THR 88 1HG THR 88 4.814 5.163 13.179 556 HG21 THR 88 3HG2 THR 88 5.766 3.251 10.262 557 HG22 THR 88 1HG2 THR 88 4.408 2.130 10.540 558 HG23 THR 88 2HG2 THR 88 5.758 2.168 11.680 559 H GLY 89 H GLY 89 4.766 6.788 11.163 560 HA2 GLY 89 1HA GLY 89 6.142 7.958 9.753 561 HA3 GLY 89 2HA GLY 89 5.786 6.845 8.455 562 H SER 90 H SER 90 5.750 9.124 7.544 563 HA SER 90 HA SER 90 3.763 11.032 7.840 564 HB3 SER 90 2HB SER 90 4.278 11.315 5.326 565 HG SER 90 HG SER 90 6.399 11.167 7.222 566 H GLU 91 H GLU 91 3.445 7.829 6.474 567 HA GLU 91 HA GLU 91 0.941 8.723 5.123 568 HB3 GLU 91 2HB GLU 91 1.140 6.211 4.236 569 HG3 GLU 91 2HG GLU 91 2.553 7.212 2.423 570 H ALA 92 H ALA 92 1.516 7.801 8.086 571 HA ALA 92 HA ALA 92 -0.052 5.561 8.635 572 HB1 ALA 92 1HB ALA 92 -0.167 6.382 10.959 573 HB2 ALA 92 2HB ALA 92 1.460 6.597 10.279 574 HB3 ALA 92 3HB ALA 92 0.375 7.990 10.436 575 H GLY 93 H GLY 93 -2.081 5.282 7.894 576 HA2 GLY 93 1HA GLY 93 -4.381 6.644 8.843 577 HA3 GLY 93 2HA GLY 93 -3.921 7.381 7.304 578 H THR 94 H THR 94 -5.416 6.689 5.889 579 HA THR 94 HA THR 94 -5.635 3.894 5.244 580 HB THR 94 HB THR 94 -7.317 3.952 6.945 581 HG1 THR 94 1HG THR 94 -8.917 3.174 5.736 582 HG21 THR 94 3HG2 THR 94 -8.575 6.365 5.563 583 HG22 THR 94 1HG2 THR 94 -7.734 6.380 7.137 584 HG23 THR 94 2HG2 THR 94 -9.236 5.477 6.928 585 H TYR 95 H TYR 95 -5.833 3.763 3.050 586 HA TYR 95 HA TYR 95 -6.692 6.186 1.528 587 HB3 TYR 95 2HB TYR 95 -4.865 5.665 -0.088 588 HD1 TYR 95 1HD TYR 95 -3.651 5.390 3.404 589 HD2 TYR 95 2HD TYR 95 -4.090 7.961 -0.014 590 HE1 TYR 95 1HE TYR 95 -2.625 7.270 4.687 591 HE2 TYR 95 2HE TYR 95 -2.850 9.739 1.167 592 HH TYR 95 HH TYR 95 -1.161 9.653 3.404 593 H LYS 96 H LYS 96 -7.883 5.800 -0.217 594 HA LYS 96 HA LYS 96 -8.745 3.023 -0.814 595 HB3 LYS 96 2HB LYS 96 -9.991 4.381 -2.698 596 HG3 LYS 96 2HG LYS 96 -11.013 3.203 -0.718 597 HD3 LYS 96 2HD LYS 96 -10.844 6.002 0.463 598 HE3 LYS 96 2HE LYS 96 -12.337 3.720 1.773 599 HZ1 LYS 96 3HZ LYS 96 -13.846 5.623 2.246 600 HZ2 LYS 96 1HZ LYS 96 -12.781 6.644 1.554 601 HZ3 LYS 96 2HZ LYS 96 -12.367 5.841 2.933 602 H LYS 97 H LYS 97 -8.460 2.211 -2.976 603 HA LYS 97 HA LYS 97 -5.866 2.885 -4.201 604 HB3 LYS 97 2HB LYS 97 -8.121 0.955 -4.892 605 HG3 LYS 97 2HG LYS 97 -5.498 1.449 -6.344 606 HD3 LYS 97 2HD LYS 97 -6.705 -0.638 -7.627 607 HE3 LYS 97 2HE LYS 97 -4.796 -1.501 -5.496 608 HZ1 LYS 97 3HZ LYS 97 -5.121 -2.831 -7.534 609 HZ2 LYS 97 1HZ LYS 97 -3.606 -2.177 -7.513 610 HZ3 LYS 97 2HZ LYS 97 -4.750 -1.500 -8.449 611 H GLN 98 H GLN 98 -5.707 3.724 -6.361 612 HA GLN 98 HA GLN 98 -8.098 4.608 -7.770 613 HB3 GLN 98 2HB GLN 98 -6.823 6.752 -8.420 614 HG3 GLN 98 2HG GLN 98 -7.351 8.085 -6.429 615 HE21 GLN 98 1HE2 GLN 98 -9.937 7.455 -5.112 616 HE22 GLN 98 2HE2 GLN 98 -11.078 7.367 -6.444 617 H LYS 99 H LYS 99 -7.534 4.933 -10.033 618 HA LYS 99 HA LYS 99 -6.737 4.225 -11.991 619 HB3 LYS 99 2HB LYS 99 -4.365 4.427 -12.478 620 HG3 LYS 99 2HG LYS 99 -3.728 6.630 -11.515 621 HD3 LYS 99 2HD LYS 99 -5.946 7.901 -11.989 622 HE3 LYS 99 2HE LYS 99 -5.911 7.103 -14.497 623 HZ1 LYS 99 3HZ LYS 99 -3.518 8.240 -13.177 624 HZ2 LYS 99 1HZ LYS 99 -4.778 9.066 -13.807 625 HZ3 LYS 99 2HZ LYS 99 -3.758 8.251 -14.792 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -14.186 -6.785 13.298 2 HA2 GLY 1 1HA GLY 1 -11.739 -7.443 14.848 3 HA3 GLY 1 2HA GLY 1 -12.648 -8.687 13.950 4 H GLU 2 H GLU 2 -10.062 -6.508 13.623 5 HA GLU 2 HA GLU 2 -10.743 -5.784 10.810 6 HB3 GLU 2 2HB GLU 2 -9.123 -4.055 10.999 7 HG3 GLU 2 2HG GLU 2 -10.672 -4.009 13.633 8 H ASP 3 H ASP 3 -10.408 -7.778 9.931 9 HA ASP 3 HA ASP 3 -7.846 -9.145 10.367 10 HB3 ASP 3 2HB ASP 3 -9.038 -11.042 9.262 11 H TRP 4 H TRP 4 -6.501 -8.877 8.955 12 HA TRP 4 HA TRP 4 -7.056 -7.754 6.257 13 HB3 TRP 4 2HB TRP 4 -4.722 -6.909 6.442 14 HD1 TRP 4 HD TRP 4 -5.961 -6.164 9.941 15 HE1 TRP 4 1HE TRP 4 -6.953 -3.778 10.025 16 HE3 TRP 4 3HE TRP 4 -6.164 -5.392 5.060 17 HZ2 TRP 4 2HZ TRP 4 -8.041 -1.821 7.918 18 HZ3 TRP 4 3HZ TRP 4 -7.152 -3.328 4.024 19 HH2 TRP 4 HH TRP 4 -8.079 -1.590 5.506 20 H THR 5 H THR 5 -5.675 -8.473 4.424 21 HA THR 5 HA THR 5 -4.767 -11.261 4.539 22 HB THR 5 HB THR 5 -3.911 -10.639 2.187 23 HG1 THR 5 1HG THR 5 -4.334 -8.248 2.721 24 HG21 THR 5 3HG2 THR 5 -6.876 -10.539 2.765 25 HG22 THR 5 1HG2 THR 5 -5.875 -11.947 2.320 26 HG23 THR 5 2HG2 THR 5 -6.149 -10.667 1.149 27 H GLU 6 H GLU 6 -2.501 -11.539 3.536 28 HA GLU 6 HA GLU 6 -0.391 -10.085 4.843 29 HB3 GLU 6 2HB GLU 6 0.853 -11.091 2.745 30 HG3 GLU 6 2HG GLU 6 -0.559 -12.806 4.816 31 H LEU 7 H LEU 7 0.830 -8.489 4.014 32 HA LEU 7 HA LEU 7 0.036 -6.939 1.641 33 HB3 LEU 7 2HB LEU 7 2.387 -6.784 3.593 34 HG LEU 7 HG LEU 7 2.611 -5.484 1.385 35 HD11 LEU 7 1HD1 LEU 7 0.377 -3.905 2.726 36 HD12 LEU 7 2HD1 LEU 7 0.310 -4.708 1.132 37 HD13 LEU 7 3HD1 LEU 7 1.367 -3.301 1.372 38 HD21 LEU 7 3HD2 LEU 7 3.905 -4.973 3.354 39 HD22 LEU 7 1HD2 LEU 7 2.549 -4.071 4.077 40 HD23 LEU 7 2HD2 LEU 7 3.374 -3.463 2.611 41 H ASN 8 H ASN 8 1.076 -7.390 -0.302 42 HA ASN 8 HA ASN 8 3.596 -8.913 -0.322 43 HB3 ASN 8 2HB ASN 8 2.895 -10.338 -2.126 44 HD21 ASN 8 1HD2 ASN 8 -0.225 -10.872 -1.085 45 HD22 ASN 8 2HD2 ASN 8 0.137 -12.054 0.153 46 H SER 9 H SER 9 4.606 -8.611 -2.498 47 HA SER 9 HA SER 9 4.600 -5.880 -3.275 48 HB3 SER 9 2HB SER 9 5.777 -8.086 -4.977 49 HG SER 9 HG SER 9 6.440 -6.170 -5.728 50 H ASN 10 H ASN 10 2.221 -8.041 -4.084 51 HA ASN 10 HA ASN 10 1.685 -6.680 -6.704 52 HB3 ASN 10 2HB ASN 10 0.147 -8.487 -7.184 53 HD21 ASN 10 1HD2 ASN 10 3.342 -9.666 -5.717 54 HD22 ASN 10 2HD2 ASN 10 3.959 -10.088 -7.286 55 H ASN 11 H ASN 11 0.289 -7.716 -3.550 56 HA ASN 11 HA ASN 11 -2.254 -6.732 -3.811 57 HB3 ASN 11 2HB ASN 11 -2.316 -6.634 -1.379 58 HD21 ASN 11 1HD2 ASN 11 -2.204 -8.532 0.138 59 HD22 ASN 11 2HD2 ASN 11 -2.186 -10.082 -0.608 60 H ILE 12 H ILE 12 0.661 -4.806 -3.326 61 HA ILE 12 HA ILE 12 -0.790 -2.491 -2.273 62 HB ILE 12 HB ILE 12 1.277 -3.231 -1.273 63 HG13 ILE 12 2HG1 ILE 12 1.717 -0.529 -2.596 64 HG21 ILE 12 1HG2 ILE 12 2.748 -2.516 -3.838 65 HG22 ILE 12 2HG2 ILE 12 3.457 -3.119 -2.339 66 HG23 ILE 12 3HG2 ILE 12 2.430 -4.179 -3.300 67 HD11 ILE 12 3HD1 ILE 12 0.594 -1.245 0.150 68 HD12 ILE 12 1HD1 ILE 12 0.972 0.386 -0.432 69 HD13 ILE 12 2HD1 ILE 12 -0.341 -0.530 -1.190 70 H ILE 13 H ILE 13 -0.053 -3.621 -5.386 71 HA ILE 13 HA ILE 13 1.070 -1.302 -6.563 72 HB ILE 13 HB ILE 13 -0.312 -3.762 -7.757 73 HG13 ILE 13 2HG1 ILE 13 1.982 -4.650 -8.048 74 HG21 ILE 13 1HG2 ILE 13 1.508 -1.721 -9.089 75 HG22 ILE 13 2HG2 ILE 13 1.125 -3.310 -9.765 76 HG23 ILE 13 3HG2 ILE 13 -0.166 -2.128 -9.505 77 HD11 ILE 13 3HD1 ILE 13 3.200 -2.394 -7.802 78 HD12 ILE 13 1HD1 ILE 13 2.916 -2.552 -6.058 79 HD13 ILE 13 2HD1 ILE 13 3.878 -3.767 -6.919 80 H GLY 14 H GLY 14 0.234 0.452 -7.435 81 HA2 GLY 14 1HA GLY 14 -1.534 1.146 -9.109 82 HA3 GLY 14 2HA GLY 14 -2.696 0.720 -7.845 83 H TYR 15 H TYR 15 -3.178 3.121 -8.251 84 HA TYR 15 HA TYR 15 -1.459 4.959 -6.662 85 HB3 TYR 15 2HB TYR 15 -3.576 6.446 -7.289 86 HD1 TYR 15 2HD TYR 15 -0.865 4.850 -9.430 87 HD2 TYR 15 1HD TYR 15 -2.907 8.430 -8.181 88 HE1 TYR 15 2HE TYR 15 0.802 6.208 -10.633 89 HE2 TYR 15 1HE TYR 15 -1.235 9.806 -9.371 90 HH TYR 15 HH TYR 15 1.700 8.519 -10.789 91 H TRP 16 H TRP 16 -2.855 6.262 -5.035 92 HA TRP 16 HA TRP 16 -4.980 4.670 -3.763 93 HB3 TRP 16 2HB TRP 16 -4.006 5.037 -1.534 94 HD1 TRP 16 HD TRP 16 -0.948 3.835 -3.464 95 HE1 TRP 16 1HE TRP 16 -0.801 1.252 -3.408 96 HE3 TRP 16 3HE TRP 16 -5.362 2.784 -1.098 97 HZ2 TRP 16 2HZ TRP 16 -2.501 -0.937 -2.713 98 HZ3 TRP 16 3HZ TRP 16 -6.083 0.373 -0.796 99 HH2 TRP 16 HH TRP 16 -4.673 -1.436 -1.650 100 H SER 17 H SER 17 -5.939 6.388 -1.896 101 HA SER 17 HA SER 17 -5.146 9.087 -2.136 102 HB3 SER 17 2HB SER 17 -7.633 8.255 -3.655 103 HG SER 17 HG SER 17 -8.605 9.806 -2.521 104 H THR 18 H THR 18 -6.603 10.494 -0.729 105 HA THR 18 HA THR 18 -8.017 8.951 1.386 106 HB THR 18 HB THR 18 -5.582 9.253 1.791 107 HG1 THR 18 1HG THR 18 -6.740 8.737 3.528 108 HG21 THR 18 3HG2 THR 18 -6.222 12.155 2.416 109 HG22 THR 18 1HG2 THR 18 -5.305 11.585 0.996 110 HG23 THR 18 2HG2 THR 18 -4.658 11.328 2.615 111 H GLY 19 H GLY 19 -7.829 11.946 -0.543 112 HA2 GLY 19 1HA GLY 19 -10.394 12.774 0.116 113 HA3 GLY 19 2HA GLY 19 -9.258 13.644 1.186 114 H ILE 20 H ILE 20 -10.615 15.164 -0.580 115 HA ILE 20 HA ILE 20 -8.765 15.779 -2.823 116 HB ILE 20 HB ILE 20 -10.712 16.034 -4.266 117 HG13 ILE 20 2HG1 ILE 20 -12.392 16.554 -2.439 118 HG21 ILE 20 1HG2 ILE 20 -10.682 13.256 -3.015 119 HG22 ILE 20 2HG2 ILE 20 -11.156 13.688 -4.661 120 HG23 ILE 20 3HG2 ILE 20 -9.482 13.880 -4.161 121 HD11 ILE 20 3HD1 ILE 20 -13.321 14.287 -4.221 122 HD12 ILE 20 1HD1 ILE 20 -14.309 15.542 -3.464 123 HD13 ILE 20 2HD1 ILE 20 -13.162 15.981 -4.746 124 H GLU 21 H GLU 21 -9.255 16.970 -0.092 125 HA GLU 21 HA GLU 21 -9.709 19.781 -0.802 126 HB3 GLU 21 2HB GLU 21 -11.963 18.863 -0.149 127 HG3 GLU 21 2HG GLU 21 -10.459 17.674 2.105 128 H GLY 22 H GLY 22 -9.369 21.015 1.412 129 HA2 GLY 22 1HA GLY 22 -7.926 21.621 3.056 130 HA3 GLY 22 2HA GLY 22 -8.135 19.945 3.615 131 H THR 23 H THR 23 -6.246 18.775 3.818 132 HA THR 23 HA THR 23 -4.012 19.372 1.979 133 HB THR 23 HB THR 23 -3.748 19.142 4.994 134 HG1 THR 23 1HG THR 23 -4.517 21.133 4.272 135 HG21 THR 23 3HG2 THR 23 -1.349 19.710 4.517 136 HG22 THR 23 1HG2 THR 23 -1.695 19.523 2.774 137 HG23 THR 23 2HG2 THR 23 -1.835 18.131 3.858 138 H HIS 24 H HIS 24 -4.074 17.476 0.830 139 HA HIS 24 HA HIS 24 -4.419 14.927 2.327 140 HB3 HIS 24 2HB HIS 24 -6.453 15.309 1.136 141 HD1 HIS 24 1HD HIS 24 -6.812 17.575 -0.186 142 HD2 HIS 24 2HD HIS 24 -4.561 14.602 -2.174 143 HE1 HIS 24 1HE HIS 24 -6.628 18.296 -2.640 144 H LYS 25 H LYS 25 -3.635 13.036 0.785 145 HA LYS 25 HA LYS 25 -0.871 13.728 -0.075 146 HB3 LYS 25 2HB LYS 25 -0.161 11.841 1.406 147 HG3 LYS 25 2HG LYS 25 -0.848 14.522 2.386 148 HD3 LYS 25 2HD LYS 25 -0.858 12.219 4.358 149 HE3 LYS 25 2HE LYS 25 -0.858 15.195 4.971 150 HZ1 LYS 25 3HZ LYS 25 -0.756 12.802 6.715 151 HZ2 LYS 25 1HZ LYS 25 -2.016 13.854 6.618 152 HZ3 LYS 25 2HZ LYS 25 -0.598 14.353 7.243 153 H LEU 26 H LEU 26 -0.170 12.382 -1.664 154 HA LEU 26 HA LEU 26 -2.022 10.263 -2.593 155 HB3 LEU 26 2HB LEU 26 -0.572 11.887 -4.653 156 HG LEU 26 HG LEU 26 -2.658 11.772 -5.870 157 HD11 LEU 26 1HD1 LEU 26 -2.983 9.248 -6.069 158 HD12 LEU 26 2HD1 LEU 26 -1.670 9.105 -4.902 159 HD13 LEU 26 3HD1 LEU 26 -1.380 9.928 -6.423 160 HD21 LEU 26 3HD2 LEU 26 -4.648 10.646 -5.084 161 HD22 LEU 26 1HD2 LEU 26 -4.230 11.989 -4.027 162 HD23 LEU 26 2HD2 LEU 26 -3.903 10.321 -3.512 163 H LEU 27 H LEU 27 -0.798 8.516 -1.945 164 HA LEU 27 HA LEU 27 2.003 8.095 -2.765 165 HB3 LEU 27 2HB LEU 27 1.401 5.689 -2.088 166 HG LEU 27 HG LEU 27 1.079 7.822 0.015 167 HD11 LEU 27 1HD1 LEU 27 1.512 4.843 0.376 168 HD12 LEU 27 2HD1 LEU 27 0.009 5.743 0.720 169 HD13 LEU 27 3HD1 LEU 27 1.482 6.077 1.650 170 HD21 LEU 27 3HD2 LEU 27 3.353 7.267 0.685 171 HD22 LEU 27 1HD2 LEU 27 3.317 7.730 -1.023 172 HD23 LEU 27 2HD2 LEU 27 3.452 6.025 -0.599 173 H SER 28 H SER 28 2.610 6.551 -4.380 174 HA SER 28 HA SER 28 0.540 5.010 -5.694 175 HB3 SER 28 2HB SER 28 0.603 6.766 -7.228 176 HG SER 28 HG SER 28 2.428 7.925 -6.580 177 H PHE 29 H PHE 29 1.481 3.067 -6.732 178 HA PHE 29 HA PHE 29 4.302 2.499 -6.131 179 HB3 PHE 29 2HB PHE 29 3.555 0.231 -5.311 180 HD1 PHE 29 2HD PHE 29 5.311 1.181 -3.844 181 HD2 PHE 29 1HD PHE 29 1.211 2.435 -3.508 182 HE1 PHE 29 2HE PHE 29 5.843 2.317 -1.748 183 HE2 PHE 29 1HE PHE 29 1.752 3.615 -1.386 184 HZ PHE 29 HZ PHE 29 4.076 3.531 -0.473 185 H ASP 30 H ASP 30 5.233 1.694 -7.980 186 HA ASP 30 HA ASP 30 3.575 0.604 -10.145 187 HB3 ASP 30 2HB ASP 30 5.850 0.584 -11.242 188 H GLU 31 H GLU 31 4.262 -1.503 -11.002 189 HA GLU 31 HA GLU 31 4.860 -3.384 -8.899 190 HB3 GLU 31 2HB GLU 31 4.463 -3.849 -11.881 191 HG3 GLU 31 2HG GLU 31 3.592 -5.486 -9.469 192 H ASP 32 H ASP 32 6.545 -1.997 -11.632 193 HA ASP 32 HA ASP 32 8.972 -3.578 -10.975 194 HB3 ASP 32 2HB ASP 32 8.004 -3.165 -13.768 195 H GLY 33 H GLY 33 8.205 -0.917 -10.268 196 HA2 GLY 33 1HA GLY 33 10.282 0.692 -11.700 197 HA3 GLY 33 2HA GLY 33 8.681 1.384 -11.368 198 H THR 34 H THR 34 8.386 2.334 -9.382 199 HA THR 34 HA THR 34 9.904 1.622 -7.033 200 HB THR 34 HB THR 34 10.497 4.127 -6.763 201 HG1 THR 34 1HG THR 34 10.979 5.116 -8.826 202 HG21 THR 34 3HG2 THR 34 12.641 3.901 -7.724 203 HG22 THR 34 1HG2 THR 34 12.064 2.784 -8.975 204 HG23 THR 34 2HG2 THR 34 12.153 2.261 -7.282 205 H GLY 35 H GLY 35 8.966 3.731 -5.405 206 HA2 GLY 35 1HA GLY 35 6.016 3.826 -5.823 207 HA3 GLY 35 2HA GLY 35 6.796 3.792 -4.233 208 H SER 36 H SER 36 5.108 5.912 -4.907 209 HA SER 36 HA SER 36 7.050 8.164 -4.737 210 HB3 SER 36 2HB SER 36 5.485 9.487 -6.262 211 HG SER 36 HG SER 36 6.904 7.342 -7.509 212 H PHE 37 H PHE 37 6.180 10.039 -3.695 213 HA PHE 37 HA PHE 37 3.496 9.802 -2.415 214 HB3 PHE 37 2HB PHE 37 6.203 10.199 -1.117 215 HD1 PHE 37 2HD PHE 37 2.574 10.078 0.083 216 HD2 PHE 37 1HD PHE 37 6.536 11.823 0.485 217 HE1 PHE 37 2HE PHE 37 1.839 11.460 2.037 218 HE2 PHE 37 1HE PHE 37 5.774 13.101 2.447 219 HZ PHE 37 HZ PHE 37 3.408 12.922 3.219 220 H GLY 38 H GLY 38 2.412 11.684 -2.985 221 HA2 GLY 38 1HA GLY 38 3.966 14.233 -3.141 222 HA3 GLY 38 2HA GLY 38 2.509 13.886 -4.086 223 H ILE 39 H ILE 39 2.811 16.058 -2.226 224 HA ILE 39 HA ILE 39 0.507 15.450 -0.451 225 HB ILE 39 HB ILE 39 2.736 17.410 0.222 226 HG13 ILE 39 2HG1 ILE 39 3.549 15.124 0.552 227 HG21 ILE 39 1HG2 ILE 39 1.558 17.741 2.342 228 HG22 ILE 39 2HG2 ILE 39 0.479 18.107 1.030 229 HG23 ILE 39 3HG2 ILE 39 0.310 16.552 1.868 230 HD11 ILE 39 3HD1 ILE 39 4.008 16.874 2.370 231 HD12 ILE 39 1HD1 ILE 39 2.762 16.031 3.326 232 HD13 ILE 39 2HD1 ILE 39 4.210 15.169 2.801 233 H TYR 40 H TYR 40 -1.072 17.112 -0.504 234 HA TYR 40 HA TYR 40 -0.732 19.242 -2.542 235 HB3 TYR 40 2HB TYR 40 -3.124 18.670 -3.176 236 HD1 TYR 40 1HD TYR 40 -1.154 15.475 -2.843 237 HD2 TYR 40 2HD TYR 40 -2.559 18.604 -5.448 238 HE1 TYR 40 1HE TYR 40 -0.256 14.248 -4.789 239 HE2 TYR 40 2HE TYR 40 -1.806 17.313 -7.413 240 HH TYR 40 HH TYR 40 0.430 14.791 -7.205 241 H SER 41 H SER 41 -1.901 21.073 -2.051 242 HA SER 41 HA SER 41 -3.621 21.052 0.373 243 HB3 SER 41 2HB SER 41 -2.821 23.642 -0.941 244 HG SER 41 HG SER 41 -4.284 23.572 0.821 245 H ASN 42 H ASN 42 -5.692 21.000 -0.239 246 HA ASN 42 HA ASN 42 -7.641 21.300 -1.306 247 HB3 ASN 42 2HB ASN 42 -7.963 23.594 -2.143 248 HD21 ASN 42 1HD2 ASN 42 -9.033 23.206 -0.076 249 HD22 ASN 42 2HD2 ASN 42 -8.263 23.622 1.419 250 H ALA 43 H ALA 43 -5.783 22.790 -3.972 251 HA ALA 43 HA ALA 43 -5.827 20.408 -5.518 252 HB1 ALA 43 1HB ALA 43 -6.993 21.326 -7.522 253 HB2 ALA 43 2HB ALA 43 -8.077 21.005 -6.165 254 HB3 ALA 43 3HB ALA 43 -7.578 22.674 -6.523 255 H THR 44 H THR 44 -3.739 21.525 -4.526 256 HA THR 44 HA THR 44 -2.274 22.445 -6.873 257 HB THR 44 HB THR 44 -2.179 23.766 -4.112 258 HG1 THR 44 1HG THR 44 -3.717 24.692 -5.272 259 HG21 THR 44 3HG2 THR 44 -0.367 24.127 -6.530 260 HG22 THR 44 1HG2 THR 44 0.088 23.638 -4.888 261 HG23 THR 44 2HG2 THR 44 -0.470 25.282 -5.170 262 HA PRO 45 HA PRO 45 0.197 19.148 -4.796 263 HB3 PRO 45 2HB PRO 45 0.775 18.336 -6.894 264 HG3 PRO 45 2HG PRO 45 0.996 19.787 -8.756 265 HD3 PRO 45 2HD PRO 45 -1.125 20.371 -7.935 266 H ILE 46 H ILE 46 1.789 19.377 -3.241 267 HA ILE 46 HA ILE 46 3.284 21.960 -3.071 268 HB ILE 46 HB ILE 46 1.732 20.527 -0.894 269 HG13 ILE 46 2HG1 ILE 46 0.272 22.417 -0.765 270 HG21 ILE 46 1HG2 ILE 46 2.255 22.581 0.490 271 HG22 ILE 46 2HG2 ILE 46 3.618 21.481 0.199 272 HG23 ILE 46 3HG2 ILE 46 3.490 22.996 -0.722 273 HD11 ILE 46 3HD1 ILE 46 1.788 23.676 -3.088 274 HD12 ILE 46 1HD1 ILE 46 0.196 24.183 -2.497 275 HD13 ILE 46 2HD1 ILE 46 1.613 24.332 -1.448 276 H SER 47 H SER 47 3.375 18.424 -2.704 277 HA SER 47 HA SER 47 6.260 18.750 -2.464 278 HB3 SER 47 2HB SER 47 4.870 16.861 -0.539 279 HG SER 47 HG SER 47 6.888 16.747 0.341 280 H PHE 48 H PHE 48 7.236 16.596 -2.584 281 HA PHE 48 HA PHE 48 6.052 14.602 -4.306 282 HB3 PHE 48 2HB PHE 48 8.224 16.225 -5.682 283 HD1 PHE 48 1HD PHE 48 4.731 15.295 -6.571 284 HD2 PHE 48 2HD PHE 48 8.905 14.500 -7.259 285 HE1 PHE 48 1HE PHE 48 4.149 13.879 -8.546 286 HE2 PHE 48 2HE PHE 48 8.324 13.052 -9.174 287 HZ PHE 48 HZ PHE 48 5.927 12.779 -9.839 288 H GLN 49 H GLN 49 7.460 12.776 -4.430 289 HA GLN 49 HA GLN 49 10.270 12.990 -4.314 290 HB3 GLN 49 2HB GLN 49 9.917 12.948 -1.840 291 HG3 GLN 49 2HG GLN 49 8.498 10.292 -2.400 292 HE21 GLN 49 1HE2 GLN 49 9.083 8.769 -0.850 293 HE22 GLN 49 2HE2 GLN 49 9.387 9.185 0.799 294 H MET 50 H MET 50 11.180 10.805 -4.728 295 HA MET 50 HA MET 50 9.276 8.695 -5.524 296 HB3 MET 50 2HB MET 50 10.963 7.997 -7.215 297 HG3 MET 50 2HG MET 50 9.993 10.845 -7.703 298 HE1 MET 50 3HE MET 50 12.501 10.133 -10.709 299 HE2 MET 50 1HE MET 50 12.087 11.257 -9.394 300 HE3 MET 50 2HE MET 50 12.695 9.624 -9.022 301 H PHE 51 H PHE 51 10.216 6.539 -5.044 302 HA PHE 51 HA PHE 51 12.699 6.346 -3.568 303 HB3 PHE 51 2HB PHE 51 11.392 7.122 -1.725 304 HD1 PHE 51 2HD PHE 51 9.142 8.066 -2.534 305 HD2 PHE 51 1HD PHE 51 9.678 3.939 -1.482 306 HE1 PHE 51 2HE PHE 51 6.719 7.883 -1.978 307 HE2 PHE 51 1HE PHE 51 7.263 3.738 -0.992 308 HZ PHE 51 HZ PHE 51 5.759 5.713 -1.262 309 H ASP 52 H ASP 52 13.420 4.247 -3.677 310 HA ASP 52 HA ASP 52 11.702 2.243 -5.014 311 HB3 ASP 52 2HB ASP 52 14.283 1.431 -3.714 312 H TYR 53 H TYR 53 11.549 0.111 -3.916 313 HA TYR 53 HA TYR 53 11.393 0.119 -1.033 314 HB3 TYR 53 2HB TYR 53 9.259 1.322 -1.657 315 HD1 TYR 53 1HD TYR 53 8.844 1.132 -4.223 316 HD2 TYR 53 2HD TYR 53 7.681 -1.931 -1.438 317 HE1 TYR 53 1HE TYR 53 7.249 0.236 -5.892 318 HE2 TYR 53 2HE TYR 53 6.054 -2.818 -3.086 319 HH TYR 53 HH TYR 53 5.653 -1.467 -6.367 320 H LYS 54 H LYS 54 10.838 -2.070 -0.128 321 HA LYS 54 HA LYS 54 10.380 -4.148 -2.147 322 HB3 LYS 54 2HB LYS 54 12.027 -5.672 -0.940 323 HG3 LYS 54 2HG LYS 54 14.127 -4.595 -1.827 324 HD3 LYS 54 2HD LYS 54 11.677 -5.209 -3.412 325 HE3 LYS 54 2HE LYS 54 12.710 -3.076 -4.476 326 HZ1 LYS 54 3HZ LYS 54 15.005 -3.967 -4.456 327 HZ2 LYS 54 1HZ LYS 54 14.488 -3.543 -5.944 328 HZ3 LYS 54 2HZ LYS 54 14.575 -5.142 -5.508 329 H ILE 55 H ILE 55 9.416 -6.065 -1.306 330 HA ILE 55 HA ILE 55 8.195 -5.691 1.369 331 HB ILE 55 HB ILE 55 7.205 -7.457 -0.867 332 HG13 ILE 55 2HG1 ILE 55 5.401 -5.888 -1.261 333 HG21 ILE 55 1HG2 ILE 55 5.723 -6.626 1.663 334 HG22 ILE 55 2HG2 ILE 55 5.134 -7.640 0.353 335 HG23 ILE 55 3HG2 ILE 55 6.458 -8.229 1.335 336 HD11 ILE 55 3HD1 ILE 55 5.490 -3.552 -0.600 337 HD12 ILE 55 1HD1 ILE 55 5.243 -4.590 0.807 338 HD13 ILE 55 2HD1 ILE 55 6.850 -3.883 0.494 339 H GLU 56 H GLU 56 9.937 -6.596 2.623 340 HA GLU 56 HA GLU 56 10.632 -9.440 2.058 341 HB3 GLU 56 2HB GLU 56 12.899 -8.694 3.150 342 HG3 GLU 56 2HG GLU 56 13.593 -7.354 1.050 343 H GLU 57 H GLU 57 8.645 -8.271 3.830 344 HA GLU 57 HA GLU 57 8.872 -9.936 6.025 345 HB3 GLU 57 2HB GLU 57 9.082 -7.552 7.553 346 HG3 GLU 57 2HG GLU 57 10.694 -10.063 7.202 347 H GLY 58 H GLY 58 6.785 -8.708 4.179 348 HA2 GLY 58 1HA GLY 58 4.515 -8.403 4.243 349 HA3 GLY 58 2HA GLY 58 4.503 -8.758 5.950 350 H ARG 59 H ARG 59 6.613 -6.230 4.963 351 HA ARG 59 HA ARG 59 4.671 -4.056 5.586 352 HB3 ARG 59 2HB ARG 59 6.486 -3.011 7.028 353 HG3 ARG 59 2HG ARG 59 5.739 -5.822 7.940 354 HD3 ARG 59 2HD ARG 59 6.081 -3.285 9.559 355 HE ARG 59 HE ARG 59 4.545 -4.898 10.570 356 HH11 ARG 59 1HH1 ARG 59 8.005 -5.672 10.768 357 HH12 ARG 59 2HH1 ARG 59 7.811 -6.870 11.971 358 HH21 ARG 59 1HH2 ARG 59 4.251 -6.681 12.058 359 HH22 ARG 59 2HH2 ARG 59 5.622 -7.638 12.462 360 H ILE 60 H ILE 60 6.335 -1.827 5.079 361 HA ILE 60 HA ILE 60 7.394 -2.481 2.333 362 HB ILE 60 HB ILE 60 6.172 0.138 3.265 363 HG13 ILE 60 2HG1 ILE 60 4.523 -1.656 2.971 364 HG21 ILE 60 1HG2 ILE 60 8.058 0.310 1.586 365 HG22 ILE 60 2HG2 ILE 60 7.163 -0.775 0.518 366 HG23 ILE 60 3HG2 ILE 60 6.518 0.830 0.923 367 HD11 ILE 60 3HD1 ILE 60 3.791 0.511 2.136 368 HD12 ILE 60 1HD1 ILE 60 4.423 0.105 0.512 369 HD13 ILE 60 2HD1 ILE 60 3.094 -0.833 1.211 370 H TYR 61 H TYR 61 9.472 -2.673 2.409 371 HA TYR 61 HA TYR 61 11.191 -1.254 4.327 372 HB3 TYR 61 2HB TYR 61 11.828 -2.967 1.883 373 HD1 TYR 61 2HD TYR 61 13.201 -1.752 5.197 374 HD2 TYR 61 1HD TYR 61 14.076 -3.042 1.157 375 HE1 TYR 61 2HE TYR 61 15.585 -1.497 5.647 376 HE2 TYR 61 1HE TYR 61 16.484 -2.751 1.595 377 HH TYR 61 HH TYR 61 17.706 -1.652 4.811 378 H ILE 62 H ILE 62 11.857 0.828 3.884 379 HA ILE 62 HA ILE 62 11.967 1.800 1.074 380 HB ILE 62 HB ILE 62 11.794 3.372 3.681 381 HG13 ILE 62 2HG1 ILE 62 9.510 3.919 3.232 382 HG21 ILE 62 1HG2 ILE 62 11.621 4.255 0.767 383 HG22 ILE 62 2HG2 ILE 62 11.228 5.291 2.159 384 HG23 ILE 62 3HG2 ILE 62 12.870 4.668 1.961 385 HD11 ILE 62 3HD1 ILE 62 9.311 3.763 0.831 386 HD12 ILE 62 1HD1 ILE 62 9.576 2.004 0.878 387 HD13 ILE 62 2HD1 ILE 62 8.117 2.724 1.608 388 H TYR 63 H TYR 63 14.056 2.462 0.461 389 HA TYR 63 HA TYR 63 16.237 2.719 2.419 390 HB3 TYR 63 2HB TYR 63 15.938 0.259 2.087 391 HD1 TYR 63 1HD TYR 63 14.139 -0.208 0.262 392 HD2 TYR 63 2HD TYR 63 18.271 0.660 -0.668 393 HE1 TYR 63 1HE TYR 63 13.807 -1.050 -2.043 394 HE2 TYR 63 2HE TYR 63 17.952 -0.223 -2.932 395 HH TYR 63 HH TYR 63 16.192 -0.628 -4.520 396 H ASP 64 H ASP 64 14.769 4.068 -0.135 397 HA ASP 64 HA ASP 64 17.110 5.324 -1.214 398 HB3 ASP 64 2HB ASP 64 15.167 3.657 -2.909 399 H VAL 65 H VAL 65 16.335 7.426 -1.013 400 HA VAL 65 HA VAL 65 13.651 8.017 -1.949 401 HB VAL 65 HB VAL 65 14.706 9.226 0.651 402 HG11 VAL 65 1HG1 VAL 65 12.022 9.440 -0.781 403 HG12 VAL 65 2HG1 VAL 65 12.366 10.098 0.839 404 HG13 VAL 65 3HG1 VAL 65 13.229 10.725 -0.559 405 HG21 VAL 65 3HG2 VAL 65 14.106 6.919 1.189 406 HG22 VAL 65 1HG2 VAL 65 12.913 8.031 1.857 407 HG23 VAL 65 2HG2 VAL 65 12.537 7.114 0.381 408 H TYR 66 H TYR 66 13.666 10.152 -2.913 409 HA TYR 66 HA TYR 66 16.164 11.758 -2.849 410 HB3 TYR 66 2HB TYR 66 15.470 10.006 -5.012 411 HD1 TYR 66 2HD TYR 66 13.117 10.746 -5.622 412 HD2 TYR 66 1HD TYR 66 16.628 13.115 -6.437 413 HE1 TYR 66 2HE TYR 66 11.814 12.140 -7.227 414 HE2 TYR 66 1HE TYR 66 15.347 14.516 -7.977 415 HH TYR 66 HH TYR 66 13.077 15.148 -8.428 416 HA PRO 67 HA PRO 67 16.624 13.672 -4.249 417 HB3 PRO 67 2HB PRO 67 15.784 15.615 -5.272 418 HG3 PRO 67 2HG PRO 67 14.217 17.057 -4.045 419 HD3 PRO 67 2HD PRO 67 13.306 14.912 -4.569 420 H ASP 68 H ASP 68 15.180 14.052 -1.200 421 HA ASP 68 HA ASP 68 17.827 14.343 0.185 422 HB3 ASP 68 2HB ASP 68 15.978 14.499 2.182 423 H GLU 69 H GLU 69 18.502 12.272 0.199 424 HA GLU 69 HA GLU 69 16.749 10.029 0.527 425 HB3 GLU 69 2HB GLU 69 18.898 9.714 -0.506 426 HG3 GLU 69 2HG GLU 69 19.999 10.883 2.046 427 H LYS 70 H LYS 70 16.595 8.677 2.375 428 HA LYS 70 HA LYS 70 17.177 9.916 5.004 429 HB3 LYS 70 2HB LYS 70 15.015 9.106 5.817 430 HG3 LYS 70 2HG LYS 70 13.659 10.127 3.501 431 HD3 LYS 70 2HD LYS 70 13.128 10.627 5.947 432 HE3 LYS 70 2HE LYS 70 15.410 12.637 5.539 433 HZ1 LYS 70 3HZ LYS 70 14.949 13.122 7.871 434 HZ2 LYS 70 1HZ LYS 70 13.650 12.119 7.867 435 HZ3 LYS 70 2HZ LYS 70 13.616 13.479 6.943 436 H THR 71 H THR 71 17.277 8.221 6.701 437 HA THR 71 HA THR 71 18.807 5.922 6.053 438 HB THR 71 HB THR 71 18.532 7.257 8.222 439 HG1 THR 71 1HG THR 71 19.769 5.364 8.083 440 HG21 THR 71 3HG2 THR 71 16.293 5.255 8.647 441 HG22 THR 71 1HG2 THR 71 16.064 6.995 8.384 442 HG23 THR 71 2HG2 THR 71 16.908 6.411 9.839 443 HA PRO 72 HA PRO 72 15.584 3.200 4.670 444 HB3 PRO 72 2HB PRO 72 17.274 1.729 3.947 445 HG3 PRO 72 2HG PRO 72 19.219 1.391 5.244 446 HD3 PRO 72 2HD PRO 72 19.059 3.721 4.884 447 H TYR 73 H TYR 73 13.797 2.034 5.537 448 HA TYR 73 HA TYR 73 13.760 1.077 8.280 449 HB3 TYR 73 2HB TYR 73 13.394 3.354 8.855 450 HD1 TYR 73 2HD TYR 73 10.213 2.879 6.894 451 HD2 TYR 73 1HD TYR 73 13.744 5.277 7.509 452 HE1 TYR 73 2HE TYR 73 9.367 4.577 5.296 453 HE2 TYR 73 1HE TYR 73 12.923 6.939 5.890 454 HH TYR 73 HH TYR 73 11.009 7.641 4.611 455 H TYR 74 H TYR 74 11.330 0.401 8.776 456 HA TYR 74 HA TYR 74 10.088 -0.651 6.283 457 HB3 TYR 74 2HB TYR 74 9.261 -2.547 7.600 458 HD1 TYR 74 1HD TYR 74 12.681 -1.938 8.944 459 HD2 TYR 74 2HD TYR 74 10.351 -3.908 5.886 460 HE1 TYR 74 1HE TYR 74 14.669 -3.156 8.234 461 HE2 TYR 74 2HE TYR 74 12.356 -5.205 5.183 462 HH TYR 74 HH TYR 74 15.489 -4.859 6.962 463 H LEU 75 H LEU 75 8.032 0.002 6.011 464 HA LEU 75 HA LEU 75 6.648 1.448 8.211 465 HB3 LEU 75 2HB LEU 75 5.138 2.237 6.420 466 HG LEU 75 HG LEU 75 8.016 2.777 5.606 467 HD11 LEU 75 1HD1 LEU 75 5.449 4.417 5.411 468 HD12 LEU 75 2HD1 LEU 75 6.313 3.621 4.076 469 HD13 LEU 75 3HD1 LEU 75 7.066 4.962 4.929 470 HD21 LEU 75 3HD2 LEU 75 6.400 3.903 7.916 471 HD22 LEU 75 1HD2 LEU 75 7.776 4.789 7.204 472 HD23 LEU 75 2HD2 LEU 75 8.028 3.217 7.964 473 H ASP 76 H ASP 76 5.306 0.320 9.346 474 HA ASP 76 HA ASP 76 4.163 -2.215 8.658 475 HB3 ASP 76 2HB ASP 76 2.699 -1.777 10.609 476 H CYS 77 H CYS 77 2.619 -2.460 7.062 477 HA CYS 77 HA CYS 77 0.263 -0.850 7.452 478 HB3 CYS 77 2HB CYS 77 0.979 0.380 5.551 479 HG CYS 77 HG CYS 77 1.863 -0.303 3.285 480 H LYS 78 H LYS 78 -1.556 -1.830 6.762 481 HA LYS 78 HA LYS 78 -1.382 -4.733 6.031 482 HB3 LYS 78 2HB LYS 78 -3.674 -4.907 7.069 483 HG3 LYS 78 2HG LYS 78 -1.106 -4.592 8.493 484 HD3 LYS 78 2HD LYS 78 -3.665 -4.575 10.141 485 HE3 LYS 78 2HE LYS 78 -0.700 -5.002 10.604 486 HZ1 LYS 78 3HZ LYS 78 -2.556 -4.308 12.773 487 HZ2 LYS 78 1HZ LYS 78 -1.330 -3.351 12.186 488 HZ3 LYS 78 2HZ LYS 78 -1.004 -4.806 12.898 489 H ILE 79 H ILE 79 -3.219 -5.473 4.599 490 HA ILE 79 HA ILE 79 -4.603 -3.368 3.121 491 HB ILE 79 HB ILE 79 -2.118 -3.684 2.342 492 HG13 ILE 79 2HG1 ILE 79 -4.005 -2.512 1.111 493 HG21 ILE 79 1HG2 ILE 79 -1.680 -5.536 0.775 494 HG22 ILE 79 2HG2 ILE 79 -2.131 -6.171 2.360 495 HG23 ILE 79 3HG2 ILE 79 -3.296 -6.174 1.024 496 HD11 ILE 79 3HD1 ILE 79 -2.635 -2.365 -0.954 497 HD12 ILE 79 1HD1 ILE 79 -1.702 -2.144 0.536 498 HD13 ILE 79 2HD1 ILE 79 -1.615 -3.670 -0.369 499 H SER 80 H SER 80 -6.318 -4.350 1.892 500 HA SER 80 HA SER 80 -6.712 -7.318 2.187 501 HB3 SER 80 2HB SER 80 -8.031 -6.256 3.883 502 HG SER 80 HG SER 80 -9.699 -4.873 3.306 503 H GLY 81 H GLY 81 -6.702 -4.718 0.047 504 HA2 GLY 81 1HA GLY 81 -7.120 -5.703 -2.452 505 HA3 GLY 81 2HA GLY 81 -8.760 -5.598 -1.789 506 H THR 82 H THR 82 -9.627 -3.508 -1.214 507 HA THR 82 HA THR 82 -8.224 -1.362 -2.648 508 HB THR 82 HB THR 82 -10.677 -0.478 -2.678 509 HG1 THR 82 1HG THR 82 -12.122 -1.745 -1.979 510 HG21 THR 82 3HG2 THR 82 -9.941 -3.009 -4.210 511 HG22 THR 82 1HG2 THR 82 -9.354 -1.387 -4.612 512 HG23 THR 82 2HG2 THR 82 -11.091 -1.738 -4.700 513 H THR 83 H THR 83 -8.494 -2.002 0.610 514 HA THR 83 HA THR 83 -8.527 0.890 1.370 515 HB THR 83 HB THR 83 -8.967 -1.624 3.001 516 HG1 THR 83 1HG THR 83 -10.996 -1.303 2.851 517 HG21 THR 83 3HG2 THR 83 -8.079 0.280 4.381 518 HG22 THR 83 1HG2 THR 83 -9.700 -0.203 4.831 519 HG23 THR 83 2HG2 THR 83 -9.454 1.275 3.851 520 H LEU 84 H LEU 84 -6.348 1.626 1.603 521 HA LEU 84 HA LEU 84 -4.256 -0.290 2.489 522 HB3 LEU 84 2HB LEU 84 -3.669 2.630 2.595 523 HG LEU 84 HG LEU 84 -2.297 0.421 1.042 524 HD11 LEU 84 1HD1 LEU 84 -1.289 3.137 1.912 525 HD12 LEU 84 2HD1 LEU 84 -1.796 2.682 0.280 526 HD13 LEU 84 3HD1 LEU 84 -0.386 1.896 0.993 527 HD21 LEU 84 3HD2 LEU 84 -1.837 1.094 3.892 528 HD22 LEU 84 1HD2 LEU 84 -0.583 0.388 2.845 529 HD23 LEU 84 2HD2 LEU 84 -2.087 -0.475 3.118 530 H LYS 85 H LYS 85 -3.828 -0.561 4.664 531 HA LYS 85 HA LYS 85 -4.576 1.722 6.460 532 HB3 LYS 85 2HB LYS 85 -4.461 -1.263 7.117 533 HG3 LYS 85 2HG LYS 85 -4.599 1.202 8.824 534 HD3 LYS 85 2HD LYS 85 -6.131 -1.328 9.539 535 HE3 LYS 85 2HE LYS 85 -5.790 1.408 10.848 536 HZ1 LYS 85 3HZ LYS 85 -7.201 0.604 12.543 537 HZ2 LYS 85 1HZ LYS 85 -7.411 -0.852 11.831 538 HZ3 LYS 85 2HZ LYS 85 -8.045 0.483 11.127 539 H VAL 86 H VAL 86 -2.613 2.805 6.080 540 HA VAL 86 HA VAL 86 -0.104 1.444 6.847 541 HB VAL 86 HB VAL 86 -0.573 4.360 6.155 542 HG11 VAL 86 1HG1 VAL 86 1.893 4.387 5.782 543 HG12 VAL 86 2HG1 VAL 86 1.492 3.947 7.433 544 HG13 VAL 86 3HG1 VAL 86 1.995 2.685 6.307 545 HG21 VAL 86 3HG2 VAL 86 0.522 3.776 3.978 546 HG22 VAL 86 1HG2 VAL 86 0.317 2.058 4.355 547 HG23 VAL 86 2HG2 VAL 86 -1.100 3.122 4.163 548 H GLU 87 H GLU 87 0.709 1.458 8.794 549 HA GLU 87 HA GLU 87 -0.844 2.744 10.952 550 HB3 GLU 87 2HB GLU 87 0.177 0.989 12.324 551 HG3 GLU 87 2HG GLU 87 -0.654 -0.234 9.648 552 H THR 88 H THR 88 2.267 3.076 9.433 553 HA THR 88 HA THR 88 3.104 5.137 11.328 554 HB THR 88 HB THR 88 3.825 3.032 12.382 555 HG1 THR 88 1HG THR 88 5.251 5.023 12.392 556 HG21 THR 88 3HG2 THR 88 4.154 1.760 10.239 557 HG22 THR 88 1HG2 THR 88 5.486 1.595 11.403 558 HG23 THR 88 2HG2 THR 88 5.656 2.658 9.988 559 H GLY 89 H GLY 89 5.333 6.044 10.511 560 HA2 GLY 89 1HA GLY 89 6.702 6.661 8.702 561 HA3 GLY 89 2HA GLY 89 5.573 5.903 7.570 562 H SER 90 H SER 90 6.288 8.234 6.803 563 HA SER 90 HA SER 90 4.822 10.441 7.696 564 HB3 SER 90 2HB SER 90 5.382 11.259 5.427 565 HG SER 90 HG SER 90 7.442 11.414 5.876 566 H GLU 91 H GLU 91 3.809 7.747 5.812 567 HA GLU 91 HA GLU 91 1.314 9.157 5.219 568 HB3 GLU 91 2HB GLU 91 1.132 6.948 3.647 569 HG3 GLU 91 2HG GLU 91 2.139 8.531 1.952 570 H ALA 92 H ALA 92 1.849 7.848 7.838 571 HA ALA 92 HA ALA 92 0.155 5.623 8.242 572 HB1 ALA 92 1HB ALA 92 1.830 6.535 9.852 573 HB2 ALA 92 2HB ALA 92 0.747 7.894 10.180 574 HB3 ALA 92 3HB ALA 92 0.246 6.236 10.585 575 H GLY 93 H GLY 93 -1.869 5.495 7.630 576 HA2 GLY 93 1HA GLY 93 -4.038 6.731 8.831 577 HA3 GLY 93 2HA GLY 93 -3.766 7.710 7.387 578 H THR 94 H THR 94 -5.828 7.090 6.557 579 HA THR 94 HA THR 94 -6.105 4.254 5.696 580 HB THR 94 HB THR 94 -7.681 4.600 7.397 581 HG1 THR 94 1HG THR 94 -9.507 4.236 6.289 582 HG21 THR 94 3HG2 THR 94 -9.331 6.452 7.426 583 HG22 THR 94 1HG2 THR 94 -8.433 7.262 6.135 584 HG23 THR 94 2HG2 THR 94 -7.676 6.982 7.722 585 H TYR 95 H TYR 95 -6.245 3.891 3.577 586 HA TYR 95 HA TYR 95 -6.926 6.190 1.801 587 HB3 TYR 95 2HB TYR 95 -5.114 5.709 0.323 588 HD1 TYR 95 2HD TYR 95 -3.902 5.182 3.910 589 HD2 TYR 95 1HD TYR 95 -4.088 7.771 0.466 590 HE1 TYR 95 2HE TYR 95 -2.890 7.029 5.216 591 HE2 TYR 95 1HE TYR 95 -3.046 9.578 1.781 592 HH TYR 95 HH TYR 95 -1.628 9.715 4.079 593 H LYS 96 H LYS 96 -7.651 5.647 -0.298 594 HA LYS 96 HA LYS 96 -8.841 2.916 -0.581 595 HB3 LYS 96 2HB LYS 96 -10.092 4.347 -2.485 596 HG3 LYS 96 2HG LYS 96 -11.633 5.311 -0.514 597 HD3 LYS 96 2HD LYS 96 -11.505 2.305 -1.026 598 HE3 LYS 96 2HE LYS 96 -14.073 2.791 -0.994 599 HZ1 LYS 96 3HZ LYS 96 -14.107 2.880 1.486 600 HZ2 LYS 96 1HZ LYS 96 -12.476 2.826 1.487 601 HZ3 LYS 96 2HZ LYS 96 -13.397 1.600 0.831 602 H LYS 97 H LYS 97 -8.008 1.696 -2.325 603 HA LYS 97 HA LYS 97 -5.882 2.464 -4.016 604 HB3 LYS 97 2HB LYS 97 -8.179 0.521 -4.463 605 HG3 LYS 97 2HG LYS 97 -5.724 1.013 -6.151 606 HD3 LYS 97 2HD LYS 97 -7.065 -1.272 -7.130 607 HE3 LYS 97 2HE LYS 97 -4.440 -1.498 -5.636 608 HZ1 LYS 97 3HZ LYS 97 -5.249 -3.358 -7.115 609 HZ2 LYS 97 1HZ LYS 97 -3.806 -2.678 -7.584 610 HZ3 LYS 97 2HZ LYS 97 -5.180 -2.284 -8.376 611 H GLN 98 H GLN 98 -5.808 3.266 -6.164 612 HA GLN 98 HA GLN 98 -8.237 4.252 -7.452 613 HB3 GLN 98 2HB GLN 98 -6.763 6.277 -8.164 614 HG3 GLN 98 2HG GLN 98 -7.259 7.697 -6.256 615 HE21 GLN 98 1HE2 GLN 98 -9.882 7.460 -5.093 616 HE22 GLN 98 2HE2 GLN 98 -10.996 7.250 -6.425 617 H LYS 99 H LYS 99 -7.943 4.376 -9.693 618 HA LYS 99 HA LYS 99 -7.425 3.413 -11.655 619 HB3 LYS 99 2HB LYS 99 -5.054 3.715 -12.433 620 HG3 LYS 99 2HG LYS 99 -6.307 6.209 -11.216 621 HD3 LYS 99 2HD LYS 99 -4.272 5.616 -13.401 622 HE3 LYS 99 2HE LYS 99 -5.377 8.374 -12.802 623 HZ1 LYS 99 3HZ LYS 99 -3.955 7.237 -15.134 624 HZ2 LYS 99 1HZ LYS 99 -3.233 8.140 -13.971 625 HZ3 LYS 99 2HZ LYS 99 -4.386 8.817 -14.929 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -9.168 -5.368 18.064 2 HA2 GLY 1 1HA GLY 1 -9.296 -7.099 16.296 3 HA3 GLY 1 2HA GLY 1 -10.850 -6.294 16.598 4 H GLU 2 H GLU 2 -8.728 -7.203 14.123 5 HA GLU 2 HA GLU 2 -10.400 -6.386 12.113 6 HB3 GLU 2 2HB GLU 2 -8.158 -4.947 11.170 7 HG3 GLU 2 2HG GLU 2 -9.713 -2.925 11.426 8 H ASP 3 H ASP 3 -9.702 -7.274 10.144 9 HA ASP 3 HA ASP 3 -7.566 -9.321 10.411 10 HB3 ASP 3 2HB ASP 3 -9.091 -10.988 9.487 11 H TRP 4 H TRP 4 -6.359 -8.618 8.967 12 HA TRP 4 HA TRP 4 -7.269 -7.523 6.358 13 HB3 TRP 4 2HB TRP 4 -4.863 -6.671 6.419 14 HD1 TRP 4 HD TRP 4 -6.089 -5.898 9.953 15 HE1 TRP 4 1HE TRP 4 -6.896 -3.442 9.969 16 HE3 TRP 4 3HE TRP 4 -6.284 -5.116 5.010 17 HZ2 TRP 4 2HZ TRP 4 -7.446 -1.327 7.910 18 HZ3 TRP 4 3HZ TRP 4 -6.720 -2.854 4.031 19 HH2 TRP 4 HH TRP 4 -7.221 -0.953 5.564 20 H THR 5 H THR 5 -5.138 -7.828 4.705 21 HA THR 5 HA THR 5 -4.569 -10.737 4.583 22 HB THR 5 HB THR 5 -4.250 -10.501 2.165 23 HG1 THR 5 1HG THR 5 -4.879 -7.843 2.641 24 HG21 THR 5 3HG2 THR 5 -6.419 -11.271 2.932 25 HG22 THR 5 1HG2 THR 5 -6.523 -10.342 1.426 26 HG23 THR 5 2HG2 THR 5 -7.023 -9.601 2.964 27 H GLU 6 H GLU 6 -2.553 -11.279 3.822 28 HA GLU 6 HA GLU 6 -0.285 -10.045 4.778 29 HB3 GLU 6 2HB GLU 6 0.693 -11.432 2.668 30 HG3 GLU 6 2HG GLU 6 1.106 -12.030 4.972 31 H LEU 7 H LEU 7 0.928 -8.391 4.178 32 HA LEU 7 HA LEU 7 0.237 -6.810 1.805 33 HB3 LEU 7 2HB LEU 7 2.465 -6.522 3.748 34 HG LEU 7 HG LEU 7 2.462 -5.024 1.657 35 HD11 LEU 7 1HD1 LEU 7 0.152 -3.783 3.208 36 HD12 LEU 7 2HD1 LEU 7 0.069 -4.507 1.578 37 HD13 LEU 7 3HD1 LEU 7 0.995 -3.019 1.837 38 HD21 LEU 7 3HD2 LEU 7 2.403 -3.836 4.466 39 HD22 LEU 7 1HD2 LEU 7 3.014 -2.993 3.016 40 HD23 LEU 7 2HD2 LEU 7 3.795 -4.485 3.570 41 H ASN 8 H ASN 8 0.801 -7.977 0.194 42 HA ASN 8 HA ASN 8 3.550 -9.100 -0.248 43 HB3 ASN 8 2HB ASN 8 2.696 -10.158 -2.261 44 HD21 ASN 8 1HD2 ASN 8 -0.099 -10.133 0.113 45 HD22 ASN 8 2HD2 ASN 8 0.070 -11.854 0.370 46 H SER 9 H SER 9 4.524 -8.532 -2.351 47 HA SER 9 HA SER 9 4.559 -5.827 -3.087 48 HB3 SER 9 2HB SER 9 5.141 -7.571 -5.337 49 HG SER 9 HG SER 9 7.036 -6.596 -5.195 50 H ASN 10 H ASN 10 2.655 -8.562 -4.451 51 HA ASN 10 HA ASN 10 1.720 -6.861 -6.578 52 HB3 ASN 10 2HB ASN 10 0.243 -9.396 -5.965 53 HD21 ASN 10 1HD2 ASN 10 2.580 -8.044 -8.346 54 HD22 ASN 10 2HD2 ASN 10 1.540 -8.200 -9.737 55 H ASN 11 H ASN 11 0.512 -7.399 -3.320 56 HA ASN 11 HA ASN 11 -2.189 -6.624 -3.829 57 HB3 ASN 11 2HB ASN 11 -2.198 -6.218 -1.409 58 HD21 ASN 11 1HD2 ASN 11 -2.416 -7.829 0.120 59 HD22 ASN 11 2HD2 ASN 11 -2.619 -9.501 -0.289 60 H ILE 12 H ILE 12 0.844 -4.846 -2.933 61 HA ILE 12 HA ILE 12 -0.637 -2.469 -2.245 62 HB ILE 12 HB ILE 12 1.275 -3.133 -1.009 63 HG13 ILE 12 2HG1 ILE 12 1.816 -0.484 -2.392 64 HG21 ILE 12 1HG2 ILE 12 2.904 -2.726 -3.544 65 HG22 ILE 12 2HG2 ILE 12 3.605 -2.920 -1.922 66 HG23 ILE 12 3HG2 ILE 12 2.673 -4.226 -2.617 67 HD11 ILE 12 3HD1 ILE 12 0.554 -1.228 0.279 68 HD12 ILE 12 1HD1 ILE 12 0.939 0.422 -0.247 69 HD13 ILE 12 2HD1 ILE 12 -0.317 -0.503 -1.103 70 H ILE 13 H ILE 13 0.507 -3.596 -5.242 71 HA ILE 13 HA ILE 13 1.083 -1.361 -6.693 72 HB ILE 13 HB ILE 13 -0.686 -3.662 -7.623 73 HG13 ILE 13 2HG1 ILE 13 1.456 -4.729 -8.367 74 HG21 ILE 13 1HG2 ILE 13 1.103 -1.745 -9.152 75 HG22 ILE 13 2HG2 ILE 13 0.434 -3.263 -9.830 76 HG23 ILE 13 3HG2 ILE 13 -0.658 -1.983 -9.323 77 HD11 ILE 13 3HD1 ILE 13 2.955 -2.689 -8.147 78 HD12 ILE 13 1HD1 ILE 13 2.824 -2.842 -6.384 79 HD13 ILE 13 2HD1 ILE 13 3.543 -4.150 -7.318 80 H GLY 14 H GLY 14 0.145 0.350 -7.546 81 HA2 GLY 14 1HA GLY 14 -1.864 1.054 -8.856 82 HA3 GLY 14 2HA GLY 14 -2.818 0.734 -7.399 83 H TYR 15 H TYR 15 -3.229 3.117 -8.079 84 HA TYR 15 HA TYR 15 -1.394 4.999 -6.674 85 HB3 TYR 15 2HB TYR 15 -3.487 6.491 -7.362 86 HD1 TYR 15 1HD TYR 15 -0.756 4.743 -9.356 87 HD2 TYR 15 2HD TYR 15 -2.946 8.365 -8.512 88 HE1 TYR 15 1HE TYR 15 0.856 6.042 -10.700 89 HE2 TYR 15 2HE TYR 15 -1.341 9.663 -9.858 90 HH TYR 15 HH TYR 15 0.711 9.611 -10.917 91 H TRP 16 H TRP 16 -2.533 6.386 -5.016 92 HA TRP 16 HA TRP 16 -4.825 5.067 -3.669 93 HB3 TRP 16 2HB TRP 16 -3.529 5.127 -1.540 94 HD1 TRP 16 HD TRP 16 -0.769 3.881 -3.839 95 HE1 TRP 16 1HE TRP 16 -0.731 1.303 -3.945 96 HE3 TRP 16 3HE TRP 16 -5.037 2.860 -1.197 97 HZ2 TRP 16 2HZ TRP 16 -2.295 -0.878 -2.991 98 HZ3 TRP 16 3HZ TRP 16 -5.769 0.436 -0.891 99 HH2 TRP 16 HH TRP 16 -4.426 -1.334 -1.793 100 H SER 17 H SER 17 -6.191 6.760 -2.658 101 HA SER 17 HA SER 17 -4.773 9.199 -1.934 102 HB3 SER 17 2HB SER 17 -7.349 9.434 -3.515 103 HG SER 17 HG SER 17 -6.424 11.634 -3.598 104 H THR 18 H THR 18 -6.313 10.593 -0.699 105 HA THR 18 HA THR 18 -8.041 9.043 1.167 106 HB THR 18 HB THR 18 -5.665 9.134 1.870 107 HG1 THR 18 1HG THR 18 -6.589 8.720 3.561 108 HG21 THR 18 3HG2 THR 18 -6.141 12.083 2.424 109 HG22 THR 18 1HG2 THR 18 -5.045 11.421 1.184 110 HG23 THR 18 2HG2 THR 18 -4.721 11.134 2.897 111 H GLY 19 H GLY 19 -7.971 11.624 -0.956 112 HA2 GLY 19 1HA GLY 19 -10.418 12.630 -0.397 113 HA3 GLY 19 2HA GLY 19 -9.341 13.620 0.608 114 H ILE 20 H ILE 20 -10.583 15.029 -1.213 115 HA ILE 20 HA ILE 20 -8.502 15.711 -3.226 116 HB ILE 20 HB ILE 20 -10.243 16.274 -4.820 117 HG13 ILE 20 2HG1 ILE 20 -12.100 16.840 -3.302 118 HG21 ILE 20 1HG2 ILE 20 -10.594 13.402 -3.855 119 HG22 ILE 20 2HG2 ILE 20 -10.810 14.029 -5.494 120 HG23 ILE 20 3HG2 ILE 20 -9.206 14.019 -4.794 121 HD11 ILE 20 3HD1 ILE 20 -12.705 16.127 -5.627 122 HD12 ILE 20 1HD1 ILE 20 -12.978 14.480 -4.992 123 HD13 ILE 20 2HD1 ILE 20 -13.968 15.817 -4.415 124 H GLU 21 H GLU 21 -9.005 16.627 -0.444 125 HA GLU 21 HA GLU 21 -9.539 19.497 -0.871 126 HB3 GLU 21 2HB GLU 21 -11.136 19.558 0.954 127 HG3 GLU 21 2HG GLU 21 -12.034 17.244 -0.766 128 H GLY 22 H GLY 22 -9.338 20.514 1.486 129 HA2 GLY 22 1HA GLY 22 -8.320 20.783 3.493 130 HA3 GLY 22 2HA GLY 22 -8.344 19.000 3.490 131 H THR 23 H THR 23 -6.367 18.152 3.915 132 HA THR 23 HA THR 23 -4.197 18.988 2.160 133 HB THR 23 HB THR 23 -3.668 18.355 5.083 134 HG1 THR 23 1HG THR 23 -4.274 20.364 5.244 135 HG21 THR 23 3HG2 THR 23 -1.868 17.694 3.490 136 HG22 THR 23 1HG2 THR 23 -1.364 19.055 4.514 137 HG23 THR 23 2HG2 THR 23 -1.849 19.344 2.826 138 H HIS 24 H HIS 24 -4.292 17.155 0.830 139 HA HIS 24 HA HIS 24 -4.616 14.536 2.173 140 HB3 HIS 24 2HB HIS 24 -6.667 15.208 0.928 141 HD1 HIS 24 1HD HIS 24 -6.682 17.326 -0.744 142 HD2 HIS 24 2HD HIS 24 -4.611 13.908 -2.057 143 HE1 HIS 24 1HE HIS 24 -6.206 17.653 -3.269 144 H LYS 25 H LYS 25 -3.804 12.775 0.475 145 HA LYS 25 HA LYS 25 -1.038 13.606 -0.243 146 HB3 LYS 25 2HB LYS 25 -0.188 11.962 1.247 147 HG3 LYS 25 2HG LYS 25 -0.994 12.532 3.504 148 HD3 LYS 25 2HD LYS 25 -1.077 15.236 2.513 149 HE3 LYS 25 2HE LYS 25 -0.171 14.420 4.727 150 HZ1 LYS 25 3HZ LYS 25 2.204 13.676 3.138 151 HZ2 LYS 25 1HZ LYS 25 1.151 12.606 3.848 152 HZ3 LYS 25 2HZ LYS 25 2.015 13.616 4.782 153 H LEU 26 H LEU 26 -0.030 12.147 -1.673 154 HA LEU 26 HA LEU 26 -1.878 10.186 -2.951 155 HB3 LEU 26 2HB LEU 26 -0.173 11.986 -4.658 156 HG LEU 26 HG LEU 26 -1.875 11.775 -6.270 157 HD11 LEU 26 1HD1 LEU 26 -1.789 9.024 -5.014 158 HD12 LEU 26 2HD1 LEU 26 -0.545 9.712 -6.087 159 HD13 LEU 26 3HD1 LEU 26 -2.191 9.436 -6.675 160 HD21 LEU 26 3HD2 LEU 26 -3.680 10.608 -4.126 161 HD22 LEU 26 1HD2 LEU 26 -4.091 10.776 -5.845 162 HD23 LEU 26 2HD2 LEU 26 -3.803 12.217 -4.857 163 H LEU 27 H LEU 27 -0.827 8.291 -2.473 164 HA LEU 27 HA LEU 27 2.045 8.009 -3.129 165 HB3 LEU 27 2HB LEU 27 1.679 5.676 -2.282 166 HG LEU 27 HG LEU 27 1.197 8.035 -0.487 167 HD11 LEU 27 1HD1 LEU 27 0.957 5.158 0.375 168 HD12 LEU 27 2HD1 LEU 27 -0.315 6.417 0.407 169 HD13 LEU 27 3HD1 LEU 27 1.105 6.579 1.448 170 HD21 LEU 27 3HD2 LEU 27 3.216 7.178 0.677 171 HD22 LEU 27 1HD2 LEU 27 3.515 7.536 -1.036 172 HD23 LEU 27 2HD2 LEU 27 3.306 5.853 -0.508 173 H SER 28 H SER 28 2.710 6.380 -4.630 174 HA SER 28 HA SER 28 0.686 5.083 -6.347 175 HB3 SER 28 2HB SER 28 0.949 7.025 -7.627 176 HG SER 28 HG SER 28 2.677 8.076 -6.693 177 H PHE 29 H PHE 29 1.343 2.924 -6.670 178 HA PHE 29 HA PHE 29 4.235 2.317 -6.239 179 HB3 PHE 29 2HB PHE 29 3.392 0.183 -5.221 180 HD1 PHE 29 2HD PHE 29 5.245 1.313 -3.978 181 HD2 PHE 29 1HD PHE 29 1.146 2.472 -3.464 182 HE1 PHE 29 2HE PHE 29 5.839 2.434 -1.865 183 HE2 PHE 29 1HE PHE 29 1.750 3.655 -1.330 184 HZ PHE 29 HZ PHE 29 4.077 3.555 -0.509 185 H ASP 30 H ASP 30 5.136 1.534 -8.026 186 HA ASP 30 HA ASP 30 3.422 0.298 -10.106 187 HB3 ASP 30 2HB ASP 30 5.799 0.227 -11.201 188 H GLU 31 H GLU 31 4.017 -1.726 -11.006 189 HA GLU 31 HA GLU 31 4.857 -3.554 -8.912 190 HB3 GLU 31 2HB GLU 31 2.874 -3.891 -10.375 191 HG3 GLU 31 2HG GLU 31 4.966 -4.460 -12.499 192 H ASP 32 H ASP 32 6.480 -2.167 -11.635 193 HA ASP 32 HA ASP 32 8.794 -3.923 -10.955 194 HB3 ASP 32 2HB ASP 32 8.158 -3.149 -13.765 195 H GLY 33 H GLY 33 7.680 -0.899 -10.855 196 HA2 GLY 33 1HA GLY 33 10.338 0.392 -11.351 197 HA3 GLY 33 2HA GLY 33 8.784 1.235 -11.337 198 H THR 34 H THR 34 8.560 2.394 -9.532 199 HA THR 34 HA THR 34 9.743 1.535 -6.938 200 HB THR 34 HB THR 34 10.389 4.017 -6.874 201 HG1 THR 34 1HG THR 34 10.490 4.980 -8.959 202 HG21 THR 34 3HG2 THR 34 12.005 2.169 -7.503 203 HG22 THR 34 1HG2 THR 34 12.380 3.756 -8.181 204 HG23 THR 34 2HG2 THR 34 11.648 2.510 -9.205 205 H GLY 35 H GLY 35 8.903 3.710 -5.406 206 HA2 GLY 35 1HA GLY 35 6.017 3.984 -5.909 207 HA3 GLY 35 2HA GLY 35 6.625 3.806 -4.286 208 H SER 36 H SER 36 5.184 6.105 -4.882 209 HA SER 36 HA SER 36 7.227 8.204 -4.634 210 HB3 SER 36 2HB SER 36 6.128 9.716 -6.191 211 HG SER 36 HG SER 36 6.741 7.242 -7.484 212 H PHE 37 H PHE 37 6.138 10.312 -3.995 213 HA PHE 37 HA PHE 37 3.633 9.969 -2.452 214 HB3 PHE 37 2HB PHE 37 6.394 10.402 -1.300 215 HD1 PHE 37 1HD PHE 37 2.804 10.404 0.057 216 HD2 PHE 37 2HD PHE 37 6.900 11.711 0.444 217 HE1 PHE 37 1HE PHE 37 2.274 11.697 2.115 218 HE2 PHE 37 2HE PHE 37 6.365 12.863 2.527 219 HZ PHE 37 HZ PHE 37 4.061 12.846 3.392 220 H GLY 38 H GLY 38 2.513 11.872 -2.534 221 HA2 GLY 38 1HA GLY 38 3.992 14.425 -2.827 222 HA3 GLY 38 2HA GLY 38 2.615 14.080 -3.887 223 H ILE 39 H ILE 39 2.569 16.232 -2.264 224 HA ILE 39 HA ILE 39 0.613 15.606 -0.092 225 HB ILE 39 HB ILE 39 2.955 17.544 0.183 226 HG13 ILE 39 2HG1 ILE 39 3.767 15.239 0.379 227 HG21 ILE 39 1HG2 ILE 39 0.815 16.845 2.208 228 HG22 ILE 39 2HG2 ILE 39 2.174 17.990 2.401 229 HG23 ILE 39 3HG2 ILE 39 0.890 18.336 1.264 230 HD11 ILE 39 3HD1 ILE 39 3.483 16.259 3.216 231 HD12 ILE 39 1HD1 ILE 39 4.743 15.221 2.539 232 HD13 ILE 39 2HD1 ILE 39 4.647 16.920 2.035 233 H TYR 40 H TYR 40 -1.194 16.763 -0.502 234 HA TYR 40 HA TYR 40 -1.029 19.039 -2.395 235 HB3 TYR 40 2HB TYR 40 -3.395 18.263 -2.898 236 HD1 TYR 40 1HD TYR 40 -0.972 15.355 -2.728 237 HD2 TYR 40 2HD TYR 40 -2.940 18.312 -5.155 238 HE1 TYR 40 1HE TYR 40 -0.041 14.306 -4.759 239 HE2 TYR 40 2HE TYR 40 -2.118 17.195 -7.205 240 HH TYR 40 HH TYR 40 0.144 14.453 -7.097 241 H SER 41 H SER 41 -2.012 20.883 -1.765 242 HA SER 41 HA SER 41 -3.643 20.976 0.737 243 HB3 SER 41 2HB SER 41 -3.293 23.544 0.159 244 HG SER 41 HG SER 41 -2.566 22.551 2.007 245 H ASN 42 H ASN 42 -5.736 20.929 0.305 246 HA ASN 42 HA ASN 42 -7.659 20.717 -0.800 247 HB3 ASN 42 2HB ASN 42 -8.315 22.978 -1.990 248 HD21 ASN 42 1HD2 ASN 42 -10.069 22.113 -0.778 249 HD22 ASN 42 2HD2 ASN 42 -10.258 22.494 0.936 250 H ALA 43 H ALA 43 -6.301 22.640 -3.493 251 HA ALA 43 HA ALA 43 -6.097 20.221 -5.125 252 HB1 ALA 43 1HB ALA 43 -7.387 21.168 -6.993 253 HB2 ALA 43 2HB ALA 43 -8.417 20.905 -5.571 254 HB3 ALA 43 3HB ALA 43 -7.871 22.536 -5.975 255 H THR 44 H THR 44 -4.030 21.386 -4.045 256 HA THR 44 HA THR 44 -2.628 22.420 -6.398 257 HB THR 44 HB THR 44 -2.171 23.512 -3.582 258 HG1 THR 44 1HG THR 44 -3.165 25.334 -4.143 259 HG21 THR 44 3HG2 THR 44 -0.273 23.630 -5.223 260 HG22 THR 44 1HG2 THR 44 -0.858 25.220 -4.761 261 HG23 THR 44 2HG2 THR 44 -1.309 24.534 -6.340 262 HA PRO 45 HA PRO 45 0.076 19.131 -4.525 263 HB3 PRO 45 2HB PRO 45 0.404 18.240 -6.653 264 HG3 PRO 45 2HG PRO 45 0.328 19.603 -8.591 265 HD3 PRO 45 2HD PRO 45 -1.684 20.113 -7.504 266 H ILE 46 H ILE 46 1.745 19.571 -3.126 267 HA ILE 46 HA ILE 46 3.327 22.086 -3.495 268 HB ILE 46 HB ILE 46 2.468 21.000 -0.801 269 HG13 ILE 46 2HG1 ILE 46 0.684 22.541 -0.563 270 HG21 ILE 46 1HG2 ILE 46 4.314 22.520 -0.611 271 HG22 ILE 46 2HG2 ILE 46 3.581 23.678 -1.727 272 HG23 ILE 46 3HG2 ILE 46 2.870 23.427 -0.125 273 HD11 ILE 46 3HD1 ILE 46 -0.246 23.872 -2.434 274 HD12 ILE 46 1HD1 ILE 46 1.305 24.486 -1.861 275 HD13 ILE 46 2HD1 ILE 46 1.231 23.561 -3.372 276 H SER 47 H SER 47 3.487 18.639 -3.068 277 HA SER 47 HA SER 47 6.411 18.860 -2.526 278 HB3 SER 47 2HB SER 47 4.509 16.990 -1.101 279 HG SER 47 HG SER 47 7.192 17.281 -0.376 280 H PHE 48 H PHE 48 7.401 16.739 -2.878 281 HA PHE 48 HA PHE 48 6.150 14.801 -4.505 282 HB3 PHE 48 2HB PHE 48 8.316 16.278 -6.075 283 HD1 PHE 48 2HD PHE 48 4.800 15.291 -6.744 284 HD2 PHE 48 1HD PHE 48 8.943 14.514 -7.622 285 HE1 PHE 48 2HE PHE 48 4.118 13.794 -8.634 286 HE2 PHE 48 1HE PHE 48 8.270 13.015 -9.476 287 HZ PHE 48 HZ PHE 48 5.856 12.674 -9.990 288 H GLN 49 H GLN 49 7.529 12.896 -4.594 289 HA GLN 49 HA GLN 49 10.350 13.027 -4.655 290 HB3 GLN 49 2HB GLN 49 10.303 13.423 -2.253 291 HG3 GLN 49 2HG GLN 49 8.466 11.001 -2.085 292 HE21 GLN 49 1HE2 GLN 49 10.108 9.947 -0.647 293 HE22 GLN 49 2HE2 GLN 49 10.212 10.602 0.983 294 H MET 50 H MET 50 11.208 10.719 -4.633 295 HA MET 50 HA MET 50 9.199 8.627 -5.169 296 HB3 MET 50 2HB MET 50 10.387 7.986 -7.214 297 HG3 MET 50 2HG MET 50 10.175 10.607 -7.664 298 HE1 MET 50 3HE MET 50 11.449 10.588 -9.776 299 HE2 MET 50 1HE MET 50 11.918 8.946 -9.291 300 HE3 MET 50 2HE MET 50 11.373 9.267 -10.957 301 H PHE 51 H PHE 51 10.262 6.453 -4.993 302 HA PHE 51 HA PHE 51 12.793 6.206 -3.656 303 HB3 PHE 51 2HB PHE 51 11.724 6.940 -1.687 304 HD1 PHE 51 1HD PHE 51 9.716 8.289 -2.118 305 HD2 PHE 51 2HD PHE 51 9.498 4.015 -1.688 306 HE1 PHE 51 1HE PHE 51 7.265 8.441 -1.901 307 HE2 PHE 51 2HE PHE 51 7.033 4.182 -1.380 308 HZ PHE 51 HZ PHE 51 5.897 6.386 -1.547 309 H ASP 52 H ASP 52 13.467 4.064 -3.802 310 HA ASP 52 HA ASP 52 11.759 2.063 -5.132 311 HB3 ASP 52 2HB ASP 52 13.646 0.530 -4.113 312 H TYR 53 H TYR 53 11.250 -0.019 -3.936 313 HA TYR 53 HA TYR 53 11.343 0.125 -1.065 314 HB3 TYR 53 2HB TYR 53 9.109 1.145 -1.578 315 HD1 TYR 53 1HD TYR 53 8.376 1.183 -3.972 316 HD2 TYR 53 2HD TYR 53 8.036 -2.381 -1.573 317 HE1 TYR 53 1HE TYR 53 6.778 0.205 -5.631 318 HE2 TYR 53 2HE TYR 53 6.437 -3.343 -3.205 319 HH TYR 53 HH TYR 53 5.498 -3.062 -5.421 320 H LYS 54 H LYS 54 10.834 -2.096 -0.129 321 HA LYS 54 HA LYS 54 10.527 -4.212 -2.145 322 HB3 LYS 54 2HB LYS 54 12.121 -5.650 -0.728 323 HG3 LYS 54 2HG LYS 54 14.245 -4.597 -1.581 324 HD3 LYS 54 2HD LYS 54 11.939 -5.316 -3.366 325 HE3 LYS 54 2HE LYS 54 14.392 -3.766 -4.226 326 HZ1 LYS 54 3HZ LYS 54 14.348 -5.714 -5.604 327 HZ2 LYS 54 1HZ LYS 54 13.902 -4.386 -6.444 328 HZ3 LYS 54 2HZ LYS 54 12.762 -5.501 -5.988 329 H ILE 55 H ILE 55 9.469 -6.058 -1.299 330 HA ILE 55 HA ILE 55 8.302 -5.684 1.379 331 HB ILE 55 HB ILE 55 7.368 -7.503 -0.831 332 HG13 ILE 55 2HG1 ILE 55 5.453 -5.985 -1.148 333 HG21 ILE 55 1HG2 ILE 55 6.694 -8.316 1.399 334 HG22 ILE 55 2HG2 ILE 55 5.707 -6.816 1.587 335 HG23 ILE 55 3HG2 ILE 55 5.393 -7.950 0.294 336 HD11 ILE 55 3HD1 ILE 55 5.511 -3.630 -0.467 337 HD12 ILE 55 1HD1 ILE 55 5.297 -4.695 0.914 338 HD13 ILE 55 2HD1 ILE 55 6.887 -3.957 0.598 339 H GLU 56 H GLU 56 9.882 -6.553 2.714 340 HA GLU 56 HA GLU 56 10.416 -9.432 2.365 341 HB3 GLU 56 2HB GLU 56 12.643 -7.593 3.251 342 HG3 GLU 56 2HG GLU 56 12.565 -10.380 1.982 343 H GLU 57 H GLU 57 8.600 -7.919 4.024 344 HA GLU 57 HA GLU 57 8.974 -9.270 6.408 345 HB3 GLU 57 2HB GLU 57 8.699 -6.808 7.708 346 HG3 GLU 57 2HG GLU 57 10.974 -6.532 8.198 347 H GLY 58 H GLY 58 6.871 -8.519 4.283 348 HA2 GLY 58 1HA GLY 58 4.536 -8.273 4.222 349 HA3 GLY 58 2HA GLY 58 4.488 -8.667 5.942 350 H ARG 59 H ARG 59 6.509 -6.100 4.940 351 HA ARG 59 HA ARG 59 4.663 -3.913 5.730 352 HB3 ARG 59 2HB ARG 59 6.599 -2.938 7.077 353 HG3 ARG 59 2HG ARG 59 5.762 -5.733 7.963 354 HD3 ARG 59 2HD ARG 59 6.763 -3.351 9.563 355 HE ARG 59 HE ARG 59 5.476 -4.336 11.156 356 HH11 ARG 59 1HH1 ARG 59 6.960 -7.120 9.290 357 HH12 ARG 59 2HH1 ARG 59 6.493 -8.203 10.567 358 HH21 ARG 59 1HH2 ARG 59 4.698 -5.985 12.517 359 HH22 ARG 59 2HH2 ARG 59 5.175 -7.641 12.213 360 H ILE 60 H ILE 60 6.456 -1.752 5.209 361 HA ILE 60 HA ILE 60 7.447 -2.436 2.456 362 HB ILE 60 HB ILE 60 6.340 0.247 3.295 363 HG13 ILE 60 2HG1 ILE 60 4.551 -1.459 3.322 364 HG21 ILE 60 1HG2 ILE 60 7.022 -0.972 0.574 365 HG22 ILE 60 2HG2 ILE 60 6.544 0.706 0.888 366 HG23 ILE 60 3HG2 ILE 60 8.095 0.121 1.472 367 HD11 ILE 60 3HD1 ILE 60 3.833 0.629 2.424 368 HD12 ILE 60 1HD1 ILE 60 4.358 0.172 0.794 369 HD13 ILE 60 2HD1 ILE 60 3.043 -0.713 1.588 370 H TYR 61 H TYR 61 9.523 -2.545 2.424 371 HA TYR 61 HA TYR 61 11.222 -1.148 4.397 372 HB3 TYR 61 2HB TYR 61 11.868 -3.067 2.119 373 HD1 TYR 61 2HD TYR 61 13.243 -1.637 5.354 374 HD2 TYR 61 1HD TYR 61 14.115 -3.163 1.399 375 HE1 TYR 61 2HE TYR 61 15.632 -1.379 5.790 376 HE2 TYR 61 1HE TYR 61 16.518 -2.889 1.826 377 HH TYR 61 HH TYR 61 17.765 -1.600 4.958 378 H ILE 62 H ILE 62 11.898 0.884 3.902 379 HA ILE 62 HA ILE 62 12.054 1.761 1.065 380 HB ILE 62 HB ILE 62 11.887 3.443 3.595 381 HG13 ILE 62 2HG1 ILE 62 9.581 3.967 3.120 382 HG21 ILE 62 1HG2 ILE 62 11.638 4.162 0.646 383 HG22 ILE 62 2HG2 ILE 62 11.303 5.276 1.992 384 HG23 ILE 62 3HG2 ILE 62 12.931 4.625 1.767 385 HD11 ILE 62 3HD1 ILE 62 8.196 2.576 1.636 386 HD12 ILE 62 1HD1 ILE 62 9.343 3.566 0.724 387 HD13 ILE 62 2HD1 ILE 62 9.662 1.831 0.952 388 H TYR 63 H TYR 63 14.153 2.253 0.421 389 HA TYR 63 HA TYR 63 16.318 2.610 2.383 390 HB3 TYR 63 2HB TYR 63 16.015 0.142 2.150 391 HD1 TYR 63 1HD TYR 63 14.178 -0.389 0.451 392 HD2 TYR 63 2HD TYR 63 18.276 0.390 -0.712 393 HE1 TYR 63 1HE TYR 63 13.715 -1.233 -1.816 394 HE2 TYR 63 2HE TYR 63 17.825 -0.557 -2.947 395 HH TYR 63 HH TYR 63 16.020 -1.118 -4.450 396 H ASP 64 H ASP 64 14.909 3.910 -0.257 397 HA ASP 64 HA ASP 64 17.325 5.138 -1.092 398 HB3 ASP 64 2HB ASP 64 15.602 3.927 -3.282 399 H VAL 65 H VAL 65 16.620 7.221 -1.051 400 HA VAL 65 HA VAL 65 13.922 7.905 -1.950 401 HB VAL 65 HB VAL 65 15.062 8.979 0.675 402 HG11 VAL 65 1HG1 VAL 65 12.781 9.907 0.957 403 HG12 VAL 65 2HG1 VAL 65 13.605 10.572 -0.454 404 HG13 VAL 65 3HG1 VAL 65 12.364 9.319 -0.675 405 HG21 VAL 65 3HG2 VAL 65 13.246 7.788 1.856 406 HG22 VAL 65 1HG2 VAL 65 12.841 6.937 0.348 407 HG23 VAL 65 2HG2 VAL 65 14.411 6.678 1.132 408 H TYR 66 H TYR 66 13.921 10.039 -2.858 409 HA TYR 66 HA TYR 66 16.420 11.614 -2.906 410 HB3 TYR 66 2HB TYR 66 15.733 9.794 -4.982 411 HD1 TYR 66 1HD TYR 66 13.498 10.124 -6.001 412 HD2 TYR 66 2HD TYR 66 16.560 13.150 -6.223 413 HE1 TYR 66 1HE TYR 66 12.210 11.341 -7.748 414 HE2 TYR 66 2HE TYR 66 15.270 14.402 -7.830 415 HH TYR 66 HH TYR 66 12.275 13.115 -9.344 416 HA PRO 67 HA PRO 67 16.927 13.530 -4.248 417 HB3 PRO 67 2HB PRO 67 16.218 15.487 -5.300 418 HG3 PRO 67 2HG PRO 67 14.518 16.904 -4.273 419 HD3 PRO 67 2HD PRO 67 13.672 14.726 -4.833 420 H ASP 68 H ASP 68 15.257 14.024 -1.287 421 HA ASP 68 HA ASP 68 17.773 14.408 0.270 422 HB3 ASP 68 2HB ASP 68 15.716 14.356 2.102 423 H GLU 69 H GLU 69 18.600 12.382 0.358 424 HA GLU 69 HA GLU 69 16.945 10.004 0.629 425 HB3 GLU 69 2HB GLU 69 19.171 9.860 -0.388 426 HG3 GLU 69 2HG GLU 69 20.106 10.892 2.305 427 H LYS 70 H LYS 70 16.991 8.699 2.628 428 HA LYS 70 HA LYS 70 17.820 10.024 5.094 429 HB3 LYS 70 2HB LYS 70 15.742 9.373 6.250 430 HG3 LYS 70 2HG LYS 70 15.088 10.986 3.764 431 HD3 LYS 70 2HD LYS 70 14.073 11.701 6.514 432 HE3 LYS 70 2HE LYS 70 12.194 12.523 5.084 433 HZ1 LYS 70 3HZ LYS 70 14.704 13.263 3.718 434 HZ2 LYS 70 1HZ LYS 70 14.190 13.972 5.124 435 HZ3 LYS 70 2HZ LYS 70 13.295 14.090 3.729 436 H THR 71 H THR 71 17.682 8.227 6.912 437 HA THR 71 HA THR 71 19.082 5.911 6.200 438 HB THR 71 HB THR 71 18.978 6.624 8.485 439 HG1 THR 71 1HG THR 71 17.516 4.189 8.411 440 HG21 THR 71 3HG2 THR 71 16.960 6.404 9.847 441 HG22 THR 71 1HG2 THR 71 16.061 5.849 8.416 442 HG23 THR 71 2HG2 THR 71 16.677 7.517 8.494 443 HA PRO 72 HA PRO 72 15.750 3.294 4.550 444 HB3 PRO 72 2HB PRO 72 17.389 1.707 3.906 445 HG3 PRO 72 2HG PRO 72 19.312 1.360 5.225 446 HD3 PRO 72 2HD PRO 72 19.266 3.686 4.775 447 H TYR 73 H TYR 73 13.983 2.100 5.527 448 HA TYR 73 HA TYR 73 13.985 1.312 8.300 449 HB3 TYR 73 2HB TYR 73 13.606 3.600 8.817 450 HD1 TYR 73 2HD TYR 73 10.406 3.054 6.967 451 HD2 TYR 73 1HD TYR 73 13.953 5.458 7.333 452 HE1 TYR 73 2HE TYR 73 9.535 4.633 5.261 453 HE2 TYR 73 1HE TYR 73 13.092 7.031 5.635 454 HH TYR 73 HH TYR 73 11.224 7.588 4.231 455 H TYR 74 H TYR 74 11.589 0.607 8.838 456 HA TYR 74 HA TYR 74 10.298 -0.499 6.394 457 HB3 TYR 74 2HB TYR 74 9.459 -2.348 7.773 458 HD1 TYR 74 2HD TYR 74 12.904 -1.715 9.064 459 HD2 TYR 74 1HD TYR 74 10.509 -3.831 6.158 460 HE1 TYR 74 2HE TYR 74 14.872 -3.004 8.400 461 HE2 TYR 74 1HE TYR 74 12.491 -5.179 5.500 462 HH TYR 74 HH TYR 74 15.620 -4.801 7.255 463 H LEU 75 H LEU 75 8.064 -0.202 6.307 464 HA LEU 75 HA LEU 75 6.806 1.429 8.472 465 HB3 LEU 75 2HB LEU 75 5.407 2.295 6.615 466 HG LEU 75 HG LEU 75 8.351 2.796 6.010 467 HD11 LEU 75 1HD1 LEU 75 6.867 3.489 4.202 468 HD12 LEU 75 2HD1 LEU 75 7.400 4.929 5.064 469 HD13 LEU 75 3HD1 LEU 75 5.780 4.307 5.364 470 HD21 LEU 75 3HD2 LEU 75 6.419 4.173 7.912 471 HD22 LEU 75 1HD2 LEU 75 7.926 4.920 7.374 472 HD23 LEU 75 2HD2 LEU 75 7.975 3.434 8.333 473 H ASP 76 H ASP 76 5.323 0.239 9.520 474 HA ASP 76 HA ASP 76 4.304 -2.262 8.570 475 HB3 ASP 76 2HB ASP 76 2.796 -2.113 10.535 476 H CYS 77 H CYS 77 2.483 -2.637 7.280 477 HA CYS 77 HA CYS 77 0.308 -0.758 7.449 478 HB3 CYS 77 2HB CYS 77 0.039 -0.199 5.203 479 HG CYS 77 HG CYS 77 2.471 0.618 6.491 480 H LYS 78 H LYS 78 -1.617 -1.654 6.488 481 HA LYS 78 HA LYS 78 -1.610 -4.612 6.150 482 HB3 LYS 78 2HB LYS 78 -3.780 -4.708 7.129 483 HG3 LYS 78 2HG LYS 78 -1.451 -3.954 8.742 484 HD3 LYS 78 2HD LYS 78 -4.224 -3.514 9.916 485 HE3 LYS 78 2HE LYS 78 -2.920 -2.776 11.920 486 HZ1 LYS 78 3HZ LYS 78 -2.182 -5.534 11.215 487 HZ2 LYS 78 1HZ LYS 78 -3.660 -5.146 11.836 488 HZ3 LYS 78 2HZ LYS 78 -2.261 -4.923 12.698 489 H ILE 79 H ILE 79 -3.346 -5.375 4.554 490 HA ILE 79 HA ILE 79 -4.530 -3.226 2.969 491 HB ILE 79 HB ILE 79 -2.170 -3.739 2.188 492 HG13 ILE 79 2HG1 ILE 79 -3.932 -2.563 0.874 493 HG21 ILE 79 1HG2 ILE 79 -2.324 -6.243 2.444 494 HG22 ILE 79 2HG2 ILE 79 -3.392 -6.272 1.027 495 HG23 ILE 79 3HG2 ILE 79 -1.712 -5.723 0.876 496 HD11 ILE 79 3HD1 ILE 79 -2.717 -2.712 -1.253 497 HD12 ILE 79 1HD1 ILE 79 -1.643 -2.531 0.144 498 HD13 ILE 79 2HD1 ILE 79 -1.814 -4.103 -0.651 499 H SER 80 H SER 80 -6.415 -3.887 1.816 500 HA SER 80 HA SER 80 -7.088 -6.746 1.649 501 HB3 SER 80 2HB SER 80 -7.954 -6.288 3.826 502 HG SER 80 HG SER 80 -9.529 -4.597 4.077 503 H GLY 81 H GLY 81 -6.711 -6.235 -0.508 504 HA2 GLY 81 1HA GLY 81 -7.263 -5.979 -2.631 505 HA3 GLY 81 2HA GLY 81 -8.956 -6.023 -2.104 506 H THR 82 H THR 82 -9.492 -3.641 -1.041 507 HA THR 82 HA THR 82 -8.313 -1.495 -2.708 508 HB THR 82 HB THR 82 -10.710 -0.573 -2.955 509 HG1 THR 82 1HG THR 82 -12.210 -1.753 -2.279 510 HG21 THR 82 3HG2 THR 82 -11.056 -1.777 -5.049 511 HG22 THR 82 1HG2 THR 82 -9.881 -3.016 -4.559 512 HG23 THR 82 2HG2 THR 82 -9.349 -1.345 -4.832 513 H THR 83 H THR 83 -8.066 -2.346 0.197 514 HA THR 83 HA THR 83 -8.352 0.411 1.212 515 HB THR 83 HB THR 83 -8.800 -2.007 2.996 516 HG1 THR 83 1HG THR 83 -10.697 -2.031 2.207 517 HG21 THR 83 3HG2 THR 83 -9.337 -0.501 4.737 518 HG22 THR 83 1HG2 THR 83 -9.577 0.869 3.606 519 HG23 THR 83 2HG2 THR 83 -7.956 0.266 3.971 520 H LEU 84 H LEU 84 -6.358 1.121 1.852 521 HA LEU 84 HA LEU 84 -4.266 -0.811 2.752 522 HB3 LEU 84 2HB LEU 84 -4.081 1.755 1.174 523 HG LEU 84 HG LEU 84 -2.303 1.920 2.909 524 HD11 LEU 84 1HD1 LEU 84 -0.360 0.327 2.709 525 HD12 LEU 84 2HD1 LEU 84 -1.385 -0.728 1.713 526 HD13 LEU 84 3HD1 LEU 84 -1.809 -0.400 3.404 527 HD21 LEU 84 3HD2 LEU 84 -0.465 2.269 1.282 528 HD22 LEU 84 1HD2 LEU 84 -2.002 2.885 0.657 529 HD23 LEU 84 2HD2 LEU 84 -1.373 1.347 0.065 530 H LYS 85 H LYS 85 -3.669 -0.501 4.816 531 HA LYS 85 HA LYS 85 -4.291 2.077 6.217 532 HB3 LYS 85 2HB LYS 85 -4.309 -0.782 7.283 533 HG3 LYS 85 2HG LYS 85 -4.648 1.936 8.634 534 HD3 LYS 85 2HD LYS 85 -5.232 -0.770 9.900 535 HE3 LYS 85 2HE LYS 85 -6.487 0.622 11.561 536 HZ1 LYS 85 3HZ LYS 85 -3.682 1.450 11.170 537 HZ2 LYS 85 1HZ LYS 85 -4.256 0.418 12.334 538 HZ3 LYS 85 2HZ LYS 85 -4.577 2.007 12.385 539 H VAL 86 H VAL 86 -2.236 3.088 5.988 540 HA VAL 86 HA VAL 86 0.198 1.562 6.699 541 HB VAL 86 HB VAL 86 -0.265 4.524 6.316 542 HG11 VAL 86 1HG1 VAL 86 2.134 4.742 6.149 543 HG12 VAL 86 2HG1 VAL 86 1.662 4.059 7.680 544 HG13 VAL 86 3HG1 VAL 86 2.344 2.988 6.450 545 HG21 VAL 86 3HG2 VAL 86 0.775 4.275 4.091 546 HG22 VAL 86 1HG2 VAL 86 0.862 2.507 4.319 547 HG23 VAL 86 2HG2 VAL 86 -0.702 3.331 4.182 548 H GLU 87 H GLU 87 0.777 1.278 8.851 549 HA GLU 87 HA GLU 87 -0.879 2.575 10.927 550 HB3 GLU 87 2HB GLU 87 0.302 1.178 12.486 551 HG3 GLU 87 2HG GLU 87 -0.282 -0.619 10.107 552 H THR 88 H THR 88 2.442 2.790 9.588 553 HA THR 88 HA THR 88 3.034 5.121 11.284 554 HB THR 88 HB THR 88 3.753 3.257 12.549 555 HG1 THR 88 1HG THR 88 5.334 5.076 12.250 556 HG21 THR 88 3HG2 THR 88 5.325 1.549 11.752 557 HG22 THR 88 1HG2 THR 88 5.439 2.372 10.180 558 HG23 THR 88 2HG2 THR 88 3.932 1.589 10.682 559 H GLY 89 H GLY 89 4.819 6.337 10.473 560 HA2 GLY 89 1HA GLY 89 6.512 6.637 8.692 561 HA3 GLY 89 2HA GLY 89 5.322 5.994 7.546 562 H SER 90 H SER 90 6.081 8.119 6.644 563 HA SER 90 HA SER 90 4.804 10.523 7.524 564 HB3 SER 90 2HB SER 90 5.069 10.417 4.624 565 HG SER 90 HG SER 90 6.169 11.833 6.794 566 H GLU 91 H GLU 91 3.572 7.723 5.898 567 HA GLU 91 HA GLU 91 1.189 9.298 5.111 568 HB3 GLU 91 2HB GLU 91 0.842 7.258 3.568 569 HG3 GLU 91 2HG GLU 91 2.401 8.514 2.003 570 H ALA 92 H ALA 92 1.621 8.225 7.835 571 HA ALA 92 HA ALA 92 0.035 5.949 8.411 572 HB1 ALA 92 1HB ALA 92 1.722 6.860 9.924 573 HB2 ALA 92 2HB ALA 92 0.754 8.334 10.157 574 HB3 ALA 92 3HB ALA 92 0.143 6.767 10.721 575 H GLY 93 H GLY 93 -2.040 5.822 7.700 576 HA2 GLY 93 1HA GLY 93 -4.231 7.310 8.840 577 HA3 GLY 93 2HA GLY 93 -3.833 7.959 7.280 578 H THR 94 H THR 94 -5.094 7.201 5.796 579 HA THR 94 HA THR 94 -5.659 4.349 5.482 580 HB THR 94 HB THR 94 -7.383 5.062 7.099 581 HG1 THR 94 1HG THR 94 -9.169 4.334 5.827 582 HG21 THR 94 3HG2 THR 94 -8.485 6.911 4.954 583 HG22 THR 94 1HG2 THR 94 -7.622 7.439 6.416 584 HG23 THR 94 2HG2 THR 94 -9.163 6.585 6.561 585 H TYR 95 H TYR 95 -6.267 3.775 3.388 586 HA TYR 95 HA TYR 95 -6.811 5.878 1.375 587 HB3 TYR 95 2HB TYR 95 -5.152 4.766 -0.129 588 HD1 TYR 95 2HD TYR 95 -4.981 7.372 0.511 589 HD2 TYR 95 1HD TYR 95 -2.764 4.225 2.427 590 HE1 TYR 95 2HE TYR 95 -3.486 9.064 1.539 591 HE2 TYR 95 1HE TYR 95 -1.202 5.927 3.371 592 HH TYR 95 HH TYR 95 -1.019 9.012 2.694 593 H LYS 96 H LYS 96 -8.151 5.117 -0.295 594 HA LYS 96 HA LYS 96 -9.128 2.322 -0.061 595 HB3 LYS 96 2HB LYS 96 -11.205 3.580 -1.270 596 HG3 LYS 96 2HG LYS 96 -12.170 4.045 0.918 597 HD3 LYS 96 2HD LYS 96 -10.757 1.369 1.055 598 HE3 LYS 96 2HE LYS 96 -13.627 2.181 1.658 599 HZ1 LYS 96 3HZ LYS 96 -13.519 -0.140 1.154 600 HZ2 LYS 96 1HZ LYS 96 -13.580 -0.017 2.777 601 HZ3 LYS 96 2HZ LYS 96 -12.147 -0.338 2.055 602 H LYS 97 H LYS 97 -6.842 3.004 -1.716 603 HA LYS 97 HA LYS 97 -5.910 2.731 -3.770 604 HB3 LYS 97 2HB LYS 97 -8.418 1.164 -4.426 605 HG3 LYS 97 2HG LYS 97 -5.712 1.418 -5.761 606 HD3 LYS 97 2HD LYS 97 -7.438 -0.852 -6.579 607 HE3 LYS 97 2HE LYS 97 -4.473 -0.887 -5.872 608 HZ1 LYS 97 3HZ LYS 97 -6.017 -2.241 -8.006 609 HZ2 LYS 97 1HZ LYS 97 -5.527 -2.989 -6.616 610 HZ3 LYS 97 2HZ LYS 97 -4.419 -2.460 -7.679 611 H GLN 98 H GLN 98 -5.946 3.480 -6.001 612 HA GLN 98 HA GLN 98 -8.247 4.824 -7.075 613 HB3 GLN 98 2HB GLN 98 -6.702 6.714 -7.916 614 HG3 GLN 98 2HG GLN 98 -6.837 8.193 -6.014 615 HE21 GLN 98 1HE2 GLN 98 -9.248 6.316 -4.570 616 HE22 GLN 98 2HE2 GLN 98 -10.623 6.992 -5.390 617 H LYS 99 H LYS 99 -7.925 4.986 -9.319 618 HA LYS 99 HA LYS 99 -7.490 4.186 -11.368 619 HB3 LYS 99 2HB LYS 99 -5.225 3.773 -12.133 620 HG3 LYS 99 2HG LYS 99 -3.892 5.710 -11.233 621 HD3 LYS 99 2HD LYS 99 -5.436 7.557 -11.784 622 HE3 LYS 99 2HE LYS 99 -5.887 5.503 -13.944 623 HZ1 LYS 99 3HZ LYS 99 -4.574 8.149 -13.859 624 HZ2 LYS 99 1HZ LYS 99 -6.108 7.908 -14.413 625 HZ3 LYS 99 2HZ LYS 99 -4.841 7.275 -15.231 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -12.332 -7.431 16.411 2 HA2 GLY 1 1HA GLY 1 -10.620 -5.631 16.277 3 HA3 GLY 1 2HA GLY 1 -10.018 -7.212 15.741 4 H GLU 2 H GLU 2 -8.659 -6.807 14.045 5 HA GLU 2 HA GLU 2 -9.784 -5.485 11.709 6 HB3 GLU 2 2HB GLU 2 -8.744 -3.578 11.944 7 HG3 GLU 2 2HG GLU 2 -6.540 -3.300 13.273 8 H ASP 3 H ASP 3 -9.951 -7.162 10.560 9 HA ASP 3 HA ASP 3 -7.818 -9.136 10.249 10 HB3 ASP 3 2HB ASP 3 -9.368 -10.431 9.026 11 H TRP 4 H TRP 4 -6.433 -8.612 8.843 12 HA TRP 4 HA TRP 4 -7.109 -7.150 6.383 13 HB3 TRP 4 2HB TRP 4 -4.772 -6.226 6.474 14 HD1 TRP 4 HD TRP 4 -6.203 -5.481 9.945 15 HE1 TRP 4 1HE TRP 4 -7.470 -3.244 9.908 16 HE3 TRP 4 3HE TRP 4 -5.814 -4.536 5.089 17 HZ2 TRP 4 2HZ TRP 4 -8.162 -1.158 7.827 18 HZ3 TRP 4 3HZ TRP 4 -6.809 -2.529 4.007 19 HH2 TRP 4 HH TRP 4 -7.983 -0.856 5.409 20 H THR 5 H THR 5 -4.948 -7.636 4.796 21 HA THR 5 HA THR 5 -4.672 -10.605 4.921 22 HB THR 5 HB THR 5 -4.516 -10.643 2.518 23 HG1 THR 5 1HG THR 5 -4.741 -7.860 2.723 24 HG21 THR 5 3HG2 THR 5 -6.799 -10.205 1.907 25 HG22 THR 5 1HG2 THR 5 -7.047 -9.198 3.354 26 HG23 THR 5 2HG2 THR 5 -6.722 -10.939 3.529 27 H GLU 6 H GLU 6 -2.793 -11.410 3.719 28 HA GLU 6 HA GLU 6 -0.319 -10.454 4.692 29 HB3 GLU 6 2HB GLU 6 0.459 -11.806 2.527 30 HG3 GLU 6 2HG GLU 6 0.862 -12.573 4.778 31 H LEU 7 H LEU 7 0.814 -8.734 4.158 32 HA LEU 7 HA LEU 7 0.226 -7.121 1.775 33 HB3 LEU 7 2HB LEU 7 2.670 -6.993 3.601 34 HG LEU 7 HG LEU 7 2.497 -5.490 1.537 35 HD11 LEU 7 1HD1 LEU 7 0.278 -4.805 1.367 36 HD12 LEU 7 2HD1 LEU 7 1.045 -3.406 2.168 37 HD13 LEU 7 3HD1 LEU 7 0.101 -4.539 3.137 38 HD21 LEU 7 3HD2 LEU 7 2.532 -4.110 4.225 39 HD22 LEU 7 1HD2 LEU 7 3.155 -3.441 2.708 40 HD23 LEU 7 2HD2 LEU 7 3.927 -4.883 3.427 41 H ASN 8 H ASN 8 1.101 -7.643 -0.176 42 HA ASN 8 HA ASN 8 3.723 -9.004 -0.299 43 HB3 ASN 8 2HB ASN 8 2.127 -10.828 -0.564 44 HD21 ASN 8 1HD2 ASN 8 -0.194 -10.463 -0.459 45 HD22 ASN 8 2HD2 ASN 8 -1.074 -10.130 -1.934 46 H SER 9 H SER 9 4.274 -9.075 -2.730 47 HA SER 9 HA SER 9 4.912 -6.420 -3.429 48 HB3 SER 9 2HB SER 9 6.354 -8.243 -4.026 49 HG SER 9 HG SER 9 5.672 -9.876 -5.393 50 H ASN 10 H ASN 10 2.343 -8.591 -4.598 51 HA ASN 10 HA ASN 10 1.680 -6.872 -6.895 52 HB3 ASN 10 2HB ASN 10 -0.228 -8.436 -7.132 53 HD21 ASN 10 1HD2 ASN 10 3.196 -9.469 -6.301 54 HD22 ASN 10 2HD2 ASN 10 3.395 -10.383 -7.748 55 H ASN 11 H ASN 11 0.522 -7.480 -3.575 56 HA ASN 11 HA ASN 11 -2.072 -6.532 -3.952 57 HB3 ASN 11 2HB ASN 11 -1.402 -5.779 -1.305 58 HD21 ASN 11 1HD2 ASN 11 -1.745 -8.345 0.136 59 HD22 ASN 11 2HD2 ASN 11 -3.392 -8.673 -0.298 60 H ILE 12 H ILE 12 0.855 -4.673 -3.208 61 HA ILE 12 HA ILE 12 -0.547 -2.275 -2.510 62 HB ILE 12 HB ILE 12 1.517 -2.842 -1.511 63 HG13 ILE 12 2HG1 ILE 12 1.715 -0.331 -3.205 64 HG21 ILE 12 1HG2 ILE 12 3.681 -2.911 -2.609 65 HG22 ILE 12 2HG2 ILE 12 2.632 -4.152 -3.251 66 HG23 ILE 12 3HG2 ILE 12 2.931 -2.664 -4.188 67 HD11 ILE 12 3HD1 ILE 12 1.364 0.804 -1.109 68 HD12 ILE 12 1HD1 ILE 12 0.118 -0.433 -1.216 69 HD13 ILE 12 2HD1 ILE 12 1.575 -0.713 -0.187 70 H ILE 13 H ILE 13 0.434 -3.557 -5.603 71 HA ILE 13 HA ILE 13 1.192 -1.295 -6.996 72 HB ILE 13 HB ILE 13 -0.292 -3.732 -8.088 73 HG13 ILE 13 2HG1 ILE 13 1.980 -4.710 -8.478 74 HG21 ILE 13 1HG2 ILE 13 1.603 -1.759 -9.428 75 HG22 ILE 13 2HG2 ILE 13 1.151 -3.327 -10.126 76 HG23 ILE 13 3HG2 ILE 13 -0.092 -2.115 -9.831 77 HD11 ILE 13 3HD1 ILE 13 3.838 -4.008 -7.136 78 HD12 ILE 13 1HD1 ILE 13 3.336 -2.594 -8.112 79 HD13 ILE 13 2HD1 ILE 13 2.926 -2.694 -6.401 80 H GLY 14 H GLY 14 0.122 0.584 -7.157 81 HA2 GLY 14 1HA GLY 14 -2.022 1.048 -8.797 82 HA3 GLY 14 2HA GLY 14 -2.741 0.817 -7.196 83 H TYR 15 H TYR 15 -3.114 3.202 -8.264 84 HA TYR 15 HA TYR 15 -1.377 5.120 -6.799 85 HB3 TYR 15 2HB TYR 15 -3.408 6.604 -7.629 86 HD1 TYR 15 1HD TYR 15 -0.697 4.722 -9.501 87 HD2 TYR 15 2HD TYR 15 -2.780 8.435 -8.820 88 HE1 TYR 15 1HE TYR 15 0.960 5.908 -10.904 89 HE2 TYR 15 2HE TYR 15 -1.087 9.639 -10.171 90 HH TYR 15 HH TYR 15 1.293 8.013 -12.151 91 H TRP 16 H TRP 16 -2.454 6.397 -5.124 92 HA TRP 16 HA TRP 16 -4.919 5.280 -3.916 93 HB3 TRP 16 2HB TRP 16 -3.804 5.215 -1.740 94 HD1 TRP 16 HD TRP 16 -0.895 3.998 -3.896 95 HE1 TRP 16 1HE TRP 16 -0.845 1.411 -3.910 96 HE3 TRP 16 3HE TRP 16 -5.201 3.076 -1.270 97 HZ2 TRP 16 2HZ TRP 16 -2.395 -0.713 -2.876 98 HZ3 TRP 16 3HZ TRP 16 -5.904 0.620 -0.889 99 HH2 TRP 16 HH TRP 16 -4.636 -1.153 -1.835 100 H SER 17 H SER 17 -6.092 6.914 -2.786 101 HA SER 17 HA SER 17 -4.861 9.552 -2.314 102 HB3 SER 17 2HB SER 17 -7.380 9.099 -3.959 103 HG SER 17 HG SER 17 -7.809 10.993 -3.147 104 H THR 18 H THR 18 -6.824 10.831 -1.083 105 HA THR 18 HA THR 18 -8.298 8.914 0.661 106 HB THR 18 HB THR 18 -6.352 9.110 1.932 107 HG1 THR 18 1HG THR 18 -7.130 10.123 3.783 108 HG21 THR 18 3HG2 THR 18 -5.352 11.221 2.744 109 HG22 THR 18 1HG2 THR 18 -6.480 12.152 1.741 110 HG23 THR 18 2HG2 THR 18 -5.230 11.100 1.000 111 H GLY 19 H GLY 19 -7.839 12.333 -0.344 112 HA2 GLY 19 1HA GLY 19 -10.626 12.545 -0.713 113 HA3 GLY 19 2HA GLY 19 -10.044 13.652 0.559 114 H ILE 20 H ILE 20 -10.897 14.944 -1.588 115 HA ILE 20 HA ILE 20 -8.395 15.881 -2.904 116 HB ILE 20 HB ILE 20 -9.751 16.392 -4.919 117 HG13 ILE 20 2HG1 ILE 20 -11.984 16.206 -3.538 118 HG21 ILE 20 1HG2 ILE 20 -8.280 14.355 -4.668 119 HG22 ILE 20 2HG2 ILE 20 -9.720 13.413 -4.255 120 HG23 ILE 20 3HG2 ILE 20 -9.576 14.191 -5.853 121 HD11 ILE 20 3HD1 ILE 20 -11.776 15.010 -6.326 122 HD12 ILE 20 1HD1 ILE 20 -13.284 15.456 -5.503 123 HD13 ILE 20 2HD1 ILE 20 -12.084 16.700 -5.866 124 H GLU 21 H GLU 21 -9.443 16.811 -0.461 125 HA GLU 21 HA GLU 21 -10.128 19.600 -1.166 126 HB3 GLU 21 2HB GLU 21 -12.279 18.540 -0.732 127 HG3 GLU 21 2HG GLU 21 -11.083 17.679 1.943 128 H GLY 22 H GLY 22 -9.981 20.959 0.996 129 HA2 GLY 22 1HA GLY 22 -8.759 21.782 2.711 130 HA3 GLY 22 2HA GLY 22 -8.935 20.150 3.359 131 H THR 23 H THR 23 -7.187 18.709 3.289 132 HA THR 23 HA THR 23 -4.846 19.317 1.730 133 HB THR 23 HB THR 23 -4.358 18.550 4.633 134 HG1 THR 23 1HG THR 23 -5.143 20.517 4.882 135 HG21 THR 23 3HG2 THR 23 -2.538 18.088 3.021 136 HG22 THR 23 1HG2 THR 23 -2.082 19.361 4.169 137 HG23 THR 23 2HG2 THR 23 -2.553 19.786 2.514 138 H HIS 24 H HIS 24 -4.023 17.241 0.974 139 HA HIS 24 HA HIS 24 -4.885 14.791 2.270 140 HB3 HIS 24 2HB HIS 24 -6.850 15.176 0.981 141 HD1 HIS 24 1HD HIS 24 -6.965 17.705 -0.151 142 HD2 HIS 24 2HD HIS 24 -5.177 14.581 -2.277 143 HE1 HIS 24 1HE HIS 24 -6.703 18.541 -2.556 144 H LYS 25 H LYS 25 -4.011 12.963 0.444 145 HA LYS 25 HA LYS 25 -1.292 13.762 -0.401 146 HB3 LYS 25 2HB LYS 25 -0.546 11.634 0.793 147 HG3 LYS 25 2HG LYS 25 -0.505 14.326 1.637 148 HD3 LYS 25 2HD LYS 25 -0.683 12.443 4.028 149 HE3 LYS 25 2HE LYS 25 -0.488 15.491 3.740 150 HZ1 LYS 25 3HZ LYS 25 0.054 13.947 6.173 151 HZ2 LYS 25 1HZ LYS 25 -1.467 14.509 5.846 152 HZ3 LYS 25 2HZ LYS 25 -0.151 15.544 6.009 153 H LEU 26 H LEU 26 -0.650 12.599 -2.105 154 HA LEU 26 HA LEU 26 -2.316 10.426 -3.207 155 HB3 LEU 26 2HB LEU 26 0.134 11.502 -4.598 156 HG LEU 26 HG LEU 26 -1.178 11.618 -6.579 157 HD11 LEU 26 1HD1 LEU 26 -2.072 8.993 -5.419 158 HD12 LEU 26 2HD1 LEU 26 -0.377 9.325 -5.907 159 HD13 LEU 26 3HD1 LEU 26 -1.690 9.407 -7.081 160 HD21 LEU 26 3HD2 LEU 26 -3.563 11.046 -6.723 161 HD22 LEU 26 1HD2 LEU 26 -3.283 12.470 -5.717 162 HD23 LEU 26 2HD2 LEU 26 -3.649 10.909 -4.956 163 H LEU 27 H LEU 27 -1.137 8.419 -3.785 164 HA LEU 27 HA LEU 27 1.653 8.045 -2.999 165 HB3 LEU 27 2HB LEU 27 0.517 5.639 -2.190 166 HG LEU 27 HG LEU 27 1.106 7.989 -0.376 167 HD11 LEU 27 1HD1 LEU 27 -0.474 6.448 0.702 168 HD12 LEU 27 2HD1 LEU 27 1.128 6.254 1.423 169 HD13 LEU 27 3HD1 LEU 27 0.554 5.059 0.266 170 HD21 LEU 27 3HD2 LEU 27 2.874 5.641 -0.233 171 HD22 LEU 27 1HD2 LEU 27 3.267 7.354 -0.298 172 HD23 LEU 27 2HD2 LEU 27 2.945 6.454 -1.794 173 H SER 28 H SER 28 2.577 6.439 -4.527 174 HA SER 28 HA SER 28 0.675 4.711 -5.871 175 HB3 SER 28 2HB SER 28 0.589 6.567 -7.373 176 HG SER 28 HG SER 28 3.142 6.698 -8.152 177 H PHE 29 H PHE 29 1.723 2.899 -6.898 178 HA PHE 29 HA PHE 29 4.580 2.454 -6.220 179 HB3 PHE 29 2HB PHE 29 3.904 0.244 -5.254 180 HD1 PHE 29 1HD PHE 29 1.456 2.566 -3.720 181 HD2 PHE 29 2HD PHE 29 5.554 1.242 -3.719 182 HE1 PHE 29 1HE PHE 29 1.902 3.884 -1.661 183 HE2 PHE 29 2HE PHE 29 5.947 2.462 -1.587 184 HZ PHE 29 HZ PHE 29 4.172 3.875 -0.637 185 H ASP 30 H ASP 30 5.561 1.726 -8.024 186 HA ASP 30 HA ASP 30 4.081 0.252 -10.115 187 HB3 ASP 30 2HB ASP 30 6.639 0.032 -10.849 188 H GLU 31 H GLU 31 4.799 -1.917 -10.622 189 HA GLU 31 HA GLU 31 5.540 -3.512 -8.313 190 HB3 GLU 31 2HB GLU 31 5.299 -4.302 -11.248 191 HG3 GLU 31 2HG GLU 31 4.449 -5.845 -8.766 192 H ASP 32 H ASP 32 7.084 -2.287 -11.220 193 HA ASP 32 HA ASP 32 9.614 -3.715 -10.494 194 HB3 ASP 32 2HB ASP 32 9.380 -3.338 -13.355 195 H GLY 33 H GLY 33 8.395 -0.898 -10.303 196 HA2 GLY 33 1HA GLY 33 10.796 0.642 -11.180 197 HA3 GLY 33 2HA GLY 33 9.144 1.320 -11.169 198 H THR 34 H THR 34 9.102 2.717 -9.479 199 HA THR 34 HA THR 34 10.038 1.834 -6.767 200 HB THR 34 HB THR 34 10.789 4.171 -6.474 201 HG1 THR 34 1HG THR 34 10.773 4.456 -9.284 202 HG21 THR 34 3HG2 THR 34 12.161 2.697 -8.743 203 HG22 THR 34 1HG2 THR 34 12.373 2.375 -7.033 204 HG23 THR 34 2HG2 THR 34 12.907 3.906 -7.712 205 H GLY 35 H GLY 35 9.001 3.795 -5.219 206 HA2 GLY 35 1HA GLY 35 6.095 3.967 -5.798 207 HA3 GLY 35 2HA GLY 35 6.815 3.900 -4.184 208 H SER 36 H SER 36 5.106 5.976 -5.041 209 HA SER 36 HA SER 36 6.939 8.316 -4.815 210 HB3 SER 36 2HB SER 36 5.708 9.594 -6.368 211 HG SER 36 HG SER 36 6.157 7.012 -7.464 212 H PHE 37 H PHE 37 5.821 10.178 -3.919 213 HA PHE 37 HA PHE 37 3.354 9.794 -2.395 214 HB3 PHE 37 2HB PHE 37 6.038 10.321 -1.055 215 HD1 PHE 37 1HD PHE 37 2.383 9.773 -0.324 216 HD2 PHE 37 2HD PHE 37 6.173 11.211 1.111 217 HE1 PHE 37 1HE PHE 37 1.286 10.582 1.736 218 HE2 PHE 37 2HE PHE 37 5.086 12.037 3.162 219 HZ PHE 37 HZ PHE 37 2.638 11.705 3.511 220 H GLY 38 H GLY 38 2.301 11.798 -2.429 221 HA2 GLY 38 1HA GLY 38 3.889 14.266 -2.645 222 HA3 GLY 38 2HA GLY 38 2.787 13.900 -3.974 223 H ILE 39 H ILE 39 3.047 15.549 -1.139 224 HA ILE 39 HA ILE 39 0.311 15.248 -0.129 225 HB ILE 39 HB ILE 39 2.336 17.448 0.422 226 HG13 ILE 39 2HG1 ILE 39 2.951 14.957 1.103 227 HG21 ILE 39 1HG2 ILE 39 0.131 18.210 1.080 228 HG22 ILE 39 2HG2 ILE 39 -0.229 16.680 1.894 229 HG23 ILE 39 3HG2 ILE 39 0.988 17.803 2.539 230 HD11 ILE 39 3HD1 ILE 39 4.166 16.872 2.032 231 HD12 ILE 39 1HD1 ILE 39 2.923 17.048 3.289 232 HD13 ILE 39 2HD1 ILE 39 3.909 15.575 3.216 233 H TYR 40 H TYR 40 -1.380 16.801 -0.361 234 HA TYR 40 HA TYR 40 -1.073 18.859 -2.482 235 HB3 TYR 40 2HB TYR 40 -3.547 18.217 -2.907 236 HD1 TYR 40 2HD TYR 40 -0.897 15.490 -3.210 237 HD2 TYR 40 1HD TYR 40 -3.514 18.285 -5.177 238 HE1 TYR 40 2HE TYR 40 -0.278 14.515 -5.382 239 HE2 TYR 40 1HE TYR 40 -2.974 17.281 -7.350 240 HH TYR 40 HH TYR 40 -0.467 15.469 -8.073 241 H SER 41 H SER 41 -2.050 20.694 -1.971 242 HA SER 41 HA SER 41 -3.550 21.127 0.564 243 HB3 SER 41 2HB SER 41 -3.391 23.556 -0.542 244 HG SER 41 HG SER 41 -1.293 23.821 0.276 245 H ASN 42 H ASN 42 -5.732 21.276 0.224 246 HA ASN 42 HA ASN 42 -7.743 21.251 -0.777 247 HB3 ASN 42 2HB ASN 42 -6.845 23.845 -1.959 248 HD21 ASN 42 1HD2 ASN 42 -8.544 23.932 0.970 249 HD22 ASN 42 2HD2 ASN 42 -10.185 23.794 0.413 250 H ALA 43 H ALA 43 -6.096 22.862 -3.463 251 HA ALA 43 HA ALA 43 -6.392 20.539 -5.125 252 HB1 ALA 43 1HB ALA 43 -7.641 21.593 -6.973 253 HB2 ALA 43 2HB ALA 43 -8.629 21.526 -5.509 254 HB3 ALA 43 3HB ALA 43 -7.871 23.060 -6.000 255 H THR 44 H THR 44 -4.105 21.231 -4.396 256 HA THR 44 HA THR 44 -2.698 21.967 -6.807 257 HB THR 44 HB THR 44 -1.994 23.383 -4.193 258 HG1 THR 44 1HG THR 44 -3.148 25.031 -4.657 259 HG21 THR 44 3HG2 THR 44 -0.182 23.038 -5.948 260 HG22 THR 44 1HG2 THR 44 -0.548 24.733 -5.710 261 HG23 THR 44 2HG2 THR 44 -1.200 23.887 -7.125 262 HA PRO 45 HA PRO 45 -0.202 18.751 -4.616 263 HB3 PRO 45 2HB PRO 45 0.154 17.760 -6.664 264 HG3 PRO 45 2HG PRO 45 0.353 19.047 -8.651 265 HD3 PRO 45 2HD PRO 45 -1.671 19.757 -7.686 266 H ILE 46 H ILE 46 1.106 19.261 -2.924 267 HA ILE 46 HA ILE 46 3.079 21.481 -3.181 268 HB ILE 46 HB ILE 46 1.473 20.921 -0.704 269 HG13 ILE 46 2HG1 ILE 46 0.109 22.823 -1.095 270 HG21 ILE 46 1HG2 ILE 46 3.299 23.200 -1.570 271 HG22 ILE 46 2HG2 ILE 46 2.119 23.420 -0.262 272 HG23 ILE 46 3HG2 ILE 46 3.387 22.237 -0.087 273 HD11 ILE 46 3HD1 ILE 46 1.440 24.206 -2.659 274 HD12 ILE 46 1HD1 ILE 46 1.100 23.029 -3.950 275 HD13 ILE 46 2HD1 ILE 46 -0.220 23.932 -3.156 276 H SER 47 H SER 47 3.180 18.307 -3.161 277 HA SER 47 HA SER 47 5.858 18.572 -2.364 278 HB3 SER 47 2HB SER 47 4.185 16.713 -0.627 279 HG SER 47 HG SER 47 7.029 16.924 -0.750 280 H PHE 48 H PHE 48 7.018 16.586 -2.837 281 HA PHE 48 HA PHE 48 5.881 14.463 -4.385 282 HB3 PHE 48 2HB PHE 48 7.834 16.241 -5.905 283 HD1 PHE 48 2HD PHE 48 8.816 14.064 -6.804 284 HD2 PHE 48 1HD PHE 48 4.620 14.988 -7.136 285 HE1 PHE 48 2HE PHE 48 8.564 12.294 -8.510 286 HE2 PHE 48 1HE PHE 48 4.375 13.223 -8.852 287 HZ PHE 48 HZ PHE 48 6.344 11.872 -9.563 288 H GLN 49 H GLN 49 7.170 12.820 -3.746 289 HA GLN 49 HA GLN 49 10.077 13.044 -3.930 290 HB3 GLN 49 2HB GLN 49 9.831 13.409 -1.522 291 HG3 GLN 49 2HG GLN 49 8.183 10.851 -1.510 292 HE21 GLN 49 1HE2 GLN 49 9.734 9.705 -0.046 293 HE22 GLN 49 2HE2 GLN 49 9.790 10.208 1.618 294 H MET 50 H MET 50 11.001 10.663 -3.924 295 HA MET 50 HA MET 50 9.029 8.566 -4.392 296 HB3 MET 50 2HB MET 50 10.099 7.898 -6.488 297 HG3 MET 50 2HG MET 50 9.703 10.483 -7.022 298 HE1 MET 50 3HE MET 50 11.121 8.476 -10.105 299 HE2 MET 50 1HE MET 50 11.545 9.459 -8.683 300 HE3 MET 50 2HE MET 50 11.213 7.739 -8.511 301 H PHE 51 H PHE 51 10.068 6.430 -4.351 302 HA PHE 51 HA PHE 51 12.776 6.124 -3.305 303 HB3 PHE 51 2HB PHE 51 11.880 6.735 -1.221 304 HD1 PHE 51 1HD PHE 51 9.345 4.026 -1.575 305 HD2 PHE 51 2HD PHE 51 10.010 8.261 -1.282 306 HE1 PHE 51 1HE PHE 51 6.934 4.376 -1.081 307 HE2 PHE 51 2HE PHE 51 7.585 8.608 -0.794 308 HZ PHE 51 HZ PHE 51 6.047 6.652 -0.696 309 H ASP 52 H ASP 52 13.282 3.707 -3.248 310 HA ASP 52 HA ASP 52 11.428 2.154 -4.957 311 HB3 ASP 52 2HB ASP 52 13.767 0.910 -3.664 312 H TYR 53 H TYR 53 11.265 -0.250 -3.921 313 HA TYR 53 HA TYR 53 11.294 -0.301 -1.107 314 HB3 TYR 53 2HB TYR 53 9.062 0.868 -1.390 315 HD1 TYR 53 2HD TYR 53 8.588 0.901 -3.966 316 HD2 TYR 53 1HD TYR 53 7.532 -2.392 -1.403 317 HE1 TYR 53 2HE TYR 53 7.044 0.053 -5.713 318 HE2 TYR 53 1HE TYR 53 5.923 -3.215 -3.114 319 HH TYR 53 HH TYR 53 5.656 -1.692 -6.325 320 H LYS 54 H LYS 54 10.756 -2.480 -0.255 321 HA LYS 54 HA LYS 54 10.030 -4.484 -2.274 322 HB3 LYS 54 2HB LYS 54 11.546 -6.190 -1.275 323 HG3 LYS 54 2HG LYS 54 13.759 -5.218 -2.052 324 HD3 LYS 54 2HD LYS 54 11.316 -5.227 -3.857 325 HE3 LYS 54 2HE LYS 54 13.372 -5.255 -5.612 326 HZ1 LYS 54 3HZ LYS 54 13.058 -2.791 -5.853 327 HZ2 LYS 54 1HZ LYS 54 12.041 -2.808 -4.600 328 HZ3 LYS 54 2HZ LYS 54 11.640 -3.645 -5.934 329 H ILE 55 H ILE 55 9.035 -6.429 -1.278 330 HA ILE 55 HA ILE 55 7.914 -5.940 1.424 331 HB ILE 55 HB ILE 55 6.541 -7.354 -0.904 332 HG13 ILE 55 2HG1 ILE 55 5.095 -5.529 -1.253 333 HG21 ILE 55 1HG2 ILE 55 5.677 -8.199 1.153 334 HG22 ILE 55 2HG2 ILE 55 5.655 -6.599 1.911 335 HG23 ILE 55 3HG2 ILE 55 4.507 -6.991 0.625 336 HD11 ILE 55 3HD1 ILE 55 4.869 -4.534 0.982 337 HD12 ILE 55 1HD1 ILE 55 6.578 -4.072 0.950 338 HD13 ILE 55 2HD1 ILE 55 5.430 -3.300 -0.163 339 H GLU 56 H GLU 56 9.737 -7.081 2.299 340 HA GLU 56 HA GLU 56 10.009 -9.956 1.518 341 HB3 GLU 56 2HB GLU 56 12.112 -8.056 2.570 342 HG3 GLU 56 2HG GLU 56 12.386 -10.774 2.413 343 H GLU 57 H GLU 57 8.243 -8.814 3.511 344 HA GLU 57 HA GLU 57 8.773 -10.370 5.732 345 HB3 GLU 57 2HB GLU 57 8.782 -7.665 6.669 346 HG3 GLU 57 2HG GLU 57 10.490 -9.957 7.655 347 H GLY 58 H GLY 58 6.626 -9.214 3.854 348 HA2 GLY 58 1HA GLY 58 4.278 -8.829 4.036 349 HA3 GLY 58 2HA GLY 58 4.403 -9.325 5.727 350 H ARG 59 H ARG 59 6.593 -6.808 4.887 351 HA ARG 59 HA ARG 59 4.817 -4.574 5.567 352 HB3 ARG 59 2HB ARG 59 6.656 -3.705 7.113 353 HG3 ARG 59 2HG ARG 59 5.303 -6.274 8.066 354 HD3 ARG 59 2HD ARG 59 6.246 -3.757 9.470 355 HE ARG 59 HE ARG 59 3.957 -5.283 10.136 356 HH11 ARG 59 1HH1 ARG 59 6.919 -4.007 11.709 357 HH12 ARG 59 2HH1 ARG 59 6.199 -3.994 13.269 358 HH21 ARG 59 1HH2 ARG 59 2.961 -4.900 12.168 359 HH22 ARG 59 2HH2 ARG 59 3.903 -4.291 13.498 360 H ILE 60 H ILE 60 6.370 -2.483 5.156 361 HA ILE 60 HA ILE 60 7.437 -2.970 2.453 362 HB ILE 60 HB ILE 60 7.484 -0.304 3.853 363 HG13 ILE 60 2HG1 ILE 60 5.153 -1.060 4.020 364 HG21 ILE 60 1HG2 ILE 60 7.256 -1.113 0.920 365 HG22 ILE 60 2HG2 ILE 60 7.377 0.551 1.502 366 HG23 ILE 60 3HG2 ILE 60 8.732 -0.490 1.698 367 HD11 ILE 60 3HD1 ILE 60 5.606 1.355 3.542 368 HD12 ILE 60 1HD1 ILE 60 5.360 1.030 1.816 369 HD13 ILE 60 2HD1 ILE 60 4.045 0.756 2.968 370 H TYR 61 H TYR 61 9.610 -2.144 1.960 371 HA TYR 61 HA TYR 61 11.456 -1.654 4.202 372 HB3 TYR 61 2HB TYR 61 11.862 -3.542 1.843 373 HD1 TYR 61 1HD TYR 61 13.644 -1.840 4.731 374 HD2 TYR 61 2HD TYR 61 13.970 -4.111 1.061 375 HE1 TYR 61 1HE TYR 61 16.100 -1.764 4.907 376 HE2 TYR 61 2HE TYR 61 16.423 -4.028 1.242 377 HH TYR 61 HH TYR 61 17.923 -3.933 3.382 378 H ILE 62 H ILE 62 11.907 0.572 3.735 379 HA ILE 62 HA ILE 62 12.190 1.472 0.930 380 HB ILE 62 HB ILE 62 12.189 3.083 3.533 381 HG13 ILE 62 2HG1 ILE 62 9.985 3.937 3.006 382 HG21 ILE 62 1HG2 ILE 62 13.344 4.287 1.824 383 HG22 ILE 62 2HG2 ILE 62 12.110 3.896 0.616 384 HG23 ILE 62 3HG2 ILE 62 11.740 5.014 1.943 385 HD11 ILE 62 3HD1 ILE 62 9.756 3.365 0.584 386 HD12 ILE 62 1HD1 ILE 62 9.725 1.644 1.009 387 HD13 ILE 62 2HD1 ILE 62 8.427 2.717 1.576 388 H TYR 63 H TYR 63 14.343 2.121 0.345 389 HA TYR 63 HA TYR 63 16.370 2.280 2.467 390 HB3 TYR 63 2HB TYR 63 16.510 -0.010 2.054 391 HD1 TYR 63 1HD TYR 63 17.517 0.794 -1.458 392 HD2 TYR 63 2HD TYR 63 14.568 -1.079 1.042 393 HE1 TYR 63 1HE TYR 63 16.703 -0.449 -3.385 394 HE2 TYR 63 2HE TYR 63 13.665 -2.273 -0.914 395 HH TYR 63 HH TYR 63 14.837 -1.681 -4.237 396 H ASP 64 H ASP 64 15.113 3.760 -0.316 397 HA ASP 64 HA ASP 64 17.496 5.221 -0.943 398 HB3 ASP 64 2HB ASP 64 17.889 3.693 -2.597 399 H VAL 65 H VAL 65 16.747 7.179 -0.781 400 HA VAL 65 HA VAL 65 14.008 7.821 -1.727 401 HB VAL 65 HB VAL 65 15.210 9.131 0.735 402 HG11 VAL 65 1HG1 VAL 65 12.859 9.695 1.206 403 HG12 VAL 65 2HG1 VAL 65 13.267 10.226 -0.420 404 HG13 VAL 65 3HG1 VAL 65 12.320 8.761 -0.207 405 HG21 VAL 65 3HG2 VAL 65 13.426 6.659 0.745 406 HG22 VAL 65 1HG2 VAL 65 15.080 6.782 1.393 407 HG23 VAL 65 2HG2 VAL 65 13.786 7.691 2.155 408 H TYR 66 H TYR 66 13.759 9.849 -2.603 409 HA TYR 66 HA TYR 66 15.921 11.819 -2.665 410 HB3 TYR 66 2HB TYR 66 15.495 10.050 -4.866 411 HD1 TYR 66 1HD TYR 66 12.853 10.682 -5.280 412 HD2 TYR 66 2HD TYR 66 16.282 13.014 -6.447 413 HE1 TYR 66 1HE TYR 66 11.446 11.946 -6.903 414 HE2 TYR 66 2HE TYR 66 14.915 14.212 -8.106 415 HH TYR 66 HH TYR 66 11.672 13.310 -8.915 416 HA PRO 67 HA PRO 67 15.797 13.813 -4.175 417 HB3 PRO 67 2HB PRO 67 14.599 15.627 -4.965 418 HG3 PRO 67 2HG PRO 67 12.782 16.578 -3.705 419 HD3 PRO 67 2HD PRO 67 12.204 14.311 -3.985 420 H ASP 68 H ASP 68 14.566 13.918 -0.945 421 HA ASP 68 HA ASP 68 17.184 14.666 0.218 422 HB3 ASP 68 2HB ASP 68 15.070 13.857 2.092 423 H GLU 69 H GLU 69 18.566 12.942 0.603 424 HA GLU 69 HA GLU 69 17.526 10.224 0.374 425 HB3 GLU 69 2HB GLU 69 19.607 10.627 -0.650 426 HG3 GLU 69 2HG GLU 69 20.506 11.727 1.996 427 H LYS 70 H LYS 70 17.375 8.706 2.026 428 HA LYS 70 HA LYS 70 17.793 9.611 4.820 429 HB3 LYS 70 2HB LYS 70 15.610 8.658 5.427 430 HG3 LYS 70 2HG LYS 70 14.552 10.278 3.214 431 HD3 LYS 70 2HD LYS 70 13.515 9.899 5.488 432 HE3 LYS 70 2HE LYS 70 15.776 10.307 6.663 433 HZ1 LYS 70 3HZ LYS 70 16.390 12.446 7.167 434 HZ2 LYS 70 1HZ LYS 70 14.934 13.120 6.804 435 HZ3 LYS 70 2HZ LYS 70 15.973 12.630 5.622 436 H THR 71 H THR 71 17.860 7.931 6.337 437 HA THR 71 HA THR 71 19.164 5.518 5.781 438 HB THR 71 HB THR 71 19.038 6.924 7.858 439 HG1 THR 71 1HG THR 71 18.519 4.473 8.879 440 HG21 THR 71 3HG2 THR 71 16.549 7.033 7.966 441 HG22 THR 71 1HG2 THR 71 17.305 6.490 9.477 442 HG23 THR 71 2HG2 THR 71 16.532 5.315 8.393 443 HA PRO 72 HA PRO 72 15.798 2.819 4.593 444 HB3 PRO 72 2HB PRO 72 17.503 1.311 3.897 445 HG3 PRO 72 2HG PRO 72 19.449 0.989 5.197 446 HD3 PRO 72 2HD PRO 72 19.296 3.294 4.734 447 H TYR 73 H TYR 73 14.108 1.430 5.493 448 HA TYR 73 HA TYR 73 14.203 0.350 8.127 449 HB3 TYR 73 2HB TYR 73 13.926 2.438 9.109 450 HD1 TYR 73 1HD TYR 73 10.738 2.603 7.130 451 HD2 TYR 73 2HD TYR 73 14.481 4.508 8.074 452 HE1 TYR 73 1HE TYR 73 9.954 4.728 6.079 453 HE2 TYR 73 2HE TYR 73 13.673 6.632 7.104 454 HH TYR 73 HH TYR 73 11.436 7.173 5.188 455 H TYR 74 H TYR 74 11.826 -0.348 8.816 456 HA TYR 74 HA TYR 74 10.468 -1.405 6.392 457 HB3 TYR 74 2HB TYR 74 9.819 -3.303 7.918 458 HD1 TYR 74 2HD TYR 74 13.496 -2.480 8.069 459 HD2 TYR 74 1HD TYR 74 10.372 -4.854 6.289 460 HE1 TYR 74 2HE TYR 74 15.201 -3.728 6.780 461 HE2 TYR 74 1HE TYR 74 12.089 -6.121 4.972 462 HH TYR 74 HH TYR 74 14.421 -5.809 4.128 463 H LEU 75 H LEU 75 8.754 -0.077 6.184 464 HA LEU 75 HA LEU 75 7.307 1.104 8.422 465 HB3 LEU 75 2HB LEU 75 5.821 1.960 6.556 466 HG LEU 75 HG LEU 75 8.775 2.524 6.068 467 HD11 LEU 75 1HD1 LEU 75 7.187 3.202 4.226 468 HD12 LEU 75 2HD1 LEU 75 8.053 4.549 4.982 469 HD13 LEU 75 3HD1 LEU 75 6.367 4.250 5.407 470 HD21 LEU 75 3HD2 LEU 75 8.332 3.120 8.357 471 HD22 LEU 75 1HD2 LEU 75 6.732 3.747 7.935 472 HD23 LEU 75 2HD2 LEU 75 8.186 4.627 7.449 473 H ASP 76 H ASP 76 5.486 0.470 9.245 474 HA ASP 76 HA ASP 76 4.351 -2.113 8.464 475 HB3 ASP 76 2HB ASP 76 4.489 -2.247 10.613 476 H CYS 77 H CYS 77 2.485 -2.354 7.409 477 HA CYS 77 HA CYS 77 0.350 -0.470 7.537 478 HB3 CYS 77 2HB CYS 77 1.333 0.614 5.645 479 HG CYS 77 HG CYS 77 3.374 -0.772 5.168 480 H LYS 78 H LYS 78 -1.547 -1.392 6.405 481 HA LYS 78 HA LYS 78 -1.428 -4.325 5.927 482 HB3 LYS 78 2HB LYS 78 -3.556 -4.509 7.047 483 HG3 LYS 78 2HG LYS 78 -1.139 -4.213 8.377 484 HD3 LYS 78 2HD LYS 78 -2.246 -1.940 9.256 485 HE3 LYS 78 2HE LYS 78 -3.515 -4.196 10.874 486 HZ1 LYS 78 3HZ LYS 78 -3.718 -1.332 11.598 487 HZ2 LYS 78 1HZ LYS 78 -2.608 -2.322 12.253 488 HZ3 LYS 78 2HZ LYS 78 -4.185 -2.636 12.467 489 H ILE 79 H ILE 79 -3.157 -5.078 4.456 490 HA ILE 79 HA ILE 79 -4.643 -3.051 2.984 491 HB ILE 79 HB ILE 79 -2.280 -3.302 1.990 492 HG13 ILE 79 2HG1 ILE 79 -4.300 -2.342 0.835 493 HG21 ILE 79 1HG2 ILE 79 -1.732 -5.240 0.710 494 HG22 ILE 79 2HG2 ILE 79 -2.190 -5.810 2.306 495 HG23 ILE 79 3HG2 ILE 79 -3.323 -5.963 0.955 496 HD11 ILE 79 3HD1 ILE 79 -2.523 -1.976 -0.590 497 HD12 ILE 79 1HD1 ILE 79 -2.147 -3.690 -0.810 498 HD13 ILE 79 2HD1 ILE 79 -3.538 -3.001 -1.604 499 H SER 80 H SER 80 -6.480 -4.010 2.007 500 HA SER 80 HA SER 80 -6.964 -6.956 2.371 501 HB3 SER 80 2HB SER 80 -9.289 -6.250 3.111 502 HG SER 80 HG SER 80 -8.455 -5.596 5.227 503 H GLY 81 H GLY 81 -7.080 -4.376 0.210 504 HA2 GLY 81 1HA GLY 81 -8.104 -5.530 -2.036 505 HA3 GLY 81 2HA GLY 81 -9.547 -4.951 -1.167 506 H THR 82 H THR 82 -9.721 -2.628 -0.690 507 HA THR 82 HA THR 82 -7.992 -0.989 -2.477 508 HB THR 82 HB THR 82 -9.948 0.330 -3.035 509 HG1 THR 82 1HG THR 82 -11.609 -1.684 -1.947 510 HG21 THR 82 3HG2 THR 82 -9.279 -1.503 -4.517 511 HG22 THR 82 1HG2 THR 82 -11.044 -1.318 -4.505 512 HG23 THR 82 2HG2 THR 82 -10.298 -2.650 -3.614 513 H THR 83 H THR 83 -8.854 -1.267 0.845 514 HA THR 83 HA THR 83 -8.224 1.573 1.327 515 HB THR 83 HB THR 83 -8.891 -0.718 3.149 516 HG1 THR 83 1HG THR 83 -10.945 0.179 3.116 517 HG21 THR 83 3HG2 THR 83 -7.682 1.146 4.362 518 HG22 THR 83 1HG2 THR 83 -9.349 0.960 4.896 519 HG23 THR 83 2HG2 THR 83 -8.915 2.286 3.775 520 H LEU 84 H LEU 84 -5.967 2.096 1.423 521 HA LEU 84 HA LEU 84 -4.037 0.029 2.412 522 HB3 LEU 84 2HB LEU 84 -3.658 2.879 1.449 523 HG LEU 84 HG LEU 84 -1.874 2.341 3.042 524 HD11 LEU 84 1HD1 LEU 84 -1.430 -0.064 1.235 525 HD12 LEU 84 2HD1 LEU 84 -1.810 -0.093 2.975 526 HD13 LEU 84 3HD1 LEU 84 -0.246 0.516 2.441 527 HD21 LEU 84 3HD2 LEU 84 -1.394 3.719 1.055 528 HD22 LEU 84 1HD2 LEU 84 -0.986 2.260 0.122 529 HD23 LEU 84 2HD2 LEU 84 0.012 2.751 1.510 530 H LYS 85 H LYS 85 -3.931 -0.159 4.632 531 HA LYS 85 HA LYS 85 -4.375 2.293 6.344 532 HB3 LYS 85 2HB LYS 85 -4.469 -0.731 6.889 533 HG3 LYS 85 2HG LYS 85 -4.180 1.482 8.807 534 HD3 LYS 85 2HD LYS 85 -5.820 0.295 10.435 535 HE3 LYS 85 2HE LYS 85 -7.791 1.642 9.445 536 HZ1 LYS 85 3HZ LYS 85 -6.404 2.521 11.165 537 HZ2 LYS 85 1HZ LYS 85 -6.834 3.695 10.121 538 HZ3 LYS 85 2HZ LYS 85 -5.296 3.096 10.083 539 H VAL 86 H VAL 86 -2.476 3.342 6.559 540 HA VAL 86 HA VAL 86 -0.006 1.780 6.808 541 HB VAL 86 HB VAL 86 -0.411 4.781 6.840 542 HG11 VAL 86 1HG1 VAL 86 1.957 2.954 6.292 543 HG12 VAL 86 2HG1 VAL 86 1.980 4.721 6.093 544 HG13 VAL 86 3HG1 VAL 86 1.729 4.012 7.690 545 HG21 VAL 86 3HG2 VAL 86 0.263 4.620 4.384 546 HG22 VAL 86 1HG2 VAL 86 -0.160 2.902 4.499 547 HG23 VAL 86 2HG2 VAL 86 -1.394 4.121 4.773 548 H GLU 87 H GLU 87 1.032 1.322 8.829 549 HA GLU 87 HA GLU 87 -0.377 2.228 11.220 550 HB3 GLU 87 2HB GLU 87 1.321 0.688 12.240 551 HG3 GLU 87 2HG GLU 87 0.123 -1.296 11.041 552 H THR 88 H THR 88 2.839 2.626 9.520 553 HA THR 88 HA THR 88 3.330 5.053 11.114 554 HB THR 88 HB THR 88 4.245 2.944 12.270 555 HG1 THR 88 1HG THR 88 4.850 4.869 12.942 556 HG21 THR 88 3HG2 THR 88 6.293 2.013 11.503 557 HG22 THR 88 1HG2 THR 88 6.489 3.233 10.237 558 HG23 THR 88 2HG2 THR 88 5.212 1.988 10.127 559 H GLY 89 H GLY 89 5.487 6.037 10.351 560 HA2 GLY 89 1HA GLY 89 7.003 6.417 8.568 561 HA3 GLY 89 2HA GLY 89 5.825 5.768 7.404 562 H SER 90 H SER 90 6.772 8.031 6.656 563 HA SER 90 HA SER 90 5.507 10.435 7.397 564 HB3 SER 90 2HB SER 90 6.068 10.980 5.038 565 HG SER 90 HG SER 90 8.115 9.465 6.395 566 H GLU 91 H GLU 91 4.407 7.610 5.549 567 HA GLU 91 HA GLU 91 2.015 8.971 4.673 568 HB3 GLU 91 2HB GLU 91 1.576 7.147 3.324 569 HG3 GLU 91 2HG GLU 91 4.004 8.188 2.926 570 H ALA 92 H ALA 92 2.614 7.785 7.550 571 HA ALA 92 HA ALA 92 0.702 5.960 8.337 572 HB1 ALA 92 1HB ALA 92 0.828 6.880 10.602 573 HB2 ALA 92 2HB ALA 92 2.426 6.774 9.857 574 HB3 ALA 92 3HB ALA 92 1.614 8.346 9.985 575 H GLY 93 H GLY 93 -1.371 5.922 7.744 576 HA2 GLY 93 1HA GLY 93 -3.435 7.700 8.476 577 HA3 GLY 93 2HA GLY 93 -2.813 8.177 6.888 578 H THR 94 H THR 94 -5.075 7.483 6.228 579 HA THR 94 HA THR 94 -4.921 4.702 5.335 580 HB THR 94 HB THR 94 -6.293 4.612 7.327 581 HG1 THR 94 1HG THR 94 -7.959 3.541 6.410 582 HG21 THR 94 3HG2 THR 94 -7.087 6.952 7.420 583 HG22 THR 94 1HG2 THR 94 -8.424 5.792 7.525 584 HG23 THR 94 2HG2 THR 94 -8.123 6.657 6.002 585 H TYR 95 H TYR 95 -5.947 4.365 3.352 586 HA TYR 95 HA TYR 95 -6.614 6.766 1.716 587 HB3 TYR 95 2HB TYR 95 -4.849 6.108 0.088 588 HD1 TYR 95 2HD TYR 95 -4.497 8.492 1.083 589 HD2 TYR 95 1HD TYR 95 -2.894 4.947 2.909 590 HE1 TYR 95 2HE TYR 95 -3.169 9.908 2.635 591 HE2 TYR 95 1HE TYR 95 -1.523 6.322 4.404 592 HH TYR 95 HH TYR 95 -0.862 8.408 4.933 593 H LYS 96 H LYS 96 -7.362 6.136 -0.457 594 HA LYS 96 HA LYS 96 -8.477 3.400 -0.594 595 HB3 LYS 96 2HB LYS 96 -9.767 5.665 -2.102 596 HG3 LYS 96 2HG LYS 96 -10.402 3.146 -2.153 597 HD3 LYS 96 2HD LYS 96 -10.415 3.267 0.591 598 HE3 LYS 96 2HE LYS 96 -12.719 3.215 1.380 599 HZ1 LYS 96 3HZ LYS 96 -11.785 5.507 1.284 600 HZ2 LYS 96 1HZ LYS 96 -13.397 5.453 1.142 601 HZ3 LYS 96 2HZ LYS 96 -12.486 5.716 -0.196 602 H LYS 97 H LYS 97 -8.133 2.320 -2.488 603 HA LYS 97 HA LYS 97 -6.002 2.997 -4.212 604 HB3 LYS 97 2HB LYS 97 -8.274 1.108 -4.949 605 HG3 LYS 97 2HG LYS 97 -5.246 1.136 -5.260 606 HD3 LYS 97 2HD LYS 97 -7.150 -0.778 -6.671 607 HE3 LYS 97 2HE LYS 97 -4.200 -0.556 -6.012 608 HZ1 LYS 97 3HZ LYS 97 -3.836 -2.422 -7.389 609 HZ2 LYS 97 1HZ LYS 97 -5.424 -2.545 -7.825 610 HZ3 LYS 97 2HZ LYS 97 -4.942 -2.854 -6.265 611 H GLN 98 H GLN 98 -5.939 3.837 -6.291 612 HA GLN 98 HA GLN 98 -8.396 4.997 -7.509 613 HB3 GLN 98 2HB GLN 98 -7.077 6.929 -8.187 614 HG3 GLN 98 2HG GLN 98 -6.351 7.917 -6.010 615 HE21 GLN 98 1HE2 GLN 98 -8.979 5.751 -4.959 616 HE22 GLN 98 2HE2 GLN 98 -10.252 6.901 -5.188 617 H LYS 99 H LYS 99 -7.405 2.475 -7.941 618 HA LYS 99 HA LYS 99 -7.416 2.418 -10.695 619 HB3 LYS 99 2HB LYS 99 -5.538 0.527 -10.690 620 HG3 LYS 99 2HG LYS 99 -4.576 3.395 -10.782 621 HD3 LYS 99 2HD LYS 99 -2.864 1.683 -11.108 622 HE3 LYS 99 2HE LYS 99 -4.691 0.142 -12.446 623 HZ1 LYS 99 3HZ LYS 99 -3.995 -0.038 -14.682 624 HZ2 LYS 99 1HZ LYS 99 -2.886 1.141 -14.570 625 HZ3 LYS 99 2HZ LYS 99 -4.486 1.525 -14.478 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -8.234 -8.850 17.414 2 HA2 GLY 1 1HA GLY 1 -8.801 -6.534 16.848 3 HA3 GLY 1 2HA GLY 1 -7.222 -7.000 16.165 4 H GLU 2 H GLU 2 -7.156 -7.698 13.869 5 HA GLU 2 HA GLU 2 -9.494 -6.948 12.211 6 HB3 GLU 2 2HB GLU 2 -8.079 -5.609 10.786 7 HG3 GLU 2 2HG GLU 2 -8.038 -4.583 13.641 8 H ASP 3 H ASP 3 -9.205 -7.716 9.999 9 HA ASP 3 HA ASP 3 -7.566 -10.199 9.799 10 HB3 ASP 3 2HB ASP 3 -9.478 -11.133 8.501 11 H TRP 4 H TRP 4 -6.076 -9.351 8.514 12 HA TRP 4 HA TRP 4 -6.879 -7.987 5.958 13 HB3 TRP 4 2HB TRP 4 -4.571 -6.951 6.105 14 HD1 TRP 4 HD TRP 4 -6.096 -6.366 9.565 15 HE1 TRP 4 1HE TRP 4 -7.268 -4.041 9.599 16 HE3 TRP 4 3HE TRP 4 -5.721 -5.270 4.724 17 HZ2 TRP 4 2HZ TRP 4 -8.183 -2.059 7.562 18 HZ3 TRP 4 3HZ TRP 4 -6.677 -3.130 3.736 19 HH2 TRP 4 HH TRP 4 -7.911 -1.591 5.225 20 H THR 5 H THR 5 -5.576 -8.474 4.014 21 HA THR 5 HA THR 5 -4.609 -11.223 3.990 22 HB THR 5 HB THR 5 -4.088 -10.590 1.565 23 HG1 THR 5 1HG THR 5 -4.612 -8.162 2.220 24 HG21 THR 5 3HG2 THR 5 -6.063 -11.899 2.247 25 HG22 THR 5 1HG2 THR 5 -6.375 -10.895 0.847 26 HG23 THR 5 2HG2 THR 5 -6.999 -10.403 2.447 27 H GLU 6 H GLU 6 -2.480 -11.590 2.890 28 HA GLU 6 HA GLU 6 -0.390 -10.209 4.332 29 HB3 GLU 6 2HB GLU 6 1.015 -11.364 2.392 30 HG3 GLU 6 2HG GLU 6 1.028 -11.879 4.848 31 H LEU 7 H LEU 7 0.683 -8.431 3.728 32 HA LEU 7 HA LEU 7 0.131 -6.977 1.380 33 HB3 LEU 7 2HB LEU 7 2.696 -6.419 2.713 34 HG LEU 7 HG LEU 7 -0.009 -5.313 2.388 35 HD11 LEU 7 1HD1 LEU 7 1.892 -4.172 4.439 36 HD12 LEU 7 2HD1 LEU 7 0.403 -5.004 4.817 37 HD13 LEU 7 3HD1 LEU 7 0.348 -3.438 3.928 38 HD21 LEU 7 3HD2 LEU 7 0.965 -3.355 1.791 39 HD22 LEU 7 1HD2 LEU 7 1.647 -4.759 0.857 40 HD23 LEU 7 2HD2 LEU 7 2.595 -3.992 2.185 41 H ASN 8 H ASN 8 1.103 -7.017 -0.466 42 HA ASN 8 HA ASN 8 3.672 -8.189 -0.538 43 HB3 ASN 8 2HB ASN 8 3.358 -9.862 -2.170 44 HD21 ASN 8 1HD2 ASN 8 2.307 -10.528 0.093 45 HD22 ASN 8 2HD2 ASN 8 0.740 -11.308 -0.021 46 H SER 9 H SER 9 4.822 -7.644 -2.629 47 HA SER 9 HA SER 9 4.499 -4.954 -3.442 48 HB3 SER 9 2HB SER 9 5.582 -6.999 -5.344 49 HG SER 9 HG SER 9 6.468 -5.198 -5.960 50 H ASN 10 H ASN 10 3.181 -8.028 -4.820 51 HA ASN 10 HA ASN 10 1.915 -6.809 -7.094 52 HB3 ASN 10 2HB ASN 10 0.347 -8.757 -7.002 53 HD21 ASN 10 1HD2 ASN 10 3.428 -8.072 -8.033 54 HD22 ASN 10 2HD2 ASN 10 3.825 -9.702 -8.465 55 H ASN 11 H ASN 11 1.048 -6.705 -3.711 56 HA ASN 11 HA ASN 11 -1.805 -6.346 -4.258 57 HB3 ASN 11 2HB ASN 11 -1.225 -5.796 -1.509 58 HD21 ASN 11 1HD2 ASN 11 -1.427 -8.537 -0.434 59 HD22 ASN 11 2HD2 ASN 11 -2.956 -9.058 -1.005 60 H ILE 12 H ILE 12 1.010 -4.261 -3.612 61 HA ILE 12 HA ILE 12 -0.705 -2.091 -2.661 62 HB ILE 12 HB ILE 12 1.362 -2.699 -1.560 63 HG13 ILE 12 2HG1 ILE 12 1.159 0.135 -2.580 64 HG21 ILE 12 1HG2 ILE 12 3.576 -2.066 -2.488 65 HG22 ILE 12 2HG2 ILE 12 2.806 -3.393 -3.329 66 HG23 ILE 12 3HG2 ILE 12 2.813 -1.774 -4.061 67 HD11 ILE 12 3HD1 ILE 12 0.738 0.561 -0.190 68 HD12 ILE 12 1HD1 ILE 12 -0.493 -0.481 -0.895 69 HD13 ILE 12 2HD1 ILE 12 0.775 -1.182 0.164 70 H ILE 13 H ILE 13 0.132 -3.166 -5.703 71 HA ILE 13 HA ILE 13 0.927 -0.882 -7.079 72 HB ILE 13 HB ILE 13 -0.733 -3.189 -8.164 73 HG13 ILE 13 2HG1 ILE 13 1.463 -4.275 -8.633 74 HG21 ILE 13 1HG2 ILE 13 1.295 -1.361 -9.527 75 HG22 ILE 13 2HG2 ILE 13 0.557 -2.804 -10.249 76 HG23 ILE 13 3HG2 ILE 13 -0.461 -1.430 -9.810 77 HD11 ILE 13 3HD1 ILE 13 2.893 -2.188 -8.161 78 HD12 ILE 13 1HD1 ILE 13 2.571 -2.428 -6.444 79 HD13 ILE 13 2HD1 ILE 13 3.428 -3.669 -7.332 80 H GLY 14 H GLY 14 -0.089 1.014 -7.258 81 HA2 GLY 14 1HA GLY 14 -2.281 1.572 -8.726 82 HA3 GLY 14 2HA GLY 14 -2.995 1.233 -7.129 83 H TYR 15 H TYR 15 -3.429 3.681 -7.987 84 HA TYR 15 HA TYR 15 -1.608 5.482 -6.496 85 HB3 TYR 15 2HB TYR 15 -3.629 7.061 -7.133 86 HD1 TYR 15 2HD TYR 15 -1.339 5.175 -9.544 87 HD2 TYR 15 1HD TYR 15 -2.663 8.971 -7.981 88 HE1 TYR 15 2HE TYR 15 0.356 6.358 -10.909 89 HE2 TYR 15 1HE TYR 15 -0.996 10.131 -9.331 90 HH TYR 15 HH TYR 15 0.863 9.881 -10.681 91 H TRP 16 H TRP 16 -2.431 6.458 -4.563 92 HA TRP 16 HA TRP 16 -4.844 5.207 -3.278 93 HB3 TRP 16 2HB TRP 16 -3.572 4.935 -1.242 94 HD1 TRP 16 HD TRP 16 -0.702 3.961 -3.491 95 HE1 TRP 16 1HE TRP 16 -0.684 1.416 -3.847 96 HE3 TRP 16 3HE TRP 16 -5.147 2.774 -1.251 97 HZ2 TRP 16 2HZ TRP 16 -2.469 -0.805 -3.424 98 HZ3 TRP 16 3HZ TRP 16 -5.917 0.350 -1.202 99 HH2 TRP 16 HH TRP 16 -4.645 -1.341 -2.331 100 H SER 17 H SER 17 -6.158 6.788 -2.451 101 HA SER 17 HA SER 17 -4.904 9.263 -1.443 102 HB3 SER 17 2HB SER 17 -7.488 9.334 -3.028 103 HG SER 17 HG SER 17 -6.697 11.606 -3.045 104 H THR 18 H THR 18 -6.553 10.422 -0.150 105 HA THR 18 HA THR 18 -8.204 8.570 1.521 106 HB THR 18 HB THR 18 -5.984 8.895 2.499 107 HG1 THR 18 1HG THR 18 -7.369 8.461 3.976 108 HG21 THR 18 3HG2 THR 18 -5.427 11.184 1.743 109 HG22 THR 18 1HG2 THR 18 -5.270 11.003 3.494 110 HG23 THR 18 2HG2 THR 18 -6.685 11.834 2.821 111 H GLY 19 H GLY 19 -8.200 11.430 -0.365 112 HA2 GLY 19 1HA GLY 19 -10.718 12.217 -0.319 113 HA3 GLY 19 2HA GLY 19 -10.152 12.869 1.239 114 H ILE 20 H ILE 20 -10.842 14.810 -0.381 115 HA ILE 20 HA ILE 20 -8.320 15.829 -1.584 116 HB ILE 20 HB ILE 20 -9.600 16.769 -3.461 117 HG13 ILE 20 2HG1 ILE 20 -11.842 16.839 -2.452 118 HG21 ILE 20 1HG2 ILE 20 -8.339 14.608 -3.565 119 HG22 ILE 20 2HG2 ILE 20 -9.862 13.741 -3.289 120 HG23 ILE 20 3HG2 ILE 20 -9.644 14.734 -4.749 121 HD11 ILE 20 3HD1 ILE 20 -11.687 16.647 -4.981 122 HD12 ILE 20 1HD1 ILE 20 -11.992 14.904 -4.782 123 HD13 ILE 20 2HD1 ILE 20 -13.209 16.074 -4.261 124 H GLU 21 H GLU 21 -10.910 16.494 0.606 125 HA GLU 21 HA GLU 21 -10.756 19.398 0.345 126 HB3 GLU 21 2HB GLU 21 -11.693 19.250 2.739 127 HG3 GLU 21 2HG GLU 21 -12.879 18.507 0.160 128 H GLY 22 H GLY 22 -9.609 20.869 1.736 129 HA2 GLY 22 1HA GLY 22 -8.247 21.532 3.429 130 HA3 GLY 22 2HA GLY 22 -8.166 19.844 3.940 131 H THR 23 H THR 23 -6.098 18.886 3.692 132 HA THR 23 HA THR 23 -4.497 19.526 1.351 133 HB THR 23 HB THR 23 -3.504 19.819 4.214 134 HG1 THR 23 1HG THR 23 -2.801 21.625 2.264 135 HG21 THR 23 3HG2 THR 23 -1.234 20.169 3.328 136 HG22 THR 23 1HG2 THR 23 -1.792 19.729 1.692 137 HG23 THR 23 2HG2 THR 23 -1.794 18.528 2.997 138 H HIS 24 H HIS 24 -4.391 17.400 0.423 139 HA HIS 24 HA HIS 24 -4.536 15.149 2.323 140 HB3 HIS 24 2HB HIS 24 -6.446 15.466 0.800 141 HD1 HIS 24 1HD HIS 24 -6.240 17.311 -1.286 142 HD2 HIS 24 2HD HIS 24 -4.355 13.600 -1.730 143 HE1 HIS 24 1HE HIS 24 -5.926 16.978 -3.787 144 H LYS 25 H LYS 25 -3.638 13.133 1.113 145 HA LYS 25 HA LYS 25 -0.821 13.647 0.308 146 HB3 LYS 25 2HB LYS 25 -0.600 11.433 1.838 147 HG3 LYS 25 2HG LYS 25 -0.746 14.311 2.823 148 HD3 LYS 25 2HD LYS 25 0.229 11.890 4.409 149 HE3 LYS 25 2HE LYS 25 0.535 14.895 4.861 150 HZ1 LYS 25 3HZ LYS 25 0.396 14.248 7.039 151 HZ2 LYS 25 1HZ LYS 25 1.957 13.827 6.761 152 HZ3 LYS 25 2HZ LYS 25 0.817 12.676 6.763 153 H LEU 26 H LEU 26 -0.102 12.242 -1.351 154 HA LEU 26 HA LEU 26 -2.069 10.254 -2.364 155 HB3 LEU 26 2HB LEU 26 -0.216 11.644 -4.255 156 HG LEU 26 HG LEU 26 -2.127 11.896 -5.686 157 HD11 LEU 26 1HD1 LEU 26 -1.185 9.646 -5.765 158 HD12 LEU 26 2HD1 LEU 26 -2.947 9.619 -5.997 159 HD13 LEU 26 3HD1 LEU 26 -2.276 9.117 -4.461 160 HD21 LEU 26 3HD2 LEU 26 -3.765 12.572 -3.999 161 HD22 LEU 26 1HD2 LEU 26 -3.874 10.916 -3.385 162 HD23 LEU 26 2HD2 LEU 26 -4.409 11.297 -5.034 163 H LEU 27 H LEU 27 -1.048 8.316 -3.270 164 HA LEU 27 HA LEU 27 1.874 8.072 -3.166 165 HB3 LEU 27 2HB LEU 27 1.536 5.654 -2.384 166 HG LEU 27 HG LEU 27 0.922 7.639 -0.189 167 HD11 LEU 27 1HD1 LEU 27 2.269 4.944 0.134 168 HD12 LEU 27 2HD1 LEU 27 0.513 5.114 0.248 169 HD13 LEU 27 3HD1 LEU 27 1.588 6.008 1.361 170 HD21 LEU 27 3HD2 LEU 27 3.066 8.157 -1.226 171 HD22 LEU 27 1HD2 LEU 27 3.602 6.477 -1.051 172 HD23 LEU 27 2HD2 LEU 27 3.317 7.484 0.383 173 H SER 28 H SER 28 2.558 6.304 -4.647 174 HA SER 28 HA SER 28 0.608 5.215 -6.480 175 HB3 SER 28 2HB SER 28 0.707 7.259 -7.500 176 HG SER 28 HG SER 28 3.524 7.278 -7.332 177 H PHE 29 H PHE 29 1.331 3.207 -6.163 178 HA PHE 29 HA PHE 29 4.223 2.486 -6.324 179 HB3 PHE 29 2HB PHE 29 3.328 0.178 -5.783 180 HD1 PHE 29 2HD PHE 29 1.635 2.956 -3.876 181 HD2 PHE 29 1HD PHE 29 4.826 0.072 -3.966 182 HE1 PHE 29 2HE PHE 29 2.415 3.753 -1.743 183 HE2 PHE 29 1HE PHE 29 5.526 0.767 -1.704 184 HZ PHE 29 HZ PHE 29 4.291 2.589 -0.519 185 H ASP 30 H ASP 30 5.103 1.494 -8.073 186 HA ASP 30 HA ASP 30 3.503 0.366 -10.266 187 HB3 ASP 30 2HB ASP 30 5.161 1.782 -11.222 188 H GLU 31 H GLU 31 4.453 -1.748 -10.994 189 HA GLU 31 HA GLU 31 5.091 -3.427 -8.698 190 HB3 GLU 31 2HB GLU 31 3.967 -4.103 -11.459 191 HG3 GLU 31 2HG GLU 31 2.542 -5.661 -10.047 192 H ASP 32 H ASP 32 6.811 -1.783 -10.918 193 HA ASP 32 HA ASP 32 8.920 -3.806 -10.664 194 HB3 ASP 32 2HB ASP 32 8.501 -2.733 -13.413 195 H GLY 33 H GLY 33 8.267 -0.739 -10.016 196 HA2 GLY 33 1HA GLY 33 10.913 0.294 -10.989 197 HA3 GLY 33 2HA GLY 33 9.432 1.217 -11.147 198 H THR 34 H THR 34 8.705 2.350 -9.387 199 HA THR 34 HA THR 34 10.031 2.237 -6.778 200 HB THR 34 HB THR 34 10.858 4.594 -6.885 201 HG1 THR 34 1HG THR 34 9.682 4.907 -8.989 202 HG21 THR 34 3HG2 THR 34 13.013 4.050 -7.814 203 HG22 THR 34 1HG2 THR 34 12.324 2.835 -8.901 204 HG23 THR 34 2HG2 THR 34 12.355 2.550 -7.159 205 H GLY 35 H GLY 35 8.571 3.114 -5.315 206 HA2 GLY 35 1HA GLY 35 5.934 3.935 -6.272 207 HA3 GLY 35 2HA GLY 35 6.442 3.752 -4.585 208 H SER 36 H SER 36 4.974 5.970 -4.949 209 HA SER 36 HA SER 36 7.057 8.067 -4.667 210 HB3 SER 36 2HB SER 36 6.301 9.560 -6.297 211 HG SER 36 HG SER 36 7.002 7.335 -7.173 212 H PHE 37 H PHE 37 6.162 10.166 -3.802 213 HA PHE 37 HA PHE 37 3.618 9.818 -2.338 214 HB3 PHE 37 2HB PHE 37 6.309 10.402 -1.060 215 HD1 PHE 37 2HD PHE 37 2.609 10.052 -0.192 216 HD2 PHE 37 1HD PHE 37 6.538 11.295 1.074 217 HE1 PHE 37 2HE PHE 37 1.649 11.052 1.829 218 HE2 PHE 37 1HE PHE 37 5.574 12.217 3.143 219 HZ PHE 37 HZ PHE 37 3.115 12.160 3.508 220 H GLY 38 H GLY 38 2.426 11.595 -2.626 221 HA2 GLY 38 1HA GLY 38 3.797 14.199 -3.053 222 HA3 GLY 38 2HA GLY 38 2.374 13.708 -3.991 223 H ILE 39 H ILE 39 2.346 16.056 -2.517 224 HA ILE 39 HA ILE 39 0.258 15.519 -0.537 225 HB ILE 39 HB ILE 39 2.548 17.431 0.091 226 HG13 ILE 39 2HG1 ILE 39 3.380 15.147 0.326 227 HG21 ILE 39 1HG2 ILE 39 0.288 18.095 0.950 228 HG22 ILE 39 2HG2 ILE 39 0.180 16.549 1.804 229 HG23 ILE 39 3HG2 ILE 39 1.419 17.746 2.247 230 HD11 ILE 39 3HD1 ILE 39 4.008 16.703 2.170 231 HD12 ILE 39 1HD1 ILE 39 2.650 16.039 3.125 232 HD13 ILE 39 2HD1 ILE 39 3.976 14.985 2.621 233 H TYR 40 H TYR 40 -1.365 16.961 -0.797 234 HA TYR 40 HA TYR 40 -1.051 19.034 -2.906 235 HB3 TYR 40 2HB TYR 40 -3.499 18.323 -3.355 236 HD1 TYR 40 2HD TYR 40 -1.394 15.232 -3.116 237 HD2 TYR 40 1HD TYR 40 -2.848 18.418 -5.620 238 HE1 TYR 40 2HE TYR 40 -0.461 14.087 -5.086 239 HE2 TYR 40 1HE TYR 40 -1.961 17.299 -7.597 240 HH TYR 40 HH TYR 40 -0.693 15.591 -8.385 241 H SER 41 H SER 41 -1.824 21.002 -2.307 242 HA SER 41 HA SER 41 -3.478 21.341 0.152 243 HB3 SER 41 2HB SER 41 -3.141 23.819 -0.619 244 HG SER 41 HG SER 41 -1.685 23.800 0.886 245 H ASN 42 H ASN 42 -5.567 20.989 -0.254 246 HA ASN 42 HA ASN 42 -7.548 20.726 -1.203 247 HB3 ASN 42 2HB ASN 42 -8.124 22.504 -3.104 248 HD21 ASN 42 1HD2 ASN 42 -7.416 22.327 0.429 249 HD22 ASN 42 2HD2 ASN 42 -8.881 23.196 0.850 250 H ALA 43 H ALA 43 -6.180 21.887 -4.295 251 HA ALA 43 HA ALA 43 -5.895 19.053 -5.166 252 HB1 ALA 43 1HB ALA 43 -7.274 21.254 -6.752 253 HB2 ALA 43 2HB ALA 43 -6.974 19.595 -7.299 254 HB3 ALA 43 3HB ALA 43 -8.093 19.890 -5.955 255 H THR 44 H THR 44 -4.298 21.918 -4.657 256 HA THR 44 HA THR 44 -2.680 21.961 -7.086 257 HB THR 44 HB THR 44 -2.447 23.521 -4.460 258 HG1 THR 44 1HG THR 44 -3.693 25.045 -5.464 259 HG21 THR 44 3HG2 THR 44 -0.418 23.572 -5.978 260 HG22 THR 44 1HG2 THR 44 -1.210 25.148 -5.842 261 HG23 THR 44 2HG2 THR 44 -1.453 24.151 -7.294 262 HA PRO 45 HA PRO 45 0.047 18.915 -4.938 263 HB3 PRO 45 2HB PRO 45 0.547 17.906 -6.962 264 HG3 PRO 45 2HG PRO 45 0.451 19.131 -8.969 265 HD3 PRO 45 2HD PRO 45 -1.605 19.669 -7.951 266 H ILE 46 H ILE 46 1.706 19.313 -3.576 267 HA ILE 46 HA ILE 46 3.231 21.866 -3.848 268 HB ILE 46 HB ILE 46 2.281 20.577 -1.272 269 HG13 ILE 46 2HG1 ILE 46 0.744 22.498 -1.009 270 HG21 ILE 46 1HG2 ILE 46 4.264 21.863 -0.932 271 HG22 ILE 46 2HG2 ILE 46 3.624 23.233 -1.868 272 HG23 ILE 46 3HG2 ILE 46 2.896 22.806 -0.310 273 HD11 ILE 46 3HD1 ILE 46 0.419 22.892 -3.923 274 HD12 ILE 46 1HD1 ILE 46 0.137 24.000 -2.589 275 HD13 ILE 46 2HD1 ILE 46 1.789 23.743 -3.196 276 H SER 47 H SER 47 3.269 18.435 -2.748 277 HA SER 47 HA SER 47 6.247 18.575 -2.877 278 HB3 SER 47 2HB SER 47 4.595 17.155 -0.764 279 HG SER 47 HG SER 47 6.242 15.848 -0.782 280 H PHE 48 H PHE 48 7.189 16.635 -3.269 281 HA PHE 48 HA PHE 48 5.803 14.327 -4.259 282 HB3 PHE 48 2HB PHE 48 7.389 15.827 -6.369 283 HD1 PHE 48 2HD PHE 48 4.274 13.732 -6.460 284 HD2 PHE 48 1HD PHE 48 8.477 13.944 -7.418 285 HE1 PHE 48 2HE PHE 48 4.100 11.622 -7.743 286 HE2 PHE 48 1HE PHE 48 8.278 11.856 -8.733 287 HZ PHE 48 HZ PHE 48 6.092 10.680 -8.889 288 H GLN 49 H GLN 49 7.316 12.543 -4.508 289 HA GLN 49 HA GLN 49 10.129 12.826 -4.667 290 HB3 GLN 49 2HB GLN 49 10.008 13.176 -2.221 291 HG3 GLN 49 2HG GLN 49 8.535 10.499 -2.131 292 HE21 GLN 49 1HE2 GLN 49 10.491 9.826 -0.725 293 HE22 GLN 49 2HE2 GLN 49 10.368 10.267 0.952 294 H MET 50 H MET 50 11.037 10.555 -5.065 295 HA MET 50 HA MET 50 8.994 8.411 -5.207 296 HB3 MET 50 2HB MET 50 10.198 7.593 -7.210 297 HG3 MET 50 2HG MET 50 9.952 10.104 -8.066 298 HE1 MET 50 3HE MET 50 11.135 7.558 -9.349 299 HE2 MET 50 1HE MET 50 10.555 7.844 -11.007 300 HE3 MET 50 2HE MET 50 11.107 9.208 -9.978 301 H PHE 51 H PHE 51 10.046 6.224 -4.989 302 HA PHE 51 HA PHE 51 12.690 5.990 -3.947 303 HB3 PHE 51 2HB PHE 51 11.999 6.818 -1.890 304 HD1 PHE 51 2HD PHE 51 9.911 8.190 -2.046 305 HD2 PHE 51 1HD PHE 51 9.868 4.000 -1.120 306 HE1 PHE 51 2HE PHE 51 7.687 8.465 -0.975 307 HE2 PHE 51 1HE PHE 51 7.681 4.272 0.031 308 HZ PHE 51 HZ PHE 51 6.558 6.520 0.068 309 H ASP 52 H ASP 52 13.369 3.925 -4.075 310 HA ASP 52 HA ASP 52 11.753 1.730 -5.086 311 HB3 ASP 52 2HB ASP 52 13.686 0.373 -4.043 312 H TYR 53 H TYR 53 11.242 -0.270 -3.806 313 HA TYR 53 HA TYR 53 11.216 -0.016 -0.913 314 HB3 TYR 53 2HB TYR 53 9.140 1.177 -1.644 315 HD1 TYR 53 1HD TYR 53 8.745 1.053 -4.174 316 HD2 TYR 53 2HD TYR 53 7.577 -2.083 -1.472 317 HE1 TYR 53 1HE TYR 53 7.305 0.074 -5.960 318 HE2 TYR 53 2HE TYR 53 6.122 -3.068 -3.250 319 HH TYR 53 HH TYR 53 5.714 -1.633 -6.492 320 H LYS 54 H LYS 54 10.390 -2.208 0.098 321 HA LYS 54 HA LYS 54 10.035 -4.368 -1.835 322 HB3 LYS 54 2HB LYS 54 11.383 -5.942 -0.410 323 HG3 LYS 54 2HG LYS 54 13.710 -5.000 -0.929 324 HD3 LYS 54 2HD LYS 54 11.552 -5.566 -2.934 325 HE3 LYS 54 2HE LYS 54 14.226 -4.339 -3.678 326 HZ1 LYS 54 3HZ LYS 54 13.559 -4.805 -5.898 327 HZ2 LYS 54 1HZ LYS 54 12.184 -5.561 -5.403 328 HZ3 LYS 54 2HZ LYS 54 13.667 -6.239 -5.087 329 H ILE 55 H ILE 55 8.609 -5.936 -1.023 330 HA ILE 55 HA ILE 55 7.428 -5.415 1.680 331 HB ILE 55 HB ILE 55 5.920 -6.750 -0.571 332 HG13 ILE 55 2HG1 ILE 55 4.735 -4.766 -1.060 333 HG21 ILE 55 1HG2 ILE 55 5.022 -7.325 1.593 334 HG22 ILE 55 2HG2 ILE 55 5.094 -5.655 2.159 335 HG23 ILE 55 3HG2 ILE 55 3.948 -6.104 0.889 336 HD11 ILE 55 3HD1 ILE 55 5.414 -2.568 -0.169 337 HD12 ILE 55 1HD1 ILE 55 4.672 -3.591 1.074 338 HD13 ILE 55 2HD1 ILE 55 6.438 -3.381 1.036 339 H GLU 56 H GLU 56 8.909 -6.689 2.688 340 HA GLU 56 HA GLU 56 8.783 -9.610 2.103 341 HB3 GLU 56 2HB GLU 56 11.178 -8.076 3.189 342 HG3 GLU 56 2HG GLU 56 11.084 -10.660 2.957 343 H GLU 57 H GLU 57 7.307 -8.086 4.079 344 HA GLU 57 HA GLU 57 7.567 -9.738 6.266 345 HB3 GLU 57 2HB GLU 57 8.138 -7.426 7.792 346 HG3 GLU 57 2HG GLU 57 10.171 -9.556 7.164 347 H GLY 58 H GLY 58 5.638 -8.168 4.446 348 HA2 GLY 58 1HA GLY 58 3.492 -7.337 4.694 349 HA3 GLY 58 2HA GLY 58 3.553 -7.724 6.377 350 H ARG 59 H ARG 59 6.205 -5.872 5.629 351 HA ARG 59 HA ARG 59 5.075 -3.261 6.224 352 HB3 ARG 59 2HB ARG 59 6.120 -3.110 8.236 353 HG3 ARG 59 2HG ARG 59 7.977 -5.251 7.563 354 HD3 ARG 59 2HD ARG 59 7.109 -4.021 10.209 355 HE ARG 59 HE ARG 59 9.049 -6.285 9.967 356 HH11 ARG 59 1HH1 ARG 59 6.209 -4.922 11.756 357 HH12 ARG 59 2HH1 ARG 59 6.270 -6.218 12.896 358 HH21 ARG 59 1HH2 ARG 59 8.935 -7.911 11.339 359 HH22 ARG 59 2HH2 ARG 59 7.791 -8.036 12.636 360 H ILE 60 H ILE 60 6.123 -1.526 5.222 361 HA ILE 60 HA ILE 60 7.350 -2.276 2.675 362 HB ILE 60 HB ILE 60 7.364 0.605 3.488 363 HG13 ILE 60 2HG1 ILE 60 5.177 -0.013 4.429 364 HG21 ILE 60 1HG2 ILE 60 8.056 -0.381 1.288 365 HG22 ILE 60 2HG2 ILE 60 6.373 -0.845 0.993 366 HG23 ILE 60 3HG2 ILE 60 6.808 0.858 1.114 367 HD11 ILE 60 3HD1 ILE 60 5.610 2.183 3.163 368 HD12 ILE 60 1HD1 ILE 60 4.667 1.463 1.846 369 HD13 ILE 60 2HD1 ILE 60 3.938 1.702 3.454 370 H TYR 61 H TYR 61 9.524 -2.476 2.450 371 HA TYR 61 HA TYR 61 11.404 -1.410 4.503 372 HB3 TYR 61 2HB TYR 61 11.761 -3.228 2.105 373 HD1 TYR 61 1HD TYR 61 13.388 -2.635 5.383 374 HD2 TYR 61 2HD TYR 61 13.987 -2.941 1.148 375 HE1 TYR 61 1HE TYR 61 15.806 -2.661 5.758 376 HE2 TYR 61 2HE TYR 61 16.435 -2.916 1.479 377 HH TYR 61 HH TYR 61 18.171 -2.326 3.238 378 H ILE 62 H ILE 62 11.919 0.719 4.077 379 HA ILE 62 HA ILE 62 12.111 1.624 1.230 380 HB ILE 62 HB ILE 62 12.017 3.312 3.763 381 HG13 ILE 62 2HG1 ILE 62 9.661 3.825 3.235 382 HG21 ILE 62 1HG2 ILE 62 11.642 3.988 0.809 383 HG22 ILE 62 2HG2 ILE 62 11.334 5.112 2.153 384 HG23 ILE 62 3HG2 ILE 62 12.961 4.498 1.879 385 HD11 ILE 62 3HD1 ILE 62 9.576 2.932 0.858 386 HD12 ILE 62 1HD1 ILE 62 9.613 1.302 1.531 387 HD13 ILE 62 2HD1 ILE 62 8.272 2.401 1.931 388 H TYR 63 H TYR 63 14.196 2.291 0.526 389 HA TYR 63 HA TYR 63 16.401 2.486 2.472 390 HB3 TYR 63 2HB TYR 63 16.065 0.056 2.235 391 HD1 TYR 63 1HD TYR 63 14.167 -0.449 0.557 392 HD2 TYR 63 2HD TYR 63 18.270 0.184 -0.649 393 HE1 TYR 63 1HE TYR 63 13.713 -1.572 -1.598 394 HE2 TYR 63 2HE TYR 63 17.824 -0.968 -2.787 395 HH TYR 63 HH TYR 63 15.996 -1.677 -4.219 396 H ASP 64 H ASP 64 15.075 3.819 -0.359 397 HA ASP 64 HA ASP 64 17.529 5.019 -1.034 398 HB3 ASP 64 2HB ASP 64 16.051 3.723 -3.355 399 H VAL 65 H VAL 65 16.813 7.069 -1.358 400 HA VAL 65 HA VAL 65 14.060 7.611 -2.202 401 HB VAL 65 HB VAL 65 15.290 8.930 0.276 402 HG11 VAL 65 1HG1 VAL 65 12.955 9.764 0.608 403 HG12 VAL 65 2HG1 VAL 65 13.692 10.362 -0.869 404 HG13 VAL 65 3HG1 VAL 65 12.506 9.042 -0.965 405 HG21 VAL 65 3HG2 VAL 65 13.147 6.763 0.206 406 HG22 VAL 65 1HG2 VAL 65 14.759 6.638 0.934 407 HG23 VAL 65 2HG2 VAL 65 13.576 7.738 1.627 408 H TYR 66 H TYR 66 13.889 9.700 -3.216 409 HA TYR 66 HA TYR 66 16.333 11.313 -3.444 410 HB3 TYR 66 2HB TYR 66 15.594 9.438 -5.443 411 HD1 TYR 66 1HD TYR 66 13.197 9.986 -6.233 412 HD2 TYR 66 2HD TYR 66 16.621 12.485 -7.041 413 HE1 TYR 66 1HE TYR 66 11.971 11.103 -8.075 414 HE2 TYR 66 2HE TYR 66 15.434 13.558 -8.864 415 HH TYR 66 HH TYR 66 12.033 13.236 -9.375 416 HA PRO 67 HA PRO 67 16.723 13.180 -5.050 417 HB3 PRO 67 2HB PRO 67 15.941 15.183 -5.959 418 HG3 PRO 67 2HG PRO 67 14.392 16.585 -4.689 419 HD3 PRO 67 2HD PRO 67 13.454 14.438 -5.231 420 H ASP 68 H ASP 68 15.403 13.554 -1.892 421 HA ASP 68 HA ASP 68 18.115 13.863 -0.656 422 HB3 ASP 68 2HB ASP 68 16.407 14.022 1.422 423 H GLU 69 H GLU 69 19.005 11.868 -0.500 424 HA GLU 69 HA GLU 69 17.444 9.534 0.074 425 HB3 GLU 69 2HB GLU 69 19.497 9.263 -1.041 426 HG3 GLU 69 2HG GLU 69 20.720 10.820 1.176 427 H LYS 70 H LYS 70 17.088 8.577 2.110 428 HA LYS 70 HA LYS 70 18.133 9.874 4.545 429 HB3 LYS 70 2HB LYS 70 15.995 9.620 5.690 430 HG3 LYS 70 2HG LYS 70 15.417 11.173 3.170 431 HD3 LYS 70 2HD LYS 70 15.086 12.530 5.751 432 HE3 LYS 70 2HE LYS 70 13.087 11.710 3.616 433 HZ1 LYS 70 3HZ LYS 70 13.099 14.082 5.399 434 HZ2 LYS 70 1HZ LYS 70 12.053 12.771 5.464 435 HZ3 LYS 70 2HZ LYS 70 12.066 13.788 4.169 436 H THR 71 H THR 71 17.670 8.375 6.435 437 HA THR 71 HA THR 71 18.968 5.964 6.212 438 HB THR 71 HB THR 71 18.504 7.327 8.220 439 HG1 THR 71 1HG THR 71 17.792 4.602 8.502 440 HG21 THR 71 3HG2 THR 71 16.060 7.602 7.860 441 HG22 THR 71 1HG2 THR 71 16.471 6.978 9.474 442 HG23 THR 71 2HG2 THR 71 15.859 5.877 8.247 443 HA PRO 72 HA PRO 72 15.776 3.085 4.791 444 HB3 PRO 72 2HB PRO 72 17.207 1.347 4.427 445 HG3 PRO 72 2HG PRO 72 19.334 1.440 5.455 446 HD3 PRO 72 2HD PRO 72 19.264 3.725 5.083 447 H TYR 73 H TYR 73 14.032 1.907 5.814 448 HA TYR 73 HA TYR 73 13.826 1.432 8.555 449 HB3 TYR 73 2HB TYR 73 13.296 3.647 9.025 450 HD1 TYR 73 1HD TYR 73 10.323 3.214 6.910 451 HD2 TYR 73 2HD TYR 73 13.919 5.444 7.446 452 HE1 TYR 73 1HE TYR 73 9.520 4.907 5.238 453 HE2 TYR 73 2HE TYR 73 13.200 7.111 5.749 454 HH TYR 73 HH TYR 73 11.437 7.777 4.392 455 H TYR 74 H TYR 74 11.897 0.301 9.030 456 HA TYR 74 HA TYR 74 10.411 -0.766 6.664 457 HB3 TYR 74 2HB TYR 74 9.507 -2.468 8.266 458 HD1 TYR 74 2HD TYR 74 13.218 -2.513 8.501 459 HD2 TYR 74 1HD TYR 74 9.733 -4.149 6.484 460 HE1 TYR 74 2HE TYR 74 14.570 -4.371 7.600 461 HE2 TYR 74 1HE TYR 74 11.107 -6.001 5.612 462 HH TYR 74 HH TYR 74 13.147 -7.006 5.652 463 H LEU 75 H LEU 75 8.237 -0.377 6.613 464 HA LEU 75 HA LEU 75 6.949 1.208 8.812 465 HB3 LEU 75 2HB LEU 75 5.490 2.034 6.945 466 HG LEU 75 HG LEU 75 8.419 2.568 6.298 467 HD11 LEU 75 1HD1 LEU 75 7.127 3.270 4.497 468 HD12 LEU 75 2HD1 LEU 75 7.302 4.741 5.425 469 HD13 LEU 75 3HD1 LEU 75 5.773 3.816 5.495 470 HD21 LEU 75 3HD2 LEU 75 8.125 3.207 8.613 471 HD22 LEU 75 1HD2 LEU 75 6.527 3.896 8.313 472 HD23 LEU 75 2HD2 LEU 75 7.989 4.697 7.671 473 H ASP 76 H ASP 76 5.544 -0.164 9.907 474 HA ASP 76 HA ASP 76 4.403 -2.584 8.761 475 HB3 ASP 76 2HB ASP 76 2.856 -2.365 10.776 476 H CYS 77 H CYS 77 2.501 -2.796 7.675 477 HA CYS 77 HA CYS 77 0.500 -0.764 7.630 478 HB3 CYS 77 2HB CYS 77 1.762 0.252 5.898 479 HG CYS 77 HG CYS 77 2.599 -0.773 3.600 480 H LYS 78 H LYS 78 -1.348 -1.535 6.135 481 HA LYS 78 HA LYS 78 -1.272 -4.480 5.820 482 HB3 LYS 78 2HB LYS 78 -3.389 -4.822 6.850 483 HG3 LYS 78 2HG LYS 78 -1.915 -2.832 8.616 484 HD3 LYS 78 2HD LYS 78 -1.971 -4.551 10.159 485 HE3 LYS 78 2HE LYS 78 -4.902 -3.849 9.715 486 HZ1 LYS 78 3HZ LYS 78 -3.965 -4.735 11.918 487 HZ2 LYS 78 1HZ LYS 78 -4.869 -3.344 11.998 488 HZ3 LYS 78 2HZ LYS 78 -3.241 -3.249 12.049 489 H ILE 79 H ILE 79 -3.017 -5.310 4.259 490 HA ILE 79 HA ILE 79 -4.352 -3.226 2.706 491 HB ILE 79 HB ILE 79 -1.938 -3.574 1.906 492 HG13 ILE 79 2HG1 ILE 79 -3.950 -2.513 0.633 493 HG21 ILE 79 1HG2 ILE 79 -3.026 -6.039 0.499 494 HG22 ILE 79 2HG2 ILE 79 -1.359 -5.418 0.568 495 HG23 ILE 79 3HG2 ILE 79 -2.100 -6.126 2.000 496 HD11 ILE 79 3HD1 ILE 79 -2.517 -2.177 -1.313 497 HD12 ILE 79 1HD1 ILE 79 -1.604 -2.066 0.202 498 HD13 ILE 79 2HD1 ILE 79 -1.469 -3.515 -0.809 499 H SER 80 H SER 80 -6.130 -3.942 1.659 500 HA SER 80 HA SER 80 -6.795 -6.862 1.604 501 HB3 SER 80 2HB SER 80 -8.583 -4.606 2.491 502 HG SER 80 HG SER 80 -9.239 -7.317 2.963 503 H GLY 81 H GLY 81 -5.676 -5.183 -0.371 504 HA2 GLY 81 1HA GLY 81 -5.905 -5.240 -2.692 505 HA3 GLY 81 2HA GLY 81 -7.594 -5.678 -2.513 506 H THR 82 H THR 82 -8.881 -3.722 -1.354 507 HA THR 82 HA THR 82 -8.316 -1.345 -3.010 508 HB THR 82 HB THR 82 -10.864 -0.966 -2.233 509 HG1 THR 82 1HG THR 82 -10.783 -3.050 -1.071 510 HG21 THR 82 3HG2 THR 82 -9.957 -2.841 -4.462 511 HG22 THR 82 1HG2 THR 82 -9.961 -1.066 -4.552 512 HG23 THR 82 2HG2 THR 82 -11.487 -1.941 -4.407 513 H THR 83 H THR 83 -8.671 -2.105 0.453 514 HA THR 83 HA THR 83 -8.107 0.755 1.045 515 HB THR 83 HB THR 83 -8.718 -1.571 2.893 516 HG1 THR 83 1HG THR 83 -10.712 -0.791 3.005 517 HG21 THR 83 3HG2 THR 83 -7.446 0.283 4.020 518 HG22 THR 83 1HG2 THR 83 -9.083 0.132 4.642 519 HG23 THR 83 2HG2 THR 83 -8.683 1.435 3.486 520 H LEU 84 H LEU 84 -6.089 1.342 1.383 521 HA LEU 84 HA LEU 84 -3.936 -0.508 2.257 522 HB3 LEU 84 2HB LEU 84 -4.001 2.337 1.168 523 HG LEU 84 HG LEU 84 -2.259 2.388 2.845 524 HD11 LEU 84 1HD1 LEU 84 -0.377 0.856 2.872 525 HD12 LEU 84 2HD1 LEU 84 -1.055 -0.076 1.499 526 HD13 LEU 84 3HD1 LEU 84 -1.820 -0.078 3.076 527 HD21 LEU 84 3HD2 LEU 84 -0.334 2.876 1.360 528 HD22 LEU 84 1HD2 LEU 84 -1.845 3.477 0.675 529 HD23 LEU 84 2HD2 LEU 84 -1.134 1.997 0.029 530 H LYS 85 H LYS 85 -3.317 -0.367 4.382 531 HA LYS 85 HA LYS 85 -4.190 1.963 6.049 532 HB3 LYS 85 2HB LYS 85 -4.386 -1.023 6.637 533 HG3 LYS 85 2HG LYS 85 -5.036 1.412 8.302 534 HD3 LYS 85 2HD LYS 85 -5.832 -1.490 8.822 535 HE3 LYS 85 2HE LYS 85 -5.491 -0.157 10.898 536 HZ1 LYS 85 3HZ LYS 85 -6.115 2.014 10.139 537 HZ2 LYS 85 1HZ LYS 85 -7.125 1.582 11.337 538 HZ3 LYS 85 2HZ LYS 85 -7.643 1.537 9.761 539 H VAL 86 H VAL 86 -2.065 2.885 6.026 540 HA VAL 86 HA VAL 86 0.188 1.161 6.818 541 HB VAL 86 HB VAL 86 0.189 4.134 6.301 542 HG11 VAL 86 1HG1 VAL 86 2.626 3.930 6.226 543 HG12 VAL 86 2HG1 VAL 86 1.932 3.551 7.799 544 HG13 VAL 86 3HG1 VAL 86 2.503 2.234 6.758 545 HG21 VAL 86 3HG2 VAL 86 1.252 1.856 4.560 546 HG22 VAL 86 1HG2 VAL 86 -0.233 2.768 4.232 547 HG23 VAL 86 2HG2 VAL 86 1.333 3.588 4.202 548 H GLU 87 H GLU 87 0.956 0.915 8.869 549 HA GLU 87 HA GLU 87 -0.808 1.931 10.956 550 HB3 GLU 87 2HB GLU 87 0.271 0.352 12.403 551 HG3 GLU 87 2HG GLU 87 -0.027 -1.417 10.059 552 H THR 88 H THR 88 2.501 2.500 9.695 553 HA THR 88 HA THR 88 2.910 4.681 11.604 554 HB THR 88 HB THR 88 3.722 2.811 12.818 555 HG1 THR 88 1HG THR 88 5.119 4.836 12.636 556 HG21 THR 88 3HG2 THR 88 4.152 1.250 10.939 557 HG22 THR 88 1HG2 THR 88 5.484 1.339 12.095 558 HG23 THR 88 2HG2 THR 88 5.602 2.188 10.536 559 H GLY 89 H GLY 89 4.734 6.044 10.981 560 HA2 GLY 89 1HA GLY 89 6.463 6.606 9.372 561 HA3 GLY 89 2HA GLY 89 5.514 5.809 8.120 562 H SER 90 H SER 90 6.181 8.155 7.403 563 HA SER 90 HA SER 90 4.606 10.400 8.130 564 HB3 SER 90 2HB SER 90 5.406 11.081 5.784 565 HG SER 90 HG SER 90 7.741 10.371 6.818 566 H GLU 91 H GLU 91 3.826 7.587 6.267 567 HA GLU 91 HA GLU 91 1.382 8.871 5.151 568 HB3 GLU 91 2HB GLU 91 1.274 7.025 3.617 569 HG3 GLU 91 2HG GLU 91 2.955 9.189 3.542 570 H ALA 92 H ALA 92 1.977 7.529 7.952 571 HA ALA 92 HA ALA 92 0.342 5.297 8.357 572 HB1 ALA 92 1HB ALA 92 1.987 6.151 9.996 573 HB2 ALA 92 2HB ALA 92 0.953 7.550 10.318 574 HB3 ALA 92 3HB ALA 92 0.392 5.905 10.710 575 H GLY 93 H GLY 93 -1.711 5.111 8.051 576 HA2 GLY 93 1HA GLY 93 -3.849 6.730 8.943 577 HA3 GLY 93 2HA GLY 93 -3.382 7.345 7.352 578 H THR 94 H THR 94 -5.312 6.839 6.521 579 HA THR 94 HA THR 94 -5.899 4.007 5.906 580 HB THR 94 HB THR 94 -7.233 4.648 7.861 581 HG1 THR 94 1HG THR 94 -9.354 4.366 6.748 582 HG21 THR 94 3HG2 THR 94 -8.961 6.329 7.846 583 HG22 THR 94 1HG2 THR 94 -8.589 6.790 6.176 584 HG23 THR 94 2HG2 THR 94 -7.429 7.114 7.483 585 H TYR 95 H TYR 95 -6.120 3.793 3.713 586 HA TYR 95 HA TYR 95 -6.905 6.135 2.088 587 HB3 TYR 95 2HB TYR 95 -5.024 5.557 0.501 588 HD1 TYR 95 2HD TYR 95 -3.728 5.518 3.978 589 HD2 TYR 95 1HD TYR 95 -4.409 7.878 0.466 590 HE1 TYR 95 2HE TYR 95 -2.393 7.364 4.971 591 HE2 TYR 95 1HE TYR 95 -3.148 9.737 1.445 592 HH TYR 95 HH TYR 95 -2.051 10.503 3.303 593 H LYS 96 H LYS 96 -7.456 5.549 -0.059 594 HA LYS 96 HA LYS 96 -8.274 2.699 -0.377 595 HB3 LYS 96 2HB LYS 96 -10.329 3.841 -1.518 596 HG3 LYS 96 2HG LYS 96 -11.188 4.379 1.046 597 HD3 LYS 96 2HD LYS 96 -11.620 1.888 1.306 598 HE3 LYS 96 2HE LYS 96 -12.455 3.690 -0.893 599 HZ1 LYS 96 3HZ LYS 96 -12.198 1.598 -2.108 600 HZ2 LYS 96 1HZ LYS 96 -13.781 2.028 -1.955 601 HZ3 LYS 96 2HZ LYS 96 -13.231 0.860 -1.027 602 H LYS 97 H LYS 97 -7.853 1.887 -2.289 603 HA LYS 97 HA LYS 97 -6.057 2.874 -4.146 604 HB3 LYS 97 2HB LYS 97 -8.280 1.048 -5.062 605 HG3 LYS 97 2HG LYS 97 -5.232 0.973 -5.157 606 HD3 LYS 97 2HD LYS 97 -7.256 -0.590 -6.831 607 HE3 LYS 97 2HE LYS 97 -4.304 -1.013 -6.596 608 HZ1 LYS 97 3HZ LYS 97 -5.378 -2.398 -8.207 609 HZ2 LYS 97 1HZ LYS 97 -4.525 -1.315 -9.051 610 HZ3 LYS 97 2HZ LYS 97 -6.155 -1.107 -8.930 611 H GLN 98 H GLN 98 -6.210 3.954 -6.049 612 HA GLN 98 HA GLN 98 -8.739 5.293 -6.906 613 HB3 GLN 98 2HB GLN 98 -7.167 7.130 -7.631 614 HG3 GLN 98 2HG GLN 98 -6.182 7.644 -5.227 615 HE21 GLN 98 1HE2 GLN 98 -9.622 6.927 -4.739 616 HE22 GLN 98 2HE2 GLN 98 -10.156 8.544 -5.051 617 H LYS 99 H LYS 99 -7.539 2.649 -7.700 618 HA LYS 99 HA LYS 99 -7.878 2.710 -10.458 619 HB3 LYS 99 2HB LYS 99 -5.509 1.216 -10.507 620 HG3 LYS 99 2HG LYS 99 -4.411 3.223 -11.584 621 HD3 LYS 99 2HD LYS 99 -7.151 2.328 -12.565 622 HE3 LYS 99 2HE LYS 99 -6.513 4.451 -13.659 623 HZ1 LYS 99 3HZ LYS 99 -4.084 4.245 -13.689 624 HZ2 LYS 99 1HZ LYS 99 -4.671 4.458 -15.173 625 HZ3 LYS 99 2HZ LYS 99 -4.184 2.958 -14.728 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -9.211 -4.402 17.725 2 HA2 GLY 1 1HA GLY 1 -7.875 -4.640 15.685 3 HA3 GLY 1 2HA GLY 1 -8.544 -6.204 16.206 4 H GLU 2 H GLU 2 -7.797 -5.534 13.459 5 HA GLU 2 HA GLU 2 -10.372 -6.175 12.239 6 HB3 GLU 2 2HB GLU 2 -10.000 -4.838 10.268 7 HG3 GLU 2 2HG GLU 2 -11.222 -3.743 12.257 8 H ASP 3 H ASP 3 -10.141 -7.545 10.481 9 HA ASP 3 HA ASP 3 -7.684 -9.115 10.459 10 HB3 ASP 3 2HB ASP 3 -8.888 -10.705 9.158 11 H TRP 4 H TRP 4 -6.263 -8.394 9.197 12 HA TRP 4 HA TRP 4 -6.888 -7.176 6.532 13 HB3 TRP 4 2HB TRP 4 -4.534 -6.325 6.720 14 HD1 TRP 4 HD TRP 4 -5.942 -5.240 10.084 15 HE1 TRP 4 1HE TRP 4 -7.034 -2.922 9.841 16 HE3 TRP 4 3HE TRP 4 -6.169 -5.094 5.153 17 HZ2 TRP 4 2HZ TRP 4 -7.590 -1.045 7.534 18 HZ3 TRP 4 3HZ TRP 4 -6.978 -3.051 3.857 19 HH2 TRP 4 HH TRP 4 -7.640 -1.046 5.129 20 H THR 5 H THR 5 -5.300 -7.796 4.737 21 HA THR 5 HA THR 5 -4.482 -10.640 4.976 22 HB THR 5 HB THR 5 -3.746 -9.922 2.451 23 HG1 THR 5 1HG THR 5 -5.986 -8.360 3.115 24 HG21 THR 5 3HG2 THR 5 -6.577 -10.745 3.139 25 HG22 THR 5 1HG2 THR 5 -5.169 -11.853 3.153 26 HG23 THR 5 2HG2 THR 5 -5.630 -11.045 1.651 27 H GLU 6 H GLU 6 -2.319 -11.045 3.846 28 HA GLU 6 HA GLU 6 -0.196 -9.734 5.168 29 HB3 GLU 6 2HB GLU 6 1.102 -10.904 3.222 30 HG3 GLU 6 2HG GLU 6 -0.671 -12.409 5.156 31 H LEU 7 H LEU 7 1.329 -8.363 4.260 32 HA LEU 7 HA LEU 7 0.518 -6.689 1.942 33 HB3 LEU 7 2HB LEU 7 3.068 -6.327 3.500 34 HG LEU 7 HG LEU 7 2.340 -4.645 1.764 35 HD11 LEU 7 1HD1 LEU 7 -0.136 -4.698 2.439 36 HD12 LEU 7 2HD1 LEU 7 0.564 -3.080 2.323 37 HD13 LEU 7 3HD1 LEU 7 0.330 -3.846 3.921 38 HD21 LEU 7 3HD2 LEU 7 2.791 -2.684 3.267 39 HD22 LEU 7 1HD2 LEU 7 3.946 -4.021 3.503 40 HD23 LEU 7 2HD2 LEU 7 2.643 -3.760 4.671 41 H ASN 8 H ASN 8 1.461 -7.245 -0.077 42 HA ASN 8 HA ASN 8 4.108 -8.607 -0.093 43 HB3 ASN 8 2HB ASN 8 3.350 -10.043 -1.911 44 HD21 ASN 8 1HD2 ASN 8 0.273 -10.612 -0.779 45 HD22 ASN 8 2HD2 ASN 8 0.688 -11.793 0.422 46 H SER 9 H SER 9 5.048 -8.421 -2.418 47 HA SER 9 HA SER 9 4.777 -5.715 -3.385 48 HB3 SER 9 2HB SER 9 6.278 -7.860 -4.892 49 HG SER 9 HG SER 9 7.075 -6.097 -5.735 50 H ASN 10 H ASN 10 2.262 -7.135 -3.589 51 HA ASN 10 HA ASN 10 1.854 -6.892 -6.482 52 HB3 ASN 10 2HB ASN 10 0.526 -9.359 -5.578 53 HD21 ASN 10 1HD2 ASN 10 3.383 -8.386 -7.534 54 HD22 ASN 10 2HD2 ASN 10 2.723 -8.726 -9.104 55 H ASN 11 H ASN 11 0.385 -7.269 -3.242 56 HA ASN 11 HA ASN 11 -2.130 -6.273 -4.371 57 HB3 ASN 11 2HB ASN 11 -2.682 -7.721 -2.750 58 HD21 ASN 11 1HD2 ASN 11 -2.937 -8.321 -0.322 59 HD22 ASN 11 2HD2 ASN 11 -1.437 -8.424 0.549 60 H ILE 12 H ILE 12 0.683 -4.794 -2.584 61 HA ILE 12 HA ILE 12 -0.615 -2.321 -2.249 62 HB ILE 12 HB ILE 12 1.410 -3.048 -1.070 63 HG13 ILE 12 2HG1 ILE 12 1.637 -0.355 -2.373 64 HG21 ILE 12 1HG2 ILE 12 3.569 -3.072 -1.963 65 HG22 ILE 12 2HG2 ILE 12 2.616 -3.983 -3.123 66 HG23 ILE 12 3HG2 ILE 12 3.070 -2.295 -3.470 67 HD11 ILE 12 3HD1 ILE 12 -0.343 -0.537 -0.922 68 HD12 ILE 12 1HD1 ILE 12 0.662 -1.253 0.369 69 HD13 ILE 12 2HD1 ILE 12 0.921 0.427 -0.138 70 H ILE 13 H ILE 13 0.796 -3.685 -5.098 71 HA ILE 13 HA ILE 13 1.635 -1.478 -6.539 72 HB ILE 13 HB ILE 13 0.413 -4.046 -7.595 73 HG13 ILE 13 2HG1 ILE 13 2.687 -4.982 -7.608 74 HG21 ILE 13 1HG2 ILE 13 2.442 -2.136 -8.825 75 HG22 ILE 13 2HG2 ILE 13 1.931 -3.706 -9.495 76 HG23 ILE 13 3HG2 ILE 13 0.770 -2.391 -9.339 77 HD11 ILE 13 3HD1 ILE 13 4.018 -2.845 -7.335 78 HD12 ILE 13 1HD1 ILE 13 3.463 -2.775 -5.659 79 HD13 ILE 13 2HD1 ILE 13 4.449 -4.143 -6.207 80 H GLY 14 H GLY 14 0.391 0.364 -6.857 81 HA2 GLY 14 1HA GLY 14 -1.558 0.557 -8.756 82 HA3 GLY 14 2HA GLY 14 -2.460 0.292 -7.255 83 H TYR 15 H TYR 15 -2.847 2.632 -8.546 84 HA TYR 15 HA TYR 15 -1.456 4.799 -7.108 85 HB3 TYR 15 2HB TYR 15 -3.811 5.837 -8.012 86 HD1 TYR 15 2HD TYR 15 -0.680 4.520 -9.657 87 HD2 TYR 15 1HD TYR 15 -3.468 7.766 -9.155 88 HE1 TYR 15 2HE TYR 15 0.932 6.043 -10.742 89 HE2 TYR 15 1HE TYR 15 -1.798 9.344 -10.150 90 HH TYR 15 HH TYR 15 0.388 9.601 -10.829 91 H TRP 16 H TRP 16 -2.443 6.010 -5.374 92 HA TRP 16 HA TRP 16 -4.832 4.838 -4.073 93 HB3 TRP 16 2HB TRP 16 -3.598 4.939 -1.906 94 HD1 TRP 16 HD TRP 16 -0.789 3.418 -3.906 95 HE1 TRP 16 1HE TRP 16 -0.786 0.885 -3.639 96 HE3 TRP 16 3HE TRP 16 -5.282 2.864 -1.517 97 HZ2 TRP 16 2HZ TRP 16 -2.571 -1.138 -2.579 98 HZ3 TRP 16 3HZ TRP 16 -6.136 0.529 -0.985 99 HH2 TRP 16 HH TRP 16 -4.843 -1.413 -1.605 100 H SER 17 H SER 17 -5.881 6.478 -2.613 101 HA SER 17 HA SER 17 -4.347 8.863 -2.050 102 HB3 SER 17 2HB SER 17 -6.914 9.245 -3.622 103 HG SER 17 HG SER 17 -6.109 11.415 -3.545 104 H THR 18 H THR 18 -5.641 10.310 -0.597 105 HA THR 18 HA THR 18 -7.341 8.694 1.250 106 HB THR 18 HB THR 18 -4.969 9.051 1.924 107 HG1 THR 18 1HG THR 18 -6.589 8.599 3.439 108 HG21 THR 18 3HG2 THR 18 -4.230 11.158 2.836 109 HG22 THR 18 1HG2 THR 18 -5.797 11.919 2.477 110 HG23 THR 18 2HG2 THR 18 -4.731 11.393 1.152 111 H GLY 19 H GLY 19 -7.400 11.420 -0.828 112 HA2 GLY 19 1HA GLY 19 -9.982 12.055 -0.306 113 HA3 GLY 19 2HA GLY 19 -9.071 13.159 0.747 114 H ILE 20 H ILE 20 -10.323 14.565 -0.843 115 HA ILE 20 HA ILE 20 -8.493 15.488 -3.007 116 HB ILE 20 HB ILE 20 -10.555 16.093 -4.314 117 HG13 ILE 20 2HG1 ILE 20 -12.150 15.914 -2.341 118 HG21 ILE 20 1HG2 ILE 20 -10.230 13.103 -3.869 119 HG22 ILE 20 2HG2 ILE 20 -10.786 13.932 -5.337 120 HG23 ILE 20 3HG2 ILE 20 -9.117 14.122 -4.814 121 HD11 ILE 20 3HD1 ILE 20 -13.023 16.073 -4.647 122 HD12 ILE 20 1HD1 ILE 20 -12.975 14.300 -4.791 123 HD13 ILE 20 2HD1 ILE 20 -14.045 15.064 -3.605 124 H GLU 21 H GLU 21 -9.191 16.263 -0.070 125 HA GLU 21 HA GLU 21 -9.765 19.136 -0.468 126 HB3 GLU 21 2HB GLU 21 -11.893 17.914 -0.159 127 HG3 GLU 21 2HG GLU 21 -10.859 17.147 2.603 128 H GLY 22 H GLY 22 -9.750 20.187 1.848 129 HA2 GLY 22 1HA GLY 22 -8.628 20.821 3.704 130 HA3 GLY 22 2HA GLY 22 -8.675 19.104 4.103 131 H THR 23 H THR 23 -6.726 17.977 4.134 132 HA THR 23 HA THR 23 -4.461 18.948 2.542 133 HB THR 23 HB THR 23 -4.147 18.363 5.517 134 HG1 THR 23 1HG THR 23 -4.429 20.350 5.825 135 HG21 THR 23 3HG2 THR 23 -2.192 17.689 4.149 136 HG22 THR 23 1HG2 THR 23 -1.820 19.097 5.156 137 HG23 THR 23 2HG2 THR 23 -2.141 19.310 3.417 138 H HIS 24 H HIS 24 -4.386 17.088 1.214 139 HA HIS 24 HA HIS 24 -4.643 14.438 2.520 140 HB3 HIS 24 2HB HIS 24 -6.691 14.919 1.307 141 HD1 HIS 24 1HD HIS 24 -6.827 17.309 0.079 142 HD2 HIS 24 2HD HIS 24 -4.948 14.189 -1.987 143 HE1 HIS 24 1HE HIS 24 -6.636 18.076 -2.376 144 H LYS 25 H LYS 25 -3.786 12.774 0.630 145 HA LYS 25 HA LYS 25 -1.274 13.773 -0.515 146 HB3 LYS 25 2HB LYS 25 -0.003 11.983 0.502 147 HG3 LYS 25 2HG LYS 25 -0.342 14.339 1.766 148 HD3 LYS 25 2HD LYS 25 -1.242 12.161 3.683 149 HE3 LYS 25 2HE LYS 25 -0.479 14.929 4.615 150 HZ1 LYS 25 3HZ LYS 25 -0.343 12.227 5.800 151 HZ2 LYS 25 1HZ LYS 25 -1.481 13.328 6.137 152 HZ3 LYS 25 2HZ LYS 25 0.126 13.605 6.560 153 H LEU 26 H LEU 26 -0.390 12.305 -1.987 154 HA LEU 26 HA LEU 26 -2.224 10.260 -3.151 155 HB3 LEU 26 2HB LEU 26 0.306 11.316 -4.459 156 HG LEU 26 HG LEU 26 -0.858 11.241 -6.533 157 HD11 LEU 26 1HD1 LEU 26 0.027 9.084 -5.780 158 HD12 LEU 26 2HD1 LEU 26 -1.232 9.029 -7.017 159 HD13 LEU 26 3HD1 LEU 26 -1.652 8.658 -5.341 160 HD21 LEU 26 3HD2 LEU 26 -3.199 10.672 -6.837 161 HD22 LEU 26 1HD2 LEU 26 -3.048 12.068 -5.766 162 HD23 LEU 26 2HD2 LEU 26 -3.403 10.488 -5.079 163 H LEU 27 H LEU 27 -1.194 8.151 -3.653 164 HA LEU 27 HA LEU 27 1.626 7.793 -3.053 165 HB3 LEU 27 2HB LEU 27 0.588 5.322 -2.328 166 HG LEU 27 HG LEU 27 1.214 7.488 -0.304 167 HD11 LEU 27 1HD1 LEU 27 1.158 4.467 -0.032 168 HD12 LEU 27 2HD1 LEU 27 -0.020 5.612 0.641 169 HD13 LEU 27 3HD1 LEU 27 1.652 5.609 1.216 170 HD21 LEU 27 3HD2 LEU 27 3.091 5.717 -1.848 171 HD22 LEU 27 1HD2 LEU 27 3.458 6.165 -0.170 172 HD23 LEU 27 2HD2 LEU 27 3.223 7.414 -1.387 173 H SER 28 H SER 28 2.517 6.339 -4.754 174 HA SER 28 HA SER 28 0.567 4.663 -6.116 175 HB3 SER 28 2HB SER 28 0.639 6.570 -7.584 176 HG SER 28 HG SER 28 3.382 6.161 -8.005 177 H PHE 29 H PHE 29 1.595 2.815 -7.137 178 HA PHE 29 HA PHE 29 4.360 2.160 -6.319 179 HB3 PHE 29 2HB PHE 29 3.416 -0.104 -5.613 180 HD1 PHE 29 1HD PHE 29 1.534 2.799 -4.141 181 HD2 PHE 29 2HD PHE 29 4.606 -0.169 -3.582 182 HE1 PHE 29 1HE PHE 29 2.122 3.800 -2.006 183 HE2 PHE 29 2HE PHE 29 4.991 0.692 -1.284 184 HZ PHE 29 HZ PHE 29 3.770 2.693 -0.479 185 H ASP 30 H ASP 30 5.333 1.235 -8.179 186 HA ASP 30 HA ASP 30 3.632 0.181 -10.335 187 HB3 ASP 30 2HB ASP 30 5.809 0.377 -11.541 188 H GLU 31 H GLU 31 4.331 -2.013 -11.117 189 HA GLU 31 HA GLU 31 5.159 -3.689 -8.911 190 HB3 GLU 31 2HB GLU 31 4.974 -4.560 -11.815 191 HG3 GLU 31 2HG GLU 31 4.146 -5.812 -9.158 192 H ASP 32 H ASP 32 6.681 -2.442 -11.842 193 HA ASP 32 HA ASP 32 8.980 -4.275 -11.424 194 HB3 ASP 32 2HB ASP 32 8.447 -2.779 -13.944 195 H GLY 33 H GLY 33 8.282 -1.177 -10.631 196 HA2 GLY 33 1HA GLY 33 10.998 -0.116 -11.336 197 HA3 GLY 33 2HA GLY 33 9.529 0.805 -11.606 198 H THR 34 H THR 34 8.878 2.148 -9.944 199 HA THR 34 HA THR 34 9.532 1.558 -7.149 200 HB THR 34 HB THR 34 10.530 3.775 -6.793 201 HG1 THR 34 1HG THR 34 10.714 3.961 -9.614 202 HG21 THR 34 3HG2 THR 34 12.207 2.385 -8.899 203 HG22 THR 34 1HG2 THR 34 12.008 1.763 -7.254 204 HG23 THR 34 2HG2 THR 34 12.749 3.344 -7.515 205 H GLY 35 H GLY 35 8.395 3.499 -5.812 206 HA2 GLY 35 1HA GLY 35 5.835 4.205 -7.181 207 HA3 GLY 35 2HA GLY 35 5.955 3.733 -5.505 208 H SER 36 H SER 36 4.879 5.847 -5.108 209 HA SER 36 HA SER 36 6.800 8.108 -4.901 210 HB3 SER 36 2HB SER 36 5.677 9.597 -6.396 211 HG SER 36 HG SER 36 6.805 7.517 -7.377 212 H PHE 37 H PHE 37 6.023 9.920 -3.806 213 HA PHE 37 HA PHE 37 3.365 9.699 -2.502 214 HB3 PHE 37 2HB PHE 37 6.072 10.141 -1.203 215 HD1 PHE 37 2HD PHE 37 2.516 9.733 -0.109 216 HD2 PHE 37 1HD PHE 37 6.217 11.856 0.381 217 HE1 PHE 37 2HE PHE 37 1.563 10.967 1.846 218 HE2 PHE 37 1HE PHE 37 5.274 13.040 2.339 219 HZ PHE 37 HZ PHE 37 2.966 12.580 3.094 220 H GLY 38 H GLY 38 2.406 11.765 -2.182 221 HA2 GLY 38 1HA GLY 38 4.040 14.150 -2.424 222 HA3 GLY 38 2HA GLY 38 2.827 13.975 -3.707 223 H ILE 39 H ILE 39 2.824 16.034 -1.763 224 HA ILE 39 HA ILE 39 0.511 15.349 0.006 225 HB ILE 39 HB ILE 39 2.752 17.357 0.531 226 HG13 ILE 39 2HG1 ILE 39 3.589 15.115 0.851 227 HG21 ILE 39 1HG2 ILE 39 0.364 16.599 2.283 228 HG22 ILE 39 2HG2 ILE 39 1.676 17.719 2.723 229 HG23 ILE 39 3HG2 ILE 39 0.580 18.147 1.436 230 HD11 ILE 39 3HD1 ILE 39 4.102 16.672 2.772 231 HD12 ILE 39 1HD1 ILE 39 2.743 15.921 3.654 232 HD13 ILE 39 2HD1 ILE 39 4.130 14.946 3.171 233 H TYR 40 H TYR 40 -1.220 16.796 -0.012 234 HA TYR 40 HA TYR 40 -1.136 18.994 -1.989 235 HB3 TYR 40 2HB TYR 40 -3.545 18.257 -2.434 236 HD1 TYR 40 1HD TYR 40 -1.233 15.310 -2.674 237 HD2 TYR 40 2HD TYR 40 -2.932 18.740 -4.683 238 HE1 TYR 40 1HE TYR 40 -0.373 14.476 -4.842 239 HE2 TYR 40 2HE TYR 40 -2.063 17.906 -6.829 240 HH TYR 40 HH TYR 40 -1.144 14.824 -7.410 241 H SER 41 H SER 41 -1.784 20.824 -1.117 242 HA SER 41 HA SER 41 -3.333 20.906 1.420 243 HB3 SER 41 2HB SER 41 -2.926 23.477 0.843 244 HG SER 41 HG SER 41 -2.170 22.385 2.698 245 H ASN 42 H ASN 42 -5.364 20.611 0.887 246 HA ASN 42 HA ASN 42 -7.317 20.611 0.060 247 HB3 ASN 42 2HB ASN 42 -7.377 23.329 -1.051 248 HD21 ASN 42 1HD2 ASN 42 -9.458 21.707 -1.092 249 HD22 ASN 42 2HD2 ASN 42 -10.524 22.003 0.274 250 H ALA 43 H ALA 43 -5.514 22.249 -2.588 251 HA ALA 43 HA ALA 43 -6.044 20.022 -4.302 252 HB1 ALA 43 1HB ALA 43 -8.193 21.282 -4.632 253 HB2 ALA 43 2HB ALA 43 -7.260 22.722 -5.105 254 HB3 ALA 43 3HB ALA 43 -7.226 21.260 -6.114 255 H THR 44 H THR 44 -3.766 21.705 -3.148 256 HA THR 44 HA THR 44 -2.369 22.375 -5.684 257 HB THR 44 HB THR 44 -2.267 23.767 -2.984 258 HG1 THR 44 1HG THR 44 -3.486 25.325 -3.875 259 HG21 THR 44 3HG2 THR 44 -1.085 24.527 -5.697 260 HG22 THR 44 1HG2 THR 44 -0.179 24.058 -4.238 261 HG23 THR 44 2HG2 THR 44 -1.107 25.566 -4.258 262 HA PRO 45 HA PRO 45 0.280 19.251 -3.842 263 HB3 PRO 45 2HB PRO 45 0.572 18.496 -6.000 264 HG3 PRO 45 2HG PRO 45 0.787 19.998 -7.843 265 HD3 PRO 45 2HD PRO 45 -1.233 20.592 -6.751 266 H ILE 46 H ILE 46 1.671 19.546 -2.158 267 HA ILE 46 HA ILE 46 3.496 21.908 -2.146 268 HB ILE 46 HB ILE 46 2.261 20.460 0.216 269 HG13 ILE 46 2HG1 ILE 46 0.691 22.316 0.456 270 HG21 ILE 46 1HG2 ILE 46 3.794 23.063 -0.036 271 HG22 ILE 46 2HG2 ILE 46 2.769 22.713 1.365 272 HG23 ILE 46 3HG2 ILE 46 4.141 21.663 1.003 273 HD11 ILE 46 3HD1 ILE 46 0.099 23.731 -1.482 274 HD12 ILE 46 1HD1 ILE 46 1.700 24.135 -0.846 275 HD13 ILE 46 2HD1 ILE 46 1.542 23.192 -2.343 276 H SER 47 H SER 47 3.639 18.448 -2.209 277 HA SER 47 HA SER 47 6.519 18.611 -1.989 278 HB3 SER 47 2HB SER 47 6.581 16.574 -0.431 279 HG SER 47 HG SER 47 7.180 18.086 0.801 280 H PHE 48 H PHE 48 7.456 16.530 -2.595 281 HA PHE 48 HA PHE 48 5.940 14.595 -4.145 282 HB3 PHE 48 2HB PHE 48 7.783 16.410 -5.748 283 HD1 PHE 48 1HD PHE 48 4.277 15.588 -6.386 284 HD2 PHE 48 2HD PHE 48 8.351 14.441 -7.209 285 HE1 PHE 48 1HE PHE 48 3.501 14.199 -8.291 286 HE2 PHE 48 2HE PHE 48 7.562 13.020 -9.085 287 HZ PHE 48 HZ PHE 48 5.132 12.919 -9.636 288 H GLN 49 H GLN 49 7.192 12.781 -4.059 289 HA GLN 49 HA GLN 49 10.080 12.850 -4.364 290 HB3 GLN 49 2HB GLN 49 9.942 13.092 -1.926 291 HG3 GLN 49 2HG GLN 49 7.647 11.655 -1.876 292 HE21 GLN 49 1HE2 GLN 49 9.862 10.017 0.376 293 HE22 GLN 49 2HE2 GLN 49 9.494 8.449 -0.360 294 H MET 50 H MET 50 10.866 10.460 -4.528 295 HA MET 50 HA MET 50 8.749 8.543 -5.086 296 HB3 MET 50 2HB MET 50 9.712 7.842 -7.254 297 HG3 MET 50 2HG MET 50 9.218 10.827 -7.407 298 HE1 MET 50 3HE MET 50 10.679 10.765 -9.727 299 HE2 MET 50 1HE MET 50 10.976 9.045 -9.389 300 HE3 MET 50 2HE MET 50 10.367 9.551 -10.987 301 H PHE 51 H PHE 51 9.542 6.334 -4.930 302 HA PHE 51 HA PHE 51 12.173 5.844 -3.864 303 HB3 PHE 51 2HB PHE 51 11.429 6.745 -1.880 304 HD1 PHE 51 2HD PHE 51 8.253 6.065 -3.370 305 HD2 PHE 51 1HD PHE 51 10.294 6.151 0.425 306 HE1 PHE 51 2HE PHE 51 6.148 6.640 -2.234 307 HE2 PHE 51 1HE PHE 51 8.135 6.593 1.569 308 HZ PHE 51 HZ PHE 51 6.063 6.858 0.231 309 H ASP 52 H ASP 52 12.554 3.554 -3.518 310 HA ASP 52 HA ASP 52 10.671 1.761 -4.962 311 HB3 ASP 52 2HB ASP 52 13.295 1.020 -3.704 312 H TYR 53 H TYR 53 10.568 -0.414 -3.724 313 HA TYR 53 HA TYR 53 10.628 -0.087 -0.778 314 HB3 TYR 53 2HB TYR 53 8.471 -0.884 -0.436 315 HD1 TYR 53 1HD TYR 53 8.391 1.635 -0.085 316 HD2 TYR 53 2HD TYR 53 7.464 -0.160 -3.863 317 HE1 TYR 53 1HE TYR 53 7.287 3.739 -0.781 318 HE2 TYR 53 2HE TYR 53 6.366 1.902 -4.597 319 HH TYR 53 HH TYR 53 6.303 4.813 -2.492 320 H LYS 54 H LYS 54 10.746 -2.151 0.334 321 HA LYS 54 HA LYS 54 10.617 -4.575 -1.373 322 HB3 LYS 54 2HB LYS 54 12.357 -5.616 0.125 323 HG3 LYS 54 2HG LYS 54 14.350 -4.145 -0.767 324 HD3 LYS 54 2HD LYS 54 13.722 -6.289 -1.853 325 HE3 LYS 54 2HE LYS 54 11.897 -4.414 -3.390 326 HZ1 LYS 54 3HZ LYS 54 13.042 -5.369 -5.095 327 HZ2 LYS 54 1HZ LYS 54 11.690 -6.256 -4.993 328 HZ3 LYS 54 2HZ LYS 54 13.121 -6.877 -4.413 329 H ILE 55 H ILE 55 9.179 -5.966 -0.569 330 HA ILE 55 HA ILE 55 8.191 -5.572 2.213 331 HB ILE 55 HB ILE 55 7.316 -7.580 0.103 332 HG13 ILE 55 2HG1 ILE 55 5.239 -6.230 -0.057 333 HG21 ILE 55 1HG2 ILE 55 6.133 -6.848 2.819 334 HG22 ILE 55 2HG2 ILE 55 5.401 -7.923 1.612 335 HG23 ILE 55 3HG2 ILE 55 6.912 -8.388 2.365 336 HD11 ILE 55 3HD1 ILE 55 5.513 -4.807 2.024 337 HD12 ILE 55 1HD1 ILE 55 6.786 -3.919 1.149 338 HD13 ILE 55 2HD1 ILE 55 5.123 -3.928 0.538 339 H GLU 56 H GLU 56 9.796 -6.293 3.600 340 HA GLU 56 HA GLU 56 10.646 -9.129 3.186 341 HB3 GLU 56 2HB GLU 56 12.430 -7.093 4.538 342 HG3 GLU 56 2HG GLU 56 13.467 -9.321 2.786 343 H GLU 57 H GLU 57 8.434 -8.008 4.687 344 HA GLU 57 HA GLU 57 8.690 -9.455 7.027 345 HB3 GLU 57 2HB GLU 57 8.193 -6.922 8.230 346 HG3 GLU 57 2HG GLU 57 10.228 -7.327 9.547 347 H GLY 58 H GLY 58 6.769 -8.775 4.736 348 HA2 GLY 58 1HA GLY 58 4.449 -8.356 4.490 349 HA3 GLY 58 2HA GLY 58 4.313 -8.620 6.230 350 H ARG 59 H ARG 59 6.676 -6.245 5.559 351 HA ARG 59 HA ARG 59 4.860 -3.968 6.031 352 HB3 ARG 59 2HB ARG 59 6.571 -3.294 7.784 353 HG3 ARG 59 2HG ARG 59 6.247 -5.164 9.452 354 HD3 ARG 59 2HD ARG 59 3.974 -3.869 8.007 355 HE ARG 59 HE ARG 59 2.881 -5.888 8.669 356 HH11 ARG 59 1HH1 ARG 59 4.002 -3.966 11.508 357 HH12 ARG 59 2HH1 ARG 59 3.003 -4.838 12.589 358 HH21 ARG 59 1HH2 ARG 59 1.323 -6.766 10.179 359 HH22 ARG 59 2HH2 ARG 59 1.464 -6.337 11.850 360 H ILE 60 H ILE 60 5.992 -1.926 5.404 361 HA ILE 60 HA ILE 60 7.366 -2.549 2.846 362 HB ILE 60 HB ILE 60 6.391 0.190 3.710 363 HG13 ILE 60 2HG1 ILE 60 4.457 -1.264 3.792 364 HG21 ILE 60 1HG2 ILE 60 6.559 0.737 1.388 365 HG22 ILE 60 2HG2 ILE 60 8.066 -0.066 1.809 366 HG23 ILE 60 3HG2 ILE 60 6.793 -0.967 0.948 367 HD11 ILE 60 3HD1 ILE 60 3.007 -0.267 2.191 368 HD12 ILE 60 1HD1 ILE 60 4.229 0.955 2.636 369 HD13 ILE 60 2HD1 ILE 60 4.344 0.085 1.084 370 H TYR 61 H TYR 61 9.520 -2.573 2.868 371 HA TYR 61 HA TYR 61 11.032 -0.904 4.772 372 HB3 TYR 61 2HB TYR 61 12.011 -2.882 2.676 373 HD1 TYR 61 2HD TYR 61 12.761 -1.324 6.011 374 HD2 TYR 61 1HD TYR 61 14.319 -2.870 2.323 375 HE1 TYR 61 2HE TYR 61 15.010 -1.009 6.877 376 HE2 TYR 61 1HE TYR 61 16.647 -2.605 3.200 377 HH TYR 61 HH TYR 61 17.925 -2.079 5.046 378 H ILE 62 H ILE 62 11.335 1.129 4.158 379 HA ILE 62 HA ILE 62 11.573 1.960 1.316 380 HB ILE 62 HB ILE 62 11.937 3.555 3.917 381 HG13 ILE 62 2HG1 ILE 62 9.715 4.608 3.452 382 HG21 ILE 62 1HG2 ILE 62 11.671 4.400 1.009 383 HG22 ILE 62 2HG2 ILE 62 11.556 5.525 2.389 384 HG23 ILE 62 3HG2 ILE 62 13.051 4.636 2.095 385 HD11 ILE 62 3HD1 ILE 62 9.112 2.097 1.878 386 HD12 ILE 62 1HD1 ILE 62 8.039 3.476 2.172 387 HD13 ILE 62 2HD1 ILE 62 9.428 3.656 1.081 388 H TYR 63 H TYR 63 13.767 2.211 0.460 389 HA TYR 63 HA TYR 63 15.900 2.436 2.459 390 HB3 TYR 63 2HB TYR 63 15.652 0.044 2.151 391 HD1 TYR 63 1HD TYR 63 13.707 -0.100 0.104 392 HD2 TYR 63 2HD TYR 63 18.001 -0.163 -0.479 393 HE1 TYR 63 1HE TYR 63 13.413 -1.212 -2.019 394 HE2 TYR 63 2HE TYR 63 17.677 -1.482 -2.523 395 HH TYR 63 HH TYR 63 14.601 -1.719 -4.067 396 H ASP 64 H ASP 64 14.608 3.677 -0.257 397 HA ASP 64 HA ASP 64 17.000 4.905 -1.368 398 HB3 ASP 64 2HB ASP 64 17.207 3.009 -2.602 399 H VAL 65 H VAL 65 16.201 6.960 -1.223 400 HA VAL 65 HA VAL 65 13.556 7.508 -2.455 401 HB VAL 65 HB VAL 65 14.655 8.971 -0.025 402 HG11 VAL 65 1HG1 VAL 65 11.851 8.844 -1.251 403 HG12 VAL 65 2HG1 VAL 65 12.307 9.749 0.208 404 HG13 VAL 65 3HG1 VAL 65 12.976 10.186 -1.360 405 HG21 VAL 65 3HG2 VAL 65 14.306 6.723 0.788 406 HG22 VAL 65 1HG2 VAL 65 12.992 7.749 1.349 407 HG23 VAL 65 2HG2 VAL 65 12.723 6.625 -0.003 408 H TYR 66 H TYR 66 13.479 9.302 -3.691 409 HA TYR 66 HA TYR 66 15.797 11.165 -3.862 410 HB3 TYR 66 2HB TYR 66 14.866 9.270 -5.882 411 HD1 TYR 66 2HD TYR 66 12.513 10.351 -6.297 412 HD2 TYR 66 1HD TYR 66 16.254 12.039 -7.570 413 HE1 TYR 66 2HE TYR 66 11.287 11.839 -7.864 414 HE2 TYR 66 1HE TYR 66 15.071 13.475 -9.181 415 HH TYR 66 HH TYR 66 12.902 14.453 -9.542 416 HA PRO 67 HA PRO 67 15.980 13.047 -5.233 417 HB3 PRO 67 2HB PRO 67 14.803 14.777 -6.345 418 HG3 PRO 67 2HG PRO 67 13.234 16.186 -5.126 419 HD3 PRO 67 2HD PRO 67 12.388 13.977 -5.232 420 H ASP 68 H ASP 68 14.577 13.550 -2.126 421 HA ASP 68 HA ASP 68 17.151 14.473 -0.936 422 HB3 ASP 68 2HB ASP 68 15.583 14.807 1.083 423 H GLU 69 H GLU 69 18.224 12.570 -0.493 424 HA GLU 69 HA GLU 69 16.798 10.122 -0.094 425 HB3 GLU 69 2HB GLU 69 18.935 10.097 -1.183 426 HG3 GLU 69 2HG GLU 69 20.121 11.004 1.482 427 H LYS 70 H LYS 70 16.636 8.843 1.635 428 HA LYS 70 HA LYS 70 17.033 9.958 4.365 429 HB3 LYS 70 2HB LYS 70 14.913 8.670 4.855 430 HG3 LYS 70 2HG LYS 70 13.512 9.801 2.809 431 HD3 LYS 70 2HD LYS 70 13.258 10.410 5.207 432 HE3 LYS 70 2HE LYS 70 15.878 11.788 4.606 433 HZ1 LYS 70 3HZ LYS 70 14.447 13.530 5.376 434 HZ2 LYS 70 1HZ LYS 70 15.615 13.211 6.463 435 HZ3 LYS 70 2HZ LYS 70 14.055 12.701 6.741 436 H THR 71 H THR 71 17.162 8.341 6.093 437 HA THR 71 HA THR 71 18.812 6.056 5.632 438 HB THR 71 HB THR 71 18.614 7.423 7.705 439 HG1 THR 71 1HG THR 71 18.178 4.880 8.635 440 HG21 THR 71 3HG2 THR 71 16.127 7.465 7.783 441 HG22 THR 71 1HG2 THR 71 16.881 6.960 9.310 442 HG23 THR 71 2HG2 THR 71 16.150 5.746 8.226 443 HA PRO 72 HA PRO 72 15.555 3.202 4.481 444 HB3 PRO 72 2HB PRO 72 17.276 1.734 3.787 445 HG3 PRO 72 2HG PRO 72 19.274 1.518 4.984 446 HD3 PRO 72 2HD PRO 72 19.012 3.803 4.507 447 H TYR 73 H TYR 73 13.715 2.328 5.537 448 HA TYR 73 HA TYR 73 13.880 1.425 8.300 449 HB3 TYR 73 2HB TYR 73 13.677 3.749 8.797 450 HD1 TYR 73 1HD TYR 73 10.222 3.244 7.394 451 HD2 TYR 73 2HD TYR 73 13.828 5.600 7.240 452 HE1 TYR 73 1HE TYR 73 9.071 4.937 6.020 453 HE2 TYR 73 2HE TYR 73 12.648 7.329 5.932 454 HH TYR 73 HH TYR 73 9.083 7.123 5.262 455 H TYR 74 H TYR 74 11.761 0.683 9.085 456 HA TYR 74 HA TYR 74 10.144 -0.487 6.872 457 HB3 TYR 74 2HB TYR 74 9.095 -1.806 8.792 458 HD1 TYR 74 2HD TYR 74 12.812 -1.808 9.136 459 HD2 TYR 74 1HD TYR 74 9.364 -3.524 7.181 460 HE1 TYR 74 2HE TYR 74 14.290 -3.417 7.957 461 HE2 TYR 74 1HE TYR 74 10.866 -5.085 5.935 462 HH TYR 74 HH TYR 74 13.312 -6.112 6.606 463 H LEU 75 H LEU 75 7.939 -0.331 6.838 464 HA LEU 75 HA LEU 75 6.584 1.680 8.566 465 HB3 LEU 75 2HB LEU 75 5.114 2.046 6.547 466 HG LEU 75 HG LEU 75 8.056 2.696 6.048 467 HD11 LEU 75 1HD1 LEU 75 5.483 3.766 4.809 468 HD12 LEU 75 2HD1 LEU 75 6.725 2.792 4.015 469 HD13 LEU 75 3HD1 LEU 75 7.110 4.436 4.535 470 HD21 LEU 75 3HD2 LEU 75 7.193 4.979 6.933 471 HD22 LEU 75 1HD2 LEU 75 7.448 3.706 8.124 472 HD23 LEU 75 2HD2 LEU 75 5.809 4.077 7.552 473 H ASP 76 H ASP 76 4.930 0.897 9.598 474 HA ASP 76 HA ASP 76 3.989 -1.847 9.175 475 HB3 ASP 76 2HB ASP 76 2.421 -1.268 11.044 476 H CYS 77 H CYS 77 2.495 -2.183 7.533 477 HA CYS 77 HA CYS 77 0.273 -0.341 7.414 478 HB3 CYS 77 2HB CYS 77 0.288 0.245 5.198 479 HG CYS 77 HG CYS 77 2.640 1.024 6.579 480 H LYS 78 H LYS 78 -1.558 -1.323 6.410 481 HA LYS 78 HA LYS 78 -1.410 -4.238 5.905 482 HB3 LYS 78 2HB LYS 78 -3.532 -4.465 7.007 483 HG3 LYS 78 2HG LYS 78 -1.105 -4.362 8.252 484 HD3 LYS 78 2HD LYS 78 -1.933 -1.931 9.104 485 HE3 LYS 78 2HE LYS 78 -3.305 -4.020 10.851 486 HZ1 LYS 78 3HZ LYS 78 -3.171 -1.165 11.550 487 HZ2 LYS 78 1HZ LYS 78 -2.103 -2.270 12.116 488 HZ3 LYS 78 2HZ LYS 78 -3.699 -2.414 12.442 489 H ILE 79 H ILE 79 -3.186 -5.070 4.486 490 HA ILE 79 HA ILE 79 -4.600 -2.998 2.969 491 HB ILE 79 HB ILE 79 -2.255 -3.415 2.004 492 HG13 ILE 79 2HG1 ILE 79 -4.152 -2.366 0.768 493 HG21 ILE 79 1HG2 ILE 79 -3.472 -6.066 1.088 494 HG22 ILE 79 2HG2 ILE 79 -1.839 -5.485 0.818 495 HG23 ILE 79 3HG2 ILE 79 -2.328 -5.917 2.435 496 HD11 ILE 79 3HD1 ILE 79 -2.219 -4.117 -0.809 497 HD12 ILE 79 1HD1 ILE 79 -3.257 -2.909 -1.519 498 HD13 ILE 79 2HD1 ILE 79 -2.009 -2.416 -0.337 499 H SER 80 H SER 80 -6.295 -3.868 1.749 500 HA SER 80 HA SER 80 -6.770 -6.777 1.726 501 HB3 SER 80 2HB SER 80 -9.012 -5.170 2.752 502 HG SER 80 HG SER 80 -9.180 -7.223 3.975 503 H GLY 81 H GLY 81 -6.138 -5.389 -0.212 504 HA2 GLY 81 1HA GLY 81 -6.706 -5.631 -2.503 505 HA3 GLY 81 2HA GLY 81 -8.422 -5.590 -2.088 506 H THR 82 H THR 82 -9.249 -3.402 -1.289 507 HA THR 82 HA THR 82 -7.868 -1.253 -2.839 508 HB THR 82 HB THR 82 -9.995 -0.352 -3.400 509 HG1 THR 82 1HG THR 82 -11.383 -2.581 -2.402 510 HG21 THR 82 3HG2 THR 82 -10.783 -2.048 -4.956 511 HG22 THR 82 1HG2 THR 82 -9.919 -3.329 -4.070 512 HG23 THR 82 2HG2 THR 82 -9.014 -2.036 -4.892 513 H THR 83 H THR 83 -8.415 -1.958 0.394 514 HA THR 83 HA THR 83 -8.271 0.953 0.984 515 HB THR 83 HB THR 83 -8.961 -1.260 2.922 516 HG1 THR 83 1HG THR 83 -10.677 -0.836 1.499 517 HG21 THR 83 3HG2 THR 83 -9.119 1.781 3.271 518 HG22 THR 83 1HG2 THR 83 -7.833 0.765 3.944 519 HG23 THR 83 2HG2 THR 83 -9.479 0.543 4.502 520 H LEU 84 H LEU 84 -6.270 1.574 1.536 521 HA LEU 84 HA LEU 84 -4.172 -0.348 2.493 522 HB3 LEU 84 2HB LEU 84 -3.664 2.593 2.152 523 HG LEU 84 HG LEU 84 -1.989 0.403 0.983 524 HD11 LEU 84 1HD1 LEU 84 -0.246 2.171 1.044 525 HD12 LEU 84 2HD1 LEU 84 -1.448 3.302 1.680 526 HD13 LEU 84 3HD1 LEU 84 -1.645 2.610 0.060 527 HD21 LEU 84 3HD2 LEU 84 -1.749 1.383 3.778 528 HD22 LEU 84 1HD2 LEU 84 -0.416 0.652 2.847 529 HD23 LEU 84 2HD2 LEU 84 -1.866 -0.282 3.152 530 H LYS 85 H LYS 85 -3.730 -0.267 4.690 531 HA LYS 85 HA LYS 85 -4.472 2.202 6.242 532 HB3 LYS 85 2HB LYS 85 -4.422 -0.696 7.195 533 HG3 LYS 85 2HG LYS 85 -4.874 1.949 8.650 534 HD3 LYS 85 2HD LYS 85 -6.192 -0.719 9.307 535 HE3 LYS 85 2HE LYS 85 -6.033 1.793 10.995 536 HZ1 LYS 85 3HZ LYS 85 -7.741 -0.616 11.398 537 HZ2 LYS 85 1HZ LYS 85 -8.293 0.888 11.105 538 HZ3 LYS 85 2HZ LYS 85 -7.481 0.567 12.487 539 H VAL 86 H VAL 86 -2.447 3.197 5.791 540 HA VAL 86 HA VAL 86 0.048 1.907 6.604 541 HB VAL 86 HB VAL 86 -0.512 4.825 5.956 542 HG11 VAL 86 1HG1 VAL 86 1.894 4.913 5.479 543 HG12 VAL 86 2HG1 VAL 86 1.635 4.303 7.119 544 HG13 VAL 86 3HG1 VAL 86 2.066 3.187 5.832 545 HG21 VAL 86 3HG2 VAL 86 0.330 4.359 3.667 546 HG22 VAL 86 1HG2 VAL 86 0.270 2.624 4.001 547 HG23 VAL 86 2HG2 VAL 86 -1.219 3.590 3.979 548 H GLU 87 H GLU 87 0.604 1.771 8.783 549 HA GLU 87 HA GLU 87 -1.043 3.184 10.727 550 HB3 GLU 87 2HB GLU 87 0.176 2.071 12.397 551 HG3 GLU 87 2HG GLU 87 0.118 -0.131 10.356 552 H THR 88 H THR 88 2.335 3.457 9.438 553 HA THR 88 HA THR 88 2.700 5.940 10.997 554 HB THR 88 HB THR 88 3.359 4.024 12.389 555 HG1 THR 88 1HG THR 88 4.409 6.096 12.498 556 HG21 THR 88 3HG2 THR 88 4.090 2.477 10.631 557 HG22 THR 88 1HG2 THR 88 5.331 2.702 11.866 558 HG23 THR 88 2HG2 THR 88 5.490 3.515 10.289 559 H GLY 89 H GLY 89 5.007 6.889 10.455 560 HA2 GLY 89 1HA GLY 89 6.614 7.482 8.940 561 HA3 GLY 89 2HA GLY 89 5.882 6.458 7.722 562 H SER 90 H SER 90 6.524 8.629 6.690 563 HA SER 90 HA SER 90 5.046 10.986 7.025 564 HB3 SER 90 2HB SER 90 5.932 11.398 4.734 565 HG SER 90 HG SER 90 7.369 11.772 6.438 566 H GLU 91 H GLU 91 4.196 8.026 5.495 567 HA GLU 91 HA GLU 91 1.881 9.282 4.110 568 HB3 GLU 91 2HB GLU 91 1.756 7.495 2.655 569 HG3 GLU 91 2HG GLU 91 3.914 9.053 2.544 570 H ALA 92 H ALA 92 2.239 8.233 7.062 571 HA ALA 92 HA ALA 92 0.402 6.184 7.623 572 HB1 ALA 92 1HB ALA 92 0.991 8.700 9.246 573 HB2 ALA 92 2HB ALA 92 0.238 7.210 9.869 574 HB3 ALA 92 3HB ALA 92 1.913 7.204 9.294 575 H GLY 93 H GLY 93 -1.574 6.045 6.868 576 HA2 GLY 93 1HA GLY 93 -3.692 7.910 7.456 577 HA3 GLY 93 2HA GLY 93 -3.170 8.072 5.783 578 H THR 94 H THR 94 -5.503 7.376 5.487 579 HA THR 94 HA THR 94 -5.636 4.445 5.178 580 HB THR 94 HB THR 94 -6.890 4.943 7.155 581 HG1 THR 94 1HG THR 94 -8.705 3.952 6.542 582 HG21 THR 94 3HG2 THR 94 -8.626 6.855 5.538 583 HG22 THR 94 1HG2 THR 94 -7.450 7.336 6.783 584 HG23 THR 94 2HG2 THR 94 -8.854 6.361 7.225 585 H TYR 95 H TYR 95 -6.009 3.934 3.088 586 HA TYR 95 HA TYR 95 -6.624 6.215 1.254 587 HB3 TYR 95 2HB TYR 95 -4.972 5.313 -0.276 588 HD1 TYR 95 2HD TYR 95 -3.543 5.058 3.223 589 HD2 TYR 95 1HD TYR 95 -3.853 7.328 -0.426 590 HE1 TYR 95 2HE TYR 95 -2.026 6.777 4.146 591 HE2 TYR 95 1HE TYR 95 -2.434 9.082 0.516 592 HH TYR 95 HH TYR 95 -0.824 9.396 2.187 593 H LYS 96 H LYS 96 -7.712 5.702 -0.644 594 HA LYS 96 HA LYS 96 -8.647 2.898 -0.888 595 HB3 LYS 96 2HB LYS 96 -9.720 5.196 -2.524 596 HG3 LYS 96 2HG LYS 96 -10.067 2.506 -2.785 597 HD3 LYS 96 2HD LYS 96 -11.093 2.456 -0.411 598 HE3 LYS 96 2HE LYS 96 -13.307 3.685 -2.116 599 HZ1 LYS 96 3HZ LYS 96 -14.211 1.895 -0.873 600 HZ2 LYS 96 1HZ LYS 96 -14.726 3.286 -0.218 601 HZ3 LYS 96 2HZ LYS 96 -13.535 2.457 0.550 602 H LYS 97 H LYS 97 -8.210 1.854 -2.845 603 HA LYS 97 HA LYS 97 -5.934 2.517 -4.465 604 HB3 LYS 97 2HB LYS 97 -8.312 0.639 -4.873 605 HG3 LYS 97 2HG LYS 97 -5.792 1.051 -6.456 606 HD3 LYS 97 2HD LYS 97 -6.730 -1.432 -7.296 607 HE3 LYS 97 2HE LYS 97 -4.580 -1.277 -5.239 608 HZ1 LYS 97 3HZ LYS 97 -3.321 -2.403 -6.923 609 HZ2 LYS 97 1HZ LYS 97 -4.531 -2.351 -8.016 610 HZ3 LYS 97 2HZ LYS 97 -4.667 -3.264 -6.625 611 H GLN 98 H GLN 98 -5.908 3.360 -6.599 612 HA GLN 98 HA GLN 98 -8.286 4.829 -7.635 613 HB3 GLN 98 2HB GLN 98 -6.703 6.827 -7.866 614 HG3 GLN 98 2HG GLN 98 -6.661 7.501 -5.526 615 HE21 GLN 98 1HE2 GLN 98 -9.475 5.549 -5.025 616 HE22 GLN 98 2HE2 GLN 98 -10.655 6.757 -5.516 617 H LYS 99 H LYS 99 -6.467 2.536 -8.474 618 HA LYS 99 HA LYS 99 -6.055 1.504 -10.487 619 HB3 LYS 99 2HB LYS 99 -6.580 4.122 -11.890 620 HG3 LYS 99 2HG LYS 99 -6.570 1.250 -12.897 621 HD3 LYS 99 2HD LYS 99 -7.107 3.948 -14.216 622 HE3 LYS 99 2HE LYS 99 -7.067 1.165 -15.453 623 HZ1 LYS 99 3HZ LYS 99 -7.498 2.389 -17.466 624 HZ2 LYS 99 1HZ LYS 99 -7.587 3.818 -16.655 625 HZ3 LYS 99 2HZ LYS 99 -8.728 2.659 -16.390 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -12.173 -10.706 14.477 2 HA2 GLY 1 1HA GLY 1 -11.242 -8.543 15.256 3 HA3 GLY 1 2HA GLY 1 -10.077 -9.522 14.338 4 H GLU 2 H GLU 2 -8.971 -7.430 13.765 5 HA GLU 2 HA GLU 2 -10.288 -6.252 11.379 6 HB3 GLU 2 2HB GLU 2 -9.340 -4.468 12.542 7 HG3 GLU 2 2HG GLU 2 -6.929 -6.189 13.046 8 H ASP 3 H ASP 3 -10.400 -8.134 10.275 9 HA ASP 3 HA ASP 3 -8.177 -10.008 10.152 10 HB3 ASP 3 2HB ASP 3 -9.676 -11.249 8.606 11 H TRP 4 H TRP 4 -6.598 -8.729 9.331 12 HA TRP 4 HA TRP 4 -6.804 -7.619 6.601 13 HB3 TRP 4 2HB TRP 4 -4.429 -6.960 6.965 14 HD1 TRP 4 HD TRP 4 -5.785 -5.992 10.290 15 HE1 TRP 4 1HE TRP 4 -6.676 -3.590 10.231 16 HE3 TRP 4 3HE TRP 4 -5.939 -5.460 5.314 17 HZ2 TRP 4 2HZ TRP 4 -7.824 -1.789 8.041 18 HZ3 TRP 4 3HZ TRP 4 -6.968 -3.455 4.215 19 HH2 TRP 4 HH TRP 4 -7.891 -1.654 5.631 20 H THR 5 H THR 5 -5.487 -8.368 4.792 21 HA THR 5 HA THR 5 -4.602 -11.123 4.899 22 HB THR 5 HB THR 5 -4.148 -9.728 2.404 23 HG1 THR 5 1HG THR 5 -6.908 -9.649 2.995 24 HG21 THR 5 3HG2 THR 5 -4.749 -12.042 2.462 25 HG22 THR 5 1HG2 THR 5 -6.030 -11.168 1.617 26 HG23 THR 5 2HG2 THR 5 -6.284 -11.660 3.311 27 H GLU 6 H GLU 6 -2.525 -11.435 3.514 28 HA GLU 6 HA GLU 6 -0.321 -10.031 4.726 29 HB3 GLU 6 2HB GLU 6 0.862 -11.437 2.830 30 HG3 GLU 6 2HG GLU 6 -0.658 -12.433 5.273 31 H LEU 7 H LEU 7 0.534 -8.200 4.085 32 HA LEU 7 HA LEU 7 0.103 -6.870 1.549 33 HB3 LEU 7 2HB LEU 7 2.326 -6.741 3.585 34 HG LEU 7 HG LEU 7 2.835 -5.554 1.374 35 HD11 LEU 7 1HD1 LEU 7 0.633 -4.684 0.809 36 HD12 LEU 7 2HD1 LEU 7 1.734 -3.331 1.114 37 HD13 LEU 7 3HD1 LEU 7 0.557 -3.800 2.361 38 HD21 LEU 7 3HD2 LEU 7 2.597 -4.165 4.045 39 HD22 LEU 7 1HD2 LEU 7 3.452 -3.408 2.664 40 HD23 LEU 7 2HD2 LEU 7 4.016 -4.950 3.310 41 H ASN 8 H ASN 8 1.060 -7.281 -0.340 42 HA ASN 8 HA ASN 8 3.661 -8.634 -0.428 43 HB3 ASN 8 2HB ASN 8 2.246 -10.551 -0.560 44 HD21 ASN 8 1HD2 ASN 8 -0.113 -10.138 -0.200 45 HD22 ASN 8 2HD2 ASN 8 -1.147 -10.145 -1.609 46 H SER 9 H SER 9 4.413 -8.698 -2.617 47 HA SER 9 HA SER 9 4.535 -6.179 -3.900 48 HB3 SER 9 2HB SER 9 6.476 -7.311 -3.997 49 HG SER 9 HG SER 9 5.731 -9.773 -4.917 50 H ASN 10 H ASN 10 1.753 -7.537 -3.987 51 HA ASN 10 HA ASN 10 1.296 -6.900 -6.823 52 HB3 ASN 10 2HB ASN 10 -0.374 -9.179 -6.130 53 HD21 ASN 10 1HD2 ASN 10 2.666 -8.303 -7.922 54 HD22 ASN 10 2HD2 ASN 10 2.021 -8.669 -9.508 55 H ASN 11 H ASN 11 -0.393 -7.773 -3.708 56 HA ASN 11 HA ASN 11 -2.711 -6.337 -4.577 57 HB3 ASN 11 2HB ASN 11 -3.050 -7.936 -2.904 58 HD21 ASN 11 1HD2 ASN 11 -3.273 -8.451 -0.486 59 HD22 ASN 11 2HD2 ASN 11 -1.761 -8.347 0.368 60 H ILE 12 H ILE 12 0.249 -5.107 -3.065 61 HA ILE 12 HA ILE 12 -0.752 -2.557 -2.318 62 HB ILE 12 HB ILE 12 1.203 -3.693 -1.473 63 HG13 ILE 12 2HG1 ILE 12 1.939 -0.968 -2.598 64 HG21 ILE 12 1HG2 ILE 12 2.825 -2.897 -3.903 65 HG22 ILE 12 2HG2 ILE 12 3.275 -3.972 -2.580 66 HG23 ILE 12 3HG2 ILE 12 2.099 -4.508 -3.777 67 HD11 ILE 12 3HD1 ILE 12 1.671 -0.894 0.193 68 HD12 ILE 12 1HD1 ILE 12 0.523 -0.232 -0.992 69 HD13 ILE 12 2HD1 ILE 12 0.321 -1.877 -0.310 70 H ILE 13 H ILE 13 0.062 -3.810 -5.460 71 HA ILE 13 HA ILE 13 1.296 -1.490 -6.498 72 HB ILE 13 HB ILE 13 -0.034 -3.759 -8.034 73 HG13 ILE 13 2HG1 ILE 13 2.101 -4.931 -8.044 74 HG21 ILE 13 1HG2 ILE 13 2.176 -1.790 -8.763 75 HG22 ILE 13 2HG2 ILE 13 1.753 -3.210 -9.724 76 HG23 ILE 13 3HG2 ILE 13 0.567 -1.923 -9.478 77 HD11 ILE 13 3HD1 ILE 13 3.876 -4.376 -6.447 78 HD12 ILE 13 1HD1 ILE 13 3.683 -3.111 -7.662 79 HD13 ILE 13 2HD1 ILE 13 3.058 -2.849 -6.053 80 H GLY 14 H GLY 14 0.548 0.312 -7.372 81 HA2 GLY 14 1HA GLY 14 -0.990 1.207 -9.101 82 HA3 GLY 14 2HA GLY 14 -2.328 0.586 -8.127 83 H TYR 15 H TYR 15 -2.890 2.940 -8.350 84 HA TYR 15 HA TYR 15 -1.511 4.900 -6.651 85 HB3 TYR 15 2HB TYR 15 -3.593 6.238 -7.393 86 HD1 TYR 15 1HD TYR 15 -1.604 7.523 -7.557 87 HD2 TYR 15 2HD TYR 15 -2.763 4.732 -10.598 88 HE1 TYR 15 1HE TYR 15 -0.128 8.719 -9.178 89 HE2 TYR 15 2HE TYR 15 -1.254 5.857 -12.230 90 HH TYR 15 HH TYR 15 0.737 7.606 -12.325 91 H TRP 16 H TRP 16 -2.773 6.078 -4.951 92 HA TRP 16 HA TRP 16 -5.005 4.599 -3.642 93 HB3 TRP 16 2HB TRP 16 -3.859 4.755 -1.502 94 HD1 TRP 16 HD TRP 16 -0.884 3.644 -3.646 95 HE1 TRP 16 1HE TRP 16 -0.747 1.081 -3.706 96 HE3 TRP 16 3HE TRP 16 -5.236 2.529 -1.195 97 HZ2 TRP 16 2HZ TRP 16 -2.411 -1.158 -3.014 98 HZ3 TRP 16 3HZ TRP 16 -5.971 0.095 -1.005 99 HH2 TRP 16 HH TRP 16 -4.633 -1.648 -2.017 100 H SER 17 H SER 17 -6.314 6.228 -2.232 101 HA SER 17 HA SER 17 -5.058 8.859 -1.985 102 HB3 SER 17 2HB SER 17 -6.336 8.994 -4.108 103 HG SER 17 HG SER 17 -8.561 9.224 -3.929 104 H THR 18 H THR 18 -6.399 10.340 -0.535 105 HA THR 18 HA THR 18 -7.661 8.818 1.683 106 HB THR 18 HB THR 18 -5.220 9.175 1.925 107 HG1 THR 18 1HG THR 18 -6.563 8.990 3.755 108 HG21 THR 18 3HG2 THR 18 -4.281 11.314 2.422 109 HG22 THR 18 1HG2 THR 18 -5.853 12.134 2.329 110 HG23 THR 18 2HG2 THR 18 -5.071 11.488 0.874 111 H GLY 19 H GLY 19 -8.142 11.366 -0.492 112 HA2 GLY 19 1HA GLY 19 -10.448 12.467 0.131 113 HA3 GLY 19 2HA GLY 19 -9.395 13.237 1.347 114 H ILE 20 H ILE 20 -10.474 14.908 -0.462 115 HA ILE 20 HA ILE 20 -8.327 15.549 -2.420 116 HB ILE 20 HB ILE 20 -10.045 15.923 -4.097 117 HG13 ILE 20 2HG1 ILE 20 -11.963 16.497 -2.601 118 HG21 ILE 20 1HG2 ILE 20 -10.355 13.110 -2.972 119 HG22 ILE 20 2HG2 ILE 20 -10.464 13.630 -4.654 120 HG23 ILE 20 3HG2 ILE 20 -8.912 13.699 -3.837 121 HD11 ILE 20 3HD1 ILE 20 -12.702 14.112 -4.323 122 HD12 ILE 20 1HD1 ILE 20 -13.751 15.424 -3.786 123 HD13 ILE 20 2HD1 ILE 20 -12.449 15.766 -4.945 124 H GLU 21 H GLU 21 -8.861 16.737 0.225 125 HA GLU 21 HA GLU 21 -9.760 19.480 -0.529 126 HB3 GLU 21 2HB GLU 21 -10.715 19.606 1.772 127 HG3 GLU 21 2HG GLU 21 -12.003 17.280 0.304 128 H GLY 22 H GLY 22 -9.206 21.042 1.189 129 HA2 GLY 22 1HA GLY 22 -7.709 22.229 2.480 130 HA3 GLY 22 2HA GLY 22 -8.132 20.829 3.432 131 H THR 23 H THR 23 -6.481 19.083 3.585 132 HA THR 23 HA THR 23 -4.047 19.402 2.049 133 HB THR 23 HB THR 23 -3.981 18.854 5.043 134 HG1 THR 23 1HG THR 23 -2.379 20.801 4.132 135 HG21 THR 23 3HG2 THR 23 -1.488 18.816 4.671 136 HG22 THR 23 1HG2 THR 23 -1.790 18.829 2.914 137 HG23 THR 23 2HG2 THR 23 -2.332 17.463 3.904 138 H HIS 24 H HIS 24 -3.930 17.530 0.859 139 HA HIS 24 HA HIS 24 -4.630 15.027 2.144 140 HB3 HIS 24 2HB HIS 24 -6.609 15.623 0.843 141 HD1 HIS 24 1HD HIS 24 -6.599 17.879 -0.638 142 HD2 HIS 24 2HD HIS 24 -4.633 14.542 -2.241 143 HE1 HIS 24 1HE HIS 24 -6.352 18.325 -3.166 144 H LYS 25 H LYS 25 -3.922 13.527 -0.161 145 HA LYS 25 HA LYS 25 -1.124 13.929 -0.725 146 HB3 LYS 25 2HB LYS 25 -0.276 13.439 1.210 147 HG3 LYS 25 2HG LYS 25 -2.302 11.663 2.291 148 HD3 LYS 25 2HD LYS 25 -0.044 12.925 3.368 149 HE3 LYS 25 2HE LYS 25 -1.475 14.815 4.183 150 HZ1 LYS 25 3HZ LYS 25 -3.616 13.934 4.764 151 HZ2 LYS 25 1HZ LYS 25 -2.857 14.016 6.201 152 HZ3 LYS 25 2HZ LYS 25 -2.993 12.581 5.434 153 H LEU 26 H LEU 26 -0.333 12.137 -1.914 154 HA LEU 26 HA LEU 26 -2.254 10.138 -2.922 155 HB3 LEU 26 2HB LEU 26 -0.612 11.613 -4.960 156 HG LEU 26 HG LEU 26 -2.575 11.469 -6.347 157 HD11 LEU 26 1HD1 LEU 26 -2.841 9.115 -6.618 158 HD12 LEU 26 2HD1 LEU 26 -2.215 8.794 -4.999 159 HD13 LEU 26 3HD1 LEU 26 -1.137 9.488 -6.231 160 HD21 LEU 26 3HD2 LEU 26 -4.101 10.231 -4.022 161 HD22 LEU 26 1HD2 LEU 26 -4.689 10.502 -5.672 162 HD23 LEU 26 2HD2 LEU 26 -4.307 11.883 -4.628 163 H LEU 27 H LEU 27 -1.217 8.179 -3.229 164 HA LEU 27 HA LEU 27 1.749 8.022 -3.314 165 HB3 LEU 27 2HB LEU 27 1.266 5.612 -2.578 166 HG LEU 27 HG LEU 27 0.541 7.879 -0.753 167 HD11 LEU 27 1HD1 LEU 27 -0.593 5.889 0.067 168 HD12 LEU 27 2HD1 LEU 27 0.703 6.432 1.136 169 HD13 LEU 27 3HD1 LEU 27 0.955 5.006 0.093 170 HD21 LEU 27 3HD2 LEU 27 3.074 6.378 -1.377 171 HD22 LEU 27 1HD2 LEU 27 2.840 6.907 0.289 172 HD23 LEU 27 2HD2 LEU 27 2.811 8.091 -1.018 173 H SER 28 H SER 28 2.529 6.334 -4.735 174 HA SER 28 HA SER 28 0.681 4.713 -6.273 175 HB3 SER 28 2HB SER 28 2.892 6.408 -7.486 176 HG SER 28 HG SER 28 1.481 4.425 -8.916 177 H PHE 29 H PHE 29 1.733 2.783 -6.793 178 HA PHE 29 HA PHE 29 4.553 2.376 -6.121 179 HB3 PHE 29 2HB PHE 29 4.131 0.270 -4.907 180 HD1 PHE 29 2HD PHE 29 5.628 1.929 -3.628 181 HD2 PHE 29 1HD PHE 29 1.328 2.094 -3.452 182 HE1 PHE 29 2HE PHE 29 5.765 3.398 -1.635 183 HE2 PHE 29 1HE PHE 29 1.456 3.542 -1.456 184 HZ PHE 29 HZ PHE 29 3.682 4.273 -0.592 185 H ASP 30 H ASP 30 5.428 1.351 -7.810 186 HA ASP 30 HA ASP 30 3.696 -0.182 -9.713 187 HB3 ASP 30 2HB ASP 30 6.250 -0.280 -10.718 188 H GLU 31 H GLU 31 4.621 -2.236 -10.607 189 HA GLU 31 HA GLU 31 5.548 -3.923 -8.438 190 HB3 GLU 31 2HB GLU 31 5.115 -4.708 -11.346 191 HG3 GLU 31 2HG GLU 31 3.858 -6.621 -10.145 192 H ASP 32 H ASP 32 6.886 -2.365 -11.326 193 HA ASP 32 HA ASP 32 9.565 -3.385 -10.532 194 HB3 ASP 32 2HB ASP 32 8.531 -3.448 -13.330 195 H GLY 33 H GLY 33 8.222 -0.877 -10.090 196 HA2 GLY 33 1HA GLY 33 10.022 0.951 -11.661 197 HA3 GLY 33 2HA GLY 33 8.361 1.406 -11.268 198 H THR 34 H THR 34 8.147 2.569 -9.463 199 HA THR 34 HA THR 34 9.623 1.972 -7.044 200 HB THR 34 HB THR 34 10.175 4.428 -6.750 201 HG1 THR 34 1HG THR 34 10.329 5.648 -8.645 202 HG21 THR 34 3HG2 THR 34 11.894 2.731 -7.498 203 HG22 THR 34 1HG2 THR 34 12.248 4.416 -7.897 204 HG23 THR 34 2HG2 THR 34 11.652 3.319 -9.151 205 H GLY 35 H GLY 35 8.648 3.936 -5.463 206 HA2 GLY 35 1HA GLY 35 5.757 4.192 -6.036 207 HA3 GLY 35 2HA GLY 35 6.422 4.124 -4.391 208 H SER 36 H SER 36 4.893 6.208 -5.120 209 HA SER 36 HA SER 36 6.860 8.428 -4.861 210 HB3 SER 36 2HB SER 36 6.052 8.586 -7.139 211 HG SER 36 HG SER 36 3.863 8.671 -7.594 212 H PHE 37 H PHE 37 5.821 10.399 -3.902 213 HA PHE 37 HA PHE 37 3.432 9.966 -2.252 214 HB3 PHE 37 2HB PHE 37 6.249 10.295 -1.169 215 HD1 PHE 37 2HD PHE 37 2.791 10.089 0.113 216 HD2 PHE 37 1HD PHE 37 6.674 11.815 0.611 217 HE1 PHE 37 2HE PHE 37 1.899 11.631 1.937 218 HE2 PHE 37 1HE PHE 37 5.891 13.090 2.572 219 HZ PHE 37 HZ PHE 37 3.499 12.994 3.239 220 H GLY 38 H GLY 38 2.297 11.753 -3.051 221 HA2 GLY 38 1HA GLY 38 3.727 14.362 -3.159 222 HA3 GLY 38 2HA GLY 38 2.472 13.872 -4.294 223 H ILE 39 H ILE 39 3.103 15.328 -1.288 224 HA ILE 39 HA ILE 39 0.385 15.132 -0.138 225 HB ILE 39 HB ILE 39 2.516 17.210 0.516 226 HG13 ILE 39 2HG1 ILE 39 3.542 14.979 0.836 227 HG21 ILE 39 1HG2 ILE 39 1.279 17.506 2.573 228 HG22 ILE 39 2HG2 ILE 39 0.086 17.520 1.285 229 HG23 ILE 39 3HG2 ILE 39 0.279 16.060 2.245 230 HD11 ILE 39 3HD1 ILE 39 3.963 16.835 2.519 231 HD12 ILE 39 1HD1 ILE 39 2.758 16.044 3.565 232 HD13 ILE 39 2HD1 ILE 39 4.228 15.187 3.107 233 H TYR 40 H TYR 40 -1.250 16.663 -0.670 234 HA TYR 40 HA TYR 40 -0.607 18.952 -2.470 235 HB3 TYR 40 2HB TYR 40 -2.946 18.547 -3.372 236 HD1 TYR 40 1HD TYR 40 -1.506 15.118 -3.299 237 HD2 TYR 40 2HD TYR 40 -1.797 18.823 -5.451 238 HE1 TYR 40 1HE TYR 40 -0.579 14.021 -5.317 239 HE2 TYR 40 2HE TYR 40 -0.936 17.734 -7.489 240 HH TYR 40 HH TYR 40 0.213 15.762 -8.269 241 H SER 41 H SER 41 -1.641 20.897 -1.777 242 HA SER 41 HA SER 41 -3.508 20.644 0.524 243 HB3 SER 41 2HB SER 41 -2.860 23.396 -0.139 244 HG SER 41 HG SER 41 -3.774 22.347 1.837 245 H ASN 42 H ASN 42 -5.544 21.222 0.127 246 HA ASN 42 HA ASN 42 -7.447 21.337 -1.014 247 HB3 ASN 42 2HB ASN 42 -6.453 23.968 -2.123 248 HD21 ASN 42 1HD2 ASN 42 -8.821 23.431 0.420 249 HD22 ASN 42 2HD2 ASN 42 -10.246 23.315 -0.568 250 H ALA 43 H ALA 43 -5.546 22.915 -3.483 251 HA ALA 43 HA ALA 43 -5.562 20.601 -5.209 252 HB1 ALA 43 1HB ALA 43 -7.714 21.343 -5.942 253 HB2 ALA 43 2HB ALA 43 -7.167 23.027 -6.085 254 HB3 ALA 43 3HB ALA 43 -6.566 21.781 -7.204 255 H THR 44 H THR 44 -3.345 21.462 -4.180 256 HA THR 44 HA THR 44 -1.843 22.333 -6.498 257 HB THR 44 HB THR 44 -1.689 23.821 -3.828 258 HG1 THR 44 1HG THR 44 -3.116 24.170 -6.038 259 HG21 THR 44 3HG2 THR 44 -0.064 24.223 -6.387 260 HG22 THR 44 1HG2 THR 44 0.563 23.656 -4.827 261 HG23 THR 44 2HG2 THR 44 -0.073 25.301 -4.977 262 HA PRO 45 HA PRO 45 0.661 19.138 -4.394 263 HB3 PRO 45 2HB PRO 45 1.331 18.351 -6.473 264 HG3 PRO 45 2HG PRO 45 1.509 19.816 -8.330 265 HD3 PRO 45 2HD PRO 45 -0.619 20.374 -7.495 266 H ILE 46 H ILE 46 2.086 19.367 -2.717 267 HA ILE 46 HA ILE 46 3.752 21.859 -2.600 268 HB ILE 46 HB ILE 46 2.323 20.632 -0.236 269 HG13 ILE 46 2HG1 ILE 46 0.692 22.402 -0.243 270 HG21 ILE 46 1HG2 ILE 46 3.764 23.282 -0.623 271 HG22 ILE 46 2HG2 ILE 46 2.748 22.912 0.778 272 HG23 ILE 46 3HG2 ILE 46 4.208 21.955 0.470 273 HD11 ILE 46 3HD1 ILE 46 1.677 24.299 -1.305 274 HD12 ILE 46 1HD1 ILE 46 1.951 23.415 -2.813 275 HD13 ILE 46 2HD1 ILE 46 0.300 23.791 -2.297 276 H SER 47 H SER 47 3.654 18.352 -2.185 277 HA SER 47 HA SER 47 6.535 18.513 -1.847 278 HB3 SER 47 2HB SER 47 4.885 16.733 -0.012 279 HG SER 47 HG SER 47 6.878 16.282 0.924 280 H PHE 48 H PHE 48 7.410 16.450 -2.241 281 HA PHE 48 HA PHE 48 6.120 14.535 -3.993 282 HB3 PHE 48 2HB PHE 48 8.077 16.498 -5.282 283 HD1 PHE 48 2HD PHE 48 5.024 14.446 -6.166 284 HD2 PHE 48 1HD PHE 48 9.095 15.465 -7.157 285 HE1 PHE 48 2HE PHE 48 4.856 13.140 -8.257 286 HE2 PHE 48 1HE PHE 48 8.940 14.092 -9.205 287 HZ PHE 48 HZ PHE 48 6.801 12.935 -9.771 288 H GLN 49 H GLN 49 7.401 12.707 -3.836 289 HA GLN 49 HA GLN 49 10.251 12.909 -4.052 290 HB3 GLN 49 2HB GLN 49 10.209 12.949 -1.607 291 HG3 GLN 49 2HG GLN 49 8.431 10.488 -1.824 292 HE21 GLN 49 1HE2 GLN 49 9.952 9.080 -0.616 293 HE22 GLN 49 2HE2 GLN 49 10.166 9.372 1.095 294 H MET 50 H MET 50 11.091 10.741 -4.636 295 HA MET 50 HA MET 50 9.047 8.707 -5.269 296 HB3 MET 50 2HB MET 50 9.896 8.280 -7.427 297 HG3 MET 50 2HG MET 50 9.789 11.320 -7.329 298 HE1 MET 50 3HE MET 50 11.577 11.040 -9.614 299 HE2 MET 50 1HE MET 50 11.455 9.281 -9.425 300 HE3 MET 50 2HE MET 50 11.094 10.020 -10.981 301 H PHE 51 H PHE 51 9.929 6.558 -5.057 302 HA PHE 51 HA PHE 51 12.617 6.212 -4.033 303 HB3 PHE 51 2HB PHE 51 11.785 7.286 -2.073 304 HD1 PHE 51 2HD PHE 51 9.521 8.429 -2.725 305 HD2 PHE 51 1HD PHE 51 9.841 4.537 -0.949 306 HE1 PHE 51 2HE PHE 51 7.138 8.500 -2.166 307 HE2 PHE 51 1HE PHE 51 7.448 4.638 -0.298 308 HZ PHE 51 HZ PHE 51 6.055 6.598 -0.962 309 H ASP 52 H ASP 52 13.152 4.072 -3.933 310 HA ASP 52 HA ASP 52 11.455 2.075 -5.202 311 HB3 ASP 52 2HB ASP 52 13.336 0.527 -4.287 312 H TYR 53 H TYR 53 11.228 -0.149 -3.962 313 HA TYR 53 HA TYR 53 11.398 -0.012 -1.138 314 HB3 TYR 53 2HB TYR 53 9.072 0.848 -1.317 315 HD1 TYR 53 1HD TYR 53 8.465 0.862 -3.908 316 HD2 TYR 53 2HD TYR 53 7.855 -2.519 -1.312 317 HE1 TYR 53 1HE TYR 53 6.851 -0.059 -5.527 318 HE2 TYR 53 2HE TYR 53 6.187 -3.436 -2.923 319 HH TYR 53 HH TYR 53 5.596 -1.973 -6.105 320 H LYS 54 H LYS 54 10.818 -2.246 -0.173 321 HA LYS 54 HA LYS 54 10.394 -4.349 -2.182 322 HB3 LYS 54 2HB LYS 54 11.828 -5.967 -0.910 323 HG3 LYS 54 2HG LYS 54 14.115 -4.960 -1.471 324 HD3 LYS 54 2HD LYS 54 11.900 -5.336 -3.460 325 HE3 LYS 54 2HE LYS 54 14.589 -4.074 -4.098 326 HZ1 LYS 54 3HZ LYS 54 13.758 -4.156 -6.364 327 HZ2 LYS 54 1HZ LYS 54 12.514 -5.133 -5.880 328 HZ3 LYS 54 2HZ LYS 54 14.095 -5.663 -5.756 329 H ILE 55 H ILE 55 9.096 -6.038 -1.350 330 HA ILE 55 HA ILE 55 7.951 -5.596 1.384 331 HB ILE 55 HB ILE 55 6.809 -7.422 -0.745 332 HG13 ILE 55 2HG1 ILE 55 5.081 -5.844 -1.223 333 HG21 ILE 55 1HG2 ILE 55 4.776 -7.211 0.774 334 HG22 ILE 55 2HG2 ILE 55 6.147 -8.075 1.460 335 HG23 ILE 55 3HG2 ILE 55 5.819 -6.401 1.953 336 HD11 ILE 55 3HD1 ILE 55 4.986 -4.487 0.850 337 HD12 ILE 55 1HD1 ILE 55 6.558 -3.771 0.443 338 HD13 ILE 55 2HD1 ILE 55 5.145 -3.496 -0.600 339 H GLU 56 H GLU 56 9.463 -6.563 2.703 340 HA GLU 56 HA GLU 56 10.273 -9.359 2.158 341 HB3 GLU 56 2HB GLU 56 12.128 -7.283 3.320 342 HG3 GLU 56 2HG GLU 56 12.641 -9.803 3.062 343 H GLU 57 H GLU 57 8.244 -8.259 3.878 344 HA GLU 57 HA GLU 57 8.633 -9.640 6.230 345 HB3 GLU 57 2HB GLU 57 8.423 -6.935 7.144 346 HG3 GLU 57 2HG GLU 57 10.323 -9.006 8.217 347 H GLY 58 H GLY 58 6.609 -8.685 4.130 348 HA2 GLY 58 1HA GLY 58 4.285 -8.258 4.035 349 HA3 GLY 58 2HA GLY 58 4.202 -8.731 5.734 350 H ARG 59 H ARG 59 6.381 -6.214 4.926 351 HA ARG 59 HA ARG 59 4.612 -3.955 5.601 352 HB3 ARG 59 2HB ARG 59 6.430 -3.110 7.157 353 HG3 ARG 59 2HG ARG 59 5.429 -5.901 7.870 354 HD3 ARG 59 2HD ARG 59 6.223 -3.849 9.930 355 HE ARG 59 HE ARG 59 6.605 -6.686 10.310 356 HH11 ARG 59 1HH1 ARG 59 4.260 -4.141 10.917 357 HH12 ARG 59 2HH1 ARG 59 2.847 -5.159 11.091 358 HH21 ARG 59 1HH2 ARG 59 4.937 -8.119 11.046 359 HH22 ARG 59 2HH2 ARG 59 3.371 -7.529 11.480 360 H ILE 60 H ILE 60 5.975 -1.886 4.964 361 HA ILE 60 HA ILE 60 7.294 -2.537 2.393 362 HB ILE 60 HB ILE 60 7.144 0.258 3.492 363 HG13 ILE 60 2HG1 ILE 60 4.831 -0.633 3.763 364 HG21 ILE 60 1HG2 ILE 60 6.974 0.729 1.009 365 HG22 ILE 60 2HG2 ILE 60 8.398 -0.192 1.440 366 HG23 ILE 60 3HG2 ILE 60 6.995 -1.009 0.716 367 HD11 ILE 60 3HD1 ILE 60 5.059 1.729 3.300 368 HD12 ILE 60 1HD1 ILE 60 5.000 1.417 1.551 369 HD13 ILE 60 2HD1 ILE 60 3.603 1.046 2.573 370 H TYR 61 H TYR 61 9.534 -2.034 2.029 371 HA TYR 61 HA TYR 61 11.195 -1.135 4.322 372 HB3 TYR 61 2HB TYR 61 11.837 -3.108 2.091 373 HD1 TYR 61 2HD TYR 61 13.379 -1.352 5.106 374 HD2 TYR 61 1HD TYR 61 14.042 -3.452 1.374 375 HE1 TYR 61 2HE TYR 61 15.788 -1.150 5.418 376 HE2 TYR 61 1HE TYR 61 16.463 -3.195 1.663 377 HH TYR 61 HH TYR 61 17.892 -1.604 4.563 378 H ILE 62 H ILE 62 12.065 0.843 3.814 379 HA ILE 62 HA ILE 62 12.052 1.802 1.005 380 HB ILE 62 HB ILE 62 11.935 3.375 3.621 381 HG13 ILE 62 2HG1 ILE 62 9.589 3.835 3.233 382 HG21 ILE 62 1HG2 ILE 62 11.575 4.206 0.715 383 HG22 ILE 62 2HG2 ILE 62 11.230 5.250 2.117 384 HG23 ILE 62 3HG2 ILE 62 12.872 4.671 1.831 385 HD11 ILE 62 3HD1 ILE 62 9.650 1.725 1.029 386 HD12 ILE 62 1HD1 ILE 62 8.205 2.474 1.748 387 HD13 ILE 62 2HD1 ILE 62 9.328 3.452 0.820 388 H TYR 63 H TYR 63 14.091 2.415 0.264 389 HA TYR 63 HA TYR 63 16.365 2.668 2.128 390 HB3 TYR 63 2HB TYR 63 15.954 0.189 1.865 391 HD1 TYR 63 1HD TYR 63 14.205 -0.477 0.160 392 HD2 TYR 63 2HD TYR 63 18.202 0.695 -1.008 393 HE1 TYR 63 1HE TYR 63 13.805 -1.327 -2.148 394 HE2 TYR 63 2HE TYR 63 17.790 -0.124 -3.285 395 HH TYR 63 HH TYR 63 16.034 -0.758 -4.798 396 H ASP 64 H ASP 64 14.878 3.677 -0.744 397 HA ASP 64 HA ASP 64 17.292 5.030 -1.506 398 HB3 ASP 64 2HB ASP 64 15.738 3.466 -3.616 399 H VAL 65 H VAL 65 16.584 7.012 -1.364 400 HA VAL 65 HA VAL 65 13.888 7.740 -2.298 401 HB VAL 65 HB VAL 65 15.143 8.714 0.321 402 HG11 VAL 65 1HG1 VAL 65 12.905 9.710 0.745 403 HG12 VAL 65 2HG1 VAL 65 13.675 10.391 -0.677 404 HG13 VAL 65 3HG1 VAL 65 12.385 9.196 -0.879 405 HG21 VAL 65 3HG2 VAL 65 12.858 6.739 0.018 406 HG22 VAL 65 1HG2 VAL 65 14.461 6.409 0.700 407 HG23 VAL 65 2HG2 VAL 65 13.368 7.510 1.532 408 H TYR 66 H TYR 66 13.860 9.813 -3.224 409 HA TYR 66 HA TYR 66 16.287 11.485 -3.190 410 HB3 TYR 66 2HB TYR 66 15.686 9.732 -5.357 411 HD1 TYR 66 1HD TYR 66 13.186 10.328 -6.002 412 HD2 TYR 66 2HD TYR 66 16.572 12.919 -6.696 413 HE1 TYR 66 1HE TYR 66 11.828 11.733 -7.490 414 HE2 TYR 66 2HE TYR 66 15.214 14.327 -8.167 415 HH TYR 66 HH TYR 66 12.997 14.843 -8.677 416 HA PRO 67 HA PRO 67 16.639 13.461 -4.506 417 HB3 PRO 67 2HB PRO 67 15.724 15.406 -5.467 418 HG3 PRO 67 2HG PRO 67 14.055 16.710 -4.254 419 HD3 PRO 67 2HD PRO 67 13.228 14.544 -4.796 420 H ASP 68 H ASP 68 15.062 13.731 -1.464 421 HA ASP 68 HA ASP 68 17.634 14.206 -0.016 422 HB3 ASP 68 2HB ASP 68 15.836 14.196 1.955 423 H GLU 69 H GLU 69 18.485 12.202 -0.201 424 HA GLU 69 HA GLU 69 16.972 9.812 0.292 425 HB3 GLU 69 2HB GLU 69 18.942 9.659 -0.994 426 HG3 GLU 69 2HG GLU 69 20.298 11.093 1.217 427 H LYS 70 H LYS 70 16.723 8.748 2.293 428 HA LYS 70 HA LYS 70 17.810 10.071 4.727 429 HB3 LYS 70 2HB LYS 70 15.764 9.641 5.915 430 HG3 LYS 70 2HG LYS 70 14.839 10.953 3.339 431 HD3 LYS 70 2HD LYS 70 14.472 11.722 6.258 432 HE3 LYS 70 2HE LYS 70 12.781 12.330 3.804 433 HZ1 LYS 70 3HZ LYS 70 13.071 13.761 6.372 434 HZ2 LYS 70 1HZ LYS 70 11.824 12.729 6.032 435 HZ3 LYS 70 2HZ LYS 70 11.968 14.106 5.195 436 H THR 71 H THR 71 17.653 8.527 6.610 437 HA THR 71 HA THR 71 19.002 6.142 6.279 438 HB THR 71 HB THR 71 18.415 7.580 8.321 439 HG1 THR 71 1HG THR 71 18.933 4.912 8.262 440 HG21 THR 71 3HG2 THR 71 15.970 7.343 8.123 441 HG22 THR 71 1HG2 THR 71 16.580 6.822 9.712 442 HG23 THR 71 2HG2 THR 71 16.122 5.611 8.506 443 HA PRO 72 HA PRO 72 15.774 3.546 4.518 444 HB3 PRO 72 2HB PRO 72 17.411 2.014 3.797 445 HG3 PRO 72 2HG PRO 72 19.377 1.691 5.061 446 HD3 PRO 72 2HD PRO 72 19.261 4.043 4.851 447 H TYR 73 H TYR 73 13.888 2.634 5.360 448 HA TYR 73 HA TYR 73 13.842 1.680 8.135 449 HB3 TYR 73 2HB TYR 73 13.437 3.919 8.629 450 HD1 TYR 73 2HD TYR 73 10.301 3.470 6.595 451 HD2 TYR 73 1HD TYR 73 13.837 5.822 7.285 452 HE1 TYR 73 2HE TYR 73 9.420 5.263 5.096 453 HE2 TYR 73 1HE TYR 73 12.957 7.621 5.845 454 HH TYR 73 HH TYR 73 10.925 8.444 4.829 455 H TYR 74 H TYR 74 11.725 0.746 8.683 456 HA TYR 74 HA TYR 74 10.382 -0.384 6.292 457 HB3 TYR 74 2HB TYR 74 9.453 -2.056 7.944 458 HD1 TYR 74 1HD TYR 74 13.111 -1.541 8.636 459 HD2 TYR 74 2HD TYR 74 10.145 -3.699 6.354 460 HE1 TYR 74 1HE TYR 74 14.869 -3.022 7.778 461 HE2 TYR 74 2HE TYR 74 11.896 -5.226 5.523 462 HH TYR 74 HH TYR 74 15.333 -4.851 6.499 463 H LEU 75 H LEU 75 8.041 -0.467 6.422 464 HA LEU 75 HA LEU 75 6.801 1.565 8.230 465 HB3 LEU 75 2HB LEU 75 5.264 2.171 6.360 466 HG LEU 75 HG LEU 75 8.196 2.760 5.750 467 HD11 LEU 75 1HD1 LEU 75 7.240 4.708 4.484 468 HD12 LEU 75 2HD1 LEU 75 5.615 4.031 4.739 469 HD13 LEU 75 3HD1 LEU 75 6.824 3.147 3.787 470 HD21 LEU 75 3HD2 LEU 75 7.721 4.936 6.869 471 HD22 LEU 75 1HD2 LEU 75 7.573 3.591 7.984 472 HD23 LEU 75 2HD2 LEU 75 6.107 4.340 7.319 473 H ASP 76 H ASP 76 5.584 0.459 9.526 474 HA ASP 76 HA ASP 76 4.382 -2.098 9.111 475 HB3 ASP 76 2HB ASP 76 2.878 -1.269 11.004 476 H CYS 77 H CYS 77 2.498 -2.563 7.968 477 HA CYS 77 HA CYS 77 0.422 -0.641 7.758 478 HB3 CYS 77 2HB CYS 77 1.493 0.249 5.849 479 HG CYS 77 HG CYS 77 3.567 -1.272 5.879 480 H LYS 78 H LYS 78 -1.438 -1.615 6.731 481 HA LYS 78 HA LYS 78 -1.279 -4.503 6.192 482 HB3 LYS 78 2HB LYS 78 -3.447 -4.901 6.963 483 HG3 LYS 78 2HG LYS 78 -1.361 -4.651 8.641 484 HD3 LYS 78 2HD LYS 78 -3.536 -2.750 9.515 485 HE3 LYS 78 2HE LYS 78 -1.257 -3.730 11.269 486 HZ1 LYS 78 3HZ LYS 78 -3.926 -3.128 12.280 487 HZ2 LYS 78 1HZ LYS 78 -2.875 -1.858 11.967 488 HZ3 LYS 78 2HZ LYS 78 -2.472 -3.051 13.003 489 H ILE 79 H ILE 79 -3.170 -5.236 4.758 490 HA ILE 79 HA ILE 79 -4.426 -3.201 3.131 491 HB ILE 79 HB ILE 79 -2.054 -3.446 2.244 492 HG13 ILE 79 2HG1 ILE 79 -3.851 -2.613 0.902 493 HG21 ILE 79 1HG2 ILE 79 -1.729 -5.852 2.744 494 HG22 ILE 79 2HG2 ILE 79 -2.914 -6.268 1.496 495 HG23 ILE 79 3HG2 ILE 79 -1.408 -5.469 1.055 496 HD11 ILE 79 3HD1 ILE 79 -2.394 -4.608 -0.867 497 HD12 ILE 79 1HD1 ILE 79 -2.886 -2.968 -1.261 498 HD13 ILE 79 2HD1 ILE 79 -1.526 -3.252 -0.154 499 H SER 80 H SER 80 -6.152 -4.168 1.892 500 HA SER 80 HA SER 80 -6.191 -7.116 1.851 501 HB3 SER 80 2HB SER 80 -8.717 -7.049 2.366 502 HG SER 80 HG SER 80 -6.938 -7.768 3.704 503 H GLY 81 H GLY 81 -6.666 -4.442 -0.065 504 HA2 GLY 81 1HA GLY 81 -6.515 -5.660 -2.388 505 HA3 GLY 81 2HA GLY 81 -8.244 -5.922 -2.072 506 H THR 82 H THR 82 -9.133 -3.641 -0.906 507 HA THR 82 HA THR 82 -8.314 -1.451 -2.728 508 HB THR 82 HB THR 82 -10.847 -0.824 -2.390 509 HG1 THR 82 1HG THR 82 -12.150 -2.396 -2.001 510 HG21 THR 82 3HG2 THR 82 -9.939 -3.079 -4.247 511 HG22 THR 82 1HG2 THR 82 -9.717 -1.348 -4.549 512 HG23 THR 82 2HG2 THR 82 -11.355 -2.022 -4.482 513 H THR 83 H THR 83 -8.903 -2.267 0.681 514 HA THR 83 HA THR 83 -8.479 0.574 1.429 515 HB THR 83 HB THR 83 -8.669 -1.855 3.205 516 HG1 THR 83 1HG THR 83 -10.737 -1.694 3.276 517 HG21 THR 83 3HG2 THR 83 -9.385 -0.222 4.961 518 HG22 THR 83 1HG2 THR 83 -9.240 1.111 3.783 519 HG23 THR 83 2HG2 THR 83 -7.810 0.206 4.320 520 H LEU 84 H LEU 84 -6.335 1.189 1.464 521 HA LEU 84 HA LEU 84 -4.179 -0.600 2.481 522 HB3 LEU 84 2HB LEU 84 -4.389 2.177 1.324 523 HG LEU 84 HG LEU 84 -2.694 2.500 3.007 524 HD11 LEU 84 1HD1 LEU 84 -0.523 0.823 2.338 525 HD12 LEU 84 2HD1 LEU 84 -1.905 -0.277 2.458 526 HD13 LEU 84 3HD1 LEU 84 -1.487 0.767 3.804 527 HD21 LEU 84 3HD2 LEU 84 -1.400 2.031 0.292 528 HD22 LEU 84 1HD2 LEU 84 -0.870 3.153 1.558 529 HD23 LEU 84 2HD2 LEU 84 -2.390 3.435 0.718 530 H LYS 85 H LYS 85 -3.495 -0.429 4.571 531 HA LYS 85 HA LYS 85 -4.246 1.996 6.155 532 HB3 LYS 85 2HB LYS 85 -4.336 -0.905 7.101 533 HG3 LYS 85 2HG LYS 85 -4.622 1.764 8.500 534 HD3 LYS 85 2HD LYS 85 -5.758 0.670 10.371 535 HE3 LYS 85 2HE LYS 85 -7.464 0.247 7.900 536 HZ1 LYS 85 3HZ LYS 85 -8.106 1.540 10.466 537 HZ2 LYS 85 1HZ LYS 85 -8.450 -0.034 10.152 538 HZ3 LYS 85 2HZ LYS 85 -9.146 1.169 9.265 539 H VAL 86 H VAL 86 -2.185 2.951 5.912 540 HA VAL 86 HA VAL 86 0.173 1.379 6.742 541 HB VAL 86 HB VAL 86 0.060 4.319 6.030 542 HG11 VAL 86 1HG1 VAL 86 2.415 2.419 6.214 543 HG12 VAL 86 2HG1 VAL 86 2.462 4.127 5.725 544 HG13 VAL 86 3HG1 VAL 86 1.971 3.699 7.360 545 HG21 VAL 86 3HG2 VAL 86 0.832 1.980 4.226 546 HG22 VAL 86 1HG2 VAL 86 -0.572 3.048 4.020 547 HG23 VAL 86 2HG2 VAL 86 1.045 3.699 3.842 548 H GLU 87 H GLU 87 1.064 1.464 8.781 549 HA GLU 87 HA GLU 87 -0.632 2.734 10.818 550 HB3 GLU 87 2HB GLU 87 0.612 1.376 12.380 551 HG3 GLU 87 2HG GLU 87 0.274 -0.540 10.068 552 H THR 88 H THR 88 2.658 3.227 9.432 553 HA THR 88 HA THR 88 2.926 5.589 11.166 554 HB THR 88 HB THR 88 3.916 3.730 12.409 555 HG1 THR 88 1HG THR 88 4.772 5.755 12.707 556 HG21 THR 88 3HG2 THR 88 4.629 2.330 10.533 557 HG22 THR 88 1HG2 THR 88 5.952 2.627 11.678 558 HG23 THR 88 2HG2 THR 88 5.903 3.512 10.129 559 H GLY 89 H GLY 89 4.976 6.878 10.481 560 HA2 GLY 89 1HA GLY 89 6.294 7.779 8.797 561 HA3 GLY 89 2HA GLY 89 5.626 6.627 7.650 562 H SER 90 H SER 90 5.760 8.922 6.657 563 HA SER 90 HA SER 90 4.004 10.984 7.301 564 HB3 SER 90 2HB SER 90 4.423 11.529 4.851 565 HG SER 90 HG SER 90 6.810 10.804 6.216 566 H GLU 91 H GLU 91 3.265 7.974 5.828 567 HA GLU 91 HA GLU 91 0.705 9.112 4.763 568 HB3 GLU 91 2HB GLU 91 0.654 7.028 3.313 569 HG3 GLU 91 2HG GLU 91 2.423 8.157 1.810 570 H ALA 92 H ALA 92 1.416 8.032 7.583 571 HA ALA 92 HA ALA 92 -0.060 5.678 8.041 572 HB1 ALA 92 1HB ALA 92 1.570 6.612 9.618 573 HB2 ALA 92 2HB ALA 92 0.507 7.986 9.937 574 HB3 ALA 92 3HB ALA 92 -0.001 6.347 10.405 575 H GLY 93 H GLY 93 -2.172 5.498 7.396 576 HA2 GLY 93 1HA GLY 93 -4.266 6.784 8.869 577 HA3 GLY 93 2HA GLY 93 -4.162 7.580 7.308 578 H THR 94 H THR 94 -5.950 6.857 6.225 579 HA THR 94 HA THR 94 -6.214 3.971 5.678 580 HB THR 94 HB THR 94 -7.725 4.344 7.469 581 HG1 THR 94 1HG THR 94 -9.525 4.445 5.321 582 HG21 THR 94 3HG2 THR 94 -8.996 6.655 5.955 583 HG22 THR 94 1HG2 THR 94 -8.019 6.774 7.433 584 HG23 THR 94 2HG2 THR 94 -9.577 5.939 7.472 585 H TYR 95 H TYR 95 -6.297 3.620 3.496 586 HA TYR 95 HA TYR 95 -6.867 5.944 1.751 587 HB3 TYR 95 2HB TYR 95 -4.986 5.475 0.366 588 HD1 TYR 95 1HD TYR 95 -4.475 5.539 4.169 589 HD2 TYR 95 2HD TYR 95 -3.126 6.890 0.361 590 HE1 TYR 95 1HE TYR 95 -3.411 7.451 5.261 591 HE2 TYR 95 2HE TYR 95 -1.820 8.682 1.473 592 HH TYR 95 HH TYR 95 -1.268 9.640 3.601 593 H LYS 96 H LYS 96 -7.463 5.392 -0.409 594 HA LYS 96 HA LYS 96 -8.566 2.631 -0.669 595 HB3 LYS 96 2HB LYS 96 -10.294 3.868 -2.140 596 HG3 LYS 96 2HG LYS 96 -11.493 4.915 -0.163 597 HD3 LYS 96 2HD LYS 96 -10.605 2.025 0.217 598 HE3 LYS 96 2HE LYS 96 -12.423 3.875 1.658 599 HZ1 LYS 96 3HZ LYS 96 -14.015 2.132 2.136 600 HZ2 LYS 96 1HZ LYS 96 -13.445 1.175 0.943 601 HZ3 LYS 96 2HZ LYS 96 -14.159 2.606 0.608 602 H LYS 97 H LYS 97 -7.785 1.483 -2.405 603 HA LYS 97 HA LYS 97 -5.889 2.256 -4.279 604 HB3 LYS 97 2HB LYS 97 -8.225 0.350 -4.783 605 HG3 LYS 97 2HG LYS 97 -5.525 0.737 -6.075 606 HD3 LYS 97 2HD LYS 97 -7.088 -1.506 -7.173 607 HE3 LYS 97 2HE LYS 97 -4.221 -1.292 -6.166 608 HZ1 LYS 97 3HZ LYS 97 -5.199 -3.108 -8.298 609 HZ2 LYS 97 1HZ LYS 97 -4.834 -3.527 -6.729 610 HZ3 LYS 97 2HZ LYS 97 -3.677 -2.958 -7.686 611 H GLN 98 H GLN 98 -5.911 3.328 -6.273 612 HA GLN 98 HA GLN 98 -8.478 4.544 -7.246 613 HB3 GLN 98 2HB GLN 98 -7.170 6.491 -7.974 614 HG3 GLN 98 2HG GLN 98 -6.390 7.400 -5.830 615 HE21 GLN 98 1HE2 GLN 98 -8.507 5.519 -3.975 616 HE22 GLN 98 2HE2 GLN 98 -10.061 6.191 -4.465 617 H LYS 99 H LYS 99 -7.900 2.149 -7.983 618 HA LYS 99 HA LYS 99 -7.379 2.215 -10.833 619 HB3 LYS 99 2HB LYS 99 -6.052 -0.075 -10.353 620 HG3 LYS 99 2HG LYS 99 -3.847 1.073 -10.302 621 HD3 LYS 99 2HD LYS 99 -5.512 2.538 -12.363 622 HE3 LYS 99 2HE LYS 99 -2.863 1.013 -12.308 623 HZ1 LYS 99 3HZ LYS 99 -2.654 1.590 -14.614 624 HZ2 LYS 99 1HZ LYS 99 -4.142 2.259 -14.657 625 HZ3 LYS 99 2HZ LYS 99 -3.959 0.625 -14.437 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -13.573 -7.023 13.222 2 HA2 GLY 1 1HA GLY 1 -11.446 -7.873 15.108 3 HA3 GLY 1 2HA GLY 1 -11.764 -8.644 13.541 4 H GLU 2 H GLU 2 -9.415 -8.067 13.205 5 HA GLU 2 HA GLU 2 -9.535 -5.818 11.391 6 HB3 GLU 2 2HB GLU 2 -8.519 -4.561 13.120 7 HG3 GLU 2 2HG GLU 2 -6.844 -6.983 13.669 8 H ASP 3 H ASP 3 -9.975 -7.890 10.417 9 HA ASP 3 HA ASP 3 -7.846 -9.875 10.248 10 HB3 ASP 3 2HB ASP 3 -9.563 -11.165 8.994 11 H TRP 4 H TRP 4 -6.568 -8.120 9.265 12 HA TRP 4 HA TRP 4 -6.941 -7.394 6.475 13 HB3 TRP 4 2HB TRP 4 -4.579 -6.552 6.771 14 HD1 TRP 4 HD TRP 4 -6.084 -5.679 10.141 15 HE1 TRP 4 1HE TRP 4 -7.493 -3.522 9.993 16 HE3 TRP 4 3HE TRP 4 -5.844 -5.009 5.203 17 HZ2 TRP 4 2HZ TRP 4 -8.264 -1.595 7.834 18 HZ3 TRP 4 3HZ TRP 4 -6.895 -3.023 4.055 19 HH2 TRP 4 HH TRP 4 -8.102 -1.351 5.433 20 H THR 5 H THR 5 -5.566 -8.132 4.625 21 HA THR 5 HA THR 5 -4.574 -10.875 4.926 22 HB THR 5 HB THR 5 -3.820 -10.338 2.466 23 HG1 THR 5 1HG THR 5 -4.546 -8.058 2.651 24 HG21 THR 5 3HG2 THR 5 -5.592 -11.925 3.142 25 HG22 THR 5 1HG2 THR 5 -5.917 -11.111 1.611 26 HG23 THR 5 2HG2 THR 5 -6.784 -10.604 3.079 27 H GLU 6 H GLU 6 -2.430 -11.340 4.051 28 HA GLU 6 HA GLU 6 -0.238 -9.913 5.141 29 HB3 GLU 6 2HB GLU 6 0.980 -11.090 3.141 30 HG3 GLU 6 2HG GLU 6 -0.177 -12.283 5.584 31 H LEU 7 H LEU 7 0.795 -8.193 4.476 32 HA LEU 7 HA LEU 7 0.161 -6.845 1.942 33 HB3 LEU 7 2HB LEU 7 2.478 -6.486 3.887 34 HG LEU 7 HG LEU 7 2.558 -5.313 1.592 35 HD11 LEU 7 1HD1 LEU 7 0.360 -3.692 2.954 36 HD12 LEU 7 2HD1 LEU 7 0.212 -4.605 1.429 37 HD13 LEU 7 3HD1 LEU 7 1.259 -3.182 1.513 38 HD21 LEU 7 3HD2 LEU 7 3.937 -4.630 3.461 39 HD22 LEU 7 1HD2 LEU 7 2.581 -3.753 4.198 40 HD23 LEU 7 2HD2 LEU 7 3.305 -3.181 2.667 41 H ASN 8 H ASN 8 1.098 -7.502 0.113 42 HA ASN 8 HA ASN 8 3.671 -8.917 0.128 43 HB3 ASN 8 2HB ASN 8 2.946 -10.502 -1.525 44 HD21 ASN 8 1HD2 ASN 8 -0.135 -11.012 -0.377 45 HD22 ASN 8 2HD2 ASN 8 0.324 -12.128 0.875 46 H SER 9 H SER 9 4.575 -8.804 -2.122 47 HA SER 9 HA SER 9 4.851 -6.223 -2.754 48 HB3 SER 9 2HB SER 9 5.674 -7.297 -5.057 49 HG SER 9 HG SER 9 7.567 -7.759 -3.789 50 H ASN 10 H ASN 10 2.792 -8.547 -4.392 51 HA ASN 10 HA ASN 10 2.076 -6.843 -6.603 52 HB3 ASN 10 2HB ASN 10 0.668 -9.333 -5.610 53 HD21 ASN 10 1HD2 ASN 10 2.447 -8.934 -8.609 54 HD22 ASN 10 2HD2 ASN 10 1.033 -8.772 -9.667 55 H ASN 11 H ASN 11 0.744 -7.274 -3.367 56 HA ASN 11 HA ASN 11 -2.001 -6.604 -3.999 57 HB3 ASN 11 2HB ASN 11 -2.080 -6.065 -1.487 58 HD21 ASN 11 1HD2 ASN 11 -1.459 -8.357 0.193 59 HD22 ASN 11 2HD2 ASN 11 -2.440 -9.588 -0.439 60 H ILE 12 H ILE 12 0.831 -4.677 -2.993 61 HA ILE 12 HA ILE 12 -0.825 -2.399 -2.261 62 HB ILE 12 HB ILE 12 0.947 -3.029 -0.862 63 HG13 ILE 12 2HG1 ILE 12 1.576 -0.366 -2.186 64 HG21 ILE 12 1HG2 ILE 12 2.867 -2.622 -3.169 65 HG22 ILE 12 2HG2 ILE 12 3.345 -2.905 -1.493 66 HG23 ILE 12 3HG2 ILE 12 2.494 -4.169 -2.361 67 HD11 ILE 12 3HD1 ILE 12 -0.494 -0.488 -0.775 68 HD12 ILE 12 1HD1 ILE 12 0.502 -1.170 0.549 69 HD13 ILE 12 2HD1 ILE 12 0.782 0.487 -0.008 70 H ILE 13 H ILE 13 0.565 -3.446 -5.143 71 HA ILE 13 HA ILE 13 1.483 -1.097 -6.352 72 HB ILE 13 HB ILE 13 0.080 -3.472 -7.608 73 HG13 ILE 13 2HG1 ILE 13 2.392 -4.432 -7.906 74 HG21 ILE 13 1HG2 ILE 13 2.113 -1.555 -8.771 75 HG22 ILE 13 2HG2 ILE 13 1.589 -3.058 -9.541 76 HG23 ILE 13 3HG2 ILE 13 0.412 -1.773 -9.250 77 HD11 ILE 13 3HD1 ILE 13 4.153 -3.884 -6.411 78 HD12 ILE 13 1HD1 ILE 13 3.676 -2.343 -7.172 79 HD13 ILE 13 2HD1 ILE 13 3.165 -2.715 -5.525 80 H GLY 14 H GLY 14 0.525 0.477 -7.611 81 HA2 GLY 14 1HA GLY 14 -1.432 1.212 -8.950 82 HA3 GLY 14 2HA GLY 14 -2.479 0.638 -7.642 83 H TYR 15 H TYR 15 -3.226 2.969 -7.851 84 HA TYR 15 HA TYR 15 -1.495 4.959 -6.462 85 HB3 TYR 15 2HB TYR 15 -3.651 6.320 -7.449 86 HD1 TYR 15 1HD TYR 15 -0.953 4.502 -9.354 87 HD2 TYR 15 2HD TYR 15 -2.740 8.259 -8.316 88 HE1 TYR 15 1HE TYR 15 0.888 5.668 -10.500 89 HE2 TYR 15 2HE TYR 15 -0.843 9.474 -9.372 90 HH TYR 15 HH TYR 15 2.056 7.771 -10.521 91 H TRP 16 H TRP 16 -2.402 6.166 -4.704 92 HA TRP 16 HA TRP 16 -4.857 5.085 -3.347 93 HB3 TRP 16 2HB TRP 16 -3.569 4.827 -1.352 94 HD1 TRP 16 HD TRP 16 -0.798 3.623 -3.652 95 HE1 TRP 16 1HE TRP 16 -0.900 1.053 -3.847 96 HE3 TRP 16 3HE TRP 16 -5.226 2.797 -1.246 97 HZ2 TRP 16 2HZ TRP 16 -2.653 -1.059 -3.089 98 HZ3 TRP 16 3HZ TRP 16 -6.077 0.417 -0.996 99 HH2 TRP 16 HH TRP 16 -4.901 -1.420 -1.968 100 H SER 17 H SER 17 -6.090 6.774 -2.489 101 HA SER 17 HA SER 17 -4.692 9.179 -1.530 102 HB3 SER 17 2HB SER 17 -7.217 9.510 -3.181 103 HG SER 17 HG SER 17 -6.227 11.708 -3.186 104 H THR 18 H THR 18 -6.244 10.498 -0.220 105 HA THR 18 HA THR 18 -8.015 8.730 1.419 106 HB THR 18 HB THR 18 -5.941 9.179 2.499 107 HG1 THR 18 1HG THR 18 -7.248 8.948 3.971 108 HG21 THR 18 3HG2 THR 18 -6.562 12.148 2.381 109 HG22 THR 18 1HG2 THR 18 -5.245 11.319 1.514 110 HG23 THR 18 2HG2 THR 18 -5.228 11.379 3.271 111 H GLY 19 H GLY 19 -7.964 11.592 -0.601 112 HA2 GLY 19 1HA GLY 19 -10.650 12.046 -0.586 113 HA3 GLY 19 2HA GLY 19 -10.023 13.056 0.738 114 H ILE 20 H ILE 20 -10.966 14.636 -0.976 115 HA ILE 20 HA ILE 20 -8.783 15.654 -2.706 116 HB ILE 20 HB ILE 20 -10.557 16.301 -4.355 117 HG13 ILE 20 2HG1 ILE 20 -12.496 16.043 -2.733 118 HG21 ILE 20 1HG2 ILE 20 -10.562 14.138 -5.454 119 HG22 ILE 20 2HG2 ILE 20 -9.015 14.392 -4.656 120 HG23 ILE 20 3HG2 ILE 20 -10.211 13.312 -3.922 121 HD11 ILE 20 3HD1 ILE 20 -12.960 16.219 -5.140 122 HD12 ILE 20 1HD1 ILE 20 -12.817 14.457 -5.312 123 HD13 ILE 20 2HD1 ILE 20 -14.111 15.149 -4.322 124 H GLU 21 H GLU 21 -9.530 16.375 0.045 125 HA GLU 21 HA GLU 21 -10.267 19.212 -0.406 126 HB3 GLU 21 2HB GLU 21 -11.352 18.994 1.951 127 HG3 GLU 21 2HG GLU 21 -12.822 17.730 -0.366 128 H GLY 22 H GLY 22 -9.671 20.467 1.613 129 HA2 GLY 22 1HA GLY 22 -8.257 21.188 3.231 130 HA3 GLY 22 2HA GLY 22 -8.454 19.526 3.807 131 H THR 23 H THR 23 -6.662 18.212 3.842 132 HA THR 23 HA THR 23 -4.222 19.037 2.385 133 HB THR 23 HB THR 23 -4.307 18.492 5.383 134 HG1 THR 23 1HG THR 23 -3.517 20.830 5.185 135 HG21 THR 23 3HG2 THR 23 -1.994 19.392 5.284 136 HG22 THR 23 1HG2 THR 23 -2.165 19.566 3.511 137 HG23 THR 23 2HG2 THR 23 -2.205 17.947 4.288 138 H HIS 24 H HIS 24 -4.248 17.168 1.065 139 HA HIS 24 HA HIS 24 -4.462 14.591 2.488 140 HB3 HIS 24 2HB HIS 24 -6.637 15.116 1.402 141 HD1 HIS 24 1HD HIS 24 -7.007 17.184 -0.196 142 HD2 HIS 24 2HD HIS 24 -4.787 13.995 -1.834 143 HE1 HIS 24 1HE HIS 24 -6.800 17.633 -2.736 144 H LYS 25 H LYS 25 -3.807 12.741 0.958 145 HA LYS 25 HA LYS 25 -1.139 13.495 -0.144 146 HB3 LYS 25 2HB LYS 25 -0.500 11.434 1.377 147 HG3 LYS 25 2HG LYS 25 -0.725 14.328 1.984 148 HD3 LYS 25 2HD LYS 25 -0.384 12.368 4.271 149 HE3 LYS 25 2HE LYS 25 -0.311 15.413 4.038 150 HZ1 LYS 25 3HZ LYS 25 0.235 15.271 6.399 151 HZ2 LYS 25 1HZ LYS 25 -0.279 13.704 6.453 152 HZ3 LYS 25 2HZ LYS 25 -1.340 14.939 6.089 153 H LEU 26 H LEU 26 -0.238 12.066 -1.543 154 HA LEU 26 HA LEU 26 -2.039 10.008 -2.704 155 HB3 LEU 26 2HB LEU 26 -0.069 11.606 -4.320 156 HG LEU 26 HG LEU 26 -1.591 11.476 -6.103 157 HD11 LEU 26 1HD1 LEU 26 -1.858 9.191 -6.538 158 HD12 LEU 26 2HD1 LEU 26 -2.034 8.762 -4.831 159 HD13 LEU 26 3HD1 LEU 26 -0.456 9.276 -5.461 160 HD21 LEU 26 3HD2 LEU 26 -3.636 12.072 -4.918 161 HD22 LEU 26 1HD2 LEU 26 -3.676 10.493 -4.129 162 HD23 LEU 26 2HD2 LEU 26 -3.911 10.623 -5.892 163 H LEU 27 H LEU 27 -1.052 8.013 -2.941 164 HA LEU 27 HA LEU 27 1.915 7.823 -2.932 165 HB3 LEU 27 2HB LEU 27 1.305 5.342 -2.196 166 HG LEU 27 HG LEU 27 1.274 7.541 -0.143 167 HD11 LEU 27 1HD1 LEU 27 0.347 5.544 0.827 168 HD12 LEU 27 2HD1 LEU 27 1.991 5.759 1.441 169 HD13 LEU 27 3HD1 LEU 27 1.675 4.561 0.221 170 HD21 LEU 27 3HD2 LEU 27 3.544 5.853 -1.235 171 HD22 LEU 27 1HD2 LEU 27 3.649 6.866 0.234 172 HD23 LEU 27 2HD2 LEU 27 3.352 7.607 -1.329 173 H SER 28 H SER 28 2.721 6.253 -4.493 174 HA SER 28 HA SER 28 0.786 4.511 -5.597 175 HB3 SER 28 2HB SER 28 0.512 6.232 -7.216 176 HG SER 28 HG SER 28 2.945 6.335 -8.305 177 H PHE 29 H PHE 29 1.817 2.730 -6.705 178 HA PHE 29 HA PHE 29 4.712 2.364 -6.225 179 HB3 PHE 29 2HB PHE 29 4.099 0.136 -5.127 180 HD1 PHE 29 1HD PHE 29 5.810 1.801 -3.947 181 HD2 PHE 29 2HD PHE 29 1.530 1.949 -3.398 182 HE1 PHE 29 1HE PHE 29 6.119 3.045 -1.841 183 HE2 PHE 29 2HE PHE 29 1.849 3.216 -1.309 184 HZ PHE 29 HZ PHE 29 4.152 3.730 -0.481 185 H ASP 30 H ASP 30 5.620 1.056 -7.785 186 HA ASP 30 HA ASP 30 3.821 -0.082 -9.896 187 HB3 ASP 30 2HB ASP 30 6.453 -0.269 -10.837 188 H GLU 31 H GLU 31 4.399 -2.152 -10.692 189 HA GLU 31 HA GLU 31 5.193 -3.927 -8.536 190 HB3 GLU 31 2HB GLU 31 4.675 -4.789 -11.393 191 HG3 GLU 31 2HG GLU 31 3.132 -6.046 -9.229 192 H ASP 32 H ASP 32 6.776 -2.455 -11.230 193 HA ASP 32 HA ASP 32 9.110 -4.302 -10.909 194 HB3 ASP 32 2HB ASP 32 8.558 -3.098 -13.562 195 H GLY 33 H GLY 33 8.169 -1.253 -10.281 196 HA2 GLY 33 1HA GLY 33 10.592 0.126 -11.367 197 HA3 GLY 33 2HA GLY 33 8.999 0.858 -11.224 198 H THR 34 H THR 34 9.046 2.382 -9.630 199 HA THR 34 HA THR 34 9.988 1.771 -6.951 200 HB THR 34 HB THR 34 10.992 4.102 -6.871 201 HG1 THR 34 1HG THR 34 11.121 3.846 -9.701 202 HG21 THR 34 3HG2 THR 34 13.158 3.495 -7.685 203 HG22 THR 34 1HG2 THR 34 12.488 2.270 -8.776 204 HG23 THR 34 2HG2 THR 34 12.415 2.029 -7.022 205 H GLY 35 H GLY 35 9.096 3.816 -5.545 206 HA2 GLY 35 1HA GLY 35 6.257 4.084 -6.383 207 HA3 GLY 35 2HA GLY 35 6.880 4.118 -4.737 208 H SER 36 H SER 36 5.230 6.016 -5.285 209 HA SER 36 HA SER 36 6.900 8.493 -5.381 210 HB3 SER 36 2HB SER 36 4.129 8.594 -6.455 211 HG SER 36 HG SER 36 4.835 10.181 -7.624 212 H PHE 37 H PHE 37 5.948 10.197 -4.108 213 HA PHE 37 HA PHE 37 3.589 9.690 -2.478 214 HB3 PHE 37 2HB PHE 37 6.301 10.090 -1.178 215 HD1 PHE 37 2HD PHE 37 2.591 9.812 -0.381 216 HD2 PHE 37 1HD PHE 37 6.474 11.214 0.856 217 HE1 PHE 37 2HE PHE 37 1.584 10.965 1.542 218 HE2 PHE 37 1HE PHE 37 5.450 12.375 2.773 219 HZ PHE 37 HZ PHE 37 2.985 12.266 3.132 220 H GLY 38 H GLY 38 2.492 11.489 -3.013 221 HA2 GLY 38 1HA GLY 38 3.951 14.105 -3.104 222 HA3 GLY 38 2HA GLY 38 2.598 13.714 -4.155 223 H ILE 39 H ILE 39 2.892 15.856 -2.240 224 HA ILE 39 HA ILE 39 0.704 15.272 -0.270 225 HB ILE 39 HB ILE 39 3.030 17.217 -0.054 226 HG13 ILE 39 2HG1 ILE 39 3.789 14.860 0.221 227 HG21 ILE 39 1HG2 ILE 39 0.961 16.532 2.043 228 HG22 ILE 39 2HG2 ILE 39 2.293 17.711 2.186 229 HG23 ILE 39 3HG2 ILE 39 0.998 18.015 1.050 230 HD11 ILE 39 3HD1 ILE 39 4.784 16.511 1.824 231 HD12 ILE 39 1HD1 ILE 39 3.564 15.999 3.028 232 HD13 ILE 39 2HD1 ILE 39 4.739 14.838 2.407 233 H TYR 40 H TYR 40 -1.114 16.590 -0.494 234 HA TYR 40 HA TYR 40 -1.017 18.708 -2.566 235 HB3 TYR 40 2HB TYR 40 -3.289 17.838 -3.243 236 HD1 TYR 40 2HD TYR 40 -0.935 14.931 -2.788 237 HD2 TYR 40 1HD TYR 40 -2.636 17.806 -5.525 238 HE1 TYR 40 2HE TYR 40 0.178 13.798 -4.686 239 HE2 TYR 40 1HE TYR 40 -1.635 16.588 -7.428 240 HH TYR 40 HH TYR 40 0.760 14.018 -6.963 241 H SER 41 H SER 41 -2.090 20.532 -1.995 242 HA SER 41 HA SER 41 -3.659 20.574 0.560 243 HB3 SER 41 2HB SER 41 -3.197 23.204 -0.189 244 HG SER 41 HG SER 41 -2.823 22.809 1.834 245 H ASN 42 H ASN 42 -5.703 20.529 0.093 246 HA ASN 42 HA ASN 42 -7.651 20.418 -0.903 247 HB3 ASN 42 2HB ASN 42 -8.002 22.922 -2.103 248 HD21 ASN 42 1HD2 ASN 42 -9.902 21.557 -1.355 249 HD22 ASN 42 2HD2 ASN 42 -10.583 22.189 0.118 250 H ALA 43 H ALA 43 -5.840 22.127 -3.517 251 HA ALA 43 HA ALA 43 -6.292 19.900 -5.280 252 HB1 ALA 43 1HB ALA 43 -8.479 21.135 -5.472 253 HB2 ALA 43 2HB ALA 43 -7.587 22.575 -6.004 254 HB3 ALA 43 3HB ALA 43 -7.579 21.085 -6.984 255 H THR 44 H THR 44 -3.987 21.263 -4.143 256 HA THR 44 HA THR 44 -2.614 21.959 -6.666 257 HB THR 44 HB THR 44 -2.268 23.379 -3.986 258 HG1 THR 44 1HG THR 44 -4.180 23.944 -4.882 259 HG21 THR 44 3HG2 THR 44 -0.935 25.002 -5.318 260 HG22 THR 44 1HG2 THR 44 -1.151 24.007 -6.769 261 HG23 THR 44 2HG2 THR 44 -0.206 23.394 -5.405 262 HA PRO 45 HA PRO 45 0.179 18.927 -4.719 263 HB3 PRO 45 2HB PRO 45 0.606 18.164 -6.889 264 HG3 PRO 45 2HG PRO 45 0.687 19.633 -8.733 265 HD3 PRO 45 2HD PRO 45 -1.383 20.150 -7.772 266 H ILE 46 H ILE 46 1.666 19.359 -3.092 267 HA ILE 46 HA ILE 46 3.327 21.825 -3.291 268 HB ILE 46 HB ILE 46 2.283 20.830 -0.652 269 HG13 ILE 46 2HG1 ILE 46 0.411 22.219 -0.579 270 HG21 ILE 46 1HG2 ILE 46 2.461 23.380 -0.172 271 HG22 ILE 46 2HG2 ILE 46 3.973 22.511 -0.412 272 HG23 ILE 46 3HG2 ILE 46 3.304 23.497 -1.720 273 HD11 ILE 46 3HD1 ILE 46 1.024 23.173 -3.400 274 HD12 ILE 46 1HD1 ILE 46 -0.542 23.363 -2.594 275 HD13 ILE 46 2HD1 ILE 46 0.892 24.153 -1.932 276 H SER 47 H SER 47 3.554 18.409 -3.045 277 HA SER 47 HA SER 47 6.363 18.777 -2.685 278 HB3 SER 47 2HB SER 47 4.975 17.037 -0.621 279 HG SER 47 HG SER 47 6.771 16.001 -0.813 280 H PHE 48 H PHE 48 7.481 16.946 -3.129 281 HA PHE 48 HA PHE 48 6.212 14.645 -4.460 282 HB3 PHE 48 2HB PHE 48 8.301 16.240 -6.006 283 HD1 PHE 48 1HD PHE 48 4.910 14.824 -6.623 284 HD2 PHE 48 2HD PHE 48 9.088 14.619 -7.616 285 HE1 PHE 48 1HE PHE 48 4.385 13.257 -8.500 286 HE2 PHE 48 2HE PHE 48 8.581 13.015 -9.434 287 HZ PHE 48 HZ PHE 48 6.218 12.347 -9.882 288 H GLN 49 H GLN 49 7.494 12.862 -4.076 289 HA GLN 49 HA GLN 49 10.401 13.149 -4.065 290 HB3 GLN 49 2HB GLN 49 9.968 13.244 -1.652 291 HG3 GLN 49 2HG GLN 49 8.588 10.543 -2.044 292 HE21 GLN 49 1HE2 GLN 49 9.925 9.321 -0.559 293 HE22 GLN 49 2HE2 GLN 49 10.018 9.776 1.126 294 H MET 50 H MET 50 11.430 10.977 -4.489 295 HA MET 50 HA MET 50 9.556 8.916 -5.420 296 HB3 MET 50 2HB MET 50 10.969 8.539 -7.341 297 HG3 MET 50 2HG MET 50 10.283 11.504 -7.333 298 HE1 MET 50 3HE MET 50 12.570 11.198 -9.165 299 HE2 MET 50 1HE MET 50 12.434 9.428 -9.279 300 HE3 MET 50 2HE MET 50 12.348 10.416 -10.745 301 H PHE 51 H PHE 51 10.392 6.847 -4.888 302 HA PHE 51 HA PHE 51 12.962 6.543 -3.671 303 HB3 PHE 51 2HB PHE 51 11.838 7.615 -1.804 304 HD1 PHE 51 1HD PHE 51 9.510 8.360 -2.695 305 HD2 PHE 51 2HD PHE 51 10.258 4.674 -0.637 306 HE1 PHE 51 1HE PHE 51 7.128 8.169 -2.179 307 HE2 PHE 51 2HE PHE 51 7.851 4.536 -0.019 308 HZ PHE 51 HZ PHE 51 6.264 6.282 -0.800 309 H ASP 52 H ASP 52 13.322 4.371 -3.180 310 HA ASP 52 HA ASP 52 11.821 2.538 -4.889 311 HB3 ASP 52 2HB ASP 52 14.327 2.630 -4.842 312 H TYR 53 H TYR 53 11.925 0.192 -3.740 313 HA TYR 53 HA TYR 53 10.603 -0.009 -1.241 314 HB3 TYR 53 2HB TYR 53 9.075 0.762 -3.649 315 HD1 TYR 53 1HD TYR 53 8.280 -1.504 -0.682 316 HD2 TYR 53 2HD TYR 53 7.357 -0.244 -4.685 317 HE1 TYR 53 1HE TYR 53 6.666 -3.333 -0.897 318 HE2 TYR 53 2HE TYR 53 5.766 -2.095 -4.950 319 HH TYR 53 HH TYR 53 4.781 -3.947 -3.897 320 H LYS 54 H LYS 54 10.512 -2.039 -0.578 321 HA LYS 54 HA LYS 54 10.111 -4.127 -2.591 322 HB3 LYS 54 2HB LYS 54 11.579 -5.718 -1.441 323 HG3 LYS 54 2HG LYS 54 13.224 -3.282 -2.004 324 HD3 LYS 54 2HD LYS 54 14.014 -5.588 -3.547 325 HE3 LYS 54 2HE LYS 54 15.115 -3.549 -1.833 326 HZ1 LYS 54 3HZ LYS 54 16.242 -6.223 -1.406 327 HZ2 LYS 54 1HZ LYS 54 15.445 -5.358 -0.268 328 HZ3 LYS 54 2HZ LYS 54 16.880 -4.797 -0.872 329 H ILE 55 H ILE 55 8.879 -5.972 -1.603 330 HA ILE 55 HA ILE 55 8.258 -5.650 1.288 331 HB ILE 55 HB ILE 55 7.149 -7.609 -0.749 332 HG13 ILE 55 2HG1 ILE 55 5.031 -6.504 -0.469 333 HG21 ILE 55 1HG2 ILE 55 6.555 -7.274 2.211 334 HG22 ILE 55 2HG2 ILE 55 5.575 -8.248 1.089 335 HG23 ILE 55 3HG2 ILE 55 7.261 -8.677 1.370 336 HD11 ILE 55 3HD1 ILE 55 5.181 -5.449 1.749 337 HD12 ILE 55 1HD1 ILE 55 6.381 -4.306 1.112 338 HD13 ILE 55 2HD1 ILE 55 4.719 -4.283 0.492 339 H GLU 56 H GLU 56 9.867 -6.432 2.462 340 HA GLU 56 HA GLU 56 10.660 -9.242 1.924 341 HB3 GLU 56 2HB GLU 56 12.673 -7.231 2.950 342 HG3 GLU 56 2HG GLU 56 13.001 -9.954 1.597 343 H GLU 57 H GLU 57 8.665 -8.037 3.604 344 HA GLU 57 HA GLU 57 9.168 -9.148 6.077 345 HB3 GLU 57 2HB GLU 57 9.046 -6.431 6.943 346 HG3 GLU 57 2HG GLU 57 11.086 -7.031 8.199 347 H GLY 58 H GLY 58 6.926 -8.572 4.081 348 HA2 GLY 58 1HA GLY 58 4.569 -8.224 4.203 349 HA3 GLY 58 2HA GLY 58 4.743 -8.528 5.922 350 H ARG 59 H ARG 59 6.604 -5.952 4.595 351 HA ARG 59 HA ARG 59 4.891 -3.749 5.466 352 HB3 ARG 59 2HB ARG 59 6.835 -2.922 6.899 353 HG3 ARG 59 2HG ARG 59 5.788 -5.625 7.844 354 HD3 ARG 59 2HD ARG 59 6.849 -3.245 9.402 355 HE ARG 59 HE ARG 59 5.634 -4.166 11.072 356 HH11 ARG 59 1HH1 ARG 59 7.289 -7.027 9.596 357 HH12 ARG 59 2HH1 ARG 59 6.174 -8.117 10.272 358 HH21 ARG 59 1HH2 ARG 59 4.449 -5.747 12.221 359 HH22 ARG 59 2HH2 ARG 59 4.654 -7.427 11.847 360 H ILE 60 H ILE 60 6.029 -1.750 4.735 361 HA ILE 60 HA ILE 60 7.192 -2.301 2.020 362 HB ILE 60 HB ILE 60 6.330 0.362 3.183 363 HG13 ILE 60 2HG1 ILE 60 4.442 -1.265 2.846 364 HG21 ILE 60 1HG2 ILE 60 6.642 -0.169 0.247 365 HG22 ILE 60 2HG2 ILE 60 6.738 1.352 1.121 366 HG23 ILE 60 3HG2 ILE 60 8.081 0.202 1.189 367 HD11 ILE 60 3HD1 ILE 60 4.053 1.169 2.615 368 HD12 ILE 60 1HD1 ILE 60 4.384 1.036 0.870 369 HD13 ILE 60 2HD1 ILE 60 2.993 0.194 1.572 370 H TYR 61 H TYR 61 9.318 -2.421 1.904 371 HA TYR 61 HA TYR 61 11.057 -1.251 3.999 372 HB3 TYR 61 2HB TYR 61 11.628 -3.120 1.663 373 HD1 TYR 61 2HD TYR 61 12.986 -2.266 5.076 374 HD2 TYR 61 1HD TYR 61 13.803 -2.684 0.860 375 HE1 TYR 61 2HE TYR 61 15.374 -1.986 5.535 376 HE2 TYR 61 1HE TYR 61 16.237 -2.474 1.320 377 HH TYR 61 HH TYR 61 17.458 -1.870 4.648 378 H ILE 62 H ILE 62 11.830 0.789 3.613 379 HA ILE 62 HA ILE 62 12.108 1.766 0.797 380 HB ILE 62 HB ILE 62 12.519 3.374 3.353 381 HG13 ILE 62 2HG1 ILE 62 10.221 4.315 3.054 382 HG21 ILE 62 1HG2 ILE 62 11.899 5.273 1.758 383 HG22 ILE 62 2HG2 ILE 62 13.418 4.463 1.432 384 HG23 ILE 62 3HG2 ILE 62 12.017 4.071 0.439 385 HD11 ILE 62 3HD1 ILE 62 8.490 3.085 1.978 386 HD12 ILE 62 1HD1 ILE 62 9.795 3.147 0.762 387 HD13 ILE 62 2HD1 ILE 62 9.538 1.688 1.712 388 H TYR 63 H TYR 63 14.246 2.399 0.086 389 HA TYR 63 HA TYR 63 16.406 2.416 2.021 390 HB3 TYR 63 2HB TYR 63 16.196 0.026 1.735 391 HD1 TYR 63 2HD TYR 63 14.329 -0.325 -0.212 392 HD2 TYR 63 1HD TYR 63 18.576 -0.096 -0.865 393 HE1 TYR 63 2HE TYR 63 14.032 -1.412 -2.402 394 HE2 TYR 63 1HE TYR 63 18.321 -1.283 -3.000 395 HH TYR 63 HH TYR 63 15.333 -1.745 -4.562 396 H ASP 64 H ASP 64 15.185 3.768 -0.844 397 HA ASP 64 HA ASP 64 17.607 5.247 -1.221 398 HB3 ASP 64 2HB ASP 64 16.166 3.804 -3.519 399 H VAL 65 H VAL 65 16.781 7.231 -1.155 400 HA VAL 65 HA VAL 65 14.268 7.880 -2.517 401 HB VAL 65 HB VAL 65 13.907 7.493 -0.020 402 HG11 VAL 65 1HG1 VAL 65 15.765 8.020 0.796 403 HG12 VAL 65 2HG1 VAL 65 15.173 9.774 0.851 404 HG13 VAL 65 3HG1 VAL 65 14.282 8.469 1.642 405 HG21 VAL 65 3HG2 VAL 65 12.370 9.354 0.220 406 HG22 VAL 65 1HG2 VAL 65 13.543 10.483 -0.468 407 HG23 VAL 65 2HG2 VAL 65 12.637 9.471 -1.531 408 H TYR 66 H TYR 66 14.044 10.113 -3.061 409 HA TYR 66 HA TYR 66 16.417 11.859 -3.047 410 HB3 TYR 66 2HB TYR 66 15.604 10.131 -5.269 411 HD1 TYR 66 2HD TYR 66 13.300 11.391 -5.750 412 HD2 TYR 66 1HD TYR 66 17.227 12.879 -6.733 413 HE1 TYR 66 2HE TYR 66 12.290 12.938 -7.396 414 HE2 TYR 66 1HE TYR 66 16.245 14.386 -8.401 415 HH TYR 66 HH TYR 66 12.879 15.048 -8.611 416 HA PRO 67 HA PRO 67 16.608 13.842 -4.515 417 HB3 PRO 67 2HB PRO 67 15.562 15.795 -5.290 418 HG3 PRO 67 2HG PRO 67 14.055 17.051 -3.833 419 HD3 PRO 67 2HD PRO 67 13.161 14.899 -4.318 420 H ASP 68 H ASP 68 15.441 13.947 -1.315 421 HA ASP 68 HA ASP 68 18.173 14.207 -0.153 422 HB3 ASP 68 2HB ASP 68 16.609 14.306 1.995 423 H GLU 69 H GLU 69 18.868 12.156 0.414 424 HA GLU 69 HA GLU 69 17.091 9.877 0.228 425 HB3 GLU 69 2HB GLU 69 19.248 9.510 -0.583 426 HG3 GLU 69 2HG GLU 69 20.135 10.932 1.871 427 H LYS 70 H LYS 70 16.291 8.680 2.047 428 HA LYS 70 HA LYS 70 17.309 9.576 4.734 429 HB3 LYS 70 2HB LYS 70 15.187 9.370 5.687 430 HG3 LYS 70 2HG LYS 70 14.344 10.474 2.991 431 HD3 LYS 70 2HD LYS 70 12.747 10.432 5.028 432 HE3 LYS 70 2HE LYS 70 14.822 12.540 5.795 433 HZ1 LYS 70 3HZ LYS 70 12.194 12.067 7.040 434 HZ2 LYS 70 1HZ LYS 70 12.576 13.382 6.158 435 HZ3 LYS 70 2HZ LYS 70 13.368 13.105 7.587 436 H THR 71 H THR 71 17.298 7.938 6.375 437 HA THR 71 HA THR 71 18.620 5.645 5.708 438 HB THR 71 HB THR 71 18.542 6.834 7.864 439 HG1 THR 71 1HG THR 71 18.078 4.259 8.700 440 HG21 THR 71 3HG2 THR 71 16.068 6.903 8.067 441 HG22 THR 71 1HG2 THR 71 16.890 6.293 9.524 442 HG23 THR 71 2HG2 THR 71 16.077 5.162 8.401 443 HA PRO 72 HA PRO 72 15.525 2.721 4.418 444 HB3 PRO 72 2HB PRO 72 17.213 1.278 3.691 445 HG3 PRO 72 2HG PRO 72 19.270 1.117 4.874 446 HD3 PRO 72 2HD PRO 72 18.865 3.417 4.405 447 H TYR 73 H TYR 73 13.703 1.706 5.361 448 HA TYR 73 HA TYR 73 13.770 0.523 7.982 449 HB3 TYR 73 2HB TYR 73 13.634 2.803 8.777 450 HD1 TYR 73 1HD TYR 73 10.130 2.555 7.426 451 HD2 TYR 73 2HD TYR 73 13.835 4.764 7.445 452 HE1 TYR 73 1HE TYR 73 9.089 4.373 6.088 453 HE2 TYR 73 2HE TYR 73 12.799 6.547 6.104 454 HH TYR 73 HH TYR 73 10.884 6.962 4.691 455 H TYR 74 H TYR 74 11.397 -0.019 8.625 456 HA TYR 74 HA TYR 74 9.928 -0.957 6.218 457 HB3 TYR 74 2HB TYR 74 9.062 -2.730 7.671 458 HD1 TYR 74 2HD TYR 74 10.230 -3.795 5.709 459 HD2 TYR 74 1HD TYR 74 12.344 -2.523 9.251 460 HE1 TYR 74 2HE TYR 74 12.162 -5.208 5.056 461 HE2 TYR 74 1HE TYR 74 14.271 -3.899 8.612 462 HH TYR 74 HH TYR 74 14.937 -5.693 7.266 463 H LEU 75 H LEU 75 7.983 -0.042 5.914 464 HA LEU 75 HA LEU 75 6.579 1.404 8.086 465 HB3 LEU 75 2HB LEU 75 4.921 1.914 6.239 466 HG LEU 75 HG LEU 75 7.830 2.660 5.727 467 HD11 LEU 75 1HD1 LEU 75 6.975 4.476 4.329 468 HD12 LEU 75 2HD1 LEU 75 5.304 3.896 4.582 469 HD13 LEU 75 3HD1 LEU 75 6.480 2.910 3.687 470 HD21 LEU 75 3HD2 LEU 75 7.037 4.860 6.772 471 HD22 LEU 75 1HD2 LEU 75 7.093 3.505 7.892 472 HD23 LEU 75 2HD2 LEU 75 5.537 4.029 7.206 473 H ASP 76 H ASP 76 5.434 0.205 9.415 474 HA ASP 76 HA ASP 76 4.208 -2.318 8.883 475 HB3 ASP 76 2HB ASP 76 2.870 -1.721 10.945 476 H CYS 77 H CYS 77 2.556 -2.603 7.450 477 HA CYS 77 HA CYS 77 0.279 -0.873 7.636 478 HB3 CYS 77 2HB CYS 77 1.345 0.481 6.053 479 HG CYS 77 HG CYS 77 3.440 -1.010 5.648 480 H LYS 78 H LYS 78 -1.482 -1.669 6.537 481 HA LYS 78 HA LYS 78 -1.431 -4.589 5.920 482 HB3 LYS 78 2HB LYS 78 -3.639 -4.582 7.166 483 HG3 LYS 78 2HG LYS 78 -0.961 -4.540 8.265 484 HD3 LYS 78 2HD LYS 78 -2.008 -2.709 9.746 485 HE3 LYS 78 2HE LYS 78 -3.441 -5.211 10.725 486 HZ1 LYS 78 3HZ LYS 78 -2.784 -2.778 12.294 487 HZ2 LYS 78 1HZ LYS 78 -2.295 -4.280 12.614 488 HZ3 LYS 78 2HZ LYS 78 -3.884 -3.936 12.761 489 H ILE 79 H ILE 79 -3.211 -5.303 4.473 490 HA ILE 79 HA ILE 79 -4.599 -3.162 3.029 491 HB ILE 79 HB ILE 79 -2.240 -3.497 2.094 492 HG13 ILE 79 2HG1 ILE 79 -4.257 -2.479 0.918 493 HG21 ILE 79 1HG2 ILE 79 -1.736 -5.451 0.742 494 HG22 ILE 79 2HG2 ILE 79 -2.210 -6.015 2.341 495 HG23 ILE 79 3HG2 ILE 79 -3.348 -6.122 0.987 496 HD11 ILE 79 3HD1 ILE 79 -2.025 -3.809 -0.683 497 HD12 ILE 79 1HD1 ILE 79 -3.157 -2.651 -1.352 498 HD13 ILE 79 2HD1 ILE 79 -2.072 -2.158 -0.030 499 H SER 80 H SER 80 -6.372 -3.988 1.769 500 HA SER 80 HA SER 80 -6.965 -6.864 1.766 501 HB3 SER 80 2HB SER 80 -8.887 -5.018 3.098 502 HG SER 80 HG SER 80 -9.227 -7.197 4.190 503 H GLY 81 H GLY 81 -6.540 -5.214 -0.295 504 HA2 GLY 81 1HA GLY 81 -7.518 -5.047 -2.453 505 HA3 GLY 81 2HA GLY 81 -9.144 -5.056 -1.732 506 H THR 82 H THR 82 -10.059 -3.008 -1.960 507 HA THR 82 HA THR 82 -8.247 -0.920 -2.705 508 HB THR 82 HB THR 82 -10.035 0.595 -3.011 509 HG1 THR 82 1HG THR 82 -11.840 -1.299 -1.895 510 HG21 THR 82 3HG2 THR 82 -11.191 -0.587 -4.761 511 HG22 THR 82 1HG2 THR 82 -10.786 -2.147 -4.036 512 HG23 THR 82 2HG2 THR 82 -9.506 -1.094 -4.674 513 H THR 83 H THR 83 -9.021 -1.763 0.543 514 HA THR 83 HA THR 83 -8.395 1.013 1.392 515 HB THR 83 HB THR 83 -9.045 -1.374 3.117 516 HG1 THR 83 1HG THR 83 -10.946 -1.098 2.356 517 HG21 THR 83 3HG2 THR 83 -7.910 0.570 4.257 518 HG22 THR 83 1HG2 THR 83 -9.555 0.318 4.828 519 HG23 THR 83 2HG2 THR 83 -9.203 1.640 3.678 520 H LEU 84 H LEU 84 -6.352 1.500 1.551 521 HA LEU 84 HA LEU 84 -4.282 -0.424 2.467 522 HB3 LEU 84 2HB LEU 84 -4.244 2.401 1.339 523 HG LEU 84 HG LEU 84 -2.457 2.397 2.919 524 HD11 LEU 84 1HD1 LEU 84 -0.557 0.716 2.711 525 HD12 LEU 84 2HD1 LEU 84 -1.634 -0.277 1.709 526 HD13 LEU 84 3HD1 LEU 84 -2.031 0.058 3.407 527 HD21 LEU 84 3HD2 LEU 84 -2.062 3.330 0.642 528 HD22 LEU 84 1HD2 LEU 84 -1.361 1.791 0.133 529 HD23 LEU 84 2HD2 LEU 84 -0.565 2.765 1.390 530 H LYS 85 H LYS 85 -3.750 -0.384 4.621 531 HA LYS 85 HA LYS 85 -4.521 1.971 6.284 532 HB3 LYS 85 2HB LYS 85 -4.360 -0.974 7.122 533 HG3 LYS 85 2HG LYS 85 -4.734 1.622 8.567 534 HD3 LYS 85 2HD LYS 85 -6.245 -0.824 9.566 535 HE3 LYS 85 2HE LYS 85 -7.544 1.042 10.753 536 HZ1 LYS 85 3HZ LYS 85 -4.719 0.865 11.619 537 HZ2 LYS 85 1HZ LYS 85 -5.932 -0.203 12.027 538 HZ3 LYS 85 2HZ LYS 85 -5.975 1.353 12.502 539 H VAL 86 H VAL 86 -2.581 3.088 6.374 540 HA VAL 86 HA VAL 86 -0.125 1.476 6.889 541 HB VAL 86 HB VAL 86 -0.330 4.376 6.075 542 HG11 VAL 86 1HG1 VAL 86 1.624 3.889 7.483 543 HG12 VAL 86 2HG1 VAL 86 2.127 2.579 6.408 544 HG13 VAL 86 3HG1 VAL 86 2.129 4.261 5.834 545 HG21 VAL 86 3HG2 VAL 86 0.798 3.590 3.964 546 HG22 VAL 86 1HG2 VAL 86 0.525 1.925 4.476 547 HG23 VAL 86 2HG2 VAL 86 -0.854 3.000 4.166 548 H GLU 87 H GLU 87 0.762 1.436 8.853 549 HA GLU 87 HA GLU 87 -0.822 2.677 10.978 550 HB3 GLU 87 2HB GLU 87 0.213 1.116 12.422 551 HG3 GLU 87 2HG GLU 87 -0.063 -0.531 9.890 552 H THR 88 H THR 88 2.411 3.070 9.580 553 HA THR 88 HA THR 88 3.076 5.204 11.525 554 HB THR 88 HB THR 88 3.975 3.161 12.368 555 HG1 THR 88 1HG THR 88 5.426 5.140 12.277 556 HG21 THR 88 3HG2 THR 88 5.449 2.830 9.742 557 HG22 THR 88 1HG2 THR 88 4.072 1.849 10.278 558 HG23 THR 88 2HG2 THR 88 5.602 1.782 11.173 559 H GLY 89 H GLY 89 5.242 6.370 10.646 560 HA2 GLY 89 1HA GLY 89 6.444 7.223 8.861 561 HA3 GLY 89 2HA GLY 89 5.424 6.327 7.746 562 H SER 90 H SER 90 5.783 8.503 6.818 563 HA SER 90 HA SER 90 4.107 10.736 7.645 564 HB3 SER 90 2HB SER 90 4.795 10.525 4.756 565 HG SER 90 HG SER 90 5.150 12.377 6.897 566 H GLU 91 H GLU 91 3.650 7.825 5.732 567 HA GLU 91 HA GLU 91 1.156 8.867 4.564 568 HB3 GLU 91 2HB GLU 91 1.142 6.873 3.251 569 HG3 GLU 91 2HG GLU 91 2.839 9.053 3.095 570 H ALA 92 H ALA 92 1.708 7.801 7.476 571 HA ALA 92 HA ALA 92 0.051 5.671 8.121 572 HB1 ALA 92 1HB ALA 92 0.722 8.093 9.844 573 HB2 ALA 92 2HB ALA 92 0.195 6.492 10.402 574 HB3 ALA 92 3HB ALA 92 1.755 6.681 9.606 575 H GLY 93 H GLY 93 -2.057 5.555 7.475 576 HA2 GLY 93 1HA GLY 93 -4.119 7.004 8.708 577 HA3 GLY 93 2HA GLY 93 -3.784 7.831 7.184 578 H THR 94 H THR 94 -5.907 7.300 6.546 579 HA THR 94 HA THR 94 -6.470 4.473 5.836 580 HB THR 94 HB THR 94 -8.896 5.321 6.002 581 HG1 THR 94 1HG THR 94 -8.772 7.481 6.111 582 HG21 THR 94 3HG2 THR 94 -7.825 3.934 7.782 583 HG22 THR 94 1HG2 THR 94 -8.985 5.093 8.443 584 HG23 THR 94 2HG2 THR 94 -7.247 5.423 8.571 585 H TYR 95 H TYR 95 -6.408 4.127 3.633 586 HA TYR 95 HA TYR 95 -6.991 6.430 1.852 587 HB3 TYR 95 2HB TYR 95 -5.056 5.669 0.449 588 HD1 TYR 95 2HD TYR 95 -3.877 5.536 4.023 589 HD2 TYR 95 1HD TYR 95 -4.392 7.960 0.524 590 HE1 TYR 95 2HE TYR 95 -2.776 7.447 5.174 591 HE2 TYR 95 1HE TYR 95 -3.249 9.853 1.658 592 HH TYR 95 HH TYR 95 -2.568 9.927 5.071 593 H LYS 96 H LYS 96 -7.736 5.844 -0.174 594 HA LYS 96 HA LYS 96 -8.580 3.038 -0.455 595 HB3 LYS 96 2HB LYS 96 -10.451 3.890 -1.937 596 HG3 LYS 96 2HG LYS 96 -11.825 4.847 0.047 597 HD3 LYS 96 2HD LYS 96 -11.569 2.602 1.410 598 HE3 LYS 96 2HE LYS 96 -12.732 1.260 -0.361 599 HZ1 LYS 96 3HZ LYS 96 -14.643 2.669 -0.486 600 HZ2 LYS 96 1HZ LYS 96 -13.773 4.010 -0.159 601 HZ3 LYS 96 2HZ LYS 96 -13.966 2.846 1.012 602 H LYS 97 H LYS 97 -8.185 2.119 -2.424 603 HA LYS 97 HA LYS 97 -6.103 3.019 -4.078 604 HB3 LYS 97 2HB LYS 97 -8.406 1.117 -4.695 605 HG3 LYS 97 2HG LYS 97 -5.881 1.764 -6.223 606 HD3 LYS 97 2HD LYS 97 -6.415 -0.518 -7.389 607 HE3 LYS 97 2HE LYS 97 -4.863 -0.469 -4.756 608 HZ1 LYS 97 3HZ LYS 97 -4.629 -2.068 -7.235 609 HZ2 LYS 97 1HZ LYS 97 -4.811 -2.675 -5.708 610 HZ3 LYS 97 2HZ LYS 97 -3.416 -1.936 -6.181 611 H GLN 98 H GLN 98 -6.064 4.076 -6.081 612 HA GLN 98 HA GLN 98 -8.497 5.526 -6.980 613 HB3 GLN 98 2HB GLN 98 -7.033 7.443 -7.529 614 HG3 GLN 98 2HG GLN 98 -6.414 8.170 -5.207 615 HE21 GLN 98 1HE2 GLN 98 -9.348 6.225 -4.659 616 HE22 GLN 98 2HE2 GLN 98 -10.442 7.584 -4.821 617 H LYS 99 H LYS 99 -8.700 3.895 -8.295 618 HA LYS 99 HA LYS 99 -8.792 2.968 -10.406 619 HB3 LYS 99 2HB LYS 99 -7.563 3.822 -12.276 620 HG3 LYS 99 2HG LYS 99 -8.124 6.197 -10.437 621 HD3 LYS 99 2HD LYS 99 -8.314 5.905 -13.446 622 HE3 LYS 99 2HE LYS 99 -8.713 8.257 -11.571 623 HZ1 LYS 99 3HZ LYS 99 -7.582 8.942 -13.553 624 HZ2 LYS 99 1HZ LYS 99 -9.093 9.513 -13.539 625 HZ3 LYS 99 2HZ LYS 99 -8.726 8.237 -14.530 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -6.677 -8.364 16.720 2 HA2 GLY 1 1HA GLY 1 -6.778 -5.436 17.097 3 HA3 GLY 1 2HA GLY 1 -5.613 -6.211 15.998 4 H GLU 2 H GLU 2 -6.344 -5.664 13.948 5 HA GLU 2 HA GLU 2 -9.188 -6.306 13.275 6 HB3 GLU 2 2HB GLU 2 -8.613 -4.989 11.162 7 HG3 GLU 2 2HG GLU 2 -8.675 -3.491 13.806 8 H ASP 3 H ASP 3 -9.492 -7.446 11.283 9 HA ASP 3 HA ASP 3 -7.437 -9.484 10.821 10 HB3 ASP 3 2HB ASP 3 -9.141 -10.764 9.802 11 H TRP 4 H TRP 4 -5.972 -8.750 9.468 12 HA TRP 4 HA TRP 4 -6.844 -7.713 6.809 13 HB3 TRP 4 2HB TRP 4 -4.539 -6.692 6.765 14 HD1 TRP 4 HD TRP 4 -5.940 -5.520 10.141 15 HE1 TRP 4 1HE TRP 4 -7.248 -3.339 9.827 16 HE3 TRP 4 3HE TRP 4 -5.846 -5.341 5.116 17 HZ2 TRP 4 2HZ TRP 4 -8.087 -1.603 7.491 18 HZ3 TRP 4 3HZ TRP 4 -6.849 -3.426 3.847 19 HH2 TRP 4 HH TRP 4 -7.969 -1.590 5.073 20 H THR 5 H THR 5 -5.427 -8.399 4.909 21 HA THR 5 HA THR 5 -4.669 -11.089 5.010 22 HB THR 5 HB THR 5 -4.006 -9.186 2.786 23 HG1 THR 5 1HG THR 5 -6.748 -9.708 3.497 24 HG21 THR 5 3HG2 THR 5 -4.067 -11.519 2.266 25 HG22 THR 5 1HG2 THR 5 -5.351 -10.647 1.403 26 HG23 THR 5 2HG2 THR 5 -5.758 -11.606 2.853 27 H GLU 6 H GLU 6 -2.568 -11.450 3.654 28 HA GLU 6 HA GLU 6 -0.213 -10.272 4.819 29 HB3 GLU 6 2HB GLU 6 0.689 -11.436 2.616 30 HG3 GLU 6 2HG GLU 6 1.005 -12.318 4.917 31 H LEU 7 H LEU 7 0.909 -8.543 4.078 32 HA LEU 7 HA LEU 7 0.225 -7.028 1.729 33 HB3 LEU 7 2HB LEU 7 2.844 -6.566 2.989 34 HG LEU 7 HG LEU 7 0.243 -5.287 2.687 35 HD11 LEU 7 1HD1 LEU 7 2.255 -4.101 4.613 36 HD12 LEU 7 2HD1 LEU 7 0.816 -4.957 5.152 37 HD13 LEU 7 3HD1 LEU 7 0.650 -3.440 4.214 38 HD21 LEU 7 3HD2 LEU 7 1.897 -5.017 1.094 39 HD22 LEU 7 1HD2 LEU 7 2.959 -4.246 2.321 40 HD23 LEU 7 2HD2 LEU 7 1.402 -3.469 1.883 41 H ASN 8 H ASN 8 1.148 -7.456 -0.252 42 HA ASN 8 HA ASN 8 3.800 -8.457 -0.072 43 HB3 ASN 8 2HB ASN 8 3.731 -10.261 -1.663 44 HD21 ASN 8 1HD2 ASN 8 0.413 -10.908 -1.329 45 HD22 ASN 8 2HD2 ASN 8 0.525 -12.048 0.015 46 H SER 9 H SER 9 4.659 -8.526 -2.570 47 HA SER 9 HA SER 9 4.561 -5.822 -3.486 48 HB3 SER 9 2HB SER 9 5.722 -8.175 -5.012 49 HG SER 9 HG SER 9 6.626 -6.563 -5.961 50 H ASN 10 H ASN 10 1.873 -7.258 -3.704 51 HA ASN 10 HA ASN 10 1.483 -6.999 -6.665 52 HB3 ASN 10 2HB ASN 10 0.556 -9.021 -6.993 53 HD21 ASN 10 1HD2 ASN 10 3.122 -9.253 -7.260 54 HD22 ASN 10 2HD2 ASN 10 3.923 -10.235 -6.078 55 H ASN 11 H ASN 11 -0.263 -7.557 -3.531 56 HA ASN 11 HA ASN 11 -2.595 -6.246 -4.525 57 HB3 ASN 11 2HB ASN 11 -3.068 -7.652 -2.776 58 HD21 ASN 11 1HD2 ASN 11 -2.701 -8.779 -0.888 59 HD22 ASN 11 2HD2 ASN 11 -1.472 -8.406 0.276 60 H ILE 12 H ILE 12 0.348 -4.786 -2.988 61 HA ILE 12 HA ILE 12 -1.079 -2.348 -2.567 62 HB ILE 12 HB ILE 12 0.737 -3.045 -1.203 63 HG13 ILE 12 2HG1 ILE 12 0.125 -0.433 -2.092 64 HG21 ILE 12 1HG2 ILE 12 2.633 -2.351 -3.483 65 HG22 ILE 12 2HG2 ILE 12 3.064 -2.794 -1.830 66 HG23 ILE 12 3HG2 ILE 12 2.298 -3.992 -2.876 67 HD11 ILE 12 3HD1 ILE 12 1.813 -1.211 0.262 68 HD12 ILE 12 1HD1 ILE 12 1.041 0.373 -0.056 69 HD13 ILE 12 2HD1 ILE 12 0.031 -1.071 0.182 70 H ILE 13 H ILE 13 0.250 -3.628 -5.450 71 HA ILE 13 HA ILE 13 1.342 -1.344 -6.619 72 HB ILE 13 HB ILE 13 0.012 -3.691 -8.012 73 HG13 ILE 13 2HG1 ILE 13 2.214 -4.758 -7.988 74 HG21 ILE 13 1HG2 ILE 13 0.586 -1.893 -9.579 75 HG22 ILE 13 2HG2 ILE 13 2.237 -1.841 -8.948 76 HG23 ILE 13 3HG2 ILE 13 1.652 -3.278 -9.804 77 HD11 ILE 13 3HD1 ILE 13 3.000 -2.914 -5.713 78 HD12 ILE 13 1HD1 ILE 13 3.942 -4.227 -6.438 79 HD13 ILE 13 2HD1 ILE 13 3.655 -2.733 -7.346 80 H GLY 14 H GLY 14 0.451 0.521 -7.274 81 HA2 GLY 14 1HA GLY 14 -1.322 1.190 -9.076 82 HA3 GLY 14 2HA GLY 14 -2.448 0.795 -7.772 83 H TYR 15 H TYR 15 -2.920 3.206 -8.220 84 HA TYR 15 HA TYR 15 -1.162 5.077 -6.743 85 HB3 TYR 15 2HB TYR 15 -3.399 6.449 -7.573 86 HD1 TYR 15 2HD TYR 15 -0.428 5.019 -9.469 87 HD2 TYR 15 1HD TYR 15 -2.640 8.488 -8.215 88 HE1 TYR 15 2HE TYR 15 1.356 6.478 -10.367 89 HE2 TYR 15 1HE TYR 15 -0.847 9.963 -9.055 90 HH TYR 15 HH TYR 15 2.276 8.755 -10.154 91 H TRP 16 H TRP 16 -2.296 6.446 -5.036 92 HA TRP 16 HA TRP 16 -4.627 5.122 -3.749 93 HB3 TRP 16 2HB TRP 16 -3.390 5.082 -1.580 94 HD1 TRP 16 HD TRP 16 -0.554 3.639 -3.643 95 HE1 TRP 16 1HE TRP 16 -0.758 1.080 -3.780 96 HE3 TRP 16 3HE TRP 16 -5.100 3.027 -1.365 97 HZ2 TRP 16 2HZ TRP 16 -2.466 -0.906 -2.771 98 HZ3 TRP 16 3HZ TRP 16 -5.996 0.662 -1.004 99 HH2 TRP 16 HH TRP 16 -4.736 -1.251 -1.769 100 H SER 17 H SER 17 -5.946 6.605 -2.669 101 HA SER 17 HA SER 17 -4.909 9.308 -1.996 102 HB3 SER 17 2HB SER 17 -7.357 8.681 -3.700 103 HG SER 17 HG SER 17 -7.693 10.838 -3.763 104 H THR 18 H THR 18 -6.507 10.419 -0.532 105 HA THR 18 HA THR 18 -8.210 8.515 1.047 106 HB THR 18 HB THR 18 -6.132 8.776 2.226 107 HG1 THR 18 1HG THR 18 -6.913 9.257 4.151 108 HG21 THR 18 3HG2 THR 18 -6.667 11.785 2.359 109 HG22 THR 18 1HG2 THR 18 -5.397 11.032 1.368 110 HG23 THR 18 2HG2 THR 18 -5.330 10.897 3.117 111 H GLY 19 H GLY 19 -8.028 11.555 -0.618 112 HA2 GLY 19 1HA GLY 19 -10.601 12.433 -0.284 113 HA3 GLY 19 2HA GLY 19 -9.662 13.114 1.084 114 H ILE 20 H ILE 20 -10.580 14.888 -0.686 115 HA ILE 20 HA ILE 20 -8.405 15.561 -2.601 116 HB ILE 20 HB ILE 20 -10.206 15.952 -4.272 117 HG13 ILE 20 2HG1 ILE 20 -12.111 16.207 -2.619 118 HG21 ILE 20 1HG2 ILE 20 -10.143 13.068 -3.243 119 HG22 ILE 20 2HG2 ILE 20 -10.435 13.616 -4.893 120 HG23 ILE 20 3HG2 ILE 20 -8.852 13.852 -4.168 121 HD11 ILE 20 3HD1 ILE 20 -12.694 14.012 -4.623 122 HD12 ILE 20 1HD1 ILE 20 -13.832 15.169 -3.913 123 HD13 ILE 20 2HD1 ILE 20 -12.583 15.746 -5.037 124 H GLU 21 H GLU 21 -8.757 16.703 -0.051 125 HA GLU 21 HA GLU 21 -9.750 19.437 -0.532 126 HB3 GLU 21 2HB GLU 21 -11.701 18.041 0.160 127 HG3 GLU 21 2HG GLU 21 -10.121 17.508 2.708 128 H GLY 22 H GLY 22 -9.590 20.532 1.800 129 HA2 GLY 22 1HA GLY 22 -8.290 21.335 3.468 130 HA3 GLY 22 2HA GLY 22 -8.512 19.679 3.983 131 H THR 23 H THR 23 -6.701 18.318 4.080 132 HA THR 23 HA THR 23 -4.283 19.044 2.571 133 HB THR 23 HB THR 23 -4.037 17.927 5.387 134 HG1 THR 23 1HG THR 23 -5.085 19.880 5.579 135 HG21 THR 23 3HG2 THR 23 -1.765 18.843 5.221 136 HG22 THR 23 1HG2 THR 23 -2.141 19.563 3.638 137 HG23 THR 23 2HG2 THR 23 -2.094 17.799 3.824 138 H HIS 24 H HIS 24 -4.016 17.215 1.182 139 HA HIS 24 HA HIS 24 -4.658 14.593 2.345 140 HB3 HIS 24 2HB HIS 24 -6.582 15.200 1.005 141 HD1 HIS 24 1HD HIS 24 -6.635 17.548 -0.322 142 HD2 HIS 24 2HD HIS 24 -4.496 14.392 -2.104 143 HE1 HIS 24 1HE HIS 24 -6.341 18.172 -2.795 144 H LYS 25 H LYS 25 -3.732 12.872 0.849 145 HA LYS 25 HA LYS 25 -0.928 13.566 0.154 146 HB3 LYS 25 2HB LYS 25 -0.569 11.409 1.715 147 HG3 LYS 25 2HG LYS 25 -0.996 14.271 2.665 148 HD3 LYS 25 2HD LYS 25 0.305 12.083 4.340 149 HE3 LYS 25 2HE LYS 25 -0.251 15.057 4.619 150 HZ1 LYS 25 3HZ LYS 25 -0.151 13.140 6.881 151 HZ2 LYS 25 1HZ LYS 25 -1.364 14.151 6.523 152 HZ3 LYS 25 2HZ LYS 25 0.053 14.772 7.053 153 H LEU 26 H LEU 26 -0.102 12.225 -1.393 154 HA LEU 26 HA LEU 26 -1.970 10.255 -2.612 155 HB3 LEU 26 2HB LEU 26 -0.081 11.879 -4.293 156 HG LEU 26 HG LEU 26 -1.881 11.944 -5.882 157 HD11 LEU 26 1HD1 LEU 26 -1.933 9.093 -4.945 158 HD12 LEU 26 2HD1 LEU 26 -0.535 9.832 -5.769 159 HD13 LEU 26 3HD1 LEU 26 -2.120 9.755 -6.561 160 HD21 LEU 26 3HD2 LEU 26 -3.690 10.525 -3.892 161 HD22 LEU 26 1HD2 LEU 26 -4.095 11.042 -5.538 162 HD23 LEU 26 2HD2 LEU 26 -3.761 12.249 -4.292 163 H LEU 27 H LEU 27 -0.919 8.393 -3.516 164 HA LEU 27 HA LEU 27 1.984 8.019 -3.079 165 HB3 LEU 27 2HB LEU 27 0.930 5.578 -2.361 166 HG LEU 27 HG LEU 27 1.412 7.810 -0.389 167 HD11 LEU 27 1HD1 LEU 27 1.526 5.974 1.270 168 HD12 LEU 27 2HD1 LEU 27 0.961 4.849 0.050 169 HD13 LEU 27 3HD1 LEU 27 -0.089 6.173 0.568 170 HD21 LEU 27 3HD2 LEU 27 3.507 6.367 0.066 171 HD22 LEU 27 1HD2 LEU 27 3.492 7.406 -1.370 172 HD23 LEU 27 2HD2 LEU 27 3.199 5.679 -1.544 173 H SER 28 H SER 28 2.781 6.236 -4.391 174 HA SER 28 HA SER 28 0.869 4.645 -5.829 175 HB3 SER 28 2HB SER 28 1.100 6.373 -7.429 176 HG SER 28 HG SER 28 2.820 7.501 -6.974 177 H PHE 29 H PHE 29 1.883 2.727 -6.696 178 HA PHE 29 HA PHE 29 4.695 2.191 -6.057 179 HB3 PHE 29 2HB PHE 29 4.103 0.039 -4.964 180 HD1 PHE 29 1HD PHE 29 5.774 1.531 -3.694 181 HD2 PHE 29 2HD PHE 29 1.498 2.009 -3.322 182 HE1 PHE 29 1HE PHE 29 6.087 2.914 -1.676 183 HE2 PHE 29 2HE PHE 29 1.854 3.407 -1.275 184 HZ PHE 29 HZ PHE 29 4.146 3.794 -0.428 185 H ASP 30 H ASP 30 5.585 0.928 -7.665 186 HA ASP 30 HA ASP 30 3.738 -0.175 -9.722 187 HB3 ASP 30 2HB ASP 30 6.138 -0.050 -10.976 188 H GLU 31 H GLU 31 4.277 -2.190 -10.600 189 HA GLU 31 HA GLU 31 5.218 -3.983 -8.497 190 HB3 GLU 31 2HB GLU 31 4.845 -5.139 -11.206 191 HG3 GLU 31 2HG GLU 31 2.875 -6.127 -9.510 192 H ASP 32 H ASP 32 6.639 -2.526 -11.289 193 HA ASP 32 HA ASP 32 9.066 -4.251 -10.978 194 HB3 ASP 32 2HB ASP 32 8.751 -3.300 -13.692 195 H GLY 33 H GLY 33 7.905 -1.232 -10.551 196 HA2 GLY 33 1HA GLY 33 10.391 0.202 -11.410 197 HA3 GLY 33 2HA GLY 33 8.783 0.924 -11.472 198 H THR 34 H THR 34 8.903 2.511 -9.915 199 HA THR 34 HA THR 34 9.768 1.789 -7.164 200 HB THR 34 HB THR 34 10.737 4.026 -6.927 201 HG1 THR 34 1HG THR 34 11.162 5.250 -8.746 202 HG21 THR 34 3HG2 THR 34 12.148 2.058 -7.610 203 HG22 THR 34 1HG2 THR 34 12.806 3.624 -8.100 204 HG23 THR 34 2HG2 THR 34 12.005 2.593 -9.295 205 H GLY 35 H GLY 35 8.797 3.224 -5.517 206 HA2 GLY 35 1HA GLY 35 5.993 3.824 -6.154 207 HA3 GLY 35 2HA GLY 35 6.730 3.787 -4.549 208 H SER 36 H SER 36 5.170 5.903 -5.215 209 HA SER 36 HA SER 36 7.156 8.084 -5.101 210 HB3 SER 36 2HB SER 36 6.345 9.433 -6.744 211 HG SER 36 HG SER 36 6.957 7.436 -7.946 212 H PHE 37 H PHE 37 6.179 10.086 -4.164 213 HA PHE 37 HA PHE 37 3.638 9.670 -2.722 214 HB3 PHE 37 2HB PHE 37 6.344 10.207 -1.461 215 HD1 PHE 37 2HD PHE 37 2.748 9.718 -0.412 216 HD2 PHE 37 1HD PHE 37 6.554 11.544 0.428 217 HE1 PHE 37 2HE PHE 37 1.757 10.844 1.549 218 HE2 PHE 37 1HE PHE 37 5.571 12.685 2.392 219 HZ PHE 37 HZ PHE 37 3.159 12.358 2.955 220 H GLY 38 H GLY 38 2.609 11.688 -2.207 221 HA2 GLY 38 1HA GLY 38 4.003 14.197 -2.811 222 HA3 GLY 38 2HA GLY 38 2.576 13.814 -3.790 223 H ILE 39 H ILE 39 2.806 16.013 -1.963 224 HA ILE 39 HA ILE 39 0.630 15.377 -0.035 225 HB ILE 39 HB ILE 39 2.896 17.344 0.497 226 HG13 ILE 39 2HG1 ILE 39 3.614 14.896 0.668 227 HG21 ILE 39 1HG2 ILE 39 1.871 17.520 2.763 228 HG22 ILE 39 2HG2 ILE 39 0.787 18.040 1.496 229 HG23 ILE 39 3HG2 ILE 39 0.552 16.440 2.234 230 HD11 ILE 39 3HD1 ILE 39 4.774 15.067 2.714 231 HD12 ILE 39 1HD1 ILE 39 4.721 16.693 2.012 232 HD13 ILE 39 2HD1 ILE 39 3.634 16.264 3.357 233 H TYR 40 H TYR 40 -1.028 16.828 -0.159 234 HA TYR 40 HA TYR 40 -0.762 19.085 -2.066 235 HB3 TYR 40 2HB TYR 40 -3.236 18.629 -2.454 236 HD1 TYR 40 2HD TYR 40 -1.001 15.548 -2.599 237 HD2 TYR 40 1HD TYR 40 -3.230 18.532 -4.789 238 HE1 TYR 40 2HE TYR 40 -0.330 14.490 -4.712 239 HE2 TYR 40 1HE TYR 40 -2.633 17.417 -6.905 240 HH TYR 40 HH TYR 40 -0.291 14.757 -7.088 241 H SER 41 H SER 41 -2.035 20.888 -1.552 242 HA SER 41 HA SER 41 -3.383 20.981 1.107 243 HB3 SER 41 2HB SER 41 -2.942 23.612 0.328 244 HG SER 41 HG SER 41 -1.807 23.654 2.132 245 H ASN 42 H ASN 42 -5.464 21.334 0.870 246 HA ASN 42 HA ASN 42 -7.460 21.322 -0.017 247 HB3 ASN 42 2HB ASN 42 -6.835 23.872 -1.492 248 HD21 ASN 42 1HD2 ASN 42 -8.666 23.612 1.434 249 HD22 ASN 42 2HD2 ASN 42 -10.244 23.305 0.770 250 H ALA 43 H ALA 43 -6.036 22.800 -2.882 251 HA ALA 43 HA ALA 43 -6.407 20.362 -4.484 252 HB1 ALA 43 1HB ALA 43 -7.670 21.594 -6.265 253 HB2 ALA 43 2HB ALA 43 -8.588 21.348 -4.782 254 HB3 ALA 43 3HB ALA 43 -7.874 22.939 -5.114 255 H THR 44 H THR 44 -3.998 21.314 -3.664 256 HA THR 44 HA THR 44 -2.723 22.098 -6.193 257 HB THR 44 HB THR 44 -2.391 23.627 -3.549 258 HG1 THR 44 1HG THR 44 -4.095 23.854 -5.609 259 HG21 THR 44 3HG2 THR 44 -1.205 24.153 -6.324 260 HG22 THR 44 1HG2 THR 44 -0.292 23.575 -4.915 261 HG23 THR 44 2HG2 THR 44 -1.017 25.189 -4.903 262 HA PRO 45 HA PRO 45 0.043 19.026 -4.132 263 HB3 PRO 45 2HB PRO 45 0.346 17.984 -6.160 264 HG3 PRO 45 2HG PRO 45 0.242 19.184 -8.207 265 HD3 PRO 45 2HD PRO 45 -1.748 19.806 -7.110 266 H ILE 46 H ILE 46 1.785 19.439 -2.824 267 HA ILE 46 HA ILE 46 3.374 21.933 -3.218 268 HB ILE 46 HB ILE 46 2.557 20.926 -0.492 269 HG13 ILE 46 2HG1 ILE 46 0.748 22.409 -0.260 270 HG21 ILE 46 1HG2 ILE 46 4.375 22.535 -0.441 271 HG22 ILE 46 2HG2 ILE 46 3.532 23.614 -1.550 272 HG23 ILE 46 3HG2 ILE 46 2.908 23.390 0.090 273 HD11 ILE 46 3HD1 ILE 46 1.206 24.344 -1.608 274 HD12 ILE 46 1HD1 ILE 46 1.234 23.383 -3.096 275 HD13 ILE 46 2HD1 ILE 46 -0.293 23.616 -2.209 276 H SER 47 H SER 47 3.488 18.471 -2.651 277 HA SER 47 HA SER 47 6.409 18.688 -2.442 278 HB3 SER 47 2HB SER 47 4.724 17.071 -0.511 279 HG SER 47 HG SER 47 7.545 17.209 -0.334 280 H PHE 48 H PHE 48 7.362 16.642 -2.821 281 HA PHE 48 HA PHE 48 6.012 14.603 -4.388 282 HB3 PHE 48 2HB PHE 48 8.013 16.292 -5.922 283 HD1 PHE 48 1HD PHE 48 4.508 15.345 -6.713 284 HD2 PHE 48 2HD PHE 48 8.668 14.373 -7.294 285 HE1 PHE 48 1HE PHE 48 3.910 13.927 -8.654 286 HE2 PHE 48 2HE PHE 48 8.054 12.891 -9.213 287 HZ PHE 48 HZ PHE 48 5.670 12.742 -9.925 288 H GLN 49 H GLN 49 7.447 12.757 -4.520 289 HA GLN 49 HA GLN 49 10.286 13.043 -4.595 290 HB3 GLN 49 2HB GLN 49 10.135 13.195 -2.166 291 HG3 GLN 49 2HG GLN 49 7.816 11.720 -2.195 292 HE21 GLN 49 1HE2 GLN 49 9.123 10.265 0.494 293 HE22 GLN 49 2HE2 GLN 49 9.493 8.707 -0.230 294 H MET 50 H MET 50 11.203 10.680 -4.761 295 HA MET 50 HA MET 50 9.240 8.696 -5.648 296 HB3 MET 50 2HB MET 50 10.756 8.145 -7.526 297 HG3 MET 50 2HG MET 50 9.863 11.038 -7.740 298 HE1 MET 50 3HE MET 50 12.120 10.172 -11.010 299 HE2 MET 50 1HE MET 50 11.943 11.329 -9.662 300 HE3 MET 50 2HE MET 50 12.393 9.627 -9.344 301 H PHE 51 H PHE 51 9.898 6.630 -4.964 302 HA PHE 51 HA PHE 51 12.487 6.273 -3.749 303 HB3 PHE 51 2HB PHE 51 11.251 7.362 -1.963 304 HD1 PHE 51 2HD PHE 51 8.556 6.758 -3.456 305 HD2 PHE 51 1HD PHE 51 10.246 5.576 0.321 306 HE1 PHE 51 2HE PHE 51 6.310 6.457 -2.543 307 HE2 PHE 51 1HE PHE 51 7.972 5.344 1.253 308 HZ PHE 51 HZ PHE 51 5.975 5.774 -0.196 309 H ASP 52 H ASP 52 13.045 4.143 -3.577 310 HA ASP 52 HA ASP 52 11.247 2.176 -4.952 311 HB3 ASP 52 2HB ASP 52 13.927 1.348 -3.852 312 H TYR 53 H TYR 53 11.225 0.020 -3.798 313 HA TYR 53 HA TYR 53 11.295 0.096 -0.896 314 HB3 TYR 53 2HB TYR 53 9.075 1.235 -1.543 315 HD1 TYR 53 2HD TYR 53 9.083 -0.162 -4.199 316 HD2 TYR 53 1HD TYR 53 7.015 -1.194 -0.562 317 HE1 TYR 53 2HE TYR 53 7.608 -1.611 -5.462 318 HE2 TYR 53 1HE TYR 53 5.404 -2.562 -1.912 319 HH TYR 53 HH TYR 53 6.049 -3.394 -5.231 320 H LYS 54 H LYS 54 10.562 -2.064 0.088 321 HA LYS 54 HA LYS 54 9.864 -4.148 -1.859 322 HB3 LYS 54 2HB LYS 54 11.315 -5.819 -0.634 323 HG3 LYS 54 2HG LYS 54 13.541 -5.046 -1.455 324 HD3 LYS 54 2HD LYS 54 11.233 -4.656 -3.402 325 HE3 LYS 54 2HE LYS 54 14.020 -5.582 -4.108 326 HZ1 LYS 54 3HZ LYS 54 13.213 -5.216 -6.302 327 HZ2 LYS 54 1HZ LYS 54 11.843 -4.512 -5.759 328 HZ3 LYS 54 2HZ LYS 54 12.050 -6.131 -5.544 329 H ILE 55 H ILE 55 8.686 -5.909 -0.951 330 HA ILE 55 HA ILE 55 7.600 -5.473 1.794 331 HB ILE 55 HB ILE 55 6.168 -7.023 -0.369 332 HG13 ILE 55 2HG1 ILE 55 4.710 -5.237 -0.828 333 HG21 ILE 55 1HG2 ILE 55 4.119 -6.377 1.151 334 HG22 ILE 55 2HG2 ILE 55 5.218 -7.639 1.725 335 HG23 ILE 55 3HG2 ILE 55 5.314 -5.998 2.378 336 HD11 ILE 55 3HD1 ILE 55 6.402 -3.215 0.616 337 HD12 ILE 55 1HD1 ILE 55 4.712 -3.092 0.036 338 HD13 ILE 55 2HD1 ILE 55 5.070 -3.994 1.491 339 H GLU 56 H GLU 56 9.444 -6.569 2.747 340 HA GLU 56 HA GLU 56 9.630 -9.510 2.260 341 HB3 GLU 56 2HB GLU 56 12.006 -9.137 3.213 342 HG3 GLU 56 2HG GLU 56 12.864 -8.077 1.097 343 H GLU 57 H GLU 57 7.805 -8.140 4.015 344 HA GLU 57 HA GLU 57 8.153 -9.549 6.367 345 HB3 GLU 57 2HB GLU 57 8.241 -6.883 7.388 346 HG3 GLU 57 2HG GLU 57 9.953 -9.350 7.847 347 H GLY 58 H GLY 58 6.090 -8.530 4.353 348 HA2 GLY 58 1HA GLY 58 3.789 -8.012 4.444 349 HA3 GLY 58 2HA GLY 58 3.855 -8.274 6.188 350 H ARG 59 H ARG 59 6.099 -5.995 4.834 351 HA ARG 59 HA ARG 59 4.628 -3.592 5.715 352 HB3 ARG 59 2HB ARG 59 6.693 -2.980 7.096 353 HG3 ARG 59 2HG ARG 59 5.347 -5.532 8.081 354 HD3 ARG 59 2HD ARG 59 6.609 -3.162 9.503 355 HE ARG 59 HE ARG 59 4.426 -4.780 10.312 356 HH11 ARG 59 1HH1 ARG 59 7.583 -3.841 11.731 357 HH12 ARG 59 2HH1 ARG 59 6.897 -3.432 13.245 358 HH21 ARG 59 1HH2 ARG 59 3.615 -4.529 12.343 359 HH22 ARG 59 2HH2 ARG 59 4.633 -4.032 13.685 360 H ILE 60 H ILE 60 6.011 -1.634 5.152 361 HA ILE 60 HA ILE 60 7.210 -2.166 2.467 362 HB ILE 60 HB ILE 60 6.128 0.347 3.753 363 HG13 ILE 60 2HG1 ILE 60 4.453 -1.465 3.001 364 HG21 ILE 60 1HG2 ILE 60 8.047 0.321 1.756 365 HG22 ILE 60 2HG2 ILE 60 6.555 0.398 0.820 366 HG23 ILE 60 3HG2 ILE 60 6.856 1.610 2.046 367 HD11 ILE 60 3HD1 ILE 60 3.848 0.961 3.200 368 HD12 ILE 60 1HD1 ILE 60 4.325 1.171 1.504 369 HD13 ILE 60 2HD1 ILE 60 2.954 0.109 1.917 370 H TYR 61 H TYR 61 9.331 -2.245 2.418 371 HA TYR 61 HA TYR 61 11.071 -1.023 4.499 372 HB3 TYR 61 2HB TYR 61 11.570 -2.964 2.205 373 HD1 TYR 61 1HD TYR 61 13.228 -1.667 5.356 374 HD2 TYR 61 2HD TYR 61 13.727 -3.073 1.297 375 HE1 TYR 61 1HE TYR 61 15.666 -1.559 5.629 376 HE2 TYR 61 2HE TYR 61 16.173 -2.951 1.555 377 HH TYR 61 HH TYR 61 17.701 -1.782 4.585 378 H ILE 62 H ILE 62 11.919 0.983 4.003 379 HA ILE 62 HA ILE 62 11.953 1.920 1.171 380 HB ILE 62 HB ILE 62 12.407 3.493 3.749 381 HG13 ILE 62 2HG1 ILE 62 10.115 4.425 3.436 382 HG21 ILE 62 1HG2 ILE 62 13.361 4.649 1.891 383 HG22 ILE 62 2HG2 ILE 62 11.964 4.321 0.852 384 HG23 ILE 62 3HG2 ILE 62 11.826 5.450 2.222 385 HD11 ILE 62 3HD1 ILE 62 9.693 3.473 1.081 386 HD12 ILE 62 1HD1 ILE 62 9.525 1.902 1.840 387 HD13 ILE 62 2HD1 ILE 62 8.412 3.205 2.286 388 H TYR 63 H TYR 63 13.999 2.479 0.277 389 HA TYR 63 HA TYR 63 16.389 2.511 1.945 390 HB3 TYR 63 2HB TYR 63 15.941 0.058 1.723 391 HD1 TYR 63 2HD TYR 63 14.008 -0.371 0.012 392 HD2 TYR 63 1HD TYR 63 18.126 0.241 -1.166 393 HE1 TYR 63 2HE TYR 63 13.553 -1.413 -2.200 394 HE2 TYR 63 1HE TYR 63 17.665 -0.833 -3.343 395 HH TYR 63 HH TYR 63 15.810 -1.366 -4.775 396 H ASP 64 H ASP 64 14.811 3.727 -0.715 397 HA ASP 64 HA ASP 64 17.200 4.909 -1.806 398 HB3 ASP 64 2HB ASP 64 15.339 3.115 -3.447 399 H VAL 65 H VAL 65 16.422 7.056 -1.604 400 HA VAL 65 HA VAL 65 13.899 7.642 -2.858 401 HB VAL 65 HB VAL 65 13.539 7.387 -0.315 402 HG11 VAL 65 1HG1 VAL 65 14.812 9.769 0.332 403 HG12 VAL 65 2HG1 VAL 65 13.979 8.511 1.255 404 HG13 VAL 65 3HG1 VAL 65 15.481 8.066 0.410 405 HG21 VAL 65 3HG2 VAL 65 13.209 10.331 -1.106 406 HG22 VAL 65 1HG2 VAL 65 12.220 9.178 -1.950 407 HG23 VAL 65 2HG2 VAL 65 12.045 9.362 -0.189 408 H TYR 66 H TYR 66 13.832 9.907 -3.471 409 HA TYR 66 HA TYR 66 16.374 11.374 -3.400 410 HB3 TYR 66 2HB TYR 66 15.540 9.746 -5.615 411 HD1 TYR 66 1HD TYR 66 13.247 10.981 -6.134 412 HD2 TYR 66 2HD TYR 66 17.172 12.506 -7.112 413 HE1 TYR 66 1HE TYR 66 12.240 12.475 -7.788 414 HE2 TYR 66 2HE TYR 66 16.172 14.016 -8.771 415 HH TYR 66 HH TYR 66 12.620 14.171 -9.320 416 HA PRO 67 HA PRO 67 16.892 13.291 -4.933 417 HB3 PRO 67 2HB PRO 67 16.379 15.361 -5.774 418 HG3 PRO 67 2HG PRO 67 14.764 16.808 -4.636 419 HD3 PRO 67 2HD PRO 67 13.706 14.693 -5.248 420 H ASP 68 H ASP 68 15.713 14.630 -1.837 421 HA ASP 68 HA ASP 68 18.183 13.938 -0.468 422 HB3 ASP 68 2HB ASP 68 16.447 14.147 1.542 423 H GLU 69 H GLU 69 18.645 11.921 0.316 424 HA GLU 69 HA GLU 69 16.778 9.709 -0.092 425 HB3 GLU 69 2HB GLU 69 19.002 9.233 -0.691 426 HG3 GLU 69 2HG GLU 69 19.734 10.616 1.846 427 H LYS 70 H LYS 70 15.845 8.589 1.820 428 HA LYS 70 HA LYS 70 16.626 9.805 4.459 429 HB3 LYS 70 2HB LYS 70 14.493 8.800 5.242 430 HG3 LYS 70 2HG LYS 70 12.925 9.745 3.303 431 HD3 LYS 70 2HD LYS 70 13.327 10.876 5.563 432 HE3 LYS 70 2HE LYS 70 15.453 12.312 3.900 433 HZ1 LYS 70 3HZ LYS 70 14.757 12.826 6.729 434 HZ2 LYS 70 1HZ LYS 70 14.173 13.763 5.495 435 HZ3 LYS 70 2HZ LYS 70 15.786 13.664 5.785 436 H THR 71 H THR 71 17.032 8.389 6.195 437 HA THR 71 HA THR 71 18.668 6.122 5.786 438 HB THR 71 HB THR 71 18.051 7.678 7.856 439 HG1 THR 71 1HG THR 71 19.182 5.172 7.811 440 HG21 THR 71 3HG2 THR 71 15.759 6.845 8.114 441 HG22 THR 71 1HG2 THR 71 16.738 6.553 9.575 442 HG23 THR 71 2HG2 THR 71 16.386 5.223 8.462 443 HA PRO 72 HA PRO 72 15.512 3.195 4.584 444 HB3 PRO 72 2HB PRO 72 17.220 1.790 3.792 445 HG3 PRO 72 2HG PRO 72 19.290 1.627 4.987 446 HD3 PRO 72 2HD PRO 72 18.965 3.953 4.594 447 H TYR 73 H TYR 73 13.766 2.210 5.628 448 HA TYR 73 HA TYR 73 13.968 1.122 8.293 449 HB3 TYR 73 2HB TYR 73 13.673 3.364 9.045 450 HD1 TYR 73 1HD TYR 73 10.279 3.094 7.438 451 HD2 TYR 73 2HD TYR 73 13.978 5.274 7.700 452 HE1 TYR 73 1HE TYR 73 9.341 4.887 5.998 453 HE2 TYR 73 2HE TYR 73 13.043 7.085 6.291 454 HH TYR 73 HH TYR 73 11.186 7.474 4.678 455 H TYR 74 H TYR 74 11.549 0.475 8.930 456 HA TYR 74 HA TYR 74 10.175 -0.487 6.495 457 HB3 TYR 74 2HB TYR 74 9.204 -2.247 7.976 458 HD1 TYR 74 2HD TYR 74 12.839 -1.965 8.840 459 HD2 TYR 74 1HD TYR 74 9.891 -3.809 6.273 460 HE1 TYR 74 2HE TYR 74 14.543 -3.529 8.017 461 HE2 TYR 74 1HE TYR 74 11.595 -5.385 5.432 462 HH TYR 74 HH TYR 74 14.980 -5.325 6.684 463 H LEU 75 H LEU 75 7.921 -0.257 6.549 464 HA LEU 75 HA LEU 75 6.726 1.466 8.678 465 HB3 LEU 75 2HB LEU 75 5.175 2.259 6.857 466 HG LEU 75 HG LEU 75 8.085 2.862 6.168 467 HD11 LEU 75 1HD1 LEU 75 7.120 4.884 5.094 468 HD12 LEU 75 2HD1 LEU 75 5.486 4.325 5.497 469 HD13 LEU 75 3HD1 LEU 75 6.494 3.404 4.362 470 HD21 LEU 75 3HD2 LEU 75 6.096 4.252 8.003 471 HD22 LEU 75 1HD2 LEU 75 7.629 4.977 7.495 472 HD23 LEU 75 2HD2 LEU 75 7.650 3.517 8.483 473 H ASP 76 H ASP 76 5.422 0.390 9.816 474 HA ASP 76 HA ASP 76 4.101 -2.044 9.184 475 HB3 ASP 76 2HB ASP 76 4.159 -1.793 11.341 476 H CYS 77 H CYS 77 2.474 -2.377 7.887 477 HA CYS 77 HA CYS 77 0.354 -0.507 7.664 478 HB3 CYS 77 2HB CYS 77 1.282 0.356 5.634 479 HG CYS 77 HG CYS 77 3.581 -0.922 6.047 480 H LYS 78 H LYS 78 -1.493 -1.585 6.550 481 HA LYS 78 HA LYS 78 -1.115 -4.380 5.798 482 HB3 LYS 78 2HB LYS 78 -3.277 -4.958 6.813 483 HG3 LYS 78 2HG LYS 78 -1.186 -4.826 8.394 484 HD3 LYS 78 2HD LYS 78 -2.142 -2.239 8.998 485 HE3 LYS 78 2HE LYS 78 -3.209 -4.327 10.933 486 HZ1 LYS 78 3HZ LYS 78 -3.797 -2.451 12.329 487 HZ2 LYS 78 1HZ LYS 78 -2.851 -1.441 11.513 488 HZ3 LYS 78 2HZ LYS 78 -2.179 -2.712 12.317 489 H ILE 79 H ILE 79 -2.985 -5.210 4.481 490 HA ILE 79 HA ILE 79 -4.530 -3.224 3.083 491 HB ILE 79 HB ILE 79 -2.124 -3.203 2.121 492 HG13 ILE 79 2HG1 ILE 79 -3.912 -2.213 0.875 493 HG21 ILE 79 1HG2 ILE 79 -1.961 -5.779 2.360 494 HG22 ILE 79 2HG2 ILE 79 -2.865 -5.847 0.856 495 HG23 ILE 79 3HG2 ILE 79 -1.284 -5.024 0.919 496 HD11 ILE 79 3HD1 ILE 79 -2.198 -4.019 -0.880 497 HD12 ILE 79 1HD1 ILE 79 -3.140 -2.663 -1.443 498 HD13 ILE 79 2HD1 ILE 79 -1.800 -2.382 -0.310 499 H SER 80 H SER 80 -6.068 -4.303 1.795 500 HA SER 80 HA SER 80 -6.178 -7.272 1.881 501 HB3 SER 80 2HB SER 80 -8.602 -5.496 2.299 502 HG SER 80 HG SER 80 -9.356 -7.329 3.398 503 H GLY 81 H GLY 81 -5.975 -4.733 -0.218 504 HA2 GLY 81 1HA GLY 81 -6.959 -5.231 -2.624 505 HA3 GLY 81 2HA GLY 81 -8.445 -5.277 -1.666 506 H THR 82 H THR 82 -9.153 -3.353 -2.666 507 HA THR 82 HA THR 82 -7.964 -1.015 -3.100 508 HB THR 82 HB THR 82 -10.390 -0.132 -3.034 509 HG1 THR 82 1HG THR 82 -10.854 -1.985 -1.400 510 HG21 THR 82 3HG2 THR 82 -11.061 -1.399 -4.959 511 HG22 THR 82 1HG2 THR 82 -9.969 -2.733 -4.560 512 HG23 THR 82 2HG2 THR 82 -9.310 -1.180 -5.065 513 H THR 83 H THR 83 -7.851 -1.738 0.091 514 HA THR 83 HA THR 83 -8.044 1.076 1.007 515 HB THR 83 HB THR 83 -8.806 -1.406 2.584 516 HG1 THR 83 1HG THR 83 -10.753 0.455 1.824 517 HG21 THR 83 3HG2 THR 83 -9.700 0.013 4.284 518 HG22 THR 83 1HG2 THR 83 -9.286 1.492 3.358 519 HG23 THR 83 2HG2 THR 83 -8.019 0.428 4.031 520 H LEU 84 H LEU 84 -5.921 1.669 1.440 521 HA LEU 84 HA LEU 84 -3.910 -0.316 2.317 522 HB3 LEU 84 2HB LEU 84 -3.419 2.648 1.932 523 HG LEU 84 HG LEU 84 -1.653 0.480 0.892 524 HD11 LEU 84 1HD1 LEU 84 0.106 2.179 1.189 525 HD12 LEU 84 2HD1 LEU 84 -1.112 3.299 1.834 526 HD13 LEU 84 3HD1 LEU 84 -1.222 2.709 0.152 527 HD21 LEU 84 3HD2 LEU 84 -1.573 1.166 3.764 528 HD22 LEU 84 1HD2 LEU 84 -0.217 0.476 2.841 529 HD23 LEU 84 2HD2 LEU 84 -1.716 -0.412 2.955 530 H LYS 85 H LYS 85 -3.613 -0.443 4.501 531 HA LYS 85 HA LYS 85 -4.312 1.938 6.194 532 HB3 LYS 85 2HB LYS 85 -4.356 -1.008 6.972 533 HG3 LYS 85 2HG LYS 85 -4.937 1.631 8.388 534 HD3 LYS 85 2HD LYS 85 -6.225 -1.010 9.184 535 HE3 LYS 85 2HE LYS 85 -6.407 1.842 10.236 536 HZ1 LYS 85 3HZ LYS 85 -8.576 0.664 10.117 537 HZ2 LYS 85 1HZ LYS 85 -8.134 1.027 11.654 538 HZ3 LYS 85 2HZ LYS 85 -8.024 -0.508 11.066 539 H VAL 86 H VAL 86 -2.226 2.863 5.883 540 HA VAL 86 HA VAL 86 0.076 1.353 6.962 541 HB VAL 86 HB VAL 86 0.162 4.256 6.259 542 HG11 VAL 86 1HG1 VAL 86 1.981 3.258 7.607 543 HG12 VAL 86 2HG1 VAL 86 2.358 2.149 6.284 544 HG13 VAL 86 3HG1 VAL 86 2.529 3.902 6.057 545 HG21 VAL 86 3HG2 VAL 86 0.941 2.010 4.322 546 HG22 VAL 86 1HG2 VAL 86 -0.502 3.001 4.138 547 HG23 VAL 86 2HG2 VAL 86 1.075 3.751 4.069 548 H GLU 87 H GLU 87 0.695 1.410 9.031 549 HA GLU 87 HA GLU 87 -0.962 2.712 11.043 550 HB3 GLU 87 2HB GLU 87 0.793 1.608 12.520 551 HG3 GLU 87 2HG GLU 87 -0.162 -0.688 11.756 552 H THR 88 H THR 88 2.432 2.978 9.736 553 HA THR 88 HA THR 88 2.777 5.556 11.206 554 HB THR 88 HB THR 88 3.711 3.522 12.297 555 HG1 THR 88 1HG THR 88 4.683 5.148 13.114 556 HG21 THR 88 3HG2 THR 88 4.581 2.407 10.215 557 HG22 THR 88 1HG2 THR 88 5.783 2.568 11.503 558 HG23 THR 88 2HG2 THR 88 5.825 3.669 10.125 559 H GLY 89 H GLY 89 5.196 6.462 10.346 560 HA2 GLY 89 1HA GLY 89 6.450 7.156 8.556 561 HA3 GLY 89 2HA GLY 89 5.274 6.460 7.424 562 H SER 90 H SER 90 5.615 8.566 6.477 563 HA SER 90 HA SER 90 4.052 10.894 7.342 564 HB3 SER 90 2HB SER 90 4.240 11.250 4.800 565 HG SER 90 HG SER 90 6.631 11.091 6.329 566 H GLU 91 H GLU 91 3.826 7.797 5.692 567 HA GLU 91 HA GLU 91 1.375 8.372 4.376 568 HB3 GLU 91 2HB GLU 91 1.703 6.206 3.392 569 HG3 GLU 91 2HG GLU 91 3.417 8.208 2.911 570 H ALA 92 H ALA 92 1.852 7.660 7.423 571 HA ALA 92 HA ALA 92 0.064 5.731 8.304 572 HB1 ALA 92 1HB ALA 92 1.595 6.932 9.824 573 HB2 ALA 92 2HB ALA 92 0.714 8.438 9.579 574 HB3 ALA 92 3HB ALA 92 -0.063 7.077 10.415 575 H GLY 93 H GLY 93 -1.978 5.521 7.583 576 HA2 GLY 93 1HA GLY 93 -4.097 7.267 8.199 577 HA3 GLY 93 2HA GLY 93 -3.607 7.664 6.571 578 H THR 94 H THR 94 -5.598 7.008 5.810 579 HA THR 94 HA THR 94 -5.992 4.111 5.427 580 HB THR 94 HB THR 94 -7.397 4.401 7.260 581 HG1 THR 94 1HG THR 94 -9.504 4.402 6.297 582 HG21 THR 94 3HG2 THR 94 -9.107 6.267 7.449 583 HG22 THR 94 1HG2 THR 94 -8.240 7.112 6.166 584 HG23 THR 94 2HG2 THR 94 -7.431 6.735 7.694 585 H TYR 95 H TYR 95 -5.520 4.157 3.277 586 HA TYR 95 HA TYR 95 -6.701 6.369 1.622 587 HB3 TYR 95 2HB TYR 95 -4.855 5.973 0.041 588 HD1 TYR 95 2HD TYR 95 -3.459 5.492 3.402 589 HD2 TYR 95 1HD TYR 95 -4.357 8.332 0.346 590 HE1 TYR 95 2HE TYR 95 -2.428 7.298 4.796 591 HE2 TYR 95 1HE TYR 95 -3.334 10.143 1.699 592 HH TYR 95 HH TYR 95 -2.055 9.578 4.981 593 H LYS 96 H LYS 96 -7.521 5.724 -0.434 594 HA LYS 96 HA LYS 96 -8.317 2.883 -0.541 595 HB3 LYS 96 2HB LYS 96 -10.157 3.541 -1.988 596 HG3 LYS 96 2HG LYS 96 -10.459 3.392 0.543 597 HD3 LYS 96 2HD LYS 96 -9.969 6.323 0.211 598 HE3 LYS 96 2HE LYS 96 -11.940 5.358 2.321 599 HZ1 LYS 96 3HZ LYS 96 -12.510 7.699 2.303 600 HZ2 LYS 96 1HZ LYS 96 -11.421 8.019 1.133 601 HZ3 LYS 96 2HZ LYS 96 -10.910 7.541 2.644 602 H LYS 97 H LYS 97 -8.032 1.858 -2.556 603 HA LYS 97 HA LYS 97 -5.777 2.568 -4.158 604 HB3 LYS 97 2HB LYS 97 -8.215 0.843 -4.779 605 HG3 LYS 97 2HG LYS 97 -7.008 1.525 -6.883 606 HD3 LYS 97 2HD LYS 97 -4.658 0.967 -5.294 607 HE3 LYS 97 2HE LYS 97 -4.890 -1.391 -6.032 608 HZ1 LYS 97 3HZ LYS 97 -4.036 -1.214 -8.652 609 HZ2 LYS 97 1HZ LYS 97 -5.275 -0.163 -8.607 610 HZ3 LYS 97 2HZ LYS 97 -5.518 -1.710 -8.160 611 H GLN 98 H GLN 98 -5.616 3.778 -6.004 612 HA GLN 98 HA GLN 98 -8.108 4.721 -7.264 613 HB3 GLN 98 2HB GLN 98 -6.945 6.706 -8.087 614 HG3 GLN 98 2HG GLN 98 -6.651 7.965 -5.956 615 HE21 GLN 98 1HE2 GLN 98 -8.996 5.611 -4.774 616 HE22 GLN 98 2HE2 GLN 98 -10.398 6.587 -5.143 617 H LYS 99 H LYS 99 -8.255 3.667 -8.911 618 HA LYS 99 HA LYS 99 -7.942 2.581 -10.940 619 HB3 LYS 99 2HB LYS 99 -6.299 3.683 -12.434 620 HG3 LYS 99 2HG LYS 99 -7.747 5.693 -10.644 621 HD3 LYS 99 2HD LYS 99 -7.154 5.585 -13.620 622 HE3 LYS 99 2HE LYS 99 -9.143 7.343 -12.100 623 HZ1 LYS 99 3HZ LYS 99 -8.397 7.096 -14.945 624 HZ2 LYS 99 1HZ LYS 99 -8.421 8.458 -14.031 625 HZ3 LYS 99 2HZ LYS 99 -9.827 7.760 -14.474 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -12.402 -5.816 15.534 2 HA2 GLY 1 1HA GLY 1 -9.928 -5.874 15.265 3 HA3 GLY 1 2HA GLY 1 -10.034 -7.608 15.630 4 H GLU 2 H GLU 2 -9.137 -6.151 13.115 5 HA GLU 2 HA GLU 2 -11.032 -7.326 11.145 6 HB3 GLU 2 2HB GLU 2 -9.614 -5.718 9.611 7 HG3 GLU 2 2HG GLU 2 -11.317 -3.805 10.761 8 H ASP 3 H ASP 3 -10.236 -8.782 9.915 9 HA ASP 3 HA ASP 3 -7.660 -10.000 10.617 10 HB3 ASP 3 2HB ASP 3 -8.607 -11.916 9.331 11 H TRP 4 H TRP 4 -6.770 -8.059 9.563 12 HA TRP 4 HA TRP 4 -6.854 -7.578 6.802 13 HB3 TRP 4 2HB TRP 4 -4.608 -6.531 7.126 14 HD1 TRP 4 HD TRP 4 -6.147 -5.757 10.473 15 HE1 TRP 4 1HE TRP 4 -7.495 -3.548 10.333 16 HE3 TRP 4 3HE TRP 4 -6.311 -5.388 5.501 17 HZ2 TRP 4 2HZ TRP 4 -8.281 -1.621 8.035 18 HZ3 TRP 4 3HZ TRP 4 -7.380 -3.430 4.332 19 HH2 TRP 4 HH TRP 4 -8.220 -1.534 5.719 20 H THR 5 H THR 5 -5.476 -8.251 4.966 21 HA THR 5 HA THR 5 -4.504 -10.962 5.192 22 HB THR 5 HB THR 5 -3.878 -9.670 2.673 23 HG1 THR 5 1HG THR 5 -6.532 -9.273 3.610 24 HG21 THR 5 3HG2 THR 5 -6.173 -11.507 3.403 25 HG22 THR 5 1HG2 THR 5 -4.516 -12.063 3.044 26 HG23 THR 5 2HG2 THR 5 -5.475 -11.260 1.779 27 H GLU 6 H GLU 6 -2.381 -11.406 4.019 28 HA GLU 6 HA GLU 6 -0.171 -9.967 5.182 29 HB3 GLU 6 2HB GLU 6 1.067 -11.401 3.425 30 HG3 GLU 6 2HG GLU 6 -0.759 -12.711 5.502 31 H LEU 7 H LEU 7 1.145 -8.556 4.254 32 HA LEU 7 HA LEU 7 0.345 -7.096 1.825 33 HB3 LEU 7 2HB LEU 7 2.870 -6.848 3.480 34 HG LEU 7 HG LEU 7 2.783 -5.353 1.510 35 HD11 LEU 7 1HD1 LEU 7 1.149 -3.397 1.697 36 HD12 LEU 7 2HD1 LEU 7 0.237 -4.365 2.859 37 HD13 LEU 7 3HD1 LEU 7 0.446 -4.925 1.165 38 HD21 LEU 7 3HD2 LEU 7 3.922 -4.669 3.564 39 HD22 LEU 7 1HD2 LEU 7 2.399 -4.055 4.252 40 HD23 LEU 7 2HD2 LEU 7 3.133 -3.261 2.836 41 H ASN 8 H ASN 8 1.288 -7.523 -0.153 42 HA ASN 8 HA ASN 8 3.888 -8.902 -0.281 43 HB3 ASN 8 2HB ASN 8 2.568 -10.837 -0.500 44 HD21 ASN 8 1HD2 ASN 8 0.388 -10.978 0.018 45 HD22 ASN 8 2HD2 ASN 8 -0.905 -10.563 -1.067 46 H SER 9 H SER 9 4.611 -8.918 -2.611 47 HA SER 9 HA SER 9 4.556 -6.171 -3.541 48 HB3 SER 9 2HB SER 9 5.964 -8.620 -4.673 49 HG SER 9 HG SER 9 7.162 -6.122 -4.606 50 H ASN 10 H ASN 10 1.975 -7.235 -3.773 51 HA ASN 10 HA ASN 10 1.547 -7.200 -6.680 52 HB3 ASN 10 2HB ASN 10 -0.097 -9.319 -5.652 53 HD21 ASN 10 1HD2 ASN 10 3.100 -9.055 -7.312 54 HD22 ASN 10 2HD2 ASN 10 2.576 -9.878 -8.759 55 H ASN 11 H ASN 11 -0.063 -7.728 -3.479 56 HA ASN 11 HA ASN 11 -2.450 -6.381 -4.445 57 HB3 ASN 11 2HB ASN 11 -2.865 -7.923 -2.756 58 HD21 ASN 11 1HD2 ASN 11 -2.848 -8.781 -0.571 59 HD22 ASN 11 2HD2 ASN 11 -1.465 -8.534 0.461 60 H ILE 12 H ILE 12 0.514 -5.228 -2.851 61 HA ILE 12 HA ILE 12 -0.435 -2.691 -2.105 62 HB ILE 12 HB ILE 12 1.559 -3.784 -1.308 63 HG13 ILE 12 2HG1 ILE 12 1.838 -0.972 -2.369 64 HG21 ILE 12 1HG2 ILE 12 3.031 -2.969 -3.836 65 HG22 ILE 12 2HG2 ILE 12 3.639 -3.931 -2.488 66 HG23 ILE 12 3HG2 ILE 12 2.429 -4.624 -3.578 67 HD11 ILE 12 3HD1 ILE 12 1.398 -0.332 -0.244 68 HD12 ILE 12 1HD1 ILE 12 0.670 -1.953 -0.098 69 HD13 ILE 12 2HD1 ILE 12 2.320 -1.677 0.470 70 H ILE 13 H ILE 13 0.324 -3.862 -5.289 71 HA ILE 13 HA ILE 13 1.379 -1.542 -6.461 72 HB ILE 13 HB ILE 13 -0.201 -3.798 -7.764 73 HG13 ILE 13 2HG1 ILE 13 1.943 -4.974 -8.101 74 HG21 ILE 13 1HG2 ILE 13 1.236 -3.345 -9.756 75 HG22 ILE 13 2HG2 ILE 13 0.238 -1.938 -9.316 76 HG23 ILE 13 3HG2 ILE 13 1.952 -1.958 -8.920 77 HD11 ILE 13 3HD1 ILE 13 3.886 -4.488 -6.761 78 HD12 ILE 13 1HD1 ILE 13 3.509 -3.027 -7.708 79 HD13 ILE 13 2HD1 ILE 13 3.104 -3.088 -6.005 80 H GLY 14 H GLY 14 0.554 0.241 -7.264 81 HA2 GLY 14 1HA GLY 14 -1.164 1.095 -8.804 82 HA3 GLY 14 2HA GLY 14 -2.388 0.560 -7.645 83 H TYR 15 H TYR 15 -2.793 2.989 -8.122 84 HA TYR 15 HA TYR 15 -1.233 4.936 -6.588 85 HB3 TYR 15 2HB TYR 15 -3.395 6.257 -6.991 86 HD1 TYR 15 2HD TYR 15 -1.052 4.485 -9.372 87 HD2 TYR 15 1HD TYR 15 -3.352 8.019 -8.404 88 HE1 TYR 15 2HE TYR 15 0.021 5.705 -11.245 89 HE2 TYR 15 1HE TYR 15 -2.189 9.245 -10.182 90 HH TYR 15 HH TYR 15 -1.045 9.003 -12.149 91 H TRP 16 H TRP 16 -2.097 6.076 -4.717 92 HA TRP 16 HA TRP 16 -4.345 4.778 -3.298 93 HB3 TRP 16 2HB TRP 16 -2.967 4.751 -1.214 94 HD1 TRP 16 HD TRP 16 -0.285 3.295 -3.309 95 HE1 TRP 16 1HE TRP 16 -0.408 0.740 -3.375 96 HE3 TRP 16 3HE TRP 16 -4.970 2.665 -1.311 97 HZ2 TRP 16 2HZ TRP 16 -2.221 -1.320 -2.524 98 HZ3 TRP 16 3HZ TRP 16 -5.810 0.325 -0.900 99 HH2 TRP 16 HH TRP 16 -4.505 -1.578 -1.452 100 H SER 17 H SER 17 -5.735 6.499 -3.046 101 HA SER 17 HA SER 17 -4.586 9.181 -2.301 102 HB3 SER 17 2HB SER 17 -7.123 8.474 -3.826 103 HG SER 17 HG SER 17 -7.246 10.739 -4.120 104 H THR 18 H THR 18 -5.721 10.334 -0.661 105 HA THR 18 HA THR 18 -7.515 8.661 1.049 106 HB THR 18 HB THR 18 -5.329 9.348 1.986 107 HG1 THR 18 1HG THR 18 -6.831 8.846 3.405 108 HG21 THR 18 3HG2 THR 18 -4.952 11.612 2.760 109 HG22 THR 18 1HG2 THR 18 -6.481 12.166 2.056 110 HG23 THR 18 2HG2 THR 18 -5.158 11.621 0.996 111 H GLY 19 H GLY 19 -7.514 11.485 -1.053 112 HA2 GLY 19 1HA GLY 19 -10.178 12.002 -1.150 113 HA3 GLY 19 2HA GLY 19 -9.594 12.914 0.265 114 H ILE 20 H ILE 20 -10.435 14.578 -1.613 115 HA ILE 20 HA ILE 20 -7.982 15.527 -2.981 116 HB ILE 20 HB ILE 20 -9.227 16.141 -4.946 117 HG13 ILE 20 2HG1 ILE 20 -11.511 16.262 -3.784 118 HG21 ILE 20 1HG2 ILE 20 -9.553 13.171 -4.392 119 HG22 ILE 20 2HG2 ILE 20 -9.321 13.959 -5.966 120 HG23 ILE 20 3HG2 ILE 20 -8.012 13.961 -4.781 121 HD11 ILE 20 3HD1 ILE 20 -12.775 15.726 -5.747 122 HD12 ILE 20 1HD1 ILE 20 -11.235 16.428 -6.274 123 HD13 ILE 20 2HD1 ILE 20 -11.494 14.665 -6.361 124 H GLU 21 H GLU 21 -9.783 16.341 -0.486 125 HA GLU 21 HA GLU 21 -10.216 19.201 -1.306 126 HB3 GLU 21 2HB GLU 21 -11.687 19.346 0.642 127 HG3 GLU 21 2HG GLU 21 -12.337 17.430 -1.499 128 H GLY 22 H GLY 22 -9.708 20.778 0.334 129 HA2 GLY 22 1HA GLY 22 -8.565 21.799 1.986 130 HA3 GLY 22 2HA GLY 22 -9.105 20.387 2.845 131 H THR 23 H THR 23 -7.377 18.675 3.245 132 HA THR 23 HA THR 23 -4.777 19.184 2.015 133 HB THR 23 HB THR 23 -4.748 18.318 4.911 134 HG1 THR 23 1HG THR 23 -3.921 20.489 5.307 135 HG21 THR 23 3HG2 THR 23 -2.803 17.922 3.347 136 HG22 THR 23 1HG2 THR 23 -2.404 18.922 4.733 137 HG23 THR 23 2HG2 THR 23 -2.664 19.679 3.141 138 H HIS 24 H HIS 24 -4.253 17.273 0.956 139 HA HIS 24 HA HIS 24 -4.994 14.708 2.180 140 HB3 HIS 24 2HB HIS 24 -6.889 15.074 0.791 141 HD1 HIS 24 1HD HIS 24 -6.921 17.601 -0.134 142 HD2 HIS 24 2HD HIS 24 -5.003 14.702 -2.470 143 HE1 HIS 24 1HE HIS 24 -6.540 18.676 -2.403 144 H LYS 25 H LYS 25 -4.050 12.961 0.469 145 HA LYS 25 HA LYS 25 -1.331 13.725 -0.310 146 HB3 LYS 25 2HB LYS 25 -0.353 11.951 1.045 147 HG3 LYS 25 2HG LYS 25 -2.069 13.698 2.859 148 HD3 LYS 25 2HD LYS 25 0.730 12.742 3.490 149 HE3 LYS 25 2HE LYS 25 -1.682 13.845 4.946 150 HZ1 LYS 25 3HZ LYS 25 -0.890 13.103 6.979 151 HZ2 LYS 25 1HZ LYS 25 0.512 12.492 6.343 152 HZ3 LYS 25 2HZ LYS 25 -0.991 11.794 6.040 153 H LEU 26 H LEU 26 -0.608 12.471 -1.939 154 HA LEU 26 HA LEU 26 -2.259 10.175 -2.899 155 HB3 LEU 26 2HB LEU 26 -0.233 11.425 -4.699 156 HG LEU 26 HG LEU 26 -1.889 11.392 -6.376 157 HD11 LEU 26 1HD1 LEU 26 -2.434 8.880 -4.800 158 HD12 LEU 26 2HD1 LEU 26 -0.958 9.213 -5.746 159 HD13 LEU 26 3HD1 LEU 26 -2.547 9.131 -6.549 160 HD21 LEU 26 3HD2 LEU 26 -3.977 10.902 -4.211 161 HD22 LEU 26 1HD2 LEU 26 -4.279 10.901 -5.964 162 HD23 LEU 26 2HD2 LEU 26 -3.753 12.382 -5.166 163 H LEU 27 H LEU 27 -1.137 8.208 -3.385 164 HA LEU 27 HA LEU 27 1.765 8.349 -3.550 165 HB3 LEU 27 2HB LEU 27 1.715 5.902 -2.555 166 HG LEU 27 HG LEU 27 2.390 8.354 -1.363 167 HD11 LEU 27 1HD1 LEU 27 0.279 8.095 -0.020 168 HD12 LEU 27 2HD1 LEU 27 1.749 8.074 0.976 169 HD13 LEU 27 3HD1 LEU 27 0.929 6.547 0.572 170 HD21 LEU 27 3HD2 LEU 27 2.968 5.584 -0.245 171 HD22 LEU 27 1HD2 LEU 27 3.896 7.082 0.010 172 HD23 LEU 27 2HD2 LEU 27 3.855 6.331 -1.580 173 H SER 28 H SER 28 2.645 6.332 -4.591 174 HA SER 28 HA SER 28 0.797 4.752 -6.214 175 HB3 SER 28 2HB SER 28 2.837 6.690 -7.305 176 HG SER 28 HG SER 28 1.844 4.424 -8.728 177 H PHE 29 H PHE 29 1.783 2.805 -6.919 178 HA PHE 29 HA PHE 29 4.477 1.982 -5.985 179 HB3 PHE 29 2HB PHE 29 3.322 -0.147 -5.188 180 HD1 PHE 29 2HD PHE 29 1.649 2.976 -3.901 181 HD2 PHE 29 1HD PHE 29 4.478 -0.162 -3.156 182 HE1 PHE 29 2HE PHE 29 2.167 4.004 -1.720 183 HE2 PHE 29 1HE PHE 29 4.842 0.750 -0.862 184 HZ PHE 29 HZ PHE 29 3.813 2.904 -0.206 185 H ASP 30 H ASP 30 5.380 1.323 -7.950 186 HA ASP 30 HA ASP 30 3.724 -0.042 -10.016 187 HB3 ASP 30 2HB ASP 30 6.272 -0.345 -10.865 188 H GLU 31 H GLU 31 4.500 -2.163 -10.748 189 HA GLU 31 HA GLU 31 5.344 -3.873 -8.500 190 HB3 GLU 31 2HB GLU 31 3.394 -4.474 -9.815 191 HG3 GLU 31 2HG GLU 31 5.268 -4.805 -12.180 192 H ASP 32 H ASP 32 6.672 -2.523 -11.422 193 HA ASP 32 HA ASP 32 9.183 -4.075 -11.033 194 HB3 ASP 32 2HB ASP 32 8.161 -3.293 -13.723 195 H GLY 33 H GLY 33 8.180 -1.243 -10.375 196 HA2 GLY 33 1HA GLY 33 10.376 0.373 -11.594 197 HA3 GLY 33 2HA GLY 33 8.714 0.985 -11.469 198 H THR 34 H THR 34 8.694 2.480 -9.787 199 HA THR 34 HA THR 34 9.599 1.640 -7.126 200 HB THR 34 HB THR 34 10.358 4.082 -6.849 201 HG1 THR 34 1HG THR 34 10.867 5.211 -8.643 202 HG21 THR 34 3HG2 THR 34 11.886 2.108 -7.033 203 HG22 THR 34 1HG2 THR 34 12.604 3.618 -7.623 204 HG23 THR 34 2HG2 THR 34 12.017 2.374 -8.757 205 H GLY 35 H GLY 35 8.603 4.018 -5.808 206 HA2 GLY 35 1HA GLY 35 5.803 4.260 -6.780 207 HA3 GLY 35 2HA GLY 35 6.143 3.955 -5.086 208 H SER 36 H SER 36 4.828 5.973 -4.939 209 HA SER 36 HA SER 36 6.648 8.329 -5.194 210 HB3 SER 36 2HB SER 36 5.349 9.509 -6.750 211 HG SER 36 HG SER 36 6.390 7.776 -7.811 212 H PHE 37 H PHE 37 5.909 10.198 -4.024 213 HA PHE 37 HA PHE 37 3.383 9.923 -2.497 214 HB3 PHE 37 2HB PHE 37 6.101 10.652 -1.388 215 HD1 PHE 37 2HD PHE 37 2.480 10.187 -0.322 216 HD2 PHE 37 1HD PHE 37 6.292 12.028 0.483 217 HE1 PHE 37 2HE PHE 37 1.546 11.258 1.669 218 HE2 PHE 37 1HE PHE 37 5.332 13.098 2.504 219 HZ PHE 37 HZ PHE 37 2.960 12.780 3.061 220 H GLY 38 H GLY 38 2.190 11.807 -2.604 221 HA2 GLY 38 1HA GLY 38 3.697 14.357 -2.784 222 HA3 GLY 38 2HA GLY 38 2.377 14.078 -3.926 223 H ILE 39 H ILE 39 2.390 16.198 -2.027 224 HA ILE 39 HA ILE 39 0.105 15.482 -0.256 225 HB ILE 39 HB ILE 39 2.387 17.370 0.484 226 HG13 ILE 39 2HG1 ILE 39 3.100 14.997 0.662 227 HG21 ILE 39 1HG2 ILE 39 -0.068 16.519 2.091 228 HG22 ILE 39 2HG2 ILE 39 1.220 17.612 2.648 229 HG23 ILE 39 3HG2 ILE 39 0.175 18.104 1.337 230 HD11 ILE 39 3HD1 ILE 39 2.627 16.098 3.450 231 HD12 ILE 39 1HD1 ILE 39 3.875 14.972 2.926 232 HD13 ILE 39 2HD1 ILE 39 3.925 16.637 2.353 233 H TYR 40 H TYR 40 -1.576 16.914 -0.566 234 HA TYR 40 HA TYR 40 -1.057 19.339 -2.213 235 HB3 TYR 40 2HB TYR 40 -3.304 18.789 -3.271 236 HD1 TYR 40 1HD TYR 40 -0.876 15.890 -3.176 237 HD2 TYR 40 2HD TYR 40 -2.596 19.086 -5.503 238 HE1 TYR 40 1HE TYR 40 0.258 15.018 -5.143 239 HE2 TYR 40 2HE TYR 40 -1.416 18.246 -7.509 240 HH TYR 40 HH TYR 40 -0.237 15.396 -7.965 241 H SER 41 H SER 41 -1.904 21.080 -1.442 242 HA SER 41 HA SER 41 -3.769 21.116 0.868 243 HB3 SER 41 2HB SER 41 -3.277 23.642 0.535 244 HG SER 41 HG SER 41 -1.603 23.582 1.821 245 H ASN 42 H ASN 42 -5.724 20.846 -0.037 246 HA ASN 42 HA ASN 42 -7.616 21.122 -1.208 247 HB3 ASN 42 2HB ASN 42 -6.553 23.907 -1.844 248 HD21 ASN 42 1HD2 ASN 42 -9.377 23.259 0.117 249 HD22 ASN 42 2HD2 ASN 42 -10.556 23.309 -1.158 250 H ALA 43 H ALA 43 -5.591 23.059 -3.253 251 HA ALA 43 HA ALA 43 -5.579 21.051 -5.372 252 HB1 ALA 43 1HB ALA 43 -7.715 22.035 -5.913 253 HB2 ALA 43 2HB ALA 43 -7.094 23.670 -5.710 254 HB3 ALA 43 3HB ALA 43 -6.583 22.685 -7.111 255 H THR 44 H THR 44 -3.575 22.353 -3.710 256 HA THR 44 HA THR 44 -1.741 23.194 -5.871 257 HB THR 44 HB THR 44 -2.039 24.394 -3.088 258 HG1 THR 44 1HG THR 44 -2.484 25.397 -5.715 259 HG21 THR 44 3HG2 THR 44 -0.347 26.026 -3.826 260 HG22 THR 44 1HG2 THR 44 -0.153 25.164 -5.372 261 HG23 THR 44 2HG2 THR 44 0.336 24.393 -3.860 262 HA PRO 45 HA PRO 45 0.314 19.707 -3.710 263 HB3 PRO 45 2HB PRO 45 0.922 18.740 -5.670 264 HG3 PRO 45 2HG PRO 45 1.011 20.060 -7.638 265 HD3 PRO 45 2HD PRO 45 -0.915 21.038 -6.812 266 H ILE 46 H ILE 46 1.704 19.826 -2.049 267 HA ILE 46 HA ILE 46 3.592 22.114 -1.815 268 HB ILE 46 HB ILE 46 2.109 20.856 0.498 269 HG13 ILE 46 2HG1 ILE 46 0.531 22.654 0.563 270 HG21 ILE 46 1HG2 ILE 46 2.560 23.131 1.564 271 HG22 ILE 46 2HG2 ILE 46 3.991 22.154 1.286 272 HG23 ILE 46 3HG2 ILE 46 3.619 23.480 0.182 273 HD11 ILE 46 3HD1 ILE 46 1.665 23.631 -2.081 274 HD12 ILE 46 1HD1 ILE 46 0.092 24.101 -1.405 275 HD13 ILE 46 2HD1 ILE 46 1.582 24.524 -0.549 276 H SER 47 H SER 47 3.610 18.817 -2.285 277 HA SER 47 HA SER 47 6.377 18.800 -1.693 278 HB3 SER 47 2HB SER 47 4.574 17.237 0.158 279 HG SER 47 HG SER 47 5.906 15.599 -0.598 280 H PHE 48 H PHE 48 7.412 17.111 -2.671 281 HA PHE 48 HA PHE 48 5.954 14.963 -4.049 282 HB3 PHE 48 2HB PHE 48 7.663 17.016 -5.514 283 HD1 PHE 48 2HD PHE 48 5.553 13.919 -6.024 284 HD2 PHE 48 1HD PHE 48 8.862 16.309 -7.424 285 HE1 PHE 48 2HE PHE 48 6.017 12.252 -7.797 286 HE2 PHE 48 1HE PHE 48 9.297 14.654 -9.205 287 HZ PHE 48 HZ PHE 48 7.882 12.619 -9.404 288 H GLN 49 H GLN 49 7.212 13.087 -4.043 289 HA GLN 49 HA GLN 49 10.058 13.144 -4.310 290 HB3 GLN 49 2HB GLN 49 9.978 13.499 -1.864 291 HG3 GLN 49 2HG GLN 49 8.291 10.952 -1.789 292 HE21 GLN 49 1HE2 GLN 49 10.094 10.070 -0.381 293 HE22 GLN 49 2HE2 GLN 49 10.035 10.503 1.292 294 H MET 50 H MET 50 10.798 10.778 -4.605 295 HA MET 50 HA MET 50 8.644 8.787 -4.740 296 HB3 MET 50 2HB MET 50 9.425 7.980 -6.953 297 HG3 MET 50 2HG MET 50 8.769 10.923 -7.252 298 HE1 MET 50 3HE MET 50 9.839 10.668 -9.658 299 HE2 MET 50 1HE MET 50 10.210 8.946 -9.391 300 HE3 MET 50 2HE MET 50 9.312 9.446 -10.847 301 H PHE 51 H PHE 51 9.501 6.590 -4.574 302 HA PHE 51 HA PHE 51 12.280 6.192 -4.004 303 HB3 PHE 51 2HB PHE 51 11.844 7.284 -1.989 304 HD1 PHE 51 1HD PHE 51 9.801 8.612 -1.863 305 HD2 PHE 51 2HD PHE 51 9.930 4.493 -0.627 306 HE1 PHE 51 1HE PHE 51 7.840 9.000 -0.359 307 HE2 PHE 51 2HE PHE 51 8.018 4.927 0.923 308 HZ PHE 51 HZ PHE 51 6.936 7.138 0.990 309 H ASP 52 H ASP 52 12.722 3.945 -3.492 310 HA ASP 52 HA ASP 52 10.681 2.124 -4.681 311 HB3 ASP 52 2HB ASP 52 13.447 1.338 -3.658 312 H TYR 53 H TYR 53 10.474 -0.031 -3.535 313 HA TYR 53 HA TYR 53 10.863 0.018 -0.676 314 HB3 TYR 53 2HB TYR 53 8.749 -0.156 0.027 315 HD1 TYR 53 2HD TYR 53 7.596 0.346 -3.534 316 HD2 TYR 53 1HD TYR 53 7.913 2.050 0.403 317 HE1 TYR 53 2HE TYR 53 6.341 2.211 -4.267 318 HE2 TYR 53 1HE TYR 53 6.637 4.074 -0.409 319 HH TYR 53 HH TYR 53 4.865 3.796 -3.471 320 H LYS 54 H LYS 54 10.703 -2.285 0.132 321 HA LYS 54 HA LYS 54 9.955 -4.310 -1.924 322 HB3 LYS 54 2HB LYS 54 11.602 -5.887 -0.875 323 HG3 LYS 54 2HG LYS 54 13.765 -4.790 -1.583 324 HD3 LYS 54 2HD LYS 54 12.307 -6.121 -3.216 325 HE3 LYS 54 2HE LYS 54 11.802 -3.288 -4.264 326 HZ1 LYS 54 3HZ LYS 54 12.225 -4.750 -6.108 327 HZ2 LYS 54 1HZ LYS 54 10.625 -4.437 -6.048 328 HZ3 LYS 54 2HZ LYS 54 11.173 -5.885 -5.565 329 H ILE 55 H ILE 55 9.101 -6.313 -0.968 330 HA ILE 55 HA ILE 55 7.956 -5.934 1.744 331 HB ILE 55 HB ILE 55 6.683 -7.460 -0.555 332 HG13 ILE 55 2HG1 ILE 55 5.087 -5.792 -0.895 333 HG21 ILE 55 1HG2 ILE 55 5.969 -8.360 1.535 334 HG22 ILE 55 2HG2 ILE 55 5.810 -6.760 2.271 335 HG23 ILE 55 3HG2 ILE 55 4.665 -7.266 1.027 336 HD11 ILE 55 3HD1 ILE 55 5.105 -4.771 1.472 337 HD12 ILE 55 1HD1 ILE 55 6.538 -3.873 0.935 338 HD13 ILE 55 2HD1 ILE 55 4.973 -3.652 0.118 339 H GLU 56 H GLU 56 9.827 -6.951 2.606 340 HA GLU 56 HA GLU 56 10.349 -9.782 1.768 341 HB3 GLU 56 2HB GLU 56 12.264 -7.738 2.970 342 HG3 GLU 56 2HG GLU 56 12.816 -10.335 2.745 343 H GLU 57 H GLU 57 8.488 -8.762 3.743 344 HA GLU 57 HA GLU 57 9.003 -10.086 6.118 345 HB3 GLU 57 2HB GLU 57 9.105 -7.375 7.005 346 HG3 GLU 57 2HG GLU 57 11.538 -8.305 7.722 347 H GLY 58 H GLY 58 6.797 -9.307 4.140 348 HA2 GLY 58 1HA GLY 58 4.524 -8.933 4.242 349 HA3 GLY 58 2HA GLY 58 4.642 -9.305 5.959 350 H ARG 59 H ARG 59 6.608 -6.671 5.111 351 HA ARG 59 HA ARG 59 4.628 -4.545 5.670 352 HB3 ARG 59 2HB ARG 59 6.410 -3.595 7.283 353 HG3 ARG 59 2HG ARG 59 5.035 -6.210 8.060 354 HD3 ARG 59 2HD ARG 59 6.552 -4.182 9.737 355 HE ARG 59 HE ARG 59 4.308 -5.570 10.620 356 HH11 ARG 59 1HH1 ARG 59 7.776 -5.755 11.316 357 HH12 ARG 59 2HH1 ARG 59 7.547 -6.205 12.973 358 HH21 ARG 59 1HH2 ARG 59 4.027 -6.167 12.809 359 HH22 ARG 59 2HH2 ARG 59 5.435 -6.585 13.779 360 H ILE 60 H ILE 60 5.980 -2.359 5.313 361 HA ILE 60 HA ILE 60 7.203 -2.695 2.629 362 HB ILE 60 HB ILE 60 6.345 -0.274 4.252 363 HG13 ILE 60 2HG1 ILE 60 4.480 -1.661 3.485 364 HG21 ILE 60 1HG2 ILE 60 8.204 0.220 2.564 365 HG22 ILE 60 2HG2 ILE 60 7.041 -0.281 1.307 366 HG23 ILE 60 3HG2 ILE 60 6.714 1.121 2.344 367 HD11 ILE 60 3HD1 ILE 60 3.129 -0.090 2.313 368 HD12 ILE 60 1HD1 ILE 60 4.158 0.825 3.437 369 HD13 ILE 60 2HD1 ILE 60 4.536 0.783 1.693 370 H TYR 61 H TYR 61 9.391 -2.064 2.223 371 HA TYR 61 HA TYR 61 11.108 -1.236 4.512 372 HB3 TYR 61 2HB TYR 61 11.624 -3.333 2.366 373 HD1 TYR 61 2HD TYR 61 13.258 -2.040 5.500 374 HD2 TYR 61 1HD TYR 61 13.776 -3.204 1.360 375 HE1 TYR 61 2HE TYR 61 15.698 -1.703 5.717 376 HE2 TYR 61 1HE TYR 61 16.200 -2.874 1.576 377 HH TYR 61 HH TYR 61 17.931 -2.306 2.981 378 H ILE 62 H ILE 62 11.834 0.815 4.023 379 HA ILE 62 HA ILE 62 11.926 1.758 1.202 380 HB ILE 62 HB ILE 62 12.637 3.339 3.713 381 HG13 ILE 62 2HG1 ILE 62 10.369 4.316 3.736 382 HG21 ILE 62 1HG2 ILE 62 11.808 4.158 0.895 383 HG22 ILE 62 2HG2 ILE 62 11.863 5.278 2.276 384 HG23 ILE 62 3HG2 ILE 62 13.334 4.505 1.738 385 HD11 ILE 62 3HD1 ILE 62 9.560 1.888 2.089 386 HD12 ILE 62 1HD1 ILE 62 8.492 3.151 2.732 387 HD13 ILE 62 2HD1 ILE 62 9.650 3.514 1.438 388 H TYR 63 H TYR 63 14.004 2.380 0.297 389 HA TYR 63 HA TYR 63 16.336 2.427 2.026 390 HB3 TYR 63 2HB TYR 63 16.111 -0.010 1.633 391 HD1 TYR 63 1HD TYR 63 14.107 -0.347 -0.077 392 HD2 TYR 63 2HD TYR 63 18.224 0.248 -1.262 393 HE1 TYR 63 1HE TYR 63 13.622 -1.327 -2.287 394 HE2 TYR 63 2HE TYR 63 17.751 -0.851 -3.431 395 HH TYR 63 HH TYR 63 14.494 -1.500 -4.488 396 H ASP 64 H ASP 64 14.834 3.698 -0.737 397 HA ASP 64 HA ASP 64 17.250 4.832 -1.902 398 HB3 ASP 64 2HB ASP 64 15.441 2.739 -3.167 399 H VAL 65 H VAL 65 16.457 6.956 -1.849 400 HA VAL 65 HA VAL 65 13.774 7.515 -2.896 401 HB VAL 65 HB VAL 65 13.709 7.369 -0.346 402 HG11 VAL 65 1HG1 VAL 65 15.731 7.799 0.178 403 HG12 VAL 65 2HG1 VAL 65 15.244 9.564 0.169 404 HG13 VAL 65 3HG1 VAL 65 14.376 8.355 1.162 405 HG21 VAL 65 3HG2 VAL 65 13.537 10.359 -0.994 406 HG22 VAL 65 1HG2 VAL 65 12.286 9.341 -1.697 407 HG23 VAL 65 2HG2 VAL 65 12.450 9.442 0.068 408 H TYR 66 H TYR 66 13.475 9.579 -3.772 409 HA TYR 66 HA TYR 66 15.761 11.438 -3.669 410 HB3 TYR 66 2HB TYR 66 15.212 9.914 -5.972 411 HD1 TYR 66 1HD TYR 66 12.521 10.339 -6.195 412 HD2 TYR 66 2HD TYR 66 15.630 13.116 -7.312 413 HE1 TYR 66 1HE TYR 66 11.002 11.412 -7.838 414 HE2 TYR 66 2HE TYR 66 14.114 14.204 -8.897 415 HH TYR 66 HH TYR 66 11.868 12.708 -10.258 416 HA PRO 67 HA PRO 67 15.660 13.580 -5.194 417 HB3 PRO 67 2HB PRO 67 14.762 15.590 -5.540 418 HG3 PRO 67 2HG PRO 67 13.219 16.606 -3.996 419 HD3 PRO 67 2HD PRO 67 12.379 14.456 -4.608 420 H ASP 68 H ASP 68 15.056 13.581 -1.698 421 HA ASP 68 HA ASP 68 18.011 13.633 -1.232 422 HB3 ASP 68 2HB ASP 68 16.068 14.423 0.846 423 H GLU 69 H GLU 69 18.607 11.735 -0.819 424 HA GLU 69 HA GLU 69 17.139 9.422 -0.367 425 HB3 GLU 69 2HB GLU 69 19.383 8.473 0.268 426 HG3 GLU 69 2HG GLU 69 19.181 10.080 -2.319 427 H LYS 70 H LYS 70 16.226 8.642 1.488 428 HA LYS 70 HA LYS 70 17.208 9.691 4.127 429 HB3 LYS 70 2HB LYS 70 15.099 8.888 5.043 430 HG3 LYS 70 2HG LYS 70 13.886 10.340 2.821 431 HD3 LYS 70 2HD LYS 70 13.235 10.312 5.364 432 HE3 LYS 70 2HE LYS 70 15.722 11.062 5.885 433 HZ1 LYS 70 3HZ LYS 70 15.656 13.108 4.566 434 HZ2 LYS 70 1HZ LYS 70 15.836 13.464 6.160 435 HZ3 LYS 70 2HZ LYS 70 14.379 13.653 5.449 436 H THR 71 H THR 71 17.686 8.182 5.722 437 HA THR 71 HA THR 71 18.893 5.809 4.979 438 HB THR 71 HB THR 71 19.288 6.985 7.128 439 HG1 THR 71 1HG THR 71 18.660 4.241 7.494 440 HG21 THR 71 3HG2 THR 71 17.862 6.596 9.035 441 HG22 THR 71 1HG2 THR 71 16.804 5.542 8.073 442 HG23 THR 71 2HG2 THR 71 16.871 7.265 7.709 443 HA PRO 72 HA PRO 72 15.462 2.954 4.484 444 HB3 PRO 72 2HB PRO 72 16.862 1.252 3.682 445 HG3 PRO 72 2HG PRO 72 19.106 1.204 4.337 446 HD3 PRO 72 2HD PRO 72 18.659 3.471 3.694 447 H TYR 73 H TYR 73 14.045 1.661 5.644 448 HA TYR 73 HA TYR 73 14.331 0.730 8.259 449 HB3 TYR 73 2HB TYR 73 14.080 2.884 9.159 450 HD1 TYR 73 1HD TYR 73 10.735 2.822 7.488 451 HD2 TYR 73 2HD TYR 73 14.453 4.936 7.927 452 HE1 TYR 73 1HE TYR 73 9.749 4.858 6.429 453 HE2 TYR 73 2HE TYR 73 13.440 6.957 6.931 454 HH TYR 73 HH TYR 73 11.346 7.589 5.420 455 H TYR 74 H TYR 74 12.050 -0.096 8.973 456 HA TYR 74 HA TYR 74 10.542 -0.949 6.563 457 HB3 TYR 74 2HB TYR 74 9.519 -2.646 8.068 458 HD1 TYR 74 1HD TYR 74 13.168 -2.420 8.905 459 HD2 TYR 74 2HD TYR 74 10.164 -4.324 6.443 460 HE1 TYR 74 1HE TYR 74 14.885 -3.936 7.992 461 HE2 TYR 74 2HE TYR 74 11.909 -5.845 5.514 462 HH TYR 74 HH TYR 74 14.935 -5.467 5.413 463 H LEU 75 H LEU 75 8.182 -0.820 6.710 464 HA LEU 75 HA LEU 75 7.144 1.193 8.638 465 HB3 LEU 75 2HB LEU 75 5.704 2.059 6.692 466 HG LEU 75 HG LEU 75 8.683 2.654 6.479 467 HD11 LEU 75 1HD1 LEU 75 7.077 3.240 4.509 468 HD12 LEU 75 2HD1 LEU 75 8.082 4.540 5.145 469 HD13 LEU 75 3HD1 LEU 75 6.396 4.435 5.629 470 HD21 LEU 75 3HD2 LEU 75 6.417 3.957 8.056 471 HD22 LEU 75 1HD2 LEU 75 7.954 4.772 7.760 472 HD23 LEU 75 2HD2 LEU 75 7.931 3.280 8.712 473 H ASP 76 H ASP 76 5.298 0.697 9.456 474 HA ASP 76 HA ASP 76 4.212 -1.937 8.958 475 HB3 ASP 76 2HB ASP 76 3.130 -1.593 11.117 476 H CYS 77 H CYS 77 2.306 -2.299 7.921 477 HA CYS 77 HA CYS 77 0.113 -0.410 7.943 478 HB3 CYS 77 2HB CYS 77 1.221 0.589 6.077 479 HG CYS 77 HG CYS 77 1.845 -2.558 5.333 480 H LYS 78 H LYS 78 -1.721 -1.322 6.843 481 HA LYS 78 HA LYS 78 -1.558 -4.236 6.256 482 HB3 LYS 78 2HB LYS 78 -3.880 -4.430 7.066 483 HG3 LYS 78 2HG LYS 78 -1.651 -4.551 8.571 484 HD3 LYS 78 2HD LYS 78 -2.238 -2.067 9.415 485 HE3 LYS 78 2HE LYS 78 -4.349 -3.875 10.558 486 HZ1 LYS 78 3HZ LYS 78 -3.055 -1.815 12.255 487 HZ2 LYS 78 1HZ LYS 78 -2.906 -3.397 12.417 488 HZ3 LYS 78 2HZ LYS 78 -4.385 -2.753 12.646 489 H ILE 79 H ILE 79 -3.216 -5.065 4.774 490 HA ILE 79 HA ILE 79 -4.520 -3.114 3.032 491 HB ILE 79 HB ILE 79 -2.124 -3.573 2.248 492 HG13 ILE 79 2HG1 ILE 79 -3.778 -2.574 0.821 493 HG21 ILE 79 1HG2 ILE 79 -3.234 -6.306 1.473 494 HG22 ILE 79 2HG2 ILE 79 -1.611 -5.683 1.174 495 HG23 ILE 79 3HG2 ILE 79 -2.115 -6.017 2.820 496 HD11 ILE 79 3HD1 ILE 79 -1.540 -3.258 -0.119 497 HD12 ILE 79 1HD1 ILE 79 -2.318 -4.717 -0.744 498 HD13 ILE 79 2HD1 ILE 79 -2.851 -3.139 -1.314 499 H SER 80 H SER 80 -6.332 -4.075 2.022 500 HA SER 80 HA SER 80 -6.331 -6.984 1.895 501 HB3 SER 80 2HB SER 80 -8.782 -5.776 3.158 502 HG SER 80 HG SER 80 -9.035 -7.732 2.108 503 H GLY 81 H GLY 81 -6.413 -4.513 0.052 504 HA2 GLY 81 1HA GLY 81 -7.068 -5.527 -2.246 505 HA3 GLY 81 2HA GLY 81 -8.721 -5.272 -1.660 506 H THR 82 H THR 82 -9.599 -3.164 -1.681 507 HA THR 82 HA THR 82 -7.936 -1.147 -2.964 508 HB THR 82 HB THR 82 -10.142 0.098 -2.994 509 HG1 THR 82 1HG THR 82 -11.870 -0.852 -2.278 510 HG21 THR 82 3HG2 THR 82 -10.978 -1.127 -4.879 511 HG22 THR 82 1HG2 THR 82 -10.203 -2.634 -4.342 512 HG23 THR 82 2HG2 THR 82 -9.214 -1.273 -4.901 513 H THR 83 H THR 83 -8.794 -2.026 0.244 514 HA THR 83 HA THR 83 -8.444 0.680 1.320 515 HB THR 83 HB THR 83 -8.647 -1.960 2.807 516 HG1 THR 83 1HG THR 83 -10.922 -0.412 2.124 517 HG21 THR 83 3HG2 THR 83 -9.587 0.846 3.594 518 HG22 THR 83 1HG2 THR 83 -8.134 0.039 4.213 519 HG23 THR 83 2HG2 THR 83 -9.720 -0.626 4.591 520 H LEU 84 H LEU 84 -6.485 1.433 1.722 521 HA LEU 84 HA LEU 84 -4.323 -0.383 2.690 522 HB3 LEU 84 2HB LEU 84 -4.213 2.199 1.167 523 HG LEU 84 HG LEU 84 -2.687 2.602 3.033 524 HD11 LEU 84 1HD1 LEU 84 -0.531 0.880 2.799 525 HD12 LEU 84 2HD1 LEU 84 -1.906 -0.226 2.676 526 HD13 LEU 84 3HD1 LEU 84 -1.741 0.834 4.077 527 HD21 LEU 84 3HD2 LEU 84 -0.691 3.063 1.760 528 HD22 LEU 84 1HD2 LEU 84 -2.102 3.397 0.766 529 HD23 LEU 84 2HD2 LEU 84 -1.139 1.941 0.485 530 H LYS 85 H LYS 85 -3.975 -0.184 4.749 531 HA LYS 85 HA LYS 85 -4.675 2.286 6.279 532 HB3 LYS 85 2HB LYS 85 -4.604 -0.624 7.217 533 HG3 LYS 85 2HG LYS 85 -5.149 2.078 8.504 534 HD3 LYS 85 2HD LYS 85 -5.942 0.163 10.380 535 HE3 LYS 85 2HE LYS 85 -6.684 2.569 10.063 536 HZ1 LYS 85 3HZ LYS 85 -8.753 1.347 8.330 537 HZ2 LYS 85 1HZ LYS 85 -7.569 2.307 7.737 538 HZ3 LYS 85 2HZ LYS 85 -8.676 2.913 8.796 539 H VAL 86 H VAL 86 -2.670 3.362 6.291 540 HA VAL 86 HA VAL 86 -0.204 1.823 6.847 541 HB VAL 86 HB VAL 86 -0.535 4.814 6.432 542 HG11 VAL 86 1HG1 VAL 86 1.920 2.997 6.272 543 HG12 VAL 86 2HG1 VAL 86 1.889 4.759 6.045 544 HG13 VAL 86 3HG1 VAL 86 1.532 4.077 7.619 545 HG21 VAL 86 3HG2 VAL 86 0.392 4.465 4.156 546 HG22 VAL 86 1HG2 VAL 86 0.223 2.715 4.362 547 HG23 VAL 86 2HG2 VAL 86 -1.217 3.771 4.347 548 H GLU 87 H GLU 87 0.737 1.794 8.907 549 HA GLU 87 HA GLU 87 -0.854 3.145 11.009 550 HB3 GLU 87 2HB GLU 87 0.141 1.585 12.538 551 HG3 GLU 87 2HG GLU 87 -0.534 -0.197 10.196 552 H THR 88 H THR 88 2.446 3.133 9.617 553 HA THR 88 HA THR 88 3.116 5.469 11.307 554 HB THR 88 HB THR 88 3.793 3.457 12.506 555 HG1 THR 88 1HG THR 88 6.158 4.638 11.544 556 HG21 THR 88 3HG2 THR 88 5.713 2.884 10.236 557 HG22 THR 88 1HG2 THR 88 4.180 2.033 10.481 558 HG23 THR 88 2HG2 THR 88 5.442 1.941 11.722 559 H GLY 89 H GLY 89 5.221 6.461 10.583 560 HA2 GLY 89 1HA GLY 89 6.842 6.923 8.900 561 HA3 GLY 89 2HA GLY 89 5.799 6.141 7.684 562 H SER 90 H SER 90 6.578 8.660 7.026 563 HA SER 90 HA SER 90 4.846 10.721 7.874 564 HB3 SER 90 2HB SER 90 5.533 11.643 5.664 565 HG SER 90 HG SER 90 7.837 11.590 6.252 566 H GLU 91 H GLU 91 4.322 7.963 5.771 567 HA GLU 91 HA GLU 91 2.000 9.158 4.513 568 HB3 GLU 91 2HB GLU 91 1.638 7.040 3.380 569 HG3 GLU 91 2HG GLU 91 3.597 8.191 2.447 570 H ALA 92 H ALA 92 2.305 7.989 7.447 571 HA ALA 92 HA ALA 92 0.438 6.080 8.073 572 HB1 ALA 92 1HB ALA 92 0.325 7.013 10.351 573 HB2 ALA 92 2HB ALA 92 1.982 6.963 9.729 574 HB3 ALA 92 3HB ALA 92 1.092 8.503 9.756 575 H GLY 93 H GLY 93 -1.565 5.894 7.402 576 HA2 GLY 93 1HA GLY 93 -3.690 7.798 7.688 577 HA3 GLY 93 2HA GLY 93 -2.798 8.025 6.169 578 H THR 94 H THR 94 -5.025 7.559 5.402 579 HA THR 94 HA THR 94 -5.886 4.724 5.427 580 HB THR 94 HB THR 94 -8.166 5.793 5.940 581 HG1 THR 94 1HG THR 94 -8.201 7.865 5.981 582 HG21 THR 94 3HG2 THR 94 -6.808 4.618 7.690 583 HG22 THR 94 1HG2 THR 94 -7.776 5.955 8.344 584 HG23 THR 94 2HG2 THR 94 -6.041 6.161 8.104 585 H TYR 95 H TYR 95 -5.837 4.172 3.249 586 HA TYR 95 HA TYR 95 -6.521 6.332 1.292 587 HB3 TYR 95 2HB TYR 95 -4.761 5.353 -0.132 588 HD1 TYR 95 2HD TYR 95 -3.310 4.942 3.256 589 HD2 TYR 95 1HD TYR 95 -3.903 7.674 -0.044 590 HE1 TYR 95 2HE TYR 95 -1.728 6.501 4.263 591 HE2 TYR 95 1HE TYR 95 -2.329 9.260 0.987 592 HH TYR 95 HH TYR 95 -0.675 8.488 4.081 593 H LYS 96 H LYS 96 -6.932 5.590 -0.851 594 HA LYS 96 HA LYS 96 -8.593 3.135 -1.128 595 HB3 LYS 96 2HB LYS 96 -9.872 4.498 -2.761 596 HG3 LYS 96 2HG LYS 96 -10.949 6.185 -1.314 597 HD3 LYS 96 2HD LYS 96 -10.485 3.650 0.277 598 HE3 LYS 96 2HE LYS 96 -11.784 5.558 1.338 599 HZ1 LYS 96 3HZ LYS 96 -13.646 4.982 -0.899 600 HZ2 LYS 96 1HZ LYS 96 -13.022 6.445 -0.515 601 HZ3 LYS 96 2HZ LYS 96 -14.095 5.753 0.488 602 H LYS 97 H LYS 97 -7.822 1.833 -2.700 603 HA LYS 97 HA LYS 97 -5.592 2.287 -4.400 604 HB3 LYS 97 2HB LYS 97 -7.976 0.438 -4.536 605 HG3 LYS 97 2HG LYS 97 -5.551 0.426 -6.301 606 HD3 LYS 97 2HD LYS 97 -6.237 -2.067 -6.652 607 HE3 LYS 97 2HE LYS 97 -4.596 -1.572 -4.154 608 HZ1 LYS 97 3HZ LYS 97 -4.861 -3.921 -4.905 609 HZ2 LYS 97 1HZ LYS 97 -3.334 -3.391 -5.023 610 HZ3 LYS 97 2HZ LYS 97 -4.227 -3.511 -6.379 611 H GLN 98 H GLN 98 -5.469 3.373 -6.401 612 HA GLN 98 HA GLN 98 -7.953 3.713 -7.944 613 HB3 GLN 98 2HB GLN 98 -7.823 5.651 -6.552 614 HG3 GLN 98 2HG GLN 98 -5.398 6.529 -8.036 615 HE21 GLN 98 1HE2 GLN 98 -8.286 7.490 -6.174 616 HE22 GLN 98 2HE2 GLN 98 -7.824 9.176 -6.099 617 H LYS 99 H LYS 99 -6.046 1.954 -8.546 618 HA LYS 99 HA LYS 99 -4.458 2.889 -10.863 619 HB3 LYS 99 2HB LYS 99 -5.155 0.030 -10.861 620 HG3 LYS 99 2HG LYS 99 -2.598 -0.072 -10.201 621 HD3 LYS 99 2HD LYS 99 -3.458 0.898 -12.948 622 HE3 LYS 99 2HE LYS 99 -0.839 0.546 -11.642 623 HZ1 LYS 99 3HZ LYS 99 -0.947 -1.565 -12.919 624 HZ2 LYS 99 1HZ LYS 99 0.286 -0.547 -13.230 625 HZ3 LYS 99 2HZ LYS 99 -0.911 -0.645 -14.324
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