NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
563056 | 2m7b | 19179 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 16 H SER 16 2.411 -1.630 0.536 2 HA SER 16 HA SER 16 2.572 0.466 -1.479 3 HB2 SER 16 HB2 SER 16 4.758 -0.085 -0.105 4 HB3 SER 16 HB3 SER 16 4.817 -1.531 -1.093 5 HG SER 16 HG SER 16 4.331 0.554 -2.755 6 H GLU 17 H GLU 17 2.100 -0.223 -3.587 7 HA GLU 17 HA GLU 17 1.332 -3.016 -3.770 8 HB2 GLU 17 HB2 GLU 17 -0.074 -2.342 -5.647 9 HB3 GLU 17 HB3 GLU 17 -0.383 -1.275 -4.292 10 HG2 GLU 17 HG2 GLU 17 -0.130 0.314 -5.968 11 HG3 GLU 17 HG3 GLU 17 1.534 0.208 -5.427 12 HE2 GLU 17 HE2 GLU 17 0.113 -0.997 -8.854 13 H ALA 18 H ALA 18 3.718 -0.694 -4.806 14 HA ALA 18 HA ALA 18 4.435 -1.642 -7.289 15 HB1 ALA 18 HB1 ALA 18 6.828 -0.915 -6.197 16 HB2 ALA 18 HB2 ALA 18 5.614 0.244 -6.791 17 HB3 ALA 18 HB3 ALA 18 5.701 -0.143 -5.056 18 H VAL 19 H VAL 19 5.064 -2.952 -4.020 19 HA VAL 19 HA VAL 19 7.025 -4.806 -4.831 20 HB VAL 19 HB VAL 19 6.587 -5.830 -2.656 21 HG11 VAL 19 HG11 VAL 19 6.564 -2.800 -2.464 22 HG12 VAL 19 HG12 VAL 19 7.215 -3.949 -1.270 23 HG13 VAL 19 HG13 VAL 19 7.994 -3.782 -2.862 24 HG21 VAL 19 HG21 VAL 19 4.157 -4.035 -2.691 25 HG22 VAL 19 HG22 VAL 19 4.254 -5.784 -2.373 26 HG23 VAL 19 HG23 VAL 19 4.864 -4.624 -1.168 27 H TYR 20 H TYR 20 3.473 -5.156 -4.135 28 HA TYR 20 HA TYR 20 3.225 -7.807 -4.776 29 HB2 TYR 20 HB2 TYR 20 1.583 -5.265 -4.840 30 HB3 TYR 20 HB3 TYR 20 0.891 -6.622 -5.705 31 HD1 TYR 20 HD2 TYR 20 2.946 -7.446 -2.824 32 HD2 TYR 20 HD1 TYR 20 -1.024 -6.476 -4.089 33 HE1 TYR 20 HE2 TYR 20 2.018 -8.367 -0.643 34 HE2 TYR 20 HE1 TYR 20 -1.938 -7.400 -1.905 35 HH TYR 20 HH TYR 20 0.076 -9.176 0.284 36 H ILE 21 H ILE 21 3.510 -4.973 -6.939 37 HA ILE 21 HA ILE 21 2.734 -6.440 -9.260 38 HB ILE 21 HB ILE 21 3.421 -3.715 -8.533 39 HG12 ILE 21 HG12 ILE 21 1.373 -5.146 -9.847 40 HG13 ILE 21 HG13 ILE 21 1.417 -3.440 -9.446 41 HG21 ILE 21 HG21 ILE 21 4.213 -3.089 -10.835 42 HG22 ILE 21 HG22 ILE 21 5.399 -3.959 -9.833 43 HG23 ILE 21 HG23 ILE 21 4.525 -4.817 -11.125 44 HD11 ILE 21 HD11 ILE 21 2.736 -4.560 -11.954 45 HD12 ILE 21 HD12 ILE 21 1.053 -3.983 -11.920 46 HD13 ILE 21 HD13 ILE 21 2.387 -2.856 -11.577 47 H ALA 22 H ALA 22 5.848 -5.359 -7.774 48 HA ALA 22 HA ALA 22 7.514 -6.285 -9.787 49 HB1 ALA 22 HB1 ALA 22 8.118 -4.786 -7.867 50 HB2 ALA 22 HB2 ALA 22 8.050 -6.202 -6.791 51 HB3 ALA 22 HB3 ALA 22 9.257 -6.134 -8.098 52 H ILE 23 H ILE 23 5.853 -7.964 -7.104 53 HA ILE 23 HA ILE 23 7.300 -10.407 -7.647 54 HB ILE 23 HB ILE 23 6.410 -11.217 -5.701 55 HG12 ILE 23 HG12 ILE 23 4.113 -9.246 -5.770 56 HG13 ILE 23 HG13 ILE 23 4.022 -10.846 -6.479 57 HG21 ILE 23 HG21 ILE 23 7.431 -8.627 -5.659 58 HG22 ILE 23 HG22 ILE 23 6.001 -8.558 -4.600 59 HG23 ILE 23 HG23 ILE 23 7.288 -9.747 -4.282 60 HD11 ILE 23 HD11 ILE 23 4.745 -11.783 -4.202 61 HD12 ILE 23 HD12 ILE 23 4.500 -10.144 -3.553 62 HD13 ILE 23 HD13 ILE 23 3.129 -11.039 -4.252 63 H GLU 24 H GLU 24 4.169 -8.852 -8.338 64 HA GLU 24 HA GLU 24 3.006 -11.248 -9.295 65 HB2 GLU 24 HB2 GLU 24 2.248 -8.315 -9.372 66 HB3 GLU 24 HB3 GLU 24 1.334 -9.482 -10.307 67 HG2 GLU 24 HG2 GLU 24 1.894 -10.010 -7.373 68 HG3 GLU 24 HG3 GLU 24 0.595 -8.926 -7.830 69 HE2 GLU 24 HE2 GLU 24 0.560 -12.370 -9.677 70 H ALA 25 H ALA 25 5.455 -9.238 -10.482 71 HA ALA 25 HA ALA 25 4.729 -9.190 -13.230 72 HB1 ALA 25 HB1 ALA 25 7.239 -8.660 -11.623 73 HB2 ALA 25 HB2 ALA 25 7.267 -8.654 -13.403 74 HB3 ALA 25 HB3 ALA 25 6.224 -7.510 -12.525 75 H GLY 26 H GLY 26 5.854 -11.630 -11.053 76 HA2 GLY 26 HA2 GLY 26 5.644 -13.853 -12.251 77 HA3 GLY 26 HA3 GLY 26 6.912 -13.239 -13.293 78 H THR 27 H THR 27 6.428 -12.906 -9.709 79 HA THR 27 HA THR 27 9.170 -13.858 -9.358 80 HB THR 27 HB THR 27 7.167 -12.335 -7.621 81 HG1 THR 27 HG1 THR 27 8.347 -11.153 -9.270 82 HG21 THR 27 HG21 THR 27 10.066 -12.681 -6.865 83 HG22 THR 27 HG22 THR 27 8.658 -12.380 -5.819 84 HG23 THR 27 HG23 THR 27 8.954 -14.012 -6.465 85 H LEU 28 H LEU 28 5.822 -14.476 -8.130 86 HA LEU 28 HA LEU 28 6.742 -17.202 -7.561 87 HB2 LEU 28 HB2 LEU 28 4.909 -16.922 -5.651 88 HB3 LEU 28 HB3 LEU 28 6.617 -16.616 -5.409 89 HG LEU 28 HG LEU 28 4.891 -14.330 -6.274 90 HD11 LEU 28 HD11 LEU 28 4.851 -14.215 -3.487 91 HD12 LEU 28 HD12 LEU 28 3.477 -14.532 -4.572 92 HD13 LEU 28 HD13 LEU 28 4.394 -15.890 -3.879 93 HD21 LEU 28 HD21 LEU 28 6.645 -13.659 -4.166 94 HD22 LEU 28 HD22 LEU 28 7.551 -14.730 -5.262 95 HD23 LEU 28 HD23 LEU 28 6.789 -13.250 -5.892 96 H ALA 29 H ALA 29 4.665 -18.661 -7.207 97 HA ALA 29 HA ALA 29 2.638 -17.808 -9.154 98 HB1 ALA 29 HB1 ALA 29 2.616 -20.294 -9.818 99 HB2 ALA 29 HB2 ALA 29 4.002 -19.325 -10.373 100 HB3 ALA 29 HB3 ALA 29 4.180 -20.415 -8.977 101 H GLU 30 H GLU 30 0.497 -18.577 -8.732 102 HA GLU 30 HA GLU 30 0.175 -20.097 -6.300 103 HB2 GLU 30 HB2 GLU 30 -1.435 -18.498 -5.342 104 HB3 GLU 30 HB3 GLU 30 0.131 -17.739 -5.550 105 HG2 GLU 30 HG2 GLU 30 -1.102 -16.084 -6.562 106 HG3 GLU 30 HG3 GLU 30 -0.964 -17.121 -7.968 107 HE2 GLU 30 HE2 GLU 30 -4.343 -17.499 -5.832 108 H CYS 31 H CYS 31 -1.736 -21.361 -6.283 109 HA CYS 31 HA CYS 31 -2.775 -22.048 -8.735 110 HB2 CYS 31 HB2 CYS 31 -2.943 -23.032 -6.153 111 HB3 CYS 31 HB3 CYS 31 -4.596 -22.551 -6.480 112 H GLU 32 H GLU 32 -4.194 -20.974 -10.067 113 HA GLU 32 HA GLU 32 -5.457 -18.629 -9.067 114 HB2 GLU 32 HB2 GLU 32 -5.215 -19.977 -11.760 115 HB3 GLU 32 HB3 GLU 32 -6.431 -18.735 -11.541 116 HG2 GLU 32 HG2 GLU 32 -3.511 -18.304 -10.776 117 HG3 GLU 32 HG3 GLU 32 -4.117 -17.954 -12.383 118 HE2 GLU 32 HE2 GLU 32 -6.497 -15.698 -10.527 119 H VAL 33 H VAL 33 -6.192 -21.854 -8.761 120 HA VAL 33 HA VAL 33 -9.077 -21.394 -9.042 121 HB VAL 33 HB VAL 33 -8.949 -23.287 -10.190 122 HG11 VAL 33 HG11 VAL 33 -6.580 -23.085 -10.582 123 HG12 VAL 33 HG12 VAL 33 -6.208 -23.734 -8.967 124 HG13 VAL 33 HG13 VAL 33 -6.943 -24.785 -10.200 125 HG21 VAL 33 HG21 VAL 33 -8.640 -25.419 -8.765 126 HG22 VAL 33 HG22 VAL 33 -8.477 -24.305 -7.387 127 HG23 VAL 33 HG23 VAL 33 -9.974 -24.317 -8.350 128 H HIS 34 H HIS 34 -6.520 -21.387 -6.817 129 HA HIS 34 HA HIS 34 -8.431 -21.885 -4.662 130 HB2 HIS 34 HB2 HIS 34 -5.551 -22.605 -4.281 131 HB3 HIS 34 HB3 HIS 34 -6.973 -23.209 -3.454 132 HD1 HIS 34 HD1 HIS 34 -6.127 -23.216 -7.202 133 HD2 HIS 34 HD2 HIS 34 -7.075 -25.860 -4.087 134 HE1 HIS 34 HE1 HIS 34 -6.279 -25.535 -8.255 135 H GLU 35 H GLU 35 -8.842 -19.755 -4.130 136 HA GLU 35 HA GLU 35 -6.792 -17.829 -4.189 137 HB2 GLU 35 HB2 GLU 35 -9.165 -17.252 -4.553 138 HB3 GLU 35 HB3 GLU 35 -9.569 -17.770 -2.928 139 HG2 GLU 35 HG2 GLU 35 -9.341 -15.450 -2.641 140 HG3 GLU 35 HG3 GLU 35 -7.755 -16.021 -2.161 141 HE2 GLU 35 HE2 GLU 35 -7.638 -13.261 -4.574 142 H GLY 36 H GLY 36 -5.269 -17.363 -2.656 143 HA2 GLY 36 HA2 GLY 36 -4.805 -16.868 -0.354 144 HA3 GLY 36 HA3 GLY 36 -5.821 -18.215 0.119 145 H THR 37 H THR 37 -4.745 -19.906 -2.202 146 HA THR 37 HA THR 37 -2.380 -20.823 -0.772 147 HB THR 37 HB THR 37 -2.973 -22.515 -2.966 148 HG1 THR 37 HG1 THR 37 -5.450 -22.167 -1.673 149 HG21 THR 37 HG21 THR 37 -3.745 -22.504 -0.022 150 HG22 THR 37 HG22 THR 37 -4.361 -23.773 -1.108 151 HG23 THR 37 HG23 THR 37 -2.607 -23.582 -0.865 152 H TYR 38 H TYR 38 -0.393 -20.192 -1.295 153 HA TYR 38 HA TYR 38 0.083 -19.540 -4.123 154 HB2 TYR 38 HB2 TYR 38 0.584 -18.114 -1.492 155 HB3 TYR 38 HB3 TYR 38 1.864 -17.989 -2.683 156 HD1 TYR 38 HD2 TYR 38 -1.891 -17.851 -2.860 157 HD2 TYR 38 HD1 TYR 38 1.831 -15.949 -3.773 158 HE1 TYR 38 HE2 TYR 38 -3.134 -15.953 -4.008 159 HE2 TYR 38 HE1 TYR 38 0.575 -14.057 -4.917 160 HH TYR 38 HH TYR 38 -2.438 -13.345 -4.433 161 H PHE 39 H PHE 39 2.648 -19.357 -4.428 162 HA PHE 39 HA PHE 39 4.262 -20.933 -2.766 163 HB2 PHE 39 HB2 PHE 39 4.380 -22.960 -4.145 164 HB3 PHE 39 HB3 PHE 39 2.680 -22.665 -3.842 165 HD1 PHE 39 HD1 PHE 39 1.232 -21.794 -5.636 166 HD2 PHE 39 HD2 PHE 39 5.297 -22.773 -6.360 167 HE1 PHE 39 HE1 PHE 39 0.790 -21.803 -8.107 168 HE2 PHE 39 HE2 PHE 39 4.855 -22.782 -8.831 169 HZ PHE 39 HZ PHE 39 2.607 -22.297 -9.675 170 H SER 40 H SER 40 6.099 -19.754 -3.042 171 HA SER 40 HA SER 40 6.595 -18.572 -5.598 172 HB2 SER 40 HB2 SER 40 8.329 -17.343 -4.502 173 HB3 SER 40 HB3 SER 40 7.017 -17.444 -3.345 174 HG SER 40 HG SER 40 8.440 -19.611 -2.843 175 H ASP 41 H ASP 41 8.498 -18.985 -6.916 176 HA ASP 41 HA ASP 41 9.075 -21.488 -7.478 177 HB2 ASP 41 HB2 ASP 41 11.465 -20.552 -8.116 178 HB3 ASP 41 HB3 ASP 41 10.043 -19.945 -8.941 179 HD2 ASP 41 HD2 ASP 41 11.615 -16.939 -8.269 180 H SER 42 H SER 42 9.427 -23.001 -5.780 181 HA SER 42 HA SER 42 11.084 -22.392 -3.599 182 HB2 SER 42 HB2 SER 42 10.658 -24.657 -2.886 183 HB3 SER 42 HB3 SER 42 9.178 -24.055 -3.606 184 HG SER 42 HG SER 42 10.425 -26.288 -4.254 185 H GLY 43 H GLY 43 13.259 -22.952 -3.191 186 HA2 GLY 43 HA2 GLY 43 15.152 -24.338 -3.692 187 HA3 GLY 43 HA3 GLY 43 14.682 -24.335 -5.381 188 H ASP 44 H ASP 44 13.900 -21.385 -5.240 189 HA ASP 44 HA ASP 44 16.493 -20.200 -4.778 190 HB2 ASP 44 HB2 ASP 44 14.956 -19.852 -7.394 191 HB3 ASP 44 HB3 ASP 44 16.482 -19.092 -6.991 192 HD2 ASP 44 HD2 ASP 44 18.159 -22.162 -6.964 193 H ILE 45 H ILE 45 15.246 -19.191 -2.980 194 HA ILE 45 HA ILE 45 12.896 -17.695 -3.565 195 HB ILE 45 HB ILE 45 14.565 -18.340 -1.222 196 HG12 ILE 45 HG12 ILE 45 12.257 -19.296 -2.086 197 HG13 ILE 45 HG13 ILE 45 12.618 -19.173 -0.376 198 HG21 ILE 45 HG21 ILE 45 13.106 -16.474 -0.003 199 HG22 ILE 45 HG22 ILE 45 14.737 -16.150 -0.637 200 HG23 ILE 45 HG23 ILE 45 13.305 -15.664 -1.575 201 HD11 ILE 45 HD11 ILE 45 10.367 -18.130 -1.544 202 HD12 ILE 45 HD12 ILE 45 11.069 -17.517 -0.028 203 HD13 ILE 45 HD13 ILE 45 11.441 -16.710 -1.570 204 H SER 46 H SER 46 16.400 -17.066 -3.423 205 HA SER 46 HA SER 46 16.163 -14.284 -3.328 206 HB2 SER 46 HB2 SER 46 18.221 -15.747 -2.821 207 HB3 SER 46 HB3 SER 46 18.463 -15.859 -4.553 208 HG SER 46 HG SER 46 19.713 -14.123 -3.693 209 H GLU 47 H GLU 47 15.943 -16.705 -5.901 210 HA GLU 47 HA GLU 47 16.567 -15.112 -8.059 211 HB2 GLU 47 HB2 GLU 47 15.048 -17.643 -7.601 212 HB3 GLU 47 HB3 GLU 47 14.701 -16.817 -9.107 213 HG2 GLU 47 HG2 GLU 47 17.574 -17.279 -8.233 214 HG3 GLU 47 HG3 GLU 47 16.675 -18.551 -9.036 215 HE2 GLU 47 HE2 GLU 47 15.924 -15.431 -10.876 216 H ALA 48 H ALA 48 13.636 -15.339 -6.059 217 HA ALA 48 HA ALA 48 11.857 -14.112 -7.837 218 HB1 ALA 48 HB1 ALA 48 10.637 -14.961 -6.130 219 HB2 ALA 48 HB2 ALA 48 12.000 -14.863 -4.989 220 HB3 ALA 48 HB3 ALA 48 10.994 -13.428 -5.300 221 H GLU 49 H GLU 49 14.190 -12.833 -5.408 222 HA GLU 49 HA GLU 49 13.309 -10.189 -5.655 223 HB2 GLU 49 HB2 GLU 49 14.532 -10.355 -3.730 224 HB3 GLU 49 HB3 GLU 49 15.540 -11.645 -4.354 225 HG2 GLU 49 HG2 GLU 49 15.893 -8.883 -5.520 226 HG3 GLU 49 HG3 GLU 49 16.522 -9.183 -3.912 227 HE2 GLU 49 HE2 GLU 49 17.425 -12.239 -5.373 228 H GLU 50 H GLU 50 16.152 -11.974 -7.049 229 HA GLU 50 HA GLU 50 17.211 -9.900 -8.454 230 HB2 GLU 50 HB2 GLU 50 17.155 -12.892 -8.935 231 HB3 GLU 50 HB3 GLU 50 17.978 -11.832 -10.062 232 HG2 GLU 50 HG2 GLU 50 19.327 -10.891 -8.150 233 HG3 GLU 50 HG3 GLU 50 18.537 -12.015 -7.063 234 HE2 GLU 50 HE2 GLU 50 21.152 -12.119 -7.349 235 H LEU 51 H LEU 51 14.700 -12.293 -9.519 236 HA LEU 51 HA LEU 51 14.405 -11.273 -12.094 237 HB2 LEU 51 HB2 LEU 51 13.411 -13.264 -12.023 238 HB3 LEU 51 HB3 LEU 51 13.041 -13.145 -10.315 239 HG LEU 51 HG LEU 51 11.088 -13.339 -11.948 240 HD11 LEU 51 HD11 LEU 51 10.752 -10.903 -10.236 241 HD12 LEU 51 HD12 LEU 51 9.675 -12.302 -10.462 242 HD13 LEU 51 HD13 LEU 51 11.148 -12.463 -9.475 243 HD21 LEU 51 HD21 LEU 51 12.320 -11.154 -13.159 244 HD22 LEU 51 HD22 LEU 51 10.701 -11.804 -13.509 245 HD23 LEU 51 HD23 LEU 51 10.892 -10.468 -12.348 246 H ALA 52 H ALA 52 12.896 -10.384 -8.953 247 HA ALA 52 HA ALA 52 10.991 -8.634 -10.024 248 HB1 ALA 52 HB1 ALA 52 10.745 -9.435 -7.785 249 HB2 ALA 52 HB2 ALA 52 12.368 -8.866 -7.327 250 HB3 ALA 52 HB3 ALA 52 11.072 -7.690 -7.651 251 H ARG 53 H ARG 53 14.442 -8.264 -9.101 252 HA ARG 53 HA ARG 53 14.402 -5.474 -9.363 253 HB2 ARG 53 HB2 ARG 53 16.516 -5.672 -8.519 254 HB3 ARG 53 HB3 ARG 53 16.202 -7.393 -8.411 255 HG2 ARG 53 HG2 ARG 53 17.016 -7.585 -10.843 256 HG3 ARG 53 HG3 ARG 53 17.534 -5.915 -10.724 257 HD2 ARG 53 HD2 ARG 53 18.455 -8.121 -8.818 258 HD3 ARG 53 HD3 ARG 53 19.364 -7.603 -10.224 259 HE ARG 53 HE ARG 53 18.901 -5.229 -8.878 260 HH11 ARG 53 HH22 ARG 53 20.277 -8.329 -7.937 261 HH12 ARG 53 HH21 ARG 53 21.320 -7.645 -6.735 262 HH21 ARG 53 HH12 ARG 53 20.278 -4.327 -7.292 263 HH22 ARG 53 HH11 ARG 53 21.320 -5.354 -6.366 264 H GLU 54 H GLU 54 14.758 -8.208 -11.578 265 HA GLU 54 HA GLU 54 16.045 -6.749 -13.618 266 HB2 GLU 54 HB2 GLU 54 16.150 -9.235 -13.399 267 HB3 GLU 54 HB3 GLU 54 14.439 -9.339 -13.767 268 HG2 GLU 54 HG2 GLU 54 14.799 -8.389 -16.004 269 HG3 GLU 54 HG3 GLU 54 16.482 -8.061 -15.642 270 HE2 GLU 54 HE2 GLU 54 15.071 -11.767 -15.899 271 H LYS 55 H LYS 55 12.628 -7.768 -12.973 272 HA LYS 55 HA LYS 55 11.629 -6.539 -15.320 273 HB2 LYS 55 HB2 LYS 55 10.662 -8.448 -13.790 274 HB3 LYS 55 HB3 LYS 55 9.944 -7.120 -12.901 275 HG2 LYS 55 HG2 LYS 55 8.261 -7.274 -14.442 276 HG3 LYS 55 HG3 LYS 55 9.344 -6.364 -15.478 277 HD2 LYS 55 HD2 LYS 55 10.078 -8.308 -16.641 278 HD3 LYS 55 HD3 LYS 55 9.548 -9.389 -15.368 279 HE2 LYS 55 HE2 LYS 55 8.117 -9.046 -17.627 280 HE3 LYS 55 HE3 LYS 55 7.348 -9.399 -16.092 281 HZ1 LYS 55 HZ1 LYS 55 6.852 -7.151 -15.788 282 HZ2 LYS 55 HZ2 LYS 55 7.846 -6.652 -16.985 283 HZ3 LYS 55 HZ3 LYS 55 6.469 -7.454 -17.347 284 H PHE 56 H PHE 56 11.702 -5.602 -11.819 285 HA PHE 56 HA PHE 56 10.368 -3.211 -12.076 286 HB2 PHE 56 HB2 PHE 56 11.054 -4.354 -9.946 287 HB3 PHE 56 HB3 PHE 56 12.744 -4.095 -10.331 288 HD1 PHE 56 HD1 PHE 56 10.711 -1.309 -11.238 289 HD2 PHE 56 HD2 PHE 56 12.717 -3.117 -7.964 290 HE1 PHE 56 HE1 PHE 56 10.660 0.874 -10.001 291 HE2 PHE 56 HE2 PHE 56 12.665 -0.934 -6.727 292 HZ PHE 56 HZ PHE 56 11.638 1.036 -7.760 293 H GLU 57 H GLU 57 13.940 -3.850 -12.260 294 HA GLU 57 HA GLU 57 14.554 -1.173 -12.763 295 HB2 GLU 57 HB2 GLU 57 16.788 -1.921 -13.049 296 HB3 GLU 57 HB3 GLU 57 16.093 -3.057 -11.909 297 HG2 GLU 57 HG2 GLU 57 15.562 -4.586 -13.893 298 HG3 GLU 57 HG3 GLU 57 16.480 -3.489 -14.905 299 HE2 GLU 57 HE2 GLU 57 17.687 -5.255 -15.216 300 H LYS 58 H LYS 58 13.502 -3.875 -14.790 301 HA LYS 58 HA LYS 58 14.261 -2.475 -17.215 302 HB2 LYS 58 HB2 LYS 58 14.652 -4.872 -17.105 303 HB3 LYS 58 HB3 LYS 58 12.967 -5.173 -16.731 304 HG2 LYS 58 HG2 LYS 58 13.735 -5.447 -19.209 305 HG3 LYS 58 HG3 LYS 58 12.234 -4.596 -18.905 306 HD2 LYS 58 HD2 LYS 58 13.531 -3.304 -20.516 307 HD3 LYS 58 HD3 LYS 58 13.475 -2.408 -19.011 308 HE2 LYS 58 HE2 LYS 58 15.758 -2.272 -19.570 309 HE3 LYS 58 HE3 LYS 58 15.742 -3.625 -18.456 310 HZ1 LYS 58 HZ1 LYS 58 15.299 -4.253 -21.236 311 HZ2 LYS 58 HZ2 LYS 58 16.806 -3.769 -20.836 312 HZ3 LYS 58 HZ3 LYS 58 16.146 -5.071 -20.105 313 H GLY 59 H GLY 59 12.160 -1.569 -15.105 314 HA2 GLY 59 HA2 GLY 59 10.355 -0.421 -16.941 315 HA3 GLY 59 HA3 GLY 59 9.594 -1.805 -16.182 316 H GLU 60 H GLU 60 10.944 1.442 -15.682 317 HA GLU 60 HA GLU 60 10.883 1.546 -12.950 318 HB2 GLU 60 HB2 GLU 60 10.226 3.775 -14.927 319 HB3 GLU 60 HB3 GLU 60 10.679 4.014 -13.251 320 HG2 GLU 60 HG2 GLU 60 12.909 3.349 -13.607 321 HG3 GLU 60 HG3 GLU 60 12.510 2.370 -15.004 322 HE2 GLU 60 HE2 GLU 60 13.599 4.800 -17.016 323 H VAL 61 H VAL 61 9.290 1.764 -11.389 324 HA VAL 61 HA VAL 61 6.551 1.636 -12.385 325 HB VAL 61 HB VAL 61 7.386 -0.113 -10.871 326 HG11 VAL 61 HG11 VAL 61 8.380 2.162 -9.388 327 HG12 VAL 61 HG12 VAL 61 7.338 1.156 -8.353 328 HG13 VAL 61 HG13 VAL 61 8.737 0.430 -9.181 329 HG21 VAL 61 HG21 VAL 61 5.216 1.672 -9.719 330 HG22 VAL 61 HG22 VAL 61 5.006 0.359 -10.902 331 HG23 VAL 61 HG23 VAL 61 5.514 -0.016 -9.237 332 H SER 62 H SER 62 4.869 2.965 -11.333 333 HA SER 62 HA SER 62 5.475 5.607 -11.397 334 HB2 SER 62 HB2 SER 62 3.180 4.507 -11.470 335 HB3 SER 62 HB3 SER 62 3.252 4.358 -9.725 336 HG SER 62 HG SER 62 2.731 6.604 -11.306 337 H ASN 63 H ASN 63 5.008 3.509 -8.459 338 HA ASN 63 HA ASN 63 5.335 5.250 -6.505 339 HB2 ASN 63 HB2 ASN 63 6.761 2.545 -6.713 340 HB3 ASN 63 HB3 ASN 63 6.492 3.408 -5.212 341 HD21 ASN 63 HD21 ASN 63 4.575 3.325 -4.208 342 HD22 ASN 63 HD22 ASN 63 3.193 2.432 -4.751 343 H PHE 64 H PHE 64 7.781 4.153 -8.846 344 HA PHE 64 HA PHE 64 9.888 4.691 -9.215 345 HB2 PHE 64 HB2 PHE 64 8.744 6.965 -9.306 346 HB3 PHE 64 HB3 PHE 64 9.048 7.170 -7.593 347 HD1 PHE 64 HD1 PHE 64 11.520 5.660 -9.859 348 HD2 PHE 64 HD2 PHE 64 10.311 9.193 -7.843 349 HE1 PHE 64 HE1 PHE 64 13.738 6.715 -10.378 350 HE2 PHE 64 HE2 PHE 64 12.529 10.248 -8.363 351 HZ PHE 64 HZ PHE 64 14.216 8.997 -9.624 352 H ASP 65 H ASP 65 9.345 3.129 -6.796 353 HA ASP 65 HA ASP 65 10.851 4.156 -4.677 354 HB2 ASP 65 HB2 ASP 65 9.813 1.418 -5.460 355 HB3 ASP 65 HB3 ASP 65 10.909 1.560 -4.100 356 HD2 ASP 65 HD2 ASP 65 8.413 3.890 -4.830 357 H ASP 66 H ASP 66 12.770 2.469 -3.840 358 HA ASP 66 HA ASP 66 14.727 2.654 -5.921 359 HB2 ASP 66 HB2 ASP 66 14.709 2.169 -2.953 360 HB3 ASP 66 HB3 ASP 66 16.076 1.528 -3.844 361 HD2 ASP 66 HD2 ASP 66 17.554 2.821 -3.241 362 H VAL 67 H VAL 67 16.045 0.762 -6.599 363 HA VAL 67 HA VAL 67 14.527 -1.563 -6.977 364 HB VAL 67 HB VAL 67 17.522 -1.248 -7.215 365 HG11 VAL 67 HG11 VAL 67 17.173 -3.459 -7.690 366 HG12 VAL 67 HG12 VAL 67 15.495 -3.198 -8.223 367 HG13 VAL 67 HG13 VAL 67 16.847 -2.773 -9.299 368 HG21 VAL 67 HG21 VAL 67 16.485 -0.801 -9.737 369 HG22 VAL 67 HG22 VAL 67 15.359 0.088 -8.683 370 HG23 VAL 67 HG23 VAL 67 17.102 0.447 -8.627 371 H GLU 68 H GLU 68 17.526 -1.017 -4.987 372 HA GLU 68 HA GLU 68 17.620 -3.451 -3.830 373 HB2 GLU 68 HB2 GLU 68 19.450 -2.084 -3.355 374 HB3 GLU 68 HB3 GLU 68 18.457 -0.693 -2.970 375 HG2 GLU 68 HG2 GLU 68 17.814 -1.640 -0.820 376 HG3 GLU 68 HG3 GLU 68 18.515 -3.194 -1.224 377 HE2 GLU 68 HE2 GLU 68 19.265 -1.040 0.854 378 H GLU 69 H GLU 69 15.406 -0.756 -3.142 379 HA GLU 69 HA GLU 69 14.536 -1.823 -0.674 380 HB2 GLU 69 HB2 GLU 69 13.591 0.378 -2.522 381 HB3 GLU 69 HB3 GLU 69 12.566 -0.133 -1.196 382 HG2 GLU 69 HG2 GLU 69 15.485 0.685 -0.835 383 HG3 GLU 69 HG3 GLU 69 14.146 1.803 -0.663 384 HE2 GLU 69 HE2 GLU 69 12.826 -0.741 1.591 385 H LEU 70 H LEU 70 13.208 -1.735 -4.048 386 HA LEU 70 HA LEU 70 10.847 -3.084 -3.495 387 HB2 LEU 70 HB2 LEU 70 11.155 -1.871 -5.523 388 HB3 LEU 70 HB3 LEU 70 12.528 -2.856 -5.987 389 HG LEU 70 HG LEU 70 9.967 -4.306 -5.576 390 HD11 LEU 70 HD11 LEU 70 10.157 -1.995 -7.350 391 HD12 LEU 70 HD12 LEU 70 9.729 -3.493 -8.210 392 HD13 LEU 70 HD13 LEU 70 8.739 -2.941 -6.839 393 HD21 LEU 70 HD21 LEU 70 10.918 -5.848 -6.893 394 HD22 LEU 70 HD22 LEU 70 11.502 -4.641 -8.063 395 HD23 LEU 70 HD23 LEU 70 12.426 -4.957 -6.576 396 H VAL 71 H VAL 71 14.010 -4.385 -4.726 397 HA VAL 71 HA VAL 71 13.311 -7.029 -4.788 398 HB VAL 71 HB VAL 71 15.809 -7.360 -4.279 399 HG11 VAL 71 HG11 VAL 71 16.411 -6.752 -6.505 400 HG12 VAL 71 HG12 VAL 71 14.693 -7.214 -6.548 401 HG13 VAL 71 HG13 VAL 71 15.153 -5.495 -6.577 402 HG21 VAL 71 HG21 VAL 71 16.665 -4.748 -4.932 403 HG22 VAL 71 HG22 VAL 71 15.511 -4.572 -3.588 404 HG23 VAL 71 HG23 VAL 71 16.927 -5.636 -3.411 405 H LYS 72 H LYS 72 14.682 -5.139 -2.010 406 HA LYS 72 HA LYS 72 14.736 -7.248 -0.215 407 HB2 LYS 72 HB2 LYS 72 14.867 -4.298 -0.109 408 HB3 LYS 72 HB3 LYS 72 14.301 -5.057 1.366 409 HG2 LYS 72 HG2 LYS 72 16.805 -4.795 1.282 410 HG3 LYS 72 HG3 LYS 72 16.292 -6.455 1.511 411 HD2 LYS 72 HD2 LYS 72 16.436 -6.649 -1.100 412 HD3 LYS 72 HD3 LYS 72 17.350 -5.155 -1.027 413 HE2 LYS 72 HE2 LYS 72 18.130 -7.474 0.766 414 HE3 LYS 72 HE3 LYS 72 18.616 -7.482 -0.917 415 HZ1 LYS 72 HZ1 LYS 72 19.528 -5.223 -0.496 416 HZ2 LYS 72 HZ2 LYS 72 19.267 -5.456 1.099 417 HZ3 LYS 72 HZ3 LYS 72 20.301 -6.428 0.291 418 H LYS 73 H LYS 73 12.095 -5.006 -1.171 419 HA LYS 73 HA LYS 73 10.318 -6.038 0.811 420 HB2 LYS 73 HB2 LYS 73 10.447 -3.771 -0.825 421 HB3 LYS 73 HB3 LYS 73 9.060 -4.658 -1.425 422 HG2 LYS 73 HG2 LYS 73 7.867 -4.423 0.549 423 HG3 LYS 73 HG3 LYS 73 9.300 -4.494 1.555 424 HD2 LYS 73 HD2 LYS 73 8.846 -2.239 1.792 425 HD3 LYS 73 HD3 LYS 73 9.830 -2.143 0.346 426 HE2 LYS 73 HE2 LYS 73 7.939 -1.906 -1.085 427 HE3 LYS 73 HE3 LYS 73 6.833 -2.562 0.106 428 HZ1 LYS 73 HZ1 LYS 73 7.292 0.045 -0.312 429 HZ2 LYS 73 HZ2 LYS 73 6.600 -0.578 1.030 430 HZ3 LYS 73 HZ3 LYS 73 8.197 -0.238 1.017 431 H VAL 74 H VAL 74 11.397 -6.985 -2.376 432 HA VAL 74 HA VAL 74 9.054 -8.453 -3.056 433 HB VAL 74 HB VAL 74 11.898 -8.531 -4.083 434 HG11 VAL 74 HG11 VAL 74 9.508 -9.530 -5.619 435 HG12 VAL 74 HG12 VAL 74 11.234 -9.904 -5.838 436 HG13 VAL 74 HG13 VAL 74 10.342 -10.594 -4.461 437 HG21 VAL 74 HG21 VAL 74 9.792 -6.617 -4.396 438 HG22 VAL 74 HG22 VAL 74 11.411 -6.628 -5.136 439 HG23 VAL 74 HG23 VAL 74 10.052 -7.432 -5.957 440 H VAL 75 H VAL 75 12.200 -9.152 -1.457 441 HA VAL 75 HA VAL 75 11.678 -11.952 -1.315 442 HB VAL 75 HB VAL 75 13.922 -10.843 -1.406 443 HG11 VAL 75 HG11 VAL 75 13.080 -9.963 1.351 444 HG12 VAL 75 HG12 VAL 75 14.798 -10.211 0.959 445 HG13 VAL 75 HG13 VAL 75 13.839 -9.020 0.047 446 HG21 VAL 75 HG21 VAL 75 13.992 -12.460 1.086 447 HG22 VAL 75 HG22 VAL 75 13.198 -13.210 -0.319 448 HG23 VAL 75 HG23 VAL 75 14.886 -12.658 -0.440 449 H ALA 76 H ALA 76 11.072 -9.073 0.698 450 HA ALA 76 HA ALA 76 10.484 -10.499 3.064 451 HB1 ALA 76 HB1 ALA 76 9.062 -8.040 3.006 452 HB2 ALA 76 HB2 ALA 76 10.629 -8.376 3.781 453 HB3 ALA 76 HB3 ALA 76 10.576 -7.772 2.108 454 H VAL 77 H VAL 77 8.394 -8.988 0.500 455 HA VAL 77 HA VAL 77 5.982 -9.850 1.558 456 HB VAL 77 HB VAL 77 5.166 -9.537 -0.785 457 HG11 VAL 77 HG11 VAL 77 5.112 -7.648 0.667 458 HG12 VAL 77 HG12 VAL 77 6.867 -7.393 0.517 459 HG13 VAL 77 HG13 VAL 77 5.801 -7.083 -0.874 460 HG21 VAL 77 HG21 VAL 77 7.131 -8.300 -2.163 461 HG22 VAL 77 HG22 VAL 77 8.094 -9.519 -1.295 462 HG23 VAL 77 HG23 VAL 77 6.747 -10.028 -2.340 463 H CYS 78 H CYS 78 8.146 -11.395 -0.909 464 HA CYS 78 HA CYS 78 6.587 -13.577 -1.441 465 HB2 CYS 78 HB2 CYS 78 8.419 -14.459 -2.516 466 HB3 CYS 78 HB3 CYS 78 8.884 -12.771 -2.434 467 HG CYS 78 HG CYS 78 9.861 -15.401 -0.746 468 H GLU 79 H GLU 79 8.894 -12.921 1.253 469 HA GLU 79 HA GLU 79 8.638 -15.528 2.313 470 HB2 GLU 79 HB2 GLU 79 10.659 -14.149 2.671 471 HB3 GLU 79 HB3 GLU 79 9.718 -12.955 3.543 472 HG2 GLU 79 HG2 GLU 79 10.769 -14.335 5.215 473 HG3 GLU 79 HG3 GLU 79 9.075 -14.784 5.204 474 HE2 GLU 79 HE2 GLU 79 11.886 -17.347 4.024 475 H GLU 80 H GLU 80 6.888 -12.474 2.595 476 HA GLU 80 HA GLU 80 5.673 -13.094 5.061 477 HB2 GLU 80 HB2 GLU 80 5.953 -10.773 4.111 478 HB3 GLU 80 HB3 GLU 80 4.748 -11.153 2.897 479 HG2 GLU 80 HG2 GLU 80 3.106 -11.669 4.760 480 HG3 GLU 80 HG3 GLU 80 4.311 -11.149 5.921 481 HE2 GLU 80 HE2 GLU 80 4.037 -7.996 3.782 482 H LEU 81 H LEU 81 5.194 -14.108 1.764 483 HA LEU 81 HA LEU 81 2.409 -14.749 2.134 484 HB2 LEU 81 HB2 LEU 81 4.401 -14.949 -0.087 485 HB3 LEU 81 HB3 LEU 81 2.946 -15.924 -0.154 486 HG LEU 81 HG LEU 81 3.167 -12.912 -0.127 487 HD11 LEU 81 HD11 LEU 81 1.558 -13.448 -2.178 488 HD12 LEU 81 HD12 LEU 81 3.332 -13.474 -2.325 489 HD13 LEU 81 HD13 LEU 81 2.433 -14.998 -2.124 490 HD21 LEU 81 HD21 LEU 81 0.569 -13.100 -0.303 491 HD22 LEU 81 HD22 LEU 81 0.812 -14.645 0.547 492 HD23 LEU 81 HD23 LEU 81 1.360 -13.124 1.291 493 H GLY 82 H GLY 82 5.512 -16.146 2.821 494 HA2 GLY 82 HA2 GLY 82 6.160 -18.306 3.211 495 HA3 GLY 82 HA3 GLY 82 4.848 -18.172 4.364 496 H ALA 83 H ALA 83 4.792 -18.368 0.739 497 HA ALA 83 HA ALA 83 3.175 -20.806 1.048 498 HB1 ALA 83 HB1 ALA 83 1.661 -20.002 -0.463 499 HB2 ALA 83 HB2 ALA 83 2.272 -18.427 0.098 500 HB3 ALA 83 HB3 ALA 83 2.901 -19.141 -1.406 501 H GLU 84 H GLU 84 3.837 -22.608 -0.076 502 HA GLU 84 HA GLU 84 5.811 -22.198 -2.151 503 HB2 GLU 84 HB2 GLU 84 7.293 -23.951 -1.214 504 HB3 GLU 84 HB3 GLU 84 7.145 -22.589 -0.121 505 HG2 GLU 84 HG2 GLU 84 5.195 -24.866 0.207 506 HG3 GLU 84 HG3 GLU 84 6.848 -25.130 0.726 507 HE2 GLU 84 HE2 GLU 84 7.444 -23.804 2.755 508 H GLU 85 H GLU 85 2.858 -23.138 -1.611 509 HA GLU 85 HA GLU 85 2.670 -24.852 -3.706 510 HB2 GLU 85 HB2 GLU 85 3.901 -26.524 -2.390 511 HB3 GLU 85 HB3 GLU 85 2.779 -26.355 -1.055 512 HG2 GLU 85 HG2 GLU 85 1.000 -27.401 -2.242 513 HG3 GLU 85 HG3 GLU 85 1.742 -27.113 -3.803 514 HE2 GLU 85 HE2 GLU 85 4.302 -29.003 -3.502 515 H CYS 86 H CYS 86 0.411 -25.728 -3.957 516 HA CYS 86 HA CYS 86 -1.401 -24.101 -2.347 517 HB2 CYS 86 HB2 CYS 86 -1.692 -23.538 -4.611 518 HB3 CYS 86 HB3 CYS 86 -1.565 -25.200 -5.151 519 H PHE 87 H PHE 87 -1.446 -25.579 -0.518 520 HA PHE 87 HA PHE 87 -1.801 -28.307 -0.705 521 HB2 PHE 87 HB2 PHE 87 -2.907 -26.286 1.338 522 HB3 PHE 87 HB3 PHE 87 -2.649 -27.989 1.660 523 HD1 PHE 87 HD1 PHE 87 -0.110 -28.753 1.025 524 HD2 PHE 87 HD2 PHE 87 -1.325 -24.858 2.191 525 HE1 PHE 87 HE1 PHE 87 2.227 -28.254 1.793 526 HE2 PHE 87 HE2 PHE 87 1.012 -24.359 2.958 527 HZ PHE 87 HZ PHE 87 2.760 -26.063 2.750 528 H SER 88 H SER 88 -4.062 -25.683 -1.298 529 HA SER 88 HA SER 88 -6.407 -27.036 -0.692 530 HB2 SER 88 HB2 SER 88 -6.194 -24.566 -1.082 531 HB3 SER 88 HB3 SER 88 -5.941 -24.870 -2.790 532 HG SER 88 HG SER 88 -8.205 -24.332 -2.061 533 H CYS 89 H CYS 89 -4.054 -27.538 -3.161 534 HA CYS 89 HA CYS 89 -5.587 -28.266 -5.328 535 HB2 CYS 89 HB2 CYS 89 -2.830 -28.814 -4.384 536 HB3 CYS 89 HB3 CYS 89 -3.474 -29.978 -5.525 537 H ASP 90 H ASP 90 -5.267 -29.681 -2.163 538 HA ASP 90 HA ASP 90 -6.404 -32.167 -3.170 539 HB2 ASP 90 HB2 ASP 90 -5.201 -31.656 -0.414 540 HB3 ASP 90 HB3 ASP 90 -5.619 -33.212 -1.104 541 HD2 ASP 90 HD2 ASP 90 -3.138 -31.813 -0.201 542 H PHE 91 H PHE 91 -7.050 -29.184 -1.615 543 HA PHE 91 HA PHE 91 -9.107 -30.213 0.139 544 HB2 PHE 91 HB2 PHE 91 -7.458 -28.222 0.537 545 HB3 PHE 91 HB3 PHE 91 -8.370 -27.342 -0.674 546 HD1 PHE 91 HD1 PHE 91 -8.803 -29.123 2.567 547 HD2 PHE 91 HD2 PHE 91 -10.226 -26.091 -0.038 548 HE1 PHE 91 HE1 PHE 91 -10.412 -28.358 4.336 549 HE2 PHE 91 HE2 PHE 91 -11.834 -25.326 1.730 550 HZ PHE 91 HZ PHE 91 -11.909 -26.468 3.896 551 H ASP 92 H ASP 92 -11.052 -30.772 -0.721 552 HA ASP 92 HA ASP 92 -11.841 -29.866 -3.242 553 HB2 ASP 92 HB2 ASP 92 -12.749 -31.947 -2.607 554 HB3 ASP 92 HB3 ASP 92 -13.117 -31.407 -0.981 555 HD2 ASP 92 HD2 ASP 92 -14.468 -31.996 -3.945 Start of MODEL 2 1 H SER 16 H SER 16 2.014 -0.187 0.573 2 HA SER 16 HA SER 16 2.033 0.740 -2.005 3 HB2 SER 16 HB2 SER 16 4.342 -0.193 -2.107 4 HB3 SER 16 HB3 SER 16 4.043 0.675 -0.614 5 HG SER 16 HG SER 16 3.353 -1.989 -0.341 6 H GLU 17 H GLU 17 1.887 -0.233 -4.055 7 HA GLU 17 HA GLU 17 1.118 -3.042 -3.970 8 HB2 GLU 17 HB2 GLU 17 0.487 -0.985 -6.131 9 HB3 GLU 17 HB3 GLU 17 -0.144 -2.617 -6.035 10 HG2 GLU 17 HG2 GLU 17 -1.906 -1.424 -5.070 11 HG3 GLU 17 HG3 GLU 17 -0.996 -1.862 -3.638 12 HE2 GLU 17 HE2 GLU 17 -0.295 1.835 -5.021 13 H ALA 18 H ALA 18 3.725 -1.054 -4.615 14 HA ALA 18 HA ALA 18 4.609 -2.038 -7.102 15 HB1 ALA 18 HB1 ALA 18 6.845 -1.153 -6.198 16 HB2 ALA 18 HB2 ALA 18 5.507 0.017 -6.305 17 HB3 ALA 18 HB3 ALA 18 5.945 -0.693 -4.732 18 H VAL 19 H VAL 19 4.718 -3.239 -3.761 19 HA VAL 19 HA VAL 19 6.771 -5.146 -4.257 20 HB VAL 19 HB VAL 19 6.213 -4.153 -2.054 21 HG11 VAL 19 HG11 VAL 19 3.803 -5.997 -2.087 22 HG12 VAL 19 HG12 VAL 19 4.295 -4.879 -0.793 23 HG13 VAL 19 HG13 VAL 19 3.725 -4.239 -2.353 24 HG21 VAL 19 HG21 VAL 19 6.017 -7.182 -2.187 25 HG22 VAL 19 HG22 VAL 19 7.518 -6.226 -2.215 26 HG23 VAL 19 HG23 VAL 19 6.489 -6.224 -0.762 27 H TYR 20 H TYR 20 3.156 -5.200 -4.141 28 HA TYR 20 HA TYR 20 2.956 -7.969 -4.629 29 HB2 TYR 20 HB2 TYR 20 1.282 -5.436 -4.726 30 HB3 TYR 20 HB3 TYR 20 0.616 -6.836 -5.543 31 HD1 TYR 20 HD2 TYR 20 2.683 -7.634 -2.692 32 HD2 TYR 20 HD1 TYR 20 -1.285 -6.561 -3.877 33 HE1 TYR 20 HE2 TYR 20 1.780 -8.499 -0.478 34 HE2 TYR 20 HE1 TYR 20 -2.175 -7.429 -1.659 35 HH TYR 20 HH TYR 20 -0.807 -7.704 0.845 36 H ILE 21 H ILE 21 3.172 -5.076 -6.738 37 HA ILE 21 HA ILE 21 2.505 -6.548 -9.092 38 HB ILE 21 HB ILE 21 2.393 -3.955 -8.420 39 HG12 ILE 21 HG12 ILE 21 1.142 -4.776 -10.235 40 HG13 ILE 21 HG13 ILE 21 2.162 -3.520 -10.908 41 HG21 ILE 21 HG21 ILE 21 4.078 -2.699 -9.698 42 HG22 ILE 21 HG22 ILE 21 4.800 -3.630 -8.363 43 HG23 ILE 21 HG23 ILE 21 4.942 -4.218 -10.037 44 HD11 ILE 21 HD11 ILE 21 3.834 -5.348 -11.551 45 HD12 ILE 21 HD12 ILE 21 2.588 -6.532 -11.087 46 HD13 ILE 21 HD13 ILE 21 2.282 -5.394 -12.421 47 H ALA 22 H ALA 22 5.502 -5.446 -7.434 48 HA ALA 22 HA ALA 22 7.234 -6.273 -9.502 49 HB1 ALA 22 HB1 ALA 22 7.922 -4.629 -7.863 50 HB2 ALA 22 HB2 ALA 22 7.628 -5.768 -6.527 51 HB3 ALA 22 HB3 ALA 22 8.956 -6.065 -7.674 52 H ILE 23 H ILE 23 5.783 -7.861 -6.631 53 HA ILE 23 HA ILE 23 7.372 -10.228 -7.021 54 HB ILE 23 HB ILE 23 6.197 -11.084 -5.116 55 HG12 ILE 23 HG12 ILE 23 4.520 -9.173 -4.116 56 HG13 ILE 23 HG13 ILE 23 4.205 -9.020 -5.833 57 HG21 ILE 23 HG21 ILE 23 6.467 -8.770 -3.673 58 HG22 ILE 23 HG22 ILE 23 7.790 -9.879 -4.107 59 HG23 ILE 23 HG23 ILE 23 7.474 -8.438 -5.103 60 HD11 ILE 23 HD11 ILE 23 2.889 -10.855 -5.708 61 HD12 ILE 23 HD12 ILE 23 4.335 -11.820 -5.325 62 HD13 ILE 23 HD13 ILE 23 3.362 -11.116 -4.012 63 H GLU 24 H GLU 24 4.397 -8.859 -8.221 64 HA GLU 24 HA GLU 24 3.466 -11.482 -9.015 65 HB2 GLU 24 HB2 GLU 24 1.807 -9.963 -8.019 66 HB3 GLU 24 HB3 GLU 24 2.173 -8.727 -9.205 67 HG2 GLU 24 HG2 GLU 24 1.079 -9.853 -10.937 68 HG3 GLU 24 HG3 GLU 24 1.380 -11.437 -10.250 69 HE2 GLU 24 HE2 GLU 24 -0.897 -12.051 -10.084 70 H ALA 25 H ALA 25 5.524 -9.048 -10.134 71 HA ALA 25 HA ALA 25 4.764 -8.872 -12.835 72 HB1 ALA 25 HB1 ALA 25 7.509 -8.548 -11.558 73 HB2 ALA 25 HB2 ALA 25 6.979 -7.887 -13.124 74 HB3 ALA 25 HB3 ALA 25 6.257 -7.285 -11.613 75 H GLY 26 H GLY 26 6.461 -11.301 -10.910 76 HA2 GLY 26 HA2 GLY 26 6.206 -13.458 -12.380 77 HA3 GLY 26 HA3 GLY 26 7.458 -12.654 -13.306 78 H THR 27 H THR 27 6.928 -12.643 -9.723 79 HA THR 27 HA THR 27 9.682 -13.585 -9.423 80 HB THR 27 HB THR 27 7.670 -12.079 -7.703 81 HG1 THR 27 HG1 THR 27 9.119 -10.925 -9.145 82 HG21 THR 27 HG21 THR 27 10.345 -12.460 -6.533 83 HG22 THR 27 HG22 THR 27 8.751 -12.621 -5.757 84 HG23 THR 27 HG23 THR 27 9.454 -13.998 -6.640 85 H LEU 28 H LEU 28 6.332 -14.302 -8.258 86 HA LEU 28 HA LEU 28 7.288 -17.040 -7.803 87 HB2 LEU 28 HB2 LEU 28 5.490 -17.000 -5.931 88 HB3 LEU 28 HB3 LEU 28 7.107 -16.394 -5.635 89 HG LEU 28 HG LEU 28 4.920 -14.505 -6.474 90 HD11 LEU 28 HD11 LEU 28 3.783 -14.658 -4.573 91 HD12 LEU 28 HD12 LEU 28 4.713 -16.129 -4.199 92 HD13 LEU 28 HD13 LEU 28 5.272 -14.548 -3.604 93 HD21 LEU 28 HD21 LEU 28 7.674 -14.309 -5.542 94 HD22 LEU 28 HD22 LEU 28 6.645 -13.103 -6.351 95 HD23 LEU 28 HD23 LEU 28 6.559 -13.305 -4.585 96 H ALA 29 H ALA 29 5.148 -18.504 -7.510 97 HA ALA 29 HA ALA 29 3.254 -17.645 -9.584 98 HB1 ALA 29 HB1 ALA 29 4.616 -19.185 -10.738 99 HB2 ALA 29 HB2 ALA 29 4.803 -20.232 -9.311 100 HB3 ALA 29 HB3 ALA 29 3.248 -20.175 -10.177 101 H GLU 30 H GLU 30 1.120 -18.753 -9.408 102 HA GLU 30 HA GLU 30 0.635 -20.106 -6.938 103 HB2 GLU 30 HB2 GLU 30 -1.234 -18.462 -6.324 104 HB3 GLU 30 HB3 GLU 30 0.404 -17.910 -6.039 105 HG2 GLU 30 HG2 GLU 30 -0.894 -17.306 -8.705 106 HG3 GLU 30 HG3 GLU 30 -1.354 -16.355 -7.307 107 HE2 GLU 30 HE2 GLU 30 1.148 -14.369 -8.393 108 H CYS 31 H CYS 31 -1.303 -21.357 -7.008 109 HA CYS 31 HA CYS 31 -2.132 -22.140 -9.512 110 HB2 CYS 31 HB2 CYS 31 -2.519 -23.023 -6.917 111 HB3 CYS 31 HB3 CYS 31 -4.138 -22.560 -7.404 112 H GLU 32 H GLU 32 -3.425 -21.113 -10.999 113 HA GLU 32 HA GLU 32 -4.779 -18.744 -10.184 114 HB2 GLU 32 HB2 GLU 32 -5.264 -18.468 -12.577 115 HB3 GLU 32 HB3 GLU 32 -3.577 -18.882 -12.350 116 HG2 GLU 32 HG2 GLU 32 -4.156 -21.305 -12.814 117 HG3 GLU 32 HG3 GLU 32 -5.804 -20.813 -13.152 118 HE2 GLU 32 HE2 GLU 32 -5.079 -18.824 -15.762 119 H VAL 33 H VAL 33 -5.529 -21.949 -9.836 120 HA VAL 33 HA VAL 33 -8.372 -21.530 -10.436 121 HB VAL 33 HB VAL 33 -8.116 -23.467 -11.484 122 HG11 VAL 33 HG11 VAL 33 -6.107 -24.950 -11.207 123 HG12 VAL 33 HG12 VAL 33 -5.728 -23.269 -11.657 124 HG13 VAL 33 HG13 VAL 33 -5.506 -23.812 -9.977 125 HG21 VAL 33 HG21 VAL 33 -7.940 -24.355 -8.606 126 HG22 VAL 33 HG22 VAL 33 -9.316 -24.446 -9.731 127 HG23 VAL 33 HG23 VAL 33 -7.925 -25.536 -9.937 128 H HIS 34 H HIS 34 -6.049 -21.441 -7.957 129 HA HIS 34 HA HIS 34 -8.179 -21.840 -5.995 130 HB2 HIS 34 HB2 HIS 34 -5.370 -22.567 -5.271 131 HB3 HIS 34 HB3 HIS 34 -6.884 -23.145 -4.604 132 HD1 HIS 34 HD1 HIS 34 -5.618 -23.252 -8.230 133 HD2 HIS 34 HD2 HIS 34 -6.902 -25.816 -5.167 134 HE1 HIS 34 HE1 HIS 34 -5.650 -25.600 -9.229 135 H GLU 35 H GLU 35 -8.621 -19.738 -5.454 136 HA GLU 35 HA GLU 35 -6.569 -17.801 -5.434 137 HB2 GLU 35 HB2 GLU 35 -9.177 -17.574 -5.824 138 HB3 GLU 35 HB3 GLU 35 -9.247 -17.418 -4.080 139 HG2 GLU 35 HG2 GLU 35 -9.058 -15.180 -4.958 140 HG3 GLU 35 HG3 GLU 35 -7.504 -15.565 -4.246 141 HE2 GLU 35 HE2 GLU 35 -5.649 -15.570 -6.751 142 H GLY 36 H GLY 36 -5.309 -17.058 -3.742 143 HA2 GLY 36 HA2 GLY 36 -5.037 -16.578 -1.429 144 HA3 GLY 36 HA3 GLY 36 -6.004 -17.984 -1.029 145 H THR 37 H THR 37 -4.722 -19.738 -3.092 146 HA THR 37 HA THR 37 -2.423 -20.473 -1.500 147 HB THR 37 HB THR 37 -2.612 -22.240 -3.636 148 HG1 THR 37 HG1 THR 37 -4.472 -21.062 -4.442 149 HG21 THR 37 HG21 THR 37 -2.744 -23.197 -1.454 150 HG22 THR 37 HG22 THR 37 -4.063 -22.108 -0.964 151 HG23 THR 37 HG23 THR 37 -4.385 -23.440 -2.099 152 H TYR 38 H TYR 38 -0.301 -20.245 -1.981 153 HA TYR 38 HA TYR 38 0.374 -19.352 -4.678 154 HB2 TYR 38 HB2 TYR 38 0.728 -17.984 -1.972 155 HB3 TYR 38 HB3 TYR 38 1.972 -17.739 -3.182 156 HD1 TYR 38 HD1 TYR 38 -1.645 -17.261 -2.472 157 HD2 TYR 38 HD2 TYR 38 1.648 -16.231 -5.002 158 HE1 TYR 38 HE1 TYR 38 -3.026 -15.404 -3.526 159 HE2 TYR 38 HE2 TYR 38 0.256 -14.377 -6.047 160 HH TYR 38 HH TYR 38 -3.151 -14.042 -5.299 161 H PHE 39 H PHE 39 2.938 -19.154 -4.780 162 HA PHE 39 HA PHE 39 4.439 -20.694 -2.985 163 HB2 PHE 39 HB2 PHE 39 4.685 -22.734 -4.322 164 HB3 PHE 39 HB3 PHE 39 2.962 -22.452 -4.172 165 HD1 PHE 39 HD1 PHE 39 1.655 -21.678 -6.093 166 HD2 PHE 39 HD2 PHE 39 5.803 -22.498 -6.453 167 HE1 PHE 39 HE1 PHE 39 1.430 -21.718 -8.593 168 HE2 PHE 39 HE2 PHE 39 5.578 -22.538 -8.953 169 HZ PHE 39 HZ PHE 39 3.395 -22.148 -9.993 170 H SER 40 H SER 40 6.326 -19.581 -3.135 171 HA SER 40 HA SER 40 6.998 -18.426 -5.682 172 HB2 SER 40 HB2 SER 40 8.808 -17.284 -4.388 173 HB3 SER 40 HB3 SER 40 7.215 -17.002 -3.715 174 HG SER 40 HG SER 40 8.324 -19.269 -2.603 175 H ASP 41 H ASP 41 9.087 -18.794 -6.738 176 HA ASP 41 HA ASP 41 9.781 -21.293 -7.168 177 HB2 ASP 41 HB2 ASP 41 10.890 -18.763 -7.714 178 HB3 ASP 41 HB3 ASP 41 12.209 -19.629 -6.953 179 HD2 ASP 41 HD2 ASP 41 11.935 -22.119 -8.032 180 H SER 42 H SER 42 9.941 -22.767 -5.407 181 HA SER 42 HA SER 42 11.312 -22.074 -3.052 182 HB2 SER 42 HB2 SER 42 11.120 -24.711 -2.760 183 HB3 SER 42 HB3 SER 42 9.702 -23.690 -2.639 184 HG SER 42 HG SER 42 10.565 -25.047 -5.051 185 H GLY 43 H GLY 43 13.423 -22.623 -2.365 186 HA2 GLY 43 HA2 GLY 43 15.376 -23.979 -2.584 187 HA3 GLY 43 HA3 GLY 43 15.097 -24.081 -4.312 188 H ASP 44 H ASP 44 14.273 -21.123 -4.388 189 HA ASP 44 HA ASP 44 16.827 -19.912 -3.774 190 HB2 ASP 44 HB2 ASP 44 15.453 -19.609 -6.483 191 HB3 ASP 44 HB3 ASP 44 16.975 -18.883 -6.008 192 HD2 ASP 44 HD2 ASP 44 17.866 -22.274 -5.313 193 H ILE 45 H ILE 45 15.561 -18.782 -2.100 194 HA ILE 45 HA ILE 45 13.188 -17.387 -2.775 195 HB ILE 45 HB ILE 45 14.982 -17.630 -0.411 196 HG12 ILE 45 HG12 ILE 45 12.908 -19.085 -1.102 197 HG13 ILE 45 HG13 ILE 45 13.192 -18.664 0.576 198 HG21 ILE 45 HG21 ILE 45 13.209 -15.290 -0.983 199 HG22 ILE 45 HG22 ILE 45 13.278 -15.935 0.675 200 HG23 ILE 45 HG23 ILE 45 14.765 -15.369 -0.123 201 HD11 ILE 45 HD11 ILE 45 10.830 -18.208 -0.785 202 HD12 ILE 45 HD12 ILE 45 11.328 -17.349 0.693 203 HD13 ILE 45 HD13 ILE 45 11.630 -16.622 -0.904 204 H SER 46 H SER 46 16.638 -16.730 -3.014 205 HA SER 46 HA SER 46 16.387 -13.933 -3.035 206 HB2 SER 46 HB2 SER 46 18.512 -15.947 -3.650 207 HB3 SER 46 HB3 SER 46 18.708 -14.377 -4.403 208 HG SER 46 HG SER 46 18.069 -14.497 -1.613 209 H GLU 47 H GLU 47 15.978 -16.523 -5.413 210 HA GLU 47 HA GLU 47 16.401 -15.079 -7.718 211 HB2 GLU 47 HB2 GLU 47 15.064 -17.607 -6.948 212 HB3 GLU 47 HB3 GLU 47 14.395 -16.880 -8.396 213 HG2 GLU 47 HG2 GLU 47 16.940 -16.591 -9.100 214 HG3 GLU 47 HG3 GLU 47 17.229 -17.828 -7.893 215 HE2 GLU 47 HE2 GLU 47 15.529 -17.084 -10.701 216 H ALA 48 H ALA 48 13.737 -15.055 -5.404 217 HA ALA 48 HA ALA 48 11.772 -13.991 -7.127 218 HB1 ALA 48 HB1 ALA 48 10.700 -14.724 -5.273 219 HB2 ALA 48 HB2 ALA 48 12.156 -14.567 -4.261 220 HB3 ALA 48 HB3 ALA 48 11.130 -13.146 -4.570 221 H GLU 49 H GLU 49 14.102 -12.510 -4.774 222 HA GLU 49 HA GLU 49 13.263 -9.917 -5.168 223 HB2 GLU 49 HB2 GLU 49 14.951 -9.409 -3.716 224 HB3 GLU 49 HB3 GLU 49 15.078 -11.148 -3.541 225 HG2 GLU 49 HG2 GLU 49 16.777 -11.163 -5.424 226 HG3 GLU 49 HG3 GLU 49 16.704 -9.413 -5.459 227 HE2 GLU 49 HE2 GLU 49 18.817 -8.771 -3.825 228 H GLU 50 H GLU 50 15.676 -11.931 -6.926 229 HA GLU 50 HA GLU 50 16.598 -9.804 -8.506 230 HB2 GLU 50 HB2 GLU 50 18.113 -11.343 -9.200 231 HB3 GLU 50 HB3 GLU 50 17.397 -12.411 -8.010 232 HG2 GLU 50 HG2 GLU 50 15.753 -13.197 -9.771 233 HG3 GLU 50 HG3 GLU 50 16.588 -12.203 -10.949 234 HE2 GLU 50 HE2 GLU 50 19.574 -13.709 -9.885 235 H LEU 51 H LEU 51 13.981 -12.229 -8.802 236 HA LEU 51 HA LEU 51 13.433 -11.895 -11.503 237 HB2 LEU 51 HB2 LEU 51 11.975 -12.879 -9.107 238 HB3 LEU 51 HB3 LEU 51 11.019 -12.493 -10.524 239 HG LEU 51 HG LEU 51 13.343 -14.439 -10.457 240 HD11 LEU 51 HD11 LEU 51 11.859 -16.197 -10.305 241 HD12 LEU 51 HD12 LEU 51 11.098 -14.991 -9.240 242 HD13 LEU 51 HD13 LEU 51 10.482 -15.234 -10.893 243 HD21 LEU 51 HD21 LEU 51 11.477 -13.586 -12.675 244 HD22 LEU 51 HD22 LEU 51 13.256 -13.554 -12.643 245 HD23 LEU 51 HD23 LEU 51 12.395 -15.110 -12.716 246 H ALA 52 H ALA 52 12.042 -10.204 -8.608 247 HA ALA 52 HA ALA 52 10.437 -8.479 -10.143 248 HB1 ALA 52 HB1 ALA 52 10.608 -7.138 -7.879 249 HB2 ALA 52 HB2 ALA 52 9.774 -8.710 -7.921 250 HB3 ALA 52 HB3 ALA 52 11.440 -8.603 -7.303 251 H ARG 53 H ARG 53 13.824 -8.377 -8.989 252 HA ARG 53 HA ARG 53 14.318 -5.732 -9.328 253 HB2 ARG 53 HB2 ARG 53 15.881 -7.556 -8.421 254 HB3 ARG 53 HB3 ARG 53 16.247 -7.982 -10.081 255 HG2 ARG 53 HG2 ARG 53 16.951 -5.553 -10.462 256 HG3 ARG 53 HG3 ARG 53 16.760 -5.288 -8.740 257 HD2 ARG 53 HD2 ARG 53 18.432 -7.652 -9.535 258 HD3 ARG 53 HD3 ARG 53 19.115 -6.074 -9.874 259 HE ARG 53 HE ARG 53 18.242 -5.796 -7.272 260 HH11 ARG 53 HH22 ARG 53 20.262 -8.181 -8.889 261 HH12 ARG 53 HH21 ARG 53 21.189 -8.545 -7.472 262 HH21 ARG 53 HH12 ARG 53 19.464 -6.277 -5.402 263 HH22 ARG 53 HH11 ARG 53 20.731 -7.455 -5.475 264 H GLU 54 H GLU 54 14.451 -8.420 -11.753 265 HA GLU 54 HA GLU 54 15.241 -6.645 -13.823 266 HB2 GLU 54 HB2 GLU 54 15.792 -9.145 -13.647 267 HB3 GLU 54 HB3 GLU 54 14.135 -9.468 -14.116 268 HG2 GLU 54 HG2 GLU 54 15.176 -9.495 -16.206 269 HG3 GLU 54 HG3 GLU 54 14.669 -7.820 -16.129 270 HE2 GLU 54 HE2 GLU 54 17.920 -7.502 -14.435 271 H LYS 55 H LYS 55 12.207 -8.329 -12.814 272 HA LYS 55 HA LYS 55 10.601 -7.693 -14.926 273 HB2 LYS 55 HB2 LYS 55 10.260 -8.435 -12.113 274 HB3 LYS 55 HB3 LYS 55 8.945 -7.443 -12.711 275 HG2 LYS 55 HG2 LYS 55 8.150 -9.480 -13.446 276 HG3 LYS 55 HG3 LYS 55 9.155 -9.108 -14.832 277 HD2 LYS 55 HD2 LYS 55 10.292 -10.605 -12.441 278 HD3 LYS 55 HD3 LYS 55 9.416 -11.455 -13.698 279 HE2 LYS 55 HE2 LYS 55 11.039 -10.218 -15.362 280 HE3 LYS 55 HE3 LYS 55 12.019 -9.908 -13.943 281 HZ1 LYS 55 HZ1 LYS 55 12.431 -12.117 -13.665 282 HZ2 LYS 55 HZ2 LYS 55 11.079 -12.616 -14.434 283 HZ3 LYS 55 HZ3 LYS 55 12.346 -12.051 -15.295 284 H PHE 56 H PHE 56 11.209 -5.695 -11.954 285 HA PHE 56 HA PHE 56 9.708 -3.518 -12.975 286 HB2 PHE 56 HB2 PHE 56 10.156 -2.710 -10.819 287 HB3 PHE 56 HB3 PHE 56 10.648 -4.368 -10.534 288 HD1 PHE 56 HD2 PHE 56 12.131 -1.221 -11.908 289 HD2 PHE 56 HD1 PHE 56 12.683 -4.680 -9.513 290 HE1 PHE 56 HE2 PHE 56 14.437 -0.434 -11.303 291 HE2 PHE 56 HE1 PHE 56 14.989 -3.894 -8.908 292 HZ PHE 56 HZ PHE 56 15.838 -1.780 -9.810 293 H GLU 57 H GLU 57 13.209 -4.375 -12.828 294 HA GLU 57 HA GLU 57 14.118 -1.906 -13.710 295 HB2 GLU 57 HB2 GLU 57 15.635 -3.467 -12.648 296 HB3 GLU 57 HB3 GLU 57 15.315 -4.701 -13.850 297 HG2 GLU 57 HG2 GLU 57 16.438 -3.434 -15.588 298 HG3 GLU 57 HG3 GLU 57 16.510 -1.996 -14.589 299 HE2 GLU 57 HE2 GLU 57 19.053 -4.169 -15.369 300 H LYS 58 H LYS 58 12.262 -4.280 -15.316 301 HA LYS 58 HA LYS 58 13.405 -3.885 -17.920 302 HB2 LYS 58 HB2 LYS 58 12.196 -5.981 -16.942 303 HB3 LYS 58 HB3 LYS 58 10.722 -5.135 -17.367 304 HG2 LYS 58 HG2 LYS 58 11.126 -5.270 -19.658 305 HG3 LYS 58 HG3 LYS 58 12.868 -5.230 -19.468 306 HD2 LYS 58 HD2 LYS 58 12.612 -7.591 -18.370 307 HD3 LYS 58 HD3 LYS 58 10.997 -7.591 -19.049 308 HE2 LYS 58 HE2 LYS 58 12.215 -8.615 -20.773 309 HE3 LYS 58 HE3 LYS 58 12.206 -6.947 -21.309 310 HZ1 LYS 58 HZ1 LYS 58 14.358 -7.097 -19.689 311 HZ2 LYS 58 HZ2 LYS 58 14.391 -8.535 -20.461 312 HZ3 LYS 58 HZ3 LYS 58 14.392 -7.147 -21.321 313 H GLY 59 H GLY 59 11.282 -2.168 -15.815 314 HA2 GLY 59 HA2 GLY 59 10.621 -0.339 -18.001 315 HA3 GLY 59 HA3 GLY 59 9.289 -1.055 -17.114 316 H GLU 60 H GLU 60 8.500 0.246 -15.526 317 HA GLU 60 HA GLU 60 10.476 1.799 -14.047 318 HB2 GLU 60 HB2 GLU 60 7.650 2.747 -14.671 319 HB3 GLU 60 HB3 GLU 60 8.939 3.677 -13.936 320 HG2 GLU 60 HG2 GLU 60 10.262 3.581 -16.015 321 HG3 GLU 60 HG3 GLU 60 9.087 2.512 -16.755 322 HE2 GLU 60 HE2 GLU 60 7.458 5.987 -15.780 323 H VAL 61 H VAL 61 9.351 2.652 -11.870 324 HA VAL 61 HA VAL 61 7.325 0.932 -10.831 325 HB VAL 61 HB VAL 61 9.270 0.437 -8.947 326 HG11 VAL 61 HG11 VAL 61 7.433 -1.039 -9.939 327 HG12 VAL 61 HG12 VAL 61 8.615 -1.480 -11.195 328 HG13 VAL 61 HG13 VAL 61 8.955 -1.844 -9.486 329 HG21 VAL 61 HG21 VAL 61 11.007 1.222 -10.553 330 HG22 VAL 61 HG22 VAL 61 11.201 -0.483 -10.080 331 HG23 VAL 61 HG23 VAL 61 10.512 -0.073 -11.670 332 H SER 62 H SER 62 7.363 1.384 -8.215 333 HA SER 62 HA SER 62 7.459 4.281 -8.111 334 HB2 SER 62 HB2 SER 62 5.989 2.204 -6.438 335 HB3 SER 62 HB3 SER 62 6.031 3.902 -6.006 336 HG SER 62 HG SER 62 4.271 2.795 -7.587 337 H ASN 63 H ASN 63 8.753 1.292 -6.678 338 HA ASN 63 HA ASN 63 10.050 2.808 -4.598 339 HB2 ASN 63 HB2 ASN 63 10.454 -0.161 -5.133 340 HB3 ASN 63 HB3 ASN 63 10.576 0.686 -3.604 341 HD21 ASN 63 HD21 ASN 63 8.231 2.292 -3.918 342 HD22 ASN 63 HD22 ASN 63 6.841 1.277 -3.728 343 H PHE 64 H PHE 64 10.645 2.906 -7.649 344 HA PHE 64 HA PHE 64 12.977 1.555 -8.244 345 HB2 PHE 64 HB2 PHE 64 12.901 2.981 -10.140 346 HB3 PHE 64 HB3 PHE 64 11.258 3.161 -9.560 347 HD1 PHE 64 HD2 PHE 64 11.048 5.088 -7.666 348 HD2 PHE 64 HD1 PHE 64 14.004 4.916 -10.705 349 HE1 PHE 64 HE2 PHE 64 11.387 7.567 -7.476 350 HE2 PHE 64 HE1 PHE 64 14.344 7.396 -10.515 351 HZ PHE 64 HZ PHE 64 13.031 8.692 -8.902 352 H ASP 65 H ASP 65 12.443 4.110 -5.964 353 HA ASP 65 HA ASP 65 14.528 5.709 -6.042 354 HB2 ASP 65 HB2 ASP 65 12.740 5.397 -4.196 355 HB3 ASP 65 HB3 ASP 65 13.812 4.205 -3.488 356 HD2 ASP 65 HD2 ASP 65 14.779 6.484 -1.489 357 H ASP 66 H ASP 66 14.533 2.386 -4.537 358 HA ASP 66 HA ASP 66 17.377 2.277 -5.121 359 HB2 ASP 66 HB2 ASP 66 15.990 1.489 -2.520 360 HB3 ASP 66 HB3 ASP 66 17.614 0.968 -2.922 361 HD2 ASP 66 HD2 ASP 66 19.084 2.533 -3.245 362 H VAL 67 H VAL 67 17.571 0.540 -6.543 363 HA VAL 67 HA VAL 67 15.589 -1.309 -7.033 364 HB VAL 67 HB VAL 67 17.238 -0.948 -8.652 365 HG11 VAL 67 HG11 VAL 67 19.133 -0.098 -7.671 366 HG12 VAL 67 HG12 VAL 67 19.166 -1.338 -6.394 367 HG13 VAL 67 HG13 VAL 67 19.695 -1.745 -8.043 368 HG21 VAL 67 HG21 VAL 67 17.437 -3.078 -9.341 369 HG22 VAL 67 HG22 VAL 67 18.401 -3.545 -7.920 370 HG23 VAL 67 HG23 VAL 67 16.625 -3.504 -7.816 371 H GLU 68 H GLU 68 18.280 -1.339 -4.665 372 HA GLU 68 HA GLU 68 17.969 -4.033 -3.990 373 HB2 GLU 68 HB2 GLU 68 19.140 -1.707 -2.400 374 HB3 GLU 68 HB3 GLU 68 19.315 -3.394 -1.958 375 HG2 GLU 68 HG2 GLU 68 20.445 -1.962 -4.386 376 HG3 GLU 68 HG3 GLU 68 21.312 -2.865 -3.159 377 HE2 GLU 68 HE2 GLU 68 20.541 -5.064 -3.001 378 H GLU 69 H GLU 69 16.288 -1.058 -3.077 379 HA GLU 69 HA GLU 69 15.184 -2.105 -0.705 380 HB2 GLU 69 HB2 GLU 69 15.402 0.308 -1.020 381 HB3 GLU 69 HB3 GLU 69 14.406 0.261 -2.461 382 HG2 GLU 69 HG2 GLU 69 12.821 0.922 -0.880 383 HG3 GLU 69 HG3 GLU 69 12.593 -0.815 -0.845 384 HE2 GLU 69 HE2 GLU 69 14.708 -0.866 2.186 385 H LEU 70 H LEU 70 14.077 -1.775 -4.126 386 HA LEU 70 HA LEU 70 11.474 -2.703 -3.676 387 HB2 LEU 70 HB2 LEU 70 11.994 -1.469 -5.635 388 HB3 LEU 70 HB3 LEU 70 13.250 -2.596 -6.107 389 HG LEU 70 HG LEU 70 10.496 -3.701 -5.857 390 HD11 LEU 70 HD11 LEU 70 10.245 -2.887 -8.367 391 HD12 LEU 70 HD12 LEU 70 9.681 -1.900 -6.996 392 HD13 LEU 70 HD13 LEU 70 11.241 -1.536 -7.773 393 HD21 LEU 70 HD21 LEU 70 12.062 -5.280 -6.538 394 HD22 LEU 70 HD22 LEU 70 11.307 -4.767 -8.067 395 HD23 LEU 70 HD23 LEU 70 12.906 -4.135 -7.607 396 H VAL 71 H VAL 71 14.453 -4.417 -4.853 397 HA VAL 71 HA VAL 71 13.331 -6.921 -5.056 398 HB VAL 71 HB VAL 71 15.652 -7.729 -4.787 399 HG11 VAL 71 HG11 VAL 71 15.499 -5.235 -6.511 400 HG12 VAL 71 HG12 VAL 71 16.536 -6.661 -6.758 401 HG13 VAL 71 HG13 VAL 71 14.771 -6.802 -6.941 402 HG21 VAL 71 HG21 VAL 71 17.443 -5.928 -4.566 403 HG22 VAL 71 HG22 VAL 71 16.154 -4.860 -3.960 404 HG23 VAL 71 HG23 VAL 71 16.558 -6.354 -3.081 405 H LYS 72 H LYS 72 14.807 -5.269 -2.200 406 HA LYS 72 HA LYS 72 14.640 -7.433 -0.467 407 HB2 LYS 72 HB2 LYS 72 16.003 -5.570 0.101 408 HB3 LYS 72 HB3 LYS 72 14.670 -4.441 -0.037 409 HG2 LYS 72 HG2 LYS 72 13.524 -5.720 1.873 410 HG3 LYS 72 HG3 LYS 72 15.018 -6.611 2.080 411 HD2 LYS 72 HD2 LYS 72 16.253 -4.493 2.494 412 HD3 LYS 72 HD3 LYS 72 14.791 -3.567 2.219 413 HE2 LYS 72 HE2 LYS 72 13.698 -4.680 4.162 414 HE3 LYS 72 HE3 LYS 72 15.129 -5.658 4.423 415 HZ1 LYS 72 HZ1 LYS 72 14.643 -3.052 5.275 416 HZ2 LYS 72 HZ2 LYS 72 15.925 -4.006 5.612 417 HZ3 LYS 72 HZ3 LYS 72 15.954 -3.032 4.301 418 H LYS 73 H LYS 73 12.229 -4.978 -1.475 419 HA LYS 73 HA LYS 73 10.317 -5.770 0.466 420 HB2 LYS 73 HB2 LYS 73 10.481 -3.888 -1.813 421 HB3 LYS 73 HB3 LYS 73 8.878 -4.514 -1.484 422 HG2 LYS 73 HG2 LYS 73 9.376 -2.418 -0.198 423 HG3 LYS 73 HG3 LYS 73 8.985 -3.771 0.845 424 HD2 LYS 73 HD2 LYS 73 11.556 -4.195 0.967 425 HD3 LYS 73 HD3 LYS 73 11.734 -2.598 0.267 426 HE2 LYS 73 HE2 LYS 73 11.790 -2.078 2.548 427 HE3 LYS 73 HE3 LYS 73 10.086 -1.850 2.207 428 HZ1 LYS 73 HZ1 LYS 73 9.840 -4.242 2.871 429 HZ2 LYS 73 HZ2 LYS 73 11.360 -4.167 3.464 430 HZ3 LYS 73 HZ3 LYS 73 10.195 -3.199 4.076 431 H VAL 74 H VAL 74 11.308 -6.907 -2.732 432 HA VAL 74 HA VAL 74 8.925 -8.314 -3.306 433 HB VAL 74 HB VAL 74 11.770 -8.599 -4.287 434 HG11 VAL 74 HG11 VAL 74 9.333 -9.657 -5.719 435 HG12 VAL 74 HG12 VAL 74 11.049 -10.047 -5.982 436 HG13 VAL 74 HG13 VAL 74 10.212 -10.648 -4.531 437 HG21 VAL 74 HG21 VAL 74 9.553 -7.470 -5.945 438 HG22 VAL 74 HG22 VAL 74 10.233 -6.454 -4.651 439 HG23 VAL 74 HG23 VAL 74 11.291 -7.083 -5.936 440 H VAL 75 H VAL 75 12.153 -9.319 -1.978 441 HA VAL 75 HA VAL 75 11.398 -11.982 -1.559 442 HB VAL 75 HB VAL 75 13.701 -11.171 -1.712 443 HG11 VAL 75 HG11 VAL 75 13.198 -9.930 1.015 444 HG12 VAL 75 HG12 VAL 75 14.767 -10.019 0.179 445 HG13 VAL 75 HG13 VAL 75 13.445 -9.046 -0.510 446 HG21 VAL 75 HG21 VAL 75 13.968 -12.241 0.962 447 HG22 VAL 75 HG22 VAL 75 12.683 -13.097 0.076 448 HG23 VAL 75 HG23 VAL 75 14.324 -13.006 -0.606 449 H ALA 76 H ALA 76 11.000 -8.987 0.341 450 HA ALA 76 HA ALA 76 10.407 -10.155 2.795 451 HB1 ALA 76 HB1 ALA 76 10.382 -7.567 1.552 452 HB2 ALA 76 HB2 ALA 76 8.839 -7.791 2.412 453 HB3 ALA 76 HB3 ALA 76 10.379 -7.965 3.287 454 H VAL 77 H VAL 77 8.190 -9.068 0.124 455 HA VAL 77 HA VAL 77 5.874 -10.032 1.362 456 HB VAL 77 HB VAL 77 6.710 -8.931 -1.220 457 HG11 VAL 77 HG11 VAL 77 4.624 -11.090 -1.100 458 HG12 VAL 77 HG12 VAL 77 4.402 -9.713 -2.206 459 HG13 VAL 77 HG13 VAL 77 5.841 -10.750 -2.353 460 HG21 VAL 77 HG21 VAL 77 4.211 -8.713 0.490 461 HG22 VAL 77 HG22 VAL 77 5.573 -7.570 0.420 462 HG23 VAL 77 HG23 VAL 77 4.508 -7.772 -0.992 463 H CYS 78 H CYS 78 8.342 -11.539 -0.746 464 HA CYS 78 HA CYS 78 6.955 -13.795 -1.476 465 HB2 CYS 78 HB2 CYS 78 9.864 -13.159 -1.105 466 HB3 CYS 78 HB3 CYS 78 9.395 -14.826 -1.375 467 HG CYS 78 HG CYS 78 9.594 -12.323 -3.311 468 H GLU 79 H GLU 79 9.034 -13.144 1.433 469 HA GLU 79 HA GLU 79 8.488 -15.678 2.541 470 HB2 GLU 79 HB2 GLU 79 9.886 -13.167 3.430 471 HB3 GLU 79 HB3 GLU 79 9.423 -14.318 4.668 472 HG2 GLU 79 HG2 GLU 79 10.874 -15.970 3.889 473 HG3 GLU 79 HG3 GLU 79 10.775 -15.431 2.224 474 HE2 GLU 79 HE2 GLU 79 14.022 -14.492 3.672 475 H GLU 80 H GLU 80 6.956 -12.489 2.623 476 HA GLU 80 HA GLU 80 5.491 -12.943 4.977 477 HB2 GLU 80 HB2 GLU 80 6.028 -10.700 3.812 478 HB3 GLU 80 HB3 GLU 80 4.715 -11.067 2.711 479 HG2 GLU 80 HG2 GLU 80 3.069 -10.856 4.365 480 HG3 GLU 80 HG3 GLU 80 4.159 -11.300 5.664 481 HE2 GLU 80 HE2 GLU 80 5.222 -8.158 3.789 482 H LEU 81 H LEU 81 5.206 -14.041 1.677 483 HA LEU 81 HA LEU 81 2.369 -14.548 1.896 484 HB2 LEU 81 HB2 LEU 81 4.444 -14.674 -0.222 485 HB3 LEU 81 HB3 LEU 81 3.097 -15.785 -0.369 486 HG LEU 81 HG LEU 81 3.011 -12.764 -0.314 487 HD11 LEU 81 HD11 LEU 81 1.629 -13.409 -2.483 488 HD12 LEU 81 HD12 LEU 81 3.405 -13.291 -2.498 489 HD13 LEU 81 HD13 LEU 81 2.620 -14.884 -2.379 490 HD21 LEU 81 HD21 LEU 81 0.433 -13.428 -0.761 491 HD22 LEU 81 HD22 LEU 81 0.894 -14.718 0.375 492 HD23 LEU 81 HD23 LEU 81 1.089 -13.011 0.841 493 H GLY 82 H GLY 82 5.381 -16.056 2.727 494 HA2 GLY 82 HA2 GLY 82 5.935 -18.234 3.149 495 HA3 GLY 82 HA3 GLY 82 4.557 -18.068 4.218 496 H ALA 83 H ALA 83 4.796 -18.291 0.597 497 HA ALA 83 HA ALA 83 3.079 -20.672 0.783 498 HB1 ALA 83 HB1 ALA 83 2.983 -18.950 -1.652 499 HB2 ALA 83 HB2 ALA 83 1.679 -19.833 -0.822 500 HB3 ALA 83 HB3 ALA 83 2.254 -18.279 -0.173 501 H GLU 84 H GLU 84 3.753 -22.468 -0.353 502 HA GLU 84 HA GLU 84 5.827 -22.080 -2.321 503 HB2 GLU 84 HB2 GLU 84 7.314 -23.753 -1.327 504 HB3 GLU 84 HB3 GLU 84 7.034 -22.460 -0.177 505 HG2 GLU 84 HG2 GLU 84 5.754 -23.794 1.240 506 HG3 GLU 84 HG3 GLU 84 5.134 -24.784 -0.066 507 HE2 GLU 84 HE2 GLU 84 8.205 -26.403 -0.492 508 H GLU 85 H GLU 85 2.867 -22.954 -1.995 509 HA GLU 85 HA GLU 85 2.772 -24.716 -4.038 510 HB2 GLU 85 HB2 GLU 85 3.740 -26.104 -1.803 511 HB3 GLU 85 HB3 GLU 85 2.037 -26.516 -1.825 512 HG2 GLU 85 HG2 GLU 85 2.174 -27.611 -3.879 513 HG3 GLU 85 HG3 GLU 85 3.476 -26.594 -4.463 514 HE2 GLU 85 HE2 GLU 85 4.977 -28.146 -1.504 515 H CYS 86 H CYS 86 0.529 -25.507 -4.448 516 HA CYS 86 HA CYS 86 -1.352 -23.858 -2.949 517 HB2 CYS 86 HB2 CYS 86 -1.584 -23.294 -5.191 518 HB3 CYS 86 HB3 CYS 86 -1.301 -24.929 -5.756 519 H PHE 87 H PHE 87 -1.607 -25.268 -1.109 520 HA PHE 87 HA PHE 87 -1.929 -27.998 -1.226 521 HB2 PHE 87 HB2 PHE 87 -1.586 -26.710 0.856 522 HB3 PHE 87 HB3 PHE 87 -3.039 -25.772 0.575 523 HD1 PHE 87 HD1 PHE 87 -5.254 -26.761 0.968 524 HD2 PHE 87 HD2 PHE 87 -1.699 -28.918 1.817 525 HE1 PHE 87 HE1 PHE 87 -6.570 -28.381 2.362 526 HE2 PHE 87 HE2 PHE 87 -3.015 -30.538 3.211 527 HZ PHE 87 HZ PHE 87 -5.435 -30.251 3.467 528 H SER 88 H SER 88 -4.198 -25.393 -2.015 529 HA SER 88 HA SER 88 -6.557 -26.749 -1.659 530 HB2 SER 88 HB2 SER 88 -5.837 -24.666 -3.769 531 HB3 SER 88 HB3 SER 88 -7.474 -25.138 -3.357 532 HG SER 88 HG SER 88 -7.363 -24.082 -1.442 533 H CYS 89 H CYS 89 -3.964 -27.353 -3.856 534 HA CYS 89 HA CYS 89 -5.268 -28.218 -6.117 535 HB2 CYS 89 HB2 CYS 89 -2.617 -28.686 -4.874 536 HB3 CYS 89 HB3 CYS 89 -3.137 -29.916 -6.009 537 H ASP 90 H ASP 90 -4.677 -29.775 -2.935 538 HA ASP 90 HA ASP 90 -5.970 -32.174 -3.905 539 HB2 ASP 90 HB2 ASP 90 -3.804 -32.067 -2.424 540 HB3 ASP 90 HB3 ASP 90 -4.893 -31.704 -1.100 541 HD2 ASP 90 HD2 ASP 90 -4.641 -33.670 -0.013 542 H PHE 91 H PHE 91 -7.327 -29.480 -3.390 543 HA PHE 91 HA PHE 91 -8.756 -29.721 -0.952 544 HB2 PHE 91 HB2 PHE 91 -8.271 -27.583 -2.214 545 HB3 PHE 91 HB3 PHE 91 -9.212 -28.170 -3.572 546 HD1 PHE 91 HD1 PHE 91 -9.506 -27.259 0.020 547 HD2 PHE 91 HD2 PHE 91 -11.502 -27.728 -3.695 548 HE1 PHE 91 HE1 PHE 91 -11.568 -26.210 0.995 549 HE2 PHE 91 HE2 PHE 91 -13.564 -26.679 -2.720 550 HZ PHE 91 HZ PHE 91 -13.572 -25.933 -0.386 551 H ASP 92 H ASP 92 -10.969 -30.280 -0.616 552 HA ASP 92 HA ASP 92 -11.933 -32.089 -2.663 553 HB2 ASP 92 HB2 ASP 92 -13.426 -32.950 -0.864 554 HB3 ASP 92 HB3 ASP 92 -11.737 -33.018 -0.399 555 HD2 ASP 92 HD2 ASP 92 -13.934 -32.816 1.615 Start of MODEL 3 1 H SER 16 H SER 16 -4.598 -4.007 -5.576 2 HA SER 16 HA SER 16 -2.324 -5.702 -5.647 3 HB2 SER 16 HB2 SER 16 -2.176 -5.124 -7.936 4 HB3 SER 16 HB3 SER 16 -3.895 -5.065 -7.601 5 HG SER 16 HG SER 16 -2.056 -2.902 -8.003 6 H GLU 17 H GLU 17 -0.125 -5.115 -5.505 7 HA GLU 17 HA GLU 17 0.372 -2.282 -5.059 8 HB2 GLU 17 HB2 GLU 17 1.554 -4.564 -3.414 9 HB3 GLU 17 HB3 GLU 17 1.956 -2.868 -3.233 10 HG2 GLU 17 HG2 GLU 17 -0.540 -2.435 -2.791 11 HG3 GLU 17 HG3 GLU 17 -0.756 -4.173 -2.731 12 HE2 GLU 17 HE2 GLU 17 -0.502 -3.366 0.534 13 H ALA 18 H ALA 18 2.766 -1.721 -5.336 14 HA ALA 18 HA ALA 18 3.665 -2.735 -7.786 15 HB1 ALA 18 HB1 ALA 18 4.744 -0.772 -7.620 16 HB2 ALA 18 HB2 ALA 18 4.330 -0.658 -5.892 17 HB3 ALA 18 HB3 ALA 18 5.817 -1.495 -6.398 18 H VAL 19 H VAL 19 4.211 -3.672 -4.407 19 HA VAL 19 HA VAL 19 6.522 -5.246 -5.002 20 HB VAL 19 HB VAL 19 6.614 -5.638 -2.755 21 HG11 VAL 19 HG11 VAL 19 6.250 -3.608 -1.644 22 HG12 VAL 19 HG12 VAL 19 6.379 -3.133 -3.354 23 HG13 VAL 19 HG13 VAL 19 4.780 -3.246 -2.581 24 HG21 VAL 19 HG21 VAL 19 4.715 -5.808 -1.233 25 HG22 VAL 19 HG22 VAL 19 3.598 -5.351 -2.542 26 HG23 VAL 19 HG23 VAL 19 4.487 -6.891 -2.628 27 H TYR 20 H TYR 20 3.013 -5.873 -4.356 28 HA TYR 20 HA TYR 20 3.204 -8.658 -4.613 29 HB2 TYR 20 HB2 TYR 20 1.204 -6.423 -4.554 30 HB3 TYR 20 HB3 TYR 20 0.636 -7.822 -5.445 31 HD1 TYR 20 HD1 TYR 20 2.583 -7.353 -2.259 32 HD2 TYR 20 HD2 TYR 20 -0.796 -9.133 -4.188 33 HE1 TYR 20 HE1 TYR 20 1.923 -8.481 -0.078 34 HE2 TYR 20 HE2 TYR 20 -1.444 -10.255 -2.001 35 HH TYR 20 HH TYR 20 0.484 -9.723 0.939 36 H ILE 21 H ILE 21 2.906 -6.011 -6.981 37 HA ILE 21 HA ILE 21 2.154 -7.771 -9.109 38 HB ILE 21 HB ILE 21 1.783 -5.171 -8.686 39 HG12 ILE 21 HG12 ILE 21 0.553 -6.274 -10.353 40 HG13 ILE 21 HG13 ILE 21 1.395 -4.986 -11.193 41 HG21 ILE 21 HG21 ILE 21 4.065 -4.465 -8.785 42 HG22 ILE 21 HG22 ILE 21 4.319 -5.305 -10.333 43 HG23 ILE 21 HG23 ILE 21 3.247 -3.886 -10.257 44 HD11 ILE 21 HD11 ILE 21 1.748 -6.872 -12.581 45 HD12 ILE 21 HD12 ILE 21 3.259 -6.766 -11.646 46 HD13 ILE 21 HD13 ILE 21 2.015 -7.956 -11.195 47 H ALA 22 H ALA 22 5.160 -6.218 -7.884 48 HA ALA 22 HA ALA 22 6.773 -7.049 -10.034 49 HB1 ALA 22 HB1 ALA 22 7.374 -5.219 -8.516 50 HB2 ALA 22 HB2 ALA 22 7.442 -6.353 -7.146 51 HB3 ALA 22 HB3 ALA 22 8.623 -6.487 -8.471 52 H ILE 23 H ILE 23 5.952 -8.484 -6.823 53 HA ILE 23 HA ILE 23 7.696 -10.683 -7.130 54 HB ILE 23 HB ILE 23 6.467 -11.605 -5.224 55 HG12 ILE 23 HG12 ILE 23 4.743 -9.796 -4.259 56 HG13 ILE 23 HG13 ILE 23 4.501 -9.486 -5.966 57 HG21 ILE 23 HG21 ILE 23 7.993 -9.234 -5.326 58 HG22 ILE 23 HG22 ILE 23 6.687 -8.946 -4.153 59 HG23 ILE 23 HG23 ILE 23 7.771 -10.343 -3.952 60 HD11 ILE 23 HD11 ILE 23 3.370 -11.585 -4.450 61 HD12 ILE 23 HD12 ILE 23 3.312 -11.399 -6.219 62 HD13 ILE 23 HD13 ILE 23 4.605 -12.364 -5.468 63 H GLU 24 H GLU 24 4.336 -9.973 -8.100 64 HA GLU 24 HA GLU 24 3.993 -12.709 -8.929 65 HB2 GLU 24 HB2 GLU 24 1.721 -12.252 -9.037 66 HB3 GLU 24 HB3 GLU 24 2.211 -11.066 -7.844 67 HG2 GLU 24 HG2 GLU 24 2.600 -9.498 -9.949 68 HG3 GLU 24 HG3 GLU 24 1.554 -10.639 -10.772 69 HE2 GLU 24 HE2 GLU 24 -0.700 -8.203 -9.456 70 H ALA 25 H ALA 25 5.550 -10.024 -10.144 71 HA ALA 25 HA ALA 25 4.594 -9.922 -12.789 72 HB1 ALA 25 HB1 ALA 25 5.885 -8.119 -11.729 73 HB2 ALA 25 HB2 ALA 25 7.296 -9.195 -11.585 74 HB3 ALA 25 HB3 ALA 25 6.715 -8.699 -13.192 75 H GLY 26 H GLY 26 6.197 -12.384 -11.058 76 HA2 GLY 26 HA2 GLY 26 6.282 -14.324 -12.832 77 HA3 GLY 26 HA3 GLY 26 7.665 -13.395 -13.377 78 H THR 27 H THR 27 7.827 -12.525 -10.291 79 HA THR 27 HA THR 27 9.949 -14.198 -9.633 80 HB THR 27 HB THR 27 8.351 -12.011 -8.455 81 HG1 THR 27 HG1 THR 27 10.469 -11.448 -8.783 82 HG21 THR 27 HG21 THR 27 7.933 -13.282 -6.497 83 HG22 THR 27 HG22 THR 27 9.390 -14.279 -6.724 84 HG23 THR 27 HG23 THR 27 9.541 -12.600 -6.154 85 H LEU 28 H LEU 28 6.497 -14.322 -8.552 86 HA LEU 28 HA LEU 28 6.979 -17.146 -7.951 87 HB2 LEU 28 HB2 LEU 28 5.454 -16.834 -5.961 88 HB3 LEU 28 HB3 LEU 28 7.100 -16.249 -5.817 89 HG LEU 28 HG LEU 28 6.049 -13.947 -6.543 90 HD11 LEU 28 HD11 LEU 28 3.848 -13.882 -6.787 91 HD12 LEU 28 HD12 LEU 28 3.717 -15.598 -6.335 92 HD13 LEU 28 HD13 LEU 28 3.657 -14.339 -5.078 93 HD21 LEU 28 HD21 LEU 28 5.432 -14.876 -3.743 94 HD22 LEU 28 HD22 LEU 28 7.106 -14.696 -4.320 95 HD23 LEU 28 HD23 LEU 28 6.016 -13.290 -4.303 96 H ALA 29 H ALA 29 4.648 -18.199 -7.522 97 HA ALA 29 HA ALA 29 2.725 -16.992 -9.363 98 HB1 ALA 29 HB1 ALA 29 4.239 -19.531 -9.707 99 HB2 ALA 29 HB2 ALA 29 2.488 -19.626 -10.012 100 HB3 ALA 29 HB3 ALA 29 3.488 -18.471 -10.924 101 H GLU 30 H GLU 30 0.520 -17.968 -9.093 102 HA GLU 30 HA GLU 30 0.184 -19.499 -6.690 103 HB2 GLU 30 HB2 GLU 30 -1.256 -17.925 -5.558 104 HB3 GLU 30 HB3 GLU 30 0.233 -17.086 -5.942 105 HG2 GLU 30 HG2 GLU 30 -2.163 -16.979 -7.815 106 HG3 GLU 30 HG3 GLU 30 -2.022 -15.878 -6.459 107 HE2 GLU 30 HE2 GLU 30 -0.999 -13.775 -8.011 108 H CYS 31 H CYS 31 -1.770 -20.701 -6.695 109 HA CYS 31 HA CYS 31 -2.858 -21.250 -9.163 110 HB2 CYS 31 HB2 CYS 31 -3.031 -22.329 -6.610 111 HB3 CYS 31 HB3 CYS 31 -4.675 -21.812 -6.928 112 H GLU 32 H GLU 32 -4.267 -20.081 -10.423 113 HA GLU 32 HA GLU 32 -5.465 -17.759 -9.283 114 HB2 GLU 32 HB2 GLU 32 -4.444 -17.855 -11.597 115 HB3 GLU 32 HB3 GLU 32 -5.761 -18.897 -12.097 116 HG2 GLU 32 HG2 GLU 32 -6.118 -16.448 -12.641 117 HG3 GLU 32 HG3 GLU 32 -7.410 -17.166 -11.699 118 HE2 GLU 32 HE2 GLU 32 -4.955 -15.518 -9.161 119 H VAL 33 H VAL 33 -6.270 -20.974 -9.163 120 HA VAL 33 HA VAL 33 -9.143 -20.442 -9.436 121 HB VAL 33 HB VAL 33 -9.048 -22.276 -10.678 122 HG11 VAL 33 HG11 VAL 33 -7.071 -23.801 -10.774 123 HG12 VAL 33 HG12 VAL 33 -6.668 -22.088 -11.044 124 HG13 VAL 33 HG13 VAL 33 -6.321 -22.848 -9.472 125 HG21 VAL 33 HG21 VAL 33 -10.094 -23.371 -8.880 126 HG22 VAL 33 HG22 VAL 33 -8.797 -24.485 -9.377 127 HG23 VAL 33 HG23 VAL 33 -8.587 -23.460 -7.936 128 H HIS 34 H HIS 34 -6.598 -20.616 -7.199 129 HA HIS 34 HA HIS 34 -8.534 -21.203 -5.085 130 HB2 HIS 34 HB2 HIS 34 -5.653 -21.948 -4.734 131 HB3 HIS 34 HB3 HIS 34 -7.076 -22.582 -3.931 132 HD1 HIS 34 HD1 HIS 34 -6.241 -22.421 -7.679 133 HD2 HIS 34 HD2 HIS 34 -7.194 -25.201 -4.685 134 HE1 HIS 34 HE1 HIS 34 -6.408 -24.690 -8.835 135 H GLU 35 H GLU 35 -8.948 -19.098 -4.457 136 HA GLU 35 HA GLU 35 -6.889 -17.179 -4.390 137 HB2 GLU 35 HB2 GLU 35 -9.758 -17.264 -3.410 138 HB3 GLU 35 HB3 GLU 35 -8.732 -15.895 -3.031 139 HG2 GLU 35 HG2 GLU 35 -9.834 -15.281 -5.058 140 HG3 GLU 35 HG3 GLU 35 -8.216 -15.738 -5.554 141 HE2 GLU 35 HE2 GLU 35 -9.289 -17.736 -7.815 142 H GLY 36 H GLY 36 -5.394 -16.788 -2.809 143 HA2 GLY 36 HA2 GLY 36 -4.976 -16.413 -0.473 144 HA3 GLY 36 HA3 GLY 36 -5.988 -17.792 -0.093 145 H THR 37 H THR 37 -4.853 -19.335 -2.493 146 HA THR 37 HA THR 37 -2.510 -20.320 -1.073 147 HB THR 37 HB THR 37 -3.029 -21.885 -3.368 148 HG1 THR 37 HG1 THR 37 -5.547 -21.521 -2.095 149 HG21 THR 37 HG21 THR 37 -4.504 -23.227 -1.620 150 HG22 THR 37 HG22 THR 37 -2.751 -23.089 -1.339 151 HG23 THR 37 HG23 THR 37 -3.880 -22.035 -0.454 152 H TYR 38 H TYR 38 -0.442 -20.014 -1.655 153 HA TYR 38 HA TYR 38 0.069 -19.088 -4.380 154 HB2 TYR 38 HB2 TYR 38 0.718 -17.805 -1.671 155 HB3 TYR 38 HB3 TYR 38 1.738 -17.467 -3.055 156 HD1 TYR 38 HD2 TYR 38 -1.825 -17.309 -1.927 157 HD2 TYR 38 HD1 TYR 38 1.173 -15.746 -4.549 158 HE1 TYR 38 HE2 TYR 38 -3.415 -15.465 -2.658 159 HE2 TYR 38 HE1 TYR 38 -0.427 -13.908 -5.272 160 HH TYR 38 HH TYR 38 -3.624 -13.608 -3.770 161 H PHE 39 H PHE 39 2.610 -18.930 -4.669 162 HA PHE 39 HA PHE 39 4.175 -20.573 -2.986 163 HB2 PHE 39 HB2 PHE 39 4.333 -22.518 -4.434 164 HB3 PHE 39 HB3 PHE 39 2.616 -22.186 -4.322 165 HD1 PHE 39 HD1 PHE 39 5.578 -21.903 -6.493 166 HD2 PHE 39 HD2 PHE 39 1.360 -21.513 -6.240 167 HE1 PHE 39 HE1 PHE 39 5.441 -21.764 -8.995 168 HE2 PHE 39 HE2 PHE 39 1.223 -21.374 -8.742 169 HZ PHE 39 HZ PHE 39 3.265 -21.501 -10.090 170 H SER 40 H SER 40 6.182 -19.701 -3.154 171 HA SER 40 HA SER 40 6.763 -18.267 -5.601 172 HB2 SER 40 HB2 SER 40 7.037 -17.021 -3.503 173 HB3 SER 40 HB3 SER 40 8.102 -18.257 -2.862 174 HG SER 40 HG SER 40 9.676 -17.730 -4.458 175 H ASP 41 H ASP 41 8.697 -18.675 -6.833 176 HA ASP 41 HA ASP 41 9.363 -21.161 -7.355 177 HB2 ASP 41 HB2 ASP 41 10.370 -18.658 -8.024 178 HB3 ASP 41 HB3 ASP 41 11.763 -19.404 -7.266 179 HD2 ASP 41 HD2 ASP 41 11.439 -22.151 -9.553 180 H SER 42 H SER 42 9.675 -22.670 -5.647 181 HA SER 42 HA SER 42 11.209 -22.015 -3.387 182 HB2 SER 42 HB2 SER 42 11.046 -24.598 -3.039 183 HB3 SER 42 HB3 SER 42 9.571 -23.652 -2.992 184 HG SER 42 HG SER 42 8.965 -25.173 -4.418 185 H GLY 43 H GLY 43 13.368 -22.566 -2.861 186 HA2 GLY 43 HA2 GLY 43 15.309 -23.904 -3.269 187 HA3 GLY 43 HA3 GLY 43 14.917 -23.926 -4.977 188 H ASP 44 H ASP 44 14.064 -20.966 -4.818 189 HA ASP 44 HA ASP 44 16.654 -19.771 -4.341 190 HB2 ASP 44 HB2 ASP 44 15.079 -19.259 -6.901 191 HB3 ASP 44 HB3 ASP 44 16.678 -18.656 -6.512 192 HD2 ASP 44 HD2 ASP 44 15.483 -22.187 -7.328 193 H ILE 45 H ILE 45 15.501 -18.765 -2.507 194 HA ILE 45 HA ILE 45 13.086 -17.342 -2.924 195 HB ILE 45 HB ILE 45 15.019 -17.779 -0.715 196 HG12 ILE 45 HG12 ILE 45 12.914 -19.149 -1.277 197 HG13 ILE 45 HG13 ILE 45 13.191 -18.693 0.392 198 HG21 ILE 45 HG21 ILE 45 13.388 -16.066 0.548 199 HG22 ILE 45 HG22 ILE 45 14.947 -15.584 -0.162 200 HG23 ILE 45 HG23 ILE 45 13.435 -15.288 -1.052 201 HD11 ILE 45 HD11 ILE 45 11.253 -17.524 0.461 202 HD12 ILE 45 HD12 ILE 45 11.719 -16.579 -0.973 203 HD13 ILE 45 HD13 ILE 45 10.891 -18.143 -1.168 204 H SER 46 H SER 46 16.560 -16.584 -3.115 205 HA SER 46 HA SER 46 16.201 -13.805 -3.078 206 HB2 SER 46 HB2 SER 46 18.447 -15.607 -4.060 207 HB3 SER 46 HB3 SER 46 18.556 -13.861 -4.154 208 HG SER 46 HG SER 46 18.235 -13.773 -1.825 209 H GLU 47 H GLU 47 15.838 -16.324 -5.514 210 HA GLU 47 HA GLU 47 16.303 -14.852 -7.789 211 HB2 GLU 47 HB2 GLU 47 16.041 -17.288 -7.813 212 HB3 GLU 47 HB3 GLU 47 14.375 -17.159 -7.285 213 HG2 GLU 47 HG2 GLU 47 14.158 -17.448 -9.619 214 HG3 GLU 47 HG3 GLU 47 14.001 -15.713 -9.431 215 HE2 GLU 47 HE2 GLU 47 16.416 -16.286 -12.067 216 H ALA 48 H ALA 48 13.627 -14.797 -5.495 217 HA ALA 48 HA ALA 48 11.674 -13.708 -7.200 218 HB1 ALA 48 HB1 ALA 48 12.125 -14.069 -4.269 219 HB2 ALA 48 HB2 ALA 48 10.941 -12.830 -4.752 220 HB3 ALA 48 HB3 ALA 48 10.727 -14.518 -5.275 221 H GLU 49 H GLU 49 14.077 -12.228 -4.923 222 HA GLU 49 HA GLU 49 13.264 -9.620 -5.447 223 HB2 GLU 49 HB2 GLU 49 14.872 -9.062 -3.920 224 HB3 GLU 49 HB3 GLU 49 14.918 -10.789 -3.628 225 HG2 GLU 49 HG2 GLU 49 16.729 -10.954 -5.433 226 HG3 GLU 49 HG3 GLU 49 16.761 -9.202 -5.472 227 HE2 GLU 49 HE2 GLU 49 19.112 -9.907 -4.584 228 H GLU 50 H GLU 50 15.477 -11.869 -7.092 229 HA GLU 50 HA GLU 50 16.797 -9.909 -8.596 230 HB2 GLU 50 HB2 GLU 50 17.491 -12.359 -8.126 231 HB3 GLU 50 HB3 GLU 50 16.397 -12.810 -9.418 232 HG2 GLU 50 HG2 GLU 50 17.707 -10.939 -10.790 233 HG3 GLU 50 HG3 GLU 50 18.947 -11.188 -9.577 234 HE2 GLU 50 HE2 GLU 50 17.004 -13.118 -11.839 235 H LEU 51 H LEU 51 14.173 -12.278 -9.467 236 HA LEU 51 HA LEU 51 13.738 -11.324 -12.023 237 HB2 LEU 51 HB2 LEU 51 11.762 -12.570 -10.106 238 HB3 LEU 51 HB3 LEU 51 11.558 -12.429 -11.840 239 HG LEU 51 HG LEU 51 13.887 -13.926 -10.635 240 HD11 LEU 51 HD11 LEU 51 11.070 -14.893 -11.115 241 HD12 LEU 51 HD12 LEU 51 12.466 -15.998 -11.128 242 HD13 LEU 51 HD13 LEU 51 12.084 -15.064 -9.662 243 HD21 LEU 51 HD21 LEU 51 13.052 -13.274 -13.301 244 HD22 LEU 51 HD22 LEU 51 14.501 -14.150 -12.753 245 HD23 LEU 51 HD23 LEU 51 12.994 -15.039 -13.078 246 H ALA 52 H ALA 52 12.598 -10.143 -8.846 247 HA ALA 52 HA ALA 52 10.709 -8.333 -9.954 248 HB1 ALA 52 HB1 ALA 52 11.801 -9.087 -7.311 249 HB2 ALA 52 HB2 ALA 52 11.326 -7.377 -7.448 250 HB3 ALA 52 HB3 ALA 52 10.139 -8.660 -7.783 251 H ARG 53 H ARG 53 14.167 -8.204 -8.989 252 HA ARG 53 HA ARG 53 14.473 -5.495 -9.054 253 HB2 ARG 53 HB2 ARG 53 16.148 -7.408 -8.412 254 HB3 ARG 53 HB3 ARG 53 16.586 -7.422 -10.108 255 HG2 ARG 53 HG2 ARG 53 17.152 -4.989 -9.988 256 HG3 ARG 53 HG3 ARG 53 16.703 -4.965 -8.294 257 HD2 ARG 53 HD2 ARG 53 19.190 -5.200 -8.663 258 HD3 ARG 53 HD3 ARG 53 18.507 -6.501 -7.708 259 HE ARG 53 HE ARG 53 18.569 -7.071 -10.586 260 HH11 ARG 53 HH22 ARG 53 20.357 -7.252 -7.561 261 HH12 ARG 53 HH21 ARG 53 21.392 -8.531 -8.101 262 HH21 ARG 53 HH12 ARG 53 19.935 -8.759 -11.299 263 HH22 ARG 53 HH11 ARG 53 21.151 -9.394 -10.242 264 H GLU 54 H GLU 54 14.799 -7.938 -11.716 265 HA GLU 54 HA GLU 54 15.387 -5.920 -13.622 266 HB2 GLU 54 HB2 GLU 54 16.119 -8.411 -13.633 267 HB3 GLU 54 HB3 GLU 54 14.511 -8.765 -14.232 268 HG2 GLU 54 HG2 GLU 54 15.941 -8.523 -16.166 269 HG3 GLU 54 HG3 GLU 54 14.910 -7.106 -16.116 270 HE2 GLU 54 HE2 GLU 54 16.151 -5.726 -16.946 271 H LYS 55 H LYS 55 12.535 -7.959 -12.748 272 HA LYS 55 HA LYS 55 10.850 -7.272 -14.787 273 HB2 LYS 55 HB2 LYS 55 10.401 -7.980 -11.893 274 HB3 LYS 55 HB3 LYS 55 9.048 -7.585 -12.934 275 HG2 LYS 55 HG2 LYS 55 11.124 -9.614 -13.826 276 HG3 LYS 55 HG3 LYS 55 9.828 -10.092 -12.747 277 HD2 LYS 55 HD2 LYS 55 8.127 -9.447 -14.366 278 HD3 LYS 55 HD3 LYS 55 9.310 -8.655 -15.387 279 HE2 LYS 55 HE2 LYS 55 10.316 -10.748 -16.036 280 HE3 LYS 55 HE3 LYS 55 9.516 -11.625 -14.747 281 HZ1 LYS 55 HZ1 LYS 55 7.690 -11.821 -15.964 282 HZ2 LYS 55 HZ2 LYS 55 7.706 -10.272 -16.481 283 HZ3 LYS 55 HZ3 LYS 55 8.604 -11.399 -17.250 284 H PHE 56 H PHE 56 11.298 -5.546 -11.623 285 HA PHE 56 HA PHE 56 9.585 -3.430 -12.402 286 HB2 PHE 56 HB2 PHE 56 9.942 -2.883 -10.163 287 HB3 PHE 56 HB3 PHE 56 10.734 -4.444 -10.079 288 HD1 PHE 56 HD1 PHE 56 11.598 -0.964 -11.152 289 HD2 PHE 56 HD2 PHE 56 12.804 -4.469 -9.086 290 HE1 PHE 56 HE1 PHE 56 13.744 0.160 -10.497 291 HE2 PHE 56 HE2 PHE 56 14.950 -3.344 -8.430 292 HZ PHE 56 HZ PHE 56 15.395 -1.043 -9.144 293 H GLU 57 H GLU 57 13.114 -4.045 -12.542 294 HA GLU 57 HA GLU 57 13.755 -1.375 -13.152 295 HB2 GLU 57 HB2 GLU 57 15.442 -2.818 -12.181 296 HB3 GLU 57 HB3 GLU 57 15.267 -3.998 -13.464 297 HG2 GLU 57 HG2 GLU 57 17.288 -2.379 -13.611 298 HG3 GLU 57 HG3 GLU 57 16.343 -2.613 -15.068 299 HE2 GLU 57 HE2 GLU 57 15.236 -0.002 -15.675 300 H LYS 58 H LYS 58 12.204 -3.860 -14.918 301 HA LYS 58 HA LYS 58 13.151 -2.797 -17.474 302 HB2 LYS 58 HB2 LYS 58 13.118 -5.324 -16.852 303 HB3 LYS 58 HB3 LYS 58 11.391 -5.219 -17.132 304 HG2 LYS 58 HG2 LYS 58 13.463 -4.271 -19.163 305 HG3 LYS 58 HG3 LYS 58 12.804 -5.895 -19.162 306 HD2 LYS 58 HD2 LYS 58 10.500 -4.333 -19.015 307 HD3 LYS 58 HD3 LYS 58 11.545 -3.350 -20.022 308 HE2 LYS 58 HE2 LYS 58 11.793 -5.083 -21.664 309 HE3 LYS 58 HE3 LYS 58 11.202 -6.321 -20.574 310 HZ1 LYS 58 HZ1 LYS 58 9.674 -4.224 -21.913 311 HZ2 LYS 58 HZ2 LYS 58 9.419 -5.837 -21.924 312 HZ3 LYS 58 HZ3 LYS 58 9.077 -4.965 -20.586 313 H GLY 59 H GLY 59 10.612 -2.563 -15.157 314 HA2 GLY 59 HA2 GLY 59 8.802 -1.448 -17.217 315 HA3 GLY 59 HA3 GLY 59 8.272 -2.236 -15.744 316 H GLU 60 H GLU 60 7.550 -0.831 -14.214 317 HA GLU 60 HA GLU 60 9.009 1.686 -14.003 318 HB2 GLU 60 HB2 GLU 60 6.705 1.912 -15.049 319 HB3 GLU 60 HB3 GLU 60 6.016 1.329 -13.548 320 HG2 GLU 60 HG2 GLU 60 6.772 3.239 -12.316 321 HG3 GLU 60 HG3 GLU 60 7.925 3.694 -13.555 322 HE2 GLU 60 HE2 GLU 60 4.719 2.832 -14.653 323 H VAL 61 H VAL 61 8.573 2.757 -11.742 324 HA VAL 61 HA VAL 61 7.922 0.897 -9.653 325 HB VAL 61 HB VAL 61 10.379 1.727 -8.750 326 HG11 VAL 61 HG11 VAL 61 9.249 -0.512 -8.549 327 HG12 VAL 61 HG12 VAL 61 9.854 -0.897 -10.178 328 HG13 VAL 61 HG13 VAL 61 11.001 -0.588 -8.853 329 HG21 VAL 61 HG21 VAL 61 10.792 0.812 -11.612 330 HG22 VAL 61 HG22 VAL 61 10.905 2.508 -11.083 331 HG23 VAL 61 HG23 VAL 61 12.034 1.296 -10.432 332 H SER 62 H SER 62 7.677 1.986 -7.581 333 HA SER 62 HA SER 62 7.406 4.856 -7.988 334 HB2 SER 62 HB2 SER 62 5.277 3.846 -7.484 335 HB3 SER 62 HB3 SER 62 5.951 2.898 -6.173 336 HG SER 62 HG SER 62 6.344 5.658 -5.865 337 H ASN 63 H ASN 63 9.226 2.397 -6.404 338 HA ASN 63 HA ASN 63 10.229 4.401 -4.539 339 HB2 ASN 63 HB2 ASN 63 10.231 1.377 -4.069 340 HB3 ASN 63 HB3 ASN 63 10.663 2.617 -2.908 341 HD21 ASN 63 HD21 ASN 63 8.090 1.043 -4.648 342 HD22 ASN 63 HD22 ASN 63 6.756 1.625 -3.710 343 H PHE 64 H PHE 64 10.937 3.388 -7.398 344 HA PHE 64 HA PHE 64 13.070 1.731 -7.494 345 HB2 PHE 64 HB2 PHE 64 13.384 2.756 -9.627 346 HB3 PHE 64 HB3 PHE 64 11.737 3.231 -9.261 347 HD1 PHE 64 HD2 PHE 64 11.315 5.536 -8.330 348 HD2 PHE 64 HD1 PHE 64 15.083 4.376 -9.899 349 HE1 PHE 64 HE2 PHE 64 11.955 7.951 -8.578 350 HE2 PHE 64 HE1 PHE 64 15.723 6.790 -10.147 351 HZ PHE 64 HZ PHE 64 14.152 8.549 -9.483 352 H ASP 65 H ASP 65 12.909 4.919 -6.020 353 HA ASP 65 HA ASP 65 15.318 5.953 -6.217 354 HB2 ASP 65 HB2 ASP 65 13.260 6.413 -4.571 355 HB3 ASP 65 HB3 ASP 65 14.248 5.540 -3.416 356 HD2 ASP 65 HD2 ASP 65 14.325 9.148 -3.689 357 H ASP 66 H ASP 66 14.429 2.901 -4.618 358 HA ASP 66 HA ASP 66 17.255 2.458 -4.110 359 HB2 ASP 66 HB2 ASP 66 14.907 2.020 -2.234 360 HB3 ASP 66 HB3 ASP 66 16.350 1.040 -2.075 361 HD2 ASP 66 HD2 ASP 66 15.694 4.643 -1.013 362 H VAL 67 H VAL 67 17.614 0.883 -5.716 363 HA VAL 67 HA VAL 67 15.597 -0.922 -6.532 364 HB VAL 67 HB VAL 67 17.063 -1.516 -8.146 365 HG11 VAL 67 HG11 VAL 67 18.177 0.363 -8.929 366 HG12 VAL 67 HG12 VAL 67 17.034 1.075 -7.764 367 HG13 VAL 67 HG13 VAL 67 18.738 0.839 -7.308 368 HG21 VAL 67 HG21 VAL 67 19.378 -1.208 -6.203 369 HG22 VAL 67 HG22 VAL 67 18.578 -2.737 -6.639 370 HG23 VAL 67 HG23 VAL 67 19.479 -1.821 -7.871 371 H GLU 68 H GLU 68 18.543 -1.198 -4.444 372 HA GLU 68 HA GLU 68 18.300 -3.900 -3.977 373 HB2 GLU 68 HB2 GLU 68 20.328 -3.211 -3.186 374 HB3 GLU 68 HB3 GLU 68 19.744 -1.607 -2.789 375 HG2 GLU 68 HG2 GLU 68 18.709 -2.439 -0.714 376 HG3 GLU 68 HG3 GLU 68 19.109 -4.093 -1.132 377 HE2 GLU 68 HE2 GLU 68 21.839 -1.359 -0.874 378 H GLU 69 H GLU 69 16.687 -1.079 -2.488 379 HA GLU 69 HA GLU 69 15.664 -2.529 -0.308 380 HB2 GLU 69 HB2 GLU 69 15.953 -0.042 -0.353 381 HB3 GLU 69 HB3 GLU 69 14.678 0.078 -1.549 382 HG2 GLU 69 HG2 GLU 69 13.158 -1.151 0.143 383 HG3 GLU 69 HG3 GLU 69 14.425 -0.901 1.327 384 HE2 GLU 69 HE2 GLU 69 11.692 0.818 0.061 385 H LEU 70 H LEU 70 14.451 -1.651 -3.584 386 HA LEU 70 HA LEU 70 11.830 -2.527 -3.214 387 HB2 LEU 70 HB2 LEU 70 12.805 -1.094 -5.056 388 HB3 LEU 70 HB3 LEU 70 13.403 -2.570 -5.787 389 HG LEU 70 HG LEU 70 11.134 -1.509 -6.554 390 HD11 LEU 70 HD11 LEU 70 10.542 -4.321 -6.336 391 HD12 LEU 70 HD12 LEU 70 11.041 -3.371 -7.756 392 HD13 LEU 70 HD13 LEU 70 12.271 -4.080 -6.683 393 HD21 LEU 70 HD21 LEU 70 10.082 -3.273 -4.338 394 HD22 LEU 70 HD22 LEU 70 10.250 -1.508 -4.177 395 HD23 LEU 70 HD23 LEU 70 9.176 -2.190 -5.422 396 H VAL 71 H VAL 71 14.726 -4.235 -4.586 397 HA VAL 71 HA VAL 71 13.471 -6.647 -5.063 398 HB VAL 71 HB VAL 71 15.758 -7.586 -4.922 399 HG11 VAL 71 HG11 VAL 71 15.497 -4.950 -6.408 400 HG12 VAL 71 HG12 VAL 71 16.723 -6.198 -6.735 401 HG13 VAL 71 HG13 VAL 71 14.998 -6.556 -6.992 402 HG21 VAL 71 HG21 VAL 71 17.659 -6.106 -4.445 403 HG22 VAL 71 HG22 VAL 71 16.537 -4.790 -4.025 404 HG23 VAL 71 HG23 VAL 71 16.593 -6.264 -3.029 405 H LYS 72 H LYS 72 15.080 -5.400 -2.074 406 HA LYS 72 HA LYS 72 14.796 -7.747 -0.597 407 HB2 LYS 72 HB2 LYS 72 15.893 -6.562 0.942 408 HB3 LYS 72 HB3 LYS 72 15.949 -5.265 -0.235 409 HG2 LYS 72 HG2 LYS 72 13.598 -4.581 0.672 410 HG3 LYS 72 HG3 LYS 72 13.937 -5.656 2.014 411 HD2 LYS 72 HD2 LYS 72 16.103 -3.705 1.303 412 HD3 LYS 72 HD3 LYS 72 14.645 -3.022 1.996 413 HE2 LYS 72 HE2 LYS 72 14.942 -4.093 4.053 414 HE3 LYS 72 HE3 LYS 72 15.793 -5.454 3.350 415 HZ1 LYS 72 HZ1 LYS 72 17.609 -4.425 4.027 416 HZ2 LYS 72 HZ2 LYS 72 17.390 -3.336 2.829 417 HZ3 LYS 72 HZ3 LYS 72 16.839 -3.017 4.333 418 H LYS 73 H LYS 73 12.568 -5.032 -1.284 419 HA LYS 73 HA LYS 73 10.654 -5.778 0.650 420 HB2 LYS 73 HB2 LYS 73 11.064 -3.566 -0.805 421 HB3 LYS 73 HB3 LYS 73 9.852 -4.315 -1.824 422 HG2 LYS 73 HG2 LYS 73 9.604 -3.509 1.096 423 HG3 LYS 73 HG3 LYS 73 8.627 -2.977 -0.257 424 HD2 LYS 73 HD2 LYS 73 7.830 -5.402 -0.513 425 HD3 LYS 73 HD3 LYS 73 8.651 -5.760 0.994 426 HE2 LYS 73 HE2 LYS 73 7.253 -3.655 1.887 427 HE3 LYS 73 HE3 LYS 73 6.216 -4.031 0.525 428 HZ1 LYS 73 HZ1 LYS 73 6.370 -6.401 1.455 429 HZ2 LYS 73 HZ2 LYS 73 6.823 -5.676 2.847 430 HZ3 LYS 73 HZ3 LYS 73 5.373 -5.330 2.180 431 H VAL 74 H VAL 74 11.434 -6.851 -2.640 432 HA VAL 74 HA VAL 74 8.948 -8.127 -3.106 433 HB VAL 74 HB VAL 74 11.700 -8.269 -4.317 434 HG11 VAL 74 HG11 VAL 74 9.699 -10.317 -4.452 435 HG12 VAL 74 HG12 VAL 74 9.818 -9.530 -6.044 436 HG13 VAL 74 HG13 VAL 74 11.269 -10.230 -5.285 437 HG21 VAL 74 HG21 VAL 74 10.962 -6.624 -5.629 438 HG22 VAL 74 HG22 VAL 74 9.542 -7.585 -6.107 439 HG23 VAL 74 HG23 VAL 74 9.474 -6.560 -4.654 440 H VAL 75 H VAL 75 12.241 -9.393 -2.217 441 HA VAL 75 HA VAL 75 11.406 -12.012 -1.823 442 HB VAL 75 HB VAL 75 13.756 -10.747 -1.917 443 HG11 VAL 75 HG11 VAL 75 13.607 -11.454 1.018 444 HG12 VAL 75 HG12 VAL 75 14.863 -10.540 0.148 445 HG13 VAL 75 HG13 VAL 75 13.264 -9.809 0.429 446 HG21 VAL 75 HG21 VAL 75 14.396 -12.872 -2.114 447 HG22 VAL 75 HG22 VAL 75 14.231 -13.106 -0.358 448 HG23 VAL 75 HG23 VAL 75 12.840 -13.398 -1.429 449 H ALA 76 H ALA 76 11.286 -9.120 0.268 450 HA ALA 76 HA ALA 76 10.789 -10.458 2.676 451 HB1 ALA 76 HB1 ALA 76 10.044 -8.262 3.447 452 HB2 ALA 76 HB2 ALA 76 11.487 -8.075 2.422 453 HB3 ALA 76 HB3 ALA 76 9.875 -7.699 1.767 454 H VAL 77 H VAL 77 8.536 -8.953 0.252 455 HA VAL 77 HA VAL 77 6.198 -9.697 1.548 456 HB VAL 77 HB VAL 77 6.958 -8.331 -0.744 457 HG11 VAL 77 HG11 VAL 77 5.543 -9.261 -2.538 458 HG12 VAL 77 HG12 VAL 77 6.852 -10.376 -2.079 459 HG13 VAL 77 HG13 VAL 77 5.190 -10.677 -1.518 460 HG21 VAL 77 HG21 VAL 77 4.595 -8.724 0.902 461 HG22 VAL 77 HG22 VAL 77 5.169 -7.263 0.063 462 HG23 VAL 77 HG23 VAL 77 4.159 -8.447 -0.801 463 H CYS 78 H CYS 78 8.186 -11.407 -0.942 464 HA CYS 78 HA CYS 78 6.524 -13.522 -1.400 465 HB2 CYS 78 HB2 CYS 78 9.558 -13.530 -1.278 466 HB3 CYS 78 HB3 CYS 78 8.576 -14.787 -2.005 467 HG CYS 78 HG CYS 78 9.145 -13.630 -4.085 468 H GLU 79 H GLU 79 9.080 -13.106 1.150 469 HA GLU 79 HA GLU 79 8.598 -15.590 2.322 470 HB2 GLU 79 HB2 GLU 79 10.086 -13.091 3.051 471 HB3 GLU 79 HB3 GLU 79 9.713 -14.192 4.362 472 HG2 GLU 79 HG2 GLU 79 11.034 -15.108 1.769 473 HG3 GLU 79 HG3 GLU 79 11.954 -14.584 3.165 474 HE2 GLU 79 HE2 GLU 79 12.507 -16.979 4.227 475 H GLU 80 H GLU 80 7.052 -12.419 2.589 476 HA GLU 80 HA GLU 80 5.817 -12.955 5.068 477 HB2 GLU 80 HB2 GLU 80 5.289 -10.899 2.884 478 HB3 GLU 80 HB3 GLU 80 4.368 -10.948 4.375 479 HG2 GLU 80 HG2 GLU 80 7.376 -10.966 4.590 480 HG3 GLU 80 HG3 GLU 80 6.604 -9.461 4.129 481 HE2 GLU 80 HE2 GLU 80 4.602 -9.338 6.953 482 H LEU 81 H LEU 81 5.237 -13.901 1.764 483 HA LEU 81 HA LEU 81 2.417 -14.361 2.180 484 HB2 LEU 81 HB2 LEU 81 4.077 -13.898 -0.019 485 HB3 LEU 81 HB3 LEU 81 3.587 -15.573 -0.181 486 HG LEU 81 HG LEU 81 2.150 -13.860 -1.358 487 HD11 LEU 81 HD11 LEU 81 0.517 -15.446 0.613 488 HD12 LEU 81 HD12 LEU 81 0.207 -15.119 -1.109 489 HD13 LEU 81 HD13 LEU 81 1.498 -16.249 -0.636 490 HD21 LEU 81 HD21 LEU 81 2.207 -12.515 1.030 491 HD22 LEU 81 HD22 LEU 81 1.055 -12.224 -0.295 492 HD23 LEU 81 HD23 LEU 81 0.599 -13.277 1.066 493 H GLY 82 H GLY 82 5.432 -15.955 2.781 494 HA2 GLY 82 HA2 GLY 82 5.966 -18.152 3.115 495 HA3 GLY 82 HA3 GLY 82 4.648 -17.994 4.259 496 H ALA 83 H ALA 83 4.956 -18.335 0.644 497 HA ALA 83 HA ALA 83 3.114 -20.610 0.847 498 HB1 ALA 83 HB1 ALA 83 2.923 -18.901 -1.577 499 HB2 ALA 83 HB2 ALA 83 1.642 -19.705 -0.638 500 HB3 ALA 83 HB3 ALA 83 2.326 -18.163 -0.071 501 H GLU 84 H GLU 84 3.705 -22.389 -0.368 502 HA GLU 84 HA GLU 84 5.776 -21.977 -2.346 503 HB2 GLU 84 HB2 GLU 84 6.067 -24.269 -0.391 504 HB3 GLU 84 HB3 GLU 84 7.281 -23.562 -1.439 505 HG2 GLU 84 HG2 GLU 84 6.878 -21.369 -0.020 506 HG3 GLU 84 HG3 GLU 84 6.146 -22.452 1.147 507 HE2 GLU 84 HE2 GLU 84 9.515 -21.743 -0.092 508 H GLU 85 H GLU 85 2.786 -22.662 -2.163 509 HA GLU 85 HA GLU 85 2.532 -24.216 -4.295 510 HB2 GLU 85 HB2 GLU 85 1.884 -26.500 -3.233 511 HB3 GLU 85 HB3 GLU 85 3.587 -26.147 -3.452 512 HG2 GLU 85 HG2 GLU 85 2.955 -27.091 -1.162 513 HG3 GLU 85 HG3 GLU 85 3.891 -25.610 -1.126 514 HE2 GLU 85 HE2 GLU 85 0.671 -26.822 -0.847 515 H CYS 86 H CYS 86 0.246 -25.085 -4.583 516 HA CYS 86 HA CYS 86 -1.520 -23.548 -2.838 517 HB2 CYS 86 HB2 CYS 86 -1.863 -22.815 -5.034 518 HB3 CYS 86 HB3 CYS 86 -1.711 -24.423 -5.714 519 H PHE 87 H PHE 87 -1.597 -25.130 -1.111 520 HA PHE 87 HA PHE 87 -1.966 -27.838 -1.460 521 HB2 PHE 87 HB2 PHE 87 -1.407 -26.889 0.710 522 HB3 PHE 87 HB3 PHE 87 -2.733 -25.747 0.637 523 HD1 PHE 87 HD2 PHE 87 -1.845 -29.264 1.244 524 HD2 PHE 87 HD1 PHE 87 -4.938 -26.360 1.353 525 HE1 PHE 87 HE2 PHE 87 -3.269 -30.831 2.592 526 HE2 PHE 87 HE1 PHE 87 -6.362 -27.928 2.700 527 HZ PHE 87 HZ PHE 87 -5.511 -30.144 3.304 528 H SER 88 H SER 88 -4.257 -25.153 -1.765 529 HA SER 88 HA SER 88 -6.592 -26.525 -1.304 530 HB2 SER 88 HB2 SER 88 -6.010 -24.217 -3.211 531 HB3 SER 88 HB3 SER 88 -7.627 -24.749 -2.795 532 HG SER 88 HG SER 88 -7.498 -23.627 -0.983 533 H CYS 89 H CYS 89 -4.242 -26.910 -3.807 534 HA CYS 89 HA CYS 89 -5.753 -27.521 -6.009 535 HB2 CYS 89 HB2 CYS 89 -3.030 -28.198 -5.046 536 HB3 CYS 89 HB3 CYS 89 -3.689 -29.283 -6.255 537 H ASP 90 H ASP 90 -5.556 -29.075 -2.907 538 HA ASP 90 HA ASP 90 -6.361 -31.630 -3.936 539 HB2 ASP 90 HB2 ASP 90 -4.853 -31.076 -1.832 540 HB3 ASP 90 HB3 ASP 90 -6.380 -30.817 -1.012 541 HD2 ASP 90 HD2 ASP 90 -6.450 -32.437 0.229 542 H PHE 91 H PHE 91 -8.003 -29.001 -4.132 543 HA PHE 91 HA PHE 91 -10.124 -29.107 -2.325 544 HB2 PHE 91 HB2 PHE 91 -11.189 -27.646 -4.076 545 HB3 PHE 91 HB3 PHE 91 -9.517 -27.186 -3.826 546 HD1 PHE 91 HD2 PHE 91 -11.561 -29.428 -6.002 547 HD2 PHE 91 HD1 PHE 91 -8.168 -26.900 -5.678 548 HE1 PHE 91 HE2 PHE 91 -11.116 -29.710 -8.456 549 HE2 PHE 91 HE1 PHE 91 -7.723 -27.183 -8.132 550 HZ PHE 91 HZ PHE 91 -9.203 -28.584 -9.492 551 H ASP 92 H ASP 92 -12.316 -29.865 -2.581 552 HA ASP 92 HA ASP 92 -12.402 -32.388 -3.835 553 HB2 ASP 92 HB2 ASP 92 -13.672 -32.162 -1.830 554 HB3 ASP 92 HB3 ASP 92 -14.379 -30.642 -2.340 555 HD2 ASP 92 HD2 ASP 92 -14.411 -34.014 -3.072 Start of MODEL 4 1 H SER 16 H SER 16 0.611 1.127 -0.899 2 HA SER 16 HA SER 16 2.531 -0.793 -0.310 3 HB2 SER 16 HB2 SER 16 -0.414 -0.459 0.275 4 HB3 SER 16 HB3 SER 16 0.360 -1.979 0.676 5 HG SER 16 HG SER 16 0.508 -0.623 2.494 6 H GLU 17 H GLU 17 0.903 -0.384 -3.162 7 HA GLU 17 HA GLU 17 0.476 -3.227 -3.571 8 HB2 GLU 17 HB2 GLU 17 -0.305 -0.899 -5.379 9 HB3 GLU 17 HB3 GLU 17 -0.797 -2.570 -5.569 10 HG2 GLU 17 HG2 GLU 17 -1.423 -0.948 -3.062 11 HG3 GLU 17 HG3 GLU 17 -2.503 -1.010 -4.441 12 HE2 GLU 17 HE2 GLU 17 -3.792 -2.545 -4.507 13 H ALA 18 H ALA 18 2.797 -0.759 -4.022 14 HA ALA 18 HA ALA 18 3.810 -1.273 -6.540 15 HB1 ALA 18 HB1 ALA 18 4.532 0.158 -4.157 16 HB2 ALA 18 HB2 ALA 18 5.958 -0.742 -4.727 17 HB3 ALA 18 HB3 ALA 18 5.128 0.394 -5.818 18 H VAL 19 H VAL 19 4.654 -2.791 -3.352 19 HA VAL 19 HA VAL 19 6.572 -4.528 -4.334 20 HB VAL 19 HB VAL 19 6.433 -5.584 -2.268 21 HG11 VAL 19 HG11 VAL 19 6.759 -2.992 -2.285 22 HG12 VAL 19 HG12 VAL 19 5.175 -2.966 -1.475 23 HG13 VAL 19 HG13 VAL 19 6.538 -3.839 -0.735 24 HG21 VAL 19 HG21 VAL 19 3.540 -4.682 -2.055 25 HG22 VAL 19 HG22 VAL 19 4.107 -6.334 -2.397 26 HG23 VAL 19 HG23 VAL 19 4.442 -5.588 -0.816 27 H TYR 20 H TYR 20 3.012 -5.042 -3.838 28 HA TYR 20 HA TYR 20 2.857 -7.639 -4.678 29 HB2 TYR 20 HB2 TYR 20 1.173 -5.120 -4.705 30 HB3 TYR 20 HB3 TYR 20 0.566 -6.443 -5.680 31 HD1 TYR 20 HD1 TYR 20 2.447 -7.455 -2.760 32 HD2 TYR 20 HD2 TYR 20 -1.444 -6.338 -4.143 33 HE1 TYR 20 HE1 TYR 20 1.404 -8.504 -0.692 34 HE2 TYR 20 HE2 TYR 20 -2.475 -7.391 -2.071 35 HH TYR 20 HH TYR 20 -1.749 -9.284 -0.465 36 H ILE 21 H ILE 21 2.990 -4.632 -6.663 37 HA ILE 21 HA ILE 21 2.406 -5.851 -9.104 38 HB ILE 21 HB ILE 21 3.320 -3.288 -8.110 39 HG12 ILE 21 HG12 ILE 21 1.083 -3.768 -9.029 40 HG13 ILE 21 HG13 ILE 21 1.883 -2.447 -9.857 41 HG21 ILE 21 HG21 ILE 21 4.333 -2.569 -10.304 42 HG22 ILE 21 HG22 ILE 21 5.354 -3.616 -9.289 43 HG23 ILE 21 HG23 ILE 21 4.510 -4.295 -10.701 44 HD11 ILE 21 HD11 ILE 21 0.894 -4.924 -10.965 45 HD12 ILE 21 HD12 ILE 21 1.606 -3.535 -11.820 46 HD13 ILE 21 HD13 ILE 21 2.653 -4.844 -11.222 47 H ALA 22 H ALA 22 5.539 -5.237 -7.402 48 HA ALA 22 HA ALA 22 7.165 -6.238 -9.435 49 HB1 ALA 22 HB1 ALA 22 8.884 -6.233 -7.752 50 HB2 ALA 22 HB2 ALA 22 7.815 -4.850 -7.411 51 HB3 ALA 22 HB3 ALA 22 7.684 -6.337 -6.441 52 H ILE 23 H ILE 23 5.916 -7.838 -6.416 53 HA ILE 23 HA ILE 23 6.921 -10.365 -7.150 54 HB ILE 23 HB ILE 23 6.615 -10.108 -4.898 55 HG12 ILE 23 HG12 ILE 23 5.379 -12.166 -6.026 56 HG13 ILE 23 HG13 ILE 23 5.352 -11.902 -4.294 57 HG21 ILE 23 HG21 ILE 23 5.447 -8.275 -4.341 58 HG22 ILE 23 HG22 ILE 23 4.290 -8.474 -5.679 59 HG23 ILE 23 HG23 ILE 23 4.083 -9.407 -4.177 60 HD11 ILE 23 HD11 ILE 23 3.132 -11.157 -4.290 61 HD12 ILE 23 HD12 ILE 23 3.210 -10.602 -5.980 62 HD13 ILE 23 HD13 ILE 23 3.092 -12.341 -5.619 63 H GLU 24 H GLU 24 4.373 -8.467 -8.405 64 HA GLU 24 HA GLU 24 2.835 -10.797 -9.154 65 HB2 GLU 24 HB2 GLU 24 1.468 -8.985 -8.404 66 HB3 GLU 24 HB3 GLU 24 2.360 -7.805 -9.344 67 HG2 GLU 24 HG2 GLU 24 0.213 -8.287 -10.444 68 HG3 GLU 24 HG3 GLU 24 1.531 -8.843 -11.456 69 HE2 GLU 24 HE2 GLU 24 1.027 -10.678 -12.274 70 H ALA 25 H ALA 25 5.244 -8.561 -10.379 71 HA ALA 25 HA ALA 25 4.735 -8.574 -13.078 72 HB1 ALA 25 HB1 ALA 25 7.372 -8.639 -11.558 73 HB2 ALA 25 HB2 ALA 25 7.206 -8.219 -13.279 74 HB3 ALA 25 HB3 ALA 25 6.450 -7.194 -12.036 75 H GLY 26 H GLY 26 5.800 -11.177 -10.947 76 HA2 GLY 26 HA2 GLY 26 5.225 -13.373 -12.050 77 HA3 GLY 26 HA3 GLY 26 6.343 -12.875 -13.304 78 H THR 27 H THR 27 6.404 -12.678 -9.669 79 HA THR 27 HA THR 27 9.144 -13.692 -9.759 80 HB THR 27 HB THR 27 7.418 -12.168 -7.767 81 HG1 THR 27 HG1 THR 27 8.680 -10.722 -8.882 82 HG21 THR 27 HG21 THR 27 8.970 -14.100 -6.736 83 HG22 THR 27 HG22 THR 27 10.274 -12.963 -7.156 84 HG23 THR 27 HG23 THR 27 8.985 -12.464 -6.035 85 H LEU 28 H LEU 28 5.954 -14.380 -8.205 86 HA LEU 28 HA LEU 28 6.965 -17.108 -7.794 87 HB2 LEU 28 HB2 LEU 28 5.098 -16.935 -5.891 88 HB3 LEU 28 HB3 LEU 28 6.798 -16.597 -5.630 89 HG LEU 28 HG LEU 28 4.976 -14.350 -6.427 90 HD11 LEU 28 HD11 LEU 28 4.558 -15.974 -4.102 91 HD12 LEU 28 HD12 LEU 28 5.126 -14.365 -3.599 92 HD13 LEU 28 HD13 LEU 28 3.685 -14.516 -4.633 93 HD21 LEU 28 HD21 LEU 28 6.960 -13.337 -6.242 94 HD22 LEU 28 HD22 LEU 28 6.701 -13.458 -4.485 95 HD23 LEU 28 HD23 LEU 28 7.675 -14.687 -5.328 96 H ALA 29 H ALA 29 4.888 -18.622 -7.405 97 HA ALA 29 HA ALA 29 2.888 -17.847 -9.411 98 HB1 ALA 29 HB1 ALA 29 4.505 -20.395 -9.158 99 HB2 ALA 29 HB2 ALA 29 2.926 -20.376 -9.978 100 HB3 ALA 29 HB3 ALA 29 4.258 -19.368 -10.590 101 H GLU 30 H GLU 30 0.764 -18.809 -9.076 102 HA GLU 30 HA GLU 30 0.426 -20.187 -6.570 103 HB2 GLU 30 HB2 GLU 30 -1.540 -18.539 -6.059 104 HB3 GLU 30 HB3 GLU 30 0.094 -18.050 -5.660 105 HG2 GLU 30 HG2 GLU 30 -1.214 -17.347 -8.324 106 HG3 GLU 30 HG3 GLU 30 -1.350 -16.317 -6.913 107 HE2 GLU 30 HE2 GLU 30 0.690 -15.192 -9.115 108 H CYS 31 H CYS 31 -1.388 -21.572 -6.573 109 HA CYS 31 HA CYS 31 -2.322 -22.390 -9.032 110 HB2 CYS 31 HB2 CYS 31 -2.484 -23.312 -6.419 111 HB3 CYS 31 HB3 CYS 31 -4.158 -22.979 -6.819 112 H GLU 32 H GLU 32 -3.654 -21.290 -10.427 113 HA GLU 32 HA GLU 32 -5.193 -19.116 -9.431 114 HB2 GLU 32 HB2 GLU 32 -4.069 -18.931 -11.600 115 HB3 GLU 32 HB3 GLU 32 -4.917 -20.337 -12.211 116 HG2 GLU 32 HG2 GLU 32 -6.992 -19.204 -12.341 117 HG3 GLU 32 HG3 GLU 32 -6.523 -17.993 -11.164 118 HE2 GLU 32 HE2 GLU 32 -6.103 -16.047 -14.029 119 H VAL 33 H VAL 33 -5.682 -22.341 -9.168 120 HA VAL 33 HA VAL 33 -8.546 -22.168 -9.786 121 HB VAL 33 HB VAL 33 -8.117 -24.062 -10.856 122 HG11 VAL 33 HG11 VAL 33 -5.492 -24.197 -9.341 123 HG12 VAL 33 HG12 VAL 33 -5.984 -25.360 -10.595 124 HG13 VAL 33 HG13 VAL 33 -5.754 -23.645 -11.012 125 HG21 VAL 33 HG21 VAL 33 -7.879 -24.963 -7.988 126 HG22 VAL 33 HG22 VAL 33 -9.230 -25.173 -9.128 127 HG23 VAL 33 HG23 VAL 33 -7.739 -26.125 -9.329 128 H HIS 34 H HIS 34 -6.243 -21.935 -7.289 129 HA HIS 34 HA HIS 34 -8.348 -22.523 -5.347 130 HB2 HIS 34 HB2 HIS 34 -5.501 -23.050 -4.606 131 HB3 HIS 34 HB3 HIS 34 -6.974 -23.760 -3.976 132 HD1 HIS 34 HD1 HIS 34 -5.657 -23.684 -7.584 133 HD2 HIS 34 HD2 HIS 34 -6.769 -26.410 -4.596 134 HE1 HIS 34 HE1 HIS 34 -5.488 -26.003 -8.634 135 H GLU 35 H GLU 35 -8.942 -20.526 -4.639 136 HA GLU 35 HA GLU 35 -7.093 -18.394 -4.662 137 HB2 GLU 35 HB2 GLU 35 -9.928 -18.706 -3.607 138 HB3 GLU 35 HB3 GLU 35 -9.037 -17.208 -3.427 139 HG2 GLU 35 HG2 GLU 35 -10.138 -16.822 -5.455 140 HG3 GLU 35 HG3 GLU 35 -8.604 -17.446 -6.028 141 HE2 GLU 35 HE2 GLU 35 -11.621 -18.912 -4.910 142 H GLY 36 H GLY 36 -5.597 -17.895 -3.121 143 HA2 GLY 36 HA2 GLY 36 -5.193 -17.368 -0.815 144 HA3 GLY 36 HA3 GLY 36 -6.148 -18.763 -0.350 145 H THR 37 H THR 37 -4.646 -19.955 -3.001 146 HA THR 37 HA THR 37 -2.465 -21.057 -1.388 147 HB THR 37 HB THR 37 -2.514 -22.842 -3.133 148 HG1 THR 37 HG1 THR 37 -3.637 -20.754 -4.458 149 HG21 THR 37 HG21 THR 37 -5.453 -22.387 -2.735 150 HG22 THR 37 HG22 THR 37 -4.484 -23.848 -2.424 151 HG23 THR 37 HG23 THR 37 -4.477 -22.508 -1.251 152 H TYR 38 H TYR 38 -0.349 -20.694 -1.774 153 HA TYR 38 HA TYR 38 0.366 -19.449 -4.315 154 HB2 TYR 38 HB2 TYR 38 0.652 -18.423 -1.447 155 HB3 TYR 38 HB3 TYR 38 1.858 -17.957 -2.630 156 HD1 TYR 38 HD2 TYR 38 1.196 -16.581 -4.615 157 HD2 TYR 38 HD1 TYR 38 -1.540 -17.437 -1.439 158 HE1 TYR 38 HE2 TYR 38 -0.310 -14.686 -5.392 159 HE2 TYR 38 HE1 TYR 38 -3.037 -15.538 -2.226 160 HH TYR 38 HH TYR 38 -2.765 -13.438 -3.484 161 H PHE 39 H PHE 39 2.821 -19.355 -4.565 162 HA PHE 39 HA PHE 39 4.450 -20.864 -2.855 163 HB2 PHE 39 HB2 PHE 39 4.649 -22.901 -4.212 164 HB3 PHE 39 HB3 PHE 39 2.937 -22.653 -3.933 165 HD1 PHE 39 HD2 PHE 39 1.476 -21.907 -5.752 166 HD2 PHE 39 HD1 PHE 39 5.600 -22.648 -6.420 167 HE1 PHE 39 HE2 PHE 39 1.066 -21.954 -8.228 168 HE2 PHE 39 HE1 PHE 39 5.190 -22.696 -8.896 169 HZ PHE 39 HZ PHE 39 2.928 -22.348 -9.770 170 H SER 40 H SER 40 6.310 -19.730 -3.124 171 HA SER 40 HA SER 40 6.809 -18.563 -5.703 172 HB2 SER 40 HB2 SER 40 8.464 -17.228 -4.600 173 HB3 SER 40 HB3 SER 40 7.107 -17.323 -3.495 174 HG SER 40 HG SER 40 9.095 -17.701 -2.373 175 H ASP 41 H ASP 41 8.812 -18.919 -6.908 176 HA ASP 41 HA ASP 41 9.495 -21.410 -7.391 177 HB2 ASP 41 HB2 ASP 41 10.604 -18.835 -7.922 178 HB3 ASP 41 HB3 ASP 41 11.950 -19.824 -7.392 179 HD2 ASP 41 HD2 ASP 41 9.290 -20.292 -9.852 180 H SER 42 H SER 42 9.802 -22.891 -5.657 181 HA SER 42 HA SER 42 11.311 -22.196 -3.393 182 HB2 SER 42 HB2 SER 42 10.841 -24.400 -2.624 183 HB3 SER 42 HB3 SER 42 9.440 -23.946 -3.573 184 HG SER 42 HG SER 42 11.589 -25.727 -4.289 185 H GLY 43 H GLY 43 13.472 -22.708 -2.845 186 HA2 GLY 43 HA2 GLY 43 15.430 -24.033 -3.216 187 HA3 GLY 43 HA3 GLY 43 15.055 -24.079 -4.927 188 H ASP 44 H ASP 44 14.178 -21.142 -4.866 189 HA ASP 44 HA ASP 44 16.728 -19.892 -4.328 190 HB2 ASP 44 HB2 ASP 44 15.245 -19.570 -6.978 191 HB3 ASP 44 HB3 ASP 44 16.756 -18.797 -6.542 192 HD2 ASP 44 HD2 ASP 44 18.545 -19.982 -6.598 193 H ILE 45 H ILE 45 15.451 -18.876 -2.570 194 HA ILE 45 HA ILE 45 13.057 -17.472 -3.175 195 HB ILE 45 HB ILE 45 14.801 -17.926 -0.824 196 HG12 ILE 45 HG12 ILE 45 12.565 -19.108 -1.667 197 HG13 ILE 45 HG13 ILE 45 12.977 -18.966 0.031 198 HG21 ILE 45 HG21 ILE 45 14.745 -15.727 -0.282 199 HG22 ILE 45 HG22 ILE 45 13.309 -15.397 -1.281 200 HG23 ILE 45 HG23 ILE 45 13.127 -16.168 0.313 201 HD11 ILE 45 HD11 ILE 45 10.590 -18.155 -0.975 202 HD12 ILE 45 HD12 ILE 45 11.340 -17.394 0.448 203 HD13 ILE 45 HD13 ILE 45 11.508 -16.641 -1.156 204 H SER 46 H SER 46 16.539 -16.661 -2.937 205 HA SER 46 HA SER 46 16.129 -13.896 -3.034 206 HB2 SER 46 HB2 SER 46 18.502 -13.733 -3.286 207 HB3 SER 46 HB3 SER 46 18.226 -15.133 -2.269 208 HG SER 46 HG SER 46 18.276 -16.359 -4.445 209 H GLU 47 H GLU 47 16.229 -16.483 -5.445 210 HA GLU 47 HA GLU 47 16.916 -14.999 -7.660 211 HB2 GLU 47 HB2 GLU 47 16.904 -17.354 -7.907 212 HB3 GLU 47 HB3 GLU 47 15.294 -17.519 -7.235 213 HG2 GLU 47 HG2 GLU 47 14.295 -16.478 -9.231 214 HG3 GLU 47 HG3 GLU 47 15.881 -16.118 -9.885 215 HE2 GLU 47 HE2 GLU 47 16.514 -19.639 -10.369 216 H ALA 48 H ALA 48 13.935 -15.141 -5.777 217 HA ALA 48 HA ALA 48 12.226 -14.131 -7.800 218 HB1 ALA 48 HB1 ALA 48 10.877 -15.004 -6.210 219 HB2 ALA 48 HB2 ALA 48 12.126 -14.857 -4.950 220 HB3 ALA 48 HB3 ALA 48 11.100 -13.460 -5.354 221 H GLU 49 H GLU 49 14.491 -12.736 -5.441 222 HA GLU 49 HA GLU 49 13.422 -10.125 -5.696 223 HB2 GLU 49 HB2 GLU 49 14.837 -9.624 -3.980 224 HB3 GLU 49 HB3 GLU 49 15.037 -11.361 -3.862 225 HG2 GLU 49 HG2 GLU 49 17.005 -11.224 -5.422 226 HG3 GLU 49 HG3 GLU 49 16.817 -9.483 -5.488 227 HE2 GLU 49 HE2 GLU 49 17.959 -11.024 -1.940 228 H GLU 50 H GLU 50 16.200 -11.962 -7.086 229 HA GLU 50 HA GLU 50 17.320 -9.803 -8.416 230 HB2 GLU 50 HB2 GLU 50 18.826 -11.348 -9.194 231 HB3 GLU 50 HB3 GLU 50 18.079 -12.363 -7.976 232 HG2 GLU 50 HG2 GLU 50 16.518 -13.291 -9.682 233 HG3 GLU 50 HG3 GLU 50 17.215 -12.247 -10.905 234 HE2 GLU 50 HE2 GLU 50 20.211 -14.362 -9.623 235 H LEU 51 H LEU 51 14.918 -12.304 -9.457 236 HA LEU 51 HA LEU 51 14.696 -11.224 -12.077 237 HB2 LEU 51 HB2 LEU 51 13.676 -13.135 -12.473 238 HB3 LEU 51 HB3 LEU 51 14.030 -13.582 -10.815 239 HG LEU 51 HG LEU 51 11.699 -14.009 -11.361 240 HD11 LEU 51 HD11 LEU 51 12.632 -12.716 -9.106 241 HD12 LEU 51 HD12 LEU 51 11.207 -11.755 -9.568 242 HD13 LEU 51 HD13 LEU 51 11.048 -13.506 -9.288 243 HD21 LEU 51 HD21 LEU 51 10.828 -11.213 -11.505 244 HD22 LEU 51 HD22 LEU 51 11.819 -11.730 -12.890 245 HD23 LEU 51 HD23 LEU 51 10.339 -12.626 -12.471 246 H ALA 52 H ALA 52 13.268 -10.559 -8.921 247 HA ALA 52 HA ALA 52 10.951 -9.258 -9.888 248 HB1 ALA 52 HB1 ALA 52 12.463 -9.418 -7.283 249 HB2 ALA 52 HB2 ALA 52 11.154 -8.227 -7.474 250 HB3 ALA 52 HB3 ALA 52 10.813 -9.964 -7.668 251 H ARG 53 H ARG 53 14.270 -8.183 -8.949 252 HA ARG 53 HA ARG 53 13.699 -5.478 -9.281 253 HB2 ARG 53 HB2 ARG 53 15.900 -5.182 -8.646 254 HB3 ARG 53 HB3 ARG 53 15.791 -6.881 -8.233 255 HG2 ARG 53 HG2 ARG 53 16.635 -7.465 -10.539 256 HG3 ARG 53 HG3 ARG 53 16.811 -5.756 -10.884 257 HD2 ARG 53 HD2 ARG 53 18.982 -6.661 -10.177 258 HD3 ARG 53 HD3 ARG 53 18.409 -5.536 -8.962 259 HE ARG 53 HE ARG 53 17.416 -7.902 -8.012 260 HH11 ARG 53 HH22 ARG 53 20.619 -6.995 -9.153 261 HH12 ARG 53 HH21 ARG 53 21.443 -8.128 -8.133 262 HH21 ARG 53 HH12 ARG 53 18.502 -9.396 -6.666 263 HH22 ARG 53 HH11 ARG 53 20.231 -9.502 -6.709 264 H GLU 54 H GLU 54 14.964 -8.060 -11.447 265 HA GLU 54 HA GLU 54 15.686 -6.351 -13.525 266 HB2 GLU 54 HB2 GLU 54 16.622 -8.535 -13.549 267 HB3 GLU 54 HB3 GLU 54 15.066 -9.311 -13.334 268 HG2 GLU 54 HG2 GLU 54 15.757 -9.591 -15.659 269 HG3 GLU 54 HG3 GLU 54 14.372 -8.518 -15.616 270 HE2 GLU 54 HE2 GLU 54 15.503 -8.148 -17.681 271 H LYS 55 H LYS 55 12.725 -8.386 -12.979 272 HA LYS 55 HA LYS 55 11.390 -7.683 -15.283 273 HB2 LYS 55 HB2 LYS 55 10.553 -8.638 -12.563 274 HB3 LYS 55 HB3 LYS 55 9.324 -8.132 -13.704 275 HG2 LYS 55 HG2 LYS 55 11.469 -10.246 -14.220 276 HG3 LYS 55 HG3 LYS 55 9.776 -10.566 -13.898 277 HD2 LYS 55 HD2 LYS 55 9.375 -8.945 -15.976 278 HD3 LYS 55 HD3 LYS 55 11.037 -9.345 -16.364 279 HE2 LYS 55 HE2 LYS 55 8.833 -11.408 -15.881 280 HE3 LYS 55 HE3 LYS 55 9.362 -10.877 -17.465 281 HZ1 LYS 55 HZ1 LYS 55 11.558 -11.648 -15.883 282 HZ2 LYS 55 HZ2 LYS 55 10.467 -12.860 -15.965 283 HZ3 LYS 55 HZ3 LYS 55 11.084 -12.223 -17.336 284 H PHE 56 H PHE 56 11.275 -6.111 -12.014 285 HA PHE 56 HA PHE 56 9.554 -4.057 -12.872 286 HB2 PHE 56 HB2 PHE 56 10.424 -5.055 -10.496 287 HB3 PHE 56 HB3 PHE 56 11.617 -3.781 -10.650 288 HD1 PHE 56 HD2 PHE 56 10.478 -1.422 -11.387 289 HD2 PHE 56 HD1 PHE 56 8.566 -4.546 -9.244 290 HE1 PHE 56 HE2 PHE 56 8.839 0.228 -10.443 291 HE2 PHE 56 HE1 PHE 56 6.927 -2.896 -8.301 292 HZ PHE 56 HZ PHE 56 7.083 -0.529 -8.911 293 H GLU 57 H GLU 57 13.076 -4.534 -12.962 294 HA GLU 57 HA GLU 57 13.655 -1.798 -13.330 295 HB2 GLU 57 HB2 GLU 57 15.411 -3.141 -12.445 296 HB3 GLU 57 HB3 GLU 57 15.216 -4.375 -13.674 297 HG2 GLU 57 HG2 GLU 57 15.948 -1.569 -14.536 298 HG3 GLU 57 HG3 GLU 57 17.192 -2.586 -13.836 299 HE2 GLU 57 HE2 GLU 57 16.125 -1.750 -16.700 300 H LYS 58 H LYS 58 12.429 -4.345 -15.358 301 HA LYS 58 HA LYS 58 13.433 -3.208 -17.803 302 HB2 LYS 58 HB2 LYS 58 13.028 -5.687 -17.332 303 HB3 LYS 58 HB3 LYS 58 11.316 -5.345 -17.489 304 HG2 LYS 58 HG2 LYS 58 11.996 -6.018 -19.675 305 HG3 LYS 58 HG3 LYS 58 11.867 -4.273 -19.771 306 HD2 LYS 58 HD2 LYS 58 14.465 -4.427 -19.019 307 HD3 LYS 58 HD3 LYS 58 14.330 -6.002 -19.777 308 HE2 LYS 58 HE2 LYS 58 13.452 -4.919 -21.862 309 HE3 LYS 58 HE3 LYS 58 13.598 -3.346 -21.103 310 HZ1 LYS 58 HZ1 LYS 58 16.023 -4.616 -20.799 311 HZ2 LYS 58 HZ2 LYS 58 15.582 -4.848 -22.354 312 HZ3 LYS 58 HZ3 LYS 58 15.684 -3.333 -21.752 313 H GLY 59 H GLY 59 11.307 -2.065 -15.598 314 HA2 GLY 59 HA2 GLY 59 9.643 -0.816 -17.694 315 HA3 GLY 59 HA3 GLY 59 8.922 -1.475 -16.239 316 H GLU 60 H GLU 60 10.077 -0.693 -14.083 317 HA GLU 60 HA GLU 60 10.700 2.134 -14.442 318 HB2 GLU 60 HB2 GLU 60 8.728 0.786 -12.631 319 HB3 GLU 60 HB3 GLU 60 9.619 2.133 -11.952 320 HG2 GLU 60 HG2 GLU 60 8.225 2.334 -14.654 321 HG3 GLU 60 HG3 GLU 60 7.381 2.671 -13.155 322 HE2 GLU 60 HE2 GLU 60 8.565 5.890 -13.267 323 H VAL 61 H VAL 61 11.455 2.836 -11.879 324 HA VAL 61 HA VAL 61 13.336 2.877 -10.689 325 HB VAL 61 HB VAL 61 13.233 1.375 -9.027 326 HG11 VAL 61 HG11 VAL 61 11.067 0.241 -8.860 327 HG12 VAL 61 HG12 VAL 61 10.880 1.869 -9.554 328 HG13 VAL 61 HG13 VAL 61 10.815 0.439 -10.611 329 HG21 VAL 61 HG21 VAL 61 14.419 -0.450 -9.767 330 HG22 VAL 61 HG22 VAL 61 12.801 -1.176 -9.613 331 HG23 VAL 61 HG23 VAL 61 13.400 -0.669 -11.211 332 H SER 62 H SER 62 13.588 2.225 -13.626 333 HA SER 62 HA SER 62 15.589 0.291 -13.883 334 HB2 SER 62 HB2 SER 62 15.848 1.174 -16.165 335 HB3 SER 62 HB3 SER 62 14.149 1.027 -15.760 336 HG SER 62 HG SER 62 14.643 3.460 -14.992 337 H ASN 63 H ASN 63 15.615 3.342 -12.407 338 HA ASN 63 HA ASN 63 18.168 4.184 -13.294 339 HB2 ASN 63 HB2 ASN 63 16.250 5.027 -11.087 340 HB3 ASN 63 HB3 ASN 63 17.876 5.681 -11.111 341 HD21 ASN 63 HD21 ASN 63 14.987 5.184 -13.100 342 HD22 ASN 63 HD22 ASN 63 15.138 6.603 -14.081 343 H PHE 64 H PHE 64 17.027 1.711 -11.244 344 HA PHE 64 HA PHE 64 17.917 0.422 -9.692 345 HB2 PHE 64 HB2 PHE 64 20.469 1.670 -10.876 346 HB3 PHE 64 HB3 PHE 64 20.494 0.277 -9.813 347 HD1 PHE 64 HD2 PHE 64 19.331 -1.844 -10.579 348 HD2 PHE 64 HD1 PHE 64 20.091 1.417 -13.186 349 HE1 PHE 64 HE2 PHE 64 19.046 -3.360 -12.559 350 HE2 PHE 64 HE1 PHE 64 19.805 -0.099 -15.166 351 HZ PHE 64 HZ PHE 64 19.286 -2.469 -14.829 352 H ASP 65 H ASP 65 16.946 2.726 -8.579 353 HA ASP 65 HA ASP 65 19.080 3.643 -6.834 354 HB2 ASP 65 HB2 ASP 65 16.472 4.781 -7.801 355 HB3 ASP 65 HB3 ASP 65 16.958 5.221 -6.176 356 HD2 ASP 65 HD2 ASP 65 19.976 6.631 -7.368 357 H ASP 66 H ASP 66 15.794 2.179 -7.015 358 HA ASP 66 HA ASP 66 15.944 1.712 -4.143 359 HB2 ASP 66 HB2 ASP 66 13.508 1.597 -5.982 360 HB3 ASP 66 HB3 ASP 66 13.482 1.408 -4.240 361 HD2 ASP 66 HD2 ASP 66 13.236 4.231 -3.283 362 H VAL 67 H VAL 67 17.200 0.202 -6.514 363 HA VAL 67 HA VAL 67 15.771 -2.093 -7.114 364 HB VAL 67 HB VAL 67 17.723 -1.362 -8.332 365 HG11 VAL 67 HG11 VAL 67 18.877 -0.680 -6.033 366 HG12 VAL 67 HG12 VAL 67 19.618 -2.289 -6.210 367 HG13 VAL 67 HG13 VAL 67 19.833 -1.065 -7.484 368 HG21 VAL 67 HG21 VAL 67 17.904 -4.085 -7.030 369 HG22 VAL 67 HG22 VAL 67 17.298 -3.657 -8.648 370 HG23 VAL 67 HG23 VAL 67 19.041 -3.568 -8.298 371 H GLU 68 H GLU 68 18.052 -1.370 -4.404 372 HA GLU 68 HA GLU 68 17.980 -3.940 -3.355 373 HB2 GLU 68 HB2 GLU 68 18.600 -1.230 -2.115 374 HB3 GLU 68 HB3 GLU 68 18.758 -2.726 -1.217 375 HG2 GLU 68 HG2 GLU 68 20.134 -2.257 -3.899 376 HG3 GLU 68 HG3 GLU 68 20.893 -1.881 -2.365 377 HE2 GLU 68 HE2 GLU 68 20.711 -3.619 -0.857 378 H GLU 69 H GLU 69 15.850 -1.097 -2.994 379 HA GLU 69 HA GLU 69 14.477 -2.172 -0.770 380 HB2 GLU 69 HB2 GLU 69 14.705 0.320 -1.657 381 HB3 GLU 69 HB3 GLU 69 13.289 -0.085 -2.606 382 HG2 GLU 69 HG2 GLU 69 12.365 0.790 -0.610 383 HG3 GLU 69 HG3 GLU 69 12.250 -0.942 -0.374 384 HE2 GLU 69 HE2 GLU 69 14.748 1.539 1.325 385 H LEU 70 H LEU 70 14.234 -2.409 -4.296 386 HA LEU 70 HA LEU 70 11.553 -3.374 -4.298 387 HB2 LEU 70 HB2 LEU 70 13.693 -2.829 -6.239 388 HB3 LEU 70 HB3 LEU 70 12.658 -4.178 -6.665 389 HG LEU 70 HG LEU 70 12.094 -1.762 -7.480 390 HD11 LEU 70 HD11 LEU 70 9.913 -2.423 -7.882 391 HD12 LEU 70 HD12 LEU 70 10.735 -3.975 -7.592 392 HD13 LEU 70 HD13 LEU 70 9.753 -3.235 -6.306 393 HD21 LEU 70 HD21 LEU 70 12.206 -0.856 -5.112 394 HD22 LEU 70 HD22 LEU 70 10.777 -0.401 -6.071 395 HD23 LEU 70 HD23 LEU 70 10.648 -1.669 -4.829 396 H VAL 71 H VAL 71 14.834 -4.884 -4.622 397 HA VAL 71 HA VAL 71 13.893 -7.501 -4.830 398 HB VAL 71 HB VAL 71 16.194 -8.107 -4.200 399 HG11 VAL 71 HG11 VAL 71 15.515 -6.135 -6.313 400 HG12 VAL 71 HG12 VAL 71 17.249 -6.364 -5.982 401 HG13 VAL 71 HG13 VAL 71 16.239 -7.756 -6.441 402 HG21 VAL 71 HG21 VAL 71 16.823 -6.601 -2.510 403 HG22 VAL 71 HG22 VAL 71 17.810 -6.120 -3.911 404 HG23 VAL 71 HG23 VAL 71 16.363 -5.179 -3.476 405 H LYS 72 H LYS 72 14.766 -5.453 -1.991 406 HA LYS 72 HA LYS 72 14.438 -7.525 -0.110 407 HB2 LYS 72 HB2 LYS 72 15.747 -5.768 0.638 408 HB3 LYS 72 HB3 LYS 72 14.687 -4.538 -0.020 409 HG2 LYS 72 HG2 LYS 72 14.396 -4.524 2.386 410 HG3 LYS 72 HG3 LYS 72 12.936 -5.201 1.691 411 HD2 LYS 72 HD2 LYS 72 13.458 -6.679 3.479 412 HD3 LYS 72 HD3 LYS 72 14.016 -7.529 2.052 413 HE2 LYS 72 HE2 LYS 72 16.290 -7.146 2.534 414 HE3 LYS 72 HE3 LYS 72 15.959 -5.705 3.476 415 HZ1 LYS 72 HZ1 LYS 72 14.680 -7.617 4.845 416 HZ2 LYS 72 HZ2 LYS 72 15.991 -8.427 4.307 417 HZ3 LYS 72 HZ3 LYS 72 16.178 -7.068 5.192 418 H LYS 73 H LYS 73 12.278 -4.818 -1.197 419 HA LYS 73 HA LYS 73 10.133 -5.472 0.420 420 HB2 LYS 73 HB2 LYS 73 10.332 -4.085 -2.259 421 HB3 LYS 73 HB3 LYS 73 8.807 -4.269 -1.416 422 HG2 LYS 73 HG2 LYS 73 11.124 -3.210 0.184 423 HG3 LYS 73 HG3 LYS 73 10.444 -2.141 -1.027 424 HD2 LYS 73 HD2 LYS 73 9.027 -1.592 0.713 425 HD3 LYS 73 HD3 LYS 73 8.123 -2.958 0.089 426 HE2 LYS 73 HE2 LYS 73 8.506 -3.001 2.606 427 HE3 LYS 73 HE3 LYS 73 9.019 -4.451 1.766 428 HZ1 LYS 73 HZ1 LYS 73 10.932 -2.293 2.175 429 HZ2 LYS 73 HZ2 LYS 73 10.596 -3.311 3.407 430 HZ3 LYS 73 HZ3 LYS 73 11.207 -3.895 2.010 431 H VAL 74 H VAL 74 11.261 -6.859 -2.671 432 HA VAL 74 HA VAL 74 8.898 -8.327 -3.169 433 HB VAL 74 HB VAL 74 11.753 -8.552 -4.121 434 HG11 VAL 74 HG11 VAL 74 11.124 -10.193 -5.709 435 HG12 VAL 74 HG12 VAL 74 10.464 -10.756 -4.155 436 HG13 VAL 74 HG13 VAL 74 9.392 -9.991 -5.352 437 HG21 VAL 74 HG21 VAL 74 9.861 -6.667 -4.711 438 HG22 VAL 74 HG22 VAL 74 11.194 -7.141 -5.790 439 HG23 VAL 74 HG23 VAL 74 9.581 -7.863 -5.999 440 H VAL 75 H VAL 75 12.161 -9.305 -1.892 441 HA VAL 75 HA VAL 75 11.510 -11.909 -1.304 442 HB VAL 75 HB VAL 75 13.587 -9.990 -0.698 443 HG11 VAL 75 HG11 VAL 75 14.441 -11.023 1.364 444 HG12 VAL 75 HG12 VAL 75 12.855 -10.259 1.627 445 HG13 VAL 75 HG13 VAL 75 12.976 -12.028 1.470 446 HG21 VAL 75 HG21 VAL 75 14.232 -12.837 -0.425 447 HG22 VAL 75 HG22 VAL 75 13.333 -12.463 -1.915 448 HG23 VAL 75 HG23 VAL 75 14.862 -11.622 -1.563 449 H ALA 76 H ALA 76 10.773 -8.886 0.446 450 HA ALA 76 HA ALA 76 9.993 -10.124 2.855 451 HB1 ALA 76 HB1 ALA 76 9.521 -7.977 3.516 452 HB2 ALA 76 HB2 ALA 76 10.515 -7.592 2.090 453 HB3 ALA 76 HB3 ALA 76 8.739 -7.557 1.974 454 H VAL 77 H VAL 77 8.298 -9.252 -0.198 455 HA VAL 77 HA VAL 77 5.725 -9.887 0.781 456 HB VAL 77 HB VAL 77 6.766 -9.820 -2.058 457 HG11 VAL 77 HG11 VAL 77 4.137 -8.882 -1.985 458 HG12 VAL 77 HG12 VAL 77 4.689 -10.467 -2.578 459 HG13 VAL 77 HG13 VAL 77 4.136 -10.290 -0.896 460 HG21 VAL 77 HG21 VAL 77 6.939 -7.598 -1.936 461 HG22 VAL 77 HG22 VAL 77 5.313 -7.456 -1.226 462 HG23 VAL 77 HG23 VAL 77 6.723 -7.730 -0.174 463 H CYS 78 H CYS 78 8.198 -11.690 -1.156 464 HA CYS 78 HA CYS 78 6.707 -13.960 -1.578 465 HB2 CYS 78 HB2 CYS 78 9.704 -13.896 -1.115 466 HB3 CYS 78 HB3 CYS 78 8.796 -15.083 -2.031 467 HG CYS 78 HG CYS 78 7.782 -12.394 -3.111 468 H GLU 79 H GLU 79 8.995 -13.109 1.117 469 HA GLU 79 HA GLU 79 8.543 -15.489 2.504 470 HB2 GLU 79 HB2 GLU 79 10.228 -14.699 3.792 471 HB3 GLU 79 HB3 GLU 79 10.286 -13.321 2.710 472 HG2 GLU 79 HG2 GLU 79 10.054 -12.356 4.875 473 HG3 GLU 79 HG3 GLU 79 8.446 -12.257 4.186 474 HE2 GLU 79 HE2 GLU 79 8.611 -15.475 6.503 475 H GLU 80 H GLU 80 6.924 -12.313 2.435 476 HA GLU 80 HA GLU 80 5.490 -12.695 4.811 477 HB2 GLU 80 HB2 GLU 80 5.756 -10.456 3.988 478 HB3 GLU 80 HB3 GLU 80 5.127 -10.873 2.406 479 HG2 GLU 80 HG2 GLU 80 2.887 -11.032 3.190 480 HG3 GLU 80 HG3 GLU 80 3.380 -11.237 4.859 481 HE2 GLU 80 HE2 GLU 80 4.012 -8.094 5.589 482 H LEU 81 H LEU 81 5.180 -13.949 1.563 483 HA LEU 81 HA LEU 81 2.366 -14.539 1.871 484 HB2 LEU 81 HB2 LEU 81 4.401 -14.736 -0.295 485 HB3 LEU 81 HB3 LEU 81 3.025 -15.818 -0.364 486 HG LEU 81 HG LEU 81 3.008 -12.795 -0.411 487 HD11 LEU 81 HD11 LEU 81 1.624 -13.372 -2.538 488 HD12 LEU 81 HD12 LEU 81 3.399 -13.510 -2.576 489 HD13 LEU 81 HD13 LEU 81 2.396 -14.969 -2.392 490 HD21 LEU 81 HD21 LEU 81 0.442 -13.223 -0.710 491 HD22 LEU 81 HD22 LEU 81 0.785 -14.710 0.207 492 HD23 LEU 81 HD23 LEU 81 1.157 -13.121 0.917 493 H GLY 82 H GLY 82 5.453 -15.917 2.666 494 HA2 GLY 82 HA2 GLY 82 6.089 -18.064 3.142 495 HA3 GLY 82 HA3 GLY 82 4.753 -17.890 4.262 496 H ALA 83 H ALA 83 4.968 -18.346 0.656 497 HA ALA 83 HA ALA 83 3.322 -20.753 1.007 498 HB1 ALA 83 HB1 ALA 83 1.767 -20.029 -0.503 499 HB2 ALA 83 HB2 ALA 83 2.317 -18.425 0.038 500 HB3 ALA 83 HB3 ALA 83 2.964 -19.128 -1.464 501 H GLU 84 H GLU 84 4.030 -22.541 -0.116 502 HA GLU 84 HA GLU 84 5.971 -22.084 -2.210 503 HB2 GLU 84 HB2 GLU 84 6.469 -23.767 0.277 504 HB3 GLU 84 HB3 GLU 84 7.396 -23.975 -1.195 505 HG2 GLU 84 HG2 GLU 84 8.724 -22.441 -0.011 506 HG3 GLU 84 HG3 GLU 84 7.795 -21.378 -1.048 507 HE2 GLU 84 HE2 GLU 84 7.777 -19.692 0.394 508 H GLU 85 H GLU 85 3.065 -23.071 -1.737 509 HA GLU 85 HA GLU 85 2.954 -24.860 -3.763 510 HB2 GLU 85 HB2 GLU 85 4.078 -26.190 -1.592 511 HB3 GLU 85 HB3 GLU 85 2.386 -26.624 -1.455 512 HG2 GLU 85 HG2 GLU 85 2.355 -27.752 -3.504 513 HG3 GLU 85 HG3 GLU 85 3.625 -26.762 -4.196 514 HE2 GLU 85 HE2 GLU 85 4.671 -29.803 -1.774 515 H CYS 86 H CYS 86 0.720 -25.800 -4.025 516 HA CYS 86 HA CYS 86 -1.158 -24.189 -2.469 517 HB2 CYS 86 HB2 CYS 86 -1.501 -23.585 -4.682 518 HB3 CYS 86 HB3 CYS 86 -1.159 -25.189 -5.299 519 H PHE 87 H PHE 87 -1.353 -25.619 -0.652 520 HA PHE 87 HA PHE 87 -1.555 -28.359 -0.789 521 HB2 PHE 87 HB2 PHE 87 -1.294 -26.784 1.232 522 HB3 PHE 87 HB3 PHE 87 -2.990 -26.372 1.074 523 HD1 PHE 87 HD2 PHE 87 -1.172 -29.637 0.967 524 HD2 PHE 87 HD1 PHE 87 -4.164 -27.278 2.835 525 HE1 PHE 87 HE2 PHE 87 -1.780 -31.575 2.441 526 HE2 PHE 87 HE1 PHE 87 -4.772 -29.216 4.309 527 HZ PHE 87 HZ PHE 87 -3.573 -31.342 4.095 528 H SER 88 H SER 88 -3.969 -25.842 -1.472 529 HA SER 88 HA SER 88 -6.252 -27.304 -1.120 530 HB2 SER 88 HB2 SER 88 -5.679 -25.206 -3.261 531 HB3 SER 88 HB3 SER 88 -7.276 -25.719 -2.754 532 HG SER 88 HG SER 88 -5.950 -25.051 -0.505 533 H CYS 89 H CYS 89 -3.670 -27.763 -3.376 534 HA CYS 89 HA CYS 89 -4.970 -28.683 -5.614 535 HB2 CYS 89 HB2 CYS 89 -2.279 -29.052 -4.414 536 HB3 CYS 89 HB3 CYS 89 -2.766 -30.276 -5.569 537 H ASP 90 H ASP 90 -4.164 -30.278 -2.484 538 HA ASP 90 HA ASP 90 -5.436 -32.693 -3.440 539 HB2 ASP 90 HB2 ASP 90 -3.193 -32.573 -2.101 540 HB3 ASP 90 HB3 ASP 90 -4.191 -32.237 -0.700 541 HD2 ASP 90 HD2 ASP 90 -4.029 -34.528 0.376 542 H PHE 91 H PHE 91 -6.839 -30.053 -2.766 543 HA PHE 91 HA PHE 91 -8.076 -30.278 -0.262 544 HB2 PHE 91 HB2 PHE 91 -7.953 -28.201 -1.646 545 HB3 PHE 91 HB3 PHE 91 -8.830 -28.982 -2.947 546 HD1 PHE 91 HD2 PHE 91 -10.124 -29.873 0.249 547 HD2 PHE 91 HD1 PHE 91 -10.228 -26.841 -2.718 548 HE1 PHE 91 HE2 PHE 91 -12.287 -29.021 1.195 549 HE2 PHE 91 HE1 PHE 91 -12.391 -25.989 -1.772 550 HZ PHE 91 HZ PHE 91 -13.394 -27.090 0.174 551 H ASP 92 H ASP 92 -9.317 -31.989 0.363 552 HA ASP 92 HA ASP 92 -10.735 -33.468 -1.613 553 HB2 ASP 92 HB2 ASP 92 -10.797 -33.666 1.435 554 HB3 ASP 92 HB3 ASP 92 -11.448 -34.860 0.331 555 HD2 ASP 92 HD2 ASP 92 -8.546 -35.703 -1.053 Start of MODEL 5 1 H SER 16 H SER 16 0.530 2.045 -8.735 2 HA SER 16 HA SER 16 1.354 1.325 -6.158 3 HB2 SER 16 HB2 SER 16 -1.209 1.170 -7.737 4 HB3 SER 16 HB3 SER 16 -1.102 0.252 -6.248 5 HG SER 16 HG SER 16 -0.227 2.478 -5.386 6 H GLU 17 H GLU 17 0.869 -0.917 -5.176 7 HA GLU 17 HA GLU 17 1.593 -2.984 -5.074 8 HB2 GLU 17 HB2 GLU 17 0.322 -4.573 -6.444 9 HB3 GLU 17 HB3 GLU 17 -0.719 -3.255 -5.945 10 HG2 GLU 17 HG2 GLU 17 -0.697 -2.248 -8.108 11 HG3 GLU 17 HG3 GLU 17 0.740 -3.119 -8.604 12 HE2 GLU 17 HE2 GLU 17 -1.830 -5.854 -7.889 13 H ALA 18 H ALA 18 3.414 -1.185 -6.520 14 HA ALA 18 HA ALA 18 4.377 -2.402 -8.858 15 HB1 ALA 18 HB1 ALA 18 5.841 -0.658 -8.834 16 HB2 ALA 18 HB2 ALA 18 4.789 -0.048 -7.534 17 HB3 ALA 18 HB3 ALA 18 6.287 -0.922 -7.131 18 H VAL 19 H VAL 19 5.168 -2.767 -5.360 19 HA VAL 19 HA VAL 19 7.348 -4.510 -5.820 20 HB VAL 19 HB VAL 19 7.056 -3.145 -3.808 21 HG11 VAL 19 HG11 VAL 19 4.529 -3.508 -3.721 22 HG12 VAL 19 HG12 VAL 19 4.885 -5.060 -2.926 23 HG13 VAL 19 HG13 VAL 19 5.396 -3.534 -2.167 24 HG21 VAL 19 HG21 VAL 19 7.321 -6.133 -3.582 25 HG22 VAL 19 HG22 VAL 19 8.562 -4.867 -3.424 26 HG23 VAL 19 HG23 VAL 19 7.377 -5.120 -2.120 27 H TYR 20 H TYR 20 3.921 -5.059 -4.735 28 HA TYR 20 HA TYR 20 3.984 -7.782 -4.577 29 HB2 TYR 20 HB2 TYR 20 1.997 -5.619 -5.395 30 HB3 TYR 20 HB3 TYR 20 1.484 -7.287 -5.556 31 HD1 TYR 20 HD1 TYR 20 2.813 -8.481 -3.134 32 HD2 TYR 20 HD2 TYR 20 0.651 -4.823 -3.636 33 HE1 TYR 20 HE1 TYR 20 2.171 -8.514 -0.675 34 HE2 TYR 20 HE2 TYR 20 0.016 -4.869 -1.175 35 HH TYR 20 HH TYR 20 -0.267 -6.688 0.575 36 H ILE 21 H ILE 21 3.401 -5.737 -7.510 37 HA ILE 21 HA ILE 21 2.983 -7.978 -9.190 38 HB ILE 21 HB ILE 21 2.240 -5.517 -9.433 39 HG12 ILE 21 HG12 ILE 21 3.289 -7.054 -11.828 40 HG13 ILE 21 HG13 ILE 21 1.762 -7.354 -11.021 41 HG21 ILE 21 HG21 ILE 21 5.052 -5.399 -10.530 42 HG22 ILE 21 HG22 ILE 21 3.772 -4.268 -11.028 43 HG23 ILE 21 HG23 ILE 21 4.281 -4.340 -9.324 44 HD11 ILE 21 HD11 ILE 21 0.832 -5.812 -12.395 45 HD12 ILE 21 HD12 ILE 21 1.757 -4.571 -11.516 46 HD13 ILE 21 HD13 ILE 21 2.431 -5.305 -12.991 47 H ALA 22 H ALA 22 5.811 -6.117 -8.087 48 HA ALA 22 HA ALA 22 7.611 -6.954 -10.043 49 HB1 ALA 22 HB1 ALA 22 8.626 -5.340 -8.823 50 HB2 ALA 22 HB2 ALA 22 7.648 -5.694 -7.378 51 HB3 ALA 22 HB3 ALA 22 9.101 -6.661 -7.728 52 H ILE 23 H ILE 23 6.278 -8.543 -7.144 53 HA ILE 23 HA ILE 23 8.103 -10.786 -7.582 54 HB ILE 23 HB ILE 23 8.255 -10.699 -5.387 55 HG12 ILE 23 HG12 ILE 23 6.460 -12.516 -5.792 56 HG13 ILE 23 HG13 ILE 23 6.759 -11.966 -4.155 57 HG21 ILE 23 HG21 ILE 23 6.899 -9.233 -3.959 58 HG22 ILE 23 HG22 ILE 23 7.503 -8.383 -5.401 59 HG23 ILE 23 HG23 ILE 23 5.806 -8.914 -5.327 60 HD11 ILE 23 HD11 ILE 23 4.832 -10.359 -4.370 61 HD12 ILE 23 HD12 ILE 23 4.502 -11.030 -5.986 62 HD13 ILE 23 HD13 ILE 23 4.342 -12.062 -4.544 63 H GLU 24 H GLU 24 4.844 -9.651 -8.093 64 HA GLU 24 HA GLU 24 3.915 -12.373 -8.439 65 HB2 GLU 24 HB2 GLU 24 2.515 -9.680 -8.309 66 HB3 GLU 24 HB3 GLU 24 1.677 -11.114 -8.869 67 HG2 GLU 24 HG2 GLU 24 2.842 -12.080 -6.565 68 HG3 GLU 24 HG3 GLU 24 2.593 -10.404 -6.118 69 HE2 GLU 24 HE2 GLU 24 0.129 -12.606 -7.910 70 H ALA 25 H ALA 25 5.755 -10.410 -10.216 71 HA ALA 25 HA ALA 25 4.253 -10.279 -12.650 72 HB1 ALA 25 HB1 ALA 25 5.827 -8.553 -12.359 73 HB2 ALA 25 HB2 ALA 25 7.088 -9.671 -11.786 74 HB3 ALA 25 HB3 ALA 25 6.630 -9.652 -13.506 75 H GLY 26 H GLY 26 5.653 -12.807 -10.921 76 HA2 GLY 26 HA2 GLY 26 5.201 -14.870 -12.473 77 HA3 GLY 26 HA3 GLY 26 6.624 -14.244 -13.280 78 H THR 27 H THR 27 7.408 -13.146 -10.391 79 HA THR 27 HA THR 27 9.196 -15.246 -9.808 80 HB THR 27 HB THR 27 8.704 -12.504 -9.079 81 HG1 THR 27 HG1 THR 27 10.691 -14.566 -8.429 82 HG21 THR 27 HG21 THR 27 9.075 -12.486 -6.710 83 HG22 THR 27 HG22 THR 27 7.765 -13.672 -6.928 84 HG23 THR 27 HG23 THR 27 9.437 -14.229 -6.674 85 H LEU 28 H LEU 28 5.918 -14.457 -8.680 86 HA LEU 28 HA LEU 28 6.080 -16.869 -7.010 87 HB2 LEU 28 HB2 LEU 28 5.550 -14.214 -6.215 88 HB3 LEU 28 HB3 LEU 28 4.013 -15.056 -6.163 89 HG LEU 28 HG LEU 28 6.279 -16.512 -4.933 90 HD11 LEU 28 HD11 LEU 28 6.702 -15.162 -3.135 91 HD12 LEU 28 HD12 LEU 28 6.474 -13.934 -4.403 92 HD13 LEU 28 HD13 LEU 28 5.152 -14.298 -3.269 93 HD21 LEU 28 HD21 LEU 28 4.232 -16.376 -3.111 94 HD22 LEU 28 HD22 LEU 28 3.366 -16.263 -4.662 95 HD23 LEU 28 HD23 LEU 28 4.442 -17.644 -4.342 96 H ALA 29 H ALA 29 4.345 -18.328 -7.145 97 HA ALA 29 HA ALA 29 2.320 -17.639 -9.157 98 HB1 ALA 29 HB1 ALA 29 2.489 -20.145 -9.761 99 HB2 ALA 29 HB2 ALA 29 3.797 -19.077 -10.325 100 HB3 ALA 29 HB3 ALA 29 4.047 -20.117 -8.902 101 H GLU 30 H GLU 30 0.214 -18.282 -8.666 102 HA GLU 30 HA GLU 30 -0.097 -19.926 -6.304 103 HB2 GLU 30 HB2 GLU 30 -1.536 -18.400 -5.173 104 HB3 GLU 30 HB3 GLU 30 -0.166 -17.435 -5.687 105 HG2 GLU 30 HG2 GLU 30 -1.837 -16.050 -6.475 106 HG3 GLU 30 HG3 GLU 30 -1.708 -17.090 -7.880 107 HE2 GLU 30 HE2 GLU 30 -4.452 -17.148 -5.102 108 H CYS 31 H CYS 31 -2.062 -21.148 -6.276 109 HA CYS 31 HA CYS 31 -3.055 -21.828 -8.763 110 HB2 CYS 31 HB2 CYS 31 -3.242 -22.849 -6.199 111 HB3 CYS 31 HB3 CYS 31 -4.893 -22.362 -6.528 112 H GLU 32 H GLU 32 -4.518 -20.797 -10.085 113 HA GLU 32 HA GLU 32 -5.767 -18.439 -9.089 114 HB2 GLU 32 HB2 GLU 32 -6.505 -18.124 -11.417 115 HB3 GLU 32 HB3 GLU 32 -4.800 -18.525 -11.367 116 HG2 GLU 32 HG2 GLU 32 -5.349 -20.917 -11.867 117 HG3 GLU 32 HG3 GLU 32 -7.054 -20.514 -11.919 118 HE2 GLU 32 HE2 GLU 32 -6.093 -18.108 -14.523 119 H VAL 33 H VAL 33 -6.499 -21.674 -8.793 120 HA VAL 33 HA VAL 33 -9.386 -21.203 -9.031 121 HB VAL 33 HB VAL 33 -9.282 -23.080 -10.206 122 HG11 VAL 33 HG11 VAL 33 -6.523 -23.547 -9.032 123 HG12 VAL 33 HG12 VAL 33 -7.280 -24.586 -10.263 124 HG13 VAL 33 HG13 VAL 33 -6.920 -22.883 -10.634 125 HG21 VAL 33 HG21 VAL 33 -10.281 -24.127 -8.359 126 HG22 VAL 33 HG22 VAL 33 -8.965 -25.233 -8.820 127 HG23 VAL 33 HG23 VAL 33 -8.765 -24.144 -7.427 128 H HIS 34 H HIS 34 -6.800 -21.229 -6.843 129 HA HIS 34 HA HIS 34 -8.680 -21.764 -4.668 130 HB2 HIS 34 HB2 HIS 34 -5.787 -22.471 -4.344 131 HB3 HIS 34 HB3 HIS 34 -7.190 -23.089 -3.496 132 HD1 HIS 34 HD1 HIS 34 -6.442 -23.052 -7.263 133 HD2 HIS 34 HD2 HIS 34 -7.270 -25.738 -4.149 134 HE1 HIS 34 HE1 HIS 34 -6.598 -25.363 -8.335 135 H GLU 35 H GLU 35 -9.097 -19.644 -4.101 136 HA GLU 35 HA GLU 35 -7.057 -17.705 -4.159 137 HB2 GLU 35 HB2 GLU 35 -8.731 -16.180 -3.489 138 HB3 GLU 35 HB3 GLU 35 -9.622 -17.391 -4.388 139 HG2 GLU 35 HG2 GLU 35 -10.137 -18.560 -2.191 140 HG3 GLU 35 HG3 GLU 35 -9.362 -17.232 -1.349 141 HE2 GLU 35 HE2 GLU 35 -11.840 -16.917 -0.555 142 H GLY 36 H GLY 36 -5.513 -17.270 -2.640 143 HA2 GLY 36 HA2 GLY 36 -5.013 -16.799 -0.345 144 HA3 GLY 36 HA3 GLY 36 -6.043 -18.133 0.135 145 H THR 37 H THR 37 -4.994 -19.801 -2.237 146 HA THR 37 HA THR 37 -2.644 -20.780 -0.822 147 HB THR 37 HB THR 37 -3.279 -22.411 -3.060 148 HG1 THR 37 HG1 THR 37 -5.707 -21.969 -1.634 149 HG21 THR 37 HG21 THR 37 -2.854 -23.502 -0.964 150 HG22 THR 37 HG22 THR 37 -4.036 -22.484 -0.107 151 HG23 THR 37 HG23 THR 37 -4.597 -23.744 -1.232 152 H TYR 38 H TYR 38 -0.670 -20.084 -1.315 153 HA TYR 38 HA TYR 38 -0.174 -19.433 -4.141 154 HB2 TYR 38 HB2 TYR 38 0.328 -18.031 -1.496 155 HB3 TYR 38 HB3 TYR 38 1.598 -17.888 -2.695 156 HD1 TYR 38 HD1 TYR 38 -2.159 -17.772 -2.851 157 HD2 TYR 38 HD2 TYR 38 1.546 -15.831 -3.753 158 HE1 TYR 38 HE1 TYR 38 -3.420 -15.868 -3.968 159 HE2 TYR 38 HE2 TYR 38 0.272 -13.933 -4.866 160 HH TYR 38 HH TYR 38 -1.700 -13.337 -5.698 161 H PHE 39 H PHE 39 2.390 -19.255 -4.438 162 HA PHE 39 HA PHE 39 3.986 -20.857 -2.775 163 HB2 PHE 39 HB2 PHE 39 4.079 -22.876 -4.122 164 HB3 PHE 39 HB3 PHE 39 2.369 -22.524 -3.975 165 HD1 PHE 39 HD1 PHE 39 5.251 -22.486 -6.246 166 HD2 PHE 39 HD2 PHE 39 1.073 -21.833 -5.887 167 HE1 PHE 39 HE1 PHE 39 5.038 -22.476 -8.747 168 HE2 PHE 39 HE2 PHE 39 0.860 -21.823 -8.388 169 HZ PHE 39 HZ PHE 39 2.845 -22.145 -9.788 170 H SER 40 H SER 40 5.950 -19.919 -3.040 171 HA SER 40 HA SER 40 6.451 -18.616 -5.564 172 HB2 SER 40 HB2 SER 40 8.103 -17.349 -4.430 173 HB3 SER 40 HB3 SER 40 6.822 -17.535 -3.249 174 HG SER 40 HG SER 40 8.117 -18.691 -1.983 175 H ASP 41 H ASP 41 8.512 -18.954 -6.735 176 HA ASP 41 HA ASP 41 9.061 -21.526 -7.262 177 HB2 ASP 41 HB2 ASP 41 9.990 -19.072 -8.129 178 HB3 ASP 41 HB3 ASP 41 11.433 -19.717 -7.372 179 HD2 ASP 41 HD2 ASP 41 10.594 -20.631 -10.966 180 H SER 42 H SER 42 9.426 -22.919 -5.453 181 HA SER 42 HA SER 42 11.117 -22.167 -3.346 182 HB2 SER 42 HB2 SER 42 9.535 -23.758 -2.708 183 HB3 SER 42 HB3 SER 42 9.678 -24.665 -4.200 184 HG SER 42 HG SER 42 11.455 -24.665 -1.930 185 H GLY 43 H GLY 43 13.295 -22.742 -2.913 186 HA2 GLY 43 HA2 GLY 43 15.180 -24.151 -3.381 187 HA3 GLY 43 HA3 GLY 43 14.696 -24.205 -5.065 188 H ASP 44 H ASP 44 13.922 -21.240 -4.994 189 HA ASP 44 HA ASP 44 16.534 -20.063 -4.622 190 HB2 ASP 44 HB2 ASP 44 16.183 -20.878 -7.060 191 HB3 ASP 44 HB3 ASP 44 14.944 -19.645 -7.189 192 HD2 ASP 44 HD2 ASP 44 17.110 -19.842 -8.671 193 H ILE 45 H ILE 45 15.393 -18.963 -2.827 194 HA ILE 45 HA ILE 45 13.006 -17.508 -3.329 195 HB ILE 45 HB ILE 45 14.846 -18.005 -1.078 196 HG12 ILE 45 HG12 ILE 45 12.561 -19.101 -1.673 197 HG13 ILE 45 HG13 ILE 45 12.942 -18.733 -0.002 198 HG21 ILE 45 HG21 ILE 45 13.502 -15.373 -1.478 199 HG22 ILE 45 HG22 ILE 45 13.460 -16.097 0.147 200 HG23 ILE 45 HG23 ILE 45 15.022 -15.776 -0.645 201 HD11 ILE 45 HD11 ILE 45 11.238 -17.239 0.160 202 HD12 ILE 45 HD12 ILE 45 11.703 -16.436 -1.359 203 HD13 ILE 45 HD13 ILE 45 10.668 -17.883 -1.398 204 H SER 46 H SER 46 16.494 -16.864 -3.535 205 HA SER 46 HA SER 46 16.359 -14.107 -3.464 206 HB2 SER 46 HB2 SER 46 18.295 -15.992 -4.873 207 HB3 SER 46 HB3 SER 46 18.550 -14.261 -4.778 208 HG SER 46 HG SER 46 19.312 -14.517 -2.802 209 H GLU 47 H GLU 47 15.425 -16.448 -5.912 210 HA GLU 47 HA GLU 47 15.740 -14.931 -8.182 211 HB2 GLU 47 HB2 GLU 47 15.224 -17.273 -8.367 212 HB3 GLU 47 HB3 GLU 47 13.751 -17.104 -7.433 213 HG2 GLU 47 HG2 GLU 47 12.534 -16.438 -9.249 214 HG3 GLU 47 HG3 GLU 47 13.777 -15.327 -9.788 215 HE2 GLU 47 HE2 GLU 47 15.541 -17.959 -11.441 216 H ALA 48 H ALA 48 13.474 -14.638 -5.517 217 HA ALA 48 HA ALA 48 11.385 -13.339 -6.858 218 HB1 ALA 48 HB1 ALA 48 12.162 -12.750 -4.001 219 HB2 ALA 48 HB2 ALA 48 10.543 -12.956 -4.711 220 HB3 ALA 48 HB3 ALA 48 11.588 -14.374 -4.453 221 H GLU 49 H GLU 49 14.292 -12.088 -5.082 222 HA GLU 49 HA GLU 49 13.653 -9.417 -5.661 223 HB2 GLU 49 HB2 GLU 49 16.012 -8.986 -4.863 224 HB3 GLU 49 HB3 GLU 49 15.031 -9.907 -3.741 225 HG2 GLU 49 HG2 GLU 49 16.112 -11.974 -4.307 226 HG3 GLU 49 HG3 GLU 49 16.800 -11.312 -5.776 227 HE2 GLU 49 HE2 GLU 49 19.253 -11.882 -4.072 228 H GLU 50 H GLU 50 15.644 -11.945 -7.236 229 HA GLU 50 HA GLU 50 17.011 -10.292 -8.969 230 HB2 GLU 50 HB2 GLU 50 16.221 -13.206 -8.988 231 HB3 GLU 50 HB3 GLU 50 16.951 -12.520 -10.426 232 HG2 GLU 50 HG2 GLU 50 18.263 -11.987 -7.757 233 HG3 GLU 50 HG3 GLU 50 18.456 -13.573 -8.478 234 HE2 GLU 50 HE2 GLU 50 19.937 -10.302 -9.006 235 H LEU 51 H LEU 51 14.010 -12.262 -9.587 236 HA LEU 51 HA LEU 51 13.543 -11.222 -12.122 237 HB2 LEU 51 HB2 LEU 51 11.820 -12.550 -10.050 238 HB3 LEU 51 HB3 LEU 51 11.135 -11.970 -11.555 239 HG LEU 51 HG LEU 51 13.523 -13.793 -11.624 240 HD11 LEU 51 HD11 LEU 51 10.681 -14.815 -11.442 241 HD12 LEU 51 HD12 LEU 51 12.188 -15.759 -11.501 242 HD13 LEU 51 HD13 LEU 51 11.810 -14.776 -10.066 243 HD21 LEU 51 HD21 LEU 51 13.182 -13.604 -13.806 244 HD22 LEU 51 HD22 LEU 51 11.600 -14.394 -13.607 245 HD23 LEU 51 HD23 LEU 51 11.725 -12.620 -13.531 246 H ALA 52 H ALA 52 12.670 -10.056 -8.849 247 HA ALA 52 HA ALA 52 10.887 -8.064 -9.729 248 HB1 ALA 52 HB1 ALA 52 11.691 -7.116 -7.364 249 HB2 ALA 52 HB2 ALA 52 10.641 -8.548 -7.486 250 HB3 ALA 52 HB3 ALA 52 12.390 -8.747 -7.224 251 H ARG 53 H ARG 53 14.435 -8.268 -9.370 252 HA ARG 53 HA ARG 53 14.897 -5.537 -9.506 253 HB2 ARG 53 HB2 ARG 53 16.491 -8.049 -9.828 254 HB3 ARG 53 HB3 ARG 53 17.176 -6.639 -10.612 255 HG2 ARG 53 HG2 ARG 53 16.844 -5.384 -8.386 256 HG3 ARG 53 HG3 ARG 53 16.453 -6.932 -7.663 257 HD2 ARG 53 HD2 ARG 53 18.886 -6.271 -7.406 258 HD3 ARG 53 HD3 ARG 53 18.657 -7.829 -8.174 259 HE ARG 53 HE ARG 53 19.429 -6.937 -10.226 260 HH11 ARG 53 HH22 ARG 53 18.988 -4.374 -7.855 261 HH12 ARG 53 HH21 ARG 53 19.823 -3.184 -8.797 262 HH21 ARG 53 HH12 ARG 53 20.530 -5.368 -11.469 263 HH22 ARG 53 HH11 ARG 53 20.706 -3.753 -10.867 264 H GLU 54 H GLU 54 14.690 -8.139 -12.007 265 HA GLU 54 HA GLU 54 15.405 -6.414 -14.115 266 HB2 GLU 54 HB2 GLU 54 15.685 -8.908 -14.149 267 HB3 GLU 54 HB3 GLU 54 13.943 -9.090 -14.205 268 HG2 GLU 54 HG2 GLU 54 14.004 -7.594 -16.323 269 HG3 GLU 54 HG3 GLU 54 15.741 -7.820 -16.310 270 HE2 GLU 54 HE2 GLU 54 15.691 -9.996 -18.214 271 H LYS 55 H LYS 55 12.254 -7.904 -13.070 272 HA LYS 55 HA LYS 55 10.652 -6.688 -14.941 273 HB2 LYS 55 HB2 LYS 55 10.250 -7.834 -12.211 274 HB3 LYS 55 HB3 LYS 55 8.948 -6.879 -12.890 275 HG2 LYS 55 HG2 LYS 55 8.557 -9.168 -13.561 276 HG3 LYS 55 HG3 LYS 55 9.081 -8.304 -14.993 277 HD2 LYS 55 HD2 LYS 55 11.479 -9.104 -14.427 278 HD3 LYS 55 HD3 LYS 55 10.742 -10.172 -13.249 279 HE2 LYS 55 HE2 LYS 55 9.837 -10.147 -16.158 280 HE3 LYS 55 HE3 LYS 55 11.187 -11.130 -15.628 281 HZ1 LYS 55 HZ1 LYS 55 9.534 -11.919 -13.860 282 HZ2 LYS 55 HZ2 LYS 55 8.384 -11.342 -14.866 283 HZ3 LYS 55 HZ3 LYS 55 9.404 -12.512 -15.376 284 H PHE 56 H PHE 56 11.551 -5.503 -11.630 285 HA PHE 56 HA PHE 56 10.162 -3.082 -11.906 286 HB2 PHE 56 HB2 PHE 56 11.021 -4.250 -9.788 287 HB3 PHE 56 HB3 PHE 56 12.656 -3.846 -10.271 288 HD1 PHE 56 HD2 PHE 56 13.247 -1.364 -10.503 289 HD2 PHE 56 HD1 PHE 56 9.745 -2.736 -8.538 290 HE1 PHE 56 HE2 PHE 56 13.058 0.834 -9.305 291 HE2 PHE 56 HE1 PHE 56 9.556 -0.538 -7.340 292 HZ PHE 56 HZ PHE 56 11.215 1.220 -7.738 293 H GLU 57 H GLU 57 13.410 -4.173 -12.883 294 HA GLU 57 HA GLU 57 14.487 -1.614 -13.190 295 HB2 GLU 57 HB2 GLU 57 16.078 -3.338 -13.066 296 HB3 GLU 57 HB3 GLU 57 15.196 -4.381 -14.164 297 HG2 GLU 57 HG2 GLU 57 16.223 -1.751 -15.230 298 HG3 GLU 57 HG3 GLU 57 17.382 -3.036 -14.957 299 HE2 GLU 57 HE2 GLU 57 15.218 -1.811 -16.957 300 H LYS 58 H LYS 58 12.364 -3.642 -15.165 301 HA LYS 58 HA LYS 58 12.734 -1.848 -17.441 302 HB2 LYS 58 HB2 LYS 58 11.190 -4.453 -17.281 303 HB3 LYS 58 HB3 LYS 58 11.556 -3.536 -18.729 304 HG2 LYS 58 HG2 LYS 58 13.907 -3.996 -18.569 305 HG3 LYS 58 HG3 LYS 58 13.781 -4.512 -16.900 306 HD2 LYS 58 HD2 LYS 58 13.978 -6.537 -18.156 307 HD3 LYS 58 HD3 LYS 58 12.282 -6.435 -17.727 308 HE2 LYS 58 HE2 LYS 58 13.172 -5.204 -20.340 309 HE3 LYS 58 HE3 LYS 58 13.047 -6.949 -20.244 310 HZ1 LYS 58 HZ1 LYS 58 10.766 -6.355 -19.187 311 HZ2 LYS 58 HZ2 LYS 58 10.950 -4.962 -20.018 312 HZ3 LYS 58 HZ3 LYS 58 10.945 -6.390 -20.810 313 H GLY 59 H GLY 59 11.093 -1.779 -14.615 314 HA2 GLY 59 HA2 GLY 59 8.887 -0.269 -15.823 315 HA3 GLY 59 HA3 GLY 59 8.497 -1.586 -14.736 316 H GLU 60 H GLU 60 10.171 1.574 -15.015 317 HA GLU 60 HA GLU 60 11.007 1.780 -12.405 318 HB2 GLU 60 HB2 GLU 60 10.290 3.782 -14.554 319 HB3 GLU 60 HB3 GLU 60 10.675 4.356 -12.943 320 HG2 GLU 60 HG2 GLU 60 12.647 4.195 -14.586 321 HG3 GLU 60 HG3 GLU 60 12.891 3.453 -13.017 322 HE2 GLU 60 HE2 GLU 60 13.603 2.041 -16.219 323 H VAL 61 H VAL 61 10.107 3.176 -10.631 324 HA VAL 61 HA VAL 61 7.316 3.799 -10.736 325 HB VAL 61 HB VAL 61 7.175 1.409 -10.370 326 HG11 VAL 61 HG11 VAL 61 9.157 1.956 -8.161 327 HG12 VAL 61 HG12 VAL 61 8.083 0.538 -8.107 328 HG13 VAL 61 HG13 VAL 61 9.224 0.739 -9.458 329 HG21 VAL 61 HG21 VAL 61 5.672 3.095 -9.149 330 HG22 VAL 61 HG22 VAL 61 5.708 1.428 -8.526 331 HG23 VAL 61 HG23 VAL 61 6.625 2.709 -7.696 332 H SER 62 H SER 62 6.622 4.640 -8.453 333 HA SER 62 HA SER 62 8.501 6.574 -7.756 334 HB2 SER 62 HB2 SER 62 6.055 6.897 -7.546 335 HB3 SER 62 HB3 SER 62 5.976 5.657 -6.310 336 HG SER 62 HG SER 62 6.620 8.321 -6.059 337 H ASN 63 H ASN 63 8.338 3.268 -6.995 338 HA ASN 63 HA ASN 63 9.307 3.545 -4.317 339 HB2 ASN 63 HB2 ASN 63 9.157 1.049 -6.086 340 HB3 ASN 63 HB3 ASN 63 9.373 1.064 -4.347 341 HD21 ASN 63 HD21 ASN 63 7.654 2.682 -3.293 342 HD22 ASN 63 HD22 ASN 63 6.007 2.323 -3.691 343 H PHE 64 H PHE 64 10.538 3.673 -7.522 344 HA PHE 64 HA PHE 64 12.884 2.254 -7.433 345 HB2 PHE 64 HB2 PHE 64 13.452 3.685 -9.303 346 HB3 PHE 64 HB3 PHE 64 11.700 3.661 -9.302 347 HD1 PHE 64 HD2 PHE 64 10.920 5.563 -7.295 348 HD2 PHE 64 HD1 PHE 64 14.178 5.754 -10.007 349 HE1 PHE 64 HE2 PHE 64 10.885 8.069 -7.161 350 HE2 PHE 64 HE1 PHE 64 14.143 8.260 -9.873 351 HZ PHE 64 HZ PHE 64 12.497 9.388 -8.451 352 H ASP 65 H ASP 65 11.951 5.036 -5.561 353 HA ASP 65 HA ASP 65 14.094 6.518 -5.224 354 HB2 ASP 65 HB2 ASP 65 12.136 6.887 -3.865 355 HB3 ASP 65 HB3 ASP 65 12.260 5.304 -3.123 356 HD2 ASP 65 HD2 ASP 65 12.459 7.753 -1.207 357 H ASP 66 H ASP 66 13.695 3.104 -4.301 358 HA ASP 66 HA ASP 66 16.506 2.975 -3.756 359 HB2 ASP 66 HB2 ASP 66 14.350 2.377 -1.708 360 HB3 ASP 66 HB3 ASP 66 15.857 1.485 -1.661 361 HD2 ASP 66 HD2 ASP 66 15.382 2.884 0.464 362 H VAL 67 H VAL 67 16.847 1.448 -5.420 363 HA VAL 67 HA VAL 67 14.971 -0.503 -6.136 364 HB VAL 67 HB VAL 67 17.958 -0.510 -6.596 365 HG11 VAL 67 HG11 VAL 67 16.562 -2.573 -7.169 366 HG12 VAL 67 HG12 VAL 67 15.783 -1.569 -8.415 367 HG13 VAL 67 HG13 VAL 67 17.536 -1.872 -8.485 368 HG21 VAL 67 HG21 VAL 67 17.405 1.605 -7.368 369 HG22 VAL 67 HG22 VAL 67 17.158 0.614 -8.826 370 HG23 VAL 67 HG23 VAL 67 15.760 1.119 -7.847 371 H GLU 68 H GLU 68 18.137 -0.829 -4.370 372 HA GLU 68 HA GLU 68 17.942 -3.455 -3.789 373 HB2 GLU 68 HB2 GLU 68 19.652 -3.093 -2.219 374 HB3 GLU 68 HB3 GLU 68 19.813 -1.706 -3.279 375 HG2 GLU 68 HG2 GLU 68 18.447 -0.333 -1.694 376 HG3 GLU 68 HG3 GLU 68 18.279 -1.720 -0.635 377 HE2 GLU 68 HE2 GLU 68 21.087 0.634 0.043 378 H GLU 69 H GLU 69 16.417 -0.677 -2.080 379 HA GLU 69 HA GLU 69 15.466 -2.228 0.048 380 HB2 GLU 69 HB2 GLU 69 15.765 0.300 -0.003 381 HB3 GLU 69 HB3 GLU 69 14.325 0.398 -0.996 382 HG2 GLU 69 HG2 GLU 69 12.936 -0.539 0.760 383 HG3 GLU 69 HG3 GLU 69 14.333 -1.008 1.709 384 HE2 GLU 69 HE2 GLU 69 12.221 1.449 1.015 385 H LEU 70 H LEU 70 14.129 -1.241 -3.141 386 HA LEU 70 HA LEU 70 11.517 -2.116 -2.693 387 HB2 LEU 70 HB2 LEU 70 12.699 -0.705 -4.598 388 HB3 LEU 70 HB3 LEU 70 12.762 -2.262 -5.399 389 HG LEU 70 HG LEU 70 10.744 -0.590 -5.743 390 HD11 LEU 70 HD11 LEU 70 10.092 -3.516 -5.399 391 HD12 LEU 70 HD12 LEU 70 9.471 -2.362 -6.604 392 HD13 LEU 70 HD13 LEU 70 11.157 -2.926 -6.698 393 HD21 LEU 70 HD21 LEU 70 10.280 -0.586 -3.245 394 HD22 LEU 70 HD22 LEU 70 8.888 -0.874 -4.316 395 HD23 LEU 70 HD23 LEU 70 9.648 -2.236 -3.460 396 H VAL 71 H VAL 71 14.341 -3.779 -4.258 397 HA VAL 71 HA VAL 71 13.043 -6.174 -4.741 398 HB VAL 71 HB VAL 71 15.341 -7.115 -4.774 399 HG11 VAL 71 HG11 VAL 71 14.594 -4.608 -6.250 400 HG12 VAL 71 HG12 VAL 71 16.205 -5.323 -6.498 401 HG13 VAL 71 HG13 VAL 71 14.744 -6.279 -6.844 402 HG21 VAL 71 HG21 VAL 71 16.300 -5.812 -2.924 403 HG22 VAL 71 HG22 VAL 71 17.263 -5.635 -4.410 404 HG23 VAL 71 HG23 VAL 71 16.170 -4.327 -3.897 405 H LYS 72 H LYS 72 14.698 -4.926 -1.800 406 HA LYS 72 HA LYS 72 14.685 -7.302 -0.362 407 HB2 LYS 72 HB2 LYS 72 14.676 -4.390 0.442 408 HB3 LYS 72 HB3 LYS 72 14.705 -5.674 1.633 409 HG2 LYS 72 HG2 LYS 72 16.822 -6.478 0.914 410 HG3 LYS 72 HG3 LYS 72 16.686 -5.723 -0.662 411 HD2 LYS 72 HD2 LYS 72 16.985 -3.491 0.307 412 HD3 LYS 72 HD3 LYS 72 16.898 -4.133 1.936 413 HE2 LYS 72 HE2 LYS 72 18.973 -5.498 1.474 414 HE3 LYS 72 HE3 LYS 72 19.074 -4.767 -0.115 415 HZ1 LYS 72 HZ1 LYS 72 19.308 -2.636 0.906 416 HZ2 LYS 72 HZ2 LYS 72 19.095 -3.253 2.403 417 HZ3 LYS 72 HZ3 LYS 72 20.427 -3.641 1.542 418 H LYS 73 H LYS 73 12.177 -4.757 -0.800 419 HA LYS 73 HA LYS 73 10.397 -5.904 1.075 420 HB2 LYS 73 HB2 LYS 73 10.345 -3.720 -0.943 421 HB3 LYS 73 HB3 LYS 73 8.794 -4.409 -0.507 422 HG2 LYS 73 HG2 LYS 73 9.414 -2.491 0.969 423 HG3 LYS 73 HG3 LYS 73 9.201 -3.975 1.876 424 HD2 LYS 73 HD2 LYS 73 11.756 -4.320 1.650 425 HD3 LYS 73 HD3 LYS 73 11.832 -2.672 1.058 426 HE2 LYS 73 HE2 LYS 73 11.068 -1.758 3.132 427 HE3 LYS 73 HE3 LYS 73 10.424 -3.293 3.678 428 HZ1 LYS 73 HZ1 LYS 73 13.286 -2.894 3.190 429 HZ2 LYS 73 HZ2 LYS 73 12.598 -2.602 4.641 430 HZ3 LYS 73 HZ3 LYS 73 12.572 -4.110 4.014 431 H VAL 74 H VAL 74 11.206 -6.510 -2.314 432 HA VAL 74 HA VAL 74 8.822 -7.867 -2.973 433 HB VAL 74 HB VAL 74 11.621 -7.894 -4.105 434 HG11 VAL 74 HG11 VAL 74 11.064 -9.395 -5.704 435 HG12 VAL 74 HG12 VAL 74 9.870 -9.935 -4.499 436 HG13 VAL 74 HG13 VAL 74 9.380 -8.827 -5.803 437 HG21 VAL 74 HG21 VAL 74 10.833 -6.369 -5.724 438 HG22 VAL 74 HG22 VAL 74 9.129 -6.678 -5.313 439 HG23 VAL 74 HG23 VAL 74 10.169 -5.782 -4.180 440 H VAL 75 H VAL 75 12.141 -9.067 -2.091 441 HA VAL 75 HA VAL 75 11.396 -11.749 -1.980 442 HB VAL 75 HB VAL 75 13.701 -10.506 -2.006 443 HG11 VAL 75 HG11 VAL 75 13.534 -9.361 0.110 444 HG12 VAL 75 HG12 VAL 75 13.213 -10.889 0.965 445 HG13 VAL 75 HG13 VAL 75 14.810 -10.597 0.234 446 HG21 VAL 75 HG21 VAL 75 13.112 -13.032 -2.041 447 HG22 VAL 75 HG22 VAL 75 14.763 -12.546 -1.587 448 HG23 VAL 75 HG23 VAL 75 13.594 -13.010 -0.328 449 H ALA 76 H ALA 76 11.145 -9.070 0.364 450 HA ALA 76 HA ALA 76 10.704 -10.612 2.647 451 HB1 ALA 76 HB1 ALA 76 11.214 -8.297 2.881 452 HB2 ALA 76 HB2 ALA 76 9.892 -7.815 1.791 453 HB3 ALA 76 HB3 ALA 76 9.522 -8.464 3.407 454 H VAL 77 H VAL 77 8.427 -9.230 0.189 455 HA VAL 77 HA VAL 77 6.106 -10.169 1.433 456 HB VAL 77 HB VAL 77 6.806 -8.633 -0.772 457 HG11 VAL 77 HG11 VAL 77 6.874 -10.545 -2.249 458 HG12 VAL 77 HG12 VAL 77 5.281 -11.098 -1.677 459 HG13 VAL 77 HG13 VAL 77 5.417 -9.590 -2.612 460 HG21 VAL 77 HG21 VAL 77 4.596 -7.896 -0.695 461 HG22 VAL 77 HG22 VAL 77 3.965 -9.505 -0.272 462 HG23 VAL 77 HG23 VAL 77 4.849 -8.549 0.941 463 H CYS 78 H CYS 78 8.317 -11.607 -1.030 464 HA CYS 78 HA CYS 78 6.836 -13.796 -1.700 465 HB2 CYS 78 HB2 CYS 78 8.813 -13.398 -2.922 466 HB3 CYS 78 HB3 CYS 78 9.817 -13.364 -1.486 467 HG CYS 78 HG CYS 78 10.097 -15.549 -3.124 468 H GLU 79 H GLU 79 9.175 -13.350 1.045 469 HA GLU 79 HA GLU 79 8.669 -15.929 2.062 470 HB2 GLU 79 HB2 GLU 79 10.799 -14.942 2.548 471 HB3 GLU 79 HB3 GLU 79 10.074 -13.465 3.150 472 HG2 GLU 79 HG2 GLU 79 9.351 -14.485 5.172 473 HG3 GLU 79 HG3 GLU 79 9.444 -16.103 4.506 474 HE2 GLU 79 HE2 GLU 79 12.612 -16.675 5.057 475 H GLU 80 H GLU 80 7.202 -12.733 2.424 476 HA GLU 80 HA GLU 80 5.954 -13.242 4.879 477 HB2 GLU 80 HB2 GLU 80 6.363 -10.975 3.748 478 HB3 GLU 80 HB3 GLU 80 4.999 -11.331 2.708 479 HG2 GLU 80 HG2 GLU 80 3.544 -11.614 4.741 480 HG3 GLU 80 HG3 GLU 80 4.910 -11.205 5.760 481 HE2 GLU 80 HE2 GLU 80 2.939 -8.311 3.872 482 H LEU 81 H LEU 81 5.372 -14.325 1.621 483 HA LEU 81 HA LEU 81 2.562 -14.802 2.050 484 HB2 LEU 81 HB2 LEU 81 4.441 -15.496 -0.209 485 HB3 LEU 81 HB3 LEU 81 2.729 -15.868 -0.199 486 HG LEU 81 HG LEU 81 4.117 -13.264 -0.586 487 HD11 LEU 81 HD11 LEU 81 3.070 -13.338 -2.543 488 HD12 LEU 81 HD12 LEU 81 2.515 -14.973 -2.113 489 HD13 LEU 81 HD13 LEU 81 1.487 -13.564 -1.761 490 HD21 LEU 81 HD21 LEU 81 2.227 -11.933 0.115 491 HD22 LEU 81 HD22 LEU 81 1.345 -13.391 0.631 492 HD23 LEU 81 HD23 LEU 81 2.823 -12.894 1.490 493 H GLY 82 H GLY 82 5.580 -16.325 2.781 494 HA2 GLY 82 HA2 GLY 82 6.134 -18.492 3.250 495 HA3 GLY 82 HA3 GLY 82 4.793 -18.289 4.359 496 H ALA 83 H ALA 83 4.639 -18.421 0.753 497 HA ALA 83 HA ALA 83 3.021 -20.858 1.054 498 HB1 ALA 83 HB1 ALA 83 1.524 -20.004 -0.439 499 HB2 ALA 83 HB2 ALA 83 2.203 -18.444 0.084 500 HB3 ALA 83 HB3 ALA 83 2.788 -19.213 -1.411 501 H GLU 84 H GLU 84 3.654 -22.680 -0.047 502 HA GLU 84 HA GLU 84 5.666 -22.317 -2.101 503 HB2 GLU 84 HB2 GLU 84 6.012 -24.524 -0.056 504 HB3 GLU 84 HB3 GLU 84 7.199 -23.867 -1.166 505 HG2 GLU 84 HG2 GLU 84 7.896 -22.738 0.719 506 HG3 GLU 84 HG3 GLU 84 6.662 -21.599 0.217 507 HE2 GLU 84 HE2 GLU 84 4.705 -21.773 2.577 508 H GLU 85 H GLU 85 2.717 -22.957 -1.978 509 HA GLU 85 HA GLU 85 2.429 -24.602 -3.996 510 HB2 GLU 85 HB2 GLU 85 3.190 -26.209 -1.627 511 HB3 GLU 85 HB3 GLU 85 1.733 -26.781 -2.416 512 HG2 GLU 85 HG2 GLU 85 2.847 -27.407 -4.341 513 HG3 GLU 85 HG3 GLU 85 3.963 -26.057 -4.266 514 HE2 GLU 85 HE2 GLU 85 5.342 -27.749 -4.786 515 H CYS 86 H CYS 86 0.149 -25.566 -4.178 516 HA CYS 86 HA CYS 86 -1.604 -23.997 -2.443 517 HB2 CYS 86 HB2 CYS 86 -2.004 -23.302 -4.642 518 HB3 CYS 86 HB3 CYS 86 -1.838 -24.917 -5.301 519 H PHE 87 H PHE 87 -1.595 -25.568 -0.695 520 HA PHE 87 HA PHE 87 -1.936 -28.279 -0.992 521 HB2 PHE 87 HB2 PHE 87 -2.762 -26.190 1.094 522 HB3 PHE 87 HB3 PHE 87 -3.053 -27.894 1.387 523 HD1 PHE 87 HD1 PHE 87 -0.690 -29.245 0.498 524 HD2 PHE 87 HD2 PHE 87 -1.014 -25.467 2.403 525 HE1 PHE 87 HE1 PHE 87 1.646 -29.491 1.383 526 HE2 PHE 87 HE2 PHE 87 1.322 -25.713 3.288 527 HZ PHE 87 HZ PHE 87 2.624 -27.722 2.767 528 H SER 88 H SER 88 -4.282 -25.639 -1.287 529 HA SER 88 HA SER 88 -6.581 -27.051 -0.767 530 HB2 SER 88 HB2 SER 88 -6.076 -24.749 -2.702 531 HB3 SER 88 HB3 SER 88 -7.676 -25.311 -2.262 532 HG SER 88 HG SER 88 -7.506 -24.428 -0.282 533 H CYS 89 H CYS 89 -4.266 -27.450 -3.287 534 HA CYS 89 HA CYS 89 -5.817 -28.106 -5.460 535 HB2 CYS 89 HB2 CYS 89 -3.053 -28.690 -4.558 536 HB3 CYS 89 HB3 CYS 89 -3.708 -29.816 -5.730 537 H ASP 90 H ASP 90 -4.835 -29.989 -2.549 538 HA ASP 90 HA ASP 90 -6.131 -32.330 -3.565 539 HB2 ASP 90 HB2 ASP 90 -4.043 -32.439 -2.178 540 HB3 ASP 90 HB3 ASP 90 -4.909 -31.726 -0.831 541 HD2 ASP 90 HD2 ASP 90 -5.324 -34.944 -2.691 542 H PHE 91 H PHE 91 -6.996 -29.430 -1.965 543 HA PHE 91 HA PHE 91 -9.017 -30.586 -0.266 544 HB2 PHE 91 HB2 PHE 91 -7.592 -28.479 0.183 545 HB3 PHE 91 HB3 PHE 91 -8.422 -27.697 -1.148 546 HD1 PHE 91 HD1 PHE 91 -10.927 -27.350 -0.969 547 HD2 PHE 91 HD2 PHE 91 -8.541 -28.523 2.338 548 HE1 PHE 91 HE1 PHE 91 -12.732 -26.591 0.602 549 HE2 PHE 91 HE2 PHE 91 -10.346 -27.765 3.909 550 HZ PHE 91 HZ PHE 91 -12.419 -26.808 3.022 551 H ASP 92 H ASP 92 -11.109 -30.972 -0.833 552 HA ASP 92 HA ASP 92 -11.919 -29.930 -3.423 553 HB2 ASP 92 HB2 ASP 92 -12.925 -32.256 -1.725 554 HB3 ASP 92 HB3 ASP 92 -13.764 -31.711 -3.163 555 HD2 ASP 92 HD2 ASP 92 -13.115 -33.682 -4.598 Start of MODEL 6 1 H SER 16 H SER 16 -3.568 -2.384 -6.302 2 HA SER 16 HA SER 16 -2.006 -4.724 -6.940 3 HB2 SER 16 HB2 SER 16 -2.808 -4.413 -9.117 4 HB3 SER 16 HB3 SER 16 -2.965 -2.678 -8.932 5 HG SER 16 HG SER 16 -1.064 -3.754 -10.243 6 H GLU 17 H GLU 17 -0.079 -4.420 -5.891 7 HA GLU 17 HA GLU 17 0.767 -1.654 -5.537 8 HB2 GLU 17 HB2 GLU 17 1.369 -4.154 -3.903 9 HB3 GLU 17 HB3 GLU 17 2.165 -2.616 -3.635 10 HG2 GLU 17 HG2 GLU 17 -0.174 -1.577 -3.372 11 HG3 GLU 17 HG3 GLU 17 -0.817 -3.207 -3.380 12 HE2 GLU 17 HE2 GLU 17 -1.258 -2.089 -1.011 13 H ALA 18 H ALA 18 3.199 -1.291 -5.550 14 HA ALA 18 HA ALA 18 4.279 -2.346 -7.923 15 HB1 ALA 18 HB1 ALA 18 4.680 -0.107 -6.513 16 HB2 ALA 18 HB2 ALA 18 6.014 -1.072 -5.835 17 HB3 ALA 18 HB3 ALA 18 5.933 -0.773 -7.588 18 H VAL 19 H VAL 19 4.439 -3.267 -4.494 19 HA VAL 19 HA VAL 19 6.692 -4.991 -4.867 20 HB VAL 19 HB VAL 19 6.167 -3.831 -2.757 21 HG11 VAL 19 HG11 VAL 19 3.724 -3.967 -2.822 22 HG12 VAL 19 HG12 VAL 19 3.803 -5.734 -2.624 23 HG13 VAL 19 HG13 VAL 19 4.354 -4.666 -1.311 24 HG21 VAL 19 HG21 VAL 19 6.538 -5.781 -1.258 25 HG22 VAL 19 HG22 VAL 19 6.178 -6.865 -2.623 26 HG23 VAL 19 HG23 VAL 19 7.595 -5.790 -2.690 27 H TYR 20 H TYR 20 3.106 -5.353 -4.560 28 HA TYR 20 HA TYR 20 3.121 -8.156 -4.719 29 HB2 TYR 20 HB2 TYR 20 1.241 -5.799 -5.125 30 HB3 TYR 20 HB3 TYR 20 0.682 -7.358 -5.697 31 HD1 TYR 20 HD2 TYR 20 2.866 -7.557 -2.835 32 HD2 TYR 20 HD1 TYR 20 -1.200 -6.962 -4.023 33 HE1 TYR 20 HE2 TYR 20 2.087 -8.141 -0.486 34 HE2 TYR 20 HE1 TYR 20 -1.966 -7.548 -1.671 35 HH TYR 20 HH TYR 20 -1.379 -8.161 0.310 36 H ILE 21 H ILE 21 3.188 -5.561 -7.173 37 HA ILE 21 HA ILE 21 2.556 -7.355 -9.313 38 HB ILE 21 HB ILE 21 2.166 -4.783 -9.051 39 HG12 ILE 21 HG12 ILE 21 2.026 -4.583 -11.486 40 HG13 ILE 21 HG13 ILE 21 3.042 -5.996 -11.689 41 HG21 ILE 21 HG21 ILE 21 4.491 -4.152 -8.718 42 HG22 ILE 21 HG22 ILE 21 4.929 -4.851 -10.296 43 HG23 ILE 21 HG23 ILE 21 3.856 -3.433 -10.218 44 HD11 ILE 21 HD11 ILE 21 0.707 -6.437 -9.904 45 HD12 ILE 21 HD12 ILE 21 0.290 -6.060 -11.593 46 HD13 ILE 21 HD13 ILE 21 1.338 -7.451 -11.224 47 H ALA 22 H ALA 22 5.507 -5.822 -7.916 48 HA ALA 22 HA ALA 22 7.253 -6.846 -9.874 49 HB1 ALA 22 HB1 ALA 22 7.941 -4.966 -8.576 50 HB2 ALA 22 HB2 ALA 22 7.597 -5.803 -7.044 51 HB3 ALA 22 HB3 ALA 22 8.972 -6.318 -8.049 52 H ILE 23 H ILE 23 5.885 -8.111 -6.823 53 HA ILE 23 HA ILE 23 7.649 -10.389 -6.863 54 HB ILE 23 HB ILE 23 6.545 -11.035 -4.848 55 HG12 ILE 23 HG12 ILE 23 4.686 -9.195 -4.114 56 HG13 ILE 23 HG13 ILE 23 4.387 -9.260 -5.840 57 HG21 ILE 23 HG21 ILE 23 6.560 -8.442 -3.844 58 HG22 ILE 23 HG22 ILE 23 7.941 -9.561 -3.940 59 HG23 ILE 23 HG23 ILE 23 7.662 -8.378 -5.241 60 HD11 ILE 23 HD11 ILE 23 4.578 -11.919 -5.386 61 HD12 ILE 23 HD12 ILE 23 4.049 -11.402 -3.767 62 HD13 ILE 23 HD13 ILE 23 3.048 -11.031 -5.191 63 H GLU 24 H GLU 24 4.489 -9.435 -8.092 64 HA GLU 24 HA GLU 24 3.891 -12.218 -8.650 65 HB2 GLU 24 HB2 GLU 24 2.136 -10.768 -7.585 66 HB3 GLU 24 HB3 GLU 24 2.143 -9.744 -9.007 67 HG2 GLU 24 HG2 GLU 24 1.288 -11.499 -10.415 68 HG3 GLU 24 HG3 GLU 24 1.649 -12.738 -9.230 69 HE2 GLU 24 HE2 GLU 24 -1.359 -12.297 -7.583 70 H ALA 25 H ALA 25 5.760 -9.928 -10.008 71 HA ALA 25 HA ALA 25 4.712 -9.901 -12.674 72 HB1 ALA 25 HB1 ALA 25 7.073 -8.886 -13.069 73 HB2 ALA 25 HB2 ALA 25 5.924 -7.977 -12.058 74 HB3 ALA 25 HB3 ALA 25 7.224 -8.925 -11.296 75 H GLY 26 H GLY 26 5.929 -12.359 -10.837 76 HA2 GLY 26 HA2 GLY 26 6.149 -14.365 -12.419 77 HA3 GLY 26 HA3 GLY 26 7.562 -13.509 -13.003 78 H THR 27 H THR 27 7.550 -12.471 -9.913 79 HA THR 27 HA THR 27 9.692 -14.059 -9.104 80 HB THR 27 HB THR 27 8.077 -11.820 -8.150 81 HG1 THR 27 HG1 THR 27 10.223 -11.394 -7.303 82 HG21 THR 27 HG21 THR 27 9.043 -13.864 -6.081 83 HG22 THR 27 HG22 THR 27 8.578 -12.186 -5.712 84 HG23 THR 27 HG23 THR 27 7.359 -13.336 -6.314 85 H LEU 28 H LEU 28 6.192 -14.248 -8.213 86 HA LEU 28 HA LEU 28 6.704 -17.036 -7.501 87 HB2 LEU 28 HB2 LEU 28 5.120 -16.697 -5.556 88 HB3 LEU 28 HB3 LEU 28 6.761 -16.108 -5.383 89 HG LEU 28 HG LEU 28 5.395 -13.895 -6.367 90 HD11 LEU 28 HD11 LEU 28 3.642 -14.361 -4.135 91 HD12 LEU 28 HD12 LEU 28 3.248 -13.935 -5.818 92 HD13 LEU 28 HD13 LEU 28 3.429 -15.643 -5.350 93 HD21 LEU 28 HD21 LEU 28 5.759 -14.385 -3.418 94 HD22 LEU 28 HD22 LEU 28 7.157 -14.206 -4.506 95 HD23 LEU 28 HD23 LEU 28 5.974 -12.885 -4.352 96 H ALA 29 H ALA 29 4.426 -18.161 -7.166 97 HA ALA 29 HA ALA 29 2.570 -17.034 -9.141 98 HB1 ALA 29 HB1 ALA 29 2.226 -19.625 -9.637 99 HB2 ALA 29 HB2 ALA 29 3.516 -18.700 -10.443 100 HB3 ALA 29 HB3 ALA 29 3.900 -19.727 -9.041 101 H GLU 30 H GLU 30 0.320 -17.720 -8.830 102 HA GLU 30 HA GLU 30 -0.192 -19.028 -6.312 103 HB2 GLU 30 HB2 GLU 30 -1.836 -17.222 -5.659 104 HB3 GLU 30 HB3 GLU 30 -0.157 -16.725 -5.591 105 HG2 GLU 30 HG2 GLU 30 -0.950 -14.928 -6.799 106 HG3 GLU 30 HG3 GLU 30 -0.674 -16.006 -8.153 107 HE2 GLU 30 HE2 GLU 30 -4.121 -17.051 -7.979 108 H CYS 31 H CYS 31 -2.334 -19.975 -6.195 109 HA CYS 31 HA CYS 31 -3.373 -20.545 -8.800 110 HB2 CYS 31 HB2 CYS 31 -3.411 -21.795 -6.203 111 HB3 CYS 31 HB3 CYS 31 -5.055 -21.648 -6.792 112 H GLU 32 H GLU 32 -5.376 -19.824 -9.638 113 HA GLU 32 HA GLU 32 -6.553 -17.655 -8.107 114 HB2 GLU 32 HB2 GLU 32 -6.455 -18.321 -11.061 115 HB3 GLU 32 HB3 GLU 32 -7.675 -17.222 -10.449 116 HG2 GLU 32 HG2 GLU 32 -6.028 -15.656 -10.838 117 HG3 GLU 32 HG3 GLU 32 -5.520 -16.125 -9.228 118 HE2 GLU 32 HE2 GLU 32 -4.921 -17.290 -12.558 119 H VAL 33 H VAL 33 -6.989 -20.701 -7.821 120 HA VAL 33 HA VAL 33 -9.856 -20.748 -8.439 121 HB VAL 33 HB VAL 33 -8.834 -22.559 -9.481 122 HG11 VAL 33 HG11 VAL 33 -7.134 -22.787 -6.993 123 HG12 VAL 33 HG12 VAL 33 -7.273 -24.124 -8.161 124 HG13 VAL 33 HG13 VAL 33 -6.623 -22.551 -8.681 125 HG21 VAL 33 HG21 VAL 33 -10.529 -23.021 -7.250 126 HG22 VAL 33 HG22 VAL 33 -10.325 -24.024 -8.707 127 HG23 VAL 33 HG23 VAL 33 -9.321 -24.328 -7.269 128 H HIS 34 H HIS 34 -7.367 -20.980 -5.889 129 HA HIS 34 HA HIS 34 -9.529 -20.705 -3.953 130 HB2 HIS 34 HB2 HIS 34 -7.781 -22.232 -2.541 131 HB3 HIS 34 HB3 HIS 34 -9.221 -22.834 -3.337 132 HD1 HIS 34 HD1 HIS 34 -8.920 -24.392 -5.358 133 HD2 HIS 34 HD2 HIS 34 -5.318 -22.782 -3.933 134 HE1 HIS 34 HE1 HIS 34 -7.051 -25.666 -6.538 135 H GLU 35 H GLU 35 -9.156 -18.585 -3.401 136 HA GLU 35 HA GLU 35 -6.658 -17.418 -3.409 137 HB2 GLU 35 HB2 GLU 35 -9.139 -16.640 -1.813 138 HB3 GLU 35 HB3 GLU 35 -7.761 -15.594 -2.094 139 HG2 GLU 35 HG2 GLU 35 -9.333 -16.859 -4.380 140 HG3 GLU 35 HG3 GLU 35 -9.774 -15.311 -3.688 141 HE2 GLU 35 HE2 GLU 35 -6.814 -15.462 -6.271 142 H GLY 36 H GLY 36 -5.071 -17.057 -1.817 143 HA2 GLY 36 HA2 GLY 36 -4.472 -17.003 0.508 144 HA3 GLY 36 HA3 GLY 36 -5.539 -18.364 0.792 145 H THR 37 H THR 37 -4.742 -19.768 -1.749 146 HA THR 37 HA THR 37 -2.322 -20.972 -0.682 147 HB THR 37 HB THR 37 -3.223 -22.233 -3.089 148 HG1 THR 37 HG1 THR 37 -5.540 -22.368 -1.802 149 HG21 THR 37 HG21 THR 37 -2.526 -23.189 -0.709 150 HG22 THR 37 HG22 THR 37 -4.256 -22.997 -0.336 151 HG23 THR 37 HG23 THR 37 -3.745 -24.060 -1.670 152 H TYR 38 H TYR 38 -0.363 -20.271 -1.224 153 HA TYR 38 HA TYR 38 -0.006 -19.364 -3.994 154 HB2 TYR 38 HB2 TYR 38 0.590 -18.119 -1.286 155 HB3 TYR 38 HB3 TYR 38 1.784 -17.860 -2.543 156 HD1 TYR 38 HD1 TYR 38 -1.968 -17.746 -2.274 157 HD2 TYR 38 HD2 TYR 38 1.605 -15.846 -3.662 158 HE1 TYR 38 HE1 TYR 38 -3.343 -15.813 -3.191 159 HE2 TYR 38 HE2 TYR 38 0.219 -13.920 -4.574 160 HH TYR 38 HH TYR 38 -3.278 -13.803 -4.033 161 H PHE 39 H PHE 39 2.541 -19.113 -4.372 162 HA PHE 39 HA PHE 39 4.233 -20.770 -2.870 163 HB2 PHE 39 HB2 PHE 39 4.334 -22.697 -4.371 164 HB3 PHE 39 HB3 PHE 39 2.631 -22.431 -4.054 165 HD1 PHE 39 HD2 PHE 39 1.168 -21.523 -5.792 166 HD2 PHE 39 HD1 PHE 39 5.272 -22.280 -6.563 167 HE1 PHE 39 HE2 PHE 39 0.734 -21.366 -8.259 168 HE2 PHE 39 HE1 PHE 39 4.838 -22.123 -9.030 169 HZ PHE 39 HZ PHE 39 2.574 -21.668 -9.849 170 H SER 40 H SER 40 6.068 -19.586 -3.115 171 HA SER 40 HA SER 40 6.467 -18.213 -5.603 172 HB2 SER 40 HB2 SER 40 8.333 -17.112 -4.445 173 HB3 SER 40 HB3 SER 40 6.893 -17.061 -3.448 174 HG SER 40 HG SER 40 9.311 -18.504 -3.072 175 H ASP 41 H ASP 41 8.482 -18.423 -6.872 176 HA ASP 41 HA ASP 41 9.093 -20.853 -7.673 177 HB2 ASP 41 HB2 ASP 41 10.131 -18.311 -8.088 178 HB3 ASP 41 HB3 ASP 41 11.520 -19.147 -7.423 179 HD2 ASP 41 HD2 ASP 41 9.764 -20.360 -10.772 180 H SER 42 H SER 42 9.365 -22.523 -6.105 181 HA SER 42 HA SER 42 10.976 -22.133 -3.833 182 HB2 SER 42 HB2 SER 42 9.064 -23.725 -3.914 183 HB3 SER 42 HB3 SER 42 9.915 -24.701 -5.094 184 HG SER 42 HG SER 42 10.922 -24.124 -2.439 185 H GLY 43 H GLY 43 13.123 -22.806 -3.422 186 HA2 GLY 43 HA2 GLY 43 14.998 -24.175 -3.996 187 HA3 GLY 43 HA3 GLY 43 14.560 -24.042 -5.687 188 H ASP 44 H ASP 44 13.843 -21.095 -5.366 189 HA ASP 44 HA ASP 44 16.448 -20.002 -4.768 190 HB2 ASP 44 HB2 ASP 44 15.792 -20.586 -7.384 191 HB3 ASP 44 HB3 ASP 44 15.179 -18.949 -7.258 192 HD2 ASP 44 HD2 ASP 44 17.375 -20.028 -8.720 193 H ILE 45 H ILE 45 15.246 -19.030 -2.946 194 HA ILE 45 HA ILE 45 12.893 -17.517 -3.416 195 HB ILE 45 HB ILE 45 14.670 -18.171 -1.149 196 HG12 ILE 45 HG12 ILE 45 12.390 -19.216 -1.919 197 HG13 ILE 45 HG13 ILE 45 12.762 -19.034 -0.216 198 HG21 ILE 45 HG21 ILE 45 13.301 -15.533 -1.404 199 HG22 ILE 45 HG22 ILE 45 13.223 -16.372 0.164 200 HG23 ILE 45 HG23 ILE 45 14.802 -15.975 -0.556 201 HD11 ILE 45 HD11 ILE 45 11.136 -17.456 0.107 202 HD12 ILE 45 HD12 ILE 45 11.485 -16.643 -1.437 203 HD13 ILE 45 HD13 ILE 45 10.465 -18.101 -1.410 204 H SER 46 H SER 46 16.399 -16.853 -3.360 205 HA SER 46 HA SER 46 16.129 -14.076 -3.233 206 HB2 SER 46 HB2 SER 46 18.532 -14.271 -4.352 207 HB3 SER 46 HB3 SER 46 18.278 -14.758 -2.688 208 HG SER 46 HG SER 46 19.466 -16.343 -4.003 209 H GLU 47 H GLU 47 15.781 -16.462 -5.798 210 HA GLU 47 HA GLU 47 16.384 -14.875 -7.973 211 HB2 GLU 47 HB2 GLU 47 16.095 -17.321 -8.105 212 HB3 GLU 47 HB3 GLU 47 14.394 -17.171 -7.711 213 HG2 GLU 47 HG2 GLU 47 14.533 -17.410 -10.111 214 HG3 GLU 47 HG3 GLU 47 14.101 -15.742 -9.795 215 HE2 GLU 47 HE2 GLU 47 16.410 -17.272 -11.833 216 H ALA 48 H ALA 48 13.639 -14.883 -5.778 217 HA ALA 48 HA ALA 48 11.740 -13.725 -7.497 218 HB1 ALA 48 HB1 ALA 48 10.730 -13.026 -5.229 219 HB2 ALA 48 HB2 ALA 48 10.966 -14.767 -5.511 220 HB3 ALA 48 HB3 ALA 48 12.114 -13.867 -4.491 221 H GLU 49 H GLU 49 14.067 -12.321 -5.092 222 HA GLU 49 HA GLU 49 13.296 -9.692 -5.653 223 HB2 GLU 49 HB2 GLU 49 15.409 -9.102 -4.411 224 HB3 GLU 49 HB3 GLU 49 14.365 -10.211 -3.544 225 HG2 GLU 49 HG2 GLU 49 15.758 -12.102 -4.048 226 HG3 GLU 49 HG3 GLU 49 16.611 -11.244 -5.316 227 HE2 GLU 49 HE2 GLU 49 15.962 -11.121 -1.977 228 H GLU 50 H GLU 50 15.762 -11.916 -6.991 229 HA GLU 50 HA GLU 50 17.206 -9.990 -8.372 230 HB2 GLU 50 HB2 GLU 50 17.948 -12.347 -7.902 231 HB3 GLU 50 HB3 GLU 50 16.797 -12.927 -9.090 232 HG2 GLU 50 HG2 GLU 50 17.931 -11.644 -10.876 233 HG3 GLU 50 HG3 GLU 50 19.028 -10.934 -9.708 234 HE2 GLU 50 HE2 GLU 50 19.576 -12.436 -11.874 235 H LEU 51 H LEU 51 14.684 -12.323 -9.588 236 HA LEU 51 HA LEU 51 14.525 -11.167 -12.125 237 HB2 LEU 51 HB2 LEU 51 13.461 -13.074 -12.388 238 HB3 LEU 51 HB3 LEU 51 13.326 -13.298 -10.656 239 HG LEU 51 HG LEU 51 11.146 -13.430 -11.701 240 HD11 LEU 51 HD11 LEU 51 10.059 -12.338 -10.054 241 HD12 LEU 51 HD12 LEU 51 11.709 -12.050 -9.452 242 HD13 LEU 51 HD13 LEU 51 10.870 -10.789 -10.388 243 HD21 LEU 51 HD21 LEU 51 10.452 -12.138 -13.372 244 HD22 LEU 51 HD22 LEU 51 10.800 -10.648 -12.461 245 HD23 LEU 51 HD23 LEU 51 12.088 -11.436 -13.405 246 H ALA 52 H ALA 52 13.186 -10.261 -8.990 247 HA ALA 52 HA ALA 52 11.085 -8.657 -10.002 248 HB1 ALA 52 HB1 ALA 52 12.496 -9.073 -7.380 249 HB2 ALA 52 HB2 ALA 52 11.464 -7.636 -7.576 250 HB3 ALA 52 HB3 ALA 52 10.774 -9.263 -7.788 251 H ARG 53 H ARG 53 14.557 -8.162 -9.267 252 HA ARG 53 HA ARG 53 14.435 -5.381 -9.446 253 HB2 ARG 53 HB2 ARG 53 16.473 -5.844 -8.514 254 HB3 ARG 53 HB3 ARG 53 16.485 -7.470 -9.165 255 HG2 ARG 53 HG2 ARG 53 17.400 -6.734 -11.274 256 HG3 ARG 53 HG3 ARG 53 17.062 -5.051 -10.922 257 HD2 ARG 53 HD2 ARG 53 19.337 -5.119 -10.404 258 HD3 ARG 53 HD3 ARG 53 18.662 -5.475 -8.826 259 HE ARG 53 HE ARG 53 19.119 -7.864 -10.468 260 HH11 ARG 53 HH22 ARG 53 20.539 -5.630 -8.150 261 HH12 ARG 53 HH21 ARG 53 21.741 -6.754 -7.610 262 HH21 ARG 53 HH12 ARG 53 20.704 -9.348 -9.756 263 HH22 ARG 53 HH11 ARG 53 21.835 -8.883 -8.530 264 H GLU 54 H GLU 54 15.058 -8.038 -11.794 265 HA GLU 54 HA GLU 54 15.812 -6.293 -13.872 266 HB2 GLU 54 HB2 GLU 54 16.482 -8.701 -13.734 267 HB3 GLU 54 HB3 GLU 54 14.816 -9.174 -14.004 268 HG2 GLU 54 HG2 GLU 54 15.859 -9.290 -16.157 269 HG3 GLU 54 HG3 GLU 54 14.898 -7.825 -16.190 270 HE2 GLU 54 HE2 GLU 54 18.085 -9.032 -16.069 271 H LYS 55 H LYS 55 12.813 -8.256 -13.236 272 HA LYS 55 HA LYS 55 11.349 -7.340 -15.377 273 HB2 LYS 55 HB2 LYS 55 10.754 -8.575 -12.737 274 HB3 LYS 55 HB3 LYS 55 9.417 -7.780 -13.542 275 HG2 LYS 55 HG2 LYS 55 11.223 -9.803 -14.941 276 HG3 LYS 55 HG3 LYS 55 9.748 -10.260 -14.114 277 HD2 LYS 55 HD2 LYS 55 8.448 -8.697 -15.586 278 HD3 LYS 55 HD3 LYS 55 9.926 -8.267 -16.424 279 HE2 LYS 55 HE2 LYS 55 8.890 -11.134 -16.237 280 HE3 LYS 55 HE3 LYS 55 8.505 -10.062 -17.568 281 HZ1 LYS 55 HZ1 LYS 55 11.176 -10.978 -16.771 282 HZ2 LYS 55 HZ2 LYS 55 10.384 -11.321 -18.158 283 HZ3 LYS 55 HZ3 LYS 55 10.929 -9.806 -17.881 284 H PHE 56 H PHE 56 11.541 -5.994 -12.014 285 HA PHE 56 HA PHE 56 9.807 -3.864 -12.520 286 HB2 PHE 56 HB2 PHE 56 10.610 -4.795 -10.282 287 HB3 PHE 56 HB3 PHE 56 12.211 -4.166 -10.619 288 HD1 PHE 56 HD2 PHE 56 12.566 -1.694 -10.707 289 HD2 PHE 56 HD1 PHE 56 8.896 -3.391 -9.419 290 HE1 PHE 56 HE2 PHE 56 11.937 0.484 -9.628 291 HE2 PHE 56 HE1 PHE 56 8.267 -1.213 -8.340 292 HZ PHE 56 HZ PHE 56 9.796 0.698 -8.458 293 H GLU 57 H GLU 57 13.362 -4.259 -12.900 294 HA GLU 57 HA GLU 57 13.750 -1.510 -13.436 295 HB2 GLU 57 HB2 GLU 57 15.567 -2.844 -12.503 296 HB3 GLU 57 HB3 GLU 57 15.511 -3.963 -13.851 297 HG2 GLU 57 HG2 GLU 57 17.378 -2.293 -14.049 298 HG3 GLU 57 HG3 GLU 57 16.276 -2.244 -15.410 299 HE2 GLU 57 HE2 GLU 57 16.615 -0.218 -15.856 300 H LYS 58 H LYS 58 12.311 -4.025 -15.193 301 HA LYS 58 HA LYS 58 13.330 -3.322 -17.774 302 HB2 LYS 58 HB2 LYS 58 12.573 -5.613 -17.148 303 HB3 LYS 58 HB3 LYS 58 10.932 -5.015 -17.014 304 HG2 LYS 58 HG2 LYS 58 11.470 -6.075 -19.255 305 HG3 LYS 58 HG3 LYS 58 10.842 -4.443 -19.366 306 HD2 LYS 58 HD2 LYS 58 13.011 -3.513 -19.814 307 HD3 LYS 58 HD3 LYS 58 13.838 -4.960 -19.272 308 HE2 LYS 58 HE2 LYS 58 12.585 -6.176 -21.224 309 HE3 LYS 58 HE3 LYS 58 12.238 -4.570 -21.831 310 HZ1 LYS 58 HZ1 LYS 58 14.875 -5.771 -21.397 311 HZ2 LYS 58 HZ2 LYS 58 14.232 -5.239 -22.801 312 HZ3 LYS 58 HZ3 LYS 58 14.681 -4.170 -21.652 313 H GLY 59 H GLY 59 11.512 -1.618 -15.615 314 HA2 GLY 59 HA2 GLY 59 10.785 0.532 -16.672 315 HA3 GLY 59 HA3 GLY 59 9.788 -0.457 -17.720 316 H GLU 60 H GLU 60 10.494 -0.026 -14.176 317 HA GLU 60 HA GLU 60 7.613 -0.229 -13.775 318 HB2 GLU 60 HB2 GLU 60 8.868 -2.293 -13.014 319 HB3 GLU 60 HB3 GLU 60 9.747 -1.294 -11.874 320 HG2 GLU 60 HG2 GLU 60 7.715 -2.483 -10.903 321 HG3 GLU 60 HG3 GLU 60 7.743 -0.750 -10.643 322 HE2 GLU 60 HE2 GLU 60 6.862 -2.875 -13.125 323 H VAL 61 H VAL 61 6.976 0.762 -11.532 324 HA VAL 61 HA VAL 61 7.342 3.380 -11.459 325 HB VAL 61 HB VAL 61 5.917 1.924 -9.985 326 HG11 VAL 61 HG11 VAL 61 7.894 0.560 -9.146 327 HG12 VAL 61 HG12 VAL 61 8.284 1.943 -8.095 328 HG13 VAL 61 HG13 VAL 61 6.729 1.096 -7.912 329 HG21 VAL 61 HG21 VAL 61 6.475 4.496 -9.756 330 HG22 VAL 61 HG22 VAL 61 5.527 3.650 -8.509 331 HG23 VAL 61 HG23 VAL 61 7.258 3.968 -8.247 332 H SER 62 H SER 62 8.817 4.933 -10.741 333 HA SER 62 HA SER 62 11.335 3.837 -9.769 334 HB2 SER 62 HB2 SER 62 11.612 4.435 -12.137 335 HB3 SER 62 HB3 SER 62 10.941 6.029 -11.852 336 HG SER 62 HG SER 62 12.920 6.672 -11.387 337 H ASN 63 H ASN 63 8.734 5.336 -8.734 338 HA ASN 63 HA ASN 63 10.097 7.627 -7.588 339 HB2 ASN 63 HB2 ASN 63 7.190 6.854 -7.994 340 HB3 ASN 63 HB3 ASN 63 7.585 8.000 -6.728 341 HD21 ASN 63 HD21 ASN 63 8.727 7.349 -10.044 342 HD22 ASN 63 HD22 ASN 63 8.577 8.965 -10.649 343 H PHE 64 H PHE 64 9.678 4.399 -6.968 344 HA PHE 64 HA PHE 64 8.847 4.626 -4.207 345 HB2 PHE 64 HB2 PHE 64 9.416 2.520 -6.301 346 HB3 PHE 64 HB3 PHE 64 9.677 2.021 -4.641 347 HD1 PHE 64 HD1 PHE 64 7.057 4.228 -6.125 348 HD2 PHE 64 HD2 PHE 64 7.931 0.611 -4.084 349 HE1 PHE 64 HE1 PHE 64 4.601 3.775 -5.875 350 HE2 PHE 64 HE2 PHE 64 5.475 0.159 -3.834 351 HZ PHE 64 HZ PHE 64 3.839 1.746 -4.732 352 H ASP 65 H ASP 65 10.293 2.947 -2.738 353 HA ASP 65 HA ASP 65 12.531 4.316 -2.103 354 HB2 ASP 65 HB2 ASP 65 12.378 1.300 -1.769 355 HB3 ASP 65 HB3 ASP 65 13.095 2.469 -0.678 356 HD2 ASP 65 HD2 ASP 65 10.333 3.418 0.869 357 H ASP 66 H ASP 66 14.855 2.969 -2.034 358 HA ASP 66 HA ASP 66 15.824 3.072 -4.587 359 HB2 ASP 66 HB2 ASP 66 17.026 3.029 -2.254 360 HB3 ASP 66 HB3 ASP 66 17.015 1.286 -2.433 361 HD2 ASP 66 HD2 ASP 66 17.891 4.093 -4.195 362 H VAL 67 H VAL 67 16.718 1.235 -5.946 363 HA VAL 67 HA VAL 67 14.836 -0.737 -6.420 364 HB VAL 67 HB VAL 67 16.276 -0.083 -8.150 365 HG11 VAL 67 HG11 VAL 67 18.866 -1.019 -7.437 366 HG12 VAL 67 HG12 VAL 67 18.339 0.654 -7.740 367 HG13 VAL 67 HG13 VAL 67 18.274 -0.015 -6.091 368 HG21 VAL 67 HG21 VAL 67 16.892 -2.117 -9.056 369 HG22 VAL 67 HG22 VAL 67 17.543 -2.732 -7.517 370 HG23 VAL 67 HG23 VAL 67 15.783 -2.641 -7.766 371 H GLU 68 H GLU 68 17.748 -0.688 -4.332 372 HA GLU 68 HA GLU 68 17.757 -3.443 -3.869 373 HB2 GLU 68 HB2 GLU 68 19.781 -2.368 -3.362 374 HB3 GLU 68 HB3 GLU 68 18.994 -1.029 -2.549 375 HG2 GLU 68 HG2 GLU 68 18.661 -2.243 -0.558 376 HG3 GLU 68 HG3 GLU 68 18.694 -3.795 -1.371 377 HE2 GLU 68 HE2 GLU 68 21.651 -4.431 -1.602 378 H GLU 69 H GLU 69 16.046 -0.678 -2.395 379 HA GLU 69 HA GLU 69 15.215 -2.124 -0.125 380 HB2 GLU 69 HB2 GLU 69 15.335 0.308 -0.057 381 HB3 GLU 69 HB3 GLU 69 14.223 0.457 -1.403 382 HG2 GLU 69 HG2 GLU 69 12.876 0.856 0.523 383 HG3 GLU 69 HG3 GLU 69 12.493 -0.790 0.058 384 HE2 GLU 69 HE2 GLU 69 13.107 -0.592 3.607 385 H LEU 70 H LEU 70 14.009 -1.671 -3.437 386 HA LEU 70 HA LEU 70 11.391 -2.647 -2.859 387 HB2 LEU 70 HB2 LEU 70 12.336 -1.111 -4.785 388 HB3 LEU 70 HB3 LEU 70 12.588 -2.644 -5.596 389 HG LEU 70 HG LEU 70 10.149 -1.123 -5.218 390 HD11 LEU 70 HD11 LEU 70 9.364 -2.633 -7.038 391 HD12 LEU 70 HD12 LEU 70 10.903 -1.811 -7.390 392 HD13 LEU 70 HD13 LEU 70 10.900 -3.523 -6.905 393 HD21 LEU 70 HD21 LEU 70 9.496 -2.498 -3.438 394 HD22 LEU 70 HD22 LEU 70 8.710 -3.212 -4.867 395 HD23 LEU 70 HD23 LEU 70 10.179 -3.959 -4.193 396 H VAL 71 H VAL 71 14.328 -4.003 -4.512 397 HA VAL 71 HA VAL 71 13.334 -6.498 -5.038 398 HB VAL 71 HB VAL 71 15.718 -7.214 -4.923 399 HG11 VAL 71 HG11 VAL 71 16.490 -5.324 -6.592 400 HG12 VAL 71 HG12 VAL 71 15.171 -6.436 -7.027 401 HG13 VAL 71 HG13 VAL 71 14.797 -4.796 -6.446 402 HG21 VAL 71 HG21 VAL 71 16.056 -4.438 -3.769 403 HG22 VAL 71 HG22 VAL 71 16.633 -5.993 -3.122 404 HG23 VAL 71 HG23 VAL 71 17.387 -5.300 -4.578 405 H LYS 72 H LYS 72 14.917 -5.283 -2.015 406 HA LYS 72 HA LYS 72 14.794 -7.729 -0.667 407 HB2 LYS 72 HB2 LYS 72 15.537 -6.548 1.193 408 HB3 LYS 72 HB3 LYS 72 16.159 -5.609 -0.150 409 HG2 LYS 72 HG2 LYS 72 14.481 -3.918 0.096 410 HG3 LYS 72 HG3 LYS 72 13.456 -4.949 1.074 411 HD2 LYS 72 HD2 LYS 72 14.837 -3.106 2.292 412 HD3 LYS 72 HD3 LYS 72 14.812 -4.709 3.000 413 HE2 LYS 72 HE2 LYS 72 17.119 -3.942 2.996 414 HE3 LYS 72 HE3 LYS 72 16.986 -5.225 1.811 415 HZ1 LYS 72 HZ1 LYS 72 16.715 -2.399 1.080 416 HZ2 LYS 72 HZ2 LYS 72 18.156 -3.168 1.084 417 HZ3 LYS 72 HZ3 LYS 72 16.965 -3.670 0.086 418 H LYS 73 H LYS 73 12.460 -5.040 -1.077 419 HA LYS 73 HA LYS 73 10.642 -6.046 0.850 420 HB2 LYS 73 HB2 LYS 73 10.930 -3.651 -0.174 421 HB3 LYS 73 HB3 LYS 73 9.860 -4.244 -1.427 422 HG2 LYS 73 HG2 LYS 73 8.041 -4.464 0.019 423 HG3 LYS 73 HG3 LYS 73 9.047 -4.785 1.417 424 HD2 LYS 73 HD2 LYS 73 9.328 -2.063 0.187 425 HD3 LYS 73 HD3 LYS 73 7.805 -2.395 0.987 426 HE2 LYS 73 HE2 LYS 73 9.442 -1.401 2.569 427 HE3 LYS 73 HE3 LYS 73 8.989 -3.017 3.071 428 HZ1 LYS 73 HZ1 LYS 73 11.408 -2.367 1.535 429 HZ2 LYS 73 HZ2 LYS 73 11.367 -2.660 3.141 430 HZ3 LYS 73 HZ3 LYS 73 10.995 -3.848 2.084 431 H VAL 74 H VAL 74 11.367 -6.736 -2.537 432 HA VAL 74 HA VAL 74 8.885 -7.913 -3.171 433 HB VAL 74 HB VAL 74 11.671 -8.177 -4.307 434 HG11 VAL 74 HG11 VAL 74 9.708 -10.051 -4.680 435 HG12 VAL 74 HG12 VAL 74 9.397 -8.933 -6.029 436 HG13 VAL 74 HG13 VAL 74 11.001 -9.682 -5.846 437 HG21 VAL 74 HG21 VAL 74 9.457 -6.280 -4.632 438 HG22 VAL 74 HG22 VAL 74 11.176 -6.124 -5.067 439 HG23 VAL 74 HG23 VAL 74 10.049 -6.942 -6.175 440 H VAL 75 H VAL 75 12.102 -9.359 -2.277 441 HA VAL 75 HA VAL 75 11.128 -11.971 -2.121 442 HB VAL 75 HB VAL 75 13.447 -11.551 -2.386 443 HG11 VAL 75 HG11 VAL 75 13.162 -9.878 0.107 444 HG12 VAL 75 HG12 VAL 75 14.741 -10.547 -0.369 445 HG13 VAL 75 HG13 VAL 75 13.873 -9.447 -1.467 446 HG21 VAL 75 HG21 VAL 75 13.141 -12.582 0.450 447 HG22 VAL 75 HG22 VAL 75 12.737 -13.535 -0.998 448 HG23 VAL 75 HG23 VAL 75 14.409 -12.987 -0.731 449 H ALA 76 H ALA 76 11.157 -9.240 0.174 450 HA ALA 76 HA ALA 76 10.670 -10.659 2.509 451 HB1 ALA 76 HB1 ALA 76 9.582 -7.918 1.765 452 HB2 ALA 76 HB2 ALA 76 9.961 -8.532 3.392 453 HB3 ALA 76 HB3 ALA 76 11.273 -8.215 2.233 454 H VAL 77 H VAL 77 8.329 -9.132 0.183 455 HA VAL 77 HA VAL 77 6.033 -9.975 1.474 456 HB VAL 77 HB VAL 77 6.825 -8.852 -1.083 457 HG11 VAL 77 HG11 VAL 77 4.634 -10.923 -1.044 458 HG12 VAL 77 HG12 VAL 77 4.561 -9.534 -2.154 459 HG13 VAL 77 HG13 VAL 77 5.928 -10.671 -2.241 460 HG21 VAL 77 HG21 VAL 77 4.515 -8.618 0.837 461 HG22 VAL 77 HG22 VAL 77 5.736 -7.404 0.380 462 HG23 VAL 77 HG23 VAL 77 4.445 -7.843 -0.764 463 H CYS 78 H CYS 78 7.997 -11.587 -1.106 464 HA CYS 78 HA CYS 78 6.387 -13.750 -1.527 465 HB2 CYS 78 HB2 CYS 78 8.091 -14.533 -2.783 466 HB3 CYS 78 HB3 CYS 78 8.798 -12.958 -2.477 467 HG CYS 78 HG CYS 78 10.746 -14.494 -2.079 468 H GLU 79 H GLU 79 8.804 -13.089 1.066 469 HA GLU 79 HA GLU 79 8.546 -15.675 2.180 470 HB2 GLU 79 HB2 GLU 79 10.529 -13.997 2.360 471 HB3 GLU 79 HB3 GLU 79 9.599 -13.219 3.625 472 HG2 GLU 79 HG2 GLU 79 9.476 -15.400 4.862 473 HG3 GLU 79 HG3 GLU 79 10.429 -16.160 3.604 474 HE2 GLU 79 HE2 GLU 79 12.117 -12.996 5.150 475 H GLU 80 H GLU 80 6.919 -12.542 2.543 476 HA GLU 80 HA GLU 80 5.771 -13.117 5.038 477 HB2 GLU 80 HB2 GLU 80 5.138 -11.118 2.840 478 HB3 GLU 80 HB3 GLU 80 4.157 -11.219 4.288 479 HG2 GLU 80 HG2 GLU 80 6.179 -10.831 5.699 480 HG3 GLU 80 HG3 GLU 80 7.179 -10.761 4.261 481 HE2 GLU 80 HE2 GLU 80 6.604 -7.453 5.133 482 H LEU 81 H LEU 81 5.131 -14.164 1.778 483 HA LEU 81 HA LEU 81 2.354 -14.757 2.293 484 HB2 LEU 81 HB2 LEU 81 4.189 -15.235 -0.053 485 HB3 LEU 81 HB3 LEU 81 2.530 -15.797 0.000 486 HG LEU 81 HG LEU 81 3.547 -12.959 -0.081 487 HD11 LEU 81 HD11 LEU 81 1.378 -13.425 -1.839 488 HD12 LEU 81 HD12 LEU 81 3.091 -13.154 -2.241 489 HD13 LEU 81 HD13 LEU 81 2.486 -14.810 -1.996 490 HD21 LEU 81 HD21 LEU 81 1.918 -12.755 1.589 491 HD22 LEU 81 HD22 LEU 81 1.068 -12.330 0.084 492 HD23 LEU 81 HD23 LEU 81 0.838 -13.938 0.812 493 H GLY 82 H GLY 82 5.463 -16.183 2.841 494 HA2 GLY 82 HA2 GLY 82 6.116 -18.341 3.216 495 HA3 GLY 82 HA3 GLY 82 4.827 -18.217 4.397 496 H ALA 83 H ALA 83 4.914 -18.539 0.769 497 HA ALA 83 HA ALA 83 3.316 -20.980 1.084 498 HB1 ALA 83 HB1 ALA 83 2.773 -19.149 -1.225 499 HB2 ALA 83 HB2 ALA 83 1.672 -20.237 -0.347 500 HB3 ALA 83 HB3 ALA 83 2.139 -18.677 0.370 501 H GLU 84 H GLU 84 3.961 -22.674 -0.219 502 HA GLU 84 HA GLU 84 5.770 -22.036 -2.383 503 HB2 GLU 84 HB2 GLU 84 6.739 -22.940 0.091 504 HB3 GLU 84 HB3 GLU 84 6.682 -24.397 -0.881 505 HG2 GLU 84 HG2 GLU 84 8.759 -23.640 -1.556 506 HG3 GLU 84 HG3 GLU 84 7.790 -22.771 -2.728 507 HE2 GLU 84 HE2 GLU 84 9.235 -20.367 -2.389 508 H GLU 85 H GLU 85 2.911 -23.009 -1.965 509 HA GLU 85 HA GLU 85 2.546 -24.542 -4.048 510 HB2 GLU 85 HB2 GLU 85 3.912 -26.367 -3.554 511 HB3 GLU 85 HB3 GLU 85 3.625 -26.262 -1.829 512 HG2 GLU 85 HG2 GLU 85 1.321 -26.959 -3.667 513 HG3 GLU 85 HG3 GLU 85 2.494 -28.196 -3.262 514 HE2 GLU 85 HE2 GLU 85 0.534 -28.945 -2.426 515 H CYS 86 H CYS 86 0.341 -25.329 -4.219 516 HA CYS 86 HA CYS 86 -1.267 -24.477 -1.932 517 HB2 CYS 86 HB2 CYS 86 -3.112 -24.202 -3.531 518 HB3 CYS 86 HB3 CYS 86 -1.725 -23.224 -3.971 519 H PHE 87 H PHE 87 -1.887 -26.198 -0.668 520 HA PHE 87 HA PHE 87 -1.747 -28.851 -1.604 521 HB2 PHE 87 HB2 PHE 87 -2.734 -29.287 0.660 522 HB3 PHE 87 HB3 PHE 87 -1.475 -28.074 0.779 523 HD1 PHE 87 HD1 PHE 87 -5.093 -28.657 0.898 524 HD2 PHE 87 HD2 PHE 87 -2.000 -25.787 1.343 525 HE1 PHE 87 HE1 PHE 87 -6.710 -27.086 2.001 526 HE2 PHE 87 HE2 PHE 87 -3.617 -24.216 2.446 527 HZ PHE 87 HZ PHE 87 -5.953 -24.884 2.762 528 H SER 88 H SER 88 -4.104 -26.373 -2.023 529 HA SER 88 HA SER 88 -6.440 -27.810 -1.826 530 HB2 SER 88 HB2 SER 88 -5.549 -25.340 -3.282 531 HB3 SER 88 HB3 SER 88 -7.073 -26.047 -3.782 532 HG SER 88 HG SER 88 -6.542 -25.614 -0.990 533 H CYS 89 H CYS 89 -4.218 -27.267 -4.640 534 HA CYS 89 HA CYS 89 -5.751 -28.653 -6.497 535 HB2 CYS 89 HB2 CYS 89 -2.881 -27.809 -6.321 536 HB3 CYS 89 HB3 CYS 89 -3.329 -28.969 -7.555 537 H ASP 90 H ASP 90 -3.968 -29.682 -3.710 538 HA ASP 90 HA ASP 90 -3.701 -32.362 -4.794 539 HB2 ASP 90 HB2 ASP 90 -2.633 -31.105 -2.222 540 HB3 ASP 90 HB3 ASP 90 -2.356 -32.771 -2.690 541 HD2 ASP 90 HD2 ASP 90 -0.822 -30.273 -5.338 542 H PHE 91 H PHE 91 -5.776 -30.346 -2.974 543 HA PHE 91 HA PHE 91 -6.598 -32.274 -1.027 544 HB2 PHE 91 HB2 PHE 91 -6.656 -29.708 -0.851 545 HB3 PHE 91 HB3 PHE 91 -7.887 -29.692 -2.098 546 HD1 PHE 91 HD2 PHE 91 -10.103 -30.830 -1.618 547 HD2 PHE 91 HD1 PHE 91 -7.231 -30.049 1.406 548 HE1 PHE 91 HE2 PHE 91 -11.882 -31.077 0.135 549 HE2 PHE 91 HE1 PHE 91 -9.010 -30.296 3.159 550 HZ PHE 91 HZ PHE 91 -11.315 -30.807 2.503 551 H ASP 92 H ASP 92 -7.650 -34.100 -1.693 552 HA ASP 92 HA ASP 92 -8.836 -34.549 -4.028 553 HB2 ASP 92 HB2 ASP 92 -10.133 -36.319 -2.914 554 HB3 ASP 92 HB3 ASP 92 -8.519 -36.242 -2.237 555 HD2 ASP 92 HD2 ASP 92 -10.118 -34.527 0.655 Start of MODEL 7 1 H SER 16 H SER 16 0.221 1.398 -1.979 2 HA SER 16 HA SER 16 1.850 0.050 -1.476 3 HB2 SER 16 HB2 SER 16 0.344 0.083 0.691 4 HB3 SER 16 HB3 SER 16 0.007 -1.587 0.283 5 HG SER 16 HG SER 16 2.733 -0.939 0.163 6 H GLU 17 H GLU 17 0.542 -0.644 -3.879 7 HA GLU 17 HA GLU 17 0.524 -3.556 -3.740 8 HB2 GLU 17 HB2 GLU 17 -1.564 -2.268 -4.562 9 HB3 GLU 17 HB3 GLU 17 -0.631 -1.870 -5.992 10 HG2 GLU 17 HG2 GLU 17 -0.386 -4.196 -6.605 11 HG3 GLU 17 HG3 GLU 17 -0.945 -4.746 -5.038 12 HE2 GLU 17 HE2 GLU 17 -4.041 -2.898 -6.321 13 H ALA 18 H ALA 18 2.437 -0.904 -4.545 14 HA ALA 18 HA ALA 18 3.497 -1.474 -7.014 15 HB1 ALA 18 HB1 ALA 18 4.091 0.559 -5.954 16 HB2 ALA 18 HB2 ALA 18 4.635 -0.270 -4.476 17 HB3 ALA 18 HB3 ALA 18 5.597 -0.390 -5.969 18 H VAL 19 H VAL 19 4.497 -2.732 -3.760 19 HA VAL 19 HA VAL 19 6.561 -4.340 -4.741 20 HB VAL 19 HB VAL 19 6.149 -3.565 -2.389 21 HG11 VAL 19 HG11 VAL 19 3.741 -4.202 -2.307 22 HG12 VAL 19 HG12 VAL 19 4.228 -5.914 -2.285 23 HG13 VAL 19 HG13 VAL 19 4.687 -4.841 -0.941 24 HG21 VAL 19 HG21 VAL 19 6.698 -6.502 -2.914 25 HG22 VAL 19 HG22 VAL 19 7.880 -5.175 -2.805 26 HG23 VAL 19 HG23 VAL 19 6.990 -5.696 -1.354 27 H TYR 20 H TYR 20 3.110 -5.103 -3.913 28 HA TYR 20 HA TYR 20 3.134 -7.773 -4.500 29 HB2 TYR 20 HB2 TYR 20 1.246 -5.423 -4.531 30 HB3 TYR 20 HB3 TYR 20 0.683 -6.803 -5.452 31 HD1 TYR 20 HD1 TYR 20 2.795 -7.488 -2.561 32 HD2 TYR 20 HD2 TYR 20 -1.241 -6.953 -3.875 33 HE1 TYR 20 HE1 TYR 20 1.947 -8.572 -0.423 34 HE2 TYR 20 HE2 TYR 20 -2.076 -8.039 -1.733 35 HH TYR 20 HH TYR 20 -0.752 -9.889 -0.020 36 H ILE 21 H ILE 21 3.233 -4.994 -6.717 37 HA ILE 21 HA ILE 21 2.499 -6.533 -9.006 38 HB ILE 21 HB ILE 21 3.040 -3.774 -8.327 39 HG12 ILE 21 HG12 ILE 21 0.874 -4.645 -9.071 40 HG13 ILE 21 HG13 ILE 21 1.447 -3.357 -10.112 41 HG21 ILE 21 HG21 ILE 21 3.807 -3.206 -10.708 42 HG22 ILE 21 HG22 ILE 21 5.028 -3.801 -9.558 43 HG23 ILE 21 HG23 ILE 21 4.361 -4.895 -10.794 44 HD11 ILE 21 HD11 ILE 21 0.767 -6.068 -10.826 45 HD12 ILE 21 HD12 ILE 21 1.263 -4.735 -11.895 46 HD13 ILE 21 HD13 ILE 21 2.492 -5.805 -11.179 47 H ALA 22 H ALA 22 5.590 -5.197 -7.661 48 HA ALA 22 HA ALA 22 7.288 -6.073 -9.618 49 HB1 ALA 22 HB1 ALA 22 9.015 -5.927 -7.904 50 HB2 ALA 22 HB2 ALA 22 7.836 -4.617 -7.656 51 HB3 ALA 22 HB3 ALA 22 7.794 -6.060 -6.615 52 H ILE 23 H ILE 23 5.732 -7.896 -6.953 53 HA ILE 23 HA ILE 23 7.264 -10.258 -7.540 54 HB ILE 23 HB ILE 23 6.239 -11.203 -5.693 55 HG12 ILE 23 HG12 ILE 23 4.047 -9.139 -5.580 56 HG13 ILE 23 HG13 ILE 23 3.887 -10.559 -6.594 57 HG21 ILE 23 HG21 ILE 23 5.894 -8.631 -4.427 58 HG22 ILE 23 HG22 ILE 23 7.182 -9.841 -4.216 59 HG23 ILE 23 HG23 ILE 23 7.313 -8.617 -5.502 60 HD11 ILE 23 HD11 ILE 23 4.736 -11.763 -4.303 61 HD12 ILE 23 HD12 ILE 23 3.912 -10.345 -3.612 62 HD13 ILE 23 HD13 ILE 23 3.018 -11.468 -4.665 63 H GLU 24 H GLU 24 4.131 -8.806 -8.385 64 HA GLU 24 HA GLU 24 3.058 -11.205 -9.402 65 HB2 GLU 24 HB2 GLU 24 1.643 -9.318 -8.649 66 HB3 GLU 24 HB3 GLU 24 2.296 -8.295 -9.914 67 HG2 GLU 24 HG2 GLU 24 1.041 -10.939 -10.683 68 HG3 GLU 24 HG3 GLU 24 -0.007 -9.599 -10.265 69 HE2 GLU 24 HE2 GLU 24 -0.609 -9.503 -12.555 70 H ALA 25 H ALA 25 5.536 -9.112 -10.478 71 HA ALA 25 HA ALA 25 5.058 -9.103 -13.245 72 HB1 ALA 25 HB1 ALA 25 7.400 -8.419 -13.384 73 HB2 ALA 25 HB2 ALA 25 6.621 -7.597 -12.011 74 HB3 ALA 25 HB3 ALA 25 7.694 -8.988 -11.723 75 H GLY 26 H GLY 26 5.791 -11.646 -11.051 76 HA2 GLY 26 HA2 GLY 26 5.565 -13.849 -12.171 77 HA3 GLY 26 HA3 GLY 26 6.820 -13.313 -13.270 78 H THR 27 H THR 27 6.681 -12.601 -9.743 79 HA THR 27 HA THR 27 9.268 -13.941 -9.475 80 HB THR 27 HB THR 27 8.332 -11.458 -8.669 81 HG1 THR 27 HG1 THR 27 10.245 -11.972 -7.027 82 HG21 THR 27 HG21 THR 27 6.924 -12.650 -6.870 83 HG22 THR 27 HG22 THR 27 8.458 -13.238 -6.186 84 HG23 THR 27 HG23 THR 27 8.122 -11.491 -6.247 85 H LEU 28 H LEU 28 5.871 -14.134 -8.444 86 HA LEU 28 HA LEU 28 6.610 -16.581 -6.994 87 HB2 LEU 28 HB2 LEU 28 4.955 -14.273 -6.205 88 HB3 LEU 28 HB3 LEU 28 4.238 -15.840 -5.887 89 HG LEU 28 HG LEU 28 6.805 -16.170 -4.927 90 HD11 LEU 28 HD11 LEU 28 6.435 -13.832 -3.391 91 HD12 LEU 28 HD12 LEU 28 7.765 -14.216 -4.510 92 HD13 LEU 28 HD13 LEU 28 6.331 -13.340 -5.098 93 HD21 LEU 28 HD21 LEU 28 5.095 -17.054 -3.659 94 HD22 LEU 28 HD22 LEU 28 5.611 -15.679 -2.654 95 HD23 LEU 28 HD23 LEU 28 4.155 -15.543 -3.669 96 H ALA 29 H ALA 29 4.744 -18.197 -6.914 97 HA ALA 29 HA ALA 29 3.172 -18.003 -9.389 98 HB1 ALA 29 HB1 ALA 29 5.060 -19.513 -9.760 99 HB2 ALA 29 HB2 ALA 29 4.666 -20.412 -8.275 100 HB3 ALA 29 HB3 ALA 29 3.551 -20.452 -9.663 101 H GLU 30 H GLU 30 1.010 -18.475 -9.167 102 HA GLU 30 HA GLU 30 0.185 -19.952 -6.846 103 HB2 GLU 30 HB2 GLU 30 -1.553 -18.134 -6.302 104 HB3 GLU 30 HB3 GLU 30 0.102 -17.806 -5.827 105 HG2 GLU 30 HG2 GLU 30 -0.679 -16.914 -8.582 106 HG3 GLU 30 HG3 GLU 30 -1.422 -16.047 -7.252 107 HE2 GLU 30 HE2 GLU 30 0.227 -14.052 -7.491 108 H CYS 31 H CYS 31 -1.999 -20.813 -7.061 109 HA CYS 31 HA CYS 31 -2.722 -21.104 -9.820 110 HB2 CYS 31 HB2 CYS 31 -3.736 -22.349 -7.254 111 HB3 CYS 31 HB3 CYS 31 -4.521 -22.626 -8.796 112 H GLU 32 H GLU 32 -4.618 -20.265 -10.797 113 HA GLU 32 HA GLU 32 -5.883 -18.178 -9.233 114 HB2 GLU 32 HB2 GLU 32 -6.586 -17.233 -11.371 115 HB3 GLU 32 HB3 GLU 32 -4.871 -17.586 -11.439 116 HG2 GLU 32 HG2 GLU 32 -6.806 -19.717 -12.356 117 HG3 GLU 32 HG3 GLU 32 -6.528 -18.342 -13.407 118 HE2 GLU 32 HE2 GLU 32 -2.990 -19.125 -13.472 119 H VAL 33 H VAL 33 -6.411 -21.221 -9.130 120 HA VAL 33 HA VAL 33 -9.232 -21.152 -9.936 121 HB VAL 33 HB VAL 33 -8.343 -22.959 -11.014 122 HG11 VAL 33 HG11 VAL 33 -6.072 -22.861 -10.320 123 HG12 VAL 33 HG12 VAL 33 -6.485 -23.301 -8.645 124 HG13 VAL 33 HG13 VAL 33 -6.634 -24.508 -9.945 125 HG21 VAL 33 HG21 VAL 33 -9.093 -24.057 -8.283 126 HG22 VAL 33 HG22 VAL 33 -10.187 -23.763 -9.656 127 HG23 VAL 33 HG23 VAL 33 -8.938 -25.027 -9.768 128 H HIS 34 H HIS 34 -6.918 -21.561 -7.257 129 HA HIS 34 HA HIS 34 -9.203 -21.408 -5.449 130 HB2 HIS 34 HB2 HIS 34 -7.829 -22.984 -3.927 131 HB3 HIS 34 HB3 HIS 34 -8.789 -23.667 -5.225 132 HD1 HIS 34 HD1 HIS 34 -7.512 -24.690 -7.276 133 HD2 HIS 34 HD2 HIS 34 -5.032 -23.252 -4.214 134 HE1 HIS 34 HE1 HIS 34 -5.181 -25.613 -7.751 135 H GLU 35 H GLU 35 -8.887 -19.263 -4.885 136 HA GLU 35 HA GLU 35 -6.351 -18.163 -4.559 137 HB2 GLU 35 HB2 GLU 35 -7.557 -16.236 -3.583 138 HB3 GLU 35 HB3 GLU 35 -8.350 -16.806 -5.038 139 HG2 GLU 35 HG2 GLU 35 -10.069 -17.954 -3.762 140 HG3 GLU 35 HG3 GLU 35 -9.193 -17.737 -2.260 141 HE2 GLU 35 HE2 GLU 35 -9.241 -15.771 -1.343 142 H GLY 36 H GLY 36 -5.165 -17.599 -2.638 143 HA2 GLY 36 HA2 GLY 36 -5.043 -17.541 -0.247 144 HA3 GLY 36 HA3 GLY 36 -6.074 -18.956 -0.177 145 H THR 37 H THR 37 -4.688 -20.276 -2.520 146 HA THR 37 HA THR 37 -2.375 -21.234 -0.997 147 HB THR 37 HB THR 37 -3.132 -22.730 -3.412 148 HG1 THR 37 HG1 THR 37 -5.057 -22.261 -1.247 149 HG21 THR 37 HG21 THR 37 -2.084 -23.383 -0.968 150 HG22 THR 37 HG22 THR 37 -3.805 -23.713 -0.657 151 HG23 THR 37 HG23 THR 37 -2.962 -24.553 -1.981 152 H TYR 38 H TYR 38 -0.434 -20.425 -1.449 153 HA TYR 38 HA TYR 38 0.113 -19.814 -4.270 154 HB2 TYR 38 HB2 TYR 38 0.334 -18.229 -1.694 155 HB3 TYR 38 HB3 TYR 38 1.658 -18.034 -2.824 156 HD1 TYR 38 HD1 TYR 38 -2.087 -18.230 -3.127 157 HD2 TYR 38 HD2 TYR 38 1.499 -16.101 -4.081 158 HE1 TYR 38 HE1 TYR 38 -3.442 -16.517 -4.428 159 HE2 TYR 38 HE2 TYR 38 0.132 -14.394 -5.379 160 HH TYR 38 HH TYR 38 -2.135 -13.554 -5.409 161 H PHE 39 H PHE 39 2.666 -19.387 -4.449 162 HA PHE 39 HA PHE 39 4.324 -20.733 -2.634 163 HB2 PHE 39 HB2 PHE 39 4.691 -22.802 -3.869 164 HB3 PHE 39 HB3 PHE 39 2.950 -22.631 -3.762 165 HD1 PHE 39 HD1 PHE 39 1.670 -21.826 -5.752 166 HD2 PHE 39 HD2 PHE 39 5.800 -22.775 -5.973 167 HE1 PHE 39 HE1 PHE 39 1.501 -21.981 -8.252 168 HE2 PHE 39 HE2 PHE 39 5.631 -22.930 -8.472 169 HZ PHE 39 HZ PHE 39 3.483 -22.531 -9.582 170 H SER 40 H SER 40 6.205 -19.632 -2.880 171 HA SER 40 HA SER 40 6.660 -18.286 -5.356 172 HB2 SER 40 HB2 SER 40 7.107 -17.250 -3.103 173 HB3 SER 40 HB3 SER 40 8.395 -18.411 -2.849 174 HG SER 40 HG SER 40 8.988 -16.212 -3.746 175 H ASP 41 H ASP 41 8.676 -18.513 -6.627 176 HA ASP 41 HA ASP 41 9.232 -20.916 -7.506 177 HB2 ASP 41 HB2 ASP 41 11.602 -20.049 -8.010 178 HB3 ASP 41 HB3 ASP 41 10.273 -19.059 -8.581 179 HD2 ASP 41 HD2 ASP 41 11.266 -18.708 -5.142 180 H SER 42 H SER 42 9.401 -22.662 -6.006 181 HA SER 42 HA SER 42 10.898 -22.467 -3.660 182 HB2 SER 42 HB2 SER 42 9.244 -24.119 -3.583 183 HB3 SER 42 HB3 SER 42 9.574 -24.683 -5.209 184 HG SER 42 HG SER 42 10.992 -26.099 -4.449 185 H GLY 43 H GLY 43 13.057 -22.948 -3.214 186 HA2 GLY 43 HA2 GLY 43 15.020 -24.225 -3.701 187 HA3 GLY 43 HA3 GLY 43 14.649 -24.117 -5.411 188 H ASP 44 H ASP 44 13.794 -21.230 -5.226 189 HA ASP 44 HA ASP 44 16.247 -19.958 -4.412 190 HB2 ASP 44 HB2 ASP 44 16.032 -20.723 -7.030 191 HB3 ASP 44 HB3 ASP 44 15.224 -19.171 -7.120 192 HD2 ASP 44 HD2 ASP 44 18.365 -18.659 -5.137 193 H ILE 45 H ILE 45 14.740 -18.996 -2.815 194 HA ILE 45 HA ILE 45 12.414 -17.623 -3.704 195 HB ILE 45 HB ILE 45 12.370 -16.803 -1.359 196 HG12 ILE 45 HG12 ILE 45 14.407 -18.600 -0.341 197 HG13 ILE 45 HG13 ILE 45 15.116 -17.408 -1.413 198 HG21 ILE 45 HG21 ILE 45 11.712 -19.236 -2.364 199 HG22 ILE 45 HG22 ILE 45 12.806 -19.706 -1.041 200 HG23 ILE 45 HG23 ILE 45 11.373 -18.707 -0.698 201 HD11 ILE 45 HD11 ILE 45 15.103 -16.098 0.471 202 HD12 ILE 45 HD12 ILE 45 13.410 -15.802 0.007 203 HD13 ILE 45 HD13 ILE 45 13.795 -17.034 1.233 204 H SER 46 H SER 46 15.843 -16.845 -3.276 205 HA SER 46 HA SER 46 15.443 -14.060 -3.218 206 HB2 SER 46 HB2 SER 46 17.860 -15.823 -3.766 207 HB3 SER 46 HB3 SER 46 17.965 -14.074 -3.820 208 HG SER 46 HG SER 46 17.292 -13.977 -1.608 209 H GLU 47 H GLU 47 15.588 -16.532 -5.720 210 HA GLU 47 HA GLU 47 16.479 -15.029 -7.838 211 HB2 GLU 47 HB2 GLU 47 16.258 -17.424 -8.042 212 HB3 GLU 47 HB3 GLU 47 14.545 -17.372 -7.679 213 HG2 GLU 47 HG2 GLU 47 14.007 -16.363 -9.790 214 HG3 GLU 47 HG3 GLU 47 15.670 -15.898 -10.090 215 HE2 GLU 47 HE2 GLU 47 13.660 -18.959 -10.477 216 H ALA 48 H ALA 48 13.358 -15.071 -6.158 217 HA ALA 48 HA ALA 48 11.881 -13.813 -8.223 218 HB1 ALA 48 HB1 ALA 48 10.848 -13.284 -5.577 219 HB2 ALA 48 HB2 ALA 48 10.215 -14.379 -6.829 220 HB3 ALA 48 HB3 ALA 48 11.427 -14.965 -5.664 221 H GLU 49 H GLU 49 13.901 -12.715 -5.475 222 HA GLU 49 HA GLU 49 13.072 -10.033 -5.695 223 HB2 GLU 49 HB2 GLU 49 14.309 -9.760 -3.805 224 HB3 GLU 49 HB3 GLU 49 14.445 -11.507 -3.819 225 HG2 GLU 49 HG2 GLU 49 16.541 -11.239 -5.270 226 HG3 GLU 49 HG3 GLU 49 16.438 -9.513 -4.988 227 HE2 GLU 49 HE2 GLU 49 18.000 -9.333 -2.444 228 H GLU 50 H GLU 50 15.687 -12.027 -7.108 229 HA GLU 50 HA GLU 50 17.094 -9.817 -8.141 230 HB2 GLU 50 HB2 GLU 50 17.165 -12.809 -8.623 231 HB3 GLU 50 HB3 GLU 50 18.119 -11.732 -9.623 232 HG2 GLU 50 HG2 GLU 50 19.536 -11.124 -7.879 233 HG3 GLU 50 HG3 GLU 50 18.292 -11.300 -6.656 234 HE2 GLU 50 HE2 GLU 50 19.106 -13.880 -5.478 235 H LEU 51 H LEU 51 15.027 -12.375 -9.707 236 HA LEU 51 HA LEU 51 15.013 -11.196 -12.222 237 HB2 LEU 51 HB2 LEU 51 13.908 -13.032 -12.733 238 HB3 LEU 51 HB3 LEU 51 14.049 -13.495 -11.049 239 HG LEU 51 HG LEU 51 11.702 -12.093 -12.354 240 HD11 LEU 51 HD11 LEU 51 10.498 -14.091 -12.103 241 HD12 LEU 51 HD12 LEU 51 12.087 -14.592 -12.731 242 HD13 LEU 51 HD13 LEU 51 11.710 -14.791 -11.003 243 HD21 LEU 51 HD21 LEU 51 11.182 -11.262 -10.362 244 HD22 LEU 51 HD22 LEU 51 10.962 -12.932 -9.786 245 HD23 LEU 51 HD23 LEU 51 12.533 -12.120 -9.583 246 H ALA 52 H ALA 52 13.315 -10.392 -9.242 247 HA ALA 52 HA ALA 52 11.233 -8.917 -10.496 248 HB1 ALA 52 HB1 ALA 52 10.778 -9.727 -8.327 249 HB2 ALA 52 HB2 ALA 52 12.345 -9.170 -7.691 250 HB3 ALA 52 HB3 ALA 52 11.070 -7.989 -8.079 251 H ARG 53 H ARG 53 14.427 -8.123 -8.994 252 HA ARG 53 HA ARG 53 14.199 -5.406 -9.189 253 HB2 ARG 53 HB2 ARG 53 16.345 -5.459 -8.386 254 HB3 ARG 53 HB3 ARG 53 16.139 -7.199 -8.344 255 HG2 ARG 53 HG2 ARG 53 17.106 -7.411 -10.609 256 HG3 ARG 53 HG3 ARG 53 17.207 -5.668 -10.763 257 HD2 ARG 53 HD2 ARG 53 19.409 -6.647 -10.135 258 HD3 ARG 53 HD3 ARG 53 18.827 -5.554 -8.896 259 HE ARG 53 HE ARG 53 17.840 -8.040 -8.113 260 HH11 ARG 53 HH22 ARG 53 21.033 -6.748 -8.832 261 HH12 ARG 53 HH21 ARG 53 21.853 -7.822 -7.749 262 HH21 ARG 53 HH12 ARG 53 18.921 -9.457 -6.683 263 HH22 ARG 53 HH11 ARG 53 20.643 -9.374 -6.518 264 H GLU 54 H GLU 54 15.402 -7.849 -11.568 265 HA GLU 54 HA GLU 54 16.101 -5.855 -13.455 266 HB2 GLU 54 HB2 GLU 54 17.071 -8.256 -13.174 267 HB3 GLU 54 HB3 GLU 54 15.660 -8.799 -14.061 268 HG2 GLU 54 HG2 GLU 54 16.336 -6.946 -15.813 269 HG3 GLU 54 HG3 GLU 54 17.896 -6.980 -15.014 270 HE2 GLU 54 HE2 GLU 54 17.685 -8.500 -17.846 271 H LYS 55 H LYS 55 13.254 -7.867 -12.724 272 HA LYS 55 HA LYS 55 11.938 -7.572 -15.169 273 HB2 LYS 55 HB2 LYS 55 11.195 -8.335 -12.382 274 HB3 LYS 55 HB3 LYS 55 9.892 -7.869 -13.457 275 HG2 LYS 55 HG2 LYS 55 12.016 -9.899 -14.271 276 HG3 LYS 55 HG3 LYS 55 10.548 -10.370 -13.438 277 HD2 LYS 55 HD2 LYS 55 10.622 -8.838 -16.081 278 HD3 LYS 55 HD3 LYS 55 10.370 -10.566 -15.942 279 HE2 LYS 55 HE2 LYS 55 8.393 -9.915 -14.321 280 HE3 LYS 55 HE3 LYS 55 8.540 -8.319 -15.031 281 HZ1 LYS 55 HZ1 LYS 55 7.980 -10.828 -16.444 282 HZ2 LYS 55 HZ2 LYS 55 6.999 -9.531 -16.295 283 HZ3 LYS 55 HZ3 LYS 55 8.343 -9.436 -17.217 284 H PHE 56 H PHE 56 11.699 -5.660 -12.092 285 HA PHE 56 HA PHE 56 9.972 -3.754 -13.302 286 HB2 PHE 56 HB2 PHE 56 9.907 -2.964 -11.083 287 HB3 PHE 56 HB3 PHE 56 10.565 -4.556 -10.762 288 HD1 PHE 56 HD1 PHE 56 11.801 -1.154 -11.701 289 HD2 PHE 56 HD2 PHE 56 12.418 -4.669 -9.404 290 HE1 PHE 56 HE1 PHE 56 13.820 -0.106 -10.640 291 HE2 PHE 56 HE2 PHE 56 14.437 -3.621 -8.343 292 HZ PHE 56 HZ PHE 56 15.114 -1.353 -8.973 293 H GLU 57 H GLU 57 13.495 -3.959 -12.566 294 HA GLU 57 HA GLU 57 14.134 -1.349 -13.059 295 HB2 GLU 57 HB2 GLU 57 15.777 -2.813 -12.104 296 HB3 GLU 57 HB3 GLU 57 15.681 -3.934 -13.447 297 HG2 GLU 57 HG2 GLU 57 16.586 -2.118 -14.966 298 HG3 GLU 57 HG3 GLU 57 16.777 -1.085 -13.564 299 HE2 GLU 57 HE2 GLU 57 18.950 -4.309 -12.899 300 H LYS 58 H LYS 58 13.666 -4.094 -15.337 301 HA LYS 58 HA LYS 58 14.412 -2.445 -17.585 302 HB2 LYS 58 HB2 LYS 58 15.134 -4.621 -17.885 303 HB3 LYS 58 HB3 LYS 58 13.708 -5.325 -17.150 304 HG2 LYS 58 HG2 LYS 58 12.358 -4.456 -19.143 305 HG3 LYS 58 HG3 LYS 58 13.873 -3.989 -19.890 306 HD2 LYS 58 HD2 LYS 58 13.776 -6.797 -18.872 307 HD3 LYS 58 HD3 LYS 58 12.693 -6.453 -20.207 308 HE2 LYS 58 HE2 LYS 58 15.707 -5.947 -20.170 309 HE3 LYS 58 HE3 LYS 58 14.891 -7.226 -21.048 310 HZ1 LYS 58 HZ1 LYS 58 14.821 -4.356 -21.558 311 HZ2 LYS 58 HZ2 LYS 58 15.144 -5.574 -22.596 312 HZ3 LYS 58 HZ3 LYS 58 13.611 -5.308 -22.102 313 H GLY 59 H GLY 59 11.634 -3.012 -15.636 314 HA2 GLY 59 HA2 GLY 59 9.808 -2.265 -17.825 315 HA3 GLY 59 HA3 GLY 59 9.361 -2.997 -16.297 316 H GLU 60 H GLU 60 8.451 -1.648 -14.812 317 HA GLU 60 HA GLU 60 9.297 1.141 -14.933 318 HB2 GLU 60 HB2 GLU 60 6.967 0.720 -15.856 319 HB3 GLU 60 HB3 GLU 60 6.487 0.167 -14.264 320 HG2 GLU 60 HG2 GLU 60 5.979 2.622 -14.763 321 HG3 GLU 60 HG3 GLU 60 6.858 2.329 -13.276 322 HE2 GLU 60 HE2 GLU 60 7.614 4.577 -13.656 323 H VAL 61 H VAL 61 8.738 2.329 -12.771 324 HA VAL 61 HA VAL 61 9.157 0.447 -10.553 325 HB VAL 61 HB VAL 61 10.393 2.537 -9.581 326 HG11 VAL 61 HG11 VAL 61 11.362 0.287 -10.068 327 HG12 VAL 61 HG12 VAL 61 11.727 0.844 -11.718 328 HG13 VAL 61 HG13 VAL 61 12.505 1.628 -10.322 329 HG21 VAL 61 HG21 VAL 61 11.632 3.804 -11.305 330 HG22 VAL 61 HG22 VAL 61 10.673 2.999 -12.570 331 HG23 VAL 61 HG23 VAL 61 9.876 4.078 -11.400 332 H SER 62 H SER 62 7.398 0.420 -9.261 333 HA SER 62 HA SER 62 5.652 2.705 -9.345 334 HB2 SER 62 HB2 SER 62 4.754 0.373 -9.518 335 HB3 SER 62 HB3 SER 62 5.350 0.032 -7.905 336 HG SER 62 HG SER 62 3.313 1.944 -8.657 337 H ASN 63 H ASN 63 6.856 4.299 -8.161 338 HA ASN 63 HA ASN 63 7.572 5.371 -6.418 339 HB2 ASN 63 HB2 ASN 63 5.938 3.426 -4.709 340 HB3 ASN 63 HB3 ASN 63 6.425 5.047 -4.256 341 HD21 ASN 63 HD21 ASN 63 5.794 6.768 -5.932 342 HD22 ASN 63 HD22 ASN 63 4.162 6.721 -6.511 343 H PHE 64 H PHE 64 9.514 3.710 -7.238 344 HA PHE 64 HA PHE 64 10.286 1.952 -5.060 345 HB2 PHE 64 HB2 PHE 64 11.594 0.944 -6.746 346 HB3 PHE 64 HB3 PHE 64 10.390 1.706 -7.766 347 HD1 PHE 64 HD1 PHE 64 10.973 4.199 -8.470 348 HD2 PHE 64 HD2 PHE 64 13.822 1.311 -7.224 349 HE1 PHE 64 HE1 PHE 64 12.783 5.474 -9.652 350 HE2 PHE 64 HE2 PHE 64 15.632 2.586 -8.407 351 HZ PHE 64 HZ PHE 64 15.091 4.652 -9.607 352 H ASP 65 H ASP 65 11.724 2.533 -3.499 353 HA ASP 65 HA ASP 65 12.851 5.135 -3.652 354 HB2 ASP 65 HB2 ASP 65 11.987 3.715 -1.575 355 HB3 ASP 65 HB3 ASP 65 13.610 3.053 -1.584 356 HD2 ASP 65 HD2 ASP 65 14.028 6.933 -1.144 357 H ASP 66 H ASP 66 14.071 1.711 -3.375 358 HA ASP 66 HA ASP 66 16.387 2.514 -4.895 359 HB2 ASP 66 HB2 ASP 66 16.642 0.925 -2.302 360 HB3 ASP 66 HB3 ASP 66 17.956 1.467 -3.327 361 HD2 ASP 66 HD2 ASP 66 17.410 4.832 -2.493 362 H VAL 67 H VAL 67 17.188 0.733 -6.171 363 HA VAL 67 HA VAL 67 15.463 -1.267 -6.847 364 HB VAL 67 HB VAL 67 17.264 -0.644 -8.258 365 HG11 VAL 67 HG11 VAL 67 19.454 -1.875 -6.701 366 HG12 VAL 67 HG12 VAL 67 19.425 -0.377 -7.661 367 HG13 VAL 67 HG13 VAL 67 18.779 -0.384 -6.002 368 HG21 VAL 67 HG21 VAL 67 16.941 -2.761 -8.972 369 HG22 VAL 67 HG22 VAL 67 18.539 -3.059 -8.247 370 HG23 VAL 67 HG23 VAL 67 17.061 -3.443 -7.332 371 H GLU 68 H GLU 68 18.070 -1.280 -4.357 372 HA GLU 68 HA GLU 68 17.775 -3.995 -3.770 373 HB2 GLU 68 HB2 GLU 68 19.080 -1.624 -2.447 374 HB3 GLU 68 HB3 GLU 68 18.870 -3.082 -1.497 375 HG2 GLU 68 HG2 GLU 68 20.037 -4.403 -3.285 376 HG3 GLU 68 HG3 GLU 68 20.264 -2.934 -4.213 377 HE2 GLU 68 HE2 GLU 68 21.413 -4.821 -1.844 378 H GLU 69 H GLU 69 15.999 -1.090 -2.856 379 HA GLU 69 HA GLU 69 14.868 -2.205 -0.522 380 HB2 GLU 69 HB2 GLU 69 15.134 0.291 -1.152 381 HB3 GLU 69 HB3 GLU 69 13.720 0.082 -2.166 382 HG2 GLU 69 HG2 GLU 69 12.602 -0.937 -0.010 383 HG3 GLU 69 HG3 GLU 69 13.921 -0.172 0.854 384 HE2 GLU 69 HE2 GLU 69 11.430 0.411 -1.363 385 H LEU 70 H LEU 70 13.769 -1.731 -3.940 386 HA LEU 70 HA LEU 70 11.203 -2.755 -3.574 387 HB2 LEU 70 HB2 LEU 70 12.452 -1.494 -5.553 388 HB3 LEU 70 HB3 LEU 70 12.645 -3.129 -6.155 389 HG LEU 70 HG LEU 70 10.262 -1.417 -6.056 390 HD11 LEU 70 HD11 LEU 70 9.744 -2.440 -8.077 391 HD12 LEU 70 HD12 LEU 70 11.524 -2.454 -8.062 392 HD13 LEU 70 HD13 LEU 70 10.620 -3.934 -7.665 393 HD21 LEU 70 HD21 LEU 70 9.366 -2.762 -4.383 394 HD22 LEU 70 HD22 LEU 70 8.756 -3.507 -5.880 395 HD23 LEU 70 HD23 LEU 70 10.130 -4.239 -5.017 396 H VAL 71 H VAL 71 14.242 -4.370 -4.738 397 HA VAL 71 HA VAL 71 13.180 -6.888 -5.054 398 HB VAL 71 HB VAL 71 15.499 -7.661 -4.772 399 HG11 VAL 71 HG11 VAL 71 14.800 -6.751 -6.922 400 HG12 VAL 71 HG12 VAL 71 15.193 -5.101 -6.379 401 HG13 VAL 71 HG13 VAL 71 16.490 -6.302 -6.589 402 HG21 VAL 71 HG21 VAL 71 16.294 -6.351 -2.941 403 HG22 VAL 71 HG22 VAL 71 17.269 -5.902 -4.360 404 HG23 VAL 71 HG23 VAL 71 15.966 -4.827 -3.800 405 H LYS 72 H LYS 72 14.731 -5.426 -2.115 406 HA LYS 72 HA LYS 72 14.464 -7.626 -0.476 407 HB2 LYS 72 HB2 LYS 72 15.814 -5.623 0.021 408 HB3 LYS 72 HB3 LYS 72 14.354 -4.686 0.261 409 HG2 LYS 72 HG2 LYS 72 13.807 -6.756 1.944 410 HG3 LYS 72 HG3 LYS 72 15.557 -6.812 2.005 411 HD2 LYS 72 HD2 LYS 72 15.728 -4.593 2.865 412 HD3 LYS 72 HD3 LYS 72 14.109 -4.166 2.347 413 HE2 LYS 72 HE2 LYS 72 13.078 -5.402 4.101 414 HE3 LYS 72 HE3 LYS 72 14.499 -6.390 4.374 415 HZ1 LYS 72 HZ1 LYS 72 14.332 -4.759 6.068 416 HZ2 LYS 72 HZ2 LYS 72 15.624 -4.373 5.148 417 HZ3 LYS 72 HZ3 LYS 72 14.233 -3.532 4.996 418 H LYS 73 H LYS 73 12.077 -5.188 -1.515 419 HA LYS 73 HA LYS 73 10.137 -5.953 0.417 420 HB2 LYS 73 HB2 LYS 73 9.951 -4.359 -2.155 421 HB3 LYS 73 HB3 LYS 73 8.617 -4.585 -1.043 422 HG2 LYS 73 HG2 LYS 73 11.204 -3.636 0.151 423 HG3 LYS 73 HG3 LYS 73 10.351 -2.495 -0.869 424 HD2 LYS 73 HD2 LYS 73 8.976 -4.005 1.396 425 HD3 LYS 73 HD3 LYS 73 9.760 -2.457 1.642 426 HE2 LYS 73 HE2 LYS 73 8.286 -1.417 -0.079 427 HE3 LYS 73 HE3 LYS 73 7.523 -2.966 -0.379 428 HZ1 LYS 73 HZ1 LYS 73 7.473 -1.470 2.148 429 HZ2 LYS 73 HZ2 LYS 73 6.216 -1.725 1.137 430 HZ3 LYS 73 HZ3 LYS 73 6.863 -2.974 1.967 431 H VAL 74 H VAL 74 11.153 -7.089 -2.781 432 HA VAL 74 HA VAL 74 8.769 -8.548 -3.299 433 HB VAL 74 HB VAL 74 11.564 -8.808 -4.427 434 HG11 VAL 74 HG11 VAL 74 8.888 -9.864 -5.389 435 HG12 VAL 74 HG12 VAL 74 10.351 -9.794 -6.401 436 HG13 VAL 74 HG13 VAL 74 10.330 -10.802 -4.934 437 HG21 VAL 74 HG21 VAL 74 10.091 -7.565 -6.354 438 HG22 VAL 74 HG22 VAL 74 9.373 -6.872 -4.880 439 HG23 VAL 74 HG23 VAL 74 11.123 -6.721 -5.173 440 H VAL 75 H VAL 75 12.010 -9.299 -1.895 441 HA VAL 75 HA VAL 75 11.413 -12.057 -1.574 442 HB VAL 75 HB VAL 75 13.619 -10.250 -1.231 443 HG11 VAL 75 HG11 VAL 75 13.281 -12.247 1.031 444 HG12 VAL 75 HG12 VAL 75 14.682 -11.188 0.741 445 HG13 VAL 75 HG13 VAL 75 13.110 -10.483 1.189 446 HG21 VAL 75 HG21 VAL 75 14.862 -12.056 -1.938 447 HG22 VAL 75 HG22 VAL 75 13.880 -13.231 -1.031 448 HG23 VAL 75 HG23 VAL 75 13.251 -12.520 -2.537 449 H ALA 76 H ALA 76 10.966 -9.086 0.342 450 HA ALA 76 HA ALA 76 10.519 -10.328 2.813 451 HB1 ALA 76 HB1 ALA 76 9.279 -8.125 3.255 452 HB2 ALA 76 HB2 ALA 76 10.982 -7.992 2.755 453 HB3 ALA 76 HB3 ALA 76 9.683 -7.685 1.579 454 H VAL 77 H VAL 77 8.298 -9.345 0.125 455 HA VAL 77 HA VAL 77 5.980 -10.252 1.464 456 HB VAL 77 HB VAL 77 4.870 -9.803 -0.582 457 HG11 VAL 77 HG11 VAL 77 6.490 -7.616 -1.223 458 HG12 VAL 77 HG12 VAL 77 5.163 -7.654 -0.037 459 HG13 VAL 77 HG13 VAL 77 6.838 -7.946 0.491 460 HG21 VAL 77 HG21 VAL 77 5.849 -9.653 -2.719 461 HG22 VAL 77 HG22 VAL 77 7.497 -9.538 -2.055 462 HG23 VAL 77 HG23 VAL 77 6.610 -11.080 -1.974 463 H CYS 78 H CYS 78 8.405 -11.737 -0.701 464 HA CYS 78 HA CYS 78 7.000 -13.983 -1.436 465 HB2 CYS 78 HB2 CYS 78 8.911 -14.209 -2.565 466 HB3 CYS 78 HB3 CYS 78 9.737 -13.079 -1.511 467 HG CYS 78 HG CYS 78 11.120 -15.265 -1.530 468 H GLU 79 H GLU 79 9.142 -13.372 1.438 469 HA GLU 79 HA GLU 79 8.626 -15.915 2.528 470 HB2 GLU 79 HB2 GLU 79 10.032 -13.410 3.400 471 HB3 GLU 79 HB3 GLU 79 9.563 -14.536 4.659 472 HG2 GLU 79 HG2 GLU 79 10.968 -15.587 2.190 473 HG3 GLU 79 HG3 GLU 79 11.912 -14.789 3.433 474 HE2 GLU 79 HE2 GLU 79 9.535 -17.351 5.046 475 H GLU 80 H GLU 80 7.273 -12.614 2.972 476 HA GLU 80 HA GLU 80 5.772 -13.202 5.226 477 HB2 GLU 80 HB2 GLU 80 5.978 -11.036 3.244 478 HB3 GLU 80 HB3 GLU 80 4.336 -11.239 3.822 479 HG2 GLU 80 HG2 GLU 80 6.699 -11.113 5.740 480 HG3 GLU 80 HG3 GLU 80 5.897 -9.661 5.175 481 HE2 GLU 80 HE2 GLU 80 4.437 -10.945 8.293 482 H LEU 81 H LEU 81 5.439 -14.203 1.920 483 HA LEU 81 HA LEU 81 2.587 -14.575 2.066 484 HB2 LEU 81 HB2 LEU 81 4.730 -14.905 0.036 485 HB3 LEU 81 HB3 LEU 81 3.309 -15.916 -0.135 486 HG LEU 81 HG LEU 81 3.442 -12.895 -0.149 487 HD11 LEU 81 HD11 LEU 81 2.269 -13.299 -2.385 488 HD12 LEU 81 HD12 LEU 81 3.997 -13.710 -2.276 489 HD13 LEU 81 HD13 LEU 81 2.770 -14.998 -2.205 490 HD21 LEU 81 HD21 LEU 81 1.458 -13.005 0.931 491 HD22 LEU 81 HD22 LEU 81 0.854 -13.362 -0.705 492 HD23 LEU 81 HD23 LEU 81 1.154 -14.689 0.442 493 H GLY 82 H GLY 82 5.408 -16.190 3.183 494 HA2 GLY 82 HA2 GLY 82 5.833 -18.373 3.714 495 HA3 GLY 82 HA3 GLY 82 4.357 -18.130 4.626 496 H ALA 83 H ALA 83 4.677 -18.248 1.033 497 HA ALA 83 HA ALA 83 3.105 -20.733 1.104 498 HB1 ALA 83 HB1 ALA 83 2.116 -18.349 0.306 499 HB2 ALA 83 HB2 ALA 83 2.871 -18.870 -1.220 500 HB3 ALA 83 HB3 ALA 83 1.637 -19.891 -0.443 501 H GLU 84 H GLU 84 3.997 -22.438 0.029 502 HA GLU 84 HA GLU 84 5.816 -21.882 -2.122 503 HB2 GLU 84 HB2 GLU 84 7.704 -23.051 -1.214 504 HB3 GLU 84 HB3 GLU 84 7.202 -21.905 0.013 505 HG2 GLU 84 HG2 GLU 84 7.268 -23.728 1.402 506 HG3 GLU 84 HG3 GLU 84 5.674 -24.053 0.749 507 HE2 GLU 84 HE2 GLU 84 9.031 -25.743 -0.419 508 H GLU 85 H GLU 85 3.100 -23.193 -1.426 509 HA GLU 85 HA GLU 85 3.163 -25.154 -3.305 510 HB2 GLU 85 HB2 GLU 85 3.279 -27.247 -2.174 511 HB3 GLU 85 HB3 GLU 85 4.635 -26.324 -1.558 512 HG2 GLU 85 HG2 GLU 85 1.924 -26.501 -0.162 513 HG3 GLU 85 HG3 GLU 85 3.293 -27.522 0.232 514 HE2 GLU 85 HE2 GLU 85 2.569 -24.004 1.453 515 H CYS 86 H CYS 86 1.035 -25.672 -3.844 516 HA CYS 86 HA CYS 86 -0.960 -24.694 -1.942 517 HB2 CYS 86 HB2 CYS 86 -2.453 -24.454 -3.902 518 HB3 CYS 86 HB3 CYS 86 -1.010 -23.468 -4.026 519 H PHE 87 H PHE 87 -1.141 -26.637 -0.689 520 HA PHE 87 HA PHE 87 -1.224 -29.191 -1.741 521 HB2 PHE 87 HB2 PHE 87 -2.194 -27.709 0.726 522 HB3 PHE 87 HB3 PHE 87 -2.773 -29.350 0.513 523 HD1 PHE 87 HD2 PHE 87 -0.649 -30.948 -0.340 524 HD2 PHE 87 HD1 PHE 87 -0.447 -27.558 2.205 525 HE1 PHE 87 HE2 PHE 87 1.477 -31.828 0.664 526 HE2 PHE 87 HE1 PHE 87 1.679 -28.438 3.208 527 HZ PHE 87 HZ PHE 87 2.615 -30.563 2.426 528 H SER 88 H SER 88 -3.523 -26.628 -2.035 529 HA SER 88 HA SER 88 -5.887 -28.037 -1.952 530 HB2 SER 88 HB2 SER 88 -6.437 -26.116 -3.808 531 HB3 SER 88 HB3 SER 88 -6.378 -25.810 -2.084 532 HG SER 88 HG SER 88 -4.159 -25.483 -3.920 533 H CYS 89 H CYS 89 -3.364 -27.746 -4.451 534 HA CYS 89 HA CYS 89 -4.885 -28.658 -6.608 535 HB2 CYS 89 HB2 CYS 89 -2.034 -28.183 -6.025 536 HB3 CYS 89 HB3 CYS 89 -2.315 -29.464 -7.187 537 H ASP 90 H ASP 90 -3.721 -30.170 -3.714 538 HA ASP 90 HA ASP 90 -3.879 -32.788 -4.968 539 HB2 ASP 90 HB2 ASP 90 -2.565 -31.695 -2.477 540 HB3 ASP 90 HB3 ASP 90 -3.033 -33.383 -2.486 541 HD2 ASP 90 HD2 ASP 90 -0.367 -32.233 -2.473 542 H PHE 91 H PHE 91 -5.885 -30.567 -3.602 543 HA PHE 91 HA PHE 91 -7.097 -31.906 -1.468 544 HB2 PHE 91 HB2 PHE 91 -8.653 -30.095 -1.673 545 HB3 PHE 91 HB3 PHE 91 -7.220 -29.430 -2.431 546 HD1 PHE 91 HD1 PHE 91 -7.349 -30.882 -5.060 547 HD2 PHE 91 HD2 PHE 91 -10.364 -28.947 -2.786 548 HE1 PHE 91 HE1 PHE 91 -8.658 -30.455 -7.158 549 HE2 PHE 91 HE2 PHE 91 -11.673 -28.520 -4.885 550 HZ PHE 91 HZ PHE 91 -10.804 -29.279 -7.046 551 H ASP 92 H ASP 92 -9.169 -33.012 -1.367 552 HA ASP 92 HA ASP 92 -9.476 -34.755 -3.595 553 HB2 ASP 92 HB2 ASP 92 -9.660 -35.494 -1.194 554 HB3 ASP 92 HB3 ASP 92 -11.096 -34.506 -1.017 555 HD2 ASP 92 HD2 ASP 92 -10.846 -37.713 -3.277 Start of MODEL 8 1 H SER 16 H SER 16 3.299 0.276 -1.360 2 HA SER 16 HA SER 16 0.817 0.571 -2.739 3 HB2 SER 16 HB2 SER 16 3.738 0.905 -3.463 4 HB3 SER 16 HB3 SER 16 2.531 0.859 -4.733 5 HG SER 16 HG SER 16 2.427 2.657 -2.463 6 H GLU 17 H GLU 17 0.793 -0.523 -5.103 7 HA GLU 17 HA GLU 17 1.053 -3.340 -4.556 8 HB2 GLU 17 HB2 GLU 17 -0.460 -1.658 -6.545 9 HB3 GLU 17 HB3 GLU 17 -0.115 -3.322 -6.973 10 HG2 GLU 17 HG2 GLU 17 -2.341 -2.860 -5.726 11 HG3 GLU 17 HG3 GLU 17 -1.362 -4.193 -5.146 12 HE2 GLU 17 HE2 GLU 17 -2.820 -1.350 -4.166 13 H ALA 18 H ALA 18 3.026 -0.930 -5.762 14 HA ALA 18 HA ALA 18 4.019 -1.911 -8.144 15 HB1 ALA 18 HB1 ALA 18 4.917 0.137 -7.726 16 HB2 ALA 18 HB2 ALA 18 4.898 -0.103 -5.962 17 HB3 ALA 18 HB3 ALA 18 6.212 -0.798 -6.941 18 H VAL 19 H VAL 19 5.084 -2.602 -4.742 19 HA VAL 19 HA VAL 19 7.130 -4.339 -5.388 20 HB VAL 19 HB VAL 19 6.832 -3.415 -3.194 21 HG11 VAL 19 HG11 VAL 19 4.994 -3.671 -1.820 22 HG12 VAL 19 HG12 VAL 19 4.217 -3.651 -3.421 23 HG13 VAL 19 HG13 VAL 19 4.495 -5.198 -2.586 24 HG21 VAL 19 HG21 VAL 19 8.074 -5.469 -3.239 25 HG22 VAL 19 HG22 VAL 19 7.022 -5.501 -1.803 26 HG23 VAL 19 HG23 VAL 19 6.581 -6.438 -3.251 27 H TYR 20 H TYR 20 3.675 -5.119 -4.561 28 HA TYR 20 HA TYR 20 3.781 -7.821 -4.899 29 HB2 TYR 20 HB2 TYR 20 1.827 -5.544 -5.239 30 HB3 TYR 20 HB3 TYR 20 1.329 -7.047 -5.990 31 HD1 TYR 20 HD1 TYR 20 3.396 -7.286 -2.996 32 HD2 TYR 20 HD2 TYR 20 -0.624 -7.072 -4.444 33 HE1 TYR 20 HE1 TYR 20 2.537 -8.125 -0.755 34 HE2 TYR 20 HE2 TYR 20 -1.470 -7.912 -2.198 35 HH TYR 20 HH TYR 20 0.571 -9.299 0.091 36 H ILE 21 H ILE 21 3.641 -5.263 -7.410 37 HA ILE 21 HA ILE 21 3.031 -6.979 -9.544 38 HB ILE 21 HB ILE 21 3.772 -4.202 -9.113 39 HG12 ILE 21 HG12 ILE 21 1.523 -4.939 -9.707 40 HG13 ILE 21 HG13 ILE 21 2.167 -3.843 -10.913 41 HG21 ILE 21 HG21 ILE 21 4.486 -3.952 -11.579 42 HG22 ILE 21 HG22 ILE 21 5.702 -4.472 -10.388 43 HG23 ILE 21 HG23 ILE 21 4.945 -5.668 -11.467 44 HD11 ILE 21 HD11 ILE 21 2.972 -6.449 -11.737 45 HD12 ILE 21 HD12 ILE 21 1.267 -6.582 -11.243 46 HD13 ILE 21 HD13 ILE 21 1.743 -5.406 -12.492 47 H ALA 22 H ALA 22 6.179 -5.666 -8.305 48 HA ALA 22 HA ALA 22 7.813 -6.902 -10.146 49 HB1 ALA 22 HB1 ALA 22 8.080 -5.875 -7.339 50 HB2 ALA 22 HB2 ALA 22 9.410 -6.854 -8.003 51 HB3 ALA 22 HB3 ALA 22 8.910 -5.358 -8.827 52 H ILE 23 H ILE 23 6.751 -8.102 -6.882 53 HA ILE 23 HA ILE 23 8.002 -10.605 -7.211 54 HB ILE 23 HB ILE 23 7.679 -10.052 -5.026 55 HG12 ILE 23 HG12 ILE 23 6.500 -12.321 -5.849 56 HG13 ILE 23 HG13 ILE 23 6.605 -11.843 -4.166 57 HG21 ILE 23 HG21 ILE 23 5.166 -9.382 -4.325 58 HG22 ILE 23 HG22 ILE 23 6.404 -8.200 -4.817 59 HG23 ILE 23 HG23 ILE 23 5.192 -8.761 -5.993 60 HD11 ILE 23 HD11 ILE 23 4.262 -12.508 -5.329 61 HD12 ILE 23 HD12 ILE 23 4.359 -11.302 -4.023 62 HD13 ILE 23 HD13 ILE 23 4.271 -10.771 -5.719 63 H GLU 24 H GLU 24 5.127 -9.185 -8.536 64 HA GLU 24 HA GLU 24 4.017 -11.815 -9.046 65 HB2 GLU 24 HB2 GLU 24 2.915 -8.995 -9.271 66 HB3 GLU 24 HB3 GLU 24 2.096 -10.345 -10.031 67 HG2 GLU 24 HG2 GLU 24 1.620 -11.401 -7.962 68 HG3 GLU 24 HG3 GLU 24 2.902 -10.556 -7.118 69 HE2 GLU 24 HE2 GLU 24 -0.211 -8.245 -8.133 70 H ALA 25 H ALA 25 6.316 -9.845 -10.375 71 HA ALA 25 HA ALA 25 5.491 -9.752 -13.085 72 HB1 ALA 25 HB1 ALA 25 7.647 -8.854 -13.474 73 HB2 ALA 25 HB2 ALA 25 7.236 -8.320 -11.826 74 HB3 ALA 25 HB3 ALA 25 8.345 -9.692 -12.067 75 H GLY 26 H GLY 26 6.186 -12.351 -11.074 76 HA2 GLY 26 HA2 GLY 26 5.920 -14.466 -12.424 77 HA3 GLY 26 HA3 GLY 26 7.356 -13.936 -13.277 78 H THR 27 H THR 27 7.703 -12.748 -10.159 79 HA THR 27 HA THR 27 9.810 -14.447 -9.512 80 HB THR 27 HB THR 27 8.209 -12.255 -8.260 81 HG1 THR 27 HG1 THR 27 10.252 -11.466 -8.603 82 HG21 THR 27 HG21 THR 27 9.696 -14.376 -6.660 83 HG22 THR 27 HG22 THR 27 9.700 -12.677 -6.129 84 HG23 THR 27 HG23 THR 27 8.162 -13.564 -6.264 85 H LEU 28 H LEU 28 6.354 -14.519 -8.481 86 HA LEU 28 HA LEU 28 6.785 -17.317 -7.787 87 HB2 LEU 28 HB2 LEU 28 5.436 -16.979 -5.710 88 HB3 LEU 28 HB3 LEU 28 7.071 -16.347 -5.678 89 HG LEU 28 HG LEU 28 5.807 -14.105 -6.429 90 HD11 LEU 28 HD11 LEU 28 3.718 -14.327 -4.658 91 HD12 LEU 28 HD12 LEU 28 3.589 -14.379 -6.432 92 HD13 LEU 28 HD13 LEU 28 3.677 -15.894 -5.501 93 HD21 LEU 28 HD21 LEU 28 5.556 -13.704 -3.840 94 HD22 LEU 28 HD22 LEU 28 6.401 -15.266 -3.736 95 HD23 LEU 28 HD23 LEU 28 7.158 -13.900 -4.589 96 H ALA 29 H ALA 29 4.446 -18.282 -7.230 97 HA ALA 29 HA ALA 29 2.458 -17.004 -8.946 98 HB1 ALA 29 HB1 ALA 29 3.777 -19.677 -9.342 99 HB2 ALA 29 HB2 ALA 29 2.051 -19.507 -9.740 100 HB3 ALA 29 HB3 ALA 29 3.255 -18.476 -10.548 101 H GLU 30 H GLU 30 0.257 -18.112 -8.630 102 HA GLU 30 HA GLU 30 -0.013 -19.682 -6.291 103 HB2 GLU 30 HB2 GLU 30 -1.441 -18.024 -5.046 104 HB3 GLU 30 HB3 GLU 30 0.249 -17.570 -5.133 105 HG2 GLU 30 HG2 GLU 30 -1.568 -16.580 -7.324 106 HG3 GLU 30 HG3 GLU 30 -1.734 -15.842 -5.743 107 HE2 GLU 30 HE2 GLU 30 0.787 -13.793 -7.111 108 H CYS 31 H CYS 31 -2.151 -20.603 -6.124 109 HA CYS 31 HA CYS 31 -3.450 -20.892 -8.553 110 HB2 CYS 31 HB2 CYS 31 -3.816 -21.824 -5.797 111 HB3 CYS 31 HB3 CYS 31 -5.337 -21.605 -6.640 112 H GLU 32 H GLU 32 -4.803 -19.484 -9.614 113 HA GLU 32 HA GLU 32 -5.597 -17.108 -8.310 114 HB2 GLU 32 HB2 GLU 32 -6.564 -16.499 -10.473 115 HB3 GLU 32 HB3 GLU 32 -4.982 -17.212 -10.722 116 HG2 GLU 32 HG2 GLU 32 -7.372 -19.052 -10.766 117 HG3 GLU 32 HG3 GLU 32 -7.131 -17.996 -12.144 118 HE2 GLU 32 HE2 GLU 32 -3.675 -19.457 -12.013 119 H VAL 33 H VAL 33 -6.755 -20.199 -8.014 120 HA VAL 33 HA VAL 33 -9.552 -19.327 -7.851 121 HB VAL 33 HB VAL 33 -9.263 -22.133 -7.514 122 HG11 VAL 33 HG11 VAL 33 -11.214 -20.914 -8.434 123 HG12 VAL 33 HG12 VAL 33 -10.271 -20.544 -9.898 124 HG13 VAL 33 HG13 VAL 33 -10.669 -22.233 -9.499 125 HG21 VAL 33 HG21 VAL 33 -7.663 -21.005 -9.829 126 HG22 VAL 33 HG22 VAL 33 -7.106 -22.105 -8.546 127 HG23 VAL 33 HG23 VAL 33 -8.266 -22.679 -9.769 128 H HIS 34 H HIS 34 -6.709 -20.440 -6.079 129 HA HIS 34 HA HIS 34 -8.342 -20.739 -3.680 130 HB2 HIS 34 HB2 HIS 34 -5.408 -21.398 -3.981 131 HB3 HIS 34 HB3 HIS 34 -6.508 -21.921 -2.721 132 HD1 HIS 34 HD1 HIS 34 -6.518 -24.422 -3.057 133 HD2 HIS 34 HD2 HIS 34 -7.185 -22.316 -6.622 134 HE1 HIS 34 HE1 HIS 34 -7.108 -26.170 -4.820 135 H GLU 35 H GLU 35 -8.782 -18.591 -3.106 136 HA GLU 35 HA GLU 35 -6.794 -16.620 -3.206 137 HB2 GLU 35 HB2 GLU 35 -9.578 -16.849 -2.095 138 HB3 GLU 35 HB3 GLU 35 -8.585 -15.528 -1.509 139 HG2 GLU 35 HG2 GLU 35 -8.072 -15.057 -4.035 140 HG3 GLU 35 HG3 GLU 35 -9.437 -16.103 -4.371 141 HE2 GLU 35 HE2 GLU 35 -10.580 -14.552 -5.112 142 H GLY 36 H GLY 36 -5.090 -16.305 -1.843 143 HA2 GLY 36 HA2 GLY 36 -4.356 -15.903 0.397 144 HA3 GLY 36 HA3 GLY 36 -5.389 -17.205 0.954 145 H THR 37 H THR 37 -4.715 -19.002 -1.361 146 HA THR 37 HA THR 37 -2.256 -20.041 -0.237 147 HB THR 37 HB THR 37 -3.058 -21.719 -2.302 148 HG1 THR 37 HG1 THR 37 -5.498 -20.900 -1.042 149 HG21 THR 37 HG21 THR 37 -4.284 -23.013 -0.589 150 HG22 THR 37 HG22 THR 37 -2.789 -22.369 0.131 151 HG23 THR 37 HG23 THR 37 -4.351 -21.587 0.473 152 H TYR 38 H TYR 38 -0.255 -19.943 -1.085 153 HA TYR 38 HA TYR 38 -0.010 -19.143 -3.882 154 HB2 TYR 38 HB2 TYR 38 1.052 -17.807 -1.332 155 HB3 TYR 38 HB3 TYR 38 1.894 -17.581 -2.852 156 HD1 TYR 38 HD2 TYR 38 -1.489 -17.188 -1.299 157 HD2 TYR 38 HD1 TYR 38 1.252 -15.855 -4.300 158 HE1 TYR 38 HE2 TYR 38 -3.056 -15.276 -1.890 159 HE2 TYR 38 HE1 TYR 38 -0.324 -13.947 -4.882 160 HH TYR 38 HH TYR 38 -2.063 -12.736 -4.051 161 H PHE 39 H PHE 39 2.563 -19.076 -4.358 162 HA PHE 39 HA PHE 39 4.124 -20.855 -2.813 163 HB2 PHE 39 HB2 PHE 39 4.102 -22.745 -4.375 164 HB3 PHE 39 HB3 PHE 39 2.424 -22.369 -4.037 165 HD1 PHE 39 HD2 PHE 39 1.010 -21.342 -5.739 166 HD2 PHE 39 HD1 PHE 39 5.060 -22.308 -6.561 167 HE1 PHE 39 HE2 PHE 39 0.572 -21.088 -8.197 168 HE2 PHE 39 HE1 PHE 39 4.621 -22.054 -9.020 169 HZ PHE 39 HZ PHE 39 2.382 -21.446 -9.808 170 H SER 40 H SER 40 6.064 -19.846 -3.014 171 HA SER 40 HA SER 40 6.618 -18.518 -5.512 172 HB2 SER 40 HB2 SER 40 8.716 -17.774 -4.131 173 HB3 SER 40 HB3 SER 40 7.151 -17.098 -3.725 174 HG SER 40 HG SER 40 7.587 -17.810 -1.751 175 H ASP 41 H ASP 41 8.566 -18.939 -6.760 176 HA ASP 41 HA ASP 41 9.125 -21.468 -7.301 177 HB2 ASP 41 HB2 ASP 41 10.136 -19.016 -8.073 178 HB3 ASP 41 HB3 ASP 41 11.546 -19.721 -7.308 179 HD2 ASP 41 HD2 ASP 41 9.509 -19.813 -9.934 180 H SER 42 H SER 42 9.446 -22.948 -5.563 181 HA SER 42 HA SER 42 11.096 -22.301 -3.385 182 HB2 SER 42 HB2 SER 42 10.560 -24.465 -2.564 183 HB3 SER 42 HB3 SER 42 9.142 -23.975 -3.468 184 HG SER 42 HG SER 42 9.914 -25.243 -5.280 185 H GLY 43 H GLY 43 13.258 -22.909 -2.940 186 HA2 GLY 43 HA2 GLY 43 15.132 -24.327 -3.404 187 HA3 GLY 43 HA3 GLY 43 14.671 -24.354 -5.094 188 H ASP 44 H ASP 44 13.936 -21.387 -5.015 189 HA ASP 44 HA ASP 44 16.552 -20.241 -4.577 190 HB2 ASP 44 HB2 ASP 44 15.003 -20.055 -7.205 191 HB3 ASP 44 HB3 ASP 44 16.421 -19.097 -6.829 192 HD2 ASP 44 HD2 ASP 44 18.514 -21.396 -6.393 193 H ILE 45 H ILE 45 15.373 -19.146 -2.800 194 HA ILE 45 HA ILE 45 13.020 -17.653 -3.358 195 HB ILE 45 HB ILE 45 14.823 -18.123 -1.048 196 HG12 ILE 45 HG12 ILE 45 12.612 -19.347 -1.765 197 HG13 ILE 45 HG13 ILE 45 12.966 -19.045 -0.075 198 HG21 ILE 45 HG21 ILE 45 13.315 -15.591 -1.489 199 HG22 ILE 45 HG22 ILE 45 13.244 -16.331 0.128 200 HG23 ILE 45 HG23 ILE 45 14.817 -15.897 -0.583 201 HD11 ILE 45 HD11 ILE 45 11.569 -16.791 -1.403 202 HD12 ILE 45 HD12 ILE 45 10.630 -18.303 -1.355 203 HD13 ILE 45 HD13 ILE 45 11.230 -17.580 0.156 204 H SER 46 H SER 46 16.497 -17.099 -3.588 205 HA SER 46 HA SER 46 16.392 -14.317 -3.454 206 HB2 SER 46 HB2 SER 46 18.381 -16.190 -4.808 207 HB3 SER 46 HB3 SER 46 18.644 -14.468 -4.618 208 HG SER 46 HG SER 46 18.177 -14.982 -2.207 209 H GLU 47 H GLU 47 15.589 -16.671 -5.946 210 HA GLU 47 HA GLU 47 16.001 -15.143 -8.195 211 HB2 GLU 47 HB2 GLU 47 14.995 -16.887 -9.285 212 HB3 GLU 47 HB3 GLU 47 15.132 -17.673 -7.724 213 HG2 GLU 47 HG2 GLU 47 12.828 -16.916 -7.130 214 HG3 GLU 47 HG3 GLU 47 12.690 -16.100 -8.675 215 HE2 GLU 47 HE2 GLU 47 14.082 -19.406 -9.281 216 H ALA 48 H ALA 48 13.530 -14.962 -5.681 217 HA ALA 48 HA ALA 48 11.527 -13.656 -7.119 218 HB1 ALA 48 HB1 ALA 48 12.343 -13.900 -4.230 219 HB2 ALA 48 HB2 ALA 48 11.072 -12.738 -4.681 220 HB3 ALA 48 HB3 ALA 48 10.865 -14.468 -5.043 221 H GLU 49 H GLU 49 14.385 -12.422 -5.274 222 HA GLU 49 HA GLU 49 13.731 -9.739 -5.720 223 HB2 GLU 49 HB2 GLU 49 16.469 -10.945 -5.125 224 HB3 GLU 49 HB3 GLU 49 15.997 -9.276 -4.872 225 HG2 GLU 49 HG2 GLU 49 14.265 -10.009 -3.226 226 HG3 GLU 49 HG3 GLU 49 14.718 -11.681 -3.487 227 HE2 GLU 49 HE2 GLU 49 17.740 -9.466 -2.657 228 H GLU 50 H GLU 50 15.890 -12.102 -7.392 229 HA GLU 50 HA GLU 50 17.082 -10.353 -9.121 230 HB2 GLU 50 HB2 GLU 50 17.647 -12.794 -8.756 231 HB3 GLU 50 HB3 GLU 50 16.260 -13.225 -9.737 232 HG2 GLU 50 HG2 GLU 50 18.267 -13.244 -11.142 233 HG3 GLU 50 HG3 GLU 50 17.222 -11.935 -11.658 234 HE2 GLU 50 HE2 GLU 50 19.920 -11.775 -12.174 235 H LEU 51 H LEU 51 14.144 -12.416 -9.737 236 HA LEU 51 HA LEU 51 13.576 -11.296 -12.222 237 HB2 LEU 51 HB2 LEU 51 11.690 -12.564 -10.232 238 HB3 LEU 51 HB3 LEU 51 11.378 -12.317 -11.939 239 HG LEU 51 HG LEU 51 13.745 -13.955 -11.056 240 HD11 LEU 51 HD11 LEU 51 10.951 -15.063 -11.431 241 HD12 LEU 51 HD12 LEU 51 12.428 -15.965 -11.015 242 HD13 LEU 51 HD13 LEU 51 11.737 -14.804 -9.855 243 HD21 LEU 51 HD21 LEU 51 13.996 -14.356 -13.224 244 HD22 LEU 51 HD22 LEU 51 12.301 -14.876 -13.383 245 HD23 LEU 51 HD23 LEU 51 12.722 -13.154 -13.541 246 H ALA 52 H ALA 52 12.814 -10.276 -8.886 247 HA ALA 52 HA ALA 52 10.843 -8.404 -9.534 248 HB1 ALA 52 HB1 ALA 52 12.614 -9.071 -7.243 249 HB2 ALA 52 HB2 ALA 52 12.018 -7.395 -7.286 250 HB3 ALA 52 HB3 ALA 52 10.864 -8.750 -7.282 251 H ARG 53 H ARG 53 14.442 -8.201 -9.335 252 HA ARG 53 HA ARG 53 14.485 -5.445 -9.790 253 HB2 ARG 53 HB2 ARG 53 16.347 -6.929 -8.798 254 HB3 ARG 53 HB3 ARG 53 16.707 -7.442 -10.434 255 HG2 ARG 53 HG2 ARG 53 16.529 -4.479 -9.937 256 HG3 ARG 53 HG3 ARG 53 17.921 -5.314 -9.278 257 HD2 ARG 53 HD2 ARG 53 17.940 -6.393 -11.778 258 HD3 ARG 53 HD3 ARG 53 17.154 -4.872 -12.151 259 HE ARG 53 HE ARG 53 19.940 -5.240 -11.387 260 HH11 ARG 53 HH22 ARG 53 17.263 -2.958 -11.322 261 HH12 ARG 53 HH21 ARG 53 18.287 -1.563 -11.234 262 HH21 ARG 53 HH12 ARG 53 21.292 -3.401 -11.272 263 HH22 ARG 53 HH11 ARG 53 20.594 -1.817 -11.206 264 H GLU 54 H GLU 54 14.246 -8.309 -11.852 265 HA GLU 54 HA GLU 54 15.201 -7.118 -14.196 266 HB2 GLU 54 HB2 GLU 54 13.489 -9.547 -13.593 267 HB3 GLU 54 HB3 GLU 54 13.782 -9.060 -15.251 268 HG2 GLU 54 HG2 GLU 54 16.324 -8.995 -14.525 269 HG3 GLU 54 HG3 GLU 54 15.794 -9.975 -13.172 270 HE2 GLU 54 HE2 GLU 54 15.575 -12.709 -14.453 271 H LYS 55 H LYS 55 11.841 -7.747 -12.958 272 HA LYS 55 HA LYS 55 10.640 -6.339 -15.110 273 HB2 LYS 55 HB2 LYS 55 9.443 -8.121 -14.030 274 HB3 LYS 55 HB3 LYS 55 9.595 -7.361 -12.458 275 HG2 LYS 55 HG2 LYS 55 7.401 -6.777 -13.130 276 HG3 LYS 55 HG3 LYS 55 8.328 -5.338 -13.503 277 HD2 LYS 55 HD2 LYS 55 8.368 -5.816 -15.845 278 HD3 LYS 55 HD3 LYS 55 7.944 -7.499 -15.602 279 HE2 LYS 55 HE2 LYS 55 5.672 -6.828 -14.818 280 HE3 LYS 55 HE3 LYS 55 6.092 -5.139 -15.014 281 HZ1 LYS 55 HZ1 LYS 55 5.588 -5.304 -17.134 282 HZ2 LYS 55 HZ2 LYS 55 6.672 -6.502 -17.375 283 HZ3 LYS 55 HZ3 LYS 55 5.141 -6.862 -16.936 284 H PHE 56 H PHE 56 11.725 -5.536 -11.792 285 HA PHE 56 HA PHE 56 10.454 -3.064 -11.609 286 HB2 PHE 56 HB2 PHE 56 11.524 -4.279 -9.718 287 HB3 PHE 56 HB3 PHE 56 13.080 -4.238 -10.523 288 HD1 PHE 56 HD2 PHE 56 13.979 -1.806 -11.059 289 HD2 PHE 56 HD1 PHE 56 11.087 -2.704 -8.086 290 HE1 PHE 56 HE2 PHE 56 14.539 0.332 -9.868 291 HE2 PHE 56 HE1 PHE 56 11.647 -0.566 -6.895 292 HZ PHE 56 HZ PHE 56 13.366 0.926 -7.801 293 H GLU 57 H GLU 57 13.816 -3.928 -12.687 294 HA GLU 57 HA GLU 57 14.504 -1.289 -13.248 295 HB2 GLU 57 HB2 GLU 57 16.525 -2.173 -14.051 296 HB3 GLU 57 HB3 GLU 57 15.995 -3.413 -12.932 297 HG2 GLU 57 HG2 GLU 57 15.009 -4.712 -14.820 298 HG3 GLU 57 HG3 GLU 57 15.501 -3.464 -15.947 299 HE2 GLU 57 HE2 GLU 57 18.527 -4.101 -13.969 300 H LYS 58 H LYS 58 13.071 -3.940 -15.213 301 HA LYS 58 HA LYS 58 13.149 -2.332 -17.601 302 HB2 LYS 58 HB2 LYS 58 11.890 -5.037 -17.054 303 HB3 LYS 58 HB3 LYS 58 12.042 -4.281 -18.627 304 HG2 LYS 58 HG2 LYS 58 14.544 -4.222 -18.332 305 HG3 LYS 58 HG3 LYS 58 14.365 -5.039 -16.792 306 HD2 LYS 58 HD2 LYS 58 13.085 -6.295 -19.221 307 HD3 LYS 58 HD3 LYS 58 14.826 -6.405 -19.058 308 HE2 LYS 58 HE2 LYS 58 14.195 -8.327 -17.899 309 HE3 LYS 58 HE3 LYS 58 14.251 -7.184 -16.572 310 HZ1 LYS 58 HZ1 LYS 58 11.747 -6.995 -17.717 311 HZ2 LYS 58 HZ2 LYS 58 12.055 -8.588 -17.537 312 HZ3 LYS 58 HZ3 LYS 58 12.130 -7.591 -16.246 313 H GLY 59 H GLY 59 11.444 -2.015 -14.831 314 HA2 GLY 59 HA2 GLY 59 9.306 -0.606 -16.148 315 HA3 GLY 59 HA3 GLY 59 8.774 -2.056 -15.319 316 H GLU 60 H GLU 60 10.507 1.071 -14.893 317 HA GLU 60 HA GLU 60 10.902 0.942 -12.196 318 HB2 GLU 60 HB2 GLU 60 11.135 3.352 -12.272 319 HB3 GLU 60 HB3 GLU 60 11.769 2.705 -13.772 320 HG2 GLU 60 HG2 GLU 60 9.619 3.224 -14.923 321 HG3 GLU 60 HG3 GLU 60 8.949 3.830 -13.422 322 HE2 GLU 60 HE2 GLU 60 12.134 5.706 -14.923 323 H VAL 61 H VAL 61 9.644 1.259 -10.356 324 HA VAL 61 HA VAL 61 6.819 1.098 -10.725 325 HB VAL 61 HB VAL 61 6.739 0.837 -8.361 326 HG11 VAL 61 HG11 VAL 61 9.329 -0.495 -9.190 327 HG12 VAL 61 HG12 VAL 61 8.087 -1.092 -8.063 328 HG13 VAL 61 HG13 VAL 61 7.740 -1.008 -9.807 329 HG21 VAL 61 HG21 VAL 61 9.003 2.583 -8.369 330 HG22 VAL 61 HG22 VAL 61 8.040 2.011 -6.986 331 HG23 VAL 61 HG23 VAL 61 9.458 1.082 -7.528 332 H SER 62 H SER 62 5.262 2.613 -9.674 333 HA SER 62 HA SER 62 5.841 5.223 -10.498 334 HB2 SER 62 HB2 SER 62 3.564 4.400 -10.594 335 HB3 SER 62 HB3 SER 62 3.560 4.016 -8.884 336 HG SER 62 HG SER 62 4.092 6.719 -9.631 337 H ASN 63 H ASN 63 5.736 3.535 -7.320 338 HA ASN 63 HA ASN 63 5.887 5.758 -5.718 339 HB2 ASN 63 HB2 ASN 63 7.130 2.989 -5.290 340 HB3 ASN 63 HB3 ASN 63 6.880 4.169 -4.019 341 HD21 ASN 63 HD21 ASN 63 4.632 5.020 -3.795 342 HD22 ASN 63 HD22 ASN 63 3.314 3.906 -3.948 343 H PHE 64 H PHE 64 8.196 4.303 -7.900 344 HA PHE 64 HA PHE 64 10.335 4.627 -8.333 345 HB2 PHE 64 HB2 PHE 64 9.448 6.952 -8.652 346 HB3 PHE 64 HB3 PHE 64 9.620 7.275 -6.938 347 HD1 PHE 64 HD2 PHE 64 12.155 5.474 -8.918 348 HD2 PHE 64 HD1 PHE 64 11.042 9.177 -7.168 349 HE1 PHE 64 HE2 PHE 64 14.470 6.359 -9.317 350 HE2 PHE 64 HE1 PHE 64 13.357 10.061 -7.568 351 HZ PHE 64 HZ PHE 64 15.043 8.642 -8.637 352 H ASP 65 H ASP 65 9.707 3.330 -5.762 353 HA ASP 65 HA ASP 65 11.310 4.379 -3.751 354 HB2 ASP 65 HB2 ASP 65 9.477 2.622 -3.530 355 HB3 ASP 65 HB3 ASP 65 10.575 1.455 -4.238 356 HD2 ASP 65 HD2 ASP 65 10.764 3.273 -0.854 357 H ASP 66 H ASP 66 13.262 2.937 -2.834 358 HA ASP 66 HA ASP 66 15.249 2.976 -4.774 359 HB2 ASP 66 HB2 ASP 66 15.037 1.880 -1.953 360 HB3 ASP 66 HB3 ASP 66 16.485 1.577 -2.892 361 HD2 ASP 66 HD2 ASP 66 17.658 3.233 -3.480 362 H VAL 67 H VAL 67 16.275 1.219 -5.912 363 HA VAL 67 HA VAL 67 14.681 -0.952 -6.580 364 HB VAL 67 HB VAL 67 16.443 -0.009 -7.978 365 HG11 VAL 67 HG11 VAL 67 18.077 0.432 -6.146 366 HG12 VAL 67 HG12 VAL 67 18.421 -1.313 -6.080 367 HG13 VAL 67 HG13 VAL 67 18.794 -0.387 -7.554 368 HG21 VAL 67 HG21 VAL 67 15.986 -2.810 -7.489 369 HG22 VAL 67 HG22 VAL 67 16.327 -1.975 -9.023 370 HG23 VAL 67 HG23 VAL 67 17.669 -2.562 -8.012 371 H GLU 68 H GLU 68 17.584 -0.764 -4.405 372 HA GLU 68 HA GLU 68 17.543 -3.422 -3.698 373 HB2 GLU 68 HB2 GLU 68 19.377 -1.706 -3.274 374 HB3 GLU 68 HB3 GLU 68 18.428 -1.102 -1.929 375 HG2 GLU 68 HG2 GLU 68 18.476 -3.366 -0.871 376 HG3 GLU 68 HG3 GLU 68 19.408 -3.982 -2.221 377 HE2 GLU 68 HE2 GLU 68 20.777 -0.936 -0.165 378 H GLU 69 H GLU 69 15.644 -0.641 -2.533 379 HA GLU 69 HA GLU 69 14.726 -1.938 -0.211 380 HB2 GLU 69 HB2 GLU 69 14.764 0.538 -0.497 381 HB3 GLU 69 HB3 GLU 69 13.546 0.417 -1.751 382 HG2 GLU 69 HG2 GLU 69 12.521 1.007 0.431 383 HG3 GLU 69 HG3 GLU 69 11.926 -0.537 -0.145 384 HE2 GLU 69 HE2 GLU 69 14.298 -0.031 2.968 385 H LEU 70 H LEU 70 13.570 -1.631 -3.595 386 HA LEU 70 HA LEU 70 11.026 -2.749 -3.111 387 HB2 LEU 70 HB2 LEU 70 11.958 -1.335 -5.084 388 HB3 LEU 70 HB3 LEU 70 12.469 -2.879 -5.738 389 HG LEU 70 HG LEU 70 10.216 -1.902 -6.497 390 HD11 LEU 70 HD11 LEU 70 9.578 -4.623 -5.625 391 HD12 LEU 70 HD12 LEU 70 9.755 -3.948 -7.262 392 HD13 LEU 70 HD13 LEU 70 11.194 -4.473 -6.356 393 HD21 LEU 70 HD21 LEU 70 9.160 -3.164 -3.969 394 HD22 LEU 70 HD22 LEU 70 9.527 -1.426 -4.078 395 HD23 LEU 70 HD23 LEU 70 8.309 -2.148 -5.157 396 H VAL 71 H VAL 71 14.106 -4.135 -4.447 397 HA VAL 71 HA VAL 71 13.195 -6.715 -4.754 398 HB VAL 71 HB VAL 71 15.594 -7.325 -4.564 399 HG11 VAL 71 HG11 VAL 71 16.361 -5.830 -6.453 400 HG12 VAL 71 HG12 VAL 71 14.799 -6.643 -6.711 401 HG13 VAL 71 HG13 VAL 71 14.842 -4.923 -6.255 402 HG21 VAL 71 HG21 VAL 71 16.438 -5.916 -2.862 403 HG22 VAL 71 HG22 VAL 71 17.204 -5.348 -4.365 404 HG23 VAL 71 HG23 VAL 71 15.838 -4.445 -3.666 405 H LYS 72 H LYS 72 14.524 -5.043 -1.849 406 HA LYS 72 HA LYS 72 14.601 -7.327 -0.232 407 HB2 LYS 72 HB2 LYS 72 15.867 -5.358 0.328 408 HB3 LYS 72 HB3 LYS 72 14.420 -4.373 0.412 409 HG2 LYS 72 HG2 LYS 72 13.605 -6.010 2.261 410 HG3 LYS 72 HG3 LYS 72 15.247 -6.622 2.291 411 HD2 LYS 72 HD2 LYS 72 16.132 -4.634 3.160 412 HD3 LYS 72 HD3 LYS 72 14.875 -3.636 2.457 413 HE2 LYS 72 HE2 LYS 72 13.356 -4.069 4.187 414 HE3 LYS 72 HE3 LYS 72 14.038 -5.643 4.543 415 HZ1 LYS 72 HZ1 LYS 72 15.735 -4.706 5.736 416 HZ2 LYS 72 HZ2 LYS 72 15.629 -3.246 5.012 417 HZ3 LYS 72 HZ3 LYS 72 14.503 -3.699 6.105 418 H LYS 73 H LYS 73 12.022 -4.977 -1.049 419 HA LYS 73 HA LYS 73 10.227 -6.031 0.903 420 HB2 LYS 73 HB2 LYS 73 10.389 -3.669 -0.368 421 HB3 LYS 73 HB3 LYS 73 9.241 -4.459 -1.430 422 HG2 LYS 73 HG2 LYS 73 7.743 -4.949 0.459 423 HG3 LYS 73 HG3 LYS 73 8.924 -4.349 1.606 424 HD2 LYS 73 HD2 LYS 73 8.610 -2.092 0.961 425 HD3 LYS 73 HD3 LYS 73 7.966 -2.522 -0.611 426 HE2 LYS 73 HE2 LYS 73 6.036 -1.854 0.586 427 HE3 LYS 73 HE3 LYS 73 5.979 -3.601 0.698 428 HZ1 LYS 73 HZ1 LYS 73 7.502 -2.816 2.806 429 HZ2 LYS 73 HZ2 LYS 73 6.303 -1.709 2.760 430 HZ3 LYS 73 HZ3 LYS 73 5.943 -3.298 2.867 431 H VAL 74 H VAL 74 11.231 -6.853 -2.360 432 HA VAL 74 HA VAL 74 8.879 -8.230 -3.102 433 HB VAL 74 HB VAL 74 11.751 -8.388 -4.028 434 HG11 VAL 74 HG11 VAL 74 9.512 -9.342 -5.758 435 HG12 VAL 74 HG12 VAL 74 11.209 -9.874 -5.677 436 HG13 VAL 74 HG13 VAL 74 10.048 -10.409 -4.438 437 HG21 VAL 74 HG21 VAL 74 9.698 -7.272 -5.817 438 HG22 VAL 74 HG22 VAL 74 9.937 -6.340 -4.319 439 HG23 VAL 74 HG23 VAL 74 11.316 -6.659 -5.399 440 H VAL 75 H VAL 75 12.116 -9.388 -1.911 441 HA VAL 75 HA VAL 75 11.287 -12.050 -1.652 442 HB VAL 75 HB VAL 75 13.591 -11.489 -1.850 443 HG11 VAL 75 HG11 VAL 75 12.987 -9.321 -0.187 444 HG12 VAL 75 HG12 VAL 75 14.102 -10.326 0.769 445 HG13 VAL 75 HG13 VAL 75 14.583 -9.754 -0.847 446 HG21 VAL 75 HG21 VAL 75 12.629 -13.273 -0.015 447 HG22 VAL 75 HG22 VAL 75 14.342 -13.112 -0.474 448 HG23 VAL 75 HG23 VAL 75 13.732 -12.299 0.988 449 H ALA 76 H ALA 76 11.189 -9.210 0.537 450 HA ALA 76 HA ALA 76 10.637 -10.507 2.905 451 HB1 ALA 76 HB1 ALA 76 10.883 -8.302 3.354 452 HB2 ALA 76 HB2 ALA 76 10.326 -7.818 1.735 453 HB3 ALA 76 HB3 ALA 76 9.141 -8.182 3.012 454 H VAL 77 H VAL 77 8.316 -9.257 0.401 455 HA VAL 77 HA VAL 77 6.045 -10.255 1.705 456 HB VAL 77 HB VAL 77 6.566 -8.594 -0.380 457 HG11 VAL 77 HG11 VAL 77 5.696 -9.481 -2.428 458 HG12 VAL 77 HG12 VAL 77 6.957 -10.599 -1.855 459 HG13 VAL 77 HG13 VAL 77 5.239 -11.011 -1.642 460 HG21 VAL 77 HG21 VAL 77 4.429 -8.013 -0.030 461 HG22 VAL 77 HG22 VAL 77 3.825 -9.620 -0.501 462 HG23 VAL 77 HG23 VAL 77 4.386 -9.332 1.164 463 H CYS 78 H CYS 78 8.294 -11.628 -0.744 464 HA CYS 78 HA CYS 78 6.861 -13.827 -1.480 465 HB2 CYS 78 HB2 CYS 78 9.151 -12.992 -2.312 466 HB3 CYS 78 HB3 CYS 78 9.846 -13.924 -1.001 467 HG CYS 78 HG CYS 78 9.097 -16.217 -1.667 468 H GLU 79 H GLU 79 9.123 -13.392 1.331 469 HA GLU 79 HA GLU 79 8.583 -15.988 2.305 470 HB2 GLU 79 HB2 GLU 79 10.729 -14.943 2.774 471 HB3 GLU 79 HB3 GLU 79 9.959 -13.562 3.528 472 HG2 GLU 79 HG2 GLU 79 8.958 -15.190 5.245 473 HG3 GLU 79 HG3 GLU 79 9.985 -16.433 4.560 474 HE2 GLU 79 HE2 GLU 79 10.820 -13.017 5.820 475 H GLU 80 H GLU 80 7.168 -12.770 2.691 476 HA GLU 80 HA GLU 80 5.885 -13.283 5.125 477 HB2 GLU 80 HB2 GLU 80 6.343 -11.019 3.946 478 HB3 GLU 80 HB3 GLU 80 4.913 -11.350 2.988 479 HG2 GLU 80 HG2 GLU 80 3.497 -11.419 4.965 480 HG3 GLU 80 HG3 GLU 80 4.883 -11.416 6.036 481 HE2 GLU 80 HE2 GLU 80 6.152 -9.264 5.955 482 H LEU 81 H LEU 81 5.327 -14.347 1.861 483 HA LEU 81 HA LEU 81 2.502 -14.773 2.242 484 HB2 LEU 81 HB2 LEU 81 4.425 -15.474 0.023 485 HB3 LEU 81 HB3 LEU 81 2.721 -15.884 0.000 486 HG LEU 81 HG LEU 81 4.061 -13.267 -0.406 487 HD11 LEU 81 HD11 LEU 81 2.909 -13.274 -2.320 488 HD12 LEU 81 HD12 LEU 81 2.569 -14.982 -1.951 489 HD13 LEU 81 HD13 LEU 81 1.387 -13.725 -1.514 490 HD21 LEU 81 HD21 LEU 81 2.830 -12.808 1.651 491 HD22 LEU 81 HD22 LEU 81 2.093 -11.972 0.263 492 HD23 LEU 81 HD23 LEU 81 1.339 -13.446 0.916 493 H GLY 82 H GLY 82 5.479 -16.353 3.030 494 HA2 GLY 82 HA2 GLY 82 5.979 -18.530 3.517 495 HA3 GLY 82 HA3 GLY 82 4.628 -18.291 4.607 496 H ALA 83 H ALA 83 4.842 -18.679 0.995 497 HA ALA 83 HA ALA 83 3.268 -21.128 1.263 498 HB1 ALA 83 HB1 ALA 83 2.537 -19.185 -0.903 499 HB2 ALA 83 HB2 ALA 83 1.529 -20.387 -0.062 500 HB3 ALA 83 HB3 ALA 83 1.953 -18.859 0.747 501 H GLU 84 H GLU 84 4.036 -22.742 -0.037 502 HA GLU 84 HA GLU 84 5.685 -21.912 -2.281 503 HB2 GLU 84 HB2 GLU 84 6.459 -23.775 -0.023 504 HB3 GLU 84 HB3 GLU 84 7.158 -23.997 -1.614 505 HG2 GLU 84 HG2 GLU 84 7.736 -21.454 -1.522 506 HG3 GLU 84 HG3 GLU 84 7.366 -21.554 0.188 507 HE2 GLU 84 HE2 GLU 84 9.792 -24.065 0.689 508 H GLU 85 H GLU 85 2.873 -22.861 -2.018 509 HA GLU 85 HA GLU 85 2.617 -24.392 -4.151 510 HB2 GLU 85 HB2 GLU 85 3.711 -26.039 -2.002 511 HB3 GLU 85 HB3 GLU 85 2.152 -26.658 -2.511 512 HG2 GLU 85 HG2 GLU 85 4.475 -26.018 -4.390 513 HG3 GLU 85 HG3 GLU 85 4.049 -27.625 -3.836 514 HE2 GLU 85 HE2 GLU 85 2.720 -26.776 -7.091 515 H CYS 86 H CYS 86 0.394 -25.399 -4.356 516 HA CYS 86 HA CYS 86 -1.400 -23.965 -2.591 517 HB2 CYS 86 HB2 CYS 86 -1.764 -23.684 -4.978 518 HB3 CYS 86 HB3 CYS 86 -1.881 -25.417 -5.212 519 H PHE 87 H PHE 87 -0.940 -25.401 -0.714 520 HA PHE 87 HA PHE 87 -1.007 -28.058 -0.559 521 HB2 PHE 87 HB2 PHE 87 -0.838 -26.320 1.304 522 HB3 PHE 87 HB3 PHE 87 -2.565 -26.049 1.179 523 HD1 PHE 87 HD1 PHE 87 -0.046 -28.659 1.974 524 HD2 PHE 87 HD2 PHE 87 -4.069 -27.374 2.394 525 HE1 PHE 87 HE1 PHE 87 -0.454 -30.484 3.647 526 HE2 PHE 87 HE2 PHE 87 -4.477 -29.200 4.068 527 HZ PHE 87 HZ PHE 87 -2.665 -30.733 4.674 528 H SER 88 H SER 88 -3.950 -25.936 -0.664 529 HA SER 88 HA SER 88 -5.830 -27.842 -0.322 530 HB2 SER 88 HB2 SER 88 -5.686 -25.165 -1.515 531 HB3 SER 88 HB3 SER 88 -6.896 -26.149 -2.313 532 HG SER 88 HG SER 88 -7.361 -26.673 0.200 533 H CYS 89 H CYS 89 -4.038 -26.956 -3.322 534 HA CYS 89 HA CYS 89 -5.525 -28.499 -5.083 535 HB2 CYS 89 HB2 CYS 89 -2.993 -27.048 -5.114 536 HB3 CYS 89 HB3 CYS 89 -2.906 -28.517 -6.067 537 H ASP 90 H ASP 90 -2.988 -29.253 -2.702 538 HA ASP 90 HA ASP 90 -2.711 -31.915 -3.763 539 HB2 ASP 90 HB2 ASP 90 -1.400 -30.387 -1.477 540 HB3 ASP 90 HB3 ASP 90 -1.128 -32.104 -1.701 541 HD2 ASP 90 HD2 ASP 90 -0.379 -31.753 -4.872 542 H PHE 91 H PHE 91 -4.747 -30.160 -1.663 543 HA PHE 91 HA PHE 91 -5.080 -32.259 0.291 544 HB2 PHE 91 HB2 PHE 91 -5.201 -29.673 0.624 545 HB3 PHE 91 HB3 PHE 91 -6.707 -29.711 -0.272 546 HD1 PHE 91 HD2 PHE 91 -5.305 -31.865 2.447 547 HD2 PHE 91 HD1 PHE 91 -8.483 -29.370 1.148 548 HE1 PHE 91 HE2 PHE 91 -6.555 -32.352 4.568 549 HE2 PHE 91 HE1 PHE 91 -9.733 -29.858 3.269 550 HZ PHE 91 HZ PHE 91 -8.754 -31.343 4.954 551 H ASP 92 H ASP 92 -6.117 -34.080 -0.443 552 HA ASP 92 HA ASP 92 -7.817 -34.178 -2.561 553 HB2 ASP 92 HB2 ASP 92 -7.810 -35.891 -0.031 554 HB3 ASP 92 HB3 ASP 92 -8.650 -36.327 -1.506 555 HD2 ASP 92 HD2 ASP 92 -5.625 -35.284 -2.775 Start of MODEL 9 1 H SER 16 H SER 16 -3.943 -2.242 -7.584 2 HA SER 16 HA SER 16 -2.579 -4.440 -6.234 3 HB2 SER 16 HB2 SER 16 -2.979 -4.742 -8.724 4 HB3 SER 16 HB3 SER 16 -1.972 -3.337 -9.011 5 HG SER 16 HG SER 16 -0.448 -4.781 -7.457 6 H GLU 17 H GLU 17 -0.413 -4.041 -5.491 7 HA GLU 17 HA GLU 17 0.221 -1.199 -5.435 8 HB2 GLU 17 HB2 GLU 17 -0.228 -2.392 -3.239 9 HB3 GLU 17 HB3 GLU 17 1.191 -3.377 -3.535 10 HG2 GLU 17 HG2 GLU 17 2.672 -1.494 -3.404 11 HG3 GLU 17 HG3 GLU 17 1.365 -0.342 -3.593 12 HE2 GLU 17 HE2 GLU 17 2.047 -0.340 -0.065 13 H ALA 18 H ALA 18 2.597 -0.631 -5.462 14 HA ALA 18 HA ALA 18 3.848 -1.663 -7.683 15 HB1 ALA 18 HB1 ALA 18 5.835 -0.659 -5.905 16 HB2 ALA 18 HB2 ALA 18 5.031 0.194 -7.244 17 HB3 ALA 18 HB3 ALA 18 4.348 0.270 -5.602 18 H VAL 19 H VAL 19 4.453 -2.400 -4.178 19 HA VAL 19 HA VAL 19 6.493 -4.210 -4.558 20 HB VAL 19 HB VAL 19 6.196 -3.569 -2.389 21 HG11 VAL 19 HG11 VAL 19 3.642 -4.074 -1.455 22 HG12 VAL 19 HG12 VAL 19 4.274 -2.490 -1.965 23 HG13 VAL 19 HG13 VAL 19 3.354 -3.493 -3.112 24 HG21 VAL 19 HG21 VAL 19 6.515 -5.948 -2.324 25 HG22 VAL 19 HG22 VAL 19 5.331 -5.523 -1.064 26 HG23 VAL 19 HG23 VAL 19 4.781 -6.245 -2.595 27 H TYR 20 H TYR 20 2.930 -4.868 -4.253 28 HA TYR 20 HA TYR 20 3.086 -7.595 -4.697 29 HB2 TYR 20 HB2 TYR 20 1.131 -5.302 -4.960 30 HB3 TYR 20 HB3 TYR 20 0.674 -6.765 -5.811 31 HD1 TYR 20 HD2 TYR 20 2.643 -7.232 -2.794 32 HD2 TYR 20 HD1 TYR 20 -1.338 -6.813 -4.306 33 HE1 TYR 20 HE2 TYR 20 1.713 -8.200 -0.635 34 HE2 TYR 20 HE1 TYR 20 -2.254 -7.783 -2.142 35 HH TYR 20 HH TYR 20 -0.098 -9.094 0.301 36 H ILE 21 H ILE 21 3.358 -4.875 -6.946 37 HA ILE 21 HA ILE 21 2.725 -6.383 -9.267 38 HB ILE 21 HB ILE 21 3.489 -3.669 -8.565 39 HG12 ILE 21 HG12 ILE 21 1.270 -4.371 -9.377 40 HG13 ILE 21 HG13 ILE 21 1.982 -3.111 -10.365 41 HG21 ILE 21 HG21 ILE 21 5.519 -4.008 -9.740 42 HG22 ILE 21 HG22 ILE 21 4.703 -4.908 -11.041 43 HG23 ILE 21 HG23 ILE 21 4.423 -3.160 -10.857 44 HD11 ILE 21 HD11 ILE 21 2.858 -5.619 -11.454 45 HD12 ILE 21 HD12 ILE 21 1.104 -5.735 -11.173 46 HD13 ILE 21 HD13 ILE 21 1.758 -4.428 -12.189 47 H ALA 22 H ALA 22 5.707 -5.594 -7.434 48 HA ALA 22 HA ALA 22 7.450 -6.674 -9.393 49 HB1 ALA 22 HB1 ALA 22 7.967 -4.965 -7.562 50 HB2 ALA 22 HB2 ALA 22 7.975 -6.331 -6.421 51 HB3 ALA 22 HB3 ALA 22 9.149 -6.282 -7.758 52 H ILE 23 H ILE 23 5.980 -7.896 -6.318 53 HA ILE 23 HA ILE 23 7.253 -10.412 -6.495 54 HB ILE 23 HB ILE 23 5.906 -11.022 -4.651 55 HG12 ILE 23 HG12 ILE 23 4.092 -9.120 -4.007 56 HG13 ILE 23 HG13 ILE 23 4.006 -9.020 -5.755 57 HG21 ILE 23 HG21 ILE 23 7.305 -8.506 -4.746 58 HG22 ILE 23 HG22 ILE 23 5.973 -8.423 -3.568 59 HG23 ILE 23 HG23 ILE 23 7.204 -9.702 -3.431 60 HD11 ILE 23 HD11 ILE 23 2.406 -10.695 -4.721 61 HD12 ILE 23 HD12 ILE 23 3.489 -11.388 -5.952 62 HD13 ILE 23 HD13 ILE 23 3.822 -11.652 -4.223 63 H GLU 24 H GLU 24 4.492 -8.942 -8.067 64 HA GLU 24 HA GLU 24 3.523 -11.564 -8.835 65 HB2 GLU 24 HB2 GLU 24 2.350 -8.770 -9.154 66 HB3 GLU 24 HB3 GLU 24 1.614 -10.200 -9.850 67 HG2 GLU 24 HG2 GLU 24 1.188 -11.173 -7.697 68 HG3 GLU 24 HG3 GLU 24 2.300 -10.085 -6.889 69 HE2 GLU 24 HE2 GLU 24 -0.569 -10.543 -6.588 70 H ALA 25 H ALA 25 5.671 -9.128 -9.874 71 HA ALA 25 HA ALA 25 5.215 -8.891 -12.570 72 HB1 ALA 25 HB1 ALA 25 7.387 -8.038 -12.659 73 HB2 ALA 25 HB2 ALA 25 6.987 -7.839 -10.936 74 HB3 ALA 25 HB3 ALA 25 8.004 -9.202 -11.461 75 H GLY 26 H GLY 26 6.324 -11.662 -10.683 76 HA2 GLY 26 HA2 GLY 26 5.805 -13.737 -12.070 77 HA3 GLY 26 HA3 GLY 26 7.013 -13.098 -13.167 78 H THR 27 H THR 27 7.011 -12.920 -9.557 79 HA THR 27 HA THR 27 9.614 -14.258 -9.598 80 HB THR 27 HB THR 27 10.098 -12.877 -7.808 81 HG1 THR 27 HG1 THR 27 8.735 -13.079 -6.046 82 HG21 THR 27 HG21 THR 27 8.736 -11.381 -9.504 83 HG22 THR 27 HG22 THR 27 7.430 -11.498 -8.300 84 HG23 THR 27 HG23 THR 27 8.990 -10.766 -7.853 85 H LEU 28 H LEU 28 6.349 -14.470 -8.080 86 HA LEU 28 HA LEU 28 7.048 -17.246 -7.419 87 HB2 LEU 28 HB2 LEU 28 5.199 -16.765 -5.585 88 HB3 LEU 28 HB3 LEU 28 6.909 -16.497 -5.312 89 HG LEU 28 HG LEU 28 6.322 -14.058 -6.198 90 HD11 LEU 28 HD11 LEU 28 3.853 -14.069 -4.746 91 HD12 LEU 28 HD12 LEU 28 4.175 -13.558 -6.420 92 HD13 LEU 28 HD13 LEU 28 3.754 -15.252 -6.072 93 HD21 LEU 28 HD21 LEU 28 5.452 -14.614 -3.389 94 HD22 LEU 28 HD22 LEU 28 7.119 -15.005 -3.873 95 HD23 LEU 28 HD23 LEU 28 6.514 -13.338 -4.030 96 H ALA 29 H ALA 29 4.830 -18.511 -7.008 97 HA ALA 29 HA ALA 29 2.885 -17.634 -9.013 98 HB1 ALA 29 HB1 ALA 29 4.153 -19.162 -10.285 99 HB2 ALA 29 HB2 ALA 29 4.411 -20.246 -8.897 100 HB3 ALA 29 HB3 ALA 29 2.807 -20.148 -9.663 101 H GLU 30 H GLU 30 0.739 -18.612 -8.696 102 HA GLU 30 HA GLU 30 0.389 -20.059 -6.246 103 HB2 GLU 30 HB2 GLU 30 -1.395 -18.394 -5.466 104 HB3 GLU 30 HB3 GLU 30 0.271 -17.881 -5.282 105 HG2 GLU 30 HG2 GLU 30 -1.369 -17.165 -7.749 106 HG3 GLU 30 HG3 GLU 30 -1.385 -16.169 -6.307 107 HE2 GLU 30 HE2 GLU 30 1.016 -15.440 -8.968 108 H CYS 31 H CYS 31 -1.539 -21.303 -6.247 109 HA CYS 31 HA CYS 31 -2.565 -21.963 -8.714 110 HB2 CYS 31 HB2 CYS 31 -2.765 -22.958 -6.133 111 HB3 CYS 31 HB3 CYS 31 -4.412 -22.478 -6.489 112 H GLU 32 H GLU 32 -3.913 -20.813 -10.051 113 HA GLU 32 HA GLU 32 -5.216 -18.509 -9.000 114 HB2 GLU 32 HB2 GLU 32 -5.806 -18.043 -11.325 115 HB3 GLU 32 HB3 GLU 32 -4.125 -18.530 -11.244 116 HG2 GLU 32 HG2 GLU 32 -4.811 -19.890 -12.995 117 HG3 GLU 32 HG3 GLU 32 -5.149 -20.973 -11.659 118 HE2 GLU 32 HE2 GLU 32 -6.550 -21.798 -13.095 119 H VAL 33 H VAL 33 -5.953 -21.709 -8.772 120 HA VAL 33 HA VAL 33 -8.820 -21.279 -9.228 121 HB VAL 33 HB VAL 33 -8.324 -23.987 -8.726 122 HG11 VAL 33 HG11 VAL 33 -9.025 -24.291 -11.040 123 HG12 VAL 33 HG12 VAL 33 -9.989 -23.007 -10.273 124 HG13 VAL 33 HG13 VAL 33 -8.675 -22.583 -11.397 125 HG21 VAL 33 HG21 VAL 33 -5.926 -23.614 -9.059 126 HG22 VAL 33 HG22 VAL 33 -6.607 -24.589 -10.383 127 HG23 VAL 33 HG23 VAL 33 -6.250 -22.864 -10.640 128 H HIS 34 H HIS 34 -6.354 -21.392 -6.854 129 HA HIS 34 HA HIS 34 -8.404 -21.851 -4.816 130 HB2 HIS 34 HB2 HIS 34 -5.555 -22.577 -4.264 131 HB3 HIS 34 HB3 HIS 34 -7.027 -23.196 -3.543 132 HD1 HIS 34 HD1 HIS 34 -5.990 -23.137 -7.240 133 HD2 HIS 34 HD2 HIS 34 -7.021 -25.846 -4.207 134 HE1 HIS 34 HE1 HIS 34 -6.049 -25.444 -8.330 135 H GLU 35 H GLU 35 -8.819 -19.639 -4.502 136 HA GLU 35 HA GLU 35 -6.779 -17.751 -4.365 137 HB2 GLU 35 HB2 GLU 35 -9.696 -17.830 -3.602 138 HB3 GLU 35 HB3 GLU 35 -8.729 -16.477 -3.049 139 HG2 GLU 35 HG2 GLU 35 -9.794 -15.965 -5.228 140 HG3 GLU 35 HG3 GLU 35 -8.048 -15.966 -5.374 141 HE2 GLU 35 HE2 GLU 35 -10.313 -18.382 -7.443 142 H GLY 36 H GLY 36 -5.394 -17.174 -2.729 143 HA2 GLY 36 HA2 GLY 36 -5.091 -16.702 -0.394 144 HA3 GLY 36 HA3 GLY 36 -6.042 -18.122 -0.006 145 H THR 37 H THR 37 -4.809 -19.794 -2.178 146 HA THR 37 HA THR 37 -2.441 -20.544 -0.681 147 HB THR 37 HB THR 37 -2.824 -22.243 -2.917 148 HG1 THR 37 HG1 THR 37 -5.374 -22.043 -1.725 149 HG21 THR 37 HG21 THR 37 -4.207 -23.612 -1.142 150 HG22 THR 37 HG22 THR 37 -2.487 -23.303 -0.804 151 HG23 THR 37 HG23 THR 37 -3.741 -22.316 -0.014 152 H TYR 38 H TYR 38 -0.342 -20.361 -1.304 153 HA TYR 38 HA TYR 38 0.164 -19.411 -4.019 154 HB2 TYR 38 HB2 TYR 38 0.757 -18.128 -1.307 155 HB3 TYR 38 HB3 TYR 38 1.874 -17.843 -2.627 156 HD1 TYR 38 HD1 TYR 38 -1.693 -17.455 -1.616 157 HD2 TYR 38 HD2 TYR 38 1.413 -16.213 -4.283 158 HE1 TYR 38 HE1 TYR 38 -3.167 -15.566 -2.465 159 HE2 TYR 38 HE2 TYR 38 -0.071 -14.328 -5.123 160 HH TYR 38 HH TYR 38 -3.397 -14.201 -4.412 161 H PHE 39 H PHE 39 2.735 -19.222 -4.258 162 HA PHE 39 HA PHE 39 4.323 -20.833 -2.617 163 HB2 PHE 39 HB2 PHE 39 4.429 -22.856 -3.973 164 HB3 PHE 39 HB3 PHE 39 2.720 -22.527 -3.769 165 HD1 PHE 39 HD1 PHE 39 1.385 -21.676 -5.642 166 HD2 PHE 39 HD2 PHE 39 5.489 -22.639 -6.132 167 HE1 PHE 39 HE1 PHE 39 1.087 -21.676 -8.134 168 HE2 PHE 39 HE2 PHE 39 5.191 -22.639 -8.624 169 HZ PHE 39 HZ PHE 39 2.994 -22.157 -9.595 170 H SER 40 H SER 40 6.180 -19.682 -2.864 171 HA SER 40 HA SER 40 6.697 -18.461 -5.400 172 HB2 SER 40 HB2 SER 40 8.677 -17.479 -4.199 173 HB3 SER 40 HB3 SER 40 7.146 -17.142 -3.415 174 HG SER 40 HG SER 40 9.336 -18.573 -2.478 175 H ASP 41 H ASP 41 8.724 -18.794 -6.617 176 HA ASP 41 HA ASP 41 9.276 -21.300 -7.255 177 HB2 ASP 41 HB2 ASP 41 10.566 -18.721 -7.572 178 HB3 ASP 41 HB3 ASP 41 11.806 -19.934 -7.322 179 HD2 ASP 41 HD2 ASP 41 12.298 -20.555 -10.019 180 H SER 42 H SER 42 9.548 -22.860 -5.581 181 HA SER 42 HA SER 42 11.146 -22.325 -3.335 182 HB2 SER 42 HB2 SER 42 9.382 -23.907 -3.058 183 HB3 SER 42 HB3 SER 42 9.849 -24.816 -4.481 184 HG SER 42 HG SER 42 10.547 -25.978 -2.658 185 H GLY 43 H GLY 43 13.305 -22.894 -2.892 186 HA2 GLY 43 HA2 GLY 43 15.209 -24.262 -3.334 187 HA3 GLY 43 HA3 GLY 43 14.760 -24.321 -5.027 188 H ASP 44 H ASP 44 13.991 -21.394 -5.082 189 HA ASP 44 HA ASP 44 16.540 -20.151 -4.556 190 HB2 ASP 44 HB2 ASP 44 16.113 -19.061 -6.990 191 HB3 ASP 44 HB3 ASP 44 17.088 -20.500 -6.769 192 HD2 ASP 44 HD2 ASP 44 13.366 -21.435 -7.574 193 H ILE 45 H ILE 45 15.152 -19.045 -2.920 194 HA ILE 45 HA ILE 45 12.842 -17.618 -3.776 195 HB ILE 45 HB ILE 45 14.324 -18.106 -1.279 196 HG12 ILE 45 HG12 ILE 45 11.617 -18.396 -2.386 197 HG13 ILE 45 HG13 ILE 45 12.469 -19.376 -1.209 198 HG21 ILE 45 HG21 ILE 45 14.418 -15.661 -1.334 199 HG22 ILE 45 HG22 ILE 45 12.658 -15.594 -1.597 200 HG23 ILE 45 HG23 ILE 45 13.307 -16.243 -0.071 201 HD11 ILE 45 HD11 ILE 45 10.502 -18.266 -0.186 202 HD12 ILE 45 HD12 ILE 45 12.012 -17.687 0.559 203 HD13 ILE 45 HD13 ILE 45 11.164 -16.675 -0.634 204 H SER 46 H SER 46 16.306 -17.031 -3.697 205 HA SER 46 HA SER 46 16.100 -14.225 -3.664 206 HB2 SER 46 HB2 SER 46 18.422 -15.800 -4.826 207 HB3 SER 46 HB3 SER 46 18.466 -14.230 -4.049 208 HG SER 46 HG SER 46 17.639 -15.461 -2.069 209 H GLU 47 H GLU 47 15.810 -16.748 -6.107 210 HA GLU 47 HA GLU 47 16.533 -15.314 -8.343 211 HB2 GLU 47 HB2 GLU 47 14.871 -17.727 -7.761 212 HB3 GLU 47 HB3 GLU 47 14.583 -16.969 -9.314 213 HG2 GLU 47 HG2 GLU 47 17.143 -16.996 -9.658 214 HG3 GLU 47 HG3 GLU 47 17.235 -18.024 -8.242 215 HE2 GLU 47 HE2 GLU 47 18.011 -19.208 -10.554 216 H ALA 48 H ALA 48 13.487 -15.403 -6.458 217 HA ALA 48 HA ALA 48 11.913 -14.036 -8.345 218 HB1 ALA 48 HB1 ALA 48 10.422 -14.770 -6.831 219 HB2 ALA 48 HB2 ALA 48 11.711 -15.085 -5.646 220 HB3 ALA 48 HB3 ALA 48 10.964 -13.472 -5.741 221 H GLU 49 H GLU 49 14.267 -13.030 -5.868 222 HA GLU 49 HA GLU 49 13.450 -10.338 -5.867 223 HB2 GLU 49 HB2 GLU 49 14.678 -10.622 -3.973 224 HB3 GLU 49 HB3 GLU 49 15.556 -11.986 -4.634 225 HG2 GLU 49 HG2 GLU 49 17.158 -10.569 -5.735 226 HG3 GLU 49 HG3 GLU 49 16.152 -9.146 -5.548 227 HE2 GLU 49 HE2 GLU 49 18.967 -9.594 -3.275 228 H GLU 50 H GLU 50 16.164 -12.153 -7.451 229 HA GLU 50 HA GLU 50 17.251 -9.944 -8.706 230 HB2 GLU 50 HB2 GLU 50 17.418 -12.914 -9.007 231 HB3 GLU 50 HB3 GLU 50 17.933 -11.979 -10.396 232 HG2 GLU 50 HG2 GLU 50 19.918 -12.178 -9.124 233 HG3 GLU 50 HG3 GLU 50 19.343 -10.576 -8.709 234 HE2 GLU 50 HE2 GLU 50 19.319 -11.436 -5.382 235 H LEU 51 H LEU 51 14.792 -12.359 -9.817 236 HA LEU 51 HA LEU 51 14.528 -11.376 -12.404 237 HB2 LEU 51 HB2 LEU 51 13.528 -13.368 -12.281 238 HB3 LEU 51 HB3 LEU 51 13.094 -13.178 -10.594 239 HG LEU 51 HG LEU 51 11.212 -13.401 -12.325 240 HD11 LEU 51 HD11 LEU 51 11.205 -12.457 -9.851 241 HD12 LEU 51 HD12 LEU 51 10.772 -10.944 -10.684 242 HD13 LEU 51 HD13 LEU 51 9.756 -12.392 -10.884 243 HD21 LEU 51 HD21 LEU 51 10.925 -11.886 -13.924 244 HD22 LEU 51 HD22 LEU 51 11.032 -10.542 -12.763 245 HD23 LEU 51 HD23 LEU 51 12.514 -11.216 -13.483 246 H ALA 52 H ALA 52 12.888 -10.475 -9.319 247 HA ALA 52 HA ALA 52 11.131 -8.633 -10.532 248 HB1 ALA 52 HB1 ALA 52 11.070 -7.787 -8.065 249 HB2 ALA 52 HB2 ALA 52 10.495 -9.434 -8.417 250 HB3 ALA 52 HB3 ALA 52 12.118 -9.186 -7.728 251 H ARG 53 H ARG 53 14.485 -8.487 -9.310 252 HA ARG 53 HA ARG 53 14.677 -5.749 -9.142 253 HB2 ARG 53 HB2 ARG 53 16.394 -7.267 -8.230 254 HB3 ARG 53 HB3 ARG 53 16.785 -7.855 -9.834 255 HG2 ARG 53 HG2 ARG 53 17.461 -5.488 -10.472 256 HG3 ARG 53 HG3 ARG 53 17.199 -5.008 -8.807 257 HD2 ARG 53 HD2 ARG 53 18.988 -7.386 -9.318 258 HD3 ARG 53 HD3 ARG 53 19.622 -5.794 -9.684 259 HE ARG 53 HE ARG 53 18.607 -5.397 -7.177 260 HH11 ARG 53 HH22 ARG 53 20.669 -7.931 -8.486 261 HH12 ARG 53 HH21 ARG 53 21.472 -8.231 -6.981 262 HH21 ARG 53 HH12 ARG 53 19.666 -5.793 -5.191 263 HH22 ARG 53 HH11 ARG 53 20.898 -7.007 -5.094 264 H GLU 54 H GLU 54 15.202 -8.035 -11.889 265 HA GLU 54 HA GLU 54 16.037 -5.945 -13.620 266 HB2 GLU 54 HB2 GLU 54 15.556 -8.901 -13.838 267 HB3 GLU 54 HB3 GLU 54 15.511 -7.977 -15.326 268 HG2 GLU 54 HG2 GLU 54 17.808 -7.844 -13.317 269 HG3 GLU 54 HG3 GLU 54 17.805 -8.890 -14.724 270 HE2 GLU 54 HE2 GLU 54 19.163 -5.446 -14.708 271 H LYS 55 H LYS 55 13.002 -7.616 -12.793 272 HA LYS 55 HA LYS 55 11.523 -6.837 -15.034 273 HB2 LYS 55 HB2 LYS 55 11.078 -8.517 -13.010 274 HB3 LYS 55 HB3 LYS 55 10.215 -7.137 -12.362 275 HG2 LYS 55 HG2 LYS 55 8.582 -7.198 -14.004 276 HG3 LYS 55 HG3 LYS 55 9.694 -7.737 -15.247 277 HD2 LYS 55 HD2 LYS 55 9.165 -9.676 -13.020 278 HD3 LYS 55 HD3 LYS 55 7.824 -9.364 -14.104 279 HE2 LYS 55 HE2 LYS 55 10.622 -10.215 -14.995 280 HE3 LYS 55 HE3 LYS 55 9.246 -11.292 -14.858 281 HZ1 LYS 55 HZ1 LYS 55 9.882 -9.528 -16.939 282 HZ2 LYS 55 HZ2 LYS 55 8.729 -10.683 -16.893 283 HZ3 LYS 55 HZ3 LYS 55 8.395 -9.174 -16.365 284 H PHE 56 H PHE 56 11.823 -5.338 -11.738 285 HA PHE 56 HA PHE 56 10.291 -3.081 -12.504 286 HB2 PHE 56 HB2 PHE 56 10.579 -2.590 -10.220 287 HB3 PHE 56 HB3 PHE 56 11.058 -4.275 -10.168 288 HD1 PHE 56 HD1 PHE 56 12.606 -0.944 -10.867 289 HD2 PHE 56 HD2 PHE 56 13.026 -4.772 -9.086 290 HE1 PHE 56 HE1 PHE 56 14.852 -0.278 -9.965 291 HE2 PHE 56 HE2 PHE 56 15.272 -4.107 -8.184 292 HZ PHE 56 HZ PHE 56 16.158 -1.868 -8.635 293 H GLU 57 H GLU 57 13.789 -3.877 -12.371 294 HA GLU 57 HA GLU 57 14.742 -1.306 -12.615 295 HB2 GLU 57 HB2 GLU 57 16.278 -3.043 -12.043 296 HB3 GLU 57 HB3 GLU 57 15.839 -4.015 -13.434 297 HG2 GLU 57 HG2 GLU 57 17.038 -2.645 -14.947 298 HG3 GLU 57 HG3 GLU 57 16.996 -1.253 -13.883 299 HE2 GLU 57 HE2 GLU 57 19.408 -4.138 -12.522 300 H LYS 58 H LYS 58 13.446 -3.594 -15.033 301 HA LYS 58 HA LYS 58 14.289 -1.945 -17.235 302 HB2 LYS 58 HB2 LYS 58 14.292 -4.078 -17.987 303 HB3 LYS 58 HB3 LYS 58 13.071 -4.610 -16.848 304 HG2 LYS 58 HG2 LYS 58 11.321 -3.401 -18.217 305 HG3 LYS 58 HG3 LYS 58 12.560 -2.981 -19.382 306 HD2 LYS 58 HD2 LYS 58 12.956 -5.311 -19.941 307 HD3 LYS 58 HD3 LYS 58 12.000 -5.869 -18.582 308 HE2 LYS 58 HE2 LYS 58 10.895 -4.281 -20.950 309 HE3 LYS 58 HE3 LYS 58 10.765 -6.019 -20.767 310 HZ1 LYS 58 HZ1 LYS 58 9.514 -3.939 -19.144 311 HZ2 LYS 58 HZ2 LYS 58 8.811 -5.202 -19.904 312 HZ3 LYS 58 HZ3 LYS 58 9.694 -5.451 -18.554 313 H GLY 59 H GLY 59 11.970 -1.630 -14.851 314 HA2 GLY 59 HA2 GLY 59 10.392 0.155 -16.557 315 HA3 GLY 59 HA3 GLY 59 9.550 -1.123 -15.703 316 H GLU 60 H GLU 60 11.588 1.804 -15.314 317 HA GLU 60 HA GLU 60 11.717 1.877 -12.593 318 HB2 GLU 60 HB2 GLU 60 11.463 4.177 -14.579 319 HB3 GLU 60 HB3 GLU 60 11.925 4.383 -12.901 320 HG2 GLU 60 HG2 GLU 60 13.421 2.707 -14.971 321 HG3 GLU 60 HG3 GLU 60 13.927 4.268 -14.358 322 HE2 GLU 60 HE2 GLU 60 14.394 2.801 -11.071 323 H VAL 61 H VAL 61 10.498 3.269 -11.014 324 HA VAL 61 HA VAL 61 7.646 3.024 -11.562 325 HB VAL 61 HB VAL 61 7.340 2.900 -9.288 326 HG11 VAL 61 HG11 VAL 61 10.108 1.783 -9.830 327 HG12 VAL 61 HG12 VAL 61 9.173 1.446 -8.353 328 HG13 VAL 61 HG13 VAL 61 8.547 0.934 -9.939 329 HG21 VAL 61 HG21 VAL 61 8.345 4.985 -8.615 330 HG22 VAL 61 HG22 VAL 61 9.013 3.685 -7.598 331 HG23 VAL 61 HG23 VAL 61 9.980 4.356 -8.934 332 H SER 62 H SER 62 6.364 4.761 -11.976 333 HA SER 62 HA SER 62 7.414 7.172 -12.619 334 HB2 SER 62 HB2 SER 62 5.024 6.124 -12.980 335 HB3 SER 62 HB3 SER 62 4.610 6.951 -11.492 336 HG SER 62 HG SER 62 5.507 8.947 -12.567 337 H ASN 63 H ASN 63 6.779 5.830 -9.455 338 HA ASN 63 HA ASN 63 6.822 8.461 -8.253 339 HB2 ASN 63 HB2 ASN 63 6.646 5.793 -6.782 340 HB3 ASN 63 HB3 ASN 63 6.114 7.363 -6.215 341 HD21 ASN 63 HD21 ASN 63 4.669 8.434 -8.138 342 HD22 ASN 63 HD22 ASN 63 3.289 7.478 -8.562 343 H PHE 64 H PHE 64 7.962 6.924 -5.744 344 HA PHE 64 HA PHE 64 10.757 6.952 -6.645 345 HB2 PHE 64 HB2 PHE 64 9.530 7.488 -3.875 346 HB3 PHE 64 HB3 PHE 64 11.209 7.736 -4.310 347 HD1 PHE 64 HD1 PHE 64 11.723 9.507 -6.092 348 HD2 PHE 64 HD2 PHE 64 7.973 9.217 -4.127 349 HE1 PHE 64 HE1 PHE 64 11.208 11.881 -6.723 350 HE2 PHE 64 HE2 PHE 64 7.458 11.591 -4.758 351 HZ PHE 64 HZ PHE 64 9.082 12.895 -6.049 352 H ASP 65 H ASP 65 12.180 5.332 -5.852 353 HA ASP 65 HA ASP 65 11.367 3.491 -3.921 354 HB2 ASP 65 HB2 ASP 65 10.926 2.803 -6.821 355 HB3 ASP 65 HB3 ASP 65 11.565 1.541 -5.787 356 HD2 ASP 65 HD2 ASP 65 8.505 1.771 -3.795 357 H ASP 66 H ASP 66 12.995 1.357 -4.307 358 HA ASP 66 HA ASP 66 15.457 2.340 -5.470 359 HB2 ASP 66 HB2 ASP 66 15.187 2.640 -2.830 360 HB3 ASP 66 HB3 ASP 66 15.534 0.923 -2.796 361 HD2 ASP 66 HD2 ASP 66 16.897 3.045 -1.800 362 H VAL 67 H VAL 67 17.082 0.443 -5.686 363 HA VAL 67 HA VAL 67 15.738 -1.822 -6.703 364 HB VAL 67 HB VAL 67 17.830 -0.892 -7.594 365 HG11 VAL 67 HG11 VAL 67 18.802 -0.392 -5.292 366 HG12 VAL 67 HG12 VAL 67 19.251 -2.112 -5.214 367 HG13 VAL 67 HG13 VAL 67 19.924 -1.073 -6.493 368 HG21 VAL 67 HG21 VAL 67 17.250 -3.670 -7.073 369 HG22 VAL 67 HG22 VAL 67 18.000 -2.921 -8.503 370 HG23 VAL 67 HG23 VAL 67 19.011 -3.416 -7.125 371 H GLU 68 H GLU 68 17.892 -1.306 -3.823 372 HA GLU 68 HA GLU 68 17.646 -3.895 -2.895 373 HB2 GLU 68 HB2 GLU 68 19.265 -1.956 -2.205 374 HB3 GLU 68 HB3 GLU 68 18.011 -1.499 -1.069 375 HG2 GLU 68 HG2 GLU 68 19.324 -2.953 0.230 376 HG3 GLU 68 HG3 GLU 68 18.060 -4.026 -0.337 377 HE2 GLU 68 HE2 GLU 68 20.322 -5.341 0.216 378 H GLU 69 H GLU 69 15.525 -1.060 -2.631 379 HA GLU 69 HA GLU 69 14.012 -2.129 -0.494 380 HB2 GLU 69 HB2 GLU 69 13.420 0.117 -2.471 381 HB3 GLU 69 HB3 GLU 69 12.425 -0.251 -1.076 382 HG2 GLU 69 HG2 GLU 69 15.401 0.235 -0.728 383 HG3 GLU 69 HG3 GLU 69 14.304 1.594 -0.879 384 HE2 GLU 69 HE2 GLU 69 15.007 -0.886 1.812 385 H LEU 70 H LEU 70 13.727 -2.006 -4.084 386 HA LEU 70 HA LEU 70 11.146 -3.097 -4.203 387 HB2 LEU 70 HB2 LEU 70 13.356 -2.484 -6.043 388 HB3 LEU 70 HB3 LEU 70 12.340 -3.817 -6.556 389 HG LEU 70 HG LEU 70 11.830 -1.310 -7.239 390 HD11 LEU 70 HD11 LEU 70 10.533 -3.629 -7.534 391 HD12 LEU 70 HD12 LEU 70 9.365 -2.792 -6.484 392 HD13 LEU 70 HD13 LEU 70 9.846 -2.066 -8.036 393 HD21 LEU 70 HD21 LEU 70 11.669 -0.715 -4.738 394 HD22 LEU 70 HD22 LEU 70 10.422 -0.087 -5.842 395 HD23 LEU 70 HD23 LEU 70 10.067 -1.490 -4.804 396 H VAL 71 H VAL 71 14.427 -4.614 -4.551 397 HA VAL 71 HA VAL 71 13.442 -7.218 -4.807 398 HB VAL 71 HB VAL 71 15.804 -7.807 -4.099 399 HG11 VAL 71 HG11 VAL 71 15.613 -5.770 -6.339 400 HG12 VAL 71 HG12 VAL 71 16.743 -7.139 -6.200 401 HG13 VAL 71 HG13 VAL 71 15.008 -7.440 -6.462 402 HG21 VAL 71 HG21 VAL 71 15.754 -5.076 -3.221 403 HG22 VAL 71 HG22 VAL 71 17.048 -6.286 -3.049 404 HG23 VAL 71 HG23 VAL 71 16.985 -5.250 -4.495 405 H LYS 72 H LYS 72 14.266 -5.171 -1.980 406 HA LYS 72 HA LYS 72 14.152 -7.233 -0.082 407 HB2 LYS 72 HB2 LYS 72 15.265 -5.212 0.479 408 HB3 LYS 72 HB3 LYS 72 13.872 -4.229 0.075 409 HG2 LYS 72 HG2 LYS 72 13.554 -6.353 2.200 410 HG3 LYS 72 HG3 LYS 72 14.420 -4.887 2.616 411 HD2 LYS 72 HD2 LYS 72 11.778 -4.604 1.186 412 HD3 LYS 72 HD3 LYS 72 11.748 -5.071 2.875 413 HE2 LYS 72 HE2 LYS 72 13.500 -3.027 3.094 414 HE3 LYS 72 HE3 LYS 72 12.695 -2.493 1.632 415 HZ1 LYS 72 HZ1 LYS 72 11.420 -3.089 4.208 416 HZ2 LYS 72 HZ2 LYS 72 11.546 -1.630 3.484 417 HZ3 LYS 72 HZ3 LYS 72 10.584 -2.781 2.839 418 H LYS 73 H LYS 73 11.679 -5.026 -1.488 419 HA LYS 73 HA LYS 73 9.626 -5.950 0.243 420 HB2 LYS 73 HB2 LYS 73 9.975 -3.782 -1.401 421 HB3 LYS 73 HB3 LYS 73 8.850 -4.745 -2.338 422 HG2 LYS 73 HG2 LYS 73 7.172 -4.649 -0.698 423 HG3 LYS 73 HG3 LYS 73 8.312 -4.428 0.614 424 HD2 LYS 73 HD2 LYS 73 8.354 -2.230 -1.386 425 HD3 LYS 73 HD3 LYS 73 6.817 -2.403 -0.562 426 HE2 LYS 73 HE2 LYS 73 9.502 -2.231 0.886 427 HE3 LYS 73 HE3 LYS 73 8.464 -0.849 0.598 428 HZ1 LYS 73 HZ1 LYS 73 7.148 -3.101 1.784 429 HZ2 LYS 73 HZ2 LYS 73 8.296 -2.419 2.725 430 HZ3 LYS 73 HZ3 LYS 73 7.054 -1.516 2.168 431 H VAL 74 H VAL 74 11.124 -7.089 -2.728 432 HA VAL 74 HA VAL 74 8.921 -8.675 -3.568 433 HB VAL 74 HB VAL 74 11.873 -8.744 -4.223 434 HG11 VAL 74 HG11 VAL 74 9.582 -10.059 -5.721 435 HG12 VAL 74 HG12 VAL 74 11.311 -10.115 -6.138 436 HG13 VAL 74 HG13 VAL 74 10.726 -10.915 -4.659 437 HG21 VAL 74 HG21 VAL 74 11.512 -7.046 -5.630 438 HG22 VAL 74 HG22 VAL 74 10.082 -7.844 -6.327 439 HG23 VAL 74 HG23 VAL 74 9.917 -6.843 -4.865 440 H VAL 75 H VAL 75 12.089 -9.427 -1.949 441 HA VAL 75 HA VAL 75 11.387 -12.122 -1.493 442 HB VAL 75 HB VAL 75 13.683 -11.021 -1.630 443 HG11 VAL 75 HG11 VAL 75 14.666 -10.121 0.357 444 HG12 VAL 75 HG12 VAL 75 13.135 -9.253 0.086 445 HG13 VAL 75 HG13 VAL 75 13.230 -10.526 1.327 446 HG21 VAL 75 HG21 VAL 75 12.798 -13.367 -0.450 447 HG22 VAL 75 HG22 VAL 75 14.487 -12.960 -0.841 448 HG23 VAL 75 HG23 VAL 75 13.855 -12.656 0.794 449 H ALA 76 H ALA 76 10.926 -9.061 0.281 450 HA ALA 76 HA ALA 76 10.286 -10.210 2.760 451 HB1 ALA 76 HB1 ALA 76 10.900 -7.875 2.552 452 HB2 ALA 76 HB2 ALA 76 9.538 -7.569 1.447 453 HB3 ALA 76 HB3 ALA 76 9.227 -7.960 3.155 454 H VAL 77 H VAL 77 8.221 -9.060 0.002 455 HA VAL 77 HA VAL 77 5.806 -9.826 1.183 456 HB VAL 77 HB VAL 77 6.776 -9.141 -1.557 457 HG11 VAL 77 HG11 VAL 77 4.383 -10.777 -0.961 458 HG12 VAL 77 HG12 VAL 77 4.094 -9.358 -1.997 459 HG13 VAL 77 HG13 VAL 77 5.296 -10.581 -2.476 460 HG21 VAL 77 HG21 VAL 77 5.050 -7.951 0.564 461 HG22 VAL 77 HG22 VAL 77 6.253 -7.187 -0.502 462 HG23 VAL 77 HG23 VAL 77 4.635 -7.584 -1.128 463 H CYS 78 H CYS 78 8.014 -11.513 -1.142 464 HA CYS 78 HA CYS 78 6.460 -13.756 -1.502 465 HB2 CYS 78 HB2 CYS 78 8.257 -13.547 -2.972 466 HB3 CYS 78 HB3 CYS 78 9.413 -13.217 -1.696 467 HG CYS 78 HG CYS 78 9.429 -15.566 -0.625 468 H GLU 79 H GLU 79 8.808 -12.835 1.071 469 HA GLU 79 HA GLU 79 8.674 -15.368 2.320 470 HB2 GLU 79 HB2 GLU 79 10.597 -13.680 2.450 471 HB3 GLU 79 HB3 GLU 79 9.605 -12.739 3.546 472 HG2 GLU 79 HG2 GLU 79 11.028 -14.140 4.912 473 HG3 GLU 79 HG3 GLU 79 9.405 -14.789 5.034 474 HE2 GLU 79 HE2 GLU 79 10.117 -17.621 3.135 475 H GLU 80 H GLU 80 6.842 -12.344 2.454 476 HA GLU 80 HA GLU 80 5.693 -12.864 4.978 477 HB2 GLU 80 HB2 GLU 80 5.319 -10.875 2.770 478 HB3 GLU 80 HB3 GLU 80 3.953 -11.108 3.842 479 HG2 GLU 80 HG2 GLU 80 5.181 -10.428 5.768 480 HG3 GLU 80 HG3 GLU 80 6.730 -10.701 4.996 481 HE2 GLU 80 HE2 GLU 80 6.260 -7.830 2.901 482 H LEU 81 H LEU 81 5.158 -14.019 1.731 483 HA LEU 81 HA LEU 81 2.400 -14.715 2.216 484 HB2 LEU 81 HB2 LEU 81 4.289 -15.202 -0.087 485 HB3 LEU 81 HB3 LEU 81 2.638 -15.787 -0.045 486 HG LEU 81 HG LEU 81 3.658 -12.983 -0.323 487 HD11 LEU 81 HD11 LEU 81 1.237 -13.655 -1.751 488 HD12 LEU 81 HD12 LEU 81 2.830 -13.164 -2.374 489 HD13 LEU 81 HD13 LEU 81 2.498 -14.879 -2.033 490 HD21 LEU 81 HD21 LEU 81 1.084 -13.791 1.003 491 HD22 LEU 81 HD22 LEU 81 2.244 -12.518 1.452 492 HD23 LEU 81 HD23 LEU 81 1.180 -12.296 0.042 493 H GLY 82 H GLY 82 5.564 -16.007 2.821 494 HA2 GLY 82 HA2 GLY 82 6.290 -18.136 3.242 495 HA3 GLY 82 HA3 GLY 82 5.013 -18.013 4.435 496 H ALA 83 H ALA 83 4.838 -18.295 0.819 497 HA ALA 83 HA ALA 83 3.281 -20.755 1.241 498 HB1 ALA 83 HB1 ALA 83 2.308 -18.447 0.235 499 HB2 ALA 83 HB2 ALA 83 2.972 -19.150 -1.260 500 HB3 ALA 83 HB3 ALA 83 1.756 -20.046 -0.318 501 H GLU 84 H GLU 84 3.869 -22.579 0.074 502 HA GLU 84 HA GLU 84 5.866 -22.221 -1.982 503 HB2 GLU 84 HB2 GLU 84 6.254 -24.048 0.430 504 HB3 GLU 84 HB3 GLU 84 7.274 -24.061 -0.995 505 HG2 GLU 84 HG2 GLU 84 7.442 -21.426 -0.472 506 HG3 GLU 84 HG3 GLU 84 7.029 -21.952 1.148 507 HE2 GLU 84 HE2 GLU 84 9.735 -24.298 1.039 508 H GLU 85 H GLU 85 2.938 -22.977 -1.732 509 HA GLU 85 HA GLU 85 2.701 -24.725 -3.699 510 HB2 GLU 85 HB2 GLU 85 3.557 -26.166 -1.285 511 HB3 GLU 85 HB3 GLU 85 2.040 -26.787 -1.904 512 HG2 GLU 85 HG2 GLU 85 3.715 -26.345 -4.183 513 HG3 GLU 85 HG3 GLU 85 4.721 -27.126 -2.979 514 HE2 GLU 85 HE2 GLU 85 2.947 -27.750 -5.400 515 H CYS 86 H CYS 86 0.452 -25.455 -4.023 516 HA CYS 86 HA CYS 86 -1.336 -23.941 -2.295 517 HB2 CYS 86 HB2 CYS 86 -1.738 -23.274 -4.484 518 HB3 CYS 86 HB3 CYS 86 -1.476 -24.875 -5.146 519 H PHE 87 H PHE 87 -1.473 -25.425 -0.510 520 HA PHE 87 HA PHE 87 -1.759 -28.156 -0.733 521 HB2 PHE 87 HB2 PHE 87 -2.265 -27.957 1.600 522 HB3 PHE 87 HB3 PHE 87 -1.420 -26.454 1.285 523 HD1 PHE 87 HD1 PHE 87 -4.812 -27.926 1.581 524 HD2 PHE 87 HD2 PHE 87 -2.471 -24.388 1.661 525 HE1 PHE 87 HE1 PHE 87 -6.791 -26.636 2.429 526 HE2 PHE 87 HE2 PHE 87 -4.450 -23.097 2.509 527 HZ PHE 87 HZ PHE 87 -6.587 -24.237 2.882 528 H SER 88 H SER 88 -4.110 -25.550 -1.232 529 HA SER 88 HA SER 88 -6.422 -26.954 -0.781 530 HB2 SER 88 HB2 SER 88 -5.931 -24.810 -2.896 531 HB3 SER 88 HB3 SER 88 -7.496 -25.272 -2.257 532 HG SER 88 HG SER 88 -7.165 -24.067 -0.512 533 H CYS 89 H CYS 89 -3.981 -27.431 -3.173 534 HA CYS 89 HA CYS 89 -5.432 -28.216 -5.375 535 HB2 CYS 89 HB2 CYS 89 -2.693 -28.696 -4.343 536 HB3 CYS 89 HB3 CYS 89 -3.278 -29.883 -5.492 537 H ASP 90 H ASP 90 -4.521 -29.943 -2.347 538 HA ASP 90 HA ASP 90 -5.725 -32.357 -3.304 539 HB2 ASP 90 HB2 ASP 90 -3.661 -32.146 -1.745 540 HB3 ASP 90 HB3 ASP 90 -4.791 -31.730 -0.471 541 HD2 ASP 90 HD2 ASP 90 -5.930 -34.501 -2.500 542 H PHE 91 H PHE 91 -6.713 -29.410 -1.868 543 HA PHE 91 HA PHE 91 -8.774 -30.541 -0.199 544 HB2 PHE 91 HB2 PHE 91 -7.392 -28.383 0.199 545 HB3 PHE 91 HB3 PHE 91 -8.228 -27.672 -1.167 546 HD1 PHE 91 HD2 PHE 91 -8.569 -28.797 2.301 547 HD2 PHE 91 HD1 PHE 91 -10.544 -26.985 -0.989 548 HE1 PHE 91 HE2 PHE 91 -10.417 -28.043 3.824 549 HE2 PHE 91 HE1 PHE 91 -12.391 -26.232 0.534 550 HZ PHE 91 HZ PHE 91 -12.305 -26.770 2.922 551 H ASP 92 H ASP 92 -10.853 -30.954 -0.810 552 HA ASP 92 HA ASP 92 -11.570 -30.052 -3.478 553 HB2 ASP 92 HB2 ASP 92 -13.203 -32.063 -1.934 554 HB3 ASP 92 HB3 ASP 92 -12.939 -31.955 -3.663 555 HD2 ASP 92 HD2 ASP 92 -10.878 -33.689 -0.934 Start of MODEL 10 1 H SER 16 H SER 16 -2.733 -1.805 -7.298 2 HA SER 16 HA SER 16 -1.607 -3.220 -5.243 3 HB2 SER 16 HB2 SER 16 -0.314 -4.391 -7.049 4 HB3 SER 16 HB3 SER 16 -2.022 -4.238 -7.408 5 HG SER 16 HG SER 16 -1.592 -2.544 -8.864 6 H GLU 17 H GLU 17 0.316 -3.070 -4.100 7 HA GLU 17 HA GLU 17 1.813 -0.724 -4.375 8 HB2 GLU 17 HB2 GLU 17 2.028 -3.234 -2.711 9 HB3 GLU 17 HB3 GLU 17 3.383 -2.124 -2.740 10 HG2 GLU 17 HG2 GLU 17 1.465 -0.295 -2.305 11 HG3 GLU 17 HG3 GLU 17 0.588 -1.681 -1.687 12 HE2 GLU 17 HE2 GLU 17 1.540 -0.299 0.860 13 H ALA 18 H ALA 18 4.394 -0.934 -4.414 14 HA ALA 18 HA ALA 18 5.016 -1.920 -7.002 15 HB1 ALA 18 HB1 ALA 18 6.393 -0.163 -6.643 16 HB2 ALA 18 HB2 ALA 18 6.247 -0.299 -4.874 17 HB3 ALA 18 HB3 ALA 18 7.415 -1.316 -5.751 18 H VAL 19 H VAL 19 5.304 -3.115 -3.665 19 HA VAL 19 HA VAL 19 7.206 -5.124 -4.236 20 HB VAL 19 HB VAL 19 6.772 -4.199 -2.010 21 HG11 VAL 19 HG11 VAL 19 4.217 -4.123 -2.427 22 HG12 VAL 19 HG12 VAL 19 4.225 -5.813 -1.867 23 HG13 VAL 19 HG13 VAL 19 4.798 -4.516 -0.791 24 HG21 VAL 19 HG21 VAL 19 7.756 -6.489 -2.352 25 HG22 VAL 19 HG22 VAL 19 6.960 -6.249 -0.778 26 HG23 VAL 19 HG23 VAL 19 6.135 -7.165 -2.061 27 H TYR 20 H TYR 20 3.589 -5.083 -4.001 28 HA TYR 20 HA TYR 20 3.247 -7.802 -4.536 29 HB2 TYR 20 HB2 TYR 20 1.736 -5.185 -4.617 30 HB3 TYR 20 HB3 TYR 20 1.013 -6.481 -5.549 31 HD1 TYR 20 HD1 TYR 20 2.893 -7.490 -2.608 32 HD2 TYR 20 HD2 TYR 20 -0.961 -6.269 -4.011 33 HE1 TYR 20 HE1 TYR 20 1.823 -8.414 -0.495 34 HE2 TYR 20 HE2 TYR 20 -2.018 -7.198 -1.893 35 HH TYR 20 HH TYR 20 -1.267 -9.132 -0.207 36 H ILE 21 H ILE 21 3.422 -4.918 -6.706 37 HA ILE 21 HA ILE 21 2.802 -6.398 -9.036 38 HB ILE 21 HB ILE 21 2.785 -3.804 -8.410 39 HG12 ILE 21 HG12 ILE 21 2.974 -5.193 -11.073 40 HG13 ILE 21 HG13 ILE 21 1.564 -4.541 -10.262 41 HG21 ILE 21 HG21 ILE 21 5.383 -4.179 -9.924 42 HG22 ILE 21 HG22 ILE 21 4.564 -2.625 -9.636 43 HG23 ILE 21 HG23 ILE 21 5.197 -3.566 -8.264 44 HD11 ILE 21 HD11 ILE 21 1.983 -2.912 -11.904 45 HD12 ILE 21 HD12 ILE 21 2.812 -2.223 -10.487 46 HD13 ILE 21 HD13 ILE 21 3.749 -3.064 -11.745 47 H ALA 22 H ALA 22 5.826 -5.471 -7.334 48 HA ALA 22 HA ALA 22 7.553 -6.352 -9.377 49 HB1 ALA 22 HB1 ALA 22 9.270 -6.155 -7.644 50 HB2 ALA 22 HB2 ALA 22 8.149 -4.776 -7.540 51 HB3 ALA 22 HB3 ALA 22 8.021 -6.117 -6.377 52 H ILE 23 H ILE 23 5.880 -7.940 -6.644 53 HA ILE 23 HA ILE 23 7.326 -10.404 -7.155 54 HB ILE 23 HB ILE 23 6.297 -11.223 -5.178 55 HG12 ILE 23 HG12 ILE 23 4.752 -9.307 -4.005 56 HG13 ILE 23 HG13 ILE 23 4.322 -9.078 -5.688 57 HG21 ILE 23 HG21 ILE 23 6.721 -8.861 -3.770 58 HG22 ILE 23 HG22 ILE 23 7.931 -10.106 -4.163 59 HG23 ILE 23 HG23 ILE 23 7.729 -8.693 -5.227 60 HD11 ILE 23 HD11 ILE 23 2.801 -10.731 -4.861 61 HD12 ILE 23 HD12 ILE 23 3.998 -11.636 -5.818 62 HD13 ILE 23 HD13 ILE 23 4.102 -11.627 -4.041 63 H GLU 24 H GLU 24 4.613 -8.722 -8.349 64 HA GLU 24 HA GLU 24 3.294 -11.224 -9.026 65 HB2 GLU 24 HB2 GLU 24 2.335 -8.342 -8.942 66 HB3 GLU 24 HB3 GLU 24 1.421 -9.581 -9.779 67 HG2 GLU 24 HG2 GLU 24 2.326 -10.079 -6.930 68 HG3 GLU 24 HG3 GLU 24 0.933 -9.056 -7.219 69 HE2 GLU 24 HE2 GLU 24 0.861 -11.398 -5.982 70 H ALA 25 H ALA 25 5.570 -9.056 -10.219 71 HA ALA 25 HA ALA 25 4.651 -8.877 -12.916 72 HB1 ALA 25 HB1 ALA 25 7.286 -8.308 -11.512 73 HB2 ALA 25 HB2 ALA 25 7.031 -8.041 -13.253 74 HB3 ALA 25 HB3 ALA 25 6.065 -7.136 -12.063 75 H GLY 26 H GLY 26 5.621 -11.477 -11.067 76 HA2 GLY 26 HA2 GLY 26 5.641 -13.560 -12.395 77 HA3 GLY 26 HA3 GLY 26 6.873 -12.814 -13.393 78 H THR 27 H THR 27 6.533 -12.552 -9.808 79 HA THR 27 HA THR 27 9.246 -13.620 -9.577 80 HB THR 27 HB THR 27 7.527 -12.310 -7.422 81 HG1 THR 27 HG1 THR 27 7.628 -10.963 -9.362 82 HG21 THR 27 HG21 THR 27 10.458 -12.865 -7.898 83 HG22 THR 27 HG22 THR 27 10.024 -11.335 -7.099 84 HG23 THR 27 HG23 THR 27 9.543 -12.887 -6.372 85 H LEU 28 H LEU 28 5.923 -14.098 -8.234 86 HA LEU 28 HA LEU 28 6.818 -16.801 -7.510 87 HB2 LEU 28 HB2 LEU 28 4.635 -15.383 -6.034 88 HB3 LEU 28 HB3 LEU 28 5.619 -16.743 -5.531 89 HG LEU 28 HG LEU 28 6.667 -13.919 -5.859 90 HD11 LEU 28 HD11 LEU 28 5.716 -13.394 -3.927 91 HD12 LEU 28 HD12 LEU 28 5.034 -15.032 -3.778 92 HD13 LEU 28 HD13 LEU 28 6.657 -14.681 -3.136 93 HD21 LEU 28 HD21 LEU 28 8.679 -14.833 -5.689 94 HD22 LEU 28 HD22 LEU 28 8.242 -15.438 -4.073 95 HD23 LEU 28 HD23 LEU 28 7.969 -16.455 -5.508 96 H ALA 29 H ALA 29 4.727 -18.272 -7.226 97 HA ALA 29 HA ALA 29 2.836 -17.591 -9.360 98 HB1 ALA 29 HB1 ALA 29 3.041 -20.240 -9.738 99 HB2 ALA 29 HB2 ALA 29 4.098 -19.081 -10.579 100 HB3 ALA 29 HB3 ALA 29 4.687 -19.936 -9.133 101 H GLU 30 H GLU 30 0.732 -18.609 -9.113 102 HA GLU 30 HA GLU 30 0.326 -20.048 -6.659 103 HB2 GLU 30 HB2 GLU 30 -1.087 -18.525 -5.596 104 HB3 GLU 30 HB3 GLU 30 0.100 -17.446 -6.301 105 HG2 GLU 30 HG2 GLU 30 -2.606 -18.152 -7.534 106 HG3 GLU 30 HG3 GLU 30 -2.222 -16.648 -6.720 107 HE2 GLU 30 HE2 GLU 30 -1.715 -16.527 -10.432 108 H CYS 31 H CYS 31 -1.505 -21.422 -6.748 109 HA CYS 31 HA CYS 31 -2.342 -22.188 -9.257 110 HB2 CYS 31 HB2 CYS 31 -2.607 -23.167 -6.680 111 HB3 CYS 31 HB3 CYS 31 -4.263 -22.799 -7.118 112 H GLU 32 H GLU 32 -3.723 -21.189 -10.682 113 HA GLU 32 HA GLU 32 -5.202 -18.938 -9.770 114 HB2 GLU 32 HB2 GLU 32 -4.083 -18.913 -11.964 115 HB3 GLU 32 HB3 GLU 32 -5.029 -20.288 -12.499 116 HG2 GLU 32 HG2 GLU 32 -7.026 -19.037 -12.651 117 HG3 GLU 32 HG3 GLU 32 -6.481 -17.828 -11.506 118 HE2 GLU 32 HE2 GLU 32 -6.465 -15.874 -13.399 119 H VAL 33 H VAL 33 -5.746 -22.200 -9.503 120 HA VAL 33 HA VAL 33 -8.629 -21.931 -9.985 121 HB VAL 33 HB VAL 33 -8.298 -23.811 -11.112 122 HG11 VAL 33 HG11 VAL 33 -6.203 -25.176 -10.975 123 HG12 VAL 33 HG12 VAL 33 -5.924 -23.456 -11.338 124 HG13 VAL 33 HG13 VAL 33 -5.626 -24.080 -9.697 125 HG21 VAL 33 HG21 VAL 33 -7.952 -24.800 -8.279 126 HG22 VAL 33 HG22 VAL 33 -9.380 -24.899 -9.336 127 HG23 VAL 33 HG23 VAL 33 -7.959 -25.919 -9.663 128 H HIS 34 H HIS 34 -6.233 -21.766 -7.589 129 HA HIS 34 HA HIS 34 -8.254 -22.382 -5.567 130 HB2 HIS 34 HB2 HIS 34 -5.367 -22.919 -4.986 131 HB3 HIS 34 HB3 HIS 34 -6.802 -23.611 -4.257 132 HD1 HIS 34 HD1 HIS 34 -5.702 -23.563 -7.938 133 HD2 HIS 34 HD2 HIS 34 -6.692 -26.263 -4.884 134 HE1 HIS 34 HE1 HIS 34 -5.634 -25.888 -8.989 135 H GLU 35 H GLU 35 -8.834 -20.284 -5.067 136 HA GLU 35 HA GLU 35 -6.907 -18.233 -4.993 137 HB2 GLU 35 HB2 GLU 35 -9.528 -18.167 -5.366 138 HB3 GLU 35 HB3 GLU 35 -9.595 -18.041 -3.620 139 HG2 GLU 35 HG2 GLU 35 -7.834 -16.119 -3.889 140 HG3 GLU 35 HG3 GLU 35 -8.279 -16.130 -5.584 141 HE2 GLU 35 HE2 GLU 35 -10.324 -15.754 -6.077 142 H GLY 36 H GLY 36 -5.541 -17.655 -3.351 143 HA2 GLY 36 HA2 GLY 36 -5.291 -17.137 -1.019 144 HA3 GLY 36 HA3 GLY 36 -6.228 -18.564 -0.625 145 H THR 37 H THR 37 -4.868 -20.167 -2.842 146 HA THR 37 HA THR 37 -2.544 -20.897 -1.253 147 HB THR 37 HB THR 37 -2.828 -22.619 -3.477 148 HG1 THR 37 HG1 THR 37 -5.429 -22.320 -2.335 149 HG21 THR 37 HG21 THR 37 -3.785 -22.663 -0.598 150 HG22 THR 37 HG22 THR 37 -4.328 -23.940 -1.712 151 HG23 THR 37 HG23 THR 37 -2.591 -23.716 -1.395 152 H TYR 38 H TYR 38 -0.483 -20.425 -1.720 153 HA TYR 38 HA TYR 38 0.121 -19.630 -4.471 154 HB2 TYR 38 HB2 TYR 38 0.370 -18.144 -1.825 155 HB3 TYR 38 HB3 TYR 38 1.651 -17.900 -2.996 156 HD1 TYR 38 HD2 TYR 38 -2.104 -17.888 -2.856 157 HD2 TYR 38 HD1 TYR 38 1.442 -16.126 -4.478 158 HE1 TYR 38 HE2 TYR 38 -3.509 -16.129 -4.038 159 HE2 TYR 38 HE1 TYR 38 0.024 -14.373 -5.653 160 HH TYR 38 HH TYR 38 -2.655 -13.446 -4.932 161 H PHE 39 H PHE 39 2.686 -19.248 -4.566 162 HA PHE 39 HA PHE 39 4.251 -20.712 -2.747 163 HB2 PHE 39 HB2 PHE 39 4.595 -22.731 -4.033 164 HB3 PHE 39 HB3 PHE 39 2.861 -22.485 -4.098 165 HD1 PHE 39 HD1 PHE 39 5.986 -22.306 -6.006 166 HD2 PHE 39 HD2 PHE 39 1.768 -21.870 -6.163 167 HE1 PHE 39 HE1 PHE 39 6.077 -22.329 -8.515 168 HE2 PHE 39 HE2 PHE 39 1.859 -21.894 -8.671 169 HZ PHE 39 HZ PHE 39 4.012 -22.122 -9.817 170 H SER 40 H SER 40 6.212 -19.733 -2.869 171 HA SER 40 HA SER 40 6.789 -18.265 -5.273 172 HB2 SER 40 HB2 SER 40 8.219 -18.410 -2.583 173 HB3 SER 40 HB3 SER 40 8.717 -17.372 -3.903 174 HG SER 40 HG SER 40 6.243 -17.271 -2.412 175 H ASP 41 H ASP 41 8.682 -18.601 -6.579 176 HA ASP 41 HA ASP 41 9.354 -21.056 -7.235 177 HB2 ASP 41 HB2 ASP 41 11.673 -20.064 -7.877 178 HB3 ASP 41 HB3 ASP 41 10.246 -19.329 -8.578 179 HD2 ASP 41 HD2 ASP 41 12.264 -16.762 -7.916 180 H SER 42 H SER 42 9.725 -22.626 -5.592 181 HA SER 42 HA SER 42 11.331 -22.054 -3.362 182 HB2 SER 42 HB2 SER 42 9.608 -23.722 -3.148 183 HB3 SER 42 HB3 SER 42 10.199 -24.621 -4.531 184 HG SER 42 HG SER 42 11.063 -24.663 -1.864 185 H GLY 43 H GLY 43 13.523 -22.508 -2.967 186 HA2 GLY 43 HA2 GLY 43 15.479 -23.794 -3.461 187 HA3 GLY 43 HA3 GLY 43 15.012 -23.827 -5.150 188 H ASP 44 H ASP 44 14.095 -20.909 -5.019 189 HA ASP 44 HA ASP 44 16.643 -19.615 -4.588 190 HB2 ASP 44 HB2 ASP 44 15.063 -19.199 -7.159 191 HB3 ASP 44 HB3 ASP 44 16.658 -18.579 -6.786 192 HD2 ASP 44 HD2 ASP 44 18.384 -20.117 -7.757 193 H ILE 45 H ILE 45 15.411 -18.636 -2.774 194 HA ILE 45 HA ILE 45 12.978 -17.257 -3.301 195 HB ILE 45 HB ILE 45 14.832 -17.563 -0.972 196 HG12 ILE 45 HG12 ILE 45 12.974 -19.218 -1.729 197 HG13 ILE 45 HG13 ILE 45 13.145 -18.821 -0.030 198 HG21 ILE 45 HG21 ILE 45 14.341 -15.518 -0.230 199 HG22 ILE 45 HG22 ILE 45 13.086 -15.273 -1.469 200 HG23 ILE 45 HG23 ILE 45 12.694 -16.135 0.039 201 HD11 ILE 45 HD11 ILE 45 10.803 -18.586 -1.535 202 HD12 ILE 45 HD12 ILE 45 11.096 -17.839 0.055 203 HD13 ILE 45 HD13 ILE 45 11.396 -16.910 -1.434 204 H SER 46 H SER 46 16.457 -16.422 -3.129 205 HA SER 46 HA SER 46 16.002 -13.654 -3.180 206 HB2 SER 46 HB2 SER 46 18.485 -13.651 -3.943 207 HB3 SER 46 HB3 SER 46 18.117 -14.303 -2.359 208 HG SER 46 HG SER 46 18.574 -15.808 -4.791 209 H GLU 47 H GLU 47 16.167 -16.223 -5.612 210 HA GLU 47 HA GLU 47 16.824 -14.708 -7.813 211 HB2 GLU 47 HB2 GLU 47 16.855 -17.071 -8.054 212 HB3 GLU 47 HB3 GLU 47 15.230 -17.256 -7.425 213 HG2 GLU 47 HG2 GLU 47 14.234 -16.363 -9.431 214 HG3 GLU 47 HG3 GLU 47 15.764 -15.730 -10.004 215 HE2 GLU 47 HE2 GLU 47 17.282 -17.353 -10.797 216 H ALA 48 H ALA 48 13.850 -14.909 -5.930 217 HA ALA 48 HA ALA 48 12.088 -13.974 -7.924 218 HB1 ALA 48 HB1 ALA 48 11.224 -13.196 -5.308 219 HB2 ALA 48 HB2 ALA 48 10.665 -14.569 -6.294 220 HB3 ALA 48 HB3 ALA 48 12.028 -14.778 -5.168 221 H GLU 49 H GLU 49 14.200 -12.400 -5.475 222 HA GLU 49 HA GLU 49 13.158 -9.833 -6.019 223 HB2 GLU 49 HB2 GLU 49 14.473 -9.159 -4.268 224 HB3 GLU 49 HB3 GLU 49 14.568 -10.881 -3.955 225 HG2 GLU 49 HG2 GLU 49 16.652 -10.922 -5.470 226 HG3 GLU 49 HG3 GLU 49 16.600 -9.170 -5.455 227 HE2 GLU 49 HE2 GLU 49 18.858 -10.129 -4.115 228 H GLU 50 H GLU 50 15.792 -11.864 -7.289 229 HA GLU 50 HA GLU 50 17.154 -9.773 -8.564 230 HB2 GLU 50 HB2 GLU 50 18.052 -12.094 -7.983 231 HB3 GLU 50 HB3 GLU 50 17.144 -12.718 -9.346 232 HG2 GLU 50 HG2 GLU 50 19.119 -10.417 -9.648 233 HG3 GLU 50 HG3 GLU 50 19.625 -12.091 -9.766 234 HE2 GLU 50 HE2 GLU 50 19.997 -10.902 -12.002 235 H LEU 51 H LEU 51 14.920 -12.356 -9.826 236 HA LEU 51 HA LEU 51 14.807 -11.264 -12.412 237 HB2 LEU 51 HB2 LEU 51 13.741 -13.143 -12.853 238 HB3 LEU 51 HB3 LEU 51 14.043 -13.592 -11.186 239 HG LEU 51 HG LEU 51 11.725 -13.996 -11.786 240 HD11 LEU 51 HD11 LEU 51 12.607 -12.462 -9.562 241 HD12 LEU 51 HD12 LEU 51 11.012 -11.840 -10.052 242 HD13 LEU 51 HD13 LEU 51 11.216 -13.567 -9.673 243 HD21 LEU 51 HD21 LEU 51 10.928 -11.170 -11.995 244 HD22 LEU 51 HD22 LEU 51 11.899 -11.772 -13.360 245 HD23 LEU 51 HD23 LEU 51 10.385 -12.596 -12.912 246 H ALA 52 H ALA 52 13.212 -10.491 -9.367 247 HA ALA 52 HA ALA 52 10.985 -9.167 -10.515 248 HB1 ALA 52 HB1 ALA 52 10.971 -8.134 -8.125 249 HB2 ALA 52 HB2 ALA 52 10.724 -9.889 -8.291 250 HB3 ALA 52 HB3 ALA 52 12.313 -9.257 -7.799 251 H ARG 53 H ARG 53 14.159 -8.058 -9.145 252 HA ARG 53 HA ARG 53 13.718 -5.389 -9.579 253 HB2 ARG 53 HB2 ARG 53 15.894 -5.155 -8.840 254 HB3 ARG 53 HB3 ARG 53 15.727 -6.857 -8.459 255 HG2 ARG 53 HG2 ARG 53 16.653 -7.419 -10.746 256 HG3 ARG 53 HG3 ARG 53 16.903 -5.709 -11.034 257 HD2 ARG 53 HD2 ARG 53 18.071 -6.995 -8.546 258 HD3 ARG 53 HD3 ARG 53 18.890 -7.182 -10.083 259 HE ARG 53 HE ARG 53 18.876 -4.813 -8.465 260 HH11 ARG 53 HH22 ARG 53 18.680 -5.797 -11.838 261 HH12 ARG 53 HH21 ARG 53 19.357 -4.321 -12.441 262 HH21 ARG 53 HH12 ARG 53 19.769 -2.865 -9.260 263 HH22 ARG 53 HH11 ARG 53 19.980 -2.642 -10.964 264 H GLU 54 H GLU 54 15.000 -7.973 -11.729 265 HA GLU 54 HA GLU 54 15.827 -6.219 -13.750 266 HB2 GLU 54 HB2 GLU 54 16.779 -8.427 -13.672 267 HB3 GLU 54 HB3 GLU 54 15.204 -9.194 -13.684 268 HG2 GLU 54 HG2 GLU 54 16.133 -9.392 -15.919 269 HG3 GLU 54 HG3 GLU 54 14.805 -8.252 -15.998 270 HE2 GLU 54 HE2 GLU 54 16.128 -7.754 -17.890 271 H LYS 55 H LYS 55 12.922 -8.392 -13.443 272 HA LYS 55 HA LYS 55 11.670 -7.679 -15.767 273 HB2 LYS 55 HB2 LYS 55 11.013 -9.514 -14.227 274 HB3 LYS 55 HB3 LYS 55 10.367 -8.331 -13.108 275 HG2 LYS 55 HG2 LYS 55 8.471 -9.008 -14.369 276 HG3 LYS 55 HG3 LYS 55 8.921 -7.474 -15.086 277 HD2 LYS 55 HD2 LYS 55 10.272 -8.772 -16.823 278 HD3 LYS 55 HD3 LYS 55 9.602 -10.249 -16.161 279 HE2 LYS 55 HE2 LYS 55 7.758 -7.995 -17.025 280 HE3 LYS 55 HE3 LYS 55 8.408 -9.105 -18.215 281 HZ1 LYS 55 HZ1 LYS 55 6.590 -10.242 -17.603 282 HZ2 LYS 55 HZ2 LYS 55 7.568 -10.818 -16.429 283 HZ3 LYS 55 HZ3 LYS 55 6.518 -9.612 -16.098 284 H PHE 56 H PHE 56 11.393 -6.103 -12.512 285 HA PHE 56 HA PHE 56 9.687 -4.069 -13.497 286 HB2 PHE 56 HB2 PHE 56 10.547 -5.117 -11.047 287 HB3 PHE 56 HB3 PHE 56 11.438 -3.609 -11.098 288 HD1 PHE 56 HD1 PHE 56 9.170 -2.164 -12.727 289 HD2 PHE 56 HD2 PHE 56 9.229 -4.433 -9.142 290 HE1 PHE 56 HE1 PHE 56 7.137 -0.935 -11.915 291 HE2 PHE 56 HE2 PHE 56 7.196 -3.205 -8.330 292 HZ PHE 56 HZ PHE 56 6.175 -1.470 -9.726 293 H GLU 57 H GLU 57 13.210 -4.506 -13.209 294 HA GLU 57 HA GLU 57 13.995 -1.892 -13.267 295 HB2 GLU 57 HB2 GLU 57 15.744 -3.387 -12.916 296 HB3 GLU 57 HB3 GLU 57 15.197 -4.498 -14.156 297 HG2 GLU 57 HG2 GLU 57 16.093 -1.759 -15.039 298 HG3 GLU 57 HG3 GLU 57 17.330 -2.888 -14.522 299 HE2 GLU 57 HE2 GLU 57 17.309 -4.024 -17.743 300 H LYS 58 H LYS 58 12.648 -3.936 -15.833 301 HA LYS 58 HA LYS 58 13.445 -2.123 -17.920 302 HB2 LYS 58 HB2 LYS 58 13.312 -4.577 -18.257 303 HB3 LYS 58 HB3 LYS 58 11.583 -4.517 -17.982 304 HG2 LYS 58 HG2 LYS 58 12.311 -4.472 -20.437 305 HG3 LYS 58 HG3 LYS 58 11.196 -3.208 -19.959 306 HD2 LYS 58 HD2 LYS 58 12.887 -1.535 -19.951 307 HD3 LYS 58 HD3 LYS 58 14.184 -2.706 -19.817 308 HE2 LYS 58 HE2 LYS 58 13.335 -3.556 -22.171 309 HE3 LYS 58 HE3 LYS 58 12.524 -2.006 -22.260 310 HZ1 LYS 58 HZ1 LYS 58 14.986 -2.332 -23.030 311 HZ2 LYS 58 HZ2 LYS 58 14.474 -0.919 -22.391 312 HZ3 LYS 58 HZ3 LYS 58 15.302 -1.980 -21.467 313 H GLY 59 H GLY 59 11.664 -1.368 -15.475 314 HA2 GLY 59 HA2 GLY 59 10.248 0.675 -16.431 315 HA3 GLY 59 HA3 GLY 59 9.162 -0.656 -16.780 316 H GLU 60 H GLU 60 11.237 0.589 -14.063 317 HA GLU 60 HA GLU 60 9.036 -0.160 -12.299 318 HB2 GLU 60 HB2 GLU 60 10.801 -0.407 -10.504 319 HB3 GLU 60 HB3 GLU 60 10.912 -1.589 -11.792 320 HG2 GLU 60 HG2 GLU 60 12.675 -0.191 -12.909 321 HG3 GLU 60 HG3 GLU 60 12.575 0.968 -11.598 322 HE2 GLU 60 HE2 GLU 60 13.722 -2.682 -10.431 323 H VAL 61 H VAL 61 9.817 1.164 -9.967 324 HA VAL 61 HA VAL 61 9.367 3.907 -10.781 325 HB VAL 61 HB VAL 61 7.917 3.116 -9.110 326 HG11 VAL 61 HG11 VAL 61 8.873 1.151 -8.276 327 HG12 VAL 61 HG12 VAL 61 10.394 1.962 -7.831 328 HG13 VAL 61 HG13 VAL 61 8.918 2.254 -6.879 329 HG21 VAL 61 HG21 VAL 61 8.754 5.384 -8.706 330 HG22 VAL 61 HG22 VAL 61 8.406 4.550 -7.173 331 HG23 VAL 61 HG23 VAL 61 10.088 4.728 -7.727 332 H SER 62 H SER 62 10.613 5.682 -9.639 333 HA SER 62 HA SER 62 13.367 4.803 -9.249 334 HB2 SER 62 HB2 SER 62 12.298 7.220 -10.751 335 HB3 SER 62 HB3 SER 62 13.953 7.155 -10.179 336 HG SER 62 HG SER 62 14.137 6.303 -12.197 337 H ASN 63 H ASN 63 10.773 7.197 -8.516 338 HA ASN 63 HA ASN 63 12.068 8.777 -6.756 339 HB2 ASN 63 HB2 ASN 63 9.203 7.714 -6.744 340 HB3 ASN 63 HB3 ASN 63 9.735 8.923 -5.594 341 HD21 ASN 63 HD21 ASN 63 7.975 8.692 -8.167 342 HD22 ASN 63 HD22 ASN 63 8.348 10.132 -9.054 343 H PHE 64 H PHE 64 9.756 6.183 -5.663 344 HA PHE 64 HA PHE 64 11.612 5.627 -3.457 345 HB2 PHE 64 HB2 PHE 64 9.134 6.656 -3.234 346 HB3 PHE 64 HB3 PHE 64 8.621 5.009 -3.546 347 HD1 PHE 64 HD2 PHE 64 11.149 6.715 -1.376 348 HD2 PHE 64 HD1 PHE 64 8.099 3.781 -1.679 349 HE1 PHE 64 HE2 PHE 64 11.435 6.166 1.057 350 HE2 PHE 64 HE1 PHE 64 8.385 3.232 0.753 351 HZ PHE 64 HZ PHE 64 10.049 4.431 2.092 352 H ASP 65 H ASP 65 10.860 3.288 -2.463 353 HA ASP 65 HA ASP 65 11.014 1.141 -2.724 354 HB2 ASP 65 HB2 ASP 65 9.695 1.151 -5.430 355 HB3 ASP 65 HB3 ASP 65 9.412 0.084 -4.069 356 HD2 ASP 65 HD2 ASP 65 8.132 0.697 -2.566 357 H ASP 66 H ASP 66 13.355 2.305 -3.447 358 HA ASP 66 HA ASP 66 14.229 2.206 -5.994 359 HB2 ASP 66 HB2 ASP 66 15.389 2.791 -3.651 360 HB3 ASP 66 HB3 ASP 66 16.016 1.160 -3.789 361 HD2 ASP 66 HD2 ASP 66 15.996 4.079 -5.964 362 H VAL 67 H VAL 67 16.253 0.443 -6.494 363 HA VAL 67 HA VAL 67 14.905 -1.975 -7.031 364 HB VAL 67 HB VAL 67 16.513 -1.254 -8.569 365 HG11 VAL 67 HG11 VAL 67 18.144 0.117 -7.904 366 HG12 VAL 67 HG12 VAL 67 17.969 -0.405 -6.212 367 HG13 VAL 67 HG13 VAL 67 19.030 -1.311 -7.317 368 HG21 VAL 67 HG21 VAL 67 17.401 -3.273 -8.957 369 HG22 VAL 67 HG22 VAL 67 18.389 -3.211 -7.477 370 HG23 VAL 67 HG23 VAL 67 16.701 -3.768 -7.397 371 H GLU 68 H GLU 68 17.223 -0.879 -4.520 372 HA GLU 68 HA GLU 68 17.652 -3.463 -3.510 373 HB2 GLU 68 HB2 GLU 68 18.255 -0.653 -2.641 374 HB3 GLU 68 HB3 GLU 68 18.310 -1.894 -1.406 375 HG2 GLU 68 HG2 GLU 68 19.746 -2.253 -4.065 376 HG3 GLU 68 HG3 GLU 68 20.499 -1.393 -2.737 377 HE2 GLU 68 HE2 GLU 68 20.878 -3.649 -0.612 378 H GLU 69 H GLU 69 15.350 -0.802 -2.782 379 HA GLU 69 HA GLU 69 14.333 -2.102 -0.486 380 HB2 GLU 69 HB2 GLU 69 13.202 0.180 -2.166 381 HB3 GLU 69 HB3 GLU 69 12.561 -0.323 -0.615 382 HG2 GLU 69 HG2 GLU 69 15.438 0.604 -1.059 383 HG3 GLU 69 HG3 GLU 69 14.151 1.641 -0.475 384 HE2 GLU 69 HE2 GLU 69 16.487 -0.591 0.728 385 H LEU 70 H LEU 70 13.658 -2.127 -3.968 386 HA LEU 70 HA LEU 70 11.067 -3.270 -3.728 387 HB2 LEU 70 HB2 LEU 70 11.571 -2.003 -5.658 388 HB3 LEU 70 HB3 LEU 70 13.026 -2.923 -5.987 389 HG LEU 70 HG LEU 70 10.439 -4.412 -5.988 390 HD11 LEU 70 HD11 LEU 70 10.851 -3.427 -8.632 391 HD12 LEU 70 HD12 LEU 70 9.437 -3.227 -7.569 392 HD13 LEU 70 HD13 LEU 70 10.759 -2.036 -7.525 393 HD21 LEU 70 HD21 LEU 70 12.695 -5.462 -6.359 394 HD22 LEU 70 HD22 LEU 70 11.499 -5.751 -7.645 395 HD23 LEU 70 HD23 LEU 70 12.792 -4.551 -7.885 396 H VAL 71 H VAL 71 14.333 -4.591 -4.618 397 HA VAL 71 HA VAL 71 13.545 -7.226 -4.846 398 HB VAL 71 HB VAL 71 15.965 -7.687 -4.305 399 HG11 VAL 71 HG11 VAL 71 16.622 -7.092 -6.428 400 HG12 VAL 71 HG12 VAL 71 14.857 -6.924 -6.586 401 HG13 VAL 71 HG13 VAL 71 15.870 -5.482 -6.333 402 HG21 VAL 71 HG21 VAL 71 15.795 -4.860 -3.467 403 HG22 VAL 71 HG22 VAL 71 16.935 -6.138 -2.982 404 HG23 VAL 71 HG23 VAL 71 17.190 -5.248 -4.503 405 H LYS 72 H LYS 72 14.733 -5.400 -1.949 406 HA LYS 72 HA LYS 72 14.585 -7.594 -0.214 407 HB2 LYS 72 HB2 LYS 72 15.297 -6.133 1.371 408 HB3 LYS 72 HB3 LYS 72 15.699 -5.181 -0.044 409 HG2 LYS 72 HG2 LYS 72 14.505 -3.603 1.192 410 HG3 LYS 72 HG3 LYS 72 13.216 -4.265 0.206 411 HD2 LYS 72 HD2 LYS 72 12.226 -4.411 2.311 412 HD3 LYS 72 HD3 LYS 72 12.961 -5.999 2.213 413 HE2 LYS 72 HE2 LYS 72 14.679 -3.793 3.316 414 HE3 LYS 72 HE3 LYS 72 13.345 -4.322 4.322 415 HZ1 LYS 72 HZ1 LYS 72 14.731 -5.926 4.912 416 HZ2 LYS 72 HZ2 LYS 72 14.411 -6.631 3.474 417 HZ3 LYS 72 HZ3 LYS 72 15.741 -5.699 3.649 418 H LYS 73 H LYS 73 12.191 -5.216 -1.380 419 HA LYS 73 HA LYS 73 10.235 -5.941 0.557 420 HB2 LYS 73 HB2 LYS 73 10.305 -4.244 -1.919 421 HB3 LYS 73 HB3 LYS 73 8.758 -4.699 -1.235 422 HG2 LYS 73 HG2 LYS 73 9.299 -3.679 0.903 423 HG3 LYS 73 HG3 LYS 73 10.980 -3.469 0.452 424 HD2 LYS 73 HD2 LYS 73 10.135 -1.966 -1.476 425 HD3 LYS 73 HD3 LYS 73 8.563 -2.015 -0.704 426 HE2 LYS 73 HE2 LYS 73 9.446 -0.993 1.334 427 HE3 LYS 73 HE3 LYS 73 11.095 -1.144 0.760 428 HZ1 LYS 73 HZ1 LYS 73 9.302 0.913 0.274 429 HZ2 LYS 73 HZ2 LYS 73 10.853 0.792 -0.221 430 HZ3 LYS 73 HZ3 LYS 73 9.648 0.222 -1.164 431 H VAL 74 H VAL 74 11.329 -7.174 -2.566 432 HA VAL 74 HA VAL 74 8.965 -8.593 -3.186 433 HB VAL 74 HB VAL 74 11.847 -8.915 -4.042 434 HG11 VAL 74 HG11 VAL 74 10.358 -10.987 -4.280 435 HG12 VAL 74 HG12 VAL 74 9.440 -10.048 -5.482 436 HG13 VAL 74 HG13 VAL 74 11.165 -10.394 -5.752 437 HG21 VAL 74 HG21 VAL 74 10.019 -6.887 -4.597 438 HG22 VAL 74 HG22 VAL 74 11.498 -7.265 -5.513 439 HG23 VAL 74 HG23 VAL 74 9.936 -7.948 -6.024 440 H VAL 75 H VAL 75 12.127 -9.555 -1.682 441 HA VAL 75 HA VAL 75 11.321 -12.202 -1.200 442 HB VAL 75 HB VAL 75 13.329 -12.400 -0.010 443 HG11 VAL 75 HG11 VAL 75 14.891 -11.706 -1.568 444 HG12 VAL 75 HG12 VAL 75 13.385 -11.585 -2.509 445 HG13 VAL 75 HG13 VAL 75 14.114 -10.122 -1.805 446 HG21 VAL 75 HG21 VAL 75 14.565 -10.601 1.008 447 HG22 VAL 75 HG22 VAL 75 13.465 -9.385 0.314 448 HG23 VAL 75 HG23 VAL 75 12.877 -10.505 1.567 449 H ALA 76 H ALA 76 10.973 -9.131 0.594 450 HA ALA 76 HA ALA 76 10.291 -10.201 3.068 451 HB1 ALA 76 HB1 ALA 76 9.458 -8.000 3.544 452 HB2 ALA 76 HB2 ALA 76 10.848 -7.797 2.452 453 HB3 ALA 76 HB3 ALA 76 9.191 -7.658 1.818 454 H VAL 77 H VAL 77 8.165 -9.136 0.316 455 HA VAL 77 HA VAL 77 5.802 -10.021 1.546 456 HB VAL 77 HB VAL 77 6.690 -8.927 -1.017 457 HG11 VAL 77 HG11 VAL 77 4.420 -9.665 -2.077 458 HG12 VAL 77 HG12 VAL 77 5.820 -10.761 -2.149 459 HG13 VAL 77 HG13 VAL 77 4.538 -11.032 -0.944 460 HG21 VAL 77 HG21 VAL 77 4.252 -8.665 0.758 461 HG22 VAL 77 HG22 VAL 77 5.562 -7.490 0.491 462 HG23 VAL 77 HG23 VAL 77 4.394 -7.831 -0.808 463 H CYS 78 H CYS 78 8.181 -11.558 -0.670 464 HA CYS 78 HA CYS 78 6.759 -13.788 -1.353 465 HB2 CYS 78 HB2 CYS 78 8.853 -13.362 -2.411 466 HB3 CYS 78 HB3 CYS 78 9.724 -13.390 -0.890 467 HG CYS 78 HG CYS 78 10.195 -15.552 -2.399 468 H GLU 79 H GLU 79 8.878 -13.187 1.536 469 HA GLU 79 HA GLU 79 8.352 -15.716 2.639 470 HB2 GLU 79 HB2 GLU 79 10.132 -15.084 3.869 471 HB3 GLU 79 HB3 GLU 79 10.037 -13.469 3.194 472 HG2 GLU 79 HG2 GLU 79 8.375 -12.823 4.938 473 HG3 GLU 79 HG3 GLU 79 8.427 -14.445 5.602 474 HE2 GLU 79 HE2 GLU 79 9.614 -11.822 6.935 475 H GLU 80 H GLU 80 6.864 -12.475 2.900 476 HA GLU 80 HA GLU 80 5.350 -13.017 5.170 477 HB2 GLU 80 HB2 GLU 80 5.873 -10.763 3.922 478 HB3 GLU 80 HB3 GLU 80 4.448 -11.134 2.972 479 HG2 GLU 80 HG2 GLU 80 3.015 -11.115 4.910 480 HG3 GLU 80 HG3 GLU 80 4.374 -11.182 6.015 481 HE2 GLU 80 HE2 GLU 80 5.103 -9.390 6.681 482 H LEU 81 H LEU 81 5.102 -14.097 1.868 483 HA LEU 81 HA LEU 81 2.266 -14.613 2.035 484 HB2 LEU 81 HB2 LEU 81 4.399 -14.832 -0.033 485 HB3 LEU 81 HB3 LEU 81 2.992 -15.863 -0.197 486 HG LEU 81 HG LEU 81 3.053 -12.838 -0.133 487 HD11 LEU 81 HD11 LEU 81 1.873 -13.250 -2.391 488 HD12 LEU 81 HD12 LEU 81 3.631 -13.507 -2.286 489 HD13 LEU 81 HD13 LEU 81 2.525 -14.901 -2.261 490 HD21 LEU 81 HD21 LEU 81 1.085 -13.139 0.990 491 HD22 LEU 81 HD22 LEU 81 0.503 -13.264 -0.687 492 HD23 LEU 81 HD23 LEU 81 0.782 -14.738 0.270 493 H GLY 82 H GLY 82 5.244 -16.107 2.984 494 HA2 GLY 82 HA2 GLY 82 5.788 -18.278 3.453 495 HA3 GLY 82 HA3 GLY 82 4.373 -18.101 4.471 496 H ALA 83 H ALA 83 4.769 -18.393 0.867 497 HA ALA 83 HA ALA 83 3.082 -20.796 1.024 498 HB1 ALA 83 HB1 ALA 83 1.675 -20.001 -0.607 499 HB2 ALA 83 HB2 ALA 83 2.165 -18.438 0.091 500 HB3 ALA 83 HB3 ALA 83 2.950 -19.037 -1.390 501 H GLU 84 H GLU 84 3.795 -22.556 -0.155 502 HA GLU 84 HA GLU 84 5.859 -22.094 -2.109 503 HB2 GLU 84 HB2 GLU 84 7.432 -23.675 -1.121 504 HB3 GLU 84 HB3 GLU 84 7.077 -22.418 0.049 505 HG2 GLU 84 HG2 GLU 84 5.427 -23.902 1.175 506 HG3 GLU 84 HG3 GLU 84 5.713 -25.152 -0.020 507 HE2 GLU 84 HE2 GLU 84 8.732 -24.323 2.517 508 H GLU 85 H GLU 85 3.001 -22.935 -2.091 509 HA GLU 85 HA GLU 85 2.908 -24.703 -4.017 510 HB2 GLU 85 HB2 GLU 85 3.650 -26.131 -1.528 511 HB3 GLU 85 HB3 GLU 85 2.281 -26.841 -2.361 512 HG2 GLU 85 HG2 GLU 85 4.271 -26.142 -4.341 513 HG3 GLU 85 HG3 GLU 85 5.072 -27.018 -3.052 514 HE2 GLU 85 HE2 GLU 85 2.642 -27.188 -5.407 515 H CYS 86 H CYS 86 0.712 -25.495 -4.453 516 HA CYS 86 HA CYS 86 -1.210 -24.084 -2.788 517 HB2 CYS 86 HB2 CYS 86 -1.558 -23.453 -4.998 518 HB3 CYS 86 HB3 CYS 86 -1.202 -25.046 -5.635 519 H PHE 87 H PHE 87 -1.309 -25.576 -0.997 520 HA PHE 87 HA PHE 87 -1.470 -28.314 -1.210 521 HB2 PHE 87 HB2 PHE 87 -1.149 -26.908 0.872 522 HB3 PHE 87 HB3 PHE 87 -2.796 -26.327 0.732 523 HD1 PHE 87 HD2 PHE 87 -1.125 -29.676 0.716 524 HD2 PHE 87 HD1 PHE 87 -4.236 -27.242 2.266 525 HE1 PHE 87 HE2 PHE 87 -1.920 -31.592 2.130 526 HE2 PHE 87 HE1 PHE 87 -5.031 -29.158 3.680 527 HZ PHE 87 HZ PHE 87 -3.864 -31.310 3.594 528 H SER 88 H SER 88 -3.920 -25.826 -1.814 529 HA SER 88 HA SER 88 -6.178 -27.338 -1.429 530 HB2 SER 88 HB2 SER 88 -6.096 -24.863 -1.845 531 HB3 SER 88 HB3 SER 88 -5.713 -25.172 -3.527 532 HG SER 88 HG SER 88 -8.157 -25.107 -2.329 533 H CYS 89 H CYS 89 -3.637 -27.706 -3.732 534 HA CYS 89 HA CYS 89 -4.969 -28.561 -5.982 535 HB2 CYS 89 HB2 CYS 89 -2.251 -28.917 -4.848 536 HB3 CYS 89 HB3 CYS 89 -2.740 -30.130 -6.015 537 H ASP 90 H ASP 90 -4.740 -29.929 -2.782 538 HA ASP 90 HA ASP 90 -5.642 -32.495 -3.821 539 HB2 ASP 90 HB2 ASP 90 -4.577 -31.783 -1.047 540 HB3 ASP 90 HB3 ASP 90 -5.016 -33.393 -1.580 541 HD2 ASP 90 HD2 ASP 90 -2.470 -34.242 -3.166 542 H PHE 91 H PHE 91 -6.605 -29.545 -2.367 543 HA PHE 91 HA PHE 91 -8.689 -30.675 -0.722 544 HB2 PHE 91 HB2 PHE 91 -7.272 -28.543 -0.284 545 HB3 PHE 91 HB3 PHE 91 -8.103 -27.796 -1.634 546 HD1 PHE 91 HD2 PHE 91 -8.794 -29.456 1.630 547 HD2 PHE 91 HD1 PHE 91 -10.066 -26.616 -1.255 548 HE1 PHE 91 HE2 PHE 91 -10.629 -28.711 3.172 549 HE2 PHE 91 HE1 PHE 91 -11.902 -25.872 0.287 550 HZ PHE 91 HZ PHE 91 -12.161 -26.928 2.482 551 H ASP 92 H ASP 92 -10.831 -30.899 -1.271 552 HA ASP 92 HA ASP 92 -11.454 -30.472 -4.022 553 HB2 ASP 92 HB2 ASP 92 -13.731 -31.417 -3.240 554 HB3 ASP 92 HB3 ASP 92 -12.345 -32.483 -3.123 555 HD2 ASP 92 HD2 ASP 92 -13.813 -30.149 -0.692 Start of MODEL 11 1 H SER 16 H SER 16 -1.428 -5.442 -6.986 2 HA SER 16 HA SER 16 -2.268 -2.837 -7.779 3 HB2 SER 16 HB2 SER 16 -3.725 -3.915 -6.246 4 HB3 SER 16 HB3 SER 16 -2.409 -4.459 -5.225 5 HG SER 16 HG SER 16 -2.539 -1.669 -5.482 6 H GLU 17 H GLU 17 0.327 -4.354 -5.806 7 HA GLU 17 HA GLU 17 1.411 -1.691 -5.358 8 HB2 GLU 17 HB2 GLU 17 1.587 -4.300 -3.871 9 HB3 GLU 17 HB3 GLU 17 2.962 -3.218 -3.772 10 HG2 GLU 17 HG2 GLU 17 1.519 -1.385 -2.960 11 HG3 GLU 17 HG3 GLU 17 0.087 -2.371 -3.179 12 HE2 GLU 17 HE2 GLU 17 0.428 -3.570 0.024 13 H ALA 18 H ALA 18 3.627 -1.226 -5.894 14 HA ALA 18 HA ALA 18 4.521 -2.270 -8.274 15 HB1 ALA 18 HB1 ALA 18 5.186 -0.100 -7.232 16 HB2 ALA 18 HB2 ALA 18 6.170 -0.998 -6.052 17 HB3 ALA 18 HB3 ALA 18 6.583 -1.056 -7.782 18 H VAL 19 H VAL 19 5.050 -3.362 -4.915 19 HA VAL 19 HA VAL 19 7.134 -5.175 -5.627 20 HB VAL 19 HB VAL 19 7.282 -5.583 -3.404 21 HG11 VAL 19 HG11 VAL 19 5.551 -3.140 -3.048 22 HG12 VAL 19 HG12 VAL 19 7.063 -3.583 -2.221 23 HG13 VAL 19 HG13 VAL 19 7.103 -3.041 -3.916 24 HG21 VAL 19 HG21 VAL 19 5.445 -5.776 -1.833 25 HG22 VAL 19 HG22 VAL 19 4.296 -5.163 -3.046 26 HG23 VAL 19 HG23 VAL 19 5.084 -6.741 -3.283 27 H TYR 20 H TYR 20 3.626 -5.507 -4.741 28 HA TYR 20 HA TYR 20 3.371 -8.203 -4.975 29 HB2 TYR 20 HB2 TYR 20 1.766 -5.702 -5.318 30 HB3 TYR 20 HB3 TYR 20 1.091 -7.050 -6.212 31 HD1 TYR 20 HD1 TYR 20 2.919 -7.739 -3.114 32 HD2 TYR 20 HD2 TYR 20 -0.935 -6.972 -4.804 33 HE1 TYR 20 HE1 TYR 20 1.811 -8.595 -0.992 34 HE2 TYR 20 HE2 TYR 20 -2.031 -7.831 -2.677 35 HH TYR 20 HH TYR 20 -1.704 -8.440 -0.607 36 H ILE 21 H ILE 21 3.481 -5.752 -7.611 37 HA ILE 21 HA ILE 21 2.853 -7.668 -9.625 38 HB ILE 21 HB ILE 21 2.531 -5.085 -9.550 39 HG12 ILE 21 HG12 ILE 21 3.368 -6.634 -12.016 40 HG13 ILE 21 HG13 ILE 21 1.749 -6.479 -11.361 41 HG21 ILE 21 HG21 ILE 21 4.406 -4.050 -11.024 42 HG22 ILE 21 HG22 ILE 21 4.649 -4.197 -9.267 43 HG23 ILE 21 HG23 ILE 21 5.407 -5.369 -10.372 44 HD11 ILE 21 HD11 ILE 21 1.528 -4.725 -12.798 45 HD12 ILE 21 HD12 ILE 21 2.517 -3.819 -11.628 46 HD13 ILE 21 HD13 ILE 21 3.287 -4.591 -13.034 47 H ALA 22 H ALA 22 5.815 -6.311 -8.141 48 HA ALA 22 HA ALA 22 7.605 -7.320 -10.052 49 HB1 ALA 22 HB1 ALA 22 7.688 -5.737 -7.749 50 HB2 ALA 22 HB2 ALA 22 8.638 -7.179 -7.316 51 HB3 ALA 22 HB3 ALA 22 9.079 -6.220 -8.749 52 H ILE 23 H ILE 23 5.973 -8.721 -7.200 53 HA ILE 23 HA ILE 23 7.556 -11.147 -7.477 54 HB ILE 23 HB ILE 23 7.403 -10.599 -5.259 55 HG12 ILE 23 HG12 ILE 23 6.224 -12.903 -6.052 56 HG13 ILE 23 HG13 ILE 23 6.530 -12.476 -4.380 57 HG21 ILE 23 HG21 ILE 23 4.774 -9.434 -5.996 58 HG22 ILE 23 HG22 ILE 23 4.939 -10.058 -4.337 59 HG23 ILE 23 HG23 ILE 23 6.059 -8.809 -4.934 60 HD11 ILE 23 HD11 ILE 23 4.298 -11.922 -3.956 61 HD12 ILE 23 HD12 ILE 23 3.969 -11.511 -5.656 62 HD13 ILE 23 HD13 ILE 23 4.097 -13.216 -5.162 63 H GLU 24 H GLU 24 4.487 -9.727 -8.389 64 HA GLU 24 HA GLU 24 3.421 -12.360 -8.958 65 HB2 GLU 24 HB2 GLU 24 1.974 -10.693 -7.790 66 HB3 GLU 24 HB3 GLU 24 2.111 -9.611 -9.162 67 HG2 GLU 24 HG2 GLU 24 1.251 -12.372 -9.872 68 HG3 GLU 24 HG3 GLU 24 0.123 -11.514 -8.841 69 HE2 GLU 24 HE2 GLU 24 -0.786 -11.624 -11.744 70 H ALA 25 H ALA 25 5.576 -10.408 -10.405 71 HA ALA 25 HA ALA 25 4.402 -10.159 -13.008 72 HB1 ALA 25 HB1 ALA 25 7.074 -9.596 -11.725 73 HB2 ALA 25 HB2 ALA 25 6.923 -9.599 -13.498 74 HB3 ALA 25 HB3 ALA 25 5.946 -8.475 -12.524 75 H GLY 26 H GLY 26 5.314 -12.809 -11.247 76 HA2 GLY 26 HA2 GLY 26 5.106 -14.869 -12.628 77 HA3 GLY 26 HA3 GLY 26 6.391 -14.211 -13.620 78 H THR 27 H THR 27 6.950 -13.166 -10.448 79 HA THR 27 HA THR 27 9.264 -14.697 -10.146 80 HB THR 27 HB THR 27 7.674 -12.679 -8.658 81 HG1 THR 27 HG1 THR 27 9.626 -11.996 -9.531 82 HG21 THR 27 HG21 THR 27 7.915 -14.603 -6.945 83 HG22 THR 27 HG22 THR 27 9.675 -14.413 -7.131 84 HG23 THR 27 HG23 THR 27 8.696 -13.068 -6.495 85 H LEU 28 H LEU 28 5.998 -15.080 -8.637 86 HA LEU 28 HA LEU 28 6.792 -17.851 -8.090 87 HB2 LEU 28 HB2 LEU 28 5.250 -17.605 -6.053 88 HB3 LEU 28 HB3 LEU 28 6.892 -16.998 -5.969 89 HG LEU 28 HG LEU 28 5.543 -14.767 -6.817 90 HD11 LEU 28 HD11 LEU 28 3.360 -14.928 -6.461 91 HD12 LEU 28 HD12 LEU 28 3.548 -16.560 -5.776 92 HD13 LEU 28 HD13 LEU 28 3.690 -15.131 -4.724 93 HD21 LEU 28 HD21 LEU 28 5.556 -14.244 -4.234 94 HD22 LEU 28 HD22 LEU 28 6.467 -15.772 -4.155 95 HD23 LEU 28 HD23 LEU 28 7.073 -14.424 -5.148 96 H ALA 29 H ALA 29 4.599 -19.130 -7.514 97 HA ALA 29 HA ALA 29 2.575 -18.244 -9.450 98 HB1 ALA 29 HB1 ALA 29 3.543 -19.949 -10.678 99 HB2 ALA 29 HB2 ALA 29 4.070 -20.840 -9.231 100 HB3 ALA 29 HB3 ALA 29 2.362 -20.885 -9.730 101 H GLU 30 H GLU 30 0.387 -19.023 -8.972 102 HA GLU 30 HA GLU 30 0.041 -20.240 -6.397 103 HB2 GLU 30 HB2 GLU 30 -1.140 -18.494 -5.347 104 HB3 GLU 30 HB3 GLU 30 0.191 -17.656 -6.119 105 HG2 GLU 30 HG2 GLU 30 -2.636 -17.924 -7.248 106 HG3 GLU 30 HG3 GLU 30 -1.962 -16.481 -6.518 107 HE2 GLU 30 HE2 GLU 30 0.646 -16.732 -9.037 108 H CYS 31 H CYS 31 -1.833 -21.496 -6.328 109 HA CYS 31 HA CYS 31 -3.049 -22.145 -8.714 110 HB2 CYS 31 HB2 CYS 31 -3.207 -22.974 -5.973 111 HB3 CYS 31 HB3 CYS 31 -4.839 -22.775 -6.577 112 H GLU 32 H GLU 32 -4.985 -21.460 -9.727 113 HA GLU 32 HA GLU 32 -6.067 -19.007 -8.602 114 HB2 GLU 32 HB2 GLU 32 -5.062 -19.133 -10.990 115 HB3 GLU 32 HB3 GLU 32 -6.498 -20.036 -11.430 116 HG2 GLU 32 HG2 GLU 32 -7.927 -18.202 -11.125 117 HG3 GLU 32 HG3 GLU 32 -6.884 -17.445 -9.937 118 HE2 GLU 32 HE2 GLU 32 -7.819 -16.738 -12.992 119 H VAL 33 H VAL 33 -6.708 -21.936 -7.876 120 HA VAL 33 HA VAL 33 -9.536 -21.943 -8.648 121 HB VAL 33 HB VAL 33 -8.636 -23.969 -9.278 122 HG11 VAL 33 HG11 VAL 33 -6.409 -23.781 -8.421 123 HG12 VAL 33 HG12 VAL 33 -6.979 -23.894 -6.739 124 HG13 VAL 33 HG13 VAL 33 -7.082 -25.311 -7.811 125 HG21 VAL 33 HG21 VAL 33 -9.374 -25.666 -7.550 126 HG22 VAL 33 HG22 VAL 33 -9.707 -24.298 -6.461 127 HG23 VAL 33 HG23 VAL 33 -10.592 -24.448 -7.999 128 H HIS 34 H HIS 34 -7.217 -21.818 -5.938 129 HA HIS 34 HA HIS 34 -9.478 -21.138 -4.224 130 HB2 HIS 34 HB2 HIS 34 -7.782 -22.405 -2.481 131 HB3 HIS 34 HB3 HIS 34 -9.254 -23.079 -3.152 132 HD1 HIS 34 HD1 HIS 34 -9.040 -25.040 -4.783 133 HD2 HIS 34 HD2 HIS 34 -5.355 -23.306 -3.778 134 HE1 HIS 34 HE1 HIS 34 -7.241 -26.601 -5.699 135 H GLU 35 H GLU 35 -9.158 -19.030 -3.716 136 HA GLU 35 HA GLU 35 -6.661 -17.825 -3.947 137 HB2 GLU 35 HB2 GLU 35 -9.314 -16.994 -2.742 138 HB3 GLU 35 HB3 GLU 35 -7.913 -15.955 -2.578 139 HG2 GLU 35 HG2 GLU 35 -7.649 -16.274 -5.178 140 HG3 GLU 35 HG3 GLU 35 -9.307 -16.839 -5.127 141 HE2 GLU 35 HE2 GLU 35 -9.345 -14.958 -6.443 142 H GLY 36 H GLY 36 -5.055 -17.312 -2.436 143 HA2 GLY 36 HA2 GLY 36 -4.446 -16.935 -0.141 144 HA3 GLY 36 HA3 GLY 36 -5.529 -18.228 0.334 145 H THR 37 H THR 37 -4.720 -19.923 -2.066 146 HA THR 37 HA THR 37 -2.356 -21.056 -0.813 147 HB THR 37 HB THR 37 -3.197 -22.563 -3.080 148 HG1 THR 37 HG1 THR 37 -5.541 -22.228 -1.596 149 HG21 THR 37 HG21 THR 37 -4.132 -24.114 -1.419 150 HG22 THR 37 HG22 THR 37 -2.616 -23.451 -0.764 151 HG23 THR 37 HG23 THR 37 -4.181 -22.825 -0.192 152 H TYR 38 H TYR 38 -0.370 -20.444 -1.368 153 HA TYR 38 HA TYR 38 0.094 -19.887 -4.210 154 HB2 TYR 38 HB2 TYR 38 0.733 -18.311 -1.661 155 HB3 TYR 38 HB3 TYR 38 1.756 -18.112 -3.070 156 HD1 TYR 38 HD2 TYR 38 -1.903 -18.089 -2.210 157 HD2 TYR 38 HD1 TYR 38 1.264 -16.363 -4.511 158 HE1 TYR 38 HE2 TYR 38 -3.514 -16.357 -3.142 159 HE2 TYR 38 HE1 TYR 38 -0.358 -14.636 -5.435 160 HH TYR 38 HH TYR 38 -2.351 -13.757 -5.238 161 H PHE 39 H PHE 39 2.648 -19.667 -4.520 162 HA PHE 39 HA PHE 39 4.275 -21.090 -2.720 163 HB2 PHE 39 HB2 PHE 39 4.489 -23.175 -4.002 164 HB3 PHE 39 HB3 PHE 39 2.774 -22.920 -3.745 165 HD1 PHE 39 HD2 PHE 39 5.477 -22.843 -6.223 166 HD2 PHE 39 HD1 PHE 39 1.304 -22.398 -5.588 167 HE1 PHE 39 HE2 PHE 39 5.085 -22.981 -8.698 168 HE2 PHE 39 HE1 PHE 39 0.913 -22.536 -8.063 169 HZ PHE 39 HZ PHE 39 2.808 -22.826 -9.589 170 H SER 40 H SER 40 6.203 -20.090 -3.027 171 HA SER 40 HA SER 40 6.714 -19.021 -5.666 172 HB2 SER 40 HB2 SER 40 6.915 -17.578 -3.597 173 HB3 SER 40 HB3 SER 40 8.250 -18.583 -3.067 174 HG SER 40 HG SER 40 9.549 -17.469 -4.341 175 H ASP 41 H ASP 41 8.719 -19.462 -6.807 176 HA ASP 41 HA ASP 41 9.476 -21.980 -7.006 177 HB2 ASP 41 HB2 ASP 41 10.350 -19.589 -8.053 178 HB3 ASP 41 HB3 ASP 41 11.766 -20.061 -7.135 179 HD2 ASP 41 HD2 ASP 41 11.518 -20.919 -10.600 180 H SER 42 H SER 42 9.798 -23.205 -5.075 181 HA SER 42 HA SER 42 11.286 -22.207 -2.927 182 HB2 SER 42 HB2 SER 42 10.874 -25.164 -3.427 183 HB3 SER 42 HB3 SER 42 10.880 -24.304 -1.900 184 HG SER 42 HG SER 42 8.892 -23.164 -3.162 185 H GLY 43 H GLY 43 13.462 -22.569 -2.314 186 HA2 GLY 43 HA2 GLY 43 15.476 -23.848 -2.537 187 HA3 GLY 43 HA3 GLY 43 15.117 -24.085 -4.236 188 H ASP 44 H ASP 44 14.139 -21.229 -4.560 189 HA ASP 44 HA ASP 44 16.574 -19.768 -4.053 190 HB2 ASP 44 HB2 ASP 44 16.250 -18.898 -6.553 191 HB3 ASP 44 HB3 ASP 44 17.200 -20.332 -6.218 192 HD2 ASP 44 HD2 ASP 44 13.991 -20.460 -8.454 193 H ILE 45 H ILE 45 15.054 -18.636 -2.559 194 HA ILE 45 HA ILE 45 12.684 -17.452 -3.603 195 HB ILE 45 HB ILE 45 12.652 -16.316 -1.385 196 HG12 ILE 45 HG12 ILE 45 14.880 -18.038 -0.418 197 HG13 ILE 45 HG13 ILE 45 15.329 -16.609 -1.328 198 HG21 ILE 45 HG21 ILE 45 13.070 -19.108 -0.607 199 HG22 ILE 45 HG22 ILE 45 11.601 -18.105 -0.559 200 HG23 ILE 45 HG23 ILE 45 12.073 -18.918 -2.070 201 HD11 ILE 45 HD11 ILE 45 14.778 -16.620 1.367 202 HD12 ILE 45 HD12 ILE 45 14.656 -15.179 0.329 203 HD13 ILE 45 HD13 ILE 45 13.202 -16.137 0.696 204 H SER 46 H SER 46 16.095 -16.608 -3.443 205 HA SER 46 HA SER 46 15.854 -13.863 -3.508 206 HB2 SER 46 HB2 SER 46 18.151 -13.867 -4.350 207 HB3 SER 46 HB3 SER 46 17.978 -15.109 -3.126 208 HG SER 46 HG SER 46 17.863 -15.553 -5.988 209 H GLU 47 H GLU 47 15.207 -16.330 -5.925 210 HA GLU 47 HA GLU 47 15.655 -14.912 -8.228 211 HB2 GLU 47 HB2 GLU 47 15.110 -17.352 -8.078 212 HB3 GLU 47 HB3 GLU 47 13.450 -16.950 -7.686 213 HG2 GLU 47 HG2 GLU 47 13.192 -17.171 -9.971 214 HG3 GLU 47 HG3 GLU 47 13.659 -15.482 -9.944 215 HE2 GLU 47 HE2 GLU 47 14.729 -18.628 -10.673 216 H ALA 48 H ALA 48 13.154 -14.570 -5.776 217 HA ALA 48 HA ALA 48 11.268 -13.240 -7.436 218 HB1 ALA 48 HB1 ALA 48 10.626 -14.417 -5.383 219 HB2 ALA 48 HB2 ALA 48 11.645 -13.325 -4.415 220 HB3 ALA 48 HB3 ALA 48 10.209 -12.692 -5.255 221 H GLU 49 H GLU 49 14.104 -12.308 -5.478 222 HA GLU 49 HA GLU 49 13.483 -9.556 -5.550 223 HB2 GLU 49 HB2 GLU 49 15.854 -11.226 -4.726 224 HB3 GLU 49 HB3 GLU 49 16.092 -9.505 -4.955 225 HG2 GLU 49 HG2 GLU 49 13.976 -9.211 -3.439 226 HG3 GLU 49 HG3 GLU 49 14.216 -10.892 -3.004 227 HE2 GLU 49 HE2 GLU 49 17.525 -9.968 -2.999 228 H GLU 50 H GLU 50 15.460 -11.814 -7.522 229 HA GLU 50 HA GLU 50 16.698 -9.802 -9.020 230 HB2 GLU 50 HB2 GLU 50 16.186 -12.741 -9.654 231 HB3 GLU 50 HB3 GLU 50 17.235 -11.702 -10.597 232 HG2 GLU 50 HG2 GLU 50 17.625 -12.067 -7.598 233 HG3 GLU 50 HG3 GLU 50 18.343 -13.166 -8.759 234 HE2 GLU 50 HE2 GLU 50 18.694 -9.788 -10.051 235 H LEU 51 H LEU 51 13.816 -11.921 -9.618 236 HA LEU 51 HA LEU 51 13.238 -10.928 -12.152 237 HB2 LEU 51 HB2 LEU 51 11.626 -12.282 -10.009 238 HB3 LEU 51 HB3 LEU 51 10.873 -11.738 -11.495 239 HG LEU 51 HG LEU 51 13.272 -13.575 -11.494 240 HD11 LEU 51 HD11 LEU 51 11.239 -14.442 -10.165 241 HD12 LEU 51 HD12 LEU 51 10.441 -14.569 -11.751 242 HD13 LEU 51 HD13 LEU 51 11.936 -15.482 -11.431 243 HD21 LEU 51 HD21 LEU 51 12.219 -14.224 -13.727 244 HD22 LEU 51 HD22 LEU 51 11.215 -12.765 -13.548 245 HD23 LEU 51 HD23 LEU 51 12.988 -12.622 -13.622 246 H ALA 52 H ALA 52 12.100 -9.904 -8.872 247 HA ALA 52 HA ALA 52 10.456 -7.841 -9.872 248 HB1 ALA 52 HB1 ALA 52 9.984 -8.695 -7.708 249 HB2 ALA 52 HB2 ALA 52 11.672 -8.509 -7.175 250 HB3 ALA 52 HB3 ALA 52 10.653 -7.071 -7.422 251 H ARG 53 H ARG 53 13.905 -8.112 -8.973 252 HA ARG 53 HA ARG 53 14.483 -5.466 -8.717 253 HB2 ARG 53 HB2 ARG 53 16.311 -6.800 -8.181 254 HB3 ARG 53 HB3 ARG 53 15.998 -7.937 -9.477 255 HG2 ARG 53 HG2 ARG 53 17.010 -6.512 -11.127 256 HG3 ARG 53 HG3 ARG 53 16.965 -5.115 -10.071 257 HD2 ARG 53 HD2 ARG 53 19.147 -5.645 -9.616 258 HD3 ARG 53 HD3 ARG 53 18.468 -6.851 -8.541 259 HE ARG 53 HE ARG 53 18.505 -8.109 -11.029 260 HH11 ARG 53 HH22 ARG 53 20.916 -6.559 -8.989 261 HH12 ARG 53 HH21 ARG 53 22.219 -7.548 -9.558 262 HH21 ARG 53 HH12 ARG 53 20.223 -9.414 -11.781 263 HH22 ARG 53 HH11 ARG 53 21.822 -9.183 -11.158 264 H GLU 54 H GLU 54 14.429 -7.544 -11.689 265 HA GLU 54 HA GLU 54 15.155 -5.355 -13.345 266 HB2 GLU 54 HB2 GLU 54 14.511 -8.256 -13.706 267 HB3 GLU 54 HB3 GLU 54 14.242 -7.229 -15.100 268 HG2 GLU 54 HG2 GLU 54 16.474 -7.631 -15.483 269 HG3 GLU 54 HG3 GLU 54 16.691 -6.298 -14.367 270 HE2 GLU 54 HE2 GLU 54 16.496 -9.715 -14.526 271 H LYS 55 H LYS 55 12.142 -7.085 -12.426 272 HA LYS 55 HA LYS 55 10.424 -6.062 -14.300 273 HB2 LYS 55 HB2 LYS 55 10.099 -7.787 -12.369 274 HB3 LYS 55 HB3 LYS 55 9.610 -6.397 -11.420 275 HG2 LYS 55 HG2 LYS 55 7.634 -7.423 -12.468 276 HG3 LYS 55 HG3 LYS 55 7.887 -5.820 -13.129 277 HD2 LYS 55 HD2 LYS 55 7.410 -7.842 -14.762 278 HD3 LYS 55 HD3 LYS 55 8.589 -6.627 -15.213 279 HE2 LYS 55 HE2 LYS 55 9.458 -8.940 -15.576 280 HE3 LYS 55 HE3 LYS 55 10.439 -8.051 -14.428 281 HZ1 LYS 55 HZ1 LYS 55 8.675 -10.284 -13.967 282 HZ2 LYS 55 HZ2 LYS 55 10.098 -9.916 -13.255 283 HZ3 LYS 55 HZ3 LYS 55 8.730 -9.157 -12.787 284 H PHE 56 H PHE 56 11.344 -4.630 -11.094 285 HA PHE 56 HA PHE 56 9.854 -2.267 -11.605 286 HB2 PHE 56 HB2 PHE 56 10.482 -1.858 -9.380 287 HB3 PHE 56 HB3 PHE 56 10.908 -3.557 -9.420 288 HD1 PHE 56 HD2 PHE 56 12.429 -0.248 -10.258 289 HD2 PHE 56 HD1 PHE 56 13.012 -4.149 -8.693 290 HE1 PHE 56 HE2 PHE 56 14.805 0.333 -9.693 291 HE2 PHE 56 HE1 PHE 56 15.387 -3.568 -8.128 292 HZ PHE 56 HZ PHE 56 16.255 -1.333 -8.635 293 H GLU 57 H GLU 57 13.316 -3.243 -11.867 294 HA GLU 57 HA GLU 57 14.279 -0.691 -12.359 295 HB2 GLU 57 HB2 GLU 57 15.695 -2.629 -11.722 296 HB3 GLU 57 HB3 GLU 57 15.372 -3.391 -13.266 297 HG2 GLU 57 HG2 GLU 57 17.588 -2.084 -13.070 298 HG3 GLU 57 HG3 GLU 57 16.604 -1.747 -14.481 299 HE2 GLU 57 HE2 GLU 57 17.278 0.827 -11.568 300 H LYS 58 H LYS 58 12.258 -2.731 -14.249 301 HA LYS 58 HA LYS 58 13.207 -1.786 -16.796 302 HB2 LYS 58 HB2 LYS 58 11.142 -3.709 -15.819 303 HB3 LYS 58 HB3 LYS 58 10.899 -2.996 -17.401 304 HG2 LYS 58 HG2 LYS 58 13.455 -4.411 -16.505 305 HG3 LYS 58 HG3 LYS 58 12.203 -5.142 -17.490 306 HD2 LYS 58 HD2 LYS 58 12.629 -2.929 -18.991 307 HD3 LYS 58 HD3 LYS 58 14.202 -3.014 -18.224 308 HE2 LYS 58 HE2 LYS 58 12.901 -5.375 -19.661 309 HE3 LYS 58 HE3 LYS 58 14.023 -4.272 -20.434 310 HZ1 LYS 58 HZ1 LYS 58 14.536 -6.287 -18.444 311 HZ2 LYS 58 HZ2 LYS 58 15.477 -5.775 -19.676 312 HZ3 LYS 58 HZ3 LYS 58 15.401 -4.909 -18.294 313 H GLY 59 H GLY 59 11.213 -0.621 -14.242 314 HA2 GLY 59 HA2 GLY 59 10.198 1.487 -16.031 315 HA3 GLY 59 HA3 GLY 59 9.093 0.634 -14.971 316 H GLU 60 H GLU 60 8.725 1.535 -12.992 317 HA GLU 60 HA GLU 60 10.880 3.185 -11.922 318 HB2 GLU 60 HB2 GLU 60 8.610 4.277 -12.855 319 HB3 GLU 60 HB3 GLU 60 8.013 3.829 -11.270 320 HG2 GLU 60 HG2 GLU 60 9.316 5.388 -10.183 321 HG3 GLU 60 HG3 GLU 60 10.687 5.141 -11.245 322 HE2 GLU 60 HE2 GLU 60 9.841 8.284 -12.431 323 H VAL 61 H VAL 61 9.965 3.727 -9.391 324 HA VAL 61 HA VAL 61 9.342 1.078 -8.284 325 HB VAL 61 HB VAL 61 10.850 2.230 -6.348 326 HG11 VAL 61 HG11 VAL 61 12.438 0.766 -8.375 327 HG12 VAL 61 HG12 VAL 61 12.174 0.421 -6.649 328 HG13 VAL 61 HG13 VAL 61 10.940 -0.037 -7.847 329 HG21 VAL 61 HG21 VAL 61 12.011 3.138 -9.001 330 HG22 VAL 61 HG22 VAL 61 11.503 4.159 -7.635 331 HG23 VAL 61 HG23 VAL 61 12.917 3.091 -7.469 332 H SER 62 H SER 62 9.106 1.795 -5.606 333 HA SER 62 HA SER 62 6.784 3.524 -5.796 334 HB2 SER 62 HB2 SER 62 6.081 2.498 -3.670 335 HB3 SER 62 HB3 SER 62 6.433 1.260 -4.859 336 HG SER 62 HG SER 62 7.364 0.767 -2.769 337 H ASN 63 H ASN 63 9.528 2.803 -3.505 338 HA ASN 63 HA ASN 63 9.171 5.229 -2.143 339 HB2 ASN 63 HB2 ASN 63 11.497 3.242 -2.257 340 HB3 ASN 63 HB3 ASN 63 11.486 4.623 -1.179 341 HD21 ASN 63 HD21 ASN 63 9.014 4.822 -0.245 342 HD22 ASN 63 HD22 ASN 63 8.516 3.415 0.634 343 H PHE 64 H PHE 64 12.123 4.024 -3.914 344 HA PHE 64 HA PHE 64 12.234 6.200 -5.686 345 HB2 PHE 64 HB2 PHE 64 13.054 6.736 -3.023 346 HB3 PHE 64 HB3 PHE 64 14.564 6.373 -3.834 347 HD1 PHE 64 HD1 PHE 64 11.589 8.068 -5.276 348 HD2 PHE 64 HD2 PHE 64 15.592 8.473 -3.926 349 HE1 PHE 64 HE1 PHE 64 11.660 10.406 -6.188 350 HE2 PHE 64 HE2 PHE 64 15.663 10.811 -4.838 351 HZ PHE 64 HZ PHE 64 13.696 11.749 -5.958 352 H ASP 65 H ASP 65 14.979 6.381 -6.170 353 HA ASP 65 HA ASP 65 15.414 4.005 -7.510 354 HB2 ASP 65 HB2 ASP 65 17.463 6.107 -6.664 355 HB3 ASP 65 HB3 ASP 65 17.688 4.930 -7.942 356 HD2 ASP 65 HD2 ASP 65 17.056 7.522 -9.891 357 H ASP 66 H ASP 66 15.617 2.098 -6.266 358 HA ASP 66 HA ASP 66 17.990 1.808 -4.775 359 HB2 ASP 66 HB2 ASP 66 15.309 1.772 -3.316 360 HB3 ASP 66 HB3 ASP 66 16.763 1.054 -2.652 361 HD2 ASP 66 HD2 ASP 66 18.589 2.671 -2.818 362 H VAL 67 H VAL 67 18.349 -0.024 -6.145 363 HA VAL 67 HA VAL 67 16.309 -1.891 -6.725 364 HB VAL 67 HB VAL 67 18.186 -1.470 -8.199 365 HG11 VAL 67 HG11 VAL 67 19.874 -2.563 -5.929 366 HG12 VAL 67 HG12 VAL 67 20.458 -2.374 -7.600 367 HG13 VAL 67 HG13 VAL 67 19.953 -0.945 -6.666 368 HG21 VAL 67 HG21 VAL 67 18.959 -4.205 -7.666 369 HG22 VAL 67 HG22 VAL 67 17.203 -4.004 -7.451 370 HG23 VAL 67 HG23 VAL 67 17.969 -3.545 -8.990 371 H GLU 68 H GLU 68 19.013 -1.745 -4.339 372 HA GLU 68 HA GLU 68 18.625 -4.326 -3.385 373 HB2 GLU 68 HB2 GLU 68 20.138 -3.719 -1.636 374 HB3 GLU 68 HB3 GLU 68 20.647 -2.802 -3.040 375 HG2 GLU 68 HG2 GLU 68 18.791 -1.687 -0.886 376 HG3 GLU 68 HG3 GLU 68 20.530 -1.466 -0.871 377 HE2 GLU 68 HE2 GLU 68 19.382 1.066 -1.319 378 H GLU 69 H GLU 69 17.080 -1.194 -2.658 379 HA GLU 69 HA GLU 69 15.843 -2.133 -0.296 380 HB2 GLU 69 HB2 GLU 69 16.367 0.292 -0.857 381 HB3 GLU 69 HB3 GLU 69 15.057 0.255 -2.020 382 HG2 GLU 69 HG2 GLU 69 14.185 1.177 0.055 383 HG3 GLU 69 HG3 GLU 69 13.475 -0.410 -0.167 384 HE2 GLU 69 HE2 GLU 69 16.771 -0.855 1.414 385 H LEU 70 H LEU 70 14.815 -1.623 -3.728 386 HA LEU 70 HA LEU 70 12.148 -2.292 -3.393 387 HB2 LEU 70 HB2 LEU 70 13.599 -1.357 -5.405 388 HB3 LEU 70 HB3 LEU 70 13.600 -3.041 -5.887 389 HG LEU 70 HG LEU 70 11.816 -1.620 -6.930 390 HD11 LEU 70 HD11 LEU 70 10.341 -3.707 -5.413 391 HD12 LEU 70 HD12 LEU 70 10.441 -3.405 -7.164 392 HD13 LEU 70 HD13 LEU 70 11.776 -4.230 -6.326 393 HD21 LEU 70 HD21 LEU 70 10.346 -1.766 -4.305 394 HD22 LEU 70 HD22 LEU 70 11.390 -0.382 -4.709 395 HD23 LEU 70 HD23 LEU 70 9.996 -0.777 -5.743 396 H VAL 71 H VAL 71 14.947 -4.398 -4.356 397 HA VAL 71 HA VAL 71 13.526 -6.757 -4.506 398 HB VAL 71 HB VAL 71 15.780 -7.790 -3.992 399 HG11 VAL 71 HG11 VAL 71 16.066 -5.676 -6.115 400 HG12 VAL 71 HG12 VAL 71 16.548 -7.389 -6.147 401 HG13 VAL 71 HG13 VAL 71 14.829 -6.946 -6.277 402 HG21 VAL 71 HG21 VAL 71 17.527 -5.692 -4.337 403 HG22 VAL 71 HG22 VAL 71 16.316 -4.999 -3.232 404 HG23 VAL 71 HG23 VAL 71 17.171 -6.496 -2.790 405 H LYS 72 H LYS 72 15.200 -5.235 -1.676 406 HA LYS 72 HA LYS 72 14.795 -7.219 0.156 407 HB2 LYS 72 HB2 LYS 72 16.011 -4.906 0.285 408 HB3 LYS 72 HB3 LYS 72 14.481 -4.323 0.907 409 HG2 LYS 72 HG2 LYS 72 15.960 -6.737 2.053 410 HG3 LYS 72 HG3 LYS 72 16.118 -5.111 2.689 411 HD2 LYS 72 HD2 LYS 72 14.312 -5.549 3.994 412 HD3 LYS 72 HD3 LYS 72 13.337 -5.474 2.540 413 HE2 LYS 72 HE2 LYS 72 12.784 -7.605 3.359 414 HE3 LYS 72 HE3 LYS 72 14.049 -7.994 2.211 415 HZ1 LYS 72 HZ1 LYS 72 15.477 -7.544 4.381 416 HZ2 LYS 72 HZ2 LYS 72 14.109 -8.099 5.080 417 HZ3 LYS 72 HZ3 LYS 72 14.898 -9.019 3.986 418 H LYS 73 H LYS 73 12.504 -4.683 -0.979 419 HA LYS 73 HA LYS 73 10.485 -5.435 0.868 420 HB2 LYS 73 HB2 LYS 73 10.793 -3.541 -1.394 421 HB3 LYS 73 HB3 LYS 73 9.159 -4.094 -1.086 422 HG2 LYS 73 HG2 LYS 73 9.647 -2.055 0.228 423 HG3 LYS 73 HG3 LYS 73 9.342 -3.413 1.292 424 HD2 LYS 73 HD2 LYS 73 11.856 -3.778 1.446 425 HD3 LYS 73 HD3 LYS 73 12.082 -2.312 0.513 426 HE2 LYS 73 HE2 LYS 73 10.636 -2.485 3.201 427 HE3 LYS 73 HE3 LYS 73 12.266 -1.886 2.966 428 HZ1 LYS 73 HZ1 LYS 73 11.455 0.055 2.360 429 HZ2 LYS 73 HZ2 LYS 73 10.478 -0.595 1.224 430 HZ3 LYS 73 HZ3 LYS 73 9.956 -0.454 2.765 431 H VAL 74 H VAL 74 11.572 -6.561 -2.301 432 HA VAL 74 HA VAL 74 9.158 -7.883 -2.976 433 HB VAL 74 HB VAL 74 12.021 -8.109 -3.906 434 HG11 VAL 74 HG11 VAL 74 10.155 -9.208 -5.798 435 HG12 VAL 74 HG12 VAL 74 11.567 -9.977 -5.034 436 HG13 VAL 74 HG13 VAL 74 9.976 -10.047 -4.238 437 HG21 VAL 74 HG21 VAL 74 10.417 -6.056 -4.340 438 HG22 VAL 74 HG22 VAL 74 11.456 -6.695 -5.636 439 HG23 VAL 74 HG23 VAL 74 9.732 -7.133 -5.581 440 H VAL 75 H VAL 75 12.367 -9.075 -1.742 441 HA VAL 75 HA VAL 75 11.600 -11.699 -1.391 442 HB VAL 75 HB VAL 75 13.869 -10.311 -1.138 443 HG11 VAL 75 HG11 VAL 75 14.652 -10.222 1.143 444 HG12 VAL 75 HG12 VAL 75 13.126 -9.312 1.031 445 HG13 VAL 75 HG13 VAL 75 13.138 -10.945 1.739 446 HG21 VAL 75 HG21 VAL 75 13.283 -12.888 -1.246 447 HG22 VAL 75 HG22 VAL 75 14.898 -12.332 -0.745 448 HG23 VAL 75 HG23 VAL 75 13.707 -12.829 0.482 449 H ALA 76 H ALA 76 11.172 -8.829 0.731 450 HA ALA 76 HA ALA 76 10.323 -10.181 3.004 451 HB1 ALA 76 HB1 ALA 76 9.609 -8.052 3.747 452 HB2 ALA 76 HB2 ALA 76 10.941 -7.698 2.620 453 HB3 ALA 76 HB3 ALA 76 9.253 -7.497 2.093 454 H VAL 77 H VAL 77 8.427 -8.824 0.221 455 HA VAL 77 HA VAL 77 5.941 -9.650 1.186 456 HB VAL 77 HB VAL 77 6.930 -8.180 -0.920 457 HG11 VAL 77 HG11 VAL 77 6.027 -9.139 -2.970 458 HG12 VAL 77 HG12 VAL 77 7.228 -10.243 -2.257 459 HG13 VAL 77 HG13 VAL 77 5.490 -10.587 -2.086 460 HG21 VAL 77 HG21 VAL 77 4.879 -7.299 -0.780 461 HG22 VAL 77 HG22 VAL 77 4.111 -8.823 -1.287 462 HG23 VAL 77 HG23 VAL 77 4.513 -8.556 0.427 463 H CYS 78 H CYS 78 8.348 -11.234 -0.998 464 HA CYS 78 HA CYS 78 6.867 -13.411 -1.716 465 HB2 CYS 78 HB2 CYS 78 9.284 -12.653 -2.383 466 HB3 CYS 78 HB3 CYS 78 9.796 -13.699 -1.073 467 HG CYS 78 HG CYS 78 10.053 -15.161 -3.120 468 H GLU 79 H GLU 79 9.011 -12.935 1.181 469 HA GLU 79 HA GLU 79 8.397 -15.458 2.244 470 HB2 GLU 79 HB2 GLU 79 9.653 -12.943 3.400 471 HB3 GLU 79 HB3 GLU 79 9.406 -14.377 4.377 472 HG2 GLU 79 HG2 GLU 79 10.751 -15.725 2.772 473 HG3 GLU 79 HG3 GLU 79 10.965 -14.318 1.750 474 HE2 GLU 79 HE2 GLU 79 13.802 -13.535 3.465 475 H GLU 80 H GLU 80 6.869 -12.273 2.348 476 HA GLU 80 HA GLU 80 5.394 -12.711 4.688 477 HB2 GLU 80 HB2 GLU 80 5.844 -10.467 3.663 478 HB3 GLU 80 HB3 GLU 80 4.779 -10.873 2.331 479 HG2 GLU 80 HG2 GLU 80 3.696 -9.496 4.181 480 HG3 GLU 80 HG3 GLU 80 2.843 -10.970 3.767 481 HE2 GLU 80 HE2 GLU 80 3.676 -9.585 6.824 482 H LEU 81 H LEU 81 5.143 -13.921 1.433 483 HA LEU 81 HA LEU 81 2.310 -14.417 1.595 484 HB2 LEU 81 HB2 LEU 81 4.468 -14.716 -0.418 485 HB3 LEU 81 HB3 LEU 81 3.125 -15.836 -0.536 486 HG LEU 81 HG LEU 81 3.078 -12.827 -0.762 487 HD11 LEU 81 HD11 LEU 81 2.491 -15.138 -2.593 488 HD12 LEU 81 HD12 LEU 81 1.764 -13.539 -2.881 489 HD13 LEU 81 HD13 LEU 81 3.534 -13.720 -2.853 490 HD21 LEU 81 HD21 LEU 81 0.865 -14.673 0.013 491 HD22 LEU 81 HD22 LEU 81 1.174 -12.984 0.482 492 HD23 LEU 81 HD23 LEU 81 0.503 -13.353 -1.125 493 H GLY 82 H GLY 82 5.277 -15.905 2.632 494 HA2 GLY 82 HA2 GLY 82 5.774 -18.065 3.212 495 HA3 GLY 82 HA3 GLY 82 4.400 -17.772 4.259 496 H ALA 83 H ALA 83 4.903 -18.524 0.729 497 HA ALA 83 HA ALA 83 3.091 -20.795 1.085 498 HB1 ALA 83 HB1 ALA 83 2.175 -18.476 0.020 499 HB2 ALA 83 HB2 ALA 83 2.852 -19.232 -1.442 500 HB3 ALA 83 HB3 ALA 83 1.604 -20.080 -0.498 501 H GLU 84 H GLU 84 3.834 -22.641 0.110 502 HA GLU 84 HA GLU 84 5.798 -22.317 -1.988 503 HB2 GLU 84 HB2 GLU 84 7.401 -23.817 -0.956 504 HB3 GLU 84 HB3 GLU 84 7.050 -22.533 0.183 505 HG2 GLU 84 HG2 GLU 84 6.749 -24.290 1.638 506 HG3 GLU 84 HG3 GLU 84 5.134 -24.296 0.958 507 HE2 GLU 84 HE2 GLU 84 5.261 -26.394 1.586 508 H GLU 85 H GLU 85 2.887 -23.224 -1.569 509 HA GLU 85 HA GLU 85 2.576 -24.964 -3.477 510 HB2 GLU 85 HB2 GLU 85 3.840 -26.391 -1.218 511 HB3 GLU 85 HB3 GLU 85 2.373 -27.166 -1.780 512 HG2 GLU 85 HG2 GLU 85 3.221 -27.475 -3.982 513 HG3 GLU 85 HG3 GLU 85 4.450 -26.241 -3.787 514 HE2 GLU 85 HE2 GLU 85 4.048 -29.730 -3.225 515 H CYS 86 H CYS 86 0.398 -25.957 -3.532 516 HA CYS 86 HA CYS 86 -1.281 -24.781 -1.449 517 HB2 CYS 86 HB2 CYS 86 -3.058 -24.685 -3.032 518 HB3 CYS 86 HB3 CYS 86 -1.636 -24.040 -3.828 519 H PHE 87 H PHE 87 -2.390 -26.167 -0.083 520 HA PHE 87 HA PHE 87 -1.991 -29.000 -0.513 521 HB2 PHE 87 HB2 PHE 87 -3.263 -27.271 1.693 522 HB3 PHE 87 HB3 PHE 87 -3.072 -29.007 1.829 523 HD1 PHE 87 HD2 PHE 87 -0.416 -29.573 0.934 524 HD2 PHE 87 HD1 PHE 87 -1.802 -26.210 3.119 525 HE1 PHE 87 HE2 PHE 87 1.882 -29.245 1.888 526 HE2 PHE 87 HE1 PHE 87 0.496 -25.882 4.073 527 HZ PHE 87 HZ PHE 87 2.311 -27.404 3.446 528 H SER 88 H SER 88 -4.326 -26.628 -1.305 529 HA SER 88 HA SER 88 -6.675 -27.961 -0.756 530 HB2 SER 88 HB2 SER 88 -5.805 -25.799 -2.640 531 HB3 SER 88 HB3 SER 88 -7.335 -26.573 -3.000 532 HG SER 88 HG SER 88 -8.253 -25.710 -1.232 533 H CYS 89 H CYS 89 -4.516 -28.006 -3.664 534 HA CYS 89 HA CYS 89 -6.128 -29.652 -5.216 535 HB2 CYS 89 HB2 CYS 89 -3.208 -28.942 -5.227 536 HB3 CYS 89 HB3 CYS 89 -3.773 -30.238 -6.263 537 H ASP 90 H ASP 90 -4.324 -30.220 -2.311 538 HA ASP 90 HA ASP 90 -4.177 -33.062 -2.888 539 HB2 ASP 90 HB2 ASP 90 -2.890 -31.253 -0.812 540 HB3 ASP 90 HB3 ASP 90 -2.921 -32.989 -0.575 541 HD2 ASP 90 HD2 ASP 90 -0.686 -30.972 -3.029 542 H PHE 91 H PHE 91 -6.125 -30.660 -1.425 543 HA PHE 91 HA PHE 91 -7.088 -32.428 0.682 544 HB2 PHE 91 HB2 PHE 91 -6.506 -29.860 0.852 545 HB3 PHE 91 HB3 PHE 91 -7.959 -29.588 -0.090 546 HD1 PHE 91 HD1 PHE 91 -6.772 -31.151 3.069 547 HD2 PHE 91 HD2 PHE 91 -10.032 -29.425 0.970 548 HE1 PHE 91 HE1 PHE 91 -8.143 -31.184 5.171 549 HE2 PHE 91 HE2 PHE 91 -11.403 -29.459 3.072 550 HZ PHE 91 HZ PHE 91 -10.442 -30.338 5.147 551 H ASP 92 H ASP 92 -8.657 -33.857 0.104 552 HA ASP 92 HA ASP 92 -10.068 -33.739 -2.221 553 HB2 ASP 92 HB2 ASP 92 -9.875 -35.743 -0.757 554 HB3 ASP 92 HB3 ASP 92 -10.878 -34.971 0.455 555 HD2 ASP 92 HD2 ASP 92 -12.711 -35.569 -2.987 Start of MODEL 12 1 H SER 16 H SER 16 0.283 1.123 -0.490 2 HA SER 16 HA SER 16 0.331 1.663 -3.325 3 HB2 SER 16 HB2 SER 16 2.826 1.356 -3.037 4 HB3 SER 16 HB3 SER 16 2.143 2.654 -2.079 5 HG SER 16 HG SER 16 2.296 0.064 -0.888 6 H GLU 17 H GLU 17 0.061 0.016 -4.783 7 HA GLU 17 HA GLU 17 0.499 -2.676 -3.771 8 HB2 GLU 17 HB2 GLU 17 -0.880 -3.278 -5.896 9 HB3 GLU 17 HB3 GLU 17 -1.723 -2.555 -4.540 10 HG2 GLU 17 HG2 GLU 17 -2.309 -1.525 -6.777 11 HG3 GLU 17 HG3 GLU 17 -1.734 -0.368 -5.593 12 HE2 GLU 17 HE2 GLU 17 0.830 -1.918 -8.142 13 H ALA 18 H ALA 18 2.121 -0.295 -5.421 14 HA ALA 18 HA ALA 18 3.029 -1.417 -7.755 15 HB1 ALA 18 HB1 ALA 18 4.664 0.243 -7.680 16 HB2 ALA 18 HB2 ALA 18 3.436 0.903 -6.573 17 HB3 ALA 18 HB3 ALA 18 4.882 0.096 -5.919 18 H VAL 19 H VAL 19 4.368 -1.771 -4.399 19 HA VAL 19 HA VAL 19 6.487 -3.406 -5.043 20 HB VAL 19 HB VAL 19 6.422 -2.498 -2.906 21 HG11 VAL 19 HG11 VAL 19 4.527 -1.991 -1.845 22 HG12 VAL 19 HG12 VAL 19 3.617 -2.852 -3.109 23 HG13 VAL 19 HG13 VAL 19 4.139 -3.716 -1.643 24 HG21 VAL 19 HG21 VAL 19 7.331 -4.730 -2.822 25 HG22 VAL 19 HG22 VAL 19 6.383 -4.450 -1.342 26 HG23 VAL 19 HG23 VAL 19 5.705 -5.437 -2.660 27 H TYR 20 H TYR 20 3.126 -4.356 -4.037 28 HA TYR 20 HA TYR 20 3.382 -7.056 -4.157 29 HB2 TYR 20 HB2 TYR 20 1.364 -4.954 -4.283 30 HB3 TYR 20 HB3 TYR 20 0.930 -6.159 -5.479 31 HD1 TYR 20 HD2 TYR 20 2.671 -6.966 -2.307 32 HD2 TYR 20 HD1 TYR 20 -1.064 -6.937 -4.393 33 HE1 TYR 20 HE2 TYR 20 1.634 -8.406 -0.486 34 HE2 TYR 20 HE1 TYR 20 -2.089 -8.376 -2.565 35 HH TYR 20 HH TYR 20 -1.600 -8.743 -0.080 36 H ILE 21 H ILE 21 2.917 -4.763 -6.902 37 HA ILE 21 HA ILE 21 2.562 -6.788 -8.831 38 HB ILE 21 HB ILE 21 2.982 -3.859 -8.778 39 HG12 ILE 21 HG12 ILE 21 0.741 -4.822 -8.757 40 HG13 ILE 21 HG13 ILE 21 1.012 -3.889 -10.216 41 HG21 ILE 21 HG21 ILE 21 3.903 -5.601 -11.026 42 HG22 ILE 21 HG22 ILE 21 3.077 -4.071 -11.407 43 HG23 ILE 21 HG23 ILE 21 4.560 -4.061 -10.422 44 HD11 ILE 21 HD11 ILE 21 0.481 -6.774 -9.909 45 HD12 ILE 21 HD12 ILE 21 0.277 -5.729 -11.335 46 HD13 ILE 21 HD13 ILE 21 1.870 -6.434 -10.969 47 H ALA 22 H ALA 22 5.400 -5.120 -7.427 48 HA ALA 22 HA ALA 22 7.261 -6.011 -9.323 49 HB1 ALA 22 HB1 ALA 22 8.905 -5.345 -7.649 50 HB2 ALA 22 HB2 ALA 22 7.581 -4.156 -7.678 51 HB3 ALA 22 HB3 ALA 22 7.662 -5.365 -6.375 52 H ILE 23 H ILE 23 5.786 -7.493 -6.425 53 HA ILE 23 HA ILE 23 7.558 -9.790 -6.714 54 HB ILE 23 HB ILE 23 7.498 -9.294 -4.504 55 HG12 ILE 23 HG12 ILE 23 6.447 -11.618 -5.088 56 HG13 ILE 23 HG13 ILE 23 6.480 -11.049 -3.431 57 HG21 ILE 23 HG21 ILE 23 6.132 -7.411 -4.384 58 HG22 ILE 23 HG22 ILE 23 4.700 -8.286 -4.978 59 HG23 ILE 23 HG23 ILE 23 5.310 -8.590 -3.334 60 HD11 ILE 23 HD11 ILE 23 4.248 -11.884 -3.865 61 HD12 ILE 23 HD12 ILE 23 4.137 -10.109 -3.785 62 HD13 ILE 23 HD13 ILE 23 4.124 -10.931 -5.364 63 H GLU 24 H GLU 24 4.578 -8.602 -7.864 64 HA GLU 24 HA GLU 24 3.556 -11.312 -8.147 65 HB2 GLU 24 HB2 GLU 24 2.243 -8.582 -8.192 66 HB3 GLU 24 HB3 GLU 24 1.443 -9.950 -8.938 67 HG2 GLU 24 HG2 GLU 24 1.759 -11.217 -6.730 68 HG3 GLU 24 HG3 GLU 24 2.318 -9.713 -6.024 69 HE2 GLU 24 HE2 GLU 24 -1.524 -9.876 -7.228 70 H ALA 25 H ALA 25 5.590 -9.294 -9.731 71 HA ALA 25 HA ALA 25 4.455 -9.193 -12.323 72 HB1 ALA 25 HB1 ALA 25 6.541 -8.268 -12.953 73 HB2 ALA 25 HB2 ALA 25 6.324 -7.756 -11.262 74 HB3 ALA 25 HB3 ALA 25 7.409 -9.113 -11.648 75 H GLY 26 H GLY 26 5.374 -11.807 -10.440 76 HA2 GLY 26 HA2 GLY 26 4.992 -13.925 -11.703 77 HA3 GLY 26 HA3 GLY 26 6.238 -13.367 -12.802 78 H THR 27 H THR 27 6.868 -12.284 -9.600 79 HA THR 27 HA THR 27 9.234 -13.734 -9.372 80 HB THR 27 HB THR 27 7.552 -11.881 -7.748 81 HG1 THR 27 HG1 THR 27 9.938 -11.239 -7.415 82 HG21 THR 27 HG21 THR 27 8.801 -14.167 -6.453 83 HG22 THR 27 HG22 THR 27 9.733 -12.698 -6.071 84 HG23 THR 27 HG23 THR 27 7.995 -12.773 -5.693 85 H LEU 28 H LEU 28 5.907 -14.541 -8.436 86 HA LEU 28 HA LEU 28 6.903 -17.188 -7.723 87 HB2 LEU 28 HB2 LEU 28 5.318 -17.223 -5.791 88 HB3 LEU 28 HB3 LEU 28 6.751 -16.234 -5.593 89 HG LEU 28 HG LEU 28 4.227 -14.926 -6.542 90 HD11 LEU 28 HD11 LEU 28 3.695 -16.445 -4.567 91 HD12 LEU 28 HD12 LEU 28 4.742 -15.378 -3.602 92 HD13 LEU 28 HD13 LEU 28 3.290 -14.720 -4.393 93 HD21 LEU 28 HD21 LEU 28 5.114 -12.989 -5.462 94 HD22 LEU 28 HD22 LEU 28 6.379 -13.945 -4.653 95 HD23 LEU 28 HD23 LEU 28 6.422 -13.725 -6.419 96 H ALA 29 H ALA 29 4.847 -18.705 -7.449 97 HA ALA 29 HA ALA 29 2.877 -17.893 -9.471 98 HB1 ALA 29 HB1 ALA 29 4.714 -20.241 -9.388 99 HB2 ALA 29 HB2 ALA 29 3.032 -20.570 -9.868 100 HB3 ALA 29 HB3 ALA 29 4.005 -19.392 -10.782 101 H GLU 30 H GLU 30 0.777 -19.013 -9.245 102 HA GLU 30 HA GLU 30 0.414 -20.379 -6.738 103 HB2 GLU 30 HB2 GLU 30 -1.427 -18.896 -6.013 104 HB3 GLU 30 HB3 GLU 30 0.085 -18.017 -6.116 105 HG2 GLU 30 HG2 GLU 30 -0.776 -16.590 -7.655 106 HG3 GLU 30 HG3 GLU 30 -1.238 -17.918 -8.701 107 HE2 GLU 30 HE2 GLU 30 -4.337 -18.362 -7.222 108 H CYS 31 H CYS 31 -1.413 -21.784 -6.749 109 HA CYS 31 HA CYS 31 -2.180 -22.731 -9.221 110 HB2 CYS 31 HB2 CYS 31 -2.465 -23.560 -6.602 111 HB3 CYS 31 HB3 CYS 31 -4.123 -23.235 -7.066 112 H GLU 32 H GLU 32 -3.686 -22.013 -10.703 113 HA GLU 32 HA GLU 32 -5.152 -19.662 -10.024 114 HB2 GLU 32 HB2 GLU 32 -4.714 -21.273 -12.548 115 HB3 GLU 32 HB3 GLU 32 -5.984 -20.066 -12.501 116 HG2 GLU 32 HG2 GLU 32 -4.245 -18.710 -13.210 117 HG3 GLU 32 HG3 GLU 32 -4.024 -18.536 -11.480 118 HE2 GLU 32 HE2 GLU 32 -2.369 -20.716 -14.074 119 H VAL 33 H VAL 33 -5.649 -22.909 -9.444 120 HA VAL 33 HA VAL 33 -8.549 -22.688 -9.845 121 HB VAL 33 HB VAL 33 -8.254 -24.647 -10.841 122 HG11 VAL 33 HG11 VAL 33 -6.144 -25.989 -10.688 123 HG12 VAL 33 HG12 VAL 33 -5.896 -24.301 -11.195 124 HG13 VAL 33 HG13 VAL 33 -5.522 -24.793 -9.525 125 HG21 VAL 33 HG21 VAL 33 -7.767 -25.434 -7.964 126 HG22 VAL 33 HG22 VAL 33 -9.252 -25.592 -8.932 127 HG23 VAL 33 HG23 VAL 33 -7.855 -26.642 -9.267 128 H HIS 34 H HIS 34 -6.066 -22.340 -7.560 129 HA HIS 34 HA HIS 34 -8.004 -22.825 -5.423 130 HB2 HIS 34 HB2 HIS 34 -5.089 -23.272 -4.914 131 HB3 HIS 34 HB3 HIS 34 -6.483 -23.932 -4.083 132 HD1 HIS 34 HD1 HIS 34 -5.529 -24.137 -7.799 133 HD2 HIS 34 HD2 HIS 34 -6.336 -26.622 -4.517 134 HE1 HIS 34 HE1 HIS 34 -5.453 -26.531 -8.679 135 H GLU 35 H GLU 35 -8.602 -20.687 -5.111 136 HA GLU 35 HA GLU 35 -6.674 -18.631 -5.212 137 HB2 GLU 35 HB2 GLU 35 -9.527 -18.621 -4.128 138 HB3 GLU 35 HB3 GLU 35 -8.563 -17.189 -4.429 139 HG2 GLU 35 HG2 GLU 35 -9.433 -19.238 -6.521 140 HG3 GLU 35 HG3 GLU 35 -10.083 -17.621 -6.331 141 HE2 GLU 35 HE2 GLU 35 -6.558 -18.640 -7.672 142 H GLY 36 H GLY 36 -5.369 -17.841 -3.601 143 HA2 GLY 36 HA2 GLY 36 -5.108 -17.157 -1.332 144 HA3 GLY 36 HA3 GLY 36 -6.068 -18.530 -0.817 145 H THR 37 H THR 37 -4.615 -20.232 -2.993 146 HA THR 37 HA THR 37 -2.340 -20.876 -1.275 147 HB THR 37 HB THR 37 -2.935 -22.639 -3.570 148 HG1 THR 37 HG1 THR 37 -5.106 -22.097 -3.315 149 HG21 THR 37 HG21 THR 37 -1.836 -23.057 -1.137 150 HG22 THR 37 HG22 THR 37 -3.538 -23.330 -0.693 151 HG23 THR 37 HG23 THR 37 -2.775 -24.329 -1.954 152 H TYR 38 H TYR 38 -0.362 -20.158 -1.716 153 HA TYR 38 HA TYR 38 0.276 -19.702 -4.550 154 HB2 TYR 38 HB2 TYR 38 0.459 -18.020 -2.035 155 HB3 TYR 38 HB3 TYR 38 1.826 -17.903 -3.125 156 HD1 TYR 38 HD1 TYR 38 -1.904 -18.054 -3.597 157 HD2 TYR 38 HD2 TYR 38 1.751 -15.986 -4.417 158 HE1 TYR 38 HE1 TYR 38 -3.170 -16.362 -5.011 159 HE2 TYR 38 HE2 TYR 38 0.473 -14.302 -5.829 160 HH TYR 38 HH TYR 38 -2.356 -13.593 -5.662 161 H PHE 39 H PHE 39 2.853 -19.305 -4.651 162 HA PHE 39 HA PHE 39 4.403 -20.676 -2.747 163 HB2 PHE 39 HB2 PHE 39 4.796 -22.738 -3.978 164 HB3 PHE 39 HB3 PHE 39 3.056 -22.532 -3.987 165 HD1 PHE 39 HD1 PHE 39 1.883 -21.919 -6.036 166 HD2 PHE 39 HD2 PHE 39 6.091 -22.468 -6.013 167 HE1 PHE 39 HE1 PHE 39 1.881 -22.041 -8.543 168 HE2 PHE 39 HE2 PHE 39 6.089 -22.590 -8.520 169 HZ PHE 39 HZ PHE 39 3.983 -22.375 -9.755 170 H SER 40 H SER 40 6.280 -19.549 -2.871 171 HA SER 40 HA SER 40 6.894 -18.202 -5.308 172 HB2 SER 40 HB2 SER 40 7.237 -17.099 -3.123 173 HB3 SER 40 HB3 SER 40 8.366 -18.349 -2.641 174 HG SER 40 HG SER 40 8.737 -16.153 -4.367 175 H ASP 41 H ASP 41 8.954 -18.448 -6.486 176 HA ASP 41 HA ASP 41 9.543 -20.886 -7.291 177 HB2 ASP 41 HB2 ASP 41 11.900 -19.993 -7.792 178 HB3 ASP 41 HB3 ASP 41 10.565 -19.040 -8.409 179 HD2 ASP 41 HD2 ASP 41 12.651 -17.735 -8.326 180 H SER 42 H SER 42 9.719 -22.575 -5.728 181 HA SER 42 HA SER 42 11.236 -22.238 -3.387 182 HB2 SER 42 HB2 SER 42 9.325 -23.796 -3.523 183 HB3 SER 42 HB3 SER 42 10.153 -24.749 -4.739 184 HG SER 42 HG SER 42 11.022 -24.345 -2.003 185 H GLY 43 H GLY 43 13.384 -22.792 -2.944 186 HA2 GLY 43 HA2 GLY 43 15.288 -24.167 -3.394 187 HA3 GLY 43 HA3 GLY 43 14.885 -24.143 -5.099 188 H ASP 44 H ASP 44 14.131 -21.203 -5.011 189 HA ASP 44 HA ASP 44 16.687 -20.019 -4.385 190 HB2 ASP 44 HB2 ASP 44 16.585 -18.823 -6.673 191 HB3 ASP 44 HB3 ASP 44 17.099 -20.498 -6.677 192 HD2 ASP 44 HD2 ASP 44 15.962 -21.011 -9.011 193 H ILE 45 H ILE 45 15.350 -18.948 -2.708 194 HA ILE 45 HA ILE 45 13.022 -17.499 -3.447 195 HB ILE 45 HB ILE 45 14.674 -17.878 -0.999 196 HG12 ILE 45 HG12 ILE 45 12.665 -19.301 -1.836 197 HG13 ILE 45 HG13 ILE 45 12.784 -18.882 -0.138 198 HG21 ILE 45 HG21 ILE 45 12.772 -16.185 -0.057 199 HG22 ILE 45 HG22 ILE 45 14.446 -15.714 -0.438 200 HG23 ILE 45 HG23 ILE 45 13.150 -15.428 -1.624 201 HD11 ILE 45 HD11 ILE 45 11.388 -16.794 -1.669 202 HD12 ILE 45 HD12 ILE 45 10.593 -18.381 -1.810 203 HD13 ILE 45 HD13 ILE 45 10.868 -17.663 -0.205 204 H SER 46 H SER 46 16.508 -16.833 -3.266 205 HA SER 46 HA SER 46 16.197 -14.036 -3.323 206 HB2 SER 46 HB2 SER 46 18.681 -14.165 -4.058 207 HB3 SER 46 HB3 SER 46 18.267 -14.790 -2.474 208 HG SER 46 HG SER 46 19.674 -16.202 -3.814 209 H GLU 47 H GLU 47 16.178 -16.634 -5.712 210 HA GLU 47 HA GLU 47 16.968 -15.220 -7.936 211 HB2 GLU 47 HB2 GLU 47 16.808 -17.553 -8.206 212 HB3 GLU 47 HB3 GLU 47 15.218 -17.638 -7.472 213 HG2 GLU 47 HG2 GLU 47 15.045 -17.968 -9.911 214 HG3 GLU 47 HG3 GLU 47 14.222 -16.493 -9.444 215 HE2 GLU 47 HE2 GLU 47 17.362 -17.535 -10.311 216 H ALA 48 H ALA 48 13.877 -15.304 -6.165 217 HA ALA 48 HA ALA 48 12.346 -14.080 -8.211 218 HB1 ALA 48 HB1 ALA 48 11.920 -15.290 -5.705 219 HB2 ALA 48 HB2 ALA 48 11.395 -13.602 -5.498 220 HB3 ALA 48 HB3 ALA 48 10.684 -14.603 -6.787 221 H GLU 49 H GLU 49 14.396 -12.937 -5.507 222 HA GLU 49 HA GLU 49 13.500 -10.307 -5.559 223 HB2 GLU 49 HB2 GLU 49 14.973 -10.067 -3.847 224 HB3 GLU 49 HB3 GLU 49 15.236 -11.793 -4.002 225 HG2 GLU 49 HG2 GLU 49 17.110 -11.367 -5.604 226 HG3 GLU 49 HG3 GLU 49 16.843 -9.641 -5.461 227 HE2 GLU 49 HE2 GLU 49 19.058 -11.755 -3.284 228 H GLU 50 H GLU 50 16.181 -12.015 -7.274 229 HA GLU 50 HA GLU 50 17.117 -9.655 -8.490 230 HB2 GLU 50 HB2 GLU 50 18.787 -10.995 -9.326 231 HB3 GLU 50 HB3 GLU 50 18.203 -12.092 -8.092 232 HG2 GLU 50 HG2 GLU 50 16.692 -13.171 -9.789 233 HG3 GLU 50 HG3 GLU 50 17.323 -12.094 -11.019 234 HE2 GLU 50 HE2 GLU 50 18.620 -13.210 -12.176 235 H LEU 51 H LEU 51 14.956 -12.367 -9.497 236 HA LEU 51 HA LEU 51 14.654 -11.594 -12.150 237 HB2 LEU 51 HB2 LEU 51 13.875 -13.679 -11.832 238 HB3 LEU 51 HB3 LEU 51 13.278 -13.345 -10.218 239 HG LEU 51 HG LEU 51 11.598 -13.919 -12.097 240 HD11 LEU 51 HD11 LEU 51 9.879 -12.767 -10.984 241 HD12 LEU 51 HD12 LEU 51 11.142 -13.018 -9.754 242 HD13 LEU 51 HD13 LEU 51 10.953 -11.424 -10.525 243 HD21 LEU 51 HD21 LEU 51 12.784 -11.709 -13.314 244 HD22 LEU 51 HD22 LEU 51 11.295 -12.544 -13.818 245 HD23 LEU 51 HD23 LEU 51 11.201 -11.119 -12.756 246 H ALA 52 H ALA 52 12.951 -10.575 -9.147 247 HA ALA 52 HA ALA 52 11.041 -8.999 -10.522 248 HB1 ALA 52 HB1 ALA 52 11.936 -9.467 -7.704 249 HB2 ALA 52 HB2 ALA 52 11.034 -7.969 -8.039 250 HB3 ALA 52 HB3 ALA 52 10.306 -9.550 -8.414 251 H ARG 53 H ARG 53 14.256 -8.391 -9.006 252 HA ARG 53 HA ARG 53 14.239 -5.686 -9.097 253 HB2 ARG 53 HB2 ARG 53 16.395 -5.982 -8.406 254 HB3 ARG 53 HB3 ARG 53 16.121 -7.703 -8.588 255 HG2 ARG 53 HG2 ARG 53 18.084 -7.232 -9.880 256 HG3 ARG 53 HG3 ARG 53 16.799 -7.449 -11.051 257 HD2 ARG 53 HD2 ARG 53 17.056 -5.328 -11.830 258 HD3 ARG 53 HD3 ARG 53 16.880 -4.657 -10.220 259 HE ARG 53 HE ARG 53 19.506 -5.883 -10.737 260 HH11 ARG 53 HH22 ARG 53 17.592 -2.932 -10.842 261 HH12 ARG 53 HH21 ARG 53 18.971 -1.885 -10.820 262 HH21 ARG 53 HH12 ARG 53 21.326 -4.502 -10.707 263 HH22 ARG 53 HH11 ARG 53 21.110 -2.784 -10.742 264 H GLU 54 H GLU 54 14.875 -8.066 -11.714 265 HA GLU 54 HA GLU 54 15.674 -6.039 -13.541 266 HB2 GLU 54 HB2 GLU 54 15.087 -9.010 -13.802 267 HB3 GLU 54 HB3 GLU 54 15.459 -8.023 -15.202 268 HG2 GLU 54 HG2 GLU 54 17.594 -7.280 -14.012 269 HG3 GLU 54 HG3 GLU 54 17.236 -8.449 -12.756 270 HE2 GLU 54 HE2 GLU 54 17.805 -11.190 -14.963 271 H LYS 55 H LYS 55 12.707 -7.903 -12.772 272 HA LYS 55 HA LYS 55 11.217 -7.265 -15.010 273 HB2 LYS 55 HB2 LYS 55 10.777 -8.851 -12.967 274 HB3 LYS 55 HB3 LYS 55 9.977 -7.453 -12.278 275 HG2 LYS 55 HG2 LYS 55 8.366 -8.862 -13.529 276 HG3 LYS 55 HG3 LYS 55 8.501 -7.274 -14.258 277 HD2 LYS 55 HD2 LYS 55 9.724 -8.073 -16.114 278 HD3 LYS 55 HD3 LYS 55 10.301 -9.490 -15.259 279 HE2 LYS 55 HE2 LYS 55 7.890 -10.345 -15.217 280 HE3 LYS 55 HE3 LYS 55 7.455 -9.001 -16.255 281 HZ1 LYS 55 HZ1 LYS 55 9.494 -11.015 -16.909 282 HZ2 LYS 55 HZ2 LYS 55 7.967 -11.005 -17.489 283 HZ3 LYS 55 HZ3 LYS 55 8.998 -9.802 -17.884 284 H PHE 56 H PHE 56 11.484 -5.504 -11.848 285 HA PHE 56 HA PHE 56 9.874 -3.362 -12.791 286 HB2 PHE 56 HB2 PHE 56 10.121 -2.688 -10.548 287 HB3 PHE 56 HB3 PHE 56 10.635 -4.353 -10.364 288 HD1 PHE 56 HD1 PHE 56 12.131 -1.058 -11.308 289 HD2 PHE 56 HD2 PHE 56 12.589 -4.717 -9.207 290 HE1 PHE 56 HE1 PHE 56 14.349 -0.277 -10.431 291 HE2 PHE 56 HE2 PHE 56 14.808 -3.935 -8.330 292 HZ PHE 56 HZ PHE 56 15.661 -1.725 -8.953 293 H GLU 57 H GLU 57 13.409 -3.976 -12.434 294 HA GLU 57 HA GLU 57 14.195 -1.379 -12.998 295 HB2 GLU 57 HB2 GLU 57 15.734 -2.965 -11.989 296 HB3 GLU 57 HB3 GLU 57 15.605 -4.054 -13.356 297 HG2 GLU 57 HG2 GLU 57 16.554 -2.176 -14.821 298 HG3 GLU 57 HG3 GLU 57 16.860 -1.272 -13.351 299 HE2 GLU 57 HE2 GLU 57 19.469 -2.119 -14.429 300 H LYS 58 H LYS 58 12.924 -3.936 -15.020 301 HA LYS 58 HA LYS 58 13.677 -2.369 -17.390 302 HB2 LYS 58 HB2 LYS 58 14.801 -4.555 -17.324 303 HB3 LYS 58 HB3 LYS 58 13.255 -5.364 -17.165 304 HG2 LYS 58 HG2 LYS 58 14.269 -5.202 -19.547 305 HG3 LYS 58 HG3 LYS 58 12.575 -4.792 -19.368 306 HD2 LYS 58 HD2 LYS 58 12.984 -2.454 -19.544 307 HD3 LYS 58 HD3 LYS 58 14.679 -2.621 -19.133 308 HE2 LYS 58 HE2 LYS 58 13.321 -3.415 -21.744 309 HE3 LYS 58 HE3 LYS 58 14.562 -2.199 -21.517 310 HZ1 LYS 58 HZ1 LYS 58 14.824 -5.080 -21.558 311 HZ2 LYS 58 HZ2 LYS 58 15.802 -3.938 -22.194 312 HZ3 LYS 58 HZ3 LYS 58 15.848 -4.252 -20.592 313 H GLY 59 H GLY 59 11.305 -2.480 -15.296 314 HA2 GLY 59 HA2 GLY 59 9.202 -2.511 -17.374 315 HA3 GLY 59 HA3 GLY 59 8.965 -3.245 -15.800 316 H GLU 60 H GLU 60 7.946 -1.997 -14.297 317 HA GLU 60 HA GLU 60 8.334 0.883 -14.555 318 HB2 GLU 60 HB2 GLU 60 5.994 1.220 -13.873 319 HB3 GLU 60 HB3 GLU 60 6.068 0.237 -15.322 320 HG2 GLU 60 HG2 GLU 60 6.049 -1.806 -13.647 321 HG3 GLU 60 HG3 GLU 60 5.456 -0.639 -12.482 322 HE2 GLU 60 HE2 GLU 60 3.023 -1.135 -12.599 323 H VAL 61 H VAL 61 7.807 2.070 -12.413 324 HA VAL 61 HA VAL 61 8.407 0.351 -10.118 325 HB VAL 61 HB VAL 61 9.814 2.452 -9.396 326 HG11 VAL 61 HG11 VAL 61 11.133 0.660 -11.424 327 HG12 VAL 61 HG12 VAL 61 11.744 1.240 -9.856 328 HG13 VAL 61 HG13 VAL 61 10.486 -0.018 -9.911 329 HG21 VAL 61 HG21 VAL 61 9.840 2.619 -12.423 330 HG22 VAL 61 HG22 VAL 61 9.408 3.893 -11.258 331 HG23 VAL 61 HG23 VAL 61 11.095 3.340 -11.387 332 H SER 62 H SER 62 8.280 2.068 -8.058 333 HA SER 62 HA SER 62 5.563 3.003 -8.293 334 HB2 SER 62 HB2 SER 62 6.654 1.549 -6.353 335 HB3 SER 62 HB3 SER 62 7.181 3.104 -5.740 336 HG SER 62 HG SER 62 5.169 2.673 -4.803 337 H ASN 63 H ASN 63 8.642 4.221 -6.762 338 HA ASN 63 HA ASN 63 8.361 6.703 -8.086 339 HB2 ASN 63 HB2 ASN 63 8.403 7.897 -5.685 340 HB3 ASN 63 HB3 ASN 63 6.879 7.489 -6.448 341 HD21 ASN 63 HD21 ASN 63 5.493 6.259 -5.407 342 HD22 ASN 63 HD22 ASN 63 5.804 5.311 -3.992 343 H PHE 64 H PHE 64 10.561 6.691 -8.666 344 HA PHE 64 HA PHE 64 12.761 6.325 -8.483 345 HB2 PHE 64 HB2 PHE 64 12.060 8.657 -7.470 346 HB3 PHE 64 HB3 PHE 64 12.349 7.933 -5.901 347 HD1 PHE 64 HD2 PHE 64 14.692 6.301 -7.678 348 HD2 PHE 64 HD1 PHE 64 13.827 10.273 -6.458 349 HE1 PHE 64 HE2 PHE 64 17.126 6.887 -7.856 350 HE2 PHE 64 HE1 PHE 64 16.261 10.858 -6.636 351 HZ PHE 64 HZ PHE 64 17.882 9.158 -7.333 352 H ASP 65 H ASP 65 11.261 4.165 -7.215 353 HA ASP 65 HA ASP 65 12.168 3.611 -4.678 354 HB2 ASP 65 HB2 ASP 65 11.514 1.290 -5.162 355 HB3 ASP 65 HB3 ASP 65 10.328 2.395 -5.827 356 HD2 ASP 65 HD2 ASP 65 10.372 -0.015 -7.897 357 H ASP 66 H ASP 66 13.710 1.631 -4.189 358 HA ASP 66 HA ASP 66 16.047 1.965 -5.885 359 HB2 ASP 66 HB2 ASP 66 15.615 1.318 -2.965 360 HB3 ASP 66 HB3 ASP 66 17.075 0.726 -3.734 361 HD2 ASP 66 HD2 ASP 66 15.386 3.719 -3.045 362 H VAL 67 H VAL 67 17.367 -0.059 -6.290 363 HA VAL 67 HA VAL 67 15.711 -2.222 -7.023 364 HB VAL 67 HB VAL 67 17.619 -1.694 -8.326 365 HG11 VAL 67 HG11 VAL 67 19.127 -0.570 -6.957 366 HG12 VAL 67 HG12 VAL 67 19.112 -1.844 -5.714 367 HG13 VAL 67 HG13 VAL 67 19.962 -2.114 -7.255 368 HG21 VAL 67 HG21 VAL 67 18.240 -4.252 -6.811 369 HG22 VAL 67 HG22 VAL 67 17.048 -4.098 -8.124 370 HG23 VAL 67 HG23 VAL 67 18.776 -3.831 -8.454 371 H GLU 68 H GLU 68 17.868 -1.519 -4.244 372 HA GLU 68 HA GLU 68 17.789 -4.132 -3.243 373 HB2 GLU 68 HB2 GLU 68 19.377 -2.075 -2.715 374 HB3 GLU 68 HB3 GLU 68 18.192 -1.710 -1.477 375 HG2 GLU 68 HG2 GLU 68 19.327 -4.516 -1.723 376 HG3 GLU 68 HG3 GLU 68 20.231 -3.270 -0.884 377 HE2 GLU 68 HE2 GLU 68 18.793 -2.225 1.016 378 H GLU 69 H GLU 69 15.692 -1.268 -2.931 379 HA GLU 69 HA GLU 69 14.264 -2.336 -0.728 380 HB2 GLU 69 HB2 GLU 69 14.564 0.158 -1.479 381 HB3 GLU 69 HB3 GLU 69 13.238 -0.163 -2.578 382 HG2 GLU 69 HG2 GLU 69 12.132 0.648 -0.655 383 HG3 GLU 69 HG3 GLU 69 11.972 -1.089 -0.487 384 HE2 GLU 69 HE2 GLU 69 14.996 -1.147 1.252 385 H LEU 70 H LEU 70 14.059 -2.469 -4.269 386 HA LEU 70 HA LEU 70 11.364 -3.399 -4.314 387 HB2 LEU 70 HB2 LEU 70 13.526 -2.832 -6.236 388 HB3 LEU 70 HB3 LEU 70 12.438 -4.121 -6.710 389 HG LEU 70 HG LEU 70 11.910 -1.746 -7.502 390 HD11 LEU 70 HD11 LEU 70 9.452 -2.659 -6.173 391 HD12 LEU 70 HD12 LEU 70 9.823 -2.452 -7.901 392 HD13 LEU 70 HD13 LEU 70 10.328 -3.933 -7.054 393 HD21 LEU 70 HD21 LEU 70 10.582 -0.365 -5.939 394 HD22 LEU 70 HD22 LEU 70 11.006 -1.485 -4.622 395 HD23 LEU 70 HD23 LEU 70 12.280 -0.546 -5.436 396 H VAL 71 H VAL 71 14.620 -4.943 -4.762 397 HA VAL 71 HA VAL 71 13.603 -7.539 -4.995 398 HB VAL 71 HB VAL 71 15.955 -8.181 -4.439 399 HG11 VAL 71 HG11 VAL 71 16.393 -6.069 -6.429 400 HG12 VAL 71 HG12 VAL 71 16.486 -7.839 -6.594 401 HG13 VAL 71 HG13 VAL 71 14.913 -7.015 -6.717 402 HG21 VAL 71 HG21 VAL 71 17.126 -6.764 -3.160 403 HG22 VAL 71 HG22 VAL 71 17.333 -5.775 -4.625 404 HG23 VAL 71 HG23 VAL 71 16.010 -5.417 -3.489 405 H LYS 72 H LYS 72 14.562 -5.517 -2.188 406 HA LYS 72 HA LYS 72 14.384 -7.632 -0.319 407 HB2 LYS 72 HB2 LYS 72 15.732 -5.626 0.066 408 HB3 LYS 72 HB3 LYS 72 14.296 -4.623 0.046 409 HG2 LYS 72 HG2 LYS 72 13.500 -6.391 1.935 410 HG3 LYS 72 HG3 LYS 72 15.231 -6.564 2.148 411 HD2 LYS 72 HD2 LYS 72 13.839 -3.849 2.118 412 HD3 LYS 72 HD3 LYS 72 14.095 -4.765 3.590 413 HE2 LYS 72 HE2 LYS 72 16.552 -4.756 3.196 414 HE3 LYS 72 HE3 LYS 72 16.323 -3.899 1.684 415 HZ1 LYS 72 HZ1 LYS 72 14.989 -2.392 3.471 416 HZ2 LYS 72 HZ2 LYS 72 16.283 -2.890 4.334 417 HZ3 LYS 72 HZ3 LYS 72 16.499 -2.094 2.925 418 H LYS 73 H LYS 73 12.137 -4.990 -1.361 419 HA LYS 73 HA LYS 73 10.085 -5.682 0.396 420 HB2 LYS 73 HB2 LYS 73 10.168 -4.186 -2.227 421 HB3 LYS 73 HB3 LYS 73 8.669 -4.436 -1.356 422 HG2 LYS 73 HG2 LYS 73 10.994 -3.416 0.249 423 HG3 LYS 73 HG3 LYS 73 10.300 -2.304 -0.914 424 HD2 LYS 73 HD2 LYS 73 8.732 -1.829 0.663 425 HD3 LYS 73 HD3 LYS 73 8.032 -3.394 0.299 426 HE2 LYS 73 HE2 LYS 73 8.360 -3.670 2.581 427 HE3 LYS 73 HE3 LYS 73 9.907 -4.264 2.012 428 HZ1 LYS 73 HZ1 LYS 73 10.711 -1.941 2.273 429 HZ2 LYS 73 HZ2 LYS 73 9.312 -1.582 3.035 430 HZ3 LYS 73 HZ3 LYS 73 10.328 -2.691 3.673 431 H VAL 74 H VAL 74 11.150 -7.024 -2.716 432 HA VAL 74 HA VAL 74 8.750 -8.476 -3.179 433 HB VAL 74 HB VAL 74 11.558 -8.663 -4.278 434 HG11 VAL 74 HG11 VAL 74 9.130 -9.985 -5.502 435 HG12 VAL 74 HG12 VAL 74 10.851 -10.235 -5.882 436 HG13 VAL 74 HG13 VAL 74 10.182 -10.835 -4.345 437 HG21 VAL 74 HG21 VAL 74 10.936 -7.192 -5.881 438 HG22 VAL 74 HG22 VAL 74 9.280 -7.835 -5.982 439 HG23 VAL 74 HG23 VAL 74 9.717 -6.704 -4.679 440 H VAL 75 H VAL 75 12.087 -9.442 -2.098 441 HA VAL 75 HA VAL 75 11.479 -12.075 -1.555 442 HB VAL 75 HB VAL 75 13.678 -10.508 -1.488 443 HG11 VAL 75 HG11 VAL 75 13.179 -9.508 0.669 444 HG12 VAL 75 HG12 VAL 75 13.014 -11.117 1.412 445 HG13 VAL 75 HG13 VAL 75 14.600 -10.571 0.817 446 HG21 VAL 75 HG21 VAL 75 14.654 -12.647 -0.172 447 HG22 VAL 75 HG22 VAL 75 13.059 -13.290 -0.632 448 HG23 VAL 75 HG23 VAL 75 14.173 -12.693 -1.885 449 H ALA 76 H ALA 76 10.910 -9.100 0.346 450 HA ALA 76 HA ALA 76 10.296 -10.393 2.764 451 HB1 ALA 76 HB1 ALA 76 9.083 -7.773 1.867 452 HB2 ALA 76 HB2 ALA 76 9.650 -8.255 3.485 453 HB3 ALA 76 HB3 ALA 76 10.828 -7.896 2.199 454 H VAL 77 H VAL 77 8.218 -9.142 0.060 455 HA VAL 77 HA VAL 77 5.797 -9.921 1.154 456 HB VAL 77 HB VAL 77 6.649 -9.738 -1.743 457 HG11 VAL 77 HG11 VAL 77 4.596 -10.734 -1.959 458 HG12 VAL 77 HG12 VAL 77 3.996 -10.097 -0.409 459 HG13 VAL 77 HG13 VAL 77 4.083 -9.034 -1.835 460 HG21 VAL 77 HG21 VAL 77 6.699 -7.736 0.159 461 HG22 VAL 77 HG22 VAL 77 6.571 -7.499 -1.601 462 HG23 VAL 77 HG23 VAL 77 5.101 -7.522 -0.597 463 H CYS 78 H CYS 78 8.065 -11.702 -1.039 464 HA CYS 78 HA CYS 78 6.532 -13.945 -1.395 465 HB2 CYS 78 HB2 CYS 78 8.344 -14.771 -2.454 466 HB3 CYS 78 HB3 CYS 78 8.993 -13.158 -2.229 467 HG CYS 78 HG CYS 78 10.963 -14.445 -1.491 468 H GLU 79 H GLU 79 8.726 -12.966 1.294 469 HA GLU 79 HA GLU 79 8.468 -15.446 2.622 470 HB2 GLU 79 HB2 GLU 79 9.647 -12.747 3.284 471 HB3 GLU 79 HB3 GLU 79 9.409 -13.902 4.580 472 HG2 GLU 79 HG2 GLU 79 10.632 -15.614 3.028 473 HG3 GLU 79 HG3 GLU 79 11.124 -14.220 2.087 474 HE2 GLU 79 HE2 GLU 79 11.976 -15.144 5.746 475 H GLU 80 H GLU 80 6.660 -12.411 2.510 476 HA GLU 80 HA GLU 80 5.328 -12.857 4.969 477 HB2 GLU 80 HB2 GLU 80 5.680 -10.591 3.952 478 HB3 GLU 80 HB3 GLU 80 4.590 -11.019 2.648 479 HG2 GLU 80 HG2 GLU 80 2.734 -11.341 4.261 480 HG3 GLU 80 HG3 GLU 80 3.814 -11.017 5.603 481 HE2 GLU 80 HE2 GLU 80 2.145 -8.118 5.289 482 H LEU 81 H LEU 81 5.018 -14.039 1.707 483 HA LEU 81 HA LEU 81 2.209 -14.647 1.977 484 HB2 LEU 81 HB2 LEU 81 4.289 -14.940 -0.155 485 HB3 LEU 81 HB3 LEU 81 2.825 -15.898 -0.245 486 HG LEU 81 HG LEU 81 3.062 -12.883 -0.275 487 HD11 LEU 81 HD11 LEU 81 3.253 -13.282 -2.464 488 HD12 LEU 81 HD12 LEU 81 2.724 -14.974 -2.299 489 HD13 LEU 81 HD13 LEU 81 1.516 -13.671 -2.412 490 HD21 LEU 81 HD21 LEU 81 0.446 -13.228 -0.700 491 HD22 LEU 81 HD22 LEU 81 0.731 -14.608 0.388 492 HD23 LEU 81 HD23 LEU 81 1.135 -12.958 0.919 493 H GLY 82 H GLY 82 5.256 -16.002 2.892 494 HA2 GLY 82 HA2 GLY 82 5.896 -18.126 3.430 495 HA3 GLY 82 HA3 GLY 82 4.470 -17.997 4.440 496 H ALA 83 H ALA 83 4.639 -18.187 0.830 497 HA ALA 83 HA ALA 83 3.146 -20.714 1.038 498 HB1 ALA 83 HB1 ALA 83 1.715 -19.994 -0.603 499 HB2 ALA 83 HB2 ALA 83 2.162 -18.401 0.055 500 HB3 ALA 83 HB3 ALA 83 2.961 -19.015 -1.413 501 H GLU 84 H GLU 84 4.030 -22.484 0.052 502 HA GLU 84 HA GLU 84 6.073 -21.983 -1.940 503 HB2 GLU 84 HB2 GLU 84 6.617 -24.128 0.103 504 HB3 GLU 84 HB3 GLU 84 7.750 -23.223 -0.880 505 HG2 GLU 84 HG2 GLU 84 8.097 -22.176 1.168 506 HG3 GLU 84 HG3 GLU 84 6.839 -21.141 0.523 507 HE2 GLU 84 HE2 GLU 84 5.902 -24.105 3.006 508 H GLU 85 H GLU 85 3.229 -22.875 -1.993 509 HA GLU 85 HA GLU 85 3.201 -24.633 -3.921 510 HB2 GLU 85 HB2 GLU 85 3.978 -26.060 -1.449 511 HB3 GLU 85 HB3 GLU 85 2.611 -26.794 -2.264 512 HG2 GLU 85 HG2 GLU 85 4.538 -26.069 -4.284 513 HG3 GLU 85 HG3 GLU 85 5.403 -26.893 -3.002 514 HE2 GLU 85 HE2 GLU 85 3.257 -29.032 -2.437 515 H CYS 86 H CYS 86 1.029 -25.716 -4.247 516 HA CYS 86 HA CYS 86 -0.954 -24.255 -2.689 517 HB2 CYS 86 HB2 CYS 86 -1.278 -23.765 -4.955 518 HB3 CYS 86 HB3 CYS 86 -0.939 -25.405 -5.473 519 H PHE 87 H PHE 87 -0.915 -25.683 -0.824 520 HA PHE 87 HA PHE 87 -1.003 -28.432 -0.931 521 HB2 PHE 87 HB2 PHE 87 -2.167 -26.311 0.961 522 HB3 PHE 87 HB3 PHE 87 -2.212 -28.015 1.368 523 HD1 PHE 87 HD2 PHE 87 0.189 -29.213 1.085 524 HD2 PHE 87 HD1 PHE 87 -0.429 -25.082 1.831 525 HE1 PHE 87 HE2 PHE 87 2.498 -29.043 2.054 526 HE2 PHE 87 HE1 PHE 87 1.880 -24.912 2.800 527 HZ PHE 87 HZ PHE 87 3.316 -26.894 2.900 528 H SER 88 H SER 88 -3.536 -26.037 -1.550 529 HA SER 88 HA SER 88 -5.738 -27.596 -1.021 530 HB2 SER 88 HB2 SER 88 -5.331 -25.424 -3.123 531 HB3 SER 88 HB3 SER 88 -6.898 -26.074 -2.683 532 HG SER 88 HG SER 88 -6.443 -24.125 -1.506 533 H CYS 89 H CYS 89 -3.272 -27.969 -3.405 534 HA CYS 89 HA CYS 89 -4.632 -28.918 -5.587 535 HB2 CYS 89 HB2 CYS 89 -1.896 -29.235 -4.486 536 HB3 CYS 89 HB3 CYS 89 -2.400 -30.482 -5.609 537 H ASP 90 H ASP 90 -4.264 -30.223 -2.354 538 HA ASP 90 HA ASP 90 -4.962 -32.877 -3.233 539 HB2 ASP 90 HB2 ASP 90 -3.273 -32.307 -1.353 540 HB3 ASP 90 HB3 ASP 90 -4.657 -31.862 -0.375 541 HD2 ASP 90 HD2 ASP 90 -5.510 -34.641 -2.181 542 H PHE 91 H PHE 91 -6.786 -30.421 -3.439 543 HA PHE 91 HA PHE 91 -8.781 -30.853 -1.413 544 HB2 PHE 91 HB2 PHE 91 -8.306 -28.593 -2.316 545 HB3 PHE 91 HB3 PHE 91 -8.495 -29.162 -3.962 546 HD1 PHE 91 HD1 PHE 91 -10.569 -29.311 -0.850 547 HD2 PHE 91 HD2 PHE 91 -10.387 -28.361 -4.982 548 HE1 PHE 91 HE1 PHE 91 -12.988 -28.645 -0.803 549 HE2 PHE 91 HE2 PHE 91 -12.807 -27.695 -4.935 550 HZ PHE 91 HZ PHE 91 -14.079 -27.846 -2.846 551 H ASP 92 H ASP 92 -10.882 -31.710 -1.728 552 HA ASP 92 HA ASP 92 -10.977 -33.698 -3.739 553 HB2 ASP 92 HB2 ASP 92 -13.174 -34.253 -2.735 554 HB3 ASP 92 HB3 ASP 92 -11.944 -34.072 -1.499 555 HD2 ASP 92 HD2 ASP 92 -14.431 -30.953 -1.789 Start of MODEL 13 1 H SER 16 H SER 16 2.223 0.461 -2.410 2 HA SER 16 HA SER 16 2.676 -1.908 -0.936 3 HB2 SER 16 HB2 SER 16 0.442 -1.662 -0.187 4 HB3 SER 16 HB3 SER 16 0.988 -0.016 -0.440 5 HG SER 16 HG SER 16 -1.190 -0.650 -1.349 6 H GLU 17 H GLU 17 1.442 -1.045 -4.162 7 HA GLU 17 HA GLU 17 0.620 -3.796 -4.568 8 HB2 GLU 17 HB2 GLU 17 -0.571 -3.011 -6.510 9 HB3 GLU 17 HB3 GLU 17 -0.904 -1.879 -5.214 10 HG2 GLU 17 HG2 GLU 17 -0.371 -0.390 -6.928 11 HG3 GLU 17 HG3 GLU 17 1.205 -0.579 -6.187 12 HE2 GLU 17 HE2 GLU 17 -0.015 -1.935 -9.623 13 H ALA 18 H ALA 18 3.155 -1.476 -5.301 14 HA ALA 18 HA ALA 18 4.126 -2.594 -7.669 15 HB1 ALA 18 HB1 ALA 18 6.323 -1.552 -6.307 16 HB2 ALA 18 HB2 ALA 18 5.232 -0.648 -7.383 17 HB3 ALA 18 HB3 ALA 18 4.946 -0.654 -5.627 18 H VAL 19 H VAL 19 4.370 -3.546 -4.257 19 HA VAL 19 HA VAL 19 6.565 -5.318 -4.682 20 HB VAL 19 HB VAL 19 6.448 -5.711 -2.438 21 HG11 VAL 19 HG11 VAL 19 4.793 -3.282 -2.068 22 HG12 VAL 19 HG12 VAL 19 6.446 -3.645 -1.516 23 HG13 VAL 19 HG13 VAL 19 6.163 -3.114 -3.191 24 HG21 VAL 19 HG21 VAL 19 4.433 -5.752 -1.074 25 HG22 VAL 19 HG22 VAL 19 3.457 -5.183 -2.450 26 HG23 VAL 19 HG23 VAL 19 4.218 -6.791 -2.503 27 H TYR 20 H TYR 20 2.980 -5.673 -4.269 28 HA TYR 20 HA TYR 20 2.959 -8.455 -4.546 29 HB2 TYR 20 HB2 TYR 20 1.130 -6.060 -4.728 30 HB3 TYR 20 HB3 TYR 20 0.528 -7.496 -5.530 31 HD1 TYR 20 HD2 TYR 20 2.657 -8.026 -2.626 32 HD2 TYR 20 HD1 TYR 20 -1.382 -7.445 -3.914 33 HE1 TYR 20 HE2 TYR 20 1.811 -8.917 -0.400 34 HE2 TYR 20 HE1 TYR 20 -2.214 -8.338 -1.684 35 HH TYR 20 HH TYR 20 -0.508 -10.120 0.292 36 H ILE 21 H ILE 21 3.058 -5.795 -6.919 37 HA ILE 21 HA ILE 21 2.333 -7.489 -9.108 38 HB ILE 21 HB ILE 21 2.210 -4.841 -8.675 39 HG12 ILE 21 HG12 ILE 21 0.904 -5.837 -10.357 40 HG13 ILE 21 HG13 ILE 21 1.892 -4.650 -11.187 41 HG21 ILE 21 HG21 ILE 21 4.744 -5.278 -10.274 42 HG22 ILE 21 HG22 ILE 21 3.842 -3.745 -10.212 43 HG23 ILE 21 HG23 ILE 21 4.567 -4.412 -8.730 44 HD11 ILE 21 HD11 ILE 21 3.574 -6.661 -11.532 45 HD12 ILE 21 HD12 ILE 21 2.143 -7.665 -11.195 46 HD13 ILE 21 HD13 ILE 21 2.134 -6.534 -12.570 47 H ALA 22 H ALA 22 5.342 -6.283 -7.574 48 HA ALA 22 HA ALA 22 7.060 -7.199 -9.613 49 HB1 ALA 22 HB1 ALA 22 7.629 -6.761 -6.654 50 HB2 ALA 22 HB2 ALA 22 8.810 -6.752 -7.986 51 HB3 ALA 22 HB3 ALA 22 7.584 -5.466 -7.874 52 H ILE 23 H ILE 23 5.817 -8.627 -6.536 53 HA ILE 23 HA ILE 23 7.362 -10.983 -6.780 54 HB ILE 23 HB ILE 23 5.865 -11.824 -5.011 55 HG12 ILE 23 HG12 ILE 23 4.358 -9.803 -4.087 56 HG13 ILE 23 HG13 ILE 23 4.275 -9.426 -5.796 57 HG21 ILE 23 HG21 ILE 23 7.328 -10.832 -3.675 58 HG22 ILE 23 HG22 ILE 23 7.659 -9.600 -4.916 59 HG23 ILE 23 HG23 ILE 23 6.360 -9.340 -3.728 60 HD11 ILE 23 HD11 ILE 23 3.597 -12.128 -4.545 61 HD12 ILE 23 HD12 ILE 23 2.425 -10.932 -5.148 62 HD13 ILE 23 HD13 ILE 23 3.522 -11.753 -6.284 63 H GLU 24 H GLU 24 4.164 -9.912 -7.952 64 HA GLU 24 HA GLU 24 3.598 -12.573 -8.882 65 HB2 GLU 24 HB2 GLU 24 1.408 -11.866 -9.138 66 HB3 GLU 24 HB3 GLU 24 1.934 -10.731 -7.912 67 HG2 GLU 24 HG2 GLU 24 2.644 -9.225 -9.971 68 HG3 GLU 24 HG3 GLU 24 1.562 -10.258 -10.884 69 HE2 GLU 24 HE2 GLU 24 -0.135 -8.647 -11.068 70 H ALA 25 H ALA 25 5.507 -10.027 -9.914 71 HA ALA 25 HA ALA 25 4.800 -9.782 -12.616 72 HB1 ALA 25 HB1 ALA 25 7.663 -9.517 -11.910 73 HB2 ALA 25 HB2 ALA 25 6.551 -8.337 -12.644 74 HB3 ALA 25 HB3 ALA 25 6.557 -8.577 -10.880 75 H GLY 26 H GLY 26 5.980 -12.449 -10.834 76 HA2 GLY 26 HA2 GLY 26 5.935 -14.430 -12.463 77 HA3 GLY 26 HA3 GLY 26 7.307 -13.618 -13.191 78 H THR 27 H THR 27 7.591 -12.690 -10.041 79 HA THR 27 HA THR 27 9.798 -14.307 -9.516 80 HB THR 27 HB THR 27 8.148 -12.226 -8.179 81 HG1 THR 27 HG1 THR 27 10.174 -11.499 -8.715 82 HG21 THR 27 HG21 THR 27 9.610 -14.393 -6.610 83 HG22 THR 27 HG22 THR 27 9.519 -12.722 -6.003 84 HG23 THR 27 HG23 THR 27 8.027 -13.658 -6.259 85 H LEU 28 H LEU 28 6.392 -14.564 -8.326 86 HA LEU 28 HA LEU 28 7.025 -17.360 -7.705 87 HB2 LEU 28 HB2 LEU 28 5.285 -16.985 -5.807 88 HB3 LEU 28 HB3 LEU 28 6.977 -16.596 -5.572 89 HG LEU 28 HG LEU 28 6.046 -14.198 -6.469 90 HD11 LEU 28 HD11 LEU 28 3.698 -15.661 -5.926 91 HD12 LEU 28 HD12 LEU 28 3.892 -14.506 -4.585 92 HD13 LEU 28 HD13 LEU 28 3.855 -13.921 -6.266 93 HD21 LEU 28 HD21 LEU 28 6.820 -13.500 -4.495 94 HD22 LEU 28 HD22 LEU 28 5.659 -14.493 -3.582 95 HD23 LEU 28 HD23 LEU 28 7.177 -15.213 -4.170 96 H ALA 29 H ALA 29 4.751 -18.549 -7.310 97 HA ALA 29 HA ALA 29 2.821 -17.514 -9.250 98 HB1 ALA 29 HB1 ALA 29 4.524 -19.918 -9.487 99 HB2 ALA 29 HB2 ALA 29 2.788 -20.227 -9.732 100 HB3 ALA 29 HB3 ALA 29 3.629 -19.023 -10.738 101 H GLU 30 H GLU 30 0.681 -17.904 -8.680 102 HA GLU 30 HA GLU 30 0.275 -19.694 -6.434 103 HB2 GLU 30 HB2 GLU 30 -1.335 -17.932 -5.469 104 HB3 GLU 30 HB3 GLU 30 0.379 -17.620 -5.279 105 HG2 GLU 30 HG2 GLU 30 -0.165 -15.565 -6.152 106 HG3 GLU 30 HG3 GLU 30 -0.015 -16.400 -7.686 107 HE2 GLU 30 HE2 GLU 30 -3.189 -15.808 -5.579 108 H CYS 31 H CYS 31 -1.636 -20.887 -6.572 109 HA CYS 31 HA CYS 31 -2.862 -21.107 -9.024 110 HB2 CYS 31 HB2 CYS 31 -2.905 -22.522 -6.659 111 HB3 CYS 31 HB3 CYS 31 -4.544 -21.904 -6.737 112 H GLU 32 H GLU 32 -4.387 -19.846 -10.048 113 HA GLU 32 HA GLU 32 -5.340 -17.549 -8.722 114 HB2 GLU 32 HB2 GLU 32 -6.079 -18.746 -11.429 115 HB3 GLU 32 HB3 GLU 32 -6.558 -17.151 -10.884 116 HG2 GLU 32 HG2 GLU 32 -3.921 -16.878 -10.445 117 HG3 GLU 32 HG3 GLU 32 -3.814 -18.153 -11.642 118 HE2 GLU 32 HE2 GLU 32 -5.331 -14.569 -12.601 119 H VAL 33 H VAL 33 -6.286 -20.772 -8.553 120 HA VAL 33 HA VAL 33 -9.105 -20.059 -8.156 121 HB VAL 33 HB VAL 33 -9.417 -21.810 -9.478 122 HG11 VAL 33 HG11 VAL 33 -7.033 -21.640 -10.205 123 HG12 VAL 33 HG12 VAL 33 -6.604 -22.820 -8.943 124 HG13 VAL 33 HG13 VAL 33 -7.686 -23.294 -10.275 125 HG21 VAL 33 HG21 VAL 33 -9.361 -24.027 -8.457 126 HG22 VAL 33 HG22 VAL 33 -8.271 -23.434 -7.181 127 HG23 VAL 33 HG23 VAL 33 -9.938 -22.818 -7.285 128 H HIS 34 H HIS 34 -6.115 -20.760 -6.590 129 HA HIS 34 HA HIS 34 -7.522 -21.643 -4.189 130 HB2 HIS 34 HB2 HIS 34 -4.547 -21.655 -4.761 131 HB3 HIS 34 HB3 HIS 34 -5.351 -22.373 -3.380 132 HD1 HIS 34 HD1 HIS 34 -6.417 -22.710 -7.038 133 HD2 HIS 34 HD2 HIS 34 -4.928 -25.045 -3.887 134 HE1 HIS 34 HE1 HIS 34 -6.469 -25.128 -7.853 135 H GLU 35 H GLU 35 -8.348 -19.775 -3.268 136 HA GLU 35 HA GLU 35 -6.876 -17.378 -3.291 137 HB2 GLU 35 HB2 GLU 35 -9.322 -17.363 -3.212 138 HB3 GLU 35 HB3 GLU 35 -9.327 -18.255 -1.704 139 HG2 GLU 35 HG2 GLU 35 -9.553 -16.112 -0.849 140 HG3 GLU 35 HG3 GLU 35 -7.803 -16.210 -0.870 141 HE2 GLU 35 HE2 GLU 35 -9.643 -13.647 -3.277 142 H GLY 36 H GLY 36 -5.173 -16.829 -2.005 143 HA2 GLY 36 HA2 GLY 36 -4.140 -16.502 0.041 144 HA3 GLY 36 HA3 GLY 36 -5.138 -17.745 0.768 145 H THR 37 H THR 37 -4.503 -19.442 -1.829 146 HA THR 37 HA THR 37 -2.107 -20.632 -0.679 147 HB THR 37 HB THR 37 -3.417 -21.860 -3.054 148 HG1 THR 37 HG1 THR 37 -5.109 -22.361 -1.067 149 HG21 THR 37 HG21 THR 37 -1.866 -23.046 -1.384 150 HG22 THR 37 HG22 THR 37 -3.153 -22.849 -0.171 151 HG23 THR 37 HG23 THR 37 -3.444 -23.835 -1.624 152 H TYR 38 H TYR 38 -0.146 -20.029 -1.326 153 HA TYR 38 HA TYR 38 0.169 -19.413 -4.179 154 HB2 TYR 38 HB2 TYR 38 1.189 -17.985 -1.648 155 HB3 TYR 38 HB3 TYR 38 1.851 -17.648 -3.235 156 HD1 TYR 38 HD2 TYR 38 -1.513 -17.828 -1.566 157 HD2 TYR 38 HD1 TYR 38 1.010 -15.809 -4.370 158 HE1 TYR 38 HE2 TYR 38 -3.328 -16.093 -1.961 159 HE2 TYR 38 HE1 TYR 38 -0.814 -14.081 -4.755 160 HH TYR 38 HH TYR 38 -3.121 -13.438 -2.830 161 H PHE 39 H PHE 39 2.679 -19.288 -4.673 162 HA PHE 39 HA PHE 39 4.318 -20.903 -2.995 163 HB2 PHE 39 HB2 PHE 39 4.185 -22.910 -4.203 164 HB3 PHE 39 HB3 PHE 39 2.587 -22.311 -4.599 165 HD1 PHE 39 HD1 PHE 39 6.103 -22.093 -5.837 166 HD2 PHE 39 HD2 PHE 39 1.977 -22.194 -6.824 167 HE1 PHE 39 HE1 PHE 39 6.688 -22.148 -8.278 168 HE2 PHE 39 HE2 PHE 39 2.562 -22.250 -9.264 169 HZ PHE 39 HZ PHE 39 4.910 -22.226 -9.962 170 H SER 40 H SER 40 6.337 -20.069 -3.218 171 HA SER 40 HA SER 40 6.866 -18.656 -5.700 172 HB2 SER 40 HB2 SER 40 8.648 -17.497 -4.432 173 HB3 SER 40 HB3 SER 40 7.095 -17.328 -3.639 174 HG SER 40 HG SER 40 8.285 -17.968 -1.940 175 H ASP 41 H ASP 41 8.910 -18.996 -6.830 176 HA ASP 41 HA ASP 41 9.612 -21.510 -7.277 177 HB2 ASP 41 HB2 ASP 41 10.508 -19.073 -8.130 178 HB3 ASP 41 HB3 ASP 41 11.904 -19.573 -7.196 179 HD2 ASP 41 HD2 ASP 41 13.115 -20.380 -9.877 180 H SER 42 H SER 42 9.942 -22.942 -5.508 181 HA SER 42 HA SER 42 11.412 -22.165 -3.249 182 HB2 SER 42 HB2 SER 42 10.805 -25.012 -4.147 183 HB3 SER 42 HB3 SER 42 11.112 -24.463 -2.512 184 HG SER 42 HG SER 42 8.747 -24.459 -3.952 185 H GLY 43 H GLY 43 13.579 -22.622 -2.661 186 HA2 GLY 43 HA2 GLY 43 15.575 -23.905 -3.000 187 HA3 GLY 43 HA3 GLY 43 15.226 -23.961 -4.716 188 H ASP 44 H ASP 44 14.271 -21.043 -4.657 189 HA ASP 44 HA ASP 44 16.786 -19.733 -4.095 190 HB2 ASP 44 HB2 ASP 44 16.384 -20.543 -6.628 191 HB3 ASP 44 HB3 ASP 44 15.392 -19.100 -6.698 192 HD2 ASP 44 HD2 ASP 44 17.948 -17.667 -4.963 193 H ILE 45 H ILE 45 15.502 -18.725 -2.351 194 HA ILE 45 HA ILE 45 13.063 -17.399 -2.953 195 HB ILE 45 HB ILE 45 14.789 -17.876 -0.621 196 HG12 ILE 45 HG12 ILE 45 12.552 -18.988 -1.350 197 HG13 ILE 45 HG13 ILE 45 12.844 -18.650 0.344 198 HG21 ILE 45 HG21 ILE 45 14.913 -15.599 -0.250 199 HG22 ILE 45 HG22 ILE 45 13.320 -15.281 -0.976 200 HG23 ILE 45 HG23 ILE 45 13.430 -16.038 0.631 201 HD11 ILE 45 HD11 ILE 45 11.635 -16.351 -1.051 202 HD12 ILE 45 HD12 ILE 45 10.622 -17.813 -1.123 203 HD13 ILE 45 HD13 ILE 45 11.129 -17.158 0.453 204 H SER 46 H SER 46 16.475 -16.627 -3.213 205 HA SER 46 HA SER 46 16.147 -13.839 -3.061 206 HB2 SER 46 HB2 SER 46 18.442 -13.716 -3.598 207 HB3 SER 46 HB3 SER 46 18.301 -15.257 -2.775 208 HG SER 46 HG SER 46 19.415 -14.935 -5.090 209 H GLU 47 H GLU 47 15.688 -16.294 -5.549 210 HA GLU 47 HA GLU 47 16.072 -14.756 -7.798 211 HB2 GLU 47 HB2 GLU 47 14.528 -17.241 -7.128 212 HB3 GLU 47 HB3 GLU 47 14.144 -16.457 -8.648 213 HG2 GLU 47 HG2 GLU 47 17.054 -16.887 -7.956 214 HG3 GLU 47 HG3 GLU 47 16.112 -18.270 -8.476 215 HE2 GLU 47 HE2 GLU 47 14.889 -17.435 -10.981 216 H ALA 48 H ALA 48 13.491 -14.760 -5.403 217 HA ALA 48 HA ALA 48 11.440 -13.682 -6.970 218 HB1 ALA 48 HB1 ALA 48 10.843 -12.760 -4.524 219 HB2 ALA 48 HB2 ALA 48 10.678 -14.481 -4.948 220 HB3 ALA 48 HB3 ALA 48 12.114 -13.916 -4.059 221 H GLU 49 H GLU 49 14.041 -12.155 -4.965 222 HA GLU 49 HA GLU 49 13.154 -9.554 -5.555 223 HB2 GLU 49 HB2 GLU 49 14.779 -8.905 -4.079 224 HB3 GLU 49 HB3 GLU 49 14.809 -10.611 -3.678 225 HG2 GLU 49 HG2 GLU 49 16.597 -10.873 -5.532 226 HG3 GLU 49 HG3 GLU 49 16.681 -9.123 -5.567 227 HE2 GLU 49 HE2 GLU 49 18.669 -11.171 -2.998 228 H GLU 50 H GLU 50 15.427 -11.861 -7.054 229 HA GLU 50 HA GLU 50 16.751 -10.020 -8.656 230 HB2 GLU 50 HB2 GLU 50 17.389 -12.452 -8.136 231 HB3 GLU 50 HB3 GLU 50 16.215 -12.938 -9.343 232 HG2 GLU 50 HG2 GLU 50 17.434 -11.954 -11.125 233 HG3 GLU 50 HG3 GLU 50 18.315 -10.875 -10.061 234 HE2 GLU 50 HE2 GLU 50 20.203 -12.075 -11.314 235 H LEU 51 H LEU 51 14.045 -12.318 -9.473 236 HA LEU 51 HA LEU 51 13.629 -11.383 -12.040 237 HB2 LEU 51 HB2 LEU 51 11.606 -12.542 -10.119 238 HB3 LEU 51 HB3 LEU 51 11.443 -12.447 -11.861 239 HG LEU 51 HG LEU 51 13.676 -13.983 -10.518 240 HD11 LEU 51 HD11 LEU 51 12.190 -16.004 -11.169 241 HD12 LEU 51 HD12 LEU 51 11.834 -15.111 -9.670 242 HD13 LEU 51 HD13 LEU 51 10.854 -14.827 -11.129 243 HD21 LEU 51 HD21 LEU 51 12.537 -14.008 -13.325 244 HD22 LEU 51 HD22 LEU 51 14.150 -13.456 -12.812 245 HD23 LEU 51 HD23 LEU 51 13.723 -15.181 -12.703 246 H ALA 52 H ALA 52 12.323 -10.247 -8.881 247 HA ALA 52 HA ALA 52 10.568 -8.358 -10.032 248 HB1 ALA 52 HB1 ALA 52 11.778 -8.803 -7.290 249 HB2 ALA 52 HB2 ALA 52 10.721 -7.411 -7.627 250 HB3 ALA 52 HB3 ALA 52 10.101 -9.068 -7.825 251 H ARG 53 H ARG 53 14.020 -8.375 -9.121 252 HA ARG 53 HA ARG 53 14.398 -5.656 -9.077 253 HB2 ARG 53 HB2 ARG 53 16.070 -7.371 -8.327 254 HB3 ARG 53 HB3 ARG 53 16.339 -7.840 -9.993 255 HG2 ARG 53 HG2 ARG 53 17.031 -5.432 -10.481 256 HG3 ARG 53 HG3 ARG 53 16.923 -5.107 -8.762 257 HD2 ARG 53 HD2 ARG 53 18.857 -6.954 -10.207 258 HD3 ARG 53 HD3 ARG 53 19.229 -5.620 -9.134 259 HE ARG 53 HE ARG 53 17.852 -7.275 -7.454 260 HH11 ARG 53 HH22 ARG 53 20.481 -7.907 -9.706 261 HH12 ARG 53 HH21 ARG 53 21.125 -9.224 -8.783 262 HH21 ARG 53 HH12 ARG 53 18.701 -9.012 -6.236 263 HH22 ARG 53 HH11 ARG 53 20.106 -9.857 -6.796 264 H GLU 54 H GLU 54 14.585 -8.051 -11.787 265 HA GLU 54 HA GLU 54 15.313 -6.045 -13.655 266 HB2 GLU 54 HB2 GLU 54 16.024 -8.406 -13.908 267 HB3 GLU 54 HB3 GLU 54 14.354 -8.913 -14.059 268 HG2 GLU 54 HG2 GLU 54 14.081 -7.798 -16.167 269 HG3 GLU 54 HG3 GLU 54 15.524 -6.829 -15.939 270 HE2 GLU 54 HE2 GLU 54 16.690 -10.490 -15.890 271 H LYS 55 H LYS 55 12.343 -8.065 -13.081 272 HA LYS 55 HA LYS 55 10.752 -7.009 -15.029 273 HB2 LYS 55 HB2 LYS 55 10.414 -8.881 -13.169 274 HB3 LYS 55 HB3 LYS 55 9.561 -7.592 -12.346 275 HG2 LYS 55 HG2 LYS 55 8.040 -8.950 -13.791 276 HG3 LYS 55 HG3 LYS 55 8.069 -7.265 -14.269 277 HD2 LYS 55 HD2 LYS 55 9.323 -7.691 -16.221 278 HD3 LYS 55 HD3 LYS 55 10.015 -9.168 -15.583 279 HE2 LYS 55 HE2 LYS 55 8.324 -9.666 -17.331 280 HE3 LYS 55 HE3 LYS 55 7.833 -10.323 -15.782 281 HZ1 LYS 55 HZ1 LYS 55 6.922 -7.672 -16.114 282 HZ2 LYS 55 HZ2 LYS 55 6.398 -8.626 -17.332 283 HZ3 LYS 55 HZ3 LYS 55 6.067 -9.024 -15.783 284 H PHE 56 H PHE 56 11.123 -5.806 -11.621 285 HA PHE 56 HA PHE 56 9.465 -3.586 -12.010 286 HB2 PHE 56 HB2 PHE 56 10.408 -4.769 -9.861 287 HB3 PHE 56 HB3 PHE 56 11.888 -3.875 -10.145 288 HD1 PHE 56 HD2 PHE 56 11.255 -1.223 -10.710 289 HD2 PHE 56 HD1 PHE 56 9.115 -3.880 -8.187 290 HE1 PHE 56 HE2 PHE 56 10.317 0.733 -9.446 291 HE2 PHE 56 HE1 PHE 56 8.176 -1.925 -6.924 292 HZ PHE 56 HZ PHE 56 8.788 0.358 -7.568 293 H GLU 57 H GLU 57 13.034 -4.061 -12.300 294 HA GLU 57 HA GLU 57 13.554 -1.344 -12.721 295 HB2 GLU 57 HB2 GLU 57 15.306 -2.855 -11.951 296 HB3 GLU 57 HB3 GLU 57 15.146 -3.857 -13.379 297 HG2 GLU 57 HG2 GLU 57 17.106 -2.334 -13.553 298 HG3 GLU 57 HG3 GLU 57 15.937 -2.018 -14.820 299 HE2 GLU 57 HE2 GLU 57 16.983 -1.073 -11.786 300 H LYS 58 H LYS 58 12.020 -3.711 -14.661 301 HA LYS 58 HA LYS 58 12.961 -2.691 -17.181 302 HB2 LYS 58 HB2 LYS 58 12.322 -5.103 -16.690 303 HB3 LYS 58 HB3 LYS 58 10.651 -4.578 -16.669 304 HG2 LYS 58 HG2 LYS 58 11.305 -5.424 -18.915 305 HG3 LYS 58 HG3 LYS 58 10.834 -3.737 -18.982 306 HD2 LYS 58 HD2 LYS 58 13.066 -2.980 -19.246 307 HD3 LYS 58 HD3 LYS 58 13.751 -4.443 -18.566 308 HE2 LYS 58 HE2 LYS 58 13.401 -5.695 -20.547 309 HE3 LYS 58 HE3 LYS 58 12.139 -4.625 -21.125 310 HZ1 LYS 58 HZ1 LYS 58 13.641 -3.182 -21.928 311 HZ2 LYS 58 HZ2 LYS 58 14.753 -3.455 -20.763 312 HZ3 LYS 58 HZ3 LYS 58 14.592 -4.507 -22.002 313 H GLY 59 H GLY 59 11.157 -1.310 -14.831 314 HA2 GLY 59 HA2 GLY 59 9.411 0.050 -16.794 315 HA3 GLY 59 HA3 GLY 59 8.860 -0.397 -15.192 316 H GLU 60 H GLU 60 8.958 1.179 -13.656 317 HA GLU 60 HA GLU 60 11.048 3.183 -14.013 318 HB2 GLU 60 HB2 GLU 60 9.466 4.887 -13.143 319 HB3 GLU 60 HB3 GLU 60 8.881 4.161 -14.626 320 HG2 GLU 60 HG2 GLU 60 6.945 3.988 -13.363 321 HG3 GLU 60 HG3 GLU 60 7.683 2.459 -12.928 322 HE2 GLU 60 HE2 GLU 60 6.415 3.372 -10.300 323 H VAL 61 H VAL 61 12.300 3.616 -12.209 324 HA VAL 61 HA VAL 61 11.376 2.401 -9.696 325 HB VAL 61 HB VAL 61 14.037 2.375 -9.405 326 HG11 VAL 61 HG11 VAL 61 13.943 0.038 -9.690 327 HG12 VAL 61 HG12 VAL 61 12.282 0.506 -9.254 328 HG13 VAL 61 HG13 VAL 61 12.691 0.152 -10.950 329 HG21 VAL 61 HG21 VAL 61 13.584 2.012 -12.385 330 HG22 VAL 61 HG22 VAL 61 14.570 3.265 -11.592 331 HG23 VAL 61 HG23 VAL 61 15.072 1.558 -11.520 332 H SER 62 H SER 62 10.585 4.165 -8.602 333 HA SER 62 HA SER 62 11.154 6.717 -8.856 334 HB2 SER 62 HB2 SER 62 10.378 7.057 -6.615 335 HB3 SER 62 HB3 SER 62 9.577 5.608 -7.188 336 HG SER 62 HG SER 62 11.394 5.925 -5.100 337 H ASN 63 H ASN 63 13.237 4.267 -7.288 338 HA ASN 63 HA ASN 63 15.333 6.271 -7.253 339 HB2 ASN 63 HB2 ASN 63 15.068 4.246 -4.992 340 HB3 ASN 63 HB3 ASN 63 16.041 5.704 -5.023 341 HD21 ASN 63 HD21 ASN 63 14.295 7.565 -6.004 342 HD22 ASN 63 HD22 ASN 63 12.994 7.840 -4.894 343 H PHE 64 H PHE 64 16.670 5.341 -8.837 344 HA PHE 64 HA PHE 64 16.773 2.544 -9.246 345 HB2 PHE 64 HB2 PHE 64 18.435 4.981 -10.106 346 HB3 PHE 64 HB3 PHE 64 18.782 3.375 -10.715 347 HD1 PHE 64 HD1 PHE 64 16.178 6.004 -10.604 348 HD2 PHE 64 HD2 PHE 64 17.540 2.461 -12.501 349 HE1 PHE 64 HE1 PHE 64 14.483 6.328 -12.426 350 HE2 PHE 64 HE2 PHE 64 15.844 2.785 -14.323 351 HZ PHE 64 HZ PHE 64 14.336 4.715 -14.264 352 H ASP 65 H ASP 65 18.308 4.685 -6.993 353 HA ASP 65 HA ASP 65 20.614 2.978 -6.751 354 HB2 ASP 65 HB2 ASP 65 19.727 5.584 -5.459 355 HB3 ASP 65 HB3 ASP 65 21.079 4.682 -4.804 356 HD2 ASP 65 HD2 ASP 65 21.200 6.958 -7.958 357 H ASP 66 H ASP 66 17.430 2.862 -5.809 358 HA ASP 66 HA ASP 66 18.097 1.786 -3.183 359 HB2 ASP 66 HB2 ASP 66 16.389 3.796 -3.571 360 HB3 ASP 66 HB3 ASP 66 15.284 2.517 -4.035 361 HD2 ASP 66 HD2 ASP 66 14.245 3.406 -1.444 362 H VAL 67 H VAL 67 17.961 0.694 -6.156 363 HA VAL 67 HA VAL 67 15.797 -0.963 -6.489 364 HB VAL 67 HB VAL 67 17.355 -0.537 -8.240 365 HG11 VAL 67 HG11 VAL 67 19.553 -2.231 -7.214 366 HG12 VAL 67 HG12 VAL 67 19.606 -0.701 -8.122 367 HG13 VAL 67 HG13 VAL 67 19.326 -0.683 -6.364 368 HG21 VAL 67 HG21 VAL 67 17.615 -2.712 -9.171 369 HG22 VAL 67 HG22 VAL 67 17.702 -3.470 -7.562 370 HG23 VAL 67 HG23 VAL 67 16.167 -2.777 -8.138 371 H GLU 68 H GLU 68 18.726 -1.358 -4.469 372 HA GLU 68 HA GLU 68 18.344 -4.062 -3.946 373 HB2 GLU 68 HB2 GLU 68 19.882 -1.812 -2.662 374 HB3 GLU 68 HB3 GLU 68 19.705 -3.304 -1.761 375 HG2 GLU 68 HG2 GLU 68 21.733 -3.557 -3.013 376 HG3 GLU 68 HG3 GLU 68 20.548 -4.545 -3.845 377 HE2 GLU 68 HE2 GLU 68 21.330 -1.007 -5.604 378 H GLU 69 H GLU 69 16.977 -1.081 -2.542 379 HA GLU 69 HA GLU 69 15.937 -2.383 -0.265 380 HB2 GLU 69 HB2 GLU 69 16.455 0.105 -0.501 381 HB3 GLU 69 HB3 GLU 69 15.020 0.249 -1.497 382 HG2 GLU 69 HG2 GLU 69 14.228 0.800 0.664 383 HG3 GLU 69 HG3 GLU 69 13.745 -0.875 0.480 384 HE2 GLU 69 HE2 GLU 69 14.726 -1.644 3.216 385 H LEU 70 H LEU 70 14.663 -1.434 -3.503 386 HA LEU 70 HA LEU 70 12.002 -2.139 -2.989 387 HB2 LEU 70 HB2 LEU 70 12.652 -0.681 -4.798 388 HB3 LEU 70 HB3 LEU 70 13.586 -1.957 -5.553 389 HG LEU 70 HG LEU 70 11.107 -1.284 -6.318 390 HD11 LEU 70 HD11 LEU 70 10.975 -3.838 -7.050 391 HD12 LEU 70 HD12 LEU 70 12.152 -2.705 -7.756 392 HD13 LEU 70 HD13 LEU 70 12.658 -3.825 -6.469 393 HD21 LEU 70 HD21 LEU 70 9.384 -2.559 -5.412 394 HD22 LEU 70 HD22 LEU 70 10.502 -3.685 -4.605 395 HD23 LEU 70 HD23 LEU 70 10.301 -2.030 -3.981 396 H VAL 71 H VAL 71 14.689 -3.963 -4.617 397 HA VAL 71 HA VAL 71 13.242 -6.288 -5.030 398 HB VAL 71 HB VAL 71 15.528 -7.344 -5.076 399 HG11 VAL 71 HG11 VAL 71 14.866 -4.880 -6.698 400 HG12 VAL 71 HG12 VAL 71 16.301 -5.877 -7.036 401 HG13 VAL 71 HG13 VAL 71 14.675 -6.593 -7.141 402 HG21 VAL 71 HG21 VAL 71 17.216 -5.149 -5.199 403 HG22 VAL 71 HG22 VAL 71 16.200 -4.805 -3.779 404 HG23 VAL 71 HG23 VAL 71 17.120 -6.326 -3.867 405 H LYS 72 H LYS 72 15.026 -5.071 -2.163 406 HA LYS 72 HA LYS 72 14.986 -7.438 -0.701 407 HB2 LYS 72 HB2 LYS 72 15.488 -4.579 -0.213 408 HB3 LYS 72 HB3 LYS 72 14.863 -5.432 1.185 409 HG2 LYS 72 HG2 LYS 72 17.252 -6.348 -0.488 410 HG3 LYS 72 HG3 LYS 72 17.372 -5.501 1.041 411 HD2 LYS 72 HD2 LYS 72 15.608 -7.886 1.152 412 HD3 LYS 72 HD3 LYS 72 17.268 -8.267 0.738 413 HE2 LYS 72 HE2 LYS 72 17.302 -8.334 3.099 414 HE3 LYS 72 HE3 LYS 72 17.920 -6.730 2.757 415 HZ1 LYS 72 HZ1 LYS 72 15.886 -7.199 4.364 416 HZ2 LYS 72 HZ2 LYS 72 16.082 -5.787 3.569 417 HZ3 LYS 72 HZ3 LYS 72 15.062 -6.919 2.982 418 H LYS 73 H LYS 73 12.608 -4.723 -0.928 419 HA LYS 73 HA LYS 73 10.849 -5.746 0.982 420 HB2 LYS 73 HB2 LYS 73 10.476 -3.866 -1.360 421 HB3 LYS 73 HB3 LYS 73 9.185 -4.253 -0.240 422 HG2 LYS 73 HG2 LYS 73 10.282 -3.231 1.595 423 HG3 LYS 73 HG3 LYS 73 11.864 -3.354 0.851 424 HD2 LYS 73 HD2 LYS 73 11.155 -1.023 0.756 425 HD3 LYS 73 HD3 LYS 73 11.160 -1.662 -0.876 426 HE2 LYS 73 HE2 LYS 73 9.094 -0.285 -0.235 427 HE3 LYS 73 HE3 LYS 73 8.765 -1.859 -0.932 428 HZ1 LYS 73 HZ1 LYS 73 8.388 -2.732 1.223 429 HZ2 LYS 73 HZ2 LYS 73 8.884 -1.363 1.960 430 HZ3 LYS 73 HZ3 LYS 73 7.500 -1.367 1.093 431 H VAL 74 H VAL 74 11.405 -6.503 -2.450 432 HA VAL 74 HA VAL 74 8.982 -7.862 -2.874 433 HB VAL 74 HB VAL 74 11.691 -8.173 -4.184 434 HG11 VAL 74 HG11 VAL 74 9.231 -8.682 -5.743 435 HG12 VAL 74 HG12 VAL 74 10.785 -9.549 -5.730 436 HG13 VAL 74 HG13 VAL 74 9.574 -9.872 -4.465 437 HG21 VAL 74 HG21 VAL 74 10.248 -5.883 -4.089 438 HG22 VAL 74 HG22 VAL 74 11.268 -6.354 -5.470 439 HG23 VAL 74 HG23 VAL 74 9.515 -6.656 -5.515 440 H VAL 75 H VAL 75 12.305 -9.002 -1.958 441 HA VAL 75 HA VAL 75 11.693 -11.690 -1.804 442 HB VAL 75 HB VAL 75 13.816 -9.896 -1.077 443 HG11 VAL 75 HG11 VAL 75 13.217 -10.409 1.247 444 HG12 VAL 75 HG12 VAL 75 13.315 -12.151 0.896 445 HG13 VAL 75 HG13 VAL 75 14.779 -11.142 0.810 446 HG21 VAL 75 HG21 VAL 75 15.147 -11.549 -1.950 447 HG22 VAL 75 HG22 VAL 75 14.181 -12.863 -1.235 448 HG23 VAL 75 HG23 VAL 75 13.587 -12.004 -2.677 449 H ALA 76 H ALA 76 11.343 -9.056 0.637 450 HA ALA 76 HA ALA 76 10.609 -10.684 2.771 451 HB1 ALA 76 HB1 ALA 76 11.136 -8.057 2.433 452 HB2 ALA 76 HB2 ALA 76 9.358 -7.986 2.481 453 HB3 ALA 76 HB3 ALA 76 10.258 -8.689 3.846 454 H VAL 77 H VAL 77 8.588 -8.964 0.293 455 HA VAL 77 HA VAL 77 6.134 -9.806 1.262 456 HB VAL 77 HB VAL 77 6.932 -9.298 -1.610 457 HG11 VAL 77 HG11 VAL 77 4.262 -8.868 -0.233 458 HG12 VAL 77 HG12 VAL 77 4.632 -8.666 -1.962 459 HG13 VAL 77 HG13 VAL 77 4.666 -10.287 -1.228 460 HG21 VAL 77 HG21 VAL 77 7.229 -7.128 -1.163 461 HG22 VAL 77 HG22 VAL 77 5.719 -7.048 -0.224 462 HG23 VAL 77 HG23 VAL 77 7.231 -7.558 0.564 463 H CYS 78 H CYS 78 8.525 -11.411 -0.882 464 HA CYS 78 HA CYS 78 6.919 -13.473 -1.763 465 HB2 CYS 78 HB2 CYS 78 9.099 -13.035 -2.738 466 HB3 CYS 78 HB3 CYS 78 9.906 -13.420 -1.231 467 HG CYS 78 HG CYS 78 9.092 -15.223 -3.624 468 H GLU 79 H GLU 79 9.070 -13.198 1.153 469 HA GLU 79 HA GLU 79 8.420 -15.746 2.102 470 HB2 GLU 79 HB2 GLU 79 10.426 -14.173 2.686 471 HB3 GLU 79 HB3 GLU 79 9.341 -13.445 3.854 472 HG2 GLU 79 HG2 GLU 79 8.908 -15.830 4.748 473 HG3 GLU 79 HG3 GLU 79 10.242 -16.356 3.740 474 HE2 GLU 79 HE2 GLU 79 11.851 -13.577 5.913 475 H GLU 80 H GLU 80 6.925 -12.539 2.388 476 HA GLU 80 HA GLU 80 5.307 -13.284 4.595 477 HB2 GLU 80 HB2 GLU 80 5.680 -10.891 2.859 478 HB3 GLU 80 HB3 GLU 80 4.069 -11.076 3.523 479 HG2 GLU 80 HG2 GLU 80 5.401 -11.563 5.793 480 HG3 GLU 80 HG3 GLU 80 6.689 -10.694 4.981 481 HE2 GLU 80 HE2 GLU 80 5.110 -7.901 6.343 482 H LEU 81 H LEU 81 5.229 -13.766 1.152 483 HA LEU 81 HA LEU 81 2.358 -14.028 1.037 484 HB2 LEU 81 HB2 LEU 81 4.492 -13.602 -0.795 485 HB3 LEU 81 HB3 LEU 81 3.683 -15.085 -1.259 486 HG LEU 81 HG LEU 81 2.903 -12.830 -2.268 487 HD11 LEU 81 HD11 LEU 81 0.617 -14.422 -1.160 488 HD12 LEU 81 HD12 LEU 81 0.870 -13.770 -2.796 489 HD13 LEU 81 HD13 LEU 81 1.785 -15.197 -2.256 490 HD21 LEU 81 HD21 LEU 81 0.919 -12.539 -0.132 491 HD22 LEU 81 HD22 LEU 81 2.576 -12.133 0.374 492 HD23 LEU 81 HD23 LEU 81 1.845 -11.307 -1.023 493 H GLY 82 H GLY 82 4.655 -15.797 2.539 494 HA2 GLY 82 HA2 GLY 82 5.047 -18.024 2.863 495 HA3 GLY 82 HA3 GLY 82 3.321 -17.991 3.162 496 H ALA 83 H ALA 83 4.983 -17.466 0.000 497 HA ALA 83 HA ALA 83 3.249 -19.304 -1.282 498 HB1 ALA 83 HB1 ALA 83 5.838 -18.346 -2.484 499 HB2 ALA 83 HB2 ALA 83 4.233 -18.520 -3.235 500 HB3 ALA 83 HB3 ALA 83 4.557 -17.162 -2.131 501 H GLU 84 H GLU 84 3.371 -21.446 -0.740 502 HA GLU 84 HA GLU 84 6.061 -22.579 -0.778 503 HB2 GLU 84 HB2 GLU 84 5.287 -24.266 0.838 504 HB3 GLU 84 HB3 GLU 84 5.045 -22.653 1.481 505 HG2 GLU 84 HG2 GLU 84 2.635 -22.788 0.555 506 HG3 GLU 84 HG3 GLU 84 2.937 -24.490 0.267 507 HE2 GLU 84 HE2 GLU 84 3.452 -24.985 3.826 508 H GLU 85 H GLU 85 2.541 -23.273 -1.343 509 HA GLU 85 HA GLU 85 2.613 -24.049 -3.843 510 HB2 GLU 85 HB2 GLU 85 2.857 -26.608 -3.742 511 HB3 GLU 85 HB3 GLU 85 4.337 -25.674 -3.642 512 HG2 GLU 85 HG2 GLU 85 4.674 -27.109 -1.845 513 HG3 GLU 85 HG3 GLU 85 3.870 -25.794 -1.012 514 HE2 GLU 85 HE2 GLU 85 3.129 -29.163 -2.102 515 H CYS 86 H CYS 86 0.605 -25.049 -4.532 516 HA CYS 86 HA CYS 86 -1.303 -25.207 -2.330 517 HB2 CYS 86 HB2 CYS 86 -3.022 -24.678 -3.917 518 HB3 CYS 86 HB3 CYS 86 -1.720 -23.524 -4.126 519 H PHE 87 H PHE 87 -1.805 -27.271 -1.683 520 HA PHE 87 HA PHE 87 -1.217 -29.455 -3.486 521 HB2 PHE 87 HB2 PHE 87 -1.543 -30.773 -1.432 522 HB3 PHE 87 HB3 PHE 87 -0.636 -29.343 -0.983 523 HD1 PHE 87 HD2 PHE 87 -1.726 -27.522 0.268 524 HD2 PHE 87 HD1 PHE 87 -3.788 -31.119 -0.640 525 HE1 PHE 87 HE2 PHE 87 -3.459 -26.966 1.997 526 HE2 PHE 87 HE1 PHE 87 -5.520 -30.562 1.089 527 HZ PHE 87 HZ PHE 87 -5.335 -28.492 2.387 528 H SER 88 H SER 88 -3.921 -27.488 -2.524 529 HA SER 88 HA SER 88 -5.961 -29.311 -2.583 530 HB2 SER 88 HB2 SER 88 -6.972 -27.362 -2.044 531 HB3 SER 88 HB3 SER 88 -5.645 -26.427 -2.704 532 HG SER 88 HG SER 88 -6.617 -26.673 -4.837 533 H CYS 89 H CYS 89 -3.823 -28.309 -5.112 534 HA CYS 89 HA CYS 89 -5.474 -28.399 -7.324 535 HB2 CYS 89 HB2 CYS 89 -2.620 -28.397 -6.789 536 HB3 CYS 89 HB3 CYS 89 -2.993 -29.469 -8.125 537 H ASP 90 H ASP 90 -4.479 -30.857 -5.069 538 HA ASP 90 HA ASP 90 -5.274 -32.909 -6.980 539 HB2 ASP 90 HB2 ASP 90 -2.942 -32.973 -5.841 540 HB3 ASP 90 HB3 ASP 90 -3.792 -33.334 -4.351 541 HD2 ASP 90 HD2 ASP 90 -2.662 -36.270 -6.391 542 H PHE 91 H PHE 91 -6.180 -31.055 -4.240 543 HA PHE 91 HA PHE 91 -7.837 -33.170 -3.110 544 HB2 PHE 91 HB2 PHE 91 -6.271 -31.279 -1.948 545 HB3 PHE 91 HB3 PHE 91 -7.684 -30.271 -2.187 546 HD1 PHE 91 HD1 PHE 91 -9.756 -30.723 -0.968 547 HD2 PHE 91 HD2 PHE 91 -6.284 -33.076 -0.328 548 HE1 PHE 91 HE1 PHE 91 -10.758 -31.626 1.149 549 HE2 PHE 91 HE2 PHE 91 -7.285 -33.979 1.789 550 HZ PHE 91 HZ PHE 91 -9.511 -33.243 2.503 551 H ASP 92 H ASP 92 -9.789 -33.443 -4.099 552 HA ASP 92 HA ASP 92 -10.955 -31.362 -5.582 553 HB2 ASP 92 HB2 ASP 92 -12.930 -32.976 -5.675 554 HB3 ASP 92 HB3 ASP 92 -11.409 -33.620 -6.262 555 HD2 ASP 92 HD2 ASP 92 -12.289 -36.213 -5.092 Start of MODEL 14 1 H SER 16 H SER 16 -3.416 -4.232 -7.993 2 HA SER 16 HA SER 16 -2.357 -5.366 -5.576 3 HB2 SER 16 HB2 SER 16 -1.030 -5.164 -8.311 4 HB3 SER 16 HB3 SER 16 -0.573 -6.231 -6.999 5 HG SER 16 HG SER 16 -2.063 -6.990 -8.911 6 H GLU 17 H GLU 17 -0.802 -4.397 -4.279 7 HA GLU 17 HA GLU 17 -0.284 -1.677 -4.700 8 HB2 GLU 17 HB2 GLU 17 0.494 -3.760 -2.687 9 HB3 GLU 17 HB3 GLU 17 1.497 -2.325 -2.760 10 HG2 GLU 17 HG2 GLU 17 -0.109 -1.562 -1.271 11 HG3 GLU 17 HG3 GLU 17 -0.874 -1.069 -2.768 12 HE2 GLU 17 HE2 GLU 17 -2.955 -4.092 -2.570 13 H ALA 18 H ALA 18 2.165 -0.869 -4.441 14 HA ALA 18 HA ALA 18 3.452 -1.432 -6.813 15 HB1 ALA 18 HB1 ALA 18 3.712 0.571 -5.271 16 HB2 ALA 18 HB2 ALA 18 4.761 -0.445 -4.253 17 HB3 ALA 18 HB3 ALA 18 5.232 -0.080 -5.930 18 H VAL 19 H VAL 19 4.147 -2.666 -3.470 19 HA VAL 19 HA VAL 19 6.298 -4.270 -4.227 20 HB VAL 19 HB VAL 19 6.015 -5.307 -2.080 21 HG11 VAL 19 HG11 VAL 19 5.729 -2.364 -2.372 22 HG12 VAL 19 HG12 VAL 19 5.447 -3.027 -0.744 23 HG13 VAL 19 HG13 VAL 19 6.995 -3.324 -1.570 24 HG21 VAL 19 HG21 VAL 19 3.681 -5.818 -2.025 25 HG22 VAL 19 HG22 VAL 19 4.011 -4.732 -0.654 26 HG23 VAL 19 HG23 VAL 19 3.236 -4.097 -2.125 27 H TYR 20 H TYR 20 2.789 -5.081 -3.747 28 HA TYR 20 HA TYR 20 2.946 -7.747 -4.404 29 HB2 TYR 20 HB2 TYR 20 0.972 -5.457 -4.490 30 HB3 TYR 20 HB3 TYR 20 0.509 -6.867 -5.422 31 HD1 TYR 20 HD2 TYR 20 2.530 -7.459 -2.451 32 HD2 TYR 20 HD1 TYR 20 -1.472 -7.071 -3.913 33 HE1 TYR 20 HE2 TYR 20 1.644 -8.566 -0.340 34 HE2 TYR 20 HE1 TYR 20 -2.344 -8.180 -1.798 35 HH TYR 20 HH TYR 20 -0.254 -9.763 0.401 36 H ILE 21 H ILE 21 3.192 -4.895 -6.477 37 HA ILE 21 HA ILE 21 2.549 -6.300 -8.878 38 HB ILE 21 HB ILE 21 3.152 -3.591 -8.036 39 HG12 ILE 21 HG12 ILE 21 0.981 -4.369 -8.890 40 HG13 ILE 21 HG13 ILE 21 1.621 -3.030 -9.822 41 HG21 ILE 21 HG21 ILE 21 4.532 -4.667 -10.485 42 HG22 ILE 21 HG22 ILE 21 4.000 -2.971 -10.393 43 HG23 ILE 21 HG23 ILE 21 5.164 -3.604 -9.205 44 HD11 ILE 21 HD11 ILE 21 1.410 -4.287 -11.691 45 HD12 ILE 21 HD12 ILE 21 2.654 -5.387 -11.049 46 HD13 ILE 21 HD13 ILE 21 0.933 -5.701 -10.721 47 H ALA 22 H ALA 22 5.601 -5.070 -7.346 48 HA ALA 22 HA ALA 22 7.365 -5.950 -9.244 49 HB1 ALA 22 HB1 ALA 22 7.744 -4.554 -7.125 50 HB2 ALA 22 HB2 ALA 22 7.855 -6.102 -6.252 51 HB3 ALA 22 HB3 ALA 22 9.019 -5.723 -7.544 52 H ILE 23 H ILE 23 5.765 -7.772 -6.582 53 HA ILE 23 HA ILE 23 7.244 -10.152 -7.160 54 HB ILE 23 HB ILE 23 6.212 -11.056 -5.335 55 HG12 ILE 23 HG12 ILE 23 3.840 -9.190 -5.557 56 HG13 ILE 23 HG13 ILE 23 3.896 -10.752 -6.348 57 HG21 ILE 23 HG21 ILE 23 5.589 -8.378 -4.298 58 HG22 ILE 23 HG22 ILE 23 6.758 -9.594 -3.730 59 HG23 ILE 23 HG23 ILE 23 7.184 -8.511 -5.077 60 HD11 ILE 23 HD11 ILE 23 3.138 -11.649 -4.409 61 HD12 ILE 23 HD12 ILE 23 4.737 -11.295 -3.712 62 HD13 ILE 23 HD13 ILE 23 3.409 -10.124 -3.532 63 H GLU 24 H GLU 24 4.145 -8.671 -8.107 64 HA GLU 24 HA GLU 24 3.105 -11.041 -9.208 65 HB2 GLU 24 HB2 GLU 24 1.655 -9.178 -8.512 66 HB3 GLU 24 HB3 GLU 24 2.401 -8.112 -9.685 67 HG2 GLU 24 HG2 GLU 24 1.338 -9.122 -11.503 68 HG3 GLU 24 HG3 GLU 24 1.252 -10.691 -10.725 69 HE2 GLU 24 HE2 GLU 24 -0.688 -8.742 -8.377 70 H ALA 25 H ALA 25 5.623 -8.917 -10.164 71 HA ALA 25 HA ALA 25 5.267 -8.929 -12.952 72 HB1 ALA 25 HB1 ALA 25 7.810 -8.723 -11.289 73 HB2 ALA 25 HB2 ALA 25 7.616 -8.215 -12.983 74 HB3 ALA 25 HB3 ALA 25 6.730 -7.367 -11.693 75 H GLY 26 H GLY 26 6.402 -11.320 -10.615 76 HA2 GLY 26 HA2 GLY 26 6.138 -13.587 -11.817 77 HA3 GLY 26 HA3 GLY 26 7.479 -12.998 -12.779 78 H THR 27 H THR 27 6.794 -12.558 -9.245 79 HA THR 27 HA THR 27 9.500 -13.456 -8.679 80 HB THR 27 HB THR 27 7.253 -12.123 -7.092 81 HG1 THR 27 HG1 THR 27 9.355 -11.432 -8.716 82 HG21 THR 27 HG21 THR 27 8.419 -12.376 -5.123 83 HG22 THR 27 HG22 THR 27 9.168 -13.779 -5.922 84 HG23 THR 27 HG23 THR 27 9.991 -12.201 -5.940 85 H LEU 28 H LEU 28 6.094 -14.388 -7.930 86 HA LEU 28 HA LEU 28 7.096 -17.085 -7.474 87 HB2 LEU 28 HB2 LEU 28 5.431 -17.143 -5.486 88 HB3 LEU 28 HB3 LEU 28 7.065 -16.549 -5.267 89 HG LEU 28 HG LEU 28 4.932 -14.556 -5.914 90 HD11 LEU 28 HD11 LEU 28 4.379 -14.367 -3.486 91 HD12 LEU 28 HD12 LEU 28 3.784 -15.855 -4.261 92 HD13 LEU 28 HD13 LEU 28 5.228 -15.909 -3.222 93 HD21 LEU 28 HD21 LEU 28 7.649 -14.571 -4.905 94 HD22 LEU 28 HD22 LEU 28 6.672 -13.226 -5.540 95 HD23 LEU 28 HD23 LEU 28 6.560 -13.673 -3.821 96 H ALA 29 H ALA 29 4.988 -18.568 -7.133 97 HA ALA 29 HA ALA 29 2.953 -17.592 -9.013 98 HB1 ALA 29 HB1 ALA 29 3.867 -19.079 -10.466 99 HB2 ALA 29 HB2 ALA 29 4.753 -19.937 -9.183 100 HB3 ALA 29 HB3 ALA 29 3.035 -20.299 -9.471 101 H GLU 30 H GLU 30 0.812 -18.231 -8.546 102 HA GLU 30 HA GLU 30 0.474 -19.954 -6.253 103 HB2 GLU 30 HB2 GLU 30 -1.171 -18.305 -5.245 104 HB3 GLU 30 HB3 GLU 30 0.507 -17.807 -5.166 105 HG2 GLU 30 HG2 GLU 30 -1.087 -16.964 -7.583 106 HG3 GLU 30 HG3 GLU 30 -1.429 -16.159 -6.064 107 HE2 GLU 30 HE2 GLU 30 -0.622 -14.491 -7.351 108 H CYS 31 H CYS 31 -1.626 -20.980 -6.176 109 HA CYS 31 HA CYS 31 -2.741 -21.383 -8.716 110 HB2 CYS 31 HB2 CYS 31 -3.048 -22.482 -6.036 111 HB3 CYS 31 HB3 CYS 31 -4.600 -22.320 -6.833 112 H GLU 32 H GLU 32 -4.111 -20.003 -9.786 113 HA GLU 32 HA GLU 32 -5.231 -17.808 -8.424 114 HB2 GLU 32 HB2 GLU 32 -6.139 -17.188 -10.608 115 HB3 GLU 32 HB3 GLU 32 -4.485 -17.734 -10.802 116 HG2 GLU 32 HG2 GLU 32 -6.674 -19.792 -11.055 117 HG3 GLU 32 HG3 GLU 32 -6.482 -18.647 -12.368 118 HE2 GLU 32 HE2 GLU 32 -5.956 -21.098 -12.971 119 H VAL 33 H VAL 33 -6.093 -21.026 -8.394 120 HA VAL 33 HA VAL 33 -8.966 -20.455 -8.361 121 HB VAL 33 HB VAL 33 -8.378 -23.220 -8.042 122 HG11 VAL 33 HG11 VAL 33 -10.018 -23.415 -9.579 123 HG12 VAL 33 HG12 VAL 33 -10.205 -21.660 -9.349 124 HG13 VAL 33 HG13 VAL 33 -9.237 -22.281 -10.707 125 HG21 VAL 33 HG21 VAL 33 -6.790 -21.866 -10.242 126 HG22 VAL 33 HG22 VAL 33 -6.179 -22.910 -8.937 127 HG23 VAL 33 HG23 VAL 33 -7.187 -23.601 -10.232 128 H HIS 34 H HIS 34 -6.146 -21.289 -6.405 129 HA HIS 34 HA HIS 34 -7.914 -21.761 -4.128 130 HB2 HIS 34 HB2 HIS 34 -4.935 -22.243 -4.214 131 HB3 HIS 34 HB3 HIS 34 -6.104 -22.873 -3.070 132 HD1 HIS 34 HD1 HIS 34 -5.984 -25.355 -3.465 133 HD2 HIS 34 HD2 HIS 34 -6.358 -23.182 -7.033 134 HE1 HIS 34 HE1 HIS 34 -6.293 -27.078 -5.321 135 H GLU 35 H GLU 35 -8.512 -19.645 -3.571 136 HA GLU 35 HA GLU 35 -6.703 -17.536 -3.557 137 HB2 GLU 35 HB2 GLU 35 -9.217 -17.350 -3.600 138 HB3 GLU 35 HB3 GLU 35 -9.258 -17.840 -1.919 139 HG2 GLU 35 HG2 GLU 35 -8.058 -15.863 -1.207 140 HG3 GLU 35 HG3 GLU 35 -7.610 -15.454 -2.851 141 HE2 GLU 35 HE2 GLU 35 -9.385 -14.373 -0.646 142 H GLY 36 H GLY 36 -5.049 -17.061 -2.177 143 HA2 GLY 36 HA2 GLY 36 -4.254 -16.682 0.011 144 HA3 GLY 36 HA3 GLY 36 -5.256 -17.990 0.608 145 H THR 37 H THR 37 -4.454 -19.641 -1.909 146 HA THR 37 HA THR 37 -2.057 -20.743 -0.689 147 HB THR 37 HB THR 37 -3.277 -21.937 -3.149 148 HG1 THR 37 HG1 THR 37 -4.953 -22.655 -1.283 149 HG21 THR 37 HG21 THR 37 -2.934 -23.967 -2.004 150 HG22 THR 37 HG22 THR 37 -1.629 -22.978 -1.307 151 HG23 THR 37 HG23 THR 37 -3.146 -23.212 -0.406 152 H TYR 38 H TYR 38 -0.061 -20.204 -1.279 153 HA TYR 38 HA TYR 38 0.352 -19.480 -4.088 154 HB2 TYR 38 HB2 TYR 38 1.170 -18.054 -1.487 155 HB3 TYR 38 HB3 TYR 38 1.967 -17.704 -3.007 156 HD1 TYR 38 HD1 TYR 38 -1.494 -17.864 -1.562 157 HD2 TYR 38 HD2 TYR 38 1.175 -15.937 -4.294 158 HE1 TYR 38 HE1 TYR 38 -3.288 -16.149 -2.115 159 HE2 TYR 38 HE2 TYR 38 -0.628 -14.228 -4.838 160 HH TYR 38 HH TYR 38 -3.341 -13.808 -2.947 161 H PHE 39 H PHE 39 2.896 -19.248 -4.433 162 HA PHE 39 HA PHE 39 4.522 -20.806 -2.719 163 HB2 PHE 39 HB2 PHE 39 4.531 -22.842 -3.912 164 HB3 PHE 39 HB3 PHE 39 2.881 -22.350 -4.242 165 HD1 PHE 39 HD1 PHE 39 6.320 -21.999 -5.645 166 HD2 PHE 39 HD2 PHE 39 2.159 -22.253 -6.440 167 HE1 PHE 39 HE1 PHE 39 6.794 -22.063 -8.109 168 HE2 PHE 39 HE2 PHE 39 2.633 -22.317 -8.903 169 HZ PHE 39 HZ PHE 39 4.945 -22.222 -9.709 170 H SER 40 H SER 40 6.555 -19.999 -2.957 171 HA SER 40 HA SER 40 7.060 -18.542 -5.412 172 HB2 SER 40 HB2 SER 40 8.924 -17.490 -4.136 173 HB3 SER 40 HB3 SER 40 7.375 -17.271 -3.346 174 HG SER 40 HG SER 40 8.455 -19.597 -2.434 175 H ASP 41 H ASP 41 9.050 -18.883 -6.622 176 HA ASP 41 HA ASP 41 9.706 -21.349 -7.228 177 HB2 ASP 41 HB2 ASP 41 10.738 -18.848 -7.802 178 HB3 ASP 41 HB3 ASP 41 12.107 -19.592 -6.999 179 HD2 ASP 41 HD2 ASP 41 11.373 -22.089 -9.868 180 H SER 42 H SER 42 9.919 -22.904 -5.534 181 HA SER 42 HA SER 42 11.460 -22.358 -3.247 182 HB2 SER 42 HB2 SER 42 9.543 -23.952 -3.288 183 HB3 SER 42 HB3 SER 42 10.443 -25.014 -4.353 184 HG SER 42 HG SER 42 11.373 -24.223 -1.727 185 H GLY 43 H GLY 43 13.597 -22.981 -2.733 186 HA2 GLY 43 HA2 GLY 43 15.499 -24.358 -3.129 187 HA3 GLY 43 HA3 GLY 43 15.092 -24.417 -4.832 188 H ASP 44 H ASP 44 14.353 -21.475 -4.895 189 HA ASP 44 HA ASP 44 16.910 -20.267 -4.324 190 HB2 ASP 44 HB2 ASP 44 16.670 -21.221 -6.794 191 HB3 ASP 44 HB3 ASP 44 15.651 -19.818 -7.045 192 HD2 ASP 44 HD2 ASP 44 18.756 -19.407 -8.295 193 H ILE 45 H ILE 45 15.550 -19.120 -2.709 194 HA ILE 45 HA ILE 45 13.243 -17.692 -3.554 195 HB ILE 45 HB ILE 45 14.830 -18.013 -1.063 196 HG12 ILE 45 HG12 ILE 45 12.597 -19.208 -2.044 197 HG13 ILE 45 HG13 ILE 45 13.019 -19.127 -0.345 198 HG21 ILE 45 HG21 ILE 45 14.715 -15.730 -0.805 199 HG22 ILE 45 HG22 ILE 45 13.200 -15.587 -1.729 200 HG23 ILE 45 HG23 ILE 45 13.174 -16.238 -0.072 201 HD11 ILE 45 HD11 ILE 45 11.497 -17.392 0.102 202 HD12 ILE 45 HD12 ILE 45 11.482 -16.837 -1.589 203 HD13 ILE 45 HD13 ILE 45 10.628 -18.331 -1.136 204 H SER 46 H SER 46 16.702 -17.131 -3.602 205 HA SER 46 HA SER 46 16.529 -14.322 -3.593 206 HB2 SER 46 HB2 SER 46 18.698 -16.269 -4.475 207 HB3 SER 46 HB3 SER 46 18.916 -14.531 -4.535 208 HG SER 46 HG SER 46 19.718 -15.554 -2.543 209 H GLU 47 H GLU 47 16.145 -16.874 -6.001 210 HA GLU 47 HA GLU 47 16.780 -15.468 -8.276 211 HB2 GLU 47 HB2 GLU 47 15.294 -17.914 -7.577 212 HB3 GLU 47 HB3 GLU 47 14.661 -17.144 -9.018 213 HG2 GLU 47 HG2 GLU 47 16.918 -17.121 -10.040 214 HG3 GLU 47 HG3 GLU 47 17.616 -17.786 -8.576 215 HE2 GLU 47 HE2 GLU 47 14.910 -20.311 -9.811 216 H ALA 48 H ALA 48 13.852 -15.452 -6.231 217 HA ALA 48 HA ALA 48 12.211 -14.094 -8.091 218 HB1 ALA 48 HB1 ALA 48 10.745 -14.795 -6.541 219 HB2 ALA 48 HB2 ALA 48 12.067 -15.178 -5.412 220 HB3 ALA 48 HB3 ALA 48 11.366 -13.542 -5.439 221 H GLU 49 H GLU 49 14.626 -13.126 -5.650 222 HA GLU 49 HA GLU 49 13.862 -10.456 -5.511 223 HB2 GLU 49 HB2 GLU 49 16.389 -11.991 -4.886 224 HB3 GLU 49 HB3 GLU 49 16.419 -10.240 -4.829 225 HG2 GLU 49 HG2 GLU 49 15.736 -11.718 -2.684 226 HG3 GLU 49 HG3 GLU 49 15.052 -10.130 -2.967 227 HE2 GLU 49 HE2 GLU 49 13.078 -9.984 -3.438 228 H GLU 50 H GLU 50 16.476 -12.102 -7.431 229 HA GLU 50 HA GLU 50 17.153 -9.744 -8.786 230 HB2 GLU 50 HB2 GLU 50 17.699 -12.678 -9.406 231 HB3 GLU 50 HB3 GLU 50 18.400 -11.355 -10.316 232 HG2 GLU 50 HG2 GLU 50 19.397 -10.450 -8.185 233 HG3 GLU 50 HG3 GLU 50 18.740 -11.822 -7.315 234 HE2 GLU 50 HE2 GLU 50 22.092 -11.938 -8.089 235 H LEU 51 H LEU 51 14.870 -12.430 -9.391 236 HA LEU 51 HA LEU 51 14.374 -11.872 -12.085 237 HB2 LEU 51 HB2 LEU 51 13.809 -13.968 -10.971 238 HB3 LEU 51 HB3 LEU 51 12.622 -13.145 -9.978 239 HG LEU 51 HG LEU 51 12.509 -13.492 -12.987 240 HD11 LEU 51 HD11 LEU 51 11.014 -14.809 -10.713 241 HD12 LEU 51 HD12 LEU 51 10.460 -14.851 -12.404 242 HD13 LEU 51 HD13 LEU 51 12.026 -15.573 -11.962 243 HD21 LEU 51 HD21 LEU 51 11.371 -11.532 -12.822 244 HD22 LEU 51 HD22 LEU 51 10.049 -12.647 -12.402 245 HD23 LEU 51 HD23 LEU 51 10.934 -11.792 -11.116 246 H ALA 52 H ALA 52 12.783 -10.734 -9.039 247 HA ALA 52 HA ALA 52 10.909 -9.126 -10.431 248 HB1 ALA 52 HB1 ALA 52 10.116 -8.624 -8.314 249 HB2 ALA 52 HB2 ALA 52 10.976 -10.145 -7.974 250 HB3 ALA 52 HB3 ALA 52 11.743 -8.584 -7.595 251 H ARG 53 H ARG 53 14.229 -8.711 -9.211 252 HA ARG 53 HA ARG 53 14.242 -5.948 -9.218 253 HB2 ARG 53 HB2 ARG 53 15.993 -7.564 -8.240 254 HB3 ARG 53 HB3 ARG 53 16.615 -7.762 -9.866 255 HG2 ARG 53 HG2 ARG 53 16.252 -4.948 -8.851 256 HG3 ARG 53 HG3 ARG 53 17.577 -5.882 -8.186 257 HD2 ARG 53 HD2 ARG 53 17.095 -5.496 -11.181 258 HD3 ARG 53 HD3 ARG 53 18.206 -4.526 -10.234 259 HE ARG 53 HE ARG 53 19.040 -7.086 -9.660 260 HH11 ARG 53 HH22 ARG 53 18.404 -5.404 -12.685 261 HH12 ARG 53 HH21 ARG 53 19.567 -6.319 -13.586 262 HH21 ARG 53 HH12 ARG 53 20.574 -8.293 -10.848 263 HH22 ARG 53 HH11 ARG 53 20.809 -7.973 -12.534 264 H GLU 54 H GLU 54 14.955 -8.406 -11.763 265 HA GLU 54 HA GLU 54 15.762 -6.430 -13.630 266 HB2 GLU 54 HB2 GLU 54 16.366 -8.209 -14.963 267 HB3 GLU 54 HB3 GLU 54 16.290 -9.057 -13.432 268 HG2 GLU 54 HG2 GLU 54 13.943 -9.750 -13.918 269 HG3 GLU 54 HG3 GLU 54 13.990 -8.876 -15.436 270 HE2 GLU 54 HE2 GLU 54 14.421 -10.420 -17.102 271 H LYS 55 H LYS 55 12.817 -8.457 -13.071 272 HA LYS 55 HA LYS 55 11.417 -7.580 -15.317 273 HB2 LYS 55 HB2 LYS 55 11.032 -9.472 -13.416 274 HB3 LYS 55 HB3 LYS 55 9.888 -8.264 -12.864 275 HG2 LYS 55 HG2 LYS 55 8.533 -8.480 -14.730 276 HG3 LYS 55 HG3 LYS 55 9.878 -8.789 -15.810 277 HD2 LYS 55 HD2 LYS 55 10.105 -11.096 -14.892 278 HD3 LYS 55 HD3 LYS 55 8.791 -10.791 -13.773 279 HE2 LYS 55 HE2 LYS 55 7.831 -11.975 -15.644 280 HE3 LYS 55 HE3 LYS 55 7.288 -10.315 -15.779 281 HZ1 LYS 55 HZ1 LYS 55 8.165 -10.359 -17.786 282 HZ2 LYS 55 HZ2 LYS 55 9.654 -10.396 -17.117 283 HZ3 LYS 55 HZ3 LYS 55 8.915 -11.789 -17.542 284 H PHE 56 H PHE 56 11.845 -6.209 -12.036 285 HA PHE 56 HA PHE 56 9.867 -4.196 -12.448 286 HB2 PHE 56 HB2 PHE 56 10.547 -5.106 -10.210 287 HB3 PHE 56 HB3 PHE 56 12.204 -4.609 -10.489 288 HD1 PHE 56 HD1 PHE 56 12.530 -2.026 -10.928 289 HD2 PHE 56 HD2 PHE 56 9.168 -3.723 -8.972 290 HE1 PHE 56 HE1 PHE 56 12.054 0.181 -9.832 291 HE2 PHE 56 HE2 PHE 56 8.691 -1.516 -7.876 292 HZ PHE 56 HZ PHE 56 10.140 0.410 -8.319 293 H GLU 57 H GLU 57 13.416 -4.498 -12.843 294 HA GLU 57 HA GLU 57 13.956 -1.795 -13.044 295 HB2 GLU 57 HB2 GLU 57 15.756 -3.372 -12.731 296 HB3 GLU 57 HB3 GLU 57 15.337 -4.253 -14.187 297 HG2 GLU 57 HG2 GLU 57 16.041 -1.315 -14.393 298 HG3 GLU 57 HG3 GLU 57 17.328 -2.490 -14.211 299 HE2 GLU 57 HE2 GLU 57 15.623 -0.918 -16.310 300 H LYS 58 H LYS 58 12.760 -4.195 -15.414 301 HA LYS 58 HA LYS 58 13.051 -2.352 -17.606 302 HB2 LYS 58 HB2 LYS 58 11.789 -5.102 -17.402 303 HB3 LYS 58 HB3 LYS 58 11.937 -4.185 -18.887 304 HG2 LYS 58 HG2 LYS 58 14.260 -5.069 -17.109 305 HG3 LYS 58 HG3 LYS 58 13.806 -5.808 -18.632 306 HD2 LYS 58 HD2 LYS 58 14.123 -3.445 -19.681 307 HD3 LYS 58 HD3 LYS 58 14.917 -3.010 -18.181 308 HE2 LYS 58 HE2 LYS 58 16.478 -5.002 -18.515 309 HE3 LYS 58 HE3 LYS 58 15.750 -5.244 -20.091 310 HZ1 LYS 58 HZ1 LYS 58 16.569 -3.227 -20.831 311 HZ2 LYS 58 HZ2 LYS 58 16.862 -2.648 -19.333 312 HZ3 LYS 58 HZ3 LYS 58 17.809 -3.824 -19.954 313 H GLY 59 H GLY 59 11.126 -2.277 -14.971 314 HA2 GLY 59 HA2 GLY 59 9.203 -0.581 -16.174 315 HA3 GLY 59 HA3 GLY 59 8.500 -2.158 -15.871 316 H GLU 60 H GLU 60 10.575 0.331 -14.221 317 HA GLU 60 HA GLU 60 10.161 -0.554 -11.673 318 HB2 GLU 60 HB2 GLU 60 11.025 1.551 -10.961 319 HB3 GLU 60 HB3 GLU 60 11.768 1.256 -12.521 320 HG2 GLU 60 HG2 GLU 60 9.253 2.944 -12.122 321 HG3 GLU 60 HG3 GLU 60 10.870 3.609 -12.233 322 HE2 GLU 60 HE2 GLU 60 11.875 3.497 -14.087 323 H VAL 61 H VAL 61 8.924 0.849 -9.911 324 HA VAL 61 HA VAL 61 6.174 1.060 -10.887 325 HB VAL 61 HB VAL 61 5.528 0.727 -8.590 326 HG11 VAL 61 HG11 VAL 61 5.773 -1.329 -9.682 327 HG12 VAL 61 HG12 VAL 61 7.549 -1.207 -9.725 328 HG13 VAL 61 HG13 VAL 61 6.716 -1.539 -8.187 329 HG21 VAL 61 HG21 VAL 61 8.384 1.328 -8.068 330 HG22 VAL 61 HG22 VAL 61 6.939 1.648 -7.078 331 HG23 VAL 61 HG23 VAL 61 7.676 0.027 -7.081 332 H SER 62 H SER 62 8.890 2.839 -9.465 333 HA SER 62 HA SER 62 9.230 4.966 -9.182 334 HB2 SER 62 HB2 SER 62 6.570 5.417 -10.608 335 HB3 SER 62 HB3 SER 62 7.757 6.663 -10.275 336 HG SER 62 HG SER 62 9.284 5.116 -11.516 337 H ASN 63 H ASN 63 8.187 3.528 -7.037 338 HA ASN 63 HA ASN 63 6.438 5.525 -5.833 339 HB2 ASN 63 HB2 ASN 63 6.469 2.552 -5.115 340 HB3 ASN 63 HB3 ASN 63 5.312 3.752 -4.573 341 HD21 ASN 63 HD21 ASN 63 4.904 5.149 -6.951 342 HD22 ASN 63 HD22 ASN 63 4.058 4.148 -8.084 343 H PHE 64 H PHE 64 8.907 2.906 -5.397 344 HA PHE 64 HA PHE 64 9.572 3.924 -2.765 345 HB2 PHE 64 HB2 PHE 64 10.436 1.596 -4.571 346 HB3 PHE 64 HB3 PHE 64 11.244 1.907 -3.047 347 HD1 PHE 64 HD1 PHE 64 9.993 1.663 -0.914 348 HD2 PHE 64 HD2 PHE 64 8.289 0.554 -4.639 349 HE1 PHE 64 HE1 PHE 64 8.254 0.307 0.285 350 HE2 PHE 64 HE2 PHE 64 6.550 -0.802 -3.439 351 HZ PHE 64 HZ PHE 64 6.553 -0.909 -0.992 352 H ASP 65 H ASP 65 11.122 3.397 -6.002 353 HA ASP 65 HA ASP 65 12.682 4.545 -7.011 354 HB2 ASP 65 HB2 ASP 65 11.751 6.505 -5.433 355 HB3 ASP 65 HB3 ASP 65 13.287 6.291 -4.619 356 HD2 ASP 65 HD2 ASP 65 12.524 8.638 -6.114 357 H ASP 66 H ASP 66 13.061 2.234 -5.135 358 HA ASP 66 HA ASP 66 15.912 2.510 -4.858 359 HB2 ASP 66 HB2 ASP 66 14.785 3.112 -2.626 360 HB3 ASP 66 HB3 ASP 66 14.195 1.463 -2.563 361 HD2 ASP 66 HD2 ASP 66 15.945 3.010 -1.003 362 H VAL 67 H VAL 67 16.265 0.846 -6.402 363 HA VAL 67 HA VAL 67 14.663 -1.373 -6.764 364 HB VAL 67 HB VAL 67 16.347 -0.508 -8.331 365 HG11 VAL 67 HG11 VAL 67 18.452 -1.864 -6.627 366 HG12 VAL 67 HG12 VAL 67 18.685 -0.830 -8.056 367 HG13 VAL 67 HG13 VAL 67 18.102 -0.121 -6.531 368 HG21 VAL 67 HG21 VAL 67 16.959 -2.601 -9.261 369 HG22 VAL 67 HG22 VAL 67 16.997 -3.389 -7.665 370 HG23 VAL 67 HG23 VAL 67 15.442 -2.893 -8.377 371 H GLU 68 H GLU 68 17.685 -1.006 -4.788 372 HA GLU 68 HA GLU 68 17.888 -3.560 -3.928 373 HB2 GLU 68 HB2 GLU 68 19.585 -1.885 -3.438 374 HB3 GLU 68 HB3 GLU 68 18.470 -0.958 -2.454 375 HG2 GLU 68 HG2 GLU 68 18.306 -2.854 -0.837 376 HG3 GLU 68 HG3 GLU 68 19.397 -3.802 -1.828 377 HE2 GLU 68 HE2 GLU 68 21.816 -1.138 -1.420 378 H GLU 69 H GLU 69 15.994 -0.873 -2.380 379 HA GLU 69 HA GLU 69 15.003 -2.506 -0.346 380 HB2 GLU 69 HB2 GLU 69 15.081 0.157 -0.720 381 HB3 GLU 69 HB3 GLU 69 13.447 -0.110 -1.292 382 HG2 GLU 69 HG2 GLU 69 13.266 0.334 1.068 383 HG3 GLU 69 HG3 GLU 69 12.980 -1.383 0.872 384 HE2 GLU 69 HE2 GLU 69 16.309 0.196 1.172 385 H LEU 70 H LEU 70 14.039 -1.902 -3.700 386 HA LEU 70 HA LEU 70 11.373 -2.754 -3.480 387 HB2 LEU 70 HB2 LEU 70 12.893 -1.587 -5.390 388 HB3 LEU 70 HB3 LEU 70 12.833 -3.225 -6.008 389 HG LEU 70 HG LEU 70 11.067 -1.533 -6.807 390 HD11 LEU 70 HD11 LEU 70 10.268 -4.267 -5.774 391 HD12 LEU 70 HD12 LEU 70 9.320 -3.293 -6.923 392 HD13 LEU 70 HD13 LEU 70 10.942 -3.872 -7.373 393 HD21 LEU 70 HD21 LEU 70 9.598 -2.311 -4.294 394 HD22 LEU 70 HD22 LEU 70 10.584 -0.832 -4.378 395 HD23 LEU 70 HD23 LEU 70 9.207 -1.047 -5.485 396 H VAL 71 H VAL 71 14.395 -4.496 -4.492 397 HA VAL 71 HA VAL 71 13.151 -6.970 -4.817 398 HB VAL 71 HB VAL 71 15.462 -7.849 -4.627 399 HG11 VAL 71 HG11 VAL 71 15.020 -5.401 -6.364 400 HG12 VAL 71 HG12 VAL 71 16.384 -6.528 -6.559 401 HG13 VAL 71 HG13 VAL 71 14.714 -7.104 -6.782 402 HG21 VAL 71 HG21 VAL 71 16.301 -4.973 -4.157 403 HG22 VAL 71 HG22 VAL 71 16.188 -6.194 -2.867 404 HG23 VAL 71 HG23 VAL 71 17.336 -6.420 -4.208 405 H LYS 72 H LYS 72 14.611 -5.338 -1.964 406 HA LYS 72 HA LYS 72 14.530 -7.549 -0.264 407 HB2 LYS 72 HB2 LYS 72 15.639 -5.154 -0.077 408 HB3 LYS 72 HB3 LYS 72 14.153 -4.758 0.763 409 HG2 LYS 72 HG2 LYS 72 15.962 -7.115 1.478 410 HG3 LYS 72 HG3 LYS 72 15.986 -5.566 2.297 411 HD2 LYS 72 HD2 LYS 72 13.372 -6.010 2.588 412 HD3 LYS 72 HD3 LYS 72 13.821 -7.681 2.308 413 HE2 LYS 72 HE2 LYS 72 14.853 -5.846 4.517 414 HE3 LYS 72 HE3 LYS 72 13.866 -7.280 4.712 415 HZ1 LYS 72 HZ1 LYS 72 15.880 -8.169 5.064 416 HZ2 LYS 72 HZ2 LYS 72 15.901 -8.314 3.437 417 HZ3 LYS 72 HZ3 LYS 72 16.687 -7.077 4.157 418 H LYS 73 H LYS 73 12.068 -5.151 -1.253 419 HA LYS 73 HA LYS 73 10.195 -6.016 0.718 420 HB2 LYS 73 HB2 LYS 73 10.493 -3.766 -0.808 421 HB3 LYS 73 HB3 LYS 73 9.207 -4.585 -1.672 422 HG2 LYS 73 HG2 LYS 73 7.724 -4.483 0.136 423 HG3 LYS 73 HG3 LYS 73 9.005 -4.483 1.332 424 HD2 LYS 73 HD2 LYS 73 9.069 -2.111 -0.448 425 HD3 LYS 73 HD3 LYS 73 7.588 -2.237 0.481 426 HE2 LYS 73 HE2 LYS 73 8.839 -1.167 2.092 427 HE3 LYS 73 HE3 LYS 73 9.364 -2.797 2.464 428 HZ1 LYS 73 HZ1 LYS 73 11.018 -0.845 1.864 429 HZ2 LYS 73 HZ2 LYS 73 11.369 -2.415 1.585 430 HZ3 LYS 73 HZ3 LYS 73 10.822 -1.472 0.369 431 H VAL 74 H VAL 74 11.196 -7.028 -2.503 432 HA VAL 74 HA VAL 74 8.794 -8.420 -3.113 433 HB VAL 74 HB VAL 74 11.605 -8.649 -4.205 434 HG11 VAL 74 HG11 VAL 74 9.914 -9.392 -6.232 435 HG12 VAL 74 HG12 VAL 74 10.800 -10.516 -5.174 436 HG13 VAL 74 HG13 VAL 74 9.109 -10.097 -4.809 437 HG21 VAL 74 HG21 VAL 74 9.700 -6.557 -4.415 438 HG22 VAL 74 HG22 VAL 74 11.235 -6.743 -5.298 439 HG23 VAL 74 HG23 VAL 74 9.728 -7.395 -5.986 440 H VAL 75 H VAL 75 11.974 -9.256 -1.636 441 HA VAL 75 HA VAL 75 11.368 -12.023 -1.460 442 HB VAL 75 HB VAL 75 13.615 -10.574 -1.371 443 HG11 VAL 75 HG11 VAL 75 12.939 -11.119 1.539 444 HG12 VAL 75 HG12 VAL 75 14.552 -10.670 0.935 445 HG13 VAL 75 HG13 VAL 75 13.193 -9.532 0.775 446 HG21 VAL 75 HG21 VAL 75 14.588 -12.597 -1.340 447 HG22 VAL 75 HG22 VAL 75 13.921 -12.995 0.261 448 HG23 VAL 75 HG23 VAL 75 12.937 -13.246 -1.201 449 H ALA 76 H ALA 76 10.962 -9.153 0.651 450 HA ALA 76 HA ALA 76 10.270 -10.613 2.960 451 HB1 ALA 76 HB1 ALA 76 9.229 -7.846 2.389 452 HB2 ALA 76 HB2 ALA 76 9.899 -8.519 3.895 453 HB3 ALA 76 HB3 ALA 76 10.984 -8.097 2.549 454 H VAL 77 H VAL 77 8.324 -8.997 0.359 455 HA VAL 77 HA VAL 77 5.847 -9.759 1.451 456 HB VAL 77 HB VAL 77 6.668 -9.011 -1.362 457 HG11 VAL 77 HG11 VAL 77 4.324 -10.217 -0.724 458 HG12 VAL 77 HG12 VAL 77 3.896 -8.514 -0.430 459 HG13 VAL 77 HG13 VAL 77 4.502 -9.017 -2.027 460 HG21 VAL 77 HG21 VAL 77 6.548 -6.832 -0.779 461 HG22 VAL 77 HG22 VAL 77 5.178 -7.094 0.328 462 HG23 VAL 77 HG23 VAL 77 6.837 -7.449 0.866 463 H CYS 78 H CYS 78 8.110 -11.264 -0.907 464 HA CYS 78 HA CYS 78 6.415 -13.279 -1.761 465 HB2 CYS 78 HB2 CYS 78 8.349 -12.986 -3.038 466 HB3 CYS 78 HB3 CYS 78 9.408 -12.978 -1.642 467 HG CYS 78 HG CYS 78 9.795 -15.325 -1.403 468 H GLU 79 H GLU 79 8.854 -13.152 0.931 469 HA GLU 79 HA GLU 79 8.301 -15.749 1.802 470 HB2 GLU 79 HB2 GLU 79 9.606 -13.358 3.163 471 HB3 GLU 79 HB3 GLU 79 9.508 -14.937 3.917 472 HG2 GLU 79 HG2 GLU 79 10.599 -14.782 1.108 473 HG3 GLU 79 HG3 GLU 79 11.621 -14.218 2.415 474 HE2 GLU 79 HE2 GLU 79 12.394 -17.092 3.700 475 H GLU 80 H GLU 80 6.821 -12.582 2.385 476 HA GLU 80 HA GLU 80 5.451 -13.433 4.718 477 HB2 GLU 80 HB2 GLU 80 5.365 -10.988 2.938 478 HB3 GLU 80 HB3 GLU 80 4.103 -11.232 4.129 479 HG2 GLU 80 HG2 GLU 80 7.051 -11.390 4.877 480 HG3 GLU 80 HG3 GLU 80 6.192 -9.863 4.854 481 HE2 GLU 80 HE2 GLU 80 6.187 -10.927 8.096 482 H LEU 81 H LEU 81 5.025 -13.815 1.292 483 HA LEU 81 HA LEU 81 2.159 -14.100 1.456 484 HB2 LEU 81 HB2 LEU 81 3.860 -13.327 -0.512 485 HB3 LEU 81 HB3 LEU 81 3.622 -15.009 -0.941 486 HG LEU 81 HG LEU 81 1.517 -12.852 -0.696 487 HD11 LEU 81 HD11 LEU 81 2.888 -12.943 -2.778 488 HD12 LEU 81 HD12 LEU 81 2.273 -14.590 -3.058 489 HD13 LEU 81 HD13 LEU 81 1.148 -13.211 -3.039 490 HD21 LEU 81 HD21 LEU 81 1.160 -15.842 -0.976 491 HD22 LEU 81 HD22 LEU 81 0.489 -14.760 0.268 492 HD23 LEU 81 HD23 LEU 81 -0.096 -14.658 -1.410 493 H GLY 82 H GLY 82 4.469 -15.860 2.818 494 HA2 GLY 82 HA2 GLY 82 4.896 -18.072 3.138 495 HA3 GLY 82 HA3 GLY 82 3.158 -18.109 3.363 496 H ALA 83 H ALA 83 5.115 -17.570 0.355 497 HA ALA 83 HA ALA 83 3.453 -19.431 -1.054 498 HB1 ALA 83 HB1 ALA 83 4.401 -18.508 -2.947 499 HB2 ALA 83 HB2 ALA 83 4.685 -17.180 -1.796 500 HB3 ALA 83 HB3 ALA 83 5.999 -18.316 -2.186 501 H GLU 84 H GLU 84 3.708 -21.564 -0.500 502 HA GLU 84 HA GLU 84 6.459 -22.530 -0.609 503 HB2 GLU 84 HB2 GLU 84 5.448 -24.384 1.005 504 HB3 GLU 84 HB3 GLU 84 6.035 -22.862 1.647 505 HG2 GLU 84 HG2 GLU 84 3.889 -23.167 2.655 506 HG3 GLU 84 HG3 GLU 84 3.633 -21.965 1.406 507 HE2 GLU 84 HE2 GLU 84 1.648 -22.523 0.445 508 H GLU 85 H GLU 85 2.980 -23.064 -1.259 509 HA GLU 85 HA GLU 85 3.158 -24.165 -3.628 510 HB2 GLU 85 HB2 GLU 85 4.158 -26.127 -1.657 511 HB3 GLU 85 HB3 GLU 85 2.877 -26.769 -2.667 512 HG2 GLU 85 HG2 GLU 85 4.973 -25.185 -4.100 513 HG3 GLU 85 HG3 GLU 85 5.516 -26.702 -3.410 514 HE2 GLU 85 HE2 GLU 85 4.571 -28.548 -4.169 515 H CYS 86 H CYS 86 1.143 -25.387 -4.302 516 HA CYS 86 HA CYS 86 -1.031 -24.481 -2.659 517 HB2 CYS 86 HB2 CYS 86 -1.071 -24.172 -5.113 518 HB3 CYS 86 HB3 CYS 86 -1.058 -25.910 -5.338 519 H PHE 87 H PHE 87 -0.618 -25.917 -0.791 520 HA PHE 87 HA PHE 87 -0.275 -28.585 -0.792 521 HB2 PHE 87 HB2 PHE 87 -1.295 -28.452 1.445 522 HB3 PHE 87 HB3 PHE 87 -0.501 -26.917 1.154 523 HD1 PHE 87 HD2 PHE 87 -3.757 -28.613 1.343 524 HD2 PHE 87 HD1 PHE 87 -1.765 -24.888 0.938 525 HE1 PHE 87 HE2 PHE 87 -5.912 -27.411 1.800 526 HE2 PHE 87 HE1 PHE 87 -3.920 -23.686 1.396 527 HZ PHE 87 HZ PHE 87 -5.968 -24.962 1.821 528 H SER 88 H SER 88 -3.429 -26.836 -1.118 529 HA SER 88 HA SER 88 -5.090 -28.965 -0.986 530 HB2 SER 88 HB2 SER 88 -5.196 -26.240 -1.939 531 HB3 SER 88 HB3 SER 88 -6.051 -27.253 -3.085 532 HG SER 88 HG SER 88 -7.617 -27.622 -1.651 533 H CYS 89 H CYS 89 -3.208 -27.735 -3.813 534 HA CYS 89 HA CYS 89 -4.316 -29.402 -5.723 535 HB2 CYS 89 HB2 CYS 89 -1.938 -27.689 -5.486 536 HB3 CYS 89 HB3 CYS 89 -1.695 -29.062 -6.547 537 H ASP 90 H ASP 90 -1.975 -29.927 -3.111 538 HA ASP 90 HA ASP 90 -1.149 -32.440 -4.225 539 HB2 ASP 90 HB2 ASP 90 -0.400 -30.738 -1.856 540 HB3 ASP 90 HB3 ASP 90 -0.074 -32.456 -1.736 541 HD2 ASP 90 HD2 ASP 90 2.937 -31.077 -3.059 542 H PHE 91 H PHE 91 -3.757 -31.183 -2.427 543 HA PHE 91 HA PHE 91 -4.068 -33.506 -0.721 544 HB2 PHE 91 HB2 PHE 91 -4.542 -31.065 -0.057 545 HB3 PHE 91 HB3 PHE 91 -5.818 -31.031 -1.258 546 HD1 PHE 91 HD1 PHE 91 -4.749 -32.966 1.747 547 HD2 PHE 91 HD2 PHE 91 -7.980 -31.553 -0.614 548 HE1 PHE 91 HE1 PHE 91 -6.375 -33.838 3.449 549 HE2 PHE 91 HE2 PHE 91 -9.605 -32.426 1.088 550 HZ PHE 91 HZ PHE 91 -8.783 -33.558 3.099 551 H ASP 92 H ASP 92 -5.116 -35.307 -1.407 552 HA ASP 92 HA ASP 92 -6.168 -35.624 -3.859 553 HB2 ASP 92 HB2 ASP 92 -7.181 -37.657 -3.026 554 HB3 ASP 92 HB3 ASP 92 -5.690 -37.416 -2.136 555 HD2 ASP 92 HD2 ASP 92 -7.351 -37.773 0.801 Start of MODEL 15 1 H SER 16 H SER 16 -0.897 -5.528 -7.215 2 HA SER 16 HA SER 16 -1.826 -2.984 -8.060 3 HB2 SER 16 HB2 SER 16 -1.722 -4.324 -5.323 4 HB3 SER 16 HB3 SER 16 -2.482 -2.772 -5.613 5 HG SER 16 HG SER 16 -3.438 -5.320 -6.126 6 H GLU 17 H GLU 17 0.503 -4.092 -5.481 7 HA GLU 17 HA GLU 17 1.611 -1.439 -5.438 8 HB2 GLU 17 HB2 GLU 17 2.154 -3.939 -3.783 9 HB3 GLU 17 HB3 GLU 17 3.036 -2.440 -3.565 10 HG2 GLU 17 HG2 GLU 17 1.058 -1.243 -2.894 11 HG3 GLU 17 HG3 GLU 17 -0.006 -2.502 -3.489 12 HE2 GLU 17 HE2 GLU 17 -0.638 -2.273 -0.977 13 H ALA 18 H ALA 18 3.988 -1.075 -5.642 14 HA ALA 18 HA ALA 18 5.003 -2.063 -7.995 15 HB1 ALA 18 HB1 ALA 18 6.951 -1.277 -5.883 16 HB2 ALA 18 HB2 ALA 18 6.745 -0.657 -7.539 17 HB3 ALA 18 HB3 ALA 18 5.665 -0.099 -6.239 18 H VAL 19 H VAL 19 5.737 -3.095 -4.593 19 HA VAL 19 HA VAL 19 7.576 -5.055 -5.246 20 HB VAL 19 HB VAL 19 7.190 -4.158 -3.010 21 HG11 VAL 19 HG11 VAL 19 4.678 -5.846 -2.870 22 HG12 VAL 19 HG12 VAL 19 5.288 -4.677 -1.675 23 HG13 VAL 19 HG13 VAL 19 4.663 -4.105 -3.240 24 HG21 VAL 19 HG21 VAL 19 6.864 -7.159 -3.301 25 HG22 VAL 19 HG22 VAL 19 8.374 -6.236 -3.110 26 HG23 VAL 19 HG23 VAL 19 7.223 -6.347 -1.758 27 H TYR 20 H TYR 20 4.000 -5.376 -4.672 28 HA TYR 20 HA TYR 20 3.803 -8.065 -5.213 29 HB2 TYR 20 HB2 TYR 20 2.109 -5.551 -5.450 30 HB3 TYR 20 HB3 TYR 20 1.450 -7.010 -6.163 31 HD1 TYR 20 HD2 TYR 20 3.546 -7.626 -3.297 32 HD2 TYR 20 HD1 TYR 20 -0.434 -6.602 -4.488 33 HE1 TYR 20 HE2 TYR 20 2.672 -8.345 -1.021 34 HE2 TYR 20 HE1 TYR 20 -1.294 -7.325 -2.207 35 HH TYR 20 HH TYR 20 0.333 -7.514 0.353 36 H ILE 21 H ILE 21 4.351 -5.358 -7.417 37 HA ILE 21 HA ILE 21 3.437 -6.716 -9.740 38 HB ILE 21 HB ILE 21 4.516 -4.134 -9.012 39 HG12 ILE 21 HG12 ILE 21 2.249 -4.521 -9.844 40 HG13 ILE 21 HG13 ILE 21 3.120 -3.391 -10.860 41 HG21 ILE 21 HG21 ILE 21 5.667 -5.493 -11.445 42 HG22 ILE 21 HG22 ILE 21 5.481 -3.725 -11.350 43 HG23 ILE 21 HG23 ILE 21 6.503 -4.578 -10.167 44 HD11 ILE 21 HD11 ILE 21 3.682 -5.974 -11.926 45 HD12 ILE 21 HD12 ILE 21 1.936 -5.939 -11.582 46 HD13 ILE 21 HD13 ILE 21 2.659 -4.705 -12.642 47 H ALA 22 H ALA 22 6.715 -5.995 -8.353 48 HA ALA 22 HA ALA 22 8.214 -7.271 -10.257 49 HB1 ALA 22 HB1 ALA 22 9.501 -7.785 -7.829 50 HB2 ALA 22 HB2 ALA 22 9.676 -6.322 -8.827 51 HB3 ALA 22 HB3 ALA 22 8.500 -6.353 -7.491 52 H ILE 23 H ILE 23 6.433 -8.634 -7.440 53 HA ILE 23 HA ILE 23 7.442 -11.268 -7.926 54 HB ILE 23 HB ILE 23 6.433 -11.843 -5.987 55 HG12 ILE 23 HG12 ILE 23 4.240 -9.782 -6.286 56 HG13 ILE 23 HG13 ILE 23 4.126 -11.384 -6.986 57 HG21 ILE 23 HG21 ILE 23 6.109 -9.011 -5.213 58 HG22 ILE 23 HG22 ILE 23 7.103 -10.300 -4.494 59 HG23 ILE 23 HG23 ILE 23 7.679 -9.433 -5.938 60 HD11 ILE 23 HD11 ILE 23 5.020 -11.644 -4.244 61 HD12 ILE 23 HD12 ILE 23 3.570 -10.613 -4.293 62 HD13 ILE 23 HD13 ILE 23 3.521 -12.251 -4.987 63 H GLU 24 H GLU 24 4.605 -9.310 -8.839 64 HA GLU 24 HA GLU 24 3.121 -11.511 -9.765 65 HB2 GLU 24 HB2 GLU 24 2.046 -9.394 -9.123 66 HB3 GLU 24 HB3 GLU 24 2.916 -8.530 -10.375 67 HG2 GLU 24 HG2 GLU 24 1.724 -9.664 -12.138 68 HG3 GLU 24 HG3 GLU 24 1.106 -10.885 -11.044 69 HE2 GLU 24 HE2 GLU 24 -1.763 -8.978 -10.898 70 H ALA 25 H ALA 25 5.893 -9.842 -10.956 71 HA ALA 25 HA ALA 25 5.440 -9.907 -13.704 72 HB1 ALA 25 HB1 ALA 25 8.115 -10.335 -12.338 73 HB2 ALA 25 HB2 ALA 25 7.779 -9.511 -13.880 74 HB3 ALA 25 HB3 ALA 25 7.293 -8.756 -12.343 75 H GLY 26 H GLY 26 5.757 -12.458 -11.396 76 HA2 GLY 26 HA2 GLY 26 5.103 -14.630 -12.375 77 HA3 GLY 26 HA3 GLY 26 6.357 -14.373 -13.572 78 H THR 27 H THR 27 6.418 -13.660 -10.020 79 HA THR 27 HA THR 27 8.856 -15.264 -9.847 80 HB THR 27 HB THR 27 8.380 -12.743 -9.015 81 HG1 THR 27 HG1 THR 27 9.790 -15.037 -7.952 82 HG21 THR 27 HG21 THR 27 6.576 -13.231 -7.419 83 HG22 THR 27 HG22 THR 27 7.521 -14.558 -6.703 84 HG23 THR 27 HG23 THR 27 8.053 -12.873 -6.492 85 H LEU 28 H LEU 28 5.628 -14.895 -8.258 86 HA LEU 28 HA LEU 28 5.943 -17.687 -7.411 87 HB2 LEU 28 HB2 LEU 28 4.609 -17.018 -5.372 88 HB3 LEU 28 HB3 LEU 28 6.297 -16.552 -5.424 89 HG LEU 28 HG LEU 28 5.097 -14.323 -6.479 90 HD11 LEU 28 HD11 LEU 28 2.977 -15.785 -5.328 91 HD12 LEU 28 HD12 LEU 28 3.329 -14.441 -4.215 92 HD13 LEU 28 HD13 LEU 28 2.962 -14.108 -5.924 93 HD21 LEU 28 HD21 LEU 28 5.188 -13.835 -3.730 94 HD22 LEU 28 HD22 LEU 28 6.396 -15.111 -4.011 95 HD23 LEU 28 HD23 LEU 28 6.490 -13.581 -4.916 96 H ALA 29 H ALA 29 3.803 -18.783 -7.040 97 HA ALA 29 HA ALA 29 1.694 -17.542 -8.661 98 HB1 ALA 29 HB1 ALA 29 2.481 -19.078 -10.210 99 HB2 ALA 29 HB2 ALA 29 3.044 -20.213 -8.960 100 HB3 ALA 29 HB3 ALA 29 1.308 -20.085 -9.328 101 H GLU 30 H GLU 30 -0.487 -18.582 -8.216 102 HA GLU 30 HA GLU 30 -0.614 -19.953 -5.696 103 HB2 GLU 30 HB2 GLU 30 -2.063 -18.346 -4.603 104 HB3 GLU 30 HB3 GLU 30 -0.610 -17.507 -5.107 105 HG2 GLU 30 HG2 GLU 30 -2.339 -16.046 -5.798 106 HG3 GLU 30 HG3 GLU 30 -1.921 -16.893 -7.274 107 HE2 GLU 30 HE2 GLU 30 -4.700 -16.646 -7.811 108 H CYS 31 H CYS 31 -2.466 -21.270 -5.533 109 HA CYS 31 HA CYS 31 -3.711 -21.979 -7.884 110 HB2 CYS 31 HB2 CYS 31 -3.608 -22.974 -5.302 111 HB3 CYS 31 HB3 CYS 31 -5.298 -22.542 -5.475 112 H GLU 32 H GLU 32 -5.267 -20.926 -9.070 113 HA GLU 32 HA GLU 32 -6.506 -18.634 -7.921 114 HB2 GLU 32 HB2 GLU 32 -6.424 -19.913 -10.653 115 HB3 GLU 32 HB3 GLU 32 -7.679 -18.738 -10.315 116 HG2 GLU 32 HG2 GLU 32 -4.768 -18.129 -9.683 117 HG3 GLU 32 HG3 GLU 32 -5.404 -17.888 -11.298 118 HE2 GLU 32 HE2 GLU 32 -7.847 -15.816 -9.133 119 H VAL 33 H VAL 33 -7.112 -21.869 -7.586 120 HA VAL 33 HA VAL 33 -10.025 -21.511 -7.656 121 HB VAL 33 HB VAL 33 -9.919 -23.398 -8.815 122 HG11 VAL 33 HG11 VAL 33 -7.075 -23.739 -7.810 123 HG12 VAL 33 HG12 VAL 33 -7.863 -24.822 -8.982 124 HG13 VAL 33 HG13 VAL 33 -7.598 -23.110 -9.391 125 HG21 VAL 33 HG21 VAL 33 -9.409 -25.519 -7.421 126 HG22 VAL 33 HG22 VAL 33 -9.204 -24.394 -6.057 127 HG23 VAL 33 HG23 VAL 33 -10.761 -24.477 -6.916 128 H HIS 34 H HIS 34 -7.315 -21.415 -5.624 129 HA HIS 34 HA HIS 34 -9.047 -21.976 -3.336 130 HB2 HIS 34 HB2 HIS 34 -6.129 -22.615 -3.158 131 HB3 HIS 34 HB3 HIS 34 -7.476 -23.269 -2.247 132 HD1 HIS 34 HD1 HIS 34 -6.883 -23.220 -6.043 133 HD2 HIS 34 HD2 HIS 34 -7.530 -25.918 -2.897 134 HE1 HIS 34 HE1 HIS 34 -7.029 -25.535 -7.106 135 H GLU 35 H GLU 35 -9.471 -19.874 -2.732 136 HA GLU 35 HA GLU 35 -7.501 -17.878 -2.955 137 HB2 GLU 35 HB2 GLU 35 -10.219 -18.000 -1.597 138 HB3 GLU 35 HB3 GLU 35 -9.220 -16.562 -1.532 139 HG2 GLU 35 HG2 GLU 35 -9.176 -16.444 -4.011 140 HG3 GLU 35 HG3 GLU 35 -10.096 -17.932 -4.119 141 HE2 GLU 35 HE2 GLU 35 -12.903 -16.294 -4.289 142 H GLY 36 H GLY 36 -5.851 -17.393 -1.568 143 HA2 GLY 36 HA2 GLY 36 -5.194 -16.893 0.686 144 HA3 GLY 36 HA3 GLY 36 -6.129 -18.267 1.241 145 H THR 37 H THR 37 -5.193 -19.866 -1.239 146 HA THR 37 HA THR 37 -2.720 -20.781 -0.004 147 HB THR 37 HB THR 37 -3.644 -22.262 -2.351 148 HG1 THR 37 HG1 THR 37 -5.480 -21.725 -0.125 149 HG21 THR 37 HG21 THR 37 -3.513 -24.085 -0.902 150 HG22 THR 37 HG22 THR 37 -2.509 -22.946 0.027 151 HG23 THR 37 HG23 THR 37 -4.221 -23.179 0.457 152 H TYR 38 H TYR 38 -0.718 -20.434 -0.761 153 HA TYR 38 HA TYR 38 -0.469 -19.556 -3.541 154 HB2 TYR 38 HB2 TYR 38 0.238 -18.196 -0.914 155 HB3 TYR 38 HB3 TYR 38 1.376 -17.996 -2.231 156 HD1 TYR 38 HD2 TYR 38 -2.321 -17.731 -1.612 157 HD2 TYR 38 HD1 TYR 38 1.112 -16.157 -3.622 158 HE1 TYR 38 HE2 TYR 38 -3.731 -15.836 -2.551 159 HE2 TYR 38 HE1 TYR 38 -0.309 -14.267 -4.554 160 HH TYR 38 HH TYR 38 -3.678 -13.889 -3.566 161 H PHE 39 H PHE 39 2.070 -19.334 -4.010 162 HA PHE 39 HA PHE 39 3.799 -20.940 -2.493 163 HB2 PHE 39 HB2 PHE 39 3.870 -22.906 -3.981 164 HB3 PHE 39 HB3 PHE 39 2.199 -22.671 -3.507 165 HD1 PHE 39 HD2 PHE 39 0.548 -21.879 -5.116 166 HD2 PHE 39 HD1 PHE 39 4.587 -22.490 -6.264 167 HE1 PHE 39 HE2 PHE 39 -0.126 -21.798 -7.533 168 HE2 PHE 39 HE1 PHE 39 3.913 -22.409 -8.680 169 HZ PHE 39 HZ PHE 39 1.564 -22.064 -9.286 170 H SER 40 H SER 40 5.676 -19.864 -2.863 171 HA SER 40 HA SER 40 5.995 -18.602 -5.434 172 HB2 SER 40 HB2 SER 40 7.809 -18.461 -2.987 173 HB3 SER 40 HB3 SER 40 7.864 -17.404 -4.385 174 HG SER 40 HG SER 40 6.518 -16.941 -2.187 175 H ASP 41 H ASP 41 7.889 -18.957 -6.790 176 HA ASP 41 HA ASP 41 8.539 -21.450 -7.330 177 HB2 ASP 41 HB2 ASP 41 9.505 -18.906 -8.044 178 HB3 ASP 41 HB3 ASP 41 10.942 -19.741 -7.489 179 HD2 ASP 41 HD2 ASP 41 11.456 -19.797 -10.249 180 H SER 42 H SER 42 8.948 -22.885 -5.562 181 HA SER 42 HA SER 42 10.710 -22.165 -3.491 182 HB2 SER 42 HB2 SER 42 10.503 -24.694 -2.958 183 HB3 SER 42 HB3 SER 42 9.044 -23.726 -2.887 184 HG SER 42 HG SER 42 8.194 -24.917 -4.443 185 H GLY 43 H GLY 43 12.888 -22.808 -3.128 186 HA2 GLY 43 HA2 GLY 43 14.719 -24.258 -3.684 187 HA3 GLY 43 HA3 GLY 43 14.185 -24.258 -5.353 188 H ASP 44 H ASP 44 13.495 -21.293 -5.239 189 HA ASP 44 HA ASP 44 16.125 -20.164 -4.864 190 HB2 ASP 44 HB2 ASP 44 15.659 -20.994 -7.329 191 HB3 ASP 44 HB3 ASP 44 14.601 -19.601 -7.428 192 HD2 ASP 44 HD2 ASP 44 17.626 -17.573 -6.754 193 H ILE 45 H ILE 45 14.938 -19.084 -3.067 194 HA ILE 45 HA ILE 45 12.616 -17.540 -3.648 195 HB ILE 45 HB ILE 45 12.723 -16.874 -1.367 196 HG12 ILE 45 HG12 ILE 45 15.084 -18.162 -0.396 197 HG13 ILE 45 HG13 ILE 45 15.551 -17.106 -1.714 198 HG21 ILE 45 HG21 ILE 45 13.698 -19.574 -0.844 199 HG22 ILE 45 HG22 ILE 45 12.077 -18.873 -0.626 200 HG23 ILE 45 HG23 ILE 45 12.567 -19.504 -2.216 201 HD11 ILE 45 HD11 ILE 45 14.635 -15.171 -0.658 202 HD12 ILE 45 HD12 ILE 45 13.666 -16.148 0.471 203 HD13 ILE 45 HD13 ILE 45 15.435 -16.066 0.657 204 H SER 46 H SER 46 16.130 -17.024 -3.630 205 HA SER 46 HA SER 46 15.989 -14.232 -3.546 206 HB2 SER 46 HB2 SER 46 18.369 -14.505 -4.621 207 HB3 SER 46 HB3 SER 46 18.097 -15.081 -2.989 208 HG SER 46 HG SER 46 19.118 -16.514 -4.886 209 H GLU 47 H GLU 47 15.458 -16.643 -6.044 210 HA GLU 47 HA GLU 47 16.151 -15.224 -8.283 211 HB2 GLU 47 HB2 GLU 47 14.754 -17.638 -7.653 212 HB3 GLU 47 HB3 GLU 47 13.733 -16.751 -8.768 213 HG2 GLU 47 HG2 GLU 47 15.864 -16.410 -10.211 214 HG3 GLU 47 HG3 GLU 47 16.626 -17.610 -9.187 215 HE2 GLU 47 HE2 GLU 47 16.412 -18.379 -11.671 216 H ALA 48 H ALA 48 13.430 -14.839 -6.065 217 HA ALA 48 HA ALA 48 11.754 -13.409 -7.843 218 HB1 ALA 48 HB1 ALA 48 11.848 -13.302 -4.804 219 HB2 ALA 48 HB2 ALA 48 10.458 -12.951 -5.859 220 HB3 ALA 48 HB3 ALA 48 11.076 -14.615 -5.726 221 H GLU 49 H GLU 49 14.245 -12.497 -5.390 222 HA GLU 49 HA GLU 49 13.816 -9.774 -5.563 223 HB2 GLU 49 HB2 GLU 49 15.541 -9.656 -4.072 224 HB3 GLU 49 HB3 GLU 49 15.394 -11.402 -4.039 225 HG2 GLU 49 HG2 GLU 49 17.109 -11.566 -5.871 226 HG3 GLU 49 HG3 GLU 49 17.274 -9.821 -5.858 227 HE2 GLU 49 HE2 GLU 49 17.167 -11.855 -2.826 228 H GLU 50 H GLU 50 15.995 -11.981 -7.415 229 HA GLU 50 HA GLU 50 17.252 -9.939 -8.831 230 HB2 GLU 50 HB2 GLU 50 18.371 -12.018 -8.812 231 HB3 GLU 50 HB3 GLU 50 16.924 -12.921 -9.217 232 HG2 GLU 50 HG2 GLU 50 18.084 -10.903 -11.172 233 HG3 GLU 50 HG3 GLU 50 18.731 -12.529 -11.082 234 HE2 GLU 50 HE2 GLU 50 17.327 -11.611 -13.348 235 H LEU 51 H LEU 51 14.492 -12.143 -9.681 236 HA LEU 51 HA LEU 51 14.047 -11.114 -12.217 237 HB2 LEU 51 HB2 LEU 51 12.895 -13.012 -12.003 238 HB3 LEU 51 HB3 LEU 51 12.663 -12.812 -10.278 239 HG LEU 51 HG LEU 51 10.581 -12.866 -11.739 240 HD11 LEU 51 HD11 LEU 51 10.883 -11.914 -9.334 241 HD12 LEU 51 HD12 LEU 51 10.663 -10.334 -10.125 242 HD13 LEU 51 HD13 LEU 51 9.389 -11.572 -10.240 243 HD21 LEU 51 HD21 LEU 51 10.586 -10.030 -12.296 244 HD22 LEU 51 HD22 LEU 51 11.932 -10.842 -13.131 245 HD23 LEU 51 HD23 LEU 51 10.262 -11.405 -13.379 246 H ALA 52 H ALA 52 13.012 -9.996 -8.975 247 HA ALA 52 HA ALA 52 11.143 -8.113 -9.890 248 HB1 ALA 52 HB1 ALA 52 11.143 -8.885 -7.599 249 HB2 ALA 52 HB2 ALA 52 12.813 -8.321 -7.356 250 HB3 ALA 52 HB3 ALA 52 11.501 -7.142 -7.589 251 H ARG 53 H ARG 53 14.694 -8.018 -9.312 252 HA ARG 53 HA ARG 53 14.929 -5.275 -9.615 253 HB2 ARG 53 HB2 ARG 53 17.140 -5.716 -9.210 254 HB3 ARG 53 HB3 ARG 53 16.632 -7.379 -8.990 255 HG2 ARG 53 HG2 ARG 53 16.975 -7.747 -11.486 256 HG3 ARG 53 HG3 ARG 53 17.631 -6.125 -11.590 257 HD2 ARG 53 HD2 ARG 53 19.529 -6.670 -10.240 258 HD3 ARG 53 HD3 ARG 53 18.771 -8.109 -9.589 259 HE ARG 53 HE ARG 53 19.014 -8.312 -12.465 260 HH11 ARG 53 HH22 ARG 53 20.882 -8.544 -9.492 261 HH12 ARG 53 HH21 ARG 53 22.066 -9.611 -10.169 262 HH21 ARG 53 HH12 ARG 53 20.576 -9.720 -13.359 263 HH22 ARG 53 HH11 ARG 53 21.891 -10.285 -12.383 264 H GLU 54 H GLU 54 14.796 -8.000 -11.920 265 HA GLU 54 HA GLU 54 15.793 -6.593 -14.115 266 HB2 GLU 54 HB2 GLU 54 15.587 -9.114 -13.874 267 HB3 GLU 54 HB3 GLU 54 13.862 -8.952 -14.135 268 HG2 GLU 54 HG2 GLU 54 14.463 -7.699 -16.327 269 HG3 GLU 54 HG3 GLU 54 16.103 -8.265 -16.081 270 HE2 GLU 54 HE2 GLU 54 16.203 -10.782 -15.896 271 H LYS 55 H LYS 55 12.393 -7.450 -13.140 272 HA LYS 55 HA LYS 55 11.232 -5.908 -15.195 273 HB2 LYS 55 HB2 LYS 55 10.314 -7.885 -13.697 274 HB3 LYS 55 HB3 LYS 55 9.778 -6.580 -12.659 275 HG2 LYS 55 HG2 LYS 55 8.975 -5.611 -15.102 276 HG3 LYS 55 HG3 LYS 55 8.846 -7.334 -15.398 277 HD2 LYS 55 HD2 LYS 55 7.075 -7.590 -13.953 278 HD3 LYS 55 HD3 LYS 55 7.743 -6.481 -12.772 279 HE2 LYS 55 HE2 LYS 55 6.668 -5.420 -15.406 280 HE3 LYS 55 HE3 LYS 55 5.563 -5.801 -14.100 281 HZ1 LYS 55 HZ1 LYS 55 7.586 -4.375 -12.952 282 HZ2 LYS 55 HZ2 LYS 55 7.284 -3.597 -14.356 283 HZ3 LYS 55 HZ3 LYS 55 6.079 -3.839 -13.280 284 H PHE 56 H PHE 56 12.417 -5.216 -11.921 285 HA PHE 56 HA PHE 56 11.033 -2.780 -11.615 286 HB2 PHE 56 HB2 PHE 56 12.005 -3.990 -9.711 287 HB3 PHE 56 HB3 PHE 56 13.573 -4.078 -10.490 288 HD1 PHE 56 HD2 PHE 56 14.621 -1.682 -11.052 289 HD2 PHE 56 HD1 PHE 56 11.731 -2.433 -8.036 290 HE1 PHE 56 HE2 PHE 56 15.336 0.402 -9.848 291 HE2 PHE 56 HE1 PHE 56 12.446 -0.350 -6.833 292 HZ PHE 56 HZ PHE 56 14.240 1.043 -7.753 293 H GLU 57 H GLU 57 14.272 -3.686 -12.920 294 HA GLU 57 HA GLU 57 15.097 -1.018 -13.208 295 HB2 GLU 57 HB2 GLU 57 16.712 -2.857 -13.045 296 HB3 GLU 57 HB3 GLU 57 16.080 -3.598 -14.501 297 HG2 GLU 57 HG2 GLU 57 16.827 -1.708 -15.870 298 HG3 GLU 57 HG3 GLU 57 17.271 -0.788 -14.447 299 HE2 GLU 57 HE2 GLU 57 18.885 -1.614 -13.209 300 H LYS 58 H LYS 58 13.251 -3.313 -15.202 301 HA LYS 58 HA LYS 58 13.484 -1.688 -17.563 302 HB2 LYS 58 HB2 LYS 58 13.375 -4.012 -17.953 303 HB3 LYS 58 HB3 LYS 58 12.026 -4.234 -16.858 304 HG2 LYS 58 HG2 LYS 58 11.664 -2.381 -19.217 305 HG3 LYS 58 HG3 LYS 58 11.656 -4.109 -19.509 306 HD2 LYS 58 HD2 LYS 58 9.983 -3.156 -17.210 307 HD3 LYS 58 HD3 LYS 58 9.427 -2.697 -18.807 308 HE2 LYS 58 HE2 LYS 58 9.766 -5.214 -19.441 309 HE3 LYS 58 HE3 LYS 58 9.862 -5.504 -17.715 310 HZ1 LYS 58 HZ1 LYS 58 7.608 -5.615 -18.827 311 HZ2 LYS 58 HZ2 LYS 58 7.705 -4.790 -17.421 312 HZ3 LYS 58 HZ3 LYS 58 7.636 -3.982 -18.838 313 H GLY 59 H GLY 59 12.001 -1.168 -14.676 314 HA2 GLY 59 HA2 GLY 59 10.292 0.838 -15.670 315 HA3 GLY 59 HA3 GLY 59 9.337 -0.581 -15.288 316 H GLU 60 H GLU 60 11.808 1.680 -13.927 317 HA GLU 60 HA GLU 60 11.407 0.768 -11.294 318 HB2 GLU 60 HB2 GLU 60 12.492 3.517 -11.900 319 HB3 GLU 60 HB3 GLU 60 13.013 2.367 -10.684 320 HG2 GLU 60 HG2 GLU 60 14.693 1.838 -12.129 321 HG3 GLU 60 HG3 GLU 60 13.478 0.948 -13.026 322 HE2 GLU 60 HE2 GLU 60 15.166 1.643 -14.545 323 H VAL 61 H VAL 61 9.986 1.470 -9.708 324 HA VAL 61 HA VAL 61 8.472 3.902 -10.234 325 HB VAL 61 HB VAL 61 6.940 2.469 -11.159 326 HG11 VAL 61 HG11 VAL 61 7.459 0.290 -11.120 327 HG12 VAL 61 HG12 VAL 61 8.318 0.438 -9.568 328 HG13 VAL 61 HG13 VAL 61 6.553 0.208 -9.590 329 HG21 VAL 61 HG21 VAL 61 6.166 3.662 -8.953 330 HG22 VAL 61 HG22 VAL 61 5.100 2.483 -9.753 331 HG23 VAL 61 HG23 VAL 61 6.049 2.001 -8.326 332 H SER 62 H SER 62 7.788 1.269 -7.892 333 HA SER 62 HA SER 62 7.681 1.306 -5.717 334 HB2 SER 62 HB2 SER 62 10.246 2.869 -5.498 335 HB3 SER 62 HB3 SER 62 9.743 1.440 -4.618 336 HG SER 62 HG SER 62 10.729 0.227 -6.071 337 H ASN 63 H ASN 63 6.343 3.532 -7.013 338 HA ASN 63 HA ASN 63 5.634 5.588 -6.716 339 HB2 ASN 63 HB2 ASN 63 5.730 4.952 -3.731 340 HB3 ASN 63 HB3 ASN 63 4.541 5.925 -4.574 341 HD21 ASN 63 HD21 ASN 63 3.205 4.857 -6.206 342 HD22 ASN 63 HD22 ASN 63 2.701 3.218 -5.959 343 H PHE 64 H PHE 64 8.561 5.443 -6.767 344 HA PHE 64 HA PHE 64 10.235 6.878 -6.523 345 HB2 PHE 64 HB2 PHE 64 8.062 8.469 -6.067 346 HB3 PHE 64 HB3 PHE 64 8.708 8.479 -4.438 347 HD1 PHE 64 HD1 PHE 64 11.655 8.199 -5.780 348 HD2 PHE 64 HD2 PHE 64 8.422 10.935 -6.051 349 HE1 PHE 64 HE1 PHE 64 13.253 10.024 -6.426 350 HE2 PHE 64 HE2 PHE 64 10.021 12.760 -6.697 351 HZ PHE 64 HZ PHE 64 12.417 12.282 -6.877 352 H ASP 65 H ASP 65 10.818 4.731 -5.307 353 HA ASP 65 HA ASP 65 11.594 5.553 -2.628 354 HB2 ASP 65 HB2 ASP 65 10.169 3.051 -3.519 355 HB3 ASP 65 HB3 ASP 65 11.370 2.883 -2.254 356 HD2 ASP 65 HD2 ASP 65 8.560 5.485 -2.141 357 H ASP 66 H ASP 66 13.199 3.414 -1.899 358 HA ASP 66 HA ASP 66 15.318 3.655 -3.779 359 HB2 ASP 66 HB2 ASP 66 15.176 1.924 -1.269 360 HB3 ASP 66 HB3 ASP 66 16.633 2.430 -2.100 361 HD2 ASP 66 HD2 ASP 66 17.558 4.329 -1.041 362 H VAL 67 H VAL 67 16.364 1.794 -4.854 363 HA VAL 67 HA VAL 67 14.526 -0.135 -5.779 364 HB VAL 67 HB VAL 67 17.533 -0.205 -6.010 365 HG11 VAL 67 HG11 VAL 67 15.257 -1.553 -7.341 366 HG12 VAL 67 HG12 VAL 67 16.529 -0.948 -8.428 367 HG13 VAL 67 HG13 VAL 67 16.942 -2.084 -7.122 368 HG21 VAL 67 HG21 VAL 67 17.531 1.731 -7.113 369 HG22 VAL 67 HG22 VAL 67 16.364 1.065 -8.280 370 HG23 VAL 67 HG23 VAL 67 15.784 1.908 -6.824 371 H GLU 68 H GLU 68 17.563 -0.474 -3.800 372 HA GLU 68 HA GLU 68 17.318 -3.103 -3.249 373 HB2 GLU 68 HB2 GLU 68 19.282 -1.758 -2.638 374 HB3 GLU 68 HB3 GLU 68 18.352 -0.873 -1.444 375 HG2 GLU 68 HG2 GLU 68 19.473 -2.504 -0.146 376 HG3 GLU 68 HG3 GLU 68 17.875 -3.192 -0.351 377 HE2 GLU 68 HE2 GLU 68 19.224 -6.023 -1.618 378 H GLU 69 H GLU 69 15.380 -0.425 -2.032 379 HA GLU 69 HA GLU 69 14.427 -1.821 0.235 380 HB2 GLU 69 HB2 GLU 69 14.458 0.634 0.175 381 HB3 GLU 69 HB3 GLU 69 13.396 0.653 -1.219 382 HG2 GLU 69 HG2 GLU 69 12.138 1.099 0.879 383 HG3 GLU 69 HG3 GLU 69 11.572 -0.364 0.098 384 HE2 GLU 69 HE2 GLU 69 11.963 -1.808 3.226 385 H LEU 70 H LEU 70 13.086 -1.020 -3.042 386 HA LEU 70 HA LEU 70 10.646 -2.319 -2.663 387 HB2 LEU 70 HB2 LEU 70 11.563 -0.658 -4.487 388 HB3 LEU 70 HB3 LEU 70 11.954 -2.136 -5.345 389 HG LEU 70 HG LEU 70 9.409 -0.791 -5.035 390 HD11 LEU 70 HD11 LEU 70 10.301 -1.369 -7.187 391 HD12 LEU 70 HD12 LEU 70 10.382 -3.092 -6.747 392 HD13 LEU 70 HD13 LEU 70 8.802 -2.293 -6.928 393 HD21 LEU 70 HD21 LEU 70 9.570 -3.649 -4.083 394 HD22 LEU 70 HD22 LEU 70 8.764 -2.255 -3.324 395 HD23 LEU 70 HD23 LEU 70 8.089 -2.975 -4.805 396 H VAL 71 H VAL 71 13.676 -3.453 -4.322 397 HA VAL 71 HA VAL 71 12.796 -5.999 -4.884 398 HB VAL 71 HB VAL 71 15.274 -6.544 -4.786 399 HG11 VAL 71 HG11 VAL 71 14.147 -5.854 -6.846 400 HG12 VAL 71 HG12 VAL 71 14.379 -4.142 -6.416 401 HG13 VAL 71 HG13 VAL 71 15.789 -5.170 -6.766 402 HG21 VAL 71 HG21 VAL 71 16.588 -5.206 -3.574 403 HG22 VAL 71 HG22 VAL 71 16.339 -3.946 -4.806 404 HG23 VAL 71 HG23 VAL 71 15.285 -4.010 -3.373 405 H LYS 72 H LYS 72 14.276 -4.659 -1.881 406 HA LYS 72 HA LYS 72 14.533 -7.096 -0.554 407 HB2 LYS 72 HB2 LYS 72 15.723 -5.199 0.241 408 HB3 LYS 72 HB3 LYS 72 14.266 -4.238 0.391 409 HG2 LYS 72 HG2 LYS 72 14.427 -6.824 1.942 410 HG3 LYS 72 HG3 LYS 72 15.364 -5.458 2.516 411 HD2 LYS 72 HD2 LYS 72 13.171 -4.076 2.327 412 HD3 LYS 72 HD3 LYS 72 12.346 -5.609 2.133 413 HE2 LYS 72 HE2 LYS 72 12.293 -4.983 4.499 414 HE3 LYS 72 HE3 LYS 72 13.315 -6.394 4.315 415 HZ1 LYS 72 HZ1 LYS 72 14.027 -4.053 5.461 416 HZ2 LYS 72 HZ2 LYS 72 15.048 -5.248 5.018 417 HZ3 LYS 72 HZ3 LYS 72 14.776 -3.992 4.011 418 H LYS 73 H LYS 73 11.768 -4.896 -1.057 419 HA LYS 73 HA LYS 73 10.134 -6.215 0.872 420 HB2 LYS 73 HB2 LYS 73 10.067 -3.772 -0.265 421 HB3 LYS 73 HB3 LYS 73 8.924 -4.591 -1.310 422 HG2 LYS 73 HG2 LYS 73 7.441 -5.092 0.470 423 HG3 LYS 73 HG3 LYS 73 8.690 -4.937 1.690 424 HD2 LYS 73 HD2 LYS 73 7.457 -2.943 1.964 425 HD3 LYS 73 HD3 LYS 73 8.808 -2.422 0.977 426 HE2 LYS 73 HE2 LYS 73 7.088 -1.513 -0.285 427 HE3 LYS 73 HE3 LYS 73 7.151 -3.096 -1.035 428 HZ1 LYS 73 HZ1 LYS 73 5.441 -2.607 1.286 429 HZ2 LYS 73 HZ2 LYS 73 4.929 -2.259 -0.226 430 HZ3 LYS 73 HZ3 LYS 73 5.324 -3.793 0.170 431 H VAL 74 H VAL 74 10.986 -6.661 -2.529 432 HA VAL 74 HA VAL 74 8.755 -8.185 -3.273 433 HB VAL 74 HB VAL 74 11.605 -8.113 -4.275 434 HG11 VAL 74 HG11 VAL 74 9.607 -8.952 -6.218 435 HG12 VAL 74 HG12 VAL 74 11.155 -9.710 -5.773 436 HG13 VAL 74 HG13 VAL 74 9.686 -10.069 -4.833 437 HG21 VAL 74 HG21 VAL 74 9.941 -6.055 -4.337 438 HG22 VAL 74 HG22 VAL 74 10.979 -6.443 -5.729 439 HG23 VAL 74 HG23 VAL 74 9.267 -6.931 -5.732 440 H VAL 75 H VAL 75 12.088 -9.197 -2.223 441 HA VAL 75 HA VAL 75 11.405 -11.922 -2.105 442 HB VAL 75 HB VAL 75 13.682 -10.854 -2.338 443 HG11 VAL 75 HG11 VAL 75 14.899 -10.338 -0.251 444 HG12 VAL 75 HG12 VAL 75 13.534 -9.229 -0.523 445 HG13 VAL 75 HG13 VAL 75 13.389 -10.544 0.669 446 HG21 VAL 75 HG21 VAL 75 13.137 -13.303 -1.762 447 HG22 VAL 75 HG22 VAL 75 14.787 -12.721 -1.434 448 HG23 VAL 75 HG23 VAL 75 13.620 -12.883 -0.100 449 H ALA 76 H ALA 76 11.185 -9.193 0.184 450 HA ALA 76 HA ALA 76 10.813 -10.723 2.501 451 HB1 ALA 76 HB1 ALA 76 9.941 -8.615 3.426 452 HB2 ALA 76 HB2 ALA 76 11.402 -8.318 2.454 453 HB3 ALA 76 HB3 ALA 76 9.796 -7.943 1.784 454 H VAL 77 H VAL 77 8.676 -9.755 -0.178 455 HA VAL 77 HA VAL 77 6.281 -10.440 1.214 456 HB VAL 77 HB VAL 77 6.966 -8.992 -1.031 457 HG11 VAL 77 HG11 VAL 77 5.378 -11.407 -1.962 458 HG12 VAL 77 HG12 VAL 77 5.853 -9.992 -2.932 459 HG13 VAL 77 HG13 VAL 77 7.095 -11.117 -2.330 460 HG21 VAL 77 HG21 VAL 77 4.127 -9.891 -0.682 461 HG22 VAL 77 HG22 VAL 77 4.921 -9.015 0.648 462 HG23 VAL 77 HG23 VAL 77 4.784 -8.260 -0.958 463 H CYS 78 H CYS 78 8.545 -12.042 -1.075 464 HA CYS 78 HA CYS 78 7.007 -14.254 -1.644 465 HB2 CYS 78 HB2 CYS 78 10.027 -14.206 -1.347 466 HB3 CYS 78 HB3 CYS 78 9.080 -15.348 -2.280 467 HG CYS 78 HG CYS 78 8.454 -13.960 -4.182 468 H GLU 79 H GLU 79 9.470 -13.704 0.977 469 HA GLU 79 HA GLU 79 8.962 -16.202 2.162 470 HB2 GLU 79 HB2 GLU 79 10.250 -15.068 4.129 471 HB3 GLU 79 HB3 GLU 79 11.099 -15.338 2.620 472 HG2 GLU 79 HG2 GLU 79 11.372 -13.106 2.256 473 HG3 GLU 79 HG3 GLU 79 9.684 -12.766 2.581 474 HE2 GLU 79 HE2 GLU 79 9.984 -12.575 5.943 475 H GLU 80 H GLU 80 7.823 -12.834 2.726 476 HA GLU 80 HA GLU 80 6.534 -13.338 5.119 477 HB2 GLU 80 HB2 GLU 80 6.971 -11.066 4.390 478 HB3 GLU 80 HB3 GLU 80 6.028 -11.284 2.929 479 HG2 GLU 80 HG2 GLU 80 3.959 -11.574 4.280 480 HG3 GLU 80 HG3 GLU 80 4.886 -11.429 5.760 481 HE2 GLU 80 HE2 GLU 80 3.184 -9.808 3.562 482 H LEU 81 H LEU 81 5.811 -14.355 1.881 483 HA LEU 81 HA LEU 81 2.978 -14.605 2.333 484 HB2 LEU 81 HB2 LEU 81 4.878 -15.063 0.091 485 HB3 LEU 81 HB3 LEU 81 3.389 -15.987 0.087 486 HG LEU 81 HG LEU 81 3.689 -12.977 0.035 487 HD11 LEU 81 HD11 LEU 81 3.834 -13.454 -2.157 488 HD12 LEU 81 HD12 LEU 81 3.125 -15.075 -1.964 489 HD13 LEU 81 HD13 LEU 81 2.068 -13.644 -2.040 490 HD21 LEU 81 HD21 LEU 81 1.826 -13.066 1.351 491 HD22 LEU 81 HD22 LEU 81 1.066 -13.216 -0.251 492 HD23 LEU 81 HD23 LEU 81 1.331 -14.666 0.747 493 H GLY 82 H GLY 82 5.865 -16.365 3.071 494 HA2 GLY 82 HA2 GLY 82 6.235 -18.568 3.563 495 HA3 GLY 82 HA3 GLY 82 4.937 -18.227 4.690 496 H ALA 83 H ALA 83 4.933 -18.595 1.075 497 HA ALA 83 HA ALA 83 3.190 -20.926 1.433 498 HB1 ALA 83 HB1 ALA 83 2.168 -18.501 0.785 499 HB2 ALA 83 HB2 ALA 83 2.617 -19.078 -0.838 500 HB3 ALA 83 HB3 ALA 83 1.503 -20.033 0.170 501 H GLU 84 H GLU 84 3.802 -22.654 0.201 502 HA GLU 84 HA GLU 84 5.419 -22.095 -2.133 503 HB2 GLU 84 HB2 GLU 84 6.296 -23.621 0.306 504 HB3 GLU 84 HB3 GLU 84 6.803 -24.233 -1.256 505 HG2 GLU 84 HG2 GLU 84 8.549 -22.746 -0.674 506 HG3 GLU 84 HG3 GLU 84 7.567 -21.792 -1.768 507 HE2 GLU 84 HE2 GLU 84 7.382 -20.962 2.168 508 H GLU 85 H GLU 85 2.603 -23.116 -1.292 509 HA GLU 85 HA GLU 85 2.236 -24.836 -3.369 510 HB2 GLU 85 HB2 GLU 85 2.000 -27.041 -2.348 511 HB3 GLU 85 HB3 GLU 85 3.623 -26.447 -2.057 512 HG2 GLU 85 HG2 GLU 85 1.328 -26.203 -0.055 513 HG3 GLU 85 HG3 GLU 85 2.526 -27.481 -0.021 514 HE2 GLU 85 HE2 GLU 85 4.846 -25.516 1.564 515 H CYS 86 H CYS 86 -0.031 -25.734 -3.403 516 HA CYS 86 HA CYS 86 -1.698 -24.121 -1.625 517 HB2 CYS 86 HB2 CYS 86 -2.186 -23.496 -3.836 518 HB3 CYS 86 HB3 CYS 86 -2.095 -25.140 -4.436 519 H PHE 87 H PHE 87 -1.570 -25.658 0.158 520 HA PHE 87 HA PHE 87 -1.937 -28.373 -0.058 521 HB2 PHE 87 HB2 PHE 87 -1.345 -26.707 1.928 522 HB3 PHE 87 HB3 PHE 87 -3.078 -26.589 2.158 523 HD1 PHE 87 HD1 PHE 87 -4.361 -28.508 2.969 524 HD2 PHE 87 HD2 PHE 87 -0.148 -28.728 2.511 525 HE1 PHE 87 HE1 PHE 87 -4.314 -30.579 4.387 526 HE2 PHE 87 HE2 PHE 87 -0.101 -30.798 3.929 527 HZ PHE 87 HZ PHE 87 -2.185 -31.699 4.850 528 H SER 88 H SER 88 -4.281 -25.738 -0.314 529 HA SER 88 HA SER 88 -6.552 -27.129 0.392 530 HB2 SER 88 HB2 SER 88 -6.371 -24.647 0.016 531 HB3 SER 88 HB3 SER 88 -6.277 -24.935 -1.710 532 HG SER 88 HG SER 88 -8.441 -26.284 -0.826 533 H CYS 89 H CYS 89 -4.394 -27.576 -2.258 534 HA CYS 89 HA CYS 89 -6.089 -28.284 -4.309 535 HB2 CYS 89 HB2 CYS 89 -3.259 -28.822 -3.597 536 HB3 CYS 89 HB3 CYS 89 -3.983 -29.965 -4.711 537 H ASP 90 H ASP 90 -5.408 -29.789 -1.221 538 HA ASP 90 HA ASP 90 -6.671 -32.238 -2.167 539 HB2 ASP 90 HB2 ASP 90 -4.937 -31.693 0.288 540 HB3 ASP 90 HB3 ASP 90 -5.729 -33.226 -0.019 541 HD2 ASP 90 HD2 ASP 90 -4.116 -34.474 -2.216 542 H PHE 91 H PHE 91 -7.097 -29.314 -0.426 543 HA PHE 91 HA PHE 91 -9.011 -30.447 1.448 544 HB2 PHE 91 HB2 PHE 91 -7.128 -28.502 1.696 545 HB3 PHE 91 HB3 PHE 91 -8.394 -27.494 1.023 546 HD1 PHE 91 HD1 PHE 91 -7.469 -29.614 3.890 547 HD2 PHE 91 HD2 PHE 91 -10.284 -26.845 2.333 548 HE1 PHE 91 HE1 PHE 91 -8.476 -29.353 6.174 549 HE2 PHE 91 HE2 PHE 91 -11.290 -26.584 4.618 550 HZ PHE 91 HZ PHE 91 -10.374 -27.841 6.511 551 H ASP 92 H ASP 92 -11.001 -30.858 0.576 552 HA ASP 92 HA ASP 92 -12.000 -28.878 -1.308 553 HB2 ASP 92 HB2 ASP 92 -13.772 -30.821 -1.653 554 HB3 ASP 92 HB3 ASP 92 -12.198 -30.920 -2.417 555 HD2 ASP 92 HD2 ASP 92 -10.920 -33.215 -0.249 Start of MODEL 16 1 H SER 16 H SER 16 2.220 -0.035 -0.533 2 HA SER 16 HA SER 16 1.792 1.322 -3.081 3 HB2 SER 16 HB2 SER 16 4.260 0.507 -3.506 4 HB3 SER 16 HB3 SER 16 3.979 1.964 -2.574 5 HG SER 16 HG SER 16 4.571 0.963 -0.712 6 H GLU 17 H GLU 17 1.051 -0.017 -4.695 7 HA GLU 17 HA GLU 17 1.020 -2.837 -4.108 8 HB2 GLU 17 HB2 GLU 17 -0.403 -1.049 -6.095 9 HB3 GLU 17 HB3 GLU 17 -0.380 -2.783 -6.347 10 HG2 GLU 17 HG2 GLU 17 -2.324 -2.560 -5.068 11 HG3 GLU 17 HG3 GLU 17 -1.150 -2.900 -3.813 12 HE2 GLU 17 HE2 GLU 17 -1.767 1.010 -4.274 13 H ALA 18 H ALA 18 2.985 -0.579 -5.758 14 HA ALA 18 HA ALA 18 3.682 -1.835 -8.094 15 HB1 ALA 18 HB1 ALA 18 4.650 0.264 -6.393 16 HB2 ALA 18 HB2 ALA 18 6.034 -0.747 -6.875 17 HB3 ALA 18 HB3 ALA 18 4.992 -0.013 -8.118 18 H VAL 19 H VAL 19 4.993 -2.348 -4.753 19 HA VAL 19 HA VAL 19 6.913 -4.215 -5.415 20 HB VAL 19 HB VAL 19 6.831 -3.182 -3.268 21 HG11 VAL 19 HG11 VAL 19 5.051 -3.100 -1.838 22 HG12 VAL 19 HG12 VAL 19 4.159 -3.279 -3.368 23 HG13 VAL 19 HG13 VAL 19 4.436 -4.696 -2.328 24 HG21 VAL 19 HG21 VAL 19 6.612 -5.377 -1.787 25 HG22 VAL 19 HG22 VAL 19 6.548 -6.161 -3.384 26 HG23 VAL 19 HG23 VAL 19 7.951 -5.159 -2.939 27 H TYR 20 H TYR 20 3.488 -4.790 -4.331 28 HA TYR 20 HA TYR 20 3.456 -7.507 -4.512 29 HB2 TYR 20 HB2 TYR 20 1.686 -5.248 -4.345 30 HB3 TYR 20 HB3 TYR 20 1.083 -6.184 -5.698 31 HD1 TYR 20 HD2 TYR 20 2.707 -7.574 -2.647 32 HD2 TYR 20 HD1 TYR 20 -0.954 -6.983 -4.781 33 HE1 TYR 20 HE2 TYR 20 1.509 -9.135 -1.038 34 HE2 TYR 20 HE1 TYR 20 -2.140 -8.547 -3.164 35 HH TYR 20 HH TYR 20 -1.133 -9.278 -0.301 36 H ILE 21 H ILE 21 3.324 -5.100 -7.160 37 HA ILE 21 HA ILE 21 2.579 -7.017 -9.127 38 HB ILE 21 HB ILE 21 2.820 -4.212 -8.908 39 HG12 ILE 21 HG12 ILE 21 0.887 -5.306 -9.810 40 HG13 ILE 21 HG13 ILE 21 1.561 -4.264 -11.048 41 HG21 ILE 21 HG21 ILE 21 3.943 -3.627 -11.012 42 HG22 ILE 21 HG22 ILE 21 5.063 -4.363 -9.841 43 HG23 ILE 21 HG23 ILE 21 4.450 -5.322 -11.209 44 HD11 ILE 21 HD11 ILE 21 1.222 -6.213 -12.281 45 HD12 ILE 21 HD12 ILE 21 2.899 -6.470 -11.742 46 HD13 ILE 21 HD13 ILE 21 1.558 -7.274 -10.892 47 H ALA 22 H ALA 22 5.619 -5.777 -7.736 48 HA ALA 22 HA ALA 22 7.301 -6.789 -9.759 49 HB1 ALA 22 HB1 ALA 22 8.185 -6.506 -6.899 50 HB2 ALA 22 HB2 ALA 22 9.013 -6.022 -8.398 51 HB3 ALA 22 HB3 ALA 22 7.654 -5.053 -7.779 52 H ILE 23 H ILE 23 5.759 -8.161 -6.849 53 HA ILE 23 HA ILE 23 7.289 -10.616 -7.191 54 HB ILE 23 HB ILE 23 7.274 -10.259 -4.976 55 HG12 ILE 23 HG12 ILE 23 5.749 -12.307 -5.637 56 HG13 ILE 23 HG13 ILE 23 5.970 -11.835 -3.964 57 HG21 ILE 23 HG21 ILE 23 5.307 -9.154 -3.767 58 HG22 ILE 23 HG22 ILE 23 6.285 -8.138 -4.852 59 HG23 ILE 23 HG23 ILE 23 4.699 -8.743 -5.388 60 HD11 ILE 23 HD11 ILE 23 3.637 -10.994 -5.745 61 HD12 ILE 23 HD12 ILE 23 3.577 -12.215 -4.452 62 HD13 ILE 23 HD13 ILE 23 3.862 -10.505 -4.049 63 H GLU 24 H GLU 24 4.235 -9.129 -7.998 64 HA GLU 24 HA GLU 24 3.091 -11.746 -8.509 65 HB2 GLU 24 HB2 GLU 24 1.805 -9.929 -7.240 66 HB3 GLU 24 HB3 GLU 24 1.723 -9.035 -8.744 67 HG2 GLU 24 HG2 GLU 24 0.823 -11.416 -9.666 68 HG3 GLU 24 HG3 GLU 24 0.363 -11.611 -7.986 69 HE2 GLU 24 HE2 GLU 24 -0.253 -8.603 -7.756 70 H ALA 25 H ALA 25 5.176 -9.778 -10.044 71 HA ALA 25 HA ALA 25 3.857 -9.506 -12.578 72 HB1 ALA 25 HB1 ALA 25 5.388 -7.810 -12.293 73 HB2 ALA 25 HB2 ALA 25 6.509 -8.830 -11.360 74 HB3 ALA 25 HB3 ALA 25 6.428 -8.986 -13.131 75 H GLY 26 H GLY 26 4.843 -12.169 -10.910 76 HA2 GLY 26 HA2 GLY 26 4.615 -14.221 -12.263 77 HA3 GLY 26 HA3 GLY 26 5.800 -13.534 -13.357 78 H THR 27 H THR 27 6.564 -12.507 -10.209 79 HA THR 27 HA THR 27 8.930 -14.018 -10.119 80 HB THR 27 HB THR 27 7.418 -12.385 -8.012 81 HG1 THR 27 HG1 THR 27 8.599 -11.803 -10.343 82 HG21 THR 27 HG21 THR 27 9.711 -14.039 -7.656 83 HG22 THR 27 HG22 THR 27 10.341 -12.388 -7.866 84 HG23 THR 27 HG23 THR 27 9.163 -12.734 -6.577 85 H LEU 28 H LEU 28 5.751 -14.418 -8.469 86 HA LEU 28 HA LEU 28 6.690 -17.101 -7.724 87 HB2 LEU 28 HB2 LEU 28 4.580 -15.827 -6.092 88 HB3 LEU 28 HB3 LEU 28 5.862 -16.928 -5.630 89 HG LEU 28 HG LEU 28 6.403 -14.038 -6.332 90 HD11 LEU 28 HD11 LEU 28 4.901 -13.788 -4.558 91 HD12 LEU 28 HD12 LEU 28 5.515 -15.225 -3.707 92 HD13 LEU 28 HD13 LEU 28 6.502 -13.746 -3.783 93 HD21 LEU 28 HD21 LEU 28 8.534 -14.394 -5.701 94 HD22 LEU 28 HD22 LEU 28 8.078 -15.501 -4.384 95 HD23 LEU 28 HD23 LEU 28 8.148 -16.094 -6.061 96 H ALA 29 H ALA 29 4.601 -18.530 -7.207 97 HA ALA 29 HA ALA 29 2.549 -17.903 -9.202 98 HB1 ALA 29 HB1 ALA 29 4.007 -19.398 -10.369 99 HB2 ALA 29 HB2 ALA 29 4.189 -20.446 -8.942 100 HB3 ALA 29 HB3 ALA 29 2.635 -20.383 -9.807 101 H GLU 30 H GLU 30 0.457 -18.668 -8.666 102 HA GLU 30 HA GLU 30 0.252 -20.164 -6.205 103 HB2 GLU 30 HB2 GLU 30 -1.616 -18.489 -5.491 104 HB3 GLU 30 HB3 GLU 30 0.056 -18.038 -5.219 105 HG2 GLU 30 HG2 GLU 30 0.030 -16.390 -6.847 106 HG3 GLU 30 HG3 GLU 30 -1.062 -17.279 -7.890 107 HE2 GLU 30 HE2 GLU 30 -2.578 -14.366 -6.049 108 H CYS 31 H CYS 31 -1.540 -21.553 -6.175 109 HA CYS 31 HA CYS 31 -2.692 -22.204 -8.590 110 HB2 CYS 31 HB2 CYS 31 -2.647 -23.282 -6.025 111 HB3 CYS 31 HB3 CYS 31 -4.345 -22.932 -6.282 112 H GLU 32 H GLU 32 -4.130 -21.013 -9.792 113 HA GLU 32 HA GLU 32 -5.562 -18.905 -8.523 114 HB2 GLU 32 HB2 GLU 32 -6.284 -18.323 -10.788 115 HB3 GLU 32 HB3 GLU 32 -4.565 -18.664 -10.792 116 HG2 GLU 32 HG2 GLU 32 -6.427 -20.967 -11.338 117 HG3 GLU 32 HG3 GLU 32 -6.257 -19.759 -12.595 118 HE2 GLU 32 HE2 GLU 32 -4.602 -21.549 -13.879 119 H VAL 33 H VAL 33 -6.056 -22.110 -8.371 120 HA VAL 33 HA VAL 33 -8.952 -21.919 -8.810 121 HB VAL 33 HB VAL 33 -8.597 -23.776 -9.965 122 HG11 VAL 33 HG11 VAL 33 -6.260 -23.361 -10.285 123 HG12 VAL 33 HG12 VAL 33 -5.872 -23.925 -8.642 124 HG13 VAL 33 HG13 VAL 33 -6.443 -25.082 -9.868 125 HG21 VAL 33 HG21 VAL 33 -8.088 -25.885 -8.521 126 HG22 VAL 33 HG22 VAL 33 -8.187 -24.758 -7.146 127 HG23 VAL 33 HG23 VAL 33 -9.586 -24.969 -8.227 128 H HIS 34 H HIS 34 -6.524 -21.724 -6.449 129 HA HIS 34 HA HIS 34 -8.503 -22.395 -4.406 130 HB2 HIS 34 HB2 HIS 34 -5.625 -22.946 -3.837 131 HB3 HIS 34 HB3 HIS 34 -7.064 -23.689 -3.168 132 HD1 HIS 34 HD1 HIS 34 -5.974 -23.455 -6.841 133 HD2 HIS 34 HD2 HIS 34 -6.828 -26.314 -3.893 134 HE1 HIS 34 HE1 HIS 34 -5.835 -25.729 -7.989 135 H GLU 35 H GLU 35 -9.047 -20.425 -3.592 136 HA GLU 35 HA GLU 35 -7.226 -18.280 -3.676 137 HB2 GLU 35 HB2 GLU 35 -9.791 -18.176 -3.766 138 HB3 GLU 35 HB3 GLU 35 -9.786 -18.449 -2.035 139 HG2 GLU 35 HG2 GLU 35 -9.899 -16.032 -2.502 140 HG3 GLU 35 HG3 GLU 35 -8.389 -16.415 -1.698 141 HE2 GLU 35 HE2 GLU 35 -8.314 -16.157 -5.655 142 H GLY 36 H GLY 36 -5.600 -17.815 -2.261 143 HA2 GLY 36 HA2 GLY 36 -4.951 -17.375 -0.008 144 HA3 GLY 36 HA3 GLY 36 -5.894 -18.753 0.523 145 H THR 37 H THR 37 -4.703 -19.970 -2.254 146 HA THR 37 HA THR 37 -2.401 -21.139 -0.878 147 HB THR 37 HB THR 37 -4.532 -22.233 -2.295 148 HG1 THR 37 HG1 THR 37 -3.337 -23.953 -1.549 149 HG21 THR 37 HG21 THR 37 -2.074 -22.627 -4.038 150 HG22 THR 37 HG22 THR 37 -3.770 -23.025 -4.401 151 HG23 THR 37 HG23 THR 37 -3.230 -21.329 -4.420 152 H TYR 38 H TYR 38 -0.324 -20.806 -1.447 153 HA TYR 38 HA TYR 38 0.196 -19.596 -4.047 154 HB2 TYR 38 HB2 TYR 38 0.669 -18.502 -1.234 155 HB3 TYR 38 HB3 TYR 38 1.829 -18.096 -2.482 156 HD1 TYR 38 HD1 TYR 38 -1.753 -17.813 -1.527 157 HD2 TYR 38 HD2 TYR 38 1.363 -16.412 -4.103 158 HE1 TYR 38 HE1 TYR 38 -3.241 -15.901 -2.299 159 HE2 TYR 38 HE2 TYR 38 -0.135 -14.505 -4.866 160 HH TYR 38 HH TYR 38 -2.817 -13.558 -3.236 161 H PHE 39 H PHE 39 2.679 -19.437 -4.391 162 HA PHE 39 HA PHE 39 4.380 -20.985 -2.799 163 HB2 PHE 39 HB2 PHE 39 4.501 -23.007 -4.175 164 HB3 PHE 39 HB3 PHE 39 2.799 -22.745 -3.849 165 HD1 PHE 39 HD2 PHE 39 1.316 -21.880 -5.624 166 HD2 PHE 39 HD1 PHE 39 5.380 -22.820 -6.401 167 HE1 PHE 39 HE2 PHE 39 0.841 -21.895 -8.089 168 HE2 PHE 39 HE1 PHE 39 4.906 -22.835 -8.865 169 HZ PHE 39 HZ PHE 39 2.642 -22.372 -9.680 170 H SER 40 H SER 40 6.235 -19.862 -3.141 171 HA SER 40 HA SER 40 6.618 -18.699 -5.752 172 HB2 SER 40 HB2 SER 40 8.253 -18.384 -3.195 173 HB3 SER 40 HB3 SER 40 8.465 -17.446 -4.659 174 HG SER 40 HG SER 40 6.693 -17.053 -2.606 175 H ASP 41 H ASP 41 8.605 -19.030 -6.990 176 HA ASP 41 HA ASP 41 9.346 -21.508 -7.435 177 HB2 ASP 41 HB2 ASP 41 10.292 -18.980 -8.160 178 HB3 ASP 41 HB3 ASP 41 11.709 -19.716 -7.436 179 HD2 ASP 41 HD2 ASP 41 10.427 -22.010 -10.412 180 H SER 42 H SER 42 9.698 -22.940 -5.666 181 HA SER 42 HA SER 42 11.246 -22.166 -3.452 182 HB2 SER 42 HB2 SER 42 9.486 -23.844 -3.226 183 HB3 SER 42 HB3 SER 42 10.250 -24.881 -4.415 184 HG SER 42 HG SER 42 11.042 -24.328 -1.717 185 H GLY 43 H GLY 43 13.417 -22.691 -2.916 186 HA2 GLY 43 HA2 GLY 43 15.367 -24.027 -3.317 187 HA3 GLY 43 HA3 GLY 43 14.970 -24.059 -5.024 188 H ASP 44 H ASP 44 14.111 -21.142 -4.997 189 HA ASP 44 HA ASP 44 16.626 -19.858 -4.401 190 HB2 ASP 44 HB2 ASP 44 16.211 -20.741 -6.955 191 HB3 ASP 44 HB3 ASP 44 15.404 -19.189 -7.059 192 HD2 ASP 44 HD2 ASP 44 18.546 -17.515 -6.409 193 H ILE 45 H ILE 45 15.220 -18.833 -2.736 194 HA ILE 45 HA ILE 45 12.873 -17.438 -3.545 195 HB ILE 45 HB ILE 45 14.406 -17.893 -1.050 196 HG12 ILE 45 HG12 ILE 45 12.264 -19.089 -2.075 197 HG13 ILE 45 HG13 ILE 45 12.505 -18.919 -0.347 198 HG21 ILE 45 HG21 ILE 45 12.949 -15.368 -1.635 199 HG22 ILE 45 HG22 ILE 45 12.645 -16.138 -0.059 200 HG23 ILE 45 HG23 ILE 45 14.303 -15.690 -0.526 201 HD11 ILE 45 HD11 ILE 45 11.153 -16.621 -1.710 202 HD12 ILE 45 HD12 ILE 45 10.227 -18.137 -1.598 203 HD13 ILE 45 HD13 ILE 45 10.829 -17.350 -0.119 204 H SER 46 H SER 46 16.335 -16.703 -3.202 205 HA SER 46 HA SER 46 16.009 -13.924 -3.196 206 HB2 SER 46 HB2 SER 46 18.357 -15.722 -3.924 207 HB3 SER 46 HB3 SER 46 18.480 -13.975 -3.899 208 HG SER 46 HG SER 46 17.625 -14.161 -1.604 209 H GLU 47 H GLU 47 16.048 -16.426 -5.699 210 HA GLU 47 HA GLU 47 16.784 -14.885 -7.857 211 HB2 GLU 47 HB2 GLU 47 16.677 -17.274 -8.086 212 HB3 GLU 47 HB3 GLU 47 14.997 -17.329 -7.589 213 HG2 GLU 47 HG2 GLU 47 14.206 -16.537 -9.653 214 HG3 GLU 47 HG3 GLU 47 15.690 -15.679 -10.018 215 HE2 GLU 47 HE2 GLU 47 15.698 -17.889 -12.307 216 H ALA 48 H ALA 48 13.708 -15.151 -6.084 217 HA ALA 48 HA ALA 48 12.040 -14.021 -8.018 218 HB1 ALA 48 HB1 ALA 48 10.861 -13.305 -5.693 219 HB2 ALA 48 HB2 ALA 48 10.824 -14.969 -6.323 220 HB3 ALA 48 HB3 ALA 48 12.009 -14.517 -5.074 221 H GLU 49 H GLU 49 14.030 -12.570 -5.369 222 HA GLU 49 HA GLU 49 13.145 -9.976 -5.813 223 HB2 GLU 49 HB2 GLU 49 14.544 -9.464 -4.084 224 HB3 GLU 49 HB3 GLU 49 14.694 -11.203 -3.925 225 HG2 GLU 49 HG2 GLU 49 16.686 -11.124 -5.495 226 HG3 GLU 49 HG3 GLU 49 16.566 -9.376 -5.503 227 HE2 GLU 49 HE2 GLU 49 17.331 -11.592 -2.348 228 H GLU 50 H GLU 50 15.868 -11.899 -7.173 229 HA GLU 50 HA GLU 50 17.144 -9.822 -8.452 230 HB2 GLU 50 HB2 GLU 50 17.801 -12.348 -8.100 231 HB3 GLU 50 HB3 GLU 50 16.997 -12.607 -9.636 232 HG2 GLU 50 HG2 GLU 50 19.182 -12.183 -10.355 233 HG3 GLU 50 HG3 GLU 50 18.486 -10.579 -10.467 234 HE2 GLU 50 HE2 GLU 50 19.957 -9.228 -7.831 235 H LEU 51 H LEU 51 14.792 -12.231 -9.845 236 HA LEU 51 HA LEU 51 14.582 -10.922 -12.306 237 HB2 LEU 51 HB2 LEU 51 12.514 -12.310 -12.537 238 HB3 LEU 51 HB3 LEU 51 13.997 -13.183 -12.204 239 HG LEU 51 HG LEU 51 12.930 -12.743 -9.672 240 HD11 LEU 51 HD11 LEU 51 10.639 -13.761 -11.335 241 HD12 LEU 51 HD12 LEU 51 10.647 -13.170 -9.656 242 HD13 LEU 51 HD13 LEU 51 10.833 -12.023 -11.005 243 HD21 LEU 51 HD21 LEU 51 12.905 -15.041 -9.510 244 HD22 LEU 51 HD22 LEU 51 12.322 -15.265 -11.177 245 HD23 LEU 51 HD23 LEU 51 14.013 -14.795 -10.882 246 H ALA 52 H ALA 52 13.175 -10.310 -9.136 247 HA ALA 52 HA ALA 52 10.945 -8.830 -10.034 248 HB1 ALA 52 HB1 ALA 52 11.036 -7.965 -7.640 249 HB2 ALA 52 HB2 ALA 52 10.958 -9.735 -7.813 250 HB3 ALA 52 HB3 ALA 52 12.506 -8.946 -7.429 251 H ARG 53 H ARG 53 14.297 -7.939 -8.985 252 HA ARG 53 HA ARG 53 13.900 -5.217 -9.262 253 HB2 ARG 53 HB2 ARG 53 15.855 -5.643 -8.085 254 HB3 ARG 53 HB3 ARG 53 16.235 -7.074 -9.023 255 HG2 ARG 53 HG2 ARG 53 16.370 -4.422 -10.444 256 HG3 ARG 53 HG3 ARG 53 17.628 -4.768 -9.274 257 HD2 ARG 53 HD2 ARG 53 18.477 -6.582 -10.503 258 HD3 ARG 53 HD3 ARG 53 16.939 -6.927 -11.268 259 HE ARG 53 HE ARG 53 17.842 -4.327 -12.100 260 HH11 ARG 53 HH22 ARG 53 18.560 -7.742 -12.555 261 HH12 ARG 53 HH21 ARG 53 19.233 -7.521 -14.136 262 HH21 ARG 53 HH12 ARG 53 18.730 -4.035 -14.185 263 HH22 ARG 53 HH11 ARG 53 19.330 -5.398 -15.069 264 H GLU 54 H GLU 54 14.790 -7.804 -11.563 265 HA GLU 54 HA GLU 54 15.675 -6.077 -13.585 266 HB2 GLU 54 HB2 GLU 54 16.047 -8.647 -13.264 267 HB3 GLU 54 HB3 GLU 54 14.500 -8.834 -14.066 268 HG2 GLU 54 HG2 GLU 54 15.291 -7.985 -16.109 269 HG3 GLU 54 HG3 GLU 54 16.548 -7.028 -15.352 270 HE2 GLU 54 HE2 GLU 54 16.597 -10.879 -16.049 271 H LYS 55 H LYS 55 12.559 -7.880 -13.069 272 HA LYS 55 HA LYS 55 11.255 -6.914 -15.305 273 HB2 LYS 55 HB2 LYS 55 10.312 -7.933 -12.627 274 HB3 LYS 55 HB3 LYS 55 9.172 -7.387 -13.840 275 HG2 LYS 55 HG2 LYS 55 11.349 -9.381 -14.561 276 HG3 LYS 55 HG3 LYS 55 9.865 -9.922 -13.801 277 HD2 LYS 55 HD2 LYS 55 8.512 -9.187 -15.629 278 HD3 LYS 55 HD3 LYS 55 9.765 -8.135 -16.255 279 HE2 LYS 55 HE2 LYS 55 11.170 -10.213 -16.729 280 HE3 LYS 55 HE3 LYS 55 9.792 -11.190 -16.264 281 HZ1 LYS 55 HZ1 LYS 55 9.715 -9.162 -18.389 282 HZ2 LYS 55 HZ2 LYS 55 9.931 -10.760 -18.649 283 HZ3 LYS 55 HZ3 LYS 55 8.529 -10.219 -18.011 284 H PHE 56 H PHE 56 11.293 -5.610 -11.918 285 HA PHE 56 HA PHE 56 9.696 -3.393 -12.534 286 HB2 PHE 56 HB2 PHE 56 10.654 -4.608 -10.291 287 HB3 PHE 56 HB3 PHE 56 11.899 -3.382 -10.434 288 HD1 PHE 56 HD1 PHE 56 10.592 -0.975 -11.181 289 HD2 PHE 56 HD2 PHE 56 9.149 -4.056 -8.645 290 HE1 PHE 56 HE1 PHE 56 9.097 0.677 -10.024 291 HE2 PHE 56 HE2 PHE 56 7.655 -2.404 -7.488 292 HZ PHE 56 HZ PHE 56 7.647 -0.057 -8.191 293 H GLU 57 H GLU 57 13.236 -3.983 -12.647 294 HA GLU 57 HA GLU 57 14.054 -1.376 -12.827 295 HB2 GLU 57 HB2 GLU 57 15.769 -2.950 -12.536 296 HB3 GLU 57 HB3 GLU 57 15.158 -4.013 -13.788 297 HG2 GLU 57 HG2 GLU 57 17.236 -2.832 -14.506 298 HG3 GLU 57 HG3 GLU 57 15.878 -2.453 -15.547 299 HE2 GLU 57 HE2 GLU 57 16.478 0.890 -14.996 300 H LYS 58 H LYS 58 12.801 -3.614 -15.347 301 HA LYS 58 HA LYS 58 13.206 -1.591 -17.385 302 HB2 LYS 58 HB2 LYS 58 13.602 -4.157 -17.604 303 HB3 LYS 58 HB3 LYS 58 11.863 -4.257 -17.793 304 HG2 LYS 58 HG2 LYS 58 12.582 -4.007 -20.020 305 HG3 LYS 58 HG3 LYS 58 12.158 -2.362 -19.588 306 HD2 LYS 58 HD2 LYS 58 14.570 -1.918 -19.008 307 HD3 LYS 58 HD3 LYS 58 14.974 -3.547 -19.511 308 HE2 LYS 58 HE2 LYS 58 13.556 -1.608 -21.384 309 HE3 LYS 58 HE3 LYS 58 15.302 -1.641 -21.250 310 HZ1 LYS 58 HZ1 LYS 58 13.585 -3.899 -22.014 311 HZ2 LYS 58 HZ2 LYS 58 14.603 -3.076 -22.990 312 HZ3 LYS 58 HZ3 LYS 58 15.199 -4.010 -21.791 313 H GLY 59 H GLY 59 11.278 -1.431 -14.948 314 HA2 GLY 59 HA2 GLY 59 8.750 -1.141 -16.435 315 HA3 GLY 59 HA3 GLY 59 8.925 -1.302 -14.699 316 H GLU 60 H GLU 60 8.686 0.550 -13.530 317 HA GLU 60 HA GLU 60 9.461 3.018 -14.876 318 HB2 GLU 60 HB2 GLU 60 7.006 2.861 -14.800 319 HB3 GLU 60 HB3 GLU 60 7.045 2.544 -13.078 320 HG2 GLU 60 HG2 GLU 60 8.051 4.782 -12.665 321 HG3 GLU 60 HG3 GLU 60 8.087 5.100 -14.388 322 HE2 GLU 60 HE2 GLU 60 5.042 3.676 -14.150 323 H VAL 61 H VAL 61 11.484 3.241 -13.869 324 HA VAL 61 HA VAL 61 11.337 3.899 -11.044 325 HB VAL 61 HB VAL 61 13.622 2.529 -10.965 326 HG11 VAL 61 HG11 VAL 61 11.271 2.347 -9.708 327 HG12 VAL 61 HG12 VAL 61 11.183 0.835 -10.644 328 HG13 VAL 61 HG13 VAL 61 12.543 1.114 -9.529 329 HG21 VAL 61 HG21 VAL 61 13.560 1.702 -13.236 330 HG22 VAL 61 HG22 VAL 61 13.311 0.339 -12.120 331 HG23 VAL 61 HG23 VAL 61 11.927 1.037 -12.994 332 H SER 62 H SER 62 11.714 6.071 -11.525 333 HA SER 62 HA SER 62 13.893 6.689 -13.282 334 HB2 SER 62 HB2 SER 62 11.578 7.937 -12.983 335 HB3 SER 62 HB3 SER 62 12.377 8.730 -11.640 336 HG SER 62 HG SER 62 13.335 10.011 -13.049 337 H ASN 63 H ASN 63 14.048 5.392 -10.406 338 HA ASN 63 HA ASN 63 15.989 7.324 -9.400 339 HB2 ASN 63 HB2 ASN 63 15.480 5.885 -7.169 340 HB3 ASN 63 HB3 ASN 63 14.498 7.269 -7.606 341 HD21 ASN 63 HD21 ASN 63 12.621 6.610 -6.720 342 HD22 ASN 63 HD22 ASN 63 11.687 5.254 -7.258 343 H PHE 64 H PHE 64 15.001 3.865 -9.791 344 HA PHE 64 HA PHE 64 16.158 1.965 -9.582 345 HB2 PHE 64 HB2 PHE 64 18.172 2.038 -11.198 346 HB3 PHE 64 HB3 PHE 64 16.679 2.654 -11.877 347 HD1 PHE 64 HD2 PHE 64 16.378 5.064 -12.238 348 HD2 PHE 64 HD1 PHE 64 20.038 3.505 -10.762 349 HE1 PHE 64 HE2 PHE 64 17.524 7.226 -12.796 350 HE2 PHE 64 HE1 PHE 64 21.184 5.667 -11.320 351 HZ PHE 64 HZ PHE 64 19.913 7.502 -12.331 352 H ASP 65 H ASP 65 16.732 3.924 -7.394 353 HA ASP 65 HA ASP 65 19.495 3.167 -6.871 354 HB2 ASP 65 HB2 ASP 65 19.377 5.525 -6.716 355 HB3 ASP 65 HB3 ASP 65 17.765 5.499 -6.028 356 HD2 ASP 65 HD2 ASP 65 21.173 4.782 -4.528 357 H ASP 66 H ASP 66 16.098 3.001 -5.890 358 HA ASP 66 HA ASP 66 16.773 1.955 -3.298 359 HB2 ASP 66 HB2 ASP 66 14.668 3.448 -4.173 360 HB3 ASP 66 HB3 ASP 66 13.970 1.854 -4.377 361 HD2 ASP 66 HD2 ASP 66 15.963 3.322 -2.077 362 H VAL 67 H VAL 67 17.462 0.576 -5.948 363 HA VAL 67 HA VAL 67 15.738 -1.499 -6.523 364 HB VAL 67 HB VAL 67 17.597 -0.858 -7.922 365 HG11 VAL 67 HG11 VAL 67 19.566 -2.142 -6.039 366 HG12 VAL 67 HG12 VAL 67 19.851 -0.985 -7.361 367 HG13 VAL 67 HG13 VAL 67 19.111 -0.433 -5.839 368 HG21 VAL 67 HG21 VAL 67 17.615 -3.697 -6.887 369 HG22 VAL 67 HG22 VAL 67 16.886 -3.053 -8.378 370 HG23 VAL 67 HG23 VAL 67 18.656 -3.184 -8.237 371 H GLU 68 H GLU 68 18.609 -1.501 -4.290 372 HA GLU 68 HA GLU 68 18.374 -4.044 -3.412 373 HB2 GLU 68 HB2 GLU 68 19.361 -1.493 -2.137 374 HB3 GLU 68 HB3 GLU 68 19.289 -2.945 -1.159 375 HG2 GLU 68 HG2 GLU 68 21.431 -3.174 -2.039 376 HG3 GLU 68 HG3 GLU 68 20.521 -4.056 -3.250 377 HE2 GLU 68 HE2 GLU 68 21.035 -0.274 -4.350 378 H GLU 69 H GLU 69 16.593 -1.119 -2.284 379 HA GLU 69 HA GLU 69 15.328 -2.460 -0.171 380 HB2 GLU 69 HB2 GLU 69 15.480 -0.081 -0.032 381 HB3 GLU 69 HB3 GLU 69 14.811 0.148 -1.635 382 HG2 GLU 69 HG2 GLU 69 12.600 -0.415 -0.932 383 HG3 GLU 69 HG3 GLU 69 13.164 -1.213 0.523 384 HE2 GLU 69 HE2 GLU 69 11.502 1.133 -0.193 385 H LEU 70 H LEU 70 14.619 -1.985 -3.635 386 HA LEU 70 HA LEU 70 11.914 -2.754 -3.511 387 HB2 LEU 70 HB2 LEU 70 13.430 -1.582 -5.354 388 HB3 LEU 70 HB3 LEU 70 13.567 -3.226 -5.945 389 HG LEU 70 HG LEU 70 11.307 -1.355 -6.059 390 HD11 LEU 70 HD11 LEU 70 11.434 -1.958 -8.188 391 HD12 LEU 70 HD12 LEU 70 12.751 -3.082 -7.774 392 HD13 LEU 70 HD13 LEU 70 11.062 -3.646 -7.765 393 HD21 LEU 70 HD21 LEU 70 9.660 -3.351 -6.052 394 HD22 LEU 70 HD22 LEU 70 10.891 -4.160 -5.054 395 HD23 LEU 70 HD23 LEU 70 10.157 -2.636 -4.499 396 H VAL 71 H VAL 71 14.934 -4.573 -4.387 397 HA VAL 71 HA VAL 71 13.724 -7.014 -4.806 398 HB VAL 71 HB VAL 71 15.979 -7.932 -4.266 399 HG11 VAL 71 HG11 VAL 71 15.942 -5.492 -6.075 400 HG12 VAL 71 HG12 VAL 71 17.127 -6.819 -6.131 401 HG13 VAL 71 HG13 VAL 71 15.419 -7.134 -6.520 402 HG21 VAL 71 HG21 VAL 71 16.562 -6.340 -2.467 403 HG22 VAL 71 HG22 VAL 71 17.810 -6.411 -3.734 404 HG23 VAL 71 HG23 VAL 71 16.680 -5.037 -3.673 405 H LYS 72 H LYS 72 14.954 -5.515 -1.757 406 HA LYS 72 HA LYS 72 14.480 -7.731 -0.134 407 HB2 LYS 72 HB2 LYS 72 15.917 -5.912 0.554 408 HB3 LYS 72 HB3 LYS 72 14.593 -4.767 0.487 409 HG2 LYS 72 HG2 LYS 72 13.443 -6.495 2.186 410 HG3 LYS 72 HG3 LYS 72 15.103 -6.963 2.497 411 HD2 LYS 72 HD2 LYS 72 15.673 -4.564 2.984 412 HD3 LYS 72 HD3 LYS 72 14.000 -4.120 2.710 413 HE2 LYS 72 HE2 LYS 72 15.207 -5.660 5.003 414 HE3 LYS 72 HE3 LYS 72 14.013 -4.378 5.039 415 HZ1 LYS 72 HZ1 LYS 72 12.914 -6.375 5.503 416 HZ2 LYS 72 HZ2 LYS 72 12.478 -5.995 3.975 417 HZ3 LYS 72 HZ3 LYS 72 13.585 -7.167 4.242 418 H LYS 73 H LYS 73 12.366 -5.085 -1.302 419 HA LYS 73 HA LYS 73 10.226 -5.655 0.428 420 HB2 LYS 73 HB2 LYS 73 10.821 -3.623 -1.229 421 HB3 LYS 73 HB3 LYS 73 9.712 -4.494 -2.268 422 HG2 LYS 73 HG2 LYS 73 7.889 -4.184 -0.835 423 HG3 LYS 73 HG3 LYS 73 8.889 -4.101 0.602 424 HD2 LYS 73 HD2 LYS 73 9.331 -1.915 -1.391 425 HD3 LYS 73 HD3 LYS 73 7.763 -1.909 -0.608 426 HE2 LYS 73 HE2 LYS 73 9.517 -0.559 0.619 427 HE3 LYS 73 HE3 LYS 73 8.768 -1.799 1.604 428 HZ1 LYS 73 HZ1 LYS 73 10.669 -3.229 1.034 429 HZ2 LYS 73 HZ2 LYS 73 11.381 -1.969 0.277 430 HZ3 LYS 73 HZ3 LYS 73 11.097 -1.902 1.884 431 H VAL 74 H VAL 74 11.342 -7.012 -2.673 432 HA VAL 74 HA VAL 74 8.926 -8.426 -3.175 433 HB VAL 74 HB VAL 74 11.732 -8.827 -4.233 434 HG11 VAL 74 HG11 VAL 74 9.227 -9.567 -5.721 435 HG12 VAL 74 HG12 VAL 74 10.880 -10.210 -5.881 436 HG13 VAL 74 HG13 VAL 74 9.877 -10.671 -4.484 437 HG21 VAL 74 HG21 VAL 74 9.601 -7.439 -5.804 438 HG22 VAL 74 HG22 VAL 74 10.395 -6.534 -4.494 439 HG23 VAL 74 HG23 VAL 74 11.367 -7.216 -5.820 440 H VAL 75 H VAL 75 12.092 -9.164 -1.617 441 HA VAL 75 HA VAL 75 11.534 -11.902 -1.248 442 HB VAL 75 HB VAL 75 13.583 -9.948 -0.557 443 HG11 VAL 75 HG11 VAL 75 13.009 -12.183 1.417 444 HG12 VAL 75 HG12 VAL 75 14.508 -11.225 1.364 445 HG13 VAL 75 HG13 VAL 75 12.959 -10.433 1.739 446 HG21 VAL 75 HG21 VAL 75 14.271 -12.809 -0.596 447 HG22 VAL 75 HG22 VAL 75 13.392 -12.255 -2.041 448 HG23 VAL 75 HG23 VAL 75 14.911 -11.459 -1.564 449 H ALA 76 H ALA 76 10.795 -8.918 0.566 450 HA ALA 76 HA ALA 76 10.051 -10.223 2.957 451 HB1 ALA 76 HB1 ALA 76 9.609 -8.094 3.691 452 HB2 ALA 76 HB2 ALA 76 10.584 -7.673 2.262 453 HB3 ALA 76 HB3 ALA 76 8.807 -7.620 2.174 454 H VAL 77 H VAL 77 8.307 -9.200 -0.027 455 HA VAL 77 HA VAL 77 5.751 -9.872 0.965 456 HB VAL 77 HB VAL 77 6.759 -9.656 -1.878 457 HG11 VAL 77 HG11 VAL 77 4.241 -8.852 -2.086 458 HG12 VAL 77 HG12 VAL 77 4.672 -10.578 -2.162 459 HG13 VAL 77 HG13 VAL 77 4.036 -9.885 -0.651 460 HG21 VAL 77 HG21 VAL 77 6.807 -7.676 0.054 461 HG22 VAL 77 HG22 VAL 77 6.784 -7.419 -1.707 462 HG23 VAL 77 HG23 VAL 77 5.263 -7.385 -0.784 463 H CYS 78 H CYS 78 8.166 -11.592 -1.118 464 HA CYS 78 HA CYS 78 6.678 -13.825 -1.644 465 HB2 CYS 78 HB2 CYS 78 8.626 -14.784 -2.412 466 HB3 CYS 78 HB3 CYS 78 9.068 -13.088 -2.437 467 HG CYS 78 HG CYS 78 11.129 -14.277 -1.528 468 H GLU 79 H GLU 79 8.662 -12.931 1.233 469 HA GLU 79 HA GLU 79 8.275 -15.444 2.470 470 HB2 GLU 79 HB2 GLU 79 10.002 -14.666 3.692 471 HB3 GLU 79 HB3 GLU 79 9.870 -13.111 2.895 472 HG2 GLU 79 HG2 GLU 79 8.119 -12.420 4.558 473 HG3 GLU 79 HG3 GLU 79 8.285 -13.968 5.363 474 HE2 GLU 79 HE2 GLU 79 8.815 -12.595 7.062 475 H GLU 80 H GLU 80 6.651 -12.260 2.500 476 HA GLU 80 HA GLU 80 5.129 -12.715 4.784 477 HB2 GLU 80 HB2 GLU 80 5.363 -10.468 3.959 478 HB3 GLU 80 HB3 GLU 80 4.767 -10.904 2.369 479 HG2 GLU 80 HG2 GLU 80 2.519 -11.155 3.142 480 HG3 GLU 80 HG3 GLU 80 3.011 -11.277 4.819 481 HE2 GLU 80 HE2 GLU 80 2.592 -7.691 3.114 482 H LEU 81 H LEU 81 4.966 -14.005 1.549 483 HA LEU 81 HA LEU 81 2.155 -14.636 1.725 484 HB2 LEU 81 HB2 LEU 81 4.293 -14.752 -0.310 485 HB3 LEU 81 HB3 LEU 81 3.088 -16.021 -0.411 486 HG LEU 81 HG LEU 81 2.882 -13.595 -1.606 487 HD11 LEU 81 HD11 LEU 81 0.315 -14.827 -0.723 488 HD12 LEU 81 HD12 LEU 81 0.859 -14.331 -2.344 489 HD13 LEU 81 HD13 LEU 81 1.462 -15.845 -1.627 490 HD21 LEU 81 HD21 LEU 81 1.714 -12.019 -0.455 491 HD22 LEU 81 HD22 LEU 81 0.902 -13.212 0.588 492 HD23 LEU 81 HD23 LEU 81 2.593 -12.756 0.906 493 H GLY 82 H GLY 82 5.200 -15.950 2.752 494 HA2 GLY 82 HA2 GLY 82 5.825 -18.074 3.337 495 HA3 GLY 82 HA3 GLY 82 4.427 -17.873 4.373 496 H ALA 83 H ALA 83 4.950 -18.533 0.827 497 HA ALA 83 HA ALA 83 3.434 -21.001 1.158 498 HB1 ALA 83 HB1 ALA 83 2.073 -18.814 0.386 499 HB2 ALA 83 HB2 ALA 83 2.745 -19.283 -1.194 500 HB3 ALA 83 HB3 ALA 83 1.734 -20.429 -0.281 501 H GLU 84 H GLU 84 4.379 -22.655 0.041 502 HA GLU 84 HA GLU 84 6.106 -21.898 -2.169 503 HB2 GLU 84 HB2 GLU 84 7.913 -23.302 -1.398 504 HB3 GLU 84 HB3 GLU 84 7.480 -22.238 -0.075 505 HG2 GLU 84 HG2 GLU 84 6.126 -24.032 0.971 506 HG3 GLU 84 HG3 GLU 84 6.444 -25.096 -0.384 507 HE2 GLU 84 HE2 GLU 84 8.511 -25.979 -0.504 508 H GLU 85 H GLU 85 3.326 -23.111 -1.772 509 HA GLU 85 HA GLU 85 3.300 -24.802 -3.855 510 HB2 GLU 85 HB2 GLU 85 4.534 -26.149 -1.687 511 HB3 GLU 85 HB3 GLU 85 2.916 -26.816 -1.775 512 HG2 GLU 85 HG2 GLU 85 4.544 -28.058 -3.220 513 HG3 GLU 85 HG3 GLU 85 3.206 -27.395 -4.136 514 HE2 GLU 85 HE2 GLU 85 5.168 -25.562 -6.146 515 H CYS 86 H CYS 86 1.160 -26.052 -4.017 516 HA CYS 86 HA CYS 86 -0.812 -24.594 -2.435 517 HB2 CYS 86 HB2 CYS 86 -1.116 -24.242 -4.783 518 HB3 CYS 86 HB3 CYS 86 -0.984 -25.953 -5.137 519 H PHE 87 H PHE 87 -1.366 -25.766 -0.617 520 HA PHE 87 HA PHE 87 -1.133 -28.613 -0.606 521 HB2 PHE 87 HB2 PHE 87 -2.405 -26.581 1.326 522 HB3 PHE 87 HB3 PHE 87 -2.019 -28.238 1.745 523 HD1 PHE 87 HD1 PHE 87 0.680 -28.195 0.159 524 HD2 PHE 87 HD2 PHE 87 -1.045 -25.639 3.074 525 HE1 PHE 87 HE1 PHE 87 2.973 -27.477 0.887 526 HE2 PHE 87 HE2 PHE 87 1.247 -24.921 3.802 527 HZ PHE 87 HZ PHE 87 3.229 -25.849 2.700 528 H SER 88 H SER 88 -3.692 -26.213 -1.137 529 HA SER 88 HA SER 88 -5.839 -27.876 -0.537 530 HB2 SER 88 HB2 SER 88 -7.143 -26.234 -1.963 531 HB3 SER 88 HB3 SER 88 -6.194 -25.500 -0.686 532 HG SER 88 HG SER 88 -5.244 -24.336 -2.198 533 H CYS 89 H CYS 89 -3.523 -27.932 -3.093 534 HA CYS 89 HA CYS 89 -5.052 -28.744 -5.246 535 HB2 CYS 89 HB2 CYS 89 -2.243 -28.651 -4.541 536 HB3 CYS 89 HB3 CYS 89 -2.598 -30.133 -5.405 537 H ASP 90 H ASP 90 -4.029 -30.372 -2.268 538 HA ASP 90 HA ASP 90 -4.780 -32.939 -3.343 539 HB2 ASP 90 HB2 ASP 90 -2.759 -32.569 -1.820 540 HB3 ASP 90 HB3 ASP 90 -3.877 -32.207 -0.520 541 HD2 ASP 90 HD2 ASP 90 -3.941 -35.592 -2.429 542 H PHE 91 H PHE 91 -6.183 -30.215 -1.819 543 HA PHE 91 HA PHE 91 -8.108 -31.751 -0.282 544 HB2 PHE 91 HB2 PHE 91 -7.009 -29.605 0.540 545 HB3 PHE 91 HB3 PHE 91 -7.691 -28.749 -0.828 546 HD1 PHE 91 HD1 PHE 91 -9.896 -31.234 0.488 547 HD2 PHE 91 HD2 PHE 91 -8.573 -27.238 1.029 548 HE1 PHE 91 HE1 PHE 91 -11.957 -30.733 1.829 549 HE2 PHE 91 HE2 PHE 91 -10.634 -26.737 2.370 550 HZ PHE 91 HZ PHE 91 -12.302 -28.490 2.754 551 H ASP 92 H ASP 92 -9.997 -32.434 -1.163 552 HA ASP 92 HA ASP 92 -11.051 -30.811 -3.341 553 HB2 ASP 92 HB2 ASP 92 -12.018 -33.090 -4.175 554 HB3 ASP 92 HB3 ASP 92 -10.331 -32.736 -4.496 555 HD2 ASP 92 HD2 ASP 92 -11.217 -35.291 -4.490 Start of MODEL 17 1 H SER 16 H SER 16 2.043 -0.265 -0.605 2 HA SER 16 HA SER 16 2.352 -2.892 -0.576 3 HB2 SER 16 HB2 SER 16 -0.421 -1.671 -0.849 4 HB3 SER 16 HB3 SER 16 0.039 -3.082 0.082 5 HG SER 16 HG SER 16 0.856 -1.837 1.684 6 H GLU 17 H GLU 17 1.399 -0.969 -3.334 7 HA GLU 17 HA GLU 17 0.342 -3.285 -4.701 8 HB2 GLU 17 HB2 GLU 17 0.563 -0.362 -5.545 9 HB3 GLU 17 HB3 GLU 17 -0.155 -1.620 -6.531 10 HG2 GLU 17 HG2 GLU 17 -1.115 -1.067 -3.694 11 HG3 GLU 17 HG3 GLU 17 -1.758 -0.193 -5.071 12 HE2 GLU 17 HE2 GLU 17 -3.810 -1.662 -4.221 13 H ALA 18 H ALA 18 3.107 -0.989 -4.744 14 HA ALA 18 HA ALA 18 4.247 -1.900 -7.135 15 HB1 ALA 18 HB1 ALA 18 4.719 0.235 -5.798 16 HB2 ALA 18 HB2 ALA 18 5.730 -0.775 -4.737 17 HB3 ALA 18 HB3 ALA 18 6.137 -0.611 -6.462 18 H VAL 19 H VAL 19 4.218 -3.139 -3.807 19 HA VAL 19 HA VAL 19 6.423 -4.907 -4.230 20 HB VAL 19 HB VAL 19 6.148 -5.491 -2.033 21 HG11 VAL 19 HG11 VAL 19 6.010 -3.514 -0.855 22 HG12 VAL 19 HG12 VAL 19 6.208 -2.896 -2.512 23 HG13 VAL 19 HG13 VAL 19 4.593 -2.939 -1.765 24 HG21 VAL 19 HG21 VAL 19 3.884 -6.451 -2.299 25 HG22 VAL 19 HG22 VAL 19 4.049 -5.516 -0.794 26 HG23 VAL 19 HG23 VAL 19 3.190 -4.816 -2.187 27 H TYR 20 H TYR 20 2.815 -5.228 -4.039 28 HA TYR 20 HA TYR 20 2.754 -7.974 -4.516 29 HB2 TYR 20 HB2 TYR 20 0.996 -5.525 -4.671 30 HB3 TYR 20 HB3 TYR 20 0.423 -6.890 -5.609 31 HD1 TYR 20 HD2 TYR 20 2.318 -7.656 -2.596 32 HD2 TYR 20 HD1 TYR 20 -1.599 -6.900 -4.140 33 HE1 TYR 20 HE2 TYR 20 1.290 -8.667 -0.502 34 HE2 TYR 20 HE1 TYR 20 -2.614 -7.914 -2.041 35 HH TYR 20 HH TYR 20 -0.542 -9.346 0.452 36 H ILE 21 H ILE 21 3.009 -5.164 -6.713 37 HA ILE 21 HA ILE 21 2.449 -6.720 -9.042 38 HB ILE 21 HB ILE 21 2.224 -4.135 -8.502 39 HG12 ILE 21 HG12 ILE 21 1.204 -5.006 -10.423 40 HG13 ILE 21 HG13 ILE 21 2.282 -3.761 -11.022 41 HG21 ILE 21 HG21 ILE 21 4.980 -4.383 -9.731 42 HG22 ILE 21 HG22 ILE 21 4.020 -2.884 -9.715 43 HG23 ILE 21 HG23 ILE 21 4.538 -3.624 -8.182 44 HD11 ILE 21 HD11 ILE 21 2.537 -5.732 -12.429 45 HD12 ILE 21 HD12 ILE 21 4.021 -5.550 -11.465 46 HD13 ILE 21 HD13 ILE 21 2.806 -6.767 -11.006 47 H ALA 22 H ALA 22 5.362 -5.545 -7.290 48 HA ALA 22 HA ALA 22 7.203 -6.372 -9.244 49 HB1 ALA 22 HB1 ALA 22 7.423 -5.897 -6.247 50 HB2 ALA 22 HB2 ALA 22 8.818 -6.186 -7.315 51 HB3 ALA 22 HB3 ALA 22 7.797 -4.747 -7.553 52 H ILE 23 H ILE 23 5.520 -8.015 -6.554 53 HA ILE 23 HA ILE 23 7.150 -10.381 -6.904 54 HB ILE 23 HB ILE 23 5.872 -11.263 -5.044 55 HG12 ILE 23 HG12 ILE 23 4.329 -9.362 -3.938 56 HG13 ILE 23 HG13 ILE 23 4.099 -8.937 -5.623 57 HG21 ILE 23 HG21 ILE 23 6.323 -8.800 -3.704 58 HG22 ILE 23 HG22 ILE 23 7.372 -10.236 -3.777 59 HG23 ILE 23 HG23 ILE 23 7.544 -8.945 -4.990 60 HD11 ILE 23 HD11 ILE 23 2.770 -10.981 -4.227 61 HD12 ILE 23 HD12 ILE 23 2.774 -10.743 -5.991 62 HD13 ILE 23 HD13 ILE 23 3.954 -11.843 -5.240 63 H GLU 24 H GLU 24 4.152 -8.972 -8.047 64 HA GLU 24 HA GLU 24 3.251 -11.573 -8.947 65 HB2 GLU 24 HB2 GLU 24 1.608 -10.070 -7.848 66 HB3 GLU 24 HB3 GLU 24 1.898 -8.841 -9.063 67 HG2 GLU 24 HG2 GLU 24 0.929 -10.171 -10.811 68 HG3 GLU 24 HG3 GLU 24 1.015 -11.640 -9.859 69 HE2 GLU 24 HE2 GLU 24 -0.765 -9.213 -7.756 70 H ALA 25 H ALA 25 5.425 -9.316 -9.969 71 HA ALA 25 HA ALA 25 4.565 -9.050 -12.697 72 HB1 ALA 25 HB1 ALA 25 7.155 -8.249 -12.688 73 HB2 ALA 25 HB2 ALA 25 5.812 -7.212 -12.150 74 HB3 ALA 25 HB3 ALA 25 6.788 -8.097 -10.953 75 H GLY 26 H GLY 26 5.483 -11.687 -10.992 76 HA2 GLY 26 HA2 GLY 26 5.786 -13.679 -12.372 77 HA3 GLY 26 HA3 GLY 26 7.016 -12.805 -13.264 78 H THR 27 H THR 27 6.572 -12.536 -9.716 79 HA THR 27 HA THR 27 9.283 -13.576 -9.390 80 HB THR 27 HB THR 27 7.493 -12.289 -7.283 81 HG1 THR 27 HG1 THR 27 8.656 -10.307 -8.207 82 HG21 THR 27 HG21 THR 27 10.096 -11.251 -7.196 83 HG22 THR 27 HG22 THR 27 9.460 -12.516 -6.118 84 HG23 THR 27 HG23 THR 27 10.360 -12.967 -7.586 85 H LEU 28 H LEU 28 5.933 -14.094 -8.126 86 HA LEU 28 HA LEU 28 6.847 -16.781 -7.369 87 HB2 LEU 28 HB2 LEU 28 4.571 -15.642 -5.889 88 HB3 LEU 28 HB3 LEU 28 5.890 -16.657 -5.342 89 HG LEU 28 HG LEU 28 6.071 -13.675 -5.855 90 HD11 LEU 28 HD11 LEU 28 6.115 -13.386 -3.469 91 HD12 LEU 28 HD12 LEU 28 4.655 -14.304 -3.908 92 HD13 LEU 28 HD13 LEU 28 6.058 -15.145 -3.207 93 HD21 LEU 28 HD21 LEU 28 8.221 -14.361 -4.292 94 HD22 LEU 28 HD22 LEU 28 8.103 -15.744 -5.408 95 HD23 LEU 28 HD23 LEU 28 8.259 -14.092 -6.052 96 H ALA 29 H ALA 29 4.718 -18.234 -7.056 97 HA ALA 29 HA ALA 29 2.933 -17.624 -9.307 98 HB1 ALA 29 HB1 ALA 29 2.983 -20.155 -9.709 99 HB2 ALA 29 HB2 ALA 29 4.447 -19.253 -10.168 100 HB3 ALA 29 HB3 ALA 29 4.418 -20.191 -8.656 101 H GLU 30 H GLU 30 0.753 -18.108 -8.965 102 HA GLU 30 HA GLU 30 0.131 -19.479 -6.491 103 HB2 GLU 30 HB2 GLU 30 -1.680 -17.684 -6.083 104 HB3 GLU 30 HB3 GLU 30 -0.024 -17.246 -5.710 105 HG2 GLU 30 HG2 GLU 30 -0.791 -15.383 -6.945 106 HG3 GLU 30 HG3 GLU 30 0.083 -16.311 -8.148 107 HE2 GLU 30 HE2 GLU 30 -3.817 -16.152 -7.722 108 H CYS 31 H CYS 31 -1.603 -20.879 -6.706 109 HA CYS 31 HA CYS 31 -2.534 -21.473 -9.242 110 HB2 CYS 31 HB2 CYS 31 -2.947 -22.439 -6.534 111 HB3 CYS 31 HB3 CYS 31 -4.455 -22.449 -7.428 112 H GLU 32 H GLU 32 -4.430 -20.879 -10.379 113 HA GLU 32 HA GLU 32 -5.804 -18.599 -9.212 114 HB2 GLU 32 HB2 GLU 32 -5.393 -19.527 -12.075 115 HB3 GLU 32 HB3 GLU 32 -6.599 -18.320 -11.674 116 HG2 GLU 32 HG2 GLU 32 -3.704 -18.034 -10.773 117 HG3 GLU 32 HG3 GLU 32 -4.229 -17.481 -12.351 118 HE2 GLU 32 HE2 GLU 32 -6.765 -15.594 -10.357 119 H VAL 33 H VAL 33 -6.256 -21.602 -8.697 120 HA VAL 33 HA VAL 33 -9.009 -21.775 -9.694 121 HB VAL 33 HB VAL 33 -8.800 -24.033 -9.733 122 HG11 VAL 33 HG11 VAL 33 -6.553 -24.691 -10.544 123 HG12 VAL 33 HG12 VAL 33 -7.125 -23.171 -11.274 124 HG13 VAL 33 HG13 VAL 33 -5.910 -23.133 -9.973 125 HG21 VAL 33 HG21 VAL 33 -7.005 -25.250 -8.315 126 HG22 VAL 33 HG22 VAL 33 -6.896 -23.719 -7.414 127 HG23 VAL 33 HG23 VAL 33 -8.442 -24.598 -7.492 128 H HIS 34 H HIS 34 -6.898 -21.728 -6.808 129 HA HIS 34 HA HIS 34 -9.306 -21.271 -5.232 130 HB2 HIS 34 HB2 HIS 34 -7.856 -22.650 -3.430 131 HB3 HIS 34 HB3 HIS 34 -9.106 -23.361 -4.431 132 HD1 HIS 34 HD1 HIS 34 -8.383 -25.491 -5.492 133 HD2 HIS 34 HD2 HIS 34 -5.178 -22.835 -4.979 134 HE1 HIS 34 HE1 HIS 34 -6.309 -26.697 -6.363 135 H GLU 35 H GLU 35 -9.112 -19.298 -4.311 136 HA GLU 35 HA GLU 35 -6.624 -17.996 -4.297 137 HB2 GLU 35 HB2 GLU 35 -9.419 -17.364 -3.385 138 HB3 GLU 35 HB3 GLU 35 -8.120 -16.379 -2.741 139 HG2 GLU 35 HG2 GLU 35 -8.893 -15.287 -4.754 140 HG3 GLU 35 HG3 GLU 35 -7.324 -15.975 -5.121 141 HE2 GLU 35 HE2 GLU 35 -10.770 -17.584 -5.929 142 H GLY 36 H GLY 36 -5.289 -17.370 -2.505 143 HA2 GLY 36 HA2 GLY 36 -4.897 -17.294 -0.156 144 HA3 GLY 36 HA3 GLY 36 -5.890 -18.724 0.047 145 H THR 37 H THR 37 -4.766 -20.118 -2.358 146 HA THR 37 HA THR 37 -2.389 -21.138 -1.046 147 HB THR 37 HB THR 37 -2.776 -22.614 -3.349 148 HG1 THR 37 HG1 THR 37 -4.614 -21.259 -3.909 149 HG21 THR 37 HG21 THR 37 -4.784 -23.610 -1.653 150 HG22 THR 37 HG22 THR 37 -3.072 -24.092 -1.618 151 HG23 THR 37 HG23 THR 37 -3.657 -22.808 -0.533 152 H TYR 38 H TYR 38 -0.352 -20.598 -1.503 153 HA TYR 38 HA TYR 38 0.193 -19.547 -4.180 154 HB2 TYR 38 HB2 TYR 38 0.558 -18.333 -1.407 155 HB3 TYR 38 HB3 TYR 38 1.783 -17.977 -2.609 156 HD1 TYR 38 HD1 TYR 38 -1.956 -17.949 -2.253 157 HD2 TYR 38 HD2 TYR 38 1.511 -16.082 -3.925 158 HE1 TYR 38 HE1 TYR 38 -3.403 -16.076 -3.183 159 HE2 TYR 38 HE2 TYR 38 0.053 -14.216 -4.849 160 HH TYR 38 HH TYR 38 -3.468 -14.265 -4.348 161 H PHE 39 H PHE 39 2.698 -19.305 -4.452 162 HA PHE 39 HA PHE 39 4.381 -20.804 -2.791 163 HB2 PHE 39 HB2 PHE 39 4.601 -22.825 -4.160 164 HB3 PHE 39 HB3 PHE 39 2.884 -22.607 -3.884 165 HD1 PHE 39 HD2 PHE 39 1.428 -21.793 -5.702 166 HD2 PHE 39 HD1 PHE 39 5.539 -22.610 -6.361 167 HE1 PHE 39 HE2 PHE 39 1.024 -21.825 -8.179 168 HE2 PHE 39 HE1 PHE 39 5.136 -22.642 -8.838 169 HZ PHE 39 HZ PHE 39 2.883 -22.248 -9.718 170 H SER 40 H SER 40 6.248 -19.689 -3.081 171 HA SER 40 HA SER 40 6.670 -18.444 -5.640 172 HB2 SER 40 HB2 SER 40 8.664 -17.407 -4.414 173 HB3 SER 40 HB3 SER 40 7.080 -16.994 -3.789 174 HG SER 40 HG SER 40 9.016 -18.828 -2.698 175 H ASP 41 H ASP 41 8.663 -18.741 -6.886 176 HA ASP 41 HA ASP 41 9.363 -21.205 -7.455 177 HB2 ASP 41 HB2 ASP 41 10.413 -18.623 -7.958 178 HB3 ASP 41 HB3 ASP 41 11.791 -19.550 -7.398 179 HD2 ASP 41 HD2 ASP 41 11.383 -21.969 -8.638 180 H SER 42 H SER 42 9.657 -22.718 -5.735 181 HA SER 42 HA SER 42 11.230 -22.084 -3.495 182 HB2 SER 42 HB2 SER 42 9.397 -23.722 -3.384 183 HB3 SER 42 HB3 SER 42 10.195 -24.749 -4.557 184 HG SER 42 HG SER 42 11.541 -24.027 -2.120 185 H GLY 43 H GLY 43 13.389 -22.666 -2.999 186 HA2 GLY 43 HA2 GLY 43 15.310 -24.021 -3.436 187 HA3 GLY 43 HA3 GLY 43 14.893 -24.039 -5.138 188 H ASP 44 H ASP 44 14.089 -21.096 -5.063 189 HA ASP 44 HA ASP 44 16.655 -19.884 -4.526 190 HB2 ASP 44 HB2 ASP 44 15.215 -19.518 -7.192 191 HB3 ASP 44 HB3 ASP 44 16.769 -18.844 -6.743 192 HD2 ASP 44 HD2 ASP 44 18.354 -20.300 -6.326 193 H ILE 45 H ILE 45 15.366 -18.835 -2.794 194 HA ILE 45 HA ILE 45 13.004 -17.397 -3.450 195 HB ILE 45 HB ILE 45 14.731 -17.790 -1.057 196 HG12 ILE 45 HG12 ILE 45 12.563 -19.092 -1.948 197 HG13 ILE 45 HG13 ILE 45 12.968 -18.950 -0.249 198 HG21 ILE 45 HG21 ILE 45 13.068 -15.374 -1.575 199 HG22 ILE 45 HG22 ILE 45 12.962 -16.123 0.036 200 HG23 ILE 45 HG23 ILE 45 14.536 -15.574 -0.588 201 HD11 ILE 45 HD11 ILE 45 11.363 -16.711 -1.446 202 HD12 ILE 45 HD12 ILE 45 10.541 -18.271 -1.201 203 HD13 ILE 45 HD13 ILE 45 11.277 -17.426 0.182 204 H SER 46 H SER 46 16.495 -16.631 -3.125 205 HA SER 46 HA SER 46 16.117 -13.863 -3.277 206 HB2 SER 46 HB2 SER 46 18.629 -13.961 -3.972 207 HB3 SER 46 HB3 SER 46 18.185 -14.516 -2.371 208 HG SER 46 HG SER 46 19.170 -15.968 -4.571 209 H GLU 47 H GLU 47 16.286 -16.491 -5.641 210 HA GLU 47 HA GLU 47 17.068 -15.050 -7.852 211 HB2 GLU 47 HB2 GLU 47 17.042 -17.404 -8.073 212 HB3 GLU 47 HB3 GLU 47 15.415 -17.551 -7.440 213 HG2 GLU 47 HG2 GLU 47 14.412 -16.852 -9.462 214 HG3 GLU 47 HG3 GLU 47 15.843 -15.994 -9.999 215 HE2 GLU 47 HE2 GLU 47 17.682 -18.723 -9.883 216 H ALA 48 H ALA 48 13.944 -15.274 -6.162 217 HA ALA 48 HA ALA 48 12.371 -14.212 -8.249 218 HB1 ALA 48 HB1 ALA 48 11.379 -13.604 -5.589 219 HB2 ALA 48 HB2 ALA 48 10.751 -14.758 -6.789 220 HB3 ALA 48 HB3 ALA 48 12.020 -15.263 -5.648 221 H GLU 49 H GLU 49 14.503 -12.832 -5.764 222 HA GLU 49 HA GLU 49 13.442 -10.226 -6.018 223 HB2 GLU 49 HB2 GLU 49 15.803 -11.494 -4.653 224 HB3 GLU 49 HB3 GLU 49 15.848 -9.760 -4.903 225 HG2 GLU 49 HG2 GLU 49 14.833 -10.111 -2.744 226 HG3 GLU 49 HG3 GLU 49 13.543 -9.617 -3.822 227 HE2 GLU 49 HE2 GLU 49 11.943 -12.623 -3.855 228 H GLU 50 H GLU 50 16.246 -12.030 -7.392 229 HA GLU 50 HA GLU 50 17.394 -9.844 -8.652 230 HB2 GLU 50 HB2 GLU 50 18.912 -11.375 -9.432 231 HB3 GLU 50 HB3 GLU 50 18.135 -12.420 -8.260 232 HG2 GLU 50 HG2 GLU 50 18.156 -13.692 -10.279 233 HG3 GLU 50 HG3 GLU 50 16.508 -13.112 -10.139 234 HE2 GLU 50 HE2 GLU 50 17.483 -13.088 -13.264 235 H LEU 51 H LEU 51 14.896 -12.222 -9.702 236 HA LEU 51 HA LEU 51 14.768 -11.202 -12.350 237 HB2 LEU 51 HB2 LEU 51 12.781 -12.625 -12.526 238 HB3 LEU 51 HB3 LEU 51 14.193 -13.473 -11.927 239 HG LEU 51 HG LEU 51 13.162 -12.973 -9.564 240 HD11 LEU 51 HD11 LEU 51 10.978 -12.407 -9.379 241 HD12 LEU 51 HD12 LEU 51 11.308 -11.599 -10.930 242 HD13 LEU 51 HD13 LEU 51 10.523 -13.196 -10.909 243 HD21 LEU 51 HD21 LEU 51 11.505 -15.057 -10.246 244 HD22 LEU 51 HD22 LEU 51 12.750 -15.121 -11.517 245 HD23 LEU 51 HD23 LEU 51 13.224 -15.194 -9.803 246 H ALA 52 H ALA 52 13.212 -10.468 -9.232 247 HA ALA 52 HA ALA 52 11.131 -8.903 -10.364 248 HB1 ALA 52 HB1 ALA 52 11.250 -8.032 -7.834 249 HB2 ALA 52 HB2 ALA 52 10.588 -9.632 -8.246 250 HB3 ALA 52 HB3 ALA 52 12.258 -9.486 -7.648 251 H ARG 53 H ARG 53 14.494 -8.341 -9.295 252 HA ARG 53 HA ARG 53 14.298 -5.571 -9.218 253 HB2 ARG 53 HB2 ARG 53 16.229 -6.346 -8.154 254 HB3 ARG 53 HB3 ARG 53 16.513 -7.601 -9.343 255 HG2 ARG 53 HG2 ARG 53 16.758 -4.731 -10.240 256 HG3 ARG 53 HG3 ARG 53 18.036 -5.386 -9.236 257 HD2 ARG 53 HD2 ARG 53 17.764 -7.441 -11.031 258 HD3 ARG 53 HD3 ARG 53 17.275 -6.098 -12.045 259 HE ARG 53 HE ARG 53 19.558 -5.111 -10.898 260 HH11 ARG 53 HH22 ARG 53 18.862 -8.171 -12.488 261 HH12 ARG 53 HH21 ARG 53 20.482 -8.388 -13.063 262 HH21 ARG 53 HH12 ARG 53 21.695 -5.395 -11.656 263 HH22 ARG 53 HH11 ARG 53 22.104 -6.798 -12.586 264 H GLU 54 H GLU 54 15.269 -7.924 -11.788 265 HA GLU 54 HA GLU 54 15.864 -5.849 -13.627 266 HB2 GLU 54 HB2 GLU 54 16.063 -8.774 -13.506 267 HB3 GLU 54 HB3 GLU 54 15.497 -8.240 -15.076 268 HG2 GLU 54 HG2 GLU 54 17.827 -6.774 -13.835 269 HG3 GLU 54 HG3 GLU 54 18.118 -8.371 -14.496 270 HE2 GLU 54 HE2 GLU 54 18.290 -8.241 -17.044 271 H LYS 55 H LYS 55 13.053 -7.864 -12.781 272 HA LYS 55 HA LYS 55 11.573 -7.453 -15.115 273 HB2 LYS 55 HB2 LYS 55 11.022 -8.338 -12.321 274 HB3 LYS 55 HB3 LYS 55 9.651 -7.811 -13.275 275 HG2 LYS 55 HG2 LYS 55 11.666 -9.968 -14.062 276 HG3 LYS 55 HG3 LYS 55 10.009 -10.238 -13.560 277 HD2 LYS 55 HD2 LYS 55 11.046 -9.094 -16.153 278 HD3 LYS 55 HD3 LYS 55 9.817 -10.318 -15.901 279 HE2 LYS 55 HE2 LYS 55 9.485 -7.351 -15.239 280 HE3 LYS 55 HE3 LYS 55 8.854 -8.133 -16.675 281 HZ1 LYS 55 HZ1 LYS 55 7.320 -9.269 -15.461 282 HZ2 LYS 55 HZ2 LYS 55 8.179 -9.239 -14.072 283 HZ3 LYS 55 HZ3 LYS 55 7.402 -7.895 -14.581 284 H PHE 56 H PHE 56 11.531 -5.694 -11.937 285 HA PHE 56 HA PHE 56 9.742 -3.730 -12.910 286 HB2 PHE 56 HB2 PHE 56 9.865 -3.077 -10.662 287 HB3 PHE 56 HB3 PHE 56 10.654 -4.631 -10.472 288 HD1 PHE 56 HD2 PHE 56 11.577 -1.138 -11.441 289 HD2 PHE 56 HD1 PHE 56 12.634 -4.650 -9.305 290 HE1 PHE 56 HE2 PHE 56 13.632 0.010 -10.570 291 HE2 PHE 56 HE1 PHE 56 14.689 -3.501 -8.434 292 HZ PHE 56 HZ PHE 56 15.163 -1.185 -9.077 293 H GLU 57 H GLU 57 13.314 -4.009 -12.627 294 HA GLU 57 HA GLU 57 13.949 -1.383 -13.029 295 HB2 GLU 57 HB2 GLU 57 15.317 -4.008 -13.561 296 HB3 GLU 57 HB3 GLU 57 16.038 -2.568 -14.251 297 HG2 GLU 57 HG2 GLU 57 15.234 -2.677 -11.318 298 HG3 GLU 57 HG3 GLU 57 16.788 -3.284 -11.856 299 HE2 GLU 57 HE2 GLU 57 15.967 0.579 -11.637 300 H LYS 58 H LYS 58 13.023 -3.931 -15.377 301 HA LYS 58 HA LYS 58 13.076 -1.859 -17.461 302 HB2 LYS 58 HB2 LYS 58 14.716 -3.908 -17.558 303 HB3 LYS 58 HB3 LYS 58 13.297 -4.792 -18.082 304 HG2 LYS 58 HG2 LYS 58 14.416 -3.959 -20.070 305 HG3 LYS 58 HG3 LYS 58 12.927 -3.053 -19.882 306 HD2 LYS 58 HD2 LYS 58 14.033 -1.087 -19.221 307 HD3 LYS 58 HD3 LYS 58 15.425 -1.950 -18.596 308 HE2 LYS 58 HE2 LYS 58 16.258 -2.414 -20.830 309 HE3 LYS 58 HE3 LYS 58 14.759 -1.890 -21.571 310 HZ1 LYS 58 HZ1 LYS 58 15.217 0.327 -20.640 311 HZ2 LYS 58 HZ2 LYS 58 16.680 -0.197 -20.136 312 HZ3 LYS 58 HZ3 LYS 58 16.332 -0.157 -21.731 313 H GLY 59 H GLY 59 11.009 -2.814 -15.355 314 HA2 GLY 59 HA2 GLY 59 8.912 -3.735 -17.212 315 HA3 GLY 59 HA3 GLY 59 8.902 -3.902 -15.467 316 H GLU 60 H GLU 60 7.346 -2.626 -14.572 317 HA GLU 60 HA GLU 60 7.196 0.099 -15.597 318 HB2 GLU 60 HB2 GLU 60 4.982 -1.886 -15.084 319 HB3 GLU 60 HB3 GLU 60 4.658 -0.185 -14.816 320 HG2 GLU 60 HG2 GLU 60 5.680 0.191 -17.194 321 HG3 GLU 60 HG3 GLU 60 5.504 -1.540 -17.404 322 HE2 GLU 60 HE2 GLU 60 3.786 1.357 -17.572 323 H VAL 61 H VAL 61 7.627 1.594 -14.034 324 HA VAL 61 HA VAL 61 7.034 0.817 -11.264 325 HB VAL 61 HB VAL 61 9.063 1.814 -10.532 326 HG11 VAL 61 HG11 VAL 61 9.860 -0.244 -10.954 327 HG12 VAL 61 HG12 VAL 61 9.102 -0.308 -12.563 328 HG13 VAL 61 HG13 VAL 61 10.672 0.503 -12.351 329 HG21 VAL 61 HG21 VAL 61 9.111 2.975 -13.267 330 HG22 VAL 61 HG22 VAL 61 9.635 3.667 -11.714 331 HG23 VAL 61 HG23 VAL 61 10.684 2.516 -12.574 332 H SER 62 H SER 62 5.475 2.110 -10.453 333 HA SER 62 HA SER 62 4.254 4.108 -11.627 334 HB2 SER 62 HB2 SER 62 4.897 3.644 -8.712 335 HB3 SER 62 HB3 SER 62 4.025 5.096 -9.161 336 HG SER 62 HG SER 62 2.919 2.950 -10.461 337 H ASN 63 H ASN 63 6.713 4.902 -9.061 338 HA ASN 63 HA ASN 63 7.397 7.218 -10.695 339 HB2 ASN 63 HB2 ASN 63 7.318 6.821 -7.669 340 HB3 ASN 63 HB3 ASN 63 8.213 8.146 -8.386 341 HD21 ASN 63 HD21 ASN 63 5.158 6.889 -7.510 342 HD22 ASN 63 HD22 ASN 63 4.154 8.203 -8.025 343 H PHE 64 H PHE 64 8.647 5.023 -8.057 344 HA PHE 64 HA PHE 64 10.837 4.109 -9.465 345 HB2 PHE 64 HB2 PHE 64 12.540 5.650 -8.962 346 HB3 PHE 64 HB3 PHE 64 11.193 6.770 -8.932 347 HD1 PHE 64 HD2 PHE 64 13.578 4.894 -6.883 348 HD2 PHE 64 HD1 PHE 64 10.368 7.670 -6.839 349 HE1 PHE 64 HE2 PHE 64 14.117 5.480 -4.503 350 HE2 PHE 64 HE1 PHE 64 10.908 8.256 -4.459 351 HZ PHE 64 HZ PHE 64 12.776 7.154 -3.319 352 H ASP 65 H ASP 65 12.669 3.360 -7.729 353 HA ASP 65 HA ASP 65 12.034 3.071 -5.108 354 HB2 ASP 65 HB2 ASP 65 10.673 1.090 -6.895 355 HB3 ASP 65 HB3 ASP 65 11.470 0.411 -5.490 356 HD2 ASP 65 HD2 ASP 65 9.200 1.689 -3.242 357 H ASP 66 H ASP 66 14.138 2.679 -4.407 358 HA ASP 66 HA ASP 66 16.226 2.038 -5.875 359 HB2 ASP 66 HB2 ASP 66 15.992 2.513 -3.306 360 HB3 ASP 66 HB3 ASP 66 15.903 0.772 -3.128 361 HD2 ASP 66 HD2 ASP 66 19.358 2.435 -4.302 362 H VAL 67 H VAL 67 17.429 0.038 -6.394 363 HA VAL 67 HA VAL 67 15.756 -2.117 -7.100 364 HB VAL 67 HB VAL 67 17.545 -1.773 -8.507 365 HG11 VAL 67 HG11 VAL 67 19.060 -1.171 -6.008 366 HG12 VAL 67 HG12 VAL 67 19.979 -1.816 -7.389 367 HG13 VAL 67 HG13 VAL 67 19.034 -0.318 -7.570 368 HG21 VAL 67 HG21 VAL 67 17.289 -4.179 -7.787 369 HG22 VAL 67 HG22 VAL 67 18.880 -3.756 -8.464 370 HG23 VAL 67 HG23 VAL 67 18.680 -3.931 -6.704 371 H GLU 68 H GLU 68 18.100 -1.517 -4.429 372 HA GLU 68 HA GLU 68 17.883 -4.136 -3.433 373 HB2 GLU 68 HB2 GLU 68 19.504 -3.468 -1.967 374 HB3 GLU 68 HB3 GLU 68 19.619 -2.077 -3.025 375 HG2 GLU 68 HG2 GLU 68 17.919 -0.886 -1.575 376 HG3 GLU 68 HG3 GLU 68 17.931 -2.258 -0.485 377 HE2 GLU 68 HE2 GLU 68 19.694 0.264 -1.758 378 H GLU 69 H GLU 69 16.021 -1.149 -3.066 379 HA GLU 69 HA GLU 69 14.764 -1.936 -0.666 380 HB2 GLU 69 HB2 GLU 69 14.982 0.436 -1.377 381 HB3 GLU 69 HB3 GLU 69 13.941 0.131 -2.753 382 HG2 GLU 69 HG2 GLU 69 12.049 -0.404 -1.286 383 HG3 GLU 69 HG3 GLU 69 13.072 -0.336 0.136 384 HE2 GLU 69 HE2 GLU 69 12.064 2.843 -2.013 385 H LEU 70 H LEU 70 13.828 -1.945 -4.168 386 HA LEU 70 HA LEU 70 11.271 -2.993 -3.770 387 HB2 LEU 70 HB2 LEU 70 12.622 -1.957 -5.849 388 HB3 LEU 70 HB3 LEU 70 12.757 -3.658 -6.249 389 HG LEU 70 HG LEU 70 10.259 -1.988 -5.983 390 HD11 LEU 70 HD11 LEU 70 10.964 -3.844 -8.241 391 HD12 LEU 70 HD12 LEU 70 9.910 -2.409 -8.236 392 HD13 LEU 70 HD13 LEU 70 11.677 -2.216 -8.142 393 HD21 LEU 70 HD21 LEU 70 8.860 -3.868 -6.004 394 HD22 LEU 70 HD22 LEU 70 10.201 -4.978 -6.376 395 HD23 LEU 70 HD23 LEU 70 10.084 -4.231 -4.764 396 H VAL 71 H VAL 71 14.384 -4.637 -4.669 397 HA VAL 71 HA VAL 71 13.442 -7.200 -4.747 398 HB VAL 71 HB VAL 71 15.742 -7.863 -4.267 399 HG11 VAL 71 HG11 VAL 71 15.558 -7.300 -6.498 400 HG12 VAL 71 HG12 VAL 71 15.174 -5.597 -6.152 401 HG13 VAL 71 HG13 VAL 71 16.844 -6.186 -5.977 402 HG21 VAL 71 HG21 VAL 71 16.061 -4.975 -3.409 403 HG22 VAL 71 HG22 VAL 71 16.379 -6.448 -2.462 404 HG23 VAL 71 HG23 VAL 71 17.436 -6.023 -3.830 405 H LYS 72 H LYS 72 14.665 -5.352 -1.876 406 HA LYS 72 HA LYS 72 14.331 -7.409 -0.043 407 HB2 LYS 72 HB2 LYS 72 15.649 -5.630 0.663 408 HB3 LYS 72 HB3 LYS 72 14.506 -4.416 0.125 409 HG2 LYS 72 HG2 LYS 72 14.330 -4.471 2.522 410 HG3 LYS 72 HG3 LYS 72 12.890 -5.266 1.917 411 HD2 LYS 72 HD2 LYS 72 13.668 -7.427 2.507 412 HD3 LYS 72 HD3 LYS 72 15.347 -6.926 2.538 413 HE2 LYS 72 HE2 LYS 72 14.649 -5.379 4.532 414 HE3 LYS 72 HE3 LYS 72 13.182 -6.336 4.593 415 HZ1 LYS 72 HZ1 LYS 72 15.701 -7.761 4.493 416 HZ2 LYS 72 HZ2 LYS 72 15.309 -7.022 5.896 417 HZ3 LYS 72 HZ3 LYS 72 14.315 -8.153 5.264 418 H LYS 73 H LYS 73 12.024 -5.117 -1.500 419 HA LYS 73 HA LYS 73 9.952 -5.744 0.365 420 HB2 LYS 73 HB2 LYS 73 10.141 -4.152 -2.184 421 HB3 LYS 73 HB3 LYS 73 8.578 -4.526 -1.487 422 HG2 LYS 73 HG2 LYS 73 9.742 -3.653 0.768 423 HG3 LYS 73 HG3 LYS 73 10.805 -2.828 -0.355 424 HD2 LYS 73 HD2 LYS 73 9.031 -1.547 -1.298 425 HD3 LYS 73 HD3 LYS 73 7.797 -2.644 -0.710 426 HE2 LYS 73 HE2 LYS 73 7.717 -0.674 0.696 427 HE3 LYS 73 HE3 LYS 73 8.404 -1.963 1.664 428 HZ1 LYS 73 HZ1 LYS 73 9.604 0.450 0.803 429 HZ2 LYS 73 HZ2 LYS 73 10.067 -0.569 1.992 430 HZ3 LYS 73 HZ3 LYS 73 10.542 -0.840 0.453 431 H VAL 74 H VAL 74 11.201 -7.049 -2.678 432 HA VAL 74 HA VAL 74 8.848 -8.518 -3.306 433 HB VAL 74 HB VAL 74 11.725 -8.729 -4.208 434 HG11 VAL 74 HG11 VAL 74 11.149 -10.310 -5.799 435 HG12 VAL 74 HG12 VAL 74 10.154 -10.822 -4.414 436 HG13 VAL 74 HG13 VAL 74 9.419 -9.895 -5.744 437 HG21 VAL 74 HG21 VAL 74 10.181 -6.642 -4.680 438 HG22 VAL 74 HG22 VAL 74 11.205 -7.327 -5.965 439 HG23 VAL 74 HG23 VAL 74 9.469 -7.715 -5.908 440 H VAL 75 H VAL 75 11.992 -9.242 -1.673 441 HA VAL 75 HA VAL 75 11.392 -11.967 -1.267 442 HB VAL 75 HB VAL 75 13.616 -10.552 -1.188 443 HG11 VAL 75 HG11 VAL 75 14.389 -10.272 1.176 444 HG12 VAL 75 HG12 VAL 75 13.085 -9.156 0.705 445 HG13 VAL 75 HG13 VAL 75 12.719 -10.577 1.712 446 HG21 VAL 75 HG21 VAL 75 14.682 -12.465 -0.498 447 HG22 VAL 75 HG22 VAL 75 13.538 -12.759 0.834 448 HG23 VAL 75 HG23 VAL 75 13.066 -13.127 -0.842 449 H ALA 76 H ALA 76 10.728 -8.947 0.529 450 HA ALA 76 HA ALA 76 9.956 -10.193 2.931 451 HB1 ALA 76 HB1 ALA 76 8.946 -7.546 1.839 452 HB2 ALA 76 HB2 ALA 76 9.178 -8.021 3.539 453 HB3 ALA 76 HB3 ALA 76 10.590 -7.750 2.490 454 H VAL 77 H VAL 77 8.180 -9.180 -0.046 455 HA VAL 77 HA VAL 77 5.638 -9.851 0.958 456 HB VAL 77 HB VAL 77 6.683 -9.642 -1.873 457 HG11 VAL 77 HG11 VAL 77 4.051 -8.933 -1.994 458 HG12 VAL 77 HG12 VAL 77 4.678 -10.555 -2.373 459 HG13 VAL 77 HG13 VAL 77 4.003 -10.215 -0.761 460 HG21 VAL 77 HG21 VAL 77 6.510 -7.399 -1.744 461 HG22 VAL 77 HG22 VAL 77 5.021 -7.470 -0.771 462 HG23 VAL 77 HG23 VAL 77 6.607 -7.655 0.015 463 H CYS 78 H CYS 78 8.041 -11.621 -1.096 464 HA CYS 78 HA CYS 78 6.495 -13.879 -1.484 465 HB2 CYS 78 HB2 CYS 78 8.391 -14.859 -2.379 466 HB3 CYS 78 HB3 CYS 78 8.757 -13.154 -2.556 467 HG CYS 78 HG CYS 78 10.965 -13.929 -1.768 468 H GLU 79 H GLU 79 8.710 -12.860 1.170 469 HA GLU 79 HA GLU 79 8.516 -15.344 2.503 470 HB2 GLU 79 HB2 GLU 79 10.430 -13.665 2.680 471 HB3 GLU 79 HB3 GLU 79 9.380 -12.659 3.658 472 HG2 GLU 79 HG2 GLU 79 10.751 -14.019 5.150 473 HG3 GLU 79 HG3 GLU 79 9.091 -14.566 5.274 474 HE2 GLU 79 HE2 GLU 79 11.904 -15.085 3.484 475 H GLU 80 H GLU 80 6.663 -12.332 2.425 476 HA GLU 80 HA GLU 80 5.372 -12.809 4.901 477 HB2 GLU 80 HB2 GLU 80 5.593 -10.527 4.101 478 HB3 GLU 80 HB3 GLU 80 4.800 -10.914 2.587 479 HG2 GLU 80 HG2 GLU 80 2.664 -11.237 3.665 480 HG3 GLU 80 HG3 GLU 80 3.389 -11.286 5.260 481 HE2 GLU 80 HE2 GLU 80 1.555 -8.583 4.149 482 H LEU 81 H LEU 81 5.033 -13.975 1.637 483 HA LEU 81 HA LEU 81 2.234 -14.611 1.933 484 HB2 LEU 81 HB2 LEU 81 4.295 -14.838 -0.216 485 HB3 LEU 81 HB3 LEU 81 2.882 -15.871 -0.296 486 HG LEU 81 HG LEU 81 2.964 -12.848 -0.330 487 HD11 LEU 81 HD11 LEU 81 1.508 -13.523 -2.468 488 HD12 LEU 81 HD12 LEU 81 3.284 -13.400 -2.507 489 HD13 LEU 81 HD13 LEU 81 2.505 -14.992 -2.340 490 HD21 LEU 81 HD21 LEU 81 1.077 -13.109 0.951 491 HD22 LEU 81 HD22 LEU 81 0.387 -13.220 -0.686 492 HD23 LEU 81 HD23 LEU 81 0.685 -14.700 0.256 493 H GLY 82 H GLY 82 5.310 -15.950 2.796 494 HA2 GLY 82 HA2 GLY 82 5.968 -18.080 3.302 495 HA3 GLY 82 HA3 GLY 82 4.581 -17.943 4.363 496 H ALA 83 H ALA 83 4.796 -18.257 0.750 497 HA ALA 83 HA ALA 83 3.276 -20.759 1.022 498 HB1 ALA 83 HB1 ALA 83 2.906 -19.072 -1.411 499 HB2 ALA 83 HB2 ALA 83 1.728 -20.057 -0.511 500 HB3 ALA 83 HB3 ALA 83 2.197 -18.452 0.100 501 H GLU 84 H GLU 84 4.066 -22.495 -0.127 502 HA GLU 84 HA GLU 84 6.001 -21.931 -2.195 503 HB2 GLU 84 HB2 GLU 84 6.598 -23.273 0.418 504 HB3 GLU 84 HB3 GLU 84 7.310 -23.995 -1.011 505 HG2 GLU 84 HG2 GLU 84 8.963 -22.439 -0.510 506 HG3 GLU 84 HG3 GLU 84 7.972 -21.467 -1.580 507 HE2 GLU 84 HE2 GLU 84 8.023 -22.399 1.707 508 H GLU 85 H GLU 85 3.145 -23.074 -1.713 509 HA GLU 85 HA GLU 85 2.960 -24.728 -3.766 510 HB2 GLU 85 HB2 GLU 85 2.875 -27.056 -2.676 511 HB3 GLU 85 HB3 GLU 85 4.467 -26.381 -2.959 512 HG2 GLU 85 HG2 GLU 85 4.636 -27.146 -0.736 513 HG3 GLU 85 HG3 GLU 85 4.285 -25.443 -0.518 514 HE2 GLU 85 HE2 GLU 85 3.354 -25.759 1.342 515 H CYS 86 H CYS 86 0.809 -25.700 -3.960 516 HA CYS 86 HA CYS 86 -0.960 -24.718 -1.848 517 HB2 CYS 86 HB2 CYS 86 -2.710 -24.593 -3.514 518 HB3 CYS 86 HB3 CYS 86 -1.304 -23.717 -4.085 519 H PHE 87 H PHE 87 -2.090 -26.234 -0.652 520 HA PHE 87 HA PHE 87 -1.638 -29.011 -1.317 521 HB2 PHE 87 HB2 PHE 87 -1.567 -27.678 1.010 522 HB3 PHE 87 HB3 PHE 87 -3.310 -27.849 0.965 523 HD1 PHE 87 HD2 PHE 87 -0.130 -29.667 1.231 524 HD2 PHE 87 HD1 PHE 87 -4.360 -29.975 1.366 525 HE1 PHE 87 HE2 PHE 87 0.069 -31.958 2.237 526 HE2 PHE 87 HE1 PHE 87 -4.161 -32.265 2.372 527 HZ PHE 87 HZ PHE 87 -1.949 -33.230 2.796 528 H SER 88 H SER 88 -3.961 -26.615 -2.032 529 HA SER 88 HA SER 88 -6.306 -28.061 -1.711 530 HB2 SER 88 HB2 SER 88 -6.177 -25.597 -2.097 531 HB3 SER 88 HB3 SER 88 -5.644 -25.882 -3.742 532 HG SER 88 HG SER 88 -8.049 -27.173 -2.954 533 H CYS 89 H CYS 89 -3.919 -27.808 -4.396 534 HA CYS 89 HA CYS 89 -5.402 -29.156 -6.314 535 HB2 CYS 89 HB2 CYS 89 -2.530 -28.480 -5.914 536 HB3 CYS 89 HB3 CYS 89 -2.871 -29.786 -7.032 537 H ASP 90 H ASP 90 -3.990 -30.187 -3.322 538 HA ASP 90 HA ASP 90 -4.057 -32.951 -4.238 539 HB2 ASP 90 HB2 ASP 90 -1.906 -31.967 -3.209 540 HB3 ASP 90 HB3 ASP 90 -2.776 -31.866 -1.691 541 HD2 ASP 90 HD2 ASP 90 -3.756 -34.990 -1.859 542 H PHE 91 H PHE 91 -5.693 -30.508 -2.484 543 HA PHE 91 HA PHE 91 -6.714 -32.165 -0.383 544 HB2 PHE 91 HB2 PHE 91 -6.318 -29.592 -0.434 545 HB3 PHE 91 HB3 PHE 91 -7.684 -29.480 -1.526 546 HD1 PHE 91 HD2 PHE 91 -9.957 -29.882 -0.722 547 HD2 PHE 91 HD1 PHE 91 -6.642 -30.057 1.921 548 HE1 PHE 91 HE2 PHE 91 -11.516 -29.747 1.241 549 HE2 PHE 91 HE1 PHE 91 -8.201 -29.922 3.884 550 HZ PHE 91 HZ PHE 91 -10.619 -29.769 3.521 551 H ASP 92 H ASP 92 -8.608 -33.329 -0.338 552 HA ASP 92 HA ASP 92 -10.463 -32.860 -2.515 553 HB2 ASP 92 HB2 ASP 92 -9.225 -35.524 -1.710 554 HB3 ASP 92 HB3 ASP 92 -10.743 -35.447 -2.581 555 HD2 ASP 92 HD2 ASP 92 -7.993 -35.936 -4.873 Start of MODEL 18 1 H SER 16 H SER 16 -2.747 -1.236 -6.102 2 HA SER 16 HA SER 16 -1.891 -3.934 -5.695 3 HB2 SER 16 HB2 SER 16 -0.506 -3.813 -7.891 4 HB3 SER 16 HB3 SER 16 -2.205 -4.224 -8.014 5 HG SER 16 HG SER 16 -1.621 -2.612 -9.580 6 H GLU 17 H GLU 17 0.360 -4.034 -5.096 7 HA GLU 17 HA GLU 17 1.468 -1.386 -4.615 8 HB2 GLU 17 HB2 GLU 17 1.743 -4.046 -3.192 9 HB3 GLU 17 HB3 GLU 17 2.966 -2.810 -2.979 10 HG2 GLU 17 HG2 GLU 17 1.396 -1.252 -2.042 11 HG3 GLU 17 HG3 GLU 17 0.016 -2.165 -2.619 12 HE2 GLU 17 HE2 GLU 17 -0.149 -4.277 -1.741 13 H ALA 18 H ALA 18 3.832 -1.084 -4.902 14 HA ALA 18 HA ALA 18 4.727 -1.891 -7.364 15 HB1 ALA 18 HB1 ALA 18 5.560 -0.200 -5.337 16 HB2 ALA 18 HB2 ALA 18 6.855 -1.421 -5.379 17 HB3 ALA 18 HB3 ALA 18 6.444 -0.509 -6.851 18 H VAL 19 H VAL 19 5.532 -3.273 -4.105 19 HA VAL 19 HA VAL 19 7.264 -5.230 -5.000 20 HB VAL 19 HB VAL 19 7.005 -4.567 -2.681 21 HG11 VAL 19 HG11 VAL 19 4.401 -6.098 -2.547 22 HG12 VAL 19 HG12 VAL 19 5.108 -4.986 -1.350 23 HG13 VAL 19 HG13 VAL 19 4.451 -4.349 -2.877 24 HG21 VAL 19 HG21 VAL 19 6.504 -7.481 -3.322 25 HG22 VAL 19 HG22 VAL 19 8.040 -6.675 -2.925 26 HG23 VAL 19 HG23 VAL 19 6.807 -6.911 -1.663 27 H TYR 20 H TYR 20 3.690 -5.456 -4.371 28 HA TYR 20 HA TYR 20 3.344 -8.067 -5.129 29 HB2 TYR 20 HB2 TYR 20 1.803 -5.455 -5.129 30 HB3 TYR 20 HB3 TYR 20 1.066 -6.772 -6.020 31 HD1 TYR 20 HD1 TYR 20 3.070 -7.792 -3.184 32 HD2 TYR 20 HD2 TYR 20 -0.836 -6.511 -4.370 33 HE1 TYR 20 HE1 TYR 20 2.104 -8.715 -1.022 34 HE2 TYR 20 HE2 TYR 20 -1.790 -7.439 -2.203 35 HH TYR 20 HH TYR 20 -0.253 -9.596 -0.337 36 H ILE 21 H ILE 21 3.959 -5.208 -7.139 37 HA ILE 21 HA ILE 21 3.017 -6.377 -9.548 38 HB ILE 21 HB ILE 21 4.147 -3.882 -8.641 39 HG12 ILE 21 HG12 ILE 21 1.881 -4.198 -9.548 40 HG13 ILE 21 HG13 ILE 21 2.783 -2.974 -10.419 41 HG21 ILE 21 HG21 ILE 21 5.227 -4.997 -11.239 42 HG22 ILE 21 HG22 ILE 21 5.238 -3.271 -10.806 43 HG23 ILE 21 HG23 ILE 21 6.150 -4.441 -9.822 44 HD11 ILE 21 HD11 ILE 21 1.544 -5.322 -11.480 45 HD12 ILE 21 HD12 ILE 21 2.504 -4.106 -12.357 46 HD13 ILE 21 HD13 ILE 21 3.302 -5.536 -11.659 47 H ALA 22 H ALA 22 6.318 -5.844 -8.131 48 HA ALA 22 HA ALA 22 7.791 -7.001 -10.115 49 HB1 ALA 22 HB1 ALA 22 8.132 -6.145 -7.417 50 HB2 ALA 22 HB2 ALA 22 8.850 -7.768 -7.547 51 HB3 ALA 22 HB3 ALA 22 9.390 -6.466 -8.633 52 H ILE 23 H ILE 23 6.148 -8.604 -7.312 53 HA ILE 23 HA ILE 23 7.022 -11.187 -8.032 54 HB ILE 23 HB ILE 23 5.788 -11.928 -6.248 55 HG12 ILE 23 HG12 ILE 23 3.898 -9.583 -6.248 56 HG13 ILE 23 HG13 ILE 23 3.618 -10.951 -7.307 57 HG21 ILE 23 HG21 ILE 23 6.719 -10.700 -4.641 58 HG22 ILE 23 HG22 ILE 23 7.248 -9.593 -5.930 59 HG23 ILE 23 HG23 ILE 23 5.737 -9.273 -5.046 60 HD11 ILE 23 HD11 ILE 23 3.743 -12.486 -5.315 61 HD12 ILE 23 HD12 ILE 23 3.913 -11.055 -4.271 62 HD13 ILE 23 HD13 ILE 23 2.417 -11.304 -5.203 63 H GLU 24 H GLU 24 4.245 -9.131 -8.925 64 HA GLU 24 HA GLU 24 2.801 -11.232 -10.107 65 HB2 GLU 24 HB2 GLU 24 2.649 -8.215 -10.160 66 HB3 GLU 24 HB3 GLU 24 1.687 -9.134 -11.300 67 HG2 GLU 24 HG2 GLU 24 0.479 -10.257 -9.557 68 HG3 GLU 24 HG3 GLU 24 1.655 -9.812 -8.336 69 HE2 GLU 24 HE2 GLU 24 -1.298 -8.615 -9.744 70 H ALA 25 H ALA 25 5.625 -9.459 -11.024 71 HA ALA 25 HA ALA 25 5.271 -9.410 -13.812 72 HB1 ALA 25 HB1 ALA 25 7.432 -8.595 -13.836 73 HB2 ALA 25 HB2 ALA 25 7.013 -8.280 -12.135 74 HB3 ALA 25 HB3 ALA 25 7.983 -9.709 -12.562 75 H GLY 26 H GLY 26 6.110 -11.934 -11.486 76 HA2 GLY 26 HA2 GLY 26 5.582 -14.168 -12.540 77 HA3 GLY 26 HA3 GLY 26 6.810 -13.743 -13.715 78 H THR 27 H THR 27 6.938 -12.866 -10.233 79 HA THR 27 HA THR 27 9.397 -14.445 -10.035 80 HB THR 27 HB THR 27 8.470 -11.835 -9.126 81 HG1 THR 27 HG1 THR 27 10.714 -11.677 -9.219 82 HG21 THR 27 HG21 THR 27 8.026 -12.660 -6.916 83 HG22 THR 27 HG22 THR 27 9.332 -13.865 -7.020 84 HG23 THR 27 HG23 THR 27 9.727 -12.138 -6.850 85 H LEU 28 H LEU 28 6.067 -14.244 -8.874 86 HA LEU 28 HA LEU 28 6.663 -16.572 -7.183 87 HB2 LEU 28 HB2 LEU 28 4.738 -14.299 -6.690 88 HB3 LEU 28 HB3 LEU 28 4.728 -15.800 -5.786 89 HG LEU 28 HG LEU 28 6.774 -13.598 -5.778 90 HD11 LEU 28 HD11 LEU 28 5.164 -15.058 -3.679 91 HD12 LEU 28 HD12 LEU 28 6.538 -13.998 -3.282 92 HD13 LEU 28 HD13 LEU 28 5.115 -13.335 -4.120 93 HD21 LEU 28 HD21 LEU 28 7.275 -16.503 -5.351 94 HD22 LEU 28 HD22 LEU 28 8.350 -15.226 -5.968 95 HD23 LEU 28 HD23 LEU 28 8.033 -15.355 -4.221 96 H ALA 29 H ALA 29 4.544 -17.905 -6.809 97 HA ALA 29 HA ALA 29 2.765 -17.782 -9.096 98 HB1 ALA 29 HB1 ALA 29 4.626 -19.155 -9.915 99 HB2 ALA 29 HB2 ALA 29 4.520 -20.191 -8.472 100 HB3 ALA 29 HB3 ALA 29 3.186 -20.168 -9.650 101 H GLU 30 H GLU 30 0.708 -18.512 -8.577 102 HA GLU 30 HA GLU 30 0.414 -20.111 -6.210 103 HB2 GLU 30 HB2 GLU 30 -1.337 -18.485 -5.292 104 HB3 GLU 30 HB3 GLU 30 0.334 -17.985 -5.129 105 HG2 GLU 30 HG2 GLU 30 -0.285 -16.048 -6.149 106 HG3 GLU 30 HG3 GLU 30 -0.342 -16.970 -7.638 107 HE2 GLU 30 HE2 GLU 30 -3.268 -17.731 -5.540 108 H CYS 31 H CYS 31 -1.570 -21.296 -6.188 109 HA CYS 31 HA CYS 31 -2.641 -21.860 -8.663 110 HB2 CYS 31 HB2 CYS 31 -2.819 -22.939 -6.117 111 HB3 CYS 31 HB3 CYS 31 -4.461 -22.407 -6.420 112 H GLU 32 H GLU 32 -4.383 -21.014 -9.836 113 HA GLU 32 HA GLU 32 -5.458 -18.557 -8.776 114 HB2 GLU 32 HB2 GLU 32 -4.497 -18.749 -11.124 115 HB3 GLU 32 HB3 GLU 32 -5.854 -19.777 -11.541 116 HG2 GLU 32 HG2 GLU 32 -6.150 -17.309 -12.122 117 HG3 GLU 32 HG3 GLU 32 -7.449 -18.010 -11.178 118 HE2 GLU 32 HE2 GLU 32 -7.199 -15.268 -9.328 119 H VAL 33 H VAL 33 -6.214 -21.781 -8.540 120 HA VAL 33 HA VAL 33 -9.101 -21.287 -8.728 121 HB VAL 33 HB VAL 33 -9.043 -23.147 -9.929 122 HG11 VAL 33 HG11 VAL 33 -6.683 -22.915 -10.408 123 HG12 VAL 33 HG12 VAL 33 -6.252 -23.659 -8.850 124 HG13 VAL 33 HG13 VAL 33 -7.048 -24.632 -10.110 125 HG21 VAL 33 HG21 VAL 33 -8.796 -25.318 -8.660 126 HG22 VAL 33 HG22 VAL 33 -8.338 -24.352 -7.238 127 HG23 VAL 33 HG23 VAL 33 -9.952 -24.158 -7.964 128 H HIS 34 H HIS 34 -6.478 -21.387 -6.581 129 HA HIS 34 HA HIS 34 -8.318 -22.026 -4.393 130 HB2 HIS 34 HB2 HIS 34 -5.375 -22.545 -4.142 131 HB3 HIS 34 HB3 HIS 34 -6.710 -23.251 -3.253 132 HD1 HIS 34 HD1 HIS 34 -6.050 -23.153 -7.038 133 HD2 HIS 34 HD2 HIS 34 -6.688 -25.893 -3.927 134 HE1 HIS 34 HE1 HIS 34 -6.110 -25.462 -8.121 135 H GLU 35 H GLU 35 -8.871 -19.963 -3.751 136 HA GLU 35 HA GLU 35 -6.981 -17.877 -3.805 137 HB2 GLU 35 HB2 GLU 35 -8.816 -16.652 -2.491 138 HB3 GLU 35 HB3 GLU 35 -9.262 -17.251 -4.076 139 HG2 GLU 35 HG2 GLU 35 -9.686 -19.207 -1.871 140 HG3 GLU 35 HG3 GLU 35 -10.666 -17.759 -1.744 141 HE2 GLU 35 HE2 GLU 35 -11.697 -17.289 -4.190 142 H GLY 36 H GLY 36 -5.402 -17.427 -2.332 143 HA2 GLY 36 HA2 GLY 36 -4.862 -16.960 -0.044 144 HA3 GLY 36 HA3 GLY 36 -5.820 -18.343 0.445 145 H THR 37 H THR 37 -4.782 -19.964 -1.943 146 HA THR 37 HA THR 37 -2.359 -20.858 -0.610 147 HB THR 37 HB THR 37 -3.359 -22.232 -3.061 148 HG1 THR 37 HG1 THR 37 -5.421 -21.768 -2.308 149 HG21 THR 37 HG21 THR 37 -3.049 -24.185 -1.757 150 HG22 THR 37 HG22 THR 37 -1.801 -23.106 -1.088 151 HG23 THR 37 HG23 THR 37 -3.345 -23.323 -0.228 152 H TYR 38 H TYR 38 -0.335 -20.428 -1.235 153 HA TYR 38 HA TYR 38 0.085 -19.647 -4.018 154 HB2 TYR 38 HB2 TYR 38 0.810 -18.174 -1.416 155 HB3 TYR 38 HB3 TYR 38 1.621 -17.808 -2.926 156 HD1 TYR 38 HD1 TYR 38 -1.814 -17.994 -1.442 157 HD2 TYR 38 HD2 TYR 38 0.748 -16.162 -4.336 158 HE1 TYR 38 HE1 TYR 38 -3.656 -16.346 -2.039 159 HE2 TYR 38 HE2 TYR 38 -1.102 -14.520 -4.924 160 HH TYR 38 HH TYR 38 -3.293 -13.632 -3.331 161 H PHE 39 H PHE 39 2.657 -19.268 -4.258 162 HA PHE 39 HA PHE 39 4.315 -20.734 -2.533 163 HB2 PHE 39 HB2 PHE 39 4.637 -22.729 -3.945 164 HB3 PHE 39 HB3 PHE 39 2.916 -22.573 -3.655 165 HD1 PHE 39 HD1 PHE 39 1.454 -21.621 -5.460 166 HD2 PHE 39 HD2 PHE 39 5.522 -22.617 -6.141 167 HE1 PHE 39 HE1 PHE 39 1.037 -21.634 -7.935 168 HE2 PHE 39 HE2 PHE 39 5.105 -22.630 -8.616 169 HZ PHE 39 HZ PHE 39 2.867 -22.138 -9.484 170 H SER 40 H SER 40 6.254 -19.738 -2.781 171 HA SER 40 HA SER 40 6.701 -18.340 -5.254 172 HB2 SER 40 HB2 SER 40 8.298 -18.400 -2.655 173 HB3 SER 40 HB3 SER 40 8.666 -17.368 -4.023 174 HG SER 40 HG SER 40 7.298 -16.462 -2.185 175 H ASP 41 H ASP 41 8.563 -18.687 -6.618 176 HA ASP 41 HA ASP 41 9.203 -21.147 -7.270 177 HB2 ASP 41 HB2 ASP 41 10.161 -18.620 -7.910 178 HB3 ASP 41 HB3 ASP 41 11.599 -19.379 -7.255 179 HD2 ASP 41 HD2 ASP 41 9.052 -20.026 -9.410 180 H SER 42 H SER 42 9.636 -22.729 -5.664 181 HA SER 42 HA SER 42 11.270 -22.163 -3.455 182 HB2 SER 42 HB2 SER 42 10.862 -25.004 -4.315 183 HB3 SER 42 HB3 SER 42 10.693 -24.287 -2.725 184 HG SER 42 HG SER 42 8.814 -24.412 -4.869 185 H GLY 43 H GLY 43 13.466 -22.667 -3.069 186 HA2 GLY 43 HA2 GLY 43 15.420 -23.925 -3.630 187 HA3 GLY 43 HA3 GLY 43 14.941 -23.892 -5.315 188 H ASP 44 H ASP 44 14.029 -20.993 -5.105 189 HA ASP 44 HA ASP 44 16.556 -19.694 -4.592 190 HB2 ASP 44 HB2 ASP 44 16.026 -20.455 -7.150 191 HB3 ASP 44 HB3 ASP 44 15.146 -18.940 -7.138 192 HD2 ASP 44 HD2 ASP 44 18.200 -17.190 -6.367 193 H ILE 45 H ILE 45 15.288 -18.736 -2.802 194 HA ILE 45 HA ILE 45 12.839 -17.403 -3.330 195 HB ILE 45 HB ILE 45 14.696 -17.725 -1.023 196 HG12 ILE 45 HG12 ILE 45 12.712 -19.254 -1.750 197 HG13 ILE 45 HG13 ILE 45 12.957 -18.882 -0.055 198 HG21 ILE 45 HG21 ILE 45 12.784 -16.182 0.113 199 HG22 ILE 45 HG22 ILE 45 14.373 -15.580 -0.418 200 HG23 ILE 45 HG23 ILE 45 12.949 -15.379 -1.467 201 HD11 ILE 45 HD11 ILE 45 11.053 -17.598 0.086 202 HD12 ILE 45 HD12 ILE 45 11.258 -16.933 -1.552 203 HD13 ILE 45 HD13 ILE 45 10.568 -18.559 -1.332 204 H SER 46 H SER 46 16.277 -16.561 -3.464 205 HA SER 46 HA SER 46 15.845 -13.783 -3.379 206 HB2 SER 46 HB2 SER 46 18.130 -15.622 -4.017 207 HB3 SER 46 HB3 SER 46 18.249 -13.979 -4.615 208 HG SER 46 HG SER 46 17.679 -14.659 -1.857 209 H GLU 47 H GLU 47 15.621 -16.288 -5.846 210 HA GLU 47 HA GLU 47 16.109 -14.776 -8.093 211 HB2 GLU 47 HB2 GLU 47 15.952 -17.188 -8.226 212 HB3 GLU 47 HB3 GLU 47 14.308 -17.184 -7.621 213 HG2 GLU 47 HG2 GLU 47 13.422 -16.300 -9.640 214 HG3 GLU 47 HG3 GLU 47 14.969 -15.657 -10.155 215 HE2 GLU 47 HE2 GLU 47 16.353 -18.593 -9.856 216 H ALA 48 H ALA 48 13.356 -14.853 -5.886 217 HA ALA 48 HA ALA 48 11.404 -13.832 -7.614 218 HB1 ALA 48 HB1 ALA 48 11.842 -14.023 -4.647 219 HB2 ALA 48 HB2 ALA 48 10.540 -12.969 -5.249 220 HB3 ALA 48 HB3 ALA 48 10.540 -14.703 -5.651 221 H GLU 49 H GLU 49 13.712 -12.221 -5.325 222 HA GLU 49 HA GLU 49 12.816 -9.655 -6.011 223 HB2 GLU 49 HB2 GLU 49 14.798 -8.881 -4.744 224 HB3 GLU 49 HB3 GLU 49 13.935 -10.132 -3.871 225 HG2 GLU 49 HG2 GLU 49 15.596 -11.753 -4.259 226 HG3 GLU 49 HG3 GLU 49 16.174 -10.970 -5.716 227 HE2 GLU 49 HE2 GLU 49 17.345 -9.418 -2.185 228 H GLU 50 H GLU 50 15.182 -11.916 -7.369 229 HA GLU 50 HA GLU 50 16.721 -10.077 -8.753 230 HB2 GLU 50 HB2 GLU 50 17.412 -12.410 -8.416 231 HB3 GLU 50 HB3 GLU 50 16.064 -12.989 -9.374 232 HG2 GLU 50 HG2 GLU 50 16.963 -12.030 -11.405 233 HG3 GLU 50 HG3 GLU 50 18.140 -11.078 -10.522 234 HE2 GLU 50 HE2 GLU 50 20.212 -13.630 -9.739 235 H LEU 51 H LEU 51 13.844 -12.034 -9.801 236 HA LEU 51 HA LEU 51 13.757 -10.807 -12.356 237 HB2 LEU 51 HB2 LEU 51 11.484 -12.230 -10.996 238 HB3 LEU 51 HB3 LEU 51 11.816 -12.086 -12.710 239 HG LEU 51 HG LEU 51 13.819 -13.501 -10.991 240 HD11 LEU 51 HD11 LEU 51 12.167 -14.799 -10.159 241 HD12 LEU 51 HD12 LEU 51 11.032 -14.399 -11.471 242 HD13 LEU 51 HD13 LEU 51 12.317 -15.602 -11.740 243 HD21 LEU 51 HD21 LEU 51 13.508 -13.016 -13.732 244 HD22 LEU 51 HD22 LEU 51 14.680 -14.102 -12.947 245 HD23 LEU 51 HD23 LEU 51 13.116 -14.738 -13.510 246 H ALA 52 H ALA 52 12.580 -10.002 -9.133 247 HA ALA 52 HA ALA 52 10.501 -8.280 -9.932 248 HB1 ALA 52 HB1 ALA 52 10.590 -9.159 -7.687 249 HB2 ALA 52 HB2 ALA 52 12.213 -8.478 -7.426 250 HB3 ALA 52 HB3 ALA 52 10.809 -7.396 -7.581 251 H ARG 53 H ARG 53 13.916 -7.624 -8.861 252 HA ARG 53 HA ARG 53 13.779 -4.924 -9.361 253 HB2 ARG 53 HB2 ARG 53 16.044 -4.917 -8.804 254 HB3 ARG 53 HB3 ARG 53 15.612 -6.499 -8.187 255 HG2 ARG 53 HG2 ARG 53 16.307 -7.501 -10.412 256 HG3 ARG 53 HG3 ARG 53 16.845 -5.913 -10.920 257 HD2 ARG 53 HD2 ARG 53 18.501 -5.826 -9.100 258 HD3 ARG 53 HD3 ARG 53 17.885 -7.315 -8.411 259 HE ARG 53 HE ARG 53 18.609 -7.814 -11.136 260 HH11 ARG 53 HH22 ARG 53 20.110 -7.106 -8.033 261 HH12 ARG 53 HH21 ARG 53 21.589 -7.921 -8.418 262 HH21 ARG 53 HH12 ARG 53 20.560 -8.889 -11.645 263 HH22 ARG 53 HH11 ARG 53 21.847 -8.942 -10.487 264 H GLU 54 H GLU 54 14.678 -7.720 -11.444 265 HA GLU 54 HA GLU 54 15.698 -6.236 -13.549 266 HB2 GLU 54 HB2 GLU 54 15.732 -8.819 -13.042 267 HB3 GLU 54 HB3 GLU 54 14.231 -8.857 -13.945 268 HG2 GLU 54 HG2 GLU 54 15.509 -7.556 -15.803 269 HG3 GLU 54 HG3 GLU 54 16.971 -7.968 -14.929 270 HE2 GLU 54 HE2 GLU 54 15.669 -9.943 -17.618 271 H LYS 55 H LYS 55 12.391 -7.671 -13.059 272 HA LYS 55 HA LYS 55 11.273 -6.682 -15.387 273 HB2 LYS 55 HB2 LYS 55 10.106 -7.435 -12.703 274 HB3 LYS 55 HB3 LYS 55 9.099 -6.900 -14.033 275 HG2 LYS 55 HG2 LYS 55 10.988 -9.298 -14.034 276 HG3 LYS 55 HG3 LYS 55 9.236 -9.349 -14.061 277 HD2 LYS 55 HD2 LYS 55 11.127 -8.461 -16.265 278 HD3 LYS 55 HD3 LYS 55 9.886 -9.696 -16.332 279 HE2 LYS 55 HE2 LYS 55 9.332 -6.708 -15.999 280 HE3 LYS 55 HE3 LYS 55 9.238 -7.568 -17.523 281 HZ1 LYS 55 HZ1 LYS 55 7.748 -9.004 -15.714 282 HZ2 LYS 55 HZ2 LYS 55 7.335 -7.441 -15.485 283 HZ3 LYS 55 HZ3 LYS 55 7.196 -8.114 -16.967 284 H PHE 56 H PHE 56 11.297 -5.240 -12.055 285 HA PHE 56 HA PHE 56 9.965 -2.906 -12.818 286 HB2 PHE 56 HB2 PHE 56 11.511 -4.071 -10.557 287 HB3 PHE 56 HB3 PHE 56 11.727 -2.334 -10.659 288 HD1 PHE 56 HD2 PHE 56 8.977 -1.611 -11.687 289 HD2 PHE 56 HD1 PHE 56 10.225 -4.238 -8.597 290 HE1 PHE 56 HE2 PHE 56 6.785 -1.270 -10.512 291 HE2 PHE 56 HE1 PHE 56 8.033 -3.897 -7.422 292 HZ PHE 56 HZ PHE 56 6.339 -2.417 -8.394 293 H GLU 57 H GLU 57 13.362 -3.929 -13.035 294 HA GLU 57 HA GLU 57 14.407 -1.342 -13.293 295 HB2 GLU 57 HB2 GLU 57 15.383 -4.143 -13.749 296 HB3 GLU 57 HB3 GLU 57 16.284 -2.855 -14.524 297 HG2 GLU 57 HG2 GLU 57 16.788 -1.789 -12.435 298 HG3 GLU 57 HG3 GLU 57 15.549 -2.685 -11.579 299 HE2 GLU 57 HE2 GLU 57 18.268 -4.506 -13.494 300 H LYS 58 H LYS 58 12.834 -3.618 -15.499 301 HA LYS 58 HA LYS 58 13.766 -2.240 -17.849 302 HB2 LYS 58 HB2 LYS 58 13.487 -4.616 -17.997 303 HB3 LYS 58 HB3 LYS 58 11.846 -4.535 -17.389 304 HG2 LYS 58 HG2 LYS 58 12.490 -2.921 -19.850 305 HG3 LYS 58 HG3 LYS 58 12.395 -4.661 -20.031 306 HD2 LYS 58 HD2 LYS 58 10.181 -3.336 -18.487 307 HD3 LYS 58 HD3 LYS 58 10.220 -3.049 -20.215 308 HE2 LYS 58 HE2 LYS 58 8.850 -5.084 -19.449 309 HE3 LYS 58 HE3 LYS 58 10.008 -5.383 -20.730 310 HZ1 LYS 58 HZ1 LYS 58 11.569 -6.073 -18.953 311 HZ2 LYS 58 HZ2 LYS 58 10.342 -5.989 -17.879 312 HZ3 LYS 58 HZ3 LYS 58 10.270 -7.049 -19.119 313 H GLY 59 H GLY 59 11.798 -1.281 -15.432 314 HA2 GLY 59 HA2 GLY 59 10.359 0.542 -17.155 315 HA3 GLY 59 HA3 GLY 59 9.341 -0.612 -16.318 316 H GLU 60 H GLU 60 11.501 2.177 -15.982 317 HA GLU 60 HA GLU 60 11.805 2.237 -13.273 318 HB2 GLU 60 HB2 GLU 60 12.999 3.773 -14.727 319 HB3 GLU 60 HB3 GLU 60 11.507 4.500 -15.288 320 HG2 GLU 60 HG2 GLU 60 11.070 5.513 -13.139 321 HG3 GLU 60 HG3 GLU 60 12.289 4.537 -12.345 322 HE2 GLU 60 HE2 GLU 60 13.463 6.249 -15.392 323 H VAL 61 H VAL 61 10.405 2.424 -11.577 324 HA VAL 61 HA VAL 61 7.641 2.994 -12.167 325 HB VAL 61 HB VAL 61 7.203 2.195 -10.001 326 HG11 VAL 61 HG11 VAL 61 8.722 0.092 -9.874 327 HG12 VAL 61 HG12 VAL 61 7.703 0.329 -11.314 328 HG13 VAL 61 HG13 VAL 61 9.440 0.713 -11.380 329 HG21 VAL 61 HG21 VAL 61 9.373 1.639 -8.536 330 HG22 VAL 61 HG22 VAL 61 10.010 3.038 -9.432 331 HG23 VAL 61 HG23 VAL 61 8.537 3.208 -8.447 332 H SER 62 H SER 62 6.504 4.440 -10.345 333 HA SER 62 HA SER 62 7.843 6.974 -10.592 334 HB2 SER 62 HB2 SER 62 5.069 6.313 -9.509 335 HB3 SER 62 HB3 SER 62 5.673 7.922 -9.852 336 HG SER 62 HG SER 62 5.078 5.801 -11.713 337 H ASN 63 H ASN 63 7.014 4.505 -8.192 338 HA ASN 63 HA ASN 63 7.698 6.313 -6.046 339 HB2 ASN 63 HB2 ASN 63 6.990 4.406 -4.570 340 HB3 ASN 63 HB3 ASN 63 5.733 4.849 -5.708 341 HD21 ASN 63 HD21 ASN 63 8.348 2.591 -5.038 342 HD22 ASN 63 HD22 ASN 63 7.765 1.263 -5.985 343 H PHE 64 H PHE 64 9.593 5.111 -8.191 344 HA PHE 64 HA PHE 64 11.119 3.059 -7.268 345 HB2 PHE 64 HB2 PHE 64 11.168 4.673 -9.401 346 HB3 PHE 64 HB3 PHE 64 12.277 5.636 -8.445 347 HD1 PHE 64 HD2 PHE 64 14.264 4.203 -7.359 348 HD2 PHE 64 HD1 PHE 64 12.078 3.112 -10.829 349 HE1 PHE 64 HE2 PHE 64 16.169 2.748 -8.102 350 HE2 PHE 64 HE1 PHE 64 13.984 1.657 -11.572 351 HZ PHE 64 HZ PHE 64 16.007 1.492 -10.199 352 H ASP 65 H ASP 65 11.703 2.862 -5.121 353 HA ASP 65 HA ASP 65 12.729 5.189 -3.789 354 HB2 ASP 65 HB2 ASP 65 11.197 3.202 -2.865 355 HB3 ASP 65 HB3 ASP 65 12.735 2.402 -2.610 356 HD2 ASP 65 HD2 ASP 65 13.987 5.033 -0.872 357 H ASP 66 H ASP 66 13.759 1.700 -4.153 358 HA ASP 66 HA ASP 66 16.294 2.417 -5.110 359 HB2 ASP 66 HB2 ASP 66 16.267 2.823 -2.468 360 HB3 ASP 66 HB3 ASP 66 16.426 1.080 -2.399 361 HD2 ASP 66 HD2 ASP 66 19.165 2.749 -1.761 362 H VAL 67 H VAL 67 17.524 0.419 -5.681 363 HA VAL 67 HA VAL 67 15.890 -1.718 -6.386 364 HB VAL 67 HB VAL 67 18.892 -1.723 -6.041 365 HG11 VAL 67 HG11 VAL 67 18.264 -3.913 -6.549 366 HG12 VAL 67 HG12 VAL 67 16.938 -3.394 -7.617 367 HG13 VAL 67 HG13 VAL 67 18.628 -3.220 -8.148 368 HG21 VAL 67 HG21 VAL 67 18.461 -1.165 -8.687 369 HG22 VAL 67 HG22 VAL 67 17.165 -0.226 -7.908 370 HG23 VAL 67 HG23 VAL 67 18.862 0.043 -7.443 371 H GLU 68 H GLU 68 18.443 -1.520 -3.802 372 HA GLU 68 HA GLU 68 18.094 -3.985 -2.765 373 HB2 GLU 68 HB2 GLU 68 19.882 -2.762 -1.871 374 HB3 GLU 68 HB3 GLU 68 18.910 -1.332 -1.588 375 HG2 GLU 68 HG2 GLU 68 17.858 -2.287 0.350 376 HG3 GLU 68 HG3 GLU 68 18.379 -3.909 -0.062 377 HE2 GLU 68 HE2 GLU 68 21.816 -2.864 0.777 378 H GLU 69 H GLU 69 15.996 -1.134 -2.448 379 HA GLU 69 HA GLU 69 14.535 -2.182 -0.270 380 HB2 GLU 69 HB2 GLU 69 14.801 0.298 -1.166 381 HB3 GLU 69 HB3 GLU 69 13.432 -0.112 -2.179 382 HG2 GLU 69 HG2 GLU 69 12.323 0.704 -0.295 383 HG3 GLU 69 HG3 GLU 69 12.371 -1.005 0.089 384 HE2 GLU 69 HE2 GLU 69 14.459 -1.409 1.949 385 H LEU 70 H LEU 70 13.963 -1.899 -3.841 386 HA LEU 70 HA LEU 70 11.451 -3.082 -3.848 387 HB2 LEU 70 HB2 LEU 70 13.612 -2.603 -5.842 388 HB3 LEU 70 HB3 LEU 70 12.332 -3.719 -6.274 389 HG LEU 70 HG LEU 70 12.289 -1.001 -6.645 390 HD11 LEU 70 HD11 LEU 70 10.738 -1.890 -7.976 391 HD12 LEU 70 HD12 LEU 70 10.430 -3.242 -6.860 392 HD13 LEU 70 HD13 LEU 70 9.608 -1.682 -6.616 393 HD21 LEU 70 HD21 LEU 70 10.379 -1.472 -4.356 394 HD22 LEU 70 HD22 LEU 70 12.010 -0.801 -4.117 395 HD23 LEU 70 HD23 LEU 70 10.834 0.062 -5.136 396 H VAL 71 H VAL 71 14.719 -4.564 -4.419 397 HA VAL 71 HA VAL 71 13.785 -7.166 -4.690 398 HB VAL 71 HB VAL 71 16.176 -7.710 -3.951 399 HG11 VAL 71 HG11 VAL 71 15.239 -7.301 -6.329 400 HG12 VAL 71 HG12 VAL 71 16.071 -5.731 -6.227 401 HG13 VAL 71 HG13 VAL 71 17.002 -7.242 -6.091 402 HG21 VAL 71 HG21 VAL 71 17.209 -5.078 -4.447 403 HG22 VAL 71 HG22 VAL 71 16.059 -5.003 -3.090 404 HG23 VAL 71 HG23 VAL 71 17.440 -6.125 -3.025 405 H LYS 72 H LYS 72 14.658 -5.217 -1.798 406 HA LYS 72 HA LYS 72 14.481 -7.377 0.006 407 HB2 LYS 72 HB2 LYS 72 15.757 -5.480 0.640 408 HB3 LYS 72 HB3 LYS 72 14.441 -4.372 0.310 409 HG2 LYS 72 HG2 LYS 72 14.637 -4.729 2.737 410 HG3 LYS 72 HG3 LYS 72 13.111 -5.375 2.167 411 HD2 LYS 72 HD2 LYS 72 13.804 -7.615 2.407 412 HD3 LYS 72 HD3 LYS 72 15.504 -7.218 2.264 413 HE2 LYS 72 HE2 LYS 72 15.300 -7.653 4.569 414 HE3 LYS 72 HE3 LYS 72 15.168 -5.907 4.519 415 HZ1 LYS 72 HZ1 LYS 72 12.641 -6.997 4.130 416 HZ2 LYS 72 HZ2 LYS 72 13.298 -7.716 5.441 417 HZ3 LYS 72 HZ3 LYS 72 13.169 -6.089 5.381 418 H LYS 73 H LYS 73 12.135 -5.176 -1.501 419 HA LYS 73 HA LYS 73 10.049 -5.795 0.335 420 HB2 LYS 73 HB2 LYS 73 10.213 -4.363 -2.313 421 HB3 LYS 73 HB3 LYS 73 8.663 -4.724 -1.581 422 HG2 LYS 73 HG2 LYS 73 10.911 -3.257 -0.125 423 HG3 LYS 73 HG3 LYS 73 9.621 -2.439 -0.984 424 HD2 LYS 73 HD2 LYS 73 9.359 -4.254 1.450 425 HD3 LYS 73 HD3 LYS 73 8.980 -2.546 1.353 426 HE2 LYS 73 HE2 LYS 73 7.485 -4.852 0.035 427 HE3 LYS 73 HE3 LYS 73 6.877 -3.745 1.250 428 HZ1 LYS 73 HZ1 LYS 73 7.599 -3.064 -1.514 429 HZ2 LYS 73 HZ2 LYS 73 6.099 -3.079 -0.868 430 HZ3 LYS 73 HZ3 LYS 73 7.185 -1.959 -0.385 431 H VAL 74 H VAL 74 11.392 -7.219 -2.615 432 HA VAL 74 HA VAL 74 9.112 -8.796 -3.216 433 HB VAL 74 HB VAL 74 12.025 -9.069 -3.985 434 HG11 VAL 74 HG11 VAL 74 10.942 -10.299 -5.990 435 HG12 VAL 74 HG12 VAL 74 11.105 -11.172 -4.447 436 HG13 VAL 74 HG13 VAL 74 9.531 -10.489 -4.922 437 HG21 VAL 74 HG21 VAL 74 10.439 -6.972 -4.590 438 HG22 VAL 74 HG22 VAL 74 11.689 -7.603 -5.689 439 HG23 VAL 74 HG23 VAL 74 9.988 -8.076 -5.911 440 H VAL 75 H VAL 75 12.335 -9.556 -1.709 441 HA VAL 75 HA VAL 75 11.683 -12.179 -1.051 442 HB VAL 75 HB VAL 75 13.650 -12.158 0.235 443 HG11 VAL 75 HG11 VAL 75 15.147 -11.614 -1.387 444 HG12 VAL 75 HG12 VAL 75 13.667 -11.370 -2.345 445 HG13 VAL 75 HG13 VAL 75 14.488 -9.975 -1.604 446 HG21 VAL 75 HG21 VAL 75 14.690 -9.700 0.618 447 HG22 VAL 75 HG22 VAL 75 12.957 -9.304 0.712 448 HG23 VAL 75 HG23 VAL 75 13.653 -10.519 1.811 449 H ALA 76 H ALA 76 11.035 -9.058 0.562 450 HA ALA 76 HA ALA 76 10.325 -10.089 3.060 451 HB1 ALA 76 HB1 ALA 76 9.056 -7.889 3.213 452 HB2 ALA 76 HB2 ALA 76 10.778 -7.747 2.787 453 HB3 ALA 76 HB3 ALA 76 9.533 -7.588 1.525 454 H VAL 77 H VAL 77 8.359 -9.340 0.106 455 HA VAL 77 HA VAL 77 5.943 -10.220 1.275 456 HB VAL 77 HB VAL 77 6.683 -8.791 -0.926 457 HG11 VAL 77 HG11 VAL 77 7.247 -10.940 -2.104 458 HG12 VAL 77 HG12 VAL 77 5.524 -11.377 -2.008 459 HG13 VAL 77 HG13 VAL 77 6.027 -9.940 -2.929 460 HG21 VAL 77 HG21 VAL 77 4.266 -9.646 0.367 461 HG22 VAL 77 HG22 VAL 77 4.569 -8.172 -0.585 462 HG23 VAL 77 HG23 VAL 77 4.016 -9.658 -1.396 463 H CYS 78 H CYS 78 8.601 -11.783 -0.524 464 HA CYS 78 HA CYS 78 7.309 -14.104 -1.250 465 HB2 CYS 78 HB2 CYS 78 9.322 -14.584 -2.080 466 HB3 CYS 78 HB3 CYS 78 9.928 -13.110 -1.351 467 HG CYS 78 HG CYS 78 11.600 -14.427 -0.246 468 H GLU 79 H GLU 79 9.073 -13.200 1.789 469 HA GLU 79 HA GLU 79 8.537 -15.699 2.989 470 HB2 GLU 79 HB2 GLU 79 10.205 -14.963 4.315 471 HB3 GLU 79 HB3 GLU 79 10.145 -13.395 3.534 472 HG2 GLU 79 HG2 GLU 79 8.344 -12.669 5.098 473 HG3 GLU 79 HG3 GLU 79 8.358 -14.246 5.862 474 HE2 GLU 79 HE2 GLU 79 11.641 -13.858 5.525 475 H GLU 80 H GLU 80 6.984 -12.483 2.912 476 HA GLU 80 HA GLU 80 5.292 -12.937 5.087 477 HB2 GLU 80 HB2 GLU 80 5.882 -10.704 3.978 478 HB3 GLU 80 HB3 GLU 80 4.750 -11.117 2.706 479 HG2 GLU 80 HG2 GLU 80 2.876 -10.989 4.135 480 HG3 GLU 80 HG3 GLU 80 3.822 -11.286 5.579 481 HE2 GLU 80 HE2 GLU 80 5.049 -8.026 5.751 482 H LEU 81 H LEU 81 5.359 -14.185 1.850 483 HA LEU 81 HA LEU 81 2.520 -14.657 1.719 484 HB2 LEU 81 HB2 LEU 81 3.954 -14.109 -0.248 485 HB3 LEU 81 HB3 LEU 81 4.743 -15.662 -0.061 486 HG LEU 81 HG LEU 81 2.280 -16.600 -0.229 487 HD11 LEU 81 HD11 LEU 81 2.035 -13.782 -1.175 488 HD12 LEU 81 HD12 LEU 81 1.175 -15.049 -2.082 489 HD13 LEU 81 HD13 LEU 81 0.855 -14.826 -0.345 490 HD21 LEU 81 HD21 LEU 81 3.347 -17.476 -1.970 491 HD22 LEU 81 HD22 LEU 81 2.782 -16.082 -2.921 492 HD23 LEU 81 HD23 LEU 81 4.385 -16.041 -2.149 493 H GLY 82 H GLY 82 5.347 -16.147 3.091 494 HA2 GLY 82 HA2 GLY 82 5.760 -18.294 3.769 495 HA3 GLY 82 HA3 GLY 82 4.275 -17.981 4.644 496 H ALA 83 H ALA 83 4.670 -18.376 1.075 497 HA ALA 83 HA ALA 83 3.152 -20.881 1.297 498 HB1 ALA 83 HB1 ALA 83 1.573 -20.166 -0.200 499 HB2 ALA 83 HB2 ALA 83 2.016 -18.573 0.458 500 HB3 ALA 83 HB3 ALA 83 2.720 -19.128 -1.079 501 H GLU 84 H GLU 84 3.928 -22.568 0.059 502 HA GLU 84 HA GLU 84 5.794 -21.931 -2.038 503 HB2 GLU 84 HB2 GLU 84 6.876 -22.412 0.413 504 HB3 GLU 84 HB3 GLU 84 6.742 -24.062 -0.160 505 HG2 GLU 84 HG2 GLU 84 8.746 -23.651 -1.181 506 HG3 GLU 84 HG3 GLU 84 7.777 -22.849 -2.402 507 HE2 GLU 84 HE2 GLU 84 10.234 -20.632 -1.769 508 H GLU 85 H GLU 85 3.010 -23.117 -1.596 509 HA GLU 85 HA GLU 85 3.047 -24.956 -3.578 510 HB2 GLU 85 HB2 GLU 85 4.227 -26.165 -1.375 511 HB3 GLU 85 HB3 GLU 85 2.562 -26.691 -1.224 512 HG2 GLU 85 HG2 GLU 85 2.586 -27.844 -3.273 513 HG3 GLU 85 HG3 GLU 85 3.854 -26.841 -3.948 514 HE2 GLU 85 HE2 GLU 85 4.994 -29.721 -1.365 515 H CYS 86 H CYS 86 0.886 -25.864 -3.981 516 HA CYS 86 HA CYS 86 -1.115 -24.473 -2.367 517 HB2 CYS 86 HB2 CYS 86 -1.126 -23.808 -4.706 518 HB3 CYS 86 HB3 CYS 86 -1.236 -25.477 -5.229 519 H PHE 87 H PHE 87 -0.990 -26.184 -0.694 520 HA PHE 87 HA PHE 87 -1.277 -28.881 -1.227 521 HB2 PHE 87 HB2 PHE 87 -0.694 -27.589 0.950 522 HB3 PHE 87 HB3 PHE 87 -2.402 -27.236 1.116 523 HD1 PHE 87 HD1 PHE 87 -0.394 -30.302 0.356 524 HD2 PHE 87 HD2 PHE 87 -3.428 -28.513 2.722 525 HE1 PHE 87 HE1 PHE 87 -0.724 -32.472 1.573 526 HE2 PHE 87 HE2 PHE 87 -3.758 -30.684 3.940 527 HZ PHE 87 HZ PHE 87 -2.402 -32.637 3.351 528 H SER 88 H SER 88 -3.663 -26.251 -1.166 529 HA SER 88 HA SER 88 -5.922 -27.766 -0.739 530 HB2 SER 88 HB2 SER 88 -7.089 -25.869 -1.989 531 HB3 SER 88 HB3 SER 88 -6.097 -25.383 -0.628 532 HG SER 88 HG SER 88 -5.161 -24.070 -2.039 533 H CYS 89 H CYS 89 -3.683 -27.847 -3.336 534 HA CYS 89 HA CYS 89 -5.258 -28.206 -5.551 535 HB2 CYS 89 HB2 CYS 89 -2.506 -28.937 -4.753 536 HB3 CYS 89 HB3 CYS 89 -3.187 -29.942 -6.016 537 H ASP 90 H ASP 90 -4.309 -30.466 -2.908 538 HA ASP 90 HA ASP 90 -5.684 -32.622 -4.194 539 HB2 ASP 90 HB2 ASP 90 -3.537 -32.690 -2.661 540 HB3 ASP 90 HB3 ASP 90 -4.673 -32.610 -1.329 541 HD2 ASP 90 HD2 ASP 90 -5.434 -35.776 -3.570 542 H PHE 91 H PHE 91 -6.439 -29.926 -2.218 543 HA PHE 91 HA PHE 91 -8.470 -31.221 -0.643 544 HB2 PHE 91 HB2 PHE 91 -7.011 -29.222 0.046 545 HB3 PHE 91 HB3 PHE 91 -7.786 -28.272 -1.206 546 HD1 PHE 91 HD1 PHE 91 -10.201 -27.698 -1.000 547 HD2 PHE 91 HD2 PHE 91 -8.081 -29.604 2.143 548 HE1 PHE 91 HE1 PHE 91 -12.004 -27.038 0.617 549 HE2 PHE 91 HE2 PHE 91 -9.884 -28.945 3.759 550 HZ PHE 91 HZ PHE 91 -11.824 -27.670 2.977 551 H ASP 92 H ASP 92 -10.521 -31.612 -1.320 552 HA ASP 92 HA ASP 92 -11.345 -30.904 -3.859 553 HB2 ASP 92 HB2 ASP 92 -13.671 -31.555 -2.910 554 HB3 ASP 92 HB3 ASP 92 -12.417 -32.779 -2.886 555 HD2 ASP 92 HD2 ASP 92 -14.609 -31.159 -0.915 Start of MODEL 19 1 H SER 16 H SER 16 2.588 1.503 -2.687 2 HA SER 16 HA SER 16 2.963 -0.191 -0.373 3 HB2 SER 16 HB2 SER 16 0.397 0.002 -0.272 4 HB3 SER 16 HB3 SER 16 1.310 1.468 0.022 5 HG SER 16 HG SER 16 -0.565 1.006 -1.888 6 H GLU 17 H GLU 17 1.407 -0.143 -3.643 7 HA GLU 17 HA GLU 17 1.082 -3.023 -3.400 8 HB2 GLU 17 HB2 GLU 17 -0.354 -2.630 -5.546 9 HB3 GLU 17 HB3 GLU 17 -1.007 -2.131 -3.998 10 HG2 GLU 17 HG2 GLU 17 -0.416 0.192 -4.393 11 HG3 GLU 17 HG3 GLU 17 0.562 -0.224 -5.786 12 HE2 GLU 17 HE2 GLU 17 -1.896 1.365 -5.414 13 H ALA 18 H ALA 18 3.127 -0.614 -4.698 14 HA ALA 18 HA ALA 18 3.768 -1.518 -7.207 15 HB1 ALA 18 HB1 ALA 18 5.925 -0.400 -6.816 16 HB2 ALA 18 HB2 ALA 18 4.589 0.566 -6.146 17 HB3 ALA 18 HB3 ALA 18 5.619 -0.399 -5.062 18 H VAL 19 H VAL 19 5.158 -2.546 -4.014 19 HA VAL 19 HA VAL 19 6.947 -4.393 -5.010 20 HB VAL 19 HB VAL 19 7.008 -3.642 -2.745 21 HG11 VAL 19 HG11 VAL 19 4.341 -3.618 -2.709 22 HG12 VAL 19 HG12 VAL 19 4.590 -5.188 -1.909 23 HG13 VAL 19 HG13 VAL 19 5.305 -3.713 -1.216 24 HG21 VAL 19 HG21 VAL 19 7.978 -5.812 -3.049 25 HG22 VAL 19 HG22 VAL 19 7.075 -5.840 -1.515 26 HG23 VAL 19 HG23 VAL 19 6.385 -6.602 -2.968 27 H TYR 20 H TYR 20 3.553 -4.955 -3.830 28 HA TYR 20 HA TYR 20 3.379 -7.621 -4.368 29 HB2 TYR 20 HB2 TYR 20 1.598 -5.175 -4.331 30 HB3 TYR 20 HB3 TYR 20 0.892 -6.595 -5.077 31 HD1 TYR 20 HD1 TYR 20 2.098 -8.741 -3.336 32 HD2 TYR 20 HD2 TYR 20 0.347 -4.965 -2.346 33 HE1 TYR 20 HE1 TYR 20 1.466 -9.629 -1.039 34 HE2 TYR 20 HE2 TYR 20 -0.279 -5.865 -0.052 35 HH TYR 20 HH TYR 20 0.454 -9.231 0.825 36 H ILE 21 H ILE 21 3.341 -4.887 -6.655 37 HA ILE 21 HA ILE 21 2.354 -6.468 -8.819 38 HB ILE 21 HB ILE 21 3.087 -3.693 -8.294 39 HG12 ILE 21 HG12 ILE 21 0.783 -4.574 -8.613 40 HG13 ILE 21 HG13 ILE 21 1.186 -3.241 -9.677 41 HG21 ILE 21 HG21 ILE 21 3.724 -4.884 -11.004 42 HG22 ILE 21 HG22 ILE 21 3.535 -3.145 -10.680 43 HG23 ILE 21 HG23 ILE 21 4.843 -4.059 -9.893 44 HD11 ILE 21 HD11 ILE 21 1.770 -4.933 -11.479 45 HD12 ILE 21 HD12 ILE 21 1.150 -6.204 -10.398 46 HD13 ILE 21 HD13 ILE 21 0.055 -4.936 -11.000 47 H ALA 22 H ALA 22 5.514 -5.627 -7.414 48 HA ALA 22 HA ALA 22 7.024 -6.470 -9.662 49 HB1 ALA 22 HB1 ALA 22 7.652 -5.984 -6.729 50 HB2 ALA 22 HB2 ALA 22 8.887 -6.452 -7.922 51 HB3 ALA 22 HB3 ALA 22 7.998 -4.922 -8.115 52 H ILE 23 H ILE 23 5.976 -7.999 -6.556 53 HA ILE 23 HA ILE 23 7.317 -10.431 -7.088 54 HB ILE 23 HB ILE 23 6.960 -10.192 -4.875 55 HG12 ILE 23 HG12 ILE 23 5.526 -12.222 -6.022 56 HG13 ILE 23 HG13 ILE 23 5.850 -12.050 -4.308 57 HG21 ILE 23 HG21 ILE 23 5.807 -8.214 -4.637 58 HG22 ILE 23 HG22 ILE 23 4.446 -8.753 -5.650 59 HG23 ILE 23 HG23 ILE 23 4.629 -9.384 -3.996 60 HD11 ILE 23 HD11 ILE 23 3.370 -12.371 -5.093 61 HD12 ILE 23 HD12 ILE 23 3.714 -11.141 -3.852 62 HD13 ILE 23 HD13 ILE 23 3.459 -10.651 -5.544 63 H GLU 24 H GLU 24 4.139 -9.059 -7.921 64 HA GLU 24 HA GLU 24 3.218 -11.613 -8.842 65 HB2 GLU 24 HB2 GLU 24 1.116 -10.625 -9.017 66 HB3 GLU 24 HB3 GLU 24 1.835 -9.640 -7.758 67 HG2 GLU 24 HG2 GLU 24 1.066 -7.952 -9.155 68 HG3 GLU 24 HG3 GLU 24 2.670 -8.163 -9.830 69 HE2 GLU 24 HE2 GLU 24 2.570 -8.250 -11.909 70 H ALA 25 H ALA 25 5.141 -9.024 -10.024 71 HA ALA 25 HA ALA 25 4.355 -8.800 -12.661 72 HB1 ALA 25 HB1 ALA 25 5.986 -7.327 -11.597 73 HB2 ALA 25 HB2 ALA 25 7.121 -8.682 -11.393 74 HB3 ALA 25 HB3 ALA 25 6.722 -8.093 -13.025 75 H GLY 26 H GLY 26 5.953 -11.435 -10.932 76 HA2 GLY 26 HA2 GLY 26 5.475 -13.523 -12.393 77 HA3 GLY 26 HA3 GLY 26 6.637 -12.764 -13.461 78 H THR 27 H THR 27 6.622 -12.706 -9.849 79 HA THR 27 HA THR 27 9.310 -13.858 -9.925 80 HB THR 27 HB THR 27 7.684 -12.195 -7.958 81 HG1 THR 27 HG1 THR 27 8.936 -10.986 -9.420 82 HG21 THR 27 HG21 THR 27 9.137 -12.633 -6.208 83 HG22 THR 27 HG22 THR 27 9.320 -14.205 -7.021 84 HG23 THR 27 HG23 THR 27 10.513 -12.915 -7.301 85 H LEU 28 H LEU 28 6.101 -14.321 -8.326 86 HA LEU 28 HA LEU 28 6.963 -17.087 -7.840 87 HB2 LEU 28 HB2 LEU 28 5.094 -16.708 -5.938 88 HB3 LEU 28 HB3 LEU 28 6.822 -16.553 -5.689 89 HG LEU 28 HG LEU 28 5.235 -14.143 -6.520 90 HD11 LEU 28 HD11 LEU 28 5.390 -13.989 -3.745 91 HD12 LEU 28 HD12 LEU 28 3.928 -14.258 -4.724 92 HD13 LEU 28 HD13 LEU 28 4.826 -15.646 -4.067 93 HD21 LEU 28 HD21 LEU 28 7.928 -14.706 -5.675 94 HD22 LEU 28 HD22 LEU 28 7.226 -13.193 -6.296 95 HD23 LEU 28 HD23 LEU 28 7.165 -13.553 -4.554 96 H ALA 29 H ALA 29 4.801 -18.462 -7.377 97 HA ALA 29 HA ALA 29 2.791 -17.620 -9.339 98 HB1 ALA 29 HB1 ALA 29 2.742 -20.140 -9.956 99 HB2 ALA 29 HB2 ALA 29 4.073 -19.149 -10.600 100 HB3 ALA 29 HB3 ALA 29 4.351 -20.212 -9.199 101 H GLU 30 H GLU 30 0.654 -18.507 -8.940 102 HA GLU 30 HA GLU 30 0.339 -20.002 -6.514 103 HB2 GLU 30 HB2 GLU 30 -1.270 -18.365 -5.528 104 HB3 GLU 30 HB3 GLU 30 0.361 -17.732 -5.617 105 HG2 GLU 30 HG2 GLU 30 -1.751 -17.197 -7.755 106 HG3 GLU 30 HG3 GLU 30 -1.481 -16.132 -6.390 107 HE2 GLU 30 HE2 GLU 30 1.672 -15.626 -6.836 108 H CYS 31 H CYS 31 -1.651 -21.165 -6.457 109 HA CYS 31 HA CYS 31 -2.749 -21.776 -8.908 110 HB2 CYS 31 HB2 CYS 31 -2.929 -22.778 -6.326 111 HB3 CYS 31 HB3 CYS 31 -4.566 -22.243 -6.649 112 H GLU 32 H GLU 32 -4.251 -20.724 -10.178 113 HA GLU 32 HA GLU 32 -5.382 -18.317 -9.114 114 HB2 GLU 32 HB2 GLU 32 -4.365 -18.766 -11.511 115 HB3 GLU 32 HB3 GLU 32 -5.953 -19.409 -11.879 116 HG2 GLU 32 HG2 GLU 32 -6.933 -17.209 -10.970 117 HG3 GLU 32 HG3 GLU 32 -5.294 -16.591 -10.915 118 HE2 GLU 32 HE2 GLU 32 -5.497 -15.337 -13.726 119 H VAL 33 H VAL 33 -6.207 -21.517 -8.881 120 HA VAL 33 HA VAL 33 -9.078 -20.977 -9.166 121 HB VAL 33 HB VAL 33 -9.004 -22.854 -10.342 122 HG11 VAL 33 HG11 VAL 33 -7.034 -24.384 -10.415 123 HG12 VAL 33 HG12 VAL 33 -6.623 -22.681 -10.729 124 HG13 VAL 33 HG13 VAL 33 -6.270 -23.403 -9.141 125 HG21 VAL 33 HG21 VAL 33 -8.776 -25.017 -8.989 126 HG22 VAL 33 HG22 VAL 33 -8.498 -23.970 -7.577 127 HG23 VAL 33 HG23 VAL 33 -10.032 -23.865 -8.473 128 H HIS 34 H HIS 34 -6.528 -21.090 -6.932 129 HA HIS 34 HA HIS 34 -8.459 -21.613 -4.795 130 HB2 HIS 34 HB2 HIS 34 -5.569 -22.315 -4.430 131 HB3 HIS 34 HB3 HIS 34 -6.981 -22.933 -3.596 132 HD1 HIS 34 HD1 HIS 34 -6.144 -22.904 -7.348 133 HD2 HIS 34 HD2 HIS 34 -7.100 -25.575 -4.258 134 HE1 HIS 34 HE1 HIS 34 -6.301 -25.213 -8.422 135 H GLU 35 H GLU 35 -8.894 -19.498 -4.223 136 HA GLU 35 HA GLU 35 -6.861 -17.551 -4.233 137 HB2 GLU 35 HB2 GLU 35 -8.555 -16.040 -3.493 138 HB3 GLU 35 HB3 GLU 35 -9.374 -17.179 -4.543 139 HG2 GLU 35 HG2 GLU 35 -9.900 -18.533 -2.379 140 HG3 GLU 35 HG3 GLU 35 -9.398 -17.103 -1.500 141 HE2 GLU 35 HE2 GLU 35 -11.710 -15.511 -3.908 142 H GLY 36 H GLY 36 -5.356 -17.097 -2.678 143 HA2 GLY 36 HA2 GLY 36 -4.913 -16.643 -0.366 144 HA3 GLY 36 HA3 GLY 36 -5.923 -18.005 0.076 145 H THR 37 H THR 37 -4.751 -19.557 -2.356 146 HA THR 37 HA THR 37 -2.420 -20.526 -0.891 147 HB THR 37 HB THR 37 -2.969 -22.140 -3.160 148 HG1 THR 37 HG1 THR 37 -5.422 -21.628 -1.732 149 HG21 THR 37 HG21 THR 37 -2.556 -23.205 -1.029 150 HG22 THR 37 HG22 THR 37 -3.856 -22.279 -0.240 151 HG23 THR 37 HG23 THR 37 -4.259 -23.558 -1.411 152 H TYR 38 H TYR 38 -0.355 -20.234 -1.494 153 HA TYR 38 HA TYR 38 0.131 -19.363 -4.243 154 HB2 TYR 38 HB2 TYR 38 0.844 -18.057 -1.560 155 HB3 TYR 38 HB3 TYR 38 1.824 -17.733 -2.976 156 HD1 TYR 38 HD1 TYR 38 -1.625 -17.435 -1.608 157 HD2 TYR 38 HD2 TYR 38 1.141 -16.145 -4.606 158 HE1 TYR 38 HE1 TYR 38 -3.232 -15.594 -2.310 159 HE2 TYR 38 HE2 TYR 38 -0.475 -14.308 -5.297 160 HH TYR 38 HH TYR 38 -3.362 -14.225 -4.942 161 H PHE 39 H PHE 39 2.692 -19.195 -4.524 162 HA PHE 39 HA PHE 39 4.284 -20.794 -2.861 163 HB2 PHE 39 HB2 PHE 39 4.389 -22.816 -4.221 164 HB3 PHE 39 HB3 PHE 39 2.680 -22.484 -4.015 165 HD1 PHE 39 HD2 PHE 39 1.332 -21.689 -5.884 166 HD2 PHE 39 HD1 PHE 39 5.460 -22.536 -6.382 167 HE1 PHE 39 HE2 PHE 39 1.032 -21.684 -8.376 168 HE2 PHE 39 HE1 PHE 39 5.160 -22.531 -8.874 169 HZ PHE 39 HZ PHE 39 2.950 -22.105 -9.841 170 H SER 40 H SER 40 6.172 -19.701 -3.110 171 HA SER 40 HA SER 40 6.707 -18.553 -5.702 172 HB2 SER 40 HB2 SER 40 8.411 -17.240 -4.570 173 HB3 SER 40 HB3 SER 40 6.944 -17.183 -3.614 174 HG SER 40 HG SER 40 9.433 -18.411 -3.044 175 H ASP 41 H ASP 41 8.834 -18.863 -6.765 176 HA ASP 41 HA ASP 41 9.522 -21.366 -7.222 177 HB2 ASP 41 HB2 ASP 41 10.561 -18.874 -7.868 178 HB3 ASP 41 HB3 ASP 41 11.903 -19.591 -6.998 179 HD2 ASP 41 HD2 ASP 41 12.265 -21.958 -7.871 180 H SER 42 H SER 42 9.620 -22.779 -5.379 181 HA SER 42 HA SER 42 11.118 -22.084 -3.103 182 HB2 SER 42 HB2 SER 42 10.619 -24.383 -2.356 183 HB3 SER 42 HB3 SER 42 9.183 -23.614 -3.000 184 HG SER 42 HG SER 42 9.463 -25.811 -3.783 185 H GLY 43 H GLY 43 13.221 -22.729 -2.478 186 HA2 GLY 43 HA2 GLY 43 15.082 -24.208 -2.729 187 HA3 GLY 43 HA3 GLY 43 14.734 -24.333 -4.442 188 H ASP 44 H ASP 44 14.106 -21.391 -4.705 189 HA ASP 44 HA ASP 44 16.656 -20.214 -4.056 190 HB2 ASP 44 HB2 ASP 44 15.529 -20.232 -6.895 191 HB3 ASP 44 HB3 ASP 44 16.988 -19.407 -6.383 192 HD2 ASP 44 HD2 ASP 44 17.286 -21.778 -8.405 193 H ILE 45 H ILE 45 15.195 -18.946 -2.617 194 HA ILE 45 HA ILE 45 13.019 -17.501 -3.750 195 HB ILE 45 HB ILE 45 12.898 -16.459 -1.537 196 HG12 ILE 45 HG12 ILE 45 15.045 -18.170 -0.411 197 HG13 ILE 45 HG13 ILE 45 15.584 -16.801 -1.362 198 HG21 ILE 45 HG21 ILE 45 12.315 -19.041 -2.229 199 HG22 ILE 45 HG22 ILE 45 13.287 -19.265 -0.755 200 HG23 ILE 45 HG23 ILE 45 11.829 -18.245 -0.713 201 HD11 ILE 45 HD11 ILE 45 15.245 -15.520 0.477 202 HD12 ILE 45 HD12 ILE 45 13.499 -15.751 0.220 203 HD13 ILE 45 HD13 ILE 45 14.390 -16.840 1.310 204 H SER 46 H SER 46 16.488 -16.969 -3.243 205 HA SER 46 HA SER 46 16.480 -14.216 -3.364 206 HB2 SER 46 HB2 SER 46 18.825 -14.388 -3.727 207 HB3 SER 46 HB3 SER 46 18.411 -15.812 -2.794 208 HG SER 46 HG SER 46 19.212 -16.991 -4.379 209 H GLU 47 H GLU 47 16.291 -16.734 -5.898 210 HA GLU 47 HA GLU 47 16.925 -15.152 -8.062 211 HB2 GLU 47 HB2 GLU 47 16.600 -17.710 -7.922 212 HB3 GLU 47 HB3 GLU 47 14.883 -17.408 -8.100 213 HG2 GLU 47 HG2 GLU 47 15.218 -16.334 -10.269 214 HG3 GLU 47 HG3 GLU 47 16.959 -16.343 -10.067 215 HE2 GLU 47 HE2 GLU 47 17.597 -18.633 -11.596 216 H ALA 48 H ALA 48 13.948 -15.449 -6.139 217 HA ALA 48 HA ALA 48 12.235 -14.223 -8.021 218 HB1 ALA 48 HB1 ALA 48 11.135 -13.752 -5.531 219 HB2 ALA 48 HB2 ALA 48 10.920 -15.240 -6.484 220 HB3 ALA 48 HB3 ALA 48 12.176 -15.163 -5.225 221 H GLU 49 H GLU 49 14.165 -13.028 -5.202 222 HA GLU 49 HA GLU 49 13.254 -10.438 -5.291 223 HB2 GLU 49 HB2 GLU 49 16.108 -11.165 -4.558 224 HB3 GLU 49 HB3 GLU 49 15.100 -9.910 -3.867 225 HG2 GLU 49 HG2 GLU 49 15.054 -12.878 -3.365 226 HG3 GLU 49 HG3 GLU 49 14.924 -11.559 -2.219 227 HE2 GLU 49 HE2 GLU 49 13.388 -13.868 -2.969 228 H GLU 50 H GLU 50 16.239 -11.870 -6.799 229 HA GLU 50 HA GLU 50 16.951 -9.505 -8.078 230 HB2 GLU 50 HB2 GLU 50 17.662 -12.420 -8.577 231 HB3 GLU 50 HB3 GLU 50 18.359 -11.121 -9.523 232 HG2 GLU 50 HG2 GLU 50 19.164 -10.042 -7.383 233 HG3 GLU 50 HG3 GLU 50 18.539 -11.413 -6.487 234 HE2 GLU 50 HE2 GLU 50 22.072 -11.440 -7.883 235 H LEU 51 H LEU 51 14.849 -12.256 -8.987 236 HA LEU 51 HA LEU 51 14.641 -11.672 -11.707 237 HB2 LEU 51 HB2 LEU 51 13.971 -13.787 -10.972 238 HB3 LEU 51 HB3 LEU 51 12.929 -13.137 -9.723 239 HG LEU 51 HG LEU 51 12.411 -12.937 -12.703 240 HD11 LEU 51 HD11 LEU 51 11.684 -15.031 -12.579 241 HD12 LEU 51 HD12 LEU 51 11.946 -15.080 -10.819 242 HD13 LEU 51 HD13 LEU 51 10.408 -14.467 -11.472 243 HD21 LEU 51 HD21 LEU 51 11.125 -11.213 -12.068 244 HD22 LEU 51 HD22 LEU 51 10.020 -12.476 -11.475 245 HD23 LEU 51 HD23 LEU 51 11.153 -11.685 -10.352 246 H ALA 52 H ALA 52 12.819 -10.498 -8.826 247 HA ALA 52 HA ALA 52 10.973 -8.997 -10.361 248 HB1 ALA 52 HB1 ALA 52 11.335 -7.953 -7.700 249 HB2 ALA 52 HB2 ALA 52 9.991 -8.928 -8.343 250 HB3 ALA 52 HB3 ALA 52 11.416 -9.730 -7.640 251 H ARG 53 H ARG 53 14.124 -8.313 -8.752 252 HA ARG 53 HA ARG 53 14.125 -5.621 -8.944 253 HB2 ARG 53 HB2 ARG 53 16.267 -5.903 -8.207 254 HB3 ARG 53 HB3 ARG 53 15.994 -7.628 -8.344 255 HG2 ARG 53 HG2 ARG 53 16.851 -7.630 -10.657 256 HG3 ARG 53 HG3 ARG 53 16.998 -5.884 -10.641 257 HD2 ARG 53 HD2 ARG 53 18.418 -7.382 -8.451 258 HD3 ARG 53 HD3 ARG 53 19.081 -7.528 -10.066 259 HE ARG 53 HE ARG 53 18.695 -4.811 -9.840 260 HH11 ARG 53 HH22 ARG 53 20.294 -7.179 -7.786 261 HH12 ARG 53 HH21 ARG 53 21.435 -6.043 -7.147 262 HH21 ARG 53 HH12 ARG 53 20.200 -3.312 -8.998 263 HH22 ARG 53 HH11 ARG 53 21.381 -3.829 -7.841 264 H GLU 54 H GLU 54 15.125 -8.055 -11.441 265 HA GLU 54 HA GLU 54 15.738 -6.016 -13.318 266 HB2 GLU 54 HB2 GLU 54 16.199 -7.868 -14.851 267 HB3 GLU 54 HB3 GLU 54 16.906 -8.215 -13.286 268 HG2 GLU 54 HG2 GLU 54 15.056 -9.710 -12.703 269 HG3 GLU 54 HG3 GLU 54 14.158 -9.240 -14.133 270 HE2 GLU 54 HE2 GLU 54 17.389 -11.582 -14.346 271 H LYS 55 H LYS 55 12.949 -8.076 -12.499 272 HA LYS 55 HA LYS 55 11.507 -7.838 -14.847 273 HB2 LYS 55 HB2 LYS 55 11.003 -9.366 -12.954 274 HB3 LYS 55 HB3 LYS 55 10.455 -7.997 -12.007 275 HG2 LYS 55 HG2 LYS 55 8.564 -9.197 -13.129 276 HG3 LYS 55 HG3 LYS 55 8.667 -7.516 -13.614 277 HD2 LYS 55 HD2 LYS 55 8.296 -9.097 -15.546 278 HD3 LYS 55 HD3 LYS 55 9.725 -8.099 -15.727 279 HE2 LYS 55 HE2 LYS 55 10.275 -10.415 -16.330 280 HE3 LYS 55 HE3 LYS 55 11.144 -9.979 -14.872 281 HZ1 LYS 55 HZ1 LYS 55 9.719 -12.151 -15.053 282 HZ2 LYS 55 HZ2 LYS 55 9.894 -11.358 -13.636 283 HZ3 LYS 55 HZ3 LYS 55 8.534 -11.163 -14.519 284 H PHE 56 H PHE 56 11.500 -5.717 -11.903 285 HA PHE 56 HA PHE 56 9.705 -3.869 -13.067 286 HB2 PHE 56 HB2 PHE 56 9.986 -2.824 -10.956 287 HB3 PHE 56 HB3 PHE 56 10.530 -4.442 -10.563 288 HD1 PHE 56 HD1 PHE 56 11.919 -1.234 -11.883 289 HD2 PHE 56 HD2 PHE 56 12.542 -4.663 -9.462 290 HE1 PHE 56 HE1 PHE 56 14.134 -0.311 -11.146 291 HE2 PHE 56 HE2 PHE 56 14.757 -3.740 -8.725 292 HZ PHE 56 HZ PHE 56 15.526 -1.575 -9.576 293 H GLU 57 H GLU 57 13.296 -4.040 -12.707 294 HA GLU 57 HA GLU 57 13.696 -1.474 -13.769 295 HB2 GLU 57 HB2 GLU 57 15.923 -1.874 -13.352 296 HB3 GLU 57 HB3 GLU 57 15.256 -3.161 -12.368 297 HG2 GLU 57 HG2 GLU 57 16.805 -4.371 -13.622 298 HG3 GLU 57 HG3 GLU 57 15.381 -4.568 -14.624 299 HE2 GLU 57 HE2 GLU 57 17.952 -1.733 -15.873 300 H LYS 58 H LYS 58 12.703 -4.429 -15.180 301 HA LYS 58 HA LYS 58 14.016 -4.008 -17.707 302 HB2 LYS 58 HB2 LYS 58 12.221 -6.074 -16.505 303 HB3 LYS 58 HB3 LYS 58 12.248 -5.932 -18.251 304 HG2 LYS 58 HG2 LYS 58 14.581 -6.419 -18.384 305 HG3 LYS 58 HG3 LYS 58 14.852 -6.045 -16.694 306 HD2 LYS 58 HD2 LYS 58 14.884 -8.498 -17.085 307 HD3 LYS 58 HD3 LYS 58 13.583 -8.048 -16.000 308 HE2 LYS 58 HE2 LYS 58 11.911 -8.322 -17.696 309 HE3 LYS 58 HE3 LYS 58 13.090 -8.279 -18.992 310 HZ1 LYS 58 HZ1 LYS 58 12.841 -10.483 -18.814 311 HZ2 LYS 58 HZ2 LYS 58 13.968 -10.347 -17.640 312 HZ3 LYS 58 HZ3 LYS 58 12.387 -10.457 -17.246 313 H GLY 59 H GLY 59 11.262 -2.780 -16.043 314 HA2 GLY 59 HA2 GLY 59 10.319 -1.568 -18.548 315 HA3 GLY 59 HA3 GLY 59 9.177 -2.440 -17.545 316 H GLU 60 H GLU 60 8.089 -1.280 -16.015 317 HA GLU 60 HA GLU 60 9.414 1.145 -15.078 318 HB2 GLU 60 HB2 GLU 60 7.455 1.498 -16.698 319 HB3 GLU 60 HB3 GLU 60 6.408 0.837 -15.458 320 HG2 GLU 60 HG2 GLU 60 6.548 3.363 -15.435 321 HG3 GLU 60 HG3 GLU 60 6.967 2.619 -13.905 322 HE2 GLU 60 HE2 GLU 60 8.172 4.394 -16.520 323 H VAL 61 H VAL 61 8.525 1.911 -12.887 324 HA VAL 61 HA VAL 61 7.250 -0.133 -11.310 325 HB VAL 61 HB VAL 61 9.739 -0.669 -11.434 326 HG11 VAL 61 HG11 VAL 61 9.839 1.886 -9.809 327 HG12 VAL 61 HG12 VAL 61 11.117 0.649 -9.755 328 HG13 VAL 61 HG13 VAL 61 10.748 1.480 -11.284 329 HG21 VAL 61 HG21 VAL 61 8.709 -1.846 -9.761 330 HG22 VAL 61 HG22 VAL 61 9.781 -0.826 -8.773 331 HG23 VAL 61 HG23 VAL 61 8.068 -0.385 -8.971 332 H SER 62 H SER 62 6.009 0.807 -9.730 333 HA SER 62 HA SER 62 6.215 3.685 -9.592 334 HB2 SER 62 HB2 SER 62 4.074 1.744 -8.618 335 HB3 SER 62 HB3 SER 62 3.982 3.480 -8.405 336 HG SER 62 HG SER 62 2.975 2.299 -10.419 337 H ASN 63 H ASN 63 7.047 0.808 -7.833 338 HA ASN 63 HA ASN 63 6.701 1.291 -5.271 339 HB2 ASN 63 HB2 ASN 63 8.580 -0.098 -4.854 340 HB3 ASN 63 HB3 ASN 63 8.171 -0.514 -6.507 341 HD21 ASN 63 HD21 ASN 63 9.130 1.285 -8.096 342 HD22 ASN 63 HD22 ASN 63 10.839 1.527 -7.944 343 H PHE 64 H PHE 64 8.792 3.091 -7.522 344 HA PHE 64 HA PHE 64 10.150 4.824 -7.292 345 HB2 PHE 64 HB2 PHE 64 7.704 5.558 -6.555 346 HB3 PHE 64 HB3 PHE 64 8.351 5.576 -4.926 347 HD1 PHE 64 HD2 PHE 64 9.476 6.824 -8.272 348 HD2 PHE 64 HD1 PHE 64 8.872 7.674 -4.158 349 HE1 PHE 64 HE2 PHE 64 10.316 9.162 -8.631 350 HE2 PHE 64 HE1 PHE 64 9.712 10.012 -4.518 351 HZ PHE 64 HZ PHE 64 10.423 10.728 -6.750 352 H ASP 65 H ASP 65 11.335 2.691 -6.054 353 HA ASP 65 HA ASP 65 12.635 4.036 -3.851 354 HB2 ASP 65 HB2 ASP 65 11.868 1.091 -3.692 355 HB3 ASP 65 HB3 ASP 65 12.561 2.075 -2.418 356 HD2 ASP 65 HD2 ASP 65 9.878 0.926 -3.747 357 H ASP 66 H ASP 66 14.796 2.845 -3.337 358 HA ASP 66 HA ASP 66 16.218 2.477 -5.641 359 HB2 ASP 66 HB2 ASP 66 16.686 1.610 -2.764 360 HB3 ASP 66 HB3 ASP 66 17.873 1.261 -4.005 361 HD2 ASP 66 HD2 ASP 66 18.656 4.634 -4.501 362 H VAL 67 H VAL 67 17.147 0.489 -6.605 363 HA VAL 67 HA VAL 67 15.386 -1.565 -6.989 364 HB VAL 67 HB VAL 67 17.162 -1.186 -8.499 365 HG11 VAL 67 HG11 VAL 67 18.707 -0.631 -6.274 366 HG12 VAL 67 HG12 VAL 67 19.418 -2.144 -6.888 367 HG13 VAL 67 HG13 VAL 67 19.289 -0.724 -7.954 368 HG21 VAL 67 HG21 VAL 67 17.252 -3.351 -9.023 369 HG22 VAL 67 HG22 VAL 67 18.407 -3.657 -7.704 370 HG23 VAL 67 HG23 VAL 67 16.657 -3.745 -7.393 371 H GLU 68 H GLU 68 17.856 -1.125 -4.437 372 HA GLU 68 HA GLU 68 17.734 -3.751 -3.505 373 HB2 GLU 68 HB2 GLU 68 19.566 -2.114 -3.003 374 HB3 GLU 68 HB3 GLU 68 18.463 -1.205 -1.989 375 HG2 GLU 68 HG2 GLU 68 18.391 -2.862 -0.326 376 HG3 GLU 68 HG3 GLU 68 18.771 -4.157 -1.444 377 HE2 GLU 68 HE2 GLU 68 22.145 -2.456 -1.488 378 H GLU 69 H GLU 69 15.725 -0.867 -3.001 379 HA GLU 69 HA GLU 69 14.473 -1.859 -0.676 380 HB2 GLU 69 HB2 GLU 69 14.665 0.596 -1.608 381 HB3 GLU 69 HB3 GLU 69 13.237 0.188 -2.538 382 HG2 GLU 69 HG2 GLU 69 12.371 1.134 -0.533 383 HG3 GLU 69 HG3 GLU 69 12.178 -0.593 -0.308 384 HE2 GLU 69 HE2 GLU 69 14.792 1.788 1.310 385 H LEU 70 H LEU 70 13.831 -1.980 -4.203 386 HA LEU 70 HA LEU 70 11.218 -3.025 -3.953 387 HB2 LEU 70 HB2 LEU 70 12.782 -1.993 -5.963 388 HB3 LEU 70 HB3 LEU 70 12.719 -3.694 -6.381 389 HG LEU 70 HG LEU 70 10.566 -1.643 -6.384 390 HD11 LEU 70 HD11 LEU 70 9.855 -2.937 -8.378 391 HD12 LEU 70 HD12 LEU 70 11.531 -2.348 -8.476 392 HD13 LEU 70 HD13 LEU 70 11.209 -4.057 -8.098 393 HD21 LEU 70 HD21 LEU 70 9.421 -2.928 -4.854 394 HD22 LEU 70 HD22 LEU 70 8.903 -3.665 -6.389 395 HD23 LEU 70 HD23 LEU 70 10.163 -4.449 -5.406 396 H VAL 71 H VAL 71 14.438 -4.546 -4.666 397 HA VAL 71 HA VAL 71 13.552 -7.146 -4.818 398 HB VAL 71 HB VAL 71 15.885 -7.722 -4.195 399 HG11 VAL 71 HG11 VAL 71 15.301 -7.183 -6.511 400 HG12 VAL 71 HG12 VAL 71 15.586 -5.455 -6.195 401 HG13 VAL 71 HG13 VAL 71 16.940 -6.607 -6.122 402 HG21 VAL 71 HG21 VAL 71 16.009 -4.768 -3.564 403 HG22 VAL 71 HG22 VAL 71 16.500 -6.148 -2.553 404 HG23 VAL 71 HG23 VAL 71 17.463 -5.705 -3.983 405 H LYS 72 H LYS 72 14.780 -5.342 -1.913 406 HA LYS 72 HA LYS 72 14.380 -7.418 -0.116 407 HB2 LYS 72 HB2 LYS 72 14.986 -5.905 1.488 408 HB3 LYS 72 HB3 LYS 72 15.611 -5.099 0.064 409 HG2 LYS 72 HG2 LYS 72 13.727 -3.592 -0.042 410 HG3 LYS 72 HG3 LYS 72 12.799 -4.550 1.096 411 HD2 LYS 72 HD2 LYS 72 13.796 -2.472 2.120 412 HD3 LYS 72 HD3 LYS 72 14.274 -3.946 2.938 413 HE2 LYS 72 HE2 LYS 72 16.381 -3.934 1.431 414 HE3 LYS 72 HE3 LYS 72 15.927 -2.306 0.970 415 HZ1 LYS 72 HZ1 LYS 72 17.402 -2.864 3.077 416 HZ2 LYS 72 HZ2 LYS 72 16.474 -1.524 2.975 417 HZ3 LYS 72 HZ3 LYS 72 15.935 -2.829 3.796 418 H LYS 73 H LYS 73 12.139 -5.090 -1.590 419 HA LYS 73 HA LYS 73 10.048 -5.619 0.279 420 HB2 LYS 73 HB2 LYS 73 10.252 -4.132 -2.337 421 HB3 LYS 73 HB3 LYS 73 8.698 -4.416 -1.579 422 HG2 LYS 73 HG2 LYS 73 10.955 -3.289 0.093 423 HG3 LYS 73 HG3 LYS 73 10.106 -2.225 -1.010 424 HD2 LYS 73 HD2 LYS 73 7.924 -2.906 0.050 425 HD3 LYS 73 HD3 LYS 73 8.806 -3.912 1.182 426 HE2 LYS 73 HE2 LYS 73 8.284 -1.733 2.217 427 HE3 LYS 73 HE3 LYS 73 10.018 -1.912 2.043 428 HZ1 LYS 73 HZ1 LYS 73 10.090 -0.284 0.542 429 HZ2 LYS 73 HZ2 LYS 73 8.697 -0.705 -0.199 430 HZ3 LYS 73 HZ3 LYS 73 8.657 0.178 1.174 431 H VAL 74 H VAL 74 11.238 -7.007 -2.762 432 HA VAL 74 HA VAL 74 8.853 -8.479 -3.280 433 HB VAL 74 HB VAL 74 11.676 -8.838 -4.306 434 HG11 VAL 74 HG11 VAL 74 10.898 -10.621 -5.393 435 HG12 VAL 74 HG12 VAL 74 9.276 -10.369 -4.704 436 HG13 VAL 74 HG13 VAL 74 9.727 -9.576 -6.233 437 HG21 VAL 74 HG21 VAL 74 9.987 -6.638 -4.647 438 HG22 VAL 74 HG22 VAL 74 11.405 -7.061 -5.636 439 HG23 VAL 74 HG23 VAL 74 9.782 -7.593 -6.134 440 H VAL 75 H VAL 75 11.985 -9.066 -1.616 441 HA VAL 75 HA VAL 75 11.470 -11.830 -1.213 442 HB VAL 75 HB VAL 75 13.674 -10.396 -1.219 443 HG11 VAL 75 HG11 VAL 75 12.786 -10.284 1.677 444 HG12 VAL 75 HG12 VAL 75 14.482 -10.098 1.167 445 HG13 VAL 75 HG13 VAL 75 13.253 -8.934 0.615 446 HG21 VAL 75 HG21 VAL 75 13.336 -12.692 0.739 447 HG22 VAL 75 HG22 VAL 75 13.456 -12.880 -1.027 448 HG23 VAL 75 HG23 VAL 75 14.823 -12.205 -0.110 449 H ALA 76 H ALA 76 10.747 -8.795 0.514 450 HA ALA 76 HA ALA 76 10.095 -9.978 2.979 451 HB1 ALA 76 HB1 ALA 76 9.655 -7.358 1.589 452 HB2 ALA 76 HB2 ALA 76 8.656 -7.722 3.017 453 HB3 ALA 76 HB3 ALA 76 10.431 -7.703 3.154 454 H VAL 77 H VAL 77 8.108 -9.012 0.102 455 HA VAL 77 HA VAL 77 5.691 -9.927 1.228 456 HB VAL 77 HB VAL 77 5.860 -8.242 -0.536 457 HG11 VAL 77 HG11 VAL 77 6.384 -8.834 -2.837 458 HG12 VAL 77 HG12 VAL 77 7.754 -9.248 -1.779 459 HG13 VAL 77 HG13 VAL 77 6.665 -10.527 -2.367 460 HG21 VAL 77 HG21 VAL 77 3.927 -10.134 -0.248 461 HG22 VAL 77 HG22 VAL 77 3.824 -8.759 -1.374 462 HG23 VAL 77 HG23 VAL 77 4.352 -10.354 -1.963 463 H CYS 78 H CYS 78 8.069 -11.368 -1.094 464 HA CYS 78 HA CYS 78 6.718 -13.674 -1.647 465 HB2 CYS 78 HB2 CYS 78 8.922 -12.807 -2.627 466 HB3 CYS 78 HB3 CYS 78 9.720 -13.566 -1.264 467 HG CYS 78 HG CYS 78 10.035 -15.311 -3.020 468 H GLU 79 H GLU 79 9.037 -12.946 1.056 469 HA GLU 79 HA GLU 79 8.739 -15.486 2.208 470 HB2 GLU 79 HB2 GLU 79 9.823 -12.844 3.260 471 HB3 GLU 79 HB3 GLU 79 9.834 -14.309 4.221 472 HG2 GLU 79 HG2 GLU 79 11.004 -14.302 1.417 473 HG3 GLU 79 HG3 GLU 79 11.949 -13.721 2.773 474 HE2 GLU 79 HE2 GLU 79 13.014 -15.188 3.757 475 H GLU 80 H GLU 80 6.983 -12.412 2.435 476 HA GLU 80 HA GLU 80 5.714 -12.992 4.867 477 HB2 GLU 80 HB2 GLU 80 5.928 -10.697 3.963 478 HB3 GLU 80 HB3 GLU 80 4.910 -11.116 2.600 479 HG2 GLU 80 HG2 GLU 80 2.986 -11.501 4.061 480 HG3 GLU 80 HG3 GLU 80 3.978 -11.347 5.497 481 HE2 GLU 80 HE2 GLU 80 2.097 -8.808 5.401 482 H LEU 81 H LEU 81 5.302 -14.117 1.594 483 HA LEU 81 HA LEU 81 2.526 -14.816 1.966 484 HB2 LEU 81 HB2 LEU 81 4.448 -14.658 -0.231 485 HB3 LEU 81 HB3 LEU 81 3.441 -16.091 -0.307 486 HG LEU 81 HG LEU 81 2.759 -13.754 -1.416 487 HD11 LEU 81 HD11 LEU 81 0.452 -14.546 -1.471 488 HD12 LEU 81 HD12 LEU 81 1.595 -15.892 -1.694 489 HD13 LEU 81 HD13 LEU 81 0.788 -15.661 -0.125 490 HD21 LEU 81 HD21 LEU 81 1.023 -13.517 0.985 491 HD22 LEU 81 HD22 LEU 81 2.693 -12.919 1.130 492 HD23 LEU 81 HD23 LEU 81 1.623 -12.270 -0.135 493 H GLY 82 H GLY 82 5.674 -16.121 2.657 494 HA2 GLY 82 HA2 GLY 82 6.377 -18.262 3.073 495 HA3 GLY 82 HA3 GLY 82 5.080 -18.131 4.245 496 H ALA 83 H ALA 83 4.772 -18.284 0.649 497 HA ALA 83 HA ALA 83 3.279 -20.787 1.028 498 HB1 ALA 83 HB1 ALA 83 1.734 -20.044 -0.495 499 HB2 ALA 83 HB2 ALA 83 2.295 -18.456 0.082 500 HB3 ALA 83 HB3 ALA 83 2.938 -19.131 -1.434 501 H GLU 84 H GLU 84 3.871 -22.589 -0.163 502 HA GLU 84 HA GLU 84 5.860 -22.178 -2.224 503 HB2 GLU 84 HB2 GLU 84 6.218 -24.214 0.018 504 HB3 GLU 84 HB3 GLU 84 7.312 -23.956 -1.327 505 HG2 GLU 84 HG2 GLU 84 7.508 -21.505 -0.512 506 HG3 GLU 84 HG3 GLU 84 6.686 -22.024 0.946 507 HE2 GLU 84 HE2 GLU 84 8.881 -24.668 0.145 508 H GLU 85 H GLU 85 2.895 -22.969 -1.877 509 HA GLU 85 HA GLU 85 2.655 -24.626 -3.962 510 HB2 GLU 85 HB2 GLU 85 2.060 -26.854 -2.805 511 HB3 GLU 85 HB3 GLU 85 3.763 -26.472 -2.966 512 HG2 GLU 85 HG2 GLU 85 3.839 -25.644 -0.636 513 HG3 GLU 85 HG3 GLU 85 2.112 -25.885 -0.463 514 HE2 GLU 85 HE2 GLU 85 5.083 -27.702 -0.096 515 H CYS 86 H CYS 86 0.381 -25.475 -4.223 516 HA CYS 86 HA CYS 86 -1.392 -23.891 -2.529 517 HB2 CYS 86 HB2 CYS 86 -1.715 -23.234 -4.759 518 HB3 CYS 86 HB3 CYS 86 -1.593 -24.870 -5.373 519 H PHE 87 H PHE 87 -1.438 -25.435 -0.757 520 HA PHE 87 HA PHE 87 -1.815 -28.148 -1.029 521 HB2 PHE 87 HB2 PHE 87 -2.937 -26.204 1.078 522 HB3 PHE 87 HB3 PHE 87 -2.645 -27.911 1.343 523 HD1 PHE 87 HD2 PHE 87 -0.378 -28.757 1.632 524 HD2 PHE 87 HD1 PHE 87 -1.096 -24.620 1.022 525 HE1 PHE 87 HE2 PHE 87 1.950 -28.238 2.411 526 HE2 PHE 87 HE1 PHE 87 1.232 -24.101 1.801 527 HZ PHE 87 HZ PHE 87 2.728 -25.916 2.487 528 H SER 88 H SER 88 -4.102 -25.474 -1.410 529 HA SER 88 HA SER 88 -6.437 -26.832 -0.889 530 HB2 SER 88 HB2 SER 88 -5.918 -24.606 -2.912 531 HB3 SER 88 HB3 SER 88 -7.505 -25.088 -2.345 532 HG SER 88 HG SER 88 -5.828 -24.614 -0.204 533 H CYS 89 H CYS 89 -4.099 -27.305 -3.379 534 HA CYS 89 HA CYS 89 -5.639 -27.975 -5.555 535 HB2 CYS 89 HB2 CYS 89 -2.893 -28.598 -4.616 536 HB3 CYS 89 HB3 CYS 89 -3.557 -29.712 -5.795 537 H ASP 90 H ASP 90 -4.734 -29.808 -2.593 538 HA ASP 90 HA ASP 90 -6.212 -32.083 -3.594 539 HB2 ASP 90 HB2 ASP 90 -5.272 -33.277 -1.653 540 HB3 ASP 90 HB3 ASP 90 -3.996 -32.476 -2.548 541 HD2 ASP 90 HD2 ASP 90 -5.222 -31.770 1.058 542 H PHE 91 H PHE 91 -7.407 -29.409 -2.699 543 HA PHE 91 HA PHE 91 -8.519 -29.733 -0.137 544 HB2 PHE 91 HB2 PHE 91 -8.294 -27.565 -1.361 545 HB3 PHE 91 HB3 PHE 91 -9.297 -28.165 -2.667 546 HD1 PHE 91 HD1 PHE 91 -10.092 -28.769 0.875 547 HD2 PHE 91 HD2 PHE 91 -10.904 -26.394 -2.547 548 HE1 PHE 91 HE1 PHE 91 -12.127 -27.833 2.007 549 HE2 PHE 91 HE2 PHE 91 -12.940 -25.458 -1.414 550 HZ PHE 91 HZ PHE 91 -13.526 -26.189 0.850 551 H ASP 92 H ASP 92 -10.214 -30.952 0.561 552 HA ASP 92 HA ASP 92 -12.009 -31.931 -1.518 553 HB2 ASP 92 HB2 ASP 92 -12.321 -33.903 0.189 554 HB3 ASP 92 HB3 ASP 92 -10.910 -33.895 -0.851 555 HD2 ASP 92 HD2 ASP 92 -9.122 -34.773 1.260 Start of MODEL 20 1 H SER 16 H SER 16 -0.710 1.197 -4.323 2 HA SER 16 HA SER 16 1.576 1.010 -2.522 3 HB2 SER 16 HB2 SER 16 -0.287 0.008 -0.952 4 HB3 SER 16 HB3 SER 16 -0.170 1.745 -1.158 5 HG SER 16 HG SER 16 -2.373 0.696 -1.390 6 H GLU 17 H GLU 17 0.413 -0.476 -5.162 7 HA GLU 17 HA GLU 17 0.757 -3.143 -4.031 8 HB2 GLU 17 HB2 GLU 17 -0.417 -3.820 -6.276 9 HB3 GLU 17 HB3 GLU 17 -1.390 -3.187 -4.964 10 HG2 GLU 17 HG2 GLU 17 -1.992 -2.103 -7.111 11 HG3 GLU 17 HG3 GLU 17 -1.355 -0.928 -5.977 12 HE2 GLU 17 HE2 GLU 17 0.331 0.351 -7.000 13 H ALA 18 H ALA 18 2.606 -0.850 -5.280 14 HA ALA 18 HA ALA 18 3.673 -1.720 -7.652 15 HB1 ALA 18 HB1 ALA 18 5.413 -0.632 -5.439 16 HB2 ALA 18 HB2 ALA 18 5.423 -0.246 -7.177 17 HB3 ALA 18 HB3 ALA 18 4.121 0.377 -6.135 18 H VAL 19 H VAL 19 4.623 -2.643 -4.272 19 HA VAL 19 HA VAL 19 6.653 -4.386 -4.998 20 HB VAL 19 HB VAL 19 6.333 -3.525 -2.761 21 HG11 VAL 19 HG11 VAL 19 4.519 -3.973 -1.365 22 HG12 VAL 19 HG12 VAL 19 3.749 -3.740 -2.952 23 HG13 VAL 19 HG13 VAL 19 4.002 -5.384 -2.319 24 HG21 VAL 19 HG21 VAL 19 6.595 -5.658 -1.474 25 HG22 VAL 19 HG22 VAL 19 6.142 -6.548 -2.948 26 HG23 VAL 19 HG23 VAL 19 7.619 -5.555 -2.927 27 H TYR 20 H TYR 20 3.172 -5.096 -4.226 28 HA TYR 20 HA TYR 20 3.222 -7.791 -4.696 29 HB2 TYR 20 HB2 TYR 20 1.310 -5.460 -4.868 30 HB3 TYR 20 HB3 TYR 20 0.767 -6.910 -5.688 31 HD1 TYR 20 HD2 TYR 20 2.890 -7.388 -2.771 32 HD2 TYR 20 HD1 TYR 20 -1.156 -6.944 -4.089 33 HE1 TYR 20 HE2 TYR 20 2.058 -8.331 -0.560 34 HE2 TYR 20 HE1 TYR 20 -1.974 -7.888 -1.875 35 HH TYR 20 HH TYR 20 0.192 -9.365 0.364 36 H ILE 21 H ILE 21 3.428 -5.126 -7.013 37 HA ILE 21 HA ILE 21 2.657 -6.723 -9.253 38 HB ILE 21 HB ILE 21 3.412 -3.953 -8.694 39 HG12 ILE 21 HG12 ILE 21 1.118 -4.729 -9.186 40 HG13 ILE 21 HG13 ILE 21 1.668 -3.482 -10.287 41 HG21 ILE 21 HG21 ILE 21 5.286 -4.374 -10.120 42 HG22 ILE 21 HG22 ILE 21 4.268 -5.238 -11.298 43 HG23 ILE 21 HG23 ILE 21 4.065 -3.485 -11.063 44 HD11 ILE 21 HD11 ILE 21 2.439 -6.035 -11.390 45 HD12 ILE 21 HD12 ILE 21 0.722 -6.111 -10.930 46 HD13 ILE 21 HD13 ILE 21 1.288 -4.848 -12.049 47 H ALA 22 H ALA 22 5.773 -5.463 -7.898 48 HA ALA 22 HA ALA 22 7.419 -6.575 -9.835 49 HB1 ALA 22 HB1 ALA 22 9.179 -6.045 -8.344 50 HB2 ALA 22 HB2 ALA 22 7.903 -4.866 -7.955 51 HB3 ALA 22 HB3 ALA 22 8.153 -6.284 -6.909 52 H ILE 23 H ILE 23 6.141 -7.917 -6.731 53 HA ILE 23 HA ILE 23 7.553 -10.364 -7.034 54 HB ILE 23 HB ILE 23 6.265 -11.086 -5.123 55 HG12 ILE 23 HG12 ILE 23 4.714 -9.020 -4.244 56 HG13 ILE 23 HG13 ILE 23 4.444 -8.915 -5.972 57 HG21 ILE 23 HG21 ILE 23 7.702 -9.942 -3.885 58 HG22 ILE 23 HG22 ILE 23 7.949 -8.798 -5.227 59 HG23 ILE 23 HG23 ILE 23 6.683 -8.488 -4.014 60 HD11 ILE 23 HD11 ILE 23 3.509 -11.071 -6.106 61 HD12 ILE 23 HD12 ILE 23 4.321 -11.620 -4.620 62 HD13 ILE 23 HD13 ILE 23 2.932 -10.513 -4.517 63 H GLU 24 H GLU 24 4.464 -9.038 -8.147 64 HA GLU 24 HA GLU 24 3.552 -11.662 -8.894 65 HB2 GLU 24 HB2 GLU 24 1.917 -10.065 -7.994 66 HB3 GLU 24 HB3 GLU 24 2.321 -8.893 -9.233 67 HG2 GLU 24 HG2 GLU 24 1.355 -10.219 -10.977 68 HG3 GLU 24 HG3 GLU 24 1.353 -11.671 -9.995 69 HE2 GLU 24 HE2 GLU 24 -1.261 -10.368 -7.935 70 H ALA 25 H ALA 25 5.783 -9.523 -10.108 71 HA ALA 25 HA ALA 25 5.021 -9.356 -12.821 72 HB1 ALA 25 HB1 ALA 25 7.708 -9.130 -11.408 73 HB2 ALA 25 HB2 ALA 25 7.425 -8.709 -13.114 74 HB3 ALA 25 HB3 ALA 25 6.602 -7.798 -11.824 75 H GLY 26 H GLY 26 5.856 -12.007 -10.877 76 HA2 GLY 26 HA2 GLY 26 5.621 -14.097 -12.266 77 HA3 GLY 26 HA3 GLY 26 6.986 -13.483 -13.176 78 H THR 27 H THR 27 7.477 -12.343 -10.071 79 HA THR 27 HA THR 27 9.668 -13.984 -9.574 80 HB THR 27 HB THR 27 8.108 -11.830 -8.240 81 HG1 THR 27 HG1 THR 27 10.129 -11.086 -8.738 82 HG21 THR 27 HG21 THR 27 8.075 -13.048 -6.220 83 HG22 THR 27 HG22 THR 27 9.489 -14.027 -6.677 84 HG23 THR 27 HG23 THR 27 9.707 -12.339 -6.154 85 H LEU 28 H LEU 28 6.267 -14.212 -8.412 86 HA LEU 28 HA LEU 28 6.924 -16.948 -7.594 87 HB2 LEU 28 HB2 LEU 28 5.141 -16.475 -5.752 88 HB3 LEU 28 HB3 LEU 28 6.829 -16.072 -5.509 89 HG LEU 28 HG LEU 28 5.908 -13.730 -6.561 90 HD11 LEU 28 HD11 LEU 28 3.557 -15.129 -6.067 91 HD12 LEU 28 HD12 LEU 28 3.722 -14.042 -4.667 92 HD13 LEU 28 HD13 LEU 28 3.726 -13.375 -6.318 93 HD21 LEU 28 HD21 LEU 28 6.855 -14.703 -4.075 94 HD22 LEU 28 HD22 LEU 28 6.837 -13.027 -4.675 95 HD23 LEU 28 HD23 LEU 28 5.463 -13.649 -3.731 96 H ALA 29 H ALA 29 4.657 -18.139 -7.167 97 HA ALA 29 HA ALA 29 2.850 -17.307 -9.329 98 HB1 ALA 29 HB1 ALA 29 4.155 -19.969 -8.771 99 HB2 ALA 29 HB2 ALA 29 2.553 -19.912 -9.545 100 HB3 ALA 29 HB3 ALA 29 3.944 -19.117 -10.319 101 H GLU 30 H GLU 30 0.627 -17.594 -8.916 102 HA GLU 30 HA GLU 30 -0.063 -18.848 -6.413 103 HB2 GLU 30 HB2 GLU 30 -1.311 -16.936 -5.571 104 HB3 GLU 30 HB3 GLU 30 0.340 -16.434 -5.873 105 HG2 GLU 30 HG2 GLU 30 -0.263 -14.996 -7.558 106 HG3 GLU 30 HG3 GLU 30 -1.438 -16.111 -8.228 107 HE2 GLU 30 HE2 GLU 30 -3.870 -14.983 -5.758 108 H CYS 31 H CYS 31 -2.306 -19.527 -6.323 109 HA CYS 31 HA CYS 31 -3.378 -19.958 -8.937 110 HB2 CYS 31 HB2 CYS 31 -4.359 -20.793 -6.189 111 HB3 CYS 31 HB3 CYS 31 -5.131 -21.253 -7.694 112 H GLU 32 H GLU 32 -5.261 -18.991 -9.805 113 HA GLU 32 HA GLU 32 -6.224 -16.728 -8.247 114 HB2 GLU 32 HB2 GLU 32 -6.776 -15.652 -10.331 115 HB3 GLU 32 HB3 GLU 32 -5.153 -16.289 -10.499 116 HG2 GLU 32 HG2 GLU 32 -6.273 -18.404 -11.531 117 HG3 GLU 32 HG3 GLU 32 -7.731 -17.437 -11.641 118 HE2 GLU 32 HE2 GLU 32 -7.844 -15.989 -13.031 119 H VAL 33 H VAL 33 -7.037 -19.716 -8.188 120 HA VAL 33 HA VAL 33 -9.848 -19.355 -8.951 121 HB VAL 33 HB VAL 33 -9.671 -21.972 -8.488 122 HG11 VAL 33 HG11 VAL 33 -9.049 -22.182 -10.988 123 HG12 VAL 33 HG12 VAL 33 -10.497 -21.242 -10.557 124 HG13 VAL 33 HG13 VAL 33 -8.984 -20.404 -10.975 125 HG21 VAL 33 HG21 VAL 33 -6.924 -21.430 -9.623 126 HG22 VAL 33 HG22 VAL 33 -7.192 -21.623 -7.874 127 HG23 VAL 33 HG23 VAL 33 -7.595 -22.951 -8.988 128 H HIS 34 H HIS 34 -7.547 -20.108 -6.327 129 HA HIS 34 HA HIS 34 -9.747 -19.692 -4.465 130 HB2 HIS 34 HB2 HIS 34 -8.424 -21.573 -3.093 131 HB3 HIS 34 HB3 HIS 34 -9.791 -21.920 -4.132 132 HD1 HIS 34 HD1 HIS 34 -8.946 -24.327 -4.636 133 HD2 HIS 34 HD2 HIS 34 -6.290 -21.296 -5.802 134 HE1 HIS 34 HE1 HIS 34 -7.194 -25.443 -6.118 135 H GLU 35 H GLU 35 -9.050 -17.667 -3.811 136 HA GLU 35 HA GLU 35 -6.436 -16.904 -3.588 137 HB2 GLU 35 HB2 GLU 35 -7.268 -15.014 -2.295 138 HB3 GLU 35 HB3 GLU 35 -8.424 -15.384 -3.559 139 HG2 GLU 35 HG2 GLU 35 -9.716 -16.783 -1.850 140 HG3 GLU 35 HG3 GLU 35 -8.630 -16.173 -0.618 141 HE2 GLU 35 HE2 GLU 35 -10.836 -13.330 -2.420 142 H GLY 36 H GLY 36 -4.913 -16.804 -1.859 143 HA2 GLY 36 HA2 GLY 36 -4.467 -17.085 0.492 144 HA3 GLY 36 HA3 GLY 36 -5.621 -18.403 0.525 145 H THR 37 H THR 37 -4.767 -19.536 -2.109 146 HA THR 37 HA THR 37 -2.454 -20.978 -1.100 147 HB THR 37 HB THR 37 -3.264 -21.981 -3.622 148 HG1 THR 37 HG1 THR 37 -5.697 -22.017 -2.873 149 HG21 THR 37 HG21 THR 37 -4.025 -22.666 -0.749 150 HG22 THR 37 HG22 THR 37 -4.690 -23.581 -2.124 151 HG23 THR 37 HG23 THR 37 -2.933 -23.555 -1.838 152 H TYR 38 H TYR 38 -0.441 -20.339 -1.503 153 HA TYR 38 HA TYR 38 0.103 -19.257 -4.166 154 HB2 TYR 38 HB2 TYR 38 0.572 -18.106 -1.373 155 HB3 TYR 38 HB3 TYR 38 1.723 -17.715 -2.636 156 HD1 TYR 38 HD1 TYR 38 -1.988 -17.712 -2.058 157 HD2 TYR 38 HD2 TYR 38 1.368 -15.793 -3.891 158 HE1 TYR 38 HE1 TYR 38 -3.494 -15.825 -2.855 159 HE2 TYR 38 HE2 TYR 38 -0.149 -13.912 -4.682 160 HH TYR 38 HH TYR 38 -2.191 -12.923 -4.192 161 H PHE 39 H PHE 39 2.639 -19.017 -4.398 162 HA PHE 39 HA PHE 39 4.300 -20.572 -2.795 163 HB2 PHE 39 HB2 PHE 39 4.450 -22.607 -4.134 164 HB3 PHE 39 HB3 PHE 39 2.736 -22.336 -3.888 165 HD1 PHE 39 HD2 PHE 39 1.315 -21.598 -5.731 166 HD2 PHE 39 HD1 PHE 39 5.451 -22.334 -6.325 167 HE1 PHE 39 HE2 PHE 39 0.952 -21.637 -8.215 168 HE2 PHE 39 HE1 PHE 39 5.088 -22.373 -8.808 169 HZ PHE 39 HZ PHE 39 2.843 -22.024 -9.723 170 H SER 40 H SER 40 6.118 -19.374 -3.095 171 HA SER 40 HA SER 40 6.537 -18.134 -5.634 172 HB2 SER 40 HB2 SER 40 8.348 -16.956 -4.549 173 HB3 SER 40 HB3 SER 40 7.001 -17.000 -3.428 174 HG SER 40 HG SER 40 8.233 -18.046 -2.034 175 H ASP 41 H ASP 41 8.567 -18.393 -6.894 176 HA ASP 41 HA ASP 41 9.120 -20.838 -7.674 177 HB2 ASP 41 HB2 ASP 41 11.518 -19.952 -8.177 178 HB3 ASP 41 HB3 ASP 41 10.161 -19.099 -8.884 179 HD2 ASP 41 HD2 ASP 41 11.691 -18.392 -5.551 180 H SER 42 H SER 42 9.275 -22.479 -6.041 181 HA SER 42 HA SER 42 10.924 -22.129 -3.790 182 HB2 SER 42 HB2 SER 42 10.416 -24.537 -3.367 183 HB3 SER 42 HB3 SER 42 8.975 -23.594 -3.691 184 HG SER 42 HG SER 42 8.628 -24.664 -5.541 185 H GLY 43 H GLY 43 13.043 -22.867 -3.397 186 HA2 GLY 43 HA2 GLY 43 14.830 -24.370 -3.937 187 HA3 GLY 43 HA3 GLY 43 14.377 -24.272 -5.627 188 H ASP 44 H ASP 44 13.826 -21.279 -5.396 189 HA ASP 44 HA ASP 44 16.495 -20.312 -4.868 190 HB2 ASP 44 HB2 ASP 44 15.916 -20.977 -7.425 191 HB3 ASP 44 HB3 ASP 44 15.166 -19.394 -7.412 192 HD2 ASP 44 HD2 ASP 44 17.435 -19.510 -9.086 193 H ILE 45 H ILE 45 15.360 -19.224 -3.064 194 HA ILE 45 HA ILE 45 13.100 -17.583 -3.578 195 HB ILE 45 HB ILE 45 14.873 -18.205 -1.273 196 HG12 ILE 45 HG12 ILE 45 12.702 -19.415 -2.008 197 HG13 ILE 45 HG13 ILE 45 12.954 -19.062 -0.310 198 HG21 ILE 45 HG21 ILE 45 13.224 -16.404 -0.109 199 HG22 ILE 45 HG22 ILE 45 14.888 -16.046 -0.630 200 HG23 ILE 45 HG23 ILE 45 13.515 -15.608 -1.674 201 HD11 ILE 45 HD11 ILE 45 10.732 -18.307 -1.860 202 HD12 ILE 45 HD12 ILE 45 11.133 -17.711 -0.232 203 HD13 ILE 45 HD13 ILE 45 11.665 -16.804 -1.668 204 H SER 46 H SER 46 16.619 -17.187 -3.680 205 HA SER 46 HA SER 46 16.570 -14.388 -3.531 206 HB2 SER 46 HB2 SER 46 18.600 -16.431 -4.481 207 HB3 SER 46 HB3 SER 46 18.915 -14.717 -4.664 208 HG SER 46 HG SER 46 18.505 -14.518 -2.307 209 H GLU 47 H GLU 47 15.937 -16.751 -6.058 210 HA GLU 47 HA GLU 47 16.551 -15.122 -8.242 211 HB2 GLU 47 HB2 GLU 47 16.352 -17.549 -8.467 212 HB3 GLU 47 HB3 GLU 47 14.677 -17.508 -7.954 213 HG2 GLU 47 HG2 GLU 47 13.931 -16.546 -9.974 214 HG3 GLU 47 HG3 GLU 47 15.493 -15.842 -10.341 215 HE2 GLU 47 HE2 GLU 47 17.124 -18.282 -11.333 216 H ALA 48 H ALA 48 13.832 -15.285 -6.009 217 HA ALA 48 HA ALA 48 11.908 -14.089 -7.697 218 HB1 ALA 48 HB1 ALA 48 12.239 -14.726 -4.792 219 HB2 ALA 48 HB2 ALA 48 11.026 -13.499 -5.225 220 HB3 ALA 48 HB3 ALA 48 10.916 -15.138 -5.909 221 H GLU 49 H GLU 49 14.136 -12.808 -5.134 222 HA GLU 49 HA GLU 49 13.298 -10.183 -5.404 223 HB2 GLU 49 HB2 GLU 49 15.513 -9.655 -4.280 224 HB3 GLU 49 HB3 GLU 49 14.526 -10.836 -3.442 225 HG2 GLU 49 HG2 GLU 49 15.856 -12.687 -4.335 226 HG3 GLU 49 HG3 GLU 49 16.740 -11.608 -5.396 227 HE2 GLU 49 HE2 GLU 49 19.117 -11.453 -2.909 228 H GLU 50 H GLU 50 15.907 -12.071 -7.028 229 HA GLU 50 HA GLU 50 16.901 -9.825 -8.405 230 HB2 GLU 50 HB2 GLU 50 18.195 -11.934 -7.879 231 HB3 GLU 50 HB3 GLU 50 17.240 -12.779 -9.081 232 HG2 GLU 50 HG2 GLU 50 18.073 -11.338 -10.869 233 HG3 GLU 50 HG3 GLU 50 18.848 -10.266 -9.720 234 HE2 GLU 50 HE2 GLU 50 21.486 -12.509 -9.098 235 H LEU 51 H LEU 51 14.424 -12.317 -9.030 236 HA LEU 51 HA LEU 51 14.172 -11.809 -11.790 237 HB2 LEU 51 HB2 LEU 51 13.439 -13.877 -10.862 238 HB3 LEU 51 HB3 LEU 51 12.364 -13.073 -9.736 239 HG LEU 51 HG LEU 51 12.036 -13.113 -12.749 240 HD11 LEU 51 HD11 LEU 51 9.857 -14.392 -11.654 241 HD12 LEU 51 HD12 LEU 51 11.266 -15.180 -12.405 242 HD13 LEU 51 HD13 LEU 51 11.203 -14.964 -10.639 243 HD21 LEU 51 HD21 LEU 51 9.621 -12.367 -11.785 244 HD22 LEU 51 HD22 LEU 51 10.695 -11.591 -10.597 245 HD23 LEU 51 HD23 LEU 51 10.876 -11.229 -12.330 246 H ALA 52 H ALA 52 12.519 -10.530 -8.846 247 HA ALA 52 HA ALA 52 10.678 -8.951 -10.260 248 HB1 ALA 52 HB1 ALA 52 9.980 -9.122 -8.105 249 HB2 ALA 52 HB2 ALA 52 11.636 -9.315 -7.481 250 HB3 ALA 52 HB3 ALA 52 11.005 -7.691 -7.844 251 H ARG 53 H ARG 53 14.010 -8.382 -9.017 252 HA ARG 53 HA ARG 53 13.986 -5.657 -9.594 253 HB2 ARG 53 HB2 ARG 53 16.113 -5.707 -8.710 254 HB3 ARG 53 HB3 ARG 53 15.679 -7.340 -8.245 255 HG2 ARG 53 HG2 ARG 53 17.699 -7.723 -9.364 256 HG3 ARG 53 HG3 ARG 53 16.548 -7.991 -10.658 257 HD2 ARG 53 HD2 ARG 53 17.690 -6.416 -11.842 258 HD3 ARG 53 HD3 ARG 53 16.980 -5.222 -10.774 259 HE ARG 53 HE ARG 53 19.112 -6.008 -9.284 260 HH11 ARG 53 HH22 ARG 53 18.885 -5.181 -12.697 261 HH12 ARG 53 HH21 ARG 53 20.515 -4.604 -12.797 262 HH21 ARG 53 HH12 ARG 53 21.263 -5.248 -9.416 263 HH22 ARG 53 HH11 ARG 53 21.877 -4.643 -10.918 264 H GLU 54 H GLU 54 14.490 -8.576 -11.516 265 HA GLU 54 HA GLU 54 15.956 -7.351 -13.574 266 HB2 GLU 54 HB2 GLU 54 15.647 -9.886 -12.970 267 HB3 GLU 54 HB3 GLU 54 14.195 -9.792 -13.946 268 HG2 GLU 54 HG2 GLU 54 15.791 -8.674 -15.745 269 HG3 GLU 54 HG3 GLU 54 17.076 -9.408 -14.807 270 HE2 GLU 54 HE2 GLU 54 17.076 -11.635 -16.811 271 H LYS 55 H LYS 55 12.466 -8.328 -13.263 272 HA LYS 55 HA LYS 55 11.757 -7.098 -15.715 273 HB2 LYS 55 HB2 LYS 55 10.629 -9.018 -14.275 274 HB3 LYS 55 HB3 LYS 55 9.758 -7.676 -13.560 275 HG2 LYS 55 HG2 LYS 55 8.353 -8.135 -15.357 276 HG3 LYS 55 HG3 LYS 55 9.399 -6.944 -16.103 277 HD2 LYS 55 HD2 LYS 55 10.567 -8.544 -17.365 278 HD3 LYS 55 HD3 LYS 55 10.248 -9.837 -16.226 279 HE2 LYS 55 HE2 LYS 55 8.042 -8.548 -17.893 280 HE3 LYS 55 HE3 LYS 55 8.954 -9.936 -18.453 281 HZ1 LYS 55 HZ1 LYS 55 7.481 -11.111 -17.328 282 HZ2 LYS 55 HZ2 LYS 55 8.206 -10.616 -15.951 283 HZ3 LYS 55 HZ3 LYS 55 6.895 -9.822 -16.514 284 H PHE 56 H PHE 56 11.927 -6.076 -12.300 285 HA PHE 56 HA PHE 56 10.417 -3.722 -12.650 286 HB2 PHE 56 HB2 PHE 56 10.857 -4.786 -10.450 287 HB3 PHE 56 HB3 PHE 56 12.588 -4.688 -10.701 288 HD1 PHE 56 HD2 PHE 56 10.590 -1.821 -11.684 289 HD2 PHE 56 HD1 PHE 56 12.764 -3.588 -8.496 290 HE1 PHE 56 HE2 PHE 56 10.637 0.387 -10.492 291 HE2 PHE 56 HE1 PHE 56 12.810 -1.379 -7.304 292 HZ PHE 56 HZ PHE 56 11.747 0.582 -8.316 293 H GLU 57 H GLU 57 13.863 -4.580 -13.082 294 HA GLU 57 HA GLU 57 14.703 -1.890 -13.230 295 HB2 GLU 57 HB2 GLU 57 16.364 -3.461 -12.583 296 HB3 GLU 57 HB3 GLU 57 15.966 -4.566 -13.884 297 HG2 GLU 57 HG2 GLU 57 16.845 -2.951 -15.557 298 HG3 GLU 57 HG3 GLU 57 17.183 -1.792 -14.287 299 HE2 GLU 57 HE2 GLU 57 20.292 -3.049 -13.958 300 H LYS 58 H LYS 58 13.703 -4.420 -15.575 301 HA LYS 58 HA LYS 58 14.363 -2.746 -17.820 302 HB2 LYS 58 HB2 LYS 58 14.022 -4.602 -19.103 303 HB3 LYS 58 HB3 LYS 58 14.392 -5.375 -17.575 304 HG2 LYS 58 HG2 LYS 58 11.927 -5.518 -17.076 305 HG3 LYS 58 HG3 LYS 58 11.585 -4.802 -18.639 306 HD2 LYS 58 HD2 LYS 58 13.143 -6.794 -19.530 307 HD3 LYS 58 HD3 LYS 58 12.698 -7.539 -18.007 308 HE2 LYS 58 HE2 LYS 58 10.935 -8.297 -19.320 309 HE3 LYS 58 HE3 LYS 58 10.225 -6.805 -18.736 310 HZ1 LYS 58 HZ1 LYS 58 11.520 -5.941 -20.867 311 HZ2 LYS 58 HZ2 LYS 58 11.169 -7.456 -21.367 312 HZ3 LYS 58 HZ3 LYS 58 9.968 -6.449 -20.909 313 H GLY 59 H GLY 59 12.092 -2.440 -15.488 314 HA2 GLY 59 HA2 GLY 59 10.226 -1.142 -17.344 315 HA3 GLY 59 HA3 GLY 59 9.599 -2.350 -16.240 316 H GLU 60 H GLU 60 11.341 0.793 -16.437 317 HA GLU 60 HA GLU 60 11.527 1.321 -13.768 318 HB2 GLU 60 HB2 GLU 60 12.488 2.648 -15.720 319 HB3 GLU 60 HB3 GLU 60 10.908 3.374 -15.934 320 HG2 GLU 60 HG2 GLU 60 10.975 4.279 -13.626 321 HG3 GLU 60 HG3 GLU 60 12.510 3.485 -13.335 322 HE2 GLU 60 HE2 GLU 60 12.116 6.857 -14.057 323 H VAL 61 H VAL 61 10.148 2.122 -12.166 324 HA VAL 61 HA VAL 61 7.371 2.570 -13.016 325 HB VAL 61 HB VAL 61 7.848 0.374 -11.862 326 HG11 VAL 61 HG11 VAL 61 8.735 0.237 -9.795 327 HG12 VAL 61 HG12 VAL 61 9.346 1.876 -10.126 328 HG13 VAL 61 HG13 VAL 61 7.838 1.657 -9.206 329 HG21 VAL 61 HG21 VAL 61 5.715 0.370 -11.135 330 HG22 VAL 61 HG22 VAL 61 5.982 1.741 -10.032 331 HG23 VAL 61 HG23 VAL 61 5.673 2.036 -11.759 332 H SER 62 H SER 62 6.131 3.900 -11.311 333 HA SER 62 HA SER 62 7.981 5.899 -10.266 334 HB2 SER 62 HB2 SER 62 5.110 6.369 -11.176 335 HB3 SER 62 HB3 SER 62 6.261 7.594 -10.682 336 HG SER 62 HG SER 62 7.596 6.468 -12.569 337 H ASN 63 H ASN 63 6.709 3.341 -9.089 338 HA ASN 63 HA ASN 63 5.353 4.685 -6.884 339 HB2 ASN 63 HB2 ASN 63 4.976 1.840 -7.958 340 HB3 ASN 63 HB3 ASN 63 4.228 2.430 -6.487 341 HD21 ASN 63 HD21 ASN 63 4.737 3.560 -9.832 342 HD22 ASN 63 HD22 ASN 63 3.115 4.086 -10.134 343 H PHE 64 H PHE 64 8.300 3.853 -7.621 344 HA PHE 64 HA PHE 64 8.766 2.153 -5.273 345 HB2 PHE 64 HB2 PHE 64 10.503 1.159 -6.547 346 HB3 PHE 64 HB3 PHE 64 9.389 1.577 -7.834 347 HD1 PHE 64 HD2 PHE 64 9.785 3.697 -9.143 348 HD2 PHE 64 HD1 PHE 64 12.658 2.124 -6.445 349 HE1 PHE 64 HE2 PHE 64 11.572 5.073 -10.245 350 HE2 PHE 64 HE1 PHE 64 14.445 3.499 -7.546 351 HZ PHE 64 HZ PHE 64 13.881 4.957 -9.433 352 H ASP 65 H ASP 65 10.782 2.602 -4.040 353 HA ASP 65 HA ASP 65 11.359 5.456 -4.161 354 HB2 ASP 65 HB2 ASP 65 11.781 3.586 -1.789 355 HB3 ASP 65 HB3 ASP 65 11.850 5.337 -1.773 356 HD2 ASP 65 HD2 ASP 65 9.279 6.330 -1.799 357 H ASP 66 H ASP 66 12.611 2.104 -3.893 358 HA ASP 66 HA ASP 66 15.127 2.995 -4.893 359 HB2 ASP 66 HB2 ASP 66 15.307 1.280 -2.421 360 HB3 ASP 66 HB3 ASP 66 16.502 2.372 -3.093 361 HD2 ASP 66 HD2 ASP 66 15.681 4.881 -1.002 362 H VAL 67 H VAL 67 16.290 1.174 -5.865 363 HA VAL 67 HA VAL 67 14.631 -0.986 -6.604 364 HB VAL 67 HB VAL 67 16.365 0.026 -8.021 365 HG11 VAL 67 HG11 VAL 67 18.399 -1.389 -6.272 366 HG12 VAL 67 HG12 VAL 67 18.707 -0.323 -7.664 367 HG13 VAL 67 HG13 VAL 67 18.034 0.349 -6.159 368 HG21 VAL 67 HG21 VAL 67 17.047 -2.883 -7.536 369 HG22 VAL 67 HG22 VAL 67 15.520 -2.364 -8.288 370 HG23 VAL 67 HG23 VAL 67 17.073 -1.980 -9.069 371 H GLU 68 H GLU 68 17.544 -0.701 -4.458 372 HA GLU 68 HA GLU 68 17.593 -3.372 -3.764 373 HB2 GLU 68 HB2 GLU 68 18.588 -0.854 -2.387 374 HB3 GLU 68 HB3 GLU 68 18.834 -2.435 -1.673 375 HG2 GLU 68 HG2 GLU 68 19.934 -3.184 -3.833 376 HG3 GLU 68 HG3 GLU 68 19.781 -1.546 -4.438 377 HE2 GLU 68 HE2 GLU 68 22.648 -0.618 -3.182 378 H GLU 69 H GLU 69 15.636 -0.642 -2.591 379 HA GLU 69 HA GLU 69 14.798 -1.975 -0.246 380 HB2 GLU 69 HB2 GLU 69 14.806 0.487 -0.422 381 HB3 GLU 69 HB3 GLU 69 13.638 0.426 -1.727 382 HG2 GLU 69 HG2 GLU 69 12.162 -0.929 0.013 383 HG3 GLU 69 HG3 GLU 69 13.227 -0.212 1.207 384 HE2 GLU 69 HE2 GLU 69 13.308 2.110 1.183 385 H LEU 70 H LEU 70 13.429 -1.441 -3.548 386 HA LEU 70 HA LEU 70 10.955 -2.635 -3.043 387 HB2 LEU 70 HB2 LEU 70 11.973 -1.208 -5.043 388 HB3 LEU 70 HB3 LEU 70 12.216 -2.799 -5.736 389 HG LEU 70 HG LEU 70 9.777 -1.229 -5.461 390 HD11 LEU 70 HD11 LEU 70 10.110 -1.828 -7.618 391 HD12 LEU 70 HD12 LEU 70 10.907 -3.361 -7.193 392 HD13 LEU 70 HD13 LEU 70 9.134 -3.232 -7.125 393 HD21 LEU 70 HD21 LEU 70 8.355 -3.352 -5.100 394 HD22 LEU 70 HD22 LEU 70 9.814 -4.019 -4.330 395 HD23 LEU 70 HD23 LEU 70 9.059 -2.545 -3.679 396 H VAL 71 H VAL 71 13.964 -3.996 -4.561 397 HA VAL 71 HA VAL 71 13.044 -6.561 -4.892 398 HB VAL 71 HB VAL 71 15.522 -7.137 -4.626 399 HG11 VAL 71 HG11 VAL 71 14.684 -4.978 -6.591 400 HG12 VAL 71 HG12 VAL 71 16.101 -6.042 -6.758 401 HG13 VAL 71 HG13 VAL 71 14.460 -6.732 -6.792 402 HG21 VAL 71 HG21 VAL 71 16.591 -4.555 -4.969 403 HG22 VAL 71 HG22 VAL 71 15.515 -4.448 -3.555 404 HG23 VAL 71 HG23 VAL 71 16.824 -5.653 -3.587 405 H LYS 72 H LYS 72 14.571 -5.026 -1.996 406 HA LYS 72 HA LYS 72 14.667 -7.335 -0.448 407 HB2 LYS 72 HB2 LYS 72 15.820 -5.115 -0.050 408 HB3 LYS 72 HB3 LYS 72 14.295 -4.502 0.555 409 HG2 LYS 72 HG2 LYS 72 15.417 -7.093 1.663 410 HG3 LYS 72 HG3 LYS 72 16.046 -5.561 2.235 411 HD2 LYS 72 HD2 LYS 72 13.437 -4.972 2.497 412 HD3 LYS 72 HD3 LYS 72 13.275 -6.716 2.557 413 HE2 LYS 72 HE2 LYS 72 15.306 -6.501 4.309 414 HE3 LYS 72 HE3 LYS 72 14.685 -4.872 4.487 415 HZ1 LYS 72 HZ1 LYS 72 13.167 -7.359 4.860 416 HZ2 LYS 72 HZ2 LYS 72 13.602 -6.294 6.019 417 HZ3 LYS 72 HZ3 LYS 72 12.496 -5.870 4.894 418 H LYS 73 H LYS 73 12.033 -5.029 -1.165 419 HA LYS 73 HA LYS 73 10.310 -6.078 0.843 420 HB2 LYS 73 HB2 LYS 73 9.922 -4.228 -1.515 421 HB3 LYS 73 HB3 LYS 73 8.586 -4.741 -0.504 422 HG2 LYS 73 HG2 LYS 73 11.081 -3.628 0.804 423 HG3 LYS 73 HG3 LYS 73 9.934 -2.521 0.074 424 HD2 LYS 73 HD2 LYS 73 8.138 -3.910 1.463 425 HD3 LYS 73 HD3 LYS 73 9.525 -4.397 2.417 426 HE2 LYS 73 HE2 LYS 73 9.982 -2.181 3.136 427 HE3 LYS 73 HE3 LYS 73 9.110 -1.459 1.799 428 HZ1 LYS 73 HZ1 LYS 73 7.247 -1.538 2.954 429 HZ2 LYS 73 HZ2 LYS 73 7.436 -3.105 3.375 430 HZ3 LYS 73 HZ3 LYS 73 8.127 -1.928 4.273 431 H VAL 74 H VAL 74 11.160 -6.889 -2.493 432 HA VAL 74 HA VAL 74 8.856 -8.383 -3.087 433 HB VAL 74 HB VAL 74 11.693 -8.544 -4.123 434 HG11 VAL 74 HG11 VAL 74 11.096 -10.256 -5.421 435 HG12 VAL 74 HG12 VAL 74 9.544 -10.335 -4.554 436 HG13 VAL 74 HG13 VAL 74 9.690 -9.352 -6.031 437 HG21 VAL 74 HG21 VAL 74 9.501 -7.328 -5.723 438 HG22 VAL 74 HG22 VAL 74 10.058 -6.405 -4.307 439 HG23 VAL 74 HG23 VAL 74 11.214 -6.866 -5.580 440 H VAL 75 H VAL 75 12.123 -9.318 -1.813 441 HA VAL 75 HA VAL 75 11.489 -12.037 -1.563 442 HB VAL 75 HB VAL 75 13.752 -11.254 -1.675 443 HG11 VAL 75 HG11 VAL 75 13.046 -9.689 0.814 444 HG12 VAL 75 HG12 VAL 75 14.731 -10.067 0.382 445 HG13 VAL 75 HG13 VAL 75 13.725 -9.099 -0.722 446 HG21 VAL 75 HG21 VAL 75 14.503 -12.196 0.745 447 HG22 VAL 75 HG22 VAL 75 12.820 -12.773 0.702 448 HG23 VAL 75 HG23 VAL 75 13.952 -13.238 -0.589 449 H ALA 76 H ALA 76 11.119 -9.197 0.604 450 HA ALA 76 HA ALA 76 10.478 -10.621 2.917 451 HB1 ALA 76 HB1 ALA 76 10.952 -8.038 2.324 452 HB2 ALA 76 HB2 ALA 76 9.173 -7.987 2.366 453 HB3 ALA 76 HB3 ALA 76 10.082 -8.536 3.794 454 H VAL 77 H VAL 77 8.515 -9.505 0.115 455 HA VAL 77 HA VAL 77 6.035 -10.195 1.270 456 HB VAL 77 HB VAL 77 6.893 -9.869 -1.613 457 HG11 VAL 77 HG11 VAL 77 4.092 -9.314 -0.835 458 HG12 VAL 77 HG12 VAL 77 4.749 -10.097 -2.292 459 HG13 VAL 77 HG13 VAL 77 4.570 -11.027 -0.785 460 HG21 VAL 77 HG21 VAL 77 6.820 -7.648 -1.334 461 HG22 VAL 77 HG22 VAL 77 5.294 -7.733 -0.423 462 HG23 VAL 77 HG23 VAL 77 6.845 -7.968 0.417 463 H CYS 78 H CYS 78 8.281 -11.880 -1.023 464 HA CYS 78 HA CYS 78 6.734 -14.109 -1.441 465 HB2 CYS 78 HB2 CYS 78 8.544 -14.959 -2.524 466 HB3 CYS 78 HB3 CYS 78 9.100 -13.302 -2.392 467 HG CYS 78 HG CYS 78 9.706 -15.884 -0.412 468 H GLU 79 H GLU 79 9.056 -13.273 1.196 469 HA GLU 79 HA GLU 79 8.770 -15.803 2.433 470 HB2 GLU 79 HB2 GLU 79 10.788 -14.235 2.589 471 HB3 GLU 79 HB3 GLU 79 9.841 -13.235 3.673 472 HG2 GLU 79 HG2 GLU 79 9.492 -15.287 5.146 473 HG3 GLU 79 HG3 GLU 79 10.603 -16.160 4.109 474 HE2 GLU 79 HE2 GLU 79 12.271 -12.976 5.880 475 H GLU 80 H GLU 80 7.118 -12.676 2.555 476 HA GLU 80 HA GLU 80 5.897 -13.170 5.060 477 HB2 GLU 80 HB2 GLU 80 6.250 -10.878 4.283 478 HB3 GLU 80 HB3 GLU 80 5.297 -11.168 2.841 479 HG2 GLU 80 HG2 GLU 80 3.258 -11.471 4.163 480 HG3 GLU 80 HG3 GLU 80 4.164 -11.438 5.662 481 HE2 GLU 80 HE2 GLU 80 2.242 -9.742 4.024 482 H LEU 81 H LEU 81 5.363 -14.211 1.785 483 HA LEU 81 HA LEU 81 2.540 -14.666 2.155 484 HB2 LEU 81 HB2 LEU 81 4.498 -15.216 -0.067 485 HB3 LEU 81 HB3 LEU 81 2.850 -15.810 -0.106 486 HG LEU 81 HG LEU 81 3.847 -12.978 -0.256 487 HD11 LEU 81 HD11 LEU 81 2.723 -14.901 -2.070 488 HD12 LEU 81 HD12 LEU 81 1.660 -13.476 -1.972 489 HD13 LEU 81 HD13 LEU 81 3.376 -13.278 -2.401 490 HD21 LEU 81 HD21 LEU 81 2.249 -12.602 1.378 491 HD22 LEU 81 HD22 LEU 81 1.324 -12.374 -0.125 492 HD23 LEU 81 HD23 LEU 81 1.182 -13.897 0.786 493 H GLY 82 H GLY 82 5.510 -16.205 2.982 494 HA2 GLY 82 HA2 GLY 82 6.047 -18.362 3.488 495 HA3 GLY 82 HA3 GLY 82 4.617 -18.199 4.487 496 H ALA 83 H ALA 83 4.623 -18.187 0.892 497 HA ALA 83 HA ALA 83 3.178 -20.746 1.009 498 HB1 ALA 83 HB1 ALA 83 1.611 -19.911 -0.425 499 HB2 ALA 83 HB2 ALA 83 2.152 -18.346 0.230 500 HB3 ALA 83 HB3 ALA 83 2.800 -18.934 -1.321 501 H GLU 84 H GLU 84 4.003 -22.426 -0.172 502 HA GLU 84 HA GLU 84 5.802 -21.798 -2.327 503 HB2 GLU 84 HB2 GLU 84 7.428 -23.603 -1.329 504 HB3 GLU 84 HB3 GLU 84 7.511 -21.956 -0.737 505 HG2 GLU 84 HG2 GLU 84 5.677 -23.946 0.630 506 HG3 GLU 84 HG3 GLU 84 7.394 -23.969 0.981 507 HE2 GLU 84 HE2 GLU 84 8.213 -22.180 2.096 508 H GLU 85 H GLU 85 3.078 -22.907 -2.066 509 HA GLU 85 HA GLU 85 3.080 -24.800 -3.915 510 HB2 GLU 85 HB2 GLU 85 2.706 -26.951 -2.483 511 HB3 GLU 85 HB3 GLU 85 4.350 -26.427 -2.792 512 HG2 GLU 85 HG2 GLU 85 4.686 -25.690 -0.596 513 HG3 GLU 85 HG3 GLU 85 2.991 -25.329 -0.338 514 HE2 GLU 85 HE2 GLU 85 2.905 -29.045 -0.836 515 H CYS 86 H CYS 86 0.930 -25.843 -4.189 516 HA CYS 86 HA CYS 86 -1.050 -24.447 -2.552 517 HB2 CYS 86 HB2 CYS 86 -1.025 -23.995 -5.025 518 HB3 CYS 86 HB3 CYS 86 -1.436 -25.676 -5.300 519 H PHE 87 H PHE 87 -2.388 -25.674 -1.238 520 HA PHE 87 HA PHE 87 -1.929 -28.529 -1.236 521 HB2 PHE 87 HB2 PHE 87 -2.778 -28.340 0.980 522 HB3 PHE 87 HB3 PHE 87 -2.122 -26.732 0.747 523 HD1 PHE 87 HD1 PHE 87 -3.600 -24.820 0.418 524 HD2 PHE 87 HD2 PHE 87 -5.175 -28.711 1.037 525 HE1 PHE 87 HE1 PHE 87 -5.854 -23.830 0.906 526 HE2 PHE 87 HE2 PHE 87 -7.430 -27.721 1.525 527 HZ PHE 87 HZ PHE 87 -7.742 -25.292 1.453 528 H SER 88 H SER 88 -4.510 -26.146 -1.947 529 HA SER 88 HA SER 88 -6.593 -27.978 -2.017 530 HB2 SER 88 HB2 SER 88 -6.258 -25.356 -3.543 531 HB3 SER 88 HB3 SER 88 -7.775 -26.211 -3.345 532 HG SER 88 HG SER 88 -7.454 -25.978 -0.978 533 H CYS 89 H CYS 89 -4.163 -26.916 -4.432 534 HA CYS 89 HA CYS 89 -5.398 -28.040 -6.667 535 HB2 CYS 89 HB2 CYS 89 -2.653 -27.069 -5.998 536 HB3 CYS 89 HB3 CYS 89 -2.815 -28.113 -7.396 537 H ASP 90 H ASP 90 -3.903 -29.404 -3.853 538 HA ASP 90 HA ASP 90 -3.400 -31.890 -5.272 539 HB2 ASP 90 HB2 ASP 90 -1.762 -32.342 -3.719 540 HB3 ASP 90 HB3 ASP 90 -1.778 -30.600 -3.528 541 HD2 ASP 90 HD2 ASP 90 -2.126 -31.017 -0.236 542 H PHE 91 H PHE 91 -5.707 -30.215 -3.395 543 HA PHE 91 HA PHE 91 -6.621 -32.507 -1.896 544 HB2 PHE 91 HB2 PHE 91 -6.674 -30.155 -1.003 545 HB3 PHE 91 HB3 PHE 91 -7.638 -29.641 -2.374 546 HD1 PHE 91 HD1 PHE 91 -7.685 -31.732 0.675 547 HD2 PHE 91 HD2 PHE 91 -9.993 -29.883 -2.368 548 HE1 PHE 91 HE1 PHE 91 -9.781 -32.230 1.962 549 HE2 PHE 91 HE2 PHE 91 -12.089 -30.381 -1.081 550 HZ PHE 91 HZ PHE 91 -11.958 -31.549 1.069 551 H ASP 92 H ASP 92 -8.857 -33.326 -2.074 552 HA ASP 92 HA ASP 92 -9.744 -33.141 -4.842 553 HB2 ASP 92 HB2 ASP 92 -10.971 -35.346 -4.187 554 HB3 ASP 92 HB3 ASP 92 -9.239 -35.412 -4.444 555 HD2 ASP 92 HD2 ASP 92 -8.243 -36.310 -1.643
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