NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25568 | 2ka0 | 16007 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 11.114 -5.077 6.308 2 HA MET 1 HA MET 1 12.720 -4.401 4.535 3 HB2 MET 1 HB2 MET 1 12.303 -6.164 2.935 4 HB3 MET 1 HB3 MET 1 10.599 -5.760 2.788 5 HG2 MET 1 HG2 MET 1 11.135 -3.676 1.683 6 HG3 MET 1 HG3 MET 1 12.854 -3.871 2.027 7 HE1 MET 1 HE1 MET 1 13.605 -6.837 1.237 8 HE2 MET 1 HE2 MET 1 13.996 -6.625 -0.468 9 HE3 MET 1 HE3 MET 1 14.493 -5.396 0.712 10 H ARG 2 H ARG 2 12.567 -2.359 4.817 11 HA ARG 2 HA ARG 2 9.943 -1.100 5.156 12 HB2 ARG 2 HB2 ARG 2 12.831 -0.106 5.227 13 HB3 ARG 2 HB3 ARG 2 11.371 0.933 5.414 14 HG2 ARG 2 HG2 ARG 2 10.709 -0.889 7.151 15 HG3 ARG 2 HG3 ARG 2 12.430 -1.176 7.275 16 HD2 ARG 2 HD2 ARG 2 12.765 0.916 8.288 17 HD3 ARG 2 HD3 ARG 2 11.380 1.663 7.469 18 HE ARG 2 HE ARG 2 10.606 -0.490 9.174 19 HH11 ARG 2 HH11 ARG 2 10.939 3.086 8.974 20 HH12 ARG 2 HH12 ARG 2 9.661 3.306 10.163 21 HH21 ARG 2 HH21 ARG 2 9.250 -0.050 11.012 22 HH22 ARG 2 HH22 ARG 2 8.682 1.616 11.205 23 H VAL 3 H VAL 3 9.282 0.681 3.949 24 HA VAL 3 HA VAL 3 10.559 1.387 1.461 25 HB VAL 3 HB VAL 3 7.788 0.129 1.592 26 HG11 VAL 3 HG11 VAL 3 7.768 2.111 0.072 27 HG12 VAL 3 HG12 VAL 3 9.066 1.356 -0.875 28 HG13 VAL 3 HG13 VAL 3 7.477 0.575 -0.751 29 HG21 VAL 3 HG21 VAL 3 9.456 -1.601 1.291 30 HG22 VAL 3 HG22 VAL 3 8.760 -1.324 -0.307 31 HG23 VAL 3 HG23 VAL 3 10.358 -0.613 0.115 32 H GLU 4 H GLU 4 10.374 3.644 1.382 33 HA GLU 4 HA GLU 4 8.414 5.012 3.199 34 HB2 GLU 4 HB2 GLU 4 10.696 5.532 3.805 35 HB3 GLU 4 HB3 GLU 4 11.132 5.889 2.145 36 HG2 GLU 4 HG2 GLU 4 9.777 7.875 2.110 37 HG3 GLU 4 HG3 GLU 4 8.939 7.436 3.583 38 H LEU 5 H LEU 5 6.879 6.309 2.260 39 HA LEU 5 HA LEU 5 6.995 6.776 -0.675 40 HB2 LEU 5 HB2 LEU 5 4.675 6.493 1.286 41 HB3 LEU 5 HB3 LEU 5 4.520 6.978 -0.387 42 HG LEU 5 HG LEU 5 5.399 4.776 -1.103 43 HD11 LEU 5 HD11 LEU 5 5.327 4.099 1.843 44 HD12 LEU 5 HD12 LEU 5 6.653 3.884 0.673 45 HD13 LEU 5 HD13 LEU 5 5.230 2.870 0.566 46 HD21 LEU 5 HD21 LEU 5 2.948 4.789 0.716 47 HD22 LEU 5 HD22 LEU 5 3.277 3.532 -0.479 48 HD23 LEU 5 HD23 LEU 5 2.979 5.200 -1.010 49 H LEU 6 H LEU 6 7.828 8.738 -0.843 50 HA LEU 6 HA LEU 6 6.871 10.992 0.838 51 HB2 LEU 6 HB2 LEU 6 9.020 10.467 -1.204 52 HB3 LEU 6 HB3 LEU 6 8.305 12.054 -1.190 53 HG LEU 6 HG LEU 6 9.051 10.987 1.504 54 HD11 LEU 6 HD11 LEU 6 11.206 11.841 -0.488 55 HD12 LEU 6 HD12 LEU 6 10.975 10.206 0.170 56 HD13 LEU 6 HD13 LEU 6 11.445 11.517 1.254 57 HD21 LEU 6 HD21 LEU 6 8.178 13.276 1.194 58 HD22 LEU 6 HD22 LEU 6 9.514 13.660 0.092 59 HD23 LEU 6 HD23 LEU 6 9.843 13.326 1.806 60 H PHE 7 H PHE 7 5.388 12.463 0.050 61 HA PHE 7 HA PHE 7 4.433 12.278 -2.761 62 HB2 PHE 7 HB2 PHE 7 2.706 13.142 -0.422 63 HB3 PHE 7 HB3 PHE 7 2.215 12.684 -2.030 64 HD1 PHE 7 HD1 PHE 7 1.999 10.257 -2.643 65 HD2 PHE 7 HD2 PHE 7 3.044 11.526 1.315 66 HE1 PHE 7 HE1 PHE 7 1.607 7.994 -1.834 67 HE2 PHE 7 HE2 PHE 7 2.691 9.229 2.193 68 HZ PHE 7 HZ PHE 7 2.020 7.417 0.585 69 H GLU 8 H GLU 8 3.276 14.462 -3.155 70 HA GLU 8 HA GLU 8 4.918 16.751 -2.613 71 HB2 GLU 8 HB2 GLU 8 2.113 16.268 -3.648 72 HB3 GLU 8 HB3 GLU 8 2.749 17.899 -3.493 73 HG2 GLU 8 HG2 GLU 8 4.456 15.880 -4.951 74 HG3 GLU 8 HG3 GLU 8 2.978 16.396 -5.735 75 H SER 9 H SER 9 1.716 15.744 -1.261 76 HA SER 9 HA SER 9 1.559 18.049 0.434 77 HB2 SER 9 HB2 SER 9 0.015 15.453 0.316 78 HB3 SER 9 HB3 SER 9 -0.337 16.677 1.528 79 HG SER 9 HG SER 9 -0.351 17.277 -1.273 80 H GLY 10 H GLY 10 3.024 14.834 0.997 81 HA2 GLY 10 HA2 GLY 10 4.167 15.469 3.496 82 HA3 GLY 10 HA3 GLY 10 2.636 14.603 3.777 83 H LYS 11 H LYS 11 3.684 12.638 4.529 84 HA LYS 11 HA LYS 11 4.652 10.876 2.458 85 HB2 LYS 11 HB2 LYS 11 6.871 10.464 3.386 86 HB3 LYS 11 HB3 LYS 11 6.667 12.069 2.696 87 HG2 LYS 11 HG2 LYS 11 6.437 13.026 4.988 88 HG3 LYS 11 HG3 LYS 11 6.778 11.411 5.668 89 HD2 LYS 11 HD2 LYS 11 8.965 11.402 4.524 90 HD3 LYS 11 HD3 LYS 11 8.543 12.913 3.694 91 HE2 LYS 11 HE2 LYS 11 8.329 13.962 6.042 92 HE3 LYS 11 HE3 LYS 11 9.193 12.522 6.617 93 HZ1 LYS 11 HZ1 LYS 11 10.114 14.504 4.631 94 HZ2 LYS 11 HZ2 LYS 11 10.927 13.089 4.938 95 HZ3 LYS 11 HZ3 LYS 11 10.762 14.236 6.110 96 H CYS 12 H CYS 12 5.187 8.782 3.305 97 HA CYS 12 HA CYS 12 4.528 8.123 6.089 98 HB2 CYS 12 HB2 CYS 12 2.869 6.501 5.572 99 HB3 CYS 12 HB3 CYS 12 2.353 8.013 4.794 100 HG CYS 12 HG CYS 12 1.627 5.954 3.402 101 H VAL 13 H VAL 13 4.795 5.666 6.282 102 HA VAL 13 HA VAL 13 6.810 4.612 4.437 103 HB VAL 13 HB VAL 13 7.354 4.545 7.408 104 HG11 VAL 13 HG11 VAL 13 9.424 4.301 5.220 105 HG12 VAL 13 HG12 VAL 13 9.465 3.674 6.868 106 HG13 VAL 13 HG13 VAL 13 8.415 2.940 5.626 107 HG21 VAL 13 HG21 VAL 13 9.141 6.200 7.187 108 HG22 VAL 13 HG22 VAL 13 8.677 6.495 5.506 109 HG23 VAL 13 HG23 VAL 13 7.584 6.932 6.816 110 H ILE 14 H ILE 14 6.626 2.380 4.297 111 HA ILE 14 HA ILE 14 4.628 1.079 6.035 112 HB ILE 14 HB ILE 14 3.633 0.056 4.116 113 HG12 ILE 14 HG12 ILE 14 5.669 1.511 2.380 114 HG13 ILE 14 HG13 ILE 14 5.606 -0.218 2.688 115 HG21 ILE 14 HG21 ILE 14 3.847 3.021 3.402 116 HG22 ILE 14 HG22 ILE 14 2.480 1.924 3.130 117 HG23 ILE 14 HG23 ILE 14 2.890 2.407 4.769 118 HD11 ILE 14 HD11 ILE 14 3.393 -0.356 1.578 119 HD12 ILE 14 HD12 ILE 14 3.520 1.368 1.143 120 HD13 ILE 14 HD13 ILE 14 4.691 0.179 0.509 121 H ASP 15 H ASP 15 5.143 -1.001 6.492 122 HA ASP 15 HA ASP 15 7.745 -2.061 5.347 123 HB2 ASP 15 HB2 ASP 15 7.567 -1.022 7.887 124 HB3 ASP 15 HB3 ASP 15 6.874 -2.566 8.235 125 H LEU 16 H LEU 16 7.903 -3.887 4.534 126 HA LEU 16 HA LEU 16 5.544 -5.638 4.749 127 HB2 LEU 16 HB2 LEU 16 7.440 -5.499 2.413 128 HB3 LEU 16 HB3 LEU 16 5.757 -5.906 2.485 129 HG LEU 16 HG LEU 16 6.035 -3.945 1.374 130 HD11 LEU 16 HD11 LEU 16 4.602 -2.304 2.366 131 HD12 LEU 16 HD12 LEU 16 4.788 -3.080 3.935 132 HD13 LEU 16 HD13 LEU 16 4.004 -3.954 2.587 133 HD21 LEU 16 HD21 LEU 16 8.172 -3.353 2.009 134 HD22 LEU 16 HD22 LEU 16 7.441 -2.382 3.321 135 HD23 LEU 16 HD23 LEU 16 7.029 -2.023 1.647 136 H ASN 17 H ASN 17 5.812 -7.625 5.074 137 HA ASN 17 HA ASN 17 8.188 -8.711 6.326 138 HB2 ASN 17 HB2 ASN 17 5.732 -9.155 6.915 139 HB3 ASN 17 HB3 ASN 17 5.632 -10.061 5.411 140 HD21 ASN 17 HD21 ASN 17 5.535 -12.239 5.904 141 HD22 ASN 17 HD22 ASN 17 6.534 -13.006 7.131 142 H GLU 18 H GLU 18 9.848 -9.885 5.298 143 HA GLU 18 HA GLU 18 9.832 -9.953 2.402 144 HB2 GLU 18 HB2 GLU 18 11.849 -10.484 4.602 145 HB3 GLU 18 HB3 GLU 18 12.224 -10.943 2.932 146 HG2 GLU 18 HG2 GLU 18 11.808 -8.673 2.137 147 HG3 GLU 18 HG3 GLU 18 11.356 -8.165 3.760 148 H GLU 19 H GLU 19 8.087 -12.023 3.983 149 HA GLU 19 HA GLU 19 9.457 -14.563 3.315 150 HB2 GLU 19 HB2 GLU 19 6.792 -13.962 4.672 151 HB3 GLU 19 HB3 GLU 19 7.386 -15.582 4.298 152 HG2 GLU 19 HG2 GLU 19 9.408 -15.201 5.674 153 HG3 GLU 19 HG3 GLU 19 8.781 -13.604 6.145 154 H TYR 20 H TYR 20 7.709 -12.217 1.742 155 HA TYR 20 HA TYR 20 6.001 -14.087 0.228 156 HB2 TYR 20 HB2 TYR 20 5.756 -11.099 0.611 157 HB3 TYR 20 HB3 TYR 20 4.561 -12.181 -0.063 158 HD1 TYR 20 HD1 TYR 20 4.228 -14.380 1.811 159 HD2 TYR 20 HD2 TYR 20 4.948 -10.204 2.578 160 HE1 TYR 20 HE1 TYR 20 3.042 -14.574 3.979 161 HE2 TYR 20 HE2 TYR 20 3.707 -10.368 4.687 162 HH TYR 20 HH TYR 20 2.687 -13.385 6.128 163 H GLU 21 H GLU 21 6.186 -14.239 -1.879 164 HA GLU 21 HA GLU 21 8.495 -13.608 -3.264 165 HB2 GLU 21 HB2 GLU 21 6.533 -15.270 -3.802 166 HB3 GLU 21 HB3 GLU 21 5.810 -13.913 -4.669 167 HG2 GLU 21 HG2 GLU 21 6.960 -14.764 -6.402 168 HG3 GLU 21 HG3 GLU 21 8.289 -13.817 -5.770 169 H VAL 22 H VAL 22 5.394 -11.838 -3.341 170 HA VAL 22 HA VAL 22 6.040 -9.833 -5.210 171 HB VAL 22 HB VAL 22 3.796 -10.240 -4.446 172 HG11 VAL 22 HG11 VAL 22 4.582 -9.190 -1.700 173 HG12 VAL 22 HG12 VAL 22 2.967 -9.655 -2.217 174 HG13 VAL 22 HG13 VAL 22 4.210 -10.878 -2.090 175 HG21 VAL 22 HG21 VAL 22 4.336 -7.966 -5.268 176 HG22 VAL 22 HG22 VAL 22 3.003 -7.948 -4.110 177 HG23 VAL 22 HG23 VAL 22 4.605 -7.428 -3.602 178 H VAL 23 H VAL 23 6.942 -9.896 -1.700 179 HA VAL 23 HA VAL 23 7.847 -7.133 -1.676 180 HB VAL 23 HB VAL 23 8.391 -9.465 0.198 181 HG11 VAL 23 HG11 VAL 23 9.052 -7.734 1.836 182 HG12 VAL 23 HG12 VAL 23 10.156 -7.761 0.449 183 HG13 VAL 23 HG13 VAL 23 8.925 -6.482 0.579 184 HG21 VAL 23 HG21 VAL 23 6.421 -7.119 0.288 185 HG22 VAL 23 HG22 VAL 23 6.013 -8.845 0.146 186 HG23 VAL 23 HG23 VAL 23 6.732 -8.235 1.637 187 H LYS 24 H LYS 24 9.448 -10.397 -2.108 188 HA LYS 24 HA LYS 24 12.057 -9.405 -2.479 189 HB2 LYS 24 HB2 LYS 24 10.809 -11.859 -3.772 190 HB3 LYS 24 HB3 LYS 24 12.510 -11.591 -3.393 191 HG2 LYS 24 HG2 LYS 24 11.979 -11.615 -0.958 192 HG3 LYS 24 HG3 LYS 24 10.274 -11.865 -1.319 193 HD2 LYS 24 HD2 LYS 24 10.876 -13.980 -2.538 194 HD3 LYS 24 HD3 LYS 24 12.527 -13.734 -1.946 195 HE2 LYS 24 HE2 LYS 24 11.542 -13.679 0.420 196 HE3 LYS 24 HE3 LYS 24 9.989 -14.113 -0.283 197 HZ1 LYS 24 HZ1 LYS 24 11.210 -16.124 -1.188 198 HZ2 LYS 24 HZ2 LYS 24 10.981 -16.091 0.449 199 HZ3 LYS 24 HZ3 LYS 24 12.444 -15.729 -0.183 200 H LEU 25 H LEU 25 9.350 -9.757 -4.767 201 HA LEU 25 HA LEU 25 11.038 -9.260 -7.111 202 HB2 LEU 25 HB2 LEU 25 8.058 -9.672 -6.640 203 HB3 LEU 25 HB3 LEU 25 8.647 -9.133 -8.205 204 HG LEU 25 HG LEU 25 9.638 -11.688 -6.858 205 HD11 LEU 25 HD11 LEU 25 8.198 -12.880 -8.467 206 HD12 LEU 25 HD12 LEU 25 7.511 -11.330 -9.015 207 HD13 LEU 25 HD13 LEU 25 7.261 -11.900 -7.345 208 HD21 LEU 25 HD21 LEU 25 10.353 -12.192 -9.244 209 HD22 LEU 25 HD22 LEU 25 11.248 -10.877 -8.481 210 HD23 LEU 25 HD23 LEU 25 9.973 -10.496 -9.647 211 H LEU 26 H LEU 26 8.918 -7.395 -5.024 212 HA LEU 26 HA LEU 26 8.921 -4.926 -6.454 213 HB2 LEU 26 HB2 LEU 26 8.448 -5.906 -3.662 214 HB3 LEU 26 HB3 LEU 26 9.014 -4.283 -3.764 215 HG LEU 26 HG LEU 26 6.583 -5.292 -5.307 216 HD11 LEU 26 HD11 LEU 26 6.701 -3.880 -2.629 217 HD12 LEU 26 HD12 LEU 26 6.175 -5.547 -2.917 218 HD13 LEU 26 HD13 LEU 26 5.218 -4.198 -3.555 219 HD21 LEU 26 HD21 LEU 26 7.622 -3.163 -6.190 220 HD22 LEU 26 HD22 LEU 26 7.451 -2.450 -4.584 221 HD23 LEU 26 HD23 LEU 26 6.007 -2.904 -5.514 222 H LYS 27 H LYS 27 11.502 -6.611 -4.742 223 HA LYS 27 HA LYS 27 12.973 -4.291 -4.031 224 HB2 LYS 27 HB2 LYS 27 13.206 -6.768 -3.258 225 HB3 LYS 27 HB3 LYS 27 14.194 -6.980 -4.717 226 HG2 LYS 27 HG2 LYS 27 15.666 -5.066 -3.805 227 HG3 LYS 27 HG3 LYS 27 14.694 -5.143 -2.326 228 HD2 LYS 27 HD2 LYS 27 16.555 -6.545 -1.840 229 HD3 LYS 27 HD3 LYS 27 15.287 -7.672 -2.297 230 HE2 LYS 27 HE2 LYS 27 16.955 -8.481 -3.642 231 HE3 LYS 27 HE3 LYS 27 16.247 -7.278 -4.739 232 HZ1 LYS 27 HZ1 LYS 27 18.006 -5.763 -4.146 233 HZ2 LYS 27 HZ2 LYS 27 18.669 -7.154 -4.651 234 HZ3 LYS 27 HZ3 LYS 27 18.614 -6.795 -3.032 235 H GLU 28 H GLU 28 12.447 -5.829 -7.105 236 HA GLU 28 HA GLU 28 14.793 -4.692 -8.424 237 HB2 GLU 28 HB2 GLU 28 12.258 -6.047 -9.439 238 HB3 GLU 28 HB3 GLU 28 13.621 -5.600 -10.471 239 HG2 GLU 28 HG2 GLU 28 13.908 -7.460 -8.061 240 HG3 GLU 28 HG3 GLU 28 13.493 -7.999 -9.659 241 H LYS 29 H LYS 29 11.757 -3.504 -7.447 242 HA LYS 29 HA LYS 29 11.666 -1.471 -9.644 243 HB2 LYS 29 HB2 LYS 29 9.378 -2.870 -8.204 244 HB3 LYS 29 HB3 LYS 29 9.238 -1.625 -9.435 245 HG2 LYS 29 HG2 LYS 29 10.309 -4.435 -9.893 246 HG3 LYS 29 HG3 LYS 29 8.734 -3.782 -10.365 247 HD2 LYS 29 HD2 LYS 29 10.044 -1.996 -11.700 248 HD3 LYS 29 HD3 LYS 29 11.456 -3.057 -11.496 249 HE2 LYS 29 HE2 LYS 29 10.155 -4.933 -12.537 250 HE3 LYS 29 HE3 LYS 29 8.759 -3.862 -12.689 251 HZ1 LYS 29 HZ1 LYS 29 11.307 -3.683 -14.152 252 HZ2 LYS 29 HZ2 LYS 29 10.340 -2.368 -14.009 253 HZ3 LYS 29 HZ3 LYS 29 9.746 -3.672 -14.740 254 H ILE 30 H ILE 30 13.015 -1.083 -7.011 255 HA ILE 30 HA ILE 30 11.403 1.224 -6.125 256 HB ILE 30 HB ILE 30 12.612 -0.890 -4.323 257 HG12 ILE 30 HG12 ILE 30 9.757 0.179 -4.294 258 HG13 ILE 30 HG13 ILE 30 10.223 -1.249 -5.203 259 HG21 ILE 30 HG21 ILE 30 11.352 1.737 -3.415 260 HG22 ILE 30 HG22 ILE 30 12.082 0.486 -2.391 261 HG23 ILE 30 HG23 ILE 30 13.106 1.428 -3.450 262 HD11 ILE 30 HD11 ILE 30 11.002 -2.365 -3.139 263 HD12 ILE 30 HD12 ILE 30 10.447 -0.965 -2.194 264 HD13 ILE 30 HD13 ILE 30 9.280 -1.935 -3.093 265 HA PRO 31 HA PRO 31 11.927 3.201 -5.028 266 HB2 PRO 31 HB2 PRO 31 12.738 5.601 -6.182 267 HB3 PRO 31 HB3 PRO 31 13.109 5.079 -4.530 268 HG2 PRO 31 HG2 PRO 31 14.913 5.183 -6.836 269 HG3 PRO 31 HG3 PRO 31 15.257 5.159 -5.073 270 HD2 PRO 31 HD2 PRO 31 15.475 2.988 -6.903 271 HD3 PRO 31 HD3 PRO 31 15.559 2.890 -5.126 272 H PHE 32 H PHE 32 10.207 4.421 -6.163 273 HA PHE 32 HA PHE 32 10.236 4.510 -8.980 274 HB2 PHE 32 HB2 PHE 32 8.440 3.104 -9.582 275 HB3 PHE 32 HB3 PHE 32 9.582 2.124 -8.734 276 HD1 PHE 32 HD1 PHE 32 9.037 1.509 -6.286 277 HD2 PHE 32 HD2 PHE 32 6.190 3.262 -8.961 278 HE1 PHE 32 HE1 PHE 32 7.216 0.326 -5.095 279 HE2 PHE 32 HE2 PHE 32 4.328 2.242 -7.693 280 HZ PHE 32 HZ PHE 32 4.845 0.656 -5.802 281 H GLU 33 H GLU 33 8.130 5.547 -9.795 282 HA GLU 33 HA GLU 33 6.914 7.183 -7.609 283 HB2 GLU 33 HB2 GLU 33 7.520 7.931 -10.467 284 HB3 GLU 33 HB3 GLU 33 6.687 8.967 -9.321 285 HG2 GLU 33 HG2 GLU 33 8.676 9.252 -7.998 286 HG3 GLU 33 HG3 GLU 33 9.554 8.025 -8.937 287 H SER 34 H SER 34 4.689 8.061 -8.267 288 HA SER 34 HA SER 34 3.282 6.733 -10.394 289 HB2 SER 34 HB2 SER 34 3.597 5.094 -8.218 290 HB3 SER 34 HB3 SER 34 2.087 5.887 -7.805 291 HG SER 34 HG SER 34 2.759 4.601 -10.279 292 H VAL 35 H VAL 35 1.029 7.213 -10.409 293 HA VAL 35 HA VAL 35 0.256 9.847 -9.374 294 HB VAL 35 HB VAL 35 -1.657 7.777 -10.538 295 HG11 VAL 35 HG11 VAL 35 -2.623 9.844 -9.607 296 HG12 VAL 35 HG12 VAL 35 -1.593 10.818 -10.677 297 HG13 VAL 35 HG13 VAL 35 -2.851 9.762 -11.353 298 HG21 VAL 35 HG21 VAL 35 0.115 7.749 -12.144 299 HG22 VAL 35 HG22 VAL 35 -1.244 8.662 -12.800 300 HG23 VAL 35 HG23 VAL 35 0.185 9.532 -12.177 301 H VAL 36 H VAL 36 -0.883 10.093 -7.474 302 HA VAL 36 HA VAL 36 -1.347 7.736 -5.764 303 HB VAL 36 HB VAL 36 -1.704 10.779 -5.271 304 HG11 VAL 36 HG11 VAL 36 -1.300 8.531 -3.300 305 HG12 VAL 36 HG12 VAL 36 -1.536 10.220 -2.906 306 HG13 VAL 36 HG13 VAL 36 -2.872 9.325 -3.645 307 HG21 VAL 36 HG21 VAL 36 0.404 10.929 -4.177 308 HG22 VAL 36 HG22 VAL 36 0.718 9.202 -4.367 309 HG23 VAL 36 HG23 VAL 36 0.724 10.275 -5.784 310 H ASN 37 H ASN 37 -3.233 6.753 -6.411 311 HA ASN 37 HA ASN 37 -5.521 8.385 -7.371 312 HB2 ASN 37 HB2 ASN 37 -5.183 5.365 -7.125 313 HB3 ASN 37 HB3 ASN 37 -6.508 6.222 -7.911 314 HD21 ASN 37 HD21 ASN 37 -3.861 4.430 -8.688 315 HD22 ASN 37 HD22 ASN 37 -3.377 5.243 -10.169 316 H THR 38 H THR 38 -7.572 8.110 -6.210 317 HA THR 38 HA THR 38 -7.293 7.335 -3.323 318 HB THR 38 HB THR 38 -8.763 9.338 -2.886 319 HG1 THR 38 HG1 THR 38 -8.081 9.937 -5.594 320 HG21 THR 38 HG21 THR 38 -5.980 9.898 -4.004 321 HG22 THR 38 HG22 THR 38 -6.472 9.617 -2.324 322 HG23 THR 38 HG23 THR 38 -6.966 11.090 -3.136 323 H TRP 39 H TRP 39 -9.322 6.416 -2.341 324 HA TRP 39 HA TRP 39 -11.720 6.559 -4.033 325 HB2 TRP 39 HB2 TRP 39 -10.727 4.541 -4.885 326 HB3 TRP 39 HB3 TRP 39 -10.396 3.940 -3.272 327 HD1 TRP 39 HD1 TRP 39 -13.476 4.847 -5.424 328 HE1 TRP 39 HE1 TRP 39 -15.202 2.992 -5.189 329 HE3 TRP 39 HE3 TRP 39 -11.154 2.072 -1.853 330 HZ2 TRP 39 HZ2 TRP 39 -15.469 0.487 -3.727 331 HZ3 TRP 39 HZ3 TRP 39 -12.064 -0.118 -1.141 332 HH2 TRP 39 HH2 TRP 39 -14.184 -0.944 -2.111 333 H GLY 40 H GLY 40 -12.663 7.811 -2.481 334 HA2 GLY 40 HA2 GLY 40 -13.846 8.243 -0.602 335 HA3 GLY 40 HA3 GLY 40 -13.681 6.548 -0.119 336 H GLU 41 H GLU 41 -11.651 5.924 0.924 337 HA GLU 41 HA GLU 41 -10.182 8.014 2.369 338 HB2 GLU 41 HB2 GLU 41 -12.056 6.045 3.771 339 HB3 GLU 41 HB3 GLU 41 -10.781 6.967 4.593 340 HG2 GLU 41 HG2 GLU 41 -11.782 9.078 3.611 341 HG3 GLU 41 HG3 GLU 41 -13.165 8.119 3.119 342 H GLU 42 H GLU 42 -9.559 6.015 0.342 343 HA GLU 42 HA GLU 42 -7.271 4.909 1.771 344 HB2 GLU 42 HB2 GLU 42 -7.469 2.756 1.020 345 HB3 GLU 42 HB3 GLU 42 -9.172 3.161 1.218 346 HG2 GLU 42 HG2 GLU 42 -9.469 3.502 -1.138 347 HG3 GLU 42 HG3 GLU 42 -7.761 3.332 -1.468 348 H ILE 43 H ILE 43 -5.500 4.523 0.244 349 HA ILE 43 HA ILE 43 -5.640 6.107 -2.266 350 HB ILE 43 HB ILE 43 -3.594 6.225 -0.029 351 HG12 ILE 43 HG12 ILE 43 -4.782 8.508 -1.636 352 HG13 ILE 43 HG13 ILE 43 -5.669 7.824 -0.282 353 HG21 ILE 43 HG21 ILE 43 -2.259 5.897 -2.063 354 HG22 ILE 43 HG22 ILE 43 -3.195 7.145 -2.913 355 HG23 ILE 43 HG23 ILE 43 -2.151 7.564 -1.542 356 HD11 ILE 43 HD11 ILE 43 -4.542 9.700 0.566 357 HD12 ILE 43 HD12 ILE 43 -3.656 8.296 1.180 358 HD13 ILE 43 HD13 ILE 43 -3.011 9.252 -0.184 359 H TYR 44 H TYR 44 -4.471 5.172 -3.971 360 HA TYR 44 HA TYR 44 -2.884 2.752 -3.488 361 HB2 TYR 44 HB2 TYR 44 -4.198 1.413 -5.063 362 HB3 TYR 44 HB3 TYR 44 -5.093 1.759 -3.600 363 HD1 TYR 44 HD1 TYR 44 -6.872 3.721 -3.742 364 HD2 TYR 44 HD2 TYR 44 -5.067 1.874 -7.199 365 HE1 TYR 44 HE1 TYR 44 -8.552 4.778 -5.187 366 HE2 TYR 44 HE2 TYR 44 -6.818 2.895 -8.631 367 HH TYR 44 HH TYR 44 -9.080 5.347 -7.465 368 H PHE 45 H PHE 45 -1.901 2.082 -5.696 369 HA PHE 45 HA PHE 45 -1.855 4.262 -7.677 370 HB2 PHE 45 HB2 PHE 45 0.665 4.285 -7.529 371 HB3 PHE 45 HB3 PHE 45 -0.259 5.292 -6.465 372 HD1 PHE 45 HD1 PHE 45 -0.650 4.396 -4.000 373 HD2 PHE 45 HD2 PHE 45 2.306 2.811 -6.718 374 HE1 PHE 45 HE1 PHE 45 0.743 3.725 -2.077 375 HE2 PHE 45 HE2 PHE 45 3.733 2.201 -4.749 376 HZ PHE 45 HZ PHE 45 2.967 2.688 -2.473 377 H SER 46 H SER 46 -0.662 3.523 -9.653 378 HA SER 46 HA SER 46 -1.130 0.690 -10.053 379 HB2 SER 46 HB2 SER 46 -0.123 2.818 -11.977 380 HB3 SER 46 HB3 SER 46 -0.802 1.236 -12.386 381 HG SER 46 HG SER 46 -2.419 2.594 -12.606 382 H THR 47 H THR 47 0.521 -0.230 -8.743 383 HA THR 47 HA THR 47 3.243 0.374 -8.914 384 HB THR 47 HB THR 47 3.644 -1.815 -7.909 385 HG1 THR 47 HG1 THR 47 1.063 -2.369 -8.890 386 HG21 THR 47 HG21 THR 47 1.073 -0.640 -6.768 387 HG22 THR 47 HG22 THR 47 2.698 0.003 -6.482 388 HG23 THR 47 HG23 THR 47 2.275 -1.623 -5.920 389 HA PRO 48 HA PRO 48 4.613 -1.371 -12.721 390 HB2 PRO 48 HB2 PRO 48 7.280 -1.537 -12.262 391 HB3 PRO 48 HB3 PRO 48 6.444 0.038 -12.366 392 HG2 PRO 48 HG2 PRO 48 7.140 -1.563 -9.879 393 HG3 PRO 48 HG3 PRO 48 7.520 0.172 -10.209 394 HD2 PRO 48 HD2 PRO 48 5.359 -0.597 -8.770 395 HD3 PRO 48 HD3 PRO 48 5.255 0.773 -9.913 396 H VAL 49 H VAL 49 4.728 -3.142 -9.743 397 HA VAL 49 HA VAL 49 5.939 -5.570 -10.898 398 HB VAL 49 HB VAL 49 4.724 -4.902 -8.177 399 HG11 VAL 49 HG11 VAL 49 5.651 -7.089 -7.386 400 HG12 VAL 49 HG12 VAL 49 4.304 -7.286 -8.497 401 HG13 VAL 49 HG13 VAL 49 5.976 -7.533 -9.078 402 HG21 VAL 49 HG21 VAL 49 7.566 -5.503 -9.121 403 HG22 VAL 49 HG22 VAL 49 6.951 -3.935 -8.538 404 HG23 VAL 49 HG23 VAL 49 7.079 -5.322 -7.441 405 H ASN 50 H ASN 50 4.764 -7.529 -11.088 406 HA ASN 50 HA ASN 50 1.855 -7.412 -10.972 407 HB2 ASN 50 HB2 ASN 50 2.021 -8.839 -13.232 408 HB3 ASN 50 HB3 ASN 50 1.764 -7.113 -13.197 409 HD21 ASN 50 HD21 ASN 50 3.536 -5.623 -13.686 410 HD22 ASN 50 HD22 ASN 50 4.787 -6.226 -14.748 411 H VAL 51 H VAL 51 1.579 -8.862 -9.408 412 HA VAL 51 HA VAL 51 2.356 -11.628 -9.831 413 HB VAL 51 HB VAL 51 2.816 -10.148 -7.181 414 HG11 VAL 51 HG11 VAL 51 3.761 -12.328 -6.373 415 HG12 VAL 51 HG12 VAL 51 2.030 -12.415 -6.712 416 HG13 VAL 51 HG13 VAL 51 3.200 -13.095 -7.871 417 HG21 VAL 51 HG21 VAL 51 4.701 -9.739 -8.725 418 HG22 VAL 51 HG22 VAL 51 5.182 -10.788 -7.395 419 HG23 VAL 51 HG23 VAL 51 4.855 -11.483 -8.998 420 H GLN 52 H GLN 52 0.568 -12.929 -9.015 421 HA GLN 52 HA GLN 52 -1.671 -11.418 -7.768 422 HB2 GLN 52 HB2 GLN 52 -1.854 -13.430 -10.031 423 HB3 GLN 52 HB3 GLN 52 -3.217 -12.924 -9.037 424 HG2 GLN 52 HG2 GLN 52 -2.584 -10.486 -9.731 425 HG3 GLN 52 HG3 GLN 52 -1.607 -11.260 -10.968 426 HE21 GLN 52 HE21 GLN 52 -5.029 -11.350 -9.601 427 HE22 GLN 52 HE22 GLN 52 -5.716 -11.526 -11.212 428 H LYS 53 H LYS 53 0.461 -13.985 -7.393 429 HA LYS 53 HA LYS 53 -1.130 -15.760 -5.792 430 HB2 LYS 53 HB2 LYS 53 1.184 -15.967 -6.991 431 HB3 LYS 53 HB3 LYS 53 1.860 -15.201 -5.559 432 HG2 LYS 53 HG2 LYS 53 1.276 -17.106 -4.212 433 HG3 LYS 53 HG3 LYS 53 0.173 -17.742 -5.461 434 HD2 LYS 53 HD2 LYS 53 1.994 -18.242 -6.965 435 HD3 LYS 53 HD3 LYS 53 3.156 -17.391 -5.928 436 HE2 LYS 53 HE2 LYS 53 2.498 -19.082 -4.096 437 HE3 LYS 53 HE3 LYS 53 1.723 -20.021 -5.365 438 HZ1 LYS 53 HZ1 LYS 53 3.859 -20.180 -6.478 439 HZ2 LYS 53 HZ2 LYS 53 4.066 -20.631 -4.902 440 HZ3 LYS 53 HZ3 LYS 53 4.564 -19.163 -5.409 441 H MET 54 H MET 54 -1.224 -15.757 -3.412 442 HA MET 54 HA MET 54 -0.559 -13.265 -2.027 443 HB2 MET 54 HB2 MET 54 -2.833 -12.823 -1.288 444 HB3 MET 54 HB3 MET 54 -2.696 -12.721 -3.035 445 HG2 MET 54 HG2 MET 54 -3.698 -15.161 -2.995 446 HG3 MET 54 HG3 MET 54 -4.083 -14.790 -1.322 447 HE1 MET 54 HE1 MET 54 -4.150 -12.629 -4.667 448 HE2 MET 54 HE2 MET 54 -4.813 -14.245 -4.995 449 HE3 MET 54 HE3 MET 54 -5.865 -12.815 -5.064 450 H GLU 55 H GLU 55 0.651 -14.162 -0.381 451 HA GLU 55 HA GLU 55 -0.030 -16.831 0.443 452 HB2 GLU 55 HB2 GLU 55 2.193 -14.956 0.860 453 HB3 GLU 55 HB3 GLU 55 1.839 -15.895 2.311 454 HG2 GLU 55 HG2 GLU 55 2.339 -17.051 -0.464 455 HG3 GLU 55 HG3 GLU 55 3.510 -17.027 0.867 456 H ASN 56 H ASN 56 -0.846 -13.697 1.867 457 HA ASN 56 HA ASN 56 -2.374 -15.151 4.000 458 HB2 ASN 56 HB2 ASN 56 -0.359 -14.339 5.071 459 HB3 ASN 56 HB3 ASN 56 -0.566 -12.730 4.367 460 HD21 ASN 56 HD21 ASN 56 -1.257 -11.298 5.968 461 HD22 ASN 56 HD22 ASN 56 -2.362 -11.763 7.250 462 HA PRO 57 HA PRO 57 -5.079 -12.089 1.694 463 HB2 PRO 57 HB2 PRO 57 -7.129 -13.718 1.061 464 HB3 PRO 57 HB3 PRO 57 -5.662 -13.504 0.084 465 HG2 PRO 57 HG2 PRO 57 -6.307 -15.764 1.976 466 HG3 PRO 57 HG3 PRO 57 -5.540 -15.822 0.342 467 HD2 PRO 57 HD2 PRO 57 -4.117 -15.896 2.721 468 HD3 PRO 57 HD3 PRO 57 -3.466 -15.259 1.190 469 H ARG 58 H ARG 58 -6.896 -11.021 2.510 470 HA ARG 58 HA ARG 58 -8.423 -12.135 4.738 471 HB2 ARG 58 HB2 ARG 58 -6.923 -9.474 4.840 472 HB3 ARG 58 HB3 ARG 58 -8.310 -9.833 5.865 473 HG2 ARG 58 HG2 ARG 58 -5.708 -11.400 5.875 474 HG3 ARG 58 HG3 ARG 58 -6.165 -10.130 7.013 475 HD2 ARG 58 HD2 ARG 58 -8.144 -11.412 7.735 476 HD3 ARG 58 HD3 ARG 58 -7.690 -12.745 6.642 477 HE ARG 58 HE ARG 58 -6.388 -11.904 9.126 478 HH11 ARG 58 HH11 ARG 58 -5.924 -13.837 6.103 479 HH12 ARG 58 HH12 ARG 58 -4.567 -14.638 6.788 480 HH21 ARG 58 HH21 ARG 58 -5.166 -13.684 10.107 481 HH22 ARG 58 HH22 ARG 58 -4.301 -14.759 9.083 482 H GLU 59 H GLU 59 -10.359 -10.555 5.095 483 HA GLU 59 HA GLU 59 -11.136 -9.221 2.554 484 HB2 GLU 59 HB2 GLU 59 -12.723 -11.103 4.342 485 HB3 GLU 59 HB3 GLU 59 -13.500 -10.011 3.178 486 HG2 GLU 59 HG2 GLU 59 -12.186 -10.992 1.335 487 HG3 GLU 59 HG3 GLU 59 -11.495 -12.178 2.465 488 H VAL 60 H VAL 60 -10.222 -8.507 5.603 489 HA VAL 60 HA VAL 60 -11.258 -5.892 5.634 490 HB VAL 60 HB VAL 60 -13.036 -6.931 6.575 491 HG11 VAL 60 HG11 VAL 60 -12.393 -9.141 7.037 492 HG12 VAL 60 HG12 VAL 60 -11.359 -8.603 8.400 493 HG13 VAL 60 HG13 VAL 60 -13.151 -8.425 8.443 494 HG21 VAL 60 HG21 VAL 60 -12.322 -4.968 7.910 495 HG22 VAL 60 HG22 VAL 60 -13.008 -6.160 9.007 496 HG23 VAL 60 HG23 VAL 60 -11.286 -6.005 8.905 497 H VAL 61 H VAL 61 -9.928 -4.684 7.114 498 HA VAL 61 HA VAL 61 -7.553 -6.028 8.262 499 HB VAL 61 HB VAL 61 -6.123 -4.302 7.187 500 HG11 VAL 61 HG11 VAL 61 -6.459 -6.625 6.240 501 HG12 VAL 61 HG12 VAL 61 -7.595 -5.896 5.085 502 HG13 VAL 61 HG13 VAL 61 -5.904 -5.378 5.071 503 HG21 VAL 61 HG21 VAL 61 -7.834 -2.577 6.700 504 HG22 VAL 61 HG22 VAL 61 -6.944 -3.048 5.248 505 HG23 VAL 61 HG23 VAL 61 -8.584 -3.643 5.492 506 H GLU 62 H GLU 62 -6.175 -3.910 9.235 507 HA GLU 62 HA GLU 62 -8.078 -2.429 10.977 508 HB2 GLU 62 HB2 GLU 62 -5.057 -2.737 11.020 509 HB3 GLU 62 HB3 GLU 62 -5.975 -1.718 12.111 510 HG2 GLU 62 HG2 GLU 62 -7.327 -3.944 12.580 511 HG3 GLU 62 HG3 GLU 62 -5.845 -4.691 11.992 512 H ILE 63 H ILE 63 -7.056 -0.195 11.417 513 HA ILE 63 HA ILE 63 -7.310 1.336 8.906 514 HB ILE 63 HB ILE 63 -7.045 2.327 11.799 515 HG12 ILE 63 HG12 ILE 63 -9.489 1.970 10.028 516 HG13 ILE 63 HG13 ILE 63 -9.098 0.924 11.413 517 HG21 ILE 63 HG21 ILE 63 -6.526 4.185 10.305 518 HG22 ILE 63 HG22 ILE 63 -7.865 3.729 9.234 519 HG23 ILE 63 HG23 ILE 63 -8.164 4.430 10.821 520 HD11 ILE 63 HD11 ILE 63 -10.751 2.307 12.257 521 HD12 ILE 63 HD12 ILE 63 -9.250 3.086 12.820 522 HD13 ILE 63 HD13 ILE 63 -10.149 3.742 11.430 523 H GLY 64 H GLY 64 -4.737 -0.309 10.018 524 HA2 GLY 64 HA2 GLY 64 -2.787 1.716 9.099 525 HA3 GLY 64 HA3 GLY 64 -2.619 1.079 10.737 526 H ASP 65 H ASP 65 -3.745 -0.788 7.899 527 HA ASP 65 HA ASP 65 -1.231 -2.418 8.013 528 HB2 ASP 65 HB2 ASP 65 -4.050 -3.276 7.283 529 HB3 ASP 65 HB3 ASP 65 -2.632 -4.298 7.186 530 H VAL 66 H VAL 66 -0.931 -3.630 5.815 531 HA VAL 66 HA VAL 66 -1.918 -2.025 3.521 532 HB VAL 66 HB VAL 66 0.981 -2.653 4.189 533 HG11 VAL 66 HG11 VAL 66 -0.141 -1.479 1.632 534 HG12 VAL 66 HG12 VAL 66 1.566 -1.482 2.106 535 HG13 VAL 66 HG13 VAL 66 0.747 -3.016 1.822 536 HG21 VAL 66 HG21 VAL 66 0.260 -0.748 5.361 537 HG22 VAL 66 HG22 VAL 66 1.181 -0.130 3.982 538 HG23 VAL 66 HG23 VAL 66 -0.601 -0.090 3.961 539 H GLY 67 H GLY 67 -2.157 -3.110 1.663 540 HA2 GLY 67 HA2 GLY 67 -1.502 -5.989 1.559 541 HA3 GLY 67 HA3 GLY 67 -3.107 -5.388 1.112 542 H TYR 68 H TYR 68 -1.900 -6.730 -0.754 543 HA TYR 68 HA TYR 68 -1.162 -4.611 -2.756 544 HB2 TYR 68 HB2 TYR 68 0.506 -6.533 -2.363 545 HB3 TYR 68 HB3 TYR 68 -0.755 -7.610 -2.946 546 HD1 TYR 68 HD1 TYR 68 1.302 -4.625 -3.839 547 HD2 TYR 68 HD2 TYR 68 -1.030 -7.930 -5.342 548 HE1 TYR 68 HE1 TYR 68 2.044 -4.092 -6.132 549 HE2 TYR 68 HE2 TYR 68 -0.239 -7.433 -7.642 550 HH TYR 68 HH TYR 68 1.607 -4.513 -8.417 551 H TRP 69 H TRP 69 -2.559 -4.498 -4.551 552 HA TRP 69 HA TRP 69 -5.053 -6.082 -4.374 553 HB2 TRP 69 HB2 TRP 69 -5.157 -3.569 -4.188 554 HB3 TRP 69 HB3 TRP 69 -4.660 -3.490 -5.866 555 HD1 TRP 69 HD1 TRP 69 -7.338 -5.463 -3.898 556 HE1 TRP 69 HE1 TRP 69 -9.641 -5.156 -4.973 557 HE3 TRP 69 HE3 TRP 69 -5.976 -2.752 -8.019 558 HZ2 TRP 69 HZ2 TRP 69 -10.786 -3.686 -7.096 559 HZ3 TRP 69 HZ3 TRP 69 -7.753 -1.890 -9.546 560 HH2 TRP 69 HH2 TRP 69 -10.171 -2.255 -8.977 561 HA PRO 70 HA PRO 70 -2.431 -7.837 -7.656 562 HB2 PRO 70 HB2 PRO 70 -3.715 -10.292 -7.848 563 HB3 PRO 70 HB3 PRO 70 -2.426 -9.830 -6.694 564 HG2 PRO 70 HG2 PRO 70 -5.292 -10.254 -6.159 565 HG3 PRO 70 HG3 PRO 70 -3.899 -10.366 -5.073 566 HD2 PRO 70 HD2 PRO 70 -5.676 -8.153 -5.319 567 HD3 PRO 70 HD3 PRO 70 -4.264 -8.242 -4.379 568 HA PRO 71 HA PRO 71 -6.009 -8.844 -10.600 569 HB2 PRO 71 HB2 PRO 71 -8.529 -7.769 -10.269 570 HB3 PRO 71 HB3 PRO 71 -7.993 -9.324 -9.569 571 HG2 PRO 71 HG2 PRO 71 -8.168 -6.633 -8.200 572 HG3 PRO 71 HG3 PRO 71 -8.516 -8.259 -7.486 573 HD2 PRO 71 HD2 PRO 71 -6.304 -7.005 -7.008 574 HD3 PRO 71 HD3 PRO 71 -6.423 -8.804 -7.154 575 H GLY 72 H GLY 72 -5.699 -5.615 -9.271 576 HA2 GLY 72 HA2 GLY 72 -5.714 -4.415 -11.998 577 HA3 GLY 72 HA3 GLY 72 -6.115 -3.565 -10.512 578 H LYS 73 H LYS 73 -3.361 -5.742 -10.190 579 HA LYS 73 HA LYS 73 -1.223 -5.226 -9.535 580 HB2 LYS 73 HB2 LYS 73 -1.442 -3.737 -12.189 581 HB3 LYS 73 HB3 LYS 73 0.043 -3.788 -11.272 582 HG2 LYS 73 HG2 LYS 73 0.535 -5.440 -12.552 583 HG3 LYS 73 HG3 LYS 73 -0.212 -6.362 -11.257 584 HD2 LYS 73 HD2 LYS 73 -0.758 -7.217 -13.444 585 HD3 LYS 73 HD3 LYS 73 -2.247 -6.640 -12.658 586 HE2 LYS 73 HE2 LYS 73 -2.405 -4.769 -14.102 587 HE3 LYS 73 HE3 LYS 73 -0.683 -4.814 -14.492 588 HZ1 LYS 73 HZ1 LYS 73 -0.967 -6.588 -15.920 589 HZ2 LYS 73 HZ2 LYS 73 -2.197 -5.605 -16.300 590 HZ3 LYS 73 HZ3 LYS 73 -2.487 -6.960 -15.428 591 H ALA 74 H ALA 74 -2.950 -3.688 -7.932 592 HA ALA 74 HA ALA 74 -1.588 -1.028 -7.904 593 HB1 ALA 74 HB1 ALA 74 -4.030 -0.859 -8.399 594 HB2 ALA 74 HB2 ALA 74 -4.353 -1.556 -6.796 595 HB3 ALA 74 HB3 ALA 74 -3.502 -0.018 -6.931 596 H LEU 75 H LEU 75 -1.305 -0.115 -5.802 597 HA LEU 75 HA LEU 75 -0.762 -2.078 -3.649 598 HB2 LEU 75 HB2 LEU 75 0.587 0.268 -4.263 599 HB3 LEU 75 HB3 LEU 75 -0.611 0.880 -3.121 600 HG LEU 75 HG LEU 75 0.101 -1.328 -1.762 601 HD11 LEU 75 HD11 LEU 75 1.582 -2.150 -3.548 602 HD12 LEU 75 HD12 LEU 75 2.505 -1.835 -2.084 603 HD13 LEU 75 HD13 LEU 75 2.570 -0.678 -3.417 604 HD21 LEU 75 HD21 LEU 75 1.431 -0.115 -0.323 605 HD22 LEU 75 HD22 LEU 75 0.366 1.095 -1.034 606 HD23 LEU 75 HD23 LEU 75 2.050 0.939 -1.598 607 H CYS 76 H CYS 76 -1.654 -1.075 -1.345 608 HA CYS 76 HA CYS 76 -3.925 0.662 -1.713 609 HB2 CYS 76 HB2 CYS 76 -4.033 -1.972 -0.257 610 HB3 CYS 76 HB3 CYS 76 -5.084 -0.664 0.218 611 HG CYS 76 HG CYS 76 -6.383 -0.373 -1.957 612 H LEU 77 H LEU 77 -4.413 1.733 0.384 613 HA LEU 77 HA LEU 77 -2.517 1.672 2.602 614 HB2 LEU 77 HB2 LEU 77 -2.985 4.105 0.823 615 HB3 LEU 77 HB3 LEU 77 -2.387 4.235 2.453 616 HG LEU 77 HG LEU 77 -0.978 2.777 0.167 617 HD11 LEU 77 HD11 LEU 77 -1.080 5.198 -0.178 618 HD12 LEU 77 HD12 LEU 77 0.571 4.696 0.201 619 HD13 LEU 77 HD13 LEU 77 -0.427 5.492 1.437 620 HD21 LEU 77 HD21 LEU 77 0.987 2.785 1.662 621 HD22 LEU 77 HD22 LEU 77 -0.322 1.826 2.343 622 HD23 LEU 77 HD23 LEU 77 0.001 3.456 2.988 623 H PHE 78 H PHE 78 -4.161 1.212 4.055 624 HA PHE 78 HA PHE 78 -6.807 2.497 3.663 625 HB2 PHE 78 HB2 PHE 78 -6.055 0.230 5.553 626 HB3 PHE 78 HB3 PHE 78 -7.639 0.707 5.046 627 HD1 PHE 78 HD1 PHE 78 -8.068 0.578 2.388 628 HD2 PHE 78 HD2 PHE 78 -4.987 -1.581 4.486 629 HE1 PHE 78 HE1 PHE 78 -8.115 -1.190 0.653 630 HE2 PHE 78 HE2 PHE 78 -5.033 -3.351 2.747 631 HZ PHE 78 HZ PHE 78 -6.657 -3.189 0.865 632 H PHE 79 H PHE 79 -7.133 4.320 4.897 633 HA PHE 79 HA PHE 79 -5.991 4.393 7.656 634 HB2 PHE 79 HB2 PHE 79 -5.401 6.767 7.257 635 HB3 PHE 79 HB3 PHE 79 -4.454 5.593 6.357 636 HD1 PHE 79 HD1 PHE 79 -7.149 8.150 6.045 637 HD2 PHE 79 HD2 PHE 79 -4.601 5.387 3.958 638 HE1 PHE 79 HE1 PHE 79 -7.803 9.189 3.866 639 HE2 PHE 79 HE2 PHE 79 -5.154 6.463 1.819 640 HZ PHE 79 HZ PHE 79 -6.761 8.386 1.750 641 H GLY 80 H GLY 80 -8.837 4.490 5.889 642 HA2 GLY 80 HA2 GLY 80 -10.222 5.187 8.293 643 HA3 GLY 80 HA3 GLY 80 -10.528 6.358 7.001 644 H LYS 81 H LYS 81 -12.780 5.224 7.497 645 HA LYS 81 HA LYS 81 -13.041 2.571 6.269 646 HB2 LYS 81 HB2 LYS 81 -14.198 3.090 8.386 647 HB3 LYS 81 HB3 LYS 81 -15.183 4.312 7.546 648 HG2 LYS 81 HG2 LYS 81 -16.256 2.663 6.197 649 HG3 LYS 81 HG3 LYS 81 -15.052 1.427 6.561 650 HD2 LYS 81 HD2 LYS 81 -16.097 0.721 8.406 651 HD3 LYS 81 HD3 LYS 81 -16.354 2.340 9.029 652 HE2 LYS 81 HE2 LYS 81 -18.105 0.960 6.946 653 HE3 LYS 81 HE3 LYS 81 -18.467 1.116 8.672 654 HZ1 LYS 81 HZ1 LYS 81 -18.409 3.201 6.628 655 HZ2 LYS 81 HZ2 LYS 81 -18.239 3.604 8.234 656 HZ3 LYS 81 HZ3 LYS 81 -19.604 2.869 7.676 657 H THR 82 H THR 82 -13.004 2.497 4.138 658 HA THR 82 HA THR 82 -13.808 4.528 2.310 659 HB THR 82 HB THR 82 -13.738 2.296 0.846 660 HG1 THR 82 HG1 THR 82 -12.279 0.793 2.041 661 HG21 THR 82 HG21 THR 82 -11.337 2.475 0.719 662 HG22 THR 82 HG22 THR 82 -11.261 3.254 2.323 663 HG23 THR 82 HG23 THR 82 -12.015 4.084 0.957 664 HA PRO 83 HA PRO 83 -18.120 3.850 2.125 665 HB2 PRO 83 HB2 PRO 83 -18.763 3.862 -0.526 666 HB3 PRO 83 HB3 PRO 83 -18.173 5.313 0.348 667 HG2 PRO 83 HG2 PRO 83 -16.562 3.366 -1.352 668 HG3 PRO 83 HG3 PRO 83 -16.598 5.162 -1.460 669 HD2 PRO 83 HD2 PRO 83 -14.664 3.915 -0.076 670 HD3 PRO 83 HD3 PRO 83 -15.418 5.396 0.580 671 H MET 84 H MET 84 -16.161 1.207 1.372 672 HA MET 84 HA MET 84 -18.376 -0.378 0.195 673 HB2 MET 84 HB2 MET 84 -16.111 0.059 -1.011 674 HB3 MET 84 HB3 MET 84 -15.478 -1.193 0.063 675 HG2 MET 84 HG2 MET 84 -17.862 -2.311 -0.853 676 HG3 MET 84 HG3 MET 84 -17.375 -1.315 -2.217 677 HE1 MET 84 HE1 MET 84 -15.694 -3.854 0.394 678 HE2 MET 84 HE2 MET 84 -17.177 -4.506 -0.332 679 HE3 MET 84 HE3 MET 84 -15.605 -5.243 -0.698 680 H SER 85 H SER 85 -18.987 -0.180 2.697 681 HA SER 85 HA SER 85 -18.385 -2.756 3.860 682 HB2 SER 85 HB2 SER 85 -17.647 -1.470 6.055 683 HB3 SER 85 HB3 SER 85 -16.493 -1.914 4.821 684 HG SER 85 HG SER 85 -16.082 0.067 4.499 685 H ASP 86 H ASP 86 -19.333 -2.667 6.216 686 HA ASP 86 HA ASP 86 -21.142 -0.488 6.627 687 HB2 ASP 86 HB2 ASP 86 -22.397 -2.805 5.743 688 HB3 ASP 86 HB3 ASP 86 -22.443 -3.044 7.486 689 H ASP 87 H ASP 87 -20.278 -3.664 7.966 690 HA ASP 87 HA ASP 87 -20.245 -2.700 10.670 691 HB2 ASP 87 HB2 ASP 87 -19.188 -5.253 9.391 692 HB3 ASP 87 HB3 ASP 87 -19.163 -4.966 11.127 693 H LYS 88 H LYS 88 -17.649 -3.404 8.315 694 HA LYS 88 HA LYS 88 -15.541 -2.439 10.101 695 HB2 LYS 88 HB2 LYS 88 -14.375 -4.564 10.113 696 HB3 LYS 88 HB3 LYS 88 -15.972 -4.758 10.808 697 HG2 LYS 88 HG2 LYS 88 -16.703 -5.592 8.435 698 HG3 LYS 88 HG3 LYS 88 -14.989 -5.649 8.069 699 HD2 LYS 88 HD2 LYS 88 -15.556 -7.849 8.778 700 HD3 LYS 88 HD3 LYS 88 -14.673 -7.125 10.110 701 HE2 LYS 88 HE2 LYS 88 -16.455 -8.313 11.079 702 HE3 LYS 88 HE3 LYS 88 -16.888 -6.607 11.247 703 HZ1 LYS 88 HZ1 LYS 88 -17.843 -8.264 8.985 704 HZ2 LYS 88 HZ2 LYS 88 -18.485 -6.869 9.526 705 HZ3 LYS 88 HZ3 LYS 88 -18.636 -8.253 10.416 706 H ILE 89 H ILE 89 -13.377 -2.560 8.914 707 HA ILE 89 HA ILE 89 -13.967 -1.173 6.420 708 HB ILE 89 HB ILE 89 -11.368 -1.634 7.936 709 HG12 ILE 89 HG12 ILE 89 -12.668 1.067 7.951 710 HG13 ILE 89 HG13 ILE 89 -13.485 -0.135 8.921 711 HG21 ILE 89 HG21 ILE 89 -10.538 0.385 6.700 712 HG22 ILE 89 HG22 ILE 89 -10.851 -1.002 5.653 713 HG23 ILE 89 HG23 ILE 89 -12.020 0.336 5.697 714 HD11 ILE 89 HD11 ILE 89 -11.530 -0.593 10.222 715 HD12 ILE 89 HD12 ILE 89 -10.504 0.337 9.109 716 HD13 ILE 89 HD13 ILE 89 -11.724 1.164 10.137 717 H GLN 90 H GLN 90 -14.742 -3.055 5.331 718 HA GLN 90 HA GLN 90 -12.902 -5.115 4.480 719 HB2 GLN 90 HB2 GLN 90 -15.654 -4.214 3.507 720 HB3 GLN 90 HB3 GLN 90 -14.830 -5.691 2.965 721 HG2 GLN 90 HG2 GLN 90 -14.862 -6.613 5.219 722 HG3 GLN 90 HG3 GLN 90 -15.429 -5.110 5.912 723 HE21 GLN 90 HE21 GLN 90 -16.452 -8.010 4.220 724 HE22 GLN 90 HE22 GLN 90 -18.145 -7.718 4.468 725 HA PRO 91 HA PRO 91 -11.453 -2.538 0.982 726 HB2 PRO 91 HB2 PRO 91 -9.797 -4.449 -0.192 727 HB3 PRO 91 HB3 PRO 91 -9.346 -3.434 1.191 728 HG2 PRO 91 HG2 PRO 91 -10.319 -6.274 1.205 729 HG3 PRO 91 HG3 PRO 91 -9.057 -5.524 2.230 730 HD2 PRO 91 HD2 PRO 91 -11.612 -6.049 3.022 731 HD3 PRO 91 HD3 PRO 91 -10.656 -4.685 3.673 732 H ALA 92 H ALA 92 -11.070 -2.864 -1.408 733 HA ALA 92 HA ALA 92 -13.366 -3.654 -2.738 734 HB1 ALA 92 HB1 ALA 92 -11.817 -1.966 -3.642 735 HB2 ALA 92 HB2 ALA 92 -10.554 -3.198 -3.838 736 HB3 ALA 92 HB3 ALA 92 -12.013 -3.258 -4.841 737 H SER 93 H SER 93 -10.976 -5.860 -1.609 738 HA SER 93 HA SER 93 -12.185 -8.090 -2.954 739 HB2 SER 93 HB2 SER 93 -10.915 -7.230 -4.916 740 HB3 SER 93 HB3 SER 93 -9.461 -7.063 -3.936 741 HG SER 93 HG SER 93 -10.368 -9.160 -5.346 742 H ALA 94 H ALA 94 -10.756 -10.078 -2.596 743 HA ALA 94 HA ALA 94 -9.956 -10.190 0.196 744 HB1 ALA 94 HB1 ALA 94 -9.745 -12.268 -2.021 745 HB2 ALA 94 HB2 ALA 94 -9.431 -12.547 -0.302 746 HB3 ALA 94 HB3 ALA 94 -11.062 -12.121 -0.848 747 H VAL 95 H VAL 95 -8.305 -8.489 0.088 748 HA VAL 95 HA VAL 95 -5.911 -8.998 -1.564 749 HB VAL 95 HB VAL 95 -5.065 -6.899 -0.638 750 HG11 VAL 95 HG11 VAL 95 -7.951 -6.650 -1.581 751 HG12 VAL 95 HG12 VAL 95 -6.696 -5.415 -1.704 752 HG13 VAL 95 HG13 VAL 95 -6.529 -6.944 -2.612 753 HG21 VAL 95 HG21 VAL 95 -7.658 -6.733 0.938 754 HG22 VAL 95 HG22 VAL 95 -6.011 -6.853 1.614 755 HG23 VAL 95 HG23 VAL 95 -6.498 -5.411 0.730 756 H ASN 96 H ASN 96 -3.881 -9.470 -0.726 757 HA ASN 96 HA ASN 96 -3.795 -10.722 1.879 758 HB2 ASN 96 HB2 ASN 96 -1.357 -10.766 1.604 759 HB3 ASN 96 HB3 ASN 96 -2.242 -11.629 0.379 760 HD21 ASN 96 HD21 ASN 96 -0.998 -11.528 -1.382 761 HD22 ASN 96 HD22 ASN 96 -0.097 -10.170 -1.970 762 H VAL 97 H VAL 97 -2.532 -10.190 3.623 763 HA VAL 97 HA VAL 97 -2.070 -7.279 3.933 764 HB VAL 97 HB VAL 97 -2.502 -9.152 6.287 765 HG11 VAL 97 HG11 VAL 97 -1.365 -6.987 6.699 766 HG12 VAL 97 HG12 VAL 97 -2.687 -6.133 5.877 767 HG13 VAL 97 HG13 VAL 97 -2.988 -6.973 7.408 768 HG21 VAL 97 HG21 VAL 97 -4.583 -9.282 5.043 769 HG22 VAL 97 HG22 VAL 97 -4.804 -8.231 6.445 770 HG23 VAL 97 HG23 VAL 97 -4.611 -7.523 4.820 771 H ILE 98 H ILE 98 -0.055 -7.177 3.268 772 HA ILE 98 HA ILE 98 1.948 -9.164 4.249 773 HB ILE 98 HB ILE 98 3.277 -8.652 2.247 774 HG12 ILE 98 HG12 ILE 98 0.806 -7.158 1.246 775 HG13 ILE 98 HG13 ILE 98 2.372 -6.444 1.656 776 HG21 ILE 98 HG21 ILE 98 0.516 -9.701 1.632 777 HG22 ILE 98 HG22 ILE 98 2.019 -10.155 0.803 778 HG23 ILE 98 HG23 ILE 98 1.743 -10.636 2.478 779 HD11 ILE 98 HD11 ILE 98 2.285 -6.677 -0.727 780 HD12 ILE 98 HD12 ILE 98 3.424 -7.889 -0.121 781 HD13 ILE 98 HD13 ILE 98 1.775 -8.367 -0.618 782 H GLY 99 H GLY 99 0.946 -5.839 4.336 783 HA2 GLY 99 HA2 GLY 99 3.586 -5.089 5.435 784 HA3 GLY 99 HA3 GLY 99 2.706 -4.103 4.272 785 H LYS 100 H LYS 100 3.405 -2.932 6.464 786 HA LYS 100 HA LYS 100 0.914 -2.550 8.056 787 HB2 LYS 100 HB2 LYS 100 2.702 -3.922 9.177 788 HB3 LYS 100 HB3 LYS 100 3.833 -2.624 8.958 789 HG2 LYS 100 HG2 LYS 100 3.270 -2.434 11.140 790 HG3 LYS 100 HG3 LYS 100 2.332 -1.136 10.368 791 HD2 LYS 100 HD2 LYS 100 0.348 -2.504 10.411 792 HD3 LYS 100 HD3 LYS 100 1.309 -3.936 10.836 793 HE2 LYS 100 HE2 LYS 100 1.837 -3.071 13.028 794 HE3 LYS 100 HE3 LYS 100 1.227 -1.478 12.599 795 HZ1 LYS 100 HZ1 LYS 100 -0.545 -3.826 12.822 796 HZ2 LYS 100 HZ2 LYS 100 -0.993 -2.286 12.617 797 HZ3 LYS 100 HZ3 LYS 100 -0.304 -2.728 14.028 798 H ILE 101 H ILE 101 0.395 -0.343 8.228 799 HA ILE 101 HA ILE 101 2.136 1.662 6.954 800 HB ILE 101 HB ILE 101 -0.479 1.912 8.505 801 HG12 ILE 101 HG12 ILE 101 0.102 1.951 5.509 802 HG13 ILE 101 HG13 ILE 101 -0.864 0.775 6.434 803 HG21 ILE 101 HG21 ILE 101 -0.461 4.269 7.653 804 HG22 ILE 101 HG22 ILE 101 0.955 3.961 8.643 805 HG23 ILE 101 HG23 ILE 101 1.101 3.977 6.869 806 HD11 ILE 101 HD11 ILE 101 -2.373 2.112 5.247 807 HD12 ILE 101 HD12 ILE 101 -2.505 2.528 6.979 808 HD13 ILE 101 HD13 ILE 101 -1.654 3.614 5.842 809 H VAL 102 H VAL 102 4.004 1.692 8.157 810 HA VAL 102 HA VAL 102 3.867 1.427 11.106 811 HB VAL 102 HB VAL 102 6.301 1.708 11.021 812 HG11 VAL 102 HG11 VAL 102 5.265 -0.527 10.821 813 HG12 VAL 102 HG12 VAL 102 5.321 -0.401 9.042 814 HG13 VAL 102 HG13 VAL 102 6.835 -0.422 9.997 815 HG21 VAL 102 HG21 VAL 102 7.550 1.856 8.956 816 HG22 VAL 102 HG22 VAL 102 6.095 1.725 7.980 817 HG23 VAL 102 HG23 VAL 102 6.390 3.194 8.944 818 H GLU 103 H GLU 103 4.099 3.940 8.630 819 HA GLU 103 HA GLU 103 3.832 6.054 10.728 820 HB2 GLU 103 HB2 GLU 103 6.090 5.984 10.275 821 HB3 GLU 103 HB3 GLU 103 5.869 5.434 8.632 822 HG2 GLU 103 HG2 GLU 103 6.876 7.523 8.809 823 HG3 GLU 103 HG3 GLU 103 5.394 7.523 7.874 824 H GLY 104 H GLY 104 3.057 8.038 9.885 825 HA2 GLY 104 HA2 GLY 104 2.438 9.558 8.308 826 HA3 GLY 104 HA3 GLY 104 2.299 8.284 7.077 827 H LEU 105 H LEU 105 0.556 7.638 9.974 828 HA LEU 105 HA LEU 105 -1.656 7.003 8.441 829 HB2 LEU 105 HB2 LEU 105 -0.804 6.233 10.878 830 HB3 LEU 105 HB3 LEU 105 -1.932 7.476 11.398 831 HG LEU 105 HG LEU 105 -3.594 6.197 9.671 832 HD11 LEU 105 HD11 LEU 105 -2.479 4.460 8.743 833 HD12 LEU 105 HD12 LEU 105 -2.978 3.664 10.243 834 HD13 LEU 105 HD13 LEU 105 -1.349 4.266 10.116 835 HD21 LEU 105 HD21 LEU 105 -3.989 6.625 12.005 836 HD22 LEU 105 HD22 LEU 105 -2.956 5.223 12.459 837 HD23 LEU 105 HD23 LEU 105 -4.477 4.985 11.535 838 H GLU 106 H GLU 106 -0.959 10.092 9.701 839 HA GLU 106 HA GLU 106 -3.831 10.935 9.501 840 HB2 GLU 106 HB2 GLU 106 -1.571 12.575 10.708 841 HB3 GLU 106 HB3 GLU 106 -3.318 12.813 10.806 842 HG2 GLU 106 HG2 GLU 106 -3.266 10.368 11.881 843 HG3 GLU 106 HG3 GLU 106 -1.586 10.782 12.221 844 H ASP 107 H ASP 107 -0.572 11.533 8.195 845 HA ASP 107 HA ASP 107 -1.284 13.835 6.600 846 HB2 ASP 107 HB2 ASP 107 1.107 12.054 6.798 847 HB3 ASP 107 HB3 ASP 107 0.870 13.077 5.358 848 H LEU 108 H LEU 108 -1.840 10.442 6.184 849 HA LEU 108 HA LEU 108 -2.102 10.506 3.306 850 HB2 LEU 108 HB2 LEU 108 -2.607 8.585 5.502 851 HB3 LEU 108 HB3 LEU 108 -3.634 8.410 4.083 852 HG LEU 108 HG LEU 108 -1.851 7.944 2.669 853 HD11 LEU 108 HD11 LEU 108 0.552 8.092 3.248 854 HD12 LEU 108 HD12 LEU 108 0.126 8.868 4.799 855 HD13 LEU 108 HD13 LEU 108 -0.192 9.681 3.259 856 HD21 LEU 108 HD21 LEU 108 -0.676 6.061 3.748 857 HD22 LEU 108 HD22 LEU 108 -2.383 6.106 4.209 858 HD23 LEU 108 HD23 LEU 108 -1.145 6.677 5.347 859 H LYS 109 H LYS 109 -4.433 11.404 5.921 860 HA LYS 109 HA LYS 109 -6.650 11.522 4.180 861 HB2 LYS 109 HB2 LYS 109 -6.111 13.306 6.594 862 HB3 LYS 109 HB3 LYS 109 -7.661 12.950 5.817 863 HG2 LYS 109 HG2 LYS 109 -6.972 10.439 6.339 864 HG3 LYS 109 HG3 LYS 109 -5.980 11.232 7.582 865 HD2 LYS 109 HD2 LYS 109 -8.043 12.271 8.509 866 HD3 LYS 109 HD3 LYS 109 -9.004 11.406 7.274 867 HE2 LYS 109 HE2 LYS 109 -8.172 9.256 8.044 868 HE3 LYS 109 HE3 LYS 109 -7.067 10.032 9.182 869 HZ1 LYS 109 HZ1 LYS 109 -10.021 10.145 9.312 870 HZ2 LYS 109 HZ2 LYS 109 -8.971 10.775 10.451 871 HZ3 LYS 109 HZ3 LYS 109 -9.066 9.150 10.197 872 H LYS 110 H LYS 110 -3.871 13.693 4.354 873 HA LYS 110 HA LYS 110 -5.447 15.896 3.170 874 HB2 LYS 110 HB2 LYS 110 -3.636 17.292 3.748 875 HB3 LYS 110 HB3 LYS 110 -4.147 16.391 5.168 876 HG2 LYS 110 HG2 LYS 110 -2.196 15.002 5.059 877 HG3 LYS 110 HG3 LYS 110 -1.755 15.623 3.448 878 HD2 LYS 110 HD2 LYS 110 -1.636 17.929 4.685 879 HD3 LYS 110 HD3 LYS 110 -1.527 16.944 6.159 880 HE2 LYS 110 HE2 LYS 110 0.420 15.746 5.134 881 HE3 LYS 110 HE3 LYS 110 0.241 16.743 3.681 882 HZ1 LYS 110 HZ1 LYS 110 0.753 18.679 5.007 883 HZ2 LYS 110 HZ2 LYS 110 1.955 17.573 5.073 884 HZ3 LYS 110 HZ3 LYS 110 0.947 17.724 6.364 885 H ILE 111 H ILE 111 -4.051 13.311 1.757 886 HA ILE 111 HA ILE 111 -2.496 14.741 -0.274 887 HB ILE 111 HB ILE 111 -3.382 11.856 -0.415 888 HG12 ILE 111 HG12 ILE 111 -2.407 12.051 1.832 889 HG13 ILE 111 HG13 ILE 111 -1.451 11.066 0.766 890 HG21 ILE 111 HG21 ILE 111 -0.981 13.419 -1.405 891 HG22 ILE 111 HG22 ILE 111 -1.045 11.658 -1.418 892 HG23 ILE 111 HG23 ILE 111 -2.223 12.564 -2.365 893 HD11 ILE 111 HD11 ILE 111 0.180 12.966 0.516 894 HD12 ILE 111 HD12 ILE 111 -0.814 13.901 1.670 895 HD13 ILE 111 HD13 ILE 111 -0.011 12.403 2.171 896 H LYS 112 H LYS 112 -3.157 14.389 -2.635 897 HA LYS 112 HA LYS 112 -6.077 14.797 -3.025 898 HB2 LYS 112 HB2 LYS 112 -3.811 15.813 -4.778 899 HB3 LYS 112 HB3 LYS 112 -5.488 15.932 -5.158 900 HG2 LYS 112 HG2 LYS 112 -4.542 17.120 -2.556 901 HG3 LYS 112 HG3 LYS 112 -4.151 17.930 -4.077 902 HD2 LYS 112 HD2 LYS 112 -6.481 18.130 -4.686 903 HD3 LYS 112 HD3 LYS 112 -6.964 17.002 -3.419 904 HE2 LYS 112 HE2 LYS 112 -7.474 19.368 -2.870 905 HE3 LYS 112 HE3 LYS 112 -6.502 18.457 -1.713 906 HZ1 LYS 112 HZ1 LYS 112 -5.394 20.445 -3.640 907 HZ2 LYS 112 HZ2 LYS 112 -4.536 19.595 -2.509 908 HZ3 LYS 112 HZ3 LYS 112 -5.613 20.702 -2.038 909 H ASP 113 H ASP 113 -6.534 14.030 -5.343 910 HA ASP 113 HA ASP 113 -5.677 11.293 -5.795 911 HB2 ASP 113 HB2 ASP 113 -7.978 12.242 -6.047 912 HB3 ASP 113 HB3 ASP 113 -7.401 13.193 -7.405 913 H GLY 114 H GLY 114 -3.435 13.099 -5.971 914 HA2 GLY 114 HA2 GLY 114 -2.114 12.262 -8.261 915 HA3 GLY 114 HA3 GLY 114 -2.855 13.785 -8.740 916 H GLU 115 H GLU 115 -1.224 12.732 -5.671 917 HA GLU 115 HA GLU 115 0.423 15.220 -5.787 918 HB2 GLU 115 HB2 GLU 115 -0.441 13.350 -3.594 919 HB3 GLU 115 HB3 GLU 115 0.800 14.548 -3.295 920 HG2 GLU 115 HG2 GLU 115 -1.969 15.203 -4.248 921 HG3 GLU 115 HG3 GLU 115 -1.448 15.287 -2.578 922 H LYS 116 H LYS 116 1.040 12.796 -7.294 923 HA LYS 116 HA LYS 116 2.812 11.380 -7.808 924 HB2 LYS 116 HB2 LYS 116 3.746 14.197 -7.490 925 HB3 LYS 116 HB3 LYS 116 5.008 12.966 -7.680 926 HG2 LYS 116 HG2 LYS 116 3.973 12.084 -9.695 927 HG3 LYS 116 HG3 LYS 116 2.656 13.252 -9.545 928 HD2 LYS 116 HD2 LYS 116 4.301 15.122 -9.762 929 HD3 LYS 116 HD3 LYS 116 5.611 13.915 -9.850 930 HE2 LYS 116 HE2 LYS 116 4.161 12.942 -11.848 931 HE3 LYS 116 HE3 LYS 116 3.467 14.574 -11.884 932 HZ1 LYS 116 HZ1 LYS 116 5.366 14.359 -13.323 933 HZ2 LYS 116 HZ2 LYS 116 6.301 13.799 -12.112 934 HZ3 LYS 116 HZ3 LYS 116 5.767 15.391 -12.076 935 H VAL 117 H VAL 117 2.989 9.743 -6.414 936 HA VAL 117 HA VAL 117 4.497 10.076 -3.924 937 HB VAL 117 HB VAL 117 2.702 8.457 -3.954 938 HG11 VAL 117 HG11 VAL 117 2.930 6.242 -5.064 939 HG12 VAL 117 HG12 VAL 117 2.684 7.572 -6.191 940 HG13 VAL 117 HG13 VAL 117 4.308 6.865 -5.984 941 HG21 VAL 117 HG21 VAL 117 3.823 6.624 -2.853 942 HG22 VAL 117 HG22 VAL 117 5.385 7.124 -3.546 943 HG23 VAL 117 HG23 VAL 117 4.531 8.179 -2.397 944 H ALA 118 H ALA 118 6.637 9.597 -3.752 945 HA ALA 118 HA ALA 118 8.081 8.192 -5.967 946 HB1 ALA 118 HB1 ALA 118 9.070 10.549 -4.310 947 HB2 ALA 118 HB2 ALA 118 10.132 9.449 -5.237 948 HB3 ALA 118 HB3 ALA 118 8.934 10.423 -6.086 949 H VAL 119 H VAL 119 7.957 6.285 -5.054 950 HA VAL 119 HA VAL 119 8.094 5.536 -2.264 951 HB VAL 119 HB VAL 119 8.266 3.936 -4.875 952 HG11 VAL 119 HG11 VAL 119 7.642 3.106 -2.044 953 HG12 VAL 119 HG12 VAL 119 7.430 2.064 -3.482 954 HG13 VAL 119 HG13 VAL 119 9.033 2.614 -3.049 955 HG21 VAL 119 HG21 VAL 119 5.787 4.676 -3.268 956 HG22 VAL 119 HG22 VAL 119 6.155 5.128 -4.942 957 HG23 VAL 119 HG23 VAL 119 5.843 3.449 -4.560 958 H ARG 120 H ARG 120 9.959 4.748 -1.225 959 HA ARG 120 HA ARG 120 12.420 4.114 -2.765 960 HB2 ARG 120 HB2 ARG 120 12.678 5.657 -0.229 961 HB3 ARG 120 HB3 ARG 120 13.828 5.381 -1.525 962 HG2 ARG 120 HG2 ARG 120 12.404 6.891 -2.989 963 HG3 ARG 120 HG3 ARG 120 11.428 7.288 -1.559 964 HD2 ARG 120 HD2 ARG 120 14.434 7.500 -1.677 965 HD3 ARG 120 HD3 ARG 120 13.364 8.849 -2.103 966 HE ARG 120 HE ARG 120 12.461 8.117 0.375 967 HH11 ARG 120 HH11 ARG 120 15.776 8.961 -0.676 968 HH12 ARG 120 HH12 ARG 120 15.971 10.102 0.625 969 HH21 ARG 120 HH21 ARG 120 13.011 9.233 2.337 970 HH22 ARG 120 HH22 ARG 120 14.569 9.928 2.496 971 H PHE 121 H PHE 121 14.056 3.103 -0.875 972 HA PHE 121 HA PHE 121 12.626 0.804 0.236 973 HB2 PHE 121 HB2 PHE 121 15.507 1.695 -0.142 974 HB3 PHE 121 HB3 PHE 121 15.172 0.414 1.019 975 HD1 PHE 121 HD1 PHE 121 13.496 -1.363 0.308 976 HD2 PHE 121 HD2 PHE 121 15.673 1.089 -2.376 977 HE1 PHE 121 HE1 PHE 121 13.302 -3.198 -1.447 978 HE2 PHE 121 HE2 PHE 121 15.567 -0.741 -4.170 979 HZ PHE 121 HZ PHE 121 14.464 -2.873 -3.652 980 H ALA 122 H ALA 122 13.317 3.592 1.312 981 HA ALA 122 HA ALA 122 13.404 4.800 3.382 982 HB1 ALA 122 HB1 ALA 122 11.541 3.088 4.082 983 HB2 ALA 122 HB2 ALA 122 12.864 2.375 5.022 984 HB3 ALA 122 HB3 ALA 122 12.394 4.064 5.313 985 H SER 123 H SER 123 14.477 3.862 5.754 986 HA SER 123 HA SER 123 16.378 4.251 6.722 987 HB2 SER 123 HB2 SER 123 17.813 2.206 6.775 988 HB3 SER 123 HB3 SER 123 16.124 2.120 7.200 989 HG SER 123 HG SER 123 17.281 1.137 4.824 990 H SER 124 H SER 124 16.407 5.243 4.061 991 HA SER 124 HA SER 124 19.085 6.462 4.075 992 HB2 SER 124 HB2 SER 124 16.338 7.407 3.118 993 HB3 SER 124 HB3 SER 124 17.831 8.318 2.953 994 HG SER 124 HG SER 124 17.847 5.672 1.958 Start of MODEL 2 1 H1 MET 1 H1 MET 1 11.108 -5.994 5.368 2 HA MET 1 HA MET 1 13.214 -4.390 4.029 3 HB2 MET 1 HB2 MET 1 12.818 -6.136 2.611 4 HB3 MET 1 HB3 MET 1 11.064 -6.165 2.857 5 HG2 MET 1 HG2 MET 1 10.777 -4.252 1.537 6 HG3 MET 1 HG3 MET 1 12.510 -3.873 1.522 7 HE1 MET 1 HE1 MET 1 13.984 -6.866 -0.288 8 HE2 MET 1 HE2 MET 1 14.139 -5.208 -0.927 9 HE3 MET 1 HE3 MET 1 14.202 -5.497 0.820 10 H ARG 2 H ARG 2 12.856 -2.504 5.017 11 HA ARG 2 HA ARG 2 10.289 -1.336 5.464 12 HB2 ARG 2 HB2 ARG 2 13.187 -0.501 5.438 13 HB3 ARG 2 HB3 ARG 2 12.036 0.789 5.219 14 HG2 ARG 2 HG2 ARG 2 11.421 -1.185 7.370 15 HG3 ARG 2 HG3 ARG 2 12.820 -0.093 7.655 16 HD2 ARG 2 HD2 ARG 2 11.229 1.799 6.958 17 HD3 ARG 2 HD3 ARG 2 9.935 0.604 7.008 18 HE ARG 2 HE ARG 2 11.107 2.075 9.136 19 HH11 ARG 2 HH11 ARG 2 10.116 -1.394 8.751 20 HH12 ARG 2 HH12 ARG 2 9.741 -1.513 10.414 21 HH21 ARG 2 HH21 ARG 2 10.060 1.935 11.104 22 HH22 ARG 2 HH22 ARG 2 9.735 0.417 11.847 23 H VAL 3 H VAL 3 9.362 0.454 4.430 24 HA VAL 3 HA VAL 3 10.398 1.382 1.897 25 HB VAL 3 HB VAL 3 7.691 -0.012 2.105 26 HG11 VAL 3 HG11 VAL 3 7.055 0.808 -0.115 27 HG12 VAL 3 HG12 VAL 3 7.157 2.141 1.029 28 HG13 VAL 3 HG13 VAL 3 8.478 1.864 -0.119 29 HG21 VAL 3 HG21 VAL 3 9.303 -1.522 1.348 30 HG22 VAL 3 HG22 VAL 3 8.509 -0.991 -0.135 31 HG23 VAL 3 HG23 VAL 3 10.091 -0.313 0.286 32 H GLU 4 H GLU 4 9.624 3.494 1.410 33 HA GLU 4 HA GLU 4 7.759 4.916 3.287 34 HB2 GLU 4 HB2 GLU 4 10.046 5.632 3.634 35 HB3 GLU 4 HB3 GLU 4 10.219 5.948 1.875 36 HG2 GLU 4 HG2 GLU 4 8.545 7.766 2.019 37 HG3 GLU 4 HG3 GLU 4 8.309 7.324 3.722 38 H LEU 5 H LEU 5 6.034 6.136 2.097 39 HA LEU 5 HA LEU 5 5.962 5.881 -0.720 40 HB2 LEU 5 HB2 LEU 5 3.711 6.066 1.323 41 HB3 LEU 5 HB3 LEU 5 3.615 6.072 -0.434 42 HG LEU 5 HG LEU 5 4.473 3.826 1.472 43 HD11 LEU 5 HD11 LEU 5 2.466 2.704 0.429 44 HD12 LEU 5 HD12 LEU 5 2.074 4.266 -0.308 45 HD13 LEU 5 HD13 LEU 5 2.111 4.106 1.461 46 HD21 LEU 5 HD21 LEU 5 4.559 2.331 -0.493 47 HD22 LEU 5 HD22 LEU 5 5.806 3.576 -0.595 48 HD23 LEU 5 HD23 LEU 5 4.323 3.736 -1.568 49 H LEU 6 H LEU 6 6.363 7.970 -1.307 50 HA LEU 6 HA LEU 6 6.256 10.146 0.675 51 HB2 LEU 6 HB2 LEU 6 8.445 9.044 -0.348 52 HB3 LEU 6 HB3 LEU 6 8.034 9.920 -1.790 53 HG LEU 6 HG LEU 6 8.610 11.261 0.876 54 HD11 LEU 6 HD11 LEU 6 10.080 10.952 -1.770 55 HD12 LEU 6 HD12 LEU 6 10.460 10.079 -0.281 56 HD13 LEU 6 HD13 LEU 6 10.709 11.843 -0.367 57 HD21 LEU 6 HD21 LEU 6 7.200 12.833 -0.208 58 HD22 LEU 6 HD22 LEU 6 7.744 12.349 -1.838 59 HD23 LEU 6 HD23 LEU 6 8.783 13.312 -0.804 60 H PHE 7 H PHE 7 5.196 12.047 -0.096 61 HA PHE 7 HA PHE 7 3.949 11.847 -2.804 62 HB2 PHE 7 HB2 PHE 7 2.798 13.097 -0.339 63 HB3 PHE 7 HB3 PHE 7 1.936 12.629 -1.794 64 HD1 PHE 7 HD1 PHE 7 2.357 10.184 -2.367 65 HD2 PHE 7 HD2 PHE 7 2.647 11.542 1.619 66 HE1 PHE 7 HE1 PHE 7 1.780 7.846 -1.518 67 HE2 PHE 7 HE2 PHE 7 2.028 9.300 2.494 68 HZ PHE 7 HZ PHE 7 1.504 7.456 0.909 69 H GLU 8 H GLU 8 3.238 14.088 -3.660 70 HA GLU 8 HA GLU 8 5.317 16.070 -3.354 71 HB2 GLU 8 HB2 GLU 8 2.466 16.372 -4.320 72 HB3 GLU 8 HB3 GLU 8 3.712 17.590 -4.455 73 HG2 GLU 8 HG2 GLU 8 4.924 15.379 -5.630 74 HG3 GLU 8 HG3 GLU 8 3.224 15.202 -6.090 75 H SER 9 H SER 9 2.622 15.211 -1.295 76 HA SER 9 HA SER 9 2.650 17.996 -0.110 77 HB2 SER 9 HB2 SER 9 0.496 16.145 -0.673 78 HB3 SER 9 HB3 SER 9 0.568 16.438 1.059 79 HG SER 9 HG SER 9 0.432 18.366 -1.010 80 H GLY 10 H GLY 10 3.637 14.749 0.728 81 HA2 GLY 10 HA2 GLY 10 4.666 15.235 3.290 82 HA3 GLY 10 HA3 GLY 10 3.018 14.598 3.474 83 H LYS 11 H LYS 11 3.960 12.576 4.396 84 HA LYS 11 HA LYS 11 4.452 10.581 2.353 85 HB2 LYS 11 HB2 LYS 11 6.747 10.037 3.020 86 HB3 LYS 11 HB3 LYS 11 6.533 11.577 2.215 87 HG2 LYS 11 HG2 LYS 11 6.586 12.671 4.566 88 HG3 LYS 11 HG3 LYS 11 7.119 11.093 5.143 89 HD2 LYS 11 HD2 LYS 11 9.065 11.247 3.527 90 HD3 LYS 11 HD3 LYS 11 8.425 12.820 2.990 91 HE2 LYS 11 HE2 LYS 11 9.943 13.525 4.578 92 HE3 LYS 11 HE3 LYS 11 8.458 13.425 5.546 93 HZ1 LYS 11 HZ1 LYS 11 9.286 11.062 6.052 94 HZ2 LYS 11 HZ2 LYS 11 10.152 12.288 6.742 95 HZ3 LYS 11 HZ3 LYS 11 10.718 11.569 5.392 96 H CYS 12 H CYS 12 4.700 8.459 3.243 97 HA CYS 12 HA CYS 12 4.394 8.166 6.143 98 HB2 CYS 12 HB2 CYS 12 2.540 6.662 6.054 99 HB3 CYS 12 HB3 CYS 12 2.088 8.090 5.106 100 HG CYS 12 HG CYS 12 3.138 5.105 4.167 101 H VAL 13 H VAL 13 4.438 5.680 6.628 102 HA VAL 13 HA VAL 13 6.693 4.530 5.029 103 HB VAL 13 HB VAL 13 6.721 4.508 8.041 104 HG11 VAL 13 HG11 VAL 13 9.071 4.445 6.116 105 HG12 VAL 13 HG12 VAL 13 9.009 3.899 7.807 106 HG13 VAL 13 HG13 VAL 13 8.190 2.986 6.527 107 HG21 VAL 13 HG21 VAL 13 6.761 6.917 7.473 108 HG22 VAL 13 HG22 VAL 13 8.308 6.363 8.033 109 HG23 VAL 13 HG23 VAL 13 8.098 6.591 6.290 110 H ILE 14 H ILE 14 6.467 2.367 4.597 111 HA ILE 14 HA ILE 14 4.436 0.927 6.113 112 HB ILE 14 HB ILE 14 3.609 -0.123 4.181 113 HG12 ILE 14 HG12 ILE 14 5.443 1.555 2.427 114 HG13 ILE 14 HG13 ILE 14 5.658 -0.164 2.803 115 HG21 ILE 14 HG21 ILE 14 3.659 2.891 3.647 116 HG22 ILE 14 HG22 ILE 14 2.397 1.758 3.145 117 HG23 ILE 14 HG23 ILE 14 2.643 2.088 4.857 118 HD11 ILE 14 HD11 ILE 14 3.300 0.921 1.293 119 HD12 ILE 14 HD12 ILE 14 4.683 0.026 0.645 120 HD13 ILE 14 HD13 ILE 14 3.576 -0.756 1.796 121 H ASP 15 H ASP 15 5.167 -0.962 6.924 122 HA ASP 15 HA ASP 15 7.966 -1.728 6.217 123 HB2 ASP 15 HB2 ASP 15 7.093 -1.429 8.636 124 HB3 ASP 15 HB3 ASP 15 6.242 -2.949 8.379 125 H LEU 16 H LEU 16 8.383 -3.613 4.952 126 HA LEU 16 HA LEU 16 6.101 -5.505 4.585 127 HB2 LEU 16 HB2 LEU 16 8.132 -4.393 2.664 128 HB3 LEU 16 HB3 LEU 16 7.242 -5.852 2.289 129 HG LEU 16 HG LEU 16 5.876 -3.202 2.936 130 HD11 LEU 16 HD11 LEU 16 7.426 -2.959 1.010 131 HD12 LEU 16 HD12 LEU 16 5.728 -2.794 0.558 132 HD13 LEU 16 HD13 LEU 16 6.608 -4.305 0.194 133 HD21 LEU 16 HD21 LEU 16 4.873 -5.576 1.290 134 HD22 LEU 16 HD22 LEU 16 3.956 -4.173 1.872 135 HD23 LEU 16 HD23 LEU 16 4.561 -5.367 3.024 136 H ASN 17 H ASN 17 6.465 -7.513 4.822 137 HA ASN 17 HA ASN 17 8.904 -8.573 6.048 138 HB2 ASN 17 HB2 ASN 17 6.476 -9.274 6.654 139 HB3 ASN 17 HB3 ASN 17 6.444 -10.058 5.105 140 HD21 ASN 17 HD21 ASN 17 6.108 -12.027 6.779 141 HD22 ASN 17 HD22 ASN 17 7.605 -12.772 7.317 142 H GLU 18 H GLU 18 10.438 -9.795 4.957 143 HA GLU 18 HA GLU 18 10.304 -10.113 2.044 144 HB2 GLU 18 HB2 GLU 18 12.515 -10.355 4.117 145 HB3 GLU 18 HB3 GLU 18 12.750 -10.818 2.443 146 HG2 GLU 18 HG2 GLU 18 11.864 -8.445 1.861 147 HG3 GLU 18 HG3 GLU 18 12.238 -8.103 3.557 148 H GLU 19 H GLU 19 8.423 -11.942 3.316 149 HA GLU 19 HA GLU 19 9.696 -14.449 2.354 150 HB2 GLU 19 HB2 GLU 19 7.628 -14.452 4.570 151 HB3 GLU 19 HB3 GLU 19 8.562 -15.782 3.920 152 HG2 GLU 19 HG2 GLU 19 10.626 -14.766 4.879 153 HG3 GLU 19 HG3 GLU 19 9.631 -13.495 5.610 154 H TYR 20 H TYR 20 8.225 -12.312 0.957 155 HA TYR 20 HA TYR 20 6.020 -14.017 -0.073 156 HB2 TYR 20 HB2 TYR 20 5.846 -10.996 0.147 157 HB3 TYR 20 HB3 TYR 20 4.623 -12.081 -0.456 158 HD1 TYR 20 HD1 TYR 20 4.251 -14.141 1.547 159 HD2 TYR 20 HD2 TYR 20 5.106 -9.979 2.071 160 HE1 TYR 20 HE1 TYR 20 3.239 -14.233 3.794 161 HE2 TYR 20 HE2 TYR 20 4.240 -10.053 4.405 162 HH TYR 20 HH TYR 20 3.347 -13.094 5.873 163 H GLU 21 H GLU 21 6.041 -14.177 -2.218 164 HA GLU 21 HA GLU 21 8.024 -13.582 -4.017 165 HB2 GLU 21 HB2 GLU 21 5.961 -14.999 -4.380 166 HB3 GLU 21 HB3 GLU 21 4.999 -13.539 -4.492 167 HG2 GLU 21 HG2 GLU 21 5.282 -13.984 -6.718 168 HG3 GLU 21 HG3 GLU 21 6.636 -12.893 -6.476 169 H VAL 22 H VAL 22 5.044 -11.571 -3.707 170 HA VAL 22 HA VAL 22 5.840 -9.680 -5.574 171 HB VAL 22 HB VAL 22 3.544 -9.981 -4.721 172 HG11 VAL 22 HG11 VAL 22 3.980 -10.466 -2.341 173 HG12 VAL 22 HG12 VAL 22 4.448 -8.763 -2.097 174 HG13 VAL 22 HG13 VAL 22 2.807 -9.168 -2.534 175 HG21 VAL 22 HG21 VAL 22 3.979 -7.753 -5.673 176 HG22 VAL 22 HG22 VAL 22 2.818 -7.653 -4.334 177 HG23 VAL 22 HG23 VAL 22 4.488 -7.155 -4.079 178 H VAL 23 H VAL 23 6.728 -9.670 -2.141 179 HA VAL 23 HA VAL 23 7.733 -6.975 -2.102 180 HB VAL 23 HB VAL 23 8.332 -9.402 -0.345 181 HG11 VAL 23 HG11 VAL 23 10.003 -7.672 0.022 182 HG12 VAL 23 HG12 VAL 23 8.741 -6.428 0.153 183 HG13 VAL 23 HG13 VAL 23 8.897 -7.682 1.393 184 HG21 VAL 23 HG21 VAL 23 5.873 -8.756 -0.448 185 HG22 VAL 23 HG22 VAL 23 6.654 -8.674 1.096 186 HG23 VAL 23 HG23 VAL 23 6.341 -7.164 0.187 187 H LYS 24 H LYS 24 9.185 -10.259 -2.620 188 HA LYS 24 HA LYS 24 11.869 -9.449 -2.963 189 HB2 LYS 24 HB2 LYS 24 10.363 -11.653 -4.475 190 HB3 LYS 24 HB3 LYS 24 12.097 -11.464 -4.307 191 HG2 LYS 24 HG2 LYS 24 12.115 -11.909 -2.052 192 HG3 LYS 24 HG3 LYS 24 10.354 -11.953 -1.901 193 HD2 LYS 24 HD2 LYS 24 10.166 -13.909 -3.284 194 HD3 LYS 24 HD3 LYS 24 11.836 -13.823 -3.798 195 HE2 LYS 24 HE2 LYS 24 10.867 -14.460 -0.976 196 HE3 LYS 24 HE3 LYS 24 11.445 -15.613 -2.178 197 HZ1 LYS 24 HZ1 LYS 24 13.601 -14.317 -2.125 198 HZ2 LYS 24 HZ2 LYS 24 13.253 -15.185 -0.763 199 HZ3 LYS 24 HZ3 LYS 24 13.022 -13.582 -0.772 200 H LEU 25 H LEU 25 9.177 -9.655 -5.389 201 HA LEU 25 HA LEU 25 10.833 -8.965 -7.624 202 HB2 LEU 25 HB2 LEU 25 7.851 -8.837 -6.976 203 HB3 LEU 25 HB3 LEU 25 8.455 -8.354 -8.550 204 HG LEU 25 HG LEU 25 7.541 -10.779 -7.961 205 HD11 LEU 25 HD11 LEU 25 8.725 -11.639 -9.941 206 HD12 LEU 25 HD12 LEU 25 9.904 -10.300 -9.810 207 HD13 LEU 25 HD13 LEU 25 8.210 -9.949 -10.214 208 HD21 LEU 25 HD21 LEU 25 9.002 -11.609 -6.438 209 HD22 LEU 25 HD22 LEU 25 10.439 -11.259 -7.423 210 HD23 LEU 25 HD23 LEU 25 9.289 -12.508 -7.889 211 H LEU 26 H LEU 26 8.767 -7.039 -5.507 212 HA LEU 26 HA LEU 26 8.982 -4.538 -6.680 213 HB2 LEU 26 HB2 LEU 26 8.156 -5.693 -4.139 214 HB3 LEU 26 HB3 LEU 26 9.105 -4.307 -3.806 215 HG LEU 26 HG LEU 26 6.645 -4.530 -5.531 216 HD11 LEU 26 HD11 LEU 26 5.580 -3.091 -3.793 217 HD12 LEU 26 HD12 LEU 26 7.138 -3.030 -2.911 218 HD13 LEU 26 HD13 LEU 26 6.262 -4.561 -3.079 219 HD21 LEU 26 HD21 LEU 26 8.082 -1.903 -4.998 220 HD22 LEU 26 HD22 LEU 26 6.511 -2.076 -5.778 221 HD23 LEU 26 HD23 LEU 26 7.961 -2.697 -6.559 222 H LYS 27 H LYS 27 11.488 -6.291 -4.921 223 HA LYS 27 HA LYS 27 12.892 -4.014 -4.006 224 HB2 LYS 27 HB2 LYS 27 13.298 -6.219 -3.139 225 HB3 LYS 27 HB3 LYS 27 13.764 -6.832 -4.743 226 HG2 LYS 27 HG2 LYS 27 15.790 -5.736 -4.801 227 HG3 LYS 27 HG3 LYS 27 15.406 -4.680 -3.472 228 HD2 LYS 27 HD2 LYS 27 16.257 -6.191 -1.988 229 HD3 LYS 27 HD3 LYS 27 15.093 -7.425 -2.527 230 HE2 LYS 27 HE2 LYS 27 16.536 -7.915 -4.471 231 HE3 LYS 27 HE3 LYS 27 17.688 -6.709 -3.886 232 HZ1 LYS 27 HZ1 LYS 27 18.324 -8.068 -2.144 233 HZ2 LYS 27 HZ2 LYS 27 17.972 -9.258 -3.240 234 HZ3 LYS 27 HZ3 LYS 27 16.920 -8.894 -2.050 235 H GLU 28 H GLU 28 12.618 -5.499 -7.178 236 HA GLU 28 HA GLU 28 15.053 -4.224 -8.202 237 HB2 GLU 28 HB2 GLU 28 12.642 -5.592 -9.510 238 HB3 GLU 28 HB3 GLU 28 13.937 -4.907 -10.475 239 HG2 GLU 28 HG2 GLU 28 14.528 -6.838 -8.235 240 HG3 GLU 28 HG3 GLU 28 13.921 -7.464 -9.714 241 H LYS 29 H LYS 29 11.572 -3.523 -7.979 242 HA LYS 29 HA LYS 29 11.542 -1.330 -9.760 243 HB2 LYS 29 HB2 LYS 29 9.503 -2.908 -8.188 244 HB3 LYS 29 HB3 LYS 29 9.100 -1.399 -8.989 245 HG2 LYS 29 HG2 LYS 29 8.542 -3.106 -10.519 246 HG3 LYS 29 HG3 LYS 29 9.986 -2.254 -11.099 247 HD2 LYS 29 HD2 LYS 29 11.390 -4.019 -10.673 248 HD3 LYS 29 HD3 LYS 29 10.305 -4.720 -9.516 249 HE2 LYS 29 HE2 LYS 29 9.219 -5.930 -11.208 250 HE3 LYS 29 HE3 LYS 29 9.012 -4.442 -12.157 251 HZ1 LYS 29 HZ1 LYS 29 11.310 -4.690 -12.881 252 HZ2 LYS 29 HZ2 LYS 29 10.385 -5.947 -13.394 253 HZ3 LYS 29 HZ3 LYS 29 11.426 -6.154 -12.140 254 H ILE 30 H ILE 30 13.082 -1.098 -6.996 255 HA ILE 30 HA ILE 30 11.469 1.186 -5.996 256 HB ILE 30 HB ILE 30 12.656 -1.006 -4.311 257 HG12 ILE 30 HG12 ILE 30 9.870 0.253 -4.354 258 HG13 ILE 30 HG13 ILE 30 10.269 -1.185 -5.222 259 HG21 ILE 30 HG21 ILE 30 13.208 1.294 -3.308 260 HG22 ILE 30 HG22 ILE 30 11.446 1.592 -3.236 261 HG23 ILE 30 HG23 ILE 30 12.183 0.287 -2.312 262 HD11 ILE 30 HD11 ILE 30 9.221 -1.858 -3.149 263 HD12 ILE 30 HD12 ILE 30 10.935 -2.307 -3.071 264 HD13 ILE 30 HD13 ILE 30 10.321 -0.877 -2.202 265 HA PRO 31 HA PRO 31 11.760 2.987 -4.885 266 HB2 PRO 31 HB2 PRO 31 12.348 5.614 -5.502 267 HB3 PRO 31 HB3 PRO 31 13.025 4.796 -4.066 268 HG2 PRO 31 HG2 PRO 31 14.355 5.227 -6.730 269 HG3 PRO 31 HG3 PRO 31 15.004 5.484 -5.068 270 HD2 PRO 31 HD2 PRO 31 15.495 3.188 -6.526 271 HD3 PRO 31 HD3 PRO 31 15.343 3.184 -4.746 272 H PHE 32 H PHE 32 9.923 4.006 -5.942 273 HA PHE 32 HA PHE 32 10.188 4.461 -8.758 274 HB2 PHE 32 HB2 PHE 32 8.477 3.071 -9.578 275 HB3 PHE 32 HB3 PHE 32 9.567 2.054 -8.702 276 HD1 PHE 32 HD1 PHE 32 8.808 1.383 -6.251 277 HD2 PHE 32 HD2 PHE 32 6.192 3.261 -9.101 278 HE1 PHE 32 HE1 PHE 32 6.833 0.340 -5.137 279 HE2 PHE 32 HE2 PHE 32 4.221 2.386 -7.894 280 HZ PHE 32 HZ PHE 32 4.537 0.873 -5.939 281 H GLU 33 H GLU 33 8.051 5.436 -9.689 282 HA GLU 33 HA GLU 33 6.602 6.916 -7.543 283 HB2 GLU 33 HB2 GLU 33 7.775 7.911 -10.137 284 HB3 GLU 33 HB3 GLU 33 6.677 8.862 -9.125 285 HG2 GLU 33 HG2 GLU 33 8.330 8.998 -7.387 286 HG3 GLU 33 HG3 GLU 33 9.328 7.751 -8.097 287 H SER 34 H SER 34 4.497 7.565 -8.229 288 HA SER 34 HA SER 34 3.267 6.563 -10.657 289 HB2 SER 34 HB2 SER 34 3.716 4.448 -9.308 290 HB3 SER 34 HB3 SER 34 2.662 5.083 -8.066 291 HG SER 34 HG SER 34 2.063 3.640 -10.158 292 H VAL 35 H VAL 35 0.850 6.927 -10.529 293 HA VAL 35 HA VAL 35 0.407 9.535 -9.308 294 HB VAL 35 HB VAL 35 -1.713 7.721 -10.547 295 HG11 VAL 35 HG11 VAL 35 -2.502 9.586 -9.239 296 HG12 VAL 35 HG12 VAL 35 -1.422 10.687 -10.106 297 HG13 VAL 35 HG13 VAL 35 -2.805 9.919 -10.951 298 HG21 VAL 35 HG21 VAL 35 0.077 9.730 -11.995 299 HG22 VAL 35 HG22 VAL 35 0.099 7.979 -12.247 300 HG23 VAL 35 HG23 VAL 35 -1.341 8.906 -12.690 301 H VAL 36 H VAL 36 -0.468 9.835 -7.243 302 HA VAL 36 HA VAL 36 -1.184 7.591 -5.616 303 HB VAL 36 HB VAL 36 -1.531 10.579 -4.904 304 HG11 VAL 36 HG11 VAL 36 -0.672 8.139 -3.288 305 HG12 VAL 36 HG12 VAL 36 -1.233 9.701 -2.675 306 HG13 VAL 36 HG13 VAL 36 -2.488 8.770 -3.466 307 HG21 VAL 36 HG21 VAL 36 1.047 9.428 -5.427 308 HG22 VAL 36 HG22 VAL 36 0.642 11.021 -4.679 309 HG23 VAL 36 HG23 VAL 36 0.794 9.485 -3.766 310 H ASN 37 H ASN 37 -2.917 6.845 -6.995 311 HA ASN 37 HA ASN 37 -5.357 8.459 -7.478 312 HB2 ASN 37 HB2 ASN 37 -4.910 5.439 -7.514 313 HB3 ASN 37 HB3 ASN 37 -6.314 6.300 -8.147 314 HD21 ASN 37 HD21 ASN 37 -3.820 4.592 -9.297 315 HD22 ASN 37 HD22 ASN 37 -3.443 5.544 -10.731 316 H THR 38 H THR 38 -7.334 8.115 -6.238 317 HA THR 38 HA THR 38 -6.966 6.853 -3.557 318 HB THR 38 HB THR 38 -8.067 8.905 -2.601 319 HG1 THR 38 HG1 THR 38 -7.743 9.728 -5.264 320 HG21 THR 38 HG21 THR 38 -5.752 8.961 -2.153 321 HG22 THR 38 HG22 THR 38 -6.106 10.553 -2.773 322 HG23 THR 38 HG23 THR 38 -5.301 9.378 -3.813 323 H TRP 39 H TRP 39 -9.054 6.478 -2.455 324 HA TRP 39 HA TRP 39 -11.537 6.844 -3.958 325 HB2 TRP 39 HB2 TRP 39 -10.778 4.924 -5.139 326 HB3 TRP 39 HB3 TRP 39 -10.200 4.141 -3.675 327 HD1 TRP 39 HD1 TRP 39 -13.467 4.957 -5.519 328 HE1 TRP 39 HE1 TRP 39 -15.110 3.072 -5.079 329 HE3 TRP 39 HE3 TRP 39 -10.886 2.501 -1.861 330 HZ2 TRP 39 HZ2 TRP 39 -15.230 0.679 -3.447 331 HZ3 TRP 39 HZ3 TRP 39 -11.673 0.301 -1.028 332 HH2 TRP 39 HH2 TRP 39 -13.808 -0.646 -1.851 333 H GLY 40 H GLY 40 -12.121 8.005 -2.073 334 HA2 GLY 40 HA2 GLY 40 -13.066 8.230 0.020 335 HA3 GLY 40 HA3 GLY 40 -13.665 6.640 -0.318 336 H GLU 41 H GLU 41 -11.255 8.464 1.441 337 HA GLU 41 HA GLU 41 -9.580 8.096 2.812 338 HB2 GLU 41 HB2 GLU 41 -12.014 6.818 3.842 339 HB3 GLU 41 HB3 GLU 41 -10.545 6.208 4.588 340 HG2 GLU 41 HG2 GLU 41 -11.360 7.982 5.878 341 HG3 GLU 41 HG3 GLU 41 -9.848 8.495 5.168 342 H GLU 42 H GLU 42 -9.448 6.403 0.342 343 HA GLU 42 HA GLU 42 -7.324 4.634 1.379 344 HB2 GLU 42 HB2 GLU 42 -9.653 3.690 0.224 345 HB3 GLU 42 HB3 GLU 42 -8.699 3.979 -1.217 346 HG2 GLU 42 HG2 GLU 42 -6.882 2.518 -0.174 347 HG3 GLU 42 HG3 GLU 42 -8.036 2.196 1.148 348 H ILE 43 H ILE 43 -5.533 4.504 0.113 349 HA ILE 43 HA ILE 43 -5.241 6.265 -2.257 350 HB ILE 43 HB ILE 43 -3.373 5.845 0.086 351 HG12 ILE 43 HG12 ILE 43 -3.823 8.546 -1.175 352 HG13 ILE 43 HG13 ILE 43 -5.063 7.875 -0.112 353 HG21 ILE 43 HG21 ILE 43 -1.878 5.496 -1.730 354 HG22 ILE 43 HG22 ILE 43 -2.641 6.753 -2.720 355 HG23 ILE 43 HG23 ILE 43 -1.651 7.194 -1.314 356 HD11 ILE 43 HD11 ILE 43 -2.146 8.343 0.629 357 HD12 ILE 43 HD12 ILE 43 -3.570 9.237 1.212 358 HD13 ILE 43 HD13 ILE 43 -3.359 7.529 1.652 359 H TYR 44 H TYR 44 -4.237 5.189 -3.919 360 HA TYR 44 HA TYR 44 -2.677 2.806 -3.411 361 HB2 TYR 44 HB2 TYR 44 -3.856 1.472 -5.094 362 HB3 TYR 44 HB3 TYR 44 -4.845 1.773 -3.677 363 HD1 TYR 44 HD1 TYR 44 -6.750 3.453 -3.819 364 HD2 TYR 44 HD2 TYR 44 -4.526 2.182 -7.292 365 HE1 TYR 44 HE1 TYR 44 -8.445 4.479 -5.279 366 HE2 TYR 44 HE2 TYR 44 -6.265 3.165 -8.763 367 HH TYR 44 HH TYR 44 -9.130 4.819 -7.438 368 H PHE 45 H PHE 45 -1.711 2.152 -5.653 369 HA PHE 45 HA PHE 45 -1.718 4.241 -7.674 370 HB2 PHE 45 HB2 PHE 45 0.904 4.187 -7.483 371 HB3 PHE 45 HB3 PHE 45 0.004 5.351 -6.571 372 HD1 PHE 45 HD1 PHE 45 -0.333 5.110 -4.122 373 HD2 PHE 45 HD2 PHE 45 2.121 2.381 -6.394 374 HE1 PHE 45 HE1 PHE 45 0.637 4.245 -2.024 375 HE2 PHE 45 HE2 PHE 45 3.183 1.593 -4.266 376 HZ PHE 45 HZ PHE 45 2.447 2.554 -2.099 377 H SER 46 H SER 46 -0.668 3.427 -9.619 378 HA SER 46 HA SER 46 -0.985 0.554 -9.846 379 HB2 SER 46 HB2 SER 46 -0.272 1.039 -12.236 380 HB3 SER 46 HB3 SER 46 -1.806 1.720 -11.669 381 HG SER 46 HG SER 46 -0.865 3.221 -12.786 382 H THR 47 H THR 47 0.563 -0.519 -8.760 383 HA THR 47 HA THR 47 3.304 0.310 -8.681 384 HB THR 47 HB THR 47 3.592 -2.004 -7.763 385 HG1 THR 47 HG1 THR 47 1.978 -3.382 -7.971 386 HG21 THR 47 HG21 THR 47 3.231 -0.801 -5.867 387 HG22 THR 47 HG22 THR 47 1.635 -1.536 -5.858 388 HG23 THR 47 HG23 THR 47 1.832 0.068 -6.543 389 HA PRO 48 HA PRO 48 4.570 -1.435 -12.564 390 HB2 PRO 48 HB2 PRO 48 7.237 -1.543 -12.183 391 HB3 PRO 48 HB3 PRO 48 6.359 0.012 -12.223 392 HG2 PRO 48 HG2 PRO 48 7.134 -1.629 -9.788 393 HG3 PRO 48 HG3 PRO 48 7.494 0.106 -10.088 394 HD2 PRO 48 HD2 PRO 48 5.399 -0.735 -8.608 395 HD3 PRO 48 HD3 PRO 48 5.216 0.659 -9.701 396 H VAL 49 H VAL 49 4.474 -3.181 -9.728 397 HA VAL 49 HA VAL 49 5.541 -5.718 -10.875 398 HB VAL 49 HB VAL 49 4.856 -4.831 -8.039 399 HG11 VAL 49 HG11 VAL 49 5.947 -7.524 -8.946 400 HG12 VAL 49 HG12 VAL 49 5.835 -6.967 -7.261 401 HG13 VAL 49 HG13 VAL 49 4.356 -7.218 -8.182 402 HG21 VAL 49 HG21 VAL 49 6.961 -3.884 -8.770 403 HG22 VAL 49 HG22 VAL 49 7.282 -5.217 -7.669 404 HG23 VAL 49 HG23 VAL 49 7.507 -5.454 -9.411 405 H ASN 50 H ASN 50 4.144 -7.518 -11.051 406 HA ASN 50 HA ASN 50 1.254 -6.904 -10.751 407 HB2 ASN 50 HB2 ASN 50 0.813 -7.836 -12.935 408 HB3 ASN 50 HB3 ASN 50 2.102 -6.648 -13.101 409 HD21 ASN 50 HD21 ASN 50 1.559 -10.164 -12.635 410 HD22 ASN 50 HD22 ASN 50 2.908 -10.672 -13.638 411 H VAL 51 H VAL 51 2.989 -8.606 -9.054 412 HA VAL 51 HA VAL 51 2.318 -11.297 -9.571 413 HB VAL 51 HB VAL 51 3.173 -9.841 -7.036 414 HG11 VAL 51 HG11 VAL 51 3.407 -12.798 -7.711 415 HG12 VAL 51 HG12 VAL 51 4.155 -11.990 -6.311 416 HG13 VAL 51 HG13 VAL 51 2.402 -12.074 -6.429 417 HG21 VAL 51 HG21 VAL 51 4.913 -11.245 -9.102 418 HG22 VAL 51 HG22 VAL 51 4.692 -9.488 -9.009 419 HG23 VAL 51 HG23 VAL 51 5.441 -10.352 -7.655 420 H GLN 52 H GLN 52 0.393 -12.234 -9.409 421 HA GLN 52 HA GLN 52 -1.640 -11.034 -7.646 422 HB2 GLN 52 HB2 GLN 52 -1.952 -13.026 -9.903 423 HB3 GLN 52 HB3 GLN 52 -3.268 -12.352 -8.923 424 HG2 GLN 52 HG2 GLN 52 -2.292 -10.018 -9.637 425 HG3 GLN 52 HG3 GLN 52 -1.429 -10.920 -10.870 426 HE21 GLN 52 HE21 GLN 52 -2.499 -9.885 -12.600 427 HE22 GLN 52 HE22 GLN 52 -4.232 -9.968 -12.854 428 H LYS 53 H LYS 53 0.647 -13.168 -7.125 429 HA LYS 53 HA LYS 53 -0.742 -15.384 -5.840 430 HB2 LYS 53 HB2 LYS 53 1.425 -15.489 -7.141 431 HB3 LYS 53 HB3 LYS 53 2.199 -14.598 -5.829 432 HG2 LYS 53 HG2 LYS 53 1.723 -16.438 -4.258 433 HG3 LYS 53 HG3 LYS 53 0.813 -17.295 -5.530 434 HD2 LYS 53 HD2 LYS 53 2.813 -17.428 -6.926 435 HD3 LYS 53 HD3 LYS 53 3.769 -16.554 -5.708 436 HE2 LYS 53 HE2 LYS 53 3.372 -18.417 -4.102 437 HE3 LYS 53 HE3 LYS 53 2.394 -19.252 -5.322 438 HZ1 LYS 53 HZ1 LYS 53 5.284 -18.642 -5.522 439 HZ2 LYS 53 HZ2 LYS 53 4.386 -19.292 -6.744 440 HZ3 LYS 53 HZ3 LYS 53 4.612 -20.110 -5.341 441 H MET 54 H MET 54 -1.870 -14.730 -4.014 442 HA MET 54 HA MET 54 -0.715 -12.789 -2.130 443 HB2 MET 54 HB2 MET 54 -2.854 -12.778 -1.094 444 HB3 MET 54 HB3 MET 54 -3.051 -12.556 -2.839 445 HG2 MET 54 HG2 MET 54 -3.411 -15.257 -2.678 446 HG3 MET 54 HG3 MET 54 -3.889 -14.776 -1.046 447 HE1 MET 54 HE1 MET 54 -5.974 -13.950 -5.016 448 HE2 MET 54 HE2 MET 54 -4.561 -12.938 -4.627 449 HE3 MET 54 HE3 MET 54 -4.394 -14.706 -4.759 450 H GLU 55 H GLU 55 0.537 -13.554 -0.364 451 HA GLU 55 HA GLU 55 0.191 -16.403 0.270 452 HB2 GLU 55 HB2 GLU 55 2.393 -14.506 0.378 453 HB3 GLU 55 HB3 GLU 55 2.205 -15.347 1.917 454 HG2 GLU 55 HG2 GLU 55 2.457 -16.710 -0.791 455 HG3 GLU 55 HG3 GLU 55 3.732 -16.561 0.430 456 H ASN 56 H ASN 56 -0.738 -13.371 1.730 457 HA ASN 56 HA ASN 56 -2.028 -14.921 3.903 458 HB2 ASN 56 HB2 ASN 56 -0.081 -14.118 5.054 459 HB3 ASN 56 HB3 ASN 56 -0.269 -12.496 4.367 460 HD21 ASN 56 HD21 ASN 56 -0.502 -11.408 6.406 461 HD22 ASN 56 HD22 ASN 56 -1.897 -11.666 7.422 462 HA PRO 57 HA PRO 57 -4.753 -11.887 1.554 463 HB2 PRO 57 HB2 PRO 57 -6.821 -13.558 1.067 464 HB3 PRO 57 HB3 PRO 57 -5.382 -13.461 0.027 465 HG2 PRO 57 HG2 PRO 57 -5.959 -15.484 2.206 466 HG3 PRO 57 HG3 PRO 57 -5.376 -15.792 0.541 467 HD2 PRO 57 HD2 PRO 57 -3.709 -15.632 2.707 468 HD3 PRO 57 HD3 PRO 57 -3.192 -15.086 1.071 469 H ARG 58 H ARG 58 -6.483 -10.792 2.574 470 HA ARG 58 HA ARG 58 -8.015 -12.172 4.641 471 HB2 ARG 58 HB2 ARG 58 -6.587 -9.510 5.032 472 HB3 ARG 58 HB3 ARG 58 -8.006 -9.961 5.972 473 HG2 ARG 58 HG2 ARG 58 -5.367 -11.483 5.945 474 HG3 ARG 58 HG3 ARG 58 -5.918 -10.346 7.175 475 HD2 ARG 58 HD2 ARG 58 -8.014 -11.910 7.358 476 HD3 ARG 58 HD3 ARG 58 -7.003 -13.098 6.538 477 HE ARG 58 HE ARG 58 -5.713 -11.763 8.792 478 HH11 ARG 58 HH11 ARG 58 -7.776 -14.559 7.887 479 HH12 ARG 58 HH12 ARG 58 -7.479 -15.421 9.329 480 HH21 ARG 58 HH21 ARG 58 -5.355 -12.963 10.757 481 HH22 ARG 58 HH22 ARG 58 -6.114 -14.486 11.035 482 H GLU 59 H GLU 59 -10.044 -10.832 5.011 483 HA GLU 59 HA GLU 59 -10.671 -8.976 2.746 484 HB2 GLU 59 HB2 GLU 59 -12.401 -11.068 4.111 485 HB3 GLU 59 HB3 GLU 59 -13.087 -9.766 3.116 486 HG2 GLU 59 HG2 GLU 59 -11.736 -10.457 1.184 487 HG3 GLU 59 HG3 GLU 59 -10.950 -11.724 2.139 488 H VAL 60 H VAL 60 -9.740 -8.812 5.831 489 HA VAL 60 HA VAL 60 -11.421 -6.482 6.402 490 HB VAL 60 HB VAL 60 -11.103 -8.736 8.427 491 HG11 VAL 60 HG11 VAL 60 -12.665 -7.379 9.787 492 HG12 VAL 60 HG12 VAL 60 -11.154 -6.514 9.467 493 HG13 VAL 60 HG13 VAL 60 -12.624 -6.102 8.558 494 HG21 VAL 60 HG21 VAL 60 -12.783 -9.470 6.799 495 HG22 VAL 60 HG22 VAL 60 -13.558 -9.037 8.311 496 HG23 VAL 60 HG23 VAL 60 -13.621 -7.915 6.934 497 H VAL 61 H VAL 61 -10.185 -4.932 7.453 498 HA VAL 61 HA VAL 61 -7.466 -5.600 8.394 499 HB VAL 61 HB VAL 61 -6.499 -3.874 6.917 500 HG11 VAL 61 HG11 VAL 61 -6.397 -5.166 4.932 501 HG12 VAL 61 HG12 VAL 61 -6.607 -6.332 6.270 502 HG13 VAL 61 HG13 VAL 61 -7.986 -5.882 5.228 503 HG21 VAL 61 HG21 VAL 61 -8.348 -2.414 6.553 504 HG22 VAL 61 HG22 VAL 61 -7.831 -3.042 4.979 505 HG23 VAL 61 HG23 VAL 61 -9.292 -3.678 5.732 506 H GLU 62 H GLU 62 -6.443 -3.360 8.955 507 HA GLU 62 HA GLU 62 -8.190 -2.101 10.961 508 HB2 GLU 62 HB2 GLU 62 -5.163 -2.081 10.541 509 HB3 GLU 62 HB3 GLU 62 -6.032 -1.457 11.931 510 HG2 GLU 62 HG2 GLU 62 -6.928 -3.733 12.386 511 HG3 GLU 62 HG3 GLU 62 -5.940 -4.354 11.104 512 H ILE 63 H ILE 63 -6.787 0.223 11.403 513 HA ILE 63 HA ILE 63 -7.222 1.920 8.991 514 HB ILE 63 HB ILE 63 -7.094 2.922 11.842 515 HG12 ILE 63 HG12 ILE 63 -9.679 2.224 10.430 516 HG13 ILE 63 HG13 ILE 63 -8.979 1.274 11.764 517 HG21 ILE 63 HG21 ILE 63 -6.855 4.513 9.890 518 HG22 ILE 63 HG22 ILE 63 -8.492 4.050 9.369 519 HG23 ILE 63 HG23 ILE 63 -8.229 4.884 10.901 520 HD11 ILE 63 HD11 ILE 63 -10.594 2.657 12.775 521 HD12 ILE 63 HD12 ILE 63 -9.021 3.413 13.127 522 HD13 ILE 63 HD13 ILE 63 -10.072 4.082 11.863 523 H GLY 64 H GLY 64 -5.034 0.346 9.154 524 HA2 GLY 64 HA2 GLY 64 -2.996 2.175 8.624 525 HA3 GLY 64 HA3 GLY 64 -2.754 1.712 10.307 526 H ASP 65 H ASP 65 -3.873 -0.269 7.505 527 HA ASP 65 HA ASP 65 -1.530 -2.055 7.842 528 HB2 ASP 65 HB2 ASP 65 -4.319 -2.702 6.842 529 HB3 ASP 65 HB3 ASP 65 -2.927 -3.809 6.793 530 H VAL 66 H VAL 66 -1.306 -3.243 5.552 531 HA VAL 66 HA VAL 66 -2.050 -1.453 3.314 532 HB VAL 66 HB VAL 66 0.680 -2.673 3.822 533 HG11 VAL 66 HG11 VAL 66 -0.052 -0.957 1.454 534 HG12 VAL 66 HG12 VAL 66 1.500 -1.727 1.813 535 HG13 VAL 66 HG13 VAL 66 0.105 -2.718 1.373 536 HG21 VAL 66 HG21 VAL 66 1.314 -0.173 3.710 537 HG22 VAL 66 HG22 VAL 66 -0.442 0.103 3.822 538 HG23 VAL 66 HG23 VAL 66 0.417 -0.733 5.132 539 H GLY 67 H GLY 67 -2.732 -2.515 1.623 540 HA2 GLY 67 HA2 GLY 67 -2.427 -5.486 1.574 541 HA3 GLY 67 HA3 GLY 67 -3.945 -4.708 1.107 542 H TYR 68 H TYR 68 -1.999 -6.405 -0.404 543 HA TYR 68 HA TYR 68 -1.206 -4.501 -2.545 544 HB2 TYR 68 HB2 TYR 68 0.122 -6.644 -1.786 545 HB3 TYR 68 HB3 TYR 68 -1.108 -7.547 -2.666 546 HD1 TYR 68 HD1 TYR 68 0.842 -4.390 -3.140 547 HD2 TYR 68 HD2 TYR 68 -0.328 -8.165 -4.876 548 HE1 TYR 68 HE1 TYR 68 1.933 -3.748 -5.253 549 HE2 TYR 68 HE2 TYR 68 0.940 -7.606 -6.927 550 HH TYR 68 HH TYR 68 1.678 -5.459 -8.134 551 H TRP 69 H TRP 69 -2.416 -4.269 -4.446 552 HA TRP 69 HA TRP 69 -5.033 -5.655 -4.411 553 HB2 TRP 69 HB2 TRP 69 -4.765 -3.053 -4.364 554 HB3 TRP 69 HB3 TRP 69 -4.466 -3.226 -6.086 555 HD1 TRP 69 HD1 TRP 69 -7.017 -4.788 -3.667 556 HE1 TRP 69 HE1 TRP 69 -9.394 -4.474 -4.516 557 HE3 TRP 69 HE3 TRP 69 -6.001 -2.197 -7.965 558 HZ2 TRP 69 HZ2 TRP 69 -10.709 -3.246 -6.715 559 HZ3 TRP 69 HZ3 TRP 69 -7.884 -1.469 -9.408 560 HH2 TRP 69 HH2 TRP 69 -10.248 -1.961 -8.728 561 HA PRO 70 HA PRO 70 -2.515 -7.638 -7.697 562 HB2 PRO 70 HB2 PRO 70 -3.672 -10.101 -7.732 563 HB3 PRO 70 HB3 PRO 70 -2.498 -9.521 -6.498 564 HG2 PRO 70 HG2 PRO 70 -5.404 -9.837 -6.196 565 HG3 PRO 70 HG3 PRO 70 -4.124 -10.226 -5.047 566 HD2 PRO 70 HD2 PRO 70 -5.530 -7.824 -4.981 567 HD3 PRO 70 HD3 PRO 70 -3.954 -8.060 -4.339 568 HA PRO 71 HA PRO 71 -6.375 -8.571 -10.298 569 HB2 PRO 71 HB2 PRO 71 -8.830 -7.472 -9.749 570 HB3 PRO 71 HB3 PRO 71 -8.256 -8.987 -8.995 571 HG2 PRO 71 HG2 PRO 71 -8.293 -6.216 -7.798 572 HG3 PRO 71 HG3 PRO 71 -8.524 -7.802 -6.950 573 HD2 PRO 71 HD2 PRO 71 -6.289 -6.480 -6.803 574 HD3 PRO 71 HD3 PRO 71 -6.460 -8.266 -6.730 575 H GLY 72 H GLY 72 -5.867 -5.377 -8.976 576 HA2 GLY 72 HA2 GLY 72 -6.075 -4.224 -11.685 577 HA3 GLY 72 HA3 GLY 72 -6.512 -3.337 -10.234 578 H LYS 73 H LYS 73 -3.672 -5.466 -10.140 579 HA LYS 73 HA LYS 73 -1.436 -4.927 -9.797 580 HB2 LYS 73 HB2 LYS 73 -2.305 -3.716 -12.379 581 HB3 LYS 73 HB3 LYS 73 -0.658 -3.442 -11.854 582 HG2 LYS 73 HG2 LYS 73 0.027 -5.574 -12.083 583 HG3 LYS 73 HG3 LYS 73 -1.532 -6.298 -11.732 584 HD2 LYS 73 HD2 LYS 73 -1.545 -4.710 -14.233 585 HD3 LYS 73 HD3 LYS 73 -0.357 -6.010 -14.275 586 HE2 LYS 73 HE2 LYS 73 -1.934 -7.691 -14.030 587 HE3 LYS 73 HE3 LYS 73 -3.100 -6.632 -13.192 588 HZ1 LYS 73 HZ1 LYS 73 -3.820 -7.164 -15.424 589 HZ2 LYS 73 HZ2 LYS 73 -2.499 -6.455 -16.074 590 HZ3 LYS 73 HZ3 LYS 73 -3.611 -5.564 -15.250 591 H ALA 74 H ALA 74 -2.650 -3.499 -7.832 592 HA ALA 74 HA ALA 74 -1.207 -0.955 -7.901 593 HB1 ALA 74 HB1 ALA 74 -3.586 -0.458 -8.522 594 HB2 ALA 74 HB2 ALA 74 -4.101 -1.160 -6.968 595 HB3 ALA 74 HB3 ALA 74 -3.095 0.290 -6.997 596 H LEU 75 H LEU 75 -1.371 0.039 -5.657 597 HA LEU 75 HA LEU 75 -0.925 -2.001 -3.546 598 HB2 LEU 75 HB2 LEU 75 0.638 0.212 -4.122 599 HB3 LEU 75 HB3 LEU 75 -0.496 0.919 -2.971 600 HG LEU 75 HG LEU 75 -0.054 -1.349 -1.642 601 HD11 LEU 75 HD11 LEU 75 1.310 -2.135 -3.706 602 HD12 LEU 75 HD12 LEU 75 1.962 -2.482 -2.134 603 HD13 LEU 75 HD13 LEU 75 2.620 -1.124 -3.077 604 HD21 LEU 75 HD21 LEU 75 1.428 -0.328 -0.207 605 HD22 LEU 75 HD22 LEU 75 0.611 1.032 -0.969 606 HD23 LEU 75 HD23 LEU 75 2.254 0.556 -1.492 607 H CYS 76 H CYS 76 -1.685 -0.663 -1.201 608 HA CYS 76 HA CYS 76 -4.084 0.872 -1.406 609 HB2 CYS 76 HB2 CYS 76 -4.753 -1.668 -1.852 610 HB3 CYS 76 HB3 CYS 76 -4.264 -1.923 -0.154 611 HG CYS 76 HG CYS 76 -6.493 0.044 -1.530 612 H LEU 77 H LEU 77 -4.496 1.918 0.400 613 HA LEU 77 HA LEU 77 -2.909 1.432 2.860 614 HB2 LEU 77 HB2 LEU 77 -3.357 4.073 1.403 615 HB3 LEU 77 HB3 LEU 77 -2.584 3.892 2.908 616 HG LEU 77 HG LEU 77 -1.521 2.934 0.253 617 HD11 LEU 77 HD11 LEU 77 -1.500 5.493 1.001 618 HD12 LEU 77 HD12 LEU 77 -0.089 4.774 0.248 619 HD13 LEU 77 HD13 LEU 77 -0.162 5.003 2.013 620 HD21 LEU 77 HD21 LEU 77 -0.824 1.444 2.135 621 HD22 LEU 77 HD22 LEU 77 -0.122 2.842 2.962 622 HD23 LEU 77 HD23 LEU 77 0.523 2.282 1.405 623 H PHE 78 H PHE 78 -4.322 1.448 4.574 624 HA PHE 78 HA PHE 78 -7.073 2.507 4.107 625 HB2 PHE 78 HB2 PHE 78 -6.169 0.505 6.219 626 HB3 PHE 78 HB3 PHE 78 -7.804 0.908 5.736 627 HD1 PHE 78 HD1 PHE 78 -8.423 0.487 3.202 628 HD2 PHE 78 HD2 PHE 78 -5.047 -1.315 5.187 629 HE1 PHE 78 HE1 PHE 78 -8.423 -1.337 1.554 630 HE2 PHE 78 HE2 PHE 78 -4.982 -3.100 3.467 631 HZ PHE 78 HZ PHE 78 -6.705 -3.099 1.630 632 H PHE 79 H PHE 79 -7.533 4.401 5.123 633 HA PHE 79 HA PHE 79 -6.403 4.865 7.811 634 HB2 PHE 79 HB2 PHE 79 -5.698 7.125 7.235 635 HB3 PHE 79 HB3 PHE 79 -4.827 5.865 6.425 636 HD1 PHE 79 HD1 PHE 79 -5.012 5.452 4.063 637 HD2 PHE 79 HD2 PHE 79 -7.275 8.665 5.894 638 HE1 PHE 79 HE1 PHE 79 -5.374 6.462 1.846 639 HE2 PHE 79 HE2 PHE 79 -7.628 9.653 3.634 640 HZ PHE 79 HZ PHE 79 -6.640 8.615 1.629 641 H GLY 80 H GLY 80 -9.287 4.468 6.439 642 HA2 GLY 80 HA2 GLY 80 -10.554 5.420 8.675 643 HA3 GLY 80 HA3 GLY 80 -10.659 6.792 7.587 644 H LYS 81 H LYS 81 -10.872 3.318 6.973 645 HA LYS 81 HA LYS 81 -12.413 1.923 6.106 646 HB2 LYS 81 HB2 LYS 81 -13.783 2.815 8.029 647 HB3 LYS 81 HB3 LYS 81 -14.561 3.920 6.912 648 HG2 LYS 81 HG2 LYS 81 -15.598 2.082 5.712 649 HG3 LYS 81 HG3 LYS 81 -14.650 0.883 6.629 650 HD2 LYS 81 HD2 LYS 81 -15.742 1.472 8.700 651 HD3 LYS 81 HD3 LYS 81 -16.500 2.876 7.944 652 HE2 LYS 81 HE2 LYS 81 -17.321 0.636 6.393 653 HE3 LYS 81 HE3 LYS 81 -17.463 0.123 8.089 654 HZ1 LYS 81 HZ1 LYS 81 -19.465 1.190 7.403 655 HZ2 LYS 81 HZ2 LYS 81 -18.634 2.558 6.913 656 HZ3 LYS 81 HZ3 LYS 81 -18.734 2.162 8.492 657 H THR 82 H THR 82 -14.324 1.976 4.216 658 HA THR 82 HA THR 82 -13.627 4.067 2.223 659 HB THR 82 HB THR 82 -13.008 2.208 0.585 660 HG1 THR 82 HG1 THR 82 -12.559 0.198 1.416 661 HG21 THR 82 HG21 THR 82 -10.770 1.925 1.233 662 HG22 THR 82 HG22 THR 82 -11.096 2.161 2.937 663 HG23 THR 82 HG23 THR 82 -11.201 3.525 1.812 664 HA PRO 83 HA PRO 83 -17.782 3.252 0.895 665 HB2 PRO 83 HB2 PRO 83 -17.827 3.944 -1.716 666 HB3 PRO 83 HB3 PRO 83 -17.390 5.107 -0.422 667 HG2 PRO 83 HG2 PRO 83 -15.507 3.474 -2.113 668 HG3 PRO 83 HG3 PRO 83 -15.509 5.256 -1.892 669 HD2 PRO 83 HD2 PRO 83 -13.911 3.704 -0.399 670 HD3 PRO 83 HD3 PRO 83 -14.795 5.053 0.364 671 H MET 84 H MET 84 -17.087 0.948 1.471 672 HA MET 84 HA MET 84 -17.905 -0.905 -0.707 673 HB2 MET 84 HB2 MET 84 -15.264 -0.515 -0.245 674 HB3 MET 84 HB3 MET 84 -15.540 -1.674 1.030 675 HG2 MET 84 HG2 MET 84 -16.148 -2.087 -1.916 676 HG3 MET 84 HG3 MET 84 -14.706 -2.636 -1.062 677 HE1 MET 84 HE1 MET 84 -14.817 -5.165 -1.786 678 HE2 MET 84 HE2 MET 84 -16.413 -5.869 -2.145 679 HE3 MET 84 HE3 MET 84 -15.944 -4.334 -2.888 680 H SER 85 H SER 85 -16.960 -0.404 2.710 681 HA SER 85 HA SER 85 -18.251 -2.851 3.534 682 HB2 SER 85 HB2 SER 85 -16.573 -1.251 5.374 683 HB3 SER 85 HB3 SER 85 -16.497 -2.973 4.940 684 HG SER 85 HG SER 85 -14.835 -1.095 4.099 685 H ASP 86 H ASP 86 -19.549 -2.821 5.618 686 HA ASP 86 HA ASP 86 -20.419 -0.105 6.380 687 HB2 ASP 86 HB2 ASP 86 -22.095 -2.185 5.266 688 HB3 ASP 86 HB3 ASP 86 -22.520 -1.957 6.962 689 H ASP 87 H ASP 87 -20.450 -3.579 7.374 690 HA ASP 87 HA ASP 87 -20.751 -2.870 10.022 691 HB2 ASP 87 HB2 ASP 87 -19.400 -5.490 9.233 692 HB3 ASP 87 HB3 ASP 87 -20.339 -5.196 10.660 693 H LYS 88 H LYS 88 -17.810 -3.766 8.278 694 HA LYS 88 HA LYS 88 -16.048 -2.861 10.450 695 HB2 LYS 88 HB2 LYS 88 -14.693 -4.904 10.282 696 HB3 LYS 88 HB3 LYS 88 -16.333 -5.256 10.806 697 HG2 LYS 88 HG2 LYS 88 -16.770 -5.784 8.241 698 HG3 LYS 88 HG3 LYS 88 -15.011 -5.815 8.133 699 HD2 LYS 88 HD2 LYS 88 -15.667 -8.081 8.485 700 HD3 LYS 88 HD3 LYS 88 -15.044 -7.523 10.027 701 HE2 LYS 88 HE2 LYS 88 -16.975 -8.510 10.787 702 HE3 LYS 88 HE3 LYS 88 -17.654 -6.916 10.443 703 HZ1 LYS 88 HZ1 LYS 88 -18.336 -7.807 8.254 704 HZ2 LYS 88 HZ2 LYS 88 -19.036 -8.517 9.540 705 HZ3 LYS 88 HZ3 LYS 88 -17.849 -9.326 8.757 706 H ILE 89 H ILE 89 -13.712 -2.751 9.501 707 HA ILE 89 HA ILE 89 -13.858 -1.255 6.994 708 HB ILE 89 HB ILE 89 -11.659 -1.939 8.975 709 HG12 ILE 89 HG12 ILE 89 -12.607 0.830 8.211 710 HG13 ILE 89 HG13 ILE 89 -13.600 -0.093 9.311 711 HG21 ILE 89 HG21 ILE 89 -10.123 -0.515 7.774 712 HG22 ILE 89 HG22 ILE 89 -10.676 -1.751 6.662 713 HG23 ILE 89 HG23 ILE 89 -11.360 -0.117 6.567 714 HD11 ILE 89 HD11 ILE 89 -11.939 1.454 10.402 715 HD12 ILE 89 HD12 ILE 89 -11.804 -0.235 10.935 716 HD13 ILE 89 HD13 ILE 89 -10.638 0.415 9.770 717 H GLN 90 H GLN 90 -13.829 -2.257 5.065 718 HA GLN 90 HA GLN 90 -12.226 -4.684 4.796 719 HB2 GLN 90 HB2 GLN 90 -14.979 -4.286 3.566 720 HB3 GLN 90 HB3 GLN 90 -13.851 -5.576 3.181 721 HG2 GLN 90 HG2 GLN 90 -13.821 -6.015 5.773 722 HG3 GLN 90 HG3 GLN 90 -15.288 -5.036 5.783 723 HE21 GLN 90 HE21 GLN 90 -16.135 -7.114 6.653 724 HE22 GLN 90 HE22 GLN 90 -16.693 -8.360 5.545 725 HA PRO 91 HA PRO 91 -10.603 -2.484 1.231 726 HB2 PRO 91 HB2 PRO 91 -9.429 -4.604 -0.040 727 HB3 PRO 91 HB3 PRO 91 -8.741 -3.850 1.446 728 HG2 PRO 91 HG2 PRO 91 -10.475 -6.314 1.270 729 HG3 PRO 91 HG3 PRO 91 -8.997 -6.094 2.243 730 HD2 PRO 91 HD2 PRO 91 -11.424 -5.918 3.251 731 HD3 PRO 91 HD3 PRO 91 -10.090 -4.878 3.835 732 H ALA 92 H ALA 92 -10.534 -2.766 -1.125 733 HA ALA 92 HA ALA 92 -13.034 -3.262 -2.296 734 HB1 ALA 92 HB1 ALA 92 -10.241 -2.841 -3.434 735 HB2 ALA 92 HB2 ALA 92 -11.665 -2.986 -4.479 736 HB3 ALA 92 HB3 ALA 92 -11.553 -1.670 -3.293 737 H SER 93 H SER 93 -10.420 -5.517 -1.697 738 HA SER 93 HA SER 93 -11.735 -7.689 -3.173 739 HB2 SER 93 HB2 SER 93 -10.376 -6.582 -4.886 740 HB3 SER 93 HB3 SER 93 -8.982 -6.515 -3.795 741 HG SER 93 HG SER 93 -10.033 -8.601 -5.307 742 H ALA 94 H ALA 94 -10.256 -9.651 -2.820 743 HA ALA 94 HA ALA 94 -9.581 -9.869 0.049 744 HB1 ALA 94 HB1 ALA 94 -10.434 -11.902 -1.023 745 HB2 ALA 94 HB2 ALA 94 -9.118 -11.851 -2.226 746 HB3 ALA 94 HB3 ALA 94 -8.763 -12.137 -0.513 747 H VAL 95 H VAL 95 -8.074 -8.147 0.182 748 HA VAL 95 HA VAL 95 -5.530 -8.431 -1.308 749 HB VAL 95 HB VAL 95 -4.860 -6.324 -0.381 750 HG11 VAL 95 HG11 VAL 95 -6.387 -6.331 -2.353 751 HG12 VAL 95 HG12 VAL 95 -7.752 -5.996 -1.258 752 HG13 VAL 95 HG13 VAL 95 -6.433 -4.823 -1.379 753 HG21 VAL 95 HG21 VAL 95 -6.583 -5.014 0.991 754 HG22 VAL 95 HG22 VAL 95 -7.304 -6.597 1.304 755 HG23 VAL 95 HG23 VAL 95 -5.656 -6.264 1.834 756 H ASN 96 H ASN 96 -3.611 -8.752 -0.222 757 HA ASN 96 HA ASN 96 -3.794 -10.277 2.243 758 HB2 ASN 96 HB2 ASN 96 -1.309 -10.437 1.922 759 HB3 ASN 96 HB3 ASN 96 -2.293 -11.116 0.626 760 HD21 ASN 96 HD21 ASN 96 -0.434 -10.957 -0.825 761 HD22 ASN 96 HD22 ASN 96 -0.048 -9.409 -1.522 762 H VAL 97 H VAL 97 -2.071 -9.813 3.972 763 HA VAL 97 HA VAL 97 -2.134 -6.899 4.500 764 HB VAL 97 HB VAL 97 -2.034 -9.029 6.659 765 HG11 VAL 97 HG11 VAL 97 -2.680 -7.192 8.165 766 HG12 VAL 97 HG12 VAL 97 -1.311 -6.637 7.239 767 HG13 VAL 97 HG13 VAL 97 -2.914 -6.095 6.754 768 HG21 VAL 97 HG21 VAL 97 -4.152 -9.369 5.550 769 HG22 VAL 97 HG22 VAL 97 -4.434 -8.514 7.078 770 HG23 VAL 97 HG23 VAL 97 -4.474 -7.617 5.544 771 H ILE 98 H ILE 98 -0.211 -7.750 2.847 772 HA ILE 98 HA ILE 98 2.065 -8.911 4.195 773 HB ILE 98 HB ILE 98 3.337 -8.392 2.187 774 HG12 ILE 98 HG12 ILE 98 0.823 -7.059 1.094 775 HG13 ILE 98 HG13 ILE 98 2.350 -6.272 1.471 776 HG21 ILE 98 HG21 ILE 98 2.176 -10.021 0.799 777 HG22 ILE 98 HG22 ILE 98 1.954 -10.448 2.495 778 HG23 ILE 98 HG23 ILE 98 0.661 -9.656 1.658 779 HD11 ILE 98 HD11 ILE 98 1.867 -8.318 -0.702 780 HD12 ILE 98 HD12 ILE 98 2.371 -6.635 -0.888 781 HD13 ILE 98 HD13 ILE 98 3.492 -7.802 -0.177 782 H GLY 99 H GLY 99 1.048 -5.552 3.661 783 HA2 GLY 99 HA2 GLY 99 3.611 -4.618 4.868 784 HA3 GLY 99 HA3 GLY 99 2.570 -3.660 3.832 785 H LYS 100 H LYS 100 3.265 -2.684 6.320 786 HA LYS 100 HA LYS 100 0.552 -2.378 7.494 787 HB2 LYS 100 HB2 LYS 100 1.886 -3.932 8.945 788 HB3 LYS 100 HB3 LYS 100 3.157 -2.738 9.049 789 HG2 LYS 100 HG2 LYS 100 2.157 -2.168 10.967 790 HG3 LYS 100 HG3 LYS 100 1.128 -1.174 9.937 791 HD2 LYS 100 HD2 LYS 100 -0.384 -3.256 9.769 792 HD3 LYS 100 HD3 LYS 100 0.637 -3.932 11.063 793 HE2 LYS 100 HE2 LYS 100 0.075 -1.974 12.518 794 HE3 LYS 100 HE3 LYS 100 -0.881 -1.298 11.208 795 HZ1 LYS 100 HZ1 LYS 100 -2.293 -2.339 12.772 796 HZ2 LYS 100 HZ2 LYS 100 -1.542 -3.756 12.664 797 HZ3 LYS 100 HZ3 LYS 100 -2.380 -3.170 11.346 798 H ILE 101 H ILE 101 0.117 -0.113 7.770 799 HA ILE 101 HA ILE 101 2.210 1.836 7.026 800 HB ILE 101 HB ILE 101 -0.641 2.260 8.042 801 HG12 ILE 101 HG12 ILE 101 0.382 2.815 5.234 802 HG13 ILE 101 HG13 ILE 101 -0.398 1.296 5.694 803 HG21 ILE 101 HG21 ILE 101 1.485 4.208 7.012 804 HG22 ILE 101 HG22 ILE 101 -0.202 4.662 7.335 805 HG23 ILE 101 HG23 ILE 101 0.822 4.139 8.654 806 HD11 ILE 101 HD11 ILE 101 -2.419 2.432 6.379 807 HD12 ILE 101 HD12 ILE 101 -1.723 4.001 5.930 808 HD13 ILE 101 HD13 ILE 101 -2.025 2.778 4.685 809 H VAL 102 H VAL 102 3.700 1.445 8.607 810 HA VAL 102 HA VAL 102 2.861 1.166 11.427 811 HB VAL 102 HB VAL 102 5.185 1.051 12.037 812 HG11 VAL 102 HG11 VAL 102 4.123 -0.992 11.164 813 HG12 VAL 102 HG12 VAL 102 4.682 -0.604 9.520 814 HG13 VAL 102 HG13 VAL 102 5.847 -0.958 10.808 815 HG21 VAL 102 HG21 VAL 102 6.971 1.041 10.305 816 HG22 VAL 102 HG22 VAL 102 5.785 1.753 9.148 817 HG23 VAL 102 HG23 VAL 102 6.282 2.632 10.612 818 H GLU 103 H GLU 103 3.719 3.775 9.229 819 HA GLU 103 HA GLU 103 3.498 5.787 11.390 820 HB2 GLU 103 HB2 GLU 103 5.916 4.708 10.087 821 HB3 GLU 103 HB3 GLU 103 5.763 6.405 9.751 822 HG2 GLU 103 HG2 GLU 103 5.223 5.697 12.605 823 HG3 GLU 103 HG3 GLU 103 6.847 5.282 12.035 824 H GLY 104 H GLY 104 3.304 7.934 10.644 825 HA2 GLY 104 HA2 GLY 104 2.890 9.671 9.198 826 HA3 GLY 104 HA3 GLY 104 3.128 8.598 7.825 827 H LEU 105 H LEU 105 0.723 7.759 10.308 828 HA LEU 105 HA LEU 105 -1.219 7.380 8.250 829 HB2 LEU 105 HB2 LEU 105 -0.985 6.128 10.518 830 HB3 LEU 105 HB3 LEU 105 -1.748 7.541 11.240 831 HG LEU 105 HG LEU 105 -3.633 7.160 9.427 832 HD11 LEU 105 HD11 LEU 105 -3.888 4.819 8.715 833 HD12 LEU 105 HD12 LEU 105 -2.356 4.398 9.507 834 HD13 LEU 105 HD13 LEU 105 -2.369 5.476 8.098 835 HD21 LEU 105 HD21 LEU 105 -3.327 5.214 11.728 836 HD22 LEU 105 HD22 LEU 105 -4.833 5.691 10.924 837 HD23 LEU 105 HD23 LEU 105 -3.915 6.885 11.859 838 H GLU 106 H GLU 106 -0.732 9.949 10.696 839 HA GLU 106 HA GLU 106 -3.210 11.322 10.061 840 HB2 GLU 106 HB2 GLU 106 -0.780 12.429 11.528 841 HB3 GLU 106 HB3 GLU 106 -2.422 13.092 11.477 842 HG2 GLU 106 HG2 GLU 106 -3.151 10.770 12.399 843 HG3 GLU 106 HG3 GLU 106 -1.445 10.583 12.807 844 H ASP 107 H ASP 107 -0.510 11.017 8.279 845 HA ASP 107 HA ASP 107 -0.706 13.755 7.077 846 HB2 ASP 107 HB2 ASP 107 1.567 11.994 7.643 847 HB3 ASP 107 HB3 ASP 107 1.568 12.593 5.990 848 H LEU 108 H LEU 108 -2.159 10.940 6.501 849 HA LEU 108 HA LEU 108 -1.639 10.696 3.628 850 HB2 LEU 108 HB2 LEU 108 -3.608 9.233 5.468 851 HB3 LEU 108 HB3 LEU 108 -3.322 8.852 3.772 852 HG LEU 108 HG LEU 108 -1.380 8.572 6.083 853 HD11 LEU 108 HD11 LEU 108 -1.270 6.234 5.326 854 HD12 LEU 108 HD12 LEU 108 -2.463 6.583 4.053 855 HD13 LEU 108 HD13 LEU 108 -2.909 6.720 5.769 856 HD21 LEU 108 HD21 LEU 108 -0.810 8.589 3.097 857 HD22 LEU 108 HD22 LEU 108 0.194 7.712 4.253 858 HD23 LEU 108 HD23 LEU 108 0.015 9.474 4.412 859 H LYS 109 H LYS 109 -4.395 11.806 5.591 860 HA LYS 109 HA LYS 109 -6.161 12.243 3.364 861 HB2 LYS 109 HB2 LYS 109 -5.866 13.513 6.125 862 HB3 LYS 109 HB3 LYS 109 -7.215 13.896 5.026 863 HG2 LYS 109 HG2 LYS 109 -7.758 11.491 4.860 864 HG3 LYS 109 HG3 LYS 109 -6.555 11.112 6.078 865 HD2 LYS 109 HD2 LYS 109 -8.182 13.121 7.249 866 HD3 LYS 109 HD3 LYS 109 -9.293 12.046 6.356 867 HE2 LYS 109 HE2 LYS 109 -8.652 10.119 7.566 868 HE3 LYS 109 HE3 LYS 109 -7.226 10.919 8.238 869 HZ1 LYS 109 HZ1 LYS 109 -9.928 11.810 8.929 870 HZ2 LYS 109 HZ2 LYS 109 -8.461 12.174 9.645 871 HZ3 LYS 109 HZ3 LYS 109 -9.059 10.675 9.785 872 H LYS 110 H LYS 110 -3.383 13.828 4.440 873 HA LYS 110 HA LYS 110 -3.866 16.468 3.313 874 HB2 LYS 110 HB2 LYS 110 -1.123 15.410 3.888 875 HB3 LYS 110 HB3 LYS 110 -1.743 17.057 4.001 876 HG2 LYS 110 HG2 LYS 110 -3.288 16.121 5.915 877 HG3 LYS 110 HG3 LYS 110 -2.211 14.711 5.872 878 HD2 LYS 110 HD2 LYS 110 -1.392 16.103 7.616 879 HD3 LYS 110 HD3 LYS 110 -0.294 16.351 6.275 880 HE2 LYS 110 HE2 LYS 110 -2.024 18.344 5.719 881 HE3 LYS 110 HE3 LYS 110 -2.316 18.199 7.466 882 HZ1 LYS 110 HZ1 LYS 110 -0.599 19.750 7.224 883 HZ2 LYS 110 HZ2 LYS 110 0.236 18.830 6.123 884 HZ3 LYS 110 HZ3 LYS 110 0.162 18.364 7.680 885 H ILE 111 H ILE 111 -3.246 13.427 1.773 886 HA ILE 111 HA ILE 111 -1.863 14.645 -0.536 887 HB ILE 111 HB ILE 111 -2.515 11.736 -0.124 888 HG12 ILE 111 HG12 ILE 111 -1.307 12.254 1.908 889 HG13 ILE 111 HG13 ILE 111 -0.264 11.391 0.821 890 HG21 ILE 111 HG21 ILE 111 -0.435 13.267 -1.742 891 HG22 ILE 111 HG22 ILE 111 -0.383 11.509 -1.481 892 HG23 ILE 111 HG23 ILE 111 -1.740 12.214 -2.339 893 HD11 ILE 111 HD11 ILE 111 -0.209 14.373 1.451 894 HD12 ILE 111 HD12 ILE 111 0.984 13.156 1.904 895 HD13 ILE 111 HD13 ILE 111 0.782 13.625 0.201 896 H LYS 112 H LYS 112 -2.634 14.179 -2.675 897 HA LYS 112 HA LYS 112 -5.566 14.558 -2.896 898 HB2 LYS 112 HB2 LYS 112 -3.515 15.072 -5.041 899 HB3 LYS 112 HB3 LYS 112 -5.211 15.484 -5.081 900 HG2 LYS 112 HG2 LYS 112 -3.385 16.687 -3.001 901 HG3 LYS 112 HG3 LYS 112 -3.494 17.319 -4.643 902 HD2 LYS 112 HD2 LYS 112 -5.699 18.034 -4.425 903 HD3 LYS 112 HD3 LYS 112 -6.036 16.899 -3.125 904 HE2 LYS 112 HE2 LYS 112 -5.893 19.079 -2.130 905 HE3 LYS 112 HE3 LYS 112 -4.505 18.102 -1.633 906 HZ1 LYS 112 HZ1 LYS 112 -3.837 20.360 -2.257 907 HZ2 LYS 112 HZ2 LYS 112 -4.499 20.189 -3.744 908 HZ3 LYS 112 HZ3 LYS 112 -3.189 19.315 -3.370 909 H ASP 113 H ASP 113 -6.289 13.597 -4.990 910 HA ASP 113 HA ASP 113 -5.626 10.834 -5.509 911 HB2 ASP 113 HB2 ASP 113 -7.916 12.049 -5.664 912 HB3 ASP 113 HB3 ASP 113 -7.270 12.967 -7.010 913 H GLY 114 H GLY 114 -3.368 12.739 -6.025 914 HA2 GLY 114 HA2 GLY 114 -2.255 11.638 -8.259 915 HA3 GLY 114 HA3 GLY 114 -3.106 13.027 -8.942 916 H GLU 115 H GLU 115 -0.952 12.267 -6.175 917 HA GLU 115 HA GLU 115 0.640 14.742 -6.715 918 HB2 GLU 115 HB2 GLU 115 -0.207 13.405 -4.111 919 HB3 GLU 115 HB3 GLU 115 1.039 14.648 -4.195 920 HG2 GLU 115 HG2 GLU 115 -1.398 15.525 -5.522 921 HG3 GLU 115 HG3 GLU 115 -1.655 15.026 -3.849 922 H LYS 116 H LYS 116 1.199 12.394 -7.944 923 HA LYS 116 HA LYS 116 2.800 10.652 -8.206 924 HB2 LYS 116 HB2 LYS 116 3.749 13.454 -8.255 925 HB3 LYS 116 HB3 LYS 116 5.030 12.231 -8.246 926 HG2 LYS 116 HG2 LYS 116 4.311 11.181 -10.229 927 HG3 LYS 116 HG3 LYS 116 2.701 11.851 -10.091 928 HD2 LYS 116 HD2 LYS 116 3.684 14.143 -10.566 929 HD3 LYS 116 HD3 LYS 116 5.205 13.313 -10.991 930 HE2 LYS 116 HE2 LYS 116 4.013 12.004 -12.719 931 HE3 LYS 116 HE3 LYS 116 2.459 12.625 -12.154 932 HZ1 LYS 116 HZ1 LYS 116 2.796 13.946 -13.898 933 HZ2 LYS 116 HZ2 LYS 116 4.423 13.852 -13.842 934 HZ3 LYS 116 HZ3 LYS 116 3.625 14.899 -12.840 935 H VAL 117 H VAL 117 2.863 9.101 -6.540 936 HA VAL 117 HA VAL 117 3.985 9.942 -4.059 937 HB VAL 117 HB VAL 117 4.067 7.649 -3.356 938 HG11 VAL 117 HG11 VAL 117 2.162 8.231 -3.253 939 HG12 VAL 117 HG12 VAL 117 1.520 7.377 -4.469 940 HG13 VAL 117 HG13 VAL 117 2.599 6.573 -3.003 941 HG21 VAL 117 HG21 VAL 117 3.774 5.652 -4.929 942 HG22 VAL 117 HG22 VAL 117 3.125 6.733 -6.211 943 HG23 VAL 117 HG23 VAL 117 4.870 6.607 -5.869 944 H ALA 118 H ALA 118 6.067 8.549 -3.399 945 HA ALA 118 HA ALA 118 7.832 7.837 -5.600 946 HB1 ALA 118 HB1 ALA 118 7.996 10.366 -4.267 947 HB2 ALA 118 HB2 ALA 118 9.285 9.383 -3.547 948 HB3 ALA 118 HB3 ALA 118 9.215 9.621 -5.313 949 H VAL 119 H VAL 119 7.717 5.743 -4.937 950 HA VAL 119 HA VAL 119 7.590 4.840 -2.169 951 HB VAL 119 HB VAL 119 7.772 3.393 -4.849 952 HG11 VAL 119 HG11 VAL 119 8.446 1.733 -3.550 953 HG12 VAL 119 HG12 VAL 119 7.835 2.487 -2.063 954 HG13 VAL 119 HG13 VAL 119 6.730 1.569 -3.103 955 HG21 VAL 119 HG21 VAL 119 5.264 2.871 -4.097 956 HG22 VAL 119 HG22 VAL 119 5.467 4.434 -3.275 957 HG23 VAL 119 HG23 VAL 119 5.692 4.303 -5.027 958 H ARG 120 H ARG 120 9.492 4.453 -1.031 959 HA ARG 120 HA ARG 120 11.927 3.764 -2.547 960 HB2 ARG 120 HB2 ARG 120 12.299 5.666 -0.245 961 HB3 ARG 120 HB3 ARG 120 13.333 5.324 -1.618 962 HG2 ARG 120 HG2 ARG 120 11.470 6.551 -3.019 963 HG3 ARG 120 HG3 ARG 120 10.904 7.130 -1.436 964 HD2 ARG 120 HD2 ARG 120 13.285 7.929 -1.019 965 HD3 ARG 120 HD3 ARG 120 13.657 7.505 -2.694 966 HE ARG 120 HE ARG 120 12.400 9.856 -1.731 967 HH11 ARG 120 HH11 ARG 120 12.361 7.672 -4.508 968 HH12 ARG 120 HH12 ARG 120 11.874 8.870 -5.658 969 HH21 ARG 120 HH21 ARG 120 11.464 11.473 -3.246 970 HH22 ARG 120 HH22 ARG 120 11.225 11.000 -4.848 971 H PHE 121 H PHE 121 13.702 3.006 -0.880 972 HA PHE 121 HA PHE 121 12.493 0.825 0.523 973 HB2 PHE 121 HB2 PHE 121 15.306 1.877 0.055 974 HB3 PHE 121 HB3 PHE 121 15.025 0.599 1.228 975 HD1 PHE 121 HD1 PHE 121 13.228 -1.122 0.350 976 HD2 PHE 121 HD2 PHE 121 15.960 1.114 -2.036 977 HE1 PHE 121 HE1 PHE 121 13.107 -2.860 -1.382 978 HE2 PHE 121 HE2 PHE 121 15.981 -0.706 -3.814 979 HZ PHE 121 HZ PHE 121 14.594 -2.738 -3.442 980 H ALA 122 H ALA 122 13.213 3.740 1.410 981 HA ALA 122 HA ALA 122 13.073 5.110 3.356 982 HB1 ALA 122 HB1 ALA 122 12.366 2.999 5.282 983 HB2 ALA 122 HB2 ALA 122 11.626 4.596 4.985 984 HB3 ALA 122 HB3 ALA 122 11.224 3.217 3.972 985 H SER 123 H SER 123 15.018 5.807 4.247 986 HA SER 123 HA SER 123 16.859 3.757 5.378 987 HB2 SER 123 HB2 SER 123 17.810 6.395 4.294 988 HB3 SER 123 HB3 SER 123 18.738 4.960 4.742 989 HG SER 123 HG SER 123 18.258 4.005 2.926 990 H SER 124 H SER 124 15.565 3.987 7.216 991 HA SER 124 HA SER 124 15.837 6.524 8.763 992 HB2 SER 124 HB2 SER 124 14.478 4.804 10.414 993 HB3 SER 124 HB3 SER 124 13.749 5.944 9.332 994 HG SER 124 HG SER 124 13.288 3.474 9.348 Start of MODEL 3 1 H1 MET 1 H1 MET 1 11.017 -5.647 5.268 2 HA MET 1 HA MET 1 12.954 -3.787 4.011 3 HB2 MET 1 HB2 MET 1 12.543 -5.640 2.581 4 HB3 MET 1 HB3 MET 1 10.786 -5.533 2.770 5 HG2 MET 1 HG2 MET 1 10.775 -3.420 1.537 6 HG3 MET 1 HG3 MET 1 12.536 -3.449 1.418 7 HE1 MET 1 HE1 MET 1 13.097 -6.651 -0.864 8 HE2 MET 1 HE2 MET 1 13.846 -5.064 -0.566 9 HE3 MET 1 HE3 MET 1 13.483 -6.156 0.779 10 H ARG 2 H ARG 2 12.476 -1.865 4.853 11 HA ARG 2 HA ARG 2 9.699 -0.999 5.256 12 HB2 ARG 2 HB2 ARG 2 12.416 0.297 5.399 13 HB3 ARG 2 HB3 ARG 2 10.919 1.264 5.525 14 HG2 ARG 2 HG2 ARG 2 10.205 -0.049 7.489 15 HG3 ARG 2 HG3 ARG 2 11.694 -1.007 7.397 16 HD2 ARG 2 HD2 ARG 2 11.475 1.963 7.990 17 HD3 ARG 2 HD3 ARG 2 11.960 0.670 9.099 18 HE ARG 2 HE ARG 2 13.666 0.681 6.798 19 HH11 ARG 2 HH11 ARG 2 13.187 2.489 9.879 20 HH12 ARG 2 HH12 ARG 2 14.686 3.383 9.600 21 HH21 ARG 2 HH21 ARG 2 15.559 1.974 6.587 22 HH22 ARG 2 HH22 ARG 2 16.017 3.003 7.952 23 H VAL 3 H VAL 3 8.941 0.982 4.081 24 HA VAL 3 HA VAL 3 10.312 1.679 1.674 25 HB VAL 3 HB VAL 3 7.550 0.451 1.661 26 HG11 VAL 3 HG11 VAL 3 8.585 2.124 -0.640 27 HG12 VAL 3 HG12 VAL 3 7.100 1.166 -0.601 28 HG13 VAL 3 HG13 VAL 3 7.250 2.575 0.443 29 HG21 VAL 3 HG21 VAL 3 10.035 -0.068 0.060 30 HG22 VAL 3 HG22 VAL 3 9.136 -1.173 1.145 31 HG23 VAL 3 HG23 VAL 3 8.434 -0.713 -0.405 32 H GLU 4 H GLU 4 10.137 3.936 1.394 33 HA GLU 4 HA GLU 4 8.201 5.454 3.104 34 HB2 GLU 4 HB2 GLU 4 10.590 6.067 3.474 35 HB3 GLU 4 HB3 GLU 4 10.782 6.342 1.743 36 HG2 GLU 4 HG2 GLU 4 8.985 8.151 1.940 37 HG3 GLU 4 HG3 GLU 4 9.009 7.884 3.681 38 H LEU 5 H LEU 5 6.474 6.292 1.999 39 HA LEU 5 HA LEU 5 6.671 6.742 -0.907 40 HB2 LEU 5 HB2 LEU 5 4.269 6.908 0.955 41 HB3 LEU 5 HB3 LEU 5 4.263 6.982 -0.780 42 HG LEU 5 HG LEU 5 3.403 4.936 -0.154 43 HD11 LEU 5 HD11 LEU 5 4.757 4.670 -2.072 44 HD12 LEU 5 HD12 LEU 5 5.005 3.216 -1.088 45 HD13 LEU 5 HD13 LEU 5 6.245 4.474 -1.106 46 HD21 LEU 5 HD21 LEU 5 5.759 4.029 1.473 47 HD22 LEU 5 HD22 LEU 5 4.167 3.271 1.217 48 HD23 LEU 5 HD23 LEU 5 4.297 4.775 2.137 49 H LEU 6 H LEU 6 7.615 8.739 -1.173 50 HA LEU 6 HA LEU 6 6.769 11.030 0.588 51 HB2 LEU 6 HB2 LEU 6 9.220 10.340 -0.788 52 HB3 LEU 6 HB3 LEU 6 8.571 11.740 -1.607 53 HG LEU 6 HG LEU 6 8.791 11.674 1.429 54 HD11 LEU 6 HD11 LEU 6 10.929 12.903 1.223 55 HD12 LEU 6 HD12 LEU 6 10.952 12.553 -0.512 56 HD13 LEU 6 HD13 LEU 6 11.042 11.231 0.676 57 HD21 LEU 6 HD21 LEU 6 8.754 13.938 -0.628 58 HD22 LEU 6 HD22 LEU 6 8.880 14.133 1.126 59 HD23 LEU 6 HD23 LEU 6 7.397 13.479 0.410 60 H PHE 7 H PHE 7 5.409 12.567 -0.206 61 HA PHE 7 HA PHE 7 4.559 12.371 -3.045 62 HB2 PHE 7 HB2 PHE 7 2.765 13.199 -0.801 63 HB3 PHE 7 HB3 PHE 7 2.296 12.687 -2.380 64 HD1 PHE 7 HD1 PHE 7 2.161 10.163 -2.816 65 HD2 PHE 7 HD2 PHE 7 3.131 11.693 1.072 66 HE1 PHE 7 HE1 PHE 7 1.406 8.073 -1.786 67 HE2 PHE 7 HE2 PHE 7 2.446 9.527 2.109 68 HZ PHE 7 HZ PHE 7 1.596 7.709 0.666 69 H GLU 8 H GLU 8 3.336 14.565 -3.613 70 HA GLU 8 HA GLU 8 5.027 16.814 -2.999 71 HB2 GLU 8 HB2 GLU 8 2.246 16.578 -4.186 72 HB3 GLU 8 HB3 GLU 8 3.066 18.108 -4.026 73 HG2 GLU 8 HG2 GLU 8 4.740 16.069 -5.350 74 HG3 GLU 8 HG3 GLU 8 3.202 16.356 -6.179 75 H SER 9 H SER 9 2.064 15.581 -1.530 76 HA SER 9 HA SER 9 1.735 18.053 0.092 77 HB2 SER 9 HB2 SER 9 -0.067 15.662 -0.410 78 HB3 SER 9 HB3 SER 9 -0.474 17.006 0.638 79 HG SER 9 HG SER 9 0.125 18.234 -1.480 80 H GLY 10 H GLY 10 3.442 15.152 0.618 81 HA2 GLY 10 HA2 GLY 10 3.691 15.423 3.367 82 HA3 GLY 10 HA3 GLY 10 2.314 14.344 3.112 83 H LYS 11 H LYS 11 3.835 12.838 4.303 84 HA LYS 11 HA LYS 11 4.768 11.042 2.252 85 HB2 LYS 11 HB2 LYS 11 6.999 10.675 3.170 86 HB3 LYS 11 HB3 LYS 11 6.776 12.247 2.414 87 HG2 LYS 11 HG2 LYS 11 7.358 13.374 4.246 88 HG3 LYS 11 HG3 LYS 11 6.253 12.468 5.288 89 HD2 LYS 11 HD2 LYS 11 7.901 10.613 5.424 90 HD3 LYS 11 HD3 LYS 11 9.031 11.552 4.460 91 HE2 LYS 11 HE2 LYS 11 7.866 12.297 7.176 92 HE3 LYS 11 HE3 LYS 11 9.505 11.718 6.885 93 HZ1 LYS 11 HZ1 LYS 11 9.890 13.791 5.634 94 HZ2 LYS 11 HZ2 LYS 11 9.409 14.065 7.210 95 HZ3 LYS 11 HZ3 LYS 11 8.354 14.297 6.023 96 H CYS 12 H CYS 12 4.901 8.870 3.003 97 HA CYS 12 HA CYS 12 4.451 8.449 5.873 98 HB2 CYS 12 HB2 CYS 12 2.687 6.906 5.555 99 HB3 CYS 12 HB3 CYS 12 2.222 8.401 4.755 100 HG CYS 12 HG CYS 12 2.238 5.536 3.742 101 H VAL 13 H VAL 13 4.642 6.041 6.258 102 HA VAL 13 HA VAL 13 6.730 4.859 4.531 103 HB VAL 13 HB VAL 13 7.023 4.825 7.511 104 HG11 VAL 13 HG11 VAL 13 8.254 3.071 6.319 105 HG12 VAL 13 HG12 VAL 13 9.074 4.308 5.342 106 HG13 VAL 13 HG13 VAL 13 9.356 4.204 7.090 107 HG21 VAL 13 HG21 VAL 13 8.759 6.525 7.456 108 HG22 VAL 13 HG22 VAL 13 8.506 6.775 5.716 109 HG23 VAL 13 HG23 VAL 13 7.258 7.223 6.904 110 H ILE 14 H ILE 14 6.685 2.620 4.605 111 HA ILE 14 HA ILE 14 4.612 1.361 6.214 112 HB ILE 14 HB ILE 14 3.966 0.002 4.369 113 HG12 ILE 14 HG12 ILE 14 5.787 1.679 2.625 114 HG13 ILE 14 HG13 ILE 14 6.036 -0.004 3.080 115 HG21 ILE 14 HG21 ILE 14 2.719 2.087 4.786 116 HG22 ILE 14 HG22 ILE 14 3.737 2.968 3.625 117 HG23 ILE 14 HG23 ILE 14 2.637 1.687 3.074 118 HD11 ILE 14 HD11 ILE 14 3.698 0.878 1.345 119 HD12 ILE 14 HD12 ILE 14 5.287 0.423 0.713 120 HD13 ILE 14 HD13 ILE 14 4.358 -0.770 1.600 121 H ASP 15 H ASP 15 5.096 -0.886 6.585 122 HA ASP 15 HA ASP 15 7.904 -1.643 5.926 123 HB2 ASP 15 HB2 ASP 15 7.345 -1.475 8.414 124 HB3 ASP 15 HB3 ASP 15 6.329 -2.882 8.148 125 H LEU 16 H LEU 16 8.123 -3.414 4.630 126 HA LEU 16 HA LEU 16 5.720 -5.078 4.113 127 HB2 LEU 16 HB2 LEU 16 7.970 -4.205 2.310 128 HB3 LEU 16 HB3 LEU 16 6.838 -5.474 1.863 129 HG LEU 16 HG LEU 16 6.028 -2.596 2.469 130 HD11 LEU 16 HD11 LEU 16 7.546 -2.751 0.510 131 HD12 LEU 16 HD12 LEU 16 5.904 -2.268 0.054 132 HD13 LEU 16 HD13 LEU 16 6.470 -3.946 -0.230 133 HD21 LEU 16 HD21 LEU 16 4.557 -4.808 0.951 134 HD22 LEU 16 HD22 LEU 16 3.915 -3.197 1.437 135 HD23 LEU 16 HD23 LEU 16 4.294 -4.428 2.640 136 H ASN 17 H ASN 17 5.990 -7.168 4.312 137 HA ASN 17 HA ASN 17 8.376 -8.096 5.741 138 HB2 ASN 17 HB2 ASN 17 6.094 -8.659 6.520 139 HB3 ASN 17 HB3 ASN 17 5.768 -9.407 4.977 140 HD21 ASN 17 HD21 ASN 17 8.903 -9.916 6.856 141 HD22 ASN 17 HD22 ASN 17 8.453 -11.586 7.163 142 H GLU 18 H GLU 18 10.088 -9.032 4.701 143 HA GLU 18 HA GLU 18 10.217 -9.358 1.900 144 HB2 GLU 18 HB2 GLU 18 12.076 -10.113 4.172 145 HB3 GLU 18 HB3 GLU 18 12.532 -10.223 2.477 146 HG2 GLU 18 HG2 GLU 18 12.168 -7.858 2.159 147 HG3 GLU 18 HG3 GLU 18 11.617 -7.661 3.833 148 H GLU 19 H GLU 19 8.244 -11.283 3.190 149 HA GLU 19 HA GLU 19 9.447 -13.909 2.523 150 HB2 GLU 19 HB2 GLU 19 7.911 -13.239 5.053 151 HB3 GLU 19 HB3 GLU 19 8.578 -14.811 4.589 152 HG2 GLU 19 HG2 GLU 19 10.834 -13.407 4.261 153 HG3 GLU 19 HG3 GLU 19 10.049 -12.250 5.333 154 H TYR 20 H TYR 20 7.688 -12.035 1.098 155 HA TYR 20 HA TYR 20 5.562 -13.956 0.320 156 HB2 TYR 20 HB2 TYR 20 5.407 -10.923 0.467 157 HB3 TYR 20 HB3 TYR 20 4.193 -11.959 -0.242 158 HD1 TYR 20 HD1 TYR 20 3.212 -13.835 1.331 159 HD2 TYR 20 HD2 TYR 20 5.128 -10.252 2.737 160 HE1 TYR 20 HE1 TYR 20 2.003 -14.031 3.540 161 HE2 TYR 20 HE2 TYR 20 3.923 -10.436 4.887 162 HH TYR 20 HH TYR 20 2.692 -11.897 6.243 163 H GLU 21 H GLU 21 5.377 -14.127 -1.939 164 HA GLU 21 HA GLU 21 7.485 -13.785 -3.712 165 HB2 GLU 21 HB2 GLU 21 5.327 -15.153 -3.874 166 HB3 GLU 21 HB3 GLU 21 4.509 -13.687 -4.419 167 HG2 GLU 21 HG2 GLU 21 5.536 -13.692 -6.486 168 HG3 GLU 21 HG3 GLU 21 7.001 -14.434 -5.884 169 H VAL 22 H VAL 22 4.724 -11.611 -3.191 170 HA VAL 22 HA VAL 22 5.326 -9.731 -5.163 171 HB VAL 22 HB VAL 22 4.384 -8.740 -2.486 172 HG11 VAL 22 HG11 VAL 22 2.742 -7.508 -3.743 173 HG12 VAL 22 HG12 VAL 22 4.352 -7.251 -4.422 174 HG13 VAL 22 HG13 VAL 22 3.212 -8.340 -5.239 175 HG21 VAL 22 HG21 VAL 22 3.359 -10.710 -2.183 176 HG22 VAL 22 HG22 VAL 22 2.154 -9.516 -2.658 177 HG23 VAL 22 HG23 VAL 22 2.662 -10.743 -3.846 178 H VAL 23 H VAL 23 6.535 -9.929 -1.764 179 HA VAL 23 HA VAL 23 7.361 -7.243 -1.933 180 HB VAL 23 HB VAL 23 8.002 -9.372 0.139 181 HG11 VAL 23 HG11 VAL 23 8.539 -6.361 0.225 182 HG12 VAL 23 HG12 VAL 23 8.629 -7.447 1.634 183 HG13 VAL 23 HG13 VAL 23 9.757 -7.655 0.281 184 HG21 VAL 23 HG21 VAL 23 6.110 -6.989 0.239 185 HG22 VAL 23 HG22 VAL 23 5.578 -8.652 -0.103 186 HG23 VAL 23 HG23 VAL 23 6.264 -8.226 1.467 187 H LYS 24 H LYS 24 8.989 -10.436 -2.120 188 HA LYS 24 HA LYS 24 11.653 -9.621 -2.628 189 HB2 LYS 24 HB2 LYS 24 10.064 -12.034 -3.570 190 HB3 LYS 24 HB3 LYS 24 11.822 -11.911 -3.492 191 HG2 LYS 24 HG2 LYS 24 11.829 -11.968 -1.082 192 HG3 LYS 24 HG3 LYS 24 10.092 -11.690 -0.989 193 HD2 LYS 24 HD2 LYS 24 9.814 -13.914 -2.277 194 HD3 LYS 24 HD3 LYS 24 11.504 -14.207 -1.881 195 HE2 LYS 24 HE2 LYS 24 9.914 -13.303 0.437 196 HE3 LYS 24 HE3 LYS 24 9.178 -14.708 -0.322 197 HZ1 LYS 24 HZ1 LYS 24 11.984 -14.682 0.636 198 HZ2 LYS 24 HZ2 LYS 24 11.088 -15.997 0.123 199 HZ3 LYS 24 HZ3 LYS 24 10.734 -15.253 1.501 200 H LEU 25 H LEU 25 8.780 -9.649 -4.719 201 HA LEU 25 HA LEU 25 10.391 -9.213 -7.149 202 HB2 LEU 25 HB2 LEU 25 7.452 -9.632 -6.509 203 HB3 LEU 25 HB3 LEU 25 7.909 -8.932 -8.054 204 HG LEU 25 HG LEU 25 9.036 -11.589 -7.029 205 HD11 LEU 25 HD11 LEU 25 6.841 -11.128 -9.066 206 HD12 LEU 25 HD12 LEU 25 6.641 -11.799 -7.410 207 HD13 LEU 25 HD13 LEU 25 7.570 -12.682 -8.612 208 HD21 LEU 25 HD21 LEU 25 10.526 -10.697 -8.651 209 HD22 LEU 25 HD22 LEU 25 9.209 -9.986 -9.614 210 HD23 LEU 25 HD23 LEU 25 9.459 -11.732 -9.601 211 H LEU 26 H LEU 26 8.598 -7.278 -4.820 212 HA LEU 26 HA LEU 26 8.647 -4.848 -6.404 213 HB2 LEU 26 HB2 LEU 26 7.795 -5.689 -3.726 214 HB3 LEU 26 HB3 LEU 26 8.716 -4.205 -3.657 215 HG LEU 26 HG LEU 26 6.349 -4.658 -5.532 216 HD11 LEU 26 HD11 LEU 26 6.406 -3.398 -2.785 217 HD12 LEU 26 HD12 LEU 26 5.515 -4.824 -3.354 218 HD13 LEU 26 HD13 LEU 26 5.059 -3.235 -3.945 219 HD21 LEU 26 HD21 LEU 26 7.658 -2.067 -4.644 220 HD22 LEU 26 HD22 LEU 26 6.261 -2.216 -5.739 221 HD23 LEU 26 HD23 LEU 26 7.862 -2.783 -6.250 222 H LYS 27 H LYS 27 10.959 -6.495 -4.401 223 HA LYS 27 HA LYS 27 12.794 -4.429 -3.911 224 HB2 LYS 27 HB2 LYS 27 12.967 -6.674 -2.992 225 HB3 LYS 27 HB3 LYS 27 13.229 -7.382 -4.579 226 HG2 LYS 27 HG2 LYS 27 15.124 -5.239 -3.635 227 HG3 LYS 27 HG3 LYS 27 15.235 -6.842 -2.915 228 HD2 LYS 27 HD2 LYS 27 15.939 -7.874 -4.883 229 HD3 LYS 27 HD3 LYS 27 15.137 -6.716 -5.925 230 HE2 LYS 27 HE2 LYS 27 17.304 -6.061 -6.250 231 HE3 LYS 27 HE3 LYS 27 16.809 -4.949 -4.971 232 HZ1 LYS 27 HZ1 LYS 27 18.412 -7.404 -4.753 233 HZ2 LYS 27 HZ2 LYS 27 17.812 -6.646 -3.402 234 HZ3 LYS 27 HZ3 LYS 27 18.888 -5.865 -4.389 235 H GLU 28 H GLU 28 12.078 -6.128 -6.899 236 HA GLU 28 HA GLU 28 14.511 -5.397 -8.329 237 HB2 GLU 28 HB2 GLU 28 11.786 -6.531 -9.073 238 HB3 GLU 28 HB3 GLU 28 12.959 -6.140 -10.309 239 HG2 GLU 28 HG2 GLU 28 13.945 -7.829 -8.007 240 HG3 GLU 28 HG3 GLU 28 12.811 -8.569 -9.133 241 H LYS 29 H LYS 29 11.604 -3.705 -7.545 242 HA LYS 29 HA LYS 29 11.950 -1.794 -9.804 243 HB2 LYS 29 HB2 LYS 29 9.348 -2.586 -8.444 244 HB3 LYS 29 HB3 LYS 29 9.561 -1.564 -9.865 245 HG2 LYS 29 HG2 LYS 29 10.001 -4.567 -9.722 246 HG3 LYS 29 HG3 LYS 29 8.661 -3.711 -10.488 247 HD2 LYS 29 HD2 LYS 29 10.258 -2.672 -12.110 248 HD3 LYS 29 HD3 LYS 29 11.570 -3.608 -11.373 249 HE2 LYS 29 HE2 LYS 29 10.027 -5.673 -11.746 250 HE3 LYS 29 HE3 LYS 29 9.152 -4.636 -12.887 251 HZ1 LYS 29 HZ1 LYS 29 11.222 -6.168 -13.488 252 HZ2 LYS 29 HZ2 LYS 29 12.046 -4.791 -13.213 253 HZ3 LYS 29 HZ3 LYS 29 10.843 -4.801 -14.342 254 H ILE 30 H ILE 30 12.827 -1.855 -6.699 255 HA ILE 30 HA ILE 30 11.484 0.734 -6.071 256 HB ILE 30 HB ILE 30 12.645 -1.362 -4.258 257 HG12 ILE 30 HG12 ILE 30 9.935 0.057 -4.163 258 HG13 ILE 30 HG13 ILE 30 10.177 -1.379 -5.127 259 HG21 ILE 30 HG21 ILE 30 12.201 0.174 -2.354 260 HG22 ILE 30 HG22 ILE 30 13.407 0.878 -3.408 261 HG23 ILE 30 HG23 ILE 30 11.717 1.447 -3.462 262 HD11 ILE 30 HD11 ILE 30 10.820 -2.670 -3.104 263 HD12 ILE 30 HD12 ILE 30 10.548 -1.230 -2.101 264 HD13 ILE 30 HD13 ILE 30 9.201 -1.963 -2.959 265 HA PRO 31 HA PRO 31 11.872 2.682 -5.231 266 HB2 PRO 31 HB2 PRO 31 12.518 5.148 -6.235 267 HB3 PRO 31 HB3 PRO 31 13.072 4.509 -4.653 268 HG2 PRO 31 HG2 PRO 31 14.606 4.650 -7.208 269 HG3 PRO 31 HG3 PRO 31 15.109 5.005 -5.500 270 HD2 PRO 31 HD2 PRO 31 15.629 2.584 -6.767 271 HD3 PRO 31 HD3 PRO 31 15.374 2.789 -5.008 272 H PHE 32 H PHE 32 10.226 3.892 -6.417 273 HA PHE 32 HA PHE 32 10.408 4.087 -9.221 274 HB2 PHE 32 HB2 PHE 32 8.413 2.922 -9.863 275 HB3 PHE 32 HB3 PHE 32 9.545 1.805 -9.184 276 HD1 PHE 32 HD1 PHE 32 9.135 0.955 -6.773 277 HD2 PHE 32 HD2 PHE 32 6.249 3.343 -8.878 278 HE1 PHE 32 HE1 PHE 32 7.349 -0.030 -5.407 279 HE2 PHE 32 HE2 PHE 32 4.485 2.468 -7.358 280 HZ PHE 32 HZ PHE 32 4.993 0.689 -5.731 281 H GLU 33 H GLU 33 8.518 5.443 -10.039 282 HA GLU 33 HA GLU 33 7.167 6.919 -7.851 283 HB2 GLU 33 HB2 GLU 33 8.263 7.855 -10.513 284 HB3 GLU 33 HB3 GLU 33 7.355 8.812 -9.400 285 HG2 GLU 33 HG2 GLU 33 9.569 9.449 -9.233 286 HG3 GLU 33 HG3 GLU 33 9.173 8.620 -7.745 287 H SER 34 H SER 34 5.071 7.848 -8.449 288 HA SER 34 HA SER 34 3.599 6.838 -10.761 289 HB2 SER 34 HB2 SER 34 3.975 4.852 -9.213 290 HB3 SER 34 HB3 SER 34 2.835 5.643 -8.108 291 HG SER 34 HG SER 34 2.237 5.238 -10.874 292 H VAL 35 H VAL 35 1.127 6.914 -9.970 293 HA VAL 35 HA VAL 35 0.546 9.703 -9.228 294 HB VAL 35 HB VAL 35 -1.361 7.577 -10.316 295 HG11 VAL 35 HG11 VAL 35 -1.373 10.623 -10.451 296 HG12 VAL 35 HG12 VAL 35 -2.596 9.551 -11.169 297 HG13 VAL 35 HG13 VAL 35 -2.410 9.617 -9.423 298 HG21 VAL 35 HG21 VAL 35 -0.977 8.468 -12.596 299 HG22 VAL 35 HG22 VAL 35 0.415 9.387 -11.978 300 HG23 VAL 35 HG23 VAL 35 0.409 7.603 -11.954 301 H VAL 36 H VAL 36 -0.817 10.109 -7.439 302 HA VAL 36 HA VAL 36 -1.395 7.880 -5.597 303 HB VAL 36 HB VAL 36 -1.591 10.946 -5.277 304 HG11 VAL 36 HG11 VAL 36 -1.126 9.102 -2.991 305 HG12 VAL 36 HG12 VAL 36 -1.782 10.728 -3.029 306 HG13 VAL 36 HG13 VAL 36 -2.800 9.422 -3.618 307 HG21 VAL 36 HG21 VAL 36 0.479 11.028 -4.121 308 HG22 VAL 36 HG22 VAL 36 0.736 9.264 -4.353 309 HG23 VAL 36 HG23 VAL 36 0.752 10.372 -5.730 310 H ASN 37 H ASN 37 -3.331 7.029 -6.586 311 HA ASN 37 HA ASN 37 -5.490 9.018 -7.219 312 HB2 ASN 37 HB2 ASN 37 -5.366 6.034 -7.695 313 HB3 ASN 37 HB3 ASN 37 -6.748 7.078 -8.037 314 HD21 ASN 37 HD21 ASN 37 -3.803 5.841 -9.380 315 HD22 ASN 37 HD22 ASN 37 -4.024 6.745 -10.852 316 H THR 38 H THR 38 -7.547 8.664 -6.121 317 HA THR 38 HA THR 38 -7.265 7.451 -3.407 318 HB THR 38 HB THR 38 -8.510 9.481 -2.591 319 HG1 THR 38 HG1 THR 38 -8.093 10.272 -5.264 320 HG21 THR 38 HG21 THR 38 -6.528 10.890 -2.424 321 HG22 THR 38 HG22 THR 38 -5.760 10.046 -3.786 322 HG23 THR 38 HG23 THR 38 -6.103 9.176 -2.278 323 H TRP 39 H TRP 39 -9.246 6.767 -2.346 324 HA TRP 39 HA TRP 39 -11.735 6.670 -3.727 325 HB2 TRP 39 HB2 TRP 39 -10.591 5.056 -5.153 326 HB3 TRP 39 HB3 TRP 39 -9.877 4.259 -3.754 327 HD1 TRP 39 HD1 TRP 39 -13.234 4.646 -5.559 328 HE1 TRP 39 HE1 TRP 39 -14.719 2.629 -5.018 329 HE3 TRP 39 HE3 TRP 39 -10.211 2.311 -2.143 330 HZ2 TRP 39 HZ2 TRP 39 -14.434 0.103 -3.574 331 HZ3 TRP 39 HZ3 TRP 39 -10.799 0.091 -1.275 332 HH2 TRP 39 HH2 TRP 39 -12.905 -1.030 -1.989 333 H GLY 40 H GLY 40 -12.676 7.238 -1.724 334 HA2 GLY 40 HA2 GLY 40 -13.867 6.448 0.004 335 HA3 GLY 40 HA3 GLY 40 -13.053 4.899 -0.147 336 H GLU 41 H GLU 41 -11.584 7.972 0.614 337 HA GLU 41 HA GLU 41 -9.868 8.459 1.997 338 HB2 GLU 41 HB2 GLU 41 -9.977 8.300 4.360 339 HB3 GLU 41 HB3 GLU 41 -11.364 9.120 3.639 340 HG2 GLU 41 HG2 GLU 41 -12.724 7.114 4.061 341 HG3 GLU 41 HG3 GLU 41 -11.226 6.297 4.566 342 H GLU 42 H GLU 42 -9.345 6.577 0.365 343 HA GLU 42 HA GLU 42 -7.174 5.277 1.749 344 HB2 GLU 42 HB2 GLU 42 -8.379 3.436 1.742 345 HB3 GLU 42 HB3 GLU 42 -9.369 3.827 0.379 346 HG2 GLU 42 HG2 GLU 42 -7.775 3.051 -1.193 347 HG3 GLU 42 HG3 GLU 42 -6.448 3.103 -0.016 348 H ILE 43 H ILE 43 -5.480 4.759 0.144 349 HA ILE 43 HA ILE 43 -5.351 6.599 -2.184 350 HB ILE 43 HB ILE 43 -3.398 6.314 0.138 351 HG12 ILE 43 HG12 ILE 43 -4.413 8.909 -1.062 352 HG13 ILE 43 HG13 ILE 43 -5.303 8.077 0.219 353 HG21 ILE 43 HG21 ILE 43 -1.899 7.870 -1.223 354 HG22 ILE 43 HG22 ILE 43 -2.044 6.217 -1.814 355 HG23 ILE 43 HG23 ILE 43 -2.953 7.520 -2.620 356 HD11 ILE 43 HD11 ILE 43 -3.989 9.669 1.292 357 HD12 ILE 43 HD12 ILE 43 -3.125 8.144 1.568 358 HD13 ILE 43 HD13 ILE 43 -2.533 9.307 0.357 359 H TYR 44 H TYR 44 -4.283 5.623 -3.934 360 HA TYR 44 HA TYR 44 -2.690 3.192 -3.516 361 HB2 TYR 44 HB2 TYR 44 -4.055 1.887 -5.063 362 HB3 TYR 44 HB3 TYR 44 -4.940 2.264 -3.583 363 HD1 TYR 44 HD1 TYR 44 -6.642 4.203 -3.682 364 HD2 TYR 44 HD2 TYR 44 -4.915 2.386 -7.185 365 HE1 TYR 44 HE1 TYR 44 -8.350 5.253 -5.068 366 HE2 TYR 44 HE2 TYR 44 -6.725 3.389 -8.601 367 HH TYR 44 HH TYR 44 -9.261 5.478 -7.129 368 H PHE 45 H PHE 45 -1.451 2.636 -5.287 369 HA PHE 45 HA PHE 45 -1.308 4.543 -7.565 370 HB2 PHE 45 HB2 PHE 45 1.185 4.304 -7.277 371 HB3 PHE 45 HB3 PHE 45 0.343 5.362 -6.178 372 HD1 PHE 45 HD1 PHE 45 -0.315 4.540 -3.908 373 HD2 PHE 45 HD2 PHE 45 2.609 2.577 -6.329 374 HE1 PHE 45 HE1 PHE 45 0.970 3.864 -1.818 375 HE2 PHE 45 HE2 PHE 45 3.928 2.002 -4.265 376 HZ PHE 45 HZ PHE 45 3.073 2.630 -2.049 377 H SER 46 H SER 46 -0.139 3.558 -9.431 378 HA SER 46 HA SER 46 -1.184 0.789 -9.630 379 HB2 SER 46 HB2 SER 46 -1.929 2.403 -11.234 380 HB3 SER 46 HB3 SER 46 -0.269 2.853 -11.647 381 HG SER 46 HG SER 46 -1.751 0.532 -12.243 382 H THR 47 H THR 47 0.490 -0.202 -8.417 383 HA THR 47 HA THR 47 3.176 0.271 -8.645 384 HB THR 47 HB THR 47 3.674 -1.717 -7.471 385 HG1 THR 47 HG1 THR 47 1.115 -2.746 -8.098 386 HG21 THR 47 HG21 THR 47 2.503 0.010 -6.191 387 HG22 THR 47 HG22 THR 47 2.189 -1.636 -5.577 388 HG23 THR 47 HG23 THR 47 0.942 -0.796 -6.515 389 HA PRO 48 HA PRO 48 4.786 -1.582 -12.368 390 HB2 PRO 48 HB2 PRO 48 7.396 -1.723 -11.699 391 HB3 PRO 48 HB3 PRO 48 6.570 -0.135 -11.777 392 HG2 PRO 48 HG2 PRO 48 6.997 -1.923 -9.333 393 HG3 PRO 48 HG3 PRO 48 7.517 -0.231 -9.538 394 HD2 PRO 48 HD2 PRO 48 5.219 -0.746 -8.358 395 HD3 PRO 48 HD3 PRO 48 5.308 0.578 -9.558 396 H VAL 49 H VAL 49 4.196 -3.263 -9.626 397 HA VAL 49 HA VAL 49 5.466 -5.788 -10.561 398 HB VAL 49 HB VAL 49 4.555 -4.990 -7.785 399 HG11 VAL 49 HG11 VAL 49 5.876 -7.579 -8.717 400 HG12 VAL 49 HG12 VAL 49 5.531 -7.123 -7.029 401 HG13 VAL 49 HG13 VAL 49 4.198 -7.416 -8.138 402 HG21 VAL 49 HG21 VAL 49 6.659 -3.954 -8.210 403 HG22 VAL 49 HG22 VAL 49 7.049 -5.492 -7.409 404 HG23 VAL 49 HG23 VAL 49 7.260 -5.353 -9.136 405 H ASN 50 H ASN 50 4.376 -7.330 -11.263 406 HA ASN 50 HA ASN 50 1.401 -7.213 -11.283 407 HB2 ASN 50 HB2 ASN 50 3.440 -8.062 -13.360 408 HB3 ASN 50 HB3 ASN 50 1.720 -8.445 -13.486 409 HD21 ASN 50 HD21 ASN 50 1.517 -7.121 -15.442 410 HD22 ASN 50 HD22 ASN 50 1.565 -5.384 -15.266 411 H VAL 51 H VAL 51 1.858 -8.356 -9.121 412 HA VAL 51 HA VAL 51 2.469 -11.263 -9.468 413 HB VAL 51 HB VAL 51 2.706 -9.308 -7.162 414 HG11 VAL 51 HG11 VAL 51 3.598 -11.240 -5.816 415 HG12 VAL 51 HG12 VAL 51 1.859 -11.337 -6.096 416 HG13 VAL 51 HG13 VAL 51 2.977 -12.353 -7.051 417 HG21 VAL 51 HG21 VAL 51 4.679 -11.235 -8.402 418 HG22 VAL 51 HG22 VAL 51 4.545 -9.554 -8.933 419 HG23 VAL 51 HG23 VAL 51 5.052 -9.921 -7.273 420 H GLN 52 H GLN 52 0.868 -12.678 -9.182 421 HA GLN 52 HA GLN 52 -1.630 -11.815 -7.835 422 HB2 GLN 52 HB2 GLN 52 -1.415 -13.418 -10.408 423 HB3 GLN 52 HB3 GLN 52 -2.860 -13.195 -9.423 424 HG2 GLN 52 HG2 GLN 52 -3.287 -11.386 -10.665 425 HG3 GLN 52 HG3 GLN 52 -2.093 -10.585 -9.644 426 HE21 GLN 52 HE21 GLN 52 0.154 -12.197 -11.220 427 HE22 GLN 52 HE22 GLN 52 0.288 -11.205 -12.641 428 H LYS 53 H LYS 53 0.363 -12.849 -6.404 429 HA LYS 53 HA LYS 53 -0.873 -15.377 -5.480 430 HB2 LYS 53 HB2 LYS 53 1.286 -15.817 -6.572 431 HB3 LYS 53 HB3 LYS 53 2.109 -14.700 -5.473 432 HG2 LYS 53 HG2 LYS 53 1.721 -16.113 -3.569 433 HG3 LYS 53 HG3 LYS 53 0.485 -17.054 -4.404 434 HD2 LYS 53 HD2 LYS 53 2.669 -17.400 -6.070 435 HD3 LYS 53 HD3 LYS 53 3.460 -17.288 -4.494 436 HE2 LYS 53 HE2 LYS 53 1.861 -19.095 -3.711 437 HE3 LYS 53 HE3 LYS 53 1.240 -19.194 -5.368 438 HZ1 LYS 53 HZ1 LYS 53 3.623 -19.632 -6.004 439 HZ2 LYS 53 HZ2 LYS 53 2.859 -20.841 -5.221 440 HZ3 LYS 53 HZ3 LYS 53 3.922 -19.886 -4.392 441 H MET 54 H MET 54 -1.097 -15.472 -3.177 442 HA MET 54 HA MET 54 -0.422 -13.207 -1.542 443 HB2 MET 54 HB2 MET 54 -2.913 -13.079 -0.977 444 HB3 MET 54 HB3 MET 54 -2.293 -12.264 -2.433 445 HG2 MET 54 HG2 MET 54 -3.498 -15.001 -2.711 446 HG3 MET 54 HG3 MET 54 -4.515 -13.601 -2.482 447 HE1 MET 54 HE1 MET 54 -5.533 -14.578 -4.877 448 HE2 MET 54 HE2 MET 54 -4.574 -14.638 -6.377 449 HE3 MET 54 HE3 MET 54 -4.187 -15.730 -5.032 450 H GLU 55 H GLU 55 0.303 -14.257 0.232 451 HA GLU 55 HA GLU 55 -0.567 -17.030 0.693 452 HB2 GLU 55 HB2 GLU 55 1.601 -15.266 1.812 453 HB3 GLU 55 HB3 GLU 55 1.207 -16.775 2.611 454 HG2 GLU 55 HG2 GLU 55 2.095 -16.485 -0.284 455 HG3 GLU 55 HG3 GLU 55 3.129 -16.981 1.059 456 H ASN 56 H ASN 56 -1.184 -13.786 2.151 457 HA ASN 56 HA ASN 56 -2.854 -15.113 4.241 458 HB2 ASN 56 HB2 ASN 56 -0.928 -14.237 5.343 459 HB3 ASN 56 HB3 ASN 56 -1.060 -12.693 4.498 460 HD21 ASN 56 HD21 ASN 56 -1.192 -11.502 6.416 461 HD22 ASN 56 HD22 ASN 56 -2.553 -11.563 7.506 462 HA PRO 57 HA PRO 57 -5.281 -12.373 1.403 463 HB2 PRO 57 HB2 PRO 57 -7.222 -14.118 0.606 464 HB3 PRO 57 HB3 PRO 57 -5.635 -13.965 -0.198 465 HG2 PRO 57 HG2 PRO 57 -6.490 -16.034 1.831 466 HG3 PRO 57 HG3 PRO 57 -5.547 -16.255 0.312 467 HD2 PRO 57 HD2 PRO 57 -4.364 -16.065 2.781 468 HD3 PRO 57 HD3 PRO 57 -3.603 -15.481 1.275 469 H ARG 58 H ARG 58 -6.415 -11.024 2.626 470 HA ARG 58 HA ARG 58 -8.257 -12.036 4.754 471 HB2 ARG 58 HB2 ARG 58 -6.296 -9.733 4.642 472 HB3 ARG 58 HB3 ARG 58 -7.639 -9.663 5.740 473 HG2 ARG 58 HG2 ARG 58 -5.913 -12.145 5.820 474 HG3 ARG 58 HG3 ARG 58 -5.256 -10.662 6.461 475 HD2 ARG 58 HD2 ARG 58 -7.898 -10.853 7.542 476 HD3 ARG 58 HD3 ARG 58 -7.185 -12.454 7.669 477 HE ARG 58 HE ARG 58 -5.408 -10.282 8.485 478 HH11 ARG 58 HH11 ARG 58 -7.906 -12.492 9.758 479 HH12 ARG 58 HH12 ARG 58 -7.600 -12.127 11.405 480 HH21 ARG 58 HH21 ARG 58 -5.088 -9.682 10.658 481 HH22 ARG 58 HH22 ARG 58 -5.915 -10.482 11.926 482 H GLU 59 H GLU 59 -10.307 -11.371 4.559 483 HA GLU 59 HA GLU 59 -10.977 -9.454 2.400 484 HB2 GLU 59 HB2 GLU 59 -12.656 -11.356 4.066 485 HB3 GLU 59 HB3 GLU 59 -13.325 -10.201 2.905 486 HG2 GLU 59 HG2 GLU 59 -12.136 -11.126 1.085 487 HG3 GLU 59 HG3 GLU 59 -11.228 -12.246 2.114 488 H VAL 60 H VAL 60 -10.198 -9.012 5.621 489 HA VAL 60 HA VAL 60 -11.220 -6.341 5.619 490 HB VAL 60 HB VAL 60 -13.055 -7.440 6.464 491 HG11 VAL 60 HG11 VAL 60 -13.183 -8.982 8.320 492 HG12 VAL 60 HG12 VAL 60 -12.421 -9.636 6.874 493 HG13 VAL 60 HG13 VAL 60 -11.405 -9.153 8.274 494 HG21 VAL 60 HG21 VAL 60 -12.435 -5.486 7.850 495 HG22 VAL 60 HG22 VAL 60 -13.271 -6.707 8.830 496 HG23 VAL 60 HG23 VAL 60 -11.522 -6.544 8.946 497 H VAL 61 H VAL 61 -10.075 -5.022 7.115 498 HA VAL 61 HA VAL 61 -7.506 -6.113 8.117 499 HB VAL 61 HB VAL 61 -6.361 -4.444 6.792 500 HG11 VAL 61 HG11 VAL 61 -8.294 -5.948 4.966 501 HG12 VAL 61 HG12 VAL 61 -6.751 -5.282 4.510 502 HG13 VAL 61 HG13 VAL 61 -6.804 -6.608 5.690 503 HG21 VAL 61 HG21 VAL 61 -7.607 -2.529 6.502 504 HG22 VAL 61 HG22 VAL 61 -7.869 -3.266 4.916 505 HG23 VAL 61 HG23 VAL 61 -9.111 -3.393 6.161 506 H GLU 62 H GLU 62 -6.275 -4.092 9.181 507 HA GLU 62 HA GLU 62 -8.257 -2.633 10.867 508 HB2 GLU 62 HB2 GLU 62 -5.240 -2.769 11.283 509 HB3 GLU 62 HB3 GLU 62 -6.456 -2.062 12.355 510 HG2 GLU 62 HG2 GLU 62 -7.513 -4.419 12.407 511 HG3 GLU 62 HG3 GLU 62 -5.982 -4.937 11.703 512 H ILE 63 H ILE 63 -7.444 -0.478 11.454 513 HA ILE 63 HA ILE 63 -7.554 1.140 9.039 514 HB ILE 63 HB ILE 63 -7.466 1.993 11.972 515 HG12 ILE 63 HG12 ILE 63 -9.736 1.816 9.948 516 HG13 ILE 63 HG13 ILE 63 -9.475 0.691 11.279 517 HG21 ILE 63 HG21 ILE 63 -8.108 3.677 9.514 518 HG22 ILE 63 HG22 ILE 63 -8.396 4.196 11.182 519 HG23 ILE 63 HG23 ILE 63 -6.761 3.943 10.645 520 HD11 ILE 63 HD11 ILE 63 -9.811 2.718 12.845 521 HD12 ILE 63 HD12 ILE 63 -10.495 3.518 11.392 522 HD13 ILE 63 HD13 ILE 63 -11.224 2.035 12.016 523 H GLY 64 H GLY 64 -4.889 -0.167 10.470 524 HA2 GLY 64 HA2 GLY 64 -3.075 1.885 9.321 525 HA3 GLY 64 HA3 GLY 64 -2.742 1.168 10.907 526 H ASP 65 H ASP 65 -4.132 -0.658 8.185 527 HA ASP 65 HA ASP 65 -1.593 -2.234 7.981 528 HB2 ASP 65 HB2 ASP 65 -4.427 -2.905 7.106 529 HB3 ASP 65 HB3 ASP 65 -3.023 -3.942 6.908 530 H VAL 66 H VAL 66 -1.439 -3.211 5.606 531 HA VAL 66 HA VAL 66 -2.713 -1.500 3.578 532 HB VAL 66 HB VAL 66 0.222 -2.218 3.774 533 HG11 VAL 66 HG11 VAL 66 0.520 -1.274 1.500 534 HG12 VAL 66 HG12 VAL 66 -0.402 -2.757 1.550 535 HG13 VAL 66 HG13 VAL 66 -1.238 -1.200 1.317 536 HG21 VAL 66 HG21 VAL 66 -1.384 0.292 3.928 537 HG22 VAL 66 HG22 VAL 66 0.025 -0.255 4.843 538 HG23 VAL 66 HG23 VAL 66 0.237 0.397 3.190 539 H GLY 67 H GLY 67 -3.532 -2.604 2.035 540 HA2 GLY 67 HA2 GLY 67 -2.998 -5.524 1.790 541 HA3 GLY 67 HA3 GLY 67 -4.390 -4.657 1.140 542 H TYR 68 H TYR 68 -2.562 -6.292 -0.320 543 HA TYR 68 HA TYR 68 -1.566 -4.339 -2.348 544 HB2 TYR 68 HB2 TYR 68 0.018 -6.126 -1.452 545 HB3 TYR 68 HB3 TYR 68 -1.065 -7.337 -2.115 546 HD1 TYR 68 HD1 TYR 68 1.367 -4.659 -2.901 547 HD2 TYR 68 HD2 TYR 68 -1.205 -7.711 -4.537 548 HE1 TYR 68 HE1 TYR 68 2.658 -4.601 -5.020 549 HE2 TYR 68 HE2 TYR 68 0.083 -7.661 -6.656 550 HH TYR 68 HH TYR 68 1.981 -5.419 -7.731 551 H TRP 69 H TRP 69 -2.676 -4.378 -4.323 552 HA TRP 69 HA TRP 69 -5.080 -6.069 -4.434 553 HB2 TRP 69 HB2 TRP 69 -5.087 -3.444 -4.435 554 HB3 TRP 69 HB3 TRP 69 -4.672 -3.597 -6.096 555 HD1 TRP 69 HD1 TRP 69 -7.288 -5.626 -4.046 556 HE1 TRP 69 HE1 TRP 69 -9.616 -5.242 -5.057 557 HE3 TRP 69 HE3 TRP 69 -6.091 -2.235 -7.705 558 HZ2 TRP 69 HZ2 TRP 69 -10.831 -3.585 -7.051 559 HZ3 TRP 69 HZ3 TRP 69 -7.859 -1.234 -9.086 560 HH2 TRP 69 HH2 TRP 69 -10.241 -1.892 -8.774 561 HA PRO 70 HA PRO 70 -2.408 -7.921 -7.716 562 HB2 PRO 70 HB2 PRO 70 -3.683 -10.403 -7.649 563 HB3 PRO 70 HB3 PRO 70 -2.212 -9.956 -6.786 564 HG2 PRO 70 HG2 PRO 70 -4.924 -10.342 -5.690 565 HG3 PRO 70 HG3 PRO 70 -3.347 -10.371 -4.858 566 HD2 PRO 70 HD2 PRO 70 -5.258 -8.250 -4.895 567 HD3 PRO 70 HD3 PRO 70 -3.704 -8.234 -4.197 568 HA PRO 71 HA PRO 71 -6.433 -8.586 -10.160 569 HB2 PRO 71 HB2 PRO 71 -8.844 -7.616 -9.328 570 HB3 PRO 71 HB3 PRO 71 -8.183 -9.182 -8.782 571 HG2 PRO 71 HG2 PRO 71 -8.110 -6.524 -7.355 572 HG3 PRO 71 HG3 PRO 71 -8.393 -8.151 -6.605 573 HD2 PRO 71 HD2 PRO 71 -6.128 -7.010 -6.447 574 HD3 PRO 71 HD3 PRO 71 -6.348 -8.791 -6.598 575 H GLY 72 H GLY 72 -5.411 -5.556 -8.766 576 HA2 GLY 72 HA2 GLY 72 -5.898 -4.309 -11.419 577 HA3 GLY 72 HA3 GLY 72 -6.325 -3.440 -9.950 578 H LYS 73 H LYS 73 -3.471 -5.275 -9.460 579 HA LYS 73 HA LYS 73 -1.280 -4.682 -9.271 580 HB2 LYS 73 HB2 LYS 73 -1.857 -3.468 -12.017 581 HB3 LYS 73 HB3 LYS 73 -0.293 -3.378 -11.242 582 HG2 LYS 73 HG2 LYS 73 0.130 -5.137 -12.436 583 HG3 LYS 73 HG3 LYS 73 -0.458 -5.982 -11.022 584 HD2 LYS 73 HD2 LYS 73 -2.116 -5.435 -13.541 585 HD3 LYS 73 HD3 LYS 73 -1.125 -6.883 -13.277 586 HE2 LYS 73 HE2 LYS 73 -2.422 -7.151 -11.068 587 HE3 LYS 73 HE3 LYS 73 -3.597 -6.017 -11.752 588 HZ1 LYS 73 HZ1 LYS 73 -2.823 -8.626 -12.952 589 HZ2 LYS 73 HZ2 LYS 73 -4.055 -7.642 -13.499 590 HZ3 LYS 73 HZ3 LYS 73 -4.131 -8.362 -12.049 591 H ALA 74 H ALA 74 -2.927 -3.251 -7.631 592 HA ALA 74 HA ALA 74 -1.403 -0.751 -7.525 593 HB1 ALA 74 HB1 ALA 74 -3.321 0.560 -6.818 594 HB2 ALA 74 HB2 ALA 74 -3.659 -0.153 -8.403 595 HB3 ALA 74 HB3 ALA 74 -4.374 -0.859 -6.927 596 H LEU 75 H LEU 75 -1.522 0.216 -5.337 597 HA LEU 75 HA LEU 75 -1.343 -1.831 -3.181 598 HB2 LEU 75 HB2 LEU 75 0.371 0.260 -3.641 599 HB3 LEU 75 HB3 LEU 75 -0.855 1.125 -2.716 600 HG LEU 75 HG LEU 75 -0.647 -0.807 -0.991 601 HD11 LEU 75 HD11 LEU 75 1.436 -2.043 -0.994 602 HD12 LEU 75 HD12 LEU 75 1.971 -1.247 -2.482 603 HD13 LEU 75 HD13 LEU 75 0.603 -2.375 -2.522 604 HD21 LEU 75 HD21 LEU 75 1.281 0.207 0.109 605 HD22 LEU 75 HD22 LEU 75 0.275 1.467 -0.633 606 HD23 LEU 75 HD23 LEU 75 1.789 0.931 -1.409 607 H CYS 76 H CYS 76 -2.427 -0.869 -0.979 608 HA CYS 76 HA CYS 76 -4.557 1.083 -1.368 609 HB2 CYS 76 HB2 CYS 76 -5.051 -1.777 -0.508 610 HB3 CYS 76 HB3 CYS 76 -6.101 -0.487 0.005 611 HG CYS 76 HG CYS 76 -5.459 -0.154 -3.098 612 H LEU 77 H LEU 77 -3.953 2.474 0.119 613 HA LEU 77 HA LEU 77 -2.755 1.663 2.717 614 HB2 LEU 77 HB2 LEU 77 -3.159 4.300 1.247 615 HB3 LEU 77 HB3 LEU 77 -2.653 4.221 2.922 616 HG LEU 77 HG LEU 77 -1.054 2.674 0.891 617 HD11 LEU 77 HD11 LEU 77 -0.834 5.677 1.324 618 HD12 LEU 77 HD12 LEU 77 -1.240 4.824 -0.189 619 HD13 LEU 77 HD13 LEU 77 0.386 4.669 0.510 620 HD21 LEU 77 HD21 LEU 77 -0.223 4.270 3.349 621 HD22 LEU 77 HD22 LEU 77 0.767 3.120 2.424 622 HD23 LEU 77 HD23 LEU 77 -0.630 2.550 3.362 623 H PHE 78 H PHE 78 -4.425 0.990 4.065 624 HA PHE 78 HA PHE 78 -7.009 2.359 3.975 625 HB2 PHE 78 HB2 PHE 78 -5.919 0.248 5.916 626 HB3 PHE 78 HB3 PHE 78 -7.576 0.833 5.871 627 HD1 PHE 78 HD1 PHE 78 -9.017 0.377 3.843 628 HD2 PHE 78 HD2 PHE 78 -5.148 -1.446 4.367 629 HE1 PHE 78 HE1 PHE 78 -9.434 -1.070 1.888 630 HE2 PHE 78 HE2 PHE 78 -5.611 -2.947 2.437 631 HZ PHE 78 HZ PHE 78 -7.673 -2.646 1.120 632 H PHE 79 H PHE 79 -7.543 4.020 5.318 633 HA PHE 79 HA PHE 79 -6.184 4.388 7.871 634 HB2 PHE 79 HB2 PHE 79 -5.507 6.712 7.443 635 HB3 PHE 79 HB3 PHE 79 -4.620 5.520 6.533 636 HD1 PHE 79 HD1 PHE 79 -4.839 5.301 4.139 637 HD2 PHE 79 HD2 PHE 79 -7.137 8.206 6.278 638 HE1 PHE 79 HE1 PHE 79 -5.254 6.503 2.023 639 HE2 PHE 79 HE2 PHE 79 -7.706 9.356 4.125 640 HZ PHE 79 HZ PHE 79 -6.788 8.497 2.004 641 H GLY 80 H GLY 80 -8.907 3.828 6.646 642 HA2 GLY 80 HA2 GLY 80 -10.463 5.398 8.456 643 HA3 GLY 80 HA3 GLY 80 -10.666 5.875 6.786 644 H LYS 81 H LYS 81 -12.728 5.017 6.385 645 HA LYS 81 HA LYS 81 -12.721 2.057 6.174 646 HB2 LYS 81 HB2 LYS 81 -13.748 2.754 8.326 647 HB3 LYS 81 HB3 LYS 81 -14.958 3.672 7.449 648 HG2 LYS 81 HG2 LYS 81 -14.677 0.770 6.654 649 HG3 LYS 81 HG3 LYS 81 -15.171 1.078 8.325 650 HD2 LYS 81 HD2 LYS 81 -16.909 2.660 7.375 651 HD3 LYS 81 HD3 LYS 81 -16.599 1.937 5.793 652 HE2 LYS 81 HE2 LYS 81 -18.529 0.868 6.793 653 HE3 LYS 81 HE3 LYS 81 -17.212 -0.306 6.800 654 HZ1 LYS 81 HZ1 LYS 81 -18.016 1.385 9.086 655 HZ2 LYS 81 HZ2 LYS 81 -16.874 0.163 9.134 656 HZ3 LYS 81 HZ3 LYS 81 -18.474 -0.161 8.890 657 H THR 82 H THR 82 -12.712 1.824 4.029 658 HA THR 82 HA THR 82 -13.676 3.613 2.104 659 HB THR 82 HB THR 82 -13.417 1.314 0.764 660 HG1 THR 82 HG1 THR 82 -11.998 -0.073 1.954 661 HG21 THR 82 HG21 THR 82 -10.936 1.585 0.811 662 HG22 THR 82 HG22 THR 82 -11.093 2.690 2.191 663 HG23 THR 82 HG23 THR 82 -11.779 3.119 0.612 664 HA PRO 83 HA PRO 83 -18.010 2.618 1.861 665 HB2 PRO 83 HB2 PRO 83 -18.577 2.974 -0.797 666 HB3 PRO 83 HB3 PRO 83 -18.131 4.311 0.304 667 HG2 PRO 83 HG2 PRO 83 -16.312 2.786 -1.594 668 HG3 PRO 83 HG3 PRO 83 -16.481 4.562 -1.417 669 HD2 PRO 83 HD2 PRO 83 -14.510 3.167 -0.181 670 HD3 PRO 83 HD3 PRO 83 -15.312 4.552 0.628 671 H MET 84 H MET 84 -15.709 0.494 0.643 672 HA MET 84 HA MET 84 -17.428 -1.360 -0.726 673 HB2 MET 84 HB2 MET 84 -14.755 -0.920 -0.680 674 HB3 MET 84 HB3 MET 84 -14.825 -2.228 0.501 675 HG2 MET 84 HG2 MET 84 -14.425 -3.085 -1.683 676 HG3 MET 84 HG3 MET 84 -16.033 -3.629 -1.208 677 HE1 MET 84 HE1 MET 84 -18.236 -2.357 -3.967 678 HE2 MET 84 HE2 MET 84 -17.556 -3.885 -3.379 679 HE3 MET 84 HE3 MET 84 -18.227 -2.710 -2.224 680 H SER 85 H SER 85 -17.235 -0.564 2.563 681 HA SER 85 HA SER 85 -18.496 -3.130 3.273 682 HB2 SER 85 HB2 SER 85 -16.018 -2.933 4.064 683 HB3 SER 85 HB3 SER 85 -16.673 -1.739 5.191 684 HG SER 85 HG SER 85 -17.469 -4.489 4.861 685 H ASP 86 H ASP 86 -19.209 -2.720 5.686 686 HA ASP 86 HA ASP 86 -20.361 -0.081 6.083 687 HB2 ASP 86 HB2 ASP 86 -21.971 -1.549 4.658 688 HB3 ASP 86 HB3 ASP 86 -22.218 -2.467 6.143 689 H ASP 87 H ASP 87 -20.157 -3.512 7.202 690 HA ASP 87 HA ASP 87 -20.473 -2.844 9.978 691 HB2 ASP 87 HB2 ASP 87 -18.877 -5.161 8.830 692 HB3 ASP 87 HB3 ASP 87 -19.403 -5.020 10.493 693 H LYS 88 H LYS 88 -17.660 -3.496 7.944 694 HA LYS 88 HA LYS 88 -15.759 -2.801 10.114 695 HB2 LYS 88 HB2 LYS 88 -14.691 -4.957 9.746 696 HB3 LYS 88 HB3 LYS 88 -16.393 -5.204 10.101 697 HG2 LYS 88 HG2 LYS 88 -16.668 -5.258 7.458 698 HG3 LYS 88 HG3 LYS 88 -14.924 -5.506 7.493 699 HD2 LYS 88 HD2 LYS 88 -15.748 -7.689 7.353 700 HD3 LYS 88 HD3 LYS 88 -15.440 -7.505 9.076 701 HE2 LYS 88 HE2 LYS 88 -17.561 -8.554 8.939 702 HE3 LYS 88 HE3 LYS 88 -17.900 -6.886 9.352 703 HZ1 LYS 88 HZ1 LYS 88 -18.228 -6.665 6.768 704 HZ2 LYS 88 HZ2 LYS 88 -19.394 -7.325 7.688 705 HZ3 LYS 88 HZ3 LYS 88 -18.404 -8.296 6.821 706 H ILE 89 H ILE 89 -13.331 -3.345 8.638 707 HA ILE 89 HA ILE 89 -13.668 -1.583 6.263 708 HB ILE 89 HB ILE 89 -11.272 -2.125 8.029 709 HG12 ILE 89 HG12 ILE 89 -12.463 0.585 7.795 710 HG13 ILE 89 HG13 ILE 89 -13.528 -0.517 8.592 711 HG21 ILE 89 HG21 ILE 89 -10.531 -1.554 5.740 712 HG22 ILE 89 HG22 ILE 89 -11.644 -0.178 5.690 713 HG23 ILE 89 HG23 ILE 89 -10.267 -0.176 6.810 714 HD11 ILE 89 HD11 ILE 89 -11.917 -1.035 10.280 715 HD12 ILE 89 HD12 ILE 89 -10.678 -0.093 9.421 716 HD13 ILE 89 HD13 ILE 89 -12.117 0.735 10.113 717 H GLN 90 H GLN 90 -14.556 -3.504 5.171 718 HA GLN 90 HA GLN 90 -12.641 -5.492 4.352 719 HB2 GLN 90 HB2 GLN 90 -15.280 -4.698 3.054 720 HB3 GLN 90 HB3 GLN 90 -14.327 -6.115 2.657 721 HG2 GLN 90 HG2 GLN 90 -14.571 -6.966 4.986 722 HG3 GLN 90 HG3 GLN 90 -15.435 -5.500 5.409 723 HE21 GLN 90 HE21 GLN 90 -15.669 -8.541 3.596 724 HE22 GLN 90 HE22 GLN 90 -17.415 -8.547 3.524 725 HA PRO 91 HA PRO 91 -10.773 -2.939 1.018 726 HB2 PRO 91 HB2 PRO 91 -9.485 -5.008 -0.272 727 HB3 PRO 91 HB3 PRO 91 -8.900 -4.318 1.283 728 HG2 PRO 91 HG2 PRO 91 -10.670 -6.750 0.953 729 HG3 PRO 91 HG3 PRO 91 -9.147 -6.619 1.889 730 HD2 PRO 91 HD2 PRO 91 -11.476 -6.391 3.002 731 HD3 PRO 91 HD3 PRO 91 -10.225 -5.226 3.493 732 H ALA 92 H ALA 92 -10.418 -3.313 -1.474 733 HA ALA 92 HA ALA 92 -12.945 -3.688 -2.746 734 HB1 ALA 92 HB1 ALA 92 -11.287 -1.982 -3.467 735 HB2 ALA 92 HB2 ALA 92 -10.198 -3.270 -3.959 736 HB3 ALA 92 HB3 ALA 92 -11.758 -3.061 -4.781 737 H SER 93 H SER 93 -10.615 -6.058 -1.914 738 HA SER 93 HA SER 93 -12.121 -8.105 -3.062 739 HB2 SER 93 HB2 SER 93 -10.357 -7.061 -4.984 740 HB3 SER 93 HB3 SER 93 -9.411 -8.361 -4.300 741 HG SER 93 HG SER 93 -12.080 -8.553 -5.250 742 H ALA 94 H ALA 94 -10.358 -10.152 -2.948 743 HA ALA 94 HA ALA 94 -9.380 -10.271 -0.200 744 HB1 ALA 94 HB1 ALA 94 -10.011 -12.327 -1.341 745 HB2 ALA 94 HB2 ALA 94 -8.779 -12.052 -2.597 746 HB3 ALA 94 HB3 ALA 94 -8.291 -12.378 -0.922 747 H VAL 95 H VAL 95 -7.959 -8.586 0.212 748 HA VAL 95 HA VAL 95 -5.529 -8.310 -1.474 749 HB VAL 95 HB VAL 95 -4.981 -6.403 -0.141 750 HG11 VAL 95 HG11 VAL 95 -7.868 -6.346 -1.076 751 HG12 VAL 95 HG12 VAL 95 -6.910 -4.930 -0.646 752 HG13 VAL 95 HG13 VAL 95 -6.405 -5.967 -1.993 753 HG21 VAL 95 HG21 VAL 95 -5.534 -6.822 2.064 754 HG22 VAL 95 HG22 VAL 95 -6.713 -5.586 1.622 755 HG23 VAL 95 HG23 VAL 95 -7.181 -7.308 1.698 756 H ASN 96 H ASN 96 -3.462 -8.096 0.000 757 HA ASN 96 HA ASN 96 -3.401 -10.384 1.917 758 HB2 ASN 96 HB2 ASN 96 -2.523 -10.951 -0.360 759 HB3 ASN 96 HB3 ASN 96 -1.347 -9.636 -0.198 760 HD21 ASN 96 HD21 ASN 96 0.196 -11.387 -0.547 761 HD22 ASN 96 HD22 ASN 96 0.796 -12.192 0.921 762 H VAL 97 H VAL 97 -2.533 -9.740 3.852 763 HA VAL 97 HA VAL 97 -1.943 -6.904 4.093 764 HB VAL 97 HB VAL 97 -2.055 -8.937 6.366 765 HG11 VAL 97 HG11 VAL 97 -2.777 -6.925 7.665 766 HG12 VAL 97 HG12 VAL 97 -1.174 -6.682 6.969 767 HG13 VAL 97 HG13 VAL 97 -2.577 -5.939 6.196 768 HG21 VAL 97 HG21 VAL 97 -4.345 -7.406 5.065 769 HG22 VAL 97 HG22 VAL 97 -4.135 -9.170 5.121 770 HG23 VAL 97 HG23 VAL 97 -4.440 -8.272 6.614 771 H ILE 98 H ILE 98 0.010 -7.651 2.661 772 HA ILE 98 HA ILE 98 2.339 -8.677 4.113 773 HB ILE 98 HB ILE 98 3.506 -8.450 1.997 774 HG12 ILE 98 HG12 ILE 98 1.052 -6.868 1.099 775 HG13 ILE 98 HG13 ILE 98 2.742 -6.350 1.122 776 HG21 ILE 98 HG21 ILE 98 0.725 -9.400 1.330 777 HG22 ILE 98 HG22 ILE 98 2.276 -10.063 0.764 778 HG23 ILE 98 HG23 ILE 98 1.760 -10.311 2.440 779 HD11 ILE 98 HD11 ILE 98 3.171 -8.167 -0.627 780 HD12 ILE 98 HD12 ILE 98 1.406 -8.319 -0.762 781 HD13 ILE 98 HD13 ILE 98 2.179 -6.783 -1.148 782 H GLY 99 H GLY 99 0.859 -5.557 3.799 783 HA2 GLY 99 HA2 GLY 99 3.442 -4.274 4.513 784 HA3 GLY 99 HA3 GLY 99 2.182 -3.561 3.507 785 H LYS 100 H LYS 100 3.266 -2.602 6.036 786 HA LYS 100 HA LYS 100 0.674 -2.319 7.483 787 HB2 LYS 100 HB2 LYS 100 2.385 -3.928 8.599 788 HB3 LYS 100 HB3 LYS 100 3.419 -2.538 8.856 789 HG2 LYS 100 HG2 LYS 100 2.306 -2.519 10.834 790 HG3 LYS 100 HG3 LYS 100 1.295 -1.415 9.939 791 HD2 LYS 100 HD2 LYS 100 -0.184 -3.335 9.328 792 HD3 LYS 100 HD3 LYS 100 0.902 -4.435 10.144 793 HE2 LYS 100 HE2 LYS 100 0.426 -3.190 12.312 794 HE3 LYS 100 HE3 LYS 100 -0.881 -2.317 11.457 795 HZ1 LYS 100 HZ1 LYS 100 -0.689 -5.266 11.674 796 HZ2 LYS 100 HZ2 LYS 100 -1.951 -4.372 11.058 797 HZ3 LYS 100 HZ3 LYS 100 -1.599 -4.314 12.665 798 H ILE 101 H ILE 101 0.301 -0.150 8.216 799 HA ILE 101 HA ILE 101 2.139 1.851 7.189 800 HB ILE 101 HB ILE 101 -0.597 2.014 8.542 801 HG12 ILE 101 HG12 ILE 101 0.189 2.582 5.649 802 HG13 ILE 101 HG13 ILE 101 -0.591 1.122 6.281 803 HG21 ILE 101 HG21 ILE 101 0.378 4.046 9.205 804 HG22 ILE 101 HG22 ILE 101 1.315 4.243 7.727 805 HG23 ILE 101 HG23 ILE 101 -0.424 4.527 7.727 806 HD11 ILE 101 HD11 ILE 101 -2.286 2.398 5.281 807 HD12 ILE 101 HD12 ILE 101 -2.514 2.367 7.018 808 HD13 ILE 101 HD13 ILE 101 -1.895 3.816 6.227 809 H VAL 102 H VAL 102 3.791 1.601 8.171 810 HA VAL 102 HA VAL 102 3.911 1.247 10.992 811 HB VAL 102 HB VAL 102 5.214 0.418 8.800 812 HG11 VAL 102 HG11 VAL 102 6.303 2.441 8.190 813 HG12 VAL 102 HG12 VAL 102 7.239 2.420 9.704 814 HG13 VAL 102 HG13 VAL 102 7.408 1.064 8.520 815 HG21 VAL 102 HG21 VAL 102 6.153 0.423 11.604 816 HG22 VAL 102 HG22 VAL 102 5.071 -0.681 10.710 817 HG23 VAL 102 HG23 VAL 102 6.765 -0.661 10.304 818 H GLU 103 H GLU 103 4.361 4.005 8.886 819 HA GLU 103 HA GLU 103 4.232 5.819 11.142 820 HB2 GLU 103 HB2 GLU 103 6.589 5.423 9.409 821 HB3 GLU 103 HB3 GLU 103 6.085 7.105 9.480 822 HG2 GLU 103 HG2 GLU 103 6.400 5.642 12.059 823 HG3 GLU 103 HG3 GLU 103 7.822 5.878 11.136 824 H GLY 104 H GLY 104 3.567 7.999 10.399 825 HA2 GLY 104 HA2 GLY 104 2.781 9.538 8.920 826 HA3 GLY 104 HA3 GLY 104 3.146 8.448 7.584 827 H LEU 105 H LEU 105 0.911 7.188 10.032 828 HA LEU 105 HA LEU 105 -1.118 6.731 8.116 829 HB2 LEU 105 HB2 LEU 105 -0.943 5.606 10.364 830 HB3 LEU 105 HB3 LEU 105 -1.474 7.113 11.112 831 HG LEU 105 HG LEU 105 -3.601 6.881 9.589 832 HD11 LEU 105 HD11 LEU 105 -2.673 5.036 8.143 833 HD12 LEU 105 HD12 LEU 105 -4.164 4.603 8.952 834 HD13 LEU 105 HD13 LEU 105 -2.650 3.968 9.578 835 HD21 LEU 105 HD21 LEU 105 -4.647 5.365 11.236 836 HD22 LEU 105 HD22 LEU 105 -3.651 6.616 12.000 837 HD23 LEU 105 HD23 LEU 105 -3.037 4.945 11.858 838 H GLU 106 H GLU 106 -0.858 9.468 10.502 839 HA GLU 106 HA GLU 106 -3.392 10.567 9.715 840 HB2 GLU 106 HB2 GLU 106 -1.037 12.056 10.941 841 HB3 GLU 106 HB3 GLU 106 -2.717 12.545 10.878 842 HG2 GLU 106 HG2 GLU 106 -3.272 10.584 12.384 843 HG3 GLU 106 HG3 GLU 106 -1.527 10.355 12.592 844 H ASP 107 H ASP 107 -0.157 10.757 8.400 845 HA ASP 107 HA ASP 107 -0.477 13.218 6.937 846 HB2 ASP 107 HB2 ASP 107 1.622 11.060 7.043 847 HB3 ASP 107 HB3 ASP 107 1.581 12.107 5.641 848 H LEU 108 H LEU 108 -1.902 10.200 6.451 849 HA LEU 108 HA LEU 108 -1.837 10.257 3.538 850 HB2 LEU 108 HB2 LEU 108 -3.556 8.649 5.480 851 HB3 LEU 108 HB3 LEU 108 -3.429 8.378 3.749 852 HG LEU 108 HG LEU 108 -1.189 8.099 5.793 853 HD11 LEU 108 HD11 LEU 108 -1.176 5.744 5.098 854 HD12 LEU 108 HD12 LEU 108 -2.577 6.071 4.045 855 HD13 LEU 108 HD13 LEU 108 -2.712 6.241 5.809 856 HD21 LEU 108 HD21 LEU 108 -0.126 8.962 3.821 857 HD22 LEU 108 HD22 LEU 108 -1.066 7.873 2.763 858 HD23 LEU 108 HD23 LEU 108 0.149 7.220 3.876 859 H LYS 109 H LYS 109 -4.322 11.128 6.013 860 HA LYS 109 HA LYS 109 -6.400 11.637 4.215 861 HB2 LYS 109 HB2 LYS 109 -5.703 12.979 6.829 862 HB3 LYS 109 HB3 LYS 109 -7.224 13.213 5.962 863 HG2 LYS 109 HG2 LYS 109 -6.974 10.419 6.105 864 HG3 LYS 109 HG3 LYS 109 -6.329 10.988 7.643 865 HD2 LYS 109 HD2 LYS 109 -8.542 12.453 7.619 866 HD3 LYS 109 HD3 LYS 109 -9.135 11.222 6.504 867 HE2 LYS 109 HE2 LYS 109 -7.816 10.555 9.151 868 HE3 LYS 109 HE3 LYS 109 -9.537 11.019 9.095 869 HZ1 LYS 109 HZ1 LYS 109 -9.806 9.069 7.503 870 HZ2 LYS 109 HZ2 LYS 109 -9.474 8.721 9.071 871 HZ3 LYS 109 HZ3 LYS 109 -8.287 8.591 7.996 872 H LYS 110 H LYS 110 -3.515 13.510 4.672 873 HA LYS 110 HA LYS 110 -4.683 15.978 3.603 874 HB2 LYS 110 HB2 LYS 110 -2.623 17.024 4.333 875 HB3 LYS 110 HB3 LYS 110 -3.382 16.138 5.622 876 HG2 LYS 110 HG2 LYS 110 -1.788 14.313 5.393 877 HG3 LYS 110 HG3 LYS 110 -1.007 15.091 4.022 878 HD2 LYS 110 HD2 LYS 110 -1.132 16.821 6.444 879 HD3 LYS 110 HD3 LYS 110 -0.294 15.299 6.722 880 HE2 LYS 110 HE2 LYS 110 1.041 15.813 4.575 881 HE3 LYS 110 HE3 LYS 110 0.432 17.457 4.724 882 HZ1 LYS 110 HZ1 LYS 110 2.566 17.257 5.824 883 HZ2 LYS 110 HZ2 LYS 110 2.048 15.949 6.686 884 HZ3 LYS 110 HZ3 LYS 110 1.444 17.450 7.004 885 H ILE 111 H ILE 111 -4.027 13.409 1.835 886 HA ILE 111 HA ILE 111 -2.305 14.858 -0.128 887 HB ILE 111 HB ILE 111 -2.760 11.871 -0.049 888 HG12 ILE 111 HG12 ILE 111 -1.714 12.398 2.115 889 HG13 ILE 111 HG13 ILE 111 -0.680 11.453 1.066 890 HG21 ILE 111 HG21 ILE 111 -1.888 12.722 -2.158 891 HG22 ILE 111 HG22 ILE 111 -0.596 13.608 -1.336 892 HG23 ILE 111 HG23 ILE 111 -0.606 11.834 -1.320 893 HD11 ILE 111 HD11 ILE 111 0.564 13.172 2.309 894 HD12 ILE 111 HD12 ILE 111 0.695 13.451 0.565 895 HD13 ILE 111 HD13 ILE 111 -0.406 14.458 1.560 896 H LYS 112 H LYS 112 -2.934 14.829 -2.321 897 HA LYS 112 HA LYS 112 -5.823 14.844 -2.784 898 HB2 LYS 112 HB2 LYS 112 -3.570 15.479 -4.673 899 HB3 LYS 112 HB3 LYS 112 -5.241 15.851 -4.953 900 HG2 LYS 112 HG2 LYS 112 -3.813 17.020 -2.556 901 HG3 LYS 112 HG3 LYS 112 -3.665 17.732 -4.161 902 HD2 LYS 112 HD2 LYS 112 -5.928 18.323 -4.311 903 HD3 LYS 112 HD3 LYS 112 -6.412 17.193 -3.030 904 HE2 LYS 112 HE2 LYS 112 -6.415 19.581 -2.316 905 HE3 LYS 112 HE3 LYS 112 -5.438 18.466 -1.356 906 HZ1 LYS 112 HZ1 LYS 112 -4.289 20.202 -3.473 907 HZ2 LYS 112 HZ2 LYS 112 -3.446 19.360 -2.385 908 HZ3 LYS 112 HZ3 LYS 112 -4.321 20.638 -1.884 909 H ASP 113 H ASP 113 -6.529 14.058 -4.942 910 HA ASP 113 HA ASP 113 -5.910 11.370 -5.805 911 HB2 ASP 113 HB2 ASP 113 -8.150 12.711 -5.820 912 HB3 ASP 113 HB3 ASP 113 -7.517 13.506 -7.259 913 H GLY 114 H GLY 114 -3.549 12.775 -5.983 914 HA2 GLY 114 HA2 GLY 114 -2.476 12.017 -8.305 915 HA3 GLY 114 HA3 GLY 114 -3.095 13.587 -8.823 916 H GLU 115 H GLU 115 -1.897 13.648 -5.572 917 HA GLU 115 HA GLU 115 0.153 15.520 -6.401 918 HB2 GLU 115 HB2 GLU 115 -0.977 14.496 -3.824 919 HB3 GLU 115 HB3 GLU 115 0.556 15.303 -3.714 920 HG2 GLU 115 HG2 GLU 115 -1.816 16.527 -5.153 921 HG3 GLU 115 HG3 GLU 115 -1.513 16.709 -3.440 922 H LYS 116 H LYS 116 0.546 12.774 -7.271 923 HA LYS 116 HA LYS 116 2.201 11.385 -7.804 924 HB2 LYS 116 HB2 LYS 116 2.940 14.043 -7.945 925 HB3 LYS 116 HB3 LYS 116 4.294 13.395 -7.064 926 HG2 LYS 116 HG2 LYS 116 3.344 11.931 -9.531 927 HG3 LYS 116 HG3 LYS 116 4.061 13.516 -9.780 928 HD2 LYS 116 HD2 LYS 116 6.167 12.837 -9.236 929 HD3 LYS 116 HD3 LYS 116 5.579 11.784 -7.943 930 HE2 LYS 116 HE2 LYS 116 6.626 10.489 -9.655 931 HE3 LYS 116 HE3 LYS 116 4.905 10.083 -9.449 932 HZ1 LYS 116 HZ1 LYS 116 4.421 11.234 -11.469 933 HZ2 LYS 116 HZ2 LYS 116 5.624 10.160 -11.762 934 HZ3 LYS 116 HZ3 LYS 116 5.979 11.755 -11.647 935 H VAL 117 H VAL 117 3.891 9.911 -7.149 936 HA VAL 117 HA VAL 117 4.730 10.213 -4.308 937 HB VAL 117 HB VAL 117 2.948 8.639 -4.154 938 HG11 VAL 117 HG11 VAL 117 3.158 6.362 -5.429 939 HG12 VAL 117 HG12 VAL 117 2.458 7.778 -6.219 940 HG13 VAL 117 HG13 VAL 117 4.138 7.282 -6.564 941 HG21 VAL 117 HG21 VAL 117 5.600 7.164 -4.004 942 HG22 VAL 117 HG22 VAL 117 4.819 8.183 -2.755 943 HG23 VAL 117 HG23 VAL 117 4.142 6.627 -3.240 944 H ALA 118 H ALA 118 6.830 9.529 -3.891 945 HA ALA 118 HA ALA 118 8.381 8.072 -5.975 946 HB1 ALA 118 HB1 ALA 118 9.455 10.231 -5.697 947 HB2 ALA 118 HB2 ALA 118 9.214 10.186 -3.940 948 HB3 ALA 118 HB3 ALA 118 10.376 9.086 -4.712 949 H VAL 119 H VAL 119 8.362 6.034 -5.313 950 HA VAL 119 HA VAL 119 7.960 5.166 -2.536 951 HB VAL 119 HB VAL 119 8.210 3.628 -5.190 952 HG11 VAL 119 HG11 VAL 119 7.026 1.848 -3.921 953 HG12 VAL 119 HG12 VAL 119 8.680 2.187 -3.417 954 HG13 VAL 119 HG13 VAL 119 7.291 2.792 -2.448 955 HG21 VAL 119 HG21 VAL 119 5.646 3.411 -4.895 956 HG22 VAL 119 HG22 VAL 119 5.788 4.863 -3.892 957 HG23 VAL 119 HG23 VAL 119 6.297 4.897 -5.584 958 H ARG 120 H ARG 120 9.837 4.628 -1.318 959 HA ARG 120 HA ARG 120 12.201 3.554 -2.772 960 HB2 ARG 120 HB2 ARG 120 12.615 5.572 -0.609 961 HB3 ARG 120 HB3 ARG 120 13.740 4.937 -1.798 962 HG2 ARG 120 HG2 ARG 120 12.388 6.196 -3.559 963 HG3 ARG 120 HG3 ARG 120 11.478 6.940 -2.224 964 HD2 ARG 120 HD2 ARG 120 13.504 7.858 -1.276 965 HD3 ARG 120 HD3 ARG 120 14.501 6.958 -2.459 966 HE ARG 120 HE ARG 120 12.740 8.493 -3.964 967 HH11 ARG 120 HH11 ARG 120 15.577 8.877 -1.903 968 HH12 ARG 120 HH12 ARG 120 15.944 10.481 -2.413 969 HH21 ARG 120 HH21 ARG 120 12.818 10.787 -4.073 970 HH22 ARG 120 HH22 ARG 120 14.195 11.663 -3.586 971 H PHE 121 H PHE 121 13.904 2.873 -0.720 972 HA PHE 121 HA PHE 121 12.308 0.866 0.686 973 HB2 PHE 121 HB2 PHE 121 15.273 1.490 0.463 974 HB3 PHE 121 HB3 PHE 121 14.692 0.268 1.569 975 HD1 PHE 121 HD1 PHE 121 12.684 -1.152 0.344 976 HD2 PHE 121 HD2 PHE 121 16.161 0.542 -1.373 977 HE1 PHE 121 HE1 PHE 121 12.649 -2.972 -1.411 978 HE2 PHE 121 HE2 PHE 121 16.222 -1.361 -3.145 979 HZ PHE 121 HZ PHE 121 14.438 -3.033 -3.144 980 H ALA 122 H ALA 122 13.393 3.722 1.438 981 HA ALA 122 HA ALA 122 13.383 5.187 3.333 982 HB1 ALA 122 HB1 ALA 122 12.232 4.708 5.329 983 HB2 ALA 122 HB2 ALA 122 11.273 3.977 4.020 984 HB3 ALA 122 HB3 ALA 122 12.296 2.963 5.045 985 H SER 123 H SER 123 15.472 5.634 3.868 986 HA SER 123 HA SER 123 17.176 3.418 4.876 987 HB2 SER 123 HB2 SER 123 19.022 4.887 4.498 988 HB3 SER 123 HB3 SER 123 18.109 4.648 3.019 989 HG SER 123 HG SER 123 17.417 6.764 3.118 990 H SER 124 H SER 124 15.311 5.815 6.109 991 HA SER 124 HA SER 124 16.823 7.065 8.099 992 HB2 SER 124 HB2 SER 124 13.840 6.638 7.846 993 HB3 SER 124 HB3 SER 124 14.581 7.841 8.868 994 HG SER 124 HG SER 124 13.869 8.575 6.691 Start of MODEL 4 1 H1 MET 1 H1 MET 1 11.626 -6.201 5.083 2 HA MET 1 HA MET 1 12.714 -4.357 4.097 3 HB2 MET 1 HB2 MET 1 11.915 -5.919 2.363 4 HB3 MET 1 HB3 MET 1 10.379 -5.069 2.260 5 HG2 MET 1 HG2 MET 1 11.406 -3.161 1.290 6 HG3 MET 1 HG3 MET 1 12.980 -3.564 1.950 7 HE1 MET 1 HE1 MET 1 10.281 -5.267 -0.485 8 HE2 MET 1 HE2 MET 1 10.710 -3.642 -1.072 9 HE3 MET 1 HE3 MET 1 11.191 -5.082 -1.996 10 H ARG 2 H ARG 2 12.693 -2.346 4.884 11 HA ARG 2 HA ARG 2 10.255 -0.831 5.276 12 HB2 ARG 2 HB2 ARG 2 13.229 -0.349 5.458 13 HB3 ARG 2 HB3 ARG 2 12.235 1.063 5.221 14 HG2 ARG 2 HG2 ARG 2 11.411 -0.933 7.252 15 HG3 ARG 2 HG3 ARG 2 12.718 0.211 7.654 16 HD2 ARG 2 HD2 ARG 2 10.766 1.890 6.674 17 HD3 ARG 2 HD3 ARG 2 9.763 0.614 7.374 18 HE ARG 2 HE ARG 2 11.262 2.651 8.694 19 HH11 ARG 2 HH11 ARG 2 10.341 -0.827 9.238 20 HH12 ARG 2 HH12 ARG 2 10.624 -0.677 10.941 21 HH21 ARG 2 HH21 ARG 2 11.429 2.733 11.030 22 HH22 ARG 2 HH22 ARG 2 11.069 1.306 11.936 23 H VAL 3 H VAL 3 9.595 0.873 4.239 24 HA VAL 3 HA VAL 3 10.709 1.829 1.748 25 HB VAL 3 HB VAL 3 8.023 0.392 1.796 26 HG11 VAL 3 HG11 VAL 3 8.982 2.080 -0.538 27 HG12 VAL 3 HG12 VAL 3 7.510 1.099 -0.448 28 HG13 VAL 3 HG13 VAL 3 7.666 2.519 0.567 29 HG21 VAL 3 HG21 VAL 3 9.657 -1.198 1.215 30 HG22 VAL 3 HG22 VAL 3 9.035 -0.676 -0.354 31 HG23 VAL 3 HG23 VAL 3 10.586 -0.048 0.210 32 H GLU 4 H GLU 4 9.984 4.029 1.317 33 HA GLU 4 HA GLU 4 8.058 5.233 3.205 34 HB2 GLU 4 HB2 GLU 4 10.119 5.723 4.085 35 HB3 GLU 4 HB3 GLU 4 10.891 6.008 2.503 36 HG2 GLU 4 HG2 GLU 4 9.795 8.137 2.331 37 HG3 GLU 4 HG3 GLU 4 8.778 7.776 3.730 38 H LEU 5 H LEU 5 6.764 6.728 2.331 39 HA LEU 5 HA LEU 5 6.584 6.838 -0.648 40 HB2 LEU 5 HB2 LEU 5 4.450 7.061 1.539 41 HB3 LEU 5 HB3 LEU 5 4.159 7.177 -0.168 42 HG LEU 5 HG LEU 5 4.850 4.729 1.470 43 HD11 LEU 5 HD11 LEU 5 2.467 5.463 1.242 44 HD12 LEU 5 HD12 LEU 5 2.748 3.879 0.512 45 HD13 LEU 5 HD13 LEU 5 2.602 5.322 -0.515 46 HD21 LEU 5 HD21 LEU 5 4.829 4.876 -1.564 47 HD22 LEU 5 HD22 LEU 5 4.903 3.384 -0.601 48 HD23 LEU 5 HD23 LEU 5 6.246 4.524 -0.541 49 H LEU 6 H LEU 6 7.558 8.774 -1.159 50 HA LEU 6 HA LEU 6 7.075 11.108 0.613 51 HB2 LEU 6 HB2 LEU 6 9.330 10.093 -0.915 52 HB3 LEU 6 HB3 LEU 6 8.939 11.693 -1.488 53 HG LEU 6 HG LEU 6 9.171 11.118 1.488 54 HD11 LEU 6 HD11 LEU 6 11.392 12.055 -0.371 55 HD12 LEU 6 HD12 LEU 6 11.301 10.474 0.433 56 HD13 LEU 6 HD13 LEU 6 11.482 11.941 1.406 57 HD21 LEU 6 HD21 LEU 6 9.520 13.537 1.659 58 HD22 LEU 6 HD22 LEU 6 8.039 13.254 0.744 59 HD23 LEU 6 HD23 LEU 6 9.515 13.701 -0.115 60 H PHE 7 H PHE 7 5.288 12.207 0.032 61 HA PHE 7 HA PHE 7 4.372 12.258 -2.789 62 HB2 PHE 7 HB2 PHE 7 3.087 13.486 -0.341 63 HB3 PHE 7 HB3 PHE 7 2.336 13.172 -1.888 64 HD1 PHE 7 HD1 PHE 7 3.416 11.749 1.320 65 HD2 PHE 7 HD2 PHE 7 1.596 10.887 -2.463 66 HE1 PHE 7 HE1 PHE 7 2.541 9.661 2.291 67 HE2 PHE 7 HE2 PHE 7 0.682 8.813 -1.569 68 HZ PHE 7 HZ PHE 7 1.161 8.128 0.818 69 H GLU 8 H GLU 8 3.635 14.550 -3.497 70 HA GLU 8 HA GLU 8 5.648 16.551 -3.038 71 HB2 GLU 8 HB2 GLU 8 2.811 17.125 -3.930 72 HB3 GLU 8 HB3 GLU 8 4.249 18.087 -4.208 73 HG2 GLU 8 HG2 GLU 8 4.728 15.477 -5.367 74 HG3 GLU 8 HG3 GLU 8 3.113 15.985 -5.826 75 H SER 9 H SER 9 2.470 15.865 -1.558 76 HA SER 9 HA SER 9 2.476 18.285 0.050 77 HB2 SER 9 HB2 SER 9 0.601 15.970 -0.422 78 HB3 SER 9 HB3 SER 9 0.407 16.879 1.070 79 HG SER 9 HG SER 9 0.277 17.895 -1.582 80 H GLY 10 H GLY 10 3.988 15.147 0.706 81 HA2 GLY 10 HA2 GLY 10 4.642 15.645 3.376 82 HA3 GLY 10 HA3 GLY 10 3.055 14.840 3.377 83 H LYS 11 H LYS 11 4.226 12.918 4.458 84 HA LYS 11 HA LYS 11 5.001 11.059 2.463 85 HB2 LYS 11 HB2 LYS 11 7.236 10.566 3.221 86 HB3 LYS 11 HB3 LYS 11 7.105 12.224 2.649 87 HG2 LYS 11 HG2 LYS 11 6.963 13.013 5.036 88 HG3 LYS 11 HG3 LYS 11 7.151 11.336 5.552 89 HD2 LYS 11 HD2 LYS 11 9.362 11.405 4.120 90 HD3 LYS 11 HD3 LYS 11 9.134 13.154 4.160 91 HE2 LYS 11 HE2 LYS 11 10.579 12.639 5.958 92 HE3 LYS 11 HE3 LYS 11 9.010 12.995 6.699 93 HZ1 LYS 11 HZ1 LYS 11 8.666 10.612 6.948 94 HZ2 LYS 11 HZ2 LYS 11 10.130 10.996 7.599 95 HZ3 LYS 11 HZ3 LYS 11 10.051 10.278 6.122 96 H CYS 12 H CYS 12 5.334 8.901 3.370 97 HA CYS 12 HA CYS 12 4.780 8.534 6.228 98 HB2 CYS 12 HB2 CYS 12 2.884 7.194 6.075 99 HB3 CYS 12 HB3 CYS 12 2.548 8.473 4.919 100 HG CYS 12 HG CYS 12 3.604 5.397 4.456 101 H VAL 13 H VAL 13 4.777 6.008 6.567 102 HA VAL 13 HA VAL 13 7.035 4.830 4.984 103 HB VAL 13 HB VAL 13 6.960 4.736 7.995 104 HG11 VAL 13 HG11 VAL 13 9.219 4.177 6.035 105 HG12 VAL 13 HG12 VAL 13 9.280 3.996 7.798 106 HG13 VAL 13 HG13 VAL 13 8.237 2.935 6.833 107 HG21 VAL 13 HG21 VAL 13 7.350 7.085 7.475 108 HG22 VAL 13 HG22 VAL 13 8.871 6.361 7.982 109 HG23 VAL 13 HG23 VAL 13 8.567 6.658 6.258 110 H ILE 14 H ILE 14 6.736 2.692 4.466 111 HA ILE 14 HA ILE 14 4.623 1.224 5.878 112 HB ILE 14 HB ILE 14 3.821 0.318 3.824 113 HG12 ILE 14 HG12 ILE 14 5.762 2.109 2.304 114 HG13 ILE 14 HG13 ILE 14 5.863 0.351 2.463 115 HG21 ILE 14 HG21 ILE 14 2.589 2.222 2.989 116 HG22 ILE 14 HG22 ILE 14 2.880 2.495 4.706 117 HG23 ILE 14 HG23 ILE 14 3.865 3.349 3.489 118 HD11 ILE 14 HD11 ILE 14 3.670 0.114 1.311 119 HD12 ILE 14 HD12 ILE 14 3.694 1.861 0.981 120 HD13 ILE 14 HD13 ILE 14 4.953 0.819 0.311 121 H ASP 15 H ASP 15 5.154 -0.921 6.253 122 HA ASP 15 HA ASP 15 7.762 -1.882 5.062 123 HB2 ASP 15 HB2 ASP 15 7.560 -0.999 7.671 124 HB3 ASP 15 HB3 ASP 15 6.910 -2.588 7.926 125 H LEU 16 H LEU 16 7.920 -3.674 4.248 126 HA LEU 16 HA LEU 16 5.575 -5.442 4.418 127 HB2 LEU 16 HB2 LEU 16 7.407 -5.311 2.064 128 HB3 LEU 16 HB3 LEU 16 5.693 -5.668 2.147 129 HG LEU 16 HG LEU 16 6.043 -3.649 1.042 130 HD11 LEU 16 HD11 LEU 16 4.872 -2.850 3.665 131 HD12 LEU 16 HD12 LEU 16 4.049 -3.695 2.345 132 HD13 LEU 16 HD13 LEU 16 4.691 -2.017 2.135 133 HD21 LEU 16 HD21 LEU 16 7.157 -1.832 1.358 134 HD22 LEU 16 HD22 LEU 16 8.224 -3.180 1.800 135 HD23 LEU 16 HD23 LEU 16 7.463 -2.154 3.049 136 H ASN 17 H ASN 17 5.856 -7.356 4.961 137 HA ASN 17 HA ASN 17 8.223 -8.434 6.170 138 HB2 ASN 17 HB2 ASN 17 6.001 -9.236 6.868 139 HB3 ASN 17 HB3 ASN 17 5.681 -9.742 5.214 140 HD21 ASN 17 HD21 ASN 17 8.127 -10.390 7.815 141 HD22 ASN 17 HD22 ASN 17 8.412 -12.035 7.237 142 H GLU 18 H GLU 18 9.863 -9.859 5.463 143 HA GLU 18 HA GLU 18 10.009 -10.157 2.561 144 HB2 GLU 18 HB2 GLU 18 12.051 -9.996 4.750 145 HB3 GLU 18 HB3 GLU 18 12.447 -10.559 3.104 146 HG2 GLU 18 HG2 GLU 18 11.478 -8.498 2.157 147 HG3 GLU 18 HG3 GLU 18 11.090 -7.917 3.775 148 H GLU 19 H GLU 19 8.202 -11.903 3.549 149 HA GLU 19 HA GLU 19 9.531 -14.411 2.720 150 HB2 GLU 19 HB2 GLU 19 7.368 -14.346 4.847 151 HB3 GLU 19 HB3 GLU 19 8.210 -15.747 4.196 152 HG2 GLU 19 HG2 GLU 19 10.378 -14.774 5.059 153 HG3 GLU 19 HG3 GLU 19 9.429 -13.518 5.882 154 H TYR 20 H TYR 20 7.852 -12.221 1.373 155 HA TYR 20 HA TYR 20 5.708 -13.963 0.208 156 HB2 TYR 20 HB2 TYR 20 5.596 -10.970 0.661 157 HB3 TYR 20 HB3 TYR 20 4.329 -11.939 -0.066 158 HD1 TYR 20 HD1 TYR 20 4.001 -14.239 1.719 159 HD2 TYR 20 HD2 TYR 20 4.827 -10.115 2.690 160 HE1 TYR 20 HE1 TYR 20 2.995 -14.566 3.954 161 HE2 TYR 20 HE2 TYR 20 3.715 -10.415 4.890 162 HH TYR 20 HH TYR 20 3.255 -13.560 6.151 163 H GLU 21 H GLU 21 5.386 -13.922 -1.974 164 HA GLU 21 HA GLU 21 7.467 -13.392 -3.757 165 HB2 GLU 21 HB2 GLU 21 5.350 -14.819 -4.122 166 HB3 GLU 21 HB3 GLU 21 4.543 -13.304 -4.509 167 HG2 GLU 21 HG2 GLU 21 5.250 -14.035 -6.629 168 HG3 GLU 21 HG3 GLU 21 6.464 -12.890 -6.183 169 H VAL 22 H VAL 22 4.664 -11.293 -3.146 170 HA VAL 22 HA VAL 22 5.366 -9.380 -5.113 171 HB VAL 22 HB VAL 22 4.325 -8.553 -2.484 172 HG11 VAL 22 HG11 VAL 22 4.354 -7.033 -4.631 173 HG12 VAL 22 HG12 VAL 22 2.713 -7.658 -4.773 174 HG13 VAL 22 HG13 VAL 22 3.211 -6.824 -3.303 175 HG21 VAL 22 HG21 VAL 22 2.691 -10.474 -3.904 176 HG22 VAL 22 HG22 VAL 22 3.268 -10.317 -2.203 177 HG23 VAL 22 HG23 VAL 22 2.032 -9.209 -2.824 178 H VAL 23 H VAL 23 6.398 -9.662 -1.693 179 HA VAL 23 HA VAL 23 7.375 -7.078 -1.716 180 HB VAL 23 HB VAL 23 7.983 -9.375 0.165 181 HG11 VAL 23 HG11 VAL 23 8.640 -6.416 0.474 182 HG12 VAL 23 HG12 VAL 23 8.777 -7.635 1.759 183 HG13 VAL 23 HG13 VAL 23 9.826 -7.735 0.349 184 HG21 VAL 23 HG21 VAL 23 6.075 -6.997 0.230 185 HG22 VAL 23 HG22 VAL 23 5.644 -8.717 0.152 186 HG23 VAL 23 HG23 VAL 23 6.375 -8.070 1.609 187 H LYS 24 H LYS 24 8.830 -10.254 -2.535 188 HA LYS 24 HA LYS 24 11.527 -9.411 -2.980 189 HB2 LYS 24 HB2 LYS 24 9.963 -11.656 -4.349 190 HB3 LYS 24 HB3 LYS 24 11.721 -11.506 -4.239 191 HG2 LYS 24 HG2 LYS 24 11.732 -11.931 -1.902 192 HG3 LYS 24 HG3 LYS 24 10.004 -11.696 -1.764 193 HD2 LYS 24 HD2 LYS 24 9.516 -13.686 -3.068 194 HD3 LYS 24 HD3 LYS 24 11.225 -13.976 -3.283 195 HE2 LYS 24 HE2 LYS 24 10.865 -13.624 -0.470 196 HE3 LYS 24 HE3 LYS 24 9.448 -14.534 -1.004 197 HZ1 LYS 24 HZ1 LYS 24 11.177 -16.024 -2.147 198 HZ2 LYS 24 HZ2 LYS 24 10.997 -16.154 -0.528 199 HZ3 LYS 24 HZ3 LYS 24 12.272 -15.336 -1.123 200 H LEU 25 H LEU 25 8.650 -9.605 -5.097 201 HA LEU 25 HA LEU 25 10.169 -9.009 -7.522 202 HB2 LEU 25 HB2 LEU 25 7.186 -9.219 -6.893 203 HB3 LEU 25 HB3 LEU 25 7.796 -8.821 -8.495 204 HG LEU 25 HG LEU 25 8.409 -11.428 -7.003 205 HD11 LEU 25 HD11 LEU 25 7.011 -12.452 -8.790 206 HD12 LEU 25 HD12 LEU 25 6.528 -10.821 -9.323 207 HD13 LEU 25 HD13 LEU 25 6.141 -11.415 -7.687 208 HD21 LEU 25 HD21 LEU 25 9.312 -12.180 -9.148 209 HD22 LEU 25 HD22 LEU 25 10.229 -10.800 -8.585 210 HD23 LEU 25 HD23 LEU 25 9.009 -10.580 -9.866 211 H LEU 26 H LEU 26 8.551 -7.218 -5.088 212 HA LEU 26 HA LEU 26 8.491 -4.644 -6.322 213 HB2 LEU 26 HB2 LEU 26 8.321 -5.859 -3.580 214 HB3 LEU 26 HB3 LEU 26 8.847 -4.227 -3.643 215 HG LEU 26 HG LEU 26 6.383 -5.189 -5.132 216 HD11 LEU 26 HD11 LEU 26 6.026 -5.848 -2.829 217 HD12 LEU 26 HD12 LEU 26 4.925 -4.590 -3.359 218 HD13 LEU 26 HD13 LEU 26 6.288 -4.168 -2.300 219 HD21 LEU 26 HD21 LEU 26 7.253 -2.887 -5.692 220 HD22 LEU 26 HD22 LEU 26 7.101 -2.440 -3.988 221 HD23 LEU 26 HD23 LEU 26 5.648 -2.815 -4.936 222 H LYS 27 H LYS 27 11.063 -6.458 -4.529 223 HA LYS 27 HA LYS 27 12.661 -4.199 -3.896 224 HB2 LYS 27 HB2 LYS 27 12.892 -6.626 -3.038 225 HB3 LYS 27 HB3 LYS 27 13.684 -6.985 -4.573 226 HG2 LYS 27 HG2 LYS 27 15.250 -4.920 -3.913 227 HG3 LYS 27 HG3 LYS 27 14.600 -5.197 -2.304 228 HD2 LYS 27 HD2 LYS 27 16.692 -6.333 -2.492 229 HD3 LYS 27 HD3 LYS 27 15.437 -7.583 -2.450 230 HE2 LYS 27 HE2 LYS 27 15.618 -7.960 -4.839 231 HE3 LYS 27 HE3 LYS 27 16.526 -6.457 -5.064 232 HZ1 LYS 27 HZ1 LYS 27 18.357 -7.468 -3.810 233 HZ2 LYS 27 HZ2 LYS 27 17.989 -8.290 -5.181 234 HZ3 LYS 27 HZ3 LYS 27 17.546 -8.892 -3.735 235 H GLU 28 H GLU 28 12.342 -6.112 -6.768 236 HA GLU 28 HA GLU 28 14.683 -5.300 -8.222 237 HB2 GLU 28 HB2 GLU 28 11.938 -6.368 -9.020 238 HB3 GLU 28 HB3 GLU 28 13.218 -6.117 -10.193 239 HG2 GLU 28 HG2 GLU 28 13.520 -7.883 -7.719 240 HG3 GLU 28 HG3 GLU 28 12.971 -8.456 -9.278 241 H LYS 29 H LYS 29 11.561 -3.756 -7.689 242 HA LYS 29 HA LYS 29 11.940 -1.913 -9.996 243 HB2 LYS 29 HB2 LYS 29 9.454 -2.599 -8.376 244 HB3 LYS 29 HB3 LYS 29 9.536 -1.598 -9.819 245 HG2 LYS 29 HG2 LYS 29 10.121 -4.589 -9.776 246 HG3 LYS 29 HG3 LYS 29 8.584 -3.846 -10.214 247 HD2 LYS 29 HD2 LYS 29 9.827 -2.560 -12.023 248 HD3 LYS 29 HD3 LYS 29 11.237 -3.578 -11.674 249 HE2 LYS 29 HE2 LYS 29 9.767 -5.599 -12.104 250 HE3 LYS 29 HE3 LYS 29 8.470 -4.489 -12.610 251 HZ1 LYS 29 HZ1 LYS 29 9.789 -5.357 -14.471 252 HZ2 LYS 29 HZ2 LYS 29 11.136 -4.724 -13.860 253 HZ3 LYS 29 HZ3 LYS 29 9.966 -3.702 -14.376 254 H ILE 30 H ILE 30 12.731 -1.788 -6.772 255 HA ILE 30 HA ILE 30 11.497 0.889 -6.309 256 HB ILE 30 HB ILE 30 12.749 -1.151 -4.492 257 HG12 ILE 30 HG12 ILE 30 9.960 0.012 -4.217 258 HG13 ILE 30 HG13 ILE 30 10.269 -1.343 -5.258 259 HG21 ILE 30 HG21 ILE 30 12.443 0.282 -2.564 260 HG22 ILE 30 HG22 ILE 30 13.365 1.218 -3.738 261 HG23 ILE 30 HG23 ILE 30 11.647 1.524 -3.500 262 HD11 ILE 30 HD11 ILE 30 10.788 -1.221 -2.255 263 HD12 ILE 30 HD12 ILE 30 9.483 -2.077 -3.091 264 HD13 ILE 30 HD13 ILE 30 11.160 -2.614 -3.298 265 HA PRO 31 HA PRO 31 12.025 2.864 -5.332 266 HB2 PRO 31 HB2 PRO 31 12.932 5.216 -6.631 267 HB3 PRO 31 HB3 PRO 31 13.009 4.840 -4.898 268 HG2 PRO 31 HG2 PRO 31 15.229 5.025 -6.690 269 HG3 PRO 31 HG3 PRO 31 15.216 4.491 -4.984 270 HD2 PRO 31 HD2 PRO 31 15.340 2.860 -7.463 271 HD3 PRO 31 HD3 PRO 31 15.780 2.415 -5.789 272 H PHE 32 H PHE 32 10.320 4.147 -6.400 273 HA PHE 32 HA PHE 32 10.167 4.349 -9.147 274 HB2 PHE 32 HB2 PHE 32 8.272 3.014 -9.711 275 HB3 PHE 32 HB3 PHE 32 9.541 1.990 -9.137 276 HD1 PHE 32 HD1 PHE 32 9.331 0.945 -6.847 277 HD2 PHE 32 HD2 PHE 32 6.142 3.168 -8.653 278 HE1 PHE 32 HE1 PHE 32 7.677 -0.196 -5.341 279 HE2 PHE 32 HE2 PHE 32 4.501 2.133 -7.151 280 HZ PHE 32 HZ PHE 32 5.275 0.407 -5.470 281 H GLU 33 H GLU 33 7.871 5.295 -9.751 282 HA GLU 33 HA GLU 33 6.517 6.556 -7.517 283 HB2 GLU 33 HB2 GLU 33 6.303 8.561 -9.006 284 HB3 GLU 33 HB3 GLU 33 7.574 8.209 -7.871 285 HG2 GLU 33 HG2 GLU 33 8.291 9.252 -9.545 286 HG3 GLU 33 HG3 GLU 33 8.785 7.615 -9.477 287 H SER 34 H SER 34 4.616 7.655 -8.558 288 HA SER 34 HA SER 34 3.294 6.325 -10.844 289 HB2 SER 34 HB2 SER 34 3.288 4.564 -9.014 290 HB3 SER 34 HB3 SER 34 2.123 5.542 -8.147 291 HG SER 34 HG SER 34 1.733 3.787 -9.981 292 H VAL 35 H VAL 35 0.517 6.678 -9.881 293 HA VAL 35 HA VAL 35 0.359 9.627 -9.409 294 HB VAL 35 HB VAL 35 -1.751 8.004 -10.898 295 HG11 VAL 35 HG11 VAL 35 -2.422 10.164 -9.903 296 HG12 VAL 35 HG12 VAL 35 -1.100 10.978 -10.780 297 HG13 VAL 35 HG13 VAL 35 -2.452 10.232 -11.666 298 HG21 VAL 35 HG21 VAL 35 0.192 7.743 -12.288 299 HG22 VAL 35 HG22 VAL 35 -0.891 8.931 -13.029 300 HG23 VAL 35 HG23 VAL 35 0.567 9.487 -12.173 301 H VAL 36 H VAL 36 -0.986 10.118 -7.530 302 HA VAL 36 HA VAL 36 -1.670 7.822 -6.035 303 HB VAL 36 HB VAL 36 -1.926 10.811 -5.391 304 HG11 VAL 36 HG11 VAL 36 -3.075 9.409 -3.741 305 HG12 VAL 36 HG12 VAL 36 -1.584 8.420 -3.581 306 HG13 VAL 36 HG13 VAL 36 -1.619 10.078 -3.012 307 HG21 VAL 36 HG21 VAL 36 0.462 9.045 -4.852 308 HG22 VAL 36 HG22 VAL 36 0.411 10.536 -5.856 309 HG23 VAL 36 HG23 VAL 36 0.218 10.627 -4.113 310 H ASN 37 H ASN 37 -3.565 7.151 -7.457 311 HA ASN 37 HA ASN 37 -5.944 8.805 -7.577 312 HB2 ASN 37 HB2 ASN 37 -6.060 5.798 -7.315 313 HB3 ASN 37 HB3 ASN 37 -7.135 6.856 -8.196 314 HD21 ASN 37 HD21 ASN 37 -4.162 5.127 -8.210 315 HD22 ASN 37 HD22 ASN 37 -3.712 5.306 -9.900 316 H THR 38 H THR 38 -7.828 8.753 -6.204 317 HA THR 38 HA THR 38 -7.429 7.649 -3.453 318 HB THR 38 HB THR 38 -8.758 9.608 -2.662 319 HG1 THR 38 HG1 THR 38 -8.449 10.448 -5.348 320 HG21 THR 38 HG21 THR 38 -6.058 10.208 -3.922 321 HG22 THR 38 HG22 THR 38 -6.424 9.698 -2.263 322 HG23 THR 38 HG23 THR 38 -6.908 11.294 -2.795 323 H TRP 39 H TRP 39 -9.236 6.600 -2.561 324 HA TRP 39 HA TRP 39 -11.859 6.836 -3.887 325 HB2 TRP 39 HB2 TRP 39 -10.889 5.144 -5.235 326 HB3 TRP 39 HB3 TRP 39 -10.163 4.329 -3.849 327 HD1 TRP 39 HD1 TRP 39 -13.494 4.837 -5.654 328 HE1 TRP 39 HE1 TRP 39 -14.984 2.760 -5.216 329 HE3 TRP 39 HE3 TRP 39 -10.580 2.440 -2.201 330 HZ2 TRP 39 HZ2 TRP 39 -14.823 0.358 -3.725 331 HZ3 TRP 39 HZ3 TRP 39 -11.247 0.201 -1.341 332 HH2 TRP 39 HH2 TRP 39 -13.325 -0.852 -2.088 333 H GLY 40 H GLY 40 -12.920 7.468 -2.011 334 HA2 GLY 40 HA2 GLY 40 -14.062 7.063 -0.062 335 HA3 GLY 40 HA3 GLY 40 -13.557 5.388 -0.273 336 H GLU 41 H GLU 41 -11.018 7.647 0.191 337 HA GLU 41 HA GLU 41 -9.512 8.050 1.880 338 HB2 GLU 41 HB2 GLU 41 -11.274 6.598 3.884 339 HB3 GLU 41 HB3 GLU 41 -9.862 7.570 4.219 340 HG2 GLU 41 HG2 GLU 41 -10.910 9.554 4.021 341 HG3 GLU 41 HG3 GLU 41 -11.944 9.027 2.708 342 H GLU 42 H GLU 42 -9.685 5.681 0.092 343 HA GLU 42 HA GLU 42 -7.324 4.469 1.374 344 HB2 GLU 42 HB2 GLU 42 -8.836 2.645 1.078 345 HB3 GLU 42 HB3 GLU 42 -9.394 3.249 -0.484 346 HG2 GLU 42 HG2 GLU 42 -7.171 2.701 -1.488 347 HG3 GLU 42 HG3 GLU 42 -6.716 1.949 0.050 348 H ILE 43 H ILE 43 -5.595 4.280 -0.075 349 HA ILE 43 HA ILE 43 -5.640 6.088 -2.436 350 HB ILE 43 HB ILE 43 -3.644 5.978 -0.135 351 HG12 ILE 43 HG12 ILE 43 -4.917 8.443 -1.388 352 HG13 ILE 43 HG13 ILE 43 -5.725 7.573 -0.097 353 HG21 ILE 43 HG21 ILE 43 -2.211 7.519 -1.435 354 HG22 ILE 43 HG22 ILE 43 -2.416 6.002 -2.304 355 HG23 ILE 43 HG23 ILE 43 -3.364 7.439 -2.769 356 HD11 ILE 43 HD11 ILE 43 -4.503 9.346 0.929 357 HD12 ILE 43 HD12 ILE 43 -3.626 7.848 1.298 358 HD13 ILE 43 HD13 ILE 43 -3.019 8.960 0.046 359 H TYR 44 H TYR 44 -5.028 4.999 -4.172 360 HA TYR 44 HA TYR 44 -3.479 2.488 -3.987 361 HB2 TYR 44 HB2 TYR 44 -5.105 1.356 -5.349 362 HB3 TYR 44 HB3 TYR 44 -5.914 1.970 -3.920 363 HD1 TYR 44 HD1 TYR 44 -7.308 4.158 -4.147 364 HD2 TYR 44 HD2 TYR 44 -5.713 2.017 -7.514 365 HE1 TYR 44 HE1 TYR 44 -8.831 5.388 -5.666 366 HE2 TYR 44 HE2 TYR 44 -7.434 3.064 -9.001 367 HH TYR 44 HH TYR 44 -9.291 4.468 -9.077 368 H PHE 45 H PHE 45 -2.101 2.257 -5.780 369 HA PHE 45 HA PHE 45 -2.154 4.326 -7.918 370 HB2 PHE 45 HB2 PHE 45 0.279 4.582 -7.712 371 HB3 PHE 45 HB3 PHE 45 -0.672 5.437 -6.579 372 HD1 PHE 45 HD1 PHE 45 1.821 2.687 -7.022 373 HD2 PHE 45 HD2 PHE 45 -0.687 4.774 -4.194 374 HE1 PHE 45 HE1 PHE 45 3.326 2.025 -5.160 375 HE2 PHE 45 HE2 PHE 45 0.830 4.091 -2.348 376 HZ PHE 45 HZ PHE 45 2.864 2.758 -2.845 377 H SER 46 H SER 46 -0.855 3.500 -9.797 378 HA SER 46 HA SER 46 -0.774 0.634 -10.087 379 HB2 SER 46 HB2 SER 46 -0.934 2.609 -11.880 380 HB3 SER 46 HB3 SER 46 0.824 2.484 -11.862 381 HG SER 46 HG SER 46 -0.855 1.105 -13.221 382 H THR 47 H THR 47 0.727 -0.625 -9.103 383 HA THR 47 HA THR 47 3.493 0.363 -8.712 384 HB THR 47 HB THR 47 3.866 -1.873 -7.735 385 HG1 THR 47 HG1 THR 47 1.680 -2.993 -7.305 386 HG21 THR 47 HG21 THR 47 3.041 -0.006 -6.284 387 HG22 THR 47 HG22 THR 47 2.556 -1.602 -5.687 388 HG23 THR 47 HG23 THR 47 1.380 -0.567 -6.518 389 HA PRO 48 HA PRO 48 4.678 -1.337 -12.629 390 HB2 PRO 48 HB2 PRO 48 7.352 -1.531 -12.282 391 HB3 PRO 48 HB3 PRO 48 6.541 0.060 -12.241 392 HG2 PRO 48 HG2 PRO 48 7.271 -1.740 -9.894 393 HG3 PRO 48 HG3 PRO 48 7.718 -0.016 -10.128 394 HD2 PRO 48 HD2 PRO 48 5.571 -0.720 -8.661 395 HD3 PRO 48 HD3 PRO 48 5.500 0.691 -9.758 396 H VAL 49 H VAL 49 4.481 -3.112 -9.887 397 HA VAL 49 HA VAL 49 5.832 -5.600 -10.676 398 HB VAL 49 HB VAL 49 4.015 -4.877 -8.345 399 HG11 VAL 49 HG11 VAL 49 6.015 -7.173 -8.675 400 HG12 VAL 49 HG12 VAL 49 5.196 -6.743 -7.151 401 HG13 VAL 49 HG13 VAL 49 4.242 -7.299 -8.516 402 HG21 VAL 49 HG21 VAL 49 7.056 -4.929 -8.307 403 HG22 VAL 49 HG22 VAL 49 6.084 -3.435 -8.372 404 HG23 VAL 49 HG23 VAL 49 5.921 -4.497 -7.011 405 H ASN 50 H ASN 50 4.584 -7.644 -10.830 406 HA ASN 50 HA ASN 50 1.748 -7.297 -11.459 407 HB2 ASN 50 HB2 ASN 50 3.414 -7.165 -13.538 408 HB3 ASN 50 HB3 ASN 50 3.343 -8.931 -13.413 409 HD21 ASN 50 HD21 ASN 50 2.330 -6.933 -15.498 410 HD22 ASN 50 HD22 ASN 50 0.616 -7.234 -15.641 411 H VAL 51 H VAL 51 3.240 -8.571 -9.279 412 HA VAL 51 HA VAL 51 3.013 -11.387 -9.551 413 HB VAL 51 HB VAL 51 4.452 -10.304 -7.965 414 HG11 VAL 51 HG11 VAL 51 2.493 -9.518 -5.970 415 HG12 VAL 51 HG12 VAL 51 4.052 -8.844 -6.451 416 HG13 VAL 51 HG13 VAL 51 2.592 -8.456 -7.382 417 HG21 VAL 51 HG21 VAL 51 2.435 -11.784 -6.246 418 HG22 VAL 51 HG22 VAL 51 3.846 -12.480 -7.066 419 HG23 VAL 51 HG23 VAL 51 4.030 -11.272 -5.732 420 H GLN 52 H GLN 52 1.436 -12.802 -8.524 421 HA GLN 52 HA GLN 52 -1.139 -11.538 -7.807 422 HB2 GLN 52 HB2 GLN 52 -0.807 -13.813 -9.799 423 HB3 GLN 52 HB3 GLN 52 -2.345 -13.266 -9.092 424 HG2 GLN 52 HG2 GLN 52 -1.956 -10.990 -10.033 425 HG3 GLN 52 HG3 GLN 52 -0.480 -11.580 -10.810 426 HE21 GLN 52 HE21 GLN 52 -3.210 -13.851 -10.889 427 HE22 GLN 52 HE22 GLN 52 -3.736 -13.398 -12.490 428 H LYS 53 H LYS 53 1.325 -13.619 -6.831 429 HA LYS 53 HA LYS 53 -0.298 -15.595 -5.510 430 HB2 LYS 53 HB2 LYS 53 2.123 -15.871 -6.078 431 HB3 LYS 53 HB3 LYS 53 2.540 -14.682 -4.850 432 HG2 LYS 53 HG2 LYS 53 1.833 -16.109 -3.080 433 HG3 LYS 53 HG3 LYS 53 0.943 -17.192 -4.126 434 HD2 LYS 53 HD2 LYS 53 3.119 -17.855 -5.240 435 HD3 LYS 53 HD3 LYS 53 3.965 -16.798 -4.100 436 HE2 LYS 53 HE2 LYS 53 2.901 -18.121 -2.235 437 HE3 LYS 53 HE3 LYS 53 2.312 -19.274 -3.444 438 HZ1 LYS 53 HZ1 LYS 53 4.494 -19.931 -3.899 439 HZ2 LYS 53 HZ2 LYS 53 4.460 -19.785 -2.256 440 HZ3 LYS 53 HZ3 LYS 53 5.168 -18.605 -3.168 441 H MET 54 H MET 54 -1.202 -15.613 -3.473 442 HA MET 54 HA MET 54 -0.467 -13.509 -1.560 443 HB2 MET 54 HB2 MET 54 -2.797 -13.555 -0.660 444 HB3 MET 54 HB3 MET 54 -2.606 -12.755 -2.222 445 HG2 MET 54 HG2 MET 54 -3.558 -15.618 -1.996 446 HG3 MET 54 HG3 MET 54 -4.618 -14.226 -1.850 447 HE1 MET 54 HE1 MET 54 -4.548 -16.774 -4.155 448 HE2 MET 54 HE2 MET 54 -5.900 -15.718 -3.684 449 HE3 MET 54 HE3 MET 54 -5.388 -15.819 -5.386 450 H GLU 55 H GLU 55 0.160 -14.356 0.371 451 HA GLU 55 HA GLU 55 -0.290 -17.248 0.923 452 HB2 GLU 55 HB2 GLU 55 1.296 -15.051 2.336 453 HB3 GLU 55 HB3 GLU 55 0.995 -16.627 3.058 454 HG2 GLU 55 HG2 GLU 55 2.511 -16.102 0.531 455 HG3 GLU 55 HG3 GLU 55 3.204 -16.581 2.062 456 H ASN 56 H ASN 56 -1.117 -13.916 1.836 457 HA ASN 56 HA ASN 56 -2.687 -14.791 4.192 458 HB2 ASN 56 HB2 ASN 56 -0.421 -13.687 4.501 459 HB3 ASN 56 HB3 ASN 56 -1.068 -12.238 3.718 460 HD21 ASN 56 HD21 ASN 56 -3.536 -11.865 4.899 461 HD22 ASN 56 HD22 ASN 56 -3.285 -11.564 6.625 462 HA PRO 57 HA PRO 57 -5.357 -12.281 1.233 463 HB2 PRO 57 HB2 PRO 57 -7.467 -14.012 0.956 464 HB3 PRO 57 HB3 PRO 57 -6.040 -13.988 -0.127 465 HG2 PRO 57 HG2 PRO 57 -6.590 -15.819 2.213 466 HG3 PRO 57 HG3 PRO 57 -5.980 -16.245 0.584 467 HD2 PRO 57 HD2 PRO 57 -4.335 -15.895 2.753 468 HD3 PRO 57 HD3 PRO 57 -3.830 -15.494 1.085 469 H ARG 58 H ARG 58 -6.454 -10.801 2.516 470 HA ARG 58 HA ARG 58 -8.034 -11.806 4.849 471 HB2 ARG 58 HB2 ARG 58 -6.398 -9.260 4.499 472 HB3 ARG 58 HB3 ARG 58 -7.833 -9.272 5.478 473 HG2 ARG 58 HG2 ARG 58 -6.380 -11.524 6.422 474 HG3 ARG 58 HG3 ARG 58 -5.172 -10.280 6.106 475 HD2 ARG 58 HD2 ARG 58 -6.804 -8.659 7.288 476 HD3 ARG 58 HD3 ARG 58 -7.661 -10.102 7.852 477 HE ARG 58 HE ARG 58 -4.924 -10.298 8.595 478 HH11 ARG 58 HH11 ARG 58 -7.919 -8.658 9.547 479 HH12 ARG 58 HH12 ARG 58 -7.141 -7.762 10.853 480 HH21 ARG 58 HH21 ARG 58 -3.997 -9.179 10.459 481 HH22 ARG 58 HH22 ARG 58 -5.044 -8.140 11.417 482 H GLU 59 H GLU 59 -10.074 -11.061 5.009 483 HA GLU 59 HA GLU 59 -11.209 -9.554 2.695 484 HB2 GLU 59 HB2 GLU 59 -12.456 -11.469 4.700 485 HB3 GLU 59 HB3 GLU 59 -13.383 -10.508 3.546 486 HG2 GLU 59 HG2 GLU 59 -12.130 -11.516 1.685 487 HG3 GLU 59 HG3 GLU 59 -11.265 -12.558 2.813 488 H VAL 60 H VAL 60 -10.209 -8.905 5.934 489 HA VAL 60 HA VAL 60 -11.247 -6.272 5.809 490 HB VAL 60 HB VAL 60 -13.071 -7.306 6.716 491 HG11 VAL 60 HG11 VAL 60 -12.294 -9.490 7.316 492 HG12 VAL 60 HG12 VAL 60 -11.617 -8.825 8.828 493 HG13 VAL 60 HG13 VAL 60 -13.378 -8.758 8.484 494 HG21 VAL 60 HG21 VAL 60 -11.460 -6.154 9.029 495 HG22 VAL 60 HG22 VAL 60 -12.603 -5.291 8.005 496 HG23 VAL 60 HG23 VAL 60 -13.162 -6.503 9.163 497 H VAL 61 H VAL 61 -9.974 -4.903 7.178 498 HA VAL 61 HA VAL 61 -7.466 -6.107 8.238 499 HB VAL 61 HB VAL 61 -6.248 -4.416 6.890 500 HG11 VAL 61 HG11 VAL 61 -6.402 -5.508 4.745 501 HG12 VAL 61 HG12 VAL 61 -6.568 -6.736 6.012 502 HG13 VAL 61 HG13 VAL 61 -7.993 -6.168 5.110 503 HG21 VAL 61 HG21 VAL 61 -7.417 -3.300 5.005 504 HG22 VAL 61 HG22 VAL 61 -8.968 -3.836 5.614 505 HG23 VAL 61 HG23 VAL 61 -7.983 -2.712 6.572 506 H GLU 62 H GLU 62 -6.105 -3.845 9.009 507 HA GLU 62 HA GLU 62 -7.965 -2.325 10.770 508 HB2 GLU 62 HB2 GLU 62 -5.086 -3.229 10.961 509 HB3 GLU 62 HB3 GLU 62 -5.529 -1.725 11.718 510 HG2 GLU 62 HG2 GLU 62 -7.303 -4.045 12.301 511 HG3 GLU 62 HG3 GLU 62 -5.677 -4.056 12.971 512 H ILE 63 H ILE 63 -7.488 -0.156 11.100 513 HA ILE 63 HA ILE 63 -6.762 1.468 8.773 514 HB ILE 63 HB ILE 63 -7.402 2.307 11.635 515 HG12 ILE 63 HG12 ILE 63 -9.274 2.301 9.219 516 HG13 ILE 63 HG13 ILE 63 -9.246 1.057 10.457 517 HG21 ILE 63 HG21 ILE 63 -7.627 3.954 9.109 518 HG22 ILE 63 HG22 ILE 63 -7.718 4.536 10.770 519 HG23 ILE 63 HG23 ILE 63 -6.173 3.990 10.131 520 HD11 ILE 63 HD11 ILE 63 -10.020 3.954 10.800 521 HD12 ILE 63 HD12 ILE 63 -10.999 2.506 11.110 522 HD13 ILE 63 HD13 ILE 63 -9.647 2.885 12.188 523 H GLY 64 H GLY 64 -4.725 0.590 8.594 524 HA2 GLY 64 HA2 GLY 64 -2.406 1.826 9.375 525 HA3 GLY 64 HA3 GLY 64 -2.728 0.811 10.774 526 H ASP 65 H ASP 65 -3.889 -0.958 8.082 527 HA ASP 65 HA ASP 65 -1.226 -2.274 7.810 528 HB2 ASP 65 HB2 ASP 65 -3.952 -3.265 6.863 529 HB3 ASP 65 HB3 ASP 65 -2.436 -4.146 6.819 530 H VAL 66 H VAL 66 -1.057 -3.236 5.421 531 HA VAL 66 HA VAL 66 -2.230 -1.443 3.390 532 HB VAL 66 HB VAL 66 0.728 -2.077 3.778 533 HG11 VAL 66 HG11 VAL 66 0.378 -2.427 1.445 534 HG12 VAL 66 HG12 VAL 66 -0.625 -0.961 1.305 535 HG13 VAL 66 HG13 VAL 66 1.106 -0.815 1.644 536 HG21 VAL 66 HG21 VAL 66 -0.950 0.413 3.690 537 HG22 VAL 66 HG22 VAL 66 0.057 -0.208 5.004 538 HG23 VAL 66 HG23 VAL 66 0.836 0.470 3.564 539 H GLY 67 H GLY 67 -2.872 -2.542 1.591 540 HA2 GLY 67 HA2 GLY 67 -2.445 -5.519 1.663 541 HA3 GLY 67 HA3 GLY 67 -3.759 -4.663 0.849 542 H TYR 68 H TYR 68 -2.763 -6.201 -0.883 543 HA TYR 68 HA TYR 68 -2.037 -4.099 -2.632 544 HB2 TYR 68 HB2 TYR 68 -0.343 -4.915 -3.830 545 HB3 TYR 68 HB3 TYR 68 0.077 -5.696 -2.319 546 HD1 TYR 68 HD1 TYR 68 -1.178 -8.050 -2.013 547 HD2 TYR 68 HD2 TYR 68 -0.083 -6.248 -5.734 548 HE1 TYR 68 HE1 TYR 68 -0.793 -10.356 -3.040 549 HE2 TYR 68 HE2 TYR 68 0.264 -8.456 -6.733 550 HH TYR 68 HH TYR 68 0.095 -11.492 -4.800 551 H TRP 69 H TRP 69 -2.976 -4.501 -4.726 552 HA TRP 69 HA TRP 69 -5.246 -6.397 -4.569 553 HB2 TRP 69 HB2 TRP 69 -5.873 -4.057 -4.097 554 HB3 TRP 69 HB3 TRP 69 -5.327 -3.609 -5.705 555 HD1 TRP 69 HD1 TRP 69 -7.592 -6.454 -4.269 556 HE1 TRP 69 HE1 TRP 69 -9.726 -6.643 -5.751 557 HE3 TRP 69 HE3 TRP 69 -6.677 -2.742 -7.705 558 HZ2 TRP 69 HZ2 TRP 69 -11.059 -5.095 -7.681 559 HZ3 TRP 69 HZ3 TRP 69 -8.472 -2.075 -9.303 560 HH2 TRP 69 HH2 TRP 69 -10.695 -3.221 -9.219 561 HA PRO 70 HA PRO 70 -2.265 -7.426 -7.757 562 HB2 PRO 70 HB2 PRO 70 -3.688 -9.951 -8.270 563 HB3 PRO 70 HB3 PRO 70 -2.040 -9.659 -7.659 564 HG2 PRO 70 HG2 PRO 70 -4.138 -10.621 -6.100 565 HG3 PRO 70 HG3 PRO 70 -2.739 -9.734 -5.447 566 HD2 PRO 70 HD2 PRO 70 -5.478 -8.725 -6.029 567 HD3 PRO 70 HD3 PRO 70 -4.464 -8.289 -4.732 568 HA PRO 71 HA PRO 71 -5.331 -8.486 -11.254 569 HB2 PRO 71 HB2 PRO 71 -8.007 -7.869 -11.087 570 HB3 PRO 71 HB3 PRO 71 -7.297 -9.403 -10.509 571 HG2 PRO 71 HG2 PRO 71 -7.983 -6.942 -8.869 572 HG3 PRO 71 HG3 PRO 71 -8.228 -8.667 -8.398 573 HD2 PRO 71 HD2 PRO 71 -6.247 -7.338 -7.483 574 HD3 PRO 71 HD3 PRO 71 -6.110 -9.082 -7.935 575 H GLY 72 H GLY 72 -5.735 -5.478 -9.479 576 HA2 GLY 72 HA2 GLY 72 -5.745 -3.880 -11.977 577 HA3 GLY 72 HA3 GLY 72 -6.201 -3.313 -10.376 578 H LYS 73 H LYS 73 -3.360 -5.268 -10.257 579 HA LYS 73 HA LYS 73 -1.264 -4.797 -9.547 580 HB2 LYS 73 HB2 LYS 73 -1.367 -3.189 -12.127 581 HB3 LYS 73 HB3 LYS 73 0.077 -3.334 -11.146 582 HG2 LYS 73 HG2 LYS 73 0.586 -4.987 -12.483 583 HG3 LYS 73 HG3 LYS 73 -0.323 -5.940 -11.335 584 HD2 LYS 73 HD2 LYS 73 -1.455 -4.771 -13.901 585 HD3 LYS 73 HD3 LYS 73 -0.682 -6.353 -13.810 586 HE2 LYS 73 HE2 LYS 73 -2.325 -7.065 -12.073 587 HE3 LYS 73 HE3 LYS 73 -3.152 -5.507 -12.283 588 HZ1 LYS 73 HZ1 LYS 73 -3.442 -6.099 -14.616 589 HZ2 LYS 73 HZ2 LYS 73 -4.267 -7.048 -13.564 590 HZ3 LYS 73 HZ3 LYS 73 -2.894 -7.617 -14.305 591 H ALA 74 H ALA 74 -2.891 -3.561 -7.879 592 HA ALA 74 HA ALA 74 -1.828 -0.784 -7.692 593 HB1 ALA 74 HB1 ALA 74 -4.187 -0.837 -8.306 594 HB2 ALA 74 HB2 ALA 74 -4.561 -1.769 -6.835 595 HB3 ALA 74 HB3 ALA 74 -3.930 -0.116 -6.708 596 H LEU 75 H LEU 75 -1.579 0.095 -5.673 597 HA LEU 75 HA LEU 75 -1.060 -1.735 -3.404 598 HB2 LEU 75 HB2 LEU 75 0.338 0.447 -4.122 599 HB3 LEU 75 HB3 LEU 75 -0.952 1.299 -3.291 600 HG LEU 75 HG LEU 75 -0.253 -0.826 -1.534 601 HD11 LEU 75 HD11 LEU 75 1.741 -1.290 -2.796 602 HD12 LEU 75 HD12 LEU 75 2.176 -0.532 -1.246 603 HD13 LEU 75 HD13 LEU 75 2.242 0.411 -2.741 604 HD21 LEU 75 HD21 LEU 75 -0.898 1.464 -0.920 605 HD22 LEU 75 HD22 LEU 75 0.724 2.034 -1.366 606 HD23 LEU 75 HD23 LEU 75 0.525 0.882 -0.038 607 H CYS 76 H CYS 76 -2.091 -0.885 -1.220 608 HA CYS 76 HA CYS 76 -4.470 0.732 -1.439 609 HB2 CYS 76 HB2 CYS 76 -5.588 -1.162 0.091 610 HB3 CYS 76 HB3 CYS 76 -5.871 -0.995 -1.621 611 HG CYS 76 HG CYS 76 -4.290 -2.693 -2.484 612 H LEU 77 H LEU 77 -3.832 2.221 -0.065 613 HA LEU 77 HA LEU 77 -2.630 1.610 2.585 614 HB2 LEU 77 HB2 LEU 77 -3.353 4.126 1.030 615 HB3 LEU 77 HB3 LEU 77 -2.885 4.200 2.712 616 HG LEU 77 HG LEU 77 -1.095 2.890 0.654 617 HD11 LEU 77 HD11 LEU 77 0.124 5.055 0.442 618 HD12 LEU 77 HD12 LEU 77 -1.213 5.846 1.305 619 HD13 LEU 77 HD13 LEU 77 -1.485 5.062 -0.268 620 HD21 LEU 77 HD21 LEU 77 0.702 3.361 2.165 621 HD22 LEU 77 HD22 LEU 77 -0.585 2.575 3.093 622 HD23 LEU 77 HD23 LEU 77 -0.344 4.324 3.213 623 H PHE 78 H PHE 78 -4.102 1.156 4.266 624 HA PHE 78 HA PHE 78 -6.892 2.105 3.914 625 HB2 PHE 78 HB2 PHE 78 -5.886 -0.033 5.804 626 HB3 PHE 78 HB3 PHE 78 -7.538 0.347 5.381 627 HD1 PHE 78 HD1 PHE 78 -8.063 0.204 2.694 628 HD2 PHE 78 HD2 PHE 78 -4.892 -1.887 4.757 629 HE1 PHE 78 HE1 PHE 78 -8.123 -1.617 1.008 630 HE2 PHE 78 HE2 PHE 78 -4.996 -3.705 3.076 631 HZ PHE 78 HZ PHE 78 -6.714 -3.583 1.215 632 H PHE 79 H PHE 79 -7.126 4.071 4.879 633 HA PHE 79 HA PHE 79 -6.102 4.409 7.634 634 HB2 PHE 79 HB2 PHE 79 -5.223 6.591 7.180 635 HB3 PHE 79 HB3 PHE 79 -4.443 5.373 6.191 636 HD1 PHE 79 HD1 PHE 79 -4.974 5.171 3.783 637 HD2 PHE 79 HD2 PHE 79 -6.605 8.357 6.179 638 HE1 PHE 79 HE1 PHE 79 -5.608 6.353 1.741 639 HE2 PHE 79 HE2 PHE 79 -7.216 9.595 4.096 640 HZ PHE 79 HZ PHE 79 -6.742 8.599 1.871 641 H GLY 80 H GLY 80 -8.933 4.232 6.003 642 HA2 GLY 80 HA2 GLY 80 -10.229 5.942 7.971 643 HA3 GLY 80 HA3 GLY 80 -10.520 6.396 6.275 644 H LYS 81 H LYS 81 -12.394 5.483 5.479 645 HA LYS 81 HA LYS 81 -12.826 2.650 5.770 646 HB2 LYS 81 HB2 LYS 81 -13.780 3.227 7.890 647 HB3 LYS 81 HB3 LYS 81 -14.731 4.548 7.208 648 HG2 LYS 81 HG2 LYS 81 -16.165 3.032 6.041 649 HG3 LYS 81 HG3 LYS 81 -15.087 1.651 6.405 650 HD2 LYS 81 HD2 LYS 81 -15.601 1.761 8.741 651 HD3 LYS 81 HD3 LYS 81 -16.557 3.246 8.549 652 HE2 LYS 81 HE2 LYS 81 -17.254 0.492 7.391 653 HE3 LYS 81 HE3 LYS 81 -17.906 1.179 8.871 654 HZ1 LYS 81 HZ1 LYS 81 -18.757 3.024 7.348 655 HZ2 LYS 81 HZ2 LYS 81 -19.457 1.528 7.256 656 HZ3 LYS 81 HZ3 LYS 81 -18.412 1.977 6.110 657 H THR 82 H THR 82 -13.491 1.995 3.820 658 HA THR 82 HA THR 82 -14.071 3.962 1.793 659 HB THR 82 HB THR 82 -13.475 1.724 0.472 660 HG1 THR 82 HG1 THR 82 -13.042 0.123 1.710 661 HG21 THR 82 HG21 THR 82 -11.381 3.117 2.217 662 HG22 THR 82 HG22 THR 82 -11.927 3.628 0.609 663 HG23 THR 82 HG23 THR 82 -11.070 2.092 0.797 664 HA PRO 83 HA PRO 83 -18.203 2.797 1.217 665 HB2 PRO 83 HB2 PRO 83 -18.732 3.309 -1.419 666 HB3 PRO 83 HB3 PRO 83 -18.240 4.568 -0.251 667 HG2 PRO 83 HG2 PRO 83 -16.445 3.027 -2.168 668 HG3 PRO 83 HG3 PRO 83 -16.575 4.809 -1.970 669 HD2 PRO 83 HD2 PRO 83 -14.651 3.422 -0.686 670 HD3 PRO 83 HD3 PRO 83 -15.530 4.750 0.149 671 H MET 84 H MET 84 -16.048 0.461 0.163 672 HA MET 84 HA MET 84 -18.096 -1.269 -1.137 673 HB2 MET 84 HB2 MET 84 -15.144 -1.433 -0.614 674 HB3 MET 84 HB3 MET 84 -16.036 -2.956 -0.696 675 HG2 MET 84 HG2 MET 84 -16.389 -0.847 -2.823 676 HG3 MET 84 HG3 MET 84 -15.021 -1.966 -2.879 677 HE1 MET 84 HE1 MET 84 -17.826 -1.342 -4.821 678 HE2 MET 84 HE2 MET 84 -16.285 -2.032 -5.384 679 HE3 MET 84 HE3 MET 84 -17.805 -2.921 -5.627 680 H SER 85 H SER 85 -16.689 -0.628 2.080 681 HA SER 85 HA SER 85 -17.784 -3.150 3.150 682 HB2 SER 85 HB2 SER 85 -16.603 -1.580 5.168 683 HB3 SER 85 HB3 SER 85 -15.997 -3.053 4.416 684 HG SER 85 HG SER 85 -14.628 -1.858 3.206 685 H ASP 86 H ASP 86 -18.868 -2.837 5.434 686 HA ASP 86 HA ASP 86 -20.112 -0.208 5.768 687 HB2 ASP 86 HB2 ASP 86 -21.524 -2.622 4.898 688 HB3 ASP 86 HB3 ASP 86 -22.060 -2.204 6.507 689 H ASP 87 H ASP 87 -20.087 -3.541 7.128 690 HA ASP 87 HA ASP 87 -20.388 -2.529 9.720 691 HB2 ASP 87 HB2 ASP 87 -19.637 -5.274 8.701 692 HB3 ASP 87 HB3 ASP 87 -19.729 -4.929 10.428 693 H LYS 88 H LYS 88 -17.508 -3.110 7.955 694 HA LYS 88 HA LYS 88 -15.609 -2.195 9.927 695 HB2 LYS 88 HB2 LYS 88 -14.414 -4.366 10.097 696 HB3 LYS 88 HB3 LYS 88 -16.031 -4.480 10.775 697 HG2 LYS 88 HG2 LYS 88 -16.687 -5.391 8.344 698 HG3 LYS 88 HG3 LYS 88 -14.974 -5.650 8.174 699 HD2 LYS 88 HD2 LYS 88 -15.655 -7.708 9.064 700 HD3 LYS 88 HD3 LYS 88 -15.257 -6.843 10.572 701 HE2 LYS 88 HE2 LYS 88 -17.758 -6.017 10.412 702 HE3 LYS 88 HE3 LYS 88 -17.952 -7.336 9.256 703 HZ1 LYS 88 HZ1 LYS 88 -18.599 -8.027 11.388 704 HZ2 LYS 88 HZ2 LYS 88 -17.174 -7.569 12.098 705 HZ3 LYS 88 HZ3 LYS 88 -17.206 -8.848 11.085 706 H ILE 89 H ILE 89 -13.348 -2.284 8.813 707 HA ILE 89 HA ILE 89 -13.767 -1.491 6.061 708 HB ILE 89 HB ILE 89 -11.231 -1.683 7.710 709 HG12 ILE 89 HG12 ILE 89 -12.047 1.034 7.118 710 HG13 ILE 89 HG13 ILE 89 -13.445 0.216 7.815 711 HG21 ILE 89 HG21 ILE 89 -11.719 -0.326 5.023 712 HG22 ILE 89 HG22 ILE 89 -10.296 -0.047 6.065 713 HG23 ILE 89 HG23 ILE 89 -10.595 -1.647 5.402 714 HD11 ILE 89 HD11 ILE 89 -10.641 0.206 8.976 715 HD12 ILE 89 HD12 ILE 89 -11.951 1.317 9.466 716 HD13 ILE 89 HD13 ILE 89 -12.112 -0.433 9.762 717 H GLN 90 H GLN 90 -14.581 -3.450 5.213 718 HA GLN 90 HA GLN 90 -12.683 -5.558 4.476 719 HB2 GLN 90 HB2 GLN 90 -15.383 -4.796 3.246 720 HB3 GLN 90 HB3 GLN 90 -14.355 -6.118 2.745 721 HG2 GLN 90 HG2 GLN 90 -14.553 -6.867 5.296 722 HG3 GLN 90 HG3 GLN 90 -15.961 -5.877 5.301 723 HE21 GLN 90 HE21 GLN 90 -14.333 -8.349 3.279 724 HE22 GLN 90 HE22 GLN 90 -15.805 -9.093 2.657 725 HA PRO 91 HA PRO 91 -10.969 -3.053 1.090 726 HB2 PRO 91 HB2 PRO 91 -9.636 -4.971 -0.292 727 HB3 PRO 91 HB3 PRO 91 -9.093 -4.423 1.297 728 HG2 PRO 91 HG2 PRO 91 -10.716 -6.897 0.690 729 HG3 PRO 91 HG3 PRO 91 -9.320 -6.736 1.792 730 HD2 PRO 91 HD2 PRO 91 -11.965 -6.698 2.535 731 HD3 PRO 91 HD3 PRO 91 -10.701 -5.847 3.477 732 H ALA 92 H ALA 92 -10.717 -3.339 -1.405 733 HA ALA 92 HA ALA 92 -13.147 -3.660 -2.706 734 HB1 ALA 92 HB1 ALA 92 -10.323 -4.035 -3.810 735 HB2 ALA 92 HB2 ALA 92 -11.765 -3.836 -4.815 736 HB3 ALA 92 HB3 ALA 92 -11.240 -2.523 -3.753 737 H SER 93 H SER 93 -10.618 -6.090 -2.067 738 HA SER 93 HA SER 93 -12.404 -8.215 -1.960 739 HB2 SER 93 HB2 SER 93 -12.099 -7.854 -4.531 740 HB3 SER 93 HB3 SER 93 -10.522 -8.612 -4.322 741 HG SER 93 HG SER 93 -11.569 -10.501 -3.962 742 H ALA 94 H ALA 94 -10.842 -10.283 -2.028 743 HA ALA 94 HA ALA 94 -9.371 -10.099 0.292 744 HB1 ALA 94 HB1 ALA 94 -8.502 -12.326 -0.142 745 HB2 ALA 94 HB2 ALA 94 -10.211 -12.222 -0.591 746 HB3 ALA 94 HB3 ALA 94 -8.945 -12.205 -1.853 747 H VAL 95 H VAL 95 -7.710 -8.682 0.616 748 HA VAL 95 HA VAL 95 -5.578 -8.407 -1.414 749 HB VAL 95 HB VAL 95 -4.681 -6.655 0.042 750 HG11 VAL 95 HG11 VAL 95 -6.332 -4.990 -0.456 751 HG12 VAL 95 HG12 VAL 95 -6.385 -6.194 -1.746 752 HG13 VAL 95 HG13 VAL 95 -7.626 -6.185 -0.481 753 HG21 VAL 95 HG21 VAL 95 -5.386 -7.375 2.275 754 HG22 VAL 95 HG22 VAL 95 -5.995 -5.752 1.941 755 HG23 VAL 95 HG23 VAL 95 -7.087 -7.141 1.850 756 H ASN 96 H ASN 96 -3.388 -8.823 -0.945 757 HA ASN 96 HA ASN 96 -2.830 -10.835 1.174 758 HB2 ASN 96 HB2 ASN 96 -1.937 -10.836 -1.283 759 HB3 ASN 96 HB3 ASN 96 -0.836 -9.576 -0.699 760 HD21 ASN 96 HD21 ASN 96 0.951 -10.812 -1.258 761 HD22 ASN 96 HD22 ASN 96 1.423 -12.234 -0.402 762 H VAL 97 H VAL 97 -2.665 -9.797 3.172 763 HA VAL 97 HA VAL 97 -2.529 -6.956 3.158 764 HB VAL 97 HB VAL 97 -3.982 -8.576 4.508 765 HG11 VAL 97 HG11 VAL 97 -2.003 -8.185 6.719 766 HG12 VAL 97 HG12 VAL 97 -3.482 -9.119 6.685 767 HG13 VAL 97 HG13 VAL 97 -2.047 -9.663 5.737 768 HG21 VAL 97 HG21 VAL 97 -4.339 -6.880 6.269 769 HG22 VAL 97 HG22 VAL 97 -2.833 -6.085 5.792 770 HG23 VAL 97 HG23 VAL 97 -4.189 -6.148 4.647 771 H ILE 98 H ILE 98 -0.073 -7.838 2.254 772 HA ILE 98 HA ILE 98 1.827 -8.662 4.127 773 HB ILE 98 HB ILE 98 3.395 -8.376 2.227 774 HG12 ILE 98 HG12 ILE 98 1.078 -6.854 0.950 775 HG13 ILE 98 HG13 ILE 98 2.721 -6.290 1.251 776 HG21 ILE 98 HG21 ILE 98 1.725 -10.298 2.520 777 HG22 ILE 98 HG22 ILE 98 0.745 -9.491 1.289 778 HG23 ILE 98 HG23 ILE 98 2.390 -10.067 0.907 779 HD11 ILE 98 HD11 ILE 98 1.821 -8.393 -0.749 780 HD12 ILE 98 HD12 ILE 98 2.406 -6.777 -1.098 781 HD13 ILE 98 HD13 ILE 98 3.525 -7.988 -0.410 782 H GLY 99 H GLY 99 0.794 -5.375 3.773 783 HA2 GLY 99 HA2 GLY 99 3.469 -4.453 4.717 784 HA3 GLY 99 HA3 GLY 99 2.323 -3.476 3.807 785 H LYS 100 H LYS 100 3.492 -2.896 6.319 786 HA LYS 100 HA LYS 100 0.932 -2.387 7.778 787 HB2 LYS 100 HB2 LYS 100 2.719 -3.732 8.984 788 HB3 LYS 100 HB3 LYS 100 3.756 -2.278 8.936 789 HG2 LYS 100 HG2 LYS 100 2.042 -1.046 10.255 790 HG3 LYS 100 HG3 LYS 100 0.883 -2.358 10.040 791 HD2 LYS 100 HD2 LYS 100 2.753 -3.801 11.239 792 HD3 LYS 100 HD3 LYS 100 3.296 -2.211 11.820 793 HE2 LYS 100 HE2 LYS 100 1.796 -2.901 13.507 794 HE3 LYS 100 HE3 LYS 100 0.782 -1.884 12.466 795 HZ1 LYS 100 HZ1 LYS 100 0.349 -4.174 11.319 796 HZ2 LYS 100 HZ2 LYS 100 -0.514 -3.703 12.610 797 HZ3 LYS 100 HZ3 LYS 100 0.724 -4.767 12.825 798 H ILE 101 H ILE 101 0.488 -0.200 8.109 799 HA ILE 101 HA ILE 101 2.237 1.866 6.946 800 HB ILE 101 HB ILE 101 -0.327 1.989 8.585 801 HG12 ILE 101 HG12 ILE 101 0.105 2.345 5.600 802 HG13 ILE 101 HG13 ILE 101 -0.806 1.072 6.442 803 HG21 ILE 101 HG21 ILE 101 1.206 4.217 7.105 804 HG22 ILE 101 HG22 ILE 101 -0.285 4.416 8.048 805 HG23 ILE 101 HG23 ILE 101 1.202 3.989 8.866 806 HD11 ILE 101 HD11 ILE 101 -1.623 3.968 6.313 807 HD12 ILE 101 HD12 ILE 101 -2.349 2.600 5.451 808 HD13 ILE 101 HD13 ILE 101 -2.457 2.678 7.214 809 H VAL 102 H VAL 102 4.110 1.705 8.135 810 HA VAL 102 HA VAL 102 3.918 0.970 11.009 811 HB VAL 102 HB VAL 102 6.338 1.068 11.069 812 HG11 VAL 102 HG11 VAL 102 6.734 -0.969 9.870 813 HG12 VAL 102 HG12 VAL 102 5.086 -0.998 10.496 814 HG13 VAL 102 HG13 VAL 102 5.362 -0.657 8.773 815 HG21 VAL 102 HG21 VAL 102 7.722 1.226 9.064 816 HG22 VAL 102 HG22 VAL 102 6.300 1.569 8.064 817 HG23 VAL 102 HG23 VAL 102 6.830 2.733 9.310 818 H GLU 103 H GLU 103 4.449 3.791 8.958 819 HA GLU 103 HA GLU 103 3.798 5.490 11.257 820 HB2 GLU 103 HB2 GLU 103 6.545 5.458 9.953 821 HB3 GLU 103 HB3 GLU 103 5.893 6.961 10.495 822 HG2 GLU 103 HG2 GLU 103 5.429 5.382 12.690 823 HG3 GLU 103 HG3 GLU 103 6.946 4.776 12.001 824 H GLY 104 H GLY 104 3.411 7.697 10.658 825 HA2 GLY 104 HA2 GLY 104 2.843 9.461 9.273 826 HA3 GLY 104 HA3 GLY 104 3.375 8.549 7.870 827 H LEU 105 H LEU 105 1.006 7.296 10.223 828 HA LEU 105 HA LEU 105 -0.817 6.510 8.232 829 HB2 LEU 105 HB2 LEU 105 -0.790 5.620 10.558 830 HB3 LEU 105 HB3 LEU 105 -1.331 7.199 11.162 831 HG LEU 105 HG LEU 105 -3.473 6.939 9.893 832 HD11 LEU 105 HD11 LEU 105 -2.803 5.445 8.072 833 HD12 LEU 105 HD12 LEU 105 -4.072 4.664 9.012 834 HD13 LEU 105 HD13 LEU 105 -2.394 4.165 9.237 835 HD21 LEU 105 HD21 LEU 105 -4.453 5.231 11.360 836 HD22 LEU 105 HD22 LEU 105 -3.308 6.251 12.245 837 HD23 LEU 105 HD23 LEU 105 -2.837 4.609 11.730 838 H GLU 106 H GLU 106 -1.050 9.358 10.382 839 HA GLU 106 HA GLU 106 -3.431 10.275 9.019 840 HB2 GLU 106 HB2 GLU 106 -3.268 12.223 10.525 841 HB3 GLU 106 HB3 GLU 106 -3.210 10.668 11.358 842 HG2 GLU 106 HG2 GLU 106 -0.804 10.800 11.632 843 HG3 GLU 106 HG3 GLU 106 -0.723 12.303 10.693 844 H ASP 107 H ASP 107 -0.051 10.656 8.398 845 HA ASP 107 HA ASP 107 -0.128 13.099 6.907 846 HB2 ASP 107 HB2 ASP 107 1.760 10.731 6.782 847 HB3 ASP 107 HB3 ASP 107 1.890 12.144 5.763 848 H LEU 108 H LEU 108 -1.540 9.987 6.327 849 HA LEU 108 HA LEU 108 -1.595 10.277 3.417 850 HB2 LEU 108 HB2 LEU 108 -3.172 8.471 5.294 851 HB3 LEU 108 HB3 LEU 108 -3.122 8.328 3.543 852 HG LEU 108 HG LEU 108 -0.696 8.056 5.385 853 HD11 LEU 108 HD11 LEU 108 -0.781 5.715 4.870 854 HD12 LEU 108 HD12 LEU 108 -2.227 5.956 3.842 855 HD13 LEU 108 HD13 LEU 108 -2.304 6.229 5.597 856 HD21 LEU 108 HD21 LEU 108 -1.010 7.925 2.365 857 HD22 LEU 108 HD22 LEU 108 0.349 7.168 3.219 858 HD23 LEU 108 HD23 LEU 108 0.106 8.920 3.324 859 H LYS 109 H LYS 109 -3.622 11.417 6.074 860 HA LYS 109 HA LYS 109 -6.023 11.600 4.503 861 HB2 LYS 109 HB2 LYS 109 -5.212 13.031 7.048 862 HB3 LYS 109 HB3 LYS 109 -6.836 12.958 6.370 863 HG2 LYS 109 HG2 LYS 109 -6.806 10.478 6.568 864 HG3 LYS 109 HG3 LYS 109 -5.192 10.562 7.301 865 HD2 LYS 109 HD2 LYS 109 -6.377 12.232 8.961 866 HD3 LYS 109 HD3 LYS 109 -7.855 11.414 8.365 867 HE2 LYS 109 HE2 LYS 109 -6.975 9.264 9.099 868 HE3 LYS 109 HE3 LYS 109 -5.465 10.020 9.608 869 HZ1 LYS 109 HZ1 LYS 109 -8.115 10.378 10.868 870 HZ2 LYS 109 HZ2 LYS 109 -6.847 11.404 11.159 871 HZ3 LYS 109 HZ3 LYS 109 -6.744 9.793 11.522 872 H LYS 110 H LYS 110 -3.170 13.458 4.686 873 HA LYS 110 HA LYS 110 -4.279 15.986 3.576 874 HB2 LYS 110 HB2 LYS 110 -2.037 16.866 4.337 875 HB3 LYS 110 HB3 LYS 110 -3.193 16.419 5.586 876 HG2 LYS 110 HG2 LYS 110 -2.021 14.365 6.109 877 HG3 LYS 110 HG3 LYS 110 -1.093 14.483 4.630 878 HD2 LYS 110 HD2 LYS 110 0.507 15.195 5.929 879 HD3 LYS 110 HD3 LYS 110 -0.269 16.771 5.785 880 HE2 LYS 110 HE2 LYS 110 -1.483 15.493 8.021 881 HE3 LYS 110 HE3 LYS 110 0.227 15.045 8.116 882 HZ1 LYS 110 HZ1 LYS 110 -0.258 17.092 9.285 883 HZ2 LYS 110 HZ2 LYS 110 -0.832 17.784 7.916 884 HZ3 LYS 110 HZ3 LYS 110 0.761 17.404 7.999 885 H ILE 111 H ILE 111 -3.946 13.524 2.032 886 HA ILE 111 HA ILE 111 -2.035 14.420 -0.045 887 HB ILE 111 HB ILE 111 -3.123 11.653 0.603 888 HG12 ILE 111 HG12 ILE 111 -1.599 12.287 2.352 889 HG13 ILE 111 HG13 ILE 111 -0.834 11.087 1.341 890 HG21 ILE 111 HG21 ILE 111 -1.036 12.521 -1.413 891 HG22 ILE 111 HG22 ILE 111 -1.297 10.847 -0.880 892 HG23 ILE 111 HG23 ILE 111 -2.615 11.688 -1.690 893 HD11 ILE 111 HD11 ILE 111 0.793 12.765 1.961 894 HD12 ILE 111 HD12 ILE 111 0.484 12.941 0.227 895 HD13 ILE 111 HD13 ILE 111 -0.232 14.079 1.377 896 H LYS 112 H LYS 112 -2.970 13.992 -2.372 897 HA LYS 112 HA LYS 112 -5.928 14.237 -2.449 898 HB2 LYS 112 HB2 LYS 112 -3.838 15.608 -4.130 899 HB3 LYS 112 HB3 LYS 112 -5.552 15.800 -4.349 900 HG2 LYS 112 HG2 LYS 112 -3.959 16.620 -1.895 901 HG3 LYS 112 HG3 LYS 112 -4.281 17.640 -3.229 902 HD2 LYS 112 HD2 LYS 112 -6.407 16.165 -1.709 903 HD3 LYS 112 HD3 LYS 112 -5.881 17.793 -1.193 904 HE2 LYS 112 HE2 LYS 112 -6.913 18.841 -2.932 905 HE3 LYS 112 HE3 LYS 112 -6.478 17.523 -4.028 906 HZ1 LYS 112 HZ1 LYS 112 -8.920 17.772 -3.611 907 HZ2 LYS 112 HZ2 LYS 112 -8.667 17.399 -2.032 908 HZ3 LYS 112 HZ3 LYS 112 -8.363 16.275 -3.185 909 H ASP 113 H ASP 113 -6.307 14.160 -5.105 910 HA ASP 113 HA ASP 113 -5.915 11.378 -5.782 911 HB2 ASP 113 HB2 ASP 113 -7.955 12.893 -6.181 912 HB3 ASP 113 HB3 ASP 113 -7.059 13.486 -7.585 913 H GLY 114 H GLY 114 -3.567 13.587 -5.944 914 HA2 GLY 114 HA2 GLY 114 -1.986 12.256 -7.808 915 HA3 GLY 114 HA3 GLY 114 -2.775 13.545 -8.720 916 H GLU 115 H GLU 115 -0.858 12.983 -5.742 917 HA GLU 115 HA GLU 115 0.763 15.387 -6.348 918 HB2 GLU 115 HB2 GLU 115 0.153 14.316 -3.563 919 HB3 GLU 115 HB3 GLU 115 1.106 15.679 -3.996 920 HG2 GLU 115 HG2 GLU 115 -1.674 15.926 -4.961 921 HG3 GLU 115 HG3 GLU 115 -1.584 15.648 -3.234 922 H LYS 116 H LYS 116 1.189 12.873 -7.357 923 HA LYS 116 HA LYS 116 2.793 11.213 -7.684 924 HB2 LYS 116 HB2 LYS 116 4.055 13.929 -7.393 925 HB3 LYS 116 HB3 LYS 116 5.125 12.556 -7.609 926 HG2 LYS 116 HG2 LYS 116 4.205 11.939 -9.697 927 HG3 LYS 116 HG3 LYS 116 2.795 12.975 -9.471 928 HD2 LYS 116 HD2 LYS 116 4.300 14.971 -9.441 929 HD3 LYS 116 HD3 LYS 116 5.673 13.908 -9.828 930 HE2 LYS 116 HE2 LYS 116 4.765 13.363 -11.984 931 HE3 LYS 116 HE3 LYS 116 3.180 14.035 -11.564 932 HZ1 LYS 116 HZ1 LYS 116 4.227 16.214 -11.402 933 HZ2 LYS 116 HZ2 LYS 116 4.376 15.583 -12.920 934 HZ3 LYS 116 HZ3 LYS 116 5.660 15.590 -11.926 935 H VAL 117 H VAL 117 2.956 9.583 -6.208 936 HA VAL 117 HA VAL 117 4.396 10.009 -3.675 937 HB VAL 117 HB VAL 117 2.305 8.699 -3.799 938 HG11 VAL 117 HG11 VAL 117 3.643 6.203 -4.755 939 HG12 VAL 117 HG12 VAL 117 1.930 6.689 -4.795 940 HG13 VAL 117 HG13 VAL 117 3.064 7.315 -5.976 941 HG21 VAL 117 HG21 VAL 117 3.044 6.985 -2.255 942 HG22 VAL 117 HG22 VAL 117 4.733 7.237 -2.767 943 HG23 VAL 117 HG23 VAL 117 3.830 8.538 -1.965 944 H ALA 118 H ALA 118 6.620 10.041 -3.863 945 HA ALA 118 HA ALA 118 7.893 8.364 -5.935 946 HB1 ALA 118 HB1 ALA 118 8.601 10.691 -5.939 947 HB2 ALA 118 HB2 ALA 118 8.955 10.643 -4.201 948 HB3 ALA 118 HB3 ALA 118 9.933 9.669 -5.344 949 H VAL 119 H VAL 119 8.129 6.436 -5.224 950 HA VAL 119 HA VAL 119 7.965 5.705 -2.382 951 HB VAL 119 HB VAL 119 8.024 4.090 -4.978 952 HG11 VAL 119 HG11 VAL 119 7.192 2.293 -3.979 953 HG12 VAL 119 HG12 VAL 119 8.386 2.851 -2.809 954 HG13 VAL 119 HG13 VAL 119 6.653 3.148 -2.497 955 HG21 VAL 119 HG21 VAL 119 5.542 3.933 -4.849 956 HG22 VAL 119 HG22 VAL 119 5.579 5.214 -3.613 957 HG23 VAL 119 HG23 VAL 119 6.148 5.531 -5.256 958 H ARG 120 H ARG 120 9.942 5.149 -1.213 959 HA ARG 120 HA ARG 120 12.301 4.150 -2.770 960 HB2 ARG 120 HB2 ARG 120 12.537 6.070 -0.438 961 HB3 ARG 120 HB3 ARG 120 13.801 5.513 -1.535 962 HG2 ARG 120 HG2 ARG 120 12.490 6.691 -3.400 963 HG3 ARG 120 HG3 ARG 120 11.527 7.466 -2.123 964 HD2 ARG 120 HD2 ARG 120 14.535 7.549 -2.440 965 HD3 ARG 120 HD3 ARG 120 13.412 8.833 -2.916 966 HE ARG 120 HE ARG 120 13.159 8.125 -0.100 967 HH11 ARG 120 HH11 ARG 120 15.052 10.218 -2.300 968 HH12 ARG 120 HH12 ARG 120 15.638 11.215 -1.027 969 HH21 ARG 120 HH21 ARG 120 13.882 9.403 1.503 970 HH22 ARG 120 HH22 ARG 120 14.866 10.806 1.214 971 H PHE 121 H PHE 121 14.009 3.151 -1.061 972 HA PHE 121 HA PHE 121 12.720 1.101 0.469 973 HB2 PHE 121 HB2 PHE 121 15.584 2.079 0.142 974 HB3 PHE 121 HB3 PHE 121 15.183 0.749 1.203 975 HD1 PHE 121 HD1 PHE 121 13.629 -1.076 0.256 976 HD2 PHE 121 HD2 PHE 121 15.895 1.623 -2.147 977 HE1 PHE 121 HE1 PHE 121 13.431 -2.651 -1.638 978 HE2 PHE 121 HE2 PHE 121 15.898 -0.046 -4.055 979 HZ PHE 121 HZ PHE 121 14.701 -2.210 -3.778 980 H ALA 122 H ALA 122 13.607 4.094 1.357 981 HA ALA 122 HA ALA 122 13.516 5.338 3.370 982 HB1 ALA 122 HB1 ALA 122 12.004 4.806 4.981 983 HB2 ALA 122 HB2 ALA 122 11.375 4.029 3.496 984 HB3 ALA 122 HB3 ALA 122 12.136 3.058 4.717 985 H SER 123 H SER 123 15.950 4.393 3.101 986 HA SER 123 HA SER 123 17.103 3.041 5.319 987 HB2 SER 123 HB2 SER 123 17.977 4.727 3.057 988 HB3 SER 123 HB3 SER 123 19.074 4.044 4.228 989 HG SER 123 HG SER 123 19.043 2.455 2.850 990 H SER 124 H SER 124 15.336 4.754 6.470 991 HA SER 124 HA SER 124 14.857 6.629 7.617 992 HB2 SER 124 HB2 SER 124 17.478 5.643 8.624 993 HB3 SER 124 HB3 SER 124 17.052 7.279 9.112 994 HG SER 124 HG SER 124 15.246 6.640 10.055 Start of MODEL 5 1 H1 MET 1 H1 MET 1 11.546 -5.785 5.516 2 HA MET 1 HA MET 1 13.300 -4.158 3.793 3 HB2 MET 1 HB2 MET 1 12.688 -6.166 2.600 4 HB3 MET 1 HB3 MET 1 10.967 -5.854 2.867 5 HG2 MET 1 HG2 MET 1 10.927 -4.574 1.065 6 HG3 MET 1 HG3 MET 1 12.101 -3.477 1.743 7 HE1 MET 1 HE1 MET 1 11.674 -6.775 -0.415 8 HE2 MET 1 HE2 MET 1 13.331 -7.052 -0.992 9 HE3 MET 1 HE3 MET 1 12.949 -7.308 0.710 10 H ARG 2 H ARG 2 12.880 -2.142 4.441 11 HA ARG 2 HA ARG 2 10.165 -1.295 5.235 12 HB2 ARG 2 HB2 ARG 2 12.982 -0.167 5.372 13 HB3 ARG 2 HB3 ARG 2 11.672 0.986 5.173 14 HG2 ARG 2 HG2 ARG 2 11.403 -1.136 7.212 15 HG3 ARG 2 HG3 ARG 2 12.484 0.250 7.556 16 HD2 ARG 2 HD2 ARG 2 10.437 1.685 6.864 17 HD3 ARG 2 HD3 ARG 2 9.469 0.218 7.086 18 HE ARG 2 HE ARG 2 10.514 1.978 9.099 19 HH11 ARG 2 HH11 ARG 2 9.992 -1.533 8.610 20 HH12 ARG 2 HH12 ARG 2 10.214 -1.920 10.256 21 HH21 ARG 2 HH21 ARG 2 10.266 1.478 11.390 22 HH22 ARG 2 HH22 ARG 2 10.042 -0.169 11.824 23 H VAL 3 H VAL 3 9.368 0.561 4.277 24 HA VAL 3 HA VAL 3 10.400 1.485 1.711 25 HB VAL 3 HB VAL 3 7.686 0.167 1.936 26 HG11 VAL 3 HG11 VAL 3 7.212 2.227 0.794 27 HG12 VAL 3 HG12 VAL 3 8.590 1.983 -0.305 28 HG13 VAL 3 HG13 VAL 3 7.170 0.901 -0.360 29 HG21 VAL 3 HG21 VAL 3 9.358 -1.417 1.268 30 HG22 VAL 3 HG22 VAL 3 8.559 -0.977 -0.241 31 HG23 VAL 3 HG23 VAL 3 10.159 -0.277 0.172 32 H GLU 4 H GLU 4 9.716 3.626 1.203 33 HA GLU 4 HA GLU 4 8.005 5.047 3.148 34 HB2 GLU 4 HB2 GLU 4 10.327 5.630 3.594 35 HB3 GLU 4 HB3 GLU 4 10.653 5.962 1.899 36 HG2 GLU 4 HG2 GLU 4 9.388 7.931 1.945 37 HG3 GLU 4 HG3 GLU 4 8.522 7.489 3.414 38 H LEU 5 H LEU 5 6.329 6.229 2.044 39 HA LEU 5 HA LEU 5 6.367 6.237 -0.834 40 HB2 LEU 5 HB2 LEU 5 4.160 6.301 1.282 41 HB3 LEU 5 HB3 LEU 5 3.927 6.326 -0.444 42 HG LEU 5 HG LEU 5 4.899 3.995 1.275 43 HD11 LEU 5 HD11 LEU 5 2.355 4.628 -0.256 44 HD12 LEU 5 HD12 LEU 5 2.556 4.215 1.453 45 HD13 LEU 5 HD13 LEU 5 2.770 2.978 0.199 46 HD21 LEU 5 HD21 LEU 5 4.667 4.200 -1.727 47 HD22 LEU 5 HD22 LEU 5 4.911 2.671 -0.841 48 HD23 LEU 5 HD23 LEU 5 6.154 3.927 -0.791 49 H LEU 6 H LEU 6 6.665 8.325 -1.454 50 HA LEU 6 HA LEU 6 6.509 10.534 0.556 51 HB2 LEU 6 HB2 LEU 6 8.696 9.309 -0.489 52 HB3 LEU 6 HB3 LEU 6 8.273 10.275 -1.878 53 HG LEU 6 HG LEU 6 8.994 11.365 0.874 54 HD11 LEU 6 HD11 LEU 6 10.760 10.352 -0.648 55 HD12 LEU 6 HD12 LEU 6 10.978 12.102 -0.308 56 HD13 LEU 6 HD13 LEU 6 10.313 11.546 -1.874 57 HD21 LEU 6 HD21 LEU 6 8.022 12.685 -1.705 58 HD22 LEU 6 HD22 LEU 6 8.983 13.593 -0.476 59 HD23 LEU 6 HD23 LEU 6 7.415 12.919 -0.053 60 H PHE 7 H PHE 7 5.523 12.392 -0.225 61 HA PHE 7 HA PHE 7 4.413 12.227 -3.014 62 HB2 PHE 7 HB2 PHE 7 2.942 13.320 -0.631 63 HB3 PHE 7 HB3 PHE 7 2.326 12.754 -2.175 64 HD1 PHE 7 HD1 PHE 7 2.693 10.334 -2.676 65 HD2 PHE 7 HD2 PHE 7 3.168 11.771 1.304 66 HE1 PHE 7 HE1 PHE 7 2.197 8.111 -1.760 67 HE2 PHE 7 HE2 PHE 7 2.851 9.482 2.239 68 HZ PHE 7 HZ PHE 7 2.319 7.611 0.688 69 H GLU 8 H GLU 8 3.493 14.489 -3.704 70 HA GLU 8 HA GLU 8 5.469 16.516 -3.405 71 HB2 GLU 8 HB2 GLU 8 2.539 16.794 -4.144 72 HB3 GLU 8 HB3 GLU 8 3.757 18.037 -4.386 73 HG2 GLU 8 HG2 GLU 8 4.529 15.425 -5.601 74 HG3 GLU 8 HG3 GLU 8 2.992 16.016 -6.143 75 H SER 9 H SER 9 2.519 15.928 -1.571 76 HA SER 9 HA SER 9 2.873 18.392 0.003 77 HB2 SER 9 HB2 SER 9 0.564 16.435 -0.425 78 HB3 SER 9 HB3 SER 9 0.506 17.744 0.767 79 HG SER 9 HG SER 9 -0.287 18.414 -1.274 80 H GLY 10 H GLY 10 3.983 15.173 0.546 81 HA2 GLY 10 HA2 GLY 10 4.488 15.506 3.316 82 HA3 GLY 10 HA3 GLY 10 2.922 14.668 3.107 83 H LYS 11 H LYS 11 4.093 12.805 4.233 84 HA LYS 11 HA LYS 11 4.870 10.925 2.231 85 HB2 LYS 11 HB2 LYS 11 7.053 10.308 2.990 86 HB3 LYS 11 HB3 LYS 11 6.985 11.938 2.347 87 HG2 LYS 11 HG2 LYS 11 6.749 12.663 4.877 88 HG3 LYS 11 HG3 LYS 11 7.345 11.050 5.228 89 HD2 LYS 11 HD2 LYS 11 9.427 11.426 4.211 90 HD3 LYS 11 HD3 LYS 11 8.846 12.767 3.219 91 HE2 LYS 11 HE2 LYS 11 8.519 13.343 6.070 92 HE3 LYS 11 HE3 LYS 11 10.192 12.966 5.682 93 HZ1 LYS 11 HZ1 LYS 11 8.666 14.935 4.072 94 HZ2 LYS 11 HZ2 LYS 11 10.309 14.735 4.217 95 HZ3 LYS 11 HZ3 LYS 11 9.492 15.340 5.464 96 H CYS 12 H CYS 12 5.146 8.800 3.141 97 HA CYS 12 HA CYS 12 4.685 8.470 6.034 98 HB2 CYS 12 HB2 CYS 12 2.763 7.074 5.902 99 HB3 CYS 12 HB3 CYS 12 2.427 8.467 4.910 100 HG CYS 12 HG CYS 12 1.441 6.770 3.387 101 H VAL 13 H VAL 13 4.626 5.914 6.451 102 HA VAL 13 HA VAL 13 6.814 4.645 4.855 103 HB VAL 13 HB VAL 13 6.765 4.603 7.859 104 HG11 VAL 13 HG11 VAL 13 9.037 4.061 5.908 105 HG12 VAL 13 HG12 VAL 13 9.091 3.858 7.671 106 HG13 VAL 13 HG13 VAL 13 8.055 2.807 6.693 107 HG21 VAL 13 HG21 VAL 13 8.264 6.567 6.108 108 HG22 VAL 13 HG22 VAL 13 7.115 6.896 7.440 109 HG23 VAL 13 HG23 VAL 13 8.709 6.227 7.801 110 H ILE 14 H ILE 14 6.429 2.480 4.435 111 HA ILE 14 HA ILE 14 4.390 1.156 6.040 112 HB ILE 14 HB ILE 14 3.417 0.167 4.081 113 HG12 ILE 14 HG12 ILE 14 5.124 2.000 2.344 114 HG13 ILE 14 HG13 ILE 14 5.433 0.280 2.568 115 HG21 ILE 14 HG21 ILE 14 3.428 3.213 3.759 116 HG22 ILE 14 HG22 ILE 14 2.130 2.090 3.328 117 HG23 ILE 14 HG23 ILE 14 2.536 2.337 5.021 118 HD11 ILE 14 HD11 ILE 14 3.447 -0.383 1.476 119 HD12 ILE 14 HD12 ILE 14 2.782 1.240 1.460 120 HD13 ILE 14 HD13 ILE 14 4.198 0.859 0.458 121 H ASP 15 H ASP 15 4.820 -0.918 6.436 122 HA ASP 15 HA ASP 15 7.443 -1.982 5.362 123 HB2 ASP 15 HB2 ASP 15 6.974 -1.091 7.892 124 HB3 ASP 15 HB3 ASP 15 6.145 -2.597 8.093 125 H LEU 16 H LEU 16 7.755 -3.776 4.483 126 HA LEU 16 HA LEU 16 5.428 -5.579 4.490 127 HB2 LEU 16 HB2 LEU 16 7.383 -5.390 2.234 128 HB3 LEU 16 HB3 LEU 16 5.672 -5.746 2.237 129 HG LEU 16 HG LEU 16 6.094 -3.724 1.174 130 HD11 LEU 16 HD11 LEU 16 4.541 -2.218 2.060 131 HD12 LEU 16 HD12 LEU 16 4.724 -2.894 3.685 132 HD13 LEU 16 HD13 LEU 16 4.005 -3.879 2.373 133 HD21 LEU 16 HD21 LEU 16 7.317 -2.257 3.351 134 HD22 LEU 16 HD22 LEU 16 7.116 -1.893 1.631 135 HD23 LEU 16 HD23 LEU 16 8.212 -3.220 2.136 136 H ASN 17 H ASN 17 5.626 -7.563 4.869 137 HA ASN 17 HA ASN 17 8.034 -8.650 6.030 138 HB2 ASN 17 HB2 ASN 17 5.692 -9.301 6.752 139 HB3 ASN 17 HB3 ASN 17 5.571 -10.213 5.251 140 HD21 ASN 17 HD21 ASN 17 5.595 -12.421 5.986 141 HD22 ASN 17 HD22 ASN 17 6.904 -13.022 6.974 142 H GLU 18 H GLU 18 9.729 -9.655 5.047 143 HA GLU 18 HA GLU 18 9.835 -9.871 2.218 144 HB2 GLU 18 HB2 GLU 18 11.681 -10.530 4.517 145 HB3 GLU 18 HB3 GLU 18 12.149 -10.909 2.852 146 HG2 GLU 18 HG2 GLU 18 11.745 -8.543 2.208 147 HG3 GLU 18 HG3 GLU 18 11.410 -8.146 3.894 148 H GLU 19 H GLU 19 7.979 -11.994 3.653 149 HA GLU 19 HA GLU 19 9.417 -14.483 2.845 150 HB2 GLU 19 HB2 GLU 19 6.910 -14.044 4.525 151 HB3 GLU 19 HB3 GLU 19 7.440 -15.610 3.920 152 HG2 GLU 19 HG2 GLU 19 9.771 -14.923 5.026 153 HG3 GLU 19 HG3 GLU 19 8.753 -13.864 6.003 154 H TYR 20 H TYR 20 7.497 -12.128 1.530 155 HA TYR 20 HA TYR 20 5.744 -13.981 0.026 156 HB2 TYR 20 HB2 TYR 20 5.558 -10.965 0.292 157 HB3 TYR 20 HB3 TYR 20 4.369 -12.064 -0.322 158 HD1 TYR 20 HD1 TYR 20 3.912 -14.160 1.591 159 HD2 TYR 20 HD2 TYR 20 4.779 -9.987 2.275 160 HE1 TYR 20 HE1 TYR 20 2.724 -14.260 3.783 161 HE2 TYR 20 HE2 TYR 20 3.572 -10.071 4.417 162 HH TYR 20 HH TYR 20 2.718 -11.599 6.105 163 H GLU 21 H GLU 21 5.747 -14.085 -2.117 164 HA GLU 21 HA GLU 21 7.796 -13.580 -3.860 165 HB2 GLU 21 HB2 GLU 21 5.659 -14.847 -4.203 166 HB3 GLU 21 HB3 GLU 21 4.807 -13.335 -4.413 167 HG2 GLU 21 HG2 GLU 21 5.261 -14.149 -6.616 168 HG3 GLU 21 HG3 GLU 21 6.343 -12.782 -6.361 169 H VAL 22 H VAL 22 4.966 -11.438 -3.426 170 HA VAL 22 HA VAL 22 5.924 -9.586 -5.270 171 HB VAL 22 HB VAL 22 3.588 -9.802 -4.723 172 HG11 VAL 22 HG11 VAL 22 2.548 -9.181 -2.630 173 HG12 VAL 22 HG12 VAL 22 3.656 -10.521 -2.402 174 HG13 VAL 22 HG13 VAL 22 4.146 -8.894 -1.902 175 HG21 VAL 22 HG21 VAL 22 4.499 -7.040 -3.812 176 HG22 VAL 22 HG22 VAL 22 4.217 -7.558 -5.490 177 HG23 VAL 22 HG23 VAL 22 2.876 -7.496 -4.327 178 H VAL 23 H VAL 23 6.612 -9.694 -1.783 179 HA VAL 23 HA VAL 23 7.586 -6.972 -1.592 180 HB VAL 23 HB VAL 23 7.942 -9.477 0.101 181 HG11 VAL 23 HG11 VAL 23 8.859 -6.637 0.751 182 HG12 VAL 23 HG12 VAL 23 8.747 -7.959 1.899 183 HG13 VAL 23 HG13 VAL 23 9.890 -8.071 0.557 184 HG21 VAL 23 HG21 VAL 23 6.265 -6.933 0.367 185 HG22 VAL 23 HG22 VAL 23 5.653 -8.564 0.037 186 HG23 VAL 23 HG23 VAL 23 6.381 -8.203 1.606 187 H LYS 24 H LYS 24 9.129 -10.194 -2.282 188 HA LYS 24 HA LYS 24 11.759 -9.200 -2.724 189 HB2 LYS 24 HB2 LYS 24 10.387 -11.514 -4.137 190 HB3 LYS 24 HB3 LYS 24 12.105 -11.305 -3.892 191 HG2 LYS 24 HG2 LYS 24 12.021 -11.891 -1.624 192 HG3 LYS 24 HG3 LYS 24 10.307 -11.575 -1.458 193 HD2 LYS 24 HD2 LYS 24 9.709 -13.403 -2.899 194 HD3 LYS 24 HD3 LYS 24 11.386 -13.799 -3.230 195 HE2 LYS 24 HE2 LYS 24 10.322 -13.802 -0.379 196 HE3 LYS 24 HE3 LYS 24 9.965 -15.149 -1.474 197 HZ1 LYS 24 HZ1 LYS 24 12.673 -14.272 -0.743 198 HZ2 LYS 24 HZ2 LYS 24 12.304 -15.481 -1.807 199 HZ3 LYS 24 HZ3 LYS 24 11.904 -15.619 -0.214 200 H LEU 25 H LEU 25 8.906 -9.476 -5.071 201 HA LEU 25 HA LEU 25 10.503 -8.886 -7.356 202 HB2 LEU 25 HB2 LEU 25 7.554 -8.777 -6.626 203 HB3 LEU 25 HB3 LEU 25 8.141 -8.275 -8.194 204 HG LEU 25 HG LEU 25 7.279 -10.767 -7.554 205 HD11 LEU 25 HD11 LEU 25 9.290 -9.996 -9.671 206 HD12 LEU 25 HD12 LEU 25 7.532 -9.761 -9.803 207 HD13 LEU 25 HD13 LEU 25 8.201 -11.401 -9.758 208 HD21 LEU 25 HD21 LEU 25 9.140 -12.329 -7.881 209 HD22 LEU 25 HD22 LEU 25 9.010 -11.601 -6.294 210 HD23 LEU 25 HD23 LEU 25 10.268 -11.043 -7.431 211 H LEU 26 H LEU 26 8.587 -6.974 -5.111 212 HA LEU 26 HA LEU 26 8.501 -4.496 -6.373 213 HB2 LEU 26 HB2 LEU 26 8.236 -5.636 -3.649 214 HB3 LEU 26 HB3 LEU 26 8.979 -4.106 -3.593 215 HG LEU 26 HG LEU 26 6.225 -4.797 -4.693 216 HD11 LEU 26 HD11 LEU 26 5.528 -3.202 -2.868 217 HD12 LEU 26 HD12 LEU 26 7.206 -3.176 -2.306 218 HD13 LEU 26 HD13 LEU 26 6.269 -4.696 -2.303 219 HD21 LEU 26 HD21 LEU 26 6.986 -3.031 -6.142 220 HD22 LEU 26 HD22 LEU 26 7.626 -2.090 -4.814 221 HD23 LEU 26 HD23 LEU 26 5.862 -2.326 -5.000 222 H LYS 27 H LYS 27 11.166 -6.026 -4.558 223 HA LYS 27 HA LYS 27 12.654 -3.630 -4.118 224 HB2 LYS 27 HB2 LYS 27 13.156 -5.432 -2.718 225 HB3 LYS 27 HB3 LYS 27 13.211 -6.589 -4.044 226 HG2 LYS 27 HG2 LYS 27 15.320 -5.679 -4.845 227 HG3 LYS 27 HG3 LYS 27 15.361 -4.509 -3.518 228 HD2 LYS 27 HD2 LYS 27 15.807 -6.196 -1.915 229 HD3 LYS 27 HD3 LYS 27 14.988 -7.435 -2.876 230 HE2 LYS 27 HE2 LYS 27 16.888 -6.942 -4.643 231 HE3 LYS 27 HE3 LYS 27 17.755 -6.287 -3.257 232 HZ1 LYS 27 HZ1 LYS 27 17.544 -8.430 -2.199 233 HZ2 LYS 27 HZ2 LYS 27 18.202 -8.646 -3.700 234 HZ3 LYS 27 HZ3 LYS 27 16.606 -9.007 -3.427 235 H GLU 28 H GLU 28 12.410 -5.769 -6.893 236 HA GLU 28 HA GLU 28 14.834 -4.805 -8.225 237 HB2 GLU 28 HB2 GLU 28 12.370 -6.306 -9.159 238 HB3 GLU 28 HB3 GLU 28 13.702 -5.934 -10.240 239 HG2 GLU 28 HG2 GLU 28 14.280 -7.395 -7.644 240 HG3 GLU 28 HG3 GLU 28 13.547 -8.240 -8.980 241 H LYS 29 H LYS 29 11.815 -3.434 -7.572 242 HA LYS 29 HA LYS 29 11.942 -1.543 -9.864 243 HB2 LYS 29 HB2 LYS 29 9.531 -2.901 -8.588 244 HB3 LYS 29 HB3 LYS 29 9.474 -1.626 -9.815 245 HG2 LYS 29 HG2 LYS 29 10.557 -4.422 -10.257 246 HG3 LYS 29 HG3 LYS 29 8.968 -3.781 -10.719 247 HD2 LYS 29 HD2 LYS 29 10.800 -1.925 -11.794 248 HD3 LYS 29 HD3 LYS 29 11.543 -3.495 -12.109 249 HE2 LYS 29 HE2 LYS 29 9.761 -4.223 -13.442 250 HE3 LYS 29 HE3 LYS 29 8.586 -3.224 -12.611 251 HZ1 LYS 29 HZ1 LYS 29 10.560 -2.241 -14.568 252 HZ2 LYS 29 HZ2 LYS 29 9.614 -1.266 -13.656 253 HZ3 LYS 29 HZ3 LYS 29 8.906 -2.261 -14.730 254 H ILE 30 H ILE 30 13.085 -1.181 -7.121 255 HA ILE 30 HA ILE 30 11.474 1.172 -6.401 256 HB ILE 30 HB ILE 30 12.500 -0.936 -4.513 257 HG12 ILE 30 HG12 ILE 30 9.795 0.479 -4.557 258 HG13 ILE 30 HG13 ILE 30 10.095 -0.989 -5.454 259 HG21 ILE 30 HG21 ILE 30 13.209 1.372 -3.655 260 HG22 ILE 30 HG22 ILE 30 11.482 1.789 -3.573 261 HG23 ILE 30 HG23 ILE 30 12.156 0.479 -2.591 262 HD11 ILE 30 HD11 ILE 30 9.087 -1.579 -3.326 263 HD12 ILE 30 HD12 ILE 30 10.754 -2.162 -3.382 264 HD13 ILE 30 HD13 ILE 30 10.327 -0.712 -2.436 265 HA PRO 31 HA PRO 31 11.974 3.085 -5.202 266 HB2 PRO 31 HB2 PRO 31 12.885 5.511 -6.323 267 HB3 PRO 31 HB3 PRO 31 13.066 4.958 -4.635 268 HG2 PRO 31 HG2 PRO 31 15.070 5.025 -6.804 269 HG3 PRO 31 HG3 PRO 31 15.278 5.061 -5.013 270 HD2 PRO 31 HD2 PRO 31 15.725 2.821 -6.661 271 HD3 PRO 31 HD3 PRO 31 15.420 2.766 -4.905 272 H PHE 32 H PHE 32 10.254 4.295 -6.283 273 HA PHE 32 HA PHE 32 10.359 4.602 -9.080 274 HB2 PHE 32 HB2 PHE 32 8.572 3.310 -9.858 275 HB3 PHE 32 HB3 PHE 32 9.648 2.223 -9.019 276 HD1 PHE 32 HD1 PHE 32 9.020 1.560 -6.601 277 HD2 PHE 32 HD2 PHE 32 6.264 3.384 -9.334 278 HE1 PHE 32 HE1 PHE 32 7.101 0.441 -5.437 279 HE2 PHE 32 HE2 PHE 32 4.345 2.401 -8.085 280 HZ PHE 32 HZ PHE 32 4.788 0.908 -6.120 281 H GLU 33 H GLU 33 8.362 5.824 -9.891 282 HA GLU 33 HA GLU 33 6.936 7.225 -7.673 283 HB2 GLU 33 HB2 GLU 33 7.840 8.215 -10.368 284 HB3 GLU 33 HB3 GLU 33 6.670 9.088 -9.368 285 HG2 GLU 33 HG2 GLU 33 8.426 9.351 -7.633 286 HG3 GLU 33 HG3 GLU 33 9.549 8.448 -8.630 287 H SER 34 H SER 34 4.650 7.867 -8.367 288 HA SER 34 HA SER 34 3.500 6.721 -10.699 289 HB2 SER 34 HB2 SER 34 3.920 4.685 -9.018 290 HB3 SER 34 HB3 SER 34 2.473 5.342 -8.249 291 HG SER 34 HG SER 34 2.859 4.611 -10.983 292 H VAL 35 H VAL 35 0.948 6.795 -10.420 293 HA VAL 35 HA VAL 35 0.287 9.456 -9.391 294 HB VAL 35 HB VAL 35 -1.574 7.294 -10.521 295 HG11 VAL 35 HG11 VAL 35 -2.986 9.329 -10.973 296 HG12 VAL 35 HG12 VAL 35 -2.650 9.074 -9.254 297 HG13 VAL 35 HG13 VAL 35 -1.755 10.315 -10.120 298 HG21 VAL 35 HG21 VAL 35 -1.415 8.552 -12.670 299 HG22 VAL 35 HG22 VAL 35 -0.076 9.519 -12.006 300 HG23 VAL 35 HG23 VAL 35 0.090 7.770 -12.226 301 H VAL 36 H VAL 36 -0.416 9.770 -7.321 302 HA VAL 36 HA VAL 36 -0.996 7.528 -5.603 303 HB VAL 36 HB VAL 36 -1.206 10.509 -4.978 304 HG11 VAL 36 HG11 VAL 36 -0.524 9.699 -2.744 305 HG12 VAL 36 HG12 VAL 36 -2.064 8.943 -3.371 306 HG13 VAL 36 HG13 VAL 36 -0.400 8.073 -3.387 307 HG21 VAL 36 HG21 VAL 36 0.979 10.642 -5.552 308 HG22 VAL 36 HG22 VAL 36 1.225 8.924 -5.426 309 HG23 VAL 36 HG23 VAL 36 1.172 9.885 -3.941 310 H ASN 37 H ASN 37 -2.981 6.764 -6.753 311 HA ASN 37 HA ASN 37 -5.223 8.582 -7.087 312 HB2 ASN 37 HB2 ASN 37 -5.150 5.558 -7.069 313 HB3 ASN 37 HB3 ASN 37 -6.496 6.554 -7.598 314 HD21 ASN 37 HD21 ASN 37 -3.376 5.295 -8.455 315 HD22 ASN 37 HD22 ASN 37 -3.474 5.638 -10.171 316 H THR 38 H THR 38 -7.331 8.079 -5.968 317 HA THR 38 HA THR 38 -7.039 7.166 -3.157 318 HB THR 38 HB THR 38 -8.349 9.111 -2.478 319 HG1 THR 38 HG1 THR 38 -8.102 9.745 -5.195 320 HG21 THR 38 HG21 THR 38 -5.577 9.586 -3.525 321 HG22 THR 38 HG22 THR 38 -6.221 9.541 -1.868 322 HG23 THR 38 HG23 THR 38 -6.526 10.936 -2.893 323 H TRP 39 H TRP 39 -9.168 6.538 -2.159 324 HA TRP 39 HA TRP 39 -11.567 6.504 -3.819 325 HB2 TRP 39 HB2 TRP 39 -10.518 4.540 -4.699 326 HB3 TRP 39 HB3 TRP 39 -10.019 3.991 -3.109 327 HD1 TRP 39 HD1 TRP 39 -13.474 4.907 -4.575 328 HE1 TRP 39 HE1 TRP 39 -15.112 2.957 -4.134 329 HE3 TRP 39 HE3 TRP 39 -10.297 1.678 -2.249 330 HZ2 TRP 39 HZ2 TRP 39 -15.094 0.454 -2.741 331 HZ3 TRP 39 HZ3 TRP 39 -11.120 -0.497 -1.368 332 HH2 TRP 39 HH2 TRP 39 -13.494 -1.126 -1.615 333 H GLY 40 H GLY 40 -12.595 7.614 -2.289 334 HA2 GLY 40 HA2 GLY 40 -13.930 7.845 -0.564 335 HA3 GLY 40 HA3 GLY 40 -13.599 6.178 -0.106 336 H GLU 41 H GLU 41 -11.147 6.043 0.859 337 HA GLU 41 HA GLU 41 -10.222 8.143 2.457 338 HB2 GLU 41 HB2 GLU 41 -12.585 7.077 3.529 339 HB3 GLU 41 HB3 GLU 41 -11.379 6.131 4.378 340 HG2 GLU 41 HG2 GLU 41 -10.318 8.120 5.229 341 HG3 GLU 41 HG3 GLU 41 -11.142 9.143 4.050 342 H GLU 42 H GLU 42 -9.063 6.516 0.602 343 HA GLU 42 HA GLU 42 -7.064 5.063 2.070 344 HB2 GLU 42 HB2 GLU 42 -7.739 2.911 1.621 345 HB3 GLU 42 HB3 GLU 42 -9.294 3.626 1.530 346 HG2 GLU 42 HG2 GLU 42 -9.367 2.435 -0.370 347 HG3 GLU 42 HG3 GLU 42 -8.801 3.944 -1.089 348 H ILE 43 H ILE 43 -5.403 4.228 0.267 349 HA ILE 43 HA ILE 43 -5.428 5.985 -2.131 350 HB ILE 43 HB ILE 43 -3.369 5.944 0.071 351 HG12 ILE 43 HG12 ILE 43 -4.555 8.284 -1.460 352 HG13 ILE 43 HG13 ILE 43 -5.326 7.641 -0.012 353 HG21 ILE 43 HG21 ILE 43 -1.815 7.166 -1.346 354 HG22 ILE 43 HG22 ILE 43 -2.134 5.604 -2.087 355 HG23 ILE 43 HG23 ILE 43 -2.930 7.024 -2.744 356 HD11 ILE 43 HD11 ILE 43 -2.700 9.070 -0.271 357 HD12 ILE 43 HD12 ILE 43 -4.085 9.448 0.758 358 HD13 ILE 43 HD13 ILE 43 -3.065 8.055 1.155 359 H TYR 44 H TYR 44 -4.722 4.932 -3.930 360 HA TYR 44 HA TYR 44 -2.961 2.577 -3.592 361 HB2 TYR 44 HB2 TYR 44 -4.052 1.311 -5.280 362 HB3 TYR 44 HB3 TYR 44 -5.177 1.655 -3.987 363 HD1 TYR 44 HD1 TYR 44 -4.310 2.451 -7.547 364 HD2 TYR 44 HD2 TYR 44 -7.249 2.876 -4.424 365 HE1 TYR 44 HE1 TYR 44 -5.860 3.531 -9.141 366 HE2 TYR 44 HE2 TYR 44 -8.726 4.100 -5.949 367 HH TYR 44 HH TYR 44 -8.602 5.414 -8.071 368 H PHE 45 H PHE 45 -1.626 2.164 -5.563 369 HA PHE 45 HA PHE 45 -1.647 4.214 -7.641 370 HB2 PHE 45 HB2 PHE 45 0.925 4.302 -7.417 371 HB3 PHE 45 HB3 PHE 45 -0.015 5.358 -6.398 372 HD1 PHE 45 HD1 PHE 45 2.058 2.291 -6.414 373 HD2 PHE 45 HD2 PHE 45 -0.162 5.170 -4.068 374 HE1 PHE 45 HE1 PHE 45 3.259 1.545 -4.335 375 HE2 PHE 45 HE2 PHE 45 1.028 4.443 -2.030 376 HZ PHE 45 HZ PHE 45 2.788 2.684 -2.171 377 H SER 46 H SER 46 -0.378 3.570 -9.495 378 HA SER 46 HA SER 46 -0.775 0.747 -10.029 379 HB2 SER 46 HB2 SER 46 0.277 1.562 -12.251 380 HB3 SER 46 HB3 SER 46 -1.318 2.152 -11.778 381 HG SER 46 HG SER 46 0.987 3.605 -11.046 382 H THR 47 H THR 47 0.702 -0.593 -8.909 383 HA THR 47 HA THR 47 3.489 0.190 -8.790 384 HB THR 47 HB THR 47 3.916 -1.984 -7.920 385 HG1 THR 47 HG1 THR 47 2.356 -3.196 -9.148 386 HG21 THR 47 HG21 THR 47 2.951 -0.260 -6.369 387 HG22 THR 47 HG22 THR 47 2.564 -1.916 -5.868 388 HG23 THR 47 HG23 THR 47 1.335 -0.915 -6.658 389 HA PRO 48 HA PRO 48 4.626 -1.305 -12.807 390 HB2 PRO 48 HB2 PRO 48 7.320 -1.531 -12.465 391 HB3 PRO 48 HB3 PRO 48 6.510 0.052 -12.572 392 HG2 PRO 48 HG2 PRO 48 7.373 -1.478 -10.142 393 HG3 PRO 48 HG3 PRO 48 7.625 0.275 -10.482 394 HD2 PRO 48 HD2 PRO 48 5.604 -0.678 -8.889 395 HD3 PRO 48 HD3 PRO 48 5.356 0.733 -9.929 396 H VAL 49 H VAL 49 5.551 -3.004 -9.821 397 HA VAL 49 HA VAL 49 6.125 -5.531 -11.130 398 HB VAL 49 HB VAL 49 7.086 -5.199 -8.963 399 HG11 VAL 49 HG11 VAL 49 5.621 -3.558 -7.934 400 HG12 VAL 49 HG12 VAL 49 4.301 -4.759 -7.823 401 HG13 VAL 49 HG13 VAL 49 5.788 -4.993 -6.893 402 HG21 VAL 49 HG21 VAL 49 6.273 -7.118 -7.710 403 HG22 VAL 49 HG22 VAL 49 4.769 -7.136 -8.625 404 HG23 VAL 49 HG23 VAL 49 6.308 -7.490 -9.452 405 H ASN 50 H ASN 50 4.749 -7.164 -11.556 406 HA ASN 50 HA ASN 50 1.884 -6.897 -10.830 407 HB2 ASN 50 HB2 ASN 50 2.804 -8.443 -13.244 408 HB3 ASN 50 HB3 ASN 50 1.182 -7.939 -12.817 409 HD21 ASN 50 HD21 ASN 50 2.852 -7.676 -15.300 410 HD22 ASN 50 HD22 ASN 50 2.727 -5.982 -15.731 411 H VAL 51 H VAL 51 1.651 -8.465 -9.230 412 HA VAL 51 HA VAL 51 2.764 -11.165 -9.729 413 HB VAL 51 HB VAL 51 2.969 -9.524 -7.164 414 HG11 VAL 51 HG11 VAL 51 2.137 -11.604 -6.330 415 HG12 VAL 51 HG12 VAL 51 3.188 -12.545 -7.432 416 HG13 VAL 51 HG13 VAL 51 3.880 -11.636 -6.090 417 HG21 VAL 51 HG21 VAL 51 5.037 -11.187 -8.656 418 HG22 VAL 51 HG22 VAL 51 4.871 -9.435 -8.798 419 HG23 VAL 51 HG23 VAL 51 5.290 -10.136 -7.236 420 H GLN 52 H GLN 52 1.287 -12.786 -8.943 421 HA GLN 52 HA GLN 52 -1.240 -11.807 -7.725 422 HB2 GLN 52 HB2 GLN 52 -1.042 -13.627 -10.150 423 HB3 GLN 52 HB3 GLN 52 -2.489 -13.349 -9.173 424 HG2 GLN 52 HG2 GLN 52 -2.072 -10.817 -9.682 425 HG3 GLN 52 HG3 GLN 52 -1.092 -11.412 -11.018 426 HE21 GLN 52 HE21 GLN 52 -2.680 -13.659 -11.894 427 HE22 GLN 52 HE22 GLN 52 -4.275 -13.091 -12.313 428 H LYS 53 H LYS 53 1.189 -13.229 -6.696 429 HA LYS 53 HA LYS 53 -0.017 -15.736 -5.663 430 HB2 LYS 53 HB2 LYS 53 2.294 -15.768 -6.590 431 HB3 LYS 53 HB3 LYS 53 2.813 -14.643 -5.326 432 HG2 LYS 53 HG2 LYS 53 2.217 -16.279 -3.587 433 HG3 LYS 53 HG3 LYS 53 1.522 -17.355 -4.816 434 HD2 LYS 53 HD2 LYS 53 3.739 -17.650 -5.851 435 HD3 LYS 53 HD3 LYS 53 4.448 -16.511 -4.704 436 HE2 LYS 53 HE2 LYS 53 3.749 -18.009 -2.822 437 HE3 LYS 53 HE3 LYS 53 3.180 -19.186 -4.012 438 HZ1 LYS 53 HZ1 LYS 53 5.392 -19.639 -3.183 439 HZ2 LYS 53 HZ2 LYS 53 5.958 -18.214 -3.736 440 HZ3 LYS 53 HZ3 LYS 53 5.445 -19.357 -4.823 441 H MET 54 H MET 54 -1.123 -15.619 -3.712 442 HA MET 54 HA MET 54 -0.232 -13.642 -1.716 443 HB2 MET 54 HB2 MET 54 -2.563 -13.290 -1.037 444 HB3 MET 54 HB3 MET 54 -2.111 -12.545 -2.558 445 HG2 MET 54 HG2 MET 54 -3.637 -15.168 -2.427 446 HG3 MET 54 HG3 MET 54 -4.384 -13.583 -2.356 447 HE1 MET 54 HE1 MET 54 -5.783 -14.655 -3.804 448 HE2 MET 54 HE2 MET 54 -5.858 -13.571 -5.196 449 HE3 MET 54 HE3 MET 54 -5.442 -15.282 -5.426 450 H GLU 55 H GLU 55 0.567 -14.732 -0.106 451 HA GLU 55 HA GLU 55 -0.366 -17.379 0.708 452 HB2 GLU 55 HB2 GLU 55 1.654 -15.328 1.646 453 HB3 GLU 55 HB3 GLU 55 1.278 -16.694 2.682 454 HG2 GLU 55 HG2 GLU 55 2.004 -17.168 -0.236 455 HG3 GLU 55 HG3 GLU 55 3.242 -16.829 0.973 456 H ASN 56 H ASN 56 -1.150 -14.052 1.721 457 HA ASN 56 HA ASN 56 -2.829 -15.186 3.922 458 HB2 ASN 56 HB2 ASN 56 -0.710 -14.356 4.863 459 HB3 ASN 56 HB3 ASN 56 -0.961 -12.820 4.051 460 HD21 ASN 56 HD21 ASN 56 -1.274 -11.386 5.735 461 HD22 ASN 56 HD22 ASN 56 -2.485 -11.584 6.987 462 HA PRO 57 HA PRO 57 -5.181 -12.122 1.222 463 HB2 PRO 57 HB2 PRO 57 -7.117 -13.761 0.236 464 HB3 PRO 57 HB3 PRO 57 -5.518 -13.602 -0.532 465 HG2 PRO 57 HG2 PRO 57 -6.483 -15.781 1.344 466 HG3 PRO 57 HG3 PRO 57 -5.590 -15.949 -0.193 467 HD2 PRO 57 HD2 PRO 57 -4.369 -15.985 2.283 468 HD3 PRO 57 HD3 PRO 57 -3.568 -15.375 0.806 469 H ARG 58 H ARG 58 -5.919 -11.103 3.087 470 HA ARG 58 HA ARG 58 -7.941 -12.511 4.785 471 HB2 ARG 58 HB2 ARG 58 -6.686 -9.765 5.210 472 HB3 ARG 58 HB3 ARG 58 -7.917 -10.524 6.213 473 HG2 ARG 58 HG2 ARG 58 -6.034 -12.500 6.249 474 HG3 ARG 58 HG3 ARG 58 -4.993 -11.076 6.074 475 HD2 ARG 58 HD2 ARG 58 -6.403 -10.075 8.025 476 HD3 ARG 58 HD3 ARG 58 -7.047 -11.705 8.246 477 HE ARG 58 HE ARG 58 -4.556 -10.661 9.119 478 HH11 ARG 58 HH11 ARG 58 -5.945 -13.814 7.953 479 HH12 ARG 58 HH12 ARG 58 -4.898 -14.696 9.016 480 HH21 ARG 58 HH21 ARG 58 -3.137 -12.028 10.347 481 HH22 ARG 58 HH22 ARG 58 -3.174 -13.735 10.059 482 H GLU 59 H GLU 59 -9.911 -11.170 5.206 483 HA GLU 59 HA GLU 59 -10.612 -9.437 2.859 484 HB2 GLU 59 HB2 GLU 59 -12.332 -11.519 4.249 485 HB3 GLU 59 HB3 GLU 59 -12.893 -10.336 3.053 486 HG2 GLU 59 HG2 GLU 59 -11.393 -11.228 1.355 487 HG3 GLU 59 HG3 GLU 59 -10.701 -12.389 2.499 488 H VAL 60 H VAL 60 -9.768 -9.109 5.968 489 HA VAL 60 HA VAL 60 -11.371 -6.712 6.306 490 HB VAL 60 HB VAL 60 -11.238 -8.898 8.443 491 HG11 VAL 60 HG11 VAL 60 -12.572 -7.372 9.863 492 HG12 VAL 60 HG12 VAL 60 -10.981 -6.711 9.527 493 HG13 VAL 60 HG13 VAL 60 -12.391 -6.081 8.650 494 HG21 VAL 60 HG21 VAL 60 -13.683 -8.879 8.375 495 HG22 VAL 60 HG22 VAL 60 -13.657 -7.651 7.084 496 HG23 VAL 60 HG23 VAL 60 -13.046 -9.284 6.784 497 H VAL 61 H VAL 61 -10.174 -5.184 7.645 498 HA VAL 61 HA VAL 61 -7.342 -5.766 8.207 499 HB VAL 61 HB VAL 61 -6.664 -3.813 6.855 500 HG11 VAL 61 HG11 VAL 61 -6.755 -4.842 4.688 501 HG12 VAL 61 HG12 VAL 61 -6.665 -6.138 5.887 502 HG13 VAL 61 HG13 VAL 61 -8.212 -5.742 5.098 503 HG21 VAL 61 HG21 VAL 61 -8.207 -2.833 5.189 504 HG22 VAL 61 HG22 VAL 61 -9.557 -3.759 5.856 505 HG23 VAL 61 HG23 VAL 61 -8.753 -2.505 6.831 506 H GLU 62 H GLU 62 -6.450 -3.269 8.936 507 HA GLU 62 HA GLU 62 -8.510 -2.112 10.717 508 HB2 GLU 62 HB2 GLU 62 -5.513 -2.105 11.220 509 HB3 GLU 62 HB3 GLU 62 -6.776 -1.438 12.235 510 HG2 GLU 62 HG2 GLU 62 -7.714 -3.843 12.399 511 HG3 GLU 62 HG3 GLU 62 -6.137 -4.329 11.744 512 H ILE 63 H ILE 63 -7.480 0.140 11.338 513 HA ILE 63 HA ILE 63 -7.512 1.762 8.897 514 HB ILE 63 HB ILE 63 -7.512 2.532 11.859 515 HG12 ILE 63 HG12 ILE 63 -9.753 2.419 9.796 516 HG13 ILE 63 HG13 ILE 63 -9.520 1.260 11.114 517 HG21 ILE 63 HG21 ILE 63 -7.780 4.181 9.378 518 HG22 ILE 63 HG22 ILE 63 -8.478 4.777 10.863 519 HG23 ILE 63 HG23 ILE 63 -6.748 4.504 10.781 520 HD11 ILE 63 HD11 ILE 63 -11.250 2.657 11.835 521 HD12 ILE 63 HD12 ILE 63 -9.810 3.175 12.735 522 HD13 ILE 63 HD13 ILE 63 -10.429 4.130 11.357 523 H GLY 64 H GLY 64 -5.050 0.044 9.919 524 HA2 GLY 64 HA2 GLY 64 -3.013 2.096 9.344 525 HA3 GLY 64 HA3 GLY 64 -2.899 1.227 10.874 526 H ASP 65 H ASP 65 -4.025 -0.135 7.735 527 HA ASP 65 HA ASP 65 -1.619 -1.898 7.693 528 HB2 ASP 65 HB2 ASP 65 -4.532 -2.625 7.374 529 HB3 ASP 65 HB3 ASP 65 -3.284 -3.661 6.751 530 H VAL 66 H VAL 66 -1.452 -3.024 5.480 531 HA VAL 66 HA VAL 66 -2.217 -1.157 3.307 532 HB VAL 66 HB VAL 66 0.571 -2.037 4.122 533 HG11 VAL 66 HG11 VAL 66 0.136 -2.001 1.590 534 HG12 VAL 66 HG12 VAL 66 -0.002 -0.245 1.776 535 HG13 VAL 66 HG13 VAL 66 1.498 -1.090 2.238 536 HG21 VAL 66 HG21 VAL 66 0.837 0.490 4.200 537 HG22 VAL 66 HG22 VAL 66 -0.947 0.547 3.982 538 HG23 VAL 66 HG23 VAL 66 -0.244 -0.214 5.415 539 H GLY 67 H GLY 67 -3.069 -2.194 1.782 540 HA2 GLY 67 HA2 GLY 67 -2.886 -5.179 1.763 541 HA3 GLY 67 HA3 GLY 67 -4.091 -4.217 0.927 542 H TYR 68 H TYR 68 -3.184 -5.923 -0.672 543 HA TYR 68 HA TYR 68 -1.425 -4.482 -2.546 544 HB2 TYR 68 HB2 TYR 68 -0.121 -6.331 -1.484 545 HB3 TYR 68 HB3 TYR 68 -1.379 -7.477 -1.919 546 HD1 TYR 68 HD1 TYR 68 0.726 -4.806 -3.532 547 HD2 TYR 68 HD2 TYR 68 -0.992 -8.734 -3.902 548 HE1 TYR 68 HE1 TYR 68 1.758 -5.039 -5.745 549 HE2 TYR 68 HE2 TYR 68 0.019 -8.976 -6.158 550 HH TYR 68 HH TYR 68 1.106 -6.212 -7.801 551 H TRP 69 H TRP 69 -2.432 -4.493 -4.631 552 HA TRP 69 HA TRP 69 -4.977 -6.016 -4.747 553 HB2 TRP 69 HB2 TRP 69 -5.131 -3.463 -4.500 554 HB3 TRP 69 HB3 TRP 69 -4.634 -3.401 -6.175 555 HD1 TRP 69 HD1 TRP 69 -7.130 -5.530 -4.154 556 HE1 TRP 69 HE1 TRP 69 -9.479 -5.419 -5.232 557 HE3 TRP 69 HE3 TRP 69 -6.057 -2.628 -8.250 558 HZ2 TRP 69 HZ2 TRP 69 -10.764 -3.949 -7.276 559 HZ3 TRP 69 HZ3 TRP 69 -7.918 -1.813 -9.695 560 HH2 TRP 69 HH2 TRP 69 -10.299 -2.398 -9.106 561 HA PRO 70 HA PRO 70 -1.965 -7.655 -7.773 562 HB2 PRO 70 HB2 PRO 70 -3.530 -10.113 -7.859 563 HB3 PRO 70 HB3 PRO 70 -1.899 -9.834 -7.207 564 HG2 PRO 70 HG2 PRO 70 -4.171 -10.383 -5.675 565 HG3 PRO 70 HG3 PRO 70 -2.601 -9.761 -5.109 566 HD2 PRO 70 HD2 PRO 70 -5.114 -8.273 -5.468 567 HD3 PRO 70 HD3 PRO 70 -3.788 -7.943 -4.458 568 HA PRO 71 HA PRO 71 -5.489 -8.962 -10.717 569 HB2 PRO 71 HB2 PRO 71 -8.104 -8.188 -10.315 570 HB3 PRO 71 HB3 PRO 71 -7.381 -9.669 -9.613 571 HG2 PRO 71 HG2 PRO 71 -7.737 -6.959 -8.296 572 HG3 PRO 71 HG3 PRO 71 -8.009 -8.581 -7.541 573 HD2 PRO 71 HD2 PRO 71 -5.892 -7.233 -7.087 574 HD3 PRO 71 HD3 PRO 71 -5.868 -9.037 -7.260 575 H GLY 72 H GLY 72 -5.480 -5.733 -9.334 576 HA2 GLY 72 HA2 GLY 72 -5.548 -4.604 -12.075 577 HA3 GLY 72 HA3 GLY 72 -6.248 -3.775 -10.715 578 H LYS 73 H LYS 73 -3.253 -5.593 -10.304 579 HA LYS 73 HA LYS 73 -1.139 -4.946 -9.746 580 HB2 LYS 73 HB2 LYS 73 -1.609 -3.381 -12.296 581 HB3 LYS 73 HB3 LYS 73 -0.023 -3.801 -11.631 582 HG2 LYS 73 HG2 LYS 73 -0.228 -6.066 -12.088 583 HG3 LYS 73 HG3 LYS 73 -1.987 -6.046 -12.070 584 HD2 LYS 73 HD2 LYS 73 -1.860 -4.619 -14.214 585 HD3 LYS 73 HD3 LYS 73 -0.172 -5.148 -14.314 586 HE2 LYS 73 HE2 LYS 73 -0.938 -7.510 -14.089 587 HE3 LYS 73 HE3 LYS 73 -2.618 -6.929 -13.974 588 HZ1 LYS 73 HZ1 LYS 73 -0.984 -6.323 -16.368 589 HZ2 LYS 73 HZ2 LYS 73 -2.604 -6.294 -16.177 590 HZ3 LYS 73 HZ3 LYS 73 -1.799 -7.738 -16.216 591 H ALA 74 H ALA 74 -2.527 -3.621 -7.933 592 HA ALA 74 HA ALA 74 -1.200 -1.003 -7.839 593 HB1 ALA 74 HB1 ALA 74 -4.144 -1.310 -7.122 594 HB2 ALA 74 HB2 ALA 74 -3.183 0.179 -7.144 595 HB3 ALA 74 HB3 ALA 74 -3.547 -0.639 -8.660 596 H LEU 75 H LEU 75 -1.896 -0.082 -5.532 597 HA LEU 75 HA LEU 75 -1.204 -2.134 -3.488 598 HB2 LEU 75 HB2 LEU 75 0.352 0.061 -4.017 599 HB3 LEU 75 HB3 LEU 75 -0.857 0.809 -2.955 600 HG LEU 75 HG LEU 75 -0.354 -1.279 -1.401 601 HD11 LEU 75 HD11 LEU 75 2.001 -2.093 -1.655 602 HD12 LEU 75 HD12 LEU 75 2.119 -1.230 -3.191 603 HD13 LEU 75 HD13 LEU 75 0.971 -2.572 -3.001 604 HD21 LEU 75 HD21 LEU 75 1.777 0.825 -1.720 605 HD22 LEU 75 HD22 LEU 75 1.378 -0.086 -0.260 606 HD23 LEU 75 HD23 LEU 75 0.206 1.078 -0.904 607 H CYS 76 H CYS 76 -2.023 -0.875 -1.180 608 HA CYS 76 HA CYS 76 -4.187 0.866 -1.465 609 HB2 CYS 76 HB2 CYS 76 -5.610 -0.696 0.190 610 HB3 CYS 76 HB3 CYS 76 -5.885 -0.542 -1.532 611 HG CYS 76 HG CYS 76 -4.734 -2.562 -2.326 612 H LEU 77 H LEU 77 -4.722 1.837 0.544 613 HA LEU 77 HA LEU 77 -2.768 1.552 2.794 614 HB2 LEU 77 HB2 LEU 77 -3.316 3.898 0.963 615 HB3 LEU 77 HB3 LEU 77 -2.987 4.234 2.636 616 HG LEU 77 HG LEU 77 -1.011 2.592 1.013 617 HD11 LEU 77 HD11 LEU 77 -1.329 4.595 -0.267 618 HD12 LEU 77 HD12 LEU 77 0.205 4.739 0.609 619 HD13 LEU 77 HD13 LEU 77 -1.221 5.625 1.189 620 HD21 LEU 77 HD21 LEU 77 -0.731 4.457 3.414 621 HD22 LEU 77 HD22 LEU 77 0.563 3.524 2.671 622 HD23 LEU 77 HD23 LEU 77 -0.760 2.690 3.501 623 H PHE 78 H PHE 78 -4.312 1.009 4.408 624 HA PHE 78 HA PHE 78 -7.015 2.179 4.138 625 HB2 PHE 78 HB2 PHE 78 -5.942 0.106 6.107 626 HB3 PHE 78 HB3 PHE 78 -7.624 0.464 5.775 627 HD1 PHE 78 HD1 PHE 78 -8.321 0.141 3.193 628 HD2 PHE 78 HD2 PHE 78 -5.024 -1.815 5.106 629 HE1 PHE 78 HE1 PHE 78 -8.562 -1.854 1.657 630 HE2 PHE 78 HE2 PHE 78 -5.076 -3.604 3.399 631 HZ PHE 78 HZ PHE 78 -6.919 -3.574 1.637 632 H PHE 79 H PHE 79 -7.360 4.136 5.157 633 HA PHE 79 HA PHE 79 -6.234 4.524 7.879 634 HB2 PHE 79 HB2 PHE 79 -5.483 6.691 7.448 635 HB3 PHE 79 HB3 PHE 79 -4.645 5.515 6.467 636 HD1 PHE 79 HD1 PHE 79 -5.194 5.339 4.020 637 HD2 PHE 79 HD2 PHE 79 -6.832 8.471 6.451 638 HE1 PHE 79 HE1 PHE 79 -5.474 6.746 2.001 639 HE2 PHE 79 HE2 PHE 79 -7.278 9.831 4.395 640 HZ PHE 79 HZ PHE 79 -6.560 8.978 2.169 641 H GLY 80 H GLY 80 -9.026 4.178 6.537 642 HA2 GLY 80 HA2 GLY 80 -10.426 5.921 8.394 643 HA3 GLY 80 HA3 GLY 80 -10.668 6.403 6.712 644 H LYS 81 H LYS 81 -12.864 5.786 6.568 645 HA LYS 81 HA LYS 81 -13.399 2.841 6.665 646 HB2 LYS 81 HB2 LYS 81 -14.329 4.195 8.656 647 HB3 LYS 81 HB3 LYS 81 -15.457 4.910 7.520 648 HG2 LYS 81 HG2 LYS 81 -15.186 1.958 8.227 649 HG3 LYS 81 HG3 LYS 81 -16.428 3.079 8.778 650 HD2 LYS 81 HD2 LYS 81 -16.921 3.314 6.163 651 HD3 LYS 81 HD3 LYS 81 -16.087 1.756 6.096 652 HE2 LYS 81 HE2 LYS 81 -18.238 0.990 6.438 653 HE3 LYS 81 HE3 LYS 81 -17.749 1.149 8.126 654 HZ1 LYS 81 HZ1 LYS 81 -19.375 2.948 6.483 655 HZ2 LYS 81 HZ2 LYS 81 -18.773 3.475 7.937 656 HZ3 LYS 81 HZ3 LYS 81 -19.823 2.220 7.891 657 H THR 82 H THR 82 -13.512 2.327 4.519 658 HA THR 82 HA THR 82 -13.985 4.218 2.470 659 HB THR 82 HB THR 82 -13.863 1.808 1.244 660 HG1 THR 82 HG1 THR 82 -12.959 0.253 2.520 661 HG21 THR 82 HG21 THR 82 -11.433 2.029 1.295 662 HG22 THR 82 HG22 THR 82 -11.506 2.990 2.787 663 HG23 THR 82 HG23 THR 82 -12.137 3.638 1.259 664 HA PRO 83 HA PRO 83 -18.269 3.517 1.432 665 HB2 PRO 83 HB2 PRO 83 -18.291 3.490 -1.288 666 HB3 PRO 83 HB3 PRO 83 -17.830 4.941 -0.351 667 HG2 PRO 83 HG2 PRO 83 -16.003 2.821 -1.538 668 HG3 PRO 83 HG3 PRO 83 -15.921 4.599 -1.790 669 HD2 PRO 83 HD2 PRO 83 -14.409 3.399 0.070 670 HD3 PRO 83 HD3 PRO 83 -15.175 4.966 0.409 671 H MET 84 H MET 84 -16.268 1.021 1.656 672 HA MET 84 HA MET 84 -18.038 -0.997 0.452 673 HB2 MET 84 HB2 MET 84 -15.156 -0.589 0.011 674 HB3 MET 84 HB3 MET 84 -15.455 -2.136 0.800 675 HG2 MET 84 HG2 MET 84 -17.073 -1.286 -1.615 676 HG3 MET 84 HG3 MET 84 -15.497 -2.055 -1.794 677 HE1 MET 84 HE1 MET 84 -17.741 -3.497 -3.273 678 HE2 MET 84 HE2 MET 84 -18.824 -4.549 -2.329 679 HE3 MET 84 HE3 MET 84 -18.976 -2.795 -2.193 680 H SER 85 H SER 85 -18.810 -2.274 1.926 681 HA SER 85 HA SER 85 -19.060 -3.600 3.673 682 HB2 SER 85 HB2 SER 85 -16.469 -3.092 4.269 683 HB3 SER 85 HB3 SER 85 -17.249 -2.184 5.532 684 HG SER 85 HG SER 85 -17.045 -4.132 6.291 685 H ASP 86 H ASP 86 -20.183 -3.125 5.825 686 HA ASP 86 HA ASP 86 -20.815 -0.250 6.117 687 HB2 ASP 86 HB2 ASP 86 -22.569 -2.236 5.376 688 HB3 ASP 86 HB3 ASP 86 -22.789 -2.235 7.119 689 H ASP 87 H ASP 87 -20.408 -3.457 7.661 690 HA ASP 87 HA ASP 87 -20.539 -2.385 10.311 691 HB2 ASP 87 HB2 ASP 87 -19.449 -5.134 9.576 692 HB3 ASP 87 HB3 ASP 87 -19.939 -4.597 11.163 693 H LYS 88 H LYS 88 -17.863 -4.303 9.087 694 HA LYS 88 HA LYS 88 -15.835 -2.664 10.526 695 HB2 LYS 88 HB2 LYS 88 -14.380 -4.657 10.228 696 HB3 LYS 88 HB3 LYS 88 -15.828 -5.032 11.139 697 HG2 LYS 88 HG2 LYS 88 -16.744 -5.732 8.646 698 HG3 LYS 88 HG3 LYS 88 -15.024 -5.839 8.314 699 HD2 LYS 88 HD2 LYS 88 -15.795 -8.049 9.053 700 HD3 LYS 88 HD3 LYS 88 -14.916 -7.358 10.411 701 HE2 LYS 88 HE2 LYS 88 -16.842 -8.062 11.517 702 HE3 LYS 88 HE3 LYS 88 -17.294 -6.394 11.142 703 HZ1 LYS 88 HZ1 LYS 88 -19.069 -7.692 10.622 704 HZ2 LYS 88 HZ2 LYS 88 -18.262 -8.834 9.839 705 HZ3 LYS 88 HZ3 LYS 88 -18.478 -7.341 9.136 706 H ILE 89 H ILE 89 -13.976 -2.083 9.286 707 HA ILE 89 HA ILE 89 -14.368 -1.209 6.640 708 HB ILE 89 HB ILE 89 -11.890 -1.821 8.303 709 HG12 ILE 89 HG12 ILE 89 -12.869 0.988 7.791 710 HG13 ILE 89 HG13 ILE 89 -13.783 0.044 8.953 711 HG21 ILE 89 HG21 ILE 89 -11.141 -1.662 6.054 712 HG22 ILE 89 HG22 ILE 89 -12.133 -0.215 5.739 713 HG23 ILE 89 HG23 ILE 89 -10.726 -0.136 6.834 714 HD11 ILE 89 HD11 ILE 89 -11.787 -0.404 10.280 715 HD12 ILE 89 HD12 ILE 89 -10.787 0.481 9.103 716 HD13 ILE 89 HD13 ILE 89 -12.036 1.337 10.048 717 H GLN 90 H GLN 90 -14.364 -2.316 4.708 718 HA GLN 90 HA GLN 90 -12.639 -4.675 4.482 719 HB2 GLN 90 HB2 GLN 90 -15.486 -4.521 3.394 720 HB3 GLN 90 HB3 GLN 90 -14.317 -5.506 2.681 721 HG2 GLN 90 HG2 GLN 90 -13.906 -6.332 5.214 722 HG3 GLN 90 HG3 GLN 90 -15.559 -5.778 5.396 723 HE21 GLN 90 HE21 GLN 90 -15.744 -8.278 5.882 724 HE22 GLN 90 HE22 GLN 90 -15.863 -9.323 4.462 725 HA PRO 91 HA PRO 91 -11.121 -2.669 0.768 726 HB2 PRO 91 HB2 PRO 91 -9.702 -4.693 -0.309 727 HB3 PRO 91 HB3 PRO 91 -9.264 -4.050 1.288 728 HG2 PRO 91 HG2 PRO 91 -11.091 -6.432 0.772 729 HG3 PRO 91 HG3 PRO 91 -9.589 -6.409 1.760 730 HD2 PRO 91 HD2 PRO 91 -12.006 -6.089 2.853 731 HD3 PRO 91 HD3 PRO 91 -10.634 -5.076 3.404 732 H ALA 92 H ALA 92 -10.757 -3.465 -1.702 733 HA ALA 92 HA ALA 92 -13.399 -4.022 -2.714 734 HB1 ALA 92 HB1 ALA 92 -12.440 -3.523 -4.949 735 HB2 ALA 92 HB2 ALA 92 -11.918 -2.298 -3.789 736 HB3 ALA 92 HB3 ALA 92 -10.811 -3.587 -4.297 737 H SER 93 H SER 93 -10.926 -6.139 -1.750 738 HA SER 93 HA SER 93 -12.345 -8.368 -2.520 739 HB2 SER 93 HB2 SER 93 -11.231 -7.722 -4.862 740 HB3 SER 93 HB3 SER 93 -9.775 -8.372 -4.123 741 HG SER 93 HG SER 93 -10.798 -10.000 -5.198 742 H ALA 94 H ALA 94 -10.560 -10.373 -2.370 743 HA ALA 94 HA ALA 94 -9.513 -10.215 0.345 744 HB1 ALA 94 HB1 ALA 94 -9.129 -12.427 -1.707 745 HB2 ALA 94 HB2 ALA 94 -8.953 -12.508 0.056 746 HB3 ALA 94 HB3 ALA 94 -10.556 -12.266 -0.654 747 H VAL 95 H VAL 95 -8.127 -8.364 -0.077 748 HA VAL 95 HA VAL 95 -5.630 -8.613 -1.520 749 HB VAL 95 HB VAL 95 -5.025 -6.552 -0.280 750 HG11 VAL 95 HG11 VAL 95 -6.664 -5.100 -1.293 751 HG12 VAL 95 HG12 VAL 95 -6.446 -6.492 -2.352 752 HG13 VAL 95 HG13 VAL 95 -7.888 -6.372 -1.324 753 HG21 VAL 95 HG21 VAL 95 -6.938 -5.507 1.093 754 HG22 VAL 95 HG22 VAL 95 -7.559 -7.126 1.277 755 HG23 VAL 95 HG23 VAL 95 -5.942 -6.735 1.886 756 H ASN 96 H ASN 96 -3.636 -9.145 -0.843 757 HA ASN 96 HA ASN 96 -3.247 -10.649 1.639 758 HB2 ASN 96 HB2 ASN 96 -2.138 -11.074 -0.637 759 HB3 ASN 96 HB3 ASN 96 -1.207 -9.612 -0.370 760 HD21 ASN 96 HD21 ASN 96 0.127 -11.707 -0.885 761 HD22 ASN 96 HD22 ASN 96 0.916 -12.502 0.440 762 H VAL 97 H VAL 97 -2.658 -9.717 3.527 763 HA VAL 97 HA VAL 97 -2.421 -6.801 3.549 764 HB VAL 97 HB VAL 97 -2.570 -8.755 5.884 765 HG11 VAL 97 HG11 VAL 97 -1.782 -6.612 6.713 766 HG12 VAL 97 HG12 VAL 97 -2.898 -5.717 5.670 767 HG13 VAL 97 HG13 VAL 97 -3.504 -6.654 7.053 768 HG21 VAL 97 HG21 VAL 97 -4.785 -7.157 4.512 769 HG22 VAL 97 HG22 VAL 97 -4.606 -8.927 4.484 770 HG23 VAL 97 HG23 VAL 97 -4.961 -8.106 6.003 771 H ILE 98 H ILE 98 -0.324 -7.608 2.185 772 HA ILE 98 HA ILE 98 1.877 -8.647 3.670 773 HB ILE 98 HB ILE 98 3.306 -8.053 1.792 774 HG12 ILE 98 HG12 ILE 98 0.896 -6.505 0.746 775 HG13 ILE 98 HG13 ILE 98 2.492 -5.874 1.191 776 HG21 ILE 98 HG21 ILE 98 0.722 -9.084 0.652 777 HG22 ILE 98 HG22 ILE 98 2.383 -9.549 0.227 778 HG23 ILE 98 HG23 ILE 98 1.714 -10.047 1.780 779 HD11 ILE 98 HD11 ILE 98 3.508 -7.122 -0.679 780 HD12 ILE 98 HD12 ILE 98 1.873 -7.696 -1.153 781 HD13 ILE 98 HD13 ILE 98 2.266 -5.984 -1.223 782 H GLY 99 H GLY 99 0.661 -5.297 3.614 783 HA2 GLY 99 HA2 GLY 99 3.266 -4.466 4.755 784 HA3 GLY 99 HA3 GLY 99 2.232 -3.452 3.749 785 H LYS 100 H LYS 100 3.129 -2.746 6.300 786 HA LYS 100 HA LYS 100 0.487 -2.322 7.587 787 HB2 LYS 100 HB2 LYS 100 2.068 -3.895 8.871 788 HB3 LYS 100 HB3 LYS 100 3.190 -2.559 8.979 789 HG2 LYS 100 HG2 LYS 100 2.098 -2.573 11.020 790 HG3 LYS 100 HG3 LYS 100 1.383 -1.204 10.156 791 HD2 LYS 100 HD2 LYS 100 -0.430 -2.817 9.410 792 HD3 LYS 100 HD3 LYS 100 0.380 -4.046 10.370 793 HE2 LYS 100 HE2 LYS 100 -0.052 -2.675 12.433 794 HE3 LYS 100 HE3 LYS 100 -0.873 -1.462 11.447 795 HZ1 LYS 100 HZ1 LYS 100 -2.352 -3.074 12.579 796 HZ2 LYS 100 HZ2 LYS 100 -1.782 -4.272 11.638 797 HZ3 LYS 100 HZ3 LYS 100 -2.593 -3.054 10.948 798 H ILE 101 H ILE 101 0.171 -0.112 8.332 799 HA ILE 101 HA ILE 101 2.045 1.901 7.272 800 HB ILE 101 HB ILE 101 -0.505 2.196 8.915 801 HG12 ILE 101 HG12 ILE 101 -0.035 2.420 5.918 802 HG13 ILE 101 HG13 ILE 101 -1.075 1.270 6.777 803 HG21 ILE 101 HG21 ILE 101 1.141 4.084 9.153 804 HG22 ILE 101 HG22 ILE 101 1.200 4.262 7.390 805 HG23 ILE 101 HG23 ILE 101 -0.294 4.605 8.286 806 HD11 ILE 101 HD11 ILE 101 -1.581 4.219 6.421 807 HD12 ILE 101 HD12 ILE 101 -2.487 2.859 5.745 808 HD13 ILE 101 HD13 ILE 101 -2.535 3.163 7.491 809 H VAL 102 H VAL 102 3.889 1.750 8.412 810 HA VAL 102 HA VAL 102 3.794 1.229 11.343 811 HB VAL 102 HB VAL 102 6.225 1.018 11.217 812 HG11 VAL 102 HG11 VAL 102 4.684 -0.900 10.882 813 HG12 VAL 102 HG12 VAL 102 4.842 -0.706 9.129 814 HG13 VAL 102 HG13 VAL 102 6.263 -1.118 10.125 815 HG21 VAL 102 HG21 VAL 102 7.439 0.979 9.102 816 HG22 VAL 102 HG22 VAL 102 5.968 1.405 8.199 817 HG23 VAL 102 HG23 VAL 102 6.694 2.565 9.333 818 H GLU 103 H GLU 103 4.307 3.845 9.108 819 HA GLU 103 HA GLU 103 4.112 5.700 11.359 820 HB2 GLU 103 HB2 GLU 103 6.670 5.385 9.761 821 HB3 GLU 103 HB3 GLU 103 6.188 6.959 10.218 822 HG2 GLU 103 HG2 GLU 103 5.876 5.589 12.572 823 HG3 GLU 103 HG3 GLU 103 7.255 4.826 11.786 824 H GLY 104 H GLY 104 3.759 7.935 10.694 825 HA2 GLY 104 HA2 GLY 104 3.236 9.641 9.281 826 HA3 GLY 104 HA3 GLY 104 3.486 8.566 7.893 827 H LEU 105 H LEU 105 1.178 7.368 10.146 828 HA LEU 105 HA LEU 105 -0.837 7.014 8.295 829 HB2 LEU 105 HB2 LEU 105 -0.615 5.871 10.371 830 HB3 LEU 105 HB3 LEU 105 -1.137 7.286 11.274 831 HG LEU 105 HG LEU 105 -3.370 7.042 10.652 832 HD11 LEU 105 HD11 LEU 105 -3.456 7.096 8.258 833 HD12 LEU 105 HD12 LEU 105 -4.147 5.555 8.754 834 HD13 LEU 105 HD13 LEU 105 -2.513 5.595 8.119 835 HD21 LEU 105 HD21 LEU 105 -2.446 4.252 10.032 836 HD22 LEU 105 HD22 LEU 105 -3.951 4.758 10.823 837 HD23 LEU 105 HD23 LEU 105 -2.397 4.882 11.700 838 H GLU 106 H GLU 106 -0.498 9.793 10.622 839 HA GLU 106 HA GLU 106 -3.099 10.786 9.845 840 HB2 GLU 106 HB2 GLU 106 -0.969 12.264 11.433 841 HB3 GLU 106 HB3 GLU 106 -2.675 12.704 11.257 842 HG2 GLU 106 HG2 GLU 106 -3.044 10.175 12.072 843 HG3 GLU 106 HG3 GLU 106 -1.426 10.401 12.737 844 H ASP 107 H ASP 107 0.014 11.110 8.402 845 HA ASP 107 HA ASP 107 -0.556 13.632 7.045 846 HB2 ASP 107 HB2 ASP 107 1.769 11.785 7.237 847 HB3 ASP 107 HB3 ASP 107 1.606 12.745 5.767 848 H LEU 108 H LEU 108 -1.829 10.528 6.561 849 HA LEU 108 HA LEU 108 -1.722 10.499 3.652 850 HB2 LEU 108 HB2 LEU 108 -3.364 8.998 5.724 851 HB3 LEU 108 HB3 LEU 108 -3.766 8.903 4.014 852 HG LEU 108 HG LEU 108 -1.815 7.901 3.368 853 HD11 LEU 108 HD11 LEU 108 -0.129 9.250 4.518 854 HD12 LEU 108 HD12 LEU 108 0.175 7.537 4.803 855 HD13 LEU 108 HD13 LEU 108 -0.583 8.522 6.067 856 HD21 LEU 108 HD21 LEU 108 -3.111 6.239 4.472 857 HD22 LEU 108 HD22 LEU 108 -2.524 6.749 6.077 858 HD23 LEU 108 HD23 LEU 108 -1.438 5.958 4.926 859 H LYS 109 H LYS 109 -4.095 11.832 5.961 860 HA LYS 109 HA LYS 109 -6.161 12.112 4.052 861 HB2 LYS 109 HB2 LYS 109 -5.712 13.870 6.511 862 HB3 LYS 109 HB3 LYS 109 -7.209 13.564 5.655 863 HG2 LYS 109 HG2 LYS 109 -7.467 12.237 7.483 864 HG3 LYS 109 HG3 LYS 109 -6.890 11.064 6.309 865 HD2 LYS 109 HD2 LYS 109 -4.702 11.001 7.355 866 HD3 LYS 109 HD3 LYS 109 -5.053 12.471 8.282 867 HE2 LYS 109 HE2 LYS 109 -6.570 9.864 8.659 868 HE3 LYS 109 HE3 LYS 109 -5.090 10.278 9.541 869 HZ1 LYS 109 HZ1 LYS 109 -6.802 10.972 10.894 870 HZ2 LYS 109 HZ2 LYS 109 -7.685 11.652 9.695 871 HZ3 LYS 109 HZ3 LYS 109 -6.274 12.357 10.236 872 H LYS 110 H LYS 110 -3.312 13.982 4.513 873 HA LYS 110 HA LYS 110 -4.329 16.290 2.973 874 HB2 LYS 110 HB2 LYS 110 -2.274 17.379 3.710 875 HB3 LYS 110 HB3 LYS 110 -3.332 16.907 5.027 876 HG2 LYS 110 HG2 LYS 110 -1.877 15.181 5.766 877 HG3 LYS 110 HG3 LYS 110 -1.055 15.060 4.244 878 HD2 LYS 110 HD2 LYS 110 0.406 16.203 5.785 879 HD3 LYS 110 HD3 LYS 110 -0.133 17.390 4.597 880 HE2 LYS 110 HE2 LYS 110 -1.995 17.997 6.308 881 HE3 LYS 110 HE3 LYS 110 -1.079 17.018 7.469 882 HZ1 LYS 110 HZ1 LYS 110 -0.192 19.459 6.072 883 HZ2 LYS 110 HZ2 LYS 110 0.841 18.493 6.937 884 HZ3 LYS 110 HZ3 LYS 110 -0.410 19.269 7.681 885 H ILE 111 H ILE 111 -3.698 13.551 1.851 886 HA ILE 111 HA ILE 111 -1.864 14.430 -0.307 887 HB ILE 111 HB ILE 111 -3.070 11.712 0.372 888 HG12 ILE 111 HG12 ILE 111 -1.424 12.435 2.123 889 HG13 ILE 111 HG13 ILE 111 -0.919 11.018 1.240 890 HG21 ILE 111 HG21 ILE 111 -2.558 11.624 -1.920 891 HG22 ILE 111 HG22 ILE 111 -1.025 12.541 -1.720 892 HG23 ILE 111 HG23 ILE 111 -1.194 10.891 -1.118 893 HD11 ILE 111 HD11 ILE 111 0.640 12.329 -0.070 894 HD12 ILE 111 HD12 ILE 111 0.047 13.843 0.602 895 HD13 ILE 111 HD13 ILE 111 0.902 12.692 1.647 896 H LYS 112 H LYS 112 -2.700 14.014 -2.518 897 HA LYS 112 HA LYS 112 -5.647 14.108 -2.789 898 HB2 LYS 112 HB2 LYS 112 -3.664 15.198 -4.714 899 HB3 LYS 112 HB3 LYS 112 -5.377 15.448 -4.720 900 HG2 LYS 112 HG2 LYS 112 -3.933 16.453 -2.259 901 HG3 LYS 112 HG3 LYS 112 -3.530 17.179 -3.791 902 HD2 LYS 112 HD2 LYS 112 -5.304 18.286 -2.582 903 HD3 LYS 112 HD3 LYS 112 -5.723 17.749 -4.243 904 HE2 LYS 112 HE2 LYS 112 -6.848 15.747 -3.056 905 HE3 LYS 112 HE3 LYS 112 -6.671 16.688 -1.573 906 HZ1 LYS 112 HZ1 LYS 112 -8.310 17.292 -3.943 907 HZ2 LYS 112 HZ2 LYS 112 -7.938 18.479 -2.830 908 HZ3 LYS 112 HZ3 LYS 112 -8.732 17.139 -2.354 909 H ASP 113 H ASP 113 -6.132 13.371 -5.026 910 HA ASP 113 HA ASP 113 -5.286 10.722 -5.483 911 HB2 ASP 113 HB2 ASP 113 -7.541 11.936 -5.894 912 HB3 ASP 113 HB3 ASP 113 -6.828 12.670 -7.305 913 H GLY 114 H GLY 114 -3.486 13.305 -6.250 914 HA2 GLY 114 HA2 GLY 114 -1.940 12.018 -8.301 915 HA3 GLY 114 HA3 GLY 114 -2.910 13.314 -9.022 916 H GLU 115 H GLU 115 -0.765 12.637 -6.238 917 HA GLU 115 HA GLU 115 0.627 15.260 -6.561 918 HB2 GLU 115 HB2 GLU 115 -0.090 13.712 -4.041 919 HB3 GLU 115 HB3 GLU 115 1.003 15.085 -4.052 920 HG2 GLU 115 HG2 GLU 115 -1.734 15.386 -5.145 921 HG3 GLU 115 HG3 GLU 115 -1.493 15.383 -3.403 922 H LYS 116 H LYS 116 1.212 12.836 -7.808 923 HA LYS 116 HA LYS 116 2.733 11.068 -8.126 924 HB2 LYS 116 HB2 LYS 116 4.158 13.682 -7.880 925 HB3 LYS 116 HB3 LYS 116 5.107 12.211 -8.172 926 HG2 LYS 116 HG2 LYS 116 4.007 11.706 -10.210 927 HG3 LYS 116 HG3 LYS 116 2.714 12.887 -9.891 928 HD2 LYS 116 HD2 LYS 116 4.403 14.718 -9.952 929 HD3 LYS 116 HD3 LYS 116 5.702 13.544 -10.228 930 HE2 LYS 116 HE2 LYS 116 4.932 12.997 -12.388 931 HE3 LYS 116 HE3 LYS 116 3.345 13.752 -12.112 932 HZ1 LYS 116 HZ1 LYS 116 4.386 15.887 -12.038 933 HZ2 LYS 116 HZ2 LYS 116 4.900 15.157 -13.433 934 HZ3 LYS 116 HZ3 LYS 116 5.895 15.253 -12.142 935 H VAL 117 H VAL 117 3.035 9.359 -6.763 936 HA VAL 117 HA VAL 117 4.227 9.962 -4.138 937 HB VAL 117 HB VAL 117 4.472 7.859 -3.595 938 HG11 VAL 117 HG11 VAL 117 2.361 8.353 -3.631 939 HG12 VAL 117 HG12 VAL 117 2.043 6.866 -4.582 940 HG13 VAL 117 HG13 VAL 117 3.066 6.777 -3.044 941 HG21 VAL 117 HG21 VAL 117 5.208 6.800 -6.118 942 HG22 VAL 117 HG22 VAL 117 4.036 5.779 -5.291 943 HG23 VAL 117 HG23 VAL 117 3.468 6.983 -6.470 944 H ALA 118 H ALA 118 6.282 8.974 -3.667 945 HA ALA 118 HA ALA 118 8.035 7.974 -5.833 946 HB1 ALA 118 HB1 ALA 118 9.964 8.935 -4.296 947 HB2 ALA 118 HB2 ALA 118 9.253 9.914 -5.586 948 HB3 ALA 118 HB3 ALA 118 8.741 10.147 -3.903 949 H VAL 119 H VAL 119 7.957 5.938 -5.137 950 HA VAL 119 HA VAL 119 7.920 5.077 -2.344 951 HB VAL 119 HB VAL 119 8.191 3.628 -5.029 952 HG11 VAL 119 HG11 VAL 119 9.097 2.264 -3.373 953 HG12 VAL 119 HG12 VAL 119 7.731 2.567 -2.254 954 HG13 VAL 119 HG13 VAL 119 7.480 1.640 -3.737 955 HG21 VAL 119 HG21 VAL 119 5.786 4.549 -3.502 956 HG22 VAL 119 HG22 VAL 119 6.081 4.456 -5.241 957 HG23 VAL 119 HG23 VAL 119 5.698 2.979 -4.347 958 H ARG 120 H ARG 120 9.892 4.957 -1.242 959 HA ARG 120 HA ARG 120 12.263 3.957 -2.731 960 HB2 ARG 120 HB2 ARG 120 12.472 5.801 -0.346 961 HB3 ARG 120 HB3 ARG 120 13.747 5.219 -1.406 962 HG2 ARG 120 HG2 ARG 120 12.585 6.558 -3.270 963 HG3 ARG 120 HG3 ARG 120 11.613 7.312 -2.020 964 HD2 ARG 120 HD2 ARG 120 14.590 7.205 -1.611 965 HD3 ARG 120 HD3 ARG 120 13.994 8.251 -2.886 966 HE ARG 120 HE ARG 120 13.171 9.724 -1.414 967 HH11 ARG 120 HH11 ARG 120 14.463 7.050 0.580 968 HH12 ARG 120 HH12 ARG 120 13.833 7.718 2.051 969 HH21 ARG 120 HH21 ARG 120 12.566 10.616 0.597 970 HH22 ARG 120 HH22 ARG 120 12.468 9.600 2.006 971 H PHE 121 H PHE 121 13.867 2.992 -0.955 972 HA PHE 121 HA PHE 121 12.538 0.897 0.483 973 HB2 PHE 121 HB2 PHE 121 15.387 1.948 0.199 974 HB3 PHE 121 HB3 PHE 121 15.007 0.631 1.286 975 HD1 PHE 121 HD1 PHE 121 13.381 -1.208 0.278 976 HD2 PHE 121 HD2 PHE 121 15.809 1.434 -2.061 977 HE1 PHE 121 HE1 PHE 121 13.131 -2.716 -1.639 978 HE2 PHE 121 HE2 PHE 121 15.715 -0.170 -3.990 979 HZ PHE 121 HZ PHE 121 14.447 -2.291 -3.759 980 H ALA 122 H ALA 122 13.183 3.866 1.302 981 HA ALA 122 HA ALA 122 13.057 5.253 3.226 982 HB1 ALA 122 HB1 ALA 122 11.156 3.515 3.873 983 HB2 ALA 122 HB2 ALA 122 12.395 2.950 5.011 984 HB3 ALA 122 HB3 ALA 122 11.839 4.610 5.092 985 H SER 123 H SER 123 13.720 4.768 5.844 986 HA SER 123 HA SER 123 15.233 4.780 7.281 987 HB2 SER 123 HB2 SER 123 16.440 2.601 7.518 988 HB3 SER 123 HB3 SER 123 14.689 2.596 7.524 989 HG SER 123 HG SER 123 15.801 2.158 5.032 990 H SER 124 H SER 124 16.467 4.998 4.256 991 HA SER 124 HA SER 124 19.260 5.318 4.705 992 HB2 SER 124 HB2 SER 124 17.621 7.067 2.849 993 HB3 SER 124 HB3 SER 124 19.327 6.647 2.685 994 HG SER 124 HG SER 124 18.755 4.630 1.985 Start of MODEL 6 1 H1 MET 1 H1 MET 1 10.561 -5.862 5.315 2 HA MET 1 HA MET 1 13.034 -4.295 4.850 3 HB2 MET 1 HB2 MET 1 12.906 -5.827 3.065 4 HB3 MET 1 HB3 MET 1 11.145 -5.686 2.917 5 HG2 MET 1 HG2 MET 1 11.376 -3.384 2.084 6 HG3 MET 1 HG3 MET 1 13.138 -3.490 2.222 7 HE1 MET 1 HE1 MET 1 14.659 -4.667 0.458 8 HE2 MET 1 HE2 MET 1 14.006 -6.232 1.010 9 HE3 MET 1 HE3 MET 1 14.072 -5.862 -0.722 10 H ARG 2 H ARG 2 12.750 -2.262 5.404 11 HA ARG 2 HA ARG 2 10.048 -1.137 5.522 12 HB2 ARG 2 HB2 ARG 2 12.866 -0.108 5.952 13 HB3 ARG 2 HB3 ARG 2 11.546 1.050 5.703 14 HG2 ARG 2 HG2 ARG 2 11.008 -1.203 7.553 15 HG3 ARG 2 HG3 ARG 2 12.166 0.055 8.139 16 HD2 ARG 2 HD2 ARG 2 10.232 1.670 7.334 17 HD3 ARG 2 HD3 ARG 2 9.246 0.217 7.386 18 HE ARG 2 HE ARG 2 10.060 1.858 9.540 19 HH11 ARG 2 HH11 ARG 2 9.679 -1.725 8.969 20 HH12 ARG 2 HH12 ARG 2 9.505 -1.995 10.655 21 HH21 ARG 2 HH21 ARG 2 9.510 1.368 11.662 22 HH22 ARG 2 HH22 ARG 2 9.305 -0.277 12.168 23 H VAL 3 H VAL 3 9.427 0.608 4.411 24 HA VAL 3 HA VAL 3 10.682 1.465 1.942 25 HB VAL 3 HB VAL 3 8.059 -0.097 1.929 26 HG11 VAL 3 HG11 VAL 3 7.530 0.549 -0.311 27 HG12 VAL 3 HG12 VAL 3 7.620 2.006 0.674 28 HG13 VAL 3 HG13 VAL 3 8.951 1.588 -0.422 29 HG21 VAL 3 HG21 VAL 3 10.652 -0.370 0.347 30 HG22 VAL 3 HG22 VAL 3 9.807 -1.586 1.328 31 HG23 VAL 3 HG23 VAL 3 9.158 -1.094 -0.229 32 H GLU 4 H GLU 4 10.005 3.615 1.434 33 HA GLU 4 HA GLU 4 8.160 4.984 3.349 34 HB2 GLU 4 HB2 GLU 4 10.395 5.083 4.202 35 HB3 GLU 4 HB3 GLU 4 11.029 5.550 2.611 36 HG2 GLU 4 HG2 GLU 4 9.870 7.697 2.816 37 HG3 GLU 4 HG3 GLU 4 9.192 7.171 4.375 38 H LEU 5 H LEU 5 6.694 5.870 2.256 39 HA LEU 5 HA LEU 5 6.712 6.583 -0.580 40 HB2 LEU 5 HB2 LEU 5 4.621 6.226 1.643 41 HB3 LEU 5 HB3 LEU 5 4.242 7.013 0.130 42 HG LEU 5 HG LEU 5 4.770 5.109 -1.152 43 HD11 LEU 5 HD11 LEU 5 6.542 3.994 -0.015 44 HD12 LEU 5 HD12 LEU 5 5.207 2.874 -0.201 45 HD13 LEU 5 HD13 LEU 5 5.494 3.657 1.385 46 HD21 LEU 5 HD21 LEU 5 2.978 4.372 1.202 47 HD22 LEU 5 HD22 LEU 5 2.920 3.627 -0.410 48 HD23 LEU 5 HD23 LEU 5 2.485 5.329 -0.206 49 H LEU 6 H LEU 6 7.819 8.526 -0.633 50 HA LEU 6 HA LEU 6 6.951 10.852 1.046 51 HB2 LEU 6 HB2 LEU 6 9.066 10.181 -0.986 52 HB3 LEU 6 HB3 LEU 6 8.340 11.749 -1.227 53 HG LEU 6 HG LEU 6 9.361 10.911 1.503 54 HD11 LEU 6 HD11 LEU 6 10.955 12.263 -0.722 55 HD12 LEU 6 HD12 LEU 6 11.204 10.609 -0.114 56 HD13 LEU 6 HD13 LEU 6 11.502 11.990 0.953 57 HD21 LEU 6 HD21 LEU 6 9.054 13.650 0.179 58 HD22 LEU 6 HD22 LEU 6 9.532 13.332 1.860 59 HD23 LEU 6 HD23 LEU 6 7.892 12.951 1.314 60 H PHE 7 H PHE 7 5.578 12.459 0.106 61 HA PHE 7 HA PHE 7 4.539 12.076 -2.669 62 HB2 PHE 7 HB2 PHE 7 2.932 13.138 -0.324 63 HB3 PHE 7 HB3 PHE 7 2.368 12.750 -1.929 64 HD1 PHE 7 HD1 PHE 7 3.599 11.264 1.256 65 HD2 PHE 7 HD2 PHE 7 1.521 10.524 -2.409 66 HE1 PHE 7 HE1 PHE 7 2.864 9.154 2.167 67 HE2 PHE 7 HE2 PHE 7 0.708 8.386 -1.537 68 HZ PHE 7 HZ PHE 7 1.388 7.633 0.758 69 H GLU 8 H GLU 8 3.557 14.273 -3.347 70 HA GLU 8 HA GLU 8 5.292 16.515 -2.824 71 HB2 GLU 8 HB2 GLU 8 2.438 16.339 -3.875 72 HB3 GLU 8 HB3 GLU 8 3.397 17.803 -3.911 73 HG2 GLU 8 HG2 GLU 8 4.653 15.358 -5.155 74 HG3 GLU 8 HG3 GLU 8 3.249 15.994 -5.961 75 H SER 9 H SER 9 2.122 15.508 -1.487 76 HA SER 9 HA SER 9 1.993 17.924 0.148 77 HB2 SER 9 HB2 SER 9 0.146 15.652 -0.515 78 HB3 SER 9 HB3 SER 9 -0.103 16.524 1.003 79 HG SER 9 HG SER 9 -0.305 17.519 -1.655 80 H GLY 10 H GLY 10 3.509 14.827 0.829 81 HA2 GLY 10 HA2 GLY 10 3.836 15.242 3.615 82 HA3 GLY 10 HA3 GLY 10 2.388 14.240 3.350 83 H LYS 11 H LYS 11 3.773 12.571 4.552 84 HA LYS 11 HA LYS 11 5.094 10.857 2.650 85 HB2 LYS 11 HB2 LYS 11 7.291 11.135 3.212 86 HB3 LYS 11 HB3 LYS 11 6.743 12.753 3.357 87 HG2 LYS 11 HG2 LYS 11 7.821 12.740 5.284 88 HG3 LYS 11 HG3 LYS 11 6.352 12.055 5.902 89 HD2 LYS 11 HD2 LYS 11 7.297 9.780 5.733 90 HD3 LYS 11 HD3 LYS 11 8.732 10.446 4.905 91 HE2 LYS 11 HE2 LYS 11 9.269 11.758 6.936 92 HE3 LYS 11 HE3 LYS 11 7.965 10.929 7.805 93 HZ1 LYS 11 HZ1 LYS 11 10.386 10.079 7.871 94 HZ2 LYS 11 HZ2 LYS 11 10.057 9.309 6.471 95 HZ3 LYS 11 HZ3 LYS 11 9.182 8.994 7.849 96 H CYS 12 H CYS 12 5.081 8.774 3.342 97 HA CYS 12 HA CYS 12 4.520 8.130 6.177 98 HB2 CYS 12 HB2 CYS 12 2.707 6.992 4.002 99 HB3 CYS 12 HB3 CYS 12 2.651 6.639 5.666 100 HG CYS 12 HG CYS 12 2.334 9.574 4.064 101 H VAL 13 H VAL 13 4.671 5.637 6.588 102 HA VAL 13 HA VAL 13 6.852 4.555 4.890 103 HB VAL 13 HB VAL 13 6.864 4.535 7.916 104 HG11 VAL 13 HG11 VAL 13 8.348 2.931 6.485 105 HG12 VAL 13 HG12 VAL 13 9.203 4.369 5.948 106 HG13 VAL 13 HG13 VAL 13 9.194 3.945 7.678 107 HG21 VAL 13 HG21 VAL 13 8.643 6.307 7.789 108 HG22 VAL 13 HG22 VAL 13 8.189 6.587 6.114 109 HG23 VAL 13 HG23 VAL 13 7.017 6.894 7.420 110 H ILE 14 H ILE 14 6.355 2.555 4.222 111 HA ILE 14 HA ILE 14 4.290 1.005 5.711 112 HB ILE 14 HB ILE 14 3.695 -0.088 3.691 113 HG12 ILE 14 HG12 ILE 14 5.771 1.646 2.285 114 HG13 ILE 14 HG13 ILE 14 5.825 -0.100 2.506 115 HG21 ILE 14 HG21 ILE 14 3.650 2.921 3.184 116 HG22 ILE 14 HG22 ILE 14 2.448 1.710 2.679 117 HG23 ILE 14 HG23 ILE 14 2.648 2.105 4.394 118 HD11 ILE 14 HD11 ILE 14 3.838 -0.392 1.127 119 HD12 ILE 14 HD12 ILE 14 3.780 1.360 0.810 120 HD13 ILE 14 HD13 ILE 14 5.158 0.393 0.245 121 H ASP 15 H ASP 15 4.812 -1.045 6.291 122 HA ASP 15 HA ASP 15 7.715 -1.712 6.111 123 HB2 ASP 15 HB2 ASP 15 6.791 -1.236 8.360 124 HB3 ASP 15 HB3 ASP 15 5.635 -2.546 8.146 125 H LEU 16 H LEU 16 8.152 -3.334 4.672 126 HA LEU 16 HA LEU 16 5.898 -5.082 3.878 127 HB2 LEU 16 HB2 LEU 16 8.203 -3.799 2.419 128 HB3 LEU 16 HB3 LEU 16 7.466 -5.251 1.772 129 HG LEU 16 HG LEU 16 6.015 -2.598 2.320 130 HD11 LEU 16 HD11 LEU 16 6.838 -3.982 -0.280 131 HD12 LEU 16 HD12 LEU 16 7.615 -2.543 0.393 132 HD13 LEU 16 HD13 LEU 16 5.938 -2.448 -0.155 133 HD21 LEU 16 HD21 LEU 16 5.102 -5.290 1.164 134 HD22 LEU 16 HD22 LEU 16 4.224 -3.772 0.902 135 HD23 LEU 16 HD23 LEU 16 4.466 -4.388 2.531 136 H ASN 17 H ASN 17 6.094 -7.118 4.248 137 HA ASN 17 HA ASN 17 8.622 -8.093 5.461 138 HB2 ASN 17 HB2 ASN 17 6.414 -8.655 6.455 139 HB3 ASN 17 HB3 ASN 17 6.086 -9.630 5.017 140 HD21 ASN 17 HD21 ASN 17 5.816 -11.305 6.711 141 HD22 ASN 17 HD22 ASN 17 7.265 -12.192 7.235 142 H GLU 18 H GLU 18 10.162 -9.227 4.466 143 HA GLU 18 HA GLU 18 10.109 -9.718 1.610 144 HB2 GLU 18 HB2 GLU 18 12.102 -10.370 3.814 145 HB3 GLU 18 HB3 GLU 18 12.377 -10.760 2.117 146 HG2 GLU 18 HG2 GLU 18 12.155 -8.363 1.512 147 HG3 GLU 18 HG3 GLU 18 11.995 -7.974 3.231 148 H GLU 19 H GLU 19 8.651 -11.560 3.984 149 HA GLU 19 HA GLU 19 9.446 -14.220 3.025 150 HB2 GLU 19 HB2 GLU 19 7.096 -13.224 4.695 151 HB3 GLU 19 HB3 GLU 19 7.347 -14.918 4.257 152 HG2 GLU 19 HG2 GLU 19 9.494 -14.978 5.432 153 HG3 GLU 19 HG3 GLU 19 9.392 -13.254 5.795 154 H TYR 20 H TYR 20 7.421 -11.619 1.907 155 HA TYR 20 HA TYR 20 5.638 -13.339 0.345 156 HB2 TYR 20 HB2 TYR 20 5.798 -10.320 0.628 157 HB3 TYR 20 HB3 TYR 20 4.452 -11.240 -0.032 158 HD1 TYR 20 HD1 TYR 20 4.225 -13.437 2.029 159 HD2 TYR 20 HD2 TYR 20 4.935 -9.226 2.537 160 HE1 TYR 20 HE1 TYR 20 3.127 -13.540 4.224 161 HE2 TYR 20 HE2 TYR 20 3.765 -9.302 4.730 162 HH TYR 20 HH TYR 20 2.543 -12.393 6.088 163 H GLU 21 H GLU 21 6.085 -13.880 -1.693 164 HA GLU 21 HA GLU 21 8.286 -13.335 -3.186 165 HB2 GLU 21 HB2 GLU 21 6.802 -15.126 -3.637 166 HB3 GLU 21 HB3 GLU 21 5.456 -14.045 -4.017 167 HG2 GLU 21 HG2 GLU 21 6.385 -13.351 -6.039 168 HG3 GLU 21 HG3 GLU 21 8.001 -13.931 -5.655 169 H VAL 22 H VAL 22 5.168 -11.622 -3.755 170 HA VAL 22 HA VAL 22 5.949 -9.635 -5.410 171 HB VAL 22 HB VAL 22 3.709 -10.157 -4.542 172 HG11 VAL 22 HG11 VAL 22 4.220 -10.347 -2.143 173 HG12 VAL 22 HG12 VAL 22 4.379 -8.582 -2.059 174 HG13 VAL 22 HG13 VAL 22 2.826 -9.335 -2.505 175 HG21 VAL 22 HG21 VAL 22 2.812 -7.883 -4.549 176 HG22 VAL 22 HG22 VAL 22 4.445 -7.224 -4.323 177 HG23 VAL 22 HG23 VAL 22 4.037 -8.116 -5.805 178 H VAL 23 H VAL 23 6.887 -9.618 -1.926 179 HA VAL 23 HA VAL 23 7.811 -6.854 -2.057 180 HB VAL 23 HB VAL 23 8.124 -9.060 0.022 181 HG11 VAL 23 HG11 VAL 23 10.043 -7.516 0.229 182 HG12 VAL 23 HG12 VAL 23 8.925 -6.137 0.263 183 HG13 VAL 23 HG13 VAL 23 8.916 -7.328 1.571 184 HG21 VAL 23 HG21 VAL 23 5.821 -8.211 -0.218 185 HG22 VAL 23 HG22 VAL 23 6.518 -7.596 1.281 186 HG23 VAL 23 HG23 VAL 23 6.411 -6.544 -0.152 187 H LYS 24 H LYS 24 9.275 -10.146 -2.279 188 HA LYS 24 HA LYS 24 11.989 -9.320 -2.477 189 HB2 LYS 24 HB2 LYS 24 10.639 -11.678 -3.854 190 HB3 LYS 24 HB3 LYS 24 12.343 -11.532 -3.445 191 HG2 LYS 24 HG2 LYS 24 11.850 -11.771 -1.071 192 HG3 LYS 24 HG3 LYS 24 10.119 -11.687 -1.361 193 HD2 LYS 24 HD2 LYS 24 10.274 -13.760 -2.779 194 HD3 LYS 24 HD3 LYS 24 11.962 -13.895 -2.312 195 HE2 LYS 24 HE2 LYS 24 11.436 -14.327 -0.034 196 HE3 LYS 24 HE3 LYS 24 9.815 -13.650 -0.185 197 HZ1 LYS 24 HZ1 LYS 24 9.856 -16.075 -0.010 198 HZ2 LYS 24 HZ2 LYS 24 10.589 -16.212 -1.474 199 HZ3 LYS 24 HZ3 LYS 24 9.074 -15.577 -1.321 200 H LEU 25 H LEU 25 9.354 -9.515 -4.813 201 HA LEU 25 HA LEU 25 11.015 -9.169 -7.178 202 HB2 LEU 25 HB2 LEU 25 8.015 -9.109 -6.664 203 HB3 LEU 25 HB3 LEU 25 8.696 -8.838 -8.265 204 HG LEU 25 HG LEU 25 9.350 -11.353 -6.674 205 HD11 LEU 25 HD11 LEU 25 7.600 -12.511 -7.900 206 HD12 LEU 25 HD12 LEU 25 7.039 -10.986 -8.602 207 HD13 LEU 25 HD13 LEU 25 6.937 -11.248 -6.851 208 HD21 LEU 25 HD21 LEU 25 10.830 -10.885 -8.582 209 HD22 LEU 25 HD22 LEU 25 9.435 -10.659 -9.650 210 HD23 LEU 25 HD23 LEU 25 9.789 -12.259 -8.947 211 H LEU 26 H LEU 26 9.028 -7.098 -5.111 212 HA LEU 26 HA LEU 26 9.203 -4.669 -6.570 213 HB2 LEU 26 HB2 LEU 26 8.580 -5.580 -3.819 214 HB3 LEU 26 HB3 LEU 26 9.331 -4.024 -3.873 215 HG LEU 26 HG LEU 26 6.777 -4.761 -5.345 216 HD11 LEU 26 HD11 LEU 26 5.689 -3.372 -3.600 217 HD12 LEU 26 HD12 LEU 26 7.253 -3.204 -2.762 218 HD13 LEU 26 HD13 LEU 26 6.485 -4.796 -2.919 219 HD21 LEU 26 HD21 LEU 26 8.060 -2.033 -4.886 220 HD22 LEU 26 HD22 LEU 26 6.496 -2.315 -5.671 221 HD23 LEU 26 HD23 LEU 26 7.985 -2.857 -6.446 222 H LYS 27 H LYS 27 11.748 -6.399 -4.849 223 HA LYS 27 HA LYS 27 13.406 -4.116 -4.426 224 HB2 LYS 27 HB2 LYS 27 13.622 -6.564 -3.511 225 HB3 LYS 27 HB3 LYS 27 14.418 -6.901 -5.051 226 HG2 LYS 27 HG2 LYS 27 15.846 -4.676 -4.243 227 HG3 LYS 27 HG3 LYS 27 15.323 -5.295 -2.677 228 HD2 LYS 27 HD2 LYS 27 17.349 -6.432 -2.988 229 HD3 LYS 27 HD3 LYS 27 16.178 -7.606 -3.599 230 HE2 LYS 27 HE2 LYS 27 17.621 -7.652 -5.368 231 HE3 LYS 27 HE3 LYS 27 16.579 -6.312 -5.896 232 HZ1 LYS 27 HZ1 LYS 27 18.267 -4.776 -5.003 233 HZ2 LYS 27 HZ2 LYS 27 18.953 -5.811 -6.087 234 HZ3 LYS 27 HZ3 LYS 27 19.173 -6.045 -4.504 235 H GLU 28 H GLU 28 12.457 -5.693 -7.397 236 HA GLU 28 HA GLU 28 14.804 -4.766 -8.873 237 HB2 GLU 28 HB2 GLU 28 12.170 -6.013 -9.735 238 HB3 GLU 28 HB3 GLU 28 13.526 -5.705 -10.811 239 HG2 GLU 28 HG2 GLU 28 13.765 -7.460 -8.302 240 HG3 GLU 28 HG3 GLU 28 13.280 -8.058 -9.846 241 H LYS 29 H LYS 29 11.901 -3.376 -7.785 242 HA LYS 29 HA LYS 29 11.867 -1.368 -10.002 243 HB2 LYS 29 HB2 LYS 29 9.524 -2.495 -8.410 244 HB3 LYS 29 HB3 LYS 29 9.431 -1.322 -9.721 245 HG2 LYS 29 HG2 LYS 29 10.264 -4.239 -9.990 246 HG3 LYS 29 HG3 LYS 29 8.741 -3.503 -10.499 247 HD2 LYS 29 HD2 LYS 29 10.026 -2.010 -12.063 248 HD3 LYS 29 HD3 LYS 29 11.496 -2.904 -11.654 249 HE2 LYS 29 HE2 LYS 29 10.399 -5.020 -12.394 250 HE3 LYS 29 HE3 LYS 29 8.973 -4.087 -12.884 251 HZ1 LYS 29 HZ1 LYS 29 10.407 -4.438 -14.763 252 HZ2 LYS 29 HZ2 LYS 29 11.707 -3.756 -13.968 253 HZ3 LYS 29 HZ3 LYS 29 10.442 -2.840 -14.392 254 H ILE 30 H ILE 30 12.850 -1.416 -6.881 255 HA ILE 30 HA ILE 30 11.439 1.109 -6.193 256 HB ILE 30 HB ILE 30 12.744 -0.976 -4.461 257 HG12 ILE 30 HG12 ILE 30 9.928 0.199 -4.380 258 HG13 ILE 30 HG13 ILE 30 10.332 -1.267 -5.245 259 HG21 ILE 30 HG21 ILE 30 11.551 1.640 -3.422 260 HG22 ILE 30 HG22 ILE 30 12.378 0.385 -2.493 261 HG23 ILE 30 HG23 ILE 30 13.305 1.371 -3.598 262 HD11 ILE 30 HD11 ILE 30 10.611 -0.873 -2.231 263 HD12 ILE 30 HD12 ILE 30 9.387 -1.821 -3.057 264 HD13 ILE 30 HD13 ILE 30 11.085 -2.336 -3.126 265 HA PRO 31 HA PRO 31 11.834 2.957 -5.089 266 HB2 PRO 31 HB2 PRO 31 12.380 5.552 -5.827 267 HB3 PRO 31 HB3 PRO 31 13.014 4.778 -4.351 268 HG2 PRO 31 HG2 PRO 31 14.427 5.251 -6.949 269 HG3 PRO 31 HG3 PRO 31 15.052 5.339 -5.268 270 HD2 PRO 31 HD2 PRO 31 15.408 3.159 -6.989 271 HD3 PRO 31 HD3 PRO 31 15.445 3.049 -5.205 272 H PHE 32 H PHE 32 9.989 4.117 -6.051 273 HA PHE 32 HA PHE 32 10.139 4.639 -8.856 274 HB2 PHE 32 HB2 PHE 32 8.152 3.508 -9.582 275 HB3 PHE 32 HB3 PHE 32 9.359 2.364 -9.064 276 HD1 PHE 32 HD1 PHE 32 9.090 1.305 -6.736 277 HD2 PHE 32 HD2 PHE 32 5.956 3.424 -8.770 278 HE1 PHE 32 HE1 PHE 32 7.403 0.069 -5.410 279 HE2 PHE 32 HE2 PHE 32 4.260 2.273 -7.386 280 HZ PHE 32 HZ PHE 32 4.988 0.543 -5.702 281 H GLU 33 H GLU 33 8.085 5.838 -9.603 282 HA GLU 33 HA GLU 33 6.858 7.266 -7.337 283 HB2 GLU 33 HB2 GLU 33 7.826 8.519 -9.887 284 HB3 GLU 33 HB3 GLU 33 6.861 9.335 -8.669 285 HG2 GLU 33 HG2 GLU 33 8.609 9.102 -7.016 286 HG3 GLU 33 HG3 GLU 33 9.628 8.177 -8.121 287 H SER 34 H SER 34 4.663 7.849 -7.840 288 HA SER 34 HA SER 34 3.494 6.822 -10.329 289 HB2 SER 34 HB2 SER 34 4.018 4.915 -8.536 290 HB3 SER 34 HB3 SER 34 2.549 5.533 -7.776 291 HG SER 34 HG SER 34 2.926 4.622 -10.462 292 H VAL 35 H VAL 35 1.107 6.974 -10.292 293 HA VAL 35 HA VAL 35 0.432 9.652 -9.333 294 HB VAL 35 HB VAL 35 -1.511 7.737 -10.677 295 HG11 VAL 35 HG11 VAL 35 -2.502 9.815 -11.550 296 HG12 VAL 35 HG12 VAL 35 -2.447 9.830 -9.787 297 HG13 VAL 35 HG13 VAL 35 -1.263 10.774 -10.716 298 HG21 VAL 35 HG21 VAL 35 -0.803 8.668 -12.873 299 HG22 VAL 35 HG22 VAL 35 0.579 9.458 -12.072 300 HG23 VAL 35 HG23 VAL 35 0.443 7.682 -12.116 301 H VAL 36 H VAL 36 -0.505 10.008 -7.463 302 HA VAL 36 HA VAL 36 -1.525 7.901 -5.724 303 HB VAL 36 HB VAL 36 -1.821 10.932 -5.433 304 HG11 VAL 36 HG11 VAL 36 -3.148 9.385 -3.910 305 HG12 VAL 36 HG12 VAL 36 -1.557 8.938 -3.220 306 HG13 VAL 36 HG13 VAL 36 -2.138 10.604 -3.149 307 HG21 VAL 36 HG21 VAL 36 0.433 9.239 -4.374 308 HG22 VAL 36 HG22 VAL 36 0.622 10.424 -5.689 309 HG23 VAL 36 HG23 VAL 36 0.188 10.971 -4.070 310 H ASN 37 H ASN 37 -3.327 6.975 -6.583 311 HA ASN 37 HA ASN 37 -5.537 8.710 -7.610 312 HB2 ASN 37 HB2 ASN 37 -5.322 5.690 -7.403 313 HB3 ASN 37 HB3 ASN 37 -6.658 6.602 -8.114 314 HD21 ASN 37 HD21 ASN 37 -4.096 4.773 -8.965 315 HD22 ASN 37 HD22 ASN 37 -3.717 5.506 -10.530 316 H THR 38 H THR 38 -7.574 8.516 -6.398 317 HA THR 38 HA THR 38 -7.255 7.666 -3.557 318 HB THR 38 HB THR 38 -8.517 9.740 -2.949 319 HG1 THR 38 HG1 THR 38 -7.918 10.465 -5.637 320 HG21 THR 38 HG21 THR 38 -6.624 11.356 -3.142 321 HG22 THR 38 HG22 THR 38 -5.756 10.182 -4.149 322 HG23 THR 38 HG23 THR 38 -6.204 9.779 -2.469 323 H TRP 39 H TRP 39 -9.049 6.764 -2.654 324 HA TRP 39 HA TRP 39 -11.702 7.128 -3.902 325 HB2 TRP 39 HB2 TRP 39 -10.939 5.296 -5.203 326 HB3 TRP 39 HB3 TRP 39 -10.240 4.483 -3.840 327 HD1 TRP 39 HD1 TRP 39 -13.571 5.144 -5.454 328 HE1 TRP 39 HE1 TRP 39 -15.103 3.160 -4.910 329 HE3 TRP 39 HE3 TRP 39 -10.718 2.866 -1.880 330 HZ2 TRP 39 HZ2 TRP 39 -15.036 0.827 -3.218 331 HZ3 TRP 39 HZ3 TRP 39 -11.426 0.704 -0.884 332 HH2 TRP 39 HH2 TRP 39 -13.500 -0.374 -1.617 333 H GLY 40 H GLY 40 -12.445 8.086 -2.058 334 HA2 GLY 40 HA2 GLY 40 -13.815 7.791 -0.241 335 HA3 GLY 40 HA3 GLY 40 -13.478 6.084 -0.445 336 H GLU 41 H GLU 41 -10.654 7.953 0.442 337 HA GLU 41 HA GLU 41 -9.472 8.143 2.372 338 HB2 GLU 41 HB2 GLU 41 -11.852 8.229 3.590 339 HB3 GLU 41 HB3 GLU 41 -11.386 6.611 4.119 340 HG2 GLU 41 HG2 GLU 41 -9.402 7.480 5.167 341 HG3 GLU 41 HG3 GLU 41 -9.600 9.053 4.378 342 H GLU 42 H GLU 42 -9.406 6.289 0.334 343 HA GLU 42 HA GLU 42 -7.302 4.885 1.620 344 HB2 GLU 42 HB2 GLU 42 -8.916 3.060 1.199 345 HB3 GLU 42 HB3 GLU 42 -9.280 3.705 -0.386 346 HG2 GLU 42 HG2 GLU 42 -6.742 3.025 -0.905 347 HG3 GLU 42 HG3 GLU 42 -7.017 1.926 0.443 348 H ILE 43 H ILE 43 -5.597 4.567 -0.064 349 HA ILE 43 HA ILE 43 -5.738 6.305 -2.442 350 HB ILE 43 HB ILE 43 -3.597 6.229 -0.303 351 HG12 ILE 43 HG12 ILE 43 -4.488 8.695 -1.801 352 HG13 ILE 43 HG13 ILE 43 -5.535 8.038 -0.541 353 HG21 ILE 43 HG21 ILE 43 -3.087 7.211 -3.141 354 HG22 ILE 43 HG22 ILE 43 -2.018 7.447 -1.738 355 HG23 ILE 43 HG23 ILE 43 -2.310 5.825 -2.340 356 HD11 ILE 43 HD11 ILE 43 -3.576 8.080 1.010 357 HD12 ILE 43 HD12 ILE 43 -2.692 9.036 -0.204 358 HD13 ILE 43 HD13 ILE 43 -4.192 9.671 0.515 359 H TYR 44 H TYR 44 -4.670 5.364 -4.185 360 HA TYR 44 HA TYR 44 -3.071 2.940 -3.735 361 HB2 TYR 44 HB2 TYR 44 -4.004 1.777 -5.635 362 HB3 TYR 44 HB3 TYR 44 -5.194 1.982 -4.347 363 HD1 TYR 44 HD1 TYR 44 -6.782 4.007 -4.588 364 HD2 TYR 44 HD2 TYR 44 -4.733 2.159 -7.875 365 HE1 TYR 44 HE1 TYR 44 -8.509 4.892 -6.108 366 HE2 TYR 44 HE2 TYR 44 -6.467 2.993 -9.430 367 HH TYR 44 HH TYR 44 -9.262 4.936 -8.265 368 H PHE 45 H PHE 45 -1.935 2.373 -5.797 369 HA PHE 45 HA PHE 45 -1.481 4.469 -7.713 370 HB2 PHE 45 HB2 PHE 45 1.054 4.174 -7.283 371 HB3 PHE 45 HB3 PHE 45 0.161 5.368 -6.383 372 HD1 PHE 45 HD1 PHE 45 -0.383 4.888 -3.891 373 HD2 PHE 45 HD2 PHE 45 2.116 2.332 -6.264 374 HE1 PHE 45 HE1 PHE 45 0.541 3.859 -1.803 375 HE2 PHE 45 HE2 PHE 45 3.012 1.265 -4.176 376 HZ PHE 45 HZ PHE 45 2.265 2.067 -1.972 377 H SER 46 H SER 46 -0.331 3.503 -9.570 378 HA SER 46 HA SER 46 -1.340 0.758 -9.840 379 HB2 SER 46 HB2 SER 46 -0.175 2.562 -11.986 380 HB3 SER 46 HB3 SER 46 -1.260 1.178 -12.166 381 HG SER 46 HG SER 46 -2.404 2.978 -12.416 382 H THR 47 H THR 47 0.339 -0.406 -8.640 383 HA THR 47 HA THR 47 3.017 0.357 -8.896 384 HB THR 47 HB THR 47 3.365 -1.866 -7.687 385 HG1 THR 47 HG1 THR 47 1.709 -3.123 -7.596 386 HG21 THR 47 HG21 THR 47 2.680 -0.955 -5.611 387 HG22 THR 47 HG22 THR 47 1.331 -0.045 -6.331 388 HG23 THR 47 HG23 THR 47 3.022 0.421 -6.642 389 HA PRO 48 HA PRO 48 4.394 -1.562 -12.489 390 HB2 PRO 48 HB2 PRO 48 7.086 -1.807 -12.029 391 HB3 PRO 48 HB3 PRO 48 6.260 -0.240 -12.258 392 HG2 PRO 48 HG2 PRO 48 7.046 -1.587 -9.657 393 HG3 PRO 48 HG3 PRO 48 7.278 0.134 -10.128 394 HD2 PRO 48 HD2 PRO 48 5.200 -0.685 -8.582 395 HD3 PRO 48 HD3 PRO 48 5.020 0.628 -9.779 396 H VAL 49 H VAL 49 4.964 -3.302 -9.445 397 HA VAL 49 HA VAL 49 6.009 -5.675 -10.760 398 HB VAL 49 HB VAL 49 5.041 -5.198 -7.912 399 HG11 VAL 49 HG11 VAL 49 6.613 -7.556 -9.042 400 HG12 VAL 49 HG12 VAL 49 6.267 -7.254 -7.323 401 HG13 VAL 49 HG13 VAL 49 4.939 -7.605 -8.432 402 HG21 VAL 49 HG21 VAL 49 7.030 -3.873 -8.472 403 HG22 VAL 49 HG22 VAL 49 7.449 -5.234 -7.429 404 HG23 VAL 49 HG23 VAL 49 7.828 -5.318 -9.153 405 H ASN 50 H ASN 50 4.984 -7.414 -11.431 406 HA ASN 50 HA ASN 50 2.009 -7.625 -11.151 407 HB2 ASN 50 HB2 ASN 50 3.897 -8.206 -13.491 408 HB3 ASN 50 HB3 ASN 50 2.277 -8.861 -13.366 409 HD21 ASN 50 HD21 ASN 50 3.816 -5.492 -13.138 410 HD22 ASN 50 HD22 ASN 50 2.675 -4.895 -14.301 411 H VAL 51 H VAL 51 1.924 -9.129 -9.468 412 HA VAL 51 HA VAL 51 2.354 -11.870 -10.107 413 HB VAL 51 HB VAL 51 4.491 -11.448 -8.924 414 HG11 VAL 51 HG11 VAL 51 3.997 -9.444 -7.701 415 HG12 VAL 51 HG12 VAL 51 2.872 -10.334 -6.653 416 HG13 VAL 51 HG13 VAL 51 4.611 -10.730 -6.653 417 HG21 VAL 51 HG21 VAL 51 2.779 -12.774 -6.850 418 HG22 VAL 51 HG22 VAL 51 3.212 -13.580 -8.397 419 HG23 VAL 51 HG23 VAL 51 4.467 -13.059 -7.267 420 H GLN 52 H GLN 52 0.854 -13.108 -8.410 421 HA GLN 52 HA GLN 52 -0.637 -11.180 -6.795 422 HB2 GLN 52 HB2 GLN 52 -2.758 -12.208 -7.361 423 HB3 GLN 52 HB3 GLN 52 -1.933 -11.186 -8.569 424 HG2 GLN 52 HG2 GLN 52 -1.916 -12.626 -10.054 425 HG3 GLN 52 HG3 GLN 52 -1.328 -13.954 -8.994 426 HE21 GLN 52 HE21 GLN 52 -2.987 -15.096 -7.674 427 HE22 GLN 52 HE22 GLN 52 -4.671 -14.991 -8.028 428 H LYS 53 H LYS 53 1.140 -13.892 -6.698 429 HA LYS 53 HA LYS 53 -0.017 -15.717 -5.020 430 HB2 LYS 53 HB2 LYS 53 2.240 -15.820 -5.887 431 HB3 LYS 53 HB3 LYS 53 2.764 -14.505 -4.826 432 HG2 LYS 53 HG2 LYS 53 2.573 -15.872 -2.872 433 HG3 LYS 53 HG3 LYS 53 1.696 -17.153 -3.746 434 HD2 LYS 53 HD2 LYS 53 3.599 -17.787 -4.998 435 HD3 LYS 53 HD3 LYS 53 4.419 -16.249 -4.676 436 HE2 LYS 53 HE2 LYS 53 4.651 -16.890 -2.284 437 HE3 LYS 53 HE3 LYS 53 4.002 -18.489 -2.659 438 HZ1 LYS 53 HZ1 LYS 53 5.906 -18.975 -3.925 439 HZ2 LYS 53 HZ2 LYS 53 6.501 -18.167 -2.645 440 HZ3 LYS 53 HZ3 LYS 53 6.342 -17.406 -4.113 441 H MET 54 H MET 54 -1.083 -15.704 -3.126 442 HA MET 54 HA MET 54 -1.028 -13.285 -1.464 443 HB2 MET 54 HB2 MET 54 -3.304 -15.234 -1.459 444 HB3 MET 54 HB3 MET 54 -3.284 -13.508 -1.042 445 HG2 MET 54 HG2 MET 54 -3.121 -13.037 -3.479 446 HG3 MET 54 HG3 MET 54 -3.223 -14.811 -3.710 447 HE1 MET 54 HE1 MET 54 -6.769 -15.830 -3.204 448 HE2 MET 54 HE2 MET 54 -5.165 -16.251 -3.825 449 HE3 MET 54 HE3 MET 54 -5.413 -16.029 -2.080 450 H GLU 55 H GLU 55 0.662 -14.010 -0.078 451 HA GLU 55 HA GLU 55 0.676 -16.694 1.055 452 HB2 GLU 55 HB2 GLU 55 2.082 -14.071 1.603 453 HB3 GLU 55 HB3 GLU 55 2.266 -15.414 2.737 454 HG2 GLU 55 HG2 GLU 55 2.883 -15.566 -0.254 455 HG3 GLU 55 HG3 GLU 55 4.090 -15.329 1.007 456 H ASN 56 H ASN 56 -0.912 -13.603 1.975 457 HA ASN 56 HA ASN 56 -2.184 -14.833 4.275 458 HB2 ASN 56 HB2 ASN 56 -1.390 -12.962 5.525 459 HB3 ASN 56 HB3 ASN 56 -0.025 -13.920 4.992 460 HD21 ASN 56 HD21 ASN 56 -0.737 -10.888 5.763 461 HD22 ASN 56 HD22 ASN 56 0.280 -10.043 4.650 462 HA PRO 57 HA PRO 57 -4.949 -11.712 2.022 463 HB2 PRO 57 HB2 PRO 57 -6.969 -13.631 1.422 464 HB3 PRO 57 HB3 PRO 57 -5.920 -12.760 0.293 465 HG2 PRO 57 HG2 PRO 57 -5.763 -15.561 1.187 466 HG3 PRO 57 HG3 PRO 57 -4.992 -14.789 -0.237 467 HD2 PRO 57 HD2 PRO 57 -3.735 -15.528 2.223 468 HD3 PRO 57 HD3 PRO 57 -3.051 -14.493 0.954 469 H ARG 58 H ARG 58 -7.155 -11.237 2.747 470 HA ARG 58 HA ARG 58 -8.274 -12.440 5.121 471 HB2 ARG 58 HB2 ARG 58 -7.459 -9.488 5.122 472 HB3 ARG 58 HB3 ARG 58 -8.348 -10.307 6.379 473 HG2 ARG 58 HG2 ARG 58 -5.457 -10.997 5.667 474 HG3 ARG 58 HG3 ARG 58 -5.933 -9.826 6.890 475 HD2 ARG 58 HD2 ARG 58 -7.292 -11.519 8.028 476 HD3 ARG 58 HD3 ARG 58 -6.868 -12.738 6.844 477 HE ARG 58 HE ARG 58 -5.106 -11.462 8.880 478 HH11 ARG 58 HH11 ARG 58 -5.441 -14.025 6.381 479 HH12 ARG 58 HH12 ARG 58 -4.225 -15.029 7.141 480 HH21 ARG 58 HH21 ARG 58 -3.518 -12.838 9.789 481 HH22 ARG 58 HH22 ARG 58 -3.078 -14.293 8.977 482 H GLU 59 H GLU 59 -10.365 -10.944 5.537 483 HA GLU 59 HA GLU 59 -11.227 -9.594 2.999 484 HB2 GLU 59 HB2 GLU 59 -12.903 -11.142 4.994 485 HB3 GLU 59 HB3 GLU 59 -13.556 -10.084 3.722 486 HG2 GLU 59 HG2 GLU 59 -12.308 -11.363 2.003 487 HG3 GLU 59 HG3 GLU 59 -11.745 -12.478 3.239 488 H VAL 60 H VAL 60 -10.160 -8.880 6.093 489 HA VAL 60 HA VAL 60 -10.991 -6.152 5.856 490 HB VAL 60 HB VAL 60 -12.824 -7.010 6.956 491 HG11 VAL 60 HG11 VAL 60 -11.148 -8.659 8.781 492 HG12 VAL 60 HG12 VAL 60 -12.900 -8.328 8.979 493 HG13 VAL 60 HG13 VAL 60 -12.346 -9.182 7.553 494 HG21 VAL 60 HG21 VAL 60 -11.001 -6.011 9.197 495 HG22 VAL 60 HG22 VAL 60 -12.045 -5.009 8.170 496 HG23 VAL 60 HG23 VAL 60 -12.731 -6.141 9.335 497 H VAL 61 H VAL 61 -9.805 -4.839 7.382 498 HA VAL 61 HA VAL 61 -7.223 -5.916 8.335 499 HB VAL 61 HB VAL 61 -6.168 -4.032 7.104 500 HG11 VAL 61 HG11 VAL 61 -6.193 -6.316 6.108 501 HG12 VAL 61 HG12 VAL 61 -7.610 -5.838 5.142 502 HG13 VAL 61 HG13 VAL 61 -6.063 -5.004 4.919 503 HG21 VAL 61 HG21 VAL 61 -8.808 -3.739 5.609 504 HG22 VAL 61 HG22 VAL 61 -8.212 -2.595 6.837 505 HG23 VAL 61 HG23 VAL 61 -7.301 -2.845 5.347 506 H GLU 62 H GLU 62 -6.036 -3.846 9.352 507 HA GLU 62 HA GLU 62 -7.955 -2.283 11.002 508 HB2 GLU 62 HB2 GLU 62 -4.904 -2.459 11.053 509 HB3 GLU 62 HB3 GLU 62 -5.901 -1.467 12.122 510 HG2 GLU 62 HG2 GLU 62 -7.137 -3.748 12.649 511 HG3 GLU 62 HG3 GLU 62 -5.633 -4.442 12.037 512 H ILE 63 H ILE 63 -6.988 -0.006 11.318 513 HA ILE 63 HA ILE 63 -7.149 1.467 8.754 514 HB ILE 63 HB ILE 63 -6.760 2.598 11.568 515 HG12 ILE 63 HG12 ILE 63 -9.353 2.227 10.028 516 HG13 ILE 63 HG13 ILE 63 -8.874 1.188 11.394 517 HG21 ILE 63 HG21 ILE 63 -7.882 3.788 8.992 518 HG22 ILE 63 HG22 ILE 63 -7.852 4.650 10.543 519 HG23 ILE 63 HG23 ILE 63 -6.360 4.267 9.750 520 HD11 ILE 63 HD11 ILE 63 -8.792 3.286 12.819 521 HD12 ILE 63 HD12 ILE 63 -9.685 4.096 11.515 522 HD13 ILE 63 HD13 ILE 63 -10.401 2.703 12.319 523 H GLY 64 H GLY 64 -4.700 -0.267 9.845 524 HA2 GLY 64 HA2 GLY 64 -2.557 1.518 9.074 525 HA3 GLY 64 HA3 GLY 64 -2.579 1.117 10.802 526 H ASP 65 H ASP 65 -3.571 -0.635 7.931 527 HA ASP 65 HA ASP 65 -1.466 -2.666 8.008 528 HB2 ASP 65 HB2 ASP 65 -4.448 -2.963 7.487 529 HB3 ASP 65 HB3 ASP 65 -3.339 -4.035 6.691 530 H VAL 66 H VAL 66 -2.430 -3.423 5.256 531 HA VAL 66 HA VAL 66 -2.899 -1.088 3.637 532 HB VAL 66 HB VAL 66 -0.158 -1.119 4.010 533 HG11 VAL 66 HG11 VAL 66 0.339 -2.674 4.681 534 HG12 VAL 66 HG12 VAL 66 -0.650 -3.848 3.702 535 HG13 VAL 66 HG13 VAL 66 0.689 -3.019 2.863 536 HG21 VAL 66 HG21 VAL 66 -1.016 -1.846 1.164 537 HG22 VAL 66 HG22 VAL 66 -1.083 -0.203 1.865 538 HG23 VAL 66 HG23 VAL 66 0.477 -1.047 1.777 539 H GLY 67 H GLY 67 -3.048 -2.270 1.194 540 HA2 GLY 67 HA2 GLY 67 -3.140 -5.235 1.421 541 HA3 GLY 67 HA3 GLY 67 -4.558 -4.389 0.789 542 H TYR 68 H TYR 68 -2.664 -6.305 -0.556 543 HA TYR 68 HA TYR 68 -2.000 -4.582 -2.895 544 HB2 TYR 68 HB2 TYR 68 -0.139 -6.012 -2.181 545 HB3 TYR 68 HB3 TYR 68 -1.166 -7.440 -2.252 546 HD1 TYR 68 HD1 TYR 68 -1.123 -4.716 -4.850 547 HD2 TYR 68 HD2 TYR 68 0.098 -8.728 -3.870 548 HE1 TYR 68 HE1 TYR 68 -0.332 -4.974 -7.112 549 HE2 TYR 68 HE2 TYR 68 0.895 -9.024 -6.198 550 HH TYR 68 HH TYR 68 0.679 -6.418 -8.664 551 H TRP 69 H TRP 69 -3.400 -4.583 -4.561 552 HA TRP 69 HA TRP 69 -5.654 -6.442 -4.553 553 HB2 TRP 69 HB2 TRP 69 -5.981 -3.984 -4.186 554 HB3 TRP 69 HB3 TRP 69 -5.449 -3.715 -5.831 555 HD1 TRP 69 HD1 TRP 69 -8.044 -6.251 -4.338 556 HE1 TRP 69 HE1 TRP 69 -10.324 -5.876 -5.528 557 HE3 TRP 69 HE3 TRP 69 -6.762 -2.422 -7.522 558 HZ2 TRP 69 HZ2 TRP 69 -11.451 -4.086 -7.336 559 HZ3 TRP 69 HZ3 TRP 69 -8.490 -1.392 -8.944 560 HH2 TRP 69 HH2 TRP 69 -10.855 -2.170 -8.824 561 HA PRO 70 HA PRO 70 -2.954 -7.860 -7.903 562 HB2 PRO 70 HB2 PRO 70 -3.915 -10.381 -8.294 563 HB3 PRO 70 HB3 PRO 70 -2.906 -9.901 -6.895 564 HG2 PRO 70 HG2 PRO 70 -5.847 -10.343 -6.919 565 HG3 PRO 70 HG3 PRO 70 -4.654 -10.735 -5.653 566 HD2 PRO 70 HD2 PRO 70 -6.292 -8.431 -5.724 567 HD3 PRO 70 HD3 PRO 70 -4.947 -8.602 -4.725 568 HA PRO 71 HA PRO 71 -6.553 -8.592 -10.965 569 HB2 PRO 71 HB2 PRO 71 -8.955 -7.278 -10.639 570 HB3 PRO 71 HB3 PRO 71 -8.621 -8.934 -10.051 571 HG2 PRO 71 HG2 PRO 71 -8.547 -6.346 -8.486 572 HG3 PRO 71 HG3 PRO 71 -9.106 -7.964 -7.897 573 HD2 PRO 71 HD2 PRO 71 -6.823 -7.048 -7.252 574 HD3 PRO 71 HD3 PRO 71 -7.150 -8.796 -7.553 575 H GLY 72 H GLY 72 -6.449 -5.407 -9.291 576 HA2 GLY 72 HA2 GLY 72 -6.205 -3.946 -11.808 577 HA3 GLY 72 HA3 GLY 72 -6.233 -3.291 -10.175 578 H LYS 73 H LYS 73 -3.945 -5.569 -9.751 579 HA LYS 73 HA LYS 73 -1.698 -5.313 -9.251 580 HB2 LYS 73 HB2 LYS 73 -1.648 -4.268 -12.084 581 HB3 LYS 73 HB3 LYS 73 -0.221 -4.333 -11.081 582 HG2 LYS 73 HG2 LYS 73 0.081 -6.505 -11.407 583 HG3 LYS 73 HG3 LYS 73 -1.551 -6.918 -10.891 584 HD2 LYS 73 HD2 LYS 73 -0.887 -5.862 -13.667 585 HD3 LYS 73 HD3 LYS 73 -0.915 -7.587 -13.283 586 HE2 LYS 73 HE2 LYS 73 -3.298 -5.766 -12.753 587 HE3 LYS 73 HE3 LYS 73 -3.000 -6.517 -14.318 588 HZ1 LYS 73 HZ1 LYS 73 -3.431 -7.978 -11.791 589 HZ2 LYS 73 HZ2 LYS 73 -3.067 -8.667 -13.274 590 HZ3 LYS 73 HZ3 LYS 73 -4.461 -7.872 -13.053 591 H ALA 74 H ALA 74 -3.152 -3.680 -7.838 592 HA ALA 74 HA ALA 74 -1.637 -1.141 -7.846 593 HB1 ALA 74 HB1 ALA 74 -3.662 0.101 -7.283 594 HB2 ALA 74 HB2 ALA 74 -3.876 -0.692 -8.855 595 HB3 ALA 74 HB3 ALA 74 -4.647 -1.368 -7.400 596 H LEU 75 H LEU 75 -1.641 -0.187 -5.746 597 HA LEU 75 HA LEU 75 -1.821 -2.171 -3.517 598 HB2 LEU 75 HB2 LEU 75 -0.199 0.327 -4.043 599 HB3 LEU 75 HB3 LEU 75 -0.716 0.084 -2.386 600 HG LEU 75 HG LEU 75 1.531 -0.868 -2.913 601 HD11 LEU 75 HD11 LEU 75 1.200 -2.940 -1.694 602 HD12 LEU 75 HD12 LEU 75 -0.493 -3.005 -2.106 603 HD13 LEU 75 HD13 LEU 75 0.075 -1.730 -1.026 604 HD21 LEU 75 HD21 LEU 75 0.593 -1.779 -5.205 605 HD22 LEU 75 HD22 LEU 75 0.122 -3.163 -4.279 606 HD23 LEU 75 HD23 LEU 75 1.839 -2.715 -4.327 607 H CYS 76 H CYS 76 -2.536 -1.041 -1.448 608 HA CYS 76 HA CYS 76 -4.453 1.148 -1.728 609 HB2 CYS 76 HB2 CYS 76 -5.242 -1.672 -0.852 610 HB3 CYS 76 HB3 CYS 76 -6.199 -0.251 -0.471 611 HG CYS 76 HG CYS 76 -6.931 0.345 -2.850 612 H LEU 77 H LEU 77 -4.149 2.438 -0.145 613 HA LEU 77 HA LEU 77 -3.061 1.539 2.442 614 HB2 LEU 77 HB2 LEU 77 -2.980 4.076 0.725 615 HB3 LEU 77 HB3 LEU 77 -2.928 4.229 2.471 616 HG LEU 77 HG LEU 77 -1.079 2.542 2.453 617 HD11 LEU 77 HD11 LEU 77 0.445 2.424 0.632 618 HD12 LEU 77 HD12 LEU 77 -0.882 3.034 -0.448 619 HD13 LEU 77 HD13 LEU 77 -1.054 1.499 0.434 620 HD21 LEU 77 HD21 LEU 77 -0.559 5.205 1.068 621 HD22 LEU 77 HD22 LEU 77 0.646 4.286 2.012 622 HD23 LEU 77 HD23 LEU 77 -0.749 4.994 2.820 623 H PHE 78 H PHE 78 -4.732 1.347 4.010 624 HA PHE 78 HA PHE 78 -7.214 2.925 3.524 625 HB2 PHE 78 HB2 PHE 78 -7.108 0.606 5.446 626 HB3 PHE 78 HB3 PHE 78 -8.432 1.227 4.510 627 HD1 PHE 78 HD1 PHE 78 -8.573 0.704 2.028 628 HD2 PHE 78 HD2 PHE 78 -5.737 -1.254 4.685 629 HE1 PHE 78 HE1 PHE 78 -8.371 -1.199 0.466 630 HE2 PHE 78 HE2 PHE 78 -5.588 -3.124 3.096 631 HZ PHE 78 HZ PHE 78 -6.892 -3.073 0.946 632 H PHE 79 H PHE 79 -7.135 4.791 4.770 633 HA PHE 79 HA PHE 79 -5.857 4.634 7.467 634 HB2 PHE 79 HB2 PHE 79 -5.044 6.940 6.982 635 HB3 PHE 79 HB3 PHE 79 -4.362 5.677 5.988 636 HD1 PHE 79 HD1 PHE 79 -6.772 8.515 5.995 637 HD2 PHE 79 HD2 PHE 79 -4.719 5.563 3.654 638 HE1 PHE 79 HE1 PHE 79 -7.388 9.743 3.890 639 HE2 PHE 79 HE2 PHE 79 -5.363 6.734 1.575 640 HZ PHE 79 HZ PHE 79 -6.666 8.900 1.705 641 H GLY 80 H GLY 80 -8.778 4.674 6.362 642 HA2 GLY 80 HA2 GLY 80 -9.845 5.618 8.773 643 HA3 GLY 80 HA3 GLY 80 -10.334 6.724 7.489 644 H LYS 81 H LYS 81 -12.358 6.060 6.721 645 HA LYS 81 HA LYS 81 -12.798 3.108 6.410 646 HB2 LYS 81 HB2 LYS 81 -13.665 4.302 8.567 647 HB3 LYS 81 HB3 LYS 81 -14.954 4.911 7.551 648 HG2 LYS 81 HG2 LYS 81 -14.270 1.937 7.671 649 HG3 LYS 81 HG3 LYS 81 -15.195 2.697 8.950 650 HD2 LYS 81 HD2 LYS 81 -16.722 3.531 6.947 651 HD3 LYS 81 HD3 LYS 81 -15.951 2.179 6.093 652 HE2 LYS 81 HE2 LYS 81 -17.547 2.048 8.709 653 HE3 LYS 81 HE3 LYS 81 -18.112 1.515 7.131 654 HZ1 LYS 81 HZ1 LYS 81 -17.461 -0.273 8.379 655 HZ2 LYS 81 HZ2 LYS 81 -15.953 0.289 8.695 656 HZ3 LYS 81 HZ3 LYS 81 -16.398 -0.142 7.126 657 H THR 82 H THR 82 -12.969 2.768 4.279 658 HA THR 82 HA THR 82 -13.885 4.593 2.344 659 HB THR 82 HB THR 82 -13.893 2.356 0.977 660 HG1 THR 82 HG1 THR 82 -12.457 0.870 2.269 661 HG21 THR 82 HG21 THR 82 -12.036 3.927 0.819 662 HG22 THR 82 HG22 THR 82 -11.409 2.273 0.963 663 HG23 THR 82 HG23 THR 82 -11.372 3.358 2.358 664 HA PRO 83 HA PRO 83 -18.251 3.668 1.926 665 HB2 PRO 83 HB2 PRO 83 -18.656 3.911 -0.748 666 HB3 PRO 83 HB3 PRO 83 -18.225 5.294 0.298 667 HG2 PRO 83 HG2 PRO 83 -16.341 3.582 -1.368 668 HG3 PRO 83 HG3 PRO 83 -16.506 5.372 -1.381 669 HD2 PRO 83 HD2 PRO 83 -14.625 4.162 0.118 670 HD3 PRO 83 HD3 PRO 83 -15.515 5.570 0.757 671 H MET 84 H MET 84 -16.055 1.305 1.599 672 HA MET 84 HA MET 84 -17.952 -0.650 0.411 673 HB2 MET 84 HB2 MET 84 -15.050 -0.262 -0.138 674 HB3 MET 84 HB3 MET 84 -15.613 -1.928 0.017 675 HG2 MET 84 HG2 MET 84 -16.991 0.049 -1.813 676 HG3 MET 84 HG3 MET 84 -15.672 -1.020 -2.321 677 HE1 MET 84 HE1 MET 84 -17.404 -1.757 -4.278 678 HE2 MET 84 HE2 MET 84 -18.946 -2.571 -3.924 679 HE3 MET 84 HE3 MET 84 -18.747 -0.850 -3.538 680 H SER 85 H SER 85 -18.788 -0.736 2.541 681 HA SER 85 HA SER 85 -18.162 -3.031 3.873 682 HB2 SER 85 HB2 SER 85 -17.341 -2.051 6.101 683 HB3 SER 85 HB3 SER 85 -16.168 -2.280 4.844 684 HG SER 85 HG SER 85 -15.794 -0.256 4.810 685 H ASP 86 H ASP 86 -19.309 -2.885 6.170 686 HA ASP 86 HA ASP 86 -20.679 -0.351 6.475 687 HB2 ASP 86 HB2 ASP 86 -22.452 -2.179 5.834 688 HB3 ASP 86 HB3 ASP 86 -22.214 -2.767 7.482 689 H ASP 87 H ASP 87 -20.079 -3.506 8.072 690 HA ASP 87 HA ASP 87 -19.885 -2.172 10.579 691 HB2 ASP 87 HB2 ASP 87 -19.291 -5.042 9.726 692 HB3 ASP 87 HB3 ASP 87 -19.098 -4.533 11.397 693 H LYS 88 H LYS 88 -17.313 -3.389 8.491 694 HA LYS 88 HA LYS 88 -15.218 -2.662 10.482 695 HB2 LYS 88 HB2 LYS 88 -14.221 -4.820 10.296 696 HB3 LYS 88 HB3 LYS 88 -15.900 -5.036 10.752 697 HG2 LYS 88 HG2 LYS 88 -16.288 -5.310 8.118 698 HG3 LYS 88 HG3 LYS 88 -14.561 -5.623 8.111 699 HD2 LYS 88 HD2 LYS 88 -15.506 -7.757 8.244 700 HD3 LYS 88 HD3 LYS 88 -15.084 -7.424 9.932 701 HE2 LYS 88 HE2 LYS 88 -17.692 -6.295 9.384 702 HE3 LYS 88 HE3 LYS 88 -17.689 -7.909 8.690 703 HZ1 LYS 88 HZ1 LYS 88 -18.465 -7.735 10.995 704 HZ2 LYS 88 HZ2 LYS 88 -16.896 -7.412 11.485 705 HZ3 LYS 88 HZ3 LYS 88 -17.285 -8.837 10.783 706 H ILE 89 H ILE 89 -12.964 -2.590 9.240 707 HA ILE 89 HA ILE 89 -13.574 -1.194 6.734 708 HB ILE 89 HB ILE 89 -11.000 -1.489 8.335 709 HG12 ILE 89 HG12 ILE 89 -12.148 1.217 8.024 710 HG13 ILE 89 HG13 ILE 89 -13.303 0.141 8.797 711 HG21 ILE 89 HG21 ILE 89 -10.108 0.392 6.952 712 HG22 ILE 89 HG22 ILE 89 -10.359 -1.080 6.016 713 HG23 ILE 89 HG23 ILE 89 -11.519 0.260 5.879 714 HD11 ILE 89 HD11 ILE 89 -11.754 1.417 10.322 715 HD12 ILE 89 HD12 ILE 89 -11.824 -0.346 10.587 716 HD13 ILE 89 HD13 ILE 89 -10.441 0.363 9.723 717 H GLN 90 H GLN 90 -14.277 -2.983 5.675 718 HA GLN 90 HA GLN 90 -12.505 -5.011 4.668 719 HB2 GLN 90 HB2 GLN 90 -15.268 -4.106 3.727 720 HB3 GLN 90 HB3 GLN 90 -14.442 -5.609 3.276 721 HG2 GLN 90 HG2 GLN 90 -14.349 -6.278 5.656 722 HG3 GLN 90 HG3 GLN 90 -15.185 -4.808 6.127 723 HE21 GLN 90 HE21 GLN 90 -15.523 -7.964 4.884 724 HE22 GLN 90 HE22 GLN 90 -17.268 -8.037 4.949 725 HA PRO 91 HA PRO 91 -11.306 -2.522 1.008 726 HB2 PRO 91 HB2 PRO 91 -9.902 -4.447 -0.343 727 HB3 PRO 91 HB3 PRO 91 -9.283 -3.652 1.115 728 HG2 PRO 91 HG2 PRO 91 -10.526 -6.367 0.876 729 HG3 PRO 91 HG3 PRO 91 -9.193 -5.795 1.947 730 HD2 PRO 91 HD2 PRO 91 -11.862 -6.166 2.658 731 HD3 PRO 91 HD3 PRO 91 -10.629 -5.233 3.567 732 H ALA 92 H ALA 92 -11.222 -3.037 -1.423 733 HA ALA 92 HA ALA 92 -13.680 -3.626 -2.549 734 HB1 ALA 92 HB1 ALA 92 -10.875 -3.889 -3.734 735 HB2 ALA 92 HB2 ALA 92 -12.355 -3.750 -4.690 736 HB3 ALA 92 HB3 ALA 92 -11.842 -2.403 -3.668 737 H SER 93 H SER 93 -11.072 -5.904 -1.732 738 HA SER 93 HA SER 93 -12.665 -8.215 -1.783 739 HB2 SER 93 HB2 SER 93 -11.253 -7.528 -4.351 740 HB3 SER 93 HB3 SER 93 -11.093 -9.177 -3.790 741 HG SER 93 HG SER 93 -12.922 -8.709 -5.176 742 H ALA 94 H ALA 94 -11.133 -10.191 -1.793 743 HA ALA 94 HA ALA 94 -9.468 -10.039 0.396 744 HB1 ALA 94 HB1 ALA 94 -8.656 -12.268 -0.226 745 HB2 ALA 94 HB2 ALA 94 -10.417 -12.126 -0.376 746 HB3 ALA 94 HB3 ALA 94 -9.391 -12.087 -1.834 747 H VAL 95 H VAL 95 -7.872 -8.613 0.509 748 HA VAL 95 HA VAL 95 -5.732 -8.602 -1.600 749 HB VAL 95 HB VAL 95 -5.095 -6.389 -0.702 750 HG11 VAL 95 HG11 VAL 95 -6.238 -5.834 -2.521 751 HG12 VAL 95 HG12 VAL 95 -7.552 -6.968 -2.198 752 HG13 VAL 95 HG13 VAL 95 -7.550 -5.367 -1.444 753 HG21 VAL 95 HG21 VAL 95 -7.566 -6.672 0.977 754 HG22 VAL 95 HG22 VAL 95 -5.901 -6.385 1.528 755 HG23 VAL 95 HG23 VAL 95 -6.780 -5.133 0.653 756 H ASN 96 H ASN 96 -3.637 -8.874 -1.108 757 HA ASN 96 HA ASN 96 -3.115 -10.433 1.267 758 HB2 ASN 96 HB2 ASN 96 -2.166 -10.615 -1.208 759 HB3 ASN 96 HB3 ASN 96 -0.952 -9.461 -0.643 760 HD21 ASN 96 HD21 ASN 96 0.908 -10.791 -0.153 761 HD22 ASN 96 HD22 ASN 96 0.734 -12.215 0.840 762 H VAL 97 H VAL 97 -2.251 -9.685 3.237 763 HA VAL 97 HA VAL 97 -2.028 -6.758 3.353 764 HB VAL 97 HB VAL 97 -2.134 -8.809 5.608 765 HG11 VAL 97 HG11 VAL 97 -1.249 -6.567 6.287 766 HG12 VAL 97 HG12 VAL 97 -2.687 -5.813 5.578 767 HG13 VAL 97 HG13 VAL 97 -2.846 -6.884 6.986 768 HG21 VAL 97 HG21 VAL 97 -4.369 -7.225 4.286 769 HG22 VAL 97 HG22 VAL 97 -4.192 -9.005 4.316 770 HG23 VAL 97 HG23 VAL 97 -4.520 -8.133 5.813 771 H ILE 98 H ILE 98 0.024 -6.874 2.074 772 HA ILE 98 HA ILE 98 2.251 -8.266 3.375 773 HB ILE 98 HB ILE 98 3.527 -7.690 1.342 774 HG12 ILE 98 HG12 ILE 98 0.902 -6.498 0.355 775 HG13 ILE 98 HG13 ILE 98 2.336 -5.557 0.810 776 HG21 ILE 98 HG21 ILE 98 0.815 -8.917 0.736 777 HG22 ILE 98 HG22 ILE 98 2.379 -9.281 -0.055 778 HG23 ILE 98 HG23 ILE 98 2.093 -9.759 1.626 779 HD11 ILE 98 HD11 ILE 98 2.215 -5.718 -1.563 780 HD12 ILE 98 HD12 ILE 98 3.604 -6.683 -1.010 781 HD13 ILE 98 HD13 ILE 98 2.072 -7.470 -1.514 782 H GLY 99 H GLY 99 1.318 -4.877 2.963 783 HA2 GLY 99 HA2 GLY 99 3.582 -3.489 4.257 784 HA3 GLY 99 HA3 GLY 99 2.262 -2.972 3.960 785 H LYS 100 H LYS 100 3.389 -2.865 6.569 786 HA LYS 100 HA LYS 100 0.616 -2.932 7.428 787 HB2 LYS 100 HB2 LYS 100 2.802 -1.940 9.165 788 HB3 LYS 100 HB3 LYS 100 1.325 -2.703 9.587 789 HG2 LYS 100 HG2 LYS 100 4.069 -3.691 9.121 790 HG3 LYS 100 HG3 LYS 100 2.981 -3.927 10.522 791 HD2 LYS 100 HD2 LYS 100 1.511 -5.167 8.649 792 HD3 LYS 100 HD3 LYS 100 3.076 -5.290 7.856 793 HE2 LYS 100 HE2 LYS 100 2.708 -7.360 8.843 794 HE3 LYS 100 HE3 LYS 100 3.977 -6.593 9.787 795 HZ1 LYS 100 HZ1 LYS 100 2.529 -6.262 11.521 796 HZ2 LYS 100 HZ2 LYS 100 2.117 -7.744 10.940 797 HZ3 LYS 100 HZ3 LYS 100 1.162 -6.436 10.599 798 H ILE 101 H ILE 101 -0.066 -0.582 7.436 799 HA ILE 101 HA ILE 101 1.997 1.317 6.543 800 HB ILE 101 HB ILE 101 -0.851 1.671 7.489 801 HG12 ILE 101 HG12 ILE 101 0.314 2.346 4.741 802 HG13 ILE 101 HG13 ILE 101 -0.235 0.686 5.091 803 HG21 ILE 101 HG21 ILE 101 -0.533 4.137 6.817 804 HG22 ILE 101 HG22 ILE 101 0.457 3.736 8.179 805 HG23 ILE 101 HG23 ILE 101 1.193 3.813 6.587 806 HD11 ILE 101 HD11 ILE 101 -1.823 3.322 5.087 807 HD12 ILE 101 HD12 ILE 101 -2.208 1.759 4.307 808 HD13 ILE 101 HD13 ILE 101 -2.415 1.957 6.051 809 H VAL 102 H VAL 102 3.366 0.592 8.465 810 HA VAL 102 HA VAL 102 2.461 0.794 11.158 811 HB VAL 102 HB VAL 102 4.664 0.744 11.984 812 HG11 VAL 102 HG11 VAL 102 4.707 -0.719 9.315 813 HG12 VAL 102 HG12 VAL 102 5.733 -1.054 10.732 814 HG13 VAL 102 HG13 VAL 102 3.997 -1.323 10.836 815 HG21 VAL 102 HG21 VAL 102 5.418 1.928 9.332 816 HG22 VAL 102 HG22 VAL 102 5.831 2.479 10.974 817 HG23 VAL 102 HG23 VAL 102 6.640 1.057 10.341 818 H GLU 103 H GLU 103 3.867 3.431 9.071 819 HA GLU 103 HA GLU 103 3.079 5.466 11.049 820 HB2 GLU 103 HB2 GLU 103 5.729 4.535 10.194 821 HB3 GLU 103 HB3 GLU 103 5.462 6.127 9.533 822 HG2 GLU 103 HG2 GLU 103 4.903 5.532 12.462 823 HG3 GLU 103 HG3 GLU 103 6.506 5.905 11.808 824 H GLY 104 H GLY 104 2.637 7.450 10.121 825 HA2 GLY 104 HA2 GLY 104 1.957 8.886 8.246 826 HA3 GLY 104 HA3 GLY 104 2.706 7.716 7.273 827 H LEU 105 H LEU 105 0.132 8.060 9.524 828 HA LEU 105 HA LEU 105 -1.896 6.880 7.739 829 HB2 LEU 105 HB2 LEU 105 -1.351 6.570 10.439 830 HB3 LEU 105 HB3 LEU 105 -2.626 7.796 10.477 831 HG LEU 105 HG LEU 105 -3.928 6.219 8.897 832 HD11 LEU 105 HD11 LEU 105 -2.992 4.247 8.278 833 HD12 LEU 105 HD12 LEU 105 -2.516 3.861 9.946 834 HD13 LEU 105 HD13 LEU 105 -1.457 4.822 8.926 835 HD21 LEU 105 HD21 LEU 105 -4.535 6.619 11.169 836 HD22 LEU 105 HD22 LEU 105 -3.257 5.531 11.780 837 HD23 LEU 105 HD23 LEU 105 -4.626 4.848 10.896 838 H GLU 106 H GLU 106 -1.642 9.839 9.906 839 HA GLU 106 HA GLU 106 -3.986 10.888 8.641 840 HB2 GLU 106 HB2 GLU 106 -2.063 12.560 10.291 841 HB3 GLU 106 HB3 GLU 106 -3.781 12.790 9.997 842 HG2 GLU 106 HG2 GLU 106 -3.884 10.341 11.151 843 HG3 GLU 106 HG3 GLU 106 -2.366 10.912 11.842 844 H ASP 107 H ASP 107 -0.578 11.107 8.032 845 HA ASP 107 HA ASP 107 -0.396 13.404 6.372 846 HB2 ASP 107 HB2 ASP 107 1.179 10.937 6.862 847 HB3 ASP 107 HB3 ASP 107 1.301 11.537 5.204 848 H LEU 108 H LEU 108 -1.988 10.290 5.763 849 HA LEU 108 HA LEU 108 -2.092 10.712 2.867 850 HB2 LEU 108 HB2 LEU 108 -3.618 8.815 4.682 851 HB3 LEU 108 HB3 LEU 108 -3.834 8.948 2.971 852 HG LEU 108 HG LEU 108 -2.443 7.172 2.906 853 HD11 LEU 108 HD11 LEU 108 -1.152 8.833 1.670 854 HD12 LEU 108 HD12 LEU 108 -0.109 7.667 2.506 855 HD13 LEU 108 HD13 LEU 108 -0.308 9.300 3.158 856 HD21 LEU 108 HD21 LEU 108 -2.373 6.891 5.278 857 HD22 LEU 108 HD22 LEU 108 -1.117 8.138 5.422 858 HD23 LEU 108 HD23 LEU 108 -0.773 6.616 4.581 859 H LYS 109 H LYS 109 -4.046 11.718 5.662 860 HA LYS 109 HA LYS 109 -6.467 12.171 4.147 861 HB2 LYS 109 HB2 LYS 109 -5.577 13.134 6.915 862 HB3 LYS 109 HB3 LYS 109 -7.177 13.349 6.217 863 HG2 LYS 109 HG2 LYS 109 -7.016 10.742 5.850 864 HG3 LYS 109 HG3 LYS 109 -5.905 10.842 7.231 865 HD2 LYS 109 HD2 LYS 109 -7.761 12.246 8.373 866 HD3 LYS 109 HD3 LYS 109 -8.827 11.709 7.063 867 HE2 LYS 109 HE2 LYS 109 -8.689 9.429 7.722 868 HE3 LYS 109 HE3 LYS 109 -7.254 9.732 8.716 869 HZ1 LYS 109 HZ1 LYS 109 -9.126 9.464 10.105 870 HZ2 LYS 109 HZ2 LYS 109 -10.012 10.616 9.337 871 HZ3 LYS 109 HZ3 LYS 109 -8.671 11.041 10.213 872 H LYS 110 H LYS 110 -3.725 13.644 3.490 873 HA LYS 110 HA LYS 110 -4.970 16.183 2.822 874 HB2 LYS 110 HB2 LYS 110 -2.975 17.241 3.680 875 HB3 LYS 110 HB3 LYS 110 -4.027 16.590 4.909 876 HG2 LYS 110 HG2 LYS 110 -2.084 15.972 5.877 877 HG3 LYS 110 HG3 LYS 110 -2.245 14.582 4.851 878 HD2 LYS 110 HD2 LYS 110 0.040 15.401 4.673 879 HD3 LYS 110 HD3 LYS 110 -0.766 15.764 3.153 880 HE2 LYS 110 HE2 LYS 110 0.347 17.789 3.669 881 HE3 LYS 110 HE3 LYS 110 -1.303 18.097 4.142 882 HZ1 LYS 110 HZ1 LYS 110 -0.158 17.094 6.394 883 HZ2 LYS 110 HZ2 LYS 110 -0.411 18.696 6.053 884 HZ3 LYS 110 HZ3 LYS 110 1.049 17.993 5.727 885 H ILE 111 H ILE 111 -4.116 13.672 1.272 886 HA ILE 111 HA ILE 111 -2.173 15.003 -0.564 887 HB ILE 111 HB ILE 111 -2.961 12.069 -0.550 888 HG12 ILE 111 HG12 ILE 111 -1.956 12.438 1.641 889 HG13 ILE 111 HG13 ILE 111 -0.974 11.414 0.620 890 HG21 ILE 111 HG21 ILE 111 -0.768 11.790 -1.716 891 HG22 ILE 111 HG22 ILE 111 -1.909 12.809 -2.598 892 HG23 ILE 111 HG23 ILE 111 -0.568 13.551 -1.708 893 HD11 ILE 111 HD11 ILE 111 0.555 13.390 0.199 894 HD12 ILE 111 HD12 ILE 111 -0.432 14.303 1.368 895 HD13 ILE 111 HD13 ILE 111 0.472 12.872 1.875 896 H LYS 112 H LYS 112 -2.794 15.329 -2.678 897 HA LYS 112 HA LYS 112 -5.660 15.231 -3.334 898 HB2 LYS 112 HB2 LYS 112 -3.342 16.289 -4.992 899 HB3 LYS 112 HB3 LYS 112 -5.029 16.484 -5.360 900 HG2 LYS 112 HG2 LYS 112 -3.909 17.529 -2.758 901 HG3 LYS 112 HG3 LYS 112 -3.754 18.440 -4.245 902 HD2 LYS 112 HD2 LYS 112 -6.098 18.730 -4.495 903 HD3 LYS 112 HD3 LYS 112 -6.465 17.397 -3.380 904 HE2 LYS 112 HE2 LYS 112 -5.300 18.692 -1.563 905 HE3 LYS 112 HE3 LYS 112 -5.240 20.089 -2.674 906 HZ1 LYS 112 HZ1 LYS 112 -7.730 19.797 -2.790 907 HZ2 LYS 112 HZ2 LYS 112 -7.152 20.358 -1.362 908 HZ3 LYS 112 HZ3 LYS 112 -7.580 18.765 -1.508 909 H ASP 113 H ASP 113 -5.984 14.614 -5.786 910 HA ASP 113 HA ASP 113 -5.266 11.799 -6.076 911 HB2 ASP 113 HB2 ASP 113 -7.553 12.833 -6.381 912 HB3 ASP 113 HB3 ASP 113 -6.920 13.574 -7.854 913 H GLY 114 H GLY 114 -2.969 13.309 -6.345 914 HA2 GLY 114 HA2 GLY 114 -1.704 12.244 -8.550 915 HA3 GLY 114 HA3 GLY 114 -2.336 13.760 -9.197 916 H GLU 115 H GLU 115 -0.582 12.592 -6.329 917 HA GLU 115 HA GLU 115 1.108 15.053 -6.280 918 HB2 GLU 115 HB2 GLU 115 0.008 13.297 -4.074 919 HB3 GLU 115 HB3 GLU 115 1.122 14.607 -3.775 920 HG2 GLU 115 HG2 GLU 115 -1.608 15.010 -5.020 921 HG3 GLU 115 HG3 GLU 115 -1.299 15.027 -3.296 922 H LYS 116 H LYS 116 1.649 12.503 -7.580 923 HA LYS 116 HA LYS 116 3.206 10.826 -7.820 924 HB2 LYS 116 HB2 LYS 116 4.574 13.426 -7.629 925 HB3 LYS 116 HB3 LYS 116 5.612 11.976 -7.598 926 HG2 LYS 116 HG2 LYS 116 4.448 11.046 -9.572 927 HG3 LYS 116 HG3 LYS 116 3.430 12.482 -9.623 928 HD2 LYS 116 HD2 LYS 116 5.824 13.721 -9.717 929 HD3 LYS 116 HD3 LYS 116 6.353 12.124 -10.273 930 HE2 LYS 116 HE2 LYS 116 5.755 13.057 -12.264 931 HE3 LYS 116 HE3 LYS 116 4.235 12.284 -11.864 932 HZ1 LYS 116 HZ1 LYS 116 4.867 15.123 -11.297 933 HZ2 LYS 116 HZ2 LYS 116 3.430 14.401 -11.005 934 HZ3 LYS 116 HZ3 LYS 116 3.952 14.607 -12.565 935 H VAL 117 H VAL 117 2.885 9.301 -6.189 936 HA VAL 117 HA VAL 117 4.244 9.662 -3.621 937 HB VAL 117 HB VAL 117 2.187 8.558 -3.546 938 HG11 VAL 117 HG11 VAL 117 2.052 7.427 -5.734 939 HG12 VAL 117 HG12 VAL 117 3.235 6.223 -5.165 940 HG13 VAL 117 HG13 VAL 117 1.657 6.384 -4.376 941 HG21 VAL 117 HG21 VAL 117 3.824 8.084 -1.893 942 HG22 VAL 117 HG22 VAL 117 2.777 6.683 -2.166 943 HG23 VAL 117 HG23 VAL 117 4.432 6.687 -2.831 944 H ALA 118 H ALA 118 6.373 9.626 -3.616 945 HA ALA 118 HA ALA 118 7.992 7.929 -5.391 946 HB1 ALA 118 HB1 ALA 118 9.861 9.057 -4.205 947 HB2 ALA 118 HB2 ALA 118 8.770 10.218 -5.001 948 HB3 ALA 118 HB3 ALA 118 8.692 9.985 -3.246 949 H VAL 119 H VAL 119 7.754 5.899 -4.766 950 HA VAL 119 HA VAL 119 7.750 4.891 -2.014 951 HB VAL 119 HB VAL 119 7.700 3.653 -4.818 952 HG11 VAL 119 HG11 VAL 119 6.978 1.559 -3.618 953 HG12 VAL 119 HG12 VAL 119 8.676 2.015 -3.418 954 HG13 VAL 119 HG13 VAL 119 7.490 2.329 -2.105 955 HG21 VAL 119 HG21 VAL 119 5.366 3.149 -4.420 956 HG22 VAL 119 HG22 VAL 119 5.444 3.823 -2.787 957 HG23 VAL 119 HG23 VAL 119 5.601 4.875 -4.212 958 H ARG 120 H ARG 120 9.785 4.723 -0.969 959 HA ARG 120 HA ARG 120 12.143 3.849 -2.597 960 HB2 ARG 120 HB2 ARG 120 12.697 5.583 -0.287 961 HB3 ARG 120 HB3 ARG 120 13.548 5.355 -1.794 962 HG2 ARG 120 HG2 ARG 120 11.676 6.601 -2.973 963 HG3 ARG 120 HG3 ARG 120 11.010 7.037 -1.403 964 HD2 ARG 120 HD2 ARG 120 13.780 7.581 -2.448 965 HD3 ARG 120 HD3 ARG 120 12.466 8.760 -2.451 966 HE ARG 120 HE ARG 120 14.152 9.076 -0.694 967 HH11 ARG 120 HH11 ARG 120 11.182 7.224 0.372 968 HH12 ARG 120 HH12 ARG 120 11.720 7.480 2.024 969 HH21 ARG 120 HH21 ARG 120 14.498 9.360 1.547 970 HH22 ARG 120 HH22 ARG 120 13.390 8.582 2.650 971 H PHE 121 H PHE 121 13.966 2.963 -0.801 972 HA PHE 121 HA PHE 121 12.566 0.812 0.608 973 HB2 PHE 121 HB2 PHE 121 15.472 1.590 0.257 974 HB3 PHE 121 HB3 PHE 121 14.978 0.281 1.286 975 HD1 PHE 121 HD1 PHE 121 13.374 -1.508 0.204 976 HD2 PHE 121 HD2 PHE 121 15.806 1.234 -1.995 977 HE1 PHE 121 HE1 PHE 121 13.329 -3.069 -1.744 978 HE2 PHE 121 HE2 PHE 121 15.893 -0.396 -3.948 979 HZ PHE 121 HZ PHE 121 14.687 -2.528 -3.792 980 H ALA 122 H ALA 122 13.605 3.723 1.473 981 HA ALA 122 HA ALA 122 13.474 5.044 3.491 982 HB1 ALA 122 HB1 ALA 122 12.324 4.384 5.323 983 HB2 ALA 122 HB2 ALA 122 11.612 3.314 4.079 984 HB3 ALA 122 HB3 ALA 122 12.815 2.694 5.202 985 H SER 123 H SER 123 15.858 5.494 3.669 986 HA SER 123 HA SER 123 17.364 3.618 5.353 987 HB2 SER 123 HB2 SER 123 17.963 5.397 3.093 988 HB3 SER 123 HB3 SER 123 19.106 5.471 4.400 989 HG SER 123 HG SER 123 19.818 3.613 3.798 990 H SER 124 H SER 124 15.194 5.233 6.406 991 HA SER 124 HA SER 124 14.662 6.622 8.070 992 HB2 SER 124 HB2 SER 124 17.569 6.349 8.931 993 HB3 SER 124 HB3 SER 124 16.230 6.951 9.889 994 HG SER 124 HG SER 124 15.370 4.676 8.953 Start of MODEL 7 1 H1 MET 1 H1 MET 1 10.945 -6.332 4.877 2 HA MET 1 HA MET 1 12.976 -4.640 3.549 3 HB2 MET 1 HB2 MET 1 12.669 -6.502 2.117 4 HB3 MET 1 HB3 MET 1 10.908 -6.432 2.276 5 HG2 MET 1 HG2 MET 1 10.711 -4.578 0.899 6 HG3 MET 1 HG3 MET 1 12.340 -3.991 1.234 7 HE1 MET 1 HE1 MET 1 14.333 -5.745 0.849 8 HE2 MET 1 HE2 MET 1 14.678 -6.085 -0.842 9 HE3 MET 1 HE3 MET 1 14.439 -4.407 -0.305 10 H ARG 2 H ARG 2 12.383 -2.808 4.623 11 HA ARG 2 HA ARG 2 9.612 -1.919 4.808 12 HB2 ARG 2 HB2 ARG 2 12.349 -0.622 5.051 13 HB3 ARG 2 HB3 ARG 2 10.788 0.226 5.288 14 HG2 ARG 2 HG2 ARG 2 10.202 -1.212 7.103 15 HG3 ARG 2 HG3 ARG 2 11.680 -2.147 6.944 16 HD2 ARG 2 HD2 ARG 2 11.815 0.896 7.267 17 HD3 ARG 2 HD3 ARG 2 11.558 -0.088 8.672 18 HE ARG 2 HE ARG 2 14.037 0.315 7.345 19 HH11 ARG 2 HH11 ARG 2 12.223 -1.892 9.440 20 HH12 ARG 2 HH12 ARG 2 13.545 -3.000 9.655 21 HH21 ARG 2 HH21 ARG 2 15.878 -1.070 7.823 22 HH22 ARG 2 HH22 ARG 2 15.649 -2.437 8.879 23 H VAL 3 H VAL 3 8.764 -0.061 3.652 24 HA VAL 3 HA VAL 3 10.162 0.771 1.232 25 HB VAL 3 HB VAL 3 7.475 -0.649 1.283 26 HG11 VAL 3 HG11 VAL 3 6.738 1.071 -0.039 27 HG12 VAL 3 HG12 VAL 3 8.338 1.475 -0.663 28 HG13 VAL 3 HG13 VAL 3 7.474 0.061 -1.286 29 HG21 VAL 3 HG21 VAL 3 10.081 -0.953 -0.210 30 HG22 VAL 3 HG22 VAL 3 9.256 -2.125 0.864 31 HG23 VAL 3 HG23 VAL 3 8.583 -1.780 -0.735 32 H GLU 4 H GLU 4 10.233 2.963 1.509 33 HA GLU 4 HA GLU 4 8.240 4.283 3.252 34 HB2 GLU 4 HB2 GLU 4 10.608 4.639 3.592 35 HB3 GLU 4 HB3 GLU 4 10.793 5.322 1.987 36 HG2 GLU 4 HG2 GLU 4 8.715 6.761 3.484 37 HG3 GLU 4 HG3 GLU 4 10.097 6.519 4.516 38 H LEU 5 H LEU 5 6.838 5.804 2.575 39 HA LEU 5 HA LEU 5 6.657 6.153 -0.336 40 HB2 LEU 5 HB2 LEU 5 4.286 6.105 1.520 41 HB3 LEU 5 HB3 LEU 5 4.260 6.217 -0.222 42 HG LEU 5 HG LEU 5 5.025 3.777 1.452 43 HD11 LEU 5 HD11 LEU 5 2.681 4.419 -0.386 44 HD12 LEU 5 HD12 LEU 5 2.630 4.311 1.378 45 HD13 LEU 5 HD13 LEU 5 2.944 2.859 0.424 46 HD21 LEU 5 HD21 LEU 5 5.005 2.544 -0.722 47 HD22 LEU 5 HD22 LEU 5 6.334 3.706 -0.596 48 HD23 LEU 5 HD23 LEU 5 4.896 4.114 -1.559 49 H LEU 6 H LEU 6 7.518 8.216 -0.604 50 HA LEU 6 HA LEU 6 6.575 10.465 1.111 51 HB2 LEU 6 HB2 LEU 6 8.934 9.788 -0.587 52 HB3 LEU 6 HB3 LEU 6 8.238 11.321 -1.064 53 HG LEU 6 HG LEU 6 8.719 10.701 1.870 54 HD11 LEU 6 HD11 LEU 6 10.888 11.798 1.767 55 HD12 LEU 6 HD12 LEU 6 10.733 12.009 0.009 56 HD13 LEU 6 HD13 LEU 6 10.877 10.376 0.721 57 HD21 LEU 6 HD21 LEU 6 7.263 12.672 1.082 58 HD22 LEU 6 HD22 LEU 6 8.707 13.343 0.330 59 HD23 LEU 6 HD23 LEU 6 8.647 13.107 2.089 60 H PHE 7 H PHE 7 5.327 12.085 0.295 61 HA PHE 7 HA PHE 7 4.415 11.941 -2.536 62 HB2 PHE 7 HB2 PHE 7 2.723 12.856 -0.223 63 HB3 PHE 7 HB3 PHE 7 2.202 12.524 -1.839 64 HD1 PHE 7 HD1 PHE 7 3.146 11.039 1.417 65 HD2 PHE 7 HD2 PHE 7 1.485 10.397 -2.436 66 HE1 PHE 7 HE1 PHE 7 2.339 8.851 2.227 67 HE2 PHE 7 HE2 PHE 7 0.602 8.141 -1.675 68 HZ PHE 7 HZ PHE 7 1.050 7.376 0.657 69 H GLU 8 H GLU 8 3.414 14.136 -3.154 70 HA GLU 8 HA GLU 8 5.059 16.369 -2.413 71 HB2 GLU 8 HB2 GLU 8 2.566 16.325 -4.032 72 HB3 GLU 8 HB3 GLU 8 3.683 17.680 -3.849 73 HG2 GLU 8 HG2 GLU 8 4.013 15.128 -5.343 74 HG3 GLU 8 HG3 GLU 8 4.372 16.800 -5.743 75 H SER 9 H SER 9 2.404 15.129 -0.704 76 HA SER 9 HA SER 9 2.094 17.751 0.743 77 HB2 SER 9 HB2 SER 9 -0.073 15.861 -0.201 78 HB3 SER 9 HB3 SER 9 -0.331 17.048 1.085 79 HG SER 9 HG SER 9 0.160 17.524 -1.665 80 H GLY 10 H GLY 10 3.372 14.811 1.179 81 HA2 GLY 10 HA2 GLY 10 3.430 14.807 3.924 82 HA3 GLY 10 HA3 GLY 10 2.047 13.768 3.506 83 H LYS 11 H LYS 11 3.458 12.139 4.655 84 HA LYS 11 HA LYS 11 4.641 10.456 2.671 85 HB2 LYS 11 HB2 LYS 11 6.835 10.154 3.811 86 HB3 LYS 11 HB3 LYS 11 6.637 11.703 2.998 87 HG2 LYS 11 HG2 LYS 11 6.167 12.827 5.068 88 HG3 LYS 11 HG3 LYS 11 6.244 11.300 5.986 89 HD2 LYS 11 HD2 LYS 11 8.654 11.142 5.171 90 HD3 LYS 11 HD3 LYS 11 8.485 12.805 4.595 91 HE2 LYS 11 HE2 LYS 11 8.212 11.775 7.452 92 HE3 LYS 11 HE3 LYS 11 9.498 12.803 6.825 93 HZ1 LYS 11 HZ1 LYS 11 7.836 14.583 6.588 94 HZ2 LYS 11 HZ2 LYS 11 7.858 14.006 8.125 95 HZ3 LYS 11 HZ3 LYS 11 6.646 13.582 7.136 96 H CYS 12 H CYS 12 5.083 8.410 3.573 97 HA CYS 12 HA CYS 12 4.581 7.426 6.323 98 HB2 CYS 12 HB2 CYS 12 2.455 6.403 5.799 99 HB3 CYS 12 HB3 CYS 12 2.234 7.935 4.960 100 HG CYS 12 HG CYS 12 3.240 5.042 3.751 101 H VAL 13 H VAL 13 4.578 5.364 6.203 102 HA VAL 13 HA VAL 13 6.411 4.219 4.014 103 HB VAL 13 HB VAL 13 7.348 5.379 6.410 104 HG11 VAL 13 HG11 VAL 13 7.794 4.352 7.985 105 HG12 VAL 13 HG12 VAL 13 6.025 4.367 7.508 106 HG13 VAL 13 HG13 VAL 13 7.119 2.841 7.257 107 HG21 VAL 13 HG21 VAL 13 9.390 4.610 5.393 108 HG22 VAL 13 HG22 VAL 13 9.225 3.335 6.541 109 HG23 VAL 13 HG23 VAL 13 8.627 3.044 4.901 110 H ILE 14 H ILE 14 6.380 1.846 3.920 111 HA ILE 14 HA ILE 14 4.296 0.668 5.511 112 HB ILE 14 HB ILE 14 3.397 -0.445 3.643 113 HG12 ILE 14 HG12 ILE 14 5.201 1.144 1.749 114 HG13 ILE 14 HG13 ILE 14 5.400 -0.572 2.138 115 HG21 ILE 14 HG21 ILE 14 3.578 2.561 3.008 116 HG22 ILE 14 HG22 ILE 14 2.242 1.465 2.586 117 HG23 ILE 14 HG23 ILE 14 2.547 1.845 4.269 118 HD11 ILE 14 HD11 ILE 14 4.322 -0.421 0.032 119 HD12 ILE 14 HD12 ILE 14 3.124 -1.016 1.194 120 HD13 ILE 14 HD13 ILE 14 3.076 0.664 0.648 121 H ASP 15 H ASP 15 5.040 -0.883 6.609 122 HA ASP 15 HA ASP 15 7.757 -1.897 6.096 123 HB2 ASP 15 HB2 ASP 15 6.826 -1.137 8.311 124 HB3 ASP 15 HB3 ASP 15 6.050 -2.703 8.444 125 H LEU 16 H LEU 16 8.038 -3.629 4.657 126 HA LEU 16 HA LEU 16 5.879 -5.667 4.602 127 HB2 LEU 16 HB2 LEU 16 7.880 -5.379 2.435 128 HB3 LEU 16 HB3 LEU 16 6.253 -6.002 2.370 129 HG LEU 16 HG LEU 16 6.983 -3.046 2.600 130 HD11 LEU 16 HD11 LEU 16 6.402 -2.902 0.246 131 HD12 LEU 16 HD12 LEU 16 6.113 -4.673 0.192 132 HD13 LEU 16 HD13 LEU 16 7.730 -4.033 0.498 133 HD21 LEU 16 HD21 LEU 16 4.563 -2.782 1.857 134 HD22 LEU 16 HD22 LEU 16 4.797 -3.387 3.494 135 HD23 LEU 16 HD23 LEU 16 4.338 -4.517 2.193 136 H ASN 17 H ASN 17 6.387 -7.850 4.759 137 HA ASN 17 HA ASN 17 9.082 -8.478 5.834 138 HB2 ASN 17 HB2 ASN 17 6.998 -9.225 7.039 139 HB3 ASN 17 HB3 ASN 17 6.616 -10.193 5.653 140 HD21 ASN 17 HD21 ASN 17 6.631 -11.989 7.240 141 HD22 ASN 17 HD22 ASN 17 8.128 -12.845 7.431 142 H GLU 18 H GLU 18 10.304 -10.325 4.957 143 HA GLU 18 HA GLU 18 10.485 -9.859 2.061 144 HB2 GLU 18 HB2 GLU 18 12.312 -11.033 4.192 145 HB3 GLU 18 HB3 GLU 18 12.697 -11.180 2.469 146 HG2 GLU 18 HG2 GLU 18 12.579 -8.771 2.166 147 HG3 GLU 18 HG3 GLU 18 12.165 -8.548 3.866 148 H GLU 19 H GLU 19 8.631 -12.144 3.559 149 HA GLU 19 HA GLU 19 9.834 -14.525 2.271 150 HB2 GLU 19 HB2 GLU 19 7.650 -14.573 4.359 151 HB3 GLU 19 HB3 GLU 19 8.734 -15.820 3.844 152 HG2 GLU 19 HG2 GLU 19 10.656 -14.725 4.897 153 HG3 GLU 19 HG3 GLU 19 9.687 -13.318 5.316 154 H TYR 20 H TYR 20 7.900 -12.147 1.413 155 HA TYR 20 HA TYR 20 5.697 -13.716 0.169 156 HB2 TYR 20 HB2 TYR 20 5.882 -10.723 0.556 157 HB3 TYR 20 HB3 TYR 20 4.491 -11.670 0.176 158 HD1 TYR 20 HD1 TYR 20 4.519 -13.824 2.229 159 HD2 TYR 20 HD2 TYR 20 5.415 -9.639 2.630 160 HE1 TYR 20 HE1 TYR 20 3.564 -13.849 4.516 161 HE2 TYR 20 HE2 TYR 20 4.535 -9.662 4.943 162 HH TYR 20 HH TYR 20 3.227 -10.872 6.494 163 H GLU 21 H GLU 21 5.710 -13.866 -1.961 164 HA GLU 21 HA GLU 21 7.827 -13.399 -3.559 165 HB2 GLU 21 HB2 GLU 21 5.670 -14.786 -3.985 166 HB3 GLU 21 HB3 GLU 21 5.014 -13.324 -4.703 167 HG2 GLU 21 HG2 GLU 21 5.904 -14.285 -6.592 168 HG3 GLU 21 HG3 GLU 21 7.299 -13.363 -6.104 169 H VAL 22 H VAL 22 4.922 -11.374 -3.603 170 HA VAL 22 HA VAL 22 5.722 -9.324 -5.234 171 HB VAL 22 HB VAL 22 3.476 -9.769 -4.314 172 HG11 VAL 22 HG11 VAL 22 4.336 -8.445 -1.766 173 HG12 VAL 22 HG12 VAL 22 2.746 -9.137 -2.177 174 HG13 VAL 22 HG13 VAL 22 4.140 -10.199 -1.949 175 HG21 VAL 22 HG21 VAL 22 4.286 -6.897 -3.683 176 HG22 VAL 22 HG22 VAL 22 3.976 -7.497 -5.313 177 HG23 VAL 22 HG23 VAL 22 2.670 -7.486 -4.112 178 H VAL 23 H VAL 23 6.891 -9.704 -1.893 179 HA VAL 23 HA VAL 23 7.898 -6.945 -1.867 180 HB VAL 23 HB VAL 23 8.266 -9.297 0.048 181 HG11 VAL 23 HG11 VAL 23 8.971 -6.344 0.329 182 HG12 VAL 23 HG12 VAL 23 8.941 -7.509 1.668 183 HG13 VAL 23 HG13 VAL 23 10.091 -7.732 0.352 184 HG21 VAL 23 HG21 VAL 23 5.915 -8.587 -0.060 185 HG22 VAL 23 HG22 VAL 23 6.633 -8.027 1.441 186 HG23 VAL 23 HG23 VAL 23 6.393 -6.891 0.093 187 H LYS 24 H LYS 24 9.122 -10.299 -2.410 188 HA LYS 24 HA LYS 24 11.885 -9.599 -2.805 189 HB2 LYS 24 HB2 LYS 24 10.213 -11.827 -4.022 190 HB3 LYS 24 HB3 LYS 24 11.956 -11.764 -3.885 191 HG2 LYS 24 HG2 LYS 24 11.898 -12.005 -1.483 192 HG3 LYS 24 HG3 LYS 24 10.143 -11.810 -1.426 193 HD2 LYS 24 HD2 LYS 24 9.871 -13.832 -2.846 194 HD3 LYS 24 HD3 LYS 24 11.604 -14.076 -2.792 195 HE2 LYS 24 HE2 LYS 24 9.708 -14.081 -0.388 196 HE3 LYS 24 HE3 LYS 24 10.290 -15.515 -1.230 197 HZ1 LYS 24 HZ1 LYS 24 12.601 -14.619 -0.594 198 HZ2 LYS 24 HZ2 LYS 24 11.684 -15.322 0.570 199 HZ3 LYS 24 HZ3 LYS 24 11.785 -13.704 0.507 200 H LEU 25 H LEU 25 9.004 -9.469 -4.865 201 HA LEU 25 HA LEU 25 10.574 -9.056 -7.298 202 HB2 LEU 25 HB2 LEU 25 7.592 -9.011 -6.642 203 HB3 LEU 25 HB3 LEU 25 8.212 -8.611 -8.242 204 HG LEU 25 HG LEU 25 8.726 -11.301 -6.883 205 HD11 LEU 25 HD11 LEU 25 6.707 -10.525 -9.024 206 HD12 LEU 25 HD12 LEU 25 6.352 -10.988 -7.334 207 HD13 LEU 25 HD13 LEU 25 7.047 -12.174 -8.443 208 HD21 LEU 25 HD21 LEU 25 10.434 -10.718 -8.571 209 HD22 LEU 25 HD22 LEU 25 9.156 -10.255 -9.722 210 HD23 LEU 25 HD23 LEU 25 9.356 -11.943 -9.193 211 H LEU 26 H LEU 26 8.651 -7.041 -5.065 212 HA LEU 26 HA LEU 26 8.876 -4.621 -6.521 213 HB2 LEU 26 HB2 LEU 26 8.258 -5.477 -3.744 214 HB3 LEU 26 HB3 LEU 26 9.111 -3.993 -3.823 215 HG LEU 26 HG LEU 26 6.495 -4.561 -5.273 216 HD11 LEU 26 HD11 LEU 26 6.249 -4.490 -2.833 217 HD12 LEU 26 HD12 LEU 26 5.469 -3.088 -3.602 218 HD13 LEU 26 HD13 LEU 26 7.044 -2.902 -2.778 219 HD21 LEU 26 HD21 LEU 26 7.808 -2.773 -6.445 220 HD22 LEU 26 HD22 LEU 26 7.950 -1.897 -4.921 221 HD23 LEU 26 HD23 LEU 26 6.357 -2.132 -5.677 222 H LYS 27 H LYS 27 11.299 -6.380 -4.664 223 HA LYS 27 HA LYS 27 13.100 -4.229 -4.259 224 HB2 LYS 27 HB2 LYS 27 13.163 -6.697 -3.384 225 HB3 LYS 27 HB3 LYS 27 13.961 -7.062 -4.922 226 HG2 LYS 27 HG2 LYS 27 15.662 -5.213 -4.321 227 HG3 LYS 27 HG3 LYS 27 14.873 -5.112 -2.761 228 HD2 LYS 27 HD2 LYS 27 16.710 -6.563 -2.400 229 HD3 LYS 27 HD3 LYS 27 15.351 -7.687 -2.565 230 HE2 LYS 27 HE2 LYS 27 15.878 -8.109 -4.891 231 HE3 LYS 27 HE3 LYS 27 17.026 -6.772 -4.943 232 HZ1 LYS 27 HZ1 LYS 27 18.101 -8.902 -4.821 233 HZ2 LYS 27 HZ2 LYS 27 17.406 -9.225 -3.373 234 HZ3 LYS 27 HZ3 LYS 27 18.478 -7.975 -3.507 235 H GLU 28 H GLU 28 12.262 -5.981 -7.221 236 HA GLU 28 HA GLU 28 14.643 -5.260 -8.709 237 HB2 GLU 28 HB2 GLU 28 11.823 -5.963 -9.588 238 HB3 GLU 28 HB3 GLU 28 13.156 -5.727 -10.697 239 HG2 GLU 28 HG2 GLU 28 13.620 -7.701 -8.464 240 HG3 GLU 28 HG3 GLU 28 12.443 -8.132 -9.694 241 H LYS 29 H LYS 29 11.738 -3.489 -7.724 242 HA LYS 29 HA LYS 29 12.150 -1.496 -9.912 243 HB2 LYS 29 HB2 LYS 29 9.550 -2.368 -8.612 244 HB3 LYS 29 HB3 LYS 29 9.766 -1.306 -10.003 245 HG2 LYS 29 HG2 LYS 29 10.314 -4.293 -9.975 246 HG3 LYS 29 HG3 LYS 29 8.905 -3.479 -10.642 247 HD2 LYS 29 HD2 LYS 29 10.427 -2.218 -12.211 248 HD3 LYS 29 HD3 LYS 29 11.763 -3.254 -11.657 249 HE2 LYS 29 HE2 LYS 29 10.433 -5.271 -12.323 250 HE3 LYS 29 HE3 LYS 29 9.138 -4.210 -12.910 251 HZ1 LYS 29 HZ1 LYS 29 10.694 -3.331 -14.541 252 HZ2 LYS 29 HZ2 LYS 29 10.607 -4.968 -14.671 253 HZ3 LYS 29 HZ3 LYS 29 11.901 -4.304 -13.945 254 H ILE 30 H ILE 30 13.203 -1.290 -7.014 255 HA ILE 30 HA ILE 30 11.665 1.169 -6.284 256 HB ILE 30 HB ILE 30 12.890 -0.969 -4.550 257 HG12 ILE 30 HG12 ILE 30 10.118 0.325 -4.470 258 HG13 ILE 30 HG13 ILE 30 10.459 -1.116 -5.403 259 HG21 ILE 30 HG21 ILE 30 11.818 1.695 -3.511 260 HG22 ILE 30 HG22 ILE 30 12.461 0.369 -2.560 261 HG23 ILE 30 HG23 ILE 30 13.554 1.258 -3.586 262 HD11 ILE 30 HD11 ILE 30 9.467 -1.739 -3.272 263 HD12 ILE 30 HD12 ILE 30 11.143 -2.320 -3.339 264 HD13 ILE 30 HD13 ILE 30 10.713 -0.884 -2.381 265 HA PRO 31 HA PRO 31 11.983 3.070 -5.078 266 HB2 PRO 31 HB2 PRO 31 12.793 5.594 -6.002 267 HB3 PRO 31 HB3 PRO 31 12.923 5.004 -4.335 268 HG2 PRO 31 HG2 PRO 31 15.047 5.490 -6.218 269 HG3 PRO 31 HG3 PRO 31 15.144 5.043 -4.494 270 HD2 PRO 31 HD2 PRO 31 15.525 3.341 -6.848 271 HD3 PRO 31 HD3 PRO 31 15.770 2.922 -5.134 272 H PHE 32 H PHE 32 10.292 4.279 -6.267 273 HA PHE 32 HA PHE 32 10.548 4.621 -9.065 274 HB2 PHE 32 HB2 PHE 32 8.741 3.342 -9.877 275 HB3 PHE 32 HB3 PHE 32 9.860 2.268 -9.097 276 HD1 PHE 32 HD1 PHE 32 9.256 1.429 -6.714 277 HD2 PHE 32 HD2 PHE 32 6.451 3.385 -9.285 278 HE1 PHE 32 HE1 PHE 32 7.395 0.302 -5.531 279 HE2 PHE 32 HE2 PHE 32 4.572 2.430 -8.006 280 HZ PHE 32 HZ PHE 32 5.050 0.804 -6.147 281 H GLU 33 H GLU 33 8.334 5.744 -9.909 282 HA GLU 33 HA GLU 33 6.933 7.043 -7.657 283 HB2 GLU 33 HB2 GLU 33 7.841 8.100 -10.336 284 HB3 GLU 33 HB3 GLU 33 6.584 8.902 -9.388 285 HG2 GLU 33 HG2 GLU 33 8.102 9.320 -7.598 286 HG3 GLU 33 HG3 GLU 33 9.378 8.349 -8.325 287 H SER 34 H SER 34 4.695 7.639 -8.238 288 HA SER 34 HA SER 34 3.599 6.784 -10.715 289 HB2 SER 34 HB2 SER 34 3.807 4.650 -8.999 290 HB3 SER 34 HB3 SER 34 2.285 5.358 -8.481 291 HG SER 34 HG SER 34 3.077 4.557 -11.098 292 H VAL 35 H VAL 35 1.019 6.846 -10.360 293 HA VAL 35 HA VAL 35 0.503 9.521 -9.296 294 HB VAL 35 HB VAL 35 -1.583 7.586 -10.438 295 HG11 VAL 35 HG11 VAL 35 -2.543 9.619 -9.575 296 HG12 VAL 35 HG12 VAL 35 -1.312 10.621 -10.375 297 HG13 VAL 35 HG13 VAL 35 -2.519 9.775 -11.336 298 HG21 VAL 35 HG21 VAL 35 0.321 9.249 -12.083 299 HG22 VAL 35 HG22 VAL 35 0.171 7.477 -12.073 300 HG23 VAL 35 HG23 VAL 35 -1.148 8.460 -12.706 301 H VAL 36 H VAL 36 -0.796 9.932 -7.541 302 HA VAL 36 HA VAL 36 -1.330 7.749 -5.631 303 HB VAL 36 HB VAL 36 -1.722 10.763 -5.349 304 HG11 VAL 36 HG11 VAL 36 -1.202 8.662 -3.257 305 HG12 VAL 36 HG12 VAL 36 -1.526 10.369 -2.994 306 HG13 VAL 36 HG13 VAL 36 -2.817 9.346 -3.618 307 HG21 VAL 36 HG21 VAL 36 0.606 9.472 -4.153 308 HG22 VAL 36 HG22 VAL 36 0.800 9.871 -5.856 309 HG23 VAL 36 HG23 VAL 36 0.435 11.115 -4.652 310 H ASN 37 H ASN 37 -3.154 6.794 -6.888 311 HA ASN 37 HA ASN 37 -5.492 8.561 -7.479 312 HB2 ASN 37 HB2 ASN 37 -5.134 5.550 -7.598 313 HB3 ASN 37 HB3 ASN 37 -6.665 6.385 -7.919 314 HD21 ASN 37 HD21 ASN 37 -3.483 5.651 -9.209 315 HD22 ASN 37 HD22 ASN 37 -3.731 6.352 -10.781 316 H THR 38 H THR 38 -7.530 8.321 -6.334 317 HA THR 38 HA THR 38 -7.342 7.154 -3.604 318 HB THR 38 HB THR 38 -8.483 9.257 -2.809 319 HG1 THR 38 HG1 THR 38 -8.048 9.996 -5.479 320 HG21 THR 38 HG21 THR 38 -6.099 9.045 -2.374 321 HG22 THR 38 HG22 THR 38 -6.516 10.726 -2.705 322 HG23 THR 38 HG23 THR 38 -5.696 9.759 -3.945 323 H TRP 39 H TRP 39 -9.217 6.073 -2.952 324 HA TRP 39 HA TRP 39 -11.714 6.440 -4.477 325 HB2 TRP 39 HB2 TRP 39 -10.577 4.660 -5.583 326 HB3 TRP 39 HB3 TRP 39 -10.117 3.912 -4.075 327 HD1 TRP 39 HD1 TRP 39 -13.231 4.371 -6.252 328 HE1 TRP 39 HE1 TRP 39 -14.643 2.195 -5.996 329 HE3 TRP 39 HE3 TRP 39 -10.694 2.122 -2.470 330 HZ2 TRP 39 HZ2 TRP 39 -14.925 0.047 -4.091 331 HZ3 TRP 39 HZ3 TRP 39 -11.545 -0.027 -1.476 332 HH2 TRP 39 HH2 TRP 39 -13.608 -1.038 -2.312 333 H GLY 40 H GLY 40 -12.232 7.689 -2.578 334 HA2 GLY 40 HA2 GLY 40 -13.523 7.893 -0.693 335 HA3 GLY 40 HA3 GLY 40 -13.917 6.207 -0.937 336 H GLU 41 H GLU 41 -11.565 8.491 0.624 337 HA GLU 41 HA GLU 41 -10.088 8.256 2.235 338 HB2 GLU 41 HB2 GLU 41 -12.286 6.464 3.359 339 HB3 GLU 41 HB3 GLU 41 -10.772 6.755 4.200 340 HG2 GLU 41 HG2 GLU 41 -11.614 8.533 5.078 341 HG3 GLU 41 HG3 GLU 41 -11.517 9.345 3.540 342 H GLU 42 H GLU 42 -8.945 7.215 0.166 343 HA GLU 42 HA GLU 42 -7.395 5.033 1.220 344 HB2 GLU 42 HB2 GLU 42 -9.286 3.710 0.424 345 HB3 GLU 42 HB3 GLU 42 -9.445 4.661 -1.019 346 HG2 GLU 42 HG2 GLU 42 -6.853 3.158 -0.746 347 HG3 GLU 42 HG3 GLU 42 -8.340 2.207 -0.901 348 H ILE 43 H ILE 43 -5.522 4.696 -0.069 349 HA ILE 43 HA ILE 43 -5.176 6.465 -2.399 350 HB ILE 43 HB ILE 43 -3.324 6.180 -0.006 351 HG12 ILE 43 HG12 ILE 43 -4.039 8.779 -1.401 352 HG13 ILE 43 HG13 ILE 43 -5.159 8.076 -0.245 353 HG21 ILE 43 HG21 ILE 43 -1.668 7.553 -1.366 354 HG22 ILE 43 HG22 ILE 43 -1.835 5.868 -1.857 355 HG23 ILE 43 HG23 ILE 43 -2.643 7.142 -2.800 356 HD11 ILE 43 HD11 ILE 43 -3.374 7.949 1.432 357 HD12 ILE 43 HD12 ILE 43 -2.333 8.929 0.354 358 HD13 ILE 43 HD13 ILE 43 -3.866 9.592 0.974 359 H TYR 44 H TYR 44 -4.081 5.425 -4.042 360 HA TYR 44 HA TYR 44 -2.462 3.043 -3.503 361 HB2 TYR 44 HB2 TYR 44 -3.478 1.714 -5.241 362 HB3 TYR 44 HB3 TYR 44 -4.632 2.031 -3.960 363 HD1 TYR 44 HD1 TYR 44 -6.184 4.111 -4.389 364 HD2 TYR 44 HD2 TYR 44 -4.236 1.901 -7.502 365 HE1 TYR 44 HE1 TYR 44 -7.996 4.730 -5.888 366 HE2 TYR 44 HE2 TYR 44 -5.990 2.596 -9.099 367 HH TYR 44 HH TYR 44 -8.819 4.589 -8.065 368 H PHE 45 H PHE 45 -1.396 2.350 -5.603 369 HA PHE 45 HA PHE 45 -1.041 4.449 -7.588 370 HB2 PHE 45 HB2 PHE 45 1.517 4.054 -7.196 371 HB3 PHE 45 HB3 PHE 45 0.635 5.269 -6.320 372 HD1 PHE 45 HD1 PHE 45 0.064 4.787 -3.838 373 HD2 PHE 45 HD2 PHE 45 2.631 2.232 -6.175 374 HE1 PHE 45 HE1 PHE 45 0.929 3.737 -1.750 375 HE2 PHE 45 HE2 PHE 45 3.592 1.293 -4.067 376 HZ PHE 45 HZ PHE 45 2.747 2.059 -1.872 377 H SER 46 H SER 46 -0.284 3.675 -9.484 378 HA SER 46 HA SER 46 -0.770 0.913 -10.075 379 HB2 SER 46 HB2 SER 46 0.030 1.850 -12.383 380 HB3 SER 46 HB3 SER 46 -1.511 2.369 -11.699 381 HG SER 46 HG SER 46 0.907 3.839 -11.290 382 H THR 47 H THR 47 0.825 -0.217 -8.848 383 HA THR 47 HA THR 47 3.557 0.396 -8.916 384 HB THR 47 HB THR 47 3.790 -1.923 -8.023 385 HG1 THR 47 HG1 THR 47 1.910 -3.196 -7.892 386 HG21 THR 47 HG21 THR 47 3.150 0.004 -6.532 387 HG22 THR 47 HG22 THR 47 2.672 -1.596 -5.965 388 HG23 THR 47 HG23 THR 47 1.466 -0.499 -6.675 389 HA PRO 48 HA PRO 48 4.933 -1.395 -12.699 390 HB2 PRO 48 HB2 PRO 48 7.591 -1.598 -12.217 391 HB3 PRO 48 HB3 PRO 48 6.780 -0.004 -12.236 392 HG2 PRO 48 HG2 PRO 48 7.367 -1.773 -9.821 393 HG3 PRO 48 HG3 PRO 48 7.821 -0.058 -10.049 394 HD2 PRO 48 HD2 PRO 48 5.594 -0.733 -8.722 395 HD3 PRO 48 HD3 PRO 48 5.606 0.664 -9.844 396 H VAL 49 H VAL 49 4.566 -3.151 -9.936 397 HA VAL 49 HA VAL 49 5.784 -5.665 -10.979 398 HB VAL 49 HB VAL 49 4.740 -5.124 -8.171 399 HG11 VAL 49 HG11 VAL 49 4.918 -7.531 -8.893 400 HG12 VAL 49 HG12 VAL 49 6.625 -7.270 -9.246 401 HG13 VAL 49 HG13 VAL 49 6.023 -7.121 -7.574 402 HG21 VAL 49 HG21 VAL 49 7.611 -4.974 -9.183 403 HG22 VAL 49 HG22 VAL 49 6.650 -3.629 -8.508 404 HG23 VAL 49 HG23 VAL 49 7.090 -4.994 -7.486 405 H ASN 50 H ASN 50 4.480 -7.302 -11.593 406 HA ASN 50 HA ASN 50 1.573 -6.794 -11.504 407 HB2 ASN 50 HB2 ASN 50 3.207 -8.239 -13.597 408 HB3 ASN 50 HB3 ASN 50 1.480 -7.915 -13.675 409 HD21 ASN 50 HD21 ASN 50 0.930 -6.122 -14.967 410 HD22 ASN 50 HD22 ASN 50 2.051 -4.843 -15.349 411 H VAL 51 H VAL 51 3.184 -8.412 -9.553 412 HA VAL 51 HA VAL 51 2.436 -11.147 -10.017 413 HB VAL 51 HB VAL 51 4.407 -10.569 -8.723 414 HG11 VAL 51 HG11 VAL 51 2.670 -9.558 -6.468 415 HG12 VAL 51 HG12 VAL 51 4.440 -9.530 -6.691 416 HG13 VAL 51 HG13 VAL 51 3.399 -8.464 -7.639 417 HG21 VAL 51 HG21 VAL 51 3.165 -12.711 -8.158 418 HG22 VAL 51 HG22 VAL 51 4.294 -12.106 -6.944 419 HG23 VAL 51 HG23 VAL 51 2.558 -11.870 -6.718 420 H GLN 52 H GLN 52 1.058 -12.424 -8.986 421 HA GLN 52 HA GLN 52 -1.386 -11.280 -7.752 422 HB2 GLN 52 HB2 GLN 52 -1.074 -13.210 -10.084 423 HB3 GLN 52 HB3 GLN 52 -2.596 -12.792 -9.284 424 HG2 GLN 52 HG2 GLN 52 -2.604 -10.583 -10.128 425 HG3 GLN 52 HG3 GLN 52 -0.893 -10.573 -10.482 426 HE21 GLN 52 HE21 GLN 52 -3.971 -11.971 -11.570 427 HE22 GLN 52 HE22 GLN 52 -3.417 -12.197 -13.236 428 H LYS 53 H LYS 53 0.761 -12.355 -6.418 429 HA LYS 53 HA LYS 53 -0.235 -14.954 -5.322 430 HB2 LYS 53 HB2 LYS 53 1.824 -15.269 -6.490 431 HB3 LYS 53 HB3 LYS 53 2.640 -14.041 -5.507 432 HG2 LYS 53 HG2 LYS 53 2.474 -15.372 -3.520 433 HG3 LYS 53 HG3 LYS 53 1.308 -16.482 -4.264 434 HD2 LYS 53 HD2 LYS 53 3.014 -17.331 -5.804 435 HD3 LYS 53 HD3 LYS 53 4.176 -16.131 -5.245 436 HE2 LYS 53 HE2 LYS 53 4.738 -18.252 -4.253 437 HE3 LYS 53 HE3 LYS 53 4.185 -17.157 -2.983 438 HZ1 LYS 53 HZ1 LYS 53 3.338 -19.314 -2.725 439 HZ2 LYS 53 HZ2 LYS 53 2.590 -19.327 -4.191 440 HZ3 LYS 53 HZ3 LYS 53 2.088 -18.293 -2.982 441 H MET 54 H MET 54 -1.395 -14.404 -3.530 442 HA MET 54 HA MET 54 -0.321 -12.500 -1.556 443 HB2 MET 54 HB2 MET 54 -2.438 -12.818 -0.409 444 HB3 MET 54 HB3 MET 54 -2.649 -12.258 -2.067 445 HG2 MET 54 HG2 MET 54 -2.927 -14.940 -2.415 446 HG3 MET 54 HG3 MET 54 -3.405 -14.795 -0.737 447 HE1 MET 54 HE1 MET 54 -4.916 -16.000 -3.012 448 HE2 MET 54 HE2 MET 54 -6.411 -15.155 -3.480 449 HE3 MET 54 HE3 MET 54 -4.920 -14.804 -4.337 450 H GLU 55 H GLU 55 0.902 -13.315 0.186 451 HA GLU 55 HA GLU 55 0.607 -16.182 0.858 452 HB2 GLU 55 HB2 GLU 55 2.695 -14.272 1.122 453 HB3 GLU 55 HB3 GLU 55 2.204 -14.699 2.759 454 HG2 GLU 55 HG2 GLU 55 2.954 -16.664 0.564 455 HG3 GLU 55 HG3 GLU 55 3.985 -16.140 1.898 456 H ASN 56 H ASN 56 0.021 -12.982 2.368 457 HA ASN 56 HA ASN 56 -1.431 -14.322 4.598 458 HB2 ASN 56 HB2 ASN 56 0.739 -12.933 4.886 459 HB3 ASN 56 HB3 ASN 56 -0.246 -11.513 4.576 460 HD21 ASN 56 HD21 ASN 56 -0.608 -10.541 6.612 461 HD22 ASN 56 HD22 ASN 56 -0.835 -11.447 8.076 462 HA PRO 57 HA PRO 57 -4.361 -11.805 1.958 463 HB2 PRO 57 HB2 PRO 57 -6.340 -13.598 1.355 464 HB3 PRO 57 HB3 PRO 57 -4.834 -13.377 0.435 465 HG2 PRO 57 HG2 PRO 57 -5.405 -15.447 2.580 466 HG3 PRO 57 HG3 PRO 57 -4.666 -15.697 0.953 467 HD2 PRO 57 HD2 PRO 57 -3.147 -15.446 3.179 468 HD3 PRO 57 HD3 PRO 57 -2.665 -14.753 1.579 469 H ARG 58 H ARG 58 -6.253 -10.730 2.618 470 HA ARG 58 HA ARG 58 -7.971 -11.970 4.620 471 HB2 ARG 58 HB2 ARG 58 -6.596 -9.283 5.115 472 HB3 ARG 58 HB3 ARG 58 -8.012 -9.826 5.995 473 HG2 ARG 58 HG2 ARG 58 -5.316 -11.240 6.073 474 HG3 ARG 58 HG3 ARG 58 -5.977 -10.131 7.277 475 HD2 ARG 58 HD2 ARG 58 -7.945 -11.674 7.550 476 HD3 ARG 58 HD3 ARG 58 -7.118 -12.839 6.503 477 HE ARG 58 HE ARG 58 -5.440 -11.959 8.678 478 HH11 ARG 58 HH11 ARG 58 -7.910 -14.373 7.719 479 HH12 ARG 58 HH12 ARG 58 -7.990 -15.106 9.275 480 HH21 ARG 58 HH21 ARG 58 -5.388 -13.224 10.669 481 HH22 ARG 58 HH22 ARG 58 -6.505 -14.556 10.917 482 H GLU 59 H GLU 59 -9.962 -10.772 4.866 483 HA GLU 59 HA GLU 59 -10.728 -9.136 2.519 484 HB2 GLU 59 HB2 GLU 59 -12.112 -11.311 4.123 485 HB3 GLU 59 HB3 GLU 59 -13.059 -10.143 3.177 486 HG2 GLU 59 HG2 GLU 59 -11.949 -10.685 1.163 487 HG3 GLU 59 HG3 GLU 59 -10.775 -11.729 1.956 488 H VAL 60 H VAL 60 -9.762 -8.551 5.625 489 HA VAL 60 HA VAL 60 -10.896 -5.980 5.699 490 HB VAL 60 HB VAL 60 -12.643 -7.117 6.633 491 HG11 VAL 60 HG11 VAL 60 -10.887 -8.781 8.384 492 HG12 VAL 60 HG12 VAL 60 -12.684 -8.697 8.424 493 HG13 VAL 60 HG13 VAL 60 -11.876 -9.318 6.996 494 HG21 VAL 60 HG21 VAL 60 -12.672 -6.521 9.113 495 HG22 VAL 60 HG22 VAL 60 -10.956 -6.183 9.013 496 HG23 VAL 60 HG23 VAL 60 -12.106 -5.199 8.094 497 H VAL 61 H VAL 61 -9.719 -4.622 7.126 498 HA VAL 61 HA VAL 61 -7.346 -5.768 8.452 499 HB VAL 61 HB VAL 61 -5.917 -4.082 7.495 500 HG11 VAL 61 HG11 VAL 61 -6.115 -6.385 6.519 501 HG12 VAL 61 HG12 VAL 61 -7.018 -5.624 5.176 502 HG13 VAL 61 HG13 VAL 61 -5.356 -5.099 5.550 503 HG21 VAL 61 HG21 VAL 61 -6.437 -2.765 5.572 504 HG22 VAL 61 HG22 VAL 61 -8.070 -3.464 5.456 505 HG23 VAL 61 HG23 VAL 61 -7.646 -2.388 6.801 506 H GLU 62 H GLU 62 -6.097 -3.625 9.359 507 HA GLU 62 HA GLU 62 -8.053 -2.175 11.034 508 HB2 GLU 62 HB2 GLU 62 -5.033 -2.050 11.330 509 HB3 GLU 62 HB3 GLU 62 -6.287 -1.707 12.521 510 HG2 GLU 62 HG2 GLU 62 -6.859 -4.250 12.346 511 HG3 GLU 62 HG3 GLU 62 -5.343 -4.339 11.472 512 H ILE 63 H ILE 63 -7.093 0.021 11.576 513 HA ILE 63 HA ILE 63 -7.140 1.608 9.099 514 HB ILE 63 HB ILE 63 -7.151 2.600 11.986 515 HG12 ILE 63 HG12 ILE 63 -9.548 2.307 10.134 516 HG13 ILE 63 HG13 ILE 63 -9.133 1.088 11.349 517 HG21 ILE 63 HG21 ILE 63 -6.750 4.563 10.803 518 HG22 ILE 63 HG22 ILE 63 -7.339 3.849 9.304 519 HG23 ILE 63 HG23 ILE 63 -8.485 4.508 10.453 520 HD11 ILE 63 HD11 ILE 63 -10.814 2.508 12.272 521 HD12 ILE 63 HD12 ILE 63 -9.280 2.786 13.130 522 HD13 ILE 63 HD13 ILE 63 -9.882 3.969 11.937 523 H GLY 64 H GLY 64 -4.810 0.156 9.381 524 HA2 GLY 64 HA2 GLY 64 -2.823 2.103 8.886 525 HA3 GLY 64 HA3 GLY 64 -2.524 1.486 10.521 526 H ASP 65 H ASP 65 -3.823 -0.153 7.642 527 HA ASP 65 HA ASP 65 -1.498 -2.008 7.647 528 HB2 ASP 65 HB2 ASP 65 -4.445 -2.568 7.376 529 HB3 ASP 65 HB3 ASP 65 -3.229 -3.756 6.964 530 H VAL 66 H VAL 66 -2.087 -3.464 5.461 531 HA VAL 66 HA VAL 66 -2.156 -1.573 3.180 532 HB VAL 66 HB VAL 66 0.032 -3.471 4.113 533 HG11 VAL 66 HG11 VAL 66 -0.194 -2.166 1.433 534 HG12 VAL 66 HG12 VAL 66 1.372 -2.648 2.120 535 HG13 VAL 66 HG13 VAL 66 0.112 -3.861 1.859 536 HG21 VAL 66 HG21 VAL 66 -0.040 -0.473 3.678 537 HG22 VAL 66 HG22 VAL 66 0.111 -1.309 5.227 538 HG23 VAL 66 HG23 VAL 66 1.442 -1.381 4.069 539 H GLY 67 H GLY 67 -2.249 -2.859 1.094 540 HA2 GLY 67 HA2 GLY 67 -2.689 -5.691 1.221 541 HA3 GLY 67 HA3 GLY 67 -4.177 -4.838 1.013 542 H TYR 68 H TYR 68 -2.025 -6.544 -0.759 543 HA TYR 68 HA TYR 68 -1.356 -4.642 -2.837 544 HB2 TYR 68 HB2 TYR 68 -0.334 -6.323 -3.943 545 HB3 TYR 68 HB3 TYR 68 -0.097 -6.859 -2.313 546 HD1 TYR 68 HD1 TYR 68 -2.995 -8.351 -2.170 547 HD2 TYR 68 HD2 TYR 68 0.240 -8.248 -5.025 548 HE1 TYR 68 HE1 TYR 68 -3.738 -10.503 -3.073 549 HE2 TYR 68 HE2 TYR 68 -0.431 -10.447 -5.856 550 HH TYR 68 HH TYR 68 -3.469 -12.052 -4.942 551 H TRP 69 H TRP 69 -2.483 -4.383 -4.895 552 HA TRP 69 HA TRP 69 -5.116 -5.700 -4.895 553 HB2 TRP 69 HB2 TRP 69 -5.078 -3.169 -4.501 554 HB3 TRP 69 HB3 TRP 69 -4.782 -3.033 -6.208 555 HD1 TRP 69 HD1 TRP 69 -7.078 -5.351 -4.135 556 HE1 TRP 69 HE1 TRP 69 -9.488 -5.120 -4.809 557 HE3 TRP 69 HE3 TRP 69 -6.675 -1.684 -7.742 558 HZ2 TRP 69 HZ2 TRP 69 -11.013 -3.920 -6.839 559 HZ3 TRP 69 HZ3 TRP 69 -8.604 -1.188 -9.170 560 HH2 TRP 69 HH2 TRP 69 -10.826 -2.223 -8.691 561 HA PRO 70 HA PRO 70 -2.778 -7.452 -8.380 562 HB2 PRO 70 HB2 PRO 70 -4.045 -9.872 -8.464 563 HB3 PRO 70 HB3 PRO 70 -2.791 -9.423 -7.282 564 HG2 PRO 70 HG2 PRO 70 -5.725 -9.582 -6.841 565 HG3 PRO 70 HG3 PRO 70 -4.398 -10.054 -5.769 566 HD2 PRO 70 HD2 PRO 70 -5.720 -7.617 -5.593 567 HD3 PRO 70 HD3 PRO 70 -4.154 -7.931 -4.949 568 HA PRO 71 HA PRO 71 -6.725 -7.985 -10.910 569 HB2 PRO 71 HB2 PRO 71 -9.043 -6.675 -10.274 570 HB3 PRO 71 HB3 PRO 71 -8.576 -8.279 -9.673 571 HG2 PRO 71 HG2 PRO 71 -8.425 -5.639 -8.251 572 HG3 PRO 71 HG3 PRO 71 -8.706 -7.274 -7.515 573 HD2 PRO 71 HD2 PRO 71 -6.394 -6.027 -7.399 574 HD3 PRO 71 HD3 PRO 71 -6.630 -7.816 -7.372 575 H GLY 72 H GLY 72 -5.881 -4.750 -9.699 576 HA2 GLY 72 HA2 GLY 72 -6.104 -3.652 -12.440 577 HA3 GLY 72 HA3 GLY 72 -6.100 -2.761 -10.937 578 H LYS 73 H LYS 73 -3.827 -4.778 -10.144 579 HA LYS 73 HA LYS 73 -1.627 -4.681 -9.749 580 HB2 LYS 73 HB2 LYS 73 -1.414 -3.567 -12.564 581 HB3 LYS 73 HB3 LYS 73 -0.056 -3.586 -11.453 582 HG2 LYS 73 HG2 LYS 73 0.068 -5.538 -12.799 583 HG3 LYS 73 HG3 LYS 73 -0.231 -5.951 -11.106 584 HD2 LYS 73 HD2 LYS 73 -1.405 -7.418 -12.645 585 HD3 LYS 73 HD3 LYS 73 -2.489 -6.565 -11.553 586 HE2 LYS 73 HE2 LYS 73 -3.092 -4.969 -13.359 587 HE3 LYS 73 HE3 LYS 73 -1.954 -5.773 -14.450 588 HZ1 LYS 73 HZ1 LYS 73 -3.263 -7.771 -14.297 589 HZ2 LYS 73 HZ2 LYS 73 -4.251 -6.531 -14.766 590 HZ3 LYS 73 HZ3 LYS 73 -4.310 -7.076 -13.238 591 H ALA 74 H ALA 74 -2.173 -3.437 -7.969 592 HA ALA 74 HA ALA 74 -0.778 -0.922 -7.980 593 HB1 ALA 74 HB1 ALA 74 -3.727 -0.908 -7.145 594 HB2 ALA 74 HB2 ALA 74 -2.604 0.445 -7.065 595 HB3 ALA 74 HB3 ALA 74 -3.087 -0.172 -8.649 596 H LEU 75 H LEU 75 -0.932 0.042 -5.682 597 HA LEU 75 HA LEU 75 -0.876 -2.025 -3.571 598 HB2 LEU 75 HB2 LEU 75 0.554 0.453 -4.031 599 HB3 LEU 75 HB3 LEU 75 -0.441 0.730 -2.637 600 HG LEU 75 HG LEU 75 1.578 -0.025 -1.775 601 HD11 LEU 75 HD11 LEU 75 -0.317 -1.229 -0.753 602 HD12 LEU 75 HD12 LEU 75 1.238 -2.039 -0.624 603 HD13 LEU 75 HD13 LEU 75 0.035 -2.637 -1.782 604 HD21 LEU 75 HD21 LEU 75 1.588 -1.942 -4.067 605 HD22 LEU 75 HD22 LEU 75 2.598 -2.273 -2.636 606 HD23 LEU 75 HD23 LEU 75 2.812 -0.785 -3.568 607 H CYS 76 H CYS 76 -1.853 -0.795 -1.340 608 HA CYS 76 HA CYS 76 -3.921 1.108 -1.808 609 HB2 CYS 76 HB2 CYS 76 -5.039 -1.157 -2.196 610 HB3 CYS 76 HB3 CYS 76 -4.692 -1.543 -0.498 611 HG CYS 76 HG CYS 76 -6.620 0.822 -1.853 612 H LEU 77 H LEU 77 -4.283 2.263 0.094 613 HA LEU 77 HA LEU 77 -2.887 1.508 2.581 614 HB2 LEU 77 HB2 LEU 77 -3.160 4.109 0.994 615 HB3 LEU 77 HB3 LEU 77 -3.015 4.163 2.744 616 HG LEU 77 HG LEU 77 -1.002 2.582 2.407 617 HD11 LEU 77 HD11 LEU 77 0.391 2.899 0.573 618 HD12 LEU 77 HD12 LEU 77 -0.850 3.893 -0.278 619 HD13 LEU 77 HD13 LEU 77 -1.129 2.163 0.031 620 HD21 LEU 77 HD21 LEU 77 -0.679 4.749 3.309 621 HD22 LEU 77 HD22 LEU 77 -1.001 5.544 1.740 622 HD23 LEU 77 HD23 LEU 77 0.494 4.632 2.018 623 H PHE 78 H PHE 78 -4.143 1.450 4.361 624 HA PHE 78 HA PHE 78 -6.942 2.465 4.192 625 HB2 PHE 78 HB2 PHE 78 -5.982 0.182 5.962 626 HB3 PHE 78 HB3 PHE 78 -7.620 0.689 5.625 627 HD1 PHE 78 HD1 PHE 78 -4.677 -1.130 4.258 628 HD2 PHE 78 HD2 PHE 78 -8.753 0.057 3.560 629 HE1 PHE 78 HE1 PHE 78 -4.808 -2.649 2.287 630 HE2 PHE 78 HE2 PHE 78 -8.861 -1.557 1.648 631 HZ PHE 78 HZ PHE 78 -6.898 -2.991 1.128 632 H PHE 79 H PHE 79 -7.176 4.246 5.307 633 HA PHE 79 HA PHE 79 -5.853 4.673 7.893 634 HB2 PHE 79 HB2 PHE 79 -5.423 6.961 7.279 635 HB3 PHE 79 HB3 PHE 79 -4.457 5.777 6.454 636 HD1 PHE 79 HD1 PHE 79 -7.081 8.316 6.234 637 HD2 PHE 79 HD2 PHE 79 -4.870 5.453 3.915 638 HE1 PHE 79 HE1 PHE 79 -7.591 9.614 4.143 639 HE2 PHE 79 HE2 PHE 79 -5.360 6.743 1.844 640 HZ PHE 79 HZ PHE 79 -6.674 8.885 1.984 641 H GLY 80 H GLY 80 -8.841 4.336 6.450 642 HA2 GLY 80 HA2 GLY 80 -10.284 5.269 8.669 643 HA3 GLY 80 HA3 GLY 80 -10.336 6.508 7.408 644 H LYS 81 H LYS 81 -12.689 5.982 7.400 645 HA LYS 81 HA LYS 81 -13.389 3.203 6.869 646 HB2 LYS 81 HB2 LYS 81 -14.297 5.040 8.633 647 HB3 LYS 81 HB3 LYS 81 -15.458 5.330 7.359 648 HG2 LYS 81 HG2 LYS 81 -14.836 2.545 8.495 649 HG3 LYS 81 HG3 LYS 81 -15.995 3.654 9.200 650 HD2 LYS 81 HD2 LYS 81 -16.915 3.630 6.627 651 HD3 LYS 81 HD3 LYS 81 -16.175 2.041 6.703 652 HE2 LYS 81 HE2 LYS 81 -18.478 1.793 7.331 653 HE3 LYS 81 HE3 LYS 81 -17.544 1.550 8.794 654 HZ1 LYS 81 HZ1 LYS 81 -18.281 3.609 9.631 655 HZ2 LYS 81 HZ2 LYS 81 -19.594 3.032 8.815 656 HZ3 LYS 81 HZ3 LYS 81 -18.647 4.196 8.141 657 H THR 82 H THR 82 -13.306 2.659 4.818 658 HA THR 82 HA THR 82 -13.663 4.474 2.597 659 HB THR 82 HB THR 82 -13.211 2.161 1.407 660 HG1 THR 82 HG1 THR 82 -12.176 0.735 2.981 661 HG21 THR 82 HG21 THR 82 -11.308 3.505 3.342 662 HG22 THR 82 HG22 THR 82 -11.299 3.486 1.560 663 HG23 THR 82 HG23 THR 82 -10.794 2.069 2.460 664 HA PRO 83 HA PRO 83 -17.894 3.709 1.588 665 HB2 PRO 83 HB2 PRO 83 -17.880 3.154 -1.136 666 HB3 PRO 83 HB3 PRO 83 -17.642 4.790 -0.445 667 HG2 PRO 83 HG2 PRO 83 -15.562 2.793 -1.368 668 HG3 PRO 83 HG3 PRO 83 -15.660 4.548 -1.729 669 HD2 PRO 83 HD2 PRO 83 -14.047 3.651 0.214 670 HD3 PRO 83 HD3 PRO 83 -15.023 5.127 0.486 671 H MET 84 H MET 84 -15.619 1.135 1.010 672 HA MET 84 HA MET 84 -17.665 -0.723 -0.004 673 HB2 MET 84 HB2 MET 84 -15.423 -0.223 -1.082 674 HB3 MET 84 HB3 MET 84 -14.662 -1.087 0.254 675 HG2 MET 84 HG2 MET 84 -14.819 -2.605 -1.513 676 HG3 MET 84 HG3 MET 84 -16.097 -3.114 -0.425 677 HE1 MET 84 HE1 MET 84 -19.087 -3.234 -2.631 678 HE2 MET 84 HE2 MET 84 -18.071 -4.038 -1.414 679 HE3 MET 84 HE3 MET 84 -18.815 -2.458 -1.056 680 H SER 85 H SER 85 -18.346 -0.258 2.554 681 HA SER 85 HA SER 85 -17.939 -2.819 3.802 682 HB2 SER 85 HB2 SER 85 -17.220 -1.589 6.034 683 HB3 SER 85 HB3 SER 85 -16.037 -2.069 4.829 684 HG SER 85 HG SER 85 -15.494 -0.151 4.711 685 H ASP 86 H ASP 86 -19.186 -2.822 6.028 686 HA ASP 86 HA ASP 86 -20.529 -0.327 6.472 687 HB2 ASP 86 HB2 ASP 86 -21.918 -2.902 6.014 688 HB3 ASP 86 HB3 ASP 86 -22.201 -2.233 7.609 689 H ASP 87 H ASP 87 -19.953 -3.605 7.897 690 HA ASP 87 HA ASP 87 -19.910 -2.515 10.512 691 HB2 ASP 87 HB2 ASP 87 -18.800 -5.229 9.671 692 HB3 ASP 87 HB3 ASP 87 -19.266 -4.740 11.288 693 H LYS 88 H LYS 88 -17.318 -3.714 8.433 694 HA LYS 88 HA LYS 88 -15.196 -2.785 10.299 695 HB2 LYS 88 HB2 LYS 88 -14.144 -4.958 10.157 696 HB3 LYS 88 HB3 LYS 88 -15.803 -5.167 10.695 697 HG2 LYS 88 HG2 LYS 88 -16.349 -5.646 8.167 698 HG3 LYS 88 HG3 LYS 88 -14.617 -5.776 7.963 699 HD2 LYS 88 HD2 LYS 88 -15.310 -8.007 8.280 700 HD3 LYS 88 HD3 LYS 88 -14.679 -7.530 9.858 701 HE2 LYS 88 HE2 LYS 88 -16.669 -8.611 10.416 702 HE3 LYS 88 HE3 LYS 88 -17.133 -6.911 10.445 703 HZ1 LYS 88 HZ1 LYS 88 -17.629 -8.761 8.178 704 HZ2 LYS 88 HZ2 LYS 88 -18.089 -7.178 8.274 705 HZ3 LYS 88 HZ3 LYS 88 -18.736 -8.251 9.319 706 H ILE 89 H ILE 89 -13.042 -2.692 9.162 707 HA ILE 89 HA ILE 89 -13.540 -1.375 6.623 708 HB ILE 89 HB ILE 89 -11.058 -1.682 8.312 709 HG12 ILE 89 HG12 ILE 89 -12.266 1.016 7.880 710 HG13 ILE 89 HG13 ILE 89 -13.346 -0.071 8.731 711 HG21 ILE 89 HG21 ILE 89 -10.150 0.254 6.953 712 HG22 ILE 89 HG22 ILE 89 -10.230 -1.284 6.102 713 HG23 ILE 89 HG23 ILE 89 -11.452 -0.031 5.779 714 HD11 ILE 89 HD11 ILE 89 -11.829 1.228 10.237 715 HD12 ILE 89 HD12 ILE 89 -11.701 -0.528 10.441 716 HD13 ILE 89 HD13 ILE 89 -10.450 0.336 9.524 717 H GLN 90 H GLN 90 -14.252 -3.196 5.457 718 HA GLN 90 HA GLN 90 -12.455 -5.295 4.592 719 HB2 GLN 90 HB2 GLN 90 -15.092 -4.276 3.495 720 HB3 GLN 90 HB3 GLN 90 -14.240 -5.712 2.911 721 HG2 GLN 90 HG2 GLN 90 -14.419 -6.702 5.193 722 HG3 GLN 90 HG3 GLN 90 -15.379 -5.351 5.722 723 HE21 GLN 90 HE21 GLN 90 -15.835 -8.430 5.030 724 HE22 GLN 90 HE22 GLN 90 -17.270 -8.405 4.061 725 HA PRO 91 HA PRO 91 -10.828 -2.843 1.109 726 HB2 PRO 91 HB2 PRO 91 -9.578 -4.932 -0.181 727 HB3 PRO 91 HB3 PRO 91 -8.867 -3.993 1.163 728 HG2 PRO 91 HG2 PRO 91 -9.993 -6.763 1.229 729 HG3 PRO 91 HG3 PRO 91 -8.795 -5.989 2.312 730 HD2 PRO 91 HD2 PRO 91 -11.514 -6.411 2.778 731 HD3 PRO 91 HD3 PRO 91 -10.396 -5.367 3.737 732 H ALA 92 H ALA 92 -10.680 -3.141 -1.342 733 HA ALA 92 HA ALA 92 -13.266 -3.638 -2.334 734 HB1 ALA 92 HB1 ALA 92 -11.473 -1.950 -3.196 735 HB2 ALA 92 HB2 ALA 92 -10.770 -3.318 -4.043 736 HB3 ALA 92 HB3 ALA 92 -12.418 -2.808 -4.428 737 H SER 93 H SER 93 -10.617 -5.749 -1.987 738 HA SER 93 HA SER 93 -11.959 -8.024 -3.243 739 HB2 SER 93 HB2 SER 93 -9.179 -7.048 -4.067 740 HB3 SER 93 HB3 SER 93 -9.969 -8.536 -4.621 741 HG SER 93 HG SER 93 -10.112 -6.856 -6.148 742 H ALA 94 H ALA 94 -10.575 -10.074 -2.717 743 HA ALA 94 HA ALA 94 -9.351 -10.001 -0.108 744 HB1 ALA 94 HB1 ALA 94 -9.141 -12.093 -2.306 745 HB2 ALA 94 HB2 ALA 94 -8.626 -12.279 -0.606 746 HB3 ALA 94 HB3 ALA 94 -10.346 -12.031 -0.993 747 H VAL 95 H VAL 95 -7.750 -8.650 0.093 748 HA VAL 95 HA VAL 95 -5.406 -8.495 -1.727 749 HB VAL 95 HB VAL 95 -4.926 -6.465 -0.432 750 HG11 VAL 95 HG11 VAL 95 -7.218 -5.261 -0.921 751 HG12 VAL 95 HG12 VAL 95 -6.166 -5.764 -2.223 752 HG13 VAL 95 HG13 VAL 95 -7.570 -6.739 -1.843 753 HG21 VAL 95 HG21 VAL 95 -6.672 -5.589 1.135 754 HG22 VAL 95 HG22 VAL 95 -7.418 -7.195 1.145 755 HG23 VAL 95 HG23 VAL 95 -5.774 -6.979 1.755 756 H ASN 96 H ASN 96 -3.431 -7.803 0.310 757 HA ASN 96 HA ASN 96 -3.434 -10.047 2.183 758 HB2 ASN 96 HB2 ASN 96 -1.210 -10.598 1.495 759 HB3 ASN 96 HB3 ASN 96 -2.372 -10.817 0.191 760 HD21 ASN 96 HD21 ASN 96 0.344 -10.830 -0.597 761 HD22 ASN 96 HD22 ASN 96 0.507 -9.331 -1.472 762 H VAL 97 H VAL 97 -2.717 -9.453 4.190 763 HA VAL 97 HA VAL 97 -2.123 -6.653 4.528 764 HB VAL 97 HB VAL 97 -2.118 -8.770 6.727 765 HG11 VAL 97 HG11 VAL 97 -3.213 -5.935 6.833 766 HG12 VAL 97 HG12 VAL 97 -2.893 -7.041 8.184 767 HG13 VAL 97 HG13 VAL 97 -1.547 -6.316 7.313 768 HG21 VAL 97 HG21 VAL 97 -4.141 -9.257 5.595 769 HG22 VAL 97 HG22 VAL 97 -4.610 -8.189 6.926 770 HG23 VAL 97 HG23 VAL 97 -4.484 -7.541 5.283 771 H ILE 98 H ILE 98 -0.041 -7.966 3.100 772 HA ILE 98 HA ILE 98 2.142 -8.944 4.640 773 HB ILE 98 HB ILE 98 3.439 -8.538 2.574 774 HG12 ILE 98 HG12 ILE 98 0.934 -7.262 1.420 775 HG13 ILE 98 HG13 ILE 98 2.367 -6.377 1.943 776 HG21 ILE 98 HG21 ILE 98 0.704 -9.764 2.070 777 HG22 ILE 98 HG22 ILE 98 2.187 -10.112 1.154 778 HG23 ILE 98 HG23 ILE 98 2.055 -10.589 2.850 779 HD11 ILE 98 HD11 ILE 98 1.975 -7.996 -0.473 780 HD12 ILE 98 HD12 ILE 98 2.975 -6.559 -0.193 781 HD13 ILE 98 HD13 ILE 98 3.573 -8.138 0.317 782 H GLY 99 H GLY 99 1.010 -5.763 4.468 783 HA2 GLY 99 HA2 GLY 99 3.658 -4.571 5.048 784 HA3 GLY 99 HA3 GLY 99 2.472 -3.776 4.017 785 H LYS 100 H LYS 100 3.344 -2.585 6.428 786 HA LYS 100 HA LYS 100 0.678 -2.220 7.697 787 HB2 LYS 100 HB2 LYS 100 2.196 -3.532 9.208 788 HB3 LYS 100 HB3 LYS 100 3.408 -2.297 9.052 789 HG2 LYS 100 HG2 LYS 100 2.513 -1.652 11.056 790 HG3 LYS 100 HG3 LYS 100 1.516 -0.663 9.977 791 HD2 LYS 100 HD2 LYS 100 -0.124 -2.570 9.930 792 HD3 LYS 100 HD3 LYS 100 0.886 -3.402 11.129 793 HE2 LYS 100 HE2 LYS 100 0.515 -1.625 12.770 794 HE3 LYS 100 HE3 LYS 100 -0.262 -0.610 11.539 795 HZ1 LYS 100 HZ1 LYS 100 -1.372 -3.183 12.453 796 HZ2 LYS 100 HZ2 LYS 100 -2.025 -2.199 11.365 797 HZ3 LYS 100 HZ3 LYS 100 -1.904 -1.710 12.962 798 H ILE 101 H ILE 101 0.155 0.005 7.488 799 HA ILE 101 HA ILE 101 2.121 1.940 6.392 800 HB ILE 101 HB ILE 101 -0.646 2.326 7.591 801 HG12 ILE 101 HG12 ILE 101 0.118 2.580 4.652 802 HG13 ILE 101 HG13 ILE 101 -0.569 1.114 5.359 803 HG21 ILE 101 HG21 ILE 101 0.909 4.328 7.807 804 HG22 ILE 101 HG22 ILE 101 1.262 4.236 6.081 805 HG23 ILE 101 HG23 ILE 101 -0.360 4.671 6.658 806 HD11 ILE 101 HD11 ILE 101 -2.372 2.356 4.487 807 HD12 ILE 101 HD12 ILE 101 -2.482 2.461 6.249 808 HD13 ILE 101 HD13 ILE 101 -1.878 3.846 5.298 809 H VAL 102 H VAL 102 3.738 1.834 8.050 810 HA VAL 102 HA VAL 102 2.954 1.860 10.892 811 HB VAL 102 HB VAL 102 5.341 1.995 11.397 812 HG11 VAL 102 HG11 VAL 102 5.924 -0.269 10.658 813 HG12 VAL 102 HG12 VAL 102 4.252 -0.160 11.208 814 HG13 VAL 102 HG13 VAL 102 4.610 -0.219 9.472 815 HG21 VAL 102 HG21 VAL 102 5.659 2.118 8.386 816 HG22 VAL 102 HG22 VAL 102 6.395 3.185 9.546 817 HG23 VAL 102 HG23 VAL 102 6.974 1.536 9.384 818 H GLU 103 H GLU 103 4.695 4.158 8.627 819 HA GLU 103 HA GLU 103 4.315 6.222 10.776 820 HB2 GLU 103 HB2 GLU 103 6.118 6.207 8.321 821 HB3 GLU 103 HB3 GLU 103 5.765 7.572 9.221 822 HG2 GLU 103 HG2 GLU 103 6.663 5.537 11.085 823 HG3 GLU 103 HG3 GLU 103 7.764 5.662 9.738 824 H GLY 104 H GLY 104 3.735 8.291 9.922 825 HA2 GLY 104 HA2 GLY 104 2.730 9.783 8.552 826 HA3 GLY 104 HA3 GLY 104 3.016 8.628 7.253 827 H LEU 105 H LEU 105 0.973 7.629 9.806 828 HA LEU 105 HA LEU 105 -1.084 6.844 8.093 829 HB2 LEU 105 HB2 LEU 105 -0.538 6.193 10.599 830 HB3 LEU 105 HB3 LEU 105 -1.585 7.524 11.030 831 HG LEU 105 HG LEU 105 -3.009 5.664 11.045 832 HD11 LEU 105 HD11 LEU 105 -3.478 6.590 8.274 833 HD12 LEU 105 HD12 LEU 105 -4.053 7.426 9.745 834 HD13 LEU 105 HD13 LEU 105 -4.608 5.781 9.385 835 HD21 LEU 105 HD21 LEU 105 -1.320 4.726 8.744 836 HD22 LEU 105 HD22 LEU 105 -2.984 4.151 8.846 837 HD23 LEU 105 HD23 LEU 105 -1.849 3.867 10.191 838 H GLU 106 H GLU 106 -1.161 9.603 10.414 839 HA GLU 106 HA GLU 106 -3.769 10.329 9.517 840 HB2 GLU 106 HB2 GLU 106 -1.903 12.286 10.879 841 HB3 GLU 106 HB3 GLU 106 -3.672 12.197 10.895 842 HG2 GLU 106 HG2 GLU 106 -3.159 9.854 12.096 843 HG3 GLU 106 HG3 GLU 106 -1.615 10.656 12.432 844 H ASP 107 H ASP 107 -0.611 11.072 8.228 845 HA ASP 107 HA ASP 107 -1.289 13.610 7.024 846 HB2 ASP 107 HB2 ASP 107 1.126 11.927 7.091 847 HB3 ASP 107 HB3 ASP 107 0.863 12.875 5.620 848 H LEU 108 H LEU 108 -1.904 10.330 6.176 849 HA LEU 108 HA LEU 108 -2.247 10.734 3.375 850 HB2 LEU 108 HB2 LEU 108 -3.621 8.755 5.206 851 HB3 LEU 108 HB3 LEU 108 -3.537 8.657 3.463 852 HG LEU 108 HG LEU 108 -1.190 8.567 5.388 853 HD11 LEU 108 HD11 LEU 108 -2.347 6.410 3.633 854 HD12 LEU 108 HD12 LEU 108 -2.584 6.578 5.391 855 HD13 LEU 108 HD13 LEU 108 -0.963 6.288 4.774 856 HD21 LEU 108 HD21 LEU 108 -0.398 9.681 3.378 857 HD22 LEU 108 HD22 LEU 108 -1.137 8.431 2.352 858 HD23 LEU 108 HD23 LEU 108 0.222 8.032 3.420 859 H LYS 109 H LYS 109 -4.306 11.827 5.990 860 HA LYS 109 HA LYS 109 -6.723 12.065 4.551 861 HB2 LYS 109 HB2 LYS 109 -5.385 13.801 6.689 862 HB3 LYS 109 HB3 LYS 109 -6.967 14.206 6.076 863 HG2 LYS 109 HG2 LYS 109 -6.420 11.496 7.291 864 HG3 LYS 109 HG3 LYS 109 -6.780 12.904 8.286 865 HD2 LYS 109 HD2 LYS 109 -8.936 13.199 7.042 866 HD3 LYS 109 HD3 LYS 109 -8.563 11.735 6.108 867 HE2 LYS 109 HE2 LYS 109 -9.565 10.567 7.729 868 HE3 LYS 109 HE3 LYS 109 -8.121 10.864 8.703 869 HZ1 LYS 109 HZ1 LYS 109 -9.216 12.660 9.772 870 HZ2 LYS 109 HZ2 LYS 109 -10.306 11.429 9.717 871 HZ3 LYS 109 HZ3 LYS 109 -10.453 12.677 8.661 872 H LYS 110 H LYS 110 -3.712 13.972 4.069 873 HA LYS 110 HA LYS 110 -5.294 16.102 2.799 874 HB2 LYS 110 HB2 LYS 110 -3.564 17.574 3.409 875 HB3 LYS 110 HB3 LYS 110 -4.303 16.852 4.793 876 HG2 LYS 110 HG2 LYS 110 -1.962 15.252 4.002 877 HG3 LYS 110 HG3 LYS 110 -1.515 16.930 3.999 878 HD2 LYS 110 HD2 LYS 110 -1.124 15.996 6.226 879 HD3 LYS 110 HD3 LYS 110 -2.384 17.256 6.252 880 HE2 LYS 110 HE2 LYS 110 -4.152 15.541 6.293 881 HE3 LYS 110 HE3 LYS 110 -2.942 14.270 6.197 882 HZ1 LYS 110 HZ1 LYS 110 -3.431 14.383 8.410 883 HZ2 LYS 110 HZ2 LYS 110 -3.527 16.047 8.447 884 HZ3 LYS 110 HZ3 LYS 110 -2.077 15.291 8.362 885 H ILE 111 H ILE 111 -4.425 13.693 1.350 886 HA ILE 111 HA ILE 111 -2.302 14.770 -0.444 887 HB ILE 111 HB ILE 111 -3.237 11.893 -0.132 888 HG12 ILE 111 HG12 ILE 111 -2.336 12.489 2.054 889 HG13 ILE 111 HG13 ILE 111 -1.283 11.368 1.226 890 HG21 ILE 111 HG21 ILE 111 -0.679 13.073 -1.294 891 HG22 ILE 111 HG22 ILE 111 -1.039 11.354 -1.121 892 HG23 ILE 111 HG23 ILE 111 -2.029 12.355 -2.202 893 HD11 ILE 111 HD11 ILE 111 0.311 13.199 0.718 894 HD12 ILE 111 HD12 ILE 111 -0.788 14.366 1.495 895 HD13 ILE 111 HD13 ILE 111 -0.023 13.089 2.448 896 H LYS 112 H LYS 112 -2.705 14.556 -2.693 897 HA LYS 112 HA LYS 112 -5.585 14.842 -3.388 898 HB2 LYS 112 HB2 LYS 112 -3.184 15.410 -5.134 899 HB3 LYS 112 HB3 LYS 112 -4.845 15.785 -5.477 900 HG2 LYS 112 HG2 LYS 112 -3.398 17.025 -3.131 901 HG3 LYS 112 HG3 LYS 112 -3.294 17.644 -4.759 902 HD2 LYS 112 HD2 LYS 112 -5.017 18.927 -3.946 903 HD3 LYS 112 HD3 LYS 112 -5.905 17.628 -4.750 904 HE2 LYS 112 HE2 LYS 112 -6.932 17.179 -2.785 905 HE3 LYS 112 HE3 LYS 112 -5.379 16.624 -2.159 906 HZ1 LYS 112 HZ1 LYS 112 -4.908 18.936 -1.551 907 HZ2 LYS 112 HZ2 LYS 112 -6.110 18.232 -0.720 908 HZ3 LYS 112 HZ3 LYS 112 -6.489 19.328 -1.900 909 H ASP 113 H ASP 113 -6.114 13.934 -5.401 910 HA ASP 113 HA ASP 113 -5.589 11.176 -5.902 911 HB2 ASP 113 HB2 ASP 113 -7.640 12.548 -6.425 912 HB3 ASP 113 HB3 ASP 113 -6.804 13.168 -7.838 913 H GLY 114 H GLY 114 -3.055 13.046 -6.092 914 HA2 GLY 114 HA2 GLY 114 -1.700 11.782 -8.166 915 HA3 GLY 114 HA3 GLY 114 -2.296 13.270 -8.884 916 H GLU 115 H GLU 115 -0.806 12.417 -5.711 917 HA GLU 115 HA GLU 115 0.974 14.788 -5.890 918 HB2 GLU 115 HB2 GLU 115 0.229 12.965 -3.563 919 HB3 GLU 115 HB3 GLU 115 1.347 14.314 -3.486 920 HG2 GLU 115 HG2 GLU 115 -1.564 14.524 -4.184 921 HG3 GLU 115 HG3 GLU 115 -0.842 14.849 -2.614 922 H LYS 116 H LYS 116 1.581 12.475 -7.459 923 HA LYS 116 HA LYS 116 3.262 10.959 -7.968 924 HB2 LYS 116 HB2 LYS 116 4.398 13.673 -7.429 925 HB3 LYS 116 HB3 LYS 116 5.549 12.347 -7.703 926 HG2 LYS 116 HG2 LYS 116 4.452 11.679 -9.721 927 HG3 LYS 116 HG3 LYS 116 3.213 12.922 -9.522 928 HD2 LYS 116 HD2 LYS 116 5.118 14.642 -9.688 929 HD3 LYS 116 HD3 LYS 116 6.226 13.294 -9.918 930 HE2 LYS 116 HE2 LYS 116 5.950 13.635 -12.063 931 HE3 LYS 116 HE3 LYS 116 4.497 12.671 -11.897 932 HZ1 LYS 116 HZ1 LYS 116 3.163 14.565 -11.960 933 HZ2 LYS 116 HZ2 LYS 116 4.260 14.895 -13.086 934 HZ3 LYS 116 HZ3 LYS 116 4.385 15.614 -11.595 935 H VAL 117 H VAL 117 2.918 9.434 -6.348 936 HA VAL 117 HA VAL 117 4.222 9.616 -3.740 937 HB VAL 117 HB VAL 117 2.224 8.476 -3.958 938 HG11 VAL 117 HG11 VAL 117 3.223 6.019 -5.312 939 HG12 VAL 117 HG12 VAL 117 1.572 6.664 -5.091 940 HG13 VAL 117 HG13 VAL 117 2.656 7.384 -6.282 941 HG21 VAL 117 HG21 VAL 117 3.592 7.781 -2.124 942 HG22 VAL 117 HG22 VAL 117 2.338 6.625 -2.614 943 HG23 VAL 117 HG23 VAL 117 4.011 6.313 -3.071 944 H ALA 118 H ALA 118 6.439 9.560 -3.687 945 HA ALA 118 HA ALA 118 8.031 8.201 -5.802 946 HB1 ALA 118 HB1 ALA 118 8.746 10.156 -3.557 947 HB2 ALA 118 HB2 ALA 118 9.891 9.468 -4.726 948 HB3 ALA 118 HB3 ALA 118 8.578 10.534 -5.287 949 H VAL 119 H VAL 119 7.765 6.086 -5.194 950 HA VAL 119 HA VAL 119 7.721 5.108 -2.479 951 HB VAL 119 HB VAL 119 7.899 3.752 -5.221 952 HG11 VAL 119 HG11 VAL 119 7.491 2.667 -2.443 953 HG12 VAL 119 HG12 VAL 119 6.886 1.804 -3.864 954 HG13 VAL 119 HG13 VAL 119 8.621 2.146 -3.734 955 HG21 VAL 119 HG21 VAL 119 5.863 4.956 -5.223 956 HG22 VAL 119 HG22 VAL 119 5.404 3.317 -4.771 957 HG23 VAL 119 HG23 VAL 119 5.528 4.584 -3.534 958 H ARG 120 H ARG 120 9.451 4.250 -1.318 959 HA ARG 120 HA ARG 120 12.079 3.840 -2.616 960 HB2 ARG 120 HB2 ARG 120 11.934 5.382 -0.039 961 HB3 ARG 120 HB3 ARG 120 13.222 5.277 -1.223 962 HG2 ARG 120 HG2 ARG 120 11.689 6.625 -2.802 963 HG3 ARG 120 HG3 ARG 120 10.664 6.891 -1.368 964 HD2 ARG 120 HD2 ARG 120 12.672 7.766 -0.177 965 HD3 ARG 120 HD3 ARG 120 13.573 7.577 -1.694 966 HE ARG 120 HE ARG 120 11.131 9.229 -1.715 967 HH11 ARG 120 HH11 ARG 120 14.683 9.132 -1.873 968 HH12 ARG 120 HH12 ARG 120 14.885 10.830 -2.026 969 HH21 ARG 120 HH21 ARG 120 11.420 11.596 -2.080 970 HH22 ARG 120 HH22 ARG 120 13.032 12.202 -2.096 971 H PHE 121 H PHE 121 13.613 3.138 -0.470 972 HA PHE 121 HA PHE 121 12.329 0.652 0.409 973 HB2 PHE 121 HB2 PHE 121 15.107 1.747 0.086 974 HB3 PHE 121 HB3 PHE 121 14.891 0.385 1.179 975 HD1 PHE 121 HD1 PHE 121 12.961 -1.242 0.095 976 HD2 PHE 121 HD2 PHE 121 16.041 0.936 -1.860 977 HE1 PHE 121 HE1 PHE 121 13.070 -3.043 -1.719 978 HE2 PHE 121 HE2 PHE 121 16.224 -0.806 -3.641 979 HZ PHE 121 HZ PHE 121 14.740 -2.781 -3.582 980 H ALA 122 H ALA 122 12.628 3.265 1.709 981 HA ALA 122 HA ALA 122 12.549 4.360 3.955 982 HB1 ALA 122 HB1 ALA 122 11.701 3.245 5.758 983 HB2 ALA 122 HB2 ALA 122 10.937 2.417 4.388 984 HB3 ALA 122 HB3 ALA 122 12.319 1.697 5.213 985 H SER 123 H SER 123 14.748 5.016 3.628 986 HA SER 123 HA SER 123 16.775 3.576 5.206 987 HB2 SER 123 HB2 SER 123 16.739 5.445 2.939 988 HB3 SER 123 HB3 SER 123 17.937 5.783 4.164 989 HG SER 123 HG SER 123 17.506 3.234 2.922 990 H SER 124 H SER 124 14.226 4.952 6.195 991 HA SER 124 HA SER 124 15.345 6.891 8.091 992 HB2 SER 124 HB2 SER 124 12.669 5.460 8.226 993 HB3 SER 124 HB3 SER 124 13.153 6.985 8.970 994 HG SER 124 HG SER 124 11.815 7.362 7.285 Start of MODEL 8 1 H1 MET 1 H1 MET 1 10.015 -5.532 4.682 2 HA MET 1 HA MET 1 12.623 -4.191 4.858 3 HB2 MET 1 HB2 MET 1 13.040 -4.598 2.675 4 HB3 MET 1 HB3 MET 1 11.901 -5.926 2.947 5 HG2 MET 1 HG2 MET 1 10.098 -4.555 2.107 6 HG3 MET 1 HG3 MET 1 11.246 -3.277 1.705 7 HE1 MET 1 HE1 MET 1 9.208 -4.519 -0.425 8 HE2 MET 1 HE2 MET 1 10.362 -3.203 -0.725 9 HE3 MET 1 HE3 MET 1 10.302 -4.607 -1.821 10 H ARG 2 H ARG 2 12.654 -2.057 4.981 11 HA ARG 2 HA ARG 2 10.113 -0.678 5.404 12 HB2 ARG 2 HB2 ARG 2 13.059 0.072 5.489 13 HB3 ARG 2 HB3 ARG 2 11.871 1.350 5.302 14 HG2 ARG 2 HG2 ARG 2 11.039 -0.468 7.416 15 HG3 ARG 2 HG3 ARG 2 12.699 0.030 7.670 16 HD2 ARG 2 HD2 ARG 2 11.288 2.408 6.968 17 HD3 ARG 2 HD3 ARG 2 10.222 1.508 8.042 18 HE ARG 2 HE ARG 2 11.556 2.075 9.775 19 HH11 ARG 2 HH11 ARG 2 13.782 2.196 6.960 20 HH12 ARG 2 HH12 ARG 2 14.908 3.216 7.849 21 HH21 ARG 2 HH21 ARG 2 13.072 3.599 10.714 22 HH22 ARG 2 HH22 ARG 2 14.618 3.804 9.885 23 H VAL 3 H VAL 3 9.337 0.973 4.191 24 HA VAL 3 HA VAL 3 10.552 1.741 1.659 25 HB VAL 3 HB VAL 3 7.905 0.248 1.803 26 HG11 VAL 3 HG11 VAL 3 7.678 0.850 -0.691 27 HG12 VAL 3 HG12 VAL 3 7.215 2.035 0.527 28 HG13 VAL 3 HG13 VAL 3 8.754 2.194 -0.343 29 HG21 VAL 3 HG21 VAL 3 9.653 -1.267 1.316 30 HG22 VAL 3 HG22 VAL 3 8.909 -0.951 -0.234 31 HG23 VAL 3 HG23 VAL 3 10.439 -0.128 0.178 32 H GLU 4 H GLU 4 10.147 3.873 1.277 33 HA GLU 4 HA GLU 4 8.362 5.406 3.121 34 HB2 GLU 4 HB2 GLU 4 10.684 5.745 3.662 35 HB3 GLU 4 HB3 GLU 4 11.097 5.903 1.936 36 HG2 GLU 4 HG2 GLU 4 9.655 8.034 1.966 37 HG3 GLU 4 HG3 GLU 4 9.636 7.848 3.723 38 H LEU 5 H LEU 5 6.750 6.211 1.976 39 HA LEU 5 HA LEU 5 6.933 6.852 -0.881 40 HB2 LEU 5 HB2 LEU 5 4.774 6.377 1.199 41 HB3 LEU 5 HB3 LEU 5 4.423 7.280 -0.260 42 HG LEU 5 HG LEU 5 5.200 5.426 -1.612 43 HD11 LEU 5 HD11 LEU 5 5.278 3.674 0.829 44 HD12 LEU 5 HD12 LEU 5 6.661 4.133 -0.209 45 HD13 LEU 5 HD13 LEU 5 5.344 3.142 -0.845 46 HD21 LEU 5 HD21 LEU 5 2.755 5.639 -0.140 47 HD22 LEU 5 HD22 LEU 5 3.161 3.934 -0.173 48 HD23 LEU 5 HD23 LEU 5 3.013 4.806 -1.694 49 H LEU 6 H LEU 6 7.764 8.847 -1.143 50 HA LEU 6 HA LEU 6 7.012 11.102 0.663 51 HB2 LEU 6 HB2 LEU 6 9.273 10.450 -1.143 52 HB3 LEU 6 HB3 LEU 6 8.571 11.999 -1.550 53 HG LEU 6 HG LEU 6 9.263 11.332 1.333 54 HD11 LEU 6 HD11 LEU 6 11.292 10.959 0.044 55 HD12 LEU 6 HD12 LEU 6 11.439 12.477 0.945 56 HD13 LEU 6 HD13 LEU 6 11.083 12.504 -0.807 57 HD21 LEU 6 HD21 LEU 6 9.136 13.992 -0.175 58 HD22 LEU 6 HD22 LEU 6 9.358 13.772 1.572 59 HD23 LEU 6 HD23 LEU 6 7.814 13.358 0.807 60 H PHE 7 H PHE 7 5.317 12.363 -0.007 61 HA PHE 7 HA PHE 7 4.334 12.112 -2.831 62 HB2 PHE 7 HB2 PHE 7 2.756 13.149 -0.493 63 HB3 PHE 7 HB3 PHE 7 2.160 12.658 -2.049 64 HD1 PHE 7 HD1 PHE 7 3.488 11.371 1.200 65 HD2 PHE 7 HD2 PHE 7 1.507 10.380 -2.500 66 HE1 PHE 7 HE1 PHE 7 2.922 9.157 2.140 67 HE2 PHE 7 HE2 PHE 7 1.141 8.100 -1.678 68 HZ PHE 7 HZ PHE 7 1.787 7.458 0.621 69 H GLU 8 H GLU 8 3.283 14.285 -3.540 70 HA GLU 8 HA GLU 8 5.073 16.479 -2.960 71 HB2 GLU 8 HB2 GLU 8 2.380 16.651 -4.301 72 HB3 GLU 8 HB3 GLU 8 3.713 17.816 -4.420 73 HG2 GLU 8 HG2 GLU 8 4.930 15.449 -5.255 74 HG3 GLU 8 HG3 GLU 8 3.269 15.244 -5.795 75 H SER 9 H SER 9 2.289 15.295 -1.327 76 HA SER 9 HA SER 9 1.905 17.833 0.220 77 HB2 SER 9 HB2 SER 9 0.091 15.624 -0.720 78 HB3 SER 9 HB3 SER 9 -0.320 16.455 0.773 79 HG SER 9 HG SER 9 -0.145 17.540 -1.836 80 H GLY 10 H GLY 10 3.656 15.079 0.771 81 HA2 GLY 10 HA2 GLY 10 3.855 15.306 3.507 82 HA3 GLY 10 HA3 GLY 10 2.486 14.205 3.292 83 H LYS 11 H LYS 11 3.972 12.600 4.412 84 HA LYS 11 HA LYS 11 5.085 10.891 2.442 85 HB2 LYS 11 HB2 LYS 11 7.317 10.632 3.458 86 HB3 LYS 11 HB3 LYS 11 7.063 12.157 2.614 87 HG2 LYS 11 HG2 LYS 11 6.913 13.411 4.643 88 HG3 LYS 11 HG3 LYS 11 6.697 11.942 5.605 89 HD2 LYS 11 HD2 LYS 11 9.043 11.285 5.133 90 HD3 LYS 11 HD3 LYS 11 9.275 12.800 4.228 91 HE2 LYS 11 HE2 LYS 11 9.486 14.040 6.139 92 HE3 LYS 11 HE3 LYS 11 8.022 13.327 6.806 93 HZ1 LYS 11 HZ1 LYS 11 9.427 11.363 7.397 94 HZ2 LYS 11 HZ2 LYS 11 9.640 12.725 8.261 95 HZ3 LYS 11 HZ3 LYS 11 10.766 12.314 7.136 96 H CYS 12 H CYS 12 5.533 8.784 3.364 97 HA CYS 12 HA CYS 12 4.816 8.338 6.211 98 HB2 CYS 12 HB2 CYS 12 3.084 6.759 5.755 99 HB3 CYS 12 HB3 CYS 12 2.684 8.237 4.865 100 HG CYS 12 HG CYS 12 4.239 5.605 3.612 101 H VAL 13 H VAL 13 4.976 5.843 6.512 102 HA VAL 13 HA VAL 13 7.195 4.695 4.940 103 HB VAL 13 HB VAL 13 7.273 4.652 7.922 104 HG11 VAL 13 HG11 VAL 13 8.453 2.827 6.724 105 HG12 VAL 13 HG12 VAL 13 9.376 4.038 5.807 106 HG13 VAL 13 HG13 VAL 13 9.579 3.912 7.566 107 HG21 VAL 13 HG21 VAL 13 8.760 6.548 6.077 108 HG22 VAL 13 HG22 VAL 13 7.644 6.981 7.401 109 HG23 VAL 13 HG23 VAL 13 9.197 6.256 7.779 110 H ILE 14 H ILE 14 6.752 2.509 4.555 111 HA ILE 14 HA ILE 14 4.700 1.157 6.179 112 HB ILE 14 HB ILE 14 3.901 0.028 4.198 113 HG12 ILE 14 HG12 ILE 14 5.893 1.673 2.588 114 HG13 ILE 14 HG13 ILE 14 5.955 -0.058 2.908 115 HG21 ILE 14 HG21 ILE 14 2.899 2.234 4.864 116 HG22 ILE 14 HG22 ILE 14 3.870 3.013 3.604 117 HG23 ILE 14 HG23 ILE 14 2.653 1.807 3.159 118 HD11 ILE 14 HD11 ILE 14 4.074 1.434 1.101 119 HD12 ILE 14 HD12 ILE 14 5.158 0.097 0.726 120 HD13 ILE 14 HD13 ILE 14 3.687 -0.201 1.692 121 H ASP 15 H ASP 15 5.047 -1.133 6.172 122 HA ASP 15 HA ASP 15 7.693 -2.052 5.089 123 HB2 ASP 15 HB2 ASP 15 7.347 -1.387 7.816 124 HB3 ASP 15 HB3 ASP 15 6.784 -3.020 7.870 125 H LEU 16 H LEU 16 7.905 -3.824 4.298 126 HA LEU 16 HA LEU 16 5.604 -5.685 4.184 127 HB2 LEU 16 HB2 LEU 16 7.758 -5.256 2.117 128 HB3 LEU 16 HB3 LEU 16 6.119 -5.892 1.925 129 HG LEU 16 HG LEU 16 6.331 -3.821 0.930 130 HD11 LEU 16 HD11 LEU 16 4.497 -2.531 1.696 131 HD12 LEU 16 HD12 LEU 16 4.696 -3.137 3.346 132 HD13 LEU 16 HD13 LEU 16 4.154 -4.236 2.064 133 HD21 LEU 16 HD21 LEU 16 7.040 -1.871 1.400 134 HD22 LEU 16 HD22 LEU 16 8.236 -3.055 1.959 135 HD23 LEU 16 HD23 LEU 16 7.180 -2.212 3.131 136 H ASN 17 H ASN 17 6.026 -7.465 5.053 137 HA ASN 17 HA ASN 17 8.580 -8.406 6.040 138 HB2 ASN 17 HB2 ASN 17 6.354 -9.174 6.975 139 HB3 ASN 17 HB3 ASN 17 6.151 -10.117 5.498 140 HD21 ASN 17 HD21 ASN 17 6.190 -12.232 6.478 141 HD22 ASN 17 HD22 ASN 17 7.660 -12.838 7.205 142 H GLU 18 H GLU 18 10.190 -9.701 5.119 143 HA GLU 18 HA GLU 18 10.203 -9.812 2.239 144 HB2 GLU 18 HB2 GLU 18 12.250 -10.531 4.383 145 HB3 GLU 18 HB3 GLU 18 12.573 -10.608 2.644 146 HG2 GLU 18 HG2 GLU 18 11.939 -8.224 2.412 147 HG3 GLU 18 HG3 GLU 18 11.770 -8.104 4.158 148 H GLU 19 H GLU 19 8.293 -11.771 3.521 149 HA GLU 19 HA GLU 19 9.580 -14.359 2.756 150 HB2 GLU 19 HB2 GLU 19 7.445 -13.842 4.847 151 HB3 GLU 19 HB3 GLU 19 8.040 -15.429 4.351 152 HG2 GLU 19 HG2 GLU 19 10.362 -14.733 5.025 153 HG3 GLU 19 HG3 GLU 19 9.687 -13.242 5.700 154 H TYR 20 H TYR 20 7.816 -12.125 1.393 155 HA TYR 20 HA TYR 20 5.839 -13.982 0.174 156 HB2 TYR 20 HB2 TYR 20 5.410 -10.996 0.479 157 HB3 TYR 20 HB3 TYR 20 4.295 -12.215 -0.028 158 HD1 TYR 20 HD1 TYR 20 3.834 -14.189 1.690 159 HD2 TYR 20 HD2 TYR 20 5.156 -10.240 2.774 160 HE1 TYR 20 HE1 TYR 20 2.949 -14.545 3.978 161 HE2 TYR 20 HE2 TYR 20 4.148 -10.529 5.016 162 HH TYR 20 HH TYR 20 2.794 -13.627 6.185 163 H GLU 21 H GLU 21 5.934 -14.146 -1.926 164 HA GLU 21 HA GLU 21 8.073 -13.512 -3.374 165 HB2 GLU 21 HB2 GLU 21 5.765 -14.884 -3.909 166 HB3 GLU 21 HB3 GLU 21 5.459 -13.469 -4.887 167 HG2 GLU 21 HG2 GLU 21 6.532 -14.936 -6.319 168 HG3 GLU 21 HG3 GLU 21 7.843 -13.857 -5.850 169 H VAL 22 H VAL 22 5.071 -11.525 -3.512 170 HA VAL 22 HA VAL 22 6.146 -9.778 -5.388 171 HB VAL 22 HB VAL 22 3.738 -10.073 -4.702 172 HG11 VAL 22 HG11 VAL 22 2.756 -8.754 -2.915 173 HG12 VAL 22 HG12 VAL 22 3.930 -9.917 -2.278 174 HG13 VAL 22 HG13 VAL 22 4.349 -8.192 -2.411 175 HG21 VAL 22 HG21 VAL 22 2.969 -7.831 -5.219 176 HG22 VAL 22 HG22 VAL 22 4.504 -7.124 -4.690 177 HG23 VAL 22 HG23 VAL 22 4.453 -8.122 -6.150 178 H VAL 23 H VAL 23 6.722 -9.668 -1.908 179 HA VAL 23 HA VAL 23 7.719 -6.940 -1.721 180 HB VAL 23 HB VAL 23 8.199 -9.436 -0.032 181 HG11 VAL 23 HG11 VAL 23 8.759 -6.512 0.548 182 HG12 VAL 23 HG12 VAL 23 8.851 -7.835 1.725 183 HG13 VAL 23 HG13 VAL 23 9.967 -7.799 0.361 184 HG21 VAL 23 HG21 VAL 23 5.831 -8.868 -0.068 185 HG22 VAL 23 HG22 VAL 23 6.495 -8.291 1.458 186 HG23 VAL 23 HG23 VAL 23 6.184 -7.154 0.119 187 H LYS 24 H LYS 24 9.222 -10.219 -2.156 188 HA LYS 24 HA LYS 24 11.888 -9.320 -2.520 189 HB2 LYS 24 HB2 LYS 24 10.491 -11.741 -3.741 190 HB3 LYS 24 HB3 LYS 24 12.225 -11.510 -3.599 191 HG2 LYS 24 HG2 LYS 24 12.159 -11.670 -1.204 192 HG3 LYS 24 HG3 LYS 24 10.396 -11.577 -1.143 193 HD2 LYS 24 HD2 LYS 24 10.105 -13.655 -2.269 194 HD3 LYS 24 HD3 LYS 24 11.824 -13.812 -2.614 195 HE2 LYS 24 HE2 LYS 24 10.708 -13.669 0.221 196 HE3 LYS 24 HE3 LYS 24 10.807 -15.170 -0.677 197 HZ1 LYS 24 HZ1 LYS 24 12.723 -14.873 0.713 198 HZ2 LYS 24 HZ2 LYS 24 13.122 -13.466 0.026 199 HZ3 LYS 24 HZ3 LYS 24 13.220 -14.836 -0.872 200 H LEU 25 H LEU 25 9.213 -9.780 -4.954 201 HA LEU 25 HA LEU 25 10.830 -9.319 -7.256 202 HB2 LEU 25 HB2 LEU 25 7.879 -9.052 -6.619 203 HB3 LEU 25 HB3 LEU 25 8.544 -8.722 -8.204 204 HG LEU 25 HG LEU 25 7.510 -11.103 -7.366 205 HD11 LEU 25 HD11 LEU 25 8.480 -11.988 -9.486 206 HD12 LEU 25 HD12 LEU 25 9.590 -10.592 -9.502 207 HD13 LEU 25 HD13 LEU 25 7.837 -10.345 -9.671 208 HD21 LEU 25 HD21 LEU 25 9.278 -12.814 -7.431 209 HD22 LEU 25 HD22 LEU 25 9.370 -11.803 -6.003 210 HD23 LEU 25 HD23 LEU 25 10.518 -11.557 -7.332 211 H LEU 26 H LEU 26 8.833 -7.229 -5.170 212 HA LEU 26 HA LEU 26 8.984 -4.841 -6.582 213 HB2 LEU 26 HB2 LEU 26 8.247 -5.716 -3.884 214 HB3 LEU 26 HB3 LEU 26 9.239 -4.340 -3.751 215 HG LEU 26 HG LEU 26 6.552 -4.598 -5.104 216 HD11 LEU 26 HD11 LEU 26 6.597 -4.242 -2.685 217 HD12 LEU 26 HD12 LEU 26 5.934 -2.828 -3.515 218 HD13 LEU 26 HD13 LEU 26 7.593 -2.783 -2.886 219 HD21 LEU 26 HD21 LEU 26 6.680 -2.153 -5.680 220 HD22 LEU 26 HD22 LEU 26 7.762 -3.130 -6.657 221 HD23 LEU 26 HD23 LEU 26 8.420 -2.192 -5.306 222 H LYS 27 H LYS 27 11.501 -6.474 -4.732 223 HA LYS 27 HA LYS 27 13.023 -4.172 -4.017 224 HB2 LYS 27 HB2 LYS 27 13.209 -6.703 -3.254 225 HB3 LYS 27 HB3 LYS 27 14.293 -6.838 -4.649 226 HG2 LYS 27 HG2 LYS 27 15.508 -4.753 -3.612 227 HG3 LYS 27 HG3 LYS 27 14.538 -5.092 -2.172 228 HD2 LYS 27 HD2 LYS 27 16.563 -6.160 -1.759 229 HD3 LYS 27 HD3 LYS 27 15.527 -7.498 -2.305 230 HE2 LYS 27 HE2 LYS 27 16.492 -7.257 -4.604 231 HE3 LYS 27 HE3 LYS 27 17.454 -5.882 -4.037 232 HZ1 LYS 27 HZ1 LYS 27 18.421 -7.497 -2.404 233 HZ2 LYS 27 HZ2 LYS 27 18.898 -7.631 -3.967 234 HZ3 LYS 27 HZ3 LYS 27 17.805 -8.705 -3.359 235 H GLU 28 H GLU 28 12.675 -5.970 -7.040 236 HA GLU 28 HA GLU 28 15.078 -4.968 -8.314 237 HB2 GLU 28 HB2 GLU 28 12.511 -6.097 -9.463 238 HB3 GLU 28 HB3 GLU 28 14.014 -5.873 -10.346 239 HG2 GLU 28 HG2 GLU 28 13.703 -7.681 -7.882 240 HG3 GLU 28 HG3 GLU 28 13.553 -8.194 -9.528 241 H LYS 29 H LYS 29 12.080 -3.542 -7.485 242 HA LYS 29 HA LYS 29 12.122 -1.584 -9.727 243 HB2 LYS 29 HB2 LYS 29 9.710 -2.709 -8.243 244 HB3 LYS 29 HB3 LYS 29 9.724 -1.631 -9.638 245 HG2 LYS 29 HG2 LYS 29 10.560 -4.554 -9.666 246 HG3 LYS 29 HG3 LYS 29 9.029 -3.881 -10.232 247 HD2 LYS 29 HD2 LYS 29 10.380 -2.414 -11.847 248 HD3 LYS 29 HD3 LYS 29 11.794 -3.397 -11.402 249 HE2 LYS 29 HE2 LYS 29 10.475 -5.450 -12.018 250 HE3 LYS 29 HE3 LYS 29 9.164 -4.414 -12.587 251 HZ1 LYS 29 HZ1 LYS 29 10.696 -5.154 -14.341 252 HZ2 LYS 29 HZ2 LYS 29 11.941 -4.387 -13.595 253 HZ3 LYS 29 HZ3 LYS 29 10.712 -3.494 -14.234 254 H ILE 30 H ILE 30 13.359 -1.312 -6.931 255 HA ILE 30 HA ILE 30 11.723 1.022 -6.100 256 HB ILE 30 HB ILE 30 13.078 -1.028 -4.352 257 HG12 ILE 30 HG12 ILE 30 10.245 -0.018 -3.956 258 HG13 ILE 30 HG13 ILE 30 10.567 -1.247 -5.144 259 HG21 ILE 30 HG21 ILE 30 11.922 1.647 -3.387 260 HG22 ILE 30 HG22 ILE 30 12.583 0.368 -2.386 261 HG23 ILE 30 HG23 ILE 30 13.630 1.263 -3.492 262 HD11 ILE 30 HD11 ILE 30 11.571 -2.659 -3.329 263 HD12 ILE 30 HD12 ILE 30 11.181 -1.387 -2.152 264 HD13 ILE 30 HD13 ILE 30 9.883 -2.217 -3.015 265 HA PRO 31 HA PRO 31 12.102 3.038 -5.188 266 HB2 PRO 31 HB2 PRO 31 12.896 5.412 -6.555 267 HB3 PRO 31 HB3 PRO 31 13.052 5.068 -4.813 268 HG2 PRO 31 HG2 PRO 31 15.137 5.170 -6.846 269 HG3 PRO 31 HG3 PRO 31 15.271 5.075 -5.059 270 HD2 PRO 31 HD2 PRO 31 15.679 2.959 -6.985 271 HD3 PRO 31 HD3 PRO 31 15.735 2.848 -5.206 272 H PHE 32 H PHE 32 10.392 4.340 -6.305 273 HA PHE 32 HA PHE 32 10.390 4.441 -9.046 274 HB2 PHE 32 HB2 PHE 32 8.544 3.150 -9.788 275 HB3 PHE 32 HB3 PHE 32 9.696 2.086 -9.036 276 HD1 PHE 32 HD1 PHE 32 9.265 1.319 -6.681 277 HD2 PHE 32 HD2 PHE 32 6.225 3.194 -9.050 278 HE1 PHE 32 HE1 PHE 32 7.518 0.126 -5.368 279 HE2 PHE 32 HE2 PHE 32 4.473 2.123 -7.700 280 HZ PHE 32 HZ PHE 32 5.118 0.495 -5.896 281 H GLU 33 H GLU 33 8.272 5.442 -9.946 282 HA GLU 33 HA GLU 33 6.909 7.080 -7.907 283 HB2 GLU 33 HB2 GLU 33 8.173 7.784 -10.548 284 HB3 GLU 33 HB3 GLU 33 6.811 8.686 -9.985 285 HG2 GLU 33 HG2 GLU 33 7.964 9.160 -7.886 286 HG3 GLU 33 HG3 GLU 33 9.406 8.295 -8.430 287 H SER 34 H SER 34 4.818 7.803 -8.691 288 HA SER 34 HA SER 34 3.486 6.440 -10.861 289 HB2 SER 34 HB2 SER 34 3.802 4.550 -9.160 290 HB3 SER 34 HB3 SER 34 2.637 5.406 -8.145 291 HG SER 34 HG SER 34 2.292 4.502 -10.833 292 H VAL 35 H VAL 35 0.780 6.433 -9.705 293 HA VAL 35 HA VAL 35 0.390 9.361 -9.152 294 HB VAL 35 HB VAL 35 -1.545 7.548 -10.659 295 HG11 VAL 35 HG11 VAL 35 -2.582 9.559 -9.707 296 HG12 VAL 35 HG12 VAL 35 -1.347 10.591 -10.471 297 HG13 VAL 35 HG13 VAL 35 -2.513 9.689 -11.463 298 HG21 VAL 35 HG21 VAL 35 0.453 7.645 -12.057 299 HG22 VAL 35 HG22 VAL 35 -0.810 8.647 -12.767 300 HG23 VAL 35 HG23 VAL 35 0.531 9.416 -11.882 301 H VAL 36 H VAL 36 -0.877 9.752 -7.386 302 HA VAL 36 HA VAL 36 -1.657 7.538 -5.697 303 HB VAL 36 HB VAL 36 -2.119 10.562 -5.267 304 HG11 VAL 36 HG11 VAL 36 -3.237 8.987 -3.671 305 HG12 VAL 36 HG12 VAL 36 -1.590 8.501 -3.177 306 HG13 VAL 36 HG13 VAL 36 -2.124 10.149 -2.950 307 HG21 VAL 36 HG21 VAL 36 0.381 9.156 -4.341 308 HG22 VAL 36 HG22 VAL 36 0.288 10.363 -5.664 309 HG23 VAL 36 HG23 VAL 36 -0.115 10.823 -4.028 310 H ASN 37 H ASN 37 -3.414 6.622 -7.034 311 HA ASN 37 HA ASN 37 -5.759 8.339 -7.653 312 HB2 ASN 37 HB2 ASN 37 -5.538 5.312 -7.636 313 HB3 ASN 37 HB3 ASN 37 -6.835 6.270 -8.355 314 HD21 ASN 37 HD21 ASN 37 -3.490 5.252 -8.684 315 HD22 ASN 37 HD22 ASN 37 -3.268 5.694 -10.363 316 H THR 38 H THR 38 -7.698 8.362 -6.382 317 HA THR 38 HA THR 38 -7.464 7.080 -3.691 318 HB THR 38 HB THR 38 -8.469 9.129 -2.755 319 HG1 THR 38 HG1 THR 38 -8.226 10.003 -5.440 320 HG21 THR 38 HG21 THR 38 -6.473 10.564 -2.779 321 HG22 THR 38 HG22 THR 38 -5.817 9.635 -4.143 322 HG23 THR 38 HG23 THR 38 -6.071 8.866 -2.568 323 H TRP 39 H TRP 39 -9.405 6.421 -2.701 324 HA TRP 39 HA TRP 39 -11.951 6.588 -4.228 325 HB2 TRP 39 HB2 TRP 39 -10.799 4.815 -5.338 326 HB3 TRP 39 HB3 TRP 39 -10.298 4.084 -3.825 327 HD1 TRP 39 HD1 TRP 39 -13.437 4.492 -6.013 328 HE1 TRP 39 HE1 TRP 39 -14.973 2.435 -5.577 329 HE3 TRP 39 HE3 TRP 39 -10.894 2.314 -2.152 330 HZ2 TRP 39 HZ2 TRP 39 -15.030 0.163 -3.825 331 HZ3 TRP 39 HZ3 TRP 39 -11.608 0.157 -1.211 332 HH2 TRP 39 HH2 TRP 39 -13.627 -0.972 -2.093 333 H GLY 40 H GLY 40 -11.964 7.941 -2.014 334 HA2 GLY 40 HA2 GLY 40 -13.333 8.062 -0.083 335 HA3 GLY 40 HA3 GLY 40 -13.876 6.462 -0.510 336 H GLU 41 H GLU 41 -11.166 8.228 1.042 337 HA GLU 41 HA GLU 41 -9.740 7.688 2.718 338 HB2 GLU 41 HB2 GLU 41 -12.139 6.037 3.594 339 HB3 GLU 41 HB3 GLU 41 -10.672 6.145 4.545 340 HG2 GLU 41 HG2 GLU 41 -10.952 8.333 5.100 341 HG3 GLU 41 HG3 GLU 41 -11.817 8.752 3.626 342 H GLU 42 H GLU 42 -9.679 6.169 0.172 343 HA GLU 42 HA GLU 42 -7.680 4.140 0.976 344 HB2 GLU 42 HB2 GLU 42 -9.736 3.039 -0.016 345 HB3 GLU 42 HB3 GLU 42 -9.629 4.140 -1.376 346 HG2 GLU 42 HG2 GLU 42 -8.676 2.376 -2.402 347 HG3 GLU 42 HG3 GLU 42 -7.209 2.947 -1.659 348 H ILE 43 H ILE 43 -5.861 4.219 -0.260 349 HA ILE 43 HA ILE 43 -5.660 6.071 -2.551 350 HB ILE 43 HB ILE 43 -3.703 5.643 -0.276 351 HG12 ILE 43 HG12 ILE 43 -4.211 8.353 -1.448 352 HG13 ILE 43 HG13 ILE 43 -5.508 7.668 -0.473 353 HG21 ILE 43 HG21 ILE 43 -2.371 5.368 -2.303 354 HG22 ILE 43 HG22 ILE 43 -3.090 6.821 -3.005 355 HG23 ILE 43 HG23 ILE 43 -2.023 6.926 -1.572 356 HD11 ILE 43 HD11 ILE 43 -4.108 7.430 1.435 357 HD12 ILE 43 HD12 ILE 43 -2.646 7.745 0.532 358 HD13 ILE 43 HD13 ILE 43 -3.802 9.073 0.772 359 H TYR 44 H TYR 44 -4.636 4.998 -4.311 360 HA TYR 44 HA TYR 44 -3.068 2.616 -3.709 361 HB2 TYR 44 HB2 TYR 44 -4.124 1.269 -5.439 362 HB3 TYR 44 HB3 TYR 44 -5.207 1.577 -4.093 363 HD1 TYR 44 HD1 TYR 44 -7.025 3.399 -4.406 364 HD2 TYR 44 HD2 TYR 44 -4.737 1.786 -7.687 365 HE1 TYR 44 HE1 TYR 44 -8.663 4.330 -5.999 366 HE2 TYR 44 HE2 TYR 44 -6.396 2.666 -9.288 367 HH TYR 44 HH TYR 44 -8.951 4.912 -8.292 368 H PHE 45 H PHE 45 -1.646 2.116 -5.610 369 HA PHE 45 HA PHE 45 -1.589 4.130 -7.765 370 HB2 PHE 45 HB2 PHE 45 0.915 4.211 -7.489 371 HB3 PHE 45 HB3 PHE 45 -0.031 5.155 -6.385 372 HD1 PHE 45 HD1 PHE 45 -0.323 4.389 -3.996 373 HD2 PHE 45 HD2 PHE 45 2.270 2.287 -6.713 374 HE1 PHE 45 HE1 PHE 45 0.962 3.509 -2.084 375 HE2 PHE 45 HE2 PHE 45 3.587 1.432 -4.751 376 HZ PHE 45 HZ PHE 45 2.961 2.131 -2.447 377 H SER 46 H SER 46 -0.310 3.218 -9.648 378 HA SER 46 HA SER 46 -0.743 0.328 -9.832 379 HB2 SER 46 HB2 SER 46 -1.361 1.907 -11.650 380 HB3 SER 46 HB3 SER 46 0.362 2.264 -11.897 381 HG SER 46 HG SER 46 -1.203 0.038 -12.496 382 H THR 47 H THR 47 0.820 -0.874 -8.778 383 HA THR 47 HA THR 47 3.566 -0.005 -8.605 384 HB THR 47 HB THR 47 3.931 -2.267 -7.725 385 HG1 THR 47 HG1 THR 47 1.903 -2.953 -9.125 386 HG21 THR 47 HG21 THR 47 3.087 -0.499 -6.185 387 HG22 THR 47 HG22 THR 47 2.568 -2.117 -5.697 388 HG23 THR 47 HG23 THR 47 1.421 -1.024 -6.497 389 HA PRO 48 HA PRO 48 4.981 -1.433 -12.497 390 HB2 PRO 48 HB2 PRO 48 7.628 -1.921 -11.921 391 HB3 PRO 48 HB3 PRO 48 6.942 -0.270 -12.024 392 HG2 PRO 48 HG2 PRO 48 7.462 -1.945 -9.564 393 HG3 PRO 48 HG3 PRO 48 7.855 -0.208 -9.847 394 HD2 PRO 48 HD2 PRO 48 5.648 -0.996 -8.490 395 HD3 PRO 48 HD3 PRO 48 5.603 0.413 -9.580 396 H VAL 49 H VAL 49 5.656 -3.404 -9.618 397 HA VAL 49 HA VAL 49 5.997 -5.898 -11.135 398 HB VAL 49 HB VAL 49 7.168 -5.482 -8.990 399 HG11 VAL 49 HG11 VAL 49 5.537 -4.190 -7.729 400 HG12 VAL 49 HG12 VAL 49 4.392 -5.549 -7.723 401 HG13 VAL 49 HG13 VAL 49 5.924 -5.682 -6.858 402 HG21 VAL 49 HG21 VAL 49 6.593 -7.649 -7.911 403 HG22 VAL 49 HG22 VAL 49 5.214 -7.798 -8.992 404 HG23 VAL 49 HG23 VAL 49 6.851 -7.768 -9.669 405 H ASN 50 H ASN 50 4.482 -7.538 -11.240 406 HA ASN 50 HA ASN 50 1.668 -6.935 -10.548 407 HB2 ASN 50 HB2 ASN 50 2.710 -8.088 -13.165 408 HB3 ASN 50 HB3 ASN 50 1.034 -8.132 -12.642 409 HD21 ASN 50 HD21 ASN 50 2.256 -5.026 -11.741 410 HD22 ASN 50 HD22 ASN 50 1.718 -4.214 -13.189 411 H VAL 51 H VAL 51 0.979 -8.651 -9.238 412 HA VAL 51 HA VAL 51 1.974 -11.363 -9.772 413 HB VAL 51 HB VAL 51 2.080 -10.204 -6.949 414 HG11 VAL 51 HG11 VAL 51 1.617 -12.603 -6.898 415 HG12 VAL 51 HG12 VAL 51 2.949 -12.923 -8.037 416 HG13 VAL 51 HG13 VAL 51 3.282 -12.335 -6.400 417 HG21 VAL 51 HG21 VAL 51 4.377 -10.853 -8.843 418 HG22 VAL 51 HG22 VAL 51 3.937 -9.276 -8.143 419 HG23 VAL 51 HG23 VAL 51 4.563 -10.542 -7.100 420 H GLN 52 H GLN 52 0.320 -12.915 -9.301 421 HA GLN 52 HA GLN 52 -2.196 -11.903 -8.051 422 HB2 GLN 52 HB2 GLN 52 -1.964 -13.431 -10.667 423 HB3 GLN 52 HB3 GLN 52 -3.438 -13.243 -9.709 424 HG2 GLN 52 HG2 GLN 52 -2.855 -10.657 -9.890 425 HG3 GLN 52 HG3 GLN 52 -1.882 -11.184 -11.260 426 HE21 GLN 52 HE21 GLN 52 -5.186 -11.825 -9.904 427 HE22 GLN 52 HE22 GLN 52 -6.022 -11.670 -11.448 428 H LYS 53 H LYS 53 -0.116 -13.262 -6.768 429 HA LYS 53 HA LYS 53 -1.483 -15.684 -5.828 430 HB2 LYS 53 HB2 LYS 53 0.531 -16.239 -7.204 431 HB3 LYS 53 HB3 LYS 53 1.541 -15.272 -6.120 432 HG2 LYS 53 HG2 LYS 53 0.919 -16.684 -4.195 433 HG3 LYS 53 HG3 LYS 53 -0.237 -17.551 -5.218 434 HD2 LYS 53 HD2 LYS 53 1.668 -18.394 -6.601 435 HD3 LYS 53 HD3 LYS 53 2.803 -17.545 -5.525 436 HE2 LYS 53 HE2 LYS 53 2.682 -19.154 -3.951 437 HE3 LYS 53 HE3 LYS 53 0.915 -19.154 -3.977 438 HZ1 LYS 53 HZ1 LYS 53 2.652 -20.686 -5.804 439 HZ2 LYS 53 HZ2 LYS 53 0.971 -20.658 -5.850 440 HZ3 LYS 53 HZ3 LYS 53 1.788 -21.287 -4.574 441 H MET 54 H MET 54 -2.160 -15.132 -3.803 442 HA MET 54 HA MET 54 -0.601 -13.244 -2.143 443 HB2 MET 54 HB2 MET 54 -2.700 -13.580 -0.636 444 HB3 MET 54 HB3 MET 54 -2.727 -12.483 -2.010 445 HG2 MET 54 HG2 MET 54 -4.760 -13.849 -1.712 446 HG3 MET 54 HG3 MET 54 -4.061 -13.919 -3.300 447 HE1 MET 54 HE1 MET 54 -6.012 -15.775 -3.442 448 HE2 MET 54 HE2 MET 54 -4.647 -16.086 -4.533 449 HE3 MET 54 HE3 MET 54 -5.354 -17.422 -3.605 450 H GLU 55 H GLU 55 -0.003 -13.939 0.022 451 HA GLU 55 HA GLU 55 -0.184 -16.870 0.655 452 HB2 GLU 55 HB2 GLU 55 1.689 -14.603 1.357 453 HB3 GLU 55 HB3 GLU 55 1.559 -15.973 2.442 454 HG2 GLU 55 HG2 GLU 55 2.091 -16.481 -0.494 455 HG3 GLU 55 HG3 GLU 55 3.405 -15.962 0.556 456 H ASN 56 H ASN 56 -0.787 -13.552 1.905 457 HA ASN 56 HA ASN 56 -2.315 -14.798 4.156 458 HB2 ASN 56 HB2 ASN 56 -0.148 -13.804 4.825 459 HB3 ASN 56 HB3 ASN 56 -0.684 -12.234 4.204 460 HD21 ASN 56 HD21 ASN 56 -1.012 -11.019 6.132 461 HD22 ASN 56 HD22 ASN 56 -1.939 -11.631 7.491 462 HA PRO 57 HA PRO 57 -5.060 -11.918 1.749 463 HB2 PRO 57 HB2 PRO 57 -7.162 -13.676 1.246 464 HB3 PRO 57 HB3 PRO 57 -5.888 -13.171 0.106 465 HG2 PRO 57 HG2 PRO 57 -6.131 -15.714 1.638 466 HG3 PRO 57 HG3 PRO 57 -5.350 -15.392 0.052 467 HD2 PRO 57 HD2 PRO 57 -4.013 -15.709 2.511 468 HD3 PRO 57 HD3 PRO 57 -3.341 -14.936 1.053 469 H ARG 58 H ARG 58 -6.539 -10.779 2.861 470 HA ARG 58 HA ARG 58 -7.989 -11.923 5.147 471 HB2 ARG 58 HB2 ARG 58 -6.390 -9.336 5.258 472 HB3 ARG 58 HB3 ARG 58 -7.626 -9.760 6.408 473 HG2 ARG 58 HG2 ARG 58 -5.082 -11.409 6.045 474 HG3 ARG 58 HG3 ARG 58 -5.312 -10.112 7.223 475 HD2 ARG 58 HD2 ARG 58 -7.503 -11.485 7.847 476 HD3 ARG 58 HD3 ARG 58 -6.637 -12.811 7.100 477 HE ARG 58 HE ARG 58 -5.681 -11.126 9.409 478 HH11 ARG 58 HH11 ARG 58 -5.554 -14.434 7.947 479 HH12 ARG 58 HH12 ARG 58 -5.124 -15.104 9.495 480 HH21 ARG 58 HH21 ARG 58 -4.840 -11.999 11.131 481 HH22 ARG 58 HH22 ARG 58 -4.379 -13.667 11.257 482 H GLU 59 H GLU 59 -10.116 -11.412 4.763 483 HA GLU 59 HA GLU 59 -10.700 -9.315 2.740 484 HB2 GLU 59 HB2 GLU 59 -12.327 -11.538 4.001 485 HB3 GLU 59 HB3 GLU 59 -13.049 -10.280 2.982 486 HG2 GLU 59 HG2 GLU 59 -11.565 -10.851 1.106 487 HG3 GLU 59 HG3 GLU 59 -10.781 -12.111 2.083 488 H VAL 60 H VAL 60 -10.164 -9.226 6.019 489 HA VAL 60 HA VAL 60 -11.722 -6.747 6.259 490 HB VAL 60 HB VAL 60 -11.768 -9.023 8.300 491 HG11 VAL 60 HG11 VAL 60 -11.551 -6.904 9.499 492 HG12 VAL 60 HG12 VAL 60 -12.876 -6.198 8.547 493 HG13 VAL 60 HG13 VAL 60 -13.195 -7.554 9.645 494 HG21 VAL 60 HG21 VAL 60 -14.204 -8.949 8.051 495 HG22 VAL 60 HG22 VAL 60 -14.051 -7.682 6.814 496 HG23 VAL 60 HG23 VAL 60 -13.447 -9.325 6.510 497 H VAL 61 H VAL 61 -10.410 -5.170 7.331 498 HA VAL 61 HA VAL 61 -7.673 -5.935 8.094 499 HB VAL 61 HB VAL 61 -6.724 -4.348 6.480 500 HG11 VAL 61 HG11 VAL 61 -8.395 -6.400 4.978 501 HG12 VAL 61 HG12 VAL 61 -6.862 -5.668 4.478 502 HG13 VAL 61 HG13 VAL 61 -6.904 -6.763 5.873 503 HG21 VAL 61 HG21 VAL 61 -8.536 -2.803 6.081 504 HG22 VAL 61 HG22 VAL 61 -8.119 -3.554 4.539 505 HG23 VAL 61 HG23 VAL 61 -9.569 -4.074 5.406 506 H GLU 62 H GLU 62 -6.474 -3.754 8.750 507 HA GLU 62 HA GLU 62 -8.460 -2.140 10.281 508 HB2 GLU 62 HB2 GLU 62 -5.566 -2.796 10.978 509 HB3 GLU 62 HB3 GLU 62 -6.705 -1.824 11.924 510 HG2 GLU 62 HG2 GLU 62 -8.237 -4.013 11.721 511 HG3 GLU 62 HG3 GLU 62 -6.661 -4.759 11.447 512 H ILE 63 H ILE 63 -7.542 -0.165 11.048 513 HA ILE 63 HA ILE 63 -6.971 1.613 8.771 514 HB ILE 63 HB ILE 63 -7.344 2.450 11.678 515 HG12 ILE 63 HG12 ILE 63 -9.522 2.184 9.576 516 HG13 ILE 63 HG13 ILE 63 -9.260 1.050 10.918 517 HG21 ILE 63 HG21 ILE 63 -7.928 3.898 9.078 518 HG22 ILE 63 HG22 ILE 63 -7.953 4.622 10.693 519 HG23 ILE 63 HG23 ILE 63 -6.419 4.115 9.989 520 HD11 ILE 63 HD11 ILE 63 -11.005 2.521 11.613 521 HD12 ILE 63 HD12 ILE 63 -9.545 2.950 12.515 522 HD13 ILE 63 HD13 ILE 63 -10.086 3.945 11.123 523 H GLY 64 H GLY 64 -4.963 0.458 8.621 524 HA2 GLY 64 HA2 GLY 64 -2.581 1.753 9.226 525 HA3 GLY 64 HA3 GLY 64 -2.873 0.788 10.670 526 H ASP 65 H ASP 65 -4.122 -1.068 8.091 527 HA ASP 65 HA ASP 65 -1.514 -2.484 7.897 528 HB2 ASP 65 HB2 ASP 65 -4.287 -3.307 6.933 529 HB3 ASP 65 HB3 ASP 65 -2.874 -4.317 6.789 530 H VAL 66 H VAL 66 -1.268 -3.532 5.559 531 HA VAL 66 HA VAL 66 -2.198 -1.734 3.406 532 HB VAL 66 HB VAL 66 0.689 -2.528 4.020 533 HG11 VAL 66 HG11 VAL 66 -0.358 -1.300 1.455 534 HG12 VAL 66 HG12 VAL 66 1.351 -1.370 1.943 535 HG13 VAL 66 HG13 VAL 66 0.465 -2.873 1.665 536 HG21 VAL 66 HG21 VAL 66 1.023 -0.050 3.898 537 HG22 VAL 66 HG22 VAL 66 -0.762 0.093 3.739 538 HG23 VAL 66 HG23 VAL 66 -0.046 -0.617 5.197 539 H GLY 67 H GLY 67 -2.490 -2.854 1.446 540 HA2 GLY 67 HA2 GLY 67 -1.484 -5.607 1.383 541 HA3 GLY 67 HA3 GLY 67 -3.237 -5.415 1.149 542 H TYR 68 H TYR 68 -1.655 -6.673 -0.737 543 HA TYR 68 HA TYR 68 -1.127 -4.716 -2.918 544 HB2 TYR 68 HB2 TYR 68 0.258 -6.878 -2.467 545 HB3 TYR 68 HB3 TYR 68 -1.157 -7.750 -3.051 546 HD1 TYR 68 HD1 TYR 68 1.299 -5.098 -3.971 547 HD2 TYR 68 HD2 TYR 68 -1.525 -8.031 -5.386 548 HE1 TYR 68 HE1 TYR 68 2.036 -4.661 -6.267 549 HE2 TYR 68 HE2 TYR 68 -0.794 -7.592 -7.727 550 HH TYR 68 HH TYR 68 1.542 -5.037 -8.520 551 H TRP 69 H TRP 69 -2.537 -4.609 -4.728 552 HA TRP 69 HA TRP 69 -5.149 -5.948 -4.421 553 HB2 TRP 69 HB2 TRP 69 -5.128 -3.514 -3.869 554 HB3 TRP 69 HB3 TRP 69 -4.752 -3.176 -5.550 555 HD1 TRP 69 HD1 TRP 69 -7.323 -5.632 -3.937 556 HE1 TRP 69 HE1 TRP 69 -9.576 -5.314 -4.963 557 HE3 TRP 69 HE3 TRP 69 -6.295 -1.528 -6.844 558 HZ2 TRP 69 HZ2 TRP 69 -10.829 -3.591 -6.952 559 HZ3 TRP 69 HZ3 TRP 69 -8.076 -0.577 -8.300 560 HH2 TRP 69 HH2 TRP 69 -10.325 -1.633 -8.375 561 HA PRO 70 HA PRO 70 -2.965 -7.404 -8.165 562 HB2 PRO 70 HB2 PRO 70 -4.538 -9.741 -8.388 563 HB3 PRO 70 HB3 PRO 70 -2.935 -9.584 -7.640 564 HG2 PRO 70 HG2 PRO 70 -5.489 -10.009 -6.304 565 HG3 PRO 70 HG3 PRO 70 -3.835 -10.059 -5.627 566 HD2 PRO 70 HD2 PRO 70 -5.815 -7.958 -5.420 567 HD3 PRO 70 HD3 PRO 70 -4.296 -8.028 -4.654 568 HA PRO 71 HA PRO 71 -7.007 -7.639 -10.705 569 HB2 PRO 71 HB2 PRO 71 -9.337 -6.553 -9.698 570 HB3 PRO 71 HB3 PRO 71 -8.840 -8.260 -9.530 571 HG2 PRO 71 HG2 PRO 71 -8.666 -6.039 -7.525 572 HG3 PRO 71 HG3 PRO 71 -8.906 -7.797 -7.194 573 HD2 PRO 71 HD2 PRO 71 -6.641 -6.579 -6.840 574 HD3 PRO 71 HD3 PRO 71 -6.851 -8.342 -7.201 575 H GLY 72 H GLY 72 -6.350 -4.800 -8.622 576 HA2 GLY 72 HA2 GLY 72 -6.629 -2.927 -10.879 577 HA3 GLY 72 HA3 GLY 72 -6.266 -2.544 -9.209 578 H LYS 73 H LYS 73 -4.168 -5.111 -10.137 579 HA LYS 73 HA LYS 73 -1.913 -5.155 -10.276 580 HB2 LYS 73 HB2 LYS 73 -2.871 -3.520 -12.534 581 HB3 LYS 73 HB3 LYS 73 -1.269 -3.038 -12.057 582 HG2 LYS 73 HG2 LYS 73 -0.753 -4.636 -13.558 583 HG3 LYS 73 HG3 LYS 73 -0.670 -5.546 -12.043 584 HD2 LYS 73 HD2 LYS 73 -1.749 -6.839 -13.731 585 HD3 LYS 73 HD3 LYS 73 -2.952 -6.432 -12.489 586 HE2 LYS 73 HE2 LYS 73 -4.207 -5.191 -13.979 587 HE3 LYS 73 HE3 LYS 73 -2.769 -4.421 -14.649 588 HZ1 LYS 73 HZ1 LYS 73 -3.780 -5.698 -16.309 589 HZ2 LYS 73 HZ2 LYS 73 -3.738 -7.099 -15.406 590 HZ3 LYS 73 HZ3 LYS 73 -2.348 -6.404 -15.932 591 H ALA 74 H ALA 74 -2.949 -3.561 -8.048 592 HA ALA 74 HA ALA 74 -1.060 -1.272 -7.956 593 HB1 ALA 74 HB1 ALA 74 -3.167 -0.413 -8.813 594 HB2 ALA 74 HB2 ALA 74 -4.085 -1.261 -7.539 595 HB3 ALA 74 HB3 ALA 74 -3.020 0.091 -7.133 596 H LEU 75 H LEU 75 -1.404 -0.198 -5.771 597 HA LEU 75 HA LEU 75 -1.280 -2.249 -3.640 598 HB2 LEU 75 HB2 LEU 75 0.239 0.057 -4.045 599 HB3 LEU 75 HB3 LEU 75 -1.002 0.636 -2.931 600 HG LEU 75 HG LEU 75 -0.508 -1.650 -1.665 601 HD11 LEU 75 HD11 LEU 75 0.979 -2.550 -3.477 602 HD12 LEU 75 HD12 LEU 75 1.791 -2.440 -1.909 603 HD13 LEU 75 HD13 LEU 75 2.113 -1.226 -3.168 604 HD21 LEU 75 HD21 LEU 75 1.393 0.674 -1.608 605 HD22 LEU 75 HD22 LEU 75 1.220 -0.547 -0.336 606 HD23 LEU 75 HD23 LEU 75 -0.141 0.523 -0.730 607 H CYS 76 H CYS 76 -2.324 -1.092 -1.447 608 HA CYS 76 HA CYS 76 -4.656 0.541 -1.873 609 HB2 CYS 76 HB2 CYS 76 -4.778 -2.310 -0.829 610 HB3 CYS 76 HB3 CYS 76 -5.826 -1.072 -0.144 611 HG CYS 76 HG CYS 76 -5.463 -1.407 -3.380 612 H LEU 77 H LEU 77 -5.220 1.478 0.219 613 HA LEU 77 HA LEU 77 -3.217 1.312 2.397 614 HB2 LEU 77 HB2 LEU 77 -3.633 3.610 0.497 615 HB3 LEU 77 HB3 LEU 77 -3.394 4.029 2.165 616 HG LEU 77 HG LEU 77 -1.414 2.252 0.664 617 HD11 LEU 77 HD11 LEU 77 -1.524 4.219 -0.583 618 HD12 LEU 77 HD12 LEU 77 -0.057 4.284 0.382 619 HD13 LEU 77 HD13 LEU 77 -1.480 5.250 0.861 620 HD21 LEU 77 HD21 LEU 77 -1.520 2.306 3.256 621 HD22 LEU 77 HD22 LEU 77 -0.986 3.986 3.111 622 HD23 LEU 77 HD23 LEU 77 0.023 2.659 2.521 623 H PHE 78 H PHE 78 -4.473 1.059 4.182 624 HA PHE 78 HA PHE 78 -7.243 2.048 4.124 625 HB2 PHE 78 HB2 PHE 78 -5.913 0.081 6.003 626 HB3 PHE 78 HB3 PHE 78 -7.629 0.281 5.717 627 HD1 PHE 78 HD1 PHE 78 -7.880 0.310 2.778 628 HD2 PHE 78 HD2 PHE 78 -5.240 -2.015 5.255 629 HE1 PHE 78 HE1 PHE 78 -7.761 -1.413 1.023 630 HE2 PHE 78 HE2 PHE 78 -5.091 -3.755 3.471 631 HZ PHE 78 HZ PHE 78 -6.414 -3.444 1.341 632 H PHE 79 H PHE 79 -7.460 4.067 4.974 633 HA PHE 79 HA PHE 79 -6.303 4.556 7.657 634 HB2 PHE 79 HB2 PHE 79 -5.430 6.704 7.089 635 HB3 PHE 79 HB3 PHE 79 -4.701 5.443 6.137 636 HD1 PHE 79 HD1 PHE 79 -5.631 5.068 3.726 637 HD2 PHE 79 HD2 PHE 79 -6.437 8.586 6.056 638 HE1 PHE 79 HE1 PHE 79 -6.182 6.266 1.673 639 HE2 PHE 79 HE2 PHE 79 -6.861 9.863 3.914 640 HZ PHE 79 HZ PHE 79 -6.782 8.712 1.756 641 H GLY 80 H GLY 80 -9.141 4.116 6.533 642 HA2 GLY 80 HA2 GLY 80 -10.372 5.853 8.419 643 HA3 GLY 80 HA3 GLY 80 -10.778 6.397 6.781 644 H LYS 81 H LYS 81 -12.897 5.703 6.481 645 HA LYS 81 HA LYS 81 -13.445 2.782 6.759 646 HB2 LYS 81 HB2 LYS 81 -14.504 3.941 8.630 647 HB3 LYS 81 HB3 LYS 81 -15.297 5.068 7.515 648 HG2 LYS 81 HG2 LYS 81 -16.615 3.262 6.545 649 HG3 LYS 81 HG3 LYS 81 -15.766 2.049 7.510 650 HD2 LYS 81 HD2 LYS 81 -16.705 2.804 9.544 651 HD3 LYS 81 HD3 LYS 81 -17.181 4.363 8.890 652 HE2 LYS 81 HE2 LYS 81 -18.499 1.711 8.122 653 HE3 LYS 81 HE3 LYS 81 -19.090 2.832 9.339 654 HZ1 LYS 81 HZ1 LYS 81 -18.930 3.249 6.428 655 HZ2 LYS 81 HZ2 LYS 81 -19.036 4.526 7.417 656 HZ3 LYS 81 HZ3 LYS 81 -20.236 3.395 7.386 657 H THR 82 H THR 82 -13.112 2.322 4.612 658 HA THR 82 HA THR 82 -13.662 4.078 2.483 659 HB THR 82 HB THR 82 -13.322 1.599 1.346 660 HG1 THR 82 HG1 THR 82 -12.870 0.106 2.784 661 HG21 THR 82 HG21 THR 82 -11.660 3.197 1.023 662 HG22 THR 82 HG22 THR 82 -10.794 1.931 1.856 663 HG23 THR 82 HG23 THR 82 -11.287 3.357 2.764 664 HA PRO 83 HA PRO 83 -17.896 3.371 1.658 665 HB2 PRO 83 HB2 PRO 83 -18.094 3.795 -1.036 666 HB3 PRO 83 HB3 PRO 83 -17.570 5.060 0.096 667 HG2 PRO 83 HG2 PRO 83 -15.795 3.207 -1.538 668 HG3 PRO 83 HG3 PRO 83 -15.747 5.004 -1.458 669 HD2 PRO 83 HD2 PRO 83 -14.119 3.520 0.094 670 HD3 PRO 83 HD3 PRO 83 -14.916 4.984 0.746 671 H MET 84 H MET 84 -15.840 0.906 1.090 672 HA MET 84 HA MET 84 -17.912 -0.893 -0.070 673 HB2 MET 84 HB2 MET 84 -15.735 -0.382 -1.355 674 HB3 MET 84 HB3 MET 84 -14.934 -1.448 -0.199 675 HG2 MET 84 HG2 MET 84 -17.416 -2.318 -1.720 676 HG3 MET 84 HG3 MET 84 -15.864 -2.257 -2.537 677 HE1 MET 84 HE1 MET 84 -17.883 -4.775 -2.164 678 HE2 MET 84 HE2 MET 84 -16.460 -4.775 -3.223 679 HE3 MET 84 HE3 MET 84 -16.694 -6.073 -2.016 680 H SER 85 H SER 85 -17.561 0.148 2.666 681 HA SER 85 HA SER 85 -17.530 -2.426 4.061 682 HB2 SER 85 HB2 SER 85 -16.512 -0.469 5.852 683 HB3 SER 85 HB3 SER 85 -15.786 -1.978 5.300 684 HG SER 85 HG SER 85 -15.512 0.529 3.999 685 H ASP 86 H ASP 86 -18.718 -2.105 6.258 686 HA ASP 86 HA ASP 86 -20.590 0.154 6.215 687 HB2 ASP 86 HB2 ASP 86 -21.268 -1.681 4.581 688 HB3 ASP 86 HB3 ASP 86 -21.450 -2.769 5.943 689 H ASP 87 H ASP 87 -20.266 -3.163 7.589 690 HA ASP 87 HA ASP 87 -20.940 -2.223 10.236 691 HB2 ASP 87 HB2 ASP 87 -21.260 -4.712 9.312 692 HB3 ASP 87 HB3 ASP 87 -19.571 -4.878 9.544 693 H LYS 88 H LYS 88 -18.084 -3.389 8.643 694 HA LYS 88 HA LYS 88 -16.155 -2.399 10.655 695 HB2 LYS 88 HB2 LYS 88 -14.943 -4.532 10.400 696 HB3 LYS 88 HB3 LYS 88 -16.588 -4.815 10.956 697 HG2 LYS 88 HG2 LYS 88 -17.091 -5.137 8.325 698 HG3 LYS 88 HG3 LYS 88 -15.354 -5.356 8.241 699 HD2 LYS 88 HD2 LYS 88 -16.204 -7.520 8.422 700 HD3 LYS 88 HD3 LYS 88 -15.683 -7.188 10.059 701 HE2 LYS 88 HE2 LYS 88 -18.586 -6.523 9.326 702 HE3 LYS 88 HE3 LYS 88 -18.107 -8.219 9.491 703 HZ1 LYS 88 HZ1 LYS 88 -18.385 -7.974 11.636 704 HZ2 LYS 88 HZ2 LYS 88 -18.589 -6.355 11.526 705 HZ3 LYS 88 HZ3 LYS 88 -17.089 -6.973 11.731 706 H ILE 89 H ILE 89 -13.809 -2.602 9.336 707 HA ILE 89 HA ILE 89 -14.190 -1.199 6.788 708 HB ILE 89 HB ILE 89 -11.819 -1.977 8.500 709 HG12 ILE 89 HG12 ILE 89 -12.363 0.827 7.616 710 HG13 ILE 89 HG13 ILE 89 -13.587 0.153 8.691 711 HG21 ILE 89 HG21 ILE 89 -10.388 -0.625 6.909 712 HG22 ILE 89 HG22 ILE 89 -10.942 -2.153 6.241 713 HG23 ILE 89 HG23 ILE 89 -11.740 -0.648 5.756 714 HD11 ILE 89 HD11 ILE 89 -11.828 1.319 9.898 715 HD12 ILE 89 HD12 ILE 89 -11.890 -0.406 10.339 716 HD13 ILE 89 HD13 ILE 89 -10.611 0.179 9.240 717 H GLN 90 H GLN 90 -13.754 -2.088 4.746 718 HA GLN 90 HA GLN 90 -12.585 -4.742 4.622 719 HB2 GLN 90 HB2 GLN 90 -15.243 -4.055 3.298 720 HB3 GLN 90 HB3 GLN 90 -14.250 -5.461 2.919 721 HG2 GLN 90 HG2 GLN 90 -14.421 -5.916 5.524 722 HG3 GLN 90 HG3 GLN 90 -15.831 -4.863 5.431 723 HE21 GLN 90 HE21 GLN 90 -14.298 -7.760 3.936 724 HE22 GLN 90 HE22 GLN 90 -15.798 -8.444 3.317 725 HA PRO 91 HA PRO 91 -10.646 -2.682 1.160 726 HB2 PRO 91 HB2 PRO 91 -9.416 -4.794 -0.022 727 HB3 PRO 91 HB3 PRO 91 -8.845 -4.089 1.517 728 HG2 PRO 91 HG2 PRO 91 -10.569 -6.560 1.152 729 HG3 PRO 91 HG3 PRO 91 -9.209 -6.313 2.296 730 HD2 PRO 91 HD2 PRO 91 -11.844 -6.114 2.946 731 HD3 PRO 91 HD3 PRO 91 -10.562 -5.179 3.771 732 H ALA 92 H ALA 92 -10.400 -2.774 -1.156 733 HA ALA 92 HA ALA 92 -12.787 -3.200 -2.475 734 HB1 ALA 92 HB1 ALA 92 -11.099 -1.515 -3.151 735 HB2 ALA 92 HB2 ALA 92 -9.982 -2.799 -3.615 736 HB3 ALA 92 HB3 ALA 92 -11.487 -2.560 -4.528 737 H SER 93 H SER 93 -10.445 -5.638 -1.857 738 HA SER 93 HA SER 93 -12.148 -7.564 -2.834 739 HB2 SER 93 HB2 SER 93 -10.943 -8.670 -4.618 740 HB3 SER 93 HB3 SER 93 -11.159 -6.996 -5.121 741 HG SER 93 HG SER 93 -9.049 -7.952 -5.412 742 H ALA 94 H ALA 94 -10.465 -9.793 -2.941 743 HA ALA 94 HA ALA 94 -9.459 -9.920 -0.265 744 HB1 ALA 94 HB1 ALA 94 -10.393 -11.892 -1.251 745 HB2 ALA 94 HB2 ALA 94 -9.201 -11.852 -2.592 746 HB3 ALA 94 HB3 ALA 94 -8.672 -12.174 -0.930 747 H VAL 95 H VAL 95 -8.082 -8.020 -0.453 748 HA VAL 95 HA VAL 95 -5.478 -8.147 -1.698 749 HB VAL 95 HB VAL 95 -4.884 -6.393 -0.077 750 HG11 VAL 95 HG11 VAL 95 -7.683 -5.921 -1.181 751 HG12 VAL 95 HG12 VAL 95 -6.530 -4.678 -0.661 752 HG13 VAL 95 HG13 VAL 95 -6.147 -5.698 -2.045 753 HG21 VAL 95 HG21 VAL 95 -5.869 -7.162 1.976 754 HG22 VAL 95 HG22 VAL 95 -6.620 -5.613 1.609 755 HG23 VAL 95 HG23 VAL 95 -7.493 -7.122 1.290 756 H ASN 96 H ASN 96 -3.455 -8.309 -0.245 757 HA ASN 96 HA ASN 96 -3.751 -10.385 1.852 758 HB2 ASN 96 HB2 ASN 96 -1.343 -10.891 1.323 759 HB3 ASN 96 HB3 ASN 96 -2.525 -11.418 0.124 760 HD21 ASN 96 HD21 ASN 96 -0.049 -11.451 -0.933 761 HD22 ASN 96 HD22 ASN 96 0.036 -10.121 -2.054 762 H VAL 97 H VAL 97 -3.077 -9.872 3.864 763 HA VAL 97 HA VAL 97 -1.912 -7.192 4.205 764 HB VAL 97 HB VAL 97 -2.668 -9.250 6.308 765 HG11 VAL 97 HG11 VAL 97 -0.850 -7.822 7.150 766 HG12 VAL 97 HG12 VAL 97 -1.655 -6.369 6.535 767 HG13 VAL 97 HG13 VAL 97 -2.365 -7.283 7.880 768 HG21 VAL 97 HG21 VAL 97 -3.986 -6.606 5.527 769 HG22 VAL 97 HG22 VAL 97 -4.597 -8.211 5.102 770 HG23 VAL 97 HG23 VAL 97 -4.521 -7.729 6.799 771 H ILE 98 H ILE 98 -0.109 -7.538 2.991 772 HA ILE 98 HA ILE 98 2.037 -9.238 4.204 773 HB ILE 98 HB ILE 98 3.308 -8.741 2.140 774 HG12 ILE 98 HG12 ILE 98 0.683 -7.597 1.056 775 HG13 ILE 98 HG13 ILE 98 2.136 -6.664 1.438 776 HG21 ILE 98 HG21 ILE 98 0.659 -10.071 1.525 777 HG22 ILE 98 HG22 ILE 98 2.260 -10.434 0.841 778 HG23 ILE 98 HG23 ILE 98 1.907 -10.826 2.529 779 HD11 ILE 98 HD11 ILE 98 1.880 -8.802 -0.697 780 HD12 ILE 98 HD12 ILE 98 2.077 -7.064 -0.936 781 HD13 ILE 98 HD13 ILE 98 3.406 -8.000 -0.230 782 H GLY 99 H GLY 99 0.870 -5.920 3.855 783 HA2 GLY 99 HA2 GLY 99 3.510 -4.937 4.754 784 HA3 GLY 99 HA3 GLY 99 2.391 -4.038 3.737 785 H LYS 100 H LYS 100 3.384 -3.095 6.199 786 HA LYS 100 HA LYS 100 0.744 -2.612 7.516 787 HB2 LYS 100 HB2 LYS 100 2.477 -3.972 8.888 788 HB3 LYS 100 HB3 LYS 100 3.449 -2.512 8.924 789 HG2 LYS 100 HG2 LYS 100 2.275 -2.318 10.903 790 HG3 LYS 100 HG3 LYS 100 1.261 -1.351 9.833 791 HD2 LYS 100 HD2 LYS 100 0.079 -3.648 9.333 792 HD3 LYS 100 HD3 LYS 100 0.961 -4.247 10.704 793 HE2 LYS 100 HE2 LYS 100 -1.193 -2.083 10.700 794 HE3 LYS 100 HE3 LYS 100 -1.369 -3.739 11.263 795 HZ1 LYS 100 HZ1 LYS 100 0.171 -1.589 12.542 796 HZ2 LYS 100 HZ2 LYS 100 0.386 -3.165 12.955 797 HZ3 LYS 100 HZ3 LYS 100 -1.092 -2.450 13.153 798 H ILE 101 H ILE 101 0.327 -0.419 7.988 799 HA ILE 101 HA ILE 101 2.248 1.574 6.998 800 HB ILE 101 HB ILE 101 -0.448 1.784 8.458 801 HG12 ILE 101 HG12 ILE 101 0.106 2.485 5.543 802 HG13 ILE 101 HG13 ILE 101 -0.756 1.076 6.157 803 HG21 ILE 101 HG21 ILE 101 -0.256 4.290 8.041 804 HG22 ILE 101 HG22 ILE 101 1.093 3.727 8.993 805 HG23 ILE 101 HG23 ILE 101 1.321 4.030 7.260 806 HD11 ILE 101 HD11 ILE 101 -1.743 3.913 6.467 807 HD12 ILE 101 HD12 ILE 101 -2.374 2.665 5.381 808 HD13 ILE 101 HD13 ILE 101 -2.522 2.460 7.122 809 H VAL 102 H VAL 102 3.915 1.540 7.995 810 HA VAL 102 HA VAL 102 3.926 0.668 10.768 811 HB VAL 102 HB VAL 102 5.354 0.103 8.582 812 HG11 VAL 102 HG11 VAL 102 7.614 0.831 8.558 813 HG12 VAL 102 HG12 VAL 102 6.475 2.159 8.225 814 HG13 VAL 102 HG13 VAL 102 7.260 2.051 9.789 815 HG21 VAL 102 HG21 VAL 102 6.180 -0.188 11.429 816 HG22 VAL 102 HG22 VAL 102 5.103 -1.169 10.379 817 HG23 VAL 102 HG23 VAL 102 6.862 -1.086 10.046 818 H GLU 103 H GLU 103 4.425 3.593 8.876 819 HA GLU 103 HA GLU 103 4.007 5.270 11.233 820 HB2 GLU 103 HB2 GLU 103 6.591 4.978 9.779 821 HB3 GLU 103 HB3 GLU 103 6.093 6.640 10.072 822 HG2 GLU 103 HG2 GLU 103 5.708 5.271 12.491 823 HG3 GLU 103 HG3 GLU 103 7.242 4.707 11.814 824 H GLY 104 H GLY 104 3.483 7.490 10.657 825 HA2 GLY 104 HA2 GLY 104 2.971 9.267 9.322 826 HA3 GLY 104 HA3 GLY 104 3.405 8.327 7.884 827 H LEU 105 H LEU 105 0.980 7.231 10.288 828 HA LEU 105 HA LEU 105 -0.818 6.535 8.200 829 HB2 LEU 105 HB2 LEU 105 -0.816 5.467 10.440 830 HB3 LEU 105 HB3 LEU 105 -1.318 6.988 11.179 831 HG LEU 105 HG LEU 105 -3.489 6.877 9.933 832 HD11 LEU 105 HD11 LEU 105 -2.862 5.480 8.011 833 HD12 LEU 105 HD12 LEU 105 -4.153 4.687 8.920 834 HD13 LEU 105 HD13 LEU 105 -2.488 4.123 9.093 835 HD21 LEU 105 HD21 LEU 105 -3.318 6.054 12.231 836 HD22 LEU 105 HD22 LEU 105 -2.877 4.436 11.626 837 HD23 LEU 105 HD23 LEU 105 -4.477 5.110 11.283 838 H GLU 106 H GLU 106 -0.777 9.584 10.148 839 HA GLU 106 HA GLU 106 -3.460 10.217 9.126 840 HB2 GLU 106 HB2 GLU 106 -1.563 12.045 10.636 841 HB3 GLU 106 HB3 GLU 106 -3.288 12.306 10.321 842 HG2 GLU 106 HG2 GLU 106 -3.736 10.151 11.612 843 HG3 GLU 106 HG3 GLU 106 -2.034 10.173 12.074 844 H ASP 107 H ASP 107 -0.184 10.687 8.110 845 HA ASP 107 HA ASP 107 -0.378 13.096 6.634 846 HB2 ASP 107 HB2 ASP 107 1.458 10.703 6.570 847 HB3 ASP 107 HB3 ASP 107 1.547 11.928 5.290 848 H LEU 108 H LEU 108 -1.621 9.940 6.027 849 HA LEU 108 HA LEU 108 -1.951 10.003 3.197 850 HB2 LEU 108 HB2 LEU 108 -3.266 8.489 5.481 851 HB3 LEU 108 HB3 LEU 108 -3.792 8.263 3.836 852 HG LEU 108 HG LEU 108 -1.766 7.350 3.093 853 HD11 LEU 108 HD11 LEU 108 0.247 7.121 4.706 854 HD12 LEU 108 HD12 LEU 108 -0.601 8.294 5.702 855 HD13 LEU 108 HD13 LEU 108 -0.068 8.758 4.077 856 HD21 LEU 108 HD21 LEU 108 -3.085 5.757 4.379 857 HD22 LEU 108 HD22 LEU 108 -2.348 6.320 5.898 858 HD23 LEU 108 HD23 LEU 108 -1.369 5.466 4.705 859 H LYS 109 H LYS 109 -3.879 11.337 5.880 860 HA LYS 109 HA LYS 109 -6.244 11.858 4.298 861 HB2 LYS 109 HB2 LYS 109 -5.279 13.076 6.936 862 HB3 LYS 109 HB3 LYS 109 -6.862 13.276 6.206 863 HG2 LYS 109 HG2 LYS 109 -6.860 10.634 6.172 864 HG3 LYS 109 HG3 LYS 109 -5.688 10.831 7.492 865 HD2 LYS 109 HD2 LYS 109 -7.500 12.472 8.447 866 HD3 LYS 109 HD3 LYS 109 -8.591 11.672 7.286 867 HE2 LYS 109 HE2 LYS 109 -8.409 9.573 8.383 868 HE3 LYS 109 HE3 LYS 109 -6.907 10.057 9.180 869 HZ1 LYS 109 HZ1 LYS 109 -8.690 10.106 10.779 870 HZ2 LYS 109 HZ2 LYS 109 -9.624 11.072 9.857 871 HZ3 LYS 109 HZ3 LYS 109 -8.213 11.643 10.505 872 H LYS 110 H LYS 110 -3.198 13.143 3.944 873 HA LYS 110 HA LYS 110 -4.117 15.944 3.509 874 HB2 LYS 110 HB2 LYS 110 -1.260 14.902 3.501 875 HB3 LYS 110 HB3 LYS 110 -1.830 16.567 3.601 876 HG2 LYS 110 HG2 LYS 110 -2.980 15.936 5.788 877 HG3 LYS 110 HG3 LYS 110 -2.120 14.372 5.723 878 HD2 LYS 110 HD2 LYS 110 -0.041 15.329 6.066 879 HD3 LYS 110 HD3 LYS 110 -0.486 16.904 5.436 880 HE2 LYS 110 HE2 LYS 110 -1.586 15.780 8.055 881 HE3 LYS 110 HE3 LYS 110 -0.146 16.803 7.933 882 HZ1 LYS 110 HZ1 LYS 110 -2.902 17.616 7.190 883 HZ2 LYS 110 HZ2 LYS 110 -1.556 18.507 6.893 884 HZ3 LYS 110 HZ3 LYS 110 -2.011 18.138 8.453 885 H ILE 111 H ILE 111 -3.502 13.084 1.669 886 HA ILE 111 HA ILE 111 -2.200 14.515 -0.530 887 HB ILE 111 HB ILE 111 -2.843 11.568 -0.425 888 HG12 ILE 111 HG12 ILE 111 -1.780 11.935 1.741 889 HG13 ILE 111 HG13 ILE 111 -0.667 11.131 0.684 890 HG21 ILE 111 HG21 ILE 111 -0.590 13.228 -1.653 891 HG22 ILE 111 HG22 ILE 111 -0.645 11.460 -1.652 892 HG23 ILE 111 HG23 ILE 111 -1.882 12.353 -2.515 893 HD11 ILE 111 HD11 ILE 111 0.570 13.227 0.289 894 HD12 ILE 111 HD12 ILE 111 -0.538 14.082 1.377 895 HD13 ILE 111 HD13 ILE 111 0.496 12.782 1.996 896 H LYS 112 H LYS 112 -2.938 13.950 -2.837 897 HA LYS 112 HA LYS 112 -5.866 14.335 -3.013 898 HB2 LYS 112 HB2 LYS 112 -3.812 15.220 -5.018 899 HB3 LYS 112 HB3 LYS 112 -5.533 15.560 -5.055 900 HG2 LYS 112 HG2 LYS 112 -3.695 16.540 -2.871 901 HG3 LYS 112 HG3 LYS 112 -4.020 17.447 -4.323 902 HD2 LYS 112 HD2 LYS 112 -6.362 17.718 -3.789 903 HD3 LYS 112 HD3 LYS 112 -6.288 16.435 -2.547 904 HE2 LYS 112 HE2 LYS 112 -4.559 17.655 -1.384 905 HE3 LYS 112 HE3 LYS 112 -4.774 19.065 -2.477 906 HZ1 LYS 112 HZ1 LYS 112 -6.119 19.603 -0.722 907 HZ2 LYS 112 HZ2 LYS 112 -6.492 18.046 -0.350 908 HZ3 LYS 112 HZ3 LYS 112 -7.236 18.813 -1.606 909 H ASP 113 H ASP 113 -6.378 13.723 -5.489 910 HA ASP 113 HA ASP 113 -5.928 10.958 -5.951 911 HB2 ASP 113 HB2 ASP 113 -7.947 12.418 -6.513 912 HB3 ASP 113 HB3 ASP 113 -7.046 12.883 -7.966 913 H GLY 114 H GLY 114 -3.374 12.682 -6.155 914 HA2 GLY 114 HA2 GLY 114 -2.106 11.160 -8.056 915 HA3 GLY 114 HA3 GLY 114 -2.602 12.547 -8.988 916 H GLU 115 H GLU 115 -1.534 12.875 -5.590 917 HA GLU 115 HA GLU 115 0.494 14.807 -6.442 918 HB2 GLU 115 HB2 GLU 115 -0.349 13.759 -3.749 919 HB3 GLU 115 HB3 GLU 115 0.832 15.040 -3.944 920 HG2 GLU 115 HG2 GLU 115 -1.777 15.462 -5.319 921 HG3 GLU 115 HG3 GLU 115 -1.812 15.409 -3.549 922 H LYS 116 H LYS 116 1.235 12.566 -7.518 923 HA LYS 116 HA LYS 116 2.998 11.073 -7.828 924 HB2 LYS 116 HB2 LYS 116 3.811 13.949 -7.486 925 HB3 LYS 116 HB3 LYS 116 5.074 12.752 -7.773 926 HG2 LYS 116 HG2 LYS 116 3.938 11.954 -9.784 927 HG3 LYS 116 HG3 LYS 116 2.607 13.082 -9.512 928 HD2 LYS 116 HD2 LYS 116 4.018 14.986 -9.990 929 HD3 LYS 116 HD3 LYS 116 5.472 14.074 -9.587 930 HE2 LYS 116 HE2 LYS 116 4.799 12.582 -11.656 931 HE3 LYS 116 HE3 LYS 116 3.880 14.008 -12.140 932 HZ1 LYS 116 HZ1 LYS 116 6.785 13.947 -11.503 933 HZ2 LYS 116 HZ2 LYS 116 5.983 15.270 -12.005 934 HZ3 LYS 116 HZ3 LYS 116 6.158 13.985 -13.026 935 H VAL 117 H VAL 117 3.047 9.618 -6.335 936 HA VAL 117 HA VAL 117 4.511 9.884 -3.841 937 HB VAL 117 HB VAL 117 2.447 8.506 -4.043 938 HG11 VAL 117 HG11 VAL 117 2.273 6.359 -4.932 939 HG12 VAL 117 HG12 VAL 117 3.300 7.101 -6.190 940 HG13 VAL 117 HG13 VAL 117 4.021 6.116 -4.967 941 HG21 VAL 117 HG21 VAL 117 3.263 6.844 -2.488 942 HG22 VAL 117 HG22 VAL 117 4.941 7.118 -3.030 943 HG23 VAL 117 HG23 VAL 117 4.055 8.413 -2.207 944 H ALA 118 H ALA 118 6.672 10.076 -4.136 945 HA ALA 118 HA ALA 118 8.101 8.299 -6.040 946 HB1 ALA 118 HB1 ALA 118 9.062 10.544 -4.203 947 HB2 ALA 118 HB2 ALA 118 10.067 9.588 -5.328 948 HB3 ALA 118 HB3 ALA 118 8.798 10.661 -5.963 949 H VAL 119 H VAL 119 8.070 6.380 -5.226 950 HA VAL 119 HA VAL 119 8.051 5.622 -2.411 951 HB VAL 119 HB VAL 119 8.236 4.008 -4.990 952 HG11 VAL 119 HG11 VAL 119 7.425 2.199 -3.928 953 HG12 VAL 119 HG12 VAL 119 8.553 2.860 -2.744 954 HG13 VAL 119 HG13 VAL 119 6.806 3.108 -2.513 955 HG21 VAL 119 HG21 VAL 119 6.262 5.364 -5.324 956 HG22 VAL 119 HG22 VAL 119 5.786 3.710 -4.982 957 HG23 VAL 119 HG23 VAL 119 5.651 4.942 -3.714 958 H ARG 120 H ARG 120 9.986 5.020 -1.322 959 HA ARG 120 HA ARG 120 12.395 4.148 -2.806 960 HB2 ARG 120 HB2 ARG 120 12.549 5.964 -0.379 961 HB3 ARG 120 HB3 ARG 120 13.821 5.481 -1.493 962 HG2 ARG 120 HG2 ARG 120 12.535 6.776 -3.299 963 HG3 ARG 120 HG3 ARG 120 11.542 7.456 -2.010 964 HD2 ARG 120 HD2 ARG 120 14.583 7.531 -2.041 965 HD3 ARG 120 HD3 ARG 120 13.572 8.769 -2.799 966 HE ARG 120 HE ARG 120 12.915 8.370 0.013 967 HH11 ARG 120 HH11 ARG 120 14.998 10.229 -2.242 968 HH12 ARG 120 HH12 ARG 120 15.566 11.296 -1.029 969 HH21 ARG 120 HH21 ARG 120 13.330 9.863 1.426 970 HH22 ARG 120 HH22 ARG 120 14.306 11.300 1.138 971 H PHE 121 H PHE 121 14.008 3.150 -0.884 972 HA PHE 121 HA PHE 121 12.490 1.135 0.609 973 HB2 PHE 121 HB2 PHE 121 15.421 1.911 0.370 974 HB3 PHE 121 HB3 PHE 121 14.881 0.751 1.560 975 HD1 PHE 121 HD1 PHE 121 13.478 -1.250 0.806 976 HD2 PHE 121 HD2 PHE 121 15.733 1.225 -1.845 977 HE1 PHE 121 HE1 PHE 121 13.397 -3.063 -0.895 978 HE2 PHE 121 HE2 PHE 121 15.714 -0.592 -3.588 979 HZ PHE 121 HZ PHE 121 14.553 -2.725 -3.111 980 H ALA 122 H ALA 122 13.373 4.112 1.175 981 HA ALA 122 HA ALA 122 13.546 5.658 2.953 982 HB1 ALA 122 HB1 ALA 122 13.292 3.506 5.037 983 HB2 ALA 122 HB2 ALA 122 12.804 5.219 5.107 984 HB3 ALA 122 HB3 ALA 122 11.856 4.021 4.168 985 H SER 123 H SER 123 15.264 6.154 4.482 986 HA SER 123 HA SER 123 17.570 4.319 4.688 987 HB2 SER 123 HB2 SER 123 17.741 7.242 3.919 988 HB3 SER 123 HB3 SER 123 19.058 6.056 3.969 989 HG SER 123 HG SER 123 18.577 5.593 1.993 990 H SER 124 H SER 124 15.246 6.005 6.239 991 HA SER 124 HA SER 124 16.551 7.470 8.286 992 HB2 SER 124 HB2 SER 124 13.842 6.083 8.096 993 HB3 SER 124 HB3 SER 124 14.344 7.148 9.425 994 HG SER 124 HG SER 124 14.353 8.820 8.173 Start of MODEL 9 1 H1 MET 1 H1 MET 1 13.986 -4.715 6.349 2 HA MET 1 HA MET 1 13.969 -3.687 4.078 3 HB2 MET 1 HB2 MET 1 13.070 -6.152 3.283 4 HB3 MET 1 HB3 MET 1 11.561 -5.246 3.341 5 HG2 MET 1 HG2 MET 1 12.249 -4.724 1.212 6 HG3 MET 1 HG3 MET 1 13.003 -3.384 2.078 7 HE1 MET 1 HE1 MET 1 14.788 -7.246 0.411 8 HE2 MET 1 HE2 MET 1 13.153 -6.893 0.971 9 HE3 MET 1 HE3 MET 1 13.685 -6.252 -0.584 10 H ARG 2 H ARG 2 12.983 -1.615 4.453 11 HA ARG 2 HA ARG 2 10.258 -1.607 5.370 12 HB2 ARG 2 HB2 ARG 2 12.641 -0.372 6.431 13 HB3 ARG 2 HB3 ARG 2 11.896 0.880 5.434 14 HG2 ARG 2 HG2 ARG 2 9.809 0.555 6.499 15 HG3 ARG 2 HG3 ARG 2 10.408 -0.837 7.407 16 HD2 ARG 2 HD2 ARG 2 12.099 0.688 8.529 17 HD3 ARG 2 HD3 ARG 2 11.314 2.064 7.760 18 HE ARG 2 HE ARG 2 9.759 2.035 9.431 19 HH11 ARG 2 HH11 ARG 2 11.171 -1.298 9.357 20 HH12 ARG 2 HH12 ARG 2 10.034 -1.869 10.508 21 HH21 ARG 2 HH21 ARG 2 8.522 1.251 11.170 22 HH22 ARG 2 HH22 ARG 2 8.741 -0.416 11.710 23 H VAL 3 H VAL 3 9.334 0.579 4.322 24 HA VAL 3 HA VAL 3 10.632 1.528 1.932 25 HB VAL 3 HB VAL 3 7.881 0.265 1.910 26 HG11 VAL 3 HG11 VAL 3 7.506 0.994 -0.354 27 HG12 VAL 3 HG12 VAL 3 7.720 2.422 0.663 28 HG13 VAL 3 HG13 VAL 3 9.041 1.863 -0.389 29 HG21 VAL 3 HG21 VAL 3 10.472 -0.292 0.467 30 HG22 VAL 3 HG22 VAL 3 9.433 -1.345 1.489 31 HG23 VAL 3 HG23 VAL 3 8.910 -0.909 -0.141 32 H GLU 4 H GLU 4 9.967 3.731 1.561 33 HA GLU 4 HA GLU 4 8.098 4.975 3.499 34 HB2 GLU 4 HB2 GLU 4 10.209 5.615 4.279 35 HB3 GLU 4 HB3 GLU 4 10.891 5.783 2.648 36 HG2 GLU 4 HG2 GLU 4 9.616 7.835 2.312 37 HG3 GLU 4 HG3 GLU 4 8.780 7.610 3.854 38 H LEU 5 H LEU 5 6.836 6.598 2.598 39 HA LEU 5 HA LEU 5 6.747 6.712 -0.387 40 HB2 LEU 5 HB2 LEU 5 4.447 6.708 1.609 41 HB3 LEU 5 HB3 LEU 5 4.303 6.900 -0.110 42 HG LEU 5 HG LEU 5 5.019 4.379 1.424 43 HD11 LEU 5 HD11 LEU 5 2.829 5.000 -0.611 44 HD12 LEU 5 HD12 LEU 5 2.614 5.082 1.146 45 HD13 LEU 5 HD13 LEU 5 2.966 3.534 0.367 46 HD21 LEU 5 HD21 LEU 5 5.112 4.846 -1.573 47 HD22 LEU 5 HD22 LEU 5 5.125 3.235 -0.811 48 HD23 LEU 5 HD23 LEU 5 6.468 4.347 -0.542 49 H LEU 6 H LEU 6 7.409 8.745 -0.876 50 HA LEU 6 HA LEU 6 6.650 11.006 0.928 51 HB2 LEU 6 HB2 LEU 6 9.014 10.333 -0.633 52 HB3 LEU 6 HB3 LEU 6 8.366 11.845 -1.231 53 HG LEU 6 HG LEU 6 8.861 11.358 1.733 54 HD11 LEU 6 HD11 LEU 6 10.598 12.888 -0.275 55 HD12 LEU 6 HD12 LEU 6 11.027 11.346 0.480 56 HD13 LEU 6 HD13 LEU 6 10.862 12.795 1.474 57 HD21 LEU 6 HD21 LEU 6 8.613 13.762 1.941 58 HD22 LEU 6 HD22 LEU 6 7.187 13.185 1.062 59 HD23 LEU 6 HD23 LEU 6 8.509 13.951 0.183 60 H PHE 7 H PHE 7 5.000 12.293 0.273 61 HA PHE 7 HA PHE 7 4.131 12.186 -2.588 62 HB2 PHE 7 HB2 PHE 7 2.555 13.119 -0.205 63 HB3 PHE 7 HB3 PHE 7 1.948 12.737 -1.802 64 HD1 PHE 7 HD1 PHE 7 3.084 11.360 1.460 65 HD2 PHE 7 HD2 PHE 7 1.326 10.456 -2.318 66 HE1 PHE 7 HE1 PHE 7 2.345 9.211 2.393 67 HE2 PHE 7 HE2 PHE 7 0.567 8.269 -1.449 68 HZ PHE 7 HZ PHE 7 1.074 7.628 0.938 69 H GLU 8 H GLU 8 3.237 14.322 -3.287 70 HA GLU 8 HA GLU 8 4.857 16.588 -2.756 71 HB2 GLU 8 HB2 GLU 8 2.012 16.329 -3.789 72 HB3 GLU 8 HB3 GLU 8 2.948 17.812 -3.898 73 HG2 GLU 8 HG2 GLU 8 4.129 15.254 -5.054 74 HG3 GLU 8 HG3 GLU 8 2.831 16.062 -5.903 75 H SER 9 H SER 9 2.124 15.322 -0.951 76 HA SER 9 HA SER 9 1.958 17.888 0.615 77 HB2 SER 9 HB2 SER 9 -0.190 15.958 -0.253 78 HB3 SER 9 HB3 SER 9 -0.439 17.346 0.835 79 HG SER 9 HG SER 9 -0.445 17.377 -1.828 80 H GLY 10 H GLY 10 3.263 14.986 1.087 81 HA2 GLY 10 HA2 GLY 10 3.477 15.151 3.811 82 HA3 GLY 10 HA3 GLY 10 2.048 14.103 3.563 83 H LYS 11 H LYS 11 3.538 12.542 4.742 84 HA LYS 11 HA LYS 11 4.624 10.783 2.741 85 HB2 LYS 11 HB2 LYS 11 6.883 10.550 3.625 86 HB3 LYS 11 HB3 LYS 11 6.606 12.161 2.962 87 HG2 LYS 11 HG2 LYS 11 6.340 13.102 5.220 88 HG3 LYS 11 HG3 LYS 11 6.440 11.472 5.895 89 HD2 LYS 11 HD2 LYS 11 8.784 11.325 4.819 90 HD3 LYS 11 HD3 LYS 11 8.639 13.057 4.520 91 HE2 LYS 11 HE2 LYS 11 9.865 12.536 6.596 92 HE3 LYS 11 HE3 LYS 11 8.418 13.505 6.910 93 HZ1 LYS 11 HZ1 LYS 11 8.875 11.542 8.406 94 HZ2 LYS 11 HZ2 LYS 11 8.369 10.581 7.165 95 HZ3 LYS 11 HZ3 LYS 11 7.325 11.663 7.816 96 H CYS 12 H CYS 12 5.042 8.657 3.553 97 HA CYS 12 HA CYS 12 4.430 8.189 6.384 98 HB2 CYS 12 HB2 CYS 12 2.653 6.668 6.032 99 HB3 CYS 12 HB3 CYS 12 2.279 8.042 5.024 100 HG CYS 12 HG CYS 12 1.590 5.741 3.961 101 H VAL 13 H VAL 13 4.563 5.629 6.655 102 HA VAL 13 HA VAL 13 6.950 4.621 5.202 103 HB VAL 13 HB VAL 13 6.810 4.631 8.235 104 HG11 VAL 13 HG11 VAL 13 9.083 3.847 6.359 105 HG12 VAL 13 HG12 VAL 13 9.126 3.823 8.135 106 HG13 VAL 13 HG13 VAL 13 8.065 2.707 7.263 107 HG21 VAL 13 HG21 VAL 13 8.559 6.349 6.436 108 HG22 VAL 13 HG22 VAL 13 7.286 6.918 7.548 109 HG23 VAL 13 HG23 VAL 13 8.742 6.182 8.197 110 H ILE 14 H ILE 14 6.807 2.407 4.838 111 HA ILE 14 HA ILE 14 4.578 0.976 6.087 112 HB ILE 14 HB ILE 14 3.904 0.084 3.990 113 HG12 ILE 14 HG12 ILE 14 6.063 1.801 2.694 114 HG13 ILE 14 HG13 ILE 14 5.958 0.039 2.749 115 HG21 ILE 14 HG21 ILE 14 2.974 2.319 4.803 116 HG22 ILE 14 HG22 ILE 14 4.027 3.106 3.617 117 HG23 ILE 14 HG23 ILE 14 2.752 1.992 3.086 118 HD11 ILE 14 HD11 ILE 14 4.133 1.868 1.189 119 HD12 ILE 14 HD12 ILE 14 5.350 0.766 0.548 120 HD13 ILE 14 HD13 ILE 14 3.916 0.111 1.345 121 H ASP 15 H ASP 15 5.227 -0.960 6.895 122 HA ASP 15 HA ASP 15 8.048 -1.829 6.452 123 HB2 ASP 15 HB2 ASP 15 7.107 -1.298 8.742 124 HB3 ASP 15 HB3 ASP 15 6.043 -2.686 8.580 125 H LEU 16 H LEU 16 8.323 -3.565 4.967 126 HA LEU 16 HA LEU 16 5.893 -5.199 4.397 127 HB2 LEU 16 HB2 LEU 16 7.932 -4.386 2.351 128 HB3 LEU 16 HB3 LEU 16 6.307 -5.007 2.096 129 HG LEU 16 HG LEU 16 7.007 -2.202 3.144 130 HD11 LEU 16 HD11 LEU 16 6.336 -1.474 0.920 131 HD12 LEU 16 HD12 LEU 16 5.905 -3.149 0.487 132 HD13 LEU 16 HD13 LEU 16 7.612 -2.682 0.797 133 HD21 LEU 16 HD21 LEU 16 4.813 -2.846 3.968 134 HD22 LEU 16 HD22 LEU 16 4.392 -3.547 2.387 135 HD23 LEU 16 HD23 LEU 16 4.569 -1.767 2.604 136 H ASN 17 H ASN 17 6.265 -7.363 4.161 137 HA ASN 17 HA ASN 17 8.982 -8.212 5.030 138 HB2 ASN 17 HB2 ASN 17 6.968 -8.848 6.389 139 HB3 ASN 17 HB3 ASN 17 6.488 -9.893 5.074 140 HD21 ASN 17 HD21 ASN 17 9.545 -9.177 6.913 141 HD22 ASN 17 HD22 ASN 17 10.068 -10.844 6.979 142 H GLU 18 H GLU 18 10.313 -8.689 3.523 143 HA GLU 18 HA GLU 18 10.141 -9.568 0.922 144 HB2 GLU 18 HB2 GLU 18 12.586 -10.051 1.248 145 HB3 GLU 18 HB3 GLU 18 12.031 -8.446 1.760 146 HG2 GLU 18 HG2 GLU 18 11.937 -8.994 3.991 147 HG3 GLU 18 HG3 GLU 18 11.981 -10.731 3.695 148 H GLU 19 H GLU 19 9.150 -11.656 3.350 149 HA GLU 19 HA GLU 19 10.188 -14.115 2.087 150 HB2 GLU 19 HB2 GLU 19 7.947 -13.584 4.072 151 HB3 GLU 19 HB3 GLU 19 8.361 -15.178 3.458 152 HG2 GLU 19 HG2 GLU 19 10.225 -13.360 5.062 153 HG3 GLU 19 HG3 GLU 19 9.343 -14.747 5.686 154 H TYR 20 H TYR 20 7.346 -11.960 2.056 155 HA TYR 20 HA TYR 20 5.745 -13.506 0.268 156 HB2 TYR 20 HB2 TYR 20 5.702 -10.543 0.914 157 HB3 TYR 20 HB3 TYR 20 4.410 -11.423 0.122 158 HD1 TYR 20 HD1 TYR 20 3.680 -13.684 1.612 159 HD2 TYR 20 HD2 TYR 20 5.261 -9.991 3.141 160 HE1 TYR 20 HE1 TYR 20 2.688 -14.184 3.818 161 HE2 TYR 20 HE2 TYR 20 4.347 -10.498 5.373 162 HH TYR 20 HH TYR 20 3.132 -12.073 6.670 163 H GLU 21 H GLU 21 5.405 -13.353 -1.871 164 HA GLU 21 HA GLU 21 7.674 -13.209 -3.543 165 HB2 GLU 21 HB2 GLU 21 5.653 -14.532 -4.101 166 HB3 GLU 21 HB3 GLU 21 4.696 -13.065 -4.184 167 HG2 GLU 21 HG2 GLU 21 5.019 -13.602 -6.404 168 HG3 GLU 21 HG3 GLU 21 6.210 -12.346 -6.152 169 H VAL 22 H VAL 22 4.888 -10.944 -3.307 170 HA VAL 22 HA VAL 22 5.914 -9.106 -5.201 171 HB VAL 22 HB VAL 22 4.562 -7.974 -2.766 172 HG11 VAL 22 HG11 VAL 22 4.724 -6.527 -4.592 173 HG12 VAL 22 HG12 VAL 22 4.011 -7.692 -5.723 174 HG13 VAL 22 HG13 VAL 22 3.018 -6.931 -4.454 175 HG21 VAL 22 HG21 VAL 22 2.323 -8.788 -3.252 176 HG22 VAL 22 HG22 VAL 22 3.071 -10.136 -4.159 177 HG23 VAL 22 HG23 VAL 22 3.472 -9.837 -2.432 178 H VAL 23 H VAL 23 6.724 -9.422 -1.694 179 HA VAL 23 HA VAL 23 7.635 -6.771 -1.724 180 HB VAL 23 HB VAL 23 8.248 -8.990 0.315 181 HG11 VAL 23 HG11 VAL 23 8.781 -7.137 1.869 182 HG12 VAL 23 HG12 VAL 23 9.938 -7.251 0.560 183 HG13 VAL 23 HG13 VAL 23 8.691 -5.987 0.549 184 HG21 VAL 23 HG21 VAL 23 5.827 -8.428 0.104 185 HG22 VAL 23 HG22 VAL 23 6.471 -7.854 1.634 186 HG23 VAL 23 HG23 VAL 23 6.198 -6.705 0.307 187 H LYS 24 H LYS 24 9.175 -9.952 -2.317 188 HA LYS 24 HA LYS 24 11.864 -9.039 -2.606 189 HB2 LYS 24 HB2 LYS 24 10.393 -11.240 -4.101 190 HB3 LYS 24 HB3 LYS 24 12.141 -11.050 -3.992 191 HG2 LYS 24 HG2 LYS 24 12.115 -11.527 -1.623 192 HG3 LYS 24 HG3 LYS 24 10.341 -11.525 -1.557 193 HD2 LYS 24 HD2 LYS 24 10.205 -13.394 -3.084 194 HD3 LYS 24 HD3 LYS 24 11.959 -13.390 -3.305 195 HE2 LYS 24 HE2 LYS 24 12.103 -13.784 -0.757 196 HE3 LYS 24 HE3 LYS 24 10.375 -14.147 -0.821 197 HZ1 LYS 24 HZ1 LYS 24 11.818 -16.117 -1.008 198 HZ2 LYS 24 HZ2 LYS 24 12.471 -15.533 -2.382 199 HZ3 LYS 24 HZ3 LYS 24 10.881 -15.939 -2.364 200 H LEU 25 H LEU 25 9.093 -9.163 -4.963 201 HA LEU 25 HA LEU 25 10.660 -8.607 -7.279 202 HB2 LEU 25 HB2 LEU 25 7.728 -8.379 -6.568 203 HB3 LEU 25 HB3 LEU 25 8.347 -7.997 -8.155 204 HG LEU 25 HG LEU 25 7.311 -10.350 -7.387 205 HD11 LEU 25 HD11 LEU 25 7.712 -9.599 -9.700 206 HD12 LEU 25 HD12 LEU 25 8.227 -11.282 -9.472 207 HD13 LEU 25 HD13 LEU 25 9.445 -9.973 -9.516 208 HD21 LEU 25 HD21 LEU 25 10.271 -10.982 -7.389 209 HD22 LEU 25 HD22 LEU 25 8.891 -12.122 -7.332 210 HD23 LEU 25 HD23 LEU 25 9.161 -11.037 -6.007 211 H LEU 26 H LEU 26 8.889 -6.681 -4.942 212 HA LEU 26 HA LEU 26 8.735 -4.211 -6.219 213 HB2 LEU 26 HB2 LEU 26 8.478 -5.386 -3.533 214 HB3 LEU 26 HB3 LEU 26 9.144 -3.811 -3.411 215 HG LEU 26 HG LEU 26 6.569 -4.291 -3.269 216 HD11 LEU 26 HD11 LEU 26 5.965 -2.114 -4.563 217 HD12 LEU 26 HD12 LEU 26 7.673 -2.045 -5.029 218 HD13 LEU 26 HD13 LEU 26 7.208 -1.916 -3.311 219 HD21 LEU 26 HD21 LEU 26 5.302 -4.324 -5.132 220 HD22 LEU 26 HD22 LEU 26 6.555 -5.583 -5.276 221 HD23 LEU 26 HD23 LEU 26 6.704 -4.059 -6.198 222 H LYS 27 H LYS 27 11.379 -5.665 -4.253 223 HA LYS 27 HA LYS 27 13.060 -3.475 -3.926 224 HB2 LYS 27 HB2 LYS 27 13.482 -5.701 -2.952 225 HB3 LYS 27 HB3 LYS 27 13.785 -6.366 -4.550 226 HG2 LYS 27 HG2 LYS 27 15.650 -4.175 -4.111 227 HG3 LYS 27 HG3 LYS 27 15.648 -5.232 -2.721 228 HD2 LYS 27 HD2 LYS 27 17.345 -6.031 -4.204 229 HD3 LYS 27 HD3 LYS 27 16.033 -7.205 -4.253 230 HE2 LYS 27 HE2 LYS 27 15.200 -6.049 -6.354 231 HE3 LYS 27 HE3 LYS 27 16.678 -5.070 -6.323 232 HZ1 LYS 27 HZ1 LYS 27 17.925 -7.191 -6.485 233 HZ2 LYS 27 HZ2 LYS 27 16.918 -6.968 -7.778 234 HZ3 LYS 27 HZ3 LYS 27 16.516 -8.027 -6.636 235 H GLU 28 H GLU 28 12.468 -5.407 -6.837 236 HA GLU 28 HA GLU 28 14.821 -4.600 -8.267 237 HB2 GLU 28 HB2 GLU 28 12.187 -5.573 -9.423 238 HB3 GLU 28 HB3 GLU 28 13.802 -5.756 -10.093 239 HG2 GLU 28 HG2 GLU 28 14.338 -7.136 -7.940 240 HG3 GLU 28 HG3 GLU 28 12.614 -7.162 -7.647 241 H LYS 29 H LYS 29 11.729 -3.074 -7.707 242 HA LYS 29 HA LYS 29 12.144 -1.220 -10.011 243 HB2 LYS 29 HB2 LYS 29 9.548 -1.752 -8.544 244 HB3 LYS 29 HB3 LYS 29 9.786 -0.949 -10.096 245 HG2 LYS 29 HG2 LYS 29 10.120 -3.930 -9.524 246 HG3 LYS 29 HG3 LYS 29 8.789 -3.171 -10.371 247 HD2 LYS 29 HD2 LYS 29 10.382 -2.406 -12.162 248 HD3 LYS 29 HD3 LYS 29 11.669 -3.322 -11.343 249 HE2 LYS 29 HE2 LYS 29 10.190 -5.375 -11.481 250 HE3 LYS 29 HE3 LYS 29 9.052 -4.429 -12.461 251 HZ1 LYS 29 HZ1 LYS 29 10.668 -4.223 -14.142 252 HZ2 LYS 29 HZ2 LYS 29 10.656 -5.814 -13.726 253 HZ3 LYS 29 HZ3 LYS 29 11.883 -4.816 -13.232 254 H ILE 30 H ILE 30 12.390 -1.374 -6.602 255 HA ILE 30 HA ILE 30 11.480 1.380 -6.150 256 HB ILE 30 HB ILE 30 12.678 -0.743 -4.359 257 HG12 ILE 30 HG12 ILE 30 9.937 0.580 -4.196 258 HG13 ILE 30 HG13 ILE 30 10.204 -0.879 -5.100 259 HG21 ILE 30 HG21 ILE 30 13.379 1.575 -3.561 260 HG22 ILE 30 HG22 ILE 30 11.652 1.979 -3.408 261 HG23 ILE 30 HG23 ILE 30 12.382 0.704 -2.425 262 HD11 ILE 30 HD11 ILE 30 10.627 -0.568 -2.098 263 HD12 ILE 30 HD12 ILE 30 9.353 -1.465 -2.908 264 HD13 ILE 30 HD13 ILE 30 11.029 -2.027 -3.031 265 HA PRO 31 HA PRO 31 11.999 3.224 -5.139 266 HB2 PRO 31 HB2 PRO 31 12.891 5.713 -5.908 267 HB3 PRO 31 HB3 PRO 31 13.281 4.909 -4.363 268 HG2 PRO 31 HG2 PRO 31 14.980 5.221 -6.783 269 HG3 PRO 31 HG3 PRO 31 15.433 5.178 -5.038 270 HD2 PRO 31 HD2 PRO 31 15.666 3.038 -6.855 271 HD3 PRO 31 HD3 PRO 31 15.612 2.880 -5.075 272 H PHE 32 H PHE 32 10.227 4.239 -6.195 273 HA PHE 32 HA PHE 32 10.411 4.807 -8.992 274 HB2 PHE 32 HB2 PHE 32 8.450 3.645 -9.705 275 HB3 PHE 32 HB3 PHE 32 9.699 2.532 -9.248 276 HD1 PHE 32 HD1 PHE 32 9.486 1.396 -6.947 277 HD2 PHE 32 HD2 PHE 32 6.252 3.388 -8.914 278 HE1 PHE 32 HE1 PHE 32 7.870 0.036 -5.647 279 HE2 PHE 32 HE2 PHE 32 4.613 2.095 -7.591 280 HZ PHE 32 HZ PHE 32 5.419 0.372 -5.955 281 H GLU 33 H GLU 33 8.230 6.006 -9.702 282 HA GLU 33 HA GLU 33 6.951 7.224 -7.324 283 HB2 GLU 33 HB2 GLU 33 7.497 8.390 -10.053 284 HB3 GLU 33 HB3 GLU 33 6.381 9.105 -8.882 285 HG2 GLU 33 HG2 GLU 33 8.217 9.528 -7.361 286 HG3 GLU 33 HG3 GLU 33 9.363 8.685 -8.405 287 H SER 34 H SER 34 4.606 7.762 -7.838 288 HA SER 34 HA SER 34 3.417 6.488 -10.175 289 HB2 SER 34 HB2 SER 34 3.783 4.804 -8.107 290 HB3 SER 34 HB3 SER 34 2.290 5.580 -7.573 291 HG SER 34 HG SER 34 2.873 4.283 -10.062 292 H VAL 35 H VAL 35 1.145 6.895 -10.235 293 HA VAL 35 HA VAL 35 0.385 9.542 -9.243 294 HB VAL 35 HB VAL 35 -1.537 7.568 -10.546 295 HG11 VAL 35 HG11 VAL 35 -2.452 9.691 -9.687 296 HG12 VAL 35 HG12 VAL 35 -1.284 10.604 -10.671 297 HG13 VAL 35 HG13 VAL 35 -2.549 9.628 -11.449 298 HG21 VAL 35 HG21 VAL 35 0.344 7.432 -12.015 299 HG22 VAL 35 HG22 VAL 35 -0.891 8.442 -12.774 300 HG23 VAL 35 HG23 VAL 35 0.537 9.208 -12.026 301 H VAL 36 H VAL 36 -0.750 9.819 -7.437 302 HA VAL 36 HA VAL 36 -1.600 7.619 -5.663 303 HB VAL 36 HB VAL 36 -1.911 10.665 -5.468 304 HG11 VAL 36 HG11 VAL 36 -2.586 10.473 -3.329 305 HG12 VAL 36 HG12 VAL 36 -3.253 8.972 -3.925 306 HG13 VAL 36 HG13 VAL 36 -1.689 8.990 -3.035 307 HG21 VAL 36 HG21 VAL 36 0.287 8.948 -4.342 308 HG22 VAL 36 HG22 VAL 36 0.500 10.181 -5.608 309 HG23 VAL 36 HG23 VAL 36 0.031 10.672 -3.982 310 H ASN 37 H ASN 37 -3.526 6.687 -6.452 311 HA ASN 37 HA ASN 37 -5.663 8.583 -7.405 312 HB2 ASN 37 HB2 ASN 37 -5.469 5.563 -7.663 313 HB3 ASN 37 HB3 ASN 37 -6.887 6.533 -8.042 314 HD21 ASN 37 HD21 ASN 37 -3.884 5.360 -9.314 315 HD22 ASN 37 HD22 ASN 37 -3.926 6.258 -10.818 316 H THR 38 H THR 38 -7.601 8.513 -6.152 317 HA THR 38 HA THR 38 -7.343 7.244 -3.457 318 HB THR 38 HB THR 38 -8.592 9.245 -2.623 319 HG1 THR 38 HG1 THR 38 -8.123 10.141 -5.272 320 HG21 THR 38 HG21 THR 38 -5.875 9.825 -3.887 321 HG22 THR 38 HG22 THR 38 -6.199 9.109 -2.290 322 HG23 THR 38 HG23 THR 38 -6.658 10.784 -2.611 323 H TRP 39 H TRP 39 -9.306 6.486 -2.482 324 HA TRP 39 HA TRP 39 -11.765 6.454 -4.077 325 HB2 TRP 39 HB2 TRP 39 -10.409 4.553 -4.932 326 HB3 TRP 39 HB3 TRP 39 -10.347 3.868 -3.333 327 HD1 TRP 39 HD1 TRP 39 -12.938 4.836 -6.014 328 HE1 TRP 39 HE1 TRP 39 -14.536 2.882 -6.325 329 HE3 TRP 39 HE3 TRP 39 -11.404 1.876 -2.148 330 HZ2 TRP 39 HZ2 TRP 39 -15.216 0.421 -4.996 331 HZ3 TRP 39 HZ3 TRP 39 -12.471 -0.361 -1.797 332 HH2 TRP 39 HH2 TRP 39 -14.332 -1.098 -3.233 333 H GLY 40 H GLY 40 -12.691 7.599 -2.425 334 HA2 GLY 40 HA2 GLY 40 -13.875 7.859 -0.465 335 HA3 GLY 40 HA3 GLY 40 -13.593 6.183 -0.104 336 H GLU 41 H GLU 41 -11.560 5.611 0.895 337 HA GLU 41 HA GLU 41 -10.106 7.684 2.380 338 HB2 GLU 41 HB2 GLU 41 -11.910 5.669 3.777 339 HB3 GLU 41 HB3 GLU 41 -10.624 6.585 4.593 340 HG2 GLU 41 HG2 GLU 41 -11.680 8.707 3.850 341 HG3 GLU 41 HG3 GLU 41 -12.975 7.790 3.102 342 H GLU 42 H GLU 42 -9.423 5.981 0.236 343 HA GLU 42 HA GLU 42 -7.174 4.766 1.568 344 HB2 GLU 42 HB2 GLU 42 -7.236 2.686 0.478 345 HB3 GLU 42 HB3 GLU 42 -8.950 2.972 0.749 346 HG2 GLU 42 HG2 GLU 42 -8.995 3.973 -1.615 347 HG3 GLU 42 HG3 GLU 42 -7.350 3.385 -1.817 348 H ILE 43 H ILE 43 -5.388 4.472 0.080 349 HA ILE 43 HA ILE 43 -5.428 6.146 -2.367 350 HB ILE 43 HB ILE 43 -3.310 5.981 -0.196 351 HG12 ILE 43 HG12 ILE 43 -4.169 8.516 -1.613 352 HG13 ILE 43 HG13 ILE 43 -5.222 7.839 -0.370 353 HG21 ILE 43 HG21 ILE 43 -2.927 6.928 -3.069 354 HG22 ILE 43 HG22 ILE 43 -1.799 7.271 -1.744 355 HG23 ILE 43 HG23 ILE 43 -2.071 5.606 -2.259 356 HD11 ILE 43 HD11 ILE 43 -3.796 9.459 0.653 357 HD12 ILE 43 HD12 ILE 43 -3.337 7.844 1.230 358 HD13 ILE 43 HD13 ILE 43 -2.328 8.681 0.023 359 H TYR 44 H TYR 44 -4.491 5.089 -4.068 360 HA TYR 44 HA TYR 44 -2.995 2.579 -3.658 361 HB2 TYR 44 HB2 TYR 44 -4.225 1.530 -5.488 362 HB3 TYR 44 HB3 TYR 44 -5.222 1.760 -4.067 363 HD1 TYR 44 HD1 TYR 44 -6.765 4.079 -4.244 364 HD2 TYR 44 HD2 TYR 44 -5.182 1.797 -7.539 365 HE1 TYR 44 HE1 TYR 44 -8.464 5.038 -5.735 366 HE2 TYR 44 HE2 TYR 44 -6.875 2.809 -9.050 367 HH TYR 44 HH TYR 44 -8.874 4.060 -9.161 368 H PHE 45 H PHE 45 -1.810 2.076 -5.642 369 HA PHE 45 HA PHE 45 -1.405 4.217 -7.571 370 HB2 PHE 45 HB2 PHE 45 1.107 3.904 -7.184 371 HB3 PHE 45 HB3 PHE 45 0.246 5.114 -6.284 372 HD1 PHE 45 HD1 PHE 45 -0.277 4.518 -3.765 373 HD2 PHE 45 HD2 PHE 45 2.322 2.142 -6.254 374 HE1 PHE 45 HE1 PHE 45 0.767 3.469 -1.702 375 HE2 PHE 45 HE2 PHE 45 3.487 1.285 -4.222 376 HZ PHE 45 HZ PHE 45 2.729 1.998 -1.966 377 H SER 46 H SER 46 -0.595 3.340 -9.522 378 HA SER 46 HA SER 46 -0.968 0.490 -9.873 379 HB2 SER 46 HB2 SER 46 0.002 2.680 -11.754 380 HB3 SER 46 HB3 SER 46 -0.474 1.040 -12.220 381 HG SER 46 HG SER 46 -2.267 2.131 -12.518 382 H THR 47 H THR 47 0.702 -0.621 -8.736 383 HA THR 47 HA THR 47 3.407 0.218 -8.814 384 HB THR 47 HB THR 47 3.914 -2.034 -7.925 385 HG1 THR 47 HG1 THR 47 2.119 -3.101 -9.150 386 HG21 THR 47 HG21 THR 47 3.113 -0.281 -6.378 387 HG22 THR 47 HG22 THR 47 2.637 -1.911 -5.876 388 HG23 THR 47 HG23 THR 47 1.438 -0.828 -6.610 389 HA PRO 48 HA PRO 48 4.757 -1.310 -12.759 390 HB2 PRO 48 HB2 PRO 48 7.386 -1.874 -12.124 391 HB3 PRO 48 HB3 PRO 48 6.737 -0.244 -12.459 392 HG2 PRO 48 HG2 PRO 48 7.343 -1.534 -9.807 393 HG3 PRO 48 HG3 PRO 48 7.597 0.175 -10.313 394 HD2 PRO 48 HD2 PRO 48 5.505 -0.708 -8.794 395 HD3 PRO 48 HD3 PRO 48 5.374 0.685 -9.889 396 H VAL 49 H VAL 49 5.452 -3.196 -9.830 397 HA VAL 49 HA VAL 49 5.741 -5.751 -11.199 398 HB VAL 49 HB VAL 49 6.758 -5.210 -8.978 399 HG11 VAL 49 HG11 VAL 49 3.855 -4.999 -8.085 400 HG12 VAL 49 HG12 VAL 49 5.111 -5.557 -7.014 401 HG13 VAL 49 HG13 VAL 49 5.258 -3.942 -7.750 402 HG21 VAL 49 HG21 VAL 49 6.419 -7.560 -9.563 403 HG22 VAL 49 HG22 VAL 49 6.244 -7.265 -7.825 404 HG23 VAL 49 HG23 VAL 49 4.797 -7.510 -8.800 405 H ASN 50 H ASN 50 4.238 -7.487 -11.119 406 HA ASN 50 HA ASN 50 1.453 -6.880 -10.536 407 HB2 ASN 50 HB2 ASN 50 0.844 -7.518 -12.938 408 HB3 ASN 50 HB3 ASN 50 1.451 -5.879 -12.620 409 HD21 ASN 50 HD21 ASN 50 3.382 -5.161 -13.683 410 HD22 ASN 50 HD22 ASN 50 4.038 -6.158 -14.947 411 H VAL 51 H VAL 51 2.542 -8.684 -9.042 412 HA VAL 51 HA VAL 51 2.203 -11.344 -10.162 413 HB VAL 51 HB VAL 51 3.072 -12.025 -8.050 414 HG11 VAL 51 HG11 VAL 51 5.305 -11.195 -8.063 415 HG12 VAL 51 HG12 VAL 51 4.736 -11.203 -9.746 416 HG13 VAL 51 HG13 VAL 51 4.808 -9.682 -8.820 417 HG21 VAL 51 HG21 VAL 51 2.083 -10.574 -6.444 418 HG22 VAL 51 HG22 VAL 51 3.831 -10.475 -6.279 419 HG23 VAL 51 HG23 VAL 51 2.944 -9.164 -7.097 420 H GLN 52 H GLN 52 0.803 -12.816 -8.780 421 HA GLN 52 HA GLN 52 -1.220 -11.388 -7.234 422 HB2 GLN 52 HB2 GLN 52 -3.003 -12.832 -8.207 423 HB3 GLN 52 HB3 GLN 52 -2.283 -11.445 -9.049 424 HG2 GLN 52 HG2 GLN 52 -2.807 -13.197 -10.515 425 HG3 GLN 52 HG3 GLN 52 -1.193 -12.515 -10.527 426 HE21 GLN 52 HE21 GLN 52 -2.068 -15.034 -8.077 427 HE22 GLN 52 HE22 GLN 52 -0.949 -16.188 -8.727 428 H LYS 53 H LYS 53 1.128 -13.307 -6.672 429 HA LYS 53 HA LYS 53 -0.123 -15.608 -5.386 430 HB2 LYS 53 HB2 LYS 53 2.240 -15.471 -6.281 431 HB3 LYS 53 HB3 LYS 53 2.660 -14.420 -4.931 432 HG2 LYS 53 HG2 LYS 53 2.336 -16.148 -3.320 433 HG3 LYS 53 HG3 LYS 53 1.396 -17.147 -4.444 434 HD2 LYS 53 HD2 LYS 53 3.369 -17.541 -5.837 435 HD3 LYS 53 HD3 LYS 53 4.339 -16.465 -4.816 436 HE2 LYS 53 HE2 LYS 53 3.863 -18.033 -2.885 437 HE3 LYS 53 HE3 LYS 53 3.111 -19.141 -4.031 438 HZ1 LYS 53 HZ1 LYS 53 5.516 -19.591 -3.607 439 HZ2 LYS 53 HZ2 LYS 53 5.888 -18.149 -4.302 440 HZ3 LYS 53 HZ3 LYS 53 5.192 -19.317 -5.182 441 H MET 54 H MET 54 -1.056 -15.626 -3.329 442 HA MET 54 HA MET 54 -0.595 -13.321 -1.547 443 HB2 MET 54 HB2 MET 54 -2.940 -13.018 -1.180 444 HB3 MET 54 HB3 MET 54 -2.539 -12.780 -2.872 445 HG2 MET 54 HG2 MET 54 -3.341 -15.432 -2.837 446 HG3 MET 54 HG3 MET 54 -4.297 -14.748 -1.545 447 HE1 MET 54 HE1 MET 54 -5.728 -16.152 -3.736 448 HE2 MET 54 HE2 MET 54 -6.566 -15.213 -2.490 449 HE3 MET 54 HE3 MET 54 -7.008 -15.010 -4.203 450 H GLU 55 H GLU 55 0.580 -14.541 -0.091 451 HA GLU 55 HA GLU 55 -0.348 -17.142 0.680 452 HB2 GLU 55 HB2 GLU 55 1.982 -15.376 1.299 453 HB3 GLU 55 HB3 GLU 55 1.566 -16.528 2.542 454 HG2 GLU 55 HG2 GLU 55 2.257 -17.146 -0.357 455 HG3 GLU 55 HG3 GLU 55 3.172 -17.579 1.102 456 H ASN 56 H ASN 56 -0.617 -13.929 2.423 457 HA ASN 56 HA ASN 56 -2.327 -15.273 4.406 458 HB2 ASN 56 HB2 ASN 56 -1.593 -13.607 5.913 459 HB3 ASN 56 HB3 ASN 56 -0.193 -14.507 5.345 460 HD21 ASN 56 HD21 ASN 56 -1.076 -11.576 6.366 461 HD22 ASN 56 HD22 ASN 56 0.090 -10.605 5.433 462 HA PRO 57 HA PRO 57 -4.655 -12.043 2.049 463 HB2 PRO 57 HB2 PRO 57 -6.893 -13.505 1.306 464 HB3 PRO 57 HB3 PRO 57 -5.413 -13.301 0.321 465 HG2 PRO 57 HG2 PRO 57 -6.203 -15.641 2.052 466 HG3 PRO 57 HG3 PRO 57 -5.383 -15.635 0.448 467 HD2 PRO 57 HD2 PRO 57 -4.050 -15.952 2.849 468 HD3 PRO 57 HD3 PRO 57 -3.324 -15.212 1.390 469 H ARG 58 H ARG 58 -6.578 -10.962 2.691 470 HA ARG 58 HA ARG 58 -8.195 -12.043 4.869 471 HB2 ARG 58 HB2 ARG 58 -6.824 -9.318 5.220 472 HB3 ARG 58 HB3 ARG 58 -8.147 -9.898 6.183 473 HG2 ARG 58 HG2 ARG 58 -5.439 -11.283 6.077 474 HG3 ARG 58 HG3 ARG 58 -5.907 -10.057 7.245 475 HD2 ARG 58 HD2 ARG 58 -7.989 -11.556 7.724 476 HD3 ARG 58 HD3 ARG 58 -7.096 -12.836 6.873 477 HE ARG 58 HE ARG 58 -5.508 -11.456 8.844 478 HH11 ARG 58 HH11 ARG 58 -8.023 -14.040 8.664 479 HH12 ARG 58 HH12 ARG 58 -7.583 -14.637 10.229 480 HH21 ARG 58 HH21 ARG 58 -4.871 -12.437 10.694 481 HH22 ARG 58 HH22 ARG 58 -5.785 -13.787 11.352 482 H GLU 59 H GLU 59 -10.219 -10.973 4.993 483 HA GLU 59 HA GLU 59 -10.848 -9.080 2.771 484 HB2 GLU 59 HB2 GLU 59 -12.354 -11.417 3.978 485 HB3 GLU 59 HB3 GLU 59 -13.158 -10.201 2.956 486 HG2 GLU 59 HG2 GLU 59 -11.747 -10.663 1.089 487 HG3 GLU 59 HG3 GLU 59 -10.626 -11.622 2.046 488 H VAL 60 H VAL 60 -10.234 -8.895 5.956 489 HA VAL 60 HA VAL 60 -11.851 -6.459 6.191 490 HB VAL 60 HB VAL 60 -11.559 -8.486 8.436 491 HG11 VAL 60 HG11 VAL 60 -11.627 -6.146 9.244 492 HG12 VAL 60 HG12 VAL 60 -13.176 -5.928 8.415 493 HG13 VAL 60 HG13 VAL 60 -13.014 -7.086 9.753 494 HG21 VAL 60 HG21 VAL 60 -14.065 -8.719 8.298 495 HG22 VAL 60 HG22 VAL 60 -14.024 -7.792 6.795 496 HG23 VAL 60 HG23 VAL 60 -13.232 -9.371 6.886 497 H VAL 61 H VAL 61 -10.610 -4.843 7.329 498 HA VAL 61 HA VAL 61 -7.896 -5.588 8.217 499 HB VAL 61 HB VAL 61 -6.901 -3.841 6.789 500 HG11 VAL 61 HG11 VAL 61 -6.746 -5.103 4.756 501 HG12 VAL 61 HG12 VAL 61 -6.842 -6.248 6.099 502 HG13 VAL 61 HG13 VAL 61 -8.267 -5.946 5.083 503 HG21 VAL 61 HG21 VAL 61 -8.104 -3.037 4.772 504 HG22 VAL 61 HG22 VAL 61 -9.605 -3.729 5.402 505 HG23 VAL 61 HG23 VAL 61 -8.774 -2.423 6.283 506 H GLU 62 H GLU 62 -6.790 -3.411 8.912 507 HA GLU 62 HA GLU 62 -8.417 -2.248 11.031 508 HB2 GLU 62 HB2 GLU 62 -5.490 -2.220 10.261 509 HB3 GLU 62 HB3 GLU 62 -6.101 -1.301 11.621 510 HG2 GLU 62 HG2 GLU 62 -6.797 -4.196 11.553 511 HG3 GLU 62 HG3 GLU 62 -5.160 -3.703 11.979 512 H ILE 63 H ILE 63 -7.412 0.229 11.424 513 HA ILE 63 HA ILE 63 -7.821 1.809 8.970 514 HB ILE 63 HB ILE 63 -7.546 2.712 11.889 515 HG12 ILE 63 HG12 ILE 63 -9.939 2.256 10.100 516 HG13 ILE 63 HG13 ILE 63 -9.608 1.503 11.648 517 HG21 ILE 63 HG21 ILE 63 -6.860 4.531 10.330 518 HG22 ILE 63 HG22 ILE 63 -8.405 4.344 9.468 519 HG23 ILE 63 HG23 ILE 63 -8.348 4.935 11.141 520 HD11 ILE 63 HD11 ILE 63 -10.586 4.303 11.126 521 HD12 ILE 63 HD12 ILE 63 -11.374 3.017 12.029 522 HD13 ILE 63 HD13 ILE 63 -9.930 3.807 12.701 523 H GLY 64 H GLY 64 -5.358 0.214 10.444 524 HA2 GLY 64 HA2 GLY 64 -3.447 1.610 8.788 525 HA3 GLY 64 HA3 GLY 64 -3.019 1.387 10.515 526 H ASP 65 H ASP 65 -4.344 -0.363 7.647 527 HA ASP 65 HA ASP 65 -2.090 -2.257 7.750 528 HB2 ASP 65 HB2 ASP 65 -4.948 -2.928 7.015 529 HB3 ASP 65 HB3 ASP 65 -3.590 -3.959 6.770 530 H VAL 66 H VAL 66 -2.433 -3.304 5.486 531 HA VAL 66 HA VAL 66 -2.896 -1.484 3.276 532 HB VAL 66 HB VAL 66 -0.228 -2.460 2.940 533 HG11 VAL 66 HG11 VAL 66 -1.308 -0.126 4.633 534 HG12 VAL 66 HG12 VAL 66 0.335 -0.156 3.964 535 HG13 VAL 66 HG13 VAL 66 -1.096 -0.005 2.882 536 HG21 VAL 66 HG21 VAL 66 -0.261 -3.411 5.191 537 HG22 VAL 66 HG22 VAL 66 0.990 -2.187 4.795 538 HG23 VAL 66 HG23 VAL 66 -0.392 -1.769 5.830 539 H GLY 67 H GLY 67 -2.714 -2.653 1.148 540 HA2 GLY 67 HA2 GLY 67 -2.096 -5.479 1.275 541 HA3 GLY 67 HA3 GLY 67 -3.798 -5.124 0.923 542 H TYR 68 H TYR 68 -1.390 -6.167 -0.756 543 HA TYR 68 HA TYR 68 -1.290 -4.261 -2.946 544 HB2 TYR 68 HB2 TYR 68 0.077 -5.710 -3.994 545 HB3 TYR 68 HB3 TYR 68 0.348 -6.254 -2.353 546 HD1 TYR 68 HD1 TYR 68 -2.101 -7.981 -1.882 547 HD2 TYR 68 HD2 TYR 68 0.404 -7.551 -5.377 548 HE1 TYR 68 HE1 TYR 68 -2.948 -10.113 -2.743 549 HE2 TYR 68 HE2 TYR 68 -0.333 -9.756 -6.160 550 HH TYR 68 HH TYR 68 -2.829 -11.682 -4.413 551 H TRP 69 H TRP 69 -2.281 -4.781 -5.144 552 HA TRP 69 HA TRP 69 -4.929 -6.066 -4.882 553 HB2 TRP 69 HB2 TRP 69 -4.843 -3.520 -4.506 554 HB3 TRP 69 HB3 TRP 69 -4.598 -3.396 -6.234 555 HD1 TRP 69 HD1 TRP 69 -6.990 -5.313 -3.896 556 HE1 TRP 69 HE1 TRP 69 -9.407 -4.922 -4.578 557 HE3 TRP 69 HE3 TRP 69 -6.184 -2.510 -8.090 558 HZ2 TRP 69 HZ2 TRP 69 -10.845 -3.605 -6.708 559 HZ3 TRP 69 HZ3 TRP 69 -8.122 -1.719 -9.433 560 HH2 TRP 69 HH2 TRP 69 -10.444 -2.213 -8.713 561 HA PRO 70 HA PRO 70 -2.708 -7.566 -8.573 562 HB2 PRO 70 HB2 PRO 70 -3.781 -10.056 -8.875 563 HB3 PRO 70 HB3 PRO 70 -2.603 -9.613 -7.606 564 HG2 PRO 70 HG2 PRO 70 -5.571 -9.892 -7.272 565 HG3 PRO 70 HG3 PRO 70 -4.276 -10.460 -6.204 566 HD2 PRO 70 HD2 PRO 70 -5.673 -8.049 -5.873 567 HD3 PRO 70 HD3 PRO 70 -4.165 -8.357 -5.154 568 HA PRO 71 HA PRO 71 -6.778 -7.930 -11.045 569 HB2 PRO 71 HB2 PRO 71 -9.002 -6.558 -10.296 570 HB3 PRO 71 HB3 PRO 71 -8.653 -8.242 -9.806 571 HG2 PRO 71 HG2 PRO 71 -8.263 -5.711 -8.207 572 HG3 PRO 71 HG3 PRO 71 -8.738 -7.338 -7.570 573 HD2 PRO 71 HD2 PRO 71 -6.361 -6.470 -7.277 574 HD3 PRO 71 HD3 PRO 71 -6.797 -8.197 -7.560 575 H GLY 72 H GLY 72 -5.988 -4.861 -9.425 576 HA2 GLY 72 HA2 GLY 72 -5.930 -3.511 -12.086 577 HA3 GLY 72 HA3 GLY 72 -6.125 -2.688 -10.541 578 H LYS 73 H LYS 73 -3.812 -5.223 -10.415 579 HA LYS 73 HA LYS 73 -1.597 -5.166 -9.821 580 HB2 LYS 73 HB2 LYS 73 -1.528 -3.496 -12.360 581 HB3 LYS 73 HB3 LYS 73 -0.120 -4.251 -11.608 582 HG2 LYS 73 HG2 LYS 73 -0.936 -6.463 -12.070 583 HG3 LYS 73 HG3 LYS 73 -2.513 -5.866 -12.618 584 HD2 LYS 73 HD2 LYS 73 -0.346 -4.489 -14.038 585 HD3 LYS 73 HD3 LYS 73 -0.217 -6.228 -14.277 586 HE2 LYS 73 HE2 LYS 73 -2.809 -4.797 -14.747 587 HE3 LYS 73 HE3 LYS 73 -1.485 -4.779 -15.926 588 HZ1 LYS 73 HZ1 LYS 73 -2.751 -7.268 -14.938 589 HZ2 LYS 73 HZ2 LYS 73 -1.535 -7.134 -16.049 590 HZ3 LYS 73 HZ3 LYS 73 -3.013 -6.571 -16.387 591 H ALA 74 H ALA 74 -2.684 -3.637 -8.057 592 HA ALA 74 HA ALA 74 -1.134 -1.098 -7.996 593 HB1 ALA 74 HB1 ALA 74 -3.058 0.095 -7.162 594 HB2 ALA 74 HB2 ALA 74 -3.533 -0.733 -8.654 595 HB3 ALA 74 HB3 ALA 74 -4.023 -1.385 -7.075 596 H LEU 75 H LEU 75 -1.336 -0.110 -5.711 597 HA LEU 75 HA LEU 75 -1.091 -2.139 -3.563 598 HB2 LEU 75 HB2 LEU 75 0.426 0.210 -4.190 599 HB3 LEU 75 HB3 LEU 75 -0.621 0.718 -2.888 600 HG LEU 75 HG LEU 75 1.416 -0.035 -1.957 601 HD11 LEU 75 HD11 LEU 75 -0.570 -2.285 -1.488 602 HD12 LEU 75 HD12 LEU 75 -0.560 -0.708 -0.670 603 HD13 LEU 75 HD13 LEU 75 0.783 -1.865 -0.463 604 HD21 LEU 75 HD21 LEU 75 2.285 -2.349 -2.335 605 HD22 LEU 75 HD22 LEU 75 2.299 -1.278 -3.748 606 HD23 LEU 75 HD23 LEU 75 1.061 -2.543 -3.613 607 H CYS 76 H CYS 76 -2.218 -1.340 -1.434 608 HA CYS 76 HA CYS 76 -4.112 0.877 -1.705 609 HB2 CYS 76 HB2 CYS 76 -4.803 -1.877 -0.590 610 HB3 CYS 76 HB3 CYS 76 -5.796 -0.440 -0.434 611 HG CYS 76 HG CYS 76 -5.261 -0.459 -3.409 612 H LEU 77 H LEU 77 -4.010 2.146 -0.005 613 HA LEU 77 HA LEU 77 -3.013 1.345 2.660 614 HB2 LEU 77 HB2 LEU 77 -2.814 3.847 0.872 615 HB3 LEU 77 HB3 LEU 77 -2.786 3.976 2.619 616 HG LEU 77 HG LEU 77 -0.919 2.301 2.581 617 HD11 LEU 77 HD11 LEU 77 -0.769 2.857 -0.306 618 HD12 LEU 77 HD12 LEU 77 -0.876 1.307 0.580 619 HD13 LEU 77 HD13 LEU 77 0.595 2.264 0.723 620 HD21 LEU 77 HD21 LEU 77 0.787 4.081 2.105 621 HD22 LEU 77 HD22 LEU 77 -0.564 4.645 3.100 622 HD23 LEU 77 HD23 LEU 77 -0.541 5.042 1.378 623 H PHE 78 H PHE 78 -4.916 1.151 3.900 624 HA PHE 78 HA PHE 78 -7.238 2.910 3.177 625 HB2 PHE 78 HB2 PHE 78 -7.560 0.617 5.079 626 HB3 PHE 78 HB3 PHE 78 -8.683 1.316 3.957 627 HD1 PHE 78 HD1 PHE 78 -8.592 0.686 1.516 628 HD2 PHE 78 HD2 PHE 78 -6.050 -1.209 4.449 629 HE1 PHE 78 HE1 PHE 78 -8.255 -1.217 -0.015 630 HE2 PHE 78 HE2 PHE 78 -5.668 -3.097 2.887 631 HZ PHE 78 HZ PHE 78 -6.793 -3.102 0.643 632 H PHE 79 H PHE 79 -7.868 4.483 4.687 633 HA PHE 79 HA PHE 79 -6.687 4.378 7.406 634 HB2 PHE 79 HB2 PHE 79 -5.722 6.624 7.064 635 HB3 PHE 79 HB3 PHE 79 -4.970 5.339 6.173 636 HD1 PHE 79 HD1 PHE 79 -7.200 8.303 5.843 637 HD2 PHE 79 HD2 PHE 79 -4.956 5.265 3.812 638 HE1 PHE 79 HE1 PHE 79 -7.707 9.400 3.623 639 HE2 PHE 79 HE2 PHE 79 -5.229 6.457 1.677 640 HZ PHE 79 HZ PHE 79 -6.654 8.533 1.566 641 H GLY 80 H GLY 80 -9.468 4.137 6.601 642 HA2 GLY 80 HA2 GLY 80 -10.598 5.874 8.595 643 HA3 GLY 80 HA3 GLY 80 -11.189 6.243 6.964 644 H LYS 81 H LYS 81 -13.116 5.172 6.545 645 HA LYS 81 HA LYS 81 -13.103 2.266 7.070 646 HB2 LYS 81 HB2 LYS 81 -14.636 3.653 8.640 647 HB3 LYS 81 HB3 LYS 81 -15.684 3.831 7.228 648 HG2 LYS 81 HG2 LYS 81 -14.980 1.053 7.407 649 HG3 LYS 81 HG3 LYS 81 -15.286 1.572 9.049 650 HD2 LYS 81 HD2 LYS 81 -17.215 2.064 6.759 651 HD3 LYS 81 HD3 LYS 81 -17.173 0.517 7.591 652 HE2 LYS 81 HE2 LYS 81 -17.706 3.167 8.955 653 HE3 LYS 81 HE3 LYS 81 -18.973 2.070 8.349 654 HZ1 LYS 81 HZ1 LYS 81 -18.451 1.836 10.739 655 HZ2 LYS 81 HZ2 LYS 81 -16.977 1.208 10.357 656 HZ3 LYS 81 HZ3 LYS 81 -18.366 0.446 9.889 657 H THR 82 H THR 82 -12.710 4.221 4.658 658 HA THR 82 HA THR 82 -13.079 4.184 2.424 659 HB THR 82 HB THR 82 -13.208 1.389 1.928 660 HG1 THR 82 HG1 THR 82 -11.766 0.521 3.417 661 HG21 THR 82 HG21 THR 82 -11.579 2.842 0.827 662 HG22 THR 82 HG22 THR 82 -10.669 1.687 1.788 663 HG23 THR 82 HG23 THR 82 -10.897 3.332 2.371 664 HA PRO 83 HA PRO 83 -17.102 4.023 0.886 665 HB2 PRO 83 HB2 PRO 83 -16.834 4.031 -1.770 666 HB3 PRO 83 HB3 PRO 83 -15.953 5.231 -0.784 667 HG2 PRO 83 HG2 PRO 83 -14.917 2.591 -1.865 668 HG3 PRO 83 HG3 PRO 83 -14.158 4.208 -2.009 669 HD2 PRO 83 HD2 PRO 83 -13.562 2.343 -0.049 670 HD3 PRO 83 HD3 PRO 83 -13.359 4.108 0.183 671 H MET 84 H MET 84 -15.770 1.011 1.187 672 HA MET 84 HA MET 84 -18.049 -0.304 -0.161 673 HB2 MET 84 HB2 MET 84 -15.758 -0.275 -1.485 674 HB3 MET 84 HB3 MET 84 -15.355 -1.635 -0.445 675 HG2 MET 84 HG2 MET 84 -17.876 -1.361 -2.150 676 HG3 MET 84 HG3 MET 84 -16.425 -2.178 -2.688 677 HE1 MET 84 HE1 MET 84 -15.864 -4.604 -2.278 678 HE2 MET 84 HE2 MET 84 -15.397 -4.093 -0.635 679 HE3 MET 84 HE3 MET 84 -16.410 -5.541 -0.867 680 H SER 85 H SER 85 -18.585 0.100 2.204 681 HA SER 85 HA SER 85 -18.044 -2.254 3.811 682 HB2 SER 85 HB2 SER 85 -17.347 -0.730 5.744 683 HB3 SER 85 HB3 SER 85 -16.147 -1.026 4.519 684 HG SER 85 HG SER 85 -16.169 1.209 4.674 685 H ASP 86 H ASP 86 -19.221 -1.927 5.925 686 HA ASP 86 HA ASP 86 -20.801 0.448 6.214 687 HB2 ASP 86 HB2 ASP 86 -22.315 -1.402 5.029 688 HB3 ASP 86 HB3 ASP 86 -22.419 -2.090 6.634 689 H ASP 87 H ASP 87 -20.150 -2.832 7.378 690 HA ASP 87 HA ASP 87 -20.702 -2.060 10.171 691 HB2 ASP 87 HB2 ASP 87 -19.653 -4.616 8.889 692 HB3 ASP 87 HB3 ASP 87 -19.657 -4.395 10.635 693 H LYS 88 H LYS 88 -17.859 -3.223 8.385 694 HA LYS 88 HA LYS 88 -15.956 -2.081 10.343 695 HB2 LYS 88 HB2 LYS 88 -14.768 -4.247 10.287 696 HB3 LYS 88 HB3 LYS 88 -16.427 -4.452 10.853 697 HG2 LYS 88 HG2 LYS 88 -16.992 -5.053 8.355 698 HG3 LYS 88 HG3 LYS 88 -15.260 -5.145 8.131 699 HD2 LYS 88 HD2 LYS 88 -15.993 -7.335 8.462 700 HD3 LYS 88 HD3 LYS 88 -15.233 -6.912 9.999 701 HE2 LYS 88 HE2 LYS 88 -18.189 -6.396 9.734 702 HE3 LYS 88 HE3 LYS 88 -17.687 -8.080 9.685 703 HZ1 LYS 88 HZ1 LYS 88 -16.595 -7.814 11.805 704 HZ2 LYS 88 HZ2 LYS 88 -18.172 -7.490 11.893 705 HZ3 LYS 88 HZ3 LYS 88 -17.099 -6.252 11.936 706 H ILE 89 H ILE 89 -13.611 -2.236 9.276 707 HA ILE 89 HA ILE 89 -13.826 -0.997 6.637 708 HB ILE 89 HB ILE 89 -11.373 -1.858 8.248 709 HG12 ILE 89 HG12 ILE 89 -11.494 0.937 7.944 710 HG13 ILE 89 HG13 ILE 89 -13.137 0.499 8.357 711 HG21 ILE 89 HG21 ILE 89 -10.098 -0.511 6.659 712 HG22 ILE 89 HG22 ILE 89 -10.982 -1.721 5.750 713 HG23 ILE 89 HG23 ILE 89 -11.574 -0.057 5.787 714 HD11 ILE 89 HD11 ILE 89 -11.895 1.158 10.272 715 HD12 ILE 89 HD12 ILE 89 -12.344 -0.556 10.423 716 HD13 ILE 89 HD13 ILE 89 -10.669 -0.103 9.978 717 H GLN 90 H GLN 90 -13.944 -2.152 4.764 718 HA GLN 90 HA GLN 90 -12.508 -4.697 4.670 719 HB2 GLN 90 HB2 GLN 90 -15.286 -4.206 3.523 720 HB3 GLN 90 HB3 GLN 90 -14.203 -5.579 3.196 721 HG2 GLN 90 HG2 GLN 90 -14.175 -5.880 5.782 722 HG3 GLN 90 HG3 GLN 90 -15.609 -4.869 5.767 723 HE21 GLN 90 HE21 GLN 90 -15.209 -7.084 2.998 724 HE22 GLN 90 HE22 GLN 90 -16.072 -8.427 3.714 725 HA PRO 91 HA PRO 91 -10.862 -2.719 1.020 726 HB2 PRO 91 HB2 PRO 91 -9.747 -4.844 -0.222 727 HB3 PRO 91 HB3 PRO 91 -9.042 -4.136 1.276 728 HG2 PRO 91 HG2 PRO 91 -10.878 -6.555 1.060 729 HG3 PRO 91 HG3 PRO 91 -9.357 -6.410 2.006 730 HD2 PRO 91 HD2 PRO 91 -11.840 -6.097 3.054 731 HD3 PRO 91 HD3 PRO 91 -10.470 -5.110 3.646 732 H ALA 92 H ALA 92 -10.825 -3.046 -1.440 733 HA ALA 92 HA ALA 92 -13.431 -3.583 -2.396 734 HB1 ALA 92 HB1 ALA 92 -11.873 -1.980 -3.513 735 HB2 ALA 92 HB2 ALA 92 -10.840 -3.334 -3.987 736 HB3 ALA 92 HB3 ALA 92 -12.481 -3.204 -4.638 737 H SER 93 H SER 93 -10.583 -5.631 -2.130 738 HA SER 93 HA SER 93 -12.174 -7.962 -2.768 739 HB2 SER 93 HB2 SER 93 -10.416 -6.962 -4.784 740 HB3 SER 93 HB3 SER 93 -9.619 -8.352 -4.099 741 HG SER 93 HG SER 93 -11.192 -9.635 -4.749 742 H ALA 94 H ALA 94 -10.557 -9.842 -2.449 743 HA ALA 94 HA ALA 94 -9.481 -9.683 0.279 744 HB1 ALA 94 HB1 ALA 94 -9.146 -11.879 -1.805 745 HB2 ALA 94 HB2 ALA 94 -8.777 -12.001 -0.073 746 HB3 ALA 94 HB3 ALA 94 -10.457 -11.812 -0.614 747 H VAL 95 H VAL 95 -7.795 -8.244 0.398 748 HA VAL 95 HA VAL 95 -5.581 -8.421 -1.547 749 HB VAL 95 HB VAL 95 -4.658 -6.511 -0.405 750 HG11 VAL 95 HG11 VAL 95 -6.147 -4.931 -1.350 751 HG12 VAL 95 HG12 VAL 95 -6.361 -6.433 -2.267 752 HG13 VAL 95 HG13 VAL 95 -7.569 -5.957 -1.057 753 HG21 VAL 95 HG21 VAL 95 -7.097 -6.585 1.416 754 HG22 VAL 95 HG22 VAL 95 -5.374 -6.535 1.868 755 HG23 VAL 95 HG23 VAL 95 -6.121 -5.135 1.142 756 H ASN 96 H ASN 96 -3.335 -8.084 0.105 757 HA ASN 96 HA ASN 96 -3.252 -10.622 1.640 758 HB2 ASN 96 HB2 ASN 96 -2.382 -10.844 -0.794 759 HB3 ASN 96 HB3 ASN 96 -1.096 -9.757 -0.325 760 HD21 ASN 96 HD21 ASN 96 0.660 -11.174 -0.220 761 HD22 ASN 96 HD22 ASN 96 0.748 -12.514 0.916 762 H VAL 97 H VAL 97 -2.190 -10.244 3.660 763 HA VAL 97 HA VAL 97 -1.660 -7.383 3.875 764 HB VAL 97 HB VAL 97 -1.989 -9.202 6.249 765 HG11 VAL 97 HG11 VAL 97 -2.730 -7.088 7.283 766 HG12 VAL 97 HG12 VAL 97 -1.113 -6.852 6.591 767 HG13 VAL 97 HG13 VAL 97 -2.544 -6.230 5.745 768 HG21 VAL 97 HG21 VAL 97 -3.997 -9.519 4.883 769 HG22 VAL 97 HG22 VAL 97 -4.366 -8.463 6.254 770 HG23 VAL 97 HG23 VAL 97 -4.122 -7.749 4.638 771 H ILE 98 H ILE 98 0.349 -7.891 2.552 772 HA ILE 98 HA ILE 98 2.662 -9.133 3.828 773 HB ILE 98 HB ILE 98 3.803 -8.492 1.757 774 HG12 ILE 98 HG12 ILE 98 1.246 -6.956 1.075 775 HG13 ILE 98 HG13 ILE 98 2.837 -6.245 1.391 776 HG21 ILE 98 HG21 ILE 98 2.150 -10.462 1.888 777 HG22 ILE 98 HG22 ILE 98 1.014 -9.429 1.001 778 HG23 ILE 98 HG23 ILE 98 2.559 -9.883 0.266 779 HD11 ILE 98 HD11 ILE 98 2.005 -7.941 -0.983 780 HD12 ILE 98 HD12 ILE 98 2.470 -6.238 -0.969 781 HD13 ILE 98 HD13 ILE 98 3.698 -7.485 -0.642 782 H GLY 99 H GLY 99 1.197 -6.213 4.073 783 HA2 GLY 99 HA2 GLY 99 3.461 -4.367 4.427 784 HA3 GLY 99 HA3 GLY 99 1.869 -4.047 3.977 785 H LYS 100 H LYS 100 3.297 -2.793 6.204 786 HA LYS 100 HA LYS 100 0.699 -2.477 7.488 787 HB2 LYS 100 HB2 LYS 100 1.731 -3.883 9.057 788 HB3 LYS 100 HB3 LYS 100 3.320 -3.087 8.869 789 HG2 LYS 100 HG2 LYS 100 3.075 -1.711 10.555 790 HG3 LYS 100 HG3 LYS 100 1.388 -1.348 10.268 791 HD2 LYS 100 HD2 LYS 100 0.669 -3.359 11.386 792 HD3 LYS 100 HD3 LYS 100 2.278 -4.028 11.274 793 HE2 LYS 100 HE2 LYS 100 2.155 -3.544 13.496 794 HE3 LYS 100 HE3 LYS 100 3.073 -2.181 12.879 795 HZ1 LYS 100 HZ1 LYS 100 1.096 -0.836 13.048 796 HZ2 LYS 100 HZ2 LYS 100 1.309 -1.655 14.455 797 HZ3 LYS 100 HZ3 LYS 100 0.144 -2.135 13.367 798 H ILE 101 H ILE 101 0.309 -0.322 7.469 799 HA ILE 101 HA ILE 101 2.160 1.836 6.723 800 HB ILE 101 HB ILE 101 -0.582 1.825 8.073 801 HG12 ILE 101 HG12 ILE 101 0.010 3.207 5.442 802 HG13 ILE 101 HG13 ILE 101 -0.176 1.454 5.457 803 HG21 ILE 101 HG21 ILE 101 0.683 3.760 8.943 804 HG22 ILE 101 HG22 ILE 101 1.189 4.201 7.301 805 HG23 ILE 101 HG23 ILE 101 -0.509 4.323 7.783 806 HD11 ILE 101 HD11 ILE 101 -2.223 3.454 6.492 807 HD12 ILE 101 HD12 ILE 101 -2.351 2.446 5.035 808 HD13 ILE 101 HD13 ILE 101 -2.378 1.709 6.660 809 H VAL 102 H VAL 102 3.877 1.599 8.277 810 HA VAL 102 HA VAL 102 3.279 1.047 11.145 811 HB VAL 102 HB VAL 102 5.783 1.663 11.415 812 HG11 VAL 102 HG11 VAL 102 4.972 -0.772 9.775 813 HG12 VAL 102 HG12 VAL 102 6.423 -0.616 10.799 814 HG13 VAL 102 HG13 VAL 102 4.829 -0.594 11.544 815 HG21 VAL 102 HG21 VAL 102 6.131 2.735 9.210 816 HG22 VAL 102 HG22 VAL 102 7.195 1.348 9.432 817 HG23 VAL 102 HG23 VAL 102 5.795 1.182 8.391 818 H GLU 103 H GLU 103 4.072 3.897 9.099 819 HA GLU 103 HA GLU 103 3.321 5.686 11.304 820 HB2 GLU 103 HB2 GLU 103 5.957 4.906 10.233 821 HB3 GLU 103 HB3 GLU 103 5.674 6.594 9.875 822 HG2 GLU 103 HG2 GLU 103 5.396 5.256 12.599 823 HG3 GLU 103 HG3 GLU 103 6.781 6.128 11.987 824 H GLY 104 H GLY 104 3.197 7.914 10.530 825 HA2 GLY 104 HA2 GLY 104 2.475 9.578 9.143 826 HA3 GLY 104 HA3 GLY 104 3.038 8.651 7.763 827 H LEU 105 H LEU 105 0.612 7.523 10.117 828 HA LEU 105 HA LEU 105 -1.153 6.572 8.168 829 HB2 LEU 105 HB2 LEU 105 -1.088 5.899 10.606 830 HB3 LEU 105 HB3 LEU 105 -1.717 7.521 11.018 831 HG LEU 105 HG LEU 105 -3.808 7.037 9.824 832 HD11 LEU 105 HD11 LEU 105 -2.967 4.135 9.418 833 HD12 LEU 105 HD12 LEU 105 -2.847 5.350 8.114 834 HD13 LEU 105 HD13 LEU 105 -4.390 4.998 8.827 835 HD21 LEU 105 HD21 LEU 105 -3.681 6.459 12.185 836 HD22 LEU 105 HD22 LEU 105 -3.117 4.821 11.773 837 HD23 LEU 105 HD23 LEU 105 -4.746 5.344 11.300 838 H GLU 106 H GLU 106 -1.442 9.572 10.132 839 HA GLU 106 HA GLU 106 -3.866 10.334 8.726 840 HB2 GLU 106 HB2 GLU 106 -3.698 12.423 10.007 841 HB3 GLU 106 HB3 GLU 106 -3.716 10.946 10.978 842 HG2 GLU 106 HG2 GLU 106 -1.631 11.249 11.803 843 HG3 GLU 106 HG3 GLU 106 -0.985 11.908 10.312 844 H ASP 107 H ASP 107 -0.477 10.789 8.162 845 HA ASP 107 HA ASP 107 -0.516 13.120 6.536 846 HB2 ASP 107 HB2 ASP 107 1.397 10.991 7.210 847 HB3 ASP 107 HB3 ASP 107 1.516 11.468 5.521 848 H LEU 108 H LEU 108 -1.943 10.114 6.020 849 HA LEU 108 HA LEU 108 -1.871 10.101 3.101 850 HB2 LEU 108 HB2 LEU 108 -3.596 8.573 5.093 851 HB3 LEU 108 HB3 LEU 108 -3.437 8.214 3.390 852 HG LEU 108 HG LEU 108 -1.213 8.031 5.461 853 HD11 LEU 108 HD11 LEU 108 -1.294 5.645 5.085 854 HD12 LEU 108 HD12 LEU 108 -2.610 5.853 3.894 855 HD13 LEU 108 HD13 LEU 108 -2.867 6.242 5.607 856 HD21 LEU 108 HD21 LEU 108 0.136 7.036 3.616 857 HD22 LEU 108 HD22 LEU 108 -0.203 8.750 3.400 858 HD23 LEU 108 HD23 LEU 108 -1.123 7.548 2.463 859 H LYS 109 H LYS 109 -4.176 11.232 5.628 860 HA LYS 109 HA LYS 109 -6.366 11.600 3.780 861 HB2 LYS 109 HB2 LYS 109 -5.721 12.755 6.522 862 HB3 LYS 109 HB3 LYS 109 -7.221 13.096 5.664 863 HG2 LYS 109 HG2 LYS 109 -7.743 10.699 5.546 864 HG3 LYS 109 HG3 LYS 109 -6.306 10.326 6.511 865 HD2 LYS 109 HD2 LYS 109 -8.573 12.130 7.495 866 HD3 LYS 109 HD3 LYS 109 -8.568 10.389 7.695 867 HE2 LYS 109 HE2 LYS 109 -7.770 11.202 9.725 868 HE3 LYS 109 HE3 LYS 109 -6.390 10.511 8.870 869 HZ1 LYS 109 HZ1 LYS 109 -5.997 12.720 9.983 870 HZ2 LYS 109 HZ2 LYS 109 -6.976 13.414 8.856 871 HZ3 LYS 109 HZ3 LYS 109 -5.598 12.743 8.399 872 H LYS 110 H LYS 110 -3.458 13.359 4.091 873 HA LYS 110 HA LYS 110 -4.704 15.869 3.184 874 HB2 LYS 110 HB2 LYS 110 -2.688 16.925 3.915 875 HB3 LYS 110 HB3 LYS 110 -3.507 16.054 5.202 876 HG2 LYS 110 HG2 LYS 110 -1.796 14.173 4.793 877 HG3 LYS 110 HG3 LYS 110 -0.907 15.334 3.804 878 HD2 LYS 110 HD2 LYS 110 -1.696 15.547 6.722 879 HD3 LYS 110 HD3 LYS 110 -0.051 15.321 6.127 880 HE2 LYS 110 HE2 LYS 110 -1.761 17.806 5.668 881 HE3 LYS 110 HE3 LYS 110 -0.597 17.634 6.974 882 HZ1 LYS 110 HZ1 LYS 110 1.161 17.572 5.457 883 HZ2 LYS 110 HZ2 LYS 110 0.208 18.843 5.013 884 HZ3 LYS 110 HZ3 LYS 110 0.214 17.432 4.138 885 H ILE 111 H ILE 111 -3.933 13.276 1.521 886 HA ILE 111 HA ILE 111 -2.159 14.597 -0.473 887 HB ILE 111 HB ILE 111 -2.890 11.658 -0.122 888 HG12 ILE 111 HG12 ILE 111 -1.702 12.134 1.874 889 HG13 ILE 111 HG13 ILE 111 -0.600 11.295 0.811 890 HG21 ILE 111 HG21 ILE 111 -0.526 12.859 -1.608 891 HG22 ILE 111 HG22 ILE 111 -1.016 11.152 -1.525 892 HG23 ILE 111 HG23 ILE 111 -2.040 12.325 -2.356 893 HD11 ILE 111 HD11 ILE 111 0.651 13.008 1.871 894 HD12 ILE 111 HD12 ILE 111 0.379 13.621 0.232 895 HD13 ILE 111 HD13 ILE 111 -0.590 14.233 1.581 896 H LYS 112 H LYS 112 -2.995 15.161 -2.358 897 HA LYS 112 HA LYS 112 -5.825 14.910 -2.918 898 HB2 LYS 112 HB2 LYS 112 -3.538 15.879 -4.677 899 HB3 LYS 112 HB3 LYS 112 -5.223 16.069 -5.054 900 HG2 LYS 112 HG2 LYS 112 -4.039 17.203 -2.505 901 HG3 LYS 112 HG3 LYS 112 -3.981 18.072 -4.018 902 HD2 LYS 112 HD2 LYS 112 -6.388 18.216 -4.155 903 HD3 LYS 112 HD3 LYS 112 -6.584 16.955 -2.917 904 HE2 LYS 112 HE2 LYS 112 -5.341 18.448 -1.332 905 HE3 LYS 112 HE3 LYS 112 -5.550 19.783 -2.479 906 HZ1 LYS 112 HZ1 LYS 112 -7.793 18.177 -1.409 907 HZ2 LYS 112 HZ2 LYS 112 -7.886 19.626 -2.181 908 HZ3 LYS 112 HZ3 LYS 112 -7.239 19.515 -0.651 909 H ASP 113 H ASP 113 -6.334 14.235 -5.280 910 HA ASP 113 HA ASP 113 -5.657 11.427 -5.714 911 HB2 ASP 113 HB2 ASP 113 -7.927 12.524 -5.989 912 HB3 ASP 113 HB3 ASP 113 -7.257 13.364 -7.392 913 H GLY 114 H GLY 114 -3.338 12.759 -5.887 914 HA2 GLY 114 HA2 GLY 114 -1.957 11.831 -7.994 915 HA3 GLY 114 HA3 GLY 114 -2.678 13.256 -8.762 916 H GLU 115 H GLU 115 -0.507 12.161 -6.232 917 HA GLU 115 HA GLU 115 0.789 14.842 -6.072 918 HB2 GLU 115 HB2 GLU 115 0.025 12.904 -3.867 919 HB3 GLU 115 HB3 GLU 115 0.973 14.354 -3.622 920 HG2 GLU 115 HG2 GLU 115 -1.862 14.441 -4.717 921 HG3 GLU 115 HG3 GLU 115 -1.468 14.395 -3.021 922 H LYS 116 H LYS 116 1.483 12.421 -7.520 923 HA LYS 116 HA LYS 116 3.168 10.850 -7.878 924 HB2 LYS 116 HB2 LYS 116 4.207 13.593 -7.766 925 HB3 LYS 116 HB3 LYS 116 5.466 12.372 -7.618 926 HG2 LYS 116 HG2 LYS 116 4.779 11.192 -9.573 927 HG3 LYS 116 HG3 LYS 116 3.334 12.201 -9.766 928 HD2 LYS 116 HD2 LYS 116 4.649 14.153 -10.268 929 HD3 LYS 116 HD3 LYS 116 6.161 13.319 -9.870 930 HE2 LYS 116 HE2 LYS 116 4.358 12.005 -11.882 931 HE3 LYS 116 HE3 LYS 116 5.118 13.505 -12.383 932 HZ1 LYS 116 HZ1 LYS 116 7.256 12.544 -11.912 933 HZ2 LYS 116 HZ2 LYS 116 6.433 11.551 -12.945 934 HZ3 LYS 116 HZ3 LYS 116 6.632 11.188 -11.329 935 H VAL 117 H VAL 117 2.784 9.388 -6.079 936 HA VAL 117 HA VAL 117 4.216 9.832 -3.588 937 HB VAL 117 HB VAL 117 2.188 8.659 -3.521 938 HG11 VAL 117 HG11 VAL 117 1.739 6.421 -4.325 939 HG12 VAL 117 HG12 VAL 117 2.050 7.494 -5.686 940 HG13 VAL 117 HG13 VAL 117 3.303 6.349 -5.149 941 HG21 VAL 117 HG21 VAL 117 3.823 8.204 -1.863 942 HG22 VAL 117 HG22 VAL 117 2.810 6.782 -2.148 943 HG23 VAL 117 HG23 VAL 117 4.468 6.823 -2.801 944 H ALA 118 H ALA 118 6.423 9.832 -3.649 945 HA ALA 118 HA ALA 118 7.971 8.224 -5.543 946 HB1 ALA 118 HB1 ALA 118 8.651 10.541 -5.127 947 HB2 ALA 118 HB2 ALA 118 8.688 10.252 -3.380 948 HB3 ALA 118 HB3 ALA 118 9.863 9.436 -4.433 949 H VAL 119 H VAL 119 7.910 6.156 -4.939 950 HA VAL 119 HA VAL 119 7.932 5.122 -2.216 951 HB VAL 119 HB VAL 119 8.370 3.823 -4.961 952 HG11 VAL 119 HG11 VAL 119 7.746 1.737 -3.884 953 HG12 VAL 119 HG12 VAL 119 9.174 2.441 -3.130 954 HG13 VAL 119 HG13 VAL 119 7.589 2.566 -2.317 955 HG21 VAL 119 HG21 VAL 119 6.120 4.871 -4.907 956 HG22 VAL 119 HG22 VAL 119 6.039 3.117 -4.933 957 HG23 VAL 119 HG23 VAL 119 5.746 3.971 -3.422 958 H ARG 120 H ARG 120 9.909 5.021 -1.046 959 HA ARG 120 HA ARG 120 12.276 4.098 -2.567 960 HB2 ARG 120 HB2 ARG 120 12.695 6.040 -0.317 961 HB3 ARG 120 HB3 ARG 120 13.836 5.444 -1.509 962 HG2 ARG 120 HG2 ARG 120 12.462 6.731 -3.263 963 HG3 ARG 120 HG3 ARG 120 11.597 7.466 -1.917 964 HD2 ARG 120 HD2 ARG 120 13.865 8.130 -0.949 965 HD3 ARG 120 HD3 ARG 120 14.573 7.569 -2.486 966 HE ARG 120 HE ARG 120 12.402 9.509 -2.709 967 HH11 ARG 120 HH11 ARG 120 15.961 9.362 -2.413 968 HH12 ARG 120 HH12 ARG 120 16.155 11.070 -2.491 969 HH21 ARG 120 HH21 ARG 120 12.646 11.547 -3.120 970 HH22 ARG 120 HH22 ARG 120 14.147 12.397 -3.243 971 H PHE 121 H PHE 121 13.937 3.124 -0.802 972 HA PHE 121 HA PHE 121 12.460 1.080 0.559 973 HB2 PHE 121 HB2 PHE 121 15.372 1.944 0.500 974 HB3 PHE 121 HB3 PHE 121 14.838 0.617 1.506 975 HD1 PHE 121 HD1 PHE 121 13.345 -1.178 0.384 976 HD2 PHE 121 HD2 PHE 121 15.858 1.552 -1.742 977 HE1 PHE 121 HE1 PHE 121 13.275 -2.707 -1.569 978 HE2 PHE 121 HE2 PHE 121 15.916 -0.025 -3.727 979 HZ PHE 121 HZ PHE 121 14.665 -2.127 -3.632 980 H ALA 122 H ALA 122 13.325 4.002 1.556 981 HA ALA 122 HA ALA 122 13.441 5.216 3.566 982 HB1 ALA 122 HB1 ALA 122 11.331 3.730 4.170 983 HB2 ALA 122 HB2 ALA 122 12.446 2.973 5.288 984 HB3 ALA 122 HB3 ALA 122 12.171 4.715 5.414 985 H SER 123 H SER 123 15.713 5.325 3.738 986 HA SER 123 HA SER 123 17.748 4.991 4.219 987 HB2 SER 123 HB2 SER 123 18.235 4.294 6.453 988 HB3 SER 123 HB3 SER 123 16.839 5.346 6.412 989 HG SER 123 HG SER 123 16.680 2.491 6.558 990 H SER 124 H SER 124 16.271 2.099 3.711 991 HA SER 124 HA SER 124 16.867 -0.074 3.329 992 HB2 SER 124 HB2 SER 124 19.810 0.613 3.484 993 HB3 SER 124 HB3 SER 124 19.061 -0.862 2.904 994 HG SER 124 HG SER 124 19.808 0.364 1.236 Start of MODEL 10 1 H1 MET 1 H1 MET 1 11.374 -5.824 5.824 2 HA MET 1 HA MET 1 13.470 -3.923 4.930 3 HB2 MET 1 HB2 MET 1 13.204 -5.714 3.270 4 HB3 MET 1 HB3 MET 1 11.444 -5.469 3.243 5 HG2 MET 1 HG2 MET 1 11.630 -3.684 1.838 6 HG3 MET 1 HG3 MET 1 13.031 -3.053 2.685 7 HE1 MET 1 HE1 MET 1 13.307 -6.496 -0.465 8 HE2 MET 1 HE2 MET 1 12.247 -6.486 0.955 9 HE3 MET 1 HE3 MET 1 11.884 -5.448 -0.437 10 H ARG 2 H ARG 2 12.831 -1.868 4.949 11 HA ARG 2 HA ARG 2 9.953 -1.203 5.274 12 HB2 ARG 2 HB2 ARG 2 12.596 0.247 5.785 13 HB3 ARG 2 HB3 ARG 2 11.049 1.104 5.723 14 HG2 ARG 2 HG2 ARG 2 10.598 -1.159 7.382 15 HG3 ARG 2 HG3 ARG 2 12.186 -0.543 7.867 16 HD2 ARG 2 HD2 ARG 2 10.327 1.681 7.605 17 HD3 ARG 2 HD3 ARG 2 9.563 0.377 8.494 18 HE ARG 2 HE ARG 2 11.927 0.461 9.759 19 HH11 ARG 2 HH11 ARG 2 9.816 3.222 8.794 20 HH12 ARG 2 HH12 ARG 2 10.420 4.277 9.996 21 HH21 ARG 2 HH21 ARG 2 12.208 1.780 11.728 22 HH22 ARG 2 HH22 ARG 2 11.748 3.423 11.714 23 H VAL 3 H VAL 3 9.266 0.615 4.125 24 HA VAL 3 HA VAL 3 10.576 1.353 1.611 25 HB VAL 3 HB VAL 3 7.827 0.053 1.807 26 HG11 VAL 3 HG11 VAL 3 7.577 0.280 -0.573 27 HG12 VAL 3 HG12 VAL 3 7.895 1.891 0.094 28 HG13 VAL 3 HG13 VAL 3 9.201 0.999 -0.728 29 HG21 VAL 3 HG21 VAL 3 9.492 -1.699 1.819 30 HG22 VAL 3 HG22 VAL 3 8.826 -1.620 0.185 31 HG23 VAL 3 HG23 VAL 3 10.404 -0.878 0.523 32 H GLU 4 H GLU 4 10.035 3.656 1.245 33 HA GLU 4 HA GLU 4 8.087 4.847 3.097 34 HB2 GLU 4 HB2 GLU 4 10.371 5.467 3.697 35 HB3 GLU 4 HB3 GLU 4 10.782 5.930 2.018 36 HG2 GLU 4 HG2 GLU 4 8.875 7.669 2.347 37 HG3 GLU 4 HG3 GLU 4 8.777 7.213 4.031 38 H LEU 5 H LEU 5 6.633 6.201 2.093 39 HA LEU 5 HA LEU 5 6.735 6.451 -0.846 40 HB2 LEU 5 HB2 LEU 5 4.422 6.142 1.154 41 HB3 LEU 5 HB3 LEU 5 4.231 6.682 -0.501 42 HG LEU 5 HG LEU 5 5.328 4.587 -1.292 43 HD11 LEU 5 HD11 LEU 5 5.108 2.564 0.258 44 HD12 LEU 5 HD12 LEU 5 5.133 3.749 1.589 45 HD13 LEU 5 HD13 LEU 5 6.499 3.613 0.451 46 HD21 LEU 5 HD21 LEU 5 2.686 4.654 0.162 47 HD22 LEU 5 HD22 LEU 5 3.195 3.176 -0.662 48 HD23 LEU 5 HD23 LEU 5 3.020 4.680 -1.575 49 H LEU 6 H LEU 6 7.613 8.404 -1.139 50 HA LEU 6 HA LEU 6 6.909 10.697 0.625 51 HB2 LEU 6 HB2 LEU 6 9.184 10.003 -1.134 52 HB3 LEU 6 HB3 LEU 6 8.463 11.490 -1.665 53 HG LEU 6 HG LEU 6 9.061 11.096 1.282 54 HD11 LEU 6 HD11 LEU 6 11.251 12.044 1.059 55 HD12 LEU 6 HD12 LEU 6 11.044 12.283 -0.679 56 HD13 LEU 6 HD13 LEU 6 11.158 10.641 -0.005 57 HD21 LEU 6 HD21 LEU 6 9.147 13.537 1.311 58 HD22 LEU 6 HD22 LEU 6 7.652 13.072 0.453 59 HD23 LEU 6 HD23 LEU 6 9.048 13.611 -0.462 60 H PHE 7 H PHE 7 5.534 12.295 -0.153 61 HA PHE 7 HA PHE 7 4.521 11.999 -2.913 62 HB2 PHE 7 HB2 PHE 7 2.787 12.783 -0.562 63 HB3 PHE 7 HB3 PHE 7 2.302 12.368 -2.180 64 HD1 PHE 7 HD1 PHE 7 3.444 11.079 1.106 65 HD2 PHE 7 HD2 PHE 7 1.855 10.009 -2.699 66 HE1 PHE 7 HE1 PHE 7 2.886 8.878 2.003 67 HE2 PHE 7 HE2 PHE 7 1.152 7.834 -1.850 68 HZ PHE 7 HZ PHE 7 1.690 7.202 0.557 69 H GLU 8 H GLU 8 3.591 14.080 -3.607 70 HA GLU 8 HA GLU 8 5.069 16.423 -2.932 71 HB2 GLU 8 HB2 GLU 8 2.433 15.971 -4.322 72 HB3 GLU 8 HB3 GLU 8 3.157 17.557 -4.237 73 HG2 GLU 8 HG2 GLU 8 4.902 15.324 -5.287 74 HG3 GLU 8 HG3 GLU 8 3.480 15.669 -6.230 75 H SER 9 H SER 9 2.303 15.033 -1.312 76 HA SER 9 HA SER 9 1.888 17.540 0.244 77 HB2 SER 9 HB2 SER 9 0.009 15.223 -0.242 78 HB3 SER 9 HB3 SER 9 -0.365 16.674 0.714 79 HG SER 9 HG SER 9 -0.120 17.882 -1.184 80 H GLY 10 H GLY 10 3.510 14.572 0.760 81 HA2 GLY 10 HA2 GLY 10 3.630 14.871 3.542 82 HA3 GLY 10 HA3 GLY 10 2.320 13.715 3.180 83 H LYS 11 H LYS 11 3.861 12.248 4.366 84 HA LYS 11 HA LYS 11 5.131 10.607 2.405 85 HB2 LYS 11 HB2 LYS 11 7.506 10.681 3.245 86 HB3 LYS 11 HB3 LYS 11 7.004 12.044 2.253 87 HG2 LYS 11 HG2 LYS 11 7.064 13.573 3.952 88 HG3 LYS 11 HG3 LYS 11 6.662 12.383 5.187 89 HD2 LYS 11 HD2 LYS 11 8.981 11.373 4.869 90 HD3 LYS 11 HD3 LYS 11 9.334 12.772 3.823 91 HE2 LYS 11 HE2 LYS 11 10.061 13.630 5.856 92 HE3 LYS 11 HE3 LYS 11 8.382 14.175 5.871 93 HZ1 LYS 11 HZ1 LYS 11 7.971 12.008 7.195 94 HZ2 LYS 11 HZ2 LYS 11 8.748 13.231 7.930 95 HZ3 LYS 11 HZ3 LYS 11 9.621 11.983 7.383 96 H CYS 12 H CYS 12 4.951 8.688 3.113 97 HA CYS 12 HA CYS 12 4.721 8.173 6.033 98 HB2 CYS 12 HB2 CYS 12 2.778 7.125 3.962 99 HB3 CYS 12 HB3 CYS 12 2.739 6.824 5.652 100 HG CYS 12 HG CYS 12 2.822 9.738 5.903 101 H VAL 13 H VAL 13 4.630 5.575 6.342 102 HA VAL 13 HA VAL 13 6.768 4.488 4.622 103 HB VAL 13 HB VAL 13 6.928 4.436 7.626 104 HG11 VAL 13 HG11 VAL 13 9.381 4.100 7.153 105 HG12 VAL 13 HG12 VAL 13 8.337 2.826 6.441 106 HG13 VAL 13 HG13 VAL 13 9.017 4.125 5.431 107 HG21 VAL 13 HG21 VAL 13 8.270 6.591 5.975 108 HG22 VAL 13 HG22 VAL 13 6.999 6.846 7.178 109 HG23 VAL 13 HG23 VAL 13 8.576 6.263 7.678 110 H ILE 14 H ILE 14 6.605 2.362 4.366 111 HA ILE 14 HA ILE 14 4.661 0.883 6.008 112 HB ILE 14 HB ILE 14 3.847 -0.247 4.119 113 HG12 ILE 14 HG12 ILE 14 5.704 1.303 2.277 114 HG13 ILE 14 HG13 ILE 14 5.941 -0.368 2.807 115 HG21 ILE 14 HG21 ILE 14 3.873 2.729 3.367 116 HG22 ILE 14 HG22 ILE 14 2.627 1.514 2.949 117 HG23 ILE 14 HG23 ILE 14 2.850 1.998 4.641 118 HD11 ILE 14 HD11 ILE 14 3.614 0.559 1.112 119 HD12 ILE 14 HD12 ILE 14 5.032 -0.397 0.598 120 HD13 ILE 14 HD13 ILE 14 3.865 -1.079 1.749 121 H ASP 15 H ASP 15 5.162 -1.100 6.365 122 HA ASP 15 HA ASP 15 7.805 -2.184 5.801 123 HB2 ASP 15 HB2 ASP 15 7.373 -2.835 8.335 124 HB3 ASP 15 HB3 ASP 15 6.977 -1.020 8.221 125 H LEU 16 H LEU 16 8.149 -4.021 5.179 126 HA LEU 16 HA LEU 16 5.815 -5.893 5.119 127 HB2 LEU 16 HB2 LEU 16 8.121 -5.692 3.233 128 HB3 LEU 16 HB3 LEU 16 6.546 -6.391 2.954 129 HG LEU 16 HG LEU 16 7.005 -4.407 1.713 130 HD11 LEU 16 HD11 LEU 16 4.817 -3.632 3.588 131 HD12 LEU 16 HD12 LEU 16 4.644 -4.965 2.408 132 HD13 LEU 16 HD13 LEU 16 4.915 -3.289 1.854 133 HD21 LEU 16 HD21 LEU 16 7.394 -2.385 2.054 134 HD22 LEU 16 HD22 LEU 16 8.458 -3.249 3.193 135 HD23 LEU 16 HD23 LEU 16 6.967 -2.411 3.746 136 H ASN 17 H ASN 17 6.110 -7.986 5.295 137 HA ASN 17 HA ASN 17 8.352 -8.790 6.957 138 HB2 ASN 17 HB2 ASN 17 5.917 -9.442 7.338 139 HB3 ASN 17 HB3 ASN 17 6.075 -10.534 5.956 140 HD21 ASN 17 HD21 ASN 17 8.979 -10.429 7.771 141 HD22 ASN 17 HD22 ASN 17 8.702 -11.871 8.642 142 H GLU 18 H GLU 18 9.287 -8.423 4.286 143 HA GLU 18 HA GLU 18 10.069 -9.387 2.329 144 HB2 GLU 18 HB2 GLU 18 11.556 -10.435 4.751 145 HB3 GLU 18 HB3 GLU 18 12.115 -10.301 3.090 146 HG2 GLU 18 HG2 GLU 18 11.581 -7.813 3.188 147 HG3 GLU 18 HG3 GLU 18 11.446 -8.019 4.944 148 H GLU 19 H GLU 19 7.818 -11.346 3.448 149 HA GLU 19 HA GLU 19 9.035 -13.900 2.536 150 HB2 GLU 19 HB2 GLU 19 6.912 -13.151 4.581 151 HB3 GLU 19 HB3 GLU 19 7.095 -14.803 4.003 152 HG2 GLU 19 HG2 GLU 19 9.508 -13.308 5.034 153 HG3 GLU 19 HG3 GLU 19 8.341 -14.028 6.147 154 H TYR 20 H TYR 20 7.473 -11.614 1.016 155 HA TYR 20 HA TYR 20 5.335 -13.353 -0.105 156 HB2 TYR 20 HB2 TYR 20 5.246 -10.394 0.383 157 HB3 TYR 20 HB3 TYR 20 3.966 -11.362 -0.270 158 HD1 TYR 20 HD1 TYR 20 3.242 -13.462 1.274 159 HD2 TYR 20 HD2 TYR 20 5.076 -9.840 2.740 160 HE1 TYR 20 HE1 TYR 20 2.157 -13.802 3.473 161 HE2 TYR 20 HE2 TYR 20 3.996 -10.186 4.932 162 HH TYR 20 HH TYR 20 2.767 -11.751 6.272 163 H GLU 21 H GLU 21 5.383 -13.486 -2.217 164 HA GLU 21 HA GLU 21 7.573 -13.094 -3.752 165 HB2 GLU 21 HB2 GLU 21 5.476 -14.384 -4.393 166 HB3 GLU 21 HB3 GLU 21 4.752 -12.847 -4.861 167 HG2 GLU 21 HG2 GLU 21 5.584 -13.069 -6.878 168 HG3 GLU 21 HG3 GLU 21 7.184 -12.797 -6.232 169 H VAL 22 H VAL 22 4.860 -10.861 -3.713 170 HA VAL 22 HA VAL 22 5.883 -8.733 -5.260 171 HB VAL 22 HB VAL 22 3.561 -9.151 -4.695 172 HG11 VAL 22 HG11 VAL 22 2.566 -8.703 -2.538 173 HG12 VAL 22 HG12 VAL 22 3.680 -10.071 -2.467 174 HG13 VAL 22 HG13 VAL 22 4.189 -8.491 -1.841 175 HG21 VAL 22 HG21 VAL 22 4.275 -6.816 -5.232 176 HG22 VAL 22 HG22 VAL 22 2.755 -6.956 -4.337 177 HG23 VAL 22 HG23 VAL 22 4.223 -6.484 -3.474 178 H VAL 23 H VAL 23 6.368 -9.119 -1.681 179 HA VAL 23 HA VAL 23 7.788 -6.630 -1.438 180 HB VAL 23 HB VAL 23 7.983 -9.189 0.202 181 HG11 VAL 23 HG11 VAL 23 9.862 -7.682 0.688 182 HG12 VAL 23 HG12 VAL 23 8.731 -6.324 0.880 183 HG13 VAL 23 HG13 VAL 23 8.691 -7.669 2.022 184 HG21 VAL 23 HG21 VAL 23 5.637 -8.251 0.056 185 HG22 VAL 23 HG22 VAL 23 6.334 -8.157 1.667 186 HG23 VAL 23 HG23 VAL 23 6.257 -6.707 0.623 187 H LYS 24 H LYS 24 8.969 -10.063 -2.139 188 HA LYS 24 HA LYS 24 11.703 -9.363 -2.238 189 HB2 LYS 24 HB2 LYS 24 10.308 -11.616 -3.750 190 HB3 LYS 24 HB3 LYS 24 11.985 -11.537 -3.198 191 HG2 LYS 24 HG2 LYS 24 11.110 -11.486 -0.811 192 HG3 LYS 24 HG3 LYS 24 9.493 -11.755 -1.448 193 HD2 LYS 24 HD2 LYS 24 10.238 -13.881 -2.488 194 HD3 LYS 24 HD3 LYS 24 11.836 -13.574 -1.768 195 HE2 LYS 24 HE2 LYS 24 10.747 -13.467 0.492 196 HE3 LYS 24 HE3 LYS 24 9.193 -13.877 -0.269 197 HZ1 LYS 24 HZ1 LYS 24 11.587 -15.576 -0.039 198 HZ2 LYS 24 HZ2 LYS 24 10.223 -16.004 -0.908 199 HZ3 LYS 24 HZ3 LYS 24 10.132 -15.804 0.699 200 H LEU 25 H LEU 25 9.177 -9.413 -4.761 201 HA LEU 25 HA LEU 25 11.050 -9.040 -6.979 202 HB2 LEU 25 HB2 LEU 25 8.022 -8.865 -6.682 203 HB3 LEU 25 HB3 LEU 25 8.857 -8.518 -8.200 204 HG LEU 25 HG LEU 25 9.015 -11.215 -6.797 205 HD11 LEU 25 HD11 LEU 25 7.420 -11.926 -8.579 206 HD12 LEU 25 HD12 LEU 25 7.331 -10.241 -9.147 207 HD13 LEU 25 HD13 LEU 25 6.707 -10.678 -7.539 208 HD21 LEU 25 HD21 LEU 25 10.920 -10.764 -8.297 209 HD22 LEU 25 HD22 LEU 25 9.803 -10.292 -9.595 210 HD23 LEU 25 HD23 LEU 25 9.847 -11.970 -8.996 211 H LEU 26 H LEU 26 9.020 -7.020 -4.913 212 HA LEU 26 HA LEU 26 9.214 -4.581 -6.315 213 HB2 LEU 26 HB2 LEU 26 8.613 -5.512 -3.536 214 HB3 LEU 26 HB3 LEU 26 9.309 -3.967 -3.584 215 HG LEU 26 HG LEU 26 6.890 -3.887 -3.575 216 HD11 LEU 26 HD11 LEU 26 8.030 -2.010 -4.653 217 HD12 LEU 26 HD12 LEU 26 6.464 -2.307 -5.435 218 HD13 LEU 26 HD13 LEU 26 7.975 -2.865 -6.190 219 HD21 LEU 26 HD21 LEU 26 5.956 -5.582 -4.397 220 HD22 LEU 26 HD22 LEU 26 6.897 -5.719 -5.847 221 HD23 LEU 26 HD23 LEU 26 5.613 -4.471 -5.709 222 H LYS 27 H LYS 27 11.635 -6.365 -4.530 223 HA LYS 27 HA LYS 27 13.441 -4.193 -4.100 224 HB2 LYS 27 HB2 LYS 27 13.306 -6.666 -3.127 225 HB3 LYS 27 HB3 LYS 27 14.278 -7.066 -4.554 226 HG2 LYS 27 HG2 LYS 27 15.841 -5.157 -3.771 227 HG3 LYS 27 HG3 LYS 27 14.922 -5.206 -2.248 228 HD2 LYS 27 HD2 LYS 27 16.436 -6.820 -1.631 229 HD3 LYS 27 HD3 LYS 27 15.455 -7.890 -2.630 230 HE2 LYS 27 HE2 LYS 27 17.510 -8.270 -3.614 231 HE3 LYS 27 HE3 LYS 27 16.932 -6.900 -4.598 232 HZ1 LYS 27 HZ1 LYS 27 18.780 -6.736 -2.265 233 HZ2 LYS 27 HZ2 LYS 27 18.174 -5.440 -3.082 234 HZ3 LYS 27 HZ3 LYS 27 19.170 -6.503 -3.833 235 H GLU 28 H GLU 28 12.457 -5.698 -7.095 236 HA GLU 28 HA GLU 28 14.944 -4.827 -8.433 237 HB2 GLU 28 HB2 GLU 28 12.357 -6.199 -9.325 238 HB3 GLU 28 HB3 GLU 28 13.537 -5.642 -10.479 239 HG2 GLU 28 HG2 GLU 28 14.590 -7.285 -8.174 240 HG3 GLU 28 HG3 GLU 28 13.608 -8.136 -9.322 241 H LYS 29 H LYS 29 11.885 -3.543 -7.525 242 HA LYS 29 HA LYS 29 11.968 -1.419 -9.619 243 HB2 LYS 29 HB2 LYS 29 9.526 -2.786 -8.467 244 HB3 LYS 29 HB3 LYS 29 9.561 -1.508 -9.691 245 HG2 LYS 29 HG2 LYS 29 10.452 -4.386 -10.063 246 HG3 LYS 29 HG3 LYS 29 9.022 -3.577 -10.741 247 HD2 LYS 29 HD2 LYS 29 10.648 -1.992 -11.927 248 HD3 LYS 29 HD3 LYS 29 11.922 -3.153 -11.470 249 HE2 LYS 29 HE2 LYS 29 10.636 -4.981 -12.569 250 HE3 LYS 29 HE3 LYS 29 9.422 -3.780 -13.070 251 HZ1 LYS 29 HZ1 LYS 29 12.236 -3.973 -13.944 252 HZ2 LYS 29 HZ2 LYS 29 11.328 -2.630 -14.213 253 HZ3 LYS 29 HZ3 LYS 29 10.873 -4.068 -14.868 254 H ILE 30 H ILE 30 13.110 -1.391 -6.843 255 HA ILE 30 HA ILE 30 11.583 0.994 -5.964 256 HB ILE 30 HB ILE 30 12.834 -1.122 -4.218 257 HG12 ILE 30 HG12 ILE 30 10.100 0.226 -4.047 258 HG13 ILE 30 HG13 ILE 30 10.346 -1.230 -4.961 259 HG21 ILE 30 HG21 ILE 30 12.506 0.339 -2.275 260 HG22 ILE 30 HG22 ILE 30 13.582 1.141 -3.389 261 HG23 ILE 30 HG23 ILE 30 11.866 1.632 -3.298 262 HD11 ILE 30 HD11 ILE 30 10.749 -0.907 -1.949 263 HD12 ILE 30 HD12 ILE 30 9.492 -1.835 -2.762 264 HD13 ILE 30 HD13 ILE 30 11.193 -2.370 -2.855 265 HA PRO 31 HA PRO 31 12.056 2.978 -5.014 266 HB2 PRO 31 HB2 PRO 31 12.814 5.374 -6.276 267 HB3 PRO 31 HB3 PRO 31 13.108 4.915 -4.581 268 HG2 PRO 31 HG2 PRO 31 15.030 4.936 -6.819 269 HG3 PRO 31 HG3 PRO 31 15.286 5.090 -5.039 270 HD2 PRO 31 HD2 PRO 31 15.774 2.769 -6.570 271 HD3 PRO 31 HD3 PRO 31 15.535 2.811 -4.800 272 H PHE 32 H PHE 32 10.376 4.207 -6.238 273 HA PHE 32 HA PHE 32 10.492 4.228 -9.034 274 HB2 PHE 32 HB2 PHE 32 8.634 2.979 -9.696 275 HB3 PHE 32 HB3 PHE 32 9.713 1.922 -8.845 276 HD1 PHE 32 HD1 PHE 32 9.096 1.482 -6.267 277 HD2 PHE 32 HD2 PHE 32 6.365 3.006 -9.202 278 HE1 PHE 32 HE1 PHE 32 7.205 0.338 -5.113 279 HE2 PHE 32 HE2 PHE 32 4.461 2.001 -7.978 280 HZ PHE 32 HZ PHE 32 4.896 0.558 -5.999 281 H GLU 33 H GLU 33 8.450 5.451 -9.910 282 HA GLU 33 HA GLU 33 7.132 6.921 -7.710 283 HB2 GLU 33 HB2 GLU 33 7.555 7.774 -10.528 284 HB3 GLU 33 HB3 GLU 33 6.480 8.615 -9.414 285 HG2 GLU 33 HG2 GLU 33 8.445 9.281 -8.079 286 HG3 GLU 33 HG3 GLU 33 9.506 8.482 -9.253 287 H SER 34 H SER 34 4.788 7.203 -8.092 288 HA SER 34 HA SER 34 3.651 6.196 -10.540 289 HB2 SER 34 HB2 SER 34 3.840 4.145 -9.048 290 HB3 SER 34 HB3 SER 34 2.662 4.928 -7.980 291 HG SER 34 HG SER 34 2.220 3.441 -10.077 292 H VAL 35 H VAL 35 1.005 6.296 -9.823 293 HA VAL 35 HA VAL 35 0.626 9.184 -9.190 294 HB VAL 35 HB VAL 35 -1.289 7.157 -10.477 295 HG11 VAL 35 HG11 VAL 35 -2.486 9.086 -9.486 296 HG12 VAL 35 HG12 VAL 35 -1.449 10.205 -10.400 297 HG13 VAL 35 HG13 VAL 35 -2.580 9.119 -11.236 298 HG21 VAL 35 HG21 VAL 35 0.610 7.446 -11.955 299 HG22 VAL 35 HG22 VAL 35 -0.796 8.240 -12.644 300 HG23 VAL 35 HG23 VAL 35 0.468 9.215 -11.852 301 H VAL 36 H VAL 36 -0.631 9.699 -7.472 302 HA VAL 36 HA VAL 36 -1.308 7.588 -5.547 303 HB VAL 36 HB VAL 36 -1.588 10.633 -5.285 304 HG11 VAL 36 HG11 VAL 36 -1.025 8.475 -3.227 305 HG12 VAL 36 HG12 VAL 36 -1.244 10.201 -2.925 306 HG13 VAL 36 HG13 VAL 36 -2.628 9.253 -3.466 307 HG21 VAL 36 HG21 VAL 36 0.765 8.966 -4.540 308 HG22 VAL 36 HG22 VAL 36 0.790 10.097 -5.912 309 HG23 VAL 36 HG23 VAL 36 0.601 10.708 -4.269 310 H ASN 37 H ASN 37 -3.125 6.819 -7.071 311 HA ASN 37 HA ASN 37 -5.424 8.668 -7.376 312 HB2 ASN 37 HB2 ASN 37 -5.330 5.674 -7.716 313 HB3 ASN 37 HB3 ASN 37 -6.648 6.750 -8.213 314 HD21 ASN 37 HD21 ASN 37 -3.586 5.367 -9.125 315 HD22 ASN 37 HD22 ASN 37 -3.658 6.075 -10.747 316 H THR 38 H THR 38 -7.241 8.665 -5.950 317 HA THR 38 HA THR 38 -6.948 6.902 -3.525 318 HB THR 38 HB THR 38 -7.946 8.541 -2.194 319 HG1 THR 38 HG1 THR 38 -9.479 9.364 -3.704 320 HG21 THR 38 HG21 THR 38 -6.301 10.385 -3.916 321 HG22 THR 38 HG22 THR 38 -5.490 9.006 -3.161 322 HG23 THR 38 HG23 THR 38 -6.286 10.219 -2.151 323 H TRP 39 H TRP 39 -8.868 5.938 -2.590 324 HA TRP 39 HA TRP 39 -11.336 6.093 -4.197 325 HB2 TRP 39 HB2 TRP 39 -10.114 4.284 -5.273 326 HB3 TRP 39 HB3 TRP 39 -9.902 3.464 -3.736 327 HD1 TRP 39 HD1 TRP 39 -12.669 4.414 -6.253 328 HE1 TRP 39 HE1 TRP 39 -14.464 2.577 -6.220 329 HE3 TRP 39 HE3 TRP 39 -10.969 1.736 -2.280 330 HZ2 TRP 39 HZ2 TRP 39 -14.962 0.072 -4.714 331 HZ3 TRP 39 HZ3 TRP 39 -12.078 -0.356 -1.575 332 HH2 TRP 39 HH2 TRP 39 -14.014 -1.231 -2.900 333 H GLY 40 H GLY 40 -11.713 7.320 -2.179 334 HA2 GLY 40 HA2 GLY 40 -13.114 7.362 -0.282 335 HA3 GLY 40 HA3 GLY 40 -13.425 5.693 -0.663 336 H GLU 41 H GLU 41 -11.069 7.788 0.930 337 HA GLU 41 HA GLU 41 -9.672 7.605 2.699 338 HB2 GLU 41 HB2 GLU 41 -12.031 5.956 3.556 339 HB3 GLU 41 HB3 GLU 41 -10.581 5.976 4.566 340 HG2 GLU 41 HG2 GLU 41 -12.341 7.570 5.187 341 HG3 GLU 41 HG3 GLU 41 -10.729 8.240 5.017 342 H GLU 42 H GLU 42 -9.280 5.896 0.320 343 HA GLU 42 HA GLU 42 -7.032 4.638 1.578 344 HB2 GLU 42 HB2 GLU 42 -7.209 2.518 0.624 345 HB3 GLU 42 HB3 GLU 42 -8.847 2.880 1.066 346 HG2 GLU 42 HG2 GLU 42 -9.363 2.230 -0.960 347 HG3 GLU 42 HG3 GLU 42 -8.877 3.863 -1.503 348 H ILE 43 H ILE 43 -5.237 4.289 0.080 349 HA ILE 43 HA ILE 43 -5.218 6.096 -2.279 350 HB ILE 43 HB ILE 43 -3.244 5.979 0.021 351 HG12 ILE 43 HG12 ILE 43 -4.256 8.460 -1.406 352 HG13 ILE 43 HG13 ILE 43 -5.234 7.695 -0.155 353 HG21 ILE 43 HG21 ILE 43 -1.709 7.391 -1.375 354 HG22 ILE 43 HG22 ILE 43 -1.855 5.744 -1.971 355 HG23 ILE 43 HG23 ILE 43 -2.747 7.033 -2.789 356 HD11 ILE 43 HD11 ILE 43 -3.376 7.921 1.453 357 HD12 ILE 43 HD12 ILE 43 -2.417 8.792 0.229 358 HD13 ILE 43 HD13 ILE 43 -3.939 9.477 0.833 359 H TYR 44 H TYR 44 -4.800 4.912 -4.013 360 HA TYR 44 HA TYR 44 -3.137 2.471 -3.723 361 HB2 TYR 44 HB2 TYR 44 -4.276 1.465 -5.510 362 HB3 TYR 44 HB3 TYR 44 -5.451 1.929 -4.320 363 HD1 TYR 44 HD1 TYR 44 -7.081 3.735 -4.802 364 HD2 TYR 44 HD2 TYR 44 -4.319 2.342 -7.801 365 HE1 TYR 44 HE1 TYR 44 -8.549 4.631 -6.593 366 HE2 TYR 44 HE2 TYR 44 -5.822 3.160 -9.589 367 HH TYR 44 HH TYR 44 -7.868 5.095 -9.691 368 H PHE 45 H PHE 45 -1.950 1.973 -5.759 369 HA PHE 45 HA PHE 45 -1.510 4.190 -7.600 370 HB2 PHE 45 HB2 PHE 45 1.032 3.821 -7.327 371 HB3 PHE 45 HB3 PHE 45 0.205 4.937 -6.283 372 HD1 PHE 45 HD1 PHE 45 -0.150 4.415 -3.884 373 HD2 PHE 45 HD2 PHE 45 2.049 1.778 -6.486 374 HE1 PHE 45 HE1 PHE 45 0.977 3.421 -1.922 375 HE2 PHE 45 HE2 PHE 45 3.304 0.877 -4.490 376 HZ PHE 45 HZ PHE 45 2.780 1.719 -2.248 377 H SER 46 H SER 46 -0.547 3.421 -9.557 378 HA SER 46 HA SER 46 -1.083 0.589 -10.036 379 HB2 SER 46 HB2 SER 46 -1.687 2.561 -11.567 380 HB3 SER 46 HB3 SER 46 0.034 2.628 -11.999 381 HG SER 46 HG SER 46 -1.393 1.324 -13.342 382 H THR 47 H THR 47 0.500 -0.770 -9.216 383 HA THR 47 HA THR 47 3.256 0.148 -9.077 384 HB THR 47 HB THR 47 3.640 -2.006 -8.091 385 HG1 THR 47 HG1 THR 47 1.882 -3.089 -9.336 386 HG21 THR 47 HG21 THR 47 1.183 -0.714 -6.849 387 HG22 THR 47 HG22 THR 47 2.901 -0.336 -6.542 388 HG23 THR 47 HG23 THR 47 2.239 -1.903 -6.069 389 HA PRO 48 HA PRO 48 4.543 -1.780 -12.859 390 HB2 PRO 48 HB2 PRO 48 7.249 -1.579 -12.582 391 HB3 PRO 48 HB3 PRO 48 6.184 -0.156 -12.797 392 HG2 PRO 48 HG2 PRO 48 7.338 -1.353 -10.281 393 HG3 PRO 48 HG3 PRO 48 7.337 0.369 -10.770 394 HD2 PRO 48 HD2 PRO 48 5.450 -0.641 -9.048 395 HD3 PRO 48 HD3 PRO 48 5.060 0.627 -10.222 396 H VAL 49 H VAL 49 5.345 -3.358 -9.775 397 HA VAL 49 HA VAL 49 6.238 -5.786 -11.225 398 HB VAL 49 HB VAL 49 5.506 -5.551 -8.335 399 HG11 VAL 49 HG11 VAL 49 7.319 -7.568 -9.699 400 HG12 VAL 49 HG12 VAL 49 6.640 -7.618 -8.042 401 HG13 VAL 49 HG13 VAL 49 5.593 -7.836 -9.459 402 HG21 VAL 49 HG21 VAL 49 8.403 -5.605 -9.228 403 HG22 VAL 49 HG22 VAL 49 7.578 -4.077 -8.950 404 HG23 VAL 49 HG23 VAL 49 7.703 -5.228 -7.637 405 H ASN 50 H ASN 50 4.695 -6.733 -12.294 406 HA ASN 50 HA ASN 50 1.836 -6.518 -11.491 407 HB2 ASN 50 HB2 ASN 50 2.468 -5.872 -13.768 408 HB3 ASN 50 HB3 ASN 50 2.987 -7.540 -14.101 409 HD21 ASN 50 HD21 ASN 50 1.191 -6.151 -15.621 410 HD22 ASN 50 HD22 ASN 50 -0.389 -6.914 -15.489 411 H VAL 51 H VAL 51 3.069 -7.859 -9.724 412 HA VAL 51 HA VAL 51 2.765 -10.793 -10.078 413 HB VAL 51 HB VAL 51 4.660 -10.086 -8.766 414 HG11 VAL 51 HG11 VAL 51 3.841 -7.818 -8.049 415 HG12 VAL 51 HG12 VAL 51 2.819 -8.626 -6.842 416 HG13 VAL 51 HG13 VAL 51 4.596 -8.811 -6.797 417 HG21 VAL 51 HG21 VAL 51 2.534 -11.118 -6.866 418 HG22 VAL 51 HG22 VAL 51 3.617 -12.081 -7.898 419 HG23 VAL 51 HG23 VAL 51 4.269 -11.120 -6.575 420 H GLN 52 H GLN 52 1.096 -11.924 -8.880 421 HA GLN 52 HA GLN 52 -0.750 -10.227 -7.411 422 HB2 GLN 52 HB2 GLN 52 -2.658 -11.176 -8.276 423 HB3 GLN 52 HB3 GLN 52 -1.770 -10.223 -9.474 424 HG2 GLN 52 HG2 GLN 52 -1.175 -13.088 -9.413 425 HG3 GLN 52 HG3 GLN 52 -2.896 -12.694 -9.682 426 HE21 GLN 52 HE21 GLN 52 -0.170 -10.677 -10.895 427 HE22 GLN 52 HE22 GLN 52 -0.514 -10.965 -12.574 428 H LYS 53 H LYS 53 1.264 -12.822 -7.134 429 HA LYS 53 HA LYS 53 -0.308 -14.732 -5.769 430 HB2 LYS 53 HB2 LYS 53 1.791 -15.211 -6.720 431 HB3 LYS 53 HB3 LYS 53 2.639 -14.015 -5.730 432 HG2 LYS 53 HG2 LYS 53 2.406 -15.355 -3.756 433 HG3 LYS 53 HG3 LYS 53 1.244 -16.442 -4.530 434 HD2 LYS 53 HD2 LYS 53 2.952 -17.304 -6.063 435 HD3 LYS 53 HD3 LYS 53 4.106 -16.083 -5.519 436 HE2 LYS 53 HE2 LYS 53 4.818 -17.950 -4.345 437 HE3 LYS 53 HE3 LYS 53 3.861 -17.067 -3.166 438 HZ1 LYS 53 HZ1 LYS 53 3.131 -19.543 -4.579 439 HZ2 LYS 53 HZ2 LYS 53 1.996 -18.639 -3.757 440 HZ3 LYS 53 HZ3 LYS 53 3.255 -19.244 -2.967 441 H MET 54 H MET 54 -1.666 -14.138 -4.115 442 HA MET 54 HA MET 54 -0.586 -12.532 -1.884 443 HB2 MET 54 HB2 MET 54 -2.872 -12.687 -0.934 444 HB3 MET 54 HB3 MET 54 -2.632 -11.603 -2.292 445 HG2 MET 54 HG2 MET 54 -3.811 -14.380 -2.572 446 HG3 MET 54 HG3 MET 54 -4.761 -12.959 -2.143 447 HE1 MET 54 HE1 MET 54 -5.950 -13.777 -5.656 448 HE2 MET 54 HE2 MET 54 -5.510 -14.801 -4.273 449 HE3 MET 54 HE3 MET 54 -6.428 -13.305 -4.002 450 H GLU 55 H GLU 55 0.267 -13.621 -0.172 451 HA GLU 55 HA GLU 55 -0.574 -16.444 0.328 452 HB2 GLU 55 HB2 GLU 55 1.855 -14.885 0.536 453 HB3 GLU 55 HB3 GLU 55 1.493 -15.580 2.116 454 HG2 GLU 55 HG2 GLU 55 1.538 -17.100 -0.520 455 HG3 GLU 55 HG3 GLU 55 2.915 -16.969 0.560 456 H ASN 56 H ASN 56 -0.894 -13.239 1.723 457 HA ASN 56 HA ASN 56 -2.276 -14.510 4.066 458 HB2 ASN 56 HB2 ASN 56 -0.219 -13.268 4.689 459 HB3 ASN 56 HB3 ASN 56 -0.902 -11.800 3.974 460 HD21 ASN 56 HD21 ASN 56 -0.779 -10.744 6.142 461 HD22 ASN 56 HD22 ASN 56 -1.862 -11.292 7.393 462 HA PRO 57 HA PRO 57 -5.202 -12.031 1.348 463 HB2 PRO 57 HB2 PRO 57 -7.100 -13.920 0.770 464 HB3 PRO 57 HB3 PRO 57 -5.653 -13.619 -0.236 465 HG2 PRO 57 HG2 PRO 57 -6.025 -15.744 1.894 466 HG3 PRO 57 HG3 PRO 57 -5.357 -15.937 0.241 467 HD2 PRO 57 HD2 PRO 57 -3.753 -15.652 2.396 468 HD3 PRO 57 HD3 PRO 57 -3.342 -14.894 0.820 469 H ARG 58 H ARG 58 -6.649 -10.872 2.479 470 HA ARG 58 HA ARG 58 -8.102 -12.039 4.791 471 HB2 ARG 58 HB2 ARG 58 -6.436 -9.484 4.707 472 HB3 ARG 58 HB3 ARG 58 -7.578 -9.856 5.982 473 HG2 ARG 58 HG2 ARG 58 -5.166 -11.631 5.393 474 HG3 ARG 58 HG3 ARG 58 -5.142 -10.255 6.481 475 HD2 ARG 58 HD2 ARG 58 -7.223 -11.455 7.591 476 HD3 ARG 58 HD3 ARG 58 -6.532 -12.884 6.818 477 HE ARG 58 HE ARG 58 -4.669 -11.132 8.295 478 HH11 ARG 58 HH11 ARG 58 -6.324 -14.230 8.368 479 HH12 ARG 58 HH12 ARG 58 -5.802 -14.655 9.955 480 HH21 ARG 58 HH21 ARG 58 -3.710 -11.774 10.241 481 HH22 ARG 58 HH22 ARG 58 -4.049 -13.340 10.882 482 H GLU 59 H GLU 59 -10.218 -11.471 4.590 483 HA GLU 59 HA GLU 59 -10.943 -9.347 2.641 484 HB2 GLU 59 HB2 GLU 59 -12.592 -11.418 4.126 485 HB3 GLU 59 HB3 GLU 59 -13.267 -10.189 3.054 486 HG2 GLU 59 HG2 GLU 59 -12.156 -11.069 1.122 487 HG3 GLU 59 HG3 GLU 59 -11.136 -12.128 2.093 488 H VAL 60 H VAL 60 -10.018 -9.251 5.843 489 HA VAL 60 HA VAL 60 -11.575 -6.798 6.312 490 HB VAL 60 HB VAL 60 -11.350 -9.053 8.371 491 HG11 VAL 60 HG11 VAL 60 -12.688 -7.653 9.824 492 HG12 VAL 60 HG12 VAL 60 -11.176 -6.829 9.448 493 HG13 VAL 60 HG13 VAL 60 -12.677 -6.331 8.640 494 HG21 VAL 60 HG21 VAL 60 -13.820 -7.941 7.055 495 HG22 VAL 60 HG22 VAL 60 -13.131 -9.549 6.766 496 HG23 VAL 60 HG23 VAL 60 -13.773 -9.138 8.358 497 H VAL 61 H VAL 61 -10.271 -5.239 7.425 498 HA VAL 61 HA VAL 61 -7.476 -5.976 8.058 499 HB VAL 61 HB VAL 61 -6.667 -4.183 6.605 500 HG11 VAL 61 HG11 VAL 61 -6.953 -5.218 4.428 501 HG12 VAL 61 HG12 VAL 61 -6.825 -6.486 5.659 502 HG13 VAL 61 HG13 VAL 61 -8.404 -6.078 4.952 503 HG21 VAL 61 HG21 VAL 61 -9.588 -3.841 5.774 504 HG22 VAL 61 HG22 VAL 61 -8.517 -2.645 6.535 505 HG23 VAL 61 HG23 VAL 61 -8.217 -3.172 4.879 506 H GLU 62 H GLU 62 -6.346 -3.828 8.883 507 HA GLU 62 HA GLU 62 -8.213 -2.459 10.751 508 HB2 GLU 62 HB2 GLU 62 -5.192 -2.512 10.837 509 HB3 GLU 62 HB3 GLU 62 -6.300 -1.969 12.097 510 HG2 GLU 62 HG2 GLU 62 -7.185 -4.274 12.299 511 HG3 GLU 62 HG3 GLU 62 -5.951 -4.804 11.158 512 H ILE 63 H ILE 63 -6.939 -0.228 11.338 513 HA ILE 63 HA ILE 63 -7.370 1.366 8.913 514 HB ILE 63 HB ILE 63 -6.983 2.313 11.830 515 HG12 ILE 63 HG12 ILE 63 -9.606 1.883 10.332 516 HG13 ILE 63 HG13 ILE 63 -8.985 0.728 11.517 517 HG21 ILE 63 HG21 ILE 63 -8.427 4.306 10.921 518 HG22 ILE 63 HG22 ILE 63 -6.786 4.221 10.360 519 HG23 ILE 63 HG23 ILE 63 -8.102 3.672 9.316 520 HD11 ILE 63 HD11 ILE 63 -10.018 3.519 12.114 521 HD12 ILE 63 HD12 ILE 63 -10.636 1.963 12.652 522 HD13 ILE 63 HD13 ILE 63 -9.085 2.544 13.269 523 H GLY 64 H GLY 64 -4.719 -0.053 10.045 524 HA2 GLY 64 HA2 GLY 64 -2.884 1.951 8.890 525 HA3 GLY 64 HA3 GLY 64 -2.607 1.447 10.555 526 H ASP 65 H ASP 65 -3.662 -0.408 7.672 527 HA ASP 65 HA ASP 65 -1.211 -2.149 7.839 528 HB2 ASP 65 HB2 ASP 65 -4.040 -2.798 7.034 529 HB3 ASP 65 HB3 ASP 65 -2.708 -3.939 6.957 530 H VAL 66 H VAL 66 -1.070 -3.351 5.573 531 HA VAL 66 HA VAL 66 -1.948 -1.545 3.322 532 HB VAL 66 HB VAL 66 0.697 -2.998 3.851 533 HG11 VAL 66 HG11 VAL 66 0.324 -3.383 1.573 534 HG12 VAL 66 HG12 VAL 66 -0.297 -1.742 1.304 535 HG13 VAL 66 HG13 VAL 66 1.420 -2.008 1.655 536 HG21 VAL 66 HG21 VAL 66 -0.091 -0.106 3.424 537 HG22 VAL 66 HG22 VAL 66 0.365 -0.826 4.977 538 HG23 VAL 66 HG23 VAL 66 1.575 -0.679 3.698 539 H GLY 67 H GLY 67 -2.650 -2.626 1.466 540 HA2 GLY 67 HA2 GLY 67 -2.644 -5.582 1.544 541 HA3 GLY 67 HA3 GLY 67 -4.174 -4.736 1.279 542 H TYR 68 H TYR 68 -2.440 -6.520 -0.634 543 HA TYR 68 HA TYR 68 -1.865 -4.501 -2.772 544 HB2 TYR 68 HB2 TYR 68 -0.339 -6.515 -2.275 545 HB3 TYR 68 HB3 TYR 68 -1.657 -7.515 -2.863 546 HD1 TYR 68 HD1 TYR 68 0.420 -4.573 -3.912 547 HD2 TYR 68 HD2 TYR 68 -1.879 -8.016 -5.100 548 HE1 TYR 68 HE1 TYR 68 1.144 -4.244 -6.263 549 HE2 TYR 68 HE2 TYR 68 -1.088 -7.771 -7.412 550 HH TYR 68 HH TYR 68 0.627 -6.872 -8.625 551 H TRP 69 H TRP 69 -3.157 -4.364 -4.655 552 HA TRP 69 HA TRP 69 -5.701 -5.861 -4.559 553 HB2 TRP 69 HB2 TRP 69 -5.846 -3.385 -4.126 554 HB3 TRP 69 HB3 TRP 69 -5.393 -3.143 -5.806 555 HD1 TRP 69 HD1 TRP 69 -7.943 -5.476 -4.006 556 HE1 TRP 69 HE1 TRP 69 -10.248 -5.223 -5.092 557 HE3 TRP 69 HE3 TRP 69 -6.839 -1.916 -7.500 558 HZ2 TRP 69 HZ2 TRP 69 -11.477 -3.670 -7.135 559 HZ3 TRP 69 HZ3 TRP 69 -8.648 -0.906 -8.826 560 HH2 TRP 69 HH2 TRP 69 -10.973 -1.813 -8.712 561 HA PRO 70 HA PRO 70 -3.338 -7.268 -8.170 562 HB2 PRO 70 HB2 PRO 70 -4.292 -9.825 -8.368 563 HB3 PRO 70 HB3 PRO 70 -3.062 -9.266 -7.198 564 HG2 PRO 70 HG2 PRO 70 -5.946 -9.855 -6.669 565 HG3 PRO 70 HG3 PRO 70 -4.523 -10.131 -5.636 566 HD2 PRO 70 HD2 PRO 70 -6.258 -7.913 -5.471 567 HD3 PRO 70 HD3 PRO 70 -4.728 -8.027 -4.726 568 HA PRO 71 HA PRO 71 -7.308 -7.878 -10.771 569 HB2 PRO 71 HB2 PRO 71 -9.753 -6.977 -9.923 570 HB3 PRO 71 HB3 PRO 71 -9.095 -8.577 -9.460 571 HG2 PRO 71 HG2 PRO 71 -9.059 -6.011 -7.872 572 HG3 PRO 71 HG3 PRO 71 -9.351 -7.678 -7.229 573 HD2 PRO 71 HD2 PRO 71 -7.065 -6.510 -6.980 574 HD3 PRO 71 HD3 PRO 71 -7.304 -8.287 -7.199 575 H GLY 72 H GLY 72 -6.328 -5.020 -9.134 576 HA2 GLY 72 HA2 GLY 72 -6.811 -3.383 -11.582 577 HA3 GLY 72 HA3 GLY 72 -6.825 -2.729 -9.945 578 H LYS 73 H LYS 73 -4.442 -5.143 -10.142 579 HA LYS 73 HA LYS 73 -2.165 -5.085 -10.088 580 HB2 LYS 73 HB2 LYS 73 -2.899 -3.620 -12.587 581 HB3 LYS 73 HB3 LYS 73 -1.326 -3.213 -12.008 582 HG2 LYS 73 HG2 LYS 73 -0.590 -4.922 -13.136 583 HG3 LYS 73 HG3 LYS 73 -1.105 -5.922 -11.785 584 HD2 LYS 73 HD2 LYS 73 -2.769 -5.292 -14.259 585 HD3 LYS 73 HD3 LYS 73 -1.787 -6.736 -14.049 586 HE2 LYS 73 HE2 LYS 73 -3.208 -7.736 -12.560 587 HE3 LYS 73 HE3 LYS 73 -3.649 -6.206 -11.813 588 HZ1 LYS 73 HZ1 LYS 73 -5.521 -7.152 -12.935 589 HZ2 LYS 73 HZ2 LYS 73 -4.761 -7.182 -14.366 590 HZ3 LYS 73 HZ3 LYS 73 -5.104 -5.735 -13.656 591 H ALA 74 H ALA 74 -3.405 -3.482 -8.027 592 HA ALA 74 HA ALA 74 -1.624 -1.115 -7.984 593 HB1 ALA 74 HB1 ALA 74 -4.528 -1.206 -7.077 594 HB2 ALA 74 HB2 ALA 74 -3.452 0.198 -7.133 595 HB3 ALA 74 HB3 ALA 74 -3.987 -0.549 -8.645 596 H LEU 75 H LEU 75 -1.521 -0.167 -5.802 597 HA LEU 75 HA LEU 75 -1.330 -2.177 -3.639 598 HB2 LEU 75 HB2 LEU 75 0.263 -0.036 -4.114 599 HB3 LEU 75 HB3 LEU 75 -0.987 0.778 -3.189 600 HG LEU 75 HG LEU 75 -0.568 -1.467 -1.616 601 HD11 LEU 75 HD11 LEU 75 1.833 -1.933 -1.510 602 HD12 LEU 75 HD12 LEU 75 2.115 -0.818 -2.870 603 HD13 LEU 75 HD13 LEU 75 1.171 -2.313 -3.114 604 HD21 LEU 75 HD21 LEU 75 -0.127 1.252 -1.240 605 HD22 LEU 75 HD22 LEU 75 1.454 0.513 -0.891 606 HD23 LEU 75 HD23 LEU 75 0.007 -0.015 -0.038 607 H CYS 76 H CYS 76 -2.258 -0.962 -1.411 608 HA CYS 76 HA CYS 76 -4.557 0.697 -1.755 609 HB2 CYS 76 HB2 CYS 76 -5.345 -1.785 -1.960 610 HB3 CYS 76 HB3 CYS 76 -4.886 -1.936 -0.245 611 HG CYS 76 HG CYS 76 -6.747 0.458 -1.571 612 H LEU 77 H LEU 77 -4.736 1.903 0.164 613 HA LEU 77 HA LEU 77 -2.998 1.264 2.522 614 HB2 LEU 77 HB2 LEU 77 -3.178 3.855 0.913 615 HB3 LEU 77 HB3 LEU 77 -2.726 3.894 2.597 616 HG LEU 77 HG LEU 77 -1.194 2.246 0.549 617 HD11 LEU 77 HD11 LEU 77 -1.113 4.619 -0.105 618 HD12 LEU 77 HD12 LEU 77 0.458 4.101 0.524 619 HD13 LEU 77 HD13 LEU 77 -0.626 5.085 1.538 620 HD21 LEU 77 HD21 LEU 77 0.534 2.180 2.215 621 HD22 LEU 77 HD22 LEU 77 -0.972 1.748 3.041 622 HD23 LEU 77 HD23 LEU 77 -0.314 3.366 3.242 623 H PHE 78 H PHE 78 -4.627 0.908 4.098 624 HA PHE 78 HA PHE 78 -7.121 2.471 3.823 625 HB2 PHE 78 HB2 PHE 78 -6.416 0.390 5.939 626 HB3 PHE 78 HB3 PHE 78 -8.016 0.975 5.505 627 HD1 PHE 78 HD1 PHE 78 -8.890 0.498 3.154 628 HD2 PHE 78 HD2 PHE 78 -5.390 -1.443 4.766 629 HE1 PHE 78 HE1 PHE 78 -9.045 -1.250 1.395 630 HE2 PHE 78 HE2 PHE 78 -5.515 -3.136 2.951 631 HZ PHE 78 HZ PHE 78 -7.294 -3.023 1.264 632 H PHE 79 H PHE 79 -7.565 4.265 5.065 633 HA PHE 79 HA PHE 79 -6.266 4.392 7.729 634 HB2 PHE 79 HB2 PHE 79 -5.576 6.723 7.334 635 HB3 PHE 79 HB3 PHE 79 -4.678 5.481 6.572 636 HD1 PHE 79 HD1 PHE 79 -4.899 5.218 4.048 637 HD2 PHE 79 HD2 PHE 79 -6.963 8.367 6.154 638 HE1 PHE 79 HE1 PHE 79 -5.276 6.353 1.912 639 HE2 PHE 79 HE2 PHE 79 -7.419 9.489 3.952 640 HZ PHE 79 HZ PHE 79 -6.566 8.514 1.845 641 H GLY 80 H GLY 80 -9.305 4.509 6.369 642 HA2 GLY 80 HA2 GLY 80 -10.194 5.178 8.960 643 HA3 GLY 80 HA3 GLY 80 -10.330 6.659 8.033 644 H LYS 81 H LYS 81 -11.066 3.263 7.505 645 HA LYS 81 HA LYS 81 -12.978 2.105 7.002 646 HB2 LYS 81 HB2 LYS 81 -14.159 4.369 8.145 647 HB3 LYS 81 HB3 LYS 81 -14.849 4.372 6.542 648 HG2 LYS 81 HG2 LYS 81 -14.851 1.826 8.193 649 HG3 LYS 81 HG3 LYS 81 -15.893 3.155 8.677 650 HD2 LYS 81 HD2 LYS 81 -16.970 3.136 6.425 651 HD3 LYS 81 HD3 LYS 81 -15.922 1.774 6.010 652 HE2 LYS 81 HE2 LYS 81 -18.061 0.835 6.642 653 HE3 LYS 81 HE3 LYS 81 -16.931 0.483 7.950 654 HZ1 LYS 81 HZ1 LYS 81 -17.908 2.526 9.065 655 HZ2 LYS 81 HZ2 LYS 81 -18.897 1.212 8.886 656 HZ3 LYS 81 HZ3 LYS 81 -19.100 2.471 7.903 657 H THR 82 H THR 82 -14.553 2.167 4.826 658 HA THR 82 HA THR 82 -13.365 3.625 2.624 659 HB THR 82 HB THR 82 -13.322 1.062 1.572 660 HG1 THR 82 HG1 THR 82 -12.862 -0.414 2.974 661 HG21 THR 82 HG21 THR 82 -10.992 2.629 2.749 662 HG22 THR 82 HG22 THR 82 -11.536 2.543 1.090 663 HG23 THR 82 HG23 THR 82 -10.794 1.122 1.804 664 HA PRO 83 HA PRO 83 -17.606 3.272 1.464 665 HB2 PRO 83 HB2 PRO 83 -17.630 3.029 -1.276 666 HB3 PRO 83 HB3 PRO 83 -17.129 4.522 -0.423 667 HG2 PRO 83 HG2 PRO 83 -15.332 2.322 -1.501 668 HG3 PRO 83 HG3 PRO 83 -15.187 4.091 -1.753 669 HD2 PRO 83 HD2 PRO 83 -13.749 2.843 0.159 670 HD3 PRO 83 HD3 PRO 83 -14.494 4.433 0.507 671 H MET 84 H MET 84 -15.501 0.726 0.249 672 HA MET 84 HA MET 84 -17.608 -1.185 -0.171 673 HB2 MET 84 HB2 MET 84 -15.124 -0.857 -1.119 674 HB3 MET 84 HB3 MET 84 -14.733 -2.054 0.106 675 HG2 MET 84 HG2 MET 84 -17.067 -2.408 -1.814 676 HG3 MET 84 HG3 MET 84 -15.438 -2.753 -2.350 677 HE1 MET 84 HE1 MET 84 -18.416 -4.504 -1.733 678 HE2 MET 84 HE2 MET 84 -17.151 -5.056 -2.862 679 HE3 MET 84 HE3 MET 84 -17.682 -6.107 -1.528 680 H SER 85 H SER 85 -17.757 -0.023 2.475 681 HA SER 85 HA SER 85 -18.038 -2.520 3.800 682 HB2 SER 85 HB2 SER 85 -16.906 -1.637 5.940 683 HB3 SER 85 HB3 SER 85 -15.911 -2.390 4.673 684 HG SER 85 HG SER 85 -15.869 0.069 4.042 685 H ASP 86 H ASP 86 -19.239 -2.360 5.855 686 HA ASP 86 HA ASP 86 -20.573 0.237 6.286 687 HB2 ASP 86 HB2 ASP 86 -21.905 -1.541 4.826 688 HB3 ASP 86 HB3 ASP 86 -22.227 -2.292 6.395 689 H ASP 87 H ASP 87 -20.280 -3.129 7.421 690 HA ASP 87 HA ASP 87 -20.586 -2.356 10.181 691 HB2 ASP 87 HB2 ASP 87 -19.817 -5.058 8.956 692 HB3 ASP 87 HB3 ASP 87 -20.282 -4.772 10.632 693 H LYS 88 H LYS 88 -18.029 -3.980 8.382 694 HA LYS 88 HA LYS 88 -16.018 -3.192 10.432 695 HB2 LYS 88 HB2 LYS 88 -15.016 -5.350 10.302 696 HB3 LYS 88 HB3 LYS 88 -16.724 -5.565 10.663 697 HG2 LYS 88 HG2 LYS 88 -16.945 -5.924 8.024 698 HG3 LYS 88 HG3 LYS 88 -15.198 -6.172 8.117 699 HD2 LYS 88 HD2 LYS 88 -15.995 -8.386 8.433 700 HD3 LYS 88 HD3 LYS 88 -15.801 -7.827 10.075 701 HE2 LYS 88 HE2 LYS 88 -17.935 -8.757 10.154 702 HE3 LYS 88 HE3 LYS 88 -18.268 -7.025 9.999 703 HZ1 LYS 88 HZ1 LYS 88 -19.689 -8.311 8.558 704 HZ2 LYS 88 HZ2 LYS 88 -18.433 -9.047 7.817 705 HZ3 LYS 88 HZ3 LYS 88 -18.688 -7.468 7.582 706 H ILE 89 H ILE 89 -13.948 -2.705 9.565 707 HA ILE 89 HA ILE 89 -13.999 -1.398 7.038 708 HB ILE 89 HB ILE 89 -11.778 -2.228 8.946 709 HG12 ILE 89 HG12 ILE 89 -12.847 0.555 8.365 710 HG13 ILE 89 HG13 ILE 89 -13.633 -0.441 9.569 711 HG21 ILE 89 HG21 ILE 89 -10.783 -1.962 6.735 712 HG22 ILE 89 HG22 ILE 89 -11.581 -0.399 6.492 713 HG23 ILE 89 HG23 ILE 89 -10.316 -0.587 7.719 714 HD11 ILE 89 HD11 ILE 89 -11.732 -0.489 10.990 715 HD12 ILE 89 HD12 ILE 89 -10.682 0.144 9.722 716 HD13 ILE 89 HD13 ILE 89 -11.922 1.197 10.424 717 H GLN 90 H GLN 90 -13.949 -2.336 5.046 718 HA GLN 90 HA GLN 90 -12.390 -4.768 4.767 719 HB2 GLN 90 HB2 GLN 90 -15.209 -4.485 3.675 720 HB3 GLN 90 HB3 GLN 90 -14.029 -5.645 3.075 721 HG2 GLN 90 HG2 GLN 90 -13.757 -6.402 5.524 722 HG3 GLN 90 HG3 GLN 90 -15.218 -5.539 5.854 723 HE21 GLN 90 HE21 GLN 90 -15.725 -7.936 6.476 724 HE22 GLN 90 HE22 GLN 90 -16.536 -8.868 5.223 725 HA PRO 91 HA PRO 91 -10.802 -2.781 1.081 726 HB2 PRO 91 HB2 PRO 91 -9.717 -5.038 -0.059 727 HB3 PRO 91 HB3 PRO 91 -8.990 -4.177 1.332 728 HG2 PRO 91 HG2 PRO 91 -10.642 -6.684 1.401 729 HG3 PRO 91 HG3 PRO 91 -9.197 -6.286 2.376 730 HD2 PRO 91 HD2 PRO 91 -11.700 -6.086 3.274 731 HD3 PRO 91 HD3 PRO 91 -10.378 -5.007 3.825 732 H ALA 92 H ALA 92 -10.711 -3.269 -1.325 733 HA ALA 92 HA ALA 92 -13.319 -3.730 -2.336 734 HB1 ALA 92 HB1 ALA 92 -10.620 -3.348 -3.721 735 HB2 ALA 92 HB2 ALA 92 -12.207 -3.152 -4.507 736 HB3 ALA 92 HB3 ALA 92 -11.664 -2.052 -3.230 737 H SER 93 H SER 93 -11.071 -6.085 -1.527 738 HA SER 93 HA SER 93 -12.355 -8.211 -2.800 739 HB2 SER 93 HB2 SER 93 -11.093 -7.257 -4.823 740 HB3 SER 93 HB3 SER 93 -9.591 -7.561 -3.955 741 HG SER 93 HG SER 93 -11.495 -9.387 -4.979 742 H ALA 94 H ALA 94 -10.613 -10.141 -2.574 743 HA ALA 94 HA ALA 94 -9.484 -10.191 0.128 744 HB1 ALA 94 HB1 ALA 94 -10.379 -12.238 -0.854 745 HB2 ALA 94 HB2 ALA 94 -9.236 -12.105 -2.218 746 HB3 ALA 94 HB3 ALA 94 -8.634 -12.417 -0.576 747 H VAL 95 H VAL 95 -8.286 -8.168 -0.259 748 HA VAL 95 HA VAL 95 -5.671 -8.363 -1.570 749 HB VAL 95 HB VAL 95 -5.133 -6.309 -0.421 750 HG11 VAL 95 HG11 VAL 95 -6.691 -4.836 -1.438 751 HG12 VAL 95 HG12 VAL 95 -6.719 -6.318 -2.418 752 HG13 VAL 95 HG13 VAL 95 -8.029 -6.005 -1.273 753 HG21 VAL 95 HG21 VAL 95 -5.966 -6.591 1.796 754 HG22 VAL 95 HG22 VAL 95 -6.849 -5.223 1.114 755 HG23 VAL 95 HG23 VAL 95 -7.603 -6.838 1.198 756 H ASN 96 H ASN 96 -3.814 -7.858 0.263 757 HA ASN 96 HA ASN 96 -4.014 -10.037 2.218 758 HB2 ASN 96 HB2 ASN 96 -1.739 -10.712 1.415 759 HB3 ASN 96 HB3 ASN 96 -3.048 -10.987 0.275 760 HD21 ASN 96 HD21 ASN 96 -0.235 -10.964 -0.611 761 HD22 ASN 96 HD22 ASN 96 -0.222 -9.582 -1.675 762 H VAL 97 H VAL 97 -3.223 -9.553 4.203 763 HA VAL 97 HA VAL 97 -2.042 -6.916 4.514 764 HB VAL 97 HB VAL 97 -2.574 -8.961 6.696 765 HG11 VAL 97 HG11 VAL 97 -2.564 -6.850 8.133 766 HG12 VAL 97 HG12 VAL 97 -0.985 -7.245 7.470 767 HG13 VAL 97 HG13 VAL 97 -1.951 -5.979 6.724 768 HG21 VAL 97 HG21 VAL 97 -4.286 -6.627 5.797 769 HG22 VAL 97 HG22 VAL 97 -4.671 -8.311 5.523 770 HG23 VAL 97 HG23 VAL 97 -4.609 -7.688 7.166 771 H ILE 98 H ILE 98 -0.273 -7.455 3.134 772 HA ILE 98 HA ILE 98 1.861 -9.174 4.220 773 HB ILE 98 HB ILE 98 2.993 -8.679 2.065 774 HG12 ILE 98 HG12 ILE 98 0.482 -7.089 1.341 775 HG13 ILE 98 HG13 ILE 98 2.070 -6.407 1.682 776 HG21 ILE 98 HG21 ILE 98 1.560 -10.112 0.768 777 HG22 ILE 98 HG22 ILE 98 1.385 -10.596 2.464 778 HG23 ILE 98 HG23 ILE 98 0.134 -9.604 1.704 779 HD11 ILE 98 HD11 ILE 98 2.998 -7.777 -0.171 780 HD12 ILE 98 HD12 ILE 98 1.323 -8.218 -0.625 781 HD13 ILE 98 HD13 ILE 98 1.852 -6.531 -0.685 782 H GLY 99 H GLY 99 0.934 -5.875 4.420 783 HA2 GLY 99 HA2 GLY 99 3.601 -5.182 5.388 784 HA3 GLY 99 HA3 GLY 99 2.835 -4.161 4.154 785 H LYS 100 H LYS 100 3.411 -2.893 6.537 786 HA LYS 100 HA LYS 100 0.704 -2.478 7.632 787 HB2 LYS 100 HB2 LYS 100 2.866 -3.452 8.911 788 HB3 LYS 100 HB3 LYS 100 2.977 -1.732 9.410 789 HG2 LYS 100 HG2 LYS 100 1.680 -2.355 11.034 790 HG3 LYS 100 HG3 LYS 100 0.402 -2.062 9.896 791 HD2 LYS 100 HD2 LYS 100 0.563 -4.473 9.171 792 HD3 LYS 100 HD3 LYS 100 1.661 -4.716 10.551 793 HE2 LYS 100 HE2 LYS 100 -1.044 -3.419 11.001 794 HE3 LYS 100 HE3 LYS 100 -1.051 -5.160 10.669 795 HZ1 LYS 100 HZ1 LYS 100 0.554 -3.938 12.822 796 HZ2 LYS 100 HZ2 LYS 100 0.201 -5.547 12.616 797 HZ3 LYS 100 HZ3 LYS 100 -0.971 -4.481 13.044 798 H ILE 101 H ILE 101 0.595 -0.184 8.694 799 HA ILE 101 HA ILE 101 2.288 1.708 7.193 800 HB ILE 101 HB ILE 101 -0.475 2.111 8.407 801 HG12 ILE 101 HG12 ILE 101 0.353 2.177 5.476 802 HG13 ILE 101 HG13 ILE 101 -0.487 0.849 6.259 803 HG21 ILE 101 HG21 ILE 101 1.444 4.049 7.086 804 HG22 ILE 101 HG22 ILE 101 -0.270 4.450 7.257 805 HG23 ILE 101 HG23 ILE 101 0.719 4.199 8.664 806 HD11 ILE 101 HD11 ILE 101 -1.639 3.586 5.686 807 HD12 ILE 101 HD12 ILE 101 -2.198 2.003 5.143 808 HD13 ILE 101 HD13 ILE 101 -2.364 2.460 6.844 809 H VAL 102 H VAL 102 3.712 0.927 8.538 810 HA VAL 102 HA VAL 102 3.922 1.143 11.198 811 HB VAL 102 HB VAL 102 5.475 0.491 9.058 812 HG11 VAL 102 HG11 VAL 102 7.312 2.501 10.045 813 HG12 VAL 102 HG12 VAL 102 7.587 1.189 8.936 814 HG13 VAL 102 HG13 VAL 102 6.436 2.414 8.511 815 HG21 VAL 102 HG21 VAL 102 6.899 -0.700 10.500 816 HG22 VAL 102 HG22 VAL 102 6.208 0.188 11.869 817 HG23 VAL 102 HG23 VAL 102 5.103 -0.752 10.745 818 H GLU 103 H GLU 103 4.449 3.707 8.895 819 HA GLU 103 HA GLU 103 4.012 5.754 10.962 820 HB2 GLU 103 HB2 GLU 103 6.535 5.631 9.282 821 HB3 GLU 103 HB3 GLU 103 5.838 7.149 9.648 822 HG2 GLU 103 HG2 GLU 103 5.912 5.903 12.088 823 HG3 GLU 103 HG3 GLU 103 7.368 5.385 11.274 824 H GLY 104 H GLY 104 3.392 7.836 10.025 825 HA2 GLY 104 HA2 GLY 104 2.408 9.064 8.230 826 HA3 GLY 104 HA3 GLY 104 2.885 7.790 7.262 827 H LEU 105 H LEU 105 0.634 8.103 10.000 828 HA LEU 105 HA LEU 105 -1.472 6.777 8.356 829 HB2 LEU 105 HB2 LEU 105 -0.904 6.271 10.972 830 HB3 LEU 105 HB3 LEU 105 -2.034 7.585 11.201 831 HG LEU 105 HG LEU 105 -3.399 5.746 11.217 832 HD11 LEU 105 HD11 LEU 105 -4.475 7.213 9.835 833 HD12 LEU 105 HD12 LEU 105 -4.785 5.520 9.375 834 HD13 LEU 105 HD13 LEU 105 -3.675 6.502 8.394 835 HD21 LEU 105 HD21 LEU 105 -1.419 4.250 10.160 836 HD22 LEU 105 HD22 LEU 105 -2.441 4.455 8.696 837 HD23 LEU 105 HD23 LEU 105 -3.100 3.757 10.190 838 H GLU 106 H GLU 106 -1.136 9.587 10.644 839 HA GLU 106 HA GLU 106 -3.612 10.538 9.877 840 HB2 GLU 106 HB2 GLU 106 -1.452 12.331 11.049 841 HB3 GLU 106 HB3 GLU 106 -3.198 12.439 11.237 842 HG2 GLU 106 HG2 GLU 106 -3.033 10.217 12.536 843 HG3 GLU 106 HG3 GLU 106 -1.279 10.472 12.510 844 H ASP 107 H ASP 107 -0.448 11.072 8.584 845 HA ASP 107 HA ASP 107 -0.840 13.473 6.993 846 HB2 ASP 107 HB2 ASP 107 1.332 11.831 7.781 847 HB3 ASP 107 HB3 ASP 107 1.299 11.789 6.040 848 H LEU 108 H LEU 108 -2.297 10.472 6.579 849 HA LEU 108 HA LEU 108 -2.057 10.456 3.651 850 HB2 LEU 108 HB2 LEU 108 -3.677 8.736 5.534 851 HB3 LEU 108 HB3 LEU 108 -3.623 8.541 3.784 852 HG LEU 108 HG LEU 108 -1.162 8.380 5.564 853 HD11 LEU 108 HD11 LEU 108 -2.772 6.578 6.069 854 HD12 LEU 108 HD12 LEU 108 -1.302 5.967 5.341 855 HD13 LEU 108 HD13 LEU 108 -2.751 6.094 4.346 856 HD21 LEU 108 HD21 LEU 108 -0.606 8.934 3.216 857 HD22 LEU 108 HD22 LEU 108 -1.548 7.512 2.665 858 HD23 LEU 108 HD23 LEU 108 -0.085 7.311 3.636 859 H LYS 109 H LYS 109 -4.564 11.468 6.081 860 HA LYS 109 HA LYS 109 -6.684 11.756 4.280 861 HB2 LYS 109 HB2 LYS 109 -6.081 13.558 6.649 862 HB3 LYS 109 HB3 LYS 109 -7.648 13.249 5.897 863 HG2 LYS 109 HG2 LYS 109 -8.042 11.771 7.437 864 HG3 LYS 109 HG3 LYS 109 -6.909 10.695 6.657 865 HD2 LYS 109 HD2 LYS 109 -5.275 11.038 8.244 866 HD3 LYS 109 HD3 LYS 109 -5.725 12.716 8.593 867 HE2 LYS 109 HE2 LYS 109 -7.613 10.495 9.272 868 HE3 LYS 109 HE3 LYS 109 -6.210 10.766 10.313 869 HZ1 LYS 109 HZ1 LYS 109 -6.874 12.980 10.736 870 HZ2 LYS 109 HZ2 LYS 109 -8.121 12.024 11.105 871 HZ3 LYS 109 HZ3 LYS 109 -8.153 12.921 9.694 872 H LYS 110 H LYS 110 -3.849 13.587 4.307 873 HA LYS 110 HA LYS 110 -5.037 16.070 3.213 874 HB2 LYS 110 HB2 LYS 110 -2.846 17.069 3.920 875 HB3 LYS 110 HB3 LYS 110 -3.866 16.499 5.214 876 HG2 LYS 110 HG2 LYS 110 -2.105 15.375 6.044 877 HG3 LYS 110 HG3 LYS 110 -2.234 14.285 4.691 878 HD2 LYS 110 HD2 LYS 110 -0.023 14.915 4.664 879 HD3 LYS 110 HD3 LYS 110 -0.735 15.941 3.414 880 HE2 LYS 110 HE2 LYS 110 -0.715 17.867 4.861 881 HE3 LYS 110 HE3 LYS 110 -0.482 16.863 6.311 882 HZ1 LYS 110 HZ1 LYS 110 1.555 18.039 5.446 883 HZ2 LYS 110 HZ2 LYS 110 1.531 16.985 4.195 884 HZ3 LYS 110 HZ3 LYS 110 1.670 16.395 5.739 885 H ILE 111 H ILE 111 -3.861 13.252 1.969 886 HA ILE 111 HA ILE 111 -2.097 14.433 -0.092 887 HB ILE 111 HB ILE 111 -3.096 11.586 0.278 888 HG12 ILE 111 HG12 ILE 111 -1.860 12.163 2.302 889 HG13 ILE 111 HG13 ILE 111 -0.995 10.990 1.347 890 HG21 ILE 111 HG21 ILE 111 -2.237 11.875 -1.913 891 HG22 ILE 111 HG22 ILE 111 -0.819 12.788 -1.351 892 HG23 ILE 111 HG23 ILE 111 -0.973 11.059 -0.979 893 HD11 ILE 111 HD11 ILE 111 0.516 12.843 0.516 894 HD12 ILE 111 HD12 ILE 111 -0.349 13.952 1.616 895 HD13 ILE 111 HD13 ILE 111 0.567 12.583 2.260 896 H LYS 112 H LYS 112 -2.641 14.088 -2.369 897 HA LYS 112 HA LYS 112 -5.551 14.436 -2.894 898 HB2 LYS 112 HB2 LYS 112 -3.362 15.447 -4.633 899 HB3 LYS 112 HB3 LYS 112 -5.053 15.774 -4.784 900 HG2 LYS 112 HG2 LYS 112 -3.285 16.629 -2.479 901 HG3 LYS 112 HG3 LYS 112 -3.543 17.594 -3.912 902 HD2 LYS 112 HD2 LYS 112 -5.831 16.549 -2.300 903 HD3 LYS 112 HD3 LYS 112 -5.015 18.073 -1.837 904 HE2 LYS 112 HE2 LYS 112 -5.567 17.817 -4.714 905 HE3 LYS 112 HE3 LYS 112 -7.056 17.773 -3.778 906 HZ1 LYS 112 HZ1 LYS 112 -6.334 20.003 -4.498 907 HZ2 LYS 112 HZ2 LYS 112 -5.026 19.918 -3.488 908 HZ3 LYS 112 HZ3 LYS 112 -6.551 19.902 -2.886 909 H ASP 113 H ASP 113 -5.973 13.859 -5.175 910 HA ASP 113 HA ASP 113 -5.603 11.059 -5.639 911 HB2 ASP 113 HB2 ASP 113 -7.340 13.155 -6.440 912 HB3 ASP 113 HB3 ASP 113 -6.650 12.517 -7.874 913 H GLY 114 H GLY 114 -3.137 12.944 -6.042 914 HA2 GLY 114 HA2 GLY 114 -1.728 11.483 -7.926 915 HA3 GLY 114 HA3 GLY 114 -2.415 12.813 -8.859 916 H GLU 115 H GLU 115 -0.616 12.137 -5.828 917 HA GLU 115 HA GLU 115 0.944 14.646 -6.126 918 HB2 GLU 115 HB2 GLU 115 0.170 12.951 -3.704 919 HB3 GLU 115 HB3 GLU 115 1.266 14.323 -3.660 920 HG2 GLU 115 HG2 GLU 115 -1.628 14.310 -4.456 921 HG3 GLU 115 HG3 GLU 115 -0.972 14.979 -2.975 922 H LYS 116 H LYS 116 1.578 12.470 -7.620 923 HA LYS 116 HA LYS 116 3.279 11.050 -8.236 924 HB2 LYS 116 HB2 LYS 116 3.956 13.837 -7.817 925 HB3 LYS 116 HB3 LYS 116 5.427 12.877 -7.671 926 HG2 LYS 116 HG2 LYS 116 5.174 11.861 -9.780 927 HG3 LYS 116 HG3 LYS 116 3.500 12.408 -9.961 928 HD2 LYS 116 HD2 LYS 116 4.151 14.743 -9.985 929 HD3 LYS 116 HD3 LYS 116 5.853 14.323 -9.756 930 HE2 LYS 116 HE2 LYS 116 4.293 13.078 -12.034 931 HE3 LYS 116 HE3 LYS 116 4.780 14.757 -12.134 932 HZ1 LYS 116 HZ1 LYS 116 7.094 13.967 -11.605 933 HZ2 LYS 116 HZ2 LYS 116 6.547 13.431 -13.057 934 HZ3 LYS 116 HZ3 LYS 116 6.591 12.421 -11.780 935 H VAL 117 H VAL 117 3.108 9.372 -6.661 936 HA VAL 117 HA VAL 117 4.458 9.685 -4.105 937 HB VAL 117 HB VAL 117 2.571 8.473 -3.916 938 HG11 VAL 117 HG11 VAL 117 3.364 6.662 -6.198 939 HG12 VAL 117 HG12 VAL 117 1.986 6.358 -5.108 940 HG13 VAL 117 HG13 VAL 117 2.004 7.770 -6.163 941 HG21 VAL 117 HG21 VAL 117 3.153 6.409 -2.936 942 HG22 VAL 117 HG22 VAL 117 4.733 6.407 -3.772 943 HG23 VAL 117 HG23 VAL 117 4.330 7.677 -2.582 944 H ALA 118 H ALA 118 6.646 9.788 -4.213 945 HA ALA 118 HA ALA 118 8.186 8.023 -6.027 946 HB1 ALA 118 HB1 ALA 118 8.993 10.162 -3.988 947 HB2 ALA 118 HB2 ALA 118 10.113 9.244 -5.014 948 HB3 ALA 118 HB3 ALA 118 8.934 10.342 -5.756 949 H VAL 119 H VAL 119 8.045 5.990 -5.216 950 HA VAL 119 HA VAL 119 8.001 5.224 -2.385 951 HB VAL 119 HB VAL 119 8.268 3.636 -4.984 952 HG11 VAL 119 HG11 VAL 119 7.803 2.793 -2.127 953 HG12 VAL 119 HG12 VAL 119 7.282 1.783 -3.481 954 HG13 VAL 119 HG13 VAL 119 9.005 2.206 -3.318 955 HG21 VAL 119 HG21 VAL 119 5.788 4.314 -3.371 956 HG22 VAL 119 HG22 VAL 119 6.162 4.778 -5.051 957 HG23 VAL 119 HG23 VAL 119 5.837 3.096 -4.652 958 H ARG 120 H ARG 120 9.869 4.618 -1.269 959 HA ARG 120 HA ARG 120 12.354 3.959 -2.755 960 HB2 ARG 120 HB2 ARG 120 12.454 5.790 -0.371 961 HB3 ARG 120 HB3 ARG 120 13.700 5.391 -1.537 962 HG2 ARG 120 HG2 ARG 120 12.352 6.565 -3.301 963 HG3 ARG 120 HG3 ARG 120 11.222 7.116 -2.060 964 HD2 ARG 120 HD2 ARG 120 14.195 7.558 -2.088 965 HD3 ARG 120 HD3 ARG 120 13.021 8.748 -2.664 966 HE ARG 120 HE ARG 120 12.070 8.240 -0.203 967 HH11 ARG 120 HH11 ARG 120 15.425 8.898 -1.023 968 HH12 ARG 120 HH12 ARG 120 15.653 10.108 0.217 969 HH21 ARG 120 HH21 ARG 120 12.546 9.383 1.802 970 HH22 ARG 120 HH22 ARG 120 14.104 10.067 2.023 971 H PHE 121 H PHE 121 14.033 3.182 -0.772 972 HA PHE 121 HA PHE 121 12.673 0.930 0.523 973 HB2 PHE 121 HB2 PHE 121 15.533 1.928 0.246 974 HB3 PHE 121 HB3 PHE 121 15.111 0.702 1.411 975 HD1 PHE 121 HD1 PHE 121 13.378 -1.090 0.381 976 HD2 PHE 121 HD2 PHE 121 16.327 1.093 -1.766 977 HE1 PHE 121 HE1 PHE 121 13.406 -2.914 -1.398 978 HE2 PHE 121 HE2 PHE 121 16.424 -0.722 -3.540 979 HZ PHE 121 HZ PHE 121 14.925 -2.691 -3.347 980 H ALA 122 H ALA 122 12.941 3.717 1.248 981 HA ALA 122 HA ALA 122 12.807 5.333 3.091 982 HB1 ALA 122 HB1 ALA 122 11.327 3.545 4.207 983 HB2 ALA 122 HB2 ALA 122 12.791 2.981 5.004 984 HB3 ALA 122 HB3 ALA 122 12.245 4.662 5.275 985 H SER 123 H SER 123 14.224 5.285 5.444 986 HA SER 123 HA SER 123 16.199 5.574 6.344 987 HB2 SER 123 HB2 SER 123 17.597 3.670 6.410 988 HB3 SER 123 HB3 SER 123 15.910 3.234 6.561 989 HG SER 123 HG SER 123 16.313 2.981 4.039 990 H SER 124 H SER 124 15.751 7.098 4.368 991 HA SER 124 HA SER 124 17.932 7.250 2.436 992 HB2 SER 124 HB2 SER 124 17.114 9.602 2.052 993 HB3 SER 124 HB3 SER 124 16.007 8.258 1.744 994 HG SER 124 HG SER 124 16.044 9.877 4.079 Start of MODEL 11 1 H1 MET 1 H1 MET 1 12.688 -5.758 5.417 2 HA MET 1 HA MET 1 13.024 -3.696 4.191 3 HB2 MET 1 HB2 MET 1 12.735 -5.720 2.918 4 HB3 MET 1 HB3 MET 1 10.981 -5.585 2.944 5 HG2 MET 1 HG2 MET 1 11.011 -3.700 1.534 6 HG3 MET 1 HG3 MET 1 12.746 -3.429 1.752 7 HE1 MET 1 HE1 MET 1 14.315 -5.956 1.331 8 HE2 MET 1 HE2 MET 1 14.500 -6.046 -0.429 9 HE3 MET 1 HE3 MET 1 14.616 -4.475 0.402 10 H ARG 2 H ARG 2 12.388 -1.771 5.080 11 HA ARG 2 HA ARG 2 9.569 -0.948 5.263 12 HB2 ARG 2 HB2 ARG 2 12.323 0.235 5.769 13 HB3 ARG 2 HB3 ARG 2 10.968 1.304 5.428 14 HG2 ARG 2 HG2 ARG 2 11.511 0.951 7.825 15 HG3 ARG 2 HG3 ARG 2 9.841 0.939 7.277 16 HD2 ARG 2 HD2 ARG 2 9.984 -0.687 8.824 17 HD3 ARG 2 HD3 ARG 2 9.874 -1.545 7.288 18 HE ARG 2 HE ARG 2 12.483 -1.082 8.668 19 HH11 ARG 2 HH11 ARG 2 10.021 -3.543 7.786 20 HH12 ARG 2 HH12 ARG 2 11.028 -4.852 8.253 21 HH21 ARG 2 HH21 ARG 2 13.650 -2.935 9.494 22 HH22 ARG 2 HH22 ARG 2 12.951 -4.482 9.330 23 H VAL 3 H VAL 3 8.839 0.845 4.046 24 HA VAL 3 HA VAL 3 10.236 1.682 1.641 25 HB VAL 3 HB VAL 3 7.560 0.194 1.703 26 HG11 VAL 3 HG11 VAL 3 8.531 2.033 -0.484 27 HG12 VAL 3 HG12 VAL 3 7.214 0.847 -0.668 28 HG13 VAL 3 HG13 VAL 3 7.049 2.183 0.463 29 HG21 VAL 3 HG21 VAL 3 9.315 -1.336 1.240 30 HG22 VAL 3 HG22 VAL 3 8.589 -0.988 -0.319 31 HG23 VAL 3 HG23 VAL 3 10.132 -0.239 0.104 32 H GLU 4 H GLU 4 10.213 3.941 2.182 33 HA GLU 4 HA GLU 4 7.848 5.166 3.455 34 HB2 GLU 4 HB2 GLU 4 9.930 5.914 4.372 35 HB3 GLU 4 HB3 GLU 4 10.644 6.013 2.804 36 HG2 GLU 4 HG2 GLU 4 8.884 7.930 2.356 37 HG3 GLU 4 HG3 GLU 4 8.875 8.000 4.121 38 H LEU 5 H LEU 5 6.322 6.031 2.210 39 HA LEU 5 HA LEU 5 6.701 6.409 -0.688 40 HB2 LEU 5 HB2 LEU 5 4.278 6.534 1.163 41 HB3 LEU 5 HB3 LEU 5 4.263 6.745 -0.575 42 HG LEU 5 HG LEU 5 3.419 4.682 -0.177 43 HD11 LEU 5 HD11 LEU 5 5.048 4.710 -2.014 44 HD12 LEU 5 HD12 LEU 5 4.951 3.090 -1.284 45 HD13 LEU 5 HD13 LEU 5 6.321 4.142 -0.910 46 HD21 LEU 5 HD21 LEU 5 4.115 4.271 2.108 47 HD22 LEU 5 HD22 LEU 5 5.688 3.717 1.528 48 HD23 LEU 5 HD23 LEU 5 4.201 2.866 1.038 49 H LEU 6 H LEU 6 7.440 8.410 -1.146 50 HA LEU 6 HA LEU 6 6.804 10.730 0.636 51 HB2 LEU 6 HB2 LEU 6 9.137 9.849 -0.849 52 HB3 LEU 6 HB3 LEU 6 8.560 11.309 -1.633 53 HG LEU 6 HG LEU 6 9.003 11.116 1.374 54 HD11 LEU 6 HD11 LEU 6 10.926 12.063 -0.804 55 HD12 LEU 6 HD12 LEU 6 11.103 10.617 0.213 56 HD13 LEU 6 HD13 LEU 6 11.191 12.214 0.959 57 HD21 LEU 6 HD21 LEU 6 9.111 13.582 1.244 58 HD22 LEU 6 HD22 LEU 6 7.565 13.008 0.623 59 HD23 LEU 6 HD23 LEU 6 8.826 13.522 -0.511 60 H PHE 7 H PHE 7 5.377 12.261 -0.058 61 HA PHE 7 HA PHE 7 4.376 12.079 -2.867 62 HB2 PHE 7 HB2 PHE 7 2.787 12.952 -0.480 63 HB3 PHE 7 HB3 PHE 7 2.185 12.496 -2.052 64 HD1 PHE 7 HD1 PHE 7 2.159 10.076 -2.689 65 HD2 PHE 7 HD2 PHE 7 3.066 11.353 1.312 66 HE1 PHE 7 HE1 PHE 7 1.761 7.779 -1.846 67 HE2 PHE 7 HE2 PHE 7 2.558 9.080 2.172 68 HZ PHE 7 HZ PHE 7 1.995 7.262 0.568 69 H GLU 8 H GLU 8 3.152 14.255 -3.367 70 HA GLU 8 HA GLU 8 4.937 16.490 -3.121 71 HB2 GLU 8 HB2 GLU 8 2.015 16.329 -3.937 72 HB3 GLU 8 HB3 GLU 8 3.012 17.773 -4.073 73 HG2 GLU 8 HG2 GLU 8 4.483 15.607 -5.304 74 HG3 GLU 8 HG3 GLU 8 2.813 15.538 -5.883 75 H SER 9 H SER 9 2.268 15.464 -1.087 76 HA SER 9 HA SER 9 2.394 18.046 0.401 77 HB2 SER 9 HB2 SER 9 0.104 16.117 -0.188 78 HB3 SER 9 HB3 SER 9 0.030 17.359 1.088 79 HG SER 9 HG SER 9 -0.010 17.624 -1.666 80 H GLY 10 H GLY 10 3.448 14.827 0.848 81 HA2 GLY 10 HA2 GLY 10 4.023 15.149 3.572 82 HA3 GLY 10 HA3 GLY 10 2.533 14.185 3.411 83 H LYS 11 H LYS 11 3.702 12.428 4.329 84 HA LYS 11 HA LYS 11 4.686 10.672 2.413 85 HB2 LYS 11 HB2 LYS 11 6.873 10.101 3.325 86 HB3 LYS 11 HB3 LYS 11 6.807 11.671 2.524 87 HG2 LYS 11 HG2 LYS 11 7.105 12.881 4.478 88 HG3 LYS 11 HG3 LYS 11 6.516 11.589 5.537 89 HD2 LYS 11 HD2 LYS 11 8.513 10.248 5.146 90 HD3 LYS 11 HD3 LYS 11 9.095 11.426 3.945 91 HE2 LYS 11 HE2 LYS 11 8.716 13.120 5.993 92 HE3 LYS 11 HE3 LYS 11 8.933 11.639 6.951 93 HZ1 LYS 11 HZ1 LYS 11 11.053 11.338 5.747 94 HZ2 LYS 11 HZ2 LYS 11 11.014 12.710 6.603 95 HZ3 LYS 11 HZ3 LYS 11 10.810 12.769 4.964 96 H CYS 12 H CYS 12 4.683 8.577 3.121 97 HA CYS 12 HA CYS 12 4.180 8.112 5.980 98 HB2 CYS 12 HB2 CYS 12 2.440 6.528 5.618 99 HB3 CYS 12 HB3 CYS 12 1.988 8.009 4.784 100 HG CYS 12 HG CYS 12 1.190 5.930 3.474 101 H VAL 13 H VAL 13 4.341 5.657 6.408 102 HA VAL 13 HA VAL 13 6.524 4.510 4.773 103 HB VAL 13 HB VAL 13 6.855 4.842 7.789 104 HG11 VAL 13 HG11 VAL 13 9.130 4.054 7.382 105 HG12 VAL 13 HG12 VAL 13 7.991 2.865 6.739 106 HG13 VAL 13 HG13 VAL 13 8.814 3.975 5.626 107 HG21 VAL 13 HG21 VAL 13 8.060 6.519 5.621 108 HG22 VAL 13 HG22 VAL 13 7.014 7.032 6.971 109 HG23 VAL 13 HG23 VAL 13 8.627 6.449 7.302 110 H ILE 14 H ILE 14 6.170 2.526 4.376 111 HA ILE 14 HA ILE 14 4.475 0.870 6.196 112 HB ILE 14 HB ILE 14 3.648 -0.290 4.214 113 HG12 ILE 14 HG12 ILE 14 5.413 1.358 2.403 114 HG13 ILE 14 HG13 ILE 14 5.743 -0.296 2.931 115 HG21 ILE 14 HG21 ILE 14 2.418 1.800 4.648 116 HG22 ILE 14 HG22 ILE 14 3.505 2.707 3.593 117 HG23 ILE 14 HG23 ILE 14 2.432 1.468 2.929 118 HD11 ILE 14 HD11 ILE 14 4.882 -0.338 0.694 119 HD12 ILE 14 HD12 ILE 14 3.731 -1.109 1.780 120 HD13 ILE 14 HD13 ILE 14 3.421 0.516 1.172 121 H ASP 15 H ASP 15 4.929 -1.154 6.323 122 HA ASP 15 HA ASP 15 7.792 -1.870 6.375 123 HB2 ASP 15 HB2 ASP 15 6.874 -3.232 8.323 124 HB3 ASP 15 HB3 ASP 15 6.730 -1.477 8.623 125 H LEU 16 H LEU 16 8.157 -3.440 4.770 126 HA LEU 16 HA LEU 16 6.041 -5.533 4.506 127 HB2 LEU 16 HB2 LEU 16 8.052 -4.364 2.586 128 HB3 LEU 16 HB3 LEU 16 7.151 -5.826 2.240 129 HG LEU 16 HG LEU 16 5.868 -3.102 2.747 130 HD11 LEU 16 HD11 LEU 16 5.631 -2.909 0.314 131 HD12 LEU 16 HD12 LEU 16 6.517 -4.438 0.081 132 HD13 LEU 16 HD13 LEU 16 7.335 -3.018 0.764 133 HD21 LEU 16 HD21 LEU 16 3.881 -4.081 1.825 134 HD22 LEU 16 HD22 LEU 16 4.527 -5.144 3.068 135 HD23 LEU 16 HD23 LEU 16 4.752 -5.603 1.395 136 H ASN 17 H ASN 17 6.701 -7.637 4.645 137 HA ASN 17 HA ASN 17 9.383 -7.955 5.920 138 HB2 ASN 17 HB2 ASN 17 7.273 -8.660 7.209 139 HB3 ASN 17 HB3 ASN 17 7.212 -10.042 6.107 140 HD21 ASN 17 HD21 ASN 17 8.336 -11.796 6.987 141 HD22 ASN 17 HD22 ASN 17 9.841 -11.733 7.851 142 H GLU 18 H GLU 18 10.895 -9.373 5.133 143 HA GLU 18 HA GLU 18 10.717 -9.758 2.279 144 HB2 GLU 18 HB2 GLU 18 12.898 -10.132 4.355 145 HB3 GLU 18 HB3 GLU 18 13.148 -10.505 2.651 146 HG2 GLU 18 HG2 GLU 18 12.539 -8.208 2.004 147 HG3 GLU 18 HG3 GLU 18 12.353 -7.788 3.710 148 H GLU 19 H GLU 19 8.892 -11.497 3.659 149 HA GLU 19 HA GLU 19 9.992 -14.147 2.802 150 HB2 GLU 19 HB2 GLU 19 8.528 -15.218 4.336 151 HB3 GLU 19 HB3 GLU 19 9.470 -13.993 5.183 152 HG2 GLU 19 HG2 GLU 19 7.395 -12.444 4.826 153 HG3 GLU 19 HG3 GLU 19 6.530 -13.942 4.497 154 H TYR 20 H TYR 20 8.012 -11.571 1.865 155 HA TYR 20 HA TYR 20 6.018 -13.268 0.498 156 HB2 TYR 20 HB2 TYR 20 6.175 -10.279 0.815 157 HB3 TYR 20 HB3 TYR 20 4.767 -11.202 0.306 158 HD1 TYR 20 HD1 TYR 20 4.466 -13.313 2.235 159 HD2 TYR 20 HD2 TYR 20 5.821 -9.289 2.929 160 HE1 TYR 20 HE1 TYR 20 3.523 -13.407 4.498 161 HE2 TYR 20 HE2 TYR 20 4.900 -9.381 5.217 162 HH TYR 20 HH TYR 20 4.088 -12.186 6.817 163 H GLU 21 H GLU 21 5.707 -13.365 -1.633 164 HA GLU 21 HA GLU 21 7.853 -13.242 -3.490 165 HB2 GLU 21 HB2 GLU 21 5.832 -14.597 -3.845 166 HB3 GLU 21 HB3 GLU 21 4.836 -13.146 -3.889 167 HG2 GLU 21 HG2 GLU 21 5.036 -13.701 -6.128 168 HG3 GLU 21 HG3 GLU 21 6.189 -12.399 -5.951 169 H VAL 22 H VAL 22 5.033 -11.043 -3.295 170 HA VAL 22 HA VAL 22 5.877 -9.198 -5.243 171 HB VAL 22 HB VAL 22 4.666 -8.068 -2.763 172 HG11 VAL 22 HG11 VAL 22 3.927 -6.542 -4.166 173 HG12 VAL 22 HG12 VAL 22 4.458 -7.502 -5.577 174 HG13 VAL 22 HG13 VAL 22 2.848 -7.723 -4.899 175 HG21 VAL 22 HG21 VAL 22 2.459 -8.995 -2.930 176 HG22 VAL 22 HG22 VAL 22 3.096 -10.305 -3.952 177 HG23 VAL 22 HG23 VAL 22 3.726 -10.038 -2.288 178 H VAL 23 H VAL 23 6.975 -9.485 -1.840 179 HA VAL 23 HA VAL 23 7.796 -6.800 -1.878 180 HB VAL 23 HB VAL 23 8.394 -9.091 0.050 181 HG11 VAL 23 HG11 VAL 23 9.153 -7.530 1.715 182 HG12 VAL 23 HG12 VAL 23 10.189 -7.358 0.302 183 HG13 VAL 23 HG13 VAL 23 8.925 -6.154 0.634 184 HG21 VAL 23 HG21 VAL 23 6.704 -7.922 1.441 185 HG22 VAL 23 HG22 VAL 23 6.517 -6.686 0.172 186 HG23 VAL 23 HG23 VAL 23 6.014 -8.339 -0.128 187 H LYS 24 H LYS 24 9.203 -9.927 -2.638 188 HA LYS 24 HA LYS 24 11.982 -9.132 -3.002 189 HB2 LYS 24 HB2 LYS 24 10.448 -11.362 -4.413 190 HB3 LYS 24 HB3 LYS 24 12.187 -11.202 -4.252 191 HG2 LYS 24 HG2 LYS 24 12.125 -11.632 -1.926 192 HG3 LYS 24 HG3 LYS 24 10.373 -11.540 -1.836 193 HD2 LYS 24 HD2 LYS 24 10.021 -13.527 -2.994 194 HD3 LYS 24 HD3 LYS 24 11.657 -13.591 -3.648 195 HE2 LYS 24 HE2 LYS 24 11.470 -13.482 -0.662 196 HE3 LYS 24 HE3 LYS 24 10.766 -14.923 -1.404 197 HZ1 LYS 24 HZ1 LYS 24 13.534 -14.012 -1.897 198 HZ2 LYS 24 HZ2 LYS 24 12.811 -15.415 -2.441 199 HZ3 LYS 24 HZ3 LYS 24 13.108 -15.197 -0.853 200 H LEU 25 H LEU 25 9.083 -9.406 -5.278 201 HA LEU 25 HA LEU 25 10.682 -8.977 -7.590 202 HB2 LEU 25 HB2 LEU 25 7.740 -8.762 -6.887 203 HB3 LEU 25 HB3 LEU 25 8.338 -8.452 -8.506 204 HG LEU 25 HG LEU 25 7.373 -10.740 -7.705 205 HD11 LEU 25 HD11 LEU 25 8.116 -10.174 -10.032 206 HD12 LEU 25 HD12 LEU 25 8.507 -11.851 -9.592 207 HD13 LEU 25 HD13 LEU 25 9.783 -10.601 -9.561 208 HD21 LEU 25 HD21 LEU 25 8.790 -11.477 -6.094 209 HD22 LEU 25 HD22 LEU 25 10.262 -11.257 -7.079 210 HD23 LEU 25 HD23 LEU 25 9.067 -12.515 -7.456 211 H LEU 26 H LEU 26 8.896 -6.946 -5.386 212 HA LEU 26 HA LEU 26 8.994 -4.404 -6.634 213 HB2 LEU 26 HB2 LEU 26 8.620 -5.597 -3.906 214 HB3 LEU 26 HB3 LEU 26 9.152 -3.991 -3.936 215 HG LEU 26 HG LEU 26 6.721 -4.267 -3.709 216 HD11 LEU 26 HD11 LEU 26 7.625 -2.147 -4.606 217 HD12 LEU 26 HD12 LEU 26 6.008 -2.482 -5.231 218 HD13 LEU 26 HD13 LEU 26 7.435 -2.753 -6.255 219 HD21 LEU 26 HD21 LEU 26 6.770 -5.646 -6.274 220 HD22 LEU 26 HD22 LEU 26 5.356 -4.666 -5.807 221 HD23 LEU 26 HD23 LEU 26 5.950 -5.953 -4.766 222 H LYS 27 H LYS 27 11.488 -6.193 -4.706 223 HA LYS 27 HA LYS 27 13.070 -3.853 -4.259 224 HB2 LYS 27 HB2 LYS 27 13.453 -5.630 -2.818 225 HB3 LYS 27 HB3 LYS 27 13.605 -6.828 -4.074 226 HG2 LYS 27 HG2 LYS 27 15.683 -4.647 -3.941 227 HG3 LYS 27 HG3 LYS 27 15.729 -5.938 -2.758 228 HD2 LYS 27 HD2 LYS 27 16.279 -7.561 -4.226 229 HD3 LYS 27 HD3 LYS 27 15.413 -6.856 -5.593 230 HE2 LYS 27 HE2 LYS 27 17.163 -5.252 -6.003 231 HE3 LYS 27 HE3 LYS 27 18.004 -5.700 -4.502 232 HZ1 LYS 27 HZ1 LYS 27 17.615 -7.444 -6.854 233 HZ2 LYS 27 HZ2 LYS 27 18.357 -7.886 -5.424 234 HZ3 LYS 27 HZ3 LYS 27 19.029 -6.747 -6.383 235 H GLU 28 H GLU 28 12.650 -5.881 -7.019 236 HA GLU 28 HA GLU 28 15.065 -4.971 -8.380 237 HB2 GLU 28 HB2 GLU 28 12.616 -6.388 -9.448 238 HB3 GLU 28 HB3 GLU 28 14.128 -6.150 -10.319 239 HG2 GLU 28 HG2 GLU 28 13.997 -7.639 -7.645 240 HG3 GLU 28 HG3 GLU 28 13.765 -8.399 -9.181 241 H LYS 29 H LYS 29 11.995 -3.598 -7.812 242 HA LYS 29 HA LYS 29 12.330 -1.594 -9.995 243 HB2 LYS 29 HB2 LYS 29 9.696 -2.701 -8.931 244 HB3 LYS 29 HB3 LYS 29 9.918 -1.557 -10.250 245 HG2 LYS 29 HG2 LYS 29 10.555 -4.525 -10.277 246 HG3 LYS 29 HG3 LYS 29 9.267 -3.659 -11.116 247 HD2 LYS 29 HD2 LYS 29 11.254 -2.333 -12.252 248 HD3 LYS 29 HD3 LYS 29 12.217 -3.738 -11.745 249 HE2 LYS 29 HE2 LYS 29 10.308 -5.159 -12.825 250 HE3 LYS 29 HE3 LYS 29 9.765 -3.630 -13.533 251 HZ1 LYS 29 HZ1 LYS 29 11.092 -4.544 -15.105 252 HZ2 LYS 29 HZ2 LYS 29 12.217 -5.115 -14.053 253 HZ3 LYS 29 HZ3 LYS 29 12.160 -3.492 -14.369 254 H ILE 30 H ILE 30 13.386 -1.215 -7.285 255 HA ILE 30 HA ILE 30 11.671 1.051 -6.519 256 HB ILE 30 HB ILE 30 12.755 -1.035 -4.648 257 HG12 ILE 30 HG12 ILE 30 10.031 0.331 -4.653 258 HG13 ILE 30 HG13 ILE 30 10.341 -1.147 -5.540 259 HG21 ILE 30 HG21 ILE 30 11.660 1.647 -3.677 260 HG22 ILE 30 HG22 ILE 30 12.386 0.363 -2.715 261 HG23 ILE 30 HG23 ILE 30 13.405 1.302 -3.775 262 HD11 ILE 30 HD11 ILE 30 10.550 -0.782 -2.527 263 HD12 ILE 30 HD12 ILE 30 9.338 -1.694 -3.398 264 HD13 ILE 30 HD13 ILE 30 11.018 -2.262 -3.406 265 HA PRO 31 HA PRO 31 12.062 2.961 -5.261 266 HB2 PRO 31 HB2 PRO 31 12.733 5.482 -6.189 267 HB3 PRO 31 HB3 PRO 31 13.182 4.829 -4.599 268 HG2 PRO 31 HG2 PRO 31 14.888 5.050 -7.044 269 HG3 PRO 31 HG3 PRO 31 15.321 5.227 -5.309 270 HD2 PRO 31 HD2 PRO 31 15.806 2.940 -6.818 271 HD3 PRO 31 HD3 PRO 31 15.560 2.931 -5.046 272 H PHE 32 H PHE 32 10.307 4.140 -6.351 273 HA PHE 32 HA PHE 32 10.369 4.269 -9.207 274 HB2 PHE 32 HB2 PHE 32 8.610 2.798 -9.759 275 HB3 PHE 32 HB3 PHE 32 9.805 1.892 -8.914 276 HD1 PHE 32 HD1 PHE 32 9.282 1.087 -6.595 277 HD2 PHE 32 HD2 PHE 32 6.380 3.102 -8.987 278 HE1 PHE 32 HE1 PHE 32 7.476 -0.137 -5.418 279 HE2 PHE 32 HE2 PHE 32 4.541 1.971 -7.782 280 HZ PHE 32 HZ PHE 32 5.098 0.267 -6.002 281 H GLU 33 H GLU 33 8.321 5.358 -10.006 282 HA GLU 33 HA GLU 33 7.010 6.872 -7.821 283 HB2 GLU 33 HB2 GLU 33 8.113 7.791 -10.465 284 HB3 GLU 33 HB3 GLU 33 6.779 8.653 -9.698 285 HG2 GLU 33 HG2 GLU 33 8.175 8.869 -7.642 286 HG3 GLU 33 HG3 GLU 33 9.537 8.120 -8.487 287 H SER 34 H SER 34 4.836 7.750 -8.524 288 HA SER 34 HA SER 34 3.434 6.309 -10.600 289 HB2 SER 34 HB2 SER 34 3.828 4.768 -8.368 290 HB3 SER 34 HB3 SER 34 2.364 5.623 -7.891 291 HG SER 34 HG SER 34 2.868 3.812 -9.965 292 H VAL 35 H VAL 35 0.919 6.570 -10.121 293 HA VAL 35 HA VAL 35 0.443 9.425 -9.391 294 HB VAL 35 HB VAL 35 -1.541 7.454 -10.661 295 HG11 VAL 35 HG11 VAL 35 -2.574 9.450 -9.706 296 HG12 VAL 35 HG12 VAL 35 -1.498 10.486 -10.669 297 HG13 VAL 35 HG13 VAL 35 -2.696 9.446 -11.461 298 HG21 VAL 35 HG21 VAL 35 0.376 9.320 -12.087 299 HG22 VAL 35 HG22 VAL 35 0.376 7.534 -12.134 300 HG23 VAL 35 HG23 VAL 35 -0.966 8.423 -12.859 301 H VAL 36 H VAL 36 -0.708 9.831 -7.512 302 HA VAL 36 HA VAL 36 -1.111 7.623 -5.754 303 HB VAL 36 HB VAL 36 -1.581 10.631 -5.413 304 HG11 VAL 36 HG11 VAL 36 -2.777 9.446 -3.655 305 HG12 VAL 36 HG12 VAL 36 -1.322 8.463 -3.340 306 HG13 VAL 36 HG13 VAL 36 -1.296 10.179 -3.009 307 HG21 VAL 36 HG21 VAL 36 0.516 10.806 -4.316 308 HG22 VAL 36 HG22 VAL 36 0.701 9.072 -4.233 309 HG23 VAL 36 HG23 VAL 36 0.880 9.904 -5.801 310 H ASN 37 H ASN 37 -2.909 6.658 -7.215 311 HA ASN 37 HA ASN 37 -5.327 8.214 -7.675 312 HB2 ASN 37 HB2 ASN 37 -5.142 5.173 -7.601 313 HB3 ASN 37 HB3 ASN 37 -6.447 6.144 -8.247 314 HD21 ASN 37 HD21 ASN 37 -3.798 4.361 -9.194 315 HD22 ASN 37 HD22 ASN 37 -3.514 5.160 -10.740 316 H THR 38 H THR 38 -7.363 7.960 -6.562 317 HA THR 38 HA THR 38 -7.185 6.933 -3.773 318 HB THR 38 HB THR 38 -8.489 8.993 -3.139 319 HG1 THR 38 HG1 THR 38 -7.873 9.714 -5.798 320 HG21 THR 38 HG21 THR 38 -6.275 8.877 -2.493 321 HG22 THR 38 HG22 THR 38 -6.554 10.531 -3.030 322 HG23 THR 38 HG23 THR 38 -5.640 9.409 -4.070 323 H TRP 39 H TRP 39 -9.119 6.316 -2.784 324 HA TRP 39 HA TRP 39 -11.689 6.543 -4.220 325 HB2 TRP 39 HB2 TRP 39 -10.655 4.641 -5.281 326 HB3 TRP 39 HB3 TRP 39 -10.169 3.960 -3.737 327 HD1 TRP 39 HD1 TRP 39 -13.261 4.480 -5.944 328 HE1 TRP 39 HE1 TRP 39 -14.734 2.455 -5.664 329 HE3 TRP 39 HE3 TRP 39 -10.825 2.262 -2.047 330 HZ2 TRP 39 HZ2 TRP 39 -15.066 0.257 -3.676 331 HZ3 TRP 39 HZ3 TRP 39 -11.593 0.069 -1.205 332 HH2 TRP 39 HH2 TRP 39 -13.697 -0.915 -1.974 333 H GLY 40 H GLY 40 -12.290 7.813 -2.388 334 HA2 GLY 40 HA2 GLY 40 -13.079 8.211 -0.216 335 HA3 GLY 40 HA3 GLY 40 -13.712 6.620 -0.498 336 H GLU 41 H GLU 41 -10.863 8.363 0.887 337 HA GLU 41 HA GLU 41 -9.581 7.887 2.718 338 HB2 GLU 41 HB2 GLU 41 -11.644 5.809 3.548 339 HB3 GLU 41 HB3 GLU 41 -10.396 6.508 4.544 340 HG2 GLU 41 HG2 GLU 41 -11.447 8.457 4.851 341 HG3 GLU 41 HG3 GLU 41 -12.280 8.475 3.300 342 H GLU 42 H GLU 42 -9.469 6.233 0.107 343 HA GLU 42 HA GLU 42 -7.357 4.519 1.168 344 HB2 GLU 42 HB2 GLU 42 -9.501 3.254 0.491 345 HB3 GLU 42 HB3 GLU 42 -9.126 3.720 -1.173 346 HG2 GLU 42 HG2 GLU 42 -7.020 2.457 -1.076 347 HG3 GLU 42 HG3 GLU 42 -7.328 2.038 0.617 348 H ILE 43 H ILE 43 -5.569 4.371 -0.088 349 HA ILE 43 HA ILE 43 -5.348 6.066 -2.529 350 HB ILE 43 HB ILE 43 -3.567 5.967 -0.059 351 HG12 ILE 43 HG12 ILE 43 -4.583 8.440 -1.469 352 HG13 ILE 43 HG13 ILE 43 -5.608 7.630 -0.277 353 HG21 ILE 43 HG21 ILE 43 -2.026 7.516 -1.284 354 HG22 ILE 43 HG22 ILE 43 -2.088 5.927 -2.015 355 HG23 ILE 43 HG23 ILE 43 -3.015 7.300 -2.729 356 HD11 ILE 43 HD11 ILE 43 -4.508 9.342 0.879 357 HD12 ILE 43 HD12 ILE 43 -3.602 7.874 1.313 358 HD13 ILE 43 HD13 ILE 43 -2.963 9.017 0.083 359 H TYR 44 H TYR 44 -4.499 4.889 -4.241 360 HA TYR 44 HA TYR 44 -2.844 2.458 -3.741 361 HB2 TYR 44 HB2 TYR 44 -4.249 1.206 -5.286 362 HB3 TYR 44 HB3 TYR 44 -5.164 1.676 -3.863 363 HD1 TYR 44 HD1 TYR 44 -6.809 3.690 -4.143 364 HD2 TYR 44 HD2 TYR 44 -4.920 1.666 -7.439 365 HE1 TYR 44 HE1 TYR 44 -8.502 4.619 -5.692 366 HE2 TYR 44 HE2 TYR 44 -6.664 2.509 -8.983 367 HH TYR 44 HH TYR 44 -8.887 3.551 -9.012 368 H PHE 45 H PHE 45 -1.428 2.030 -5.527 369 HA PHE 45 HA PHE 45 -1.361 4.132 -7.649 370 HB2 PHE 45 HB2 PHE 45 1.161 3.940 -7.388 371 HB3 PHE 45 HB3 PHE 45 0.288 5.078 -6.437 372 HD1 PHE 45 HD1 PHE 45 -0.151 4.334 -3.940 373 HD2 PHE 45 HD2 PHE 45 2.581 2.286 -6.526 374 HE1 PHE 45 HE1 PHE 45 1.140 3.577 -1.953 375 HE2 PHE 45 HE2 PHE 45 3.844 1.462 -4.542 376 HZ PHE 45 HZ PHE 45 3.152 2.155 -2.263 377 H SER 46 H SER 46 -0.371 3.441 -9.593 378 HA SER 46 HA SER 46 -1.049 0.687 -10.157 379 HB2 SER 46 HB2 SER 46 0.010 2.924 -11.916 380 HB3 SER 46 HB3 SER 46 -0.695 1.414 -12.476 381 HG SER 46 HG SER 46 -2.421 2.536 -12.493 382 H THR 47 H THR 47 0.693 -0.339 -8.932 383 HA THR 47 HA THR 47 3.388 0.288 -9.128 384 HB THR 47 HB THR 47 3.724 -2.037 -8.228 385 HG1 THR 47 HG1 THR 47 1.810 -2.853 -9.480 386 HG21 THR 47 HG21 THR 47 2.558 -1.746 -6.128 387 HG22 THR 47 HG22 THR 47 1.336 -0.713 -6.862 388 HG23 THR 47 HG23 THR 47 2.997 -0.130 -6.708 389 HA PRO 48 HA PRO 48 4.909 -1.443 -12.894 390 HB2 PRO 48 HB2 PRO 48 7.540 -1.630 -12.332 391 HB3 PRO 48 HB3 PRO 48 6.721 -0.043 -12.410 392 HG2 PRO 48 HG2 PRO 48 7.360 -1.708 -9.949 393 HG3 PRO 48 HG3 PRO 48 7.725 0.027 -10.235 394 HD2 PRO 48 HD2 PRO 48 5.499 -0.781 -8.896 395 HD3 PRO 48 HD3 PRO 48 5.470 0.635 -9.989 396 H VAL 49 H VAL 49 4.845 -3.214 -9.919 397 HA VAL 49 HA VAL 49 5.895 -5.699 -11.161 398 HB VAL 49 HB VAL 49 5.136 -5.103 -8.269 399 HG11 VAL 49 HG11 VAL 49 6.614 -7.456 -9.488 400 HG12 VAL 49 HG12 VAL 49 6.281 -7.208 -7.758 401 HG13 VAL 49 HG13 VAL 49 4.951 -7.488 -8.860 402 HG21 VAL 49 HG21 VAL 49 7.757 -5.411 -8.075 403 HG22 VAL 49 HG22 VAL 49 7.748 -4.828 -9.737 404 HG23 VAL 49 HG23 VAL 49 7.045 -3.839 -8.420 405 H ASN 50 H ASN 50 4.503 -7.434 -11.494 406 HA ASN 50 HA ASN 50 1.657 -7.062 -10.766 407 HB2 ASN 50 HB2 ASN 50 2.454 -8.161 -13.470 408 HB3 ASN 50 HB3 ASN 50 0.875 -7.747 -12.872 409 HD21 ASN 50 HD21 ASN 50 2.134 -6.855 -15.411 410 HD22 ASN 50 HD22 ASN 50 2.209 -5.121 -15.267 411 H VAL 51 H VAL 51 2.117 -8.735 -8.921 412 HA VAL 51 HA VAL 51 2.263 -11.436 -10.033 413 HB VAL 51 HB VAL 51 2.979 -11.988 -7.853 414 HG11 VAL 51 HG11 VAL 51 4.701 -11.204 -9.598 415 HG12 VAL 51 HG12 VAL 51 4.864 -9.752 -8.584 416 HG13 VAL 51 HG13 VAL 51 5.233 -11.354 -7.917 417 HG21 VAL 51 HG21 VAL 51 1.984 -10.363 -6.374 418 HG22 VAL 51 HG22 VAL 51 3.732 -10.452 -6.120 419 HG23 VAL 51 HG23 VAL 51 3.044 -9.097 -7.027 420 H GLN 52 H GLN 52 0.752 -12.963 -8.899 421 HA GLN 52 HA GLN 52 -1.568 -11.572 -7.624 422 HB2 GLN 52 HB2 GLN 52 -1.647 -13.845 -9.625 423 HB3 GLN 52 HB3 GLN 52 -3.029 -13.234 -8.688 424 HG2 GLN 52 HG2 GLN 52 -2.396 -10.904 -9.642 425 HG3 GLN 52 HG3 GLN 52 -1.428 -11.767 -10.810 426 HE21 GLN 52 HE21 GLN 52 -2.523 -13.031 -12.409 427 HE22 GLN 52 HE22 GLN 52 -4.263 -12.875 -12.702 428 H LYS 53 H LYS 53 0.948 -13.377 -6.851 429 HA LYS 53 HA LYS 53 -0.171 -15.529 -5.311 430 HB2 LYS 53 HB2 LYS 53 2.116 -15.253 -6.432 431 HB3 LYS 53 HB3 LYS 53 2.569 -14.172 -5.119 432 HG2 LYS 53 HG2 LYS 53 2.452 -15.969 -3.508 433 HG3 LYS 53 HG3 LYS 53 1.595 -17.020 -4.661 434 HD2 LYS 53 HD2 LYS 53 3.549 -17.045 -6.153 435 HD3 LYS 53 HD3 LYS 53 4.448 -16.010 -5.028 436 HE2 LYS 53 HE2 LYS 53 4.142 -17.805 -3.277 437 HE3 LYS 53 HE3 LYS 53 3.402 -18.823 -4.512 438 HZ1 LYS 53 HZ1 LYS 53 5.518 -18.660 -5.757 439 HZ2 LYS 53 HZ2 LYS 53 5.658 -19.378 -4.278 440 HZ3 LYS 53 HZ3 LYS 53 6.184 -17.847 -4.483 441 H MET 54 H MET 54 -0.965 -15.422 -3.187 442 HA MET 54 HA MET 54 -0.456 -12.950 -1.598 443 HB2 MET 54 HB2 MET 54 -2.691 -13.152 -0.611 444 HB3 MET 54 HB3 MET 54 -2.689 -12.726 -2.299 445 HG2 MET 54 HG2 MET 54 -2.996 -15.431 -2.495 446 HG3 MET 54 HG3 MET 54 -3.705 -15.137 -0.914 447 HE1 MET 54 HE1 MET 54 -5.273 -16.490 -3.168 448 HE2 MET 54 HE2 MET 54 -6.130 -15.462 -4.345 449 HE3 MET 54 HE3 MET 54 -4.365 -15.638 -4.433 450 H GLU 55 H GLU 55 1.105 -13.683 -0.216 451 HA GLU 55 HA GLU 55 1.107 -16.332 0.840 452 HB2 GLU 55 HB2 GLU 55 2.523 -13.727 1.292 453 HB3 GLU 55 HB3 GLU 55 2.620 -14.897 2.608 454 HG2 GLU 55 HG2 GLU 55 3.286 -15.640 -0.273 455 HG3 GLU 55 HG3 GLU 55 4.495 -15.028 0.857 456 H ASN 56 H ASN 56 -0.415 -13.358 2.013 457 HA ASN 56 HA ASN 56 -1.862 -14.968 4.050 458 HB2 ASN 56 HB2 ASN 56 0.066 -13.947 5.169 459 HB3 ASN 56 HB3 ASN 56 -0.442 -12.342 4.607 460 HD21 ASN 56 HD21 ASN 56 -0.520 -11.810 6.942 461 HD22 ASN 56 HD22 ASN 56 -1.793 -12.430 7.973 462 HA PRO 57 HA PRO 57 -4.758 -12.120 1.689 463 HB2 PRO 57 HB2 PRO 57 -6.727 -13.896 1.151 464 HB3 PRO 57 HB3 PRO 57 -5.241 -13.740 0.180 465 HG2 PRO 57 HG2 PRO 57 -5.897 -15.805 2.287 466 HG3 PRO 57 HG3 PRO 57 -5.077 -16.034 0.707 467 HD2 PRO 57 HD2 PRO 57 -3.792 -15.771 3.166 468 HD3 PRO 57 HD3 PRO 57 -3.027 -15.399 1.591 469 H ARG 58 H ARG 58 -6.550 -11.006 2.547 470 HA ARG 58 HA ARG 58 -8.192 -12.277 4.579 471 HB2 ARG 58 HB2 ARG 58 -6.975 -9.566 5.119 472 HB3 ARG 58 HB3 ARG 58 -8.298 -10.263 6.002 473 HG2 ARG 58 HG2 ARG 58 -5.540 -11.564 5.866 474 HG3 ARG 58 HG3 ARG 58 -6.008 -10.354 7.048 475 HD2 ARG 58 HD2 ARG 58 -8.031 -11.885 7.580 476 HD3 ARG 58 HD3 ARG 58 -7.143 -13.139 6.705 477 HE ARG 58 HE ARG 58 -5.652 -11.653 8.735 478 HH11 ARG 58 HH11 ARG 58 -7.899 -14.455 8.355 479 HH12 ARG 58 HH12 ARG 58 -7.503 -15.075 9.917 480 HH21 ARG 58 HH21 ARG 58 -4.884 -12.853 10.594 481 HH22 ARG 58 HH22 ARG 58 -5.716 -14.257 11.144 482 H GLU 59 H GLU 59 -10.256 -10.991 4.804 483 HA GLU 59 HA GLU 59 -10.787 -9.125 2.547 484 HB2 GLU 59 HB2 GLU 59 -12.557 -11.254 3.802 485 HB3 GLU 59 HB3 GLU 59 -13.209 -9.911 2.845 486 HG2 GLU 59 HG2 GLU 59 -11.828 -10.587 0.917 487 HG3 GLU 59 HG3 GLU 59 -11.238 -11.979 1.812 488 H VAL 60 H VAL 60 -10.080 -9.040 5.705 489 HA VAL 60 HA VAL 60 -11.604 -6.580 6.051 490 HB VAL 60 HB VAL 60 -11.604 -8.758 8.187 491 HG11 VAL 60 HG11 VAL 60 -12.817 -7.227 9.626 492 HG12 VAL 60 HG12 VAL 60 -11.316 -6.430 9.104 493 HG13 VAL 60 HG13 VAL 60 -12.859 -5.985 8.372 494 HG21 VAL 60 HG21 VAL 60 -13.379 -9.221 6.608 495 HG22 VAL 60 HG22 VAL 60 -14.150 -8.388 7.987 496 HG23 VAL 60 HG23 VAL 60 -13.816 -7.511 6.512 497 H VAL 61 H VAL 61 -10.289 -5.050 7.143 498 HA VAL 61 HA VAL 61 -7.604 -5.902 8.043 499 HB VAL 61 HB VAL 61 -6.651 -3.907 6.870 500 HG11 VAL 61 HG11 VAL 61 -6.741 -6.439 5.970 501 HG12 VAL 61 HG12 VAL 61 -7.612 -5.599 4.635 502 HG13 VAL 61 HG13 VAL 61 -5.987 -5.109 5.080 503 HG21 VAL 61 HG21 VAL 61 -9.255 -3.922 5.259 504 HG22 VAL 61 HG22 VAL 61 -8.714 -2.655 6.383 505 HG23 VAL 61 HG23 VAL 61 -7.806 -2.975 4.908 506 H GLU 62 H GLU 62 -6.517 -3.925 9.095 507 HA GLU 62 HA GLU 62 -8.449 -2.480 10.807 508 HB2 GLU 62 HB2 GLU 62 -5.397 -2.450 10.776 509 HB3 GLU 62 HB3 GLU 62 -6.455 -1.727 11.981 510 HG2 GLU 62 HG2 GLU 62 -7.359 -4.324 12.051 511 HG3 GLU 62 HG3 GLU 62 -5.685 -4.561 11.588 512 H ILE 63 H ILE 63 -7.329 -0.188 11.183 513 HA ILE 63 HA ILE 63 -7.738 1.294 8.665 514 HB ILE 63 HB ILE 63 -7.208 2.335 11.500 515 HG12 ILE 63 HG12 ILE 63 -9.834 1.858 10.069 516 HG13 ILE 63 HG13 ILE 63 -9.257 0.952 11.477 517 HG21 ILE 63 HG21 ILE 63 -8.517 3.734 9.140 518 HG22 ILE 63 HG22 ILE 63 -8.298 4.455 10.741 519 HG23 ILE 63 HG23 ILE 63 -6.899 4.121 9.758 520 HD11 ILE 63 HD11 ILE 63 -10.321 3.778 11.406 521 HD12 ILE 63 HD12 ILE 63 -10.913 2.384 12.310 522 HD13 ILE 63 HD13 ILE 63 -9.379 3.149 12.779 523 H GLY 64 H GLY 64 -5.147 -0.245 9.985 524 HA2 GLY 64 HA2 GLY 64 -3.173 1.757 9.002 525 HA3 GLY 64 HA3 GLY 64 -3.043 1.129 10.643 526 H ASP 65 H ASP 65 -4.042 -0.677 7.715 527 HA ASP 65 HA ASP 65 -1.630 -2.390 7.956 528 HB2 ASP 65 HB2 ASP 65 -4.305 -3.168 6.926 529 HB3 ASP 65 HB3 ASP 65 -2.888 -4.189 7.011 530 H VAL 66 H VAL 66 -1.179 -3.572 5.657 531 HA VAL 66 HA VAL 66 -2.089 -1.923 3.382 532 HB VAL 66 HB VAL 66 0.807 -2.444 4.106 533 HG11 VAL 66 HG11 VAL 66 0.695 -3.016 1.771 534 HG12 VAL 66 HG12 VAL 66 -0.246 -1.550 1.407 535 HG13 VAL 66 HG13 VAL 66 1.445 -1.433 1.944 536 HG21 VAL 66 HG21 VAL 66 0.920 0.038 3.680 537 HG22 VAL 66 HG22 VAL 66 -0.872 0.010 3.582 538 HG23 VAL 66 HG23 VAL 66 -0.037 -0.508 5.054 539 H GLY 67 H GLY 67 -2.580 -3.083 1.591 540 HA2 GLY 67 HA2 GLY 67 -1.745 -5.945 1.527 541 HA3 GLY 67 HA3 GLY 67 -3.378 -5.339 1.171 542 H TYR 68 H TYR 68 -2.137 -6.827 -0.746 543 HA TYR 68 HA TYR 68 -1.119 -4.935 -2.811 544 HB2 TYR 68 HB2 TYR 68 -0.173 -6.690 -3.860 545 HB3 TYR 68 HB3 TYR 68 0.016 -7.199 -2.208 546 HD1 TYR 68 HD1 TYR 68 -2.960 -8.340 -1.956 547 HD2 TYR 68 HD2 TYR 68 0.125 -8.749 -4.942 548 HE1 TYR 68 HE1 TYR 68 -3.966 -10.462 -2.693 549 HE2 TYR 68 HE2 TYR 68 -0.828 -10.889 -5.632 550 HH TYR 68 HH TYR 68 -2.617 -12.574 -5.218 551 H TRP 69 H TRP 69 -2.144 -4.972 -5.043 552 HA TRP 69 HA TRP 69 -4.939 -5.933 -4.944 553 HB2 TRP 69 HB2 TRP 69 -4.554 -3.452 -4.473 554 HB3 TRP 69 HB3 TRP 69 -4.224 -3.304 -6.179 555 HD1 TRP 69 HD1 TRP 69 -6.936 -5.177 -4.164 556 HE1 TRP 69 HE1 TRP 69 -9.282 -4.532 -5.046 557 HE3 TRP 69 HE3 TRP 69 -5.605 -1.871 -7.847 558 HZ2 TRP 69 HZ2 TRP 69 -10.406 -2.676 -6.815 559 HZ3 TRP 69 HZ3 TRP 69 -7.368 -0.586 -9.036 560 HH2 TRP 69 HH2 TRP 69 -9.782 -0.984 -8.471 561 HA PRO 70 HA PRO 70 -2.822 -7.699 -8.586 562 HB2 PRO 70 HB2 PRO 70 -4.258 -10.038 -8.693 563 HB3 PRO 70 HB3 PRO 70 -2.893 -9.713 -7.591 564 HG2 PRO 70 HG2 PRO 70 -5.781 -9.770 -6.940 565 HG3 PRO 70 HG3 PRO 70 -4.393 -10.309 -5.984 566 HD2 PRO 70 HD2 PRO 70 -5.661 -7.805 -5.782 567 HD3 PRO 70 HD3 PRO 70 -4.135 -8.177 -5.087 568 HA PRO 71 HA PRO 71 -6.953 -7.795 -11.019 569 HB2 PRO 71 HB2 PRO 71 -9.010 -6.153 -10.150 570 HB3 PRO 71 HB3 PRO 71 -8.855 -7.897 -9.808 571 HG2 PRO 71 HG2 PRO 71 -8.282 -5.588 -7.995 572 HG3 PRO 71 HG3 PRO 71 -8.721 -7.275 -7.519 573 HD2 PRO 71 HD2 PRO 71 -6.300 -6.270 -7.352 574 HD3 PRO 71 HD3 PRO 71 -6.696 -8.023 -7.492 575 H GLY 72 H GLY 72 -6.337 -4.646 -9.354 576 HA2 GLY 72 HA2 GLY 72 -6.250 -3.237 -11.928 577 HA3 GLY 72 HA3 GLY 72 -6.224 -2.538 -10.321 578 H LYS 73 H LYS 73 -3.934 -4.785 -9.961 579 HA LYS 73 HA LYS 73 -1.710 -4.840 -9.768 580 HB2 LYS 73 HB2 LYS 73 -1.692 -3.307 -12.394 581 HB3 LYS 73 HB3 LYS 73 -0.240 -3.683 -11.495 582 HG2 LYS 73 HG2 LYS 73 -0.554 -5.254 -13.277 583 HG3 LYS 73 HG3 LYS 73 -0.571 -6.045 -11.704 584 HD2 LYS 73 HD2 LYS 73 -2.181 -7.039 -13.212 585 HD3 LYS 73 HD3 LYS 73 -3.040 -6.262 -11.875 586 HE2 LYS 73 HE2 LYS 73 -3.472 -4.284 -13.322 587 HE3 LYS 73 HE3 LYS 73 -2.545 -5.031 -14.620 588 HZ1 LYS 73 HZ1 LYS 73 -4.204 -6.806 -14.691 589 HZ2 LYS 73 HZ2 LYS 73 -4.818 -5.334 -15.018 590 HZ3 LYS 73 HZ3 LYS 73 -5.105 -6.007 -13.543 591 H ALA 74 H ALA 74 -2.282 -3.650 -7.798 592 HA ALA 74 HA ALA 74 -0.870 -1.130 -7.781 593 HB1 ALA 74 HB1 ALA 74 -2.685 0.224 -6.835 594 HB2 ALA 74 HB2 ALA 74 -3.244 -0.460 -8.364 595 HB3 ALA 74 HB3 ALA 74 -3.767 -1.162 -6.809 596 H LEU 75 H LEU 75 -0.873 -0.173 -5.566 597 HA LEU 75 HA LEU 75 -0.691 -2.171 -3.371 598 HB2 LEU 75 HB2 LEU 75 0.918 -0.017 -3.796 599 HB3 LEU 75 HB3 LEU 75 -0.404 0.818 -2.996 600 HG LEU 75 HG LEU 75 -0.111 -1.348 -1.311 601 HD11 LEU 75 HD11 LEU 75 2.207 -1.903 -1.042 602 HD12 LEU 75 HD12 LEU 75 2.678 -0.720 -2.292 603 HD13 LEU 75 HD13 LEU 75 1.750 -2.159 -2.748 604 HD21 LEU 75 HD21 LEU 75 1.571 1.160 -1.066 605 HD22 LEU 75 HD22 LEU 75 1.037 0.093 0.230 606 HD23 LEU 75 HD23 LEU 75 -0.150 1.047 -0.668 607 H CYS 76 H CYS 76 -1.808 -1.044 -1.241 608 HA CYS 76 HA CYS 76 -3.934 0.825 -1.853 609 HB2 CYS 76 HB2 CYS 76 -4.532 -1.516 -0.046 610 HB3 CYS 76 HB3 CYS 76 -5.634 -0.266 -0.502 611 HG CYS 76 HG CYS 76 -5.539 -0.862 -3.185 612 H LEU 77 H LEU 77 -4.499 1.997 0.079 613 HA LEU 77 HA LEU 77 -3.007 1.654 2.620 614 HB2 LEU 77 HB2 LEU 77 -3.009 3.978 0.672 615 HB3 LEU 77 HB3 LEU 77 -2.937 4.354 2.362 616 HG LEU 77 HG LEU 77 -0.952 2.474 0.983 617 HD11 LEU 77 HD11 LEU 77 0.593 4.391 0.832 618 HD12 LEU 77 HD12 LEU 77 -0.692 5.476 1.415 619 HD13 LEU 77 HD13 LEU 77 -0.862 4.645 -0.145 620 HD21 LEU 77 HD21 LEU 77 -0.763 4.065 3.578 621 HD22 LEU 77 HD22 LEU 77 0.518 3.045 2.885 622 HD23 LEU 77 HD23 LEU 77 -0.991 2.312 3.429 623 H PHE 78 H PHE 78 -4.971 1.134 3.749 624 HA PHE 78 HA PHE 78 -7.402 2.725 3.275 625 HB2 PHE 78 HB2 PHE 78 -7.117 0.647 5.496 626 HB3 PHE 78 HB3 PHE 78 -8.502 1.128 4.583 627 HD1 PHE 78 HD1 PHE 78 -8.926 0.378 2.310 628 HD2 PHE 78 HD2 PHE 78 -5.556 -1.153 4.526 629 HE1 PHE 78 HE1 PHE 78 -8.645 -1.416 0.661 630 HE2 PHE 78 HE2 PHE 78 -5.273 -2.993 2.810 631 HZ PHE 78 HZ PHE 78 -6.899 -3.096 0.902 632 H PHE 79 H PHE 79 -8.169 4.277 4.864 633 HA PHE 79 HA PHE 79 -6.771 4.412 7.432 634 HB2 PHE 79 HB2 PHE 79 -6.101 6.772 7.205 635 HB3 PHE 79 HB3 PHE 79 -5.176 5.636 6.270 636 HD1 PHE 79 HD1 PHE 79 -5.404 5.455 3.853 637 HD2 PHE 79 HD2 PHE 79 -7.409 8.584 6.080 638 HE1 PHE 79 HE1 PHE 79 -5.640 6.702 1.808 639 HE2 PHE 79 HE2 PHE 79 -7.674 9.872 3.986 640 HZ PHE 79 HZ PHE 79 -6.805 8.990 1.840 641 H GLY 80 H GLY 80 -9.745 4.107 6.542 642 HA2 GLY 80 HA2 GLY 80 -10.456 5.648 8.865 643 HA3 GLY 80 HA3 GLY 80 -11.232 6.307 7.422 644 H LYS 81 H LYS 81 -13.012 5.317 6.621 645 HA LYS 81 HA LYS 81 -13.519 2.536 7.484 646 HB2 LYS 81 HB2 LYS 81 -14.863 4.307 8.781 647 HB3 LYS 81 HB3 LYS 81 -15.747 4.586 7.270 648 HG2 LYS 81 HG2 LYS 81 -16.457 2.215 7.248 649 HG3 LYS 81 HG3 LYS 81 -15.417 1.874 8.634 650 HD2 LYS 81 HD2 LYS 81 -17.325 2.063 9.778 651 HD3 LYS 81 HD3 LYS 81 -16.959 3.771 9.781 652 HE2 LYS 81 HE2 LYS 81 -18.849 2.272 7.873 653 HE3 LYS 81 HE3 LYS 81 -19.311 3.336 9.200 654 HZ1 LYS 81 HZ1 LYS 81 -18.169 5.136 7.973 655 HZ2 LYS 81 HZ2 LYS 81 -19.491 4.503 7.193 656 HZ3 LYS 81 HZ3 LYS 81 -17.989 4.147 6.683 657 H THR 82 H THR 82 -13.289 4.643 4.979 658 HA THR 82 HA THR 82 -13.516 4.523 2.746 659 HB THR 82 HB THR 82 -13.499 1.868 2.004 660 HG1 THR 82 HG1 THR 82 -12.735 0.630 3.437 661 HG21 THR 82 HG21 THR 82 -11.763 3.242 1.170 662 HG22 THR 82 HG22 THR 82 -10.934 2.012 2.097 663 HG23 THR 82 HG23 THR 82 -11.166 3.627 2.805 664 HA PRO 83 HA PRO 83 -17.660 4.131 1.559 665 HB2 PRO 83 HB2 PRO 83 -17.638 3.758 -1.155 666 HB3 PRO 83 HB3 PRO 83 -17.039 5.256 -0.373 667 HG2 PRO 83 HG2 PRO 83 -15.436 2.844 -1.312 668 HG3 PRO 83 HG3 PRO 83 -15.130 4.581 -1.660 669 HD2 PRO 83 HD2 PRO 83 -13.831 3.317 0.336 670 HD3 PRO 83 HD3 PRO 83 -14.435 4.991 0.545 671 H MET 84 H MET 84 -15.714 1.254 0.997 672 HA MET 84 HA MET 84 -18.049 -0.271 0.018 673 HB2 MET 84 HB2 MET 84 -15.669 -0.046 -1.061 674 HB3 MET 84 HB3 MET 84 -15.219 -1.323 0.060 675 HG2 MET 84 HG2 MET 84 -17.736 -1.879 -1.407 676 HG3 MET 84 HG3 MET 84 -16.398 -1.519 -2.476 677 HE1 MET 84 HE1 MET 84 -17.184 -5.373 -0.214 678 HE2 MET 84 HE2 MET 84 -17.484 -3.808 0.550 679 HE3 MET 84 HE3 MET 84 -18.336 -4.228 -0.946 680 H SER 85 H SER 85 -18.478 0.365 2.577 681 HA SER 85 HA SER 85 -18.632 -2.217 3.722 682 HB2 SER 85 HB2 SER 85 -16.343 -0.575 4.558 683 HB3 SER 85 HB3 SER 85 -17.407 -0.985 5.905 684 HG SER 85 HG SER 85 -16.432 -2.706 3.904 685 H ASP 86 H ASP 86 -19.402 -1.805 6.201 686 HA ASP 86 HA ASP 86 -21.205 0.505 6.406 687 HB2 ASP 86 HB2 ASP 86 -22.271 -1.556 5.141 688 HB3 ASP 86 HB3 ASP 86 -22.311 -2.315 6.728 689 H ASP 87 H ASP 87 -19.887 -2.532 7.857 690 HA ASP 87 HA ASP 87 -20.514 -1.500 10.586 691 HB2 ASP 87 HB2 ASP 87 -19.758 -4.205 9.467 692 HB3 ASP 87 HB3 ASP 87 -19.628 -3.871 11.185 693 H LYS 88 H LYS 88 -17.771 -2.987 8.778 694 HA LYS 88 HA LYS 88 -15.795 -1.676 10.579 695 HB2 LYS 88 HB2 LYS 88 -14.490 -3.716 10.674 696 HB3 LYS 88 HB3 LYS 88 -16.081 -4.048 11.280 697 HG2 LYS 88 HG2 LYS 88 -16.556 -4.810 8.762 698 HG3 LYS 88 HG3 LYS 88 -14.801 -4.938 8.692 699 HD2 LYS 88 HD2 LYS 88 -15.563 -7.100 9.374 700 HD3 LYS 88 HD3 LYS 88 -15.008 -6.338 10.881 701 HE2 LYS 88 HE2 LYS 88 -17.578 -5.508 10.945 702 HE3 LYS 88 HE3 LYS 88 -17.807 -6.867 9.846 703 HZ1 LYS 88 HZ1 LYS 88 -16.813 -6.985 12.636 704 HZ2 LYS 88 HZ2 LYS 88 -16.721 -8.255 11.610 705 HZ3 LYS 88 HZ3 LYS 88 -18.181 -7.637 12.031 706 H ILE 89 H ILE 89 -13.408 -2.250 9.310 707 HA ILE 89 HA ILE 89 -13.820 -0.887 6.737 708 HB ILE 89 HB ILE 89 -11.265 -1.788 8.155 709 HG12 ILE 89 HG12 ILE 89 -11.234 0.970 8.032 710 HG13 ILE 89 HG13 ILE 89 -12.960 0.680 8.222 711 HG21 ILE 89 HG21 ILE 89 -10.897 -1.668 5.712 712 HG22 ILE 89 HG22 ILE 89 -11.598 -0.036 5.687 713 HG23 ILE 89 HG23 ILE 89 -10.076 -0.351 6.544 714 HD11 ILE 89 HD11 ILE 89 -10.733 -0.305 10.017 715 HD12 ILE 89 HD12 ILE 89 -11.888 1.022 10.356 716 HD13 ILE 89 HD13 ILE 89 -12.467 -0.653 10.281 717 H GLN 90 H GLN 90 -13.728 -1.875 4.811 718 HA GLN 90 HA GLN 90 -12.563 -4.577 4.653 719 HB2 GLN 90 HB2 GLN 90 -15.134 -3.598 3.382 720 HB3 GLN 90 HB3 GLN 90 -14.280 -4.879 2.668 721 HG2 GLN 90 HG2 GLN 90 -14.211 -6.034 4.965 722 HG3 GLN 90 HG3 GLN 90 -15.395 -4.846 5.499 723 HE21 GLN 90 HE21 GLN 90 -14.782 -7.270 2.868 724 HE22 GLN 90 HE22 GLN 90 -16.444 -7.770 2.715 725 HA PRO 91 HA PRO 91 -10.261 -2.611 1.354 726 HB2 PRO 91 HB2 PRO 91 -9.382 -4.805 0.008 727 HB3 PRO 91 HB3 PRO 91 -8.789 -4.436 1.674 728 HG2 PRO 91 HG2 PRO 91 -11.069 -6.299 0.903 729 HG3 PRO 91 HG3 PRO 91 -9.657 -6.684 1.932 730 HD2 PRO 91 HD2 PRO 91 -12.076 -5.917 2.880 731 HD3 PRO 91 HD3 PRO 91 -10.564 -5.391 3.695 732 H ALA 92 H ALA 92 -10.113 -2.835 -1.188 733 HA ALA 92 HA ALA 92 -12.778 -3.023 -2.253 734 HB1 ALA 92 HB1 ALA 92 -11.032 -1.451 -3.176 735 HB2 ALA 92 HB2 ALA 92 -10.138 -2.847 -3.777 736 HB3 ALA 92 HB3 ALA 92 -11.746 -2.489 -4.417 737 H SER 93 H SER 93 -10.466 -5.508 -1.557 738 HA SER 93 HA SER 93 -11.726 -7.510 -3.224 739 HB2 SER 93 HB2 SER 93 -10.454 -6.342 -4.927 740 HB3 SER 93 HB3 SER 93 -9.030 -6.279 -3.883 741 HG SER 93 HG SER 93 -10.040 -8.359 -5.445 742 H ALA 94 H ALA 94 -10.156 -9.524 -3.066 743 HA ALA 94 HA ALA 94 -9.586 -10.023 -0.225 744 HB1 ALA 94 HB1 ALA 94 -10.593 -11.752 -1.658 745 HB2 ALA 94 HB2 ALA 94 -9.119 -11.801 -2.654 746 HB3 ALA 94 HB3 ALA 94 -9.053 -12.280 -0.940 747 H VAL 95 H VAL 95 -8.077 -8.129 -0.324 748 HA VAL 95 HA VAL 95 -5.489 -8.389 -1.596 749 HB VAL 95 HB VAL 95 -4.934 -6.390 -0.372 750 HG11 VAL 95 HG11 VAL 95 -6.236 -5.893 -2.322 751 HG12 VAL 95 HG12 VAL 95 -7.769 -6.272 -1.521 752 HG13 VAL 95 HG13 VAL 95 -6.852 -4.851 -1.068 753 HG21 VAL 95 HG21 VAL 95 -5.702 -6.499 1.780 754 HG22 VAL 95 HG22 VAL 95 -6.754 -5.300 1.120 755 HG23 VAL 95 HG23 VAL 95 -7.374 -6.947 1.324 756 H ASN 96 H ASN 96 -3.459 -8.373 -0.111 757 HA ASN 96 HA ASN 96 -3.745 -10.409 2.035 758 HB2 ASN 96 HB2 ASN 96 -1.299 -10.719 1.773 759 HB3 ASN 96 HB3 ASN 96 -2.246 -11.246 0.383 760 HD21 ASN 96 HD21 ASN 96 -0.034 -11.120 -0.733 761 HD22 ASN 96 HD22 ASN 96 0.381 -9.548 -1.341 762 H VAL 97 H VAL 97 -1.920 -10.029 3.750 763 HA VAL 97 HA VAL 97 -1.861 -7.133 4.268 764 HB VAL 97 HB VAL 97 -2.099 -9.164 6.494 765 HG11 VAL 97 HG11 VAL 97 -2.850 -7.031 7.735 766 HG12 VAL 97 HG12 VAL 97 -1.153 -7.054 7.257 767 HG13 VAL 97 HG13 VAL 97 -2.322 -6.133 6.300 768 HG21 VAL 97 HG21 VAL 97 -4.318 -7.473 5.264 769 HG22 VAL 97 HG22 VAL 97 -4.220 -9.257 5.248 770 HG23 VAL 97 HG23 VAL 97 -4.452 -8.399 6.766 771 H ILE 98 H ILE 98 0.068 -8.156 2.782 772 HA ILE 98 HA ILE 98 2.351 -9.197 4.305 773 HB ILE 98 HB ILE 98 3.577 -8.810 2.198 774 HG12 ILE 98 HG12 ILE 98 0.998 -7.684 1.089 775 HG13 ILE 98 HG13 ILE 98 2.458 -6.775 1.435 776 HG21 ILE 98 HG21 ILE 98 0.918 -10.239 1.805 777 HG22 ILE 98 HG22 ILE 98 2.455 -10.619 0.999 778 HG23 ILE 98 HG23 ILE 98 2.266 -10.884 2.731 779 HD11 ILE 98 HD11 ILE 98 2.287 -9.036 -0.580 780 HD12 ILE 98 HD12 ILE 98 2.288 -7.308 -0.952 781 HD13 ILE 98 HD13 ILE 98 3.723 -8.058 -0.219 782 H GLY 99 H GLY 99 0.961 -6.021 4.005 783 HA2 GLY 99 HA2 GLY 99 3.551 -4.807 4.813 784 HA3 GLY 99 HA3 GLY 99 2.353 -4.014 3.786 785 H LYS 100 H LYS 100 3.093 -2.751 6.201 786 HA LYS 100 HA LYS 100 0.408 -2.622 7.354 787 HB2 LYS 100 HB2 LYS 100 2.364 -3.806 8.864 788 HB3 LYS 100 HB3 LYS 100 2.620 -2.159 9.309 789 HG2 LYS 100 HG2 LYS 100 0.639 -1.705 10.142 790 HG3 LYS 100 HG3 LYS 100 -0.234 -2.945 9.238 791 HD2 LYS 100 HD2 LYS 100 0.352 -4.678 10.647 792 HD3 LYS 100 HD3 LYS 100 1.601 -3.717 11.490 793 HE2 LYS 100 HE2 LYS 100 -0.075 -2.151 12.321 794 HE3 LYS 100 HE3 LYS 100 -1.327 -2.846 11.271 795 HZ1 LYS 100 HZ1 LYS 100 -1.497 -4.693 12.566 796 HZ2 LYS 100 HZ2 LYS 100 -1.369 -3.513 13.662 797 HZ3 LYS 100 HZ3 LYS 100 -0.054 -4.460 13.373 798 H ILE 101 H ILE 101 0.186 -0.423 8.504 799 HA ILE 101 HA ILE 101 1.982 1.561 7.230 800 HB ILE 101 HB ILE 101 -0.829 1.922 8.486 801 HG12 ILE 101 HG12 ILE 101 -0.119 2.096 5.540 802 HG13 ILE 101 HG13 ILE 101 -1.062 0.875 6.376 803 HG21 ILE 101 HG21 ILE 101 0.629 3.914 8.802 804 HG22 ILE 101 HG22 ILE 101 0.995 3.983 7.060 805 HG23 ILE 101 HG23 ILE 101 -0.641 4.300 7.679 806 HD11 ILE 101 HD11 ILE 101 -2.783 2.553 6.921 807 HD12 ILE 101 HD12 ILE 101 -1.903 3.704 5.901 808 HD13 ILE 101 HD13 ILE 101 -2.596 2.231 5.191 809 H VAL 102 H VAL 102 3.479 0.927 8.420 810 HA VAL 102 HA VAL 102 3.540 0.843 11.319 811 HB VAL 102 HB VAL 102 5.183 0.238 9.172 812 HG11 VAL 102 HG11 VAL 102 7.266 0.947 9.148 813 HG12 VAL 102 HG12 VAL 102 6.097 2.207 8.622 814 HG13 VAL 102 HG13 VAL 102 6.855 2.320 10.250 815 HG21 VAL 102 HG21 VAL 102 4.854 -1.103 10.609 816 HG22 VAL 102 HG22 VAL 102 6.627 -0.765 10.719 817 HG23 VAL 102 HG23 VAL 102 5.616 -0.126 11.999 818 H GLU 103 H GLU 103 3.973 3.555 8.895 819 HA GLU 103 HA GLU 103 3.999 5.474 11.108 820 HB2 GLU 103 HB2 GLU 103 6.262 4.460 9.610 821 HB3 GLU 103 HB3 GLU 103 5.998 6.192 9.203 822 HG2 GLU 103 HG2 GLU 103 6.044 6.612 11.508 823 HG3 GLU 103 HG3 GLU 103 6.439 4.971 11.950 824 H GLY 104 H GLY 104 3.443 7.633 10.323 825 HA2 GLY 104 HA2 GLY 104 2.439 9.155 8.920 826 HA3 GLY 104 HA3 GLY 104 2.974 8.186 7.561 827 H LEU 105 H LEU 105 0.551 7.771 10.209 828 HA LEU 105 HA LEU 105 -1.305 6.507 8.275 829 HB2 LEU 105 HB2 LEU 105 -1.009 5.746 10.725 830 HB3 LEU 105 HB3 LEU 105 -1.746 7.271 11.205 831 HG LEU 105 HG LEU 105 -3.714 6.607 9.596 832 HD11 LEU 105 HD11 LEU 105 -2.956 4.781 8.351 833 HD12 LEU 105 HD12 LEU 105 -3.855 3.995 9.649 834 HD13 LEU 105 HD13 LEU 105 -2.106 4.045 9.733 835 HD21 LEU 105 HD21 LEU 105 -3.901 6.686 12.027 836 HD22 LEU 105 HD22 LEU 105 -3.300 5.008 12.128 837 HD23 LEU 105 HD23 LEU 105 -4.830 5.380 11.282 838 H GLU 106 H GLU 106 -1.169 9.447 10.319 839 HA GLU 106 HA GLU 106 -3.846 10.305 9.519 840 HB2 GLU 106 HB2 GLU 106 -1.672 11.867 10.998 841 HB3 GLU 106 HB3 GLU 106 -3.405 12.224 10.922 842 HG2 GLU 106 HG2 GLU 106 -3.748 9.876 11.970 843 HG3 GLU 106 HG3 GLU 106 -2.004 9.897 12.274 844 H ASP 107 H ASP 107 -0.596 10.797 8.402 845 HA ASP 107 HA ASP 107 -0.951 13.307 7.094 846 HB2 ASP 107 HB2 ASP 107 1.235 13.132 6.774 847 HB3 ASP 107 HB3 ASP 107 1.208 11.566 7.549 848 H LEU 108 H LEU 108 -1.765 10.021 6.169 849 HA LEU 108 HA LEU 108 -2.085 10.299 3.447 850 HB2 LEU 108 HB2 LEU 108 -3.813 8.701 5.373 851 HB3 LEU 108 HB3 LEU 108 -3.708 8.424 3.646 852 HG LEU 108 HG LEU 108 -1.390 8.144 5.594 853 HD11 LEU 108 HD11 LEU 108 -2.998 6.034 4.109 854 HD12 LEU 108 HD12 LEU 108 -3.055 6.377 5.857 855 HD13 LEU 108 HD13 LEU 108 -1.569 5.760 5.137 856 HD21 LEU 108 HD21 LEU 108 -0.488 8.787 3.447 857 HD22 LEU 108 HD22 LEU 108 -1.547 7.617 2.595 858 HD23 LEU 108 HD23 LEU 108 -0.239 7.061 3.662 859 H LYS 109 H LYS 109 -4.113 11.860 5.876 860 HA LYS 109 HA LYS 109 -6.288 12.394 4.030 861 HB2 LYS 109 HB2 LYS 109 -5.432 13.693 6.664 862 HB3 LYS 109 HB3 LYS 109 -6.847 14.157 5.736 863 HG2 LYS 109 HG2 LYS 109 -7.090 11.369 5.926 864 HG3 LYS 109 HG3 LYS 109 -6.436 11.818 7.479 865 HD2 LYS 109 HD2 LYS 109 -8.563 13.704 6.951 866 HD3 LYS 109 HD3 LYS 109 -9.119 12.124 6.385 867 HE2 LYS 109 HE2 LYS 109 -9.776 11.956 8.573 868 HE3 LYS 109 HE3 LYS 109 -8.118 11.313 8.669 869 HZ1 LYS 109 HZ1 LYS 109 -8.878 14.090 9.343 870 HZ2 LYS 109 HZ2 LYS 109 -7.360 13.407 9.435 871 HZ3 LYS 109 HZ3 LYS 109 -8.561 12.882 10.414 872 H LYS 110 H LYS 110 -3.105 13.873 4.337 873 HA LYS 110 HA LYS 110 -4.078 16.462 3.260 874 HB2 LYS 110 HB2 LYS 110 -1.900 17.310 3.467 875 HB3 LYS 110 HB3 LYS 110 -2.253 16.409 4.919 876 HG2 LYS 110 HG2 LYS 110 -0.954 14.557 3.210 877 HG3 LYS 110 HG3 LYS 110 -0.104 16.058 2.968 878 HD2 LYS 110 HD2 LYS 110 -0.663 14.880 5.716 879 HD3 LYS 110 HD3 LYS 110 0.755 14.484 4.764 880 HE2 LYS 110 HE2 LYS 110 1.438 16.042 6.374 881 HE3 LYS 110 HE3 LYS 110 1.436 16.878 4.827 882 HZ1 LYS 110 HZ1 LYS 110 -0.662 17.902 5.471 883 HZ2 LYS 110 HZ2 LYS 110 0.480 18.207 6.592 884 HZ3 LYS 110 HZ3 LYS 110 -0.675 17.070 6.901 885 H ILE 111 H ILE 111 -4.034 13.662 1.769 886 HA ILE 111 HA ILE 111 -2.308 14.363 -0.508 887 HB ILE 111 HB ILE 111 -3.616 11.758 0.343 888 HG12 ILE 111 HG12 ILE 111 -2.080 12.497 2.147 889 HG13 ILE 111 HG13 ILE 111 -1.530 11.068 1.346 890 HG21 ILE 111 HG21 ILE 111 -2.982 11.589 -1.939 891 HG22 ILE 111 HG22 ILE 111 -1.402 12.369 -1.644 892 HG23 ILE 111 HG23 ILE 111 -1.757 10.757 -0.992 893 HD11 ILE 111 HD11 ILE 111 0.187 12.345 0.123 894 HD12 ILE 111 HD12 ILE 111 -0.422 13.862 0.832 895 HD13 ILE 111 HD13 ILE 111 0.308 12.621 1.867 896 H LYS 112 H LYS 112 -3.086 13.914 -2.634 897 HA LYS 112 HA LYS 112 -6.021 13.970 -3.112 898 HB2 LYS 112 HB2 LYS 112 -4.052 15.472 -4.843 899 HB3 LYS 112 HB3 LYS 112 -5.787 15.492 -4.952 900 HG2 LYS 112 HG2 LYS 112 -4.430 16.423 -2.428 901 HG3 LYS 112 HG3 LYS 112 -4.445 17.425 -3.848 902 HD2 LYS 112 HD2 LYS 112 -6.778 17.732 -3.792 903 HD3 LYS 112 HD3 LYS 112 -7.053 16.242 -2.873 904 HE2 LYS 112 HE2 LYS 112 -7.346 18.385 -1.550 905 HE3 LYS 112 HE3 LYS 112 -6.284 17.140 -0.870 906 HZ1 LYS 112 HZ1 LYS 112 -5.344 19.421 -0.758 907 HZ2 LYS 112 HZ2 LYS 112 -5.262 19.434 -2.402 908 HZ3 LYS 112 HZ3 LYS 112 -4.382 18.356 -1.546 909 H ASP 113 H ASP 113 -6.295 13.520 -5.573 910 HA ASP 113 HA ASP 113 -5.555 10.848 -6.007 911 HB2 ASP 113 HB2 ASP 113 -7.678 12.094 -6.588 912 HB3 ASP 113 HB3 ASP 113 -6.805 12.768 -7.966 913 H GLY 114 H GLY 114 -3.485 13.305 -6.545 914 HA2 GLY 114 HA2 GLY 114 -1.932 11.868 -8.563 915 HA3 GLY 114 HA3 GLY 114 -2.641 13.374 -9.164 916 H GLU 115 H GLU 115 -1.272 12.472 -5.989 917 HA GLU 115 HA GLU 115 0.438 14.910 -5.997 918 HB2 GLU 115 HB2 GLU 115 -0.569 13.053 -3.819 919 HB3 GLU 115 HB3 GLU 115 0.588 14.356 -3.524 920 HG2 GLU 115 HG2 GLU 115 -2.080 14.871 -4.828 921 HG3 GLU 115 HG3 GLU 115 -1.843 14.823 -3.074 922 H LYS 116 H LYS 116 1.136 12.593 -7.495 923 HA LYS 116 HA LYS 116 2.949 11.201 -7.987 924 HB2 LYS 116 HB2 LYS 116 3.694 14.030 -7.462 925 HB3 LYS 116 HB3 LYS 116 5.061 12.924 -7.497 926 HG2 LYS 116 HG2 LYS 116 4.160 11.950 -9.645 927 HG3 LYS 116 HG3 LYS 116 2.934 13.206 -9.613 928 HD2 LYS 116 HD2 LYS 116 5.066 14.818 -9.380 929 HD3 LYS 116 HD3 LYS 116 5.978 13.370 -9.833 930 HE2 LYS 116 HE2 LYS 116 5.656 14.048 -11.935 931 HE3 LYS 116 HE3 LYS 116 4.052 13.335 -11.765 932 HZ1 LYS 116 HZ1 LYS 116 4.771 16.182 -11.347 933 HZ2 LYS 116 HZ2 LYS 116 3.322 15.574 -10.940 934 HZ3 LYS 116 HZ3 LYS 116 3.789 15.570 -12.534 935 H VAL 117 H VAL 117 3.081 9.502 -6.679 936 HA VAL 117 HA VAL 117 4.386 9.781 -4.013 937 HB VAL 117 HB VAL 117 2.573 8.272 -3.988 938 HG11 VAL 117 HG11 VAL 117 3.897 6.524 -6.080 939 HG12 VAL 117 HG12 VAL 117 2.442 6.133 -5.156 940 HG13 VAL 117 HG13 VAL 117 2.411 7.483 -6.301 941 HG21 VAL 117 HG21 VAL 117 5.130 6.695 -3.759 942 HG22 VAL 117 HG22 VAL 117 4.482 7.823 -2.560 943 HG23 VAL 117 HG23 VAL 117 3.576 6.349 -2.966 944 H ALA 118 H ALA 118 6.570 9.353 -3.834 945 HA ALA 118 HA ALA 118 7.989 7.760 -5.926 946 HB1 ALA 118 HB1 ALA 118 10.070 8.696 -4.919 947 HB2 ALA 118 HB2 ALA 118 9.106 9.919 -5.755 948 HB3 ALA 118 HB3 ALA 118 9.070 9.828 -3.972 949 H VAL 119 H VAL 119 8.012 5.793 -5.247 950 HA VAL 119 HA VAL 119 7.856 4.897 -2.459 951 HB VAL 119 HB VAL 119 8.102 3.502 -5.179 952 HG11 VAL 119 HG11 VAL 119 7.305 1.485 -3.845 953 HG12 VAL 119 HG12 VAL 119 8.961 2.033 -3.531 954 HG13 VAL 119 HG13 VAL 119 7.628 2.434 -2.406 955 HG21 VAL 119 HG21 VAL 119 5.854 3.223 -5.351 956 HG22 VAL 119 HG22 VAL 119 5.558 3.264 -3.624 957 HG23 VAL 119 HG23 VAL 119 5.816 4.763 -4.538 958 H ARG 120 H ARG 120 9.792 4.558 -1.359 959 HA ARG 120 HA ARG 120 12.249 3.866 -2.916 960 HB2 ARG 120 HB2 ARG 120 12.667 5.574 -0.492 961 HB3 ARG 120 HB3 ARG 120 13.653 5.142 -1.737 962 HG2 ARG 120 HG2 ARG 120 12.188 6.568 -3.299 963 HG3 ARG 120 HG3 ARG 120 11.217 7.010 -1.879 964 HD2 ARG 120 HD2 ARG 120 14.206 7.369 -2.083 965 HD3 ARG 120 HD3 ARG 120 13.035 8.635 -2.521 966 HE ARG 120 HE ARG 120 12.331 7.956 0.085 967 HH11 ARG 120 HH11 ARG 120 15.405 9.112 -1.356 968 HH12 ARG 120 HH12 ARG 120 15.609 10.304 -0.093 969 HH21 ARG 120 HH21 ARG 120 12.766 9.312 1.728 970 HH22 ARG 120 HH22 ARG 120 14.147 10.350 1.789 971 H PHE 121 H PHE 121 13.915 3.178 -0.705 972 HA PHE 121 HA PHE 121 12.437 0.855 0.467 973 HB2 PHE 121 HB2 PHE 121 15.343 1.646 0.196 974 HB3 PHE 121 HB3 PHE 121 14.801 0.385 1.283 975 HD1 PHE 121 HD1 PHE 121 13.130 -1.352 0.191 976 HD2 PHE 121 HD2 PHE 121 15.733 1.230 -1.983 977 HE1 PHE 121 HE1 PHE 121 12.986 -2.881 -1.715 978 HE2 PHE 121 HE2 PHE 121 15.803 -0.410 -3.906 979 HZ PHE 121 HZ PHE 121 14.506 -2.495 -3.751 980 H ALA 122 H ALA 122 13.268 3.774 1.358 981 HA ALA 122 HA ALA 122 12.920 5.097 3.289 982 HB1 ALA 122 HB1 ALA 122 11.687 4.293 5.062 983 HB2 ALA 122 HB2 ALA 122 11.343 2.993 3.927 984 HB3 ALA 122 HB3 ALA 122 12.578 2.763 5.161 985 H SER 123 H SER 123 14.660 6.093 4.314 986 HA SER 123 HA SER 123 16.695 4.422 5.638 987 HB2 SER 123 HB2 SER 123 17.496 6.945 4.206 988 HB3 SER 123 HB3 SER 123 18.450 5.568 4.729 989 HG SER 123 HG SER 123 17.169 4.458 2.942 990 H SER 124 H SER 124 14.716 5.222 7.169 991 HA SER 124 HA SER 124 15.724 7.643 8.601 992 HB2 SER 124 HB2 SER 124 13.512 5.735 9.382 993 HB3 SER 124 HB3 SER 124 13.890 7.261 10.153 994 HG SER 124 HG SER 124 12.054 7.073 8.561 Start of MODEL 12 1 H1 MET 1 H1 MET 1 10.651 -6.061 5.054 2 HA MET 1 HA MET 1 12.875 -4.359 4.105 3 HB2 MET 1 HB2 MET 1 11.885 -5.990 2.445 4 HB3 MET 1 HB3 MET 1 10.364 -5.138 2.562 5 HG2 MET 1 HG2 MET 1 11.092 -3.651 1.052 6 HG3 MET 1 HG3 MET 1 12.433 -3.188 2.089 7 HE1 MET 1 HE1 MET 1 14.935 -3.983 1.817 8 HE2 MET 1 HE2 MET 1 14.277 -5.517 2.425 9 HE3 MET 1 HE3 MET 1 15.334 -5.509 1.010 10 H ARG 2 H ARG 2 12.697 -2.449 5.160 11 HA ARG 2 HA ARG 2 10.111 -1.130 5.672 12 HB2 ARG 2 HB2 ARG 2 13.049 -0.537 6.030 13 HB3 ARG 2 HB3 ARG 2 12.019 0.839 5.731 14 HG2 ARG 2 HG2 ARG 2 11.051 -1.140 7.716 15 HG3 ARG 2 HG3 ARG 2 12.444 -0.115 8.185 16 HD2 ARG 2 HD2 ARG 2 10.807 1.802 7.297 17 HD3 ARG 2 HD3 ARG 2 9.563 0.597 7.650 18 HE ARG 2 HE ARG 2 11.060 2.212 9.483 19 HH11 ARG 2 HH11 ARG 2 9.679 -1.149 9.421 20 HH12 ARG 2 HH12 ARG 2 9.337 -1.090 11.100 21 HH21 ARG 2 HH21 ARG 2 10.545 2.197 11.639 22 HH22 ARG 2 HH22 ARG 2 9.680 0.906 12.378 23 H VAL 3 H VAL 3 9.480 0.665 4.571 24 HA VAL 3 HA VAL 3 10.671 1.428 1.999 25 HB VAL 3 HB VAL 3 8.024 -0.038 2.169 26 HG11 VAL 3 HG11 VAL 3 8.934 1.393 -0.333 27 HG12 VAL 3 HG12 VAL 3 7.458 0.458 -0.087 28 HG13 VAL 3 HG13 VAL 3 7.662 1.996 0.750 29 HG21 VAL 3 HG21 VAL 3 9.701 -1.595 1.739 30 HG22 VAL 3 HG22 VAL 3 9.066 -1.250 0.139 31 HG23 VAL 3 HG23 VAL 3 10.590 -0.483 0.638 32 H GLU 4 H GLU 4 9.914 3.572 1.315 33 HA GLU 4 HA GLU 4 8.364 5.161 3.306 34 HB2 GLU 4 HB2 GLU 4 10.714 5.696 3.559 35 HB3 GLU 4 HB3 GLU 4 10.964 5.643 1.816 36 HG2 GLU 4 HG2 GLU 4 9.549 7.761 1.703 37 HG3 GLU 4 HG3 GLU 4 9.521 7.737 3.460 38 H LEU 5 H LEU 5 6.811 6.476 2.344 39 HA LEU 5 HA LEU 5 6.652 6.557 -0.603 40 HB2 LEU 5 HB2 LEU 5 4.556 6.512 1.631 41 HB3 LEU 5 HB3 LEU 5 4.192 6.969 -0.008 42 HG LEU 5 HG LEU 5 5.002 4.829 -0.812 43 HD11 LEU 5 HD11 LEU 5 4.975 2.837 0.809 44 HD12 LEU 5 HD12 LEU 5 5.347 4.052 2.058 45 HD13 LEU 5 HD13 LEU 5 6.422 3.810 0.658 46 HD21 LEU 5 HD21 LEU 5 2.988 3.543 -0.228 47 HD22 LEU 5 HD22 LEU 5 2.558 5.262 -0.322 48 HD23 LEU 5 HD23 LEU 5 2.797 4.506 1.268 49 H LEU 6 H LEU 6 7.659 8.467 -1.031 50 HA LEU 6 HA LEU 6 7.075 10.845 0.632 51 HB2 LEU 6 HB2 LEU 6 9.203 9.978 -1.226 52 HB3 LEU 6 HB3 LEU 6 8.588 11.560 -1.639 53 HG LEU 6 HG LEU 6 9.237 10.920 1.250 54 HD11 LEU 6 HD11 LEU 6 11.210 10.247 -0.028 55 HD12 LEU 6 HD12 LEU 6 11.508 11.664 0.986 56 HD13 LEU 6 HD13 LEU 6 11.289 11.859 -0.786 57 HD21 LEU 6 HD21 LEU 6 9.644 13.326 1.417 58 HD22 LEU 6 HD22 LEU 6 8.076 13.091 0.637 59 HD23 LEU 6 HD23 LEU 6 9.489 13.516 -0.337 60 H PHE 7 H PHE 7 5.635 12.365 -0.022 61 HA PHE 7 HA PHE 7 4.494 12.177 -2.793 62 HB2 PHE 7 HB2 PHE 7 3.070 13.201 -0.356 63 HB3 PHE 7 HB3 PHE 7 2.374 12.837 -1.914 64 HD1 PHE 7 HD1 PHE 7 3.450 11.519 1.336 65 HD2 PHE 7 HD2 PHE 7 1.827 10.551 -2.487 66 HE1 PHE 7 HE1 PHE 7 2.717 9.374 2.271 67 HE2 PHE 7 HE2 PHE 7 0.909 8.457 -1.600 68 HZ PHE 7 HZ PHE 7 1.402 7.773 0.755 69 H GLU 8 H GLU 8 3.509 14.317 -3.382 70 HA GLU 8 HA GLU 8 5.222 16.582 -3.024 71 HB2 GLU 8 HB2 GLU 8 2.344 16.277 -3.936 72 HB3 GLU 8 HB3 GLU 8 3.232 17.789 -4.075 73 HG2 GLU 8 HG2 GLU 8 4.404 15.260 -5.270 74 HG3 GLU 8 HG3 GLU 8 3.090 16.044 -6.080 75 H SER 9 H SER 9 2.375 15.462 -1.251 76 HA SER 9 HA SER 9 2.156 17.958 0.302 77 HB2 SER 9 HB2 SER 9 0.471 15.499 -0.108 78 HB3 SER 9 HB3 SER 9 0.248 16.433 1.374 79 HG SER 9 HG SER 9 0.023 17.361 -1.313 80 H GLY 10 H GLY 10 4.047 15.046 0.820 81 HA2 GLY 10 HA2 GLY 10 4.730 15.474 3.464 82 HA3 GLY 10 HA3 GLY 10 3.177 14.608 3.515 83 H LYS 11 H LYS 11 4.348 12.660 4.448 84 HA LYS 11 HA LYS 11 5.062 10.898 2.404 85 HB2 LYS 11 HB2 LYS 11 7.278 10.267 3.046 86 HB3 LYS 11 HB3 LYS 11 7.232 11.928 2.466 87 HG2 LYS 11 HG2 LYS 11 7.588 12.841 4.638 88 HG3 LYS 11 HG3 LYS 11 7.270 11.274 5.427 89 HD2 LYS 11 HD2 LYS 11 9.241 10.284 4.377 90 HD3 LYS 11 HD3 LYS 11 9.572 11.780 3.480 91 HE2 LYS 11 HE2 LYS 11 10.059 12.992 5.496 92 HE3 LYS 11 HE3 LYS 11 9.440 11.675 6.505 93 HZ1 LYS 11 HZ1 LYS 11 11.267 10.294 5.744 94 HZ2 LYS 11 HZ2 LYS 11 11.856 11.683 6.396 95 HZ3 LYS 11 HZ3 LYS 11 11.839 11.462 4.774 96 H CYS 12 H CYS 12 5.476 8.739 3.315 97 HA CYS 12 HA CYS 12 4.938 8.485 6.212 98 HB2 CYS 12 HB2 CYS 12 3.171 6.976 6.118 99 HB3 CYS 12 HB3 CYS 12 2.750 8.138 4.865 100 HG CYS 12 HG CYS 12 2.078 6.015 3.720 101 H VAL 13 H VAL 13 5.116 5.986 6.720 102 HA VAL 13 HA VAL 13 7.366 4.797 5.227 103 HB VAL 13 HB VAL 13 7.455 5.033 8.241 104 HG11 VAL 13 HG11 VAL 13 9.517 4.180 6.189 105 HG12 VAL 13 HG12 VAL 13 9.805 4.314 7.944 106 HG13 VAL 13 HG13 VAL 13 8.656 3.122 7.321 107 HG21 VAL 13 HG21 VAL 13 8.972 6.759 6.244 108 HG22 VAL 13 HG22 VAL 13 7.758 7.310 7.425 109 HG23 VAL 13 HG23 VAL 13 9.279 6.670 8.015 110 H ILE 14 H ILE 14 7.019 2.658 4.969 111 HA ILE 14 HA ILE 14 4.968 1.336 6.636 112 HB ILE 14 HB ILE 14 4.242 0.072 4.773 113 HG12 ILE 14 HG12 ILE 14 6.192 1.562 2.959 114 HG13 ILE 14 HG13 ILE 14 6.420 -0.082 3.596 115 HG21 ILE 14 HG21 ILE 14 3.022 1.729 3.553 116 HG22 ILE 14 HG22 ILE 14 3.269 2.382 5.175 117 HG23 ILE 14 HG23 ILE 14 4.264 2.970 3.841 118 HD11 ILE 14 HD11 ILE 14 5.599 -0.291 1.386 119 HD12 ILE 14 HD12 ILE 14 4.314 -0.773 2.509 120 HD13 ILE 14 HD13 ILE 14 4.260 0.808 1.702 121 H ASP 15 H ASP 15 5.267 -0.901 6.820 122 HA ASP 15 HA ASP 15 8.068 -1.920 6.516 123 HB2 ASP 15 HB2 ASP 15 7.174 -1.390 8.836 124 HB3 ASP 15 HB3 ASP 15 6.009 -2.705 8.624 125 H LEU 16 H LEU 16 8.187 -3.707 5.131 126 HA LEU 16 HA LEU 16 5.682 -5.261 4.611 127 HB2 LEU 16 HB2 LEU 16 8.033 -4.698 2.800 128 HB3 LEU 16 HB3 LEU 16 6.628 -5.656 2.371 129 HG LEU 16 HG LEU 16 6.595 -2.657 2.943 130 HD11 LEU 16 HD11 LEU 16 6.569 -4.143 0.307 131 HD12 LEU 16 HD12 LEU 16 7.945 -3.256 0.974 132 HD13 LEU 16 HD13 LEU 16 6.475 -2.378 0.540 133 HD21 LEU 16 HD21 LEU 16 4.483 -4.643 2.032 134 HD22 LEU 16 HD22 LEU 16 4.374 -2.924 1.613 135 HD23 LEU 16 HD23 LEU 16 4.407 -3.402 3.311 136 H ASN 17 H ASN 17 5.866 -7.406 4.757 137 HA ASN 17 HA ASN 17 8.164 -8.585 6.158 138 HB2 ASN 17 HB2 ASN 17 5.828 -9.288 6.656 139 HB3 ASN 17 HB3 ASN 17 5.642 -9.808 4.974 140 HD21 ASN 17 HD21 ASN 17 5.592 -12.106 5.049 141 HD22 ASN 17 HD22 ASN 17 6.768 -13.031 5.951 142 H GLU 18 H GLU 18 9.793 -9.948 5.256 143 HA GLU 18 HA GLU 18 9.880 -10.048 2.345 144 HB2 GLU 18 HB2 GLU 18 11.978 -10.231 4.496 145 HB3 GLU 18 HB3 GLU 18 12.304 -10.656 2.808 146 HG2 GLU 18 HG2 GLU 18 11.511 -8.459 2.056 147 HG3 GLU 18 HG3 GLU 18 11.225 -7.986 3.724 148 H GLU 19 H GLU 19 8.065 -11.906 3.528 149 HA GLU 19 HA GLU 19 9.410 -14.401 2.546 150 HB2 GLU 19 HB2 GLU 19 7.166 -14.414 4.571 151 HB3 GLU 19 HB3 GLU 19 8.042 -15.783 3.891 152 HG2 GLU 19 HG2 GLU 19 10.155 -14.890 4.935 153 HG3 GLU 19 HG3 GLU 19 9.138 -13.740 5.828 154 H TYR 20 H TYR 20 7.895 -12.192 1.131 155 HA TYR 20 HA TYR 20 5.780 -13.900 -0.094 156 HB2 TYR 20 HB2 TYR 20 5.467 -10.949 0.437 157 HB3 TYR 20 HB3 TYR 20 4.306 -12.002 -0.250 158 HD1 TYR 20 HD1 TYR 20 4.149 -14.371 1.546 159 HD2 TYR 20 HD2 TYR 20 4.728 -10.214 2.562 160 HE1 TYR 20 HE1 TYR 20 3.046 -14.748 3.729 161 HE2 TYR 20 HE2 TYR 20 3.574 -10.604 4.730 162 HH TYR 20 HH TYR 20 2.538 -13.828 5.864 163 H GLU 21 H GLU 21 5.756 -13.971 -2.210 164 HA GLU 21 HA GLU 21 7.865 -13.346 -3.917 165 HB2 GLU 21 HB2 GLU 21 5.877 -14.872 -4.343 166 HB3 GLU 21 HB3 GLU 21 4.891 -13.444 -4.585 167 HG2 GLU 21 HG2 GLU 21 5.396 -14.037 -6.759 168 HG3 GLU 21 HG3 GLU 21 6.591 -12.788 -6.463 169 H VAL 22 H VAL 22 4.841 -11.305 -3.562 170 HA VAL 22 HA VAL 22 5.894 -9.392 -5.383 171 HB VAL 22 HB VAL 22 3.491 -9.751 -4.573 172 HG11 VAL 22 HG11 VAL 22 3.897 -9.564 -2.130 173 HG12 VAL 22 HG12 VAL 22 4.267 -7.839 -2.358 174 HG13 VAL 22 HG13 VAL 22 2.653 -8.453 -2.741 175 HG21 VAL 22 HG21 VAL 22 4.371 -6.845 -4.565 176 HG22 VAL 22 HG22 VAL 22 4.279 -7.809 -6.044 177 HG23 VAL 22 HG23 VAL 22 2.825 -7.513 -5.081 178 H VAL 23 H VAL 23 6.492 -9.481 -1.846 179 HA VAL 23 HA VAL 23 7.574 -6.820 -1.955 180 HB VAL 23 HB VAL 23 8.046 -9.074 0.049 181 HG11 VAL 23 HG11 VAL 23 9.791 -7.346 0.307 182 HG12 VAL 23 HG12 VAL 23 8.547 -6.075 0.345 183 HG13 VAL 23 HG13 VAL 23 8.657 -7.279 1.650 184 HG21 VAL 23 HG21 VAL 23 6.051 -6.772 0.064 185 HG22 VAL 23 HG22 VAL 23 5.664 -8.501 -0.081 186 HG23 VAL 23 HG23 VAL 23 6.336 -7.882 1.418 187 H LYS 24 H LYS 24 8.874 -10.068 -2.713 188 HA LYS 24 HA LYS 24 11.648 -9.274 -2.889 189 HB2 LYS 24 HB2 LYS 24 10.244 -11.460 -4.487 190 HB3 LYS 24 HB3 LYS 24 11.955 -11.315 -4.133 191 HG2 LYS 24 HG2 LYS 24 11.536 -11.724 -1.744 192 HG3 LYS 24 HG3 LYS 24 9.800 -11.723 -2.040 193 HD2 LYS 24 HD2 LYS 24 9.894 -13.716 -3.377 194 HD3 LYS 24 HD3 LYS 24 11.635 -13.720 -3.292 195 HE2 LYS 24 HE2 LYS 24 10.816 -13.558 -0.580 196 HE3 LYS 24 HE3 LYS 24 9.612 -14.626 -1.322 197 HZ1 LYS 24 HZ1 LYS 24 11.578 -15.873 -2.218 198 HZ2 LYS 24 HZ2 LYS 24 11.361 -15.990 -0.609 199 HZ3 LYS 24 HZ3 LYS 24 12.532 -14.974 -1.178 200 H LEU 25 H LEU 25 8.902 -9.387 -5.283 201 HA LEU 25 HA LEU 25 10.569 -8.670 -7.516 202 HB2 LEU 25 HB2 LEU 25 7.576 -8.539 -7.022 203 HB3 LEU 25 HB3 LEU 25 8.383 -8.162 -8.536 204 HG LEU 25 HG LEU 25 7.335 -10.585 -7.846 205 HD11 LEU 25 HD11 LEU 25 7.799 -9.748 -10.109 206 HD12 LEU 25 HD12 LEU 25 8.371 -11.414 -9.886 207 HD13 LEU 25 HD13 LEU 25 9.543 -10.052 -9.848 208 HD21 LEU 25 HD21 LEU 25 8.995 -11.353 -6.411 209 HD22 LEU 25 HD22 LEU 25 10.318 -10.905 -7.530 210 HD23 LEU 25 HD23 LEU 25 9.200 -12.207 -7.926 211 H LEU 26 H LEU 26 8.535 -6.921 -5.213 212 HA LEU 26 HA LEU 26 8.581 -4.346 -6.278 213 HB2 LEU 26 HB2 LEU 26 8.142 -5.687 -3.685 214 HB3 LEU 26 HB3 LEU 26 8.790 -4.124 -3.450 215 HG LEU 26 HG LEU 26 6.244 -4.568 -3.391 216 HD11 LEU 26 HD11 LEU 26 7.324 -2.294 -5.175 217 HD12 LEU 26 HD12 LEU 26 7.063 -2.219 -3.411 218 HD13 LEU 26 HD13 LEU 26 5.676 -2.347 -4.519 219 HD21 LEU 26 HD21 LEU 26 6.208 -5.819 -5.463 220 HD22 LEU 26 HD22 LEU 26 6.456 -4.288 -6.357 221 HD23 LEU 26 HD23 LEU 26 4.995 -4.532 -5.370 222 H LYS 27 H LYS 27 11.040 -6.105 -4.306 223 HA LYS 27 HA LYS 27 12.727 -3.886 -3.805 224 HB2 LYS 27 HB2 LYS 27 12.904 -6.123 -2.716 225 HB3 LYS 27 HB3 LYS 27 13.502 -6.812 -4.219 226 HG2 LYS 27 HG2 LYS 27 15.130 -4.501 -3.396 227 HG3 LYS 27 HG3 LYS 27 14.995 -5.705 -2.123 228 HD2 LYS 27 HD2 LYS 27 16.930 -6.253 -3.364 229 HD3 LYS 27 HD3 LYS 27 15.718 -7.475 -3.751 230 HE2 LYS 27 HE2 LYS 27 15.220 -6.279 -5.887 231 HE3 LYS 27 HE3 LYS 27 16.402 -5.041 -5.464 232 HZ1 LYS 27 HZ1 LYS 27 16.899 -7.854 -6.142 233 HZ2 LYS 27 HZ2 LYS 27 18.069 -6.919 -5.467 234 HZ3 LYS 27 HZ3 LYS 27 17.412 -6.543 -6.949 235 H GLU 28 H GLU 28 12.197 -5.674 -6.818 236 HA GLU 28 HA GLU 28 14.659 -4.780 -8.111 237 HB2 GLU 28 HB2 GLU 28 12.015 -5.569 -9.414 238 HB3 GLU 28 HB3 GLU 28 13.599 -5.523 -10.150 239 HG2 GLU 28 HG2 GLU 28 14.291 -7.381 -8.544 240 HG3 GLU 28 HG3 GLU 28 12.611 -7.493 -8.035 241 H LYS 29 H LYS 29 11.409 -3.594 -7.523 242 HA LYS 29 HA LYS 29 11.624 -1.382 -9.479 243 HB2 LYS 29 HB2 LYS 29 9.244 -2.786 -8.159 244 HB3 LYS 29 HB3 LYS 29 9.129 -1.424 -9.265 245 HG2 LYS 29 HG2 LYS 29 10.097 -4.216 -9.949 246 HG3 LYS 29 HG3 LYS 29 8.606 -3.416 -10.461 247 HD2 LYS 29 HD2 LYS 29 10.367 -1.562 -11.332 248 HD3 LYS 29 HD3 LYS 29 11.418 -2.975 -11.402 249 HE2 LYS 29 HE2 LYS 29 9.779 -4.091 -12.890 250 HE3 LYS 29 HE3 LYS 29 8.694 -2.693 -12.732 251 HZ1 LYS 29 HZ1 LYS 29 9.845 -1.827 -14.479 252 HZ2 LYS 29 HZ2 LYS 29 11.037 -3.008 -14.344 253 HZ3 LYS 29 HZ3 LYS 29 11.122 -1.649 -13.467 254 H ILE 30 H ILE 30 12.946 -1.159 -6.832 255 HA ILE 30 HA ILE 30 11.393 1.201 -5.980 256 HB ILE 30 HB ILE 30 12.572 -0.862 -4.136 257 HG12 ILE 30 HG12 ILE 30 9.781 0.357 -4.070 258 HG13 ILE 30 HG13 ILE 30 10.133 -1.096 -4.940 259 HG21 ILE 30 HG21 ILE 30 11.438 1.841 -3.270 260 HG22 ILE 30 HG22 ILE 30 12.170 0.601 -2.233 261 HG23 ILE 30 HG23 ILE 30 13.183 1.486 -3.354 262 HD11 ILE 30 HD11 ILE 30 10.996 -2.156 -2.830 263 HD12 ILE 30 HD12 ILE 30 10.429 -0.724 -1.940 264 HD13 ILE 30 HD13 ILE 30 9.268 -1.744 -2.801 265 HA PRO 31 HA PRO 31 11.915 3.182 -4.945 266 HB2 PRO 31 HB2 PRO 31 12.833 5.528 -6.225 267 HB3 PRO 31 HB3 PRO 31 12.984 5.117 -4.508 268 HG2 PRO 31 HG2 PRO 31 15.053 5.133 -6.572 269 HG3 PRO 31 HG3 PRO 31 15.206 5.052 -4.787 270 HD2 PRO 31 HD2 PRO 31 15.535 2.924 -6.656 271 HD3 PRO 31 HD3 PRO 31 15.509 2.796 -4.878 272 H PHE 32 H PHE 32 10.136 4.327 -6.151 273 HA PHE 32 HA PHE 32 10.264 4.502 -8.960 274 HB2 PHE 32 HB2 PHE 32 8.602 3.032 -9.701 275 HB3 PHE 32 HB3 PHE 32 9.696 2.052 -8.762 276 HD1 PHE 32 HD1 PHE 32 8.982 1.608 -6.259 277 HD2 PHE 32 HD2 PHE 32 6.263 3.059 -9.241 278 HE1 PHE 32 HE1 PHE 32 7.141 0.383 -5.151 279 HE2 PHE 32 HE2 PHE 32 4.371 2.043 -8.011 280 HZ PHE 32 HZ PHE 32 4.834 0.591 -6.011 281 H GLU 33 H GLU 33 8.165 5.476 -9.845 282 HA GLU 33 HA GLU 33 6.750 6.984 -7.699 283 HB2 GLU 33 HB2 GLU 33 7.607 7.874 -10.443 284 HB3 GLU 33 HB3 GLU 33 6.622 8.818 -9.343 285 HG2 GLU 33 HG2 GLU 33 8.527 8.890 -7.740 286 HG3 GLU 33 HG3 GLU 33 9.500 7.911 -8.845 287 H SER 34 H SER 34 4.540 7.580 -8.195 288 HA SER 34 HA SER 34 3.181 6.572 -10.527 289 HB2 SER 34 HB2 SER 34 3.623 4.513 -8.948 290 HB3 SER 34 HB3 SER 34 2.387 5.263 -7.922 291 HG SER 34 HG SER 34 2.255 4.169 -10.524 292 H VAL 35 H VAL 35 0.698 6.694 -9.986 293 HA VAL 35 HA VAL 35 0.244 9.480 -9.075 294 HB VAL 35 HB VAL 35 -1.552 7.543 -10.587 295 HG11 VAL 35 HG11 VAL 35 -1.753 10.579 -10.303 296 HG12 VAL 35 HG12 VAL 35 -2.800 9.554 -11.301 297 HG13 VAL 35 HG13 VAL 35 -2.834 9.378 -9.552 298 HG21 VAL 35 HG21 VAL 35 0.447 7.986 -11.944 299 HG22 VAL 35 HG22 VAL 35 -0.890 8.917 -12.622 300 HG23 VAL 35 HG23 VAL 35 0.335 9.737 -11.622 301 H VAL 36 H VAL 36 -1.285 9.917 -7.418 302 HA VAL 36 HA VAL 36 -1.603 7.624 -5.619 303 HB VAL 36 HB VAL 36 -1.873 10.615 -4.978 304 HG11 VAL 36 HG11 VAL 36 -1.285 8.154 -3.285 305 HG12 VAL 36 HG12 VAL 36 -1.341 9.809 -2.672 306 HG13 VAL 36 HG13 VAL 36 -2.813 9.077 -3.280 307 HG21 VAL 36 HG21 VAL 36 0.405 10.264 -5.830 308 HG22 VAL 36 HG22 VAL 36 0.423 10.468 -4.074 309 HG23 VAL 36 HG23 VAL 36 0.561 8.841 -4.776 310 H ASN 37 H ASN 37 -3.351 6.908 -7.057 311 HA ASN 37 HA ASN 37 -5.780 8.427 -7.410 312 HB2 ASN 37 HB2 ASN 37 -5.444 5.412 -7.247 313 HB3 ASN 37 HB3 ASN 37 -6.813 6.271 -7.946 314 HD21 ASN 37 HD21 ASN 37 -3.975 4.685 -8.707 315 HD22 ASN 37 HD22 ASN 37 -3.717 5.322 -10.321 316 H THR 38 H THR 38 -7.546 8.636 -6.049 317 HA THR 38 HA THR 38 -7.437 7.312 -3.367 318 HB THR 38 HB THR 38 -8.705 9.253 -2.564 319 HG1 THR 38 HG1 THR 38 -8.275 10.233 -5.198 320 HG21 THR 38 HG21 THR 38 -6.063 10.059 -3.845 321 HG22 THR 38 HG22 THR 38 -6.317 9.369 -2.231 322 HG23 THR 38 HG23 THR 38 -6.924 10.987 -2.608 323 H TRP 39 H TRP 39 -9.552 6.451 -2.512 324 HA TRP 39 HA TRP 39 -11.907 6.725 -4.190 325 HB2 TRP 39 HB2 TRP 39 -10.764 4.903 -5.351 326 HB3 TRP 39 HB3 TRP 39 -10.416 4.104 -3.825 327 HD1 TRP 39 HD1 TRP 39 -13.611 5.178 -5.721 328 HE1 TRP 39 HE1 TRP 39 -15.376 3.289 -5.488 329 HE3 TRP 39 HE3 TRP 39 -10.884 1.946 -2.896 330 HZ2 TRP 39 HZ2 TRP 39 -15.448 0.611 -4.353 331 HZ3 TRP 39 HZ3 TRP 39 -11.737 -0.309 -2.371 332 HH2 TRP 39 HH2 TRP 39 -14.019 -0.982 -3.089 333 H GLY 40 H GLY 40 -13.293 7.200 -2.687 334 HA2 GLY 40 HA2 GLY 40 -14.332 7.450 -0.762 335 HA3 GLY 40 HA3 GLY 40 -13.819 5.828 -0.238 336 H GLU 41 H GLU 41 -12.034 5.679 1.153 337 HA GLU 41 HA GLU 41 -10.454 8.033 1.875 338 HB2 GLU 41 HB2 GLU 41 -12.665 7.419 3.298 339 HB3 GLU 41 HB3 GLU 41 -11.566 6.268 4.068 340 HG2 GLU 41 HG2 GLU 41 -10.061 8.095 4.699 341 HG3 GLU 41 HG3 GLU 41 -10.995 9.207 3.685 342 H GLU 42 H GLU 42 -9.866 5.800 0.143 343 HA GLU 42 HA GLU 42 -7.579 4.765 1.699 344 HB2 GLU 42 HB2 GLU 42 -7.790 2.626 0.948 345 HB3 GLU 42 HB3 GLU 42 -9.487 3.067 0.916 346 HG2 GLU 42 HG2 GLU 42 -9.375 3.422 -1.512 347 HG3 GLU 42 HG3 GLU 42 -7.642 3.057 -1.477 348 H ILE 43 H ILE 43 -5.768 4.296 0.172 349 HA ILE 43 HA ILE 43 -5.754 6.007 -2.268 350 HB ILE 43 HB ILE 43 -3.682 5.764 -0.065 351 HG12 ILE 43 HG12 ILE 43 -4.584 8.320 -1.397 352 HG13 ILE 43 HG13 ILE 43 -5.556 7.616 -0.111 353 HG21 ILE 43 HG21 ILE 43 -2.156 7.073 -1.517 354 HG22 ILE 43 HG22 ILE 43 -2.454 5.453 -2.149 355 HG23 ILE 43 HG23 ILE 43 -3.287 6.837 -2.880 356 HD11 ILE 43 HD11 ILE 43 -3.576 7.658 1.402 357 HD12 ILE 43 HD12 ILE 43 -2.660 8.517 0.138 358 HD13 ILE 43 HD13 ILE 43 -4.096 9.263 0.857 359 H TYR 44 H TYR 44 -4.754 4.942 -4.035 360 HA TYR 44 HA TYR 44 -3.019 2.691 -3.405 361 HB2 TYR 44 HB2 TYR 44 -3.868 1.263 -5.170 362 HB3 TYR 44 HB3 TYR 44 -5.052 1.476 -3.892 363 HD1 TYR 44 HD1 TYR 44 -4.231 2.132 -7.481 364 HD2 TYR 44 HD2 TYR 44 -7.125 2.621 -4.345 365 HE1 TYR 44 HE1 TYR 44 -5.870 2.990 -9.136 366 HE2 TYR 44 HE2 TYR 44 -8.744 3.582 -5.954 367 HH TYR 44 HH TYR 44 -8.795 4.689 -8.113 368 H PHE 45 H PHE 45 -1.922 2.050 -5.629 369 HA PHE 45 HA PHE 45 -1.712 4.170 -7.557 370 HB2 PHE 45 HB2 PHE 45 0.851 3.904 -7.459 371 HB3 PHE 45 HB3 PHE 45 0.094 5.089 -6.442 372 HD1 PHE 45 HD1 PHE 45 -0.220 4.528 -3.967 373 HD2 PHE 45 HD2 PHE 45 2.136 2.056 -6.584 374 HE1 PHE 45 HE1 PHE 45 1.012 3.618 -1.998 375 HE2 PHE 45 HE2 PHE 45 3.366 1.161 -4.589 376 HZ PHE 45 HZ PHE 45 2.851 1.982 -2.335 377 H SER 46 H SER 46 -0.635 3.323 -9.465 378 HA SER 46 HA SER 46 -1.206 0.499 -9.888 379 HB2 SER 46 HB2 SER 46 -0.030 2.558 -11.802 380 HB3 SER 46 HB3 SER 46 -0.896 1.068 -12.197 381 HG SER 46 HG SER 46 -2.294 2.735 -12.426 382 H THR 47 H THR 47 0.412 -0.803 -8.868 383 HA THR 47 HA THR 47 3.164 0.098 -8.794 384 HB THR 47 HB THR 47 3.652 -2.125 -7.931 385 HG1 THR 47 HG1 THR 47 1.880 -3.226 -9.191 386 HG21 THR 47 HG21 THR 47 2.355 -2.052 -5.870 387 HG22 THR 47 HG22 THR 47 1.130 -1.014 -6.620 388 HG23 THR 47 HG23 THR 47 2.779 -0.406 -6.375 389 HA PRO 48 HA PRO 48 4.290 -1.005 -12.853 390 HB2 PRO 48 HB2 PRO 48 6.956 -1.654 -12.501 391 HB3 PRO 48 HB3 PRO 48 6.321 0.018 -12.534 392 HG2 PRO 48 HG2 PRO 48 7.015 -1.741 -10.174 393 HG3 PRO 48 HG3 PRO 48 7.375 0.007 -10.408 394 HD2 PRO 48 HD2 PRO 48 5.293 -0.891 -8.901 395 HD3 PRO 48 HD3 PRO 48 5.150 0.591 -9.881 396 H VAL 49 H VAL 49 5.186 -3.221 -10.233 397 HA VAL 49 HA VAL 49 5.403 -5.602 -11.859 398 HB VAL 49 HB VAL 49 6.621 -4.973 -9.695 399 HG11 VAL 49 HG11 VAL 49 3.906 -5.517 -8.459 400 HG12 VAL 49 HG12 VAL 49 5.431 -5.710 -7.612 401 HG13 VAL 49 HG13 VAL 49 5.002 -4.121 -8.262 402 HG21 VAL 49 HG21 VAL 49 5.269 -7.650 -9.829 403 HG22 VAL 49 HG22 VAL 49 6.859 -7.189 -10.468 404 HG23 VAL 49 HG23 VAL 49 6.567 -7.185 -8.717 405 H ASN 50 H ASN 50 3.941 -7.565 -11.420 406 HA ASN 50 HA ASN 50 1.194 -6.816 -10.896 407 HB2 ASN 50 HB2 ASN 50 0.329 -7.661 -12.885 408 HB3 ASN 50 HB3 ASN 50 1.416 -6.295 -13.154 409 HD21 ASN 50 HD21 ASN 50 1.263 -7.188 -15.429 410 HD22 ASN 50 HD22 ASN 50 2.486 -8.422 -15.715 411 H VAL 51 H VAL 51 2.800 -8.361 -9.216 412 HA VAL 51 HA VAL 51 2.653 -11.106 -9.724 413 HB VAL 51 HB VAL 51 2.711 -9.711 -7.002 414 HG11 VAL 51 HG11 VAL 51 3.649 -12.497 -7.800 415 HG12 VAL 51 HG12 VAL 51 4.062 -11.700 -6.271 416 HG13 VAL 51 HG13 VAL 51 2.386 -12.068 -6.609 417 HG21 VAL 51 HG21 VAL 51 4.490 -8.773 -8.212 418 HG22 VAL 51 HG22 VAL 51 5.240 -10.049 -7.267 419 HG23 VAL 51 HG23 VAL 51 4.928 -10.322 -8.987 420 H GLN 52 H GLN 52 1.300 -12.766 -8.865 421 HA GLN 52 HA GLN 52 -1.410 -11.924 -7.915 422 HB2 GLN 52 HB2 GLN 52 -0.689 -14.110 -9.901 423 HB3 GLN 52 HB3 GLN 52 -2.308 -13.747 -9.272 424 HG2 GLN 52 HG2 GLN 52 -2.057 -11.401 -10.162 425 HG3 GLN 52 HG3 GLN 52 -0.538 -11.891 -10.918 426 HE21 GLN 52 HE21 GLN 52 -3.855 -13.301 -10.738 427 HE22 GLN 52 HE22 GLN 52 -4.036 -13.528 -12.461 428 H LYS 53 H LYS 53 1.365 -13.752 -7.083 429 HA LYS 53 HA LYS 53 0.058 -15.891 -5.676 430 HB2 LYS 53 HB2 LYS 53 2.473 -15.706 -6.568 431 HB3 LYS 53 HB3 LYS 53 2.816 -14.680 -5.183 432 HG2 LYS 53 HG2 LYS 53 3.278 -16.559 -4.065 433 HG3 LYS 53 HG3 LYS 53 1.542 -16.895 -4.040 434 HD2 LYS 53 HD2 LYS 53 1.779 -18.122 -6.200 435 HD3 LYS 53 HD3 LYS 53 3.536 -17.852 -6.131 436 HE2 LYS 53 HE2 LYS 53 1.939 -19.304 -3.989 437 HE3 LYS 53 HE3 LYS 53 2.754 -20.101 -5.348 438 HZ1 LYS 53 HZ1 LYS 53 4.465 -20.191 -4.028 439 HZ2 LYS 53 HZ2 LYS 53 3.878 -19.135 -2.926 440 HZ3 LYS 53 HZ3 LYS 53 4.707 -18.582 -4.250 441 H MET 54 H MET 54 -0.901 -15.768 -3.646 442 HA MET 54 HA MET 54 -0.147 -13.597 -1.802 443 HB2 MET 54 HB2 MET 54 -2.517 -13.427 -1.032 444 HB3 MET 54 HB3 MET 54 -2.161 -12.694 -2.595 445 HG2 MET 54 HG2 MET 54 -3.224 -15.499 -2.634 446 HG3 MET 54 HG3 MET 54 -4.301 -14.247 -2.065 447 HE1 MET 54 HE1 MET 54 -5.370 -12.265 -5.056 448 HE2 MET 54 HE2 MET 54 -5.760 -12.892 -3.451 449 HE3 MET 54 HE3 MET 54 -4.407 -11.763 -3.639 450 H GLU 55 H GLU 55 0.470 -14.424 0.106 451 HA GLU 55 HA GLU 55 -0.212 -17.231 0.818 452 HB2 GLU 55 HB2 GLU 55 1.796 -15.185 1.711 453 HB3 GLU 55 HB3 GLU 55 1.298 -16.386 2.887 454 HG2 GLU 55 HG2 GLU 55 2.517 -17.024 0.175 455 HG3 GLU 55 HG3 GLU 55 3.376 -16.996 1.707 456 H ASN 56 H ASN 56 -0.927 -13.830 1.746 457 HA ASN 56 HA ASN 56 -2.534 -14.821 4.048 458 HB2 ASN 56 HB2 ASN 56 -0.348 -13.776 4.684 459 HB3 ASN 56 HB3 ASN 56 -0.854 -12.289 3.845 460 HD21 ASN 56 HD21 ASN 56 -1.149 -10.893 5.626 461 HD22 ASN 56 HD22 ASN 56 -2.219 -11.283 6.974 462 HA PRO 57 HA PRO 57 -5.163 -12.224 1.183 463 HB2 PRO 57 HB2 PRO 57 -7.186 -14.030 0.714 464 HB3 PRO 57 HB3 PRO 57 -5.714 -13.891 -0.297 465 HG2 PRO 57 HG2 PRO 57 -6.278 -15.857 1.941 466 HG3 PRO 57 HG3 PRO 57 -5.587 -16.181 0.314 467 HD2 PRO 57 HD2 PRO 57 -4.030 -15.874 2.540 468 HD3 PRO 57 HD3 PRO 57 -3.494 -15.331 0.917 469 H ARG 58 H ARG 58 -6.458 -10.850 2.417 470 HA ARG 58 HA ARG 58 -7.891 -11.941 4.810 471 HB2 ARG 58 HB2 ARG 58 -6.282 -9.372 4.570 472 HB3 ARG 58 HB3 ARG 58 -7.373 -9.706 5.852 473 HG2 ARG 58 HG2 ARG 58 -5.667 -11.949 5.909 474 HG3 ARG 58 HG3 ARG 58 -4.602 -10.611 5.483 475 HD2 ARG 58 HD2 ARG 58 -5.848 -9.320 7.407 476 HD3 ARG 58 HD3 ARG 58 -6.411 -10.890 7.919 477 HE ARG 58 HE ARG 58 -3.734 -9.770 8.186 478 HH11 ARG 58 HH11 ARG 58 -5.570 -12.829 8.325 479 HH12 ARG 58 HH12 ARG 58 -4.306 -13.722 9.080 480 HH21 ARG 58 HH21 ARG 58 -2.156 -10.846 9.286 481 HH22 ARG 58 HH22 ARG 58 -2.266 -12.539 9.643 482 H GLU 59 H GLU 59 -9.784 -10.726 5.329 483 HA GLU 59 HA GLU 59 -10.849 -9.119 3.013 484 HB2 GLU 59 HB2 GLU 59 -12.324 -11.075 4.833 485 HB3 GLU 59 HB3 GLU 59 -13.145 -9.849 3.859 486 HG2 GLU 59 HG2 GLU 59 -11.918 -10.801 1.818 487 HG3 GLU 59 HG3 GLU 59 -11.531 -12.219 2.859 488 H VAL 60 H VAL 60 -9.944 -8.973 6.313 489 HA VAL 60 HA VAL 60 -11.463 -6.442 6.611 490 HB VAL 60 HB VAL 60 -10.905 -8.308 8.944 491 HG11 VAL 60 HG11 VAL 60 -12.606 -6.896 10.065 492 HG12 VAL 60 HG12 VAL 60 -11.273 -5.917 9.469 493 HG13 VAL 60 HG13 VAL 60 -12.804 -5.934 8.581 494 HG21 VAL 60 HG21 VAL 60 -12.444 -9.570 7.558 495 HG22 VAL 60 HG22 VAL 60 -13.331 -8.900 8.913 496 HG23 VAL 60 HG23 VAL 60 -13.471 -8.151 7.303 497 H VAL 61 H VAL 61 -10.238 -4.794 7.308 498 HA VAL 61 HA VAL 61 -7.374 -5.222 7.858 499 HB VAL 61 HB VAL 61 -6.786 -3.509 6.218 500 HG11 VAL 61 HG11 VAL 61 -8.370 -5.758 4.898 501 HG12 VAL 61 HG12 VAL 61 -7.005 -4.861 4.214 502 HG13 VAL 61 HG13 VAL 61 -6.755 -5.925 5.609 503 HG21 VAL 61 HG21 VAL 61 -8.831 -2.216 6.072 504 HG22 VAL 61 HG22 VAL 61 -8.410 -2.809 4.463 505 HG23 VAL 61 HG23 VAL 61 -9.716 -3.588 5.358 506 H GLU 62 H GLU 62 -6.889 -2.282 7.919 507 HA GLU 62 HA GLU 62 -8.370 -1.578 10.362 508 HB2 GLU 62 HB2 GLU 62 -5.430 -2.310 10.080 509 HB3 GLU 62 HB3 GLU 62 -6.002 -1.312 11.408 510 HG2 GLU 62 HG2 GLU 62 -7.791 -3.282 11.668 511 HG3 GLU 62 HG3 GLU 62 -6.544 -4.202 10.823 512 H ILE 63 H ILE 63 -7.212 0.416 11.270 513 HA ILE 63 HA ILE 63 -7.177 2.495 9.171 514 HB ILE 63 HB ILE 63 -7.325 2.625 12.222 515 HG12 ILE 63 HG12 ILE 63 -9.306 2.977 9.939 516 HG13 ILE 63 HG13 ILE 63 -9.306 1.758 11.239 517 HG21 ILE 63 HG21 ILE 63 -7.939 5.067 11.917 518 HG22 ILE 63 HG22 ILE 63 -6.281 4.678 11.667 519 HG23 ILE 63 HG23 ILE 63 -7.316 4.933 10.248 520 HD11 ILE 63 HD11 ILE 63 -9.765 3.632 12.861 521 HD12 ILE 63 HD12 ILE 63 -10.077 4.666 11.437 522 HD13 ILE 63 HD13 ILE 63 -11.062 3.229 11.712 523 H GLY 64 H GLY 64 -4.942 0.480 9.905 524 HA2 GLY 64 HA2 GLY 64 -2.644 2.360 10.019 525 HA3 GLY 64 HA3 GLY 64 -2.786 1.073 11.191 526 H ASP 65 H ASP 65 -3.961 0.243 7.995 527 HA ASP 65 HA ASP 65 -1.502 -1.441 7.593 528 HB2 ASP 65 HB2 ASP 65 -4.366 -2.245 7.667 529 HB3 ASP 65 HB3 ASP 65 -3.128 -3.269 7.011 530 H VAL 66 H VAL 66 -2.232 -2.774 5.505 531 HA VAL 66 HA VAL 66 -2.438 -0.939 3.240 532 HB VAL 66 HB VAL 66 0.136 -2.059 3.040 533 HG11 VAL 66 HG11 VAL 66 0.841 0.107 4.278 534 HG12 VAL 66 HG12 VAL 66 -0.457 0.396 3.051 535 HG13 VAL 66 HG13 VAL 66 -0.869 0.230 4.783 536 HG21 VAL 66 HG21 VAL 66 1.253 -2.055 4.981 537 HG22 VAL 66 HG22 VAL 66 -0.133 -1.676 5.953 538 HG23 VAL 66 HG23 VAL 66 -0.108 -3.248 5.122 539 H GLY 67 H GLY 67 -2.609 -2.124 1.277 540 HA2 GLY 67 HA2 GLY 67 -2.742 -5.107 1.597 541 HA3 GLY 67 HA3 GLY 67 -4.124 -4.188 0.990 542 H TYR 68 H TYR 68 -3.022 -6.070 -0.511 543 HA TYR 68 HA TYR 68 -1.814 -4.638 -2.814 544 HB2 TYR 68 HB2 TYR 68 -0.316 -6.280 -1.522 545 HB3 TYR 68 HB3 TYR 68 -1.532 -7.526 -1.921 546 HD1 TYR 68 HD1 TYR 68 0.712 -4.874 -3.458 547 HD2 TYR 68 HD2 TYR 68 -1.439 -8.555 -4.146 548 HE1 TYR 68 HE1 TYR 68 1.567 -4.927 -5.764 549 HE2 TYR 68 HE2 TYR 68 -0.492 -8.643 -6.439 550 HH TYR 68 HH TYR 68 0.380 -7.026 -8.188 551 H TRP 69 H TRP 69 -3.370 -4.609 -4.425 552 HA TRP 69 HA TRP 69 -5.443 -6.707 -4.394 553 HB2 TRP 69 HB2 TRP 69 -6.218 -4.412 -3.892 554 HB3 TRP 69 HB3 TRP 69 -5.748 -3.927 -5.509 555 HD1 TRP 69 HD1 TRP 69 -7.668 -7.032 -4.119 556 HE1 TRP 69 HE1 TRP 69 -9.832 -7.347 -5.412 557 HE3 TRP 69 HE3 TRP 69 -7.305 -3.042 -7.328 558 HZ2 TRP 69 HZ2 TRP 69 -11.354 -5.942 -7.404 559 HZ3 TRP 69 HZ3 TRP 69 -9.138 -2.572 -8.922 560 HH2 TRP 69 HH2 TRP 69 -11.211 -3.987 -8.919 561 HA PRO 70 HA PRO 70 -2.540 -7.555 -7.713 562 HB2 PRO 70 HB2 PRO 70 -3.502 -10.121 -8.367 563 HB3 PRO 70 HB3 PRO 70 -2.216 -9.724 -7.208 564 HG2 PRO 70 HG2 PRO 70 -4.940 -10.622 -6.634 565 HG3 PRO 70 HG3 PRO 70 -3.527 -10.543 -5.561 566 HD2 PRO 70 HD2 PRO 70 -5.735 -8.720 -5.691 567 HD3 PRO 70 HD3 PRO 70 -4.411 -8.653 -4.625 568 HA PRO 71 HA PRO 71 -5.768 -8.433 -11.078 569 HB2 PRO 71 HB2 PRO 71 -8.428 -8.256 -10.719 570 HB3 PRO 71 HB3 PRO 71 -7.498 -9.674 -10.193 571 HG2 PRO 71 HG2 PRO 71 -8.414 -7.358 -8.464 572 HG3 PRO 71 HG3 PRO 71 -8.415 -9.117 -8.018 573 HD2 PRO 71 HD2 PRO 71 -6.549 -7.514 -7.219 574 HD3 PRO 71 HD3 PRO 71 -6.305 -9.260 -7.616 575 H GLY 72 H GLY 72 -6.070 -5.637 -8.965 576 HA2 GLY 72 HA2 GLY 72 -6.606 -3.856 -11.275 577 HA3 GLY 72 HA3 GLY 72 -6.490 -3.400 -9.580 578 H LYS 73 H LYS 73 -3.878 -5.483 -10.116 579 HA LYS 73 HA LYS 73 -1.686 -5.052 -9.768 580 HB2 LYS 73 HB2 LYS 73 -2.111 -3.262 -12.208 581 HB3 LYS 73 HB3 LYS 73 -0.545 -3.564 -11.470 582 HG2 LYS 73 HG2 LYS 73 -0.525 -5.100 -13.132 583 HG3 LYS 73 HG3 LYS 73 -0.997 -6.053 -11.729 584 HD2 LYS 73 HD2 LYS 73 -2.304 -6.819 -13.492 585 HD3 LYS 73 HD3 LYS 73 -3.427 -5.827 -12.577 586 HE2 LYS 73 HE2 LYS 73 -3.150 -3.977 -14.157 587 HE3 LYS 73 HE3 LYS 73 -1.843 -4.832 -14.990 588 HZ1 LYS 73 HZ1 LYS 73 -4.033 -4.932 -16.087 589 HZ2 LYS 73 HZ2 LYS 73 -4.605 -5.862 -14.857 590 HZ3 LYS 73 HZ3 LYS 73 -3.389 -6.423 -15.807 591 H ALA 74 H ALA 74 -3.291 -3.810 -7.940 592 HA ALA 74 HA ALA 74 -2.262 -1.027 -7.744 593 HB1 ALA 74 HB1 ALA 74 -4.948 -2.171 -6.902 594 HB2 ALA 74 HB2 ALA 74 -4.414 -0.497 -6.684 595 HB3 ALA 74 HB3 ALA 74 -4.644 -1.144 -8.320 596 H LEU 75 H LEU 75 -1.613 -0.341 -5.800 597 HA LEU 75 HA LEU 75 -1.260 -2.216 -3.561 598 HB2 LEU 75 HB2 LEU 75 0.150 -0.002 -4.178 599 HB3 LEU 75 HB3 LEU 75 -1.152 0.805 -3.312 600 HG LEU 75 HG LEU 75 -0.592 -1.338 -1.640 601 HD11 LEU 75 HD11 LEU 75 1.671 -1.791 -1.482 602 HD12 LEU 75 HD12 LEU 75 2.120 -0.507 -2.641 603 HD13 LEU 75 HD13 LEU 75 1.261 -1.965 -3.184 604 HD21 LEU 75 HD21 LEU 75 0.173 0.090 -0.088 605 HD22 LEU 75 HD22 LEU 75 -0.822 1.133 -1.098 606 HD23 LEU 75 HD23 LEU 75 0.948 1.187 -1.262 607 H CYS 76 H CYS 76 -2.353 -1.277 -1.289 608 HA CYS 76 HA CYS 76 -4.442 0.644 -1.721 609 HB2 CYS 76 HB2 CYS 76 -4.931 -1.841 -0.068 610 HB3 CYS 76 HB3 CYS 76 -6.015 -0.482 -0.281 611 HG CYS 76 HG CYS 76 -5.836 -1.068 -3.084 612 H LEU 77 H LEU 77 -4.843 1.757 0.291 613 HA LEU 77 HA LEU 77 -2.961 1.407 2.570 614 HB2 LEU 77 HB2 LEU 77 -3.405 3.711 0.657 615 HB3 LEU 77 HB3 LEU 77 -3.117 4.100 2.336 616 HG LEU 77 HG LEU 77 -1.163 2.304 0.865 617 HD11 LEU 77 HD11 LEU 77 0.141 4.336 0.333 618 HD12 LEU 77 HD12 LEU 77 -1.298 5.319 0.759 619 HD13 LEU 77 HD13 LEU 77 -1.350 4.165 -0.580 620 HD21 LEU 77 HD21 LEU 77 0.360 3.214 2.589 621 HD22 LEU 77 HD22 LEU 77 -1.081 2.488 3.335 622 HD23 LEU 77 HD23 LEU 77 -0.952 4.231 3.193 623 H PHE 78 H PHE 78 -4.317 1.261 4.389 624 HA PHE 78 HA PHE 78 -7.059 2.322 4.088 625 HB2 PHE 78 HB2 PHE 78 -5.995 0.088 5.813 626 HB3 PHE 78 HB3 PHE 78 -7.676 0.463 5.475 627 HD1 PHE 78 HD1 PHE 78 -7.986 0.594 2.617 628 HD2 PHE 78 HD2 PHE 78 -5.228 -1.829 4.828 629 HE1 PHE 78 HE1 PHE 78 -8.134 -1.154 0.867 630 HE2 PHE 78 HE2 PHE 78 -5.341 -3.584 3.068 631 HZ PHE 78 HZ PHE 78 -6.894 -3.270 1.106 632 H PHE 79 H PHE 79 -7.622 3.955 5.402 633 HA PHE 79 HA PHE 79 -6.253 4.412 7.983 634 HB2 PHE 79 HB2 PHE 79 -5.613 6.673 7.370 635 HB3 PHE 79 HB3 PHE 79 -4.736 5.428 6.534 636 HD1 PHE 79 HD1 PHE 79 -5.092 5.065 4.108 637 HD2 PHE 79 HD2 PHE 79 -7.084 8.172 6.238 638 HE1 PHE 79 HE1 PHE 79 -5.505 6.258 1.949 639 HE2 PHE 79 HE2 PHE 79 -7.551 9.386 4.064 640 HZ PHE 79 HZ PHE 79 -6.712 8.449 1.952 641 H GLY 80 H GLY 80 -9.207 4.169 6.536 642 HA2 GLY 80 HA2 GLY 80 -10.521 6.022 8.406 643 HA3 GLY 80 HA3 GLY 80 -10.684 6.356 6.678 644 H LYS 81 H LYS 81 -12.399 5.383 5.654 645 HA LYS 81 HA LYS 81 -13.312 2.727 6.327 646 HB2 LYS 81 HB2 LYS 81 -14.550 4.652 7.816 647 HB3 LYS 81 HB3 LYS 81 -15.499 4.829 6.352 648 HG2 LYS 81 HG2 LYS 81 -15.168 2.319 8.064 649 HG3 LYS 81 HG3 LYS 81 -16.571 3.383 7.988 650 HD2 LYS 81 HD2 LYS 81 -16.686 2.720 5.455 651 HD3 LYS 81 HD3 LYS 81 -15.572 1.429 5.908 652 HE2 LYS 81 HE2 LYS 81 -17.671 0.426 6.029 653 HE3 LYS 81 HE3 LYS 81 -17.247 0.752 7.712 654 HZ1 LYS 81 HZ1 LYS 81 -19.000 2.409 6.003 655 HZ2 LYS 81 HZ2 LYS 81 -18.684 2.745 7.569 656 HZ3 LYS 81 HZ3 LYS 81 -19.535 1.392 7.188 657 H THR 82 H THR 82 -14.475 1.906 4.406 658 HA THR 82 HA THR 82 -14.392 3.661 2.046 659 HB THR 82 HB THR 82 -13.559 1.285 1.126 660 HG1 THR 82 HG1 THR 82 -12.859 -0.007 2.582 661 HG21 THR 82 HG21 THR 82 -12.404 3.458 0.895 662 HG22 THR 82 HG22 THR 82 -11.327 2.096 1.176 663 HG23 THR 82 HG23 THR 82 -11.684 3.232 2.509 664 HA PRO 83 HA PRO 83 -18.218 2.073 1.039 665 HB2 PRO 83 HB2 PRO 83 -18.428 2.382 -1.633 666 HB3 PRO 83 HB3 PRO 83 -17.960 3.754 -0.576 667 HG2 PRO 83 HG2 PRO 83 -16.116 1.904 -2.127 668 HG3 PRO 83 HG3 PRO 83 -16.135 3.696 -2.158 669 HD2 PRO 83 HD2 PRO 83 -14.460 2.277 -0.543 670 HD3 PRO 83 HD3 PRO 83 -15.150 3.842 -0.046 671 H MET 84 H MET 84 -15.707 -0.118 0.233 672 HA MET 84 HA MET 84 -17.696 -2.174 -0.585 673 HB2 MET 84 HB2 MET 84 -14.820 -1.840 -1.131 674 HB3 MET 84 HB3 MET 84 -15.261 -3.460 -0.630 675 HG2 MET 84 HG2 MET 84 -16.932 -2.083 -2.735 676 HG3 MET 84 HG3 MET 84 -15.353 -2.713 -3.159 677 HE1 MET 84 HE1 MET 84 -18.990 -3.743 -1.919 678 HE2 MET 84 HE2 MET 84 -18.822 -5.508 -1.817 679 HE3 MET 84 HE3 MET 84 -18.008 -4.481 -0.631 680 H SER 85 H SER 85 -17.217 -0.739 2.104 681 HA SER 85 HA SER 85 -18.037 -3.200 3.318 682 HB2 SER 85 HB2 SER 85 -15.686 -2.479 4.214 683 HB3 SER 85 HB3 SER 85 -16.604 -1.168 4.990 684 HG SER 85 HG SER 85 -17.635 -3.734 5.349 685 H ASP 86 H ASP 86 -19.329 -2.460 5.322 686 HA ASP 86 HA ASP 86 -20.510 0.228 5.033 687 HB2 ASP 86 HB2 ASP 86 -21.808 -1.696 3.814 688 HB3 ASP 86 HB3 ASP 86 -22.296 -2.206 5.435 689 H ASP 87 H ASP 87 -20.094 -2.734 6.968 690 HA ASP 87 HA ASP 87 -20.669 -1.464 9.525 691 HB2 ASP 87 HB2 ASP 87 -19.521 -4.122 8.610 692 HB3 ASP 87 HB3 ASP 87 -19.415 -3.643 10.297 693 H LYS 88 H LYS 88 -17.709 -2.560 7.779 694 HA LYS 88 HA LYS 88 -16.002 -1.499 9.959 695 HB2 LYS 88 HB2 LYS 88 -14.856 -3.569 10.154 696 HB3 LYS 88 HB3 LYS 88 -16.575 -3.888 10.303 697 HG2 LYS 88 HG2 LYS 88 -16.565 -4.610 7.845 698 HG3 LYS 88 HG3 LYS 88 -14.805 -4.490 7.916 699 HD2 LYS 88 HD2 LYS 88 -15.266 -6.766 8.347 700 HD3 LYS 88 HD3 LYS 88 -14.906 -6.071 9.937 701 HE2 LYS 88 HE2 LYS 88 -17.716 -5.708 9.435 702 HE3 LYS 88 HE3 LYS 88 -17.330 -7.351 8.937 703 HZ1 LYS 88 HZ1 LYS 88 -16.507 -7.807 11.112 704 HZ2 LYS 88 HZ2 LYS 88 -18.008 -7.179 11.215 705 HZ3 LYS 88 HZ3 LYS 88 -16.721 -6.217 11.603 706 H ILE 89 H ILE 89 -13.564 -2.552 8.852 707 HA ILE 89 HA ILE 89 -13.446 -1.016 6.302 708 HB ILE 89 HB ILE 89 -11.088 -1.644 8.098 709 HG12 ILE 89 HG12 ILE 89 -12.409 1.102 7.883 710 HG13 ILE 89 HG13 ILE 89 -12.820 -0.002 9.190 711 HG21 ILE 89 HG21 ILE 89 -10.803 -1.193 5.592 712 HG22 ILE 89 HG22 ILE 89 -11.490 0.414 5.873 713 HG23 ILE 89 HG23 ILE 89 -9.949 -0.045 6.642 714 HD11 ILE 89 HD11 ILE 89 -10.468 -0.126 9.880 715 HD12 ILE 89 HD12 ILE 89 -10.059 1.086 8.638 716 HD13 ILE 89 HD13 ILE 89 -11.188 1.493 9.950 717 H GLN 90 H GLN 90 -14.187 -2.683 5.052 718 HA GLN 90 HA GLN 90 -12.316 -4.954 4.815 719 HB2 GLN 90 HB2 GLN 90 -15.077 -4.748 3.543 720 HB3 GLN 90 HB3 GLN 90 -13.852 -5.997 3.299 721 HG2 GLN 90 HG2 GLN 90 -13.979 -6.345 5.884 722 HG3 GLN 90 HG3 GLN 90 -15.460 -5.424 5.759 723 HE21 GLN 90 HE21 GLN 90 -15.424 -7.128 2.879 724 HE22 GLN 90 HE22 GLN 90 -16.205 -8.590 3.353 725 HA PRO 91 HA PRO 91 -11.221 -2.669 0.993 726 HB2 PRO 91 HB2 PRO 91 -9.845 -4.815 -0.169 727 HB3 PRO 91 HB3 PRO 91 -9.143 -3.554 0.838 728 HG2 PRO 91 HG2 PRO 91 -9.467 -6.356 1.545 729 HG3 PRO 91 HG3 PRO 91 -8.739 -5.052 2.496 730 HD2 PRO 91 HD2 PRO 91 -11.495 -6.201 2.705 731 HD3 PRO 91 HD3 PRO 91 -10.525 -5.230 3.867 732 H ALA 92 H ALA 92 -11.225 -3.308 -1.453 733 HA ALA 92 HA ALA 92 -13.768 -4.172 -2.183 734 HB1 ALA 92 HB1 ALA 92 -12.896 -4.116 -4.517 735 HB2 ALA 92 HB2 ALA 92 -12.359 -2.701 -3.581 736 HB3 ALA 92 HB3 ALA 92 -11.245 -4.062 -3.891 737 H SER 93 H SER 93 -11.148 -6.266 -1.387 738 HA SER 93 HA SER 93 -12.646 -8.618 -2.100 739 HB2 SER 93 HB2 SER 93 -11.029 -7.610 -4.124 740 HB3 SER 93 HB3 SER 93 -9.981 -8.817 -3.400 741 HG SER 93 HG SER 93 -11.595 -10.366 -3.828 742 H ALA 94 H ALA 94 -10.761 -10.484 -1.809 743 HA ALA 94 HA ALA 94 -9.076 -9.753 0.563 744 HB1 ALA 94 HB1 ALA 94 -10.205 -11.967 0.828 745 HB2 ALA 94 HB2 ALA 94 -9.528 -12.504 -0.711 746 HB3 ALA 94 HB3 ALA 94 -8.461 -12.123 0.661 747 H VAL 95 H VAL 95 -8.147 -8.316 -0.432 748 HA VAL 95 HA VAL 95 -5.913 -8.343 -2.050 749 HB VAL 95 HB VAL 95 -6.651 -7.277 0.671 750 HG11 VAL 95 HG11 VAL 95 -5.692 -5.459 0.521 751 HG12 VAL 95 HG12 VAL 95 -4.556 -6.741 0.234 752 HG13 VAL 95 HG13 VAL 95 -5.139 -5.699 -1.171 753 HG21 VAL 95 HG21 VAL 95 -8.555 -6.614 -0.995 754 HG22 VAL 95 HG22 VAL 95 -7.612 -5.197 -0.545 755 HG23 VAL 95 HG23 VAL 95 -7.299 -5.994 -2.081 756 H ASN 96 H ASN 96 -3.861 -8.401 -0.978 757 HA ASN 96 HA ASN 96 -3.404 -10.626 1.021 758 HB2 ASN 96 HB2 ASN 96 -2.331 -10.643 -1.416 759 HB3 ASN 96 HB3 ASN 96 -1.317 -9.349 -0.811 760 HD21 ASN 96 HD21 ASN 96 0.400 -10.821 -1.437 761 HD22 ASN 96 HD22 ASN 96 0.862 -12.066 -0.274 762 H VAL 97 H VAL 97 -2.820 -9.933 3.019 763 HA VAL 97 HA VAL 97 -1.942 -7.122 3.214 764 HB VAL 97 HB VAL 97 -3.042 -8.866 5.451 765 HG11 VAL 97 HG11 VAL 97 -2.138 -5.916 5.476 766 HG12 VAL 97 HG12 VAL 97 -2.985 -6.731 6.784 767 HG13 VAL 97 HG13 VAL 97 -1.356 -7.245 6.328 768 HG21 VAL 97 HG21 VAL 97 -4.734 -7.991 3.776 769 HG22 VAL 97 HG22 VAL 97 -4.940 -7.345 5.406 770 HG23 VAL 97 HG23 VAL 97 -4.197 -6.341 4.138 771 H ILE 98 H ILE 98 0.100 -6.999 3.001 772 HA ILE 98 HA ILE 98 1.970 -9.054 4.077 773 HB ILE 98 HB ILE 98 3.358 -8.415 2.095 774 HG12 ILE 98 HG12 ILE 98 0.884 -6.863 1.191 775 HG13 ILE 98 HG13 ILE 98 2.399 -6.135 1.718 776 HG21 ILE 98 HG21 ILE 98 1.665 -10.355 2.143 777 HG22 ILE 98 HG22 ILE 98 0.564 -9.315 1.225 778 HG23 ILE 98 HG23 ILE 98 2.129 -9.785 0.549 779 HD11 ILE 98 HD11 ILE 98 3.527 -7.275 -0.197 780 HD12 ILE 98 HD12 ILE 98 1.913 -7.845 -0.730 781 HD13 ILE 98 HD13 ILE 98 2.260 -6.119 -0.685 782 H GLY 99 H GLY 99 0.914 -5.915 4.382 783 HA2 GLY 99 HA2 GLY 99 3.419 -4.437 4.780 784 HA3 GLY 99 HA3 GLY 99 1.873 -3.929 4.332 785 H LYS 100 H LYS 100 3.355 -2.758 6.551 786 HA LYS 100 HA LYS 100 0.747 -2.213 7.784 787 HB2 LYS 100 HB2 LYS 100 1.827 -3.603 9.485 788 HB3 LYS 100 HB3 LYS 100 3.189 -2.470 9.480 789 HG2 LYS 100 HG2 LYS 100 1.126 -0.750 9.939 790 HG3 LYS 100 HG3 LYS 100 0.297 -2.226 10.450 791 HD2 LYS 100 HD2 LYS 100 3.029 -1.391 11.270 792 HD3 LYS 100 HD3 LYS 100 1.585 -0.782 12.103 793 HE2 LYS 100 HE2 LYS 100 0.977 -3.068 12.764 794 HE3 LYS 100 HE3 LYS 100 2.342 -3.719 11.814 795 HZ1 LYS 100 HZ1 LYS 100 2.983 -3.606 14.085 796 HZ2 LYS 100 HZ2 LYS 100 2.525 -2.016 14.213 797 HZ3 LYS 100 HZ3 LYS 100 3.831 -2.444 13.308 798 H ILE 101 H ILE 101 0.540 0.051 8.180 799 HA ILE 101 HA ILE 101 2.656 1.846 7.218 800 HB ILE 101 HB ILE 101 0.044 2.546 8.613 801 HG12 ILE 101 HG12 ILE 101 0.410 2.502 5.598 802 HG13 ILE 101 HG13 ILE 101 -0.430 1.245 6.538 803 HG21 ILE 101 HG21 ILE 101 2.065 4.075 6.880 804 HG22 ILE 101 HG22 ILE 101 0.543 4.771 7.430 805 HG23 ILE 101 HG23 ILE 101 1.758 4.292 8.611 806 HD11 ILE 101 HD11 ILE 101 -2.094 2.737 7.331 807 HD12 ILE 101 HD12 ILE 101 -1.332 4.107 6.510 808 HD13 ILE 101 HD13 ILE 101 -2.031 2.780 5.562 809 H VAL 102 H VAL 102 4.282 1.658 8.621 810 HA VAL 102 HA VAL 102 3.816 1.274 11.524 811 HB VAL 102 HB VAL 102 6.336 1.605 11.677 812 HG11 VAL 102 HG11 VAL 102 5.258 -0.686 9.985 813 HG12 VAL 102 HG12 VAL 102 6.757 -0.688 10.959 814 HG13 VAL 102 HG13 VAL 102 5.187 -0.545 11.752 815 HG21 VAL 102 HG21 VAL 102 6.752 2.755 9.516 816 HG22 VAL 102 HG22 VAL 102 7.675 1.259 9.654 817 HG23 VAL 102 HG23 VAL 102 6.240 1.291 8.639 818 H GLU 103 H GLU 103 4.606 3.944 9.271 819 HA GLU 103 HA GLU 103 4.010 5.839 11.476 820 HB2 GLU 103 HB2 GLU 103 6.683 5.448 10.135 821 HB3 GLU 103 HB3 GLU 103 6.180 7.067 10.515 822 HG2 GLU 103 HG2 GLU 103 5.781 5.428 12.864 823 HG3 GLU 103 HG3 GLU 103 7.388 5.139 12.195 824 H GLY 104 H GLY 104 3.863 8.054 10.693 825 HA2 GLY 104 HA2 GLY 104 3.112 9.667 9.254 826 HA3 GLY 104 HA3 GLY 104 3.723 8.709 7.908 827 H LEU 105 H LEU 105 1.196 7.833 10.320 828 HA LEU 105 HA LEU 105 -0.574 6.913 8.252 829 HB2 LEU 105 HB2 LEU 105 -0.497 6.381 10.864 830 HB3 LEU 105 HB3 LEU 105 -1.510 7.800 11.023 831 HG LEU 105 HG LEU 105 -2.958 5.998 10.954 832 HD11 LEU 105 HD11 LEU 105 -3.190 6.765 8.082 833 HD12 LEU 105 HD12 LEU 105 -3.853 7.694 9.462 834 HD13 LEU 105 HD13 LEU 105 -4.384 6.021 9.157 835 HD21 LEU 105 HD21 LEU 105 -1.278 4.957 8.643 836 HD22 LEU 105 HD22 LEU 105 -2.819 4.256 9.046 837 HD23 LEU 105 HD23 LEU 105 -1.490 4.231 10.239 838 H GLU 106 H GLU 106 -0.724 9.826 10.354 839 HA GLU 106 HA GLU 106 -3.143 10.649 9.200 840 HB2 GLU 106 HB2 GLU 106 -1.041 12.315 10.668 841 HB3 GLU 106 HB3 GLU 106 -2.706 12.825 10.327 842 HG2 GLU 106 HG2 GLU 106 -3.576 10.921 11.646 843 HG3 GLU 106 HG3 GLU 106 -1.918 10.375 11.960 844 H ASP 107 H ASP 107 0.103 10.997 8.106 845 HA ASP 107 HA ASP 107 0.036 13.266 6.423 846 HB2 ASP 107 HB2 ASP 107 1.608 10.650 6.301 847 HB3 ASP 107 HB3 ASP 107 1.847 12.019 5.195 848 H LEU 108 H LEU 108 -1.466 10.076 6.090 849 HA LEU 108 HA LEU 108 -1.760 10.115 3.211 850 HB2 LEU 108 HB2 LEU 108 -3.087 8.567 5.465 851 HB3 LEU 108 HB3 LEU 108 -3.586 8.360 3.818 852 HG LEU 108 HG LEU 108 -1.672 7.290 3.122 853 HD11 LEU 108 HD11 LEU 108 0.139 8.758 3.766 854 HD12 LEU 108 HD12 LEU 108 0.479 7.188 4.528 855 HD13 LEU 108 HD13 LEU 108 -0.204 8.471 5.478 856 HD21 LEU 108 HD21 LEU 108 -1.140 5.598 4.866 857 HD22 LEU 108 HD22 LEU 108 -2.888 5.902 4.747 858 HD23 LEU 108 HD23 LEU 108 -1.931 6.600 6.077 859 H LYS 109 H LYS 109 -3.796 11.108 5.928 860 HA LYS 109 HA LYS 109 -6.214 11.582 4.512 861 HB2 LYS 109 HB2 LYS 109 -5.048 12.748 7.076 862 HB3 LYS 109 HB3 LYS 109 -6.682 13.087 6.578 863 HG2 LYS 109 HG2 LYS 109 -5.805 10.197 6.898 864 HG3 LYS 109 HG3 LYS 109 -6.090 11.201 8.303 865 HD2 LYS 109 HD2 LYS 109 -8.399 11.772 7.038 866 HD3 LYS 109 HD3 LYS 109 -8.082 10.222 6.258 867 HE2 LYS 109 HE2 LYS 109 -7.523 9.858 9.045 868 HE3 LYS 109 HE3 LYS 109 -8.931 10.901 8.999 869 HZ1 LYS 109 HZ1 LYS 109 -9.690 8.734 9.074 870 HZ2 LYS 109 HZ2 LYS 109 -8.687 8.169 7.937 871 HZ3 LYS 109 HZ3 LYS 109 -9.973 9.141 7.519 872 H LYS 110 H LYS 110 -3.328 13.332 4.026 873 HA LYS 110 HA LYS 110 -4.736 15.844 3.333 874 HB2 LYS 110 HB2 LYS 110 -2.637 16.924 3.838 875 HB3 LYS 110 HB3 LYS 110 -3.428 16.237 5.248 876 HG2 LYS 110 HG2 LYS 110 -1.910 14.364 5.288 877 HG3 LYS 110 HG3 LYS 110 -1.192 14.827 3.716 878 HD2 LYS 110 HD2 LYS 110 -1.120 16.538 6.191 879 HD3 LYS 110 HD3 LYS 110 0.167 15.385 5.765 880 HE2 LYS 110 HE2 LYS 110 0.421 16.516 3.557 881 HE3 LYS 110 HE3 LYS 110 -0.756 17.744 4.056 882 HZ1 LYS 110 HZ1 LYS 110 1.819 17.172 5.354 883 HZ2 LYS 110 HZ2 LYS 110 0.708 18.322 5.848 884 HZ3 LYS 110 HZ3 LYS 110 1.464 18.467 4.399 885 H ILE 111 H ILE 111 -3.611 13.129 1.827 886 HA ILE 111 HA ILE 111 -2.072 14.516 -0.277 887 HB ILE 111 HB ILE 111 -2.835 11.603 -0.076 888 HG12 ILE 111 HG12 ILE 111 -1.638 11.989 1.924 889 HG13 ILE 111 HG13 ILE 111 -0.643 11.099 0.816 890 HG21 ILE 111 HG21 ILE 111 -1.998 12.194 -2.283 891 HG22 ILE 111 HG22 ILE 111 -0.686 13.162 -1.548 892 HG23 ILE 111 HG23 ILE 111 -0.669 11.408 -1.421 893 HD11 ILE 111 HD11 ILE 111 -0.360 14.049 1.510 894 HD12 ILE 111 HD12 ILE 111 0.720 12.728 1.983 895 HD13 ILE 111 HD13 ILE 111 0.631 13.207 0.289 896 H LYS 112 H LYS 112 -2.729 14.285 -2.544 897 HA LYS 112 HA LYS 112 -5.631 14.546 -2.949 898 HB2 LYS 112 HB2 LYS 112 -3.548 15.841 -4.676 899 HB3 LYS 112 HB3 LYS 112 -5.262 16.114 -4.686 900 HG2 LYS 112 HG2 LYS 112 -3.781 16.715 -2.134 901 HG3 LYS 112 HG3 LYS 112 -3.470 17.713 -3.524 902 HD2 LYS 112 HD2 LYS 112 -5.160 18.534 -1.977 903 HD3 LYS 112 HD3 LYS 112 -5.683 18.410 -3.682 904 HE2 LYS 112 HE2 LYS 112 -6.949 16.349 -3.132 905 HE3 LYS 112 HE3 LYS 112 -6.408 16.453 -1.461 906 HZ1 LYS 112 HZ1 LYS 112 -8.241 18.255 -2.874 907 HZ2 LYS 112 HZ2 LYS 112 -7.524 18.720 -1.482 908 HZ3 LYS 112 HZ3 LYS 112 -8.508 17.403 -1.497 909 H ASP 113 H ASP 113 -6.055 14.006 -5.236 910 HA ASP 113 HA ASP 113 -5.464 11.320 -5.647 911 HB2 ASP 113 HB2 ASP 113 -7.482 12.728 -6.308 912 HB3 ASP 113 HB3 ASP 113 -6.590 13.095 -7.790 913 H GLY 114 H GLY 114 -3.285 13.613 -6.399 914 HA2 GLY 114 HA2 GLY 114 -1.939 11.990 -8.452 915 HA3 GLY 114 HA3 GLY 114 -2.390 13.629 -8.928 916 H GLU 115 H GLU 115 -1.426 13.185 -5.558 917 HA GLU 115 HA GLU 115 0.739 15.080 -5.857 918 HB2 GLU 115 HB2 GLU 115 -0.207 13.297 -3.613 919 HB3 GLU 115 HB3 GLU 115 1.057 14.491 -3.354 920 HG2 GLU 115 HG2 GLU 115 -1.707 15.154 -4.276 921 HG3 GLU 115 HG3 GLU 115 -1.173 15.231 -2.603 922 H LYS 116 H LYS 116 1.120 12.555 -7.261 923 HA LYS 116 HA LYS 116 2.592 10.862 -7.693 924 HB2 LYS 116 HB2 LYS 116 3.436 13.518 -8.101 925 HB3 LYS 116 HB3 LYS 116 4.871 12.686 -7.523 926 HG2 LYS 116 HG2 LYS 116 4.273 10.815 -9.220 927 HG3 LYS 116 HG3 LYS 116 3.085 11.964 -9.872 928 HD2 LYS 116 HD2 LYS 116 6.069 12.527 -9.590 929 HD3 LYS 116 HD3 LYS 116 5.319 11.872 -11.056 930 HE2 LYS 116 HE2 LYS 116 3.967 13.845 -11.350 931 HE3 LYS 116 HE3 LYS 116 4.482 14.505 -9.785 932 HZ1 LYS 116 HZ1 LYS 116 6.766 14.552 -10.622 933 HZ2 LYS 116 HZ2 LYS 116 5.761 15.529 -11.482 934 HZ3 LYS 116 HZ3 LYS 116 6.246 14.094 -12.120 935 H VAL 117 H VAL 117 2.736 9.214 -6.223 936 HA VAL 117 HA VAL 117 4.230 9.703 -3.747 937 HB VAL 117 HB VAL 117 2.244 8.512 -3.539 938 HG11 VAL 117 HG11 VAL 117 1.656 6.373 -4.374 939 HG12 VAL 117 HG12 VAL 117 2.147 7.309 -5.784 940 HG13 VAL 117 HG13 VAL 117 3.248 6.111 -5.084 941 HG21 VAL 117 HG21 VAL 117 4.038 8.098 -2.008 942 HG22 VAL 117 HG22 VAL 117 3.005 6.668 -2.172 943 HG23 VAL 117 HG23 VAL 117 4.591 6.707 -2.971 944 H ALA 118 H ALA 118 6.385 9.740 -4.036 945 HA ALA 118 HA ALA 118 7.864 7.990 -5.907 946 HB1 ALA 118 HB1 ALA 118 9.771 9.327 -5.096 947 HB2 ALA 118 HB2 ALA 118 8.491 10.374 -5.709 948 HB3 ALA 118 HB3 ALA 118 8.705 10.188 -3.956 949 H VAL 119 H VAL 119 7.815 5.961 -5.042 950 HA VAL 119 HA VAL 119 7.900 5.312 -2.196 951 HB VAL 119 HB VAL 119 7.869 3.739 -4.804 952 HG11 VAL 119 HG11 VAL 119 7.833 2.661 -1.979 953 HG12 VAL 119 HG12 VAL 119 7.344 1.740 -3.428 954 HG13 VAL 119 HG13 VAL 119 9.010 2.325 -3.283 955 HG21 VAL 119 HG21 VAL 119 5.591 3.182 -4.272 956 HG22 VAL 119 HG22 VAL 119 5.716 3.926 -2.664 957 HG23 VAL 119 HG23 VAL 119 5.733 4.929 -4.121 958 H ARG 120 H ARG 120 9.797 4.739 -1.095 959 HA ARG 120 HA ARG 120 12.277 4.011 -2.547 960 HB2 ARG 120 HB2 ARG 120 12.391 5.829 -0.138 961 HB3 ARG 120 HB3 ARG 120 13.648 5.432 -1.302 962 HG2 ARG 120 HG2 ARG 120 12.180 6.651 -3.050 963 HG3 ARG 120 HG3 ARG 120 11.253 7.279 -1.677 964 HD2 ARG 120 HD2 ARG 120 14.240 7.543 -2.116 965 HD3 ARG 120 HD3 ARG 120 13.022 8.789 -2.478 966 HE ARG 120 HE ARG 120 12.910 7.935 0.285 967 HH11 ARG 120 HH11 ARG 120 14.673 10.143 -1.939 968 HH12 ARG 120 HH12 ARG 120 14.993 11.278 -0.684 969 HH21 ARG 120 HH21 ARG 120 13.335 9.408 1.867 970 HH22 ARG 120 HH22 ARG 120 14.520 10.657 1.623 971 H PHE 121 H PHE 121 13.938 3.341 -0.429 972 HA PHE 121 HA PHE 121 12.598 1.011 0.745 973 HB2 PHE 121 HB2 PHE 121 15.442 2.027 0.475 974 HB3 PHE 121 HB3 PHE 121 15.052 0.676 1.504 975 HD1 PHE 121 HD1 PHE 121 13.500 -1.192 0.406 976 HD2 PHE 121 HD2 PHE 121 15.756 1.693 -1.793 977 HE1 PHE 121 HE1 PHE 121 13.435 -2.694 -1.553 978 HE2 PHE 121 HE2 PHE 121 15.839 0.132 -3.784 979 HZ PHE 121 HZ PHE 121 14.673 -2.071 -3.654 980 H ALA 122 H ALA 122 13.268 3.926 1.715 981 HA ALA 122 HA ALA 122 13.073 5.231 3.678 982 HB1 ALA 122 HB1 ALA 122 12.158 2.876 5.312 983 HB2 ALA 122 HB2 ALA 122 11.802 4.591 5.498 984 HB3 ALA 122 HB3 ALA 122 11.085 3.666 4.180 985 H SER 123 H SER 123 15.363 5.265 3.403 986 HA SER 123 HA SER 123 17.123 3.548 4.976 987 HB2 SER 123 HB2 SER 123 17.667 6.024 3.301 988 HB3 SER 123 HB3 SER 123 18.857 4.849 3.915 989 HG SER 123 HG SER 123 18.493 4.215 1.926 990 H SER 124 H SER 124 15.127 5.352 6.365 991 HA SER 124 HA SER 124 14.884 6.767 8.060 992 HB2 SER 124 HB2 SER 124 17.034 5.330 8.880 993 HB3 SER 124 HB3 SER 124 17.779 6.927 8.798 994 HG SER 124 HG SER 124 15.709 7.560 10.060 Start of MODEL 13 1 H1 MET 1 H1 MET 1 10.029 -5.491 5.286 2 HA MET 1 HA MET 1 12.630 -4.174 5.479 3 HB2 MET 1 HB2 MET 1 13.081 -4.537 3.312 4 HB3 MET 1 HB3 MET 1 11.970 -5.889 3.563 5 HG2 MET 1 HG2 MET 1 10.152 -4.525 2.686 6 HG3 MET 1 HG3 MET 1 11.315 -3.255 2.289 7 HE1 MET 1 HE1 MET 1 9.371 -4.274 0.108 8 HE2 MET 1 HE2 MET 1 10.687 -3.133 -0.250 9 HE3 MET 1 HE3 MET 1 10.446 -4.568 -1.279 10 H ARG 2 H ARG 2 12.700 -2.105 5.623 11 HA ARG 2 HA ARG 2 10.231 -0.588 5.887 12 HB2 ARG 2 HB2 ARG 2 13.167 -0.168 6.317 13 HB3 ARG 2 HB3 ARG 2 12.290 1.279 5.863 14 HG2 ARG 2 HG2 ARG 2 11.094 -0.517 7.942 15 HG3 ARG 2 HG3 ARG 2 12.487 0.485 8.393 16 HD2 ARG 2 HD2 ARG 2 11.065 2.431 7.312 17 HD3 ARG 2 HD3 ARG 2 9.705 1.337 7.560 18 HE ARG 2 HE ARG 2 11.180 2.876 9.532 19 HH11 ARG 2 HH11 ARG 2 9.552 -0.245 9.212 20 HH12 ARG 2 HH12 ARG 2 9.349 -0.485 10.895 21 HH21 ARG 2 HH21 ARG 2 10.755 2.728 11.662 22 HH22 ARG 2 HH22 ARG 2 9.769 1.463 12.364 23 H VAL 3 H VAL 3 9.507 1.040 4.684 24 HA VAL 3 HA VAL 3 10.804 1.806 2.188 25 HB VAL 3 HB VAL 3 8.123 0.399 2.289 26 HG11 VAL 3 HG11 VAL 3 9.189 1.804 -0.174 27 HG12 VAL 3 HG12 VAL 3 7.689 0.876 -0.033 28 HG13 VAL 3 HG13 VAL 3 7.856 2.400 0.839 29 HG21 VAL 3 HG21 VAL 3 9.762 -1.236 1.989 30 HG22 VAL 3 HG22 VAL 3 9.115 -0.951 0.380 31 HG23 VAL 3 HG23 VAL 3 10.674 -0.217 0.827 32 H GLU 4 H GLU 4 10.126 3.994 1.601 33 HA GLU 4 HA GLU 4 8.335 5.427 3.513 34 HB2 GLU 4 HB2 GLU 4 10.550 6.148 3.999 35 HB3 GLU 4 HB3 GLU 4 11.041 6.151 2.300 36 HG2 GLU 4 HG2 GLU 4 9.447 8.112 1.958 37 HG3 GLU 4 HG3 GLU 4 9.138 8.083 3.693 38 H LEU 5 H LEU 5 6.839 6.645 2.538 39 HA LEU 5 HA LEU 5 6.613 6.639 -0.427 40 HB2 LEU 5 HB2 LEU 5 4.383 6.616 1.668 41 HB3 LEU 5 HB3 LEU 5 4.209 6.500 -0.067 42 HG LEU 5 HG LEU 5 5.386 4.389 1.796 43 HD11 LEU 5 HD11 LEU 5 2.917 4.474 0.025 44 HD12 LEU 5 HD12 LEU 5 3.001 4.371 1.792 45 HD13 LEU 5 HD13 LEU 5 3.525 3.005 0.816 46 HD21 LEU 5 HD21 LEU 5 6.753 4.175 -0.134 47 HD22 LEU 5 HD22 LEU 5 5.414 4.497 -1.221 48 HD23 LEU 5 HD23 LEU 5 5.496 2.958 -0.336 49 H LEU 6 H LEU 6 7.421 8.670 -0.886 50 HA LEU 6 HA LEU 6 6.772 10.977 0.878 51 HB2 LEU 6 HB2 LEU 6 9.110 10.037 -0.332 52 HB3 LEU 6 HB3 LEU 6 8.619 11.277 -1.462 53 HG LEU 6 HG LEU 6 8.981 11.699 1.539 54 HD11 LEU 6 HD11 LEU 6 11.088 11.147 0.391 55 HD12 LEU 6 HD12 LEU 6 11.071 12.819 0.959 56 HD13 LEU 6 HD13 LEU 6 10.811 12.468 -0.772 57 HD21 LEU 6 HD21 LEU 6 8.988 14.128 0.955 58 HD22 LEU 6 HD22 LEU 6 7.437 13.377 0.602 59 HD23 LEU 6 HD23 LEU 6 8.565 13.715 -0.721 60 H PHE 7 H PHE 7 5.358 12.641 0.173 61 HA PHE 7 HA PHE 7 4.484 12.586 -2.669 62 HB2 PHE 7 HB2 PHE 7 2.741 13.439 -0.383 63 HB3 PHE 7 HB3 PHE 7 2.269 13.044 -2.011 64 HD1 PHE 7 HD1 PHE 7 3.422 11.681 1.216 65 HD2 PHE 7 HD2 PHE 7 1.456 10.846 -2.494 66 HE1 PHE 7 HE1 PHE 7 2.629 9.553 2.183 67 HE2 PHE 7 HE2 PHE 7 0.527 8.777 -1.565 68 HZ PHE 7 HZ PHE 7 1.101 8.082 0.781 69 H GLU 8 H GLU 8 3.089 14.826 -2.855 70 HA GLU 8 HA GLU 8 4.880 17.056 -2.411 71 HB2 GLU 8 HB2 GLU 8 1.905 17.120 -3.090 72 HB3 GLU 8 HB3 GLU 8 3.050 18.453 -3.152 73 HG2 GLU 8 HG2 GLU 8 4.329 16.674 -4.799 74 HG3 GLU 8 HG3 GLU 8 2.663 16.203 -5.076 75 H SER 9 H SER 9 1.712 16.041 -0.837 76 HA SER 9 HA SER 9 1.823 18.378 0.825 77 HB2 SER 9 HB2 SER 9 -0.241 17.344 -0.066 78 HB3 SER 9 HB3 SER 9 0.017 15.926 0.941 79 HG SER 9 HG SER 9 -1.497 17.354 1.685 80 H GLY 10 H GLY 10 3.292 15.217 1.184 81 HA2 GLY 10 HA2 GLY 10 4.542 15.705 3.626 82 HA3 GLY 10 HA3 GLY 10 3.029 14.862 4.010 83 H LYS 11 H LYS 11 3.979 12.798 4.598 84 HA LYS 11 HA LYS 11 4.920 11.109 2.567 85 HB2 LYS 11 HB2 LYS 11 7.208 10.812 3.099 86 HB3 LYS 11 HB3 LYS 11 6.979 12.534 2.805 87 HG2 LYS 11 HG2 LYS 11 6.765 12.718 5.413 88 HG3 LYS 11 HG3 LYS 11 7.410 11.076 5.430 89 HD2 LYS 11 HD2 LYS 11 9.320 12.418 5.723 90 HD3 LYS 11 HD3 LYS 11 9.371 11.976 4.015 91 HE2 LYS 11 HE2 LYS 11 9.865 14.333 4.131 92 HE3 LYS 11 HE3 LYS 11 8.206 14.202 3.524 93 HZ1 LYS 11 HZ1 LYS 11 7.747 14.389 6.129 94 HZ2 LYS 11 HZ2 LYS 11 7.902 15.711 5.142 95 HZ3 LYS 11 HZ3 LYS 11 9.158 15.213 6.073 96 H CYS 12 H CYS 12 5.195 8.981 3.438 97 HA CYS 12 HA CYS 12 4.697 8.618 6.313 98 HB2 CYS 12 HB2 CYS 12 2.842 7.492 4.170 99 HB3 CYS 12 HB3 CYS 12 2.840 7.036 5.831 100 HG CYS 12 HG CYS 12 0.854 8.510 5.616 101 H VAL 13 H VAL 13 4.760 5.983 6.678 102 HA VAL 13 HA VAL 13 6.968 4.918 5.041 103 HB VAL 13 HB VAL 13 7.125 5.136 8.062 104 HG11 VAL 13 HG11 VAL 13 9.284 4.454 6.030 105 HG12 VAL 13 HG12 VAL 13 9.448 4.462 7.796 106 HG13 VAL 13 HG13 VAL 13 8.406 3.264 7.014 107 HG21 VAL 13 HG21 VAL 13 8.991 6.807 7.639 108 HG22 VAL 13 HG22 VAL 13 8.410 6.922 5.973 109 HG23 VAL 13 HG23 VAL 13 7.348 7.383 7.325 110 H ILE 14 H ILE 14 6.826 2.770 4.803 111 HA ILE 14 HA ILE 14 4.782 1.337 6.381 112 HB ILE 14 HB ILE 14 4.166 0.075 4.463 113 HG12 ILE 14 HG12 ILE 14 6.264 1.612 2.881 114 HG13 ILE 14 HG13 ILE 14 6.369 -0.082 3.420 115 HG21 ILE 14 HG21 ILE 14 4.222 3.005 3.589 116 HG22 ILE 14 HG22 ILE 14 3.043 1.762 3.133 117 HG23 ILE 14 HG23 ILE 14 3.109 2.343 4.800 118 HD11 ILE 14 HD11 ILE 14 5.811 -0.176 1.147 119 HD12 ILE 14 HD12 ILE 14 4.330 -0.584 2.032 120 HD13 ILE 14 HD13 ILE 14 4.547 1.039 1.313 121 H ASP 15 H ASP 15 5.213 -0.933 6.487 122 HA ASP 15 HA ASP 15 8.056 -1.784 6.004 123 HB2 ASP 15 HB2 ASP 15 7.336 -1.541 8.457 124 HB3 ASP 15 HB3 ASP 15 6.226 -2.899 8.139 125 H LEU 16 H LEU 16 8.210 -3.837 5.021 126 HA LEU 16 HA LEU 16 5.703 -5.302 4.267 127 HB2 LEU 16 HB2 LEU 16 8.024 -4.387 2.567 128 HB3 LEU 16 HB3 LEU 16 6.930 -5.653 2.024 129 HG LEU 16 HG LEU 16 5.938 -2.854 2.716 130 HD11 LEU 16 HD11 LEU 16 6.829 -4.070 0.084 131 HD12 LEU 16 HD12 LEU 16 7.563 -2.690 0.927 132 HD13 LEU 16 HD13 LEU 16 5.935 -2.527 0.234 133 HD21 LEU 16 HD21 LEU 16 3.957 -3.534 1.515 134 HD22 LEU 16 HD22 LEU 16 4.333 -4.832 2.662 135 HD23 LEU 16 HD23 LEU 16 4.732 -5.048 0.961 136 H ASN 17 H ASN 17 5.890 -7.478 4.380 137 HA ASN 17 HA ASN 17 8.419 -8.532 5.512 138 HB2 ASN 17 HB2 ASN 17 6.099 -9.152 6.450 139 HB3 ASN 17 HB3 ASN 17 5.929 -10.136 4.997 140 HD21 ASN 17 HD21 ASN 17 5.836 -11.556 7.402 141 HD22 ASN 17 HD22 ASN 17 7.315 -12.463 7.479 142 H GLU 18 H GLU 18 9.836 -9.725 4.423 143 HA GLU 18 HA GLU 18 9.720 -9.724 1.508 144 HB2 GLU 18 HB2 GLU 18 11.819 -10.442 3.582 145 HB3 GLU 18 HB3 GLU 18 12.122 -10.548 1.842 146 HG2 GLU 18 HG2 GLU 18 11.731 -8.209 1.506 147 HG3 GLU 18 HG3 GLU 18 11.155 -7.986 3.159 148 H GLU 19 H GLU 19 8.191 -11.926 3.283 149 HA GLU 19 HA GLU 19 9.725 -14.331 2.467 150 HB2 GLU 19 HB2 GLU 19 8.267 -15.569 3.948 151 HB3 GLU 19 HB3 GLU 19 9.008 -14.190 4.763 152 HG2 GLU 19 HG2 GLU 19 6.804 -12.922 4.345 153 HG3 GLU 19 HG3 GLU 19 6.132 -14.462 3.806 154 H TYR 20 H TYR 20 7.384 -12.281 1.337 155 HA TYR 20 HA TYR 20 5.729 -14.252 -0.099 156 HB2 TYR 20 HB2 TYR 20 5.544 -11.240 0.260 157 HB3 TYR 20 HB3 TYR 20 4.328 -12.242 -0.437 158 HD1 TYR 20 HD1 TYR 20 3.828 -14.499 1.313 159 HD2 TYR 20 HD2 TYR 20 4.908 -10.439 2.363 160 HE1 TYR 20 HE1 TYR 20 2.933 -14.844 3.571 161 HE2 TYR 20 HE2 TYR 20 3.968 -10.792 4.626 162 HH TYR 20 HH TYR 20 3.579 -13.713 5.930 163 H GLU 21 H GLU 21 5.751 -14.383 -2.259 164 HA GLU 21 HA GLU 21 7.770 -13.722 -4.012 165 HB2 GLU 21 HB2 GLU 21 5.787 -15.232 -4.441 166 HB3 GLU 21 HB3 GLU 21 4.796 -13.808 -4.660 167 HG2 GLU 21 HG2 GLU 21 5.408 -14.528 -6.845 168 HG3 GLU 21 HG3 GLU 21 6.330 -13.079 -6.534 169 H VAL 22 H VAL 22 4.725 -11.834 -3.740 170 HA VAL 22 HA VAL 22 5.526 -9.845 -5.428 171 HB VAL 22 HB VAL 22 3.228 -10.191 -4.614 172 HG11 VAL 22 HG11 VAL 22 2.402 -9.563 -2.435 173 HG12 VAL 22 HG12 VAL 22 3.572 -10.871 -2.326 174 HG13 VAL 22 HG13 VAL 22 4.056 -9.221 -1.888 175 HG21 VAL 22 HG21 VAL 22 2.449 -7.947 -4.269 176 HG22 VAL 22 HG22 VAL 22 4.048 -7.386 -3.770 177 HG23 VAL 22 HG23 VAL 22 3.772 -7.907 -5.445 178 H VAL 23 H VAL 23 6.605 -10.041 -2.030 179 HA VAL 23 HA VAL 23 7.475 -7.244 -2.075 180 HB VAL 23 HB VAL 23 7.928 -9.412 -0.004 181 HG11 VAL 23 HG11 VAL 23 9.659 -7.626 0.112 182 HG12 VAL 23 HG12 VAL 23 8.385 -6.392 0.085 183 HG13 VAL 23 HG13 VAL 23 8.539 -7.495 1.471 184 HG21 VAL 23 HG21 VAL 23 5.910 -7.126 -0.280 185 HG22 VAL 23 HG22 VAL 23 5.559 -8.865 -0.139 186 HG23 VAL 23 HG23 VAL 23 6.197 -7.982 1.242 187 H LYS 24 H LYS 24 8.982 -10.521 -2.477 188 HA LYS 24 HA LYS 24 11.637 -9.705 -2.950 189 HB2 LYS 24 HB2 LYS 24 9.963 -11.903 -4.262 190 HB3 LYS 24 HB3 LYS 24 11.689 -11.796 -4.320 191 HG2 LYS 24 HG2 LYS 24 11.911 -12.213 -1.970 192 HG3 LYS 24 HG3 LYS 24 10.213 -11.931 -1.651 193 HD2 LYS 24 HD2 LYS 24 9.477 -13.880 -2.693 194 HD3 LYS 24 HD3 LYS 24 11.002 -14.183 -3.523 195 HE2 LYS 24 HE2 LYS 24 10.864 -14.118 -0.489 196 HE3 LYS 24 HE3 LYS 24 10.330 -15.540 -1.406 197 HZ1 LYS 24 HZ1 LYS 24 12.497 -15.632 -2.453 198 HZ2 LYS 24 HZ2 LYS 24 12.632 -15.795 -0.832 199 HZ3 LYS 24 HZ3 LYS 24 13.049 -14.382 -1.533 200 H LEU 25 H LEU 25 8.764 -9.807 -5.245 201 HA LEU 25 HA LEU 25 10.308 -9.123 -7.537 202 HB2 LEU 25 HB2 LEU 25 7.404 -8.940 -6.714 203 HB3 LEU 25 HB3 LEU 25 7.986 -8.401 -8.292 204 HG LEU 25 HG LEU 25 6.959 -10.825 -7.745 205 HD11 LEU 25 HD11 LEU 25 7.434 -9.800 -9.989 206 HD12 LEU 25 HD12 LEU 25 7.877 -11.517 -9.929 207 HD13 LEU 25 HD13 LEU 25 9.141 -10.263 -9.786 208 HD21 LEU 25 HD21 LEU 25 8.606 -11.850 -6.487 209 HD22 LEU 25 HD22 LEU 25 9.941 -11.294 -7.515 210 HD23 LEU 25 HD23 LEU 25 8.807 -12.507 -8.096 211 H LEU 26 H LEU 26 8.468 -7.265 -5.129 212 HA LEU 26 HA LEU 26 8.765 -4.681 -6.193 213 HB2 LEU 26 HB2 LEU 26 8.043 -5.968 -3.650 214 HB3 LEU 26 HB3 LEU 26 9.004 -4.571 -3.363 215 HG LEU 26 HG LEU 26 6.270 -4.762 -4.648 216 HD11 LEU 26 HD11 LEU 26 6.437 -4.804 -2.219 217 HD12 LEU 26 HD12 LEU 26 5.741 -3.259 -2.714 218 HD13 LEU 26 HD13 LEU 26 7.429 -3.330 -2.209 219 HD21 LEU 26 HD21 LEU 26 7.389 -3.083 -6.025 220 HD22 LEU 26 HD22 LEU 26 8.062 -2.294 -4.589 221 HD23 LEU 26 HD23 LEU 26 6.309 -2.271 -4.915 222 H LYS 27 H LYS 27 11.152 -6.728 -4.517 223 HA LYS 27 HA LYS 27 12.744 -4.487 -3.603 224 HB2 LYS 27 HB2 LYS 27 12.866 -6.418 -2.340 225 HB3 LYS 27 HB3 LYS 27 13.106 -7.495 -3.690 226 HG2 LYS 27 HG2 LYS 27 15.218 -5.435 -3.075 227 HG3 LYS 27 HG3 LYS 27 15.111 -6.897 -2.097 228 HD2 LYS 27 HD2 LYS 27 15.845 -8.280 -3.745 229 HD3 LYS 27 HD3 LYS 27 15.003 -7.423 -5.034 230 HE2 LYS 27 HE2 LYS 27 16.665 -5.639 -5.030 231 HE3 LYS 27 HE3 LYS 27 17.534 -6.408 -3.686 232 HZ1 LYS 27 HZ1 LYS 27 18.012 -8.262 -5.121 233 HZ2 LYS 27 HZ2 LYS 27 18.526 -6.907 -5.837 234 HZ3 LYS 27 HZ3 LYS 27 17.132 -7.641 -6.359 235 H GLU 28 H GLU 28 12.470 -6.265 -6.602 236 HA GLU 28 HA GLU 28 14.910 -5.155 -7.794 237 HB2 GLU 28 HB2 GLU 28 12.408 -6.341 -9.033 238 HB3 GLU 28 HB3 GLU 28 13.923 -6.047 -9.875 239 HG2 GLU 28 HG2 GLU 28 13.530 -7.944 -7.496 240 HG3 GLU 28 HG3 GLU 28 13.578 -8.392 -9.158 241 H LYS 29 H LYS 29 11.867 -3.867 -6.976 242 HA LYS 29 HA LYS 29 11.854 -1.858 -9.191 243 HB2 LYS 29 HB2 LYS 29 9.510 -3.264 -7.814 244 HB3 LYS 29 HB3 LYS 29 9.390 -1.986 -9.010 245 HG2 LYS 29 HG2 LYS 29 10.409 -4.790 -9.541 246 HG3 LYS 29 HG3 LYS 29 8.888 -4.053 -10.060 247 HD2 LYS 29 HD2 LYS 29 10.555 -2.219 -11.103 248 HD3 LYS 29 HD3 LYS 29 11.690 -3.572 -11.052 249 HE2 LYS 29 HE2 LYS 29 9.984 -4.944 -12.320 250 HE3 LYS 29 HE3 LYS 29 8.963 -3.508 -12.425 251 HZ1 LYS 29 HZ1 LYS 29 11.692 -3.798 -13.507 252 HZ2 LYS 29 HZ2 LYS 29 10.819 -2.389 -13.558 253 HZ3 LYS 29 HZ3 LYS 29 10.307 -3.711 -14.392 254 H ILE 30 H ILE 30 13.044 -1.505 -6.412 255 HA ILE 30 HA ILE 30 11.455 0.908 -5.812 256 HB ILE 30 HB ILE 30 12.542 -1.060 -3.794 257 HG12 ILE 30 HG12 ILE 30 9.760 0.173 -3.979 258 HG13 ILE 30 HG13 ILE 30 10.175 -1.351 -4.727 259 HG21 ILE 30 HG21 ILE 30 13.113 1.338 -3.113 260 HG22 ILE 30 HG22 ILE 30 11.368 1.679 -3.101 261 HG23 ILE 30 HG23 ILE 30 12.075 0.490 -1.991 262 HD11 ILE 30 HD11 ILE 30 9.107 -1.764 -2.583 263 HD12 ILE 30 HD12 ILE 30 10.797 -2.308 -2.536 264 HD13 ILE 30 HD13 ILE 30 10.312 -0.793 -1.739 265 HA PRO 31 HA PRO 31 11.972 2.946 -4.778 266 HB2 PRO 31 HB2 PRO 31 12.942 5.208 -6.221 267 HB3 PRO 31 HB3 PRO 31 13.046 4.929 -4.465 268 HG2 PRO 31 HG2 PRO 31 15.162 4.782 -6.455 269 HG3 PRO 31 HG3 PRO 31 15.251 4.809 -4.659 270 HD2 PRO 31 HD2 PRO 31 15.647 2.556 -6.378 271 HD3 PRO 31 HD3 PRO 31 15.500 2.545 -4.599 272 H PHE 32 H PHE 32 10.233 4.061 -5.962 273 HA PHE 32 HA PHE 32 10.368 4.212 -8.751 274 HB2 PHE 32 HB2 PHE 32 8.589 2.856 -9.482 275 HB3 PHE 32 HB3 PHE 32 9.687 1.822 -8.612 276 HD1 PHE 32 HD1 PHE 32 9.085 1.262 -6.152 277 HD2 PHE 32 HD2 PHE 32 6.271 2.916 -8.934 278 HE1 PHE 32 HE1 PHE 32 7.249 0.011 -5.034 279 HE2 PHE 32 HE2 PHE 32 4.405 1.851 -7.707 280 HZ PHE 32 HZ PHE 32 4.901 0.274 -5.817 281 H GLU 33 H GLU 33 8.373 5.324 -9.630 282 HA GLU 33 HA GLU 33 6.896 6.800 -7.521 283 HB2 GLU 33 HB2 GLU 33 8.264 7.606 -10.054 284 HB3 GLU 33 HB3 GLU 33 6.798 8.415 -9.682 285 HG2 GLU 33 HG2 GLU 33 7.732 8.870 -7.366 286 HG3 GLU 33 HG3 GLU 33 9.285 8.247 -7.920 287 H SER 34 H SER 34 4.850 7.608 -8.297 288 HA SER 34 HA SER 34 3.474 6.473 -10.516 289 HB2 SER 34 HB2 SER 34 3.772 4.413 -8.897 290 HB3 SER 34 HB3 SER 34 2.429 5.145 -8.025 291 HG SER 34 HG SER 34 2.521 4.546 -10.824 292 H VAL 35 H VAL 35 0.960 6.593 -10.176 293 HA VAL 35 HA VAL 35 0.461 9.346 -9.180 294 HB VAL 35 HB VAL 35 -1.410 7.762 -10.980 295 HG11 VAL 35 HG11 VAL 35 -0.941 10.752 -10.544 296 HG12 VAL 35 HG12 VAL 35 -2.154 10.042 -11.633 297 HG13 VAL 35 HG13 VAL 35 -2.290 9.800 -9.892 298 HG21 VAL 35 HG21 VAL 35 0.736 7.803 -12.189 299 HG22 VAL 35 HG22 VAL 35 -0.436 8.885 -12.948 300 HG23 VAL 35 HG23 VAL 35 0.852 9.564 -11.928 301 H VAL 36 H VAL 36 -0.906 9.635 -7.558 302 HA VAL 36 HA VAL 36 -1.577 7.264 -6.043 303 HB VAL 36 HB VAL 36 -1.733 10.238 -5.448 304 HG11 VAL 36 HG11 VAL 36 -1.302 7.978 -3.502 305 HG12 VAL 36 HG12 VAL 36 -1.456 9.690 -3.073 306 HG13 VAL 36 HG13 VAL 36 -2.857 8.841 -3.737 307 HG21 VAL 36 HG21 VAL 36 0.426 10.329 -4.476 308 HG22 VAL 36 HG22 VAL 36 0.645 8.581 -4.677 309 HG23 VAL 36 HG23 VAL 36 0.641 9.670 -6.093 310 H ASN 37 H ASN 37 -3.473 6.550 -7.167 311 HA ASN 37 HA ASN 37 -5.704 8.414 -7.659 312 HB2 ASN 37 HB2 ASN 37 -5.697 5.375 -7.612 313 HB3 ASN 37 HB3 ASN 37 -7.001 6.403 -8.214 314 HD21 ASN 37 HD21 ASN 37 -3.728 5.261 -8.820 315 HD22 ASN 37 HD22 ASN 37 -3.633 5.650 -10.514 316 H THR 38 H THR 38 -7.664 8.423 -6.400 317 HA THR 38 HA THR 38 -7.416 7.221 -3.670 318 HB THR 38 HB THR 38 -8.565 9.274 -2.878 319 HG1 THR 38 HG1 THR 38 -8.138 10.117 -5.554 320 HG21 THR 38 HG21 THR 38 -6.143 9.051 -2.608 321 HG22 THR 38 HG22 THR 38 -6.593 10.739 -2.872 322 HG23 THR 38 HG23 THR 38 -5.865 9.799 -4.191 323 H TRP 39 H TRP 39 -9.119 6.012 -3.000 324 HA TRP 39 HA TRP 39 -11.820 6.353 -4.232 325 HB2 TRP 39 HB2 TRP 39 -10.913 4.575 -5.419 326 HB3 TRP 39 HB3 TRP 39 -10.187 3.831 -4.025 327 HD1 TRP 39 HD1 TRP 39 -13.372 4.162 -5.886 328 HE1 TRP 39 HE1 TRP 39 -14.695 2.026 -5.484 329 HE3 TRP 39 HE3 TRP 39 -10.872 2.463 -1.784 330 HZ2 TRP 39 HZ2 TRP 39 -14.843 -0.056 -3.365 331 HZ3 TRP 39 HZ3 TRP 39 -11.585 0.402 -0.617 332 HH2 TRP 39 HH2 TRP 39 -13.524 -0.878 -1.425 333 H GLY 40 H GLY 40 -12.428 7.501 -2.438 334 HA2 GLY 40 HA2 GLY 40 -13.077 7.961 -0.290 335 HA3 GLY 40 HA3 GLY 40 -13.726 6.362 -0.518 336 H GLU 41 H GLU 41 -11.020 8.205 0.879 337 HA GLU 41 HA GLU 41 -9.856 8.000 2.765 338 HB2 GLU 41 HB2 GLU 41 -12.162 6.188 3.587 339 HB3 GLU 41 HB3 GLU 41 -10.920 6.808 4.653 340 HG2 GLU 41 HG2 GLU 41 -12.791 8.219 4.915 341 HG3 GLU 41 HG3 GLU 41 -11.540 9.137 4.093 342 H GLU 42 H GLU 42 -9.368 6.111 0.549 343 HA GLU 42 HA GLU 42 -7.160 4.685 1.826 344 HB2 GLU 42 HB2 GLU 42 -8.928 3.043 1.562 345 HB3 GLU 42 HB3 GLU 42 -9.289 3.598 -0.044 346 HG2 GLU 42 HG2 GLU 42 -6.901 2.675 -0.665 347 HG3 GLU 42 HG3 GLU 42 -7.037 1.807 0.874 348 H ILE 43 H ILE 43 -5.602 4.153 -0.001 349 HA ILE 43 HA ILE 43 -5.625 5.948 -2.348 350 HB ILE 43 HB ILE 43 -3.506 5.701 -0.175 351 HG12 ILE 43 HG12 ILE 43 -4.291 8.234 -1.655 352 HG13 ILE 43 HG13 ILE 43 -5.306 7.645 -0.355 353 HG21 ILE 43 HG21 ILE 43 -3.045 6.603 -3.051 354 HG22 ILE 43 HG22 ILE 43 -1.915 6.898 -1.702 355 HG23 ILE 43 HG23 ILE 43 -2.248 5.253 -2.212 356 HD11 ILE 43 HD11 ILE 43 -3.323 7.673 1.176 357 HD12 ILE 43 HD12 ILE 43 -2.378 8.439 -0.117 358 HD13 ILE 43 HD13 ILE 43 -3.792 9.270 0.563 359 H TYR 44 H TYR 44 -4.655 4.961 -4.182 360 HA TYR 44 HA TYR 44 -3.137 2.473 -3.848 361 HB2 TYR 44 HB2 TYR 44 -4.462 1.256 -5.497 362 HB3 TYR 44 HB3 TYR 44 -5.459 1.670 -4.111 363 HD1 TYR 44 HD1 TYR 44 -7.041 3.668 -4.348 364 HD2 TYR 44 HD2 TYR 44 -5.076 1.811 -7.692 365 HE1 TYR 44 HE1 TYR 44 -8.723 4.665 -5.887 366 HE2 TYR 44 HE2 TYR 44 -6.766 2.780 -9.242 367 HH TYR 44 HH TYR 44 -8.550 4.386 -9.395 368 H PHE 45 H PHE 45 -1.913 1.908 -5.780 369 HA PHE 45 HA PHE 45 -1.932 3.827 -8.022 370 HB2 PHE 45 HB2 PHE 45 0.576 4.049 -7.816 371 HB3 PHE 45 HB3 PHE 45 -0.465 4.984 -6.783 372 HD1 PHE 45 HD1 PHE 45 -0.516 4.653 -4.371 373 HD2 PHE 45 HD2 PHE 45 2.068 2.246 -6.853 374 HE1 PHE 45 HE1 PHE 45 0.784 3.957 -2.376 375 HE2 PHE 45 HE2 PHE 45 3.353 1.562 -4.819 376 HZ PHE 45 HZ PHE 45 2.720 2.496 -2.597 377 H SER 46 H SER 46 -0.297 3.065 -9.778 378 HA SER 46 HA SER 46 -1.006 0.224 -10.096 379 HB2 SER 46 HB2 SER 46 -0.515 0.721 -12.521 380 HB3 SER 46 HB3 SER 46 -1.875 1.574 -11.808 381 HG SER 46 HG SER 46 -0.909 3.398 -11.910 382 H THR 47 H THR 47 0.590 -0.856 -8.948 383 HA THR 47 HA THR 47 3.271 -0.055 -8.866 384 HB THR 47 HB THR 47 3.636 -2.305 -7.872 385 HG1 THR 47 HG1 THR 47 2.084 -3.490 -9.124 386 HG21 THR 47 HG21 THR 47 2.824 -0.540 -6.412 387 HG22 THR 47 HG22 THR 47 2.031 -2.064 -5.986 388 HG23 THR 47 HG23 THR 47 1.136 -0.842 -6.890 389 HA PRO 48 HA PRO 48 5.008 -1.653 -12.563 390 HB2 PRO 48 HB2 PRO 48 7.651 -1.657 -11.932 391 HB3 PRO 48 HB3 PRO 48 6.731 -0.130 -12.005 392 HG2 PRO 48 HG2 PRO 48 7.331 -1.824 -9.559 393 HG3 PRO 48 HG3 PRO 48 7.654 -0.064 -9.780 394 HD2 PRO 48 HD2 PRO 48 5.421 -0.998 -8.549 395 HD3 PRO 48 HD3 PRO 48 5.329 0.414 -9.644 396 H VAL 49 H VAL 49 5.083 -3.427 -9.610 397 HA VAL 49 HA VAL 49 6.173 -5.870 -10.839 398 HB VAL 49 HB VAL 49 6.944 -5.598 -8.650 399 HG11 VAL 49 HG11 VAL 49 5.459 -5.285 -6.645 400 HG12 VAL 49 HG12 VAL 49 5.641 -3.857 -7.664 401 HG13 VAL 49 HG13 VAL 49 4.151 -4.829 -7.749 402 HG21 VAL 49 HG21 VAL 49 5.999 -7.405 -7.370 403 HG22 VAL 49 HG22 VAL 49 4.521 -7.392 -8.319 404 HG23 VAL 49 HG23 VAL 49 6.047 -7.852 -9.105 405 H ASN 50 H ASN 50 4.868 -7.761 -11.034 406 HA ASN 50 HA ASN 50 1.955 -7.343 -11.094 407 HB2 ASN 50 HB2 ASN 50 3.408 -8.799 -13.308 408 HB3 ASN 50 HB3 ASN 50 1.745 -8.238 -13.275 409 HD21 ASN 50 HD21 ASN 50 1.835 -5.512 -12.812 410 HD22 ASN 50 HD22 ASN 50 2.799 -4.806 -14.080 411 H VAL 51 H VAL 51 1.178 -9.013 -9.739 412 HA VAL 51 HA VAL 51 1.971 -11.739 -10.255 413 HB VAL 51 HB VAL 51 3.713 -11.255 -8.803 414 HG11 VAL 51 HG11 VAL 51 1.948 -10.035 -6.689 415 HG12 VAL 51 HG12 VAL 51 3.726 -10.232 -6.717 416 HG13 VAL 51 HG13 VAL 51 2.965 -9.110 -7.820 417 HG21 VAL 51 HG21 VAL 51 1.678 -12.487 -6.911 418 HG22 VAL 51 HG22 VAL 51 2.537 -13.370 -8.195 419 HG23 VAL 51 HG23 VAL 51 3.439 -12.654 -6.864 420 H GLN 52 H GLN 52 0.404 -13.227 -9.405 421 HA GLN 52 HA GLN 52 -2.139 -12.082 -8.406 422 HB2 GLN 52 HB2 GLN 52 -1.839 -14.004 -10.754 423 HB3 GLN 52 HB3 GLN 52 -3.328 -13.464 -9.991 424 HG2 GLN 52 HG2 GLN 52 -3.371 -11.963 -11.632 425 HG3 GLN 52 HG3 GLN 52 -2.370 -11.075 -10.490 426 HE21 GLN 52 HE21 GLN 52 -0.062 -13.080 -11.336 427 HE22 GLN 52 HE22 GLN 52 0.518 -12.364 -12.821 428 H LYS 53 H LYS 53 0.034 -13.568 -7.110 429 HA LYS 53 HA LYS 53 -1.455 -15.908 -6.006 430 HB2 LYS 53 HB2 LYS 53 0.607 -16.616 -6.975 431 HB3 LYS 53 HB3 LYS 53 1.494 -15.237 -6.324 432 HG2 LYS 53 HG2 LYS 53 1.367 -16.108 -4.057 433 HG3 LYS 53 HG3 LYS 53 0.350 -17.465 -4.566 434 HD2 LYS 53 HD2 LYS 53 2.238 -18.150 -6.140 435 HD3 LYS 53 HD3 LYS 53 3.211 -16.824 -5.456 436 HE2 LYS 53 HE2 LYS 53 2.688 -17.909 -3.163 437 HE3 LYS 53 HE3 LYS 53 2.118 -19.306 -4.075 438 HZ1 LYS 53 HZ1 LYS 53 4.862 -18.167 -4.161 439 HZ2 LYS 53 HZ2 LYS 53 4.347 -19.448 -5.072 440 HZ3 LYS 53 HZ3 LYS 53 4.409 -19.500 -3.404 441 H MET 54 H MET 54 -1.630 -16.003 -3.662 442 HA MET 54 HA MET 54 -0.398 -13.855 -2.124 443 HB2 MET 54 HB2 MET 54 -2.488 -13.407 -0.894 444 HB3 MET 54 HB3 MET 54 -2.620 -12.976 -2.589 445 HG2 MET 54 HG2 MET 54 -3.666 -15.469 -2.743 446 HG3 MET 54 HG3 MET 54 -3.992 -15.143 -1.048 447 HE1 MET 54 HE1 MET 54 -7.461 -14.626 -2.864 448 HE2 MET 54 HE2 MET 54 -6.189 -15.782 -3.319 449 HE3 MET 54 HE3 MET 54 -6.594 -15.530 -1.607 450 H GLU 55 H GLU 55 -0.168 -14.455 0.061 451 HA GLU 55 HA GLU 55 -0.377 -17.403 0.579 452 HB2 GLU 55 HB2 GLU 55 1.455 -15.180 1.498 453 HB3 GLU 55 HB3 GLU 55 1.275 -16.607 2.504 454 HG2 GLU 55 HG2 GLU 55 1.893 -16.854 -0.460 455 HG3 GLU 55 HG3 GLU 55 3.174 -16.570 0.715 456 H ASN 56 H ASN 56 -0.840 -14.197 2.129 457 HA ASN 56 HA ASN 56 -2.582 -15.440 4.219 458 HB2 ASN 56 HB2 ASN 56 -0.338 -14.786 5.031 459 HB3 ASN 56 HB3 ASN 56 -0.592 -13.139 4.472 460 HD21 ASN 56 HD21 ASN 56 -2.377 -11.915 5.519 461 HD22 ASN 56 HD22 ASN 56 -2.763 -12.231 7.199 462 HA PRO 57 HA PRO 57 -4.953 -12.177 1.882 463 HB2 PRO 57 HB2 PRO 57 -7.125 -13.617 1.110 464 HB3 PRO 57 HB3 PRO 57 -5.605 -13.532 0.179 465 HG2 PRO 57 HG2 PRO 57 -6.491 -15.695 2.100 466 HG3 PRO 57 HG3 PRO 57 -5.792 -15.890 0.456 467 HD2 PRO 57 HD2 PRO 57 -4.276 -16.089 2.726 468 HD3 PRO 57 HD3 PRO 57 -3.642 -15.423 1.181 469 H ARG 58 H ARG 58 -6.888 -11.157 2.547 470 HA ARG 58 HA ARG 58 -8.311 -12.182 4.892 471 HB2 ARG 58 HB2 ARG 58 -7.960 -9.662 5.849 472 HB3 ARG 58 HB3 ARG 58 -6.968 -10.939 6.257 473 HG2 ARG 58 HG2 ARG 58 -5.908 -8.915 5.830 474 HG3 ARG 58 HG3 ARG 58 -5.368 -10.011 4.524 475 HD2 ARG 58 HD2 ARG 58 -7.010 -8.861 3.053 476 HD3 ARG 58 HD3 ARG 58 -7.463 -7.786 4.383 477 HE ARG 58 HE ARG 58 -4.617 -8.023 3.688 478 HH11 ARG 58 HH11 ARG 58 -7.416 -5.872 3.371 479 HH12 ARG 58 HH12 ARG 58 -6.505 -4.423 3.325 480 HH21 ARG 58 HH21 ARG 58 -3.373 -6.225 3.390 481 HH22 ARG 58 HH22 ARG 58 -4.040 -4.653 3.449 482 H GLU 59 H GLU 59 -10.301 -11.093 5.226 483 HA GLU 59 HA GLU 59 -11.114 -9.309 2.958 484 HB2 GLU 59 HB2 GLU 59 -12.878 -11.188 4.581 485 HB3 GLU 59 HB3 GLU 59 -13.429 -9.951 3.431 486 HG2 GLU 59 HG2 GLU 59 -11.838 -11.044 1.752 487 HG3 GLU 59 HG3 GLU 59 -11.856 -12.443 2.821 488 H VAL 60 H VAL 60 -10.004 -9.057 6.105 489 HA VAL 60 HA VAL 60 -10.994 -6.337 6.144 490 HB VAL 60 HB VAL 60 -12.780 -7.387 7.045 491 HG11 VAL 60 HG11 VAL 60 -12.095 -9.543 7.547 492 HG12 VAL 60 HG12 VAL 60 -11.209 -8.980 8.989 493 HG13 VAL 60 HG13 VAL 60 -13.001 -8.843 8.877 494 HG21 VAL 60 HG21 VAL 60 -12.946 -6.609 9.436 495 HG22 VAL 60 HG22 VAL 60 -11.221 -6.245 9.396 496 HG23 VAL 60 HG23 VAL 60 -12.332 -5.387 8.320 497 H VAL 61 H VAL 61 -9.865 -4.974 7.689 498 HA VAL 61 HA VAL 61 -7.391 -6.066 8.883 499 HB VAL 61 HB VAL 61 -6.101 -4.288 7.744 500 HG11 VAL 61 HG11 VAL 61 -6.306 -6.641 6.769 501 HG12 VAL 61 HG12 VAL 61 -7.430 -5.934 5.573 502 HG13 VAL 61 HG13 VAL 61 -5.764 -5.313 5.744 503 HG21 VAL 61 HG21 VAL 61 -8.528 -3.869 5.946 504 HG22 VAL 61 HG22 VAL 61 -8.038 -2.743 7.212 505 HG23 VAL 61 HG23 VAL 61 -6.952 -3.047 5.860 506 H GLU 62 H GLU 62 -6.100 -3.997 9.811 507 HA GLU 62 HA GLU 62 -7.885 -2.305 11.403 508 HB2 GLU 62 HB2 GLU 62 -4.858 -2.559 11.232 509 HB3 GLU 62 HB3 GLU 62 -5.726 -1.631 12.437 510 HG2 GLU 62 HG2 GLU 62 -5.900 -3.392 13.767 511 HG3 GLU 62 HG3 GLU 62 -6.698 -4.353 12.559 512 H ILE 63 H ILE 63 -7.082 0.029 11.472 513 HA ILE 63 HA ILE 63 -7.465 1.149 8.894 514 HB ILE 63 HB ILE 63 -6.782 2.308 11.638 515 HG12 ILE 63 HG12 ILE 63 -9.310 2.313 9.944 516 HG13 ILE 63 HG13 ILE 63 -8.998 1.212 11.303 517 HG21 ILE 63 HG21 ILE 63 -7.436 4.571 10.842 518 HG22 ILE 63 HG22 ILE 63 -6.011 4.001 10.026 519 HG23 ILE 63 HG23 ILE 63 -7.576 3.934 9.192 520 HD11 ILE 63 HD11 ILE 63 -9.590 4.165 11.385 521 HD12 ILE 63 HD12 ILE 63 -10.437 2.830 12.165 522 HD13 ILE 63 HD13 ILE 63 -8.829 3.289 12.754 523 H GLY 64 H GLY 64 -4.587 -0.040 9.989 524 HA2 GLY 64 HA2 GLY 64 -2.953 1.915 8.444 525 HA3 GLY 64 HA3 GLY 64 -2.498 1.463 10.089 526 H ASP 65 H ASP 65 -3.800 -0.445 7.351 527 HA ASP 65 HA ASP 65 -1.394 -2.239 7.450 528 HB2 ASP 65 HB2 ASP 65 -4.286 -2.858 6.973 529 HB3 ASP 65 HB3 ASP 65 -3.056 -3.989 6.532 530 H VAL 66 H VAL 66 -1.211 -3.487 5.302 531 HA VAL 66 HA VAL 66 -1.918 -1.772 2.987 532 HB VAL 66 HB VAL 66 0.816 -2.795 3.844 533 HG11 VAL 66 HG11 VAL 66 1.746 -1.833 1.810 534 HG12 VAL 66 HG12 VAL 66 0.677 -3.199 1.487 535 HG13 VAL 66 HG13 VAL 66 0.102 -1.532 1.191 536 HG21 VAL 66 HG21 VAL 66 1.314 -0.309 3.680 537 HG22 VAL 66 HG22 VAL 66 -0.458 -0.098 3.444 538 HG23 VAL 66 HG23 VAL 66 0.156 -0.796 4.946 539 H GLY 67 H GLY 67 -2.439 -2.883 1.166 540 HA2 GLY 67 HA2 GLY 67 -1.971 -5.835 1.277 541 HA3 GLY 67 HA3 GLY 67 -3.542 -5.170 0.816 542 H TYR 68 H TYR 68 -2.194 -6.860 -0.911 543 HA TYR 68 HA TYR 68 -1.526 -4.917 -3.097 544 HB2 TYR 68 HB2 TYR 68 0.331 -6.337 -2.255 545 HB3 TYR 68 HB3 TYR 68 -0.570 -7.771 -2.751 546 HD1 TYR 68 HD1 TYR 68 1.286 -4.773 -3.878 547 HD2 TYR 68 HD2 TYR 68 -0.802 -8.353 -5.095 548 HE1 TYR 68 HE1 TYR 68 2.417 -4.668 -6.064 549 HE2 TYR 68 HE2 TYR 68 0.371 -8.294 -7.269 550 HH TYR 68 HH TYR 68 1.539 -6.623 -8.736 551 H TRP 69 H TRP 69 -2.592 -5.075 -4.979 552 HA TRP 69 HA TRP 69 -5.046 -6.666 -4.871 553 HB2 TRP 69 HB2 TRP 69 -5.105 -4.188 -4.424 554 HB3 TRP 69 HB3 TRP 69 -4.782 -3.953 -6.132 555 HD1 TRP 69 HD1 TRP 69 -7.231 -6.447 -4.387 556 HE1 TRP 69 HE1 TRP 69 -9.629 -5.956 -5.132 557 HE3 TRP 69 HE3 TRP 69 -6.330 -2.530 -7.566 558 HZ2 TRP 69 HZ2 TRP 69 -10.983 -4.103 -6.757 559 HZ3 TRP 69 HZ3 TRP 69 -8.202 -1.476 -8.780 560 HH2 TRP 69 HH2 TRP 69 -10.559 -2.177 -8.321 561 HA PRO 70 HA PRO 70 -2.743 -8.217 -8.457 562 HB2 PRO 70 HB2 PRO 70 -3.972 -10.619 -8.792 563 HB3 PRO 70 HB3 PRO 70 -2.817 -10.294 -7.467 564 HG2 PRO 70 HG2 PRO 70 -5.835 -10.325 -7.399 565 HG3 PRO 70 HG3 PRO 70 -4.721 -10.979 -6.207 566 HD2 PRO 70 HD2 PRO 70 -5.921 -8.484 -5.972 567 HD3 PRO 70 HD3 PRO 70 -4.467 -8.891 -5.179 568 HA PRO 71 HA PRO 71 -6.568 -8.634 -11.272 569 HB2 PRO 71 HB2 PRO 71 -8.864 -7.283 -10.779 570 HB3 PRO 71 HB3 PRO 71 -8.529 -8.909 -10.116 571 HG2 PRO 71 HG2 PRO 71 -8.323 -6.245 -8.690 572 HG3 PRO 71 HG3 PRO 71 -8.803 -7.853 -7.990 573 HD2 PRO 71 HD2 PRO 71 -6.440 -6.859 -7.628 574 HD3 PRO 71 HD3 PRO 71 -6.895 -8.599 -7.704 575 H GLY 72 H GLY 72 -6.078 -5.526 -9.605 576 HA2 GLY 72 HA2 GLY 72 -5.986 -4.033 -12.174 577 HA3 GLY 72 HA3 GLY 72 -6.336 -3.394 -10.606 578 H LYS 73 H LYS 73 -3.757 -5.585 -10.465 579 HA LYS 73 HA LYS 73 -1.563 -5.310 -9.835 580 HB2 LYS 73 HB2 LYS 73 -1.713 -3.882 -12.511 581 HB3 LYS 73 HB3 LYS 73 -0.178 -4.295 -11.717 582 HG2 LYS 73 HG2 LYS 73 -0.453 -6.559 -11.932 583 HG3 LYS 73 HG3 LYS 73 -2.211 -6.463 -11.927 584 HD2 LYS 73 HD2 LYS 73 -1.718 -5.327 -14.353 585 HD3 LYS 73 HD3 LYS 73 -0.284 -6.378 -14.191 586 HE2 LYS 73 HE2 LYS 73 -2.103 -8.095 -13.244 587 HE3 LYS 73 HE3 LYS 73 -3.238 -7.059 -14.117 588 HZ1 LYS 73 HZ1 LYS 73 -1.898 -7.557 -16.139 589 HZ2 LYS 73 HZ2 LYS 73 -2.472 -8.934 -15.485 590 HZ3 LYS 73 HZ3 LYS 73 -0.905 -8.538 -15.254 591 H ALA 74 H ALA 74 -2.603 -3.985 -8.032 592 HA ALA 74 HA ALA 74 -1.201 -1.417 -7.923 593 HB1 ALA 74 HB1 ALA 74 -4.171 -1.822 -7.329 594 HB2 ALA 74 HB2 ALA 74 -3.280 -0.312 -7.083 595 HB3 ALA 74 HB3 ALA 74 -3.508 -0.935 -8.721 596 H LEU 75 H LEU 75 -1.419 -0.445 -5.782 597 HA LEU 75 HA LEU 75 -1.095 -2.401 -3.554 598 HB2 LEU 75 HB2 LEU 75 0.852 -0.971 -4.193 599 HB3 LEU 75 HB3 LEU 75 -0.095 0.484 -3.933 600 HG LEU 75 HG LEU 75 -0.137 -1.409 -1.660 601 HD11 LEU 75 HD11 LEU 75 2.138 -1.028 -0.889 602 HD12 LEU 75 HD12 LEU 75 2.484 -0.084 -2.362 603 HD13 LEU 75 HD13 LEU 75 2.127 -1.817 -2.462 604 HD21 LEU 75 HD21 LEU 75 -0.162 0.473 -0.322 605 HD22 LEU 75 HD22 LEU 75 -0.909 1.110 -1.781 606 HD23 LEU 75 HD23 LEU 75 0.786 1.456 -1.473 607 H CYS 76 H CYS 76 -2.089 -1.648 -1.388 608 HA CYS 76 HA CYS 76 -3.842 0.728 -1.549 609 HB2 CYS 76 HB2 CYS 76 -5.519 -0.588 -0.108 610 HB3 CYS 76 HB3 CYS 76 -5.452 -0.966 -1.828 611 HG CYS 76 HG CYS 76 -5.948 -3.115 -0.782 612 H LEU 77 H LEU 77 -3.905 1.982 -0.025 613 HA LEU 77 HA LEU 77 -2.526 1.433 2.555 614 HB2 LEU 77 HB2 LEU 77 -2.978 4.122 1.194 615 HB3 LEU 77 HB3 LEU 77 -2.283 3.889 2.643 616 HG LEU 77 HG LEU 77 -0.976 2.854 0.114 617 HD11 LEU 77 HD11 LEU 77 -0.641 5.484 1.604 618 HD12 LEU 77 HD12 LEU 77 -1.181 5.250 -0.064 619 HD13 LEU 77 HD13 LEU 77 0.490 4.879 0.372 620 HD21 LEU 77 HD21 LEU 77 0.064 3.335 2.944 621 HD22 LEU 77 HD22 LEU 77 1.066 2.920 1.557 622 HD23 LEU 77 HD23 LEU 77 -0.161 1.757 2.151 623 H PHE 78 H PHE 78 -4.196 1.190 4.017 624 HA PHE 78 HA PHE 78 -6.810 2.512 3.493 625 HB2 PHE 78 HB2 PHE 78 -6.008 0.610 5.730 626 HB3 PHE 78 HB3 PHE 78 -7.638 1.027 5.214 627 HD1 PHE 78 HD1 PHE 78 -8.148 0.447 2.620 628 HD2 PHE 78 HD2 PHE 78 -5.009 -1.369 4.914 629 HE1 PHE 78 HE1 PHE 78 -8.113 -1.506 1.058 630 HE2 PHE 78 HE2 PHE 78 -4.852 -3.181 3.262 631 HZ PHE 78 HZ PHE 78 -6.596 -3.357 1.386 632 H PHE 79 H PHE 79 -7.531 4.193 4.936 633 HA PHE 79 HA PHE 79 -6.129 4.563 7.459 634 HB2 PHE 79 HB2 PHE 79 -5.526 6.922 7.094 635 HB3 PHE 79 HB3 PHE 79 -4.607 5.776 6.145 636 HD1 PHE 79 HD1 PHE 79 -4.871 5.556 3.748 637 HD2 PHE 79 HD2 PHE 79 -7.127 8.456 5.986 638 HE1 PHE 79 HE1 PHE 79 -5.411 6.730 1.659 639 HE2 PHE 79 HE2 PHE 79 -7.634 9.696 3.868 640 HZ PHE 79 HZ PHE 79 -6.743 8.855 1.726 641 H GLY 80 H GLY 80 -9.018 4.348 5.947 642 HA2 GLY 80 HA2 GLY 80 -10.335 5.371 8.248 643 HA3 GLY 80 HA3 GLY 80 -10.603 6.429 6.855 644 H LYS 81 H LYS 81 -12.828 5.665 7.410 645 HA LYS 81 HA LYS 81 -13.535 2.902 6.853 646 HB2 LYS 81 HB2 LYS 81 -14.566 4.687 8.554 647 HB3 LYS 81 HB3 LYS 81 -15.567 5.135 7.181 648 HG2 LYS 81 HG2 LYS 81 -15.271 2.370 8.429 649 HG3 LYS 81 HG3 LYS 81 -16.621 3.491 8.662 650 HD2 LYS 81 HD2 LYS 81 -16.902 3.305 6.046 651 HD3 LYS 81 HD3 LYS 81 -15.880 1.876 6.232 652 HE2 LYS 81 HE2 LYS 81 -18.064 1.013 6.342 653 HE3 LYS 81 HE3 LYS 81 -17.554 1.074 8.032 654 HZ1 LYS 81 HZ1 LYS 81 -19.290 2.996 6.605 655 HZ2 LYS 81 HZ2 LYS 81 -18.790 3.260 8.124 656 HZ3 LYS 81 HZ3 LYS 81 -19.772 1.973 7.787 657 H THR 82 H THR 82 -13.364 2.337 4.737 658 HA THR 82 HA THR 82 -13.589 4.195 2.539 659 HB THR 82 HB THR 82 -13.607 1.660 1.442 660 HG1 THR 82 HG1 THR 82 -12.927 0.225 2.667 661 HG21 THR 82 HG21 THR 82 -11.234 3.231 2.483 662 HG22 THR 82 HG22 THR 82 -11.826 3.046 0.809 663 HG23 THR 82 HG23 THR 82 -11.047 1.708 1.587 664 HA PRO 83 HA PRO 83 -17.841 3.716 1.541 665 HB2 PRO 83 HB2 PRO 83 -17.951 3.868 -1.181 666 HB3 PRO 83 HB3 PRO 83 -17.343 5.207 -0.165 667 HG2 PRO 83 HG2 PRO 83 -15.702 3.048 -1.550 668 HG3 PRO 83 HG3 PRO 83 -15.492 4.829 -1.661 669 HD2 PRO 83 HD2 PRO 83 -14.038 3.372 0.079 670 HD3 PRO 83 HD3 PRO 83 -14.704 4.957 0.575 671 H MET 84 H MET 84 -16.020 0.980 1.316 672 HA MET 84 HA MET 84 -18.303 -0.661 0.427 673 HB2 MET 84 HB2 MET 84 -16.658 -0.339 -1.484 674 HB3 MET 84 HB3 MET 84 -15.454 -1.175 -0.510 675 HG2 MET 84 HG2 MET 84 -18.081 -2.552 -0.817 676 HG3 MET 84 HG3 MET 84 -17.148 -2.356 -2.295 677 HE1 MET 84 HE1 MET 84 -18.213 -4.955 -0.832 678 HE2 MET 84 HE2 MET 84 -17.368 -5.153 -2.375 679 HE3 MET 84 HE3 MET 84 -16.885 -6.123 -0.957 680 H SER 85 H SER 85 -18.482 -0.538 2.772 681 HA SER 85 HA SER 85 -17.644 -2.843 4.108 682 HB2 SER 85 HB2 SER 85 -16.512 -0.976 5.933 683 HB3 SER 85 HB3 SER 85 -15.789 -2.370 5.130 684 HG SER 85 HG SER 85 -15.306 -1.058 3.375 685 H ASP 86 H ASP 86 -18.303 -2.237 6.711 686 HA ASP 86 HA ASP 86 -20.354 -0.198 6.742 687 HB2 ASP 86 HB2 ASP 86 -21.293 -2.586 5.781 688 HB3 ASP 86 HB3 ASP 86 -21.538 -2.850 7.492 689 H ASP 87 H ASP 87 -19.551 -3.261 8.322 690 HA ASP 87 HA ASP 87 -19.640 -2.122 11.038 691 HB2 ASP 87 HB2 ASP 87 -20.349 -4.556 10.401 692 HB3 ASP 87 HB3 ASP 87 -18.682 -4.862 10.087 693 H LYS 88 H LYS 88 -17.279 -3.401 8.737 694 HA LYS 88 HA LYS 88 -14.960 -2.822 10.504 695 HB2 LYS 88 HB2 LYS 88 -14.286 -5.113 10.372 696 HB3 LYS 88 HB3 LYS 88 -15.951 -5.049 10.939 697 HG2 LYS 88 HG2 LYS 88 -16.645 -5.462 8.466 698 HG3 LYS 88 HG3 LYS 88 -14.943 -5.822 8.173 699 HD2 LYS 88 HD2 LYS 88 -16.232 -7.844 8.446 700 HD3 LYS 88 HD3 LYS 88 -15.073 -7.718 9.763 701 HE2 LYS 88 HE2 LYS 88 -17.890 -6.632 10.181 702 HE3 LYS 88 HE3 LYS 88 -17.660 -8.378 10.100 703 HZ1 LYS 88 HZ1 LYS 88 -16.160 -8.297 11.931 704 HZ2 LYS 88 HZ2 LYS 88 -17.562 -7.498 12.336 705 HZ3 LYS 88 HZ3 LYS 88 -16.211 -6.665 12.022 706 H ILE 89 H ILE 89 -12.908 -2.924 9.327 707 HA ILE 89 HA ILE 89 -13.343 -1.558 6.797 708 HB ILE 89 HB ILE 89 -10.885 -1.999 8.514 709 HG12 ILE 89 HG12 ILE 89 -12.162 0.692 7.949 710 HG13 ILE 89 HG13 ILE 89 -12.993 -0.363 9.081 711 HG21 ILE 89 HG21 ILE 89 -10.076 -1.695 6.219 712 HG22 ILE 89 HG22 ILE 89 -11.158 -0.321 5.974 713 HG23 ILE 89 HG23 ILE 89 -9.802 -0.206 7.112 714 HD11 ILE 89 HD11 ILE 89 -11.107 -0.512 10.519 715 HD12 ILE 89 HD12 ILE 89 -10.093 0.354 9.344 716 HD13 ILE 89 HD13 ILE 89 -11.449 1.199 10.149 717 H GLN 90 H GLN 90 -14.151 -3.382 5.696 718 HA GLN 90 HA GLN 90 -12.438 -5.551 4.859 719 HB2 GLN 90 HB2 GLN 90 -14.989 -4.372 3.656 720 HB3 GLN 90 HB3 GLN 90 -14.265 -5.920 3.192 721 HG2 GLN 90 HG2 GLN 90 -14.596 -6.797 5.456 722 HG3 GLN 90 HG3 GLN 90 -15.208 -5.288 6.036 723 HE21 GLN 90 HE21 GLN 90 -16.338 -8.064 5.846 724 HE22 GLN 90 HE22 GLN 90 -17.949 -7.796 5.223 725 HA PRO 91 HA PRO 91 -10.604 -3.075 1.430 726 HB2 PRO 91 HB2 PRO 91 -9.422 -5.090 0.041 727 HB3 PRO 91 HB3 PRO 91 -8.695 -4.366 1.461 728 HG2 PRO 91 HG2 PRO 91 -10.223 -6.972 1.344 729 HG3 PRO 91 HG3 PRO 91 -8.775 -6.598 2.296 730 HD2 PRO 91 HD2 PRO 91 -11.365 -6.633 3.211 731 HD3 PRO 91 HD3 PRO 91 -10.092 -5.621 3.971 732 H ALA 92 H ALA 92 -10.623 -3.306 -1.051 733 HA ALA 92 HA ALA 92 -13.280 -3.810 -1.799 734 HB1 ALA 92 HB1 ALA 92 -11.832 -2.126 -2.940 735 HB2 ALA 92 HB2 ALA 92 -10.884 -3.451 -3.654 736 HB3 ALA 92 HB3 ALA 92 -12.581 -3.237 -4.098 737 H SER 93 H SER 93 -10.498 -5.938 -1.813 738 HA SER 93 HA SER 93 -12.192 -8.199 -2.546 739 HB2 SER 93 HB2 SER 93 -9.657 -7.632 -4.184 740 HB3 SER 93 HB3 SER 93 -10.762 -9.004 -4.392 741 HG SER 93 HG SER 93 -11.169 -7.375 -5.978 742 H ALA 94 H ALA 94 -10.751 -10.352 -2.213 743 HA ALA 94 HA ALA 94 -9.592 -9.963 0.371 744 HB1 ALA 94 HB1 ALA 94 -9.116 -12.344 0.366 745 HB2 ALA 94 HB2 ALA 94 -10.775 -12.056 -0.163 746 HB3 ALA 94 HB3 ALA 94 -9.501 -12.455 -1.351 747 H VAL 95 H VAL 95 -7.984 -8.420 -0.080 748 HA VAL 95 HA VAL 95 -5.628 -9.151 -1.684 749 HB VAL 95 HB VAL 95 -4.756 -7.047 -1.088 750 HG11 VAL 95 HG11 VAL 95 -6.319 -5.408 -1.628 751 HG12 VAL 95 HG12 VAL 95 -7.025 -6.879 -2.377 752 HG13 VAL 95 HG13 VAL 95 -7.630 -6.250 -0.823 753 HG21 VAL 95 HG21 VAL 95 -6.677 -7.016 1.221 754 HG22 VAL 95 HG22 VAL 95 -4.892 -7.022 1.199 755 HG23 VAL 95 HG23 VAL 95 -5.761 -5.582 0.680 756 H ASN 96 H ASN 96 -3.428 -9.104 -0.434 757 HA ASN 96 HA ASN 96 -3.617 -10.786 1.993 758 HB2 ASN 96 HB2 ASN 96 -1.053 -10.608 1.711 759 HB3 ASN 96 HB3 ASN 96 -1.996 -11.713 0.713 760 HD21 ASN 96 HD21 ASN 96 -0.176 -11.752 -0.689 761 HD22 ASN 96 HD22 ASN 96 -0.217 -10.630 -2.036 762 H VAL 97 H VAL 97 -2.584 -10.313 3.926 763 HA VAL 97 HA VAL 97 -1.908 -7.445 4.254 764 HB VAL 97 HB VAL 97 -1.844 -9.562 6.446 765 HG11 VAL 97 HG11 VAL 97 -0.303 -7.540 6.686 766 HG12 VAL 97 HG12 VAL 97 -1.736 -6.489 6.549 767 HG13 VAL 97 HG13 VAL 97 -1.559 -7.597 7.920 768 HG21 VAL 97 HG21 VAL 97 -3.780 -8.212 7.421 769 HG22 VAL 97 HG22 VAL 97 -4.064 -7.703 5.752 770 HG23 VAL 97 HG23 VAL 97 -4.051 -9.443 6.232 771 H ILE 98 H ILE 98 0.058 -7.147 3.329 772 HA ILE 98 HA ILE 98 2.211 -9.106 4.034 773 HB ILE 98 HB ILE 98 3.401 -8.484 1.966 774 HG12 ILE 98 HG12 ILE 98 0.789 -7.090 1.175 775 HG13 ILE 98 HG13 ILE 98 2.349 -6.312 1.481 776 HG21 ILE 98 HG21 ILE 98 1.855 -10.524 2.246 777 HG22 ILE 98 HG22 ILE 98 0.720 -9.595 1.258 778 HG23 ILE 98 HG23 ILE 98 2.290 -10.056 0.589 779 HD11 ILE 98 HD11 ILE 98 2.084 -6.467 -0.871 780 HD12 ILE 98 HD12 ILE 98 3.304 -7.663 -0.421 781 HD13 ILE 98 HD13 ILE 98 1.626 -8.178 -0.787 782 H GLY 99 H GLY 99 1.082 -5.824 4.211 783 HA2 GLY 99 HA2 GLY 99 3.741 -4.949 5.152 784 HA3 GLY 99 HA3 GLY 99 2.851 -4.019 3.934 785 H LYS 100 H LYS 100 3.437 -2.758 6.200 786 HA LYS 100 HA LYS 100 0.746 -2.360 7.388 787 HB2 LYS 100 HB2 LYS 100 2.449 -3.839 8.770 788 HB3 LYS 100 HB3 LYS 100 3.280 -2.347 9.063 789 HG2 LYS 100 HG2 LYS 100 1.897 -2.508 10.914 790 HG3 LYS 100 HG3 LYS 100 0.981 -1.412 9.874 791 HD2 LYS 100 HD2 LYS 100 -0.259 -3.437 8.991 792 HD3 LYS 100 HD3 LYS 100 0.751 -4.437 10.032 793 HE2 LYS 100 HE2 LYS 100 -0.241 -3.112 12.012 794 HE3 LYS 100 HE3 LYS 100 -1.410 -2.459 10.853 795 HZ1 LYS 100 HZ1 LYS 100 -2.148 -4.634 10.350 796 HZ2 LYS 100 HZ2 LYS 100 -2.294 -4.398 11.936 797 HZ3 LYS 100 HZ3 LYS 100 -1.047 -5.349 11.385 798 H ILE 101 H ILE 101 0.291 -0.182 7.837 799 HA ILE 101 HA ILE 101 2.239 1.867 6.968 800 HB ILE 101 HB ILE 101 -0.620 2.044 8.011 801 HG12 ILE 101 HG12 ILE 101 0.505 2.781 5.269 802 HG13 ILE 101 HG13 ILE 101 -0.245 1.239 5.634 803 HG21 ILE 101 HG21 ILE 101 1.395 4.230 7.323 804 HG22 ILE 101 HG22 ILE 101 -0.358 4.526 7.470 805 HG23 ILE 101 HG23 ILE 101 0.559 3.972 8.853 806 HD11 ILE 101 HD11 ILE 101 -1.871 2.709 4.532 807 HD12 ILE 101 HD12 ILE 101 -2.349 2.250 6.203 808 HD13 ILE 101 HD13 ILE 101 -1.707 3.874 5.844 809 H VAL 102 H VAL 102 3.834 1.453 8.382 810 HA VAL 102 HA VAL 102 3.355 1.104 11.259 811 HB VAL 102 HB VAL 102 5.820 1.123 11.471 812 HG11 VAL 102 HG11 VAL 102 6.164 -1.033 10.470 813 HG12 VAL 102 HG12 VAL 102 4.474 -0.945 10.973 814 HG13 VAL 102 HG13 VAL 102 4.897 -0.748 9.258 815 HG21 VAL 102 HG21 VAL 102 5.866 1.399 8.433 816 HG22 VAL 102 HG22 VAL 102 6.485 2.590 9.594 817 HG23 VAL 102 HG23 VAL 102 7.244 1.002 9.452 818 H GLU 103 H GLU 103 4.346 3.810 9.078 819 HA GLU 103 HA GLU 103 3.652 5.739 11.223 820 HB2 GLU 103 HB2 GLU 103 6.330 5.038 10.088 821 HB3 GLU 103 HB3 GLU 103 5.953 6.749 9.969 822 HG2 GLU 103 HG2 GLU 103 5.565 5.244 12.594 823 HG3 GLU 103 HG3 GLU 103 7.144 5.764 12.060 824 H GLY 104 H GLY 104 3.307 7.925 10.316 825 HA2 GLY 104 HA2 GLY 104 2.419 9.229 8.520 826 HA3 GLY 104 HA3 GLY 104 3.053 8.038 7.514 827 H LEU 105 H LEU 105 0.478 8.298 9.950 828 HA LEU 105 HA LEU 105 -1.459 7.041 8.029 829 HB2 LEU 105 HB2 LEU 105 -1.161 6.011 10.352 830 HB3 LEU 105 HB3 LEU 105 -1.794 7.518 11.015 831 HG LEU 105 HG LEU 105 -3.872 7.132 9.516 832 HD11 LEU 105 HD11 LEU 105 -4.285 4.780 8.852 833 HD12 LEU 105 HD12 LEU 105 -2.676 4.312 9.409 834 HD13 LEU 105 HD13 LEU 105 -2.874 5.390 8.012 835 HD21 LEU 105 HD21 LEU 105 -3.812 6.797 11.975 836 HD22 LEU 105 HD22 LEU 105 -3.271 5.120 11.724 837 HD23 LEU 105 HD23 LEU 105 -4.878 5.641 11.172 838 H GLU 106 H GLU 106 -1.208 9.706 10.459 839 HA GLU 106 HA GLU 106 -3.577 10.954 9.680 840 HB2 GLU 106 HB2 GLU 106 -1.108 12.185 10.956 841 HB3 GLU 106 HB3 GLU 106 -2.722 12.903 10.960 842 HG2 GLU 106 HG2 GLU 106 -1.947 10.250 12.253 843 HG3 GLU 106 HG3 GLU 106 -2.177 11.783 13.099 844 H ASP 107 H ASP 107 -0.346 11.273 8.255 845 HA ASP 107 HA ASP 107 -0.973 13.692 6.843 846 HB2 ASP 107 HB2 ASP 107 1.290 11.747 6.790 847 HB3 ASP 107 HB3 ASP 107 0.988 12.773 5.363 848 H LEU 108 H LEU 108 -2.271 10.558 6.261 849 HA LEU 108 HA LEU 108 -2.237 10.843 3.362 850 HB2 LEU 108 HB2 LEU 108 -3.695 8.916 5.172 851 HB3 LEU 108 HB3 LEU 108 -3.942 8.974 3.456 852 HG LEU 108 HG LEU 108 -2.342 7.458 3.184 853 HD11 LEU 108 HD11 LEU 108 -0.414 9.612 4.016 854 HD12 LEU 108 HD12 LEU 108 -0.964 9.201 2.377 855 HD13 LEU 108 HD13 LEU 108 0.004 8.052 3.295 856 HD21 LEU 108 HD21 LEU 108 -2.652 6.863 5.525 857 HD22 LEU 108 HD22 LEU 108 -1.287 7.936 5.935 858 HD23 LEU 108 HD23 LEU 108 -1.069 6.510 4.869 859 H LYS 109 H LYS 109 -4.475 11.980 5.845 860 HA LYS 109 HA LYS 109 -6.726 12.177 4.080 861 HB2 LYS 109 HB2 LYS 109 -6.200 13.622 6.712 862 HB3 LYS 109 HB3 LYS 109 -7.757 13.354 5.933 863 HG2 LYS 109 HG2 LYS 109 -7.893 11.635 7.336 864 HG3 LYS 109 HG3 LYS 109 -7.027 10.774 6.094 865 HD2 LYS 109 HD2 LYS 109 -5.040 10.721 7.339 866 HD3 LYS 109 HD3 LYS 109 -5.440 12.202 8.234 867 HE2 LYS 109 HE2 LYS 109 -6.983 9.634 8.637 868 HE3 LYS 109 HE3 LYS 109 -5.514 10.023 9.558 869 HZ1 LYS 109 HZ1 LYS 109 -6.581 12.050 10.317 870 HZ2 LYS 109 HZ2 LYS 109 -7.465 10.737 10.737 871 HZ3 LYS 109 HZ3 LYS 109 -7.964 11.684 9.492 872 H LYS 110 H LYS 110 -4.003 13.902 3.726 873 HA LYS 110 HA LYS 110 -5.270 16.393 2.781 874 HB2 LYS 110 HB2 LYS 110 -3.172 17.469 3.582 875 HB3 LYS 110 HB3 LYS 110 -4.243 16.902 4.857 876 HG2 LYS 110 HG2 LYS 110 -2.807 14.873 5.095 877 HG3 LYS 110 HG3 LYS 110 -1.717 15.540 3.862 878 HD2 LYS 110 HD2 LYS 110 -2.457 16.950 6.432 879 HD3 LYS 110 HD3 LYS 110 -1.201 15.779 6.389 880 HE2 LYS 110 HE2 LYS 110 -1.045 18.087 4.452 881 HE3 LYS 110 HE3 LYS 110 -0.632 18.339 6.159 882 HZ1 LYS 110 HZ1 LYS 110 1.298 17.660 4.825 883 HZ2 LYS 110 HZ2 LYS 110 0.575 16.260 4.450 884 HZ3 LYS 110 HZ3 LYS 110 0.948 16.542 6.014 885 H ILE 111 H ILE 111 -4.250 13.668 1.647 886 HA ILE 111 HA ILE 111 -2.333 14.572 -0.399 887 HB ILE 111 HB ILE 111 -3.595 11.863 0.243 888 HG12 ILE 111 HG12 ILE 111 -2.114 12.538 2.071 889 HG13 ILE 111 HG13 ILE 111 -1.532 11.125 1.213 890 HG21 ILE 111 HG21 ILE 111 -1.667 10.923 -1.089 891 HG22 ILE 111 HG22 ILE 111 -2.930 11.747 -1.992 892 HG23 ILE 111 HG23 ILE 111 -1.369 12.586 -1.664 893 HD11 ILE 111 HD11 ILE 111 0.314 12.569 1.815 894 HD12 ILE 111 HD12 ILE 111 0.157 12.563 0.054 895 HD13 ILE 111 HD13 ILE 111 -0.448 13.942 0.985 896 H LYS 112 H LYS 112 -3.063 14.408 -2.646 897 HA LYS 112 HA LYS 112 -6.025 14.248 -3.070 898 HB2 LYS 112 HB2 LYS 112 -3.966 15.738 -4.679 899 HB3 LYS 112 HB3 LYS 112 -5.719 15.829 -4.878 900 HG2 LYS 112 HG2 LYS 112 -4.052 16.827 -2.556 901 HG3 LYS 112 HG3 LYS 112 -4.738 17.797 -3.806 902 HD2 LYS 112 HD2 LYS 112 -6.570 16.016 -2.239 903 HD3 LYS 112 HD3 LYS 112 -5.878 17.397 -1.393 904 HE2 LYS 112 HE2 LYS 112 -6.892 17.906 -4.110 905 HE3 LYS 112 HE3 LYS 112 -8.172 17.433 -2.962 906 HZ1 LYS 112 HZ1 LYS 112 -7.768 19.878 -2.990 907 HZ2 LYS 112 HZ2 LYS 112 -6.258 19.621 -2.439 908 HZ3 LYS 112 HZ3 LYS 112 -7.557 19.174 -1.516 909 H ASP 113 H ASP 113 -5.960 14.082 -5.844 910 HA ASP 113 HA ASP 113 -5.525 11.204 -6.012 911 HB2 ASP 113 HB2 ASP 113 -7.509 12.687 -6.808 912 HB3 ASP 113 HB3 ASP 113 -6.503 12.978 -8.223 913 H GLY 114 H GLY 114 -3.375 13.621 -6.352 914 HA2 GLY 114 HA2 GLY 114 -1.585 12.133 -8.044 915 HA3 GLY 114 HA3 GLY 114 -2.280 13.514 -8.901 916 H GLU 115 H GLU 115 -0.605 12.688 -5.832 917 HA GLU 115 HA GLU 115 0.981 15.194 -6.055 918 HB2 GLU 115 HB2 GLU 115 0.394 13.503 -3.582 919 HB3 GLU 115 HB3 GLU 115 1.407 14.921 -3.647 920 HG2 GLU 115 HG2 GLU 115 -0.490 16.323 -4.312 921 HG3 GLU 115 HG3 GLU 115 -1.578 14.942 -4.108 922 H LYS 116 H LYS 116 1.394 12.603 -7.334 923 HA LYS 116 HA LYS 116 3.051 11.016 -7.793 924 HB2 LYS 116 HB2 LYS 116 4.210 13.781 -7.546 925 HB3 LYS 116 HB3 LYS 116 5.342 12.459 -7.810 926 HG2 LYS 116 HG2 LYS 116 4.200 11.772 -9.854 927 HG3 LYS 116 HG3 LYS 116 2.910 12.939 -9.541 928 HD2 LYS 116 HD2 LYS 116 4.489 14.789 -9.762 929 HD3 LYS 116 HD3 LYS 116 5.875 13.700 -9.639 930 HE2 LYS 116 HE2 LYS 116 5.209 12.663 -11.825 931 HE3 LYS 116 HE3 LYS 116 4.023 13.967 -12.024 932 HZ1 LYS 116 HZ1 LYS 116 6.227 14.409 -13.029 933 HZ2 LYS 116 HZ2 LYS 116 6.911 14.378 -11.527 934 HZ3 LYS 116 HZ3 LYS 116 5.802 15.545 -11.903 935 H VAL 117 H VAL 117 3.112 9.565 -6.234 936 HA VAL 117 HA VAL 117 4.524 10.142 -3.695 937 HB VAL 117 HB VAL 117 2.485 8.830 -3.640 938 HG11 VAL 117 HG11 VAL 117 4.077 6.437 -4.655 939 HG12 VAL 117 HG12 VAL 117 2.320 6.575 -4.378 940 HG13 VAL 117 HG13 VAL 117 3.138 7.428 -5.731 941 HG21 VAL 117 HG21 VAL 117 3.152 7.278 -1.961 942 HG22 VAL 117 HG22 VAL 117 4.842 7.295 -2.508 943 HG23 VAL 117 HG23 VAL 117 4.095 8.757 -1.794 944 H ALA 118 H ALA 118 6.700 9.667 -3.499 945 HA ALA 118 HA ALA 118 8.039 7.935 -5.540 946 HB1 ALA 118 HB1 ALA 118 10.077 9.074 -4.817 947 HB2 ALA 118 HB2 ALA 118 8.886 10.221 -5.450 948 HB3 ALA 118 HB3 ALA 118 9.128 10.092 -3.690 949 H VAL 119 H VAL 119 8.091 5.972 -4.834 950 HA VAL 119 HA VAL 119 8.017 5.100 -2.052 951 HB VAL 119 HB VAL 119 8.412 3.573 -4.681 952 HG11 VAL 119 HG11 VAL 119 8.955 2.200 -2.835 953 HG12 VAL 119 HG12 VAL 119 7.461 2.660 -1.968 954 HG13 VAL 119 HG13 VAL 119 7.375 1.699 -3.455 955 HG21 VAL 119 HG21 VAL 119 5.756 4.219 -3.339 956 HG22 VAL 119 HG22 VAL 119 6.296 4.819 -4.917 957 HG23 VAL 119 HG23 VAL 119 5.974 3.114 -4.704 958 H ARG 120 H ARG 120 10.014 4.880 -0.889 959 HA ARG 120 HA ARG 120 12.473 4.080 -2.388 960 HB2 ARG 120 HB2 ARG 120 12.500 6.003 -0.057 961 HB3 ARG 120 HB3 ARG 120 13.825 5.537 -1.121 962 HG2 ARG 120 HG2 ARG 120 12.495 6.627 -3.017 963 HG3 ARG 120 HG3 ARG 120 11.431 7.319 -1.782 964 HD2 ARG 120 HD2 ARG 120 14.445 7.632 -1.813 965 HD3 ARG 120 HD3 ARG 120 13.341 8.757 -2.620 966 HE ARG 120 HE ARG 120 12.701 8.417 0.197 967 HH11 ARG 120 HH11 ARG 120 14.919 10.168 -2.007 968 HH12 ARG 120 HH12 ARG 120 15.390 11.278 -0.772 969 HH21 ARG 120 HH21 ARG 120 13.112 9.965 1.626 970 HH22 ARG 120 HH22 ARG 120 14.208 11.291 1.349 971 H PHE 121 H PHE 121 14.149 3.109 -0.638 972 HA PHE 121 HA PHE 121 12.753 1.112 0.977 973 HB2 PHE 121 HB2 PHE 121 15.637 1.782 0.342 974 HB3 PHE 121 HB3 PHE 121 15.259 0.679 1.637 975 HD1 PHE 121 HD1 PHE 121 13.688 -1.274 1.169 976 HD2 PHE 121 HD2 PHE 121 15.478 1.115 -1.865 977 HE1 PHE 121 HE1 PHE 121 13.406 -3.180 -0.431 978 HE2 PHE 121 HE2 PHE 121 15.297 -0.814 -3.517 979 HZ PHE 121 HZ PHE 121 14.245 -2.939 -2.781 980 H ALA 122 H ALA 122 13.672 4.032 1.556 981 HA ALA 122 HA ALA 122 13.633 5.527 3.453 982 HB1 ALA 122 HB1 ALA 122 11.537 4.110 3.965 983 HB2 ALA 122 HB2 ALA 122 12.553 3.232 5.098 984 HB3 ALA 122 HB3 ALA 122 12.276 4.956 5.336 985 H SER 123 H SER 123 15.990 4.210 2.868 986 HA SER 123 HA SER 123 17.408 3.386 5.264 987 HB2 SER 123 HB2 SER 123 17.893 3.605 2.378 988 HB3 SER 123 HB3 SER 123 19.278 4.035 3.323 989 HG SER 123 HG SER 123 19.410 2.099 4.147 990 H SER 124 H SER 124 16.179 5.576 6.019 991 HA SER 124 HA SER 124 16.445 7.437 7.221 992 HB2 SER 124 HB2 SER 124 19.414 7.404 6.581 993 HB3 SER 124 HB3 SER 124 18.606 8.250 7.887 994 HG SER 124 HG SER 124 19.244 5.582 7.597 Start of MODEL 14 1 H1 MET 1 H1 MET 1 10.765 -5.915 4.782 2 HA MET 1 HA MET 1 13.215 -4.307 4.342 3 HB2 MET 1 HB2 MET 1 12.744 -5.973 2.514 4 HB3 MET 1 HB3 MET 1 11.177 -5.215 2.254 5 HG2 MET 1 HG2 MET 1 12.204 -3.884 0.786 6 HG3 MET 1 HG3 MET 1 12.990 -3.067 2.130 7 HE1 MET 1 HE1 MET 1 16.474 -4.975 2.273 8 HE2 MET 1 HE2 MET 1 15.475 -3.713 3.024 9 HE3 MET 1 HE3 MET 1 15.018 -5.430 3.164 10 H ARG 2 H ARG 2 12.924 -2.292 4.960 11 HA ARG 2 HA ARG 2 10.253 -1.165 5.210 12 HB2 ARG 2 HB2 ARG 2 13.088 -0.115 5.445 13 HB3 ARG 2 HB3 ARG 2 11.700 0.967 5.578 14 HG2 ARG 2 HG2 ARG 2 11.360 -1.508 7.125 15 HG3 ARG 2 HG3 ARG 2 12.794 -0.543 7.671 16 HD2 ARG 2 HD2 ARG 2 10.732 1.293 7.427 17 HD3 ARG 2 HD3 ARG 2 9.871 -0.180 7.924 18 HE ARG 2 HE ARG 2 11.928 1.397 9.325 19 HH11 ARG 2 HH11 ARG 2 9.906 -1.566 9.547 20 HH12 ARG 2 HH12 ARG 2 9.630 -1.396 11.235 21 HH21 ARG 2 HH21 ARG 2 11.354 1.699 11.555 22 HH22 ARG 2 HH22 ARG 2 10.350 0.585 12.396 23 H VAL 3 H VAL 3 9.620 0.616 4.271 24 HA VAL 3 HA VAL 3 10.623 1.465 1.622 25 HB VAL 3 HB VAL 3 7.938 0.062 1.981 26 HG11 VAL 3 HG11 VAL 3 7.468 2.123 0.712 27 HG12 VAL 3 HG12 VAL 3 8.749 1.690 -0.440 28 HG13 VAL 3 HG13 VAL 3 7.295 0.683 -0.280 29 HG21 VAL 3 HG21 VAL 3 8.789 -1.070 -0.193 30 HG22 VAL 3 HG22 VAL 3 10.358 -0.335 0.171 31 HG23 VAL 3 HG23 VAL 3 9.622 -1.494 1.304 32 H GLU 4 H GLU 4 9.985 3.613 1.078 33 HA GLU 4 HA GLU 4 8.577 5.237 3.175 34 HB2 GLU 4 HB2 GLU 4 11.014 5.489 3.330 35 HB3 GLU 4 HB3 GLU 4 11.167 5.589 1.576 36 HG2 GLU 4 HG2 GLU 4 9.843 7.812 1.784 37 HG3 GLU 4 HG3 GLU 4 10.073 7.604 3.533 38 H LEU 5 H LEU 5 6.983 6.445 2.287 39 HA LEU 5 HA LEU 5 6.857 6.902 -0.621 40 HB2 LEU 5 HB2 LEU 5 4.769 6.661 1.615 41 HB3 LEU 5 HB3 LEU 5 4.440 7.374 0.038 42 HG LEU 5 HG LEU 5 5.150 5.315 -1.068 43 HD11 LEU 5 HD11 LEU 5 6.533 4.122 0.421 44 HD12 LEU 5 HD12 LEU 5 5.115 3.146 0.180 45 HD13 LEU 5 HD13 LEU 5 5.282 4.084 1.691 46 HD21 LEU 5 HD21 LEU 5 2.894 4.896 0.943 47 HD22 LEU 5 HD22 LEU 5 3.091 4.022 -0.598 48 HD23 LEU 5 HD23 LEU 5 2.732 5.751 -0.599 49 H LEU 6 H LEU 6 7.381 8.904 -1.187 50 HA LEU 6 HA LEU 6 6.951 11.244 0.691 51 HB2 LEU 6 HB2 LEU 6 9.118 10.384 -1.231 52 HB3 LEU 6 HB3 LEU 6 8.553 12.015 -1.496 53 HG LEU 6 HG LEU 6 9.289 11.138 1.309 54 HD11 LEU 6 HD11 LEU 6 11.598 11.835 0.937 55 HD12 LEU 6 HD12 LEU 6 11.258 12.175 -0.775 56 HD13 LEU 6 HD13 LEU 6 11.197 10.509 -0.149 57 HD21 LEU 6 HD21 LEU 6 9.529 13.827 -0.131 58 HD22 LEU 6 HD22 LEU 6 9.745 13.522 1.605 59 HD23 LEU 6 HD23 LEU 6 8.147 13.359 0.859 60 H PHE 7 H PHE 7 5.552 12.738 -0.024 61 HA PHE 7 HA PHE 7 4.469 12.492 -2.784 62 HB2 PHE 7 HB2 PHE 7 2.825 13.266 -0.386 63 HB3 PHE 7 HB3 PHE 7 2.319 12.820 -2.005 64 HD1 PHE 7 HD1 PHE 7 3.598 11.517 1.206 65 HD2 PHE 7 HD2 PHE 7 1.681 10.753 -2.478 66 HE1 PHE 7 HE1 PHE 7 3.128 9.267 2.041 67 HE2 PHE 7 HE2 PHE 7 1.097 8.421 -1.699 68 HZ PHE 7 HZ PHE 7 1.920 7.632 0.530 69 H GLU 8 H GLU 8 2.885 14.602 -2.880 70 HA GLU 8 HA GLU 8 4.672 16.936 -2.778 71 HB2 GLU 8 HB2 GLU 8 1.797 16.509 -3.659 72 HB3 GLU 8 HB3 GLU 8 2.648 18.025 -3.835 73 HG2 GLU 8 HG2 GLU 8 3.891 15.552 -5.061 74 HG3 GLU 8 HG3 GLU 8 2.526 16.272 -5.864 75 H SER 9 H SER 9 1.711 15.700 -1.157 76 HA SER 9 HA SER 9 1.438 18.138 0.444 77 HB2 SER 9 HB2 SER 9 -0.238 15.643 0.518 78 HB3 SER 9 HB3 SER 9 -0.674 17.236 1.115 79 HG SER 9 HG SER 9 -0.983 16.174 -1.312 80 H GLY 10 H GLY 10 2.963 15.019 0.825 81 HA2 GLY 10 HA2 GLY 10 3.712 15.451 3.556 82 HA3 GLY 10 HA3 GLY 10 2.378 14.284 3.411 83 H LYS 11 H LYS 11 3.851 12.769 4.348 84 HA LYS 11 HA LYS 11 5.180 11.159 2.443 85 HB2 LYS 11 HB2 LYS 11 7.453 11.251 3.204 86 HB3 LYS 11 HB3 LYS 11 6.972 12.852 2.708 87 HG2 LYS 11 HG2 LYS 11 6.614 13.533 5.043 88 HG3 LYS 11 HG3 LYS 11 7.083 11.911 5.598 89 HD2 LYS 11 HD2 LYS 11 9.322 12.207 4.561 90 HD3 LYS 11 HD3 LYS 11 8.851 13.828 4.015 91 HE2 LYS 11 HE2 LYS 11 10.183 13.965 6.060 92 HE3 LYS 11 HE3 LYS 11 8.543 14.566 6.339 93 HZ1 LYS 11 HZ1 LYS 11 9.420 13.037 8.100 94 HZ2 LYS 11 HZ2 LYS 11 9.418 11.818 7.023 95 HZ3 LYS 11 HZ3 LYS 11 8.009 12.517 7.459 96 H CYS 12 H CYS 12 5.484 9.094 3.300 97 HA CYS 12 HA CYS 12 4.990 8.529 6.163 98 HB2 CYS 12 HB2 CYS 12 3.251 7.325 4.007 99 HB3 CYS 12 HB3 CYS 12 3.171 6.959 5.685 100 HG CYS 12 HG CYS 12 2.982 10.039 5.660 101 H VAL 13 H VAL 13 5.042 5.863 6.393 102 HA VAL 13 HA VAL 13 7.150 4.795 4.657 103 HB VAL 13 HB VAL 13 7.563 4.879 7.635 104 HG11 VAL 13 HG11 VAL 13 9.890 4.540 7.070 105 HG12 VAL 13 HG12 VAL 13 8.972 3.465 6.024 106 HG13 VAL 13 HG13 VAL 13 9.611 4.965 5.361 107 HG21 VAL 13 HG21 VAL 13 9.125 6.795 7.446 108 HG22 VAL 13 HG22 VAL 13 8.588 7.058 5.778 109 HG23 VAL 13 HG23 VAL 13 7.463 7.285 7.150 110 H ILE 14 H ILE 14 6.979 2.574 4.563 111 HA ILE 14 HA ILE 14 5.042 1.202 6.365 112 HB ILE 14 HB ILE 14 3.932 0.275 4.496 113 HG12 ILE 14 HG12 ILE 14 5.870 1.762 2.651 114 HG13 ILE 14 HG13 ILE 14 5.678 0.022 2.866 115 HG21 ILE 14 HG21 ILE 14 4.040 3.274 3.862 116 HG22 ILE 14 HG22 ILE 14 2.659 2.179 3.676 117 HG23 ILE 14 HG23 ILE 14 3.242 2.607 5.277 118 HD11 ILE 14 HD11 ILE 14 3.728 1.917 1.550 119 HD12 ILE 14 HD12 ILE 14 4.638 0.572 0.835 120 HD13 ILE 14 HD13 ILE 14 3.336 0.263 2.016 121 H ASP 15 H ASP 15 5.380 -0.825 6.744 122 HA ASP 15 HA ASP 15 8.189 -1.776 6.288 123 HB2 ASP 15 HB2 ASP 15 7.387 -1.184 8.540 124 HB3 ASP 15 HB3 ASP 15 6.038 -2.348 8.395 125 H LEU 16 H LEU 16 8.400 -3.550 4.834 126 HA LEU 16 HA LEU 16 5.949 -5.163 4.289 127 HB2 LEU 16 HB2 LEU 16 8.126 -4.320 2.417 128 HB3 LEU 16 HB3 LEU 16 6.870 -5.462 1.993 129 HG LEU 16 HG LEU 16 6.400 -2.536 2.683 130 HD11 LEU 16 HD11 LEU 16 6.183 -2.189 0.296 131 HD12 LEU 16 HD12 LEU 16 6.449 -3.947 -0.005 132 HD13 LEU 16 HD13 LEU 16 7.757 -2.933 0.624 133 HD21 LEU 16 HD21 LEU 16 4.403 -4.037 1.056 134 HD22 LEU 16 HD22 LEU 16 4.174 -2.872 2.388 135 HD23 LEU 16 HD23 LEU 16 4.534 -4.570 2.720 136 H ASN 17 H ASN 17 6.157 -7.305 4.446 137 HA ASN 17 HA ASN 17 8.661 -8.156 5.641 138 HB2 ASN 17 HB2 ASN 17 6.287 -8.776 6.451 139 HB3 ASN 17 HB3 ASN 17 6.312 -9.995 5.165 140 HD21 ASN 17 HD21 ASN 17 6.124 -11.553 7.192 141 HD22 ASN 17 HD22 ASN 17 7.619 -11.807 8.047 142 H GLU 18 H GLU 18 10.267 -9.349 4.744 143 HA GLU 18 HA GLU 18 10.226 -9.988 1.898 144 HB2 GLU 18 HB2 GLU 18 12.295 -10.116 4.111 145 HB3 GLU 18 HB3 GLU 18 12.627 -10.771 2.513 146 HG2 GLU 18 HG2 GLU 18 11.933 -8.528 1.534 147 HG3 GLU 18 HG3 GLU 18 11.943 -7.918 3.198 148 H GLU 19 H GLU 19 8.311 -11.613 3.331 149 HA GLU 19 HA GLU 19 9.536 -14.315 2.909 150 HB2 GLU 19 HB2 GLU 19 7.908 -15.278 4.318 151 HB3 GLU 19 HB3 GLU 19 8.751 -13.982 5.170 152 HG2 GLU 19 HG2 GLU 19 6.784 -12.470 4.675 153 HG3 GLU 19 HG3 GLU 19 5.953 -13.870 4.002 154 H TYR 20 H TYR 20 7.615 -11.967 1.448 155 HA TYR 20 HA TYR 20 5.846 -13.871 0.018 156 HB2 TYR 20 HB2 TYR 20 5.739 -10.862 0.307 157 HB3 TYR 20 HB3 TYR 20 4.528 -11.885 -0.453 158 HD1 TYR 20 HD1 TYR 20 3.680 -13.934 1.082 159 HD2 TYR 20 HD2 TYR 20 5.282 -10.186 2.533 160 HE1 TYR 20 HE1 TYR 20 2.682 -14.358 3.326 161 HE2 TYR 20 HE2 TYR 20 4.241 -10.615 4.743 162 HH TYR 20 HH TYR 20 3.700 -13.032 5.969 163 H GLU 21 H GLU 21 5.712 -14.015 -2.138 164 HA GLU 21 HA GLU 21 7.940 -13.554 -3.763 165 HB2 GLU 21 HB2 GLU 21 5.968 -15.134 -4.193 166 HB3 GLU 21 HB3 GLU 21 5.083 -13.735 -4.778 167 HG2 GLU 21 HG2 GLU 21 6.089 -14.661 -6.727 168 HG3 GLU 21 HG3 GLU 21 7.025 -13.252 -6.360 169 H VAL 22 H VAL 22 4.867 -11.789 -3.873 170 HA VAL 22 HA VAL 22 5.476 -9.643 -5.406 171 HB VAL 22 HB VAL 22 3.295 -10.165 -4.561 172 HG11 VAL 22 HG11 VAL 22 4.200 -9.349 -1.800 173 HG12 VAL 22 HG12 VAL 22 2.521 -9.656 -2.309 174 HG13 VAL 22 HG13 VAL 22 3.688 -10.962 -2.346 175 HG21 VAL 22 HG21 VAL 22 2.464 -7.932 -4.030 176 HG22 VAL 22 HG22 VAL 22 4.104 -7.366 -3.703 177 HG23 VAL 22 HG23 VAL 22 3.654 -7.897 -5.341 178 H VAL 23 H VAL 23 6.693 -9.919 -2.009 179 HA VAL 23 HA VAL 23 7.610 -7.159 -2.074 180 HB VAL 23 HB VAL 23 8.176 -9.456 -0.156 181 HG11 VAL 23 HG11 VAL 23 9.080 -7.765 1.387 182 HG12 VAL 23 HG12 VAL 23 10.068 -7.843 -0.072 183 HG13 VAL 23 HG13 VAL 23 8.909 -6.507 0.152 184 HG21 VAL 23 HG21 VAL 23 5.844 -8.640 -0.120 185 HG22 VAL 23 HG22 VAL 23 6.673 -8.084 1.329 186 HG23 VAL 23 HG23 VAL 23 6.403 -6.962 -0.017 187 H LYS 24 H LYS 24 9.175 -10.390 -2.579 188 HA LYS 24 HA LYS 24 11.769 -9.458 -3.161 189 HB2 LYS 24 HB2 LYS 24 10.270 -11.808 -4.408 190 HB3 LYS 24 HB3 LYS 24 12.016 -11.611 -4.362 191 HG2 LYS 24 HG2 LYS 24 12.134 -12.012 -2.042 192 HG3 LYS 24 HG3 LYS 24 10.422 -11.737 -1.775 193 HD2 LYS 24 HD2 LYS 24 9.896 -13.732 -3.191 194 HD3 LYS 24 HD3 LYS 24 11.611 -14.104 -3.277 195 HE2 LYS 24 HE2 LYS 24 10.208 -13.653 -0.608 196 HE3 LYS 24 HE3 LYS 24 10.047 -15.204 -1.450 197 HZ1 LYS 24 HZ1 LYS 24 12.381 -15.476 -1.412 198 HZ2 LYS 24 HZ2 LYS 24 11.818 -15.220 0.115 199 HZ3 LYS 24 HZ3 LYS 24 12.626 -14.016 -0.654 200 H LEU 25 H LEU 25 8.878 -9.709 -5.170 201 HA LEU 25 HA LEU 25 10.221 -9.131 -7.682 202 HB2 LEU 25 HB2 LEU 25 7.321 -9.155 -6.752 203 HB3 LEU 25 HB3 LEU 25 7.757 -8.642 -8.376 204 HG LEU 25 HG LEU 25 8.545 -11.395 -7.300 205 HD11 LEU 25 HD11 LEU 25 6.103 -11.188 -7.258 206 HD12 LEU 25 HD12 LEU 25 6.611 -12.240 -8.589 207 HD13 LEU 25 HD13 LEU 25 6.117 -10.565 -8.930 208 HD21 LEU 25 HD21 LEU 25 9.747 -10.430 -9.342 209 HD22 LEU 25 HD22 LEU 25 8.168 -10.312 -10.130 210 HD23 LEU 25 HD23 LEU 25 8.824 -11.911 -9.666 211 H LEU 26 H LEU 26 8.465 -7.236 -5.225 212 HA LEU 26 HA LEU 26 8.505 -4.789 -6.658 213 HB2 LEU 26 HB2 LEU 26 7.678 -5.702 -4.022 214 HB3 LEU 26 HB3 LEU 26 8.685 -4.318 -3.810 215 HG LEU 26 HG LEU 26 6.141 -4.495 -5.470 216 HD11 LEU 26 HD11 LEU 26 6.836 -2.952 -2.948 217 HD12 LEU 26 HD12 LEU 26 5.825 -4.416 -3.059 218 HD13 LEU 26 HD13 LEU 26 5.285 -2.916 -3.834 219 HD21 LEU 26 HD21 LEU 26 7.661 -2.850 -6.599 220 HD22 LEU 26 HD22 LEU 26 7.898 -2.029 -5.059 221 HD23 LEU 26 HD23 LEU 26 6.298 -2.051 -5.828 222 H LYS 27 H LYS 27 10.979 -6.347 -4.642 223 HA LYS 27 HA LYS 27 12.519 -4.024 -4.093 224 HB2 LYS 27 HB2 LYS 27 13.061 -5.965 -2.893 225 HB3 LYS 27 HB3 LYS 27 13.166 -6.979 -4.320 226 HG2 LYS 27 HG2 LYS 27 15.144 -4.714 -3.975 227 HG3 LYS 27 HG3 LYS 27 15.353 -6.197 -3.052 228 HD2 LYS 27 HD2 LYS 27 15.594 -7.541 -4.970 229 HD3 LYS 27 HD3 LYS 27 14.936 -6.372 -6.054 230 HE2 LYS 27 HE2 LYS 27 16.961 -5.791 -6.630 231 HE3 LYS 27 HE3 LYS 27 17.092 -4.961 -5.078 232 HZ1 LYS 27 HZ1 LYS 27 18.915 -6.491 -5.578 233 HZ2 LYS 27 HZ2 LYS 27 17.878 -7.766 -5.593 234 HZ3 LYS 27 HZ3 LYS 27 18.155 -6.955 -4.190 235 H GLU 28 H GLU 28 12.182 -5.951 -7.017 236 HA GLU 28 HA GLU 28 14.493 -4.941 -8.356 237 HB2 GLU 28 HB2 GLU 28 12.000 -6.171 -9.521 238 HB3 GLU 28 HB3 GLU 28 13.558 -6.013 -10.328 239 HG2 GLU 28 HG2 GLU 28 13.119 -7.647 -7.765 240 HG3 GLU 28 HG3 GLU 28 13.008 -8.261 -9.375 241 H LYS 29 H LYS 29 11.539 -3.505 -7.591 242 HA LYS 29 HA LYS 29 11.644 -1.502 -9.780 243 HB2 LYS 29 HB2 LYS 29 9.176 -2.590 -8.355 244 HB3 LYS 29 HB3 LYS 29 9.257 -1.419 -9.664 245 HG2 LYS 29 HG2 LYS 29 9.792 -4.400 -9.869 246 HG3 LYS 29 HG3 LYS 29 8.428 -3.496 -10.533 247 HD2 LYS 29 HD2 LYS 29 10.357 -2.103 -11.755 248 HD3 LYS 29 HD3 LYS 29 11.278 -3.580 -11.393 249 HE2 LYS 29 HE2 LYS 29 9.620 -4.930 -12.617 250 HE3 LYS 29 HE3 LYS 29 8.692 -3.472 -13.001 251 HZ1 LYS 29 HZ1 LYS 29 10.132 -2.935 -14.600 252 HZ2 LYS 29 HZ2 LYS 29 10.676 -4.516 -14.472 253 HZ3 LYS 29 HZ3 LYS 29 11.477 -3.332 -13.688 254 H ILE 30 H ILE 30 12.938 -1.348 -7.014 255 HA ILE 30 HA ILE 30 11.426 1.043 -6.160 256 HB ILE 30 HB ILE 30 12.539 -1.075 -4.340 257 HG12 ILE 30 HG12 ILE 30 9.762 0.179 -4.285 258 HG13 ILE 30 HG13 ILE 30 10.118 -1.231 -5.245 259 HG21 ILE 30 HG21 ILE 30 12.099 0.366 -2.423 260 HG22 ILE 30 HG22 ILE 30 13.138 1.265 -3.508 261 HG23 ILE 30 HG23 ILE 30 11.399 1.624 -3.455 262 HD11 ILE 30 HD11 ILE 30 9.171 -1.932 -3.116 263 HD12 ILE 30 HD12 ILE 30 10.860 -2.462 -3.208 264 HD13 ILE 30 HD13 ILE 30 10.411 -1.057 -2.218 265 HA PRO 31 HA PRO 31 11.943 2.943 -5.137 266 HB2 PRO 31 HB2 PRO 31 12.706 5.415 -6.072 267 HB3 PRO 31 HB3 PRO 31 13.241 4.707 -4.533 268 HG2 PRO 31 HG2 PRO 31 14.761 4.820 -7.103 269 HG3 PRO 31 HG3 PRO 31 15.316 5.068 -5.403 270 HD2 PRO 31 HD2 PRO 31 15.618 2.685 -6.813 271 HD3 PRO 31 HD3 PRO 31 15.482 2.776 -5.033 272 H PHE 32 H PHE 32 10.276 4.256 -6.319 273 HA PHE 32 HA PHE 32 10.435 4.403 -9.135 274 HB2 PHE 32 HB2 PHE 32 8.579 3.159 -9.845 275 HB3 PHE 32 HB3 PHE 32 9.627 2.079 -8.988 276 HD1 PHE 32 HD1 PHE 32 8.959 1.511 -6.523 277 HD2 PHE 32 HD2 PHE 32 6.308 3.327 -9.368 278 HE1 PHE 32 HE1 PHE 32 7.038 0.363 -5.451 279 HE2 PHE 32 HE2 PHE 32 4.352 2.286 -8.223 280 HZ PHE 32 HZ PHE 32 4.746 0.742 -6.289 281 H GLU 33 H GLU 33 8.300 5.587 -9.980 282 HA GLU 33 HA GLU 33 7.058 7.129 -7.759 283 HB2 GLU 33 HB2 GLU 33 7.881 8.131 -10.478 284 HB3 GLU 33 HB3 GLU 33 6.906 9.050 -9.341 285 HG2 GLU 33 HG2 GLU 33 8.762 9.208 -7.806 286 HG3 GLU 33 HG3 GLU 33 9.749 8.112 -8.778 287 H SER 34 H SER 34 4.833 7.757 -8.225 288 HA SER 34 HA SER 34 3.548 6.739 -10.614 289 HB2 SER 34 HB2 SER 34 3.994 4.767 -8.829 290 HB3 SER 34 HB3 SER 34 2.530 5.445 -8.116 291 HG SER 34 HG SER 34 2.975 4.614 -10.809 292 H VAL 35 H VAL 35 1.093 6.835 -10.347 293 HA VAL 35 HA VAL 35 0.415 9.535 -9.465 294 HB VAL 35 HB VAL 35 -1.305 7.377 -10.781 295 HG11 VAL 35 HG11 VAL 35 -2.651 9.169 -9.746 296 HG12 VAL 35 HG12 VAL 35 -1.687 10.403 -10.592 297 HG13 VAL 35 HG13 VAL 35 -2.717 9.281 -11.504 298 HG21 VAL 35 HG21 VAL 35 0.311 9.622 -12.066 299 HG22 VAL 35 HG22 VAL 35 0.579 7.876 -12.239 300 HG23 VAL 35 HG23 VAL 35 -0.881 8.602 -12.903 301 H VAL 36 H VAL 36 -0.603 9.985 -7.507 302 HA VAL 36 HA VAL 36 -1.369 7.805 -5.856 303 HB VAL 36 HB VAL 36 -1.587 10.822 -5.359 304 HG11 VAL 36 HG11 VAL 36 -2.919 9.378 -3.797 305 HG12 VAL 36 HG12 VAL 36 -1.324 8.702 -3.293 306 HG13 VAL 36 HG13 VAL 36 -1.673 10.418 -3.104 307 HG21 VAL 36 HG21 VAL 36 0.450 10.540 -4.073 308 HG22 VAL 36 HG22 VAL 36 0.524 8.830 -4.540 309 HG23 VAL 36 HG23 VAL 36 0.774 10.126 -5.755 310 H ASN 37 H ASN 37 -3.153 6.971 -7.270 311 HA ASN 37 HA ASN 37 -5.527 8.700 -7.694 312 HB2 ASN 37 HB2 ASN 37 -5.379 5.663 -7.680 313 HB3 ASN 37 HB3 ASN 37 -6.653 6.662 -8.367 314 HD21 ASN 37 HD21 ASN 37 -3.463 5.343 -8.808 315 HD22 ASN 37 HD22 ASN 37 -3.362 5.629 -10.535 316 H THR 38 H THR 38 -7.541 8.291 -6.522 317 HA THR 38 HA THR 38 -7.251 6.936 -3.918 318 HB THR 38 HB THR 38 -8.454 8.901 -2.887 319 HG1 THR 38 HG1 THR 38 -8.040 9.942 -5.483 320 HG21 THR 38 HG21 THR 38 -6.027 8.660 -2.681 321 HG22 THR 38 HG22 THR 38 -6.567 10.334 -2.567 322 HG23 THR 38 HG23 THR 38 -5.778 9.748 -4.054 323 H TRP 39 H TRP 39 -9.418 6.565 -2.826 324 HA TRP 39 HA TRP 39 -11.855 6.754 -4.442 325 HB2 TRP 39 HB2 TRP 39 -10.881 4.941 -5.590 326 HB3 TRP 39 HB3 TRP 39 -10.265 4.213 -4.108 327 HD1 TRP 39 HD1 TRP 39 -13.541 4.645 -6.026 328 HE1 TRP 39 HE1 TRP 39 -15.066 2.698 -5.408 329 HE3 TRP 39 HE3 TRP 39 -10.800 2.686 -2.224 330 HZ2 TRP 39 HZ2 TRP 39 -15.028 0.449 -3.536 331 HZ3 TRP 39 HZ3 TRP 39 -11.471 0.603 -1.090 332 HH2 TRP 39 HH2 TRP 39 -13.489 -0.619 -1.808 333 H GLY 40 H GLY 40 -12.868 7.709 -2.617 334 HA2 GLY 40 HA2 GLY 40 -13.870 7.757 -0.517 335 HA3 GLY 40 HA3 GLY 40 -14.209 6.087 -0.997 336 H GLU 41 H GLU 41 -11.552 8.006 0.582 337 HA GLU 41 HA GLU 41 -9.828 7.490 1.755 338 HB2 GLU 41 HB2 GLU 41 -11.297 7.531 3.594 339 HB3 GLU 41 HB3 GLU 41 -11.860 5.895 3.339 340 HG2 GLU 41 HG2 GLU 41 -8.901 6.421 3.702 341 HG3 GLU 41 HG3 GLU 41 -10.005 6.599 5.048 342 H GLU 42 H GLU 42 -8.930 6.687 -0.228 343 HA GLU 42 HA GLU 42 -7.401 4.495 0.618 344 HB2 GLU 42 HB2 GLU 42 -9.300 3.223 -0.637 345 HB3 GLU 42 HB3 GLU 42 -8.990 4.272 -2.022 346 HG2 GLU 42 HG2 GLU 42 -6.738 3.238 -2.292 347 HG3 GLU 42 HG3 GLU 42 -7.118 2.135 -0.955 348 H ILE 43 H ILE 43 -5.509 4.543 -0.362 349 HA ILE 43 HA ILE 43 -5.166 6.432 -2.631 350 HB ILE 43 HB ILE 43 -3.507 6.112 -0.101 351 HG12 ILE 43 HG12 ILE 43 -4.423 8.728 -1.353 352 HG13 ILE 43 HG13 ILE 43 -5.516 7.834 -0.274 353 HG21 ILE 43 HG21 ILE 43 -1.993 6.112 -1.954 354 HG22 ILE 43 HG22 ILE 43 -2.903 7.449 -2.713 355 HG23 ILE 43 HG23 ILE 43 -1.910 7.725 -1.263 356 HD11 ILE 43 HD11 ILE 43 -2.789 8.903 0.311 357 HD12 ILE 43 HD12 ILE 43 -4.345 9.423 1.005 358 HD13 ILE 43 HD13 ILE 43 -3.738 7.795 1.410 359 H TYR 44 H TYR 44 -4.535 5.249 -4.378 360 HA TYR 44 HA TYR 44 -2.882 2.832 -3.912 361 HB2 TYR 44 HB2 TYR 44 -3.997 1.672 -5.687 362 HB3 TYR 44 HB3 TYR 44 -5.064 1.947 -4.315 363 HD1 TYR 44 HD1 TYR 44 -6.707 4.039 -4.525 364 HD2 TYR 44 HD2 TYR 44 -4.780 2.136 -7.882 365 HE1 TYR 44 HE1 TYR 44 -8.455 4.905 -6.016 366 HE2 TYR 44 HE2 TYR 44 -6.554 3.001 -9.381 367 HH TYR 44 HH TYR 44 -8.702 4.067 -9.458 368 H PHE 45 H PHE 45 -1.496 2.315 -5.732 369 HA PHE 45 HA PHE 45 -1.259 4.375 -7.838 370 HB2 PHE 45 HB2 PHE 45 1.266 3.900 -7.634 371 HB3 PHE 45 HB3 PHE 45 0.522 5.154 -6.654 372 HD1 PHE 45 HD1 PHE 45 -0.051 4.524 -4.259 373 HD2 PHE 45 HD2 PHE 45 2.576 2.150 -6.637 374 HE1 PHE 45 HE1 PHE 45 1.043 3.718 -2.164 375 HE2 PHE 45 HE2 PHE 45 3.745 1.385 -4.531 376 HZ PHE 45 HZ PHE 45 3.013 2.228 -2.333 377 H SER 46 H SER 46 -0.394 3.574 -9.743 378 HA SER 46 HA SER 46 -0.817 0.796 -10.377 379 HB2 SER 46 HB2 SER 46 0.254 1.680 -12.559 380 HB3 SER 46 HB3 SER 46 -1.275 2.401 -12.040 381 HG SER 46 HG SER 46 1.104 3.577 -11.133 382 H THR 47 H THR 47 0.657 -0.468 -9.063 383 HA THR 47 HA THR 47 3.448 0.180 -9.003 384 HB THR 47 HB THR 47 3.854 -2.052 -8.220 385 HG1 THR 47 HG1 THR 47 1.272 -2.548 -9.222 386 HG21 THR 47 HG21 THR 47 2.844 -0.388 -6.639 387 HG22 THR 47 HG22 THR 47 2.491 -2.083 -6.223 388 HG23 THR 47 HG23 THR 47 1.239 -1.072 -6.982 389 HA PRO 48 HA PRO 48 4.602 -1.360 -13.023 390 HB2 PRO 48 HB2 PRO 48 7.288 -1.411 -12.727 391 HB3 PRO 48 HB3 PRO 48 6.379 0.132 -12.713 392 HG2 PRO 48 HG2 PRO 48 7.275 -1.537 -10.346 393 HG3 PRO 48 HG3 PRO 48 7.581 0.218 -10.611 394 HD2 PRO 48 HD2 PRO 48 5.552 -0.733 -9.085 395 HD3 PRO 48 HD3 PRO 48 5.337 0.718 -10.099 396 H VAL 49 H VAL 49 4.648 -3.130 -10.156 397 HA VAL 49 HA VAL 49 5.940 -5.574 -11.124 398 HB VAL 49 HB VAL 49 4.320 -4.875 -8.630 399 HG11 VAL 49 HG11 VAL 49 4.095 -7.267 -8.891 400 HG12 VAL 49 HG12 VAL 49 5.837 -7.449 -9.238 401 HG13 VAL 49 HG13 VAL 49 5.266 -6.968 -7.622 402 HG21 VAL 49 HG21 VAL 49 7.313 -5.278 -9.085 403 HG22 VAL 49 HG22 VAL 49 6.497 -3.752 -8.652 404 HG23 VAL 49 HG23 VAL 49 6.531 -5.097 -7.508 405 H ASN 50 H ASN 50 4.730 -7.602 -11.229 406 HA ASN 50 HA ASN 50 1.854 -7.393 -11.514 407 HB2 ASN 50 HB2 ASN 50 2.830 -6.853 -13.780 408 HB3 ASN 50 HB3 ASN 50 3.526 -8.461 -13.805 409 HD21 ASN 50 HD21 ASN 50 1.402 -7.148 -15.570 410 HD22 ASN 50 HD22 ASN 50 0.040 -8.245 -15.474 411 H VAL 51 H VAL 51 1.420 -8.858 -9.886 412 HA VAL 51 HA VAL 51 1.984 -11.662 -10.246 413 HB VAL 51 HB VAL 51 4.016 -10.995 -8.964 414 HG11 VAL 51 HG11 VAL 51 3.191 -9.007 -7.785 415 HG12 VAL 51 HG12 VAL 51 2.227 -10.061 -6.731 416 HG13 VAL 51 HG13 VAL 51 3.998 -10.207 -6.764 417 HG21 VAL 51 HG21 VAL 51 2.242 -12.485 -7.060 418 HG22 VAL 51 HG22 VAL 51 3.016 -13.219 -8.503 419 HG23 VAL 51 HG23 VAL 51 3.997 -12.538 -7.201 420 H GLN 52 H GLN 52 0.442 -12.948 -8.908 421 HA GLN 52 HA GLN 52 -1.631 -11.338 -7.524 422 HB2 GLN 52 HB2 GLN 52 -2.126 -13.608 -9.464 423 HB3 GLN 52 HB3 GLN 52 -3.339 -12.770 -8.496 424 HG2 GLN 52 HG2 GLN 52 -2.165 -10.683 -9.891 425 HG3 GLN 52 HG3 GLN 52 -2.040 -12.015 -11.014 426 HE21 GLN 52 HE21 GLN 52 -4.922 -11.699 -8.791 427 HE22 GLN 52 HE22 GLN 52 -5.971 -11.245 -10.101 428 H LYS 53 H LYS 53 0.697 -13.280 -6.772 429 HA LYS 53 HA LYS 53 -0.529 -15.437 -5.314 430 HB2 LYS 53 HB2 LYS 53 1.738 -15.529 -6.182 431 HB3 LYS 53 HB3 LYS 53 2.237 -14.122 -5.251 432 HG2 LYS 53 HG2 LYS 53 2.533 -15.282 -3.336 433 HG3 LYS 53 HG3 LYS 53 1.102 -16.273 -3.562 434 HD2 LYS 53 HD2 LYS 53 2.492 -17.503 -5.412 435 HD3 LYS 53 HD3 LYS 53 3.896 -16.721 -4.645 436 HE2 LYS 53 HE2 LYS 53 3.021 -17.674 -2.432 437 HE3 LYS 53 HE3 LYS 53 1.805 -18.553 -3.378 438 HZ1 LYS 53 HZ1 LYS 53 3.680 -19.917 -2.912 439 HZ2 LYS 53 HZ2 LYS 53 4.724 -18.823 -3.536 440 HZ3 LYS 53 HZ3 LYS 53 3.679 -19.627 -4.553 441 H MET 54 H MET 54 -1.526 -15.345 -3.236 442 HA MET 54 HA MET 54 -0.637 -13.294 -1.377 443 HB2 MET 54 HB2 MET 54 -2.906 -13.093 -0.501 444 HB3 MET 54 HB3 MET 54 -2.734 -12.417 -2.118 445 HG2 MET 54 HG2 MET 54 -3.909 -15.154 -1.541 446 HG3 MET 54 HG3 MET 54 -4.832 -13.662 -1.627 447 HE1 MET 54 HE1 MET 54 -5.430 -16.301 -3.284 448 HE2 MET 54 HE2 MET 54 -4.746 -16.371 -4.924 449 HE3 MET 54 HE3 MET 54 -3.709 -16.684 -3.512 450 H GLU 55 H GLU 55 -0.465 -13.989 0.696 451 HA GLU 55 HA GLU 55 -0.756 -16.930 1.194 452 HB2 GLU 55 HB2 GLU 55 1.548 -15.002 1.342 453 HB3 GLU 55 HB3 GLU 55 1.482 -16.313 2.515 454 HG2 GLU 55 HG2 GLU 55 1.224 -16.840 -0.474 455 HG3 GLU 55 HG3 GLU 55 2.780 -16.710 0.323 456 H ASN 56 H ASN 56 -0.850 -13.622 2.670 457 HA ASN 56 HA ASN 56 -2.267 -14.893 4.959 458 HB2 ASN 56 HB2 ASN 56 -0.052 -14.005 5.643 459 HB3 ASN 56 HB3 ASN 56 -0.539 -12.432 5.040 460 HD21 ASN 56 HD21 ASN 56 -2.404 -11.346 6.183 461 HD22 ASN 56 HD22 ASN 56 -2.561 -11.690 7.896 462 HA PRO 57 HA PRO 57 -4.736 -11.897 2.400 463 HB2 PRO 57 HB2 PRO 57 -6.717 -13.476 1.365 464 HB3 PRO 57 HB3 PRO 57 -5.099 -13.369 0.629 465 HG2 PRO 57 HG2 PRO 57 -6.049 -15.449 2.634 466 HG3 PRO 57 HG3 PRO 57 -5.312 -15.747 1.028 467 HD2 PRO 57 HD2 PRO 57 -3.806 -15.766 3.253 468 HD3 PRO 57 HD3 PRO 57 -3.229 -14.963 1.743 469 H ARG 58 H ARG 58 -6.672 -10.905 2.888 470 HA ARG 58 HA ARG 58 -8.428 -11.974 5.009 471 HB2 ARG 58 HB2 ARG 58 -7.110 -9.224 5.230 472 HB3 ARG 58 HB3 ARG 58 -8.287 -9.915 6.321 473 HG2 ARG 58 HG2 ARG 58 -5.516 -11.123 5.934 474 HG3 ARG 58 HG3 ARG 58 -5.893 -9.900 7.135 475 HD2 ARG 58 HD2 ARG 58 -7.695 -11.375 8.058 476 HD3 ARG 58 HD3 ARG 58 -7.219 -12.641 6.925 477 HE ARG 58 HE ARG 58 -5.751 -11.612 9.273 478 HH11 ARG 58 HH11 ARG 58 -5.610 -13.921 6.487 479 HH12 ARG 58 HH12 ARG 58 -4.392 -14.863 7.306 480 HH21 ARG 58 HH21 ARG 58 -4.055 -12.773 10.113 481 HH22 ARG 58 HH22 ARG 58 -3.367 -14.090 9.230 482 H GLU 59 H GLU 59 -10.437 -10.942 5.083 483 HA GLU 59 HA GLU 59 -11.147 -9.244 2.735 484 HB2 GLU 59 HB2 GLU 59 -12.773 -11.158 4.461 485 HB3 GLU 59 HB3 GLU 59 -13.492 -9.968 3.354 486 HG2 GLU 59 HG2 GLU 59 -12.054 -10.926 1.529 487 HG3 GLU 59 HG3 GLU 59 -11.690 -12.278 2.590 488 H VAL 60 H VAL 60 -10.337 -8.705 5.901 489 HA VAL 60 HA VAL 60 -11.280 -6.014 5.817 490 HB VAL 60 HB VAL 60 -13.115 -6.996 6.744 491 HG11 VAL 60 HG11 VAL 60 -13.317 -8.419 8.627 492 HG12 VAL 60 HG12 VAL 60 -12.520 -9.159 7.241 493 HG13 VAL 60 HG13 VAL 60 -11.528 -8.629 8.627 494 HG21 VAL 60 HG21 VAL 60 -13.282 -6.151 9.093 495 HG22 VAL 60 HG22 VAL 60 -11.524 -5.951 9.117 496 HG23 VAL 60 HG23 VAL 60 -12.522 -4.990 8.021 497 H VAL 61 H VAL 61 -10.049 -4.706 7.302 498 HA VAL 61 HA VAL 61 -7.506 -5.820 8.265 499 HB VAL 61 HB VAL 61 -6.326 -4.121 6.852 500 HG11 VAL 61 HG11 VAL 61 -7.833 -6.083 5.095 501 HG12 VAL 61 HG12 VAL 61 -6.234 -5.368 4.828 502 HG13 VAL 61 HG13 VAL 61 -6.474 -6.523 6.155 503 HG21 VAL 61 HG21 VAL 61 -8.093 -2.551 6.369 504 HG22 VAL 61 HG22 VAL 61 -7.534 -3.229 4.837 505 HG23 VAL 61 HG23 VAL 61 -9.050 -3.776 5.507 506 H GLU 62 H GLU 62 -6.183 -3.756 9.123 507 HA GLU 62 HA GLU 62 -8.095 -2.221 10.786 508 HB2 GLU 62 HB2 GLU 62 -5.043 -2.324 10.892 509 HB3 GLU 62 HB3 GLU 62 -6.123 -1.499 12.017 510 HG2 GLU 62 HG2 GLU 62 -7.256 -3.846 12.294 511 HG3 GLU 62 HG3 GLU 62 -5.707 -4.429 11.651 512 H ILE 63 H ILE 63 -7.403 -0.064 11.282 513 HA ILE 63 HA ILE 63 -7.459 1.681 8.933 514 HB ILE 63 HB ILE 63 -7.422 2.399 11.898 515 HG12 ILE 63 HG12 ILE 63 -9.793 1.996 10.045 516 HG13 ILE 63 HG13 ILE 63 -9.313 0.938 11.382 517 HG21 ILE 63 HG21 ILE 63 -7.064 4.429 11.011 518 HG22 ILE 63 HG22 ILE 63 -7.737 4.013 9.417 519 HG23 ILE 63 HG23 ILE 63 -8.795 4.468 10.738 520 HD11 ILE 63 HD11 ILE 63 -10.996 2.103 12.387 521 HD12 ILE 63 HD12 ILE 63 -9.556 3.021 12.873 522 HD13 ILE 63 HD13 ILE 63 -10.599 3.611 11.549 523 H GLY 64 H GLY 64 -5.030 0.076 9.462 524 HA2 GLY 64 HA2 GLY 64 -3.021 2.058 8.990 525 HA3 GLY 64 HA3 GLY 64 -2.886 1.449 10.634 526 H ASP 65 H ASP 65 -4.061 -0.783 8.131 527 HA ASP 65 HA ASP 65 -1.426 -2.184 8.149 528 HB2 ASP 65 HB2 ASP 65 -4.174 -3.107 7.209 529 HB3 ASP 65 HB3 ASP 65 -2.703 -4.049 7.106 530 H VAL 66 H VAL 66 -1.352 -3.348 5.718 531 HA VAL 66 HA VAL 66 -2.298 -1.475 3.635 532 HB VAL 66 HB VAL 66 0.566 -2.468 4.057 533 HG11 VAL 66 HG11 VAL 66 1.081 -1.163 1.992 534 HG12 VAL 66 HG12 VAL 66 0.256 -2.705 1.745 535 HG13 VAL 66 HG13 VAL 66 -0.645 -1.153 1.625 536 HG21 VAL 66 HG21 VAL 66 0.058 -0.505 5.335 537 HG22 VAL 66 HG22 VAL 66 1.065 -0.008 3.961 538 HG23 VAL 66 HG23 VAL 66 -0.719 0.259 3.922 539 H GLY 67 H GLY 67 -2.716 -2.518 1.641 540 HA2 GLY 67 HA2 GLY 67 -1.827 -5.331 1.464 541 HA3 GLY 67 HA3 GLY 67 -3.532 -4.970 1.143 542 H TYR 68 H TYR 68 -1.543 -6.032 -0.650 543 HA TYR 68 HA TYR 68 -1.188 -4.005 -2.777 544 HB2 TYR 68 HB2 TYR 68 0.029 -5.567 -3.862 545 HB3 TYR 68 HB3 TYR 68 0.354 -6.051 -2.204 546 HD1 TYR 68 HD1 TYR 68 -2.203 -7.696 -1.655 547 HD2 TYR 68 HD2 TYR 68 0.481 -7.511 -5.041 548 HE1 TYR 68 HE1 TYR 68 -2.855 -9.984 -2.306 549 HE2 TYR 68 HE2 TYR 68 -0.037 -9.859 -5.573 550 HH TYR 68 HH TYR 68 -0.988 -11.883 -4.419 551 H TRP 69 H TRP 69 -2.328 -4.309 -4.879 552 HA TRP 69 HA TRP 69 -4.857 -5.818 -4.605 553 HB2 TRP 69 HB2 TRP 69 -5.105 -3.316 -4.291 554 HB3 TRP 69 HB3 TRP 69 -4.741 -3.160 -5.996 555 HD1 TRP 69 HD1 TRP 69 -7.062 -5.205 -3.761 556 HE1 TRP 69 HE1 TRP 69 -9.473 -5.298 -4.785 557 HE3 TRP 69 HE3 TRP 69 -6.201 -2.732 -8.130 558 HZ2 TRP 69 HZ2 TRP 69 -10.821 -4.200 -6.981 559 HZ3 TRP 69 HZ3 TRP 69 -8.113 -2.190 -9.643 560 HH2 TRP 69 HH2 TRP 69 -10.442 -2.852 -8.980 561 HA PRO 70 HA PRO 70 -2.271 -7.231 -8.056 562 HB2 PRO 70 HB2 PRO 70 -3.119 -9.809 -8.159 563 HB3 PRO 70 HB3 PRO 70 -1.967 -9.204 -6.941 564 HG2 PRO 70 HG2 PRO 70 -4.889 -9.766 -6.674 565 HG3 PRO 70 HG3 PRO 70 -3.617 -10.113 -5.500 566 HD2 PRO 70 HD2 PRO 70 -5.247 -7.861 -5.424 567 HD3 PRO 70 HD3 PRO 70 -3.750 -7.917 -4.642 568 HA PRO 71 HA PRO 71 -6.101 -8.552 -10.560 569 HB2 PRO 71 HB2 PRO 71 -8.565 -7.433 -10.084 570 HB3 PRO 71 HB3 PRO 71 -7.992 -8.954 -9.338 571 HG2 PRO 71 HG2 PRO 71 -8.047 -6.189 -8.126 572 HG3 PRO 71 HG3 PRO 71 -8.317 -7.769 -7.272 573 HD2 PRO 71 HD2 PRO 71 -6.113 -6.540 -7.013 574 HD3 PRO 71 HD3 PRO 71 -6.304 -8.325 -7.080 575 H GLY 72 H GLY 72 -5.667 -5.268 -9.338 576 HA2 GLY 72 HA2 GLY 72 -5.556 -4.259 -12.136 577 HA3 GLY 72 HA3 GLY 72 -6.052 -3.288 -10.756 578 H LYS 73 H LYS 73 -3.292 -5.563 -10.464 579 HA LYS 73 HA LYS 73 -1.096 -5.154 -9.892 580 HB2 LYS 73 HB2 LYS 73 -1.505 -3.604 -12.476 581 HB3 LYS 73 HB3 LYS 73 0.050 -3.633 -11.689 582 HG2 LYS 73 HG2 LYS 73 0.164 -5.265 -13.339 583 HG3 LYS 73 HG3 LYS 73 0.184 -6.042 -11.775 584 HD2 LYS 73 HD2 LYS 73 -1.131 -7.338 -13.324 585 HD3 LYS 73 HD3 LYS 73 -2.180 -6.689 -12.070 586 HE2 LYS 73 HE2 LYS 73 -3.373 -6.401 -14.085 587 HE3 LYS 73 HE3 LYS 73 -2.805 -4.796 -13.655 588 HZ1 LYS 73 HZ1 LYS 73 -1.664 -6.572 -15.726 589 HZ2 LYS 73 HZ2 LYS 73 -1.025 -5.095 -15.309 590 HZ3 LYS 73 HZ3 LYS 73 -2.509 -5.200 -15.968 591 H ALA 74 H ALA 74 -2.673 -3.582 -8.128 592 HA ALA 74 HA ALA 74 -1.283 -0.956 -8.152 593 HB1 ALA 74 HB1 ALA 74 -3.364 0.084 -7.388 594 HB2 ALA 74 HB2 ALA 74 -3.583 -0.710 -8.948 595 HB3 ALA 74 HB3 ALA 74 -4.195 -1.477 -7.461 596 H LEU 75 H LEU 75 -1.647 0.159 -6.015 597 HA LEU 75 HA LEU 75 -1.277 -1.697 -3.747 598 HB2 LEU 75 HB2 LEU 75 -0.176 0.977 -4.344 599 HB3 LEU 75 HB3 LEU 75 -1.070 1.052 -2.853 600 HG LEU 75 HG LEU 75 1.199 0.494 -2.361 601 HD11 LEU 75 HD11 LEU 75 -0.490 -0.694 -0.967 602 HD12 LEU 75 HD12 LEU 75 1.049 -1.515 -1.111 603 HD13 LEU 75 HD13 LEU 75 -0.316 -2.119 -2.011 604 HD21 LEU 75 HD21 LEU 75 2.329 -1.458 -3.314 605 HD22 LEU 75 HD22 LEU 75 1.697 -0.371 -4.583 606 HD23 LEU 75 HD23 LEU 75 0.851 -1.882 -4.227 607 H CYS 76 H CYS 76 -2.266 -0.651 -1.679 608 HA CYS 76 HA CYS 76 -4.568 1.048 -2.027 609 HB2 CYS 76 HB2 CYS 76 -4.619 -1.720 -0.842 610 HB3 CYS 76 HB3 CYS 76 -5.763 -0.539 -0.282 611 HG CYS 76 HG CYS 76 -7.064 -1.987 -2.054 612 H LEU 77 H LEU 77 -5.033 1.996 0.087 613 HA LEU 77 HA LEU 77 -3.079 1.553 2.279 614 HB2 LEU 77 HB2 LEU 77 -3.529 4.024 0.629 615 HB3 LEU 77 HB3 LEU 77 -3.267 4.278 2.314 616 HG LEU 77 HG LEU 77 -1.345 2.616 0.635 617 HD11 LEU 77 HD11 LEU 77 0.104 4.651 0.563 618 HD12 LEU 77 HD12 LEU 77 -1.259 5.598 1.201 619 HD13 LEU 77 HD13 LEU 77 -1.379 4.775 -0.374 620 HD21 LEU 77 HD21 LEU 77 -1.130 2.276 3.047 621 HD22 LEU 77 HD22 LEU 77 -1.024 4.022 3.317 622 HD23 LEU 77 HD23 LEU 77 0.268 3.167 2.442 623 H PHE 78 H PHE 78 -4.208 1.273 4.141 624 HA PHE 78 HA PHE 78 -7.080 1.988 4.192 625 HB2 PHE 78 HB2 PHE 78 -5.543 0.136 6.042 626 HB3 PHE 78 HB3 PHE 78 -7.279 0.292 5.876 627 HD1 PHE 78 HD1 PHE 78 -8.134 -0.024 3.286 628 HD2 PHE 78 HD2 PHE 78 -4.625 -1.788 5.062 629 HE1 PHE 78 HE1 PHE 78 -8.211 -1.829 1.653 630 HE2 PHE 78 HE2 PHE 78 -4.687 -3.613 3.385 631 HZ PHE 78 HZ PHE 78 -6.474 -3.635 1.644 632 H PHE 79 H PHE 79 -7.502 3.837 5.169 633 HA PHE 79 HA PHE 79 -6.285 4.504 7.728 634 HB2 PHE 79 HB2 PHE 79 -5.692 6.719 7.169 635 HB3 PHE 79 HB3 PHE 79 -4.788 5.545 6.320 636 HD1 PHE 79 HD1 PHE 79 -5.629 5.143 3.706 637 HD2 PHE 79 HD2 PHE 79 -6.812 8.443 6.192 638 HE1 PHE 79 HE1 PHE 79 -6.018 6.500 1.698 639 HE2 PHE 79 HE2 PHE 79 -7.247 9.827 4.128 640 HZ PHE 79 HZ PHE 79 -6.781 8.882 1.891 641 H GLY 80 H GLY 80 -9.134 3.670 6.844 642 HA2 GLY 80 HA2 GLY 80 -10.445 5.595 8.565 643 HA3 GLY 80 HA3 GLY 80 -10.840 5.855 6.907 644 H LYS 81 H LYS 81 -12.304 4.714 5.971 645 HA LYS 81 HA LYS 81 -13.268 2.211 6.478 646 HB2 LYS 81 HB2 LYS 81 -14.292 3.615 8.490 647 HB3 LYS 81 HB3 LYS 81 -15.375 4.282 7.282 648 HG2 LYS 81 HG2 LYS 81 -15.041 1.325 7.974 649 HG3 LYS 81 HG3 LYS 81 -16.296 2.390 8.582 650 HD2 LYS 81 HD2 LYS 81 -16.594 2.703 5.830 651 HD3 LYS 81 HD3 LYS 81 -16.050 1.026 5.958 652 HE2 LYS 81 HE2 LYS 81 -18.408 0.881 6.121 653 HE3 LYS 81 HE3 LYS 81 -17.877 0.792 7.810 654 HZ1 LYS 81 HZ1 LYS 81 -19.017 3.097 6.375 655 HZ2 LYS 81 HZ2 LYS 81 -18.309 3.251 7.885 656 HZ3 LYS 81 HZ3 LYS 81 -19.628 2.321 7.680 657 H THR 82 H THR 82 -13.786 1.772 4.260 658 HA THR 82 HA THR 82 -14.122 4.073 2.460 659 HB THR 82 HB THR 82 -13.812 2.416 0.699 660 HG1 THR 82 HG1 THR 82 -13.687 0.380 2.626 661 HG21 THR 82 HG21 THR 82 -11.928 3.285 2.144 662 HG22 THR 82 HG22 THR 82 -11.592 1.914 1.077 663 HG23 THR 82 HG23 THR 82 -11.797 1.656 2.829 664 HA PRO 83 HA PRO 83 -18.523 3.424 1.690 665 HB2 PRO 83 HB2 PRO 83 -18.831 3.811 -0.984 666 HB3 PRO 83 HB3 PRO 83 -18.380 5.119 0.135 667 HG2 PRO 83 HG2 PRO 83 -16.423 3.486 -1.540 668 HG3 PRO 83 HG3 PRO 83 -16.550 5.259 -1.411 669 HD2 PRO 83 HD2 PRO 83 -14.794 3.937 0.056 670 HD3 PRO 83 HD3 PRO 83 -15.709 5.278 0.774 671 H MET 84 H MET 84 -16.253 1.035 0.863 672 HA MET 84 HA MET 84 -18.090 -0.515 -0.861 673 HB2 MET 84 HB2 MET 84 -15.455 -0.021 -0.986 674 HB3 MET 84 HB3 MET 84 -15.375 -1.524 -0.086 675 HG2 MET 84 HG2 MET 84 -16.775 -1.035 -2.757 676 HG3 MET 84 HG3 MET 84 -15.211 -1.808 -2.562 677 HE1 MET 84 HE1 MET 84 -16.140 -5.252 -0.961 678 HE2 MET 84 HE2 MET 84 -14.817 -4.261 -1.598 679 HE3 MET 84 HE3 MET 84 -15.659 -3.782 -0.103 680 H SER 85 H SER 85 -16.712 -0.585 2.400 681 HA SER 85 HA SER 85 -18.214 -3.060 3.030 682 HB2 SER 85 HB2 SER 85 -15.960 -2.363 4.157 683 HB3 SER 85 HB3 SER 85 -16.966 -1.155 5.002 684 HG SER 85 HG SER 85 -17.492 -3.982 4.991 685 H ASP 86 H ASP 86 -19.353 -2.364 5.354 686 HA ASP 86 HA ASP 86 -20.916 0.113 5.082 687 HB2 ASP 86 HB2 ASP 86 -21.985 -2.131 4.036 688 HB3 ASP 86 HB3 ASP 86 -22.375 -2.462 5.723 689 H ASP 87 H ASP 87 -20.359 -2.904 6.880 690 HA ASP 87 HA ASP 87 -20.807 -1.816 9.516 691 HB2 ASP 87 HB2 ASP 87 -21.109 -4.221 8.739 692 HB3 ASP 87 HB3 ASP 87 -19.380 -4.363 8.653 693 H LYS 88 H LYS 88 -17.874 -2.752 7.650 694 HA LYS 88 HA LYS 88 -16.121 -1.928 9.900 695 HB2 LYS 88 HB2 LYS 88 -15.080 -4.125 9.944 696 HB3 LYS 88 HB3 LYS 88 -16.800 -4.281 10.209 697 HG2 LYS 88 HG2 LYS 88 -16.900 -4.750 7.594 698 HG3 LYS 88 HG3 LYS 88 -15.160 -5.026 7.801 699 HD2 LYS 88 HD2 LYS 88 -16.192 -7.116 7.832 700 HD3 LYS 88 HD3 LYS 88 -15.699 -6.806 9.484 701 HE2 LYS 88 HE2 LYS 88 -18.558 -6.161 8.596 702 HE3 LYS 88 HE3 LYS 88 -18.076 -7.832 8.848 703 HZ1 LYS 88 HZ1 LYS 88 -18.171 -5.723 10.889 704 HZ2 LYS 88 HZ2 LYS 88 -17.352 -7.152 11.125 705 HZ3 LYS 88 HZ3 LYS 88 -18.970 -7.134 10.848 706 H ILE 89 H ILE 89 -13.712 -3.012 8.761 707 HA ILE 89 HA ILE 89 -13.424 -1.070 6.535 708 HB ILE 89 HB ILE 89 -11.510 -1.998 8.682 709 HG12 ILE 89 HG12 ILE 89 -12.449 0.851 8.287 710 HG13 ILE 89 HG13 ILE 89 -13.595 -0.220 9.035 711 HG21 ILE 89 HG21 ILE 89 -11.185 0.047 6.440 712 HG22 ILE 89 HG22 ILE 89 -10.048 -0.133 7.795 713 HG23 ILE 89 HG23 ILE 89 -10.249 -1.442 6.635 714 HD11 ILE 89 HD11 ILE 89 -12.237 -0.729 10.854 715 HD12 ILE 89 HD12 ILE 89 -10.793 -0.055 10.078 716 HD13 ILE 89 HD13 ILE 89 -12.115 1.034 10.603 717 H GLN 90 H GLN 90 -14.385 -2.940 5.380 718 HA GLN 90 HA GLN 90 -12.563 -5.103 4.675 719 HB2 GLN 90 HB2 GLN 90 -15.131 -4.252 3.313 720 HB3 GLN 90 HB3 GLN 90 -14.243 -5.749 3.031 721 HG2 GLN 90 HG2 GLN 90 -14.605 -6.401 5.416 722 HG3 GLN 90 HG3 GLN 90 -15.486 -4.912 5.678 723 HE21 GLN 90 HE21 GLN 90 -15.505 -7.773 3.600 724 HE22 GLN 90 HE22 GLN 90 -17.228 -7.807 3.378 725 HA PRO 91 HA PRO 91 -10.747 -2.781 1.201 726 HB2 PRO 91 HB2 PRO 91 -9.388 -4.883 0.046 727 HB3 PRO 91 HB3 PRO 91 -8.830 -4.080 1.547 728 HG2 PRO 91 HG2 PRO 91 -10.439 -6.622 1.307 729 HG3 PRO 91 HG3 PRO 91 -8.983 -6.322 2.320 730 HD2 PRO 91 HD2 PRO 91 -11.497 -6.204 3.240 731 HD3 PRO 91 HD3 PRO 91 -10.249 -5.073 3.852 732 H ALA 92 H ALA 92 -10.491 -3.150 -1.179 733 HA ALA 92 HA ALA 92 -12.882 -3.725 -2.465 734 HB1 ALA 92 HB1 ALA 92 -11.425 -3.616 -4.598 735 HB2 ALA 92 HB2 ALA 92 -11.337 -2.232 -3.497 736 HB3 ALA 92 HB3 ALA 92 -10.037 -3.440 -3.508 737 H SER 93 H SER 93 -10.375 -6.083 -1.605 738 HA SER 93 HA SER 93 -12.070 -8.194 -2.482 739 HB2 SER 93 HB2 SER 93 -10.337 -7.293 -4.548 740 HB3 SER 93 HB3 SER 93 -9.567 -8.732 -3.906 741 HG SER 93 HG SER 93 -10.976 -9.300 -5.493 742 H ALA 94 H ALA 94 -10.415 -10.350 -2.468 743 HA ALA 94 HA ALA 94 -9.209 -10.420 0.203 744 HB1 ALA 94 HB1 ALA 94 -8.443 -12.650 -0.431 745 HB2 ALA 94 HB2 ALA 94 -10.180 -12.464 -0.742 746 HB3 ALA 94 HB3 ALA 94 -9.013 -12.417 -2.086 747 H VAL 95 H VAL 95 -7.647 -8.956 0.348 748 HA VAL 95 HA VAL 95 -5.494 -8.763 -1.686 749 HB VAL 95 HB VAL 95 -4.867 -6.716 -0.415 750 HG11 VAL 95 HG11 VAL 95 -6.174 -6.513 -2.372 751 HG12 VAL 95 HG12 VAL 95 -7.691 -6.987 -1.561 752 HG13 VAL 95 HG13 VAL 95 -6.951 -5.444 -1.195 753 HG21 VAL 95 HG21 VAL 95 -7.267 -7.384 1.316 754 HG22 VAL 95 HG22 VAL 95 -5.627 -6.844 1.773 755 HG23 VAL 95 HG23 VAL 95 -6.747 -5.719 1.039 756 H ASN 96 H ASN 96 -3.335 -8.058 0.193 757 HA ASN 96 HA ASN 96 -3.133 -10.456 1.889 758 HB2 ASN 96 HB2 ASN 96 -2.155 -10.977 -0.378 759 HB3 ASN 96 HB3 ASN 96 -0.993 -9.651 -0.139 760 HD21 ASN 96 HD21 ASN 96 0.491 -11.598 -0.552 761 HD22 ASN 96 HD22 ASN 96 1.026 -12.481 0.811 762 H VAL 97 H VAL 97 -2.384 -9.776 3.838 763 HA VAL 97 HA VAL 97 -1.883 -6.965 4.127 764 HB VAL 97 HB VAL 97 -1.905 -9.078 6.343 765 HG11 VAL 97 HG11 VAL 97 -2.641 -7.184 7.756 766 HG12 VAL 97 HG12 VAL 97 -1.099 -6.760 7.024 767 HG13 VAL 97 HG13 VAL 97 -2.591 -6.102 6.344 768 HG21 VAL 97 HG21 VAL 97 -4.282 -8.422 6.624 769 HG22 VAL 97 HG22 VAL 97 -4.192 -7.539 5.087 770 HG23 VAL 97 HG23 VAL 97 -3.978 -9.316 5.126 771 H ILE 98 H ILE 98 0.145 -7.688 2.595 772 HA ILE 98 HA ILE 98 2.441 -8.781 3.985 773 HB ILE 98 HB ILE 98 3.692 -8.309 1.952 774 HG12 ILE 98 HG12 ILE 98 1.219 -6.759 1.015 775 HG13 ILE 98 HG13 ILE 98 2.816 -6.090 1.367 776 HG21 ILE 98 HG21 ILE 98 0.946 -9.287 1.151 777 HG22 ILE 98 HG22 ILE 98 2.532 -9.835 0.546 778 HG23 ILE 98 HG23 ILE 98 2.025 -10.242 2.193 779 HD11 ILE 98 HD11 ILE 98 2.088 -7.949 -0.921 780 HD12 ILE 98 HD12 ILE 98 2.630 -6.281 -1.008 781 HD13 ILE 98 HD13 ILE 98 3.764 -7.523 -0.482 782 H GLY 99 H GLY 99 1.131 -5.573 4.097 783 HA2 GLY 99 HA2 GLY 99 3.775 -4.526 4.932 784 HA3 GLY 99 HA3 GLY 99 2.632 -3.625 3.900 785 H LYS 100 H LYS 100 3.601 -2.792 6.516 786 HA LYS 100 HA LYS 100 0.881 -2.297 7.750 787 HB2 LYS 100 HB2 LYS 100 2.492 -3.799 9.148 788 HB3 LYS 100 HB3 LYS 100 3.590 -2.385 9.183 789 HG2 LYS 100 HG2 LYS 100 2.433 -1.943 11.134 790 HG3 LYS 100 HG3 LYS 100 1.389 -1.071 10.006 791 HD2 LYS 100 HD2 LYS 100 0.186 -3.362 9.633 792 HD3 LYS 100 HD3 LYS 100 1.058 -3.904 11.066 793 HE2 LYS 100 HE2 LYS 100 -1.056 -1.750 10.865 794 HE3 LYS 100 HE3 LYS 100 -1.211 -3.326 11.634 795 HZ1 LYS 100 HZ1 LYS 100 0.288 -1.009 12.620 796 HZ2 LYS 100 HZ2 LYS 100 0.669 -2.491 13.142 797 HZ3 LYS 100 HZ3 LYS 100 -0.864 -1.901 13.374 798 H ILE 101 H ILE 101 0.438 -0.115 8.036 799 HA ILE 101 HA ILE 101 2.514 1.908 7.303 800 HB ILE 101 HB ILE 101 -0.290 2.105 8.388 801 HG12 ILE 101 HG12 ILE 101 0.449 3.314 5.763 802 HG13 ILE 101 HG13 ILE 101 0.355 1.627 5.788 803 HG21 ILE 101 HG21 ILE 101 0.959 4.040 9.212 804 HG22 ILE 101 HG22 ILE 101 1.647 4.282 7.642 805 HG23 ILE 101 HG23 ILE 101 -0.034 4.579 7.911 806 HD11 ILE 101 HD11 ILE 101 -1.805 3.569 6.555 807 HD12 ILE 101 HD12 ILE 101 -1.781 2.377 5.199 808 HD13 ILE 101 HD13 ILE 101 -1.916 1.819 6.901 809 H VAL 102 H VAL 102 4.101 2.014 8.584 810 HA VAL 102 HA VAL 102 3.759 1.326 11.376 811 HB VAL 102 HB VAL 102 5.374 0.534 9.288 812 HG11 VAL 102 HG11 VAL 102 6.574 2.453 9.059 813 HG12 VAL 102 HG12 VAL 102 7.119 2.415 10.721 814 HG13 VAL 102 HG13 VAL 102 7.664 1.111 9.643 815 HG21 VAL 102 HG21 VAL 102 6.604 -0.740 10.808 816 HG22 VAL 102 HG22 VAL 102 5.932 0.257 12.217 817 HG23 VAL 102 HG23 VAL 102 4.826 -0.672 11.198 818 H GLU 103 H GLU 103 4.615 3.951 9.112 819 HA GLU 103 HA GLU 103 4.199 5.979 11.174 820 HB2 GLU 103 HB2 GLU 103 6.667 5.628 9.424 821 HB3 GLU 103 HB3 GLU 103 6.118 7.189 9.927 822 HG2 GLU 103 HG2 GLU 103 6.199 6.014 12.353 823 HG3 GLU 103 HG3 GLU 103 7.435 5.144 11.424 824 H GLY 104 H GLY 104 3.716 7.969 10.184 825 HA2 GLY 104 HA2 GLY 104 2.806 9.245 8.274 826 HA3 GLY 104 HA3 GLY 104 3.298 7.927 7.340 827 H LEU 105 H LEU 105 0.963 8.233 10.031 828 HA LEU 105 HA LEU 105 -1.079 6.956 8.252 829 HB2 LEU 105 HB2 LEU 105 -0.430 5.833 10.468 830 HB3 LEU 105 HB3 LEU 105 -1.184 7.221 11.268 831 HG LEU 105 HG LEU 105 -3.269 6.710 9.850 832 HD11 LEU 105 HD11 LEU 105 -1.864 4.038 9.472 833 HD12 LEU 105 HD12 LEU 105 -2.189 5.204 8.172 834 HD13 LEU 105 HD13 LEU 105 -3.512 4.422 8.973 835 HD21 LEU 105 HD21 LEU 105 -2.354 4.699 11.906 836 HD22 LEU 105 HD22 LEU 105 -4.019 4.922 11.364 837 HD23 LEU 105 HD23 LEU 105 -3.186 6.232 12.217 838 H GLU 106 H GLU 106 -0.433 9.707 10.349 839 HA GLU 106 HA GLU 106 -3.126 10.790 10.144 840 HB2 GLU 106 HB2 GLU 106 -0.510 12.002 11.128 841 HB3 GLU 106 HB3 GLU 106 -2.136 12.689 11.374 842 HG2 GLU 106 HG2 GLU 106 -2.823 10.673 12.614 843 HG3 GLU 106 HG3 GLU 106 -1.271 9.898 12.304 844 H ASP 107 H ASP 107 0.017 11.293 8.597 845 HA ASP 107 HA ASP 107 -0.722 13.634 7.199 846 HB2 ASP 107 HB2 ASP 107 1.632 12.290 7.818 847 HB3 ASP 107 HB3 ASP 107 1.533 12.046 6.082 848 H LEU 108 H LEU 108 -2.101 10.832 6.707 849 HA LEU 108 HA LEU 108 -2.041 10.611 3.767 850 HB2 LEU 108 HB2 LEU 108 -3.758 9.172 5.833 851 HB3 LEU 108 HB3 LEU 108 -3.588 8.744 4.133 852 HG LEU 108 HG LEU 108 -1.318 8.664 6.190 853 HD11 LEU 108 HD11 LEU 108 -3.019 6.979 6.660 854 HD12 LEU 108 HD12 LEU 108 -1.580 6.202 5.972 855 HD13 LEU 108 HD13 LEU 108 -3.005 6.490 4.946 856 HD21 LEU 108 HD21 LEU 108 -1.442 7.603 3.339 857 HD22 LEU 108 HD22 LEU 108 -0.107 7.403 4.511 858 HD23 LEU 108 HD23 LEU 108 -0.496 9.008 3.889 859 H LYS 109 H LYS 109 -4.289 11.798 6.344 860 HA LYS 109 HA LYS 109 -6.569 11.884 4.650 861 HB2 LYS 109 HB2 LYS 109 -5.945 13.469 7.175 862 HB3 LYS 109 HB3 LYS 109 -7.542 13.214 6.466 863 HG2 LYS 109 HG2 LYS 109 -7.636 11.602 8.020 864 HG3 LYS 109 HG3 LYS 109 -6.909 10.643 6.728 865 HD2 LYS 109 HD2 LYS 109 -4.729 10.773 7.815 866 HD3 LYS 109 HD3 LYS 109 -5.302 12.081 8.871 867 HE2 LYS 109 HE2 LYS 109 -5.532 10.510 10.400 868 HE3 LYS 109 HE3 LYS 109 -7.064 10.182 9.576 869 HZ1 LYS 109 HZ1 LYS 109 -5.530 8.251 10.089 870 HZ2 LYS 109 HZ2 LYS 109 -4.565 8.752 8.889 871 HZ3 LYS 109 HZ3 LYS 109 -6.130 8.283 8.592 872 H LYS 110 H LYS 110 -3.861 13.800 4.393 873 HA LYS 110 HA LYS 110 -5.303 16.229 3.487 874 HB2 LYS 110 HB2 LYS 110 -3.221 17.343 3.765 875 HB3 LYS 110 HB3 LYS 110 -3.470 16.342 5.180 876 HG2 LYS 110 HG2 LYS 110 -2.025 14.589 3.661 877 HG3 LYS 110 HG3 LYS 110 -1.430 16.098 2.972 878 HD2 LYS 110 HD2 LYS 110 -1.453 15.332 5.922 879 HD3 LYS 110 HD3 LYS 110 -0.041 15.281 4.839 880 HE2 LYS 110 HE2 LYS 110 -0.187 17.694 4.489 881 HE3 LYS 110 HE3 LYS 110 -1.606 17.808 5.551 882 HZ1 LYS 110 HZ1 LYS 110 0.887 16.631 6.536 883 HZ2 LYS 110 HZ2 LYS 110 -0.313 17.301 7.397 884 HZ3 LYS 110 HZ3 LYS 110 0.714 18.271 6.477 885 H ILE 111 H ILE 111 -4.343 13.335 2.099 886 HA ILE 111 HA ILE 111 -2.717 14.391 -0.008 887 HB ILE 111 HB ILE 111 -3.856 11.664 0.696 888 HG12 ILE 111 HG12 ILE 111 -2.080 12.651 2.215 889 HG13 ILE 111 HG13 ILE 111 -1.643 11.121 1.501 890 HG21 ILE 111 HG21 ILE 111 -1.940 12.269 -1.552 891 HG22 ILE 111 HG22 ILE 111 -2.131 10.674 -0.840 892 HG23 ILE 111 HG23 ILE 111 -3.515 11.446 -1.644 893 HD11 ILE 111 HD11 ILE 111 -0.791 13.710 0.226 894 HD12 ILE 111 HD12 ILE 111 0.144 12.996 1.529 895 HD13 ILE 111 HD13 ILE 111 -0.086 12.125 -0.013 896 H LYS 112 H LYS 112 -3.119 14.050 -2.273 897 HA LYS 112 HA LYS 112 -5.938 14.436 -3.106 898 HB2 LYS 112 HB2 LYS 112 -3.384 15.298 -4.473 899 HB3 LYS 112 HB3 LYS 112 -4.992 15.713 -4.995 900 HG2 LYS 112 HG2 LYS 112 -3.940 16.587 -2.267 901 HG3 LYS 112 HG3 LYS 112 -3.595 17.444 -3.752 902 HD2 LYS 112 HD2 LYS 112 -5.445 18.482 -2.696 903 HD3 LYS 112 HD3 LYS 112 -5.973 17.707 -4.214 904 HE2 LYS 112 HE2 LYS 112 -7.177 16.034 -3.099 905 HE3 LYS 112 HE3 LYS 112 -6.225 16.220 -1.625 906 HZ1 LYS 112 HZ1 LYS 112 -8.664 17.389 -2.263 907 HZ2 LYS 112 HZ2 LYS 112 -7.588 18.613 -2.013 908 HZ3 LYS 112 HZ3 LYS 112 -7.841 17.465 -0.854 909 H ASP 113 H ASP 113 -6.231 13.975 -5.411 910 HA ASP 113 HA ASP 113 -5.881 11.125 -5.833 911 HB2 ASP 113 HB2 ASP 113 -8.021 12.344 -5.885 912 HB3 ASP 113 HB3 ASP 113 -7.448 13.280 -7.268 913 H GLY 114 H GLY 114 -3.578 13.041 -6.401 914 HA2 GLY 114 HA2 GLY 114 -2.381 11.607 -8.433 915 HA3 GLY 114 HA3 GLY 114 -3.063 13.022 -9.254 916 H GLU 115 H GLU 115 -1.274 12.271 -6.209 917 HA GLU 115 HA GLU 115 0.260 14.768 -6.580 918 HB2 GLU 115 HB2 GLU 115 0.431 15.091 -4.408 919 HB3 GLU 115 HB3 GLU 115 -1.261 14.767 -4.672 920 HG2 GLU 115 HG2 GLU 115 -1.311 12.792 -3.628 921 HG3 GLU 115 HG3 GLU 115 0.468 12.668 -3.475 922 H LYS 116 H LYS 116 1.084 12.351 -7.761 923 HA LYS 116 HA LYS 116 2.965 11.007 -8.024 924 HB2 LYS 116 HB2 LYS 116 3.573 13.877 -8.020 925 HB3 LYS 116 HB3 LYS 116 4.995 12.908 -7.680 926 HG2 LYS 116 HG2 LYS 116 4.441 11.449 -9.654 927 HG3 LYS 116 HG3 LYS 116 3.103 12.565 -9.992 928 HD2 LYS 116 HD2 LYS 116 5.604 14.049 -9.677 929 HD3 LYS 116 HD3 LYS 116 5.864 12.722 -10.801 930 HE2 LYS 116 HE2 LYS 116 4.793 13.775 -12.449 931 HE3 LYS 116 HE3 LYS 116 3.338 13.945 -11.468 932 HZ1 LYS 116 HZ1 LYS 116 4.096 16.071 -12.118 933 HZ2 LYS 116 HZ2 LYS 116 5.604 15.839 -11.526 934 HZ3 LYS 116 HZ3 LYS 116 4.318 15.944 -10.496 935 H VAL 117 H VAL 117 2.978 9.474 -6.442 936 HA VAL 117 HA VAL 117 4.410 10.096 -3.923 937 HB VAL 117 HB VAL 117 2.481 8.720 -3.761 938 HG11 VAL 117 HG11 VAL 117 3.859 6.586 -5.448 939 HG12 VAL 117 HG12 VAL 117 2.337 6.390 -4.562 940 HG13 VAL 117 HG13 VAL 117 2.415 7.519 -5.919 941 HG21 VAL 117 HG21 VAL 117 5.019 7.228 -3.092 942 HG22 VAL 117 HG22 VAL 117 4.162 8.493 -2.143 943 HG23 VAL 117 HG23 VAL 117 3.403 6.921 -2.416 944 H ALA 118 H ALA 118 6.616 9.637 -3.801 945 HA ALA 118 HA ALA 118 7.941 8.000 -5.933 946 HB1 ALA 118 HB1 ALA 118 9.041 10.040 -3.958 947 HB2 ALA 118 HB2 ALA 118 10.050 8.901 -4.899 948 HB3 ALA 118 HB3 ALA 118 9.084 10.117 -5.735 949 H VAL 119 H VAL 119 8.148 5.971 -5.197 950 HA VAL 119 HA VAL 119 7.980 5.206 -2.345 951 HB VAL 119 HB VAL 119 7.919 3.739 -5.031 952 HG11 VAL 119 HG11 VAL 119 7.298 1.717 -3.696 953 HG12 VAL 119 HG12 VAL 119 8.970 2.250 -3.492 954 HG13 VAL 119 HG13 VAL 119 7.753 2.610 -2.228 955 HG21 VAL 119 HG21 VAL 119 5.596 3.204 -4.473 956 HG22 VAL 119 HG22 VAL 119 5.719 4.117 -2.953 957 HG23 VAL 119 HG23 VAL 119 5.819 4.950 -4.521 958 H ARG 120 H ARG 120 9.954 4.835 -1.286 959 HA ARG 120 HA ARG 120 12.282 3.843 -2.845 960 HB2 ARG 120 HB2 ARG 120 12.738 5.734 -0.565 961 HB3 ARG 120 HB3 ARG 120 13.825 5.210 -1.834 962 HG2 ARG 120 HG2 ARG 120 12.317 6.505 -3.479 963 HG3 ARG 120 HG3 ARG 120 11.517 7.199 -2.057 964 HD2 ARG 120 HD2 ARG 120 14.490 7.269 -2.626 965 HD3 ARG 120 HD3 ARG 120 13.365 8.590 -3.009 966 HE ARG 120 HE ARG 120 13.163 7.837 -0.223 967 HH11 ARG 120 HH11 ARG 120 15.419 9.632 -2.323 968 HH12 ARG 120 HH12 ARG 120 16.068 10.512 -1.001 969 HH21 ARG 120 HH21 ARG 120 13.857 9.014 1.349 970 HH22 ARG 120 HH22 ARG 120 15.028 10.316 1.202 971 H PHE 121 H PHE 121 13.999 3.035 -0.948 972 HA PHE 121 HA PHE 121 12.633 0.912 0.478 973 HB2 PHE 121 HB2 PHE 121 15.500 1.851 0.119 974 HB3 PHE 121 HB3 PHE 121 15.105 0.596 1.260 975 HD1 PHE 121 HD1 PHE 121 13.526 -1.296 0.401 976 HD2 PHE 121 HD2 PHE 121 15.724 1.319 -2.139 977 HE1 PHE 121 HE1 PHE 121 13.295 -2.962 -1.451 978 HE2 PHE 121 HE2 PHE 121 15.636 -0.381 -4.010 979 HZ PHE 121 HZ PHE 121 14.394 -2.508 -3.658 980 H ALA 122 H ALA 122 13.317 3.851 1.289 981 HA ALA 122 HA ALA 122 13.293 5.241 3.218 982 HB1 ALA 122 HB1 ALA 122 11.522 3.488 4.093 983 HB2 ALA 122 HB2 ALA 122 12.870 2.856 5.039 984 HB3 ALA 122 HB3 ALA 122 12.358 4.541 5.264 985 H SER 123 H SER 123 14.550 4.955 5.601 986 HA SER 123 HA SER 123 17.050 3.416 5.336 987 HB2 SER 123 HB2 SER 123 18.305 5.572 5.837 988 HB3 SER 123 HB3 SER 123 17.524 5.415 4.249 989 HG SER 123 HG SER 123 16.521 6.938 6.430 990 H SER 124 H SER 124 14.522 3.556 6.967 991 HA SER 124 HA SER 124 15.470 3.983 9.745 992 HB2 SER 124 HB2 SER 124 13.400 5.389 10.023 993 HB3 SER 124 HB3 SER 124 14.624 6.155 8.991 994 HG SER 124 HG SER 124 12.603 4.502 7.954 Start of MODEL 15 1 H1 MET 1 H1 MET 1 10.920 -6.235 5.009 2 HA MET 1 HA MET 1 12.994 -4.252 4.253 3 HB2 MET 1 HB2 MET 1 12.998 -6.154 2.747 4 HB3 MET 1 HB3 MET 1 11.252 -6.013 2.474 5 HG2 MET 1 HG2 MET 1 11.481 -4.191 1.084 6 HG3 MET 1 HG3 MET 1 12.842 -3.541 1.988 7 HE1 MET 1 HE1 MET 1 13.204 -7.062 -0.996 8 HE2 MET 1 HE2 MET 1 12.226 -7.049 0.457 9 HE3 MET 1 HE3 MET 1 11.749 -6.041 -0.927 10 H ARG 2 H ARG 2 12.272 -2.432 4.970 11 HA ARG 2 HA ARG 2 9.382 -1.796 5.005 12 HB2 ARG 2 HB2 ARG 2 11.933 -0.317 5.753 13 HB3 ARG 2 HB3 ARG 2 10.289 0.414 5.807 14 HG2 ARG 2 HG2 ARG 2 9.585 -1.285 7.400 15 HG3 ARG 2 HG3 ARG 2 11.230 -1.933 7.490 16 HD2 ARG 2 HD2 ARG 2 10.413 0.943 8.090 17 HD3 ARG 2 HD3 ARG 2 10.598 -0.322 9.310 18 HE ARG 2 HE ARG 2 13.001 -0.006 7.721 19 HH11 ARG 2 HH11 ARG 2 11.165 1.370 10.429 20 HH12 ARG 2 HH12 ARG 2 12.423 2.400 10.972 21 HH21 ARG 2 HH21 ARG 2 14.900 0.910 8.809 22 HH22 ARG 2 HH22 ARG 2 14.640 1.620 10.361 23 H VAL 3 H VAL 3 8.633 0.138 3.882 24 HA VAL 3 HA VAL 3 10.160 1.004 1.550 25 HB VAL 3 HB VAL 3 7.516 -0.494 1.532 26 HG11 VAL 3 HG11 VAL 3 7.211 1.487 0.087 27 HG12 VAL 3 HG12 VAL 3 8.696 1.068 -0.799 28 HG13 VAL 3 HG13 VAL 3 7.294 -0.008 -0.852 29 HG21 VAL 3 HG21 VAL 3 9.373 -1.987 1.303 30 HG22 VAL 3 HG22 VAL 3 8.783 -1.749 -0.337 31 HG23 VAL 3 HG23 VAL 3 10.233 -0.869 0.219 32 H GLU 4 H GLU 4 10.049 3.187 1.501 33 HA GLU 4 HA GLU 4 8.179 4.512 3.380 34 HB2 GLU 4 HB2 GLU 4 10.700 4.792 3.279 35 HB3 GLU 4 HB3 GLU 4 10.444 5.769 1.878 36 HG2 GLU 4 HG2 GLU 4 8.778 6.917 3.871 37 HG3 GLU 4 HG3 GLU 4 10.011 6.206 4.797 38 H LEU 5 H LEU 5 6.583 5.868 2.657 39 HA LEU 5 HA LEU 5 6.458 6.301 -0.338 40 HB2 LEU 5 HB2 LEU 5 3.984 6.351 1.357 41 HB3 LEU 5 HB3 LEU 5 4.120 6.334 -0.345 42 HG LEU 5 HG LEU 5 4.669 4.009 1.558 43 HD11 LEU 5 HD11 LEU 5 2.283 4.564 1.205 44 HD12 LEU 5 HD12 LEU 5 2.679 3.026 0.444 45 HD13 LEU 5 HD13 LEU 5 2.511 4.492 -0.546 46 HD21 LEU 5 HD21 LEU 5 4.901 2.582 -0.431 47 HD22 LEU 5 HD22 LEU 5 6.151 3.829 -0.424 48 HD23 LEU 5 HD23 LEU 5 4.733 4.004 -1.487 49 H LEU 6 H LEU 6 7.402 8.289 -0.477 50 HA LEU 6 HA LEU 6 6.534 10.560 1.262 51 HB2 LEU 6 HB2 LEU 6 8.865 9.796 -0.404 52 HB3 LEU 6 HB3 LEU 6 8.227 11.329 -0.957 53 HG LEU 6 HG LEU 6 8.743 10.872 1.994 54 HD11 LEU 6 HD11 LEU 6 10.822 10.283 0.851 55 HD12 LEU 6 HD12 LEU 6 10.997 11.838 1.659 56 HD13 LEU 6 HD13 LEU 6 10.751 11.786 -0.108 57 HD21 LEU 6 HD21 LEU 6 8.905 13.324 1.986 58 HD22 LEU 6 HD22 LEU 6 7.414 12.880 1.160 59 HD23 LEU 6 HD23 LEU 6 8.825 13.368 0.213 60 H PHE 7 H PHE 7 5.352 12.330 0.449 61 HA PHE 7 HA PHE 7 4.462 12.259 -2.388 62 HB2 PHE 7 HB2 PHE 7 2.732 13.090 -0.073 63 HB3 PHE 7 HB3 PHE 7 2.281 12.869 -1.754 64 HD1 PHE 7 HD1 PHE 7 3.181 11.159 1.428 65 HD2 PHE 7 HD2 PHE 7 1.354 10.770 -2.404 66 HE1 PHE 7 HE1 PHE 7 2.374 8.954 2.120 67 HE2 PHE 7 HE2 PHE 7 0.545 8.494 -1.780 68 HZ PHE 7 HZ PHE 7 1.034 7.561 0.480 69 H GLU 8 H GLU 8 3.396 14.537 -2.791 70 HA GLU 8 HA GLU 8 5.250 16.602 -2.069 71 HB2 GLU 8 HB2 GLU 8 2.605 16.759 -3.519 72 HB3 GLU 8 HB3 GLU 8 3.862 18.006 -3.521 73 HG2 GLU 8 HG2 GLU 8 4.325 15.157 -4.539 74 HG3 GLU 8 HG3 GLU 8 3.679 16.394 -5.548 75 H SER 9 H SER 9 2.285 15.489 -0.638 76 HA SER 9 HA SER 9 2.074 18.009 0.984 77 HB2 SER 9 HB2 SER 9 0.339 17.406 -0.771 78 HB3 SER 9 HB3 SER 9 -0.110 16.040 0.269 79 HG SER 9 HG SER 9 -1.453 17.523 0.860 80 H GLY 10 H GLY 10 3.285 14.920 1.344 81 HA2 GLY 10 HA2 GLY 10 3.153 14.803 4.161 82 HA3 GLY 10 HA3 GLY 10 1.919 13.727 3.448 83 H LYS 11 H LYS 11 3.366 12.169 4.689 84 HA LYS 11 HA LYS 11 4.611 10.610 2.782 85 HB2 LYS 11 HB2 LYS 11 6.886 10.410 3.684 86 HB3 LYS 11 HB3 LYS 11 6.620 12.021 3.051 87 HG2 LYS 11 HG2 LYS 11 6.175 12.853 5.383 88 HG3 LYS 11 HG3 LYS 11 6.555 11.220 5.968 89 HD2 LYS 11 HD2 LYS 11 8.797 11.440 4.781 90 HD3 LYS 11 HD3 LYS 11 8.407 13.174 4.562 91 HE2 LYS 11 HE2 LYS 11 8.217 11.707 7.228 92 HE3 LYS 11 HE3 LYS 11 9.710 12.471 6.682 93 HZ1 LYS 11 HZ1 LYS 11 8.612 14.587 6.679 94 HZ2 LYS 11 HZ2 LYS 11 8.495 13.856 8.130 95 HZ3 LYS 11 HZ3 LYS 11 7.166 13.920 7.177 96 H CYS 12 H CYS 12 4.841 8.533 3.528 97 HA CYS 12 HA CYS 12 4.565 7.663 6.393 98 HB2 CYS 12 HB2 CYS 12 2.554 6.494 5.894 99 HB3 CYS 12 HB3 CYS 12 2.327 7.863 4.791 100 HG CYS 12 HG CYS 12 3.244 4.779 4.400 101 H VAL 13 H VAL 13 4.744 5.584 6.383 102 HA VAL 13 HA VAL 13 6.546 4.497 4.225 103 HB VAL 13 HB VAL 13 7.453 5.381 6.778 104 HG11 VAL 13 HG11 VAL 13 5.896 4.604 7.622 105 HG12 VAL 13 HG12 VAL 13 6.613 2.903 7.279 106 HG13 VAL 13 HG13 VAL 13 7.533 4.107 8.239 107 HG21 VAL 13 HG21 VAL 13 9.191 3.478 6.865 108 HG22 VAL 13 HG22 VAL 13 8.338 2.726 5.469 109 HG23 VAL 13 HG23 VAL 13 9.170 4.255 5.265 110 H ILE 14 H ILE 14 6.389 2.009 4.206 111 HA ILE 14 HA ILE 14 4.235 0.902 5.756 112 HB ILE 14 HB ILE 14 3.451 -0.355 3.891 113 HG12 ILE 14 HG12 ILE 14 5.188 1.391 2.069 114 HG13 ILE 14 HG13 ILE 14 5.456 -0.323 2.413 115 HG21 ILE 14 HG21 ILE 14 3.346 2.648 3.235 116 HG22 ILE 14 HG22 ILE 14 2.101 1.428 2.893 117 HG23 ILE 14 HG23 ILE 14 2.450 1.879 4.552 118 HD11 ILE 14 HD11 ILE 14 3.243 -0.846 1.366 119 HD12 ILE 14 HD12 ILE 14 3.085 0.860 0.925 120 HD13 ILE 14 HD13 ILE 14 4.410 -0.096 0.262 121 H ASP 15 H ASP 15 4.998 -0.792 6.862 122 HA ASP 15 HA ASP 15 7.771 -1.711 6.429 123 HB2 ASP 15 HB2 ASP 15 7.043 -1.130 8.662 124 HB3 ASP 15 HB3 ASP 15 5.615 -2.170 8.538 125 H LEU 16 H LEU 16 8.189 -3.611 5.042 126 HA LEU 16 HA LEU 16 5.880 -5.457 4.823 127 HB2 LEU 16 HB2 LEU 16 7.895 -5.185 2.641 128 HB3 LEU 16 HB3 LEU 16 6.260 -5.767 2.557 129 HG LEU 16 HG LEU 16 7.087 -2.834 2.821 130 HD11 LEU 16 HD11 LEU 16 7.733 -3.892 0.661 131 HD12 LEU 16 HD12 LEU 16 6.497 -2.640 0.475 132 HD13 LEU 16 HD13 LEU 16 6.041 -4.360 0.397 133 HD21 LEU 16 HD21 LEU 16 4.686 -2.461 2.092 134 HD22 LEU 16 HD22 LEU 16 4.889 -3.091 3.723 135 HD23 LEU 16 HD23 LEU 16 4.384 -4.185 2.412 136 H ASN 17 H ASN 17 6.257 -7.645 4.745 137 HA ASN 17 HA ASN 17 8.880 -8.605 5.767 138 HB2 ASN 17 HB2 ASN 17 6.607 -9.324 6.740 139 HB3 ASN 17 HB3 ASN 17 6.375 -10.217 5.238 140 HD21 ASN 17 HD21 ASN 17 9.027 -9.789 7.674 141 HD22 ASN 17 HD22 ASN 17 9.442 -11.495 7.696 142 H GLU 18 H GLU 18 10.266 -9.993 4.625 143 HA GLU 18 HA GLU 18 10.095 -9.864 1.750 144 HB2 GLU 18 HB2 GLU 18 12.108 -11.059 3.709 145 HB3 GLU 18 HB3 GLU 18 12.275 -11.200 1.956 146 HG2 GLU 18 HG2 GLU 18 11.963 -8.614 1.912 147 HG3 GLU 18 HG3 GLU 18 12.372 -8.686 3.613 148 H GLU 19 H GLU 19 8.076 -11.842 3.278 149 HA GLU 19 HA GLU 19 9.135 -14.401 2.160 150 HB2 GLU 19 HB2 GLU 19 7.155 -13.782 4.381 151 HB3 GLU 19 HB3 GLU 19 7.278 -15.380 3.617 152 HG2 GLU 19 HG2 GLU 19 9.845 -15.200 4.091 153 HG3 GLU 19 HG3 GLU 19 9.426 -13.856 5.150 154 H TYR 20 H TYR 20 7.689 -11.981 0.874 155 HA TYR 20 HA TYR 20 5.435 -13.423 -0.412 156 HB2 TYR 20 HB2 TYR 20 5.763 -10.498 0.072 157 HB3 TYR 20 HB3 TYR 20 4.338 -11.320 -0.532 158 HD1 TYR 20 HD1 TYR 20 3.785 -13.496 1.219 159 HD2 TYR 20 HD2 TYR 20 5.297 -9.591 2.206 160 HE1 TYR 20 HE1 TYR 20 2.815 -13.706 3.518 161 HE2 TYR 20 HE2 TYR 20 4.338 -9.782 4.468 162 HH TYR 20 HH TYR 20 3.241 -12.746 5.791 163 H GLU 21 H GLU 21 5.552 -13.591 -2.522 164 HA GLU 21 HA GLU 21 7.663 -13.112 -4.252 165 HB2 GLU 21 HB2 GLU 21 5.572 -14.431 -4.768 166 HB3 GLU 21 HB3 GLU 21 4.720 -12.922 -5.024 167 HG2 GLU 21 HG2 GLU 21 5.284 -13.502 -7.203 168 HG3 GLU 21 HG3 GLU 21 6.509 -12.343 -6.821 169 H VAL 22 H VAL 22 4.856 -10.975 -3.727 170 HA VAL 22 HA VAL 22 5.603 -8.954 -5.522 171 HB VAL 22 HB VAL 22 3.389 -9.220 -4.601 172 HG11 VAL 22 HG11 VAL 22 3.839 -9.915 -2.302 173 HG12 VAL 22 HG12 VAL 22 4.401 -8.262 -1.936 174 HG13 VAL 22 HG13 VAL 22 2.713 -8.574 -2.407 175 HG21 VAL 22 HG21 VAL 22 2.782 -6.913 -4.263 176 HG22 VAL 22 HG22 VAL 22 4.446 -6.476 -3.848 177 HG23 VAL 22 HG23 VAL 22 4.059 -7.016 -5.494 178 H VAL 23 H VAL 23 6.779 -9.471 -2.148 179 HA VAL 23 HA VAL 23 7.977 -6.819 -2.043 180 HB VAL 23 HB VAL 23 8.210 -9.242 -0.235 181 HG11 VAL 23 HG11 VAL 23 10.235 -7.943 0.014 182 HG12 VAL 23 HG12 VAL 23 9.311 -6.418 0.098 183 HG13 VAL 23 HG13 VAL 23 9.191 -7.616 1.401 184 HG21 VAL 23 HG21 VAL 23 6.815 -7.778 1.261 185 HG22 VAL 23 HG22 VAL 23 6.702 -6.586 -0.044 186 HG23 VAL 23 HG23 VAL 23 5.970 -8.198 -0.214 187 H LYS 24 H LYS 24 9.113 -10.200 -2.693 188 HA LYS 24 HA LYS 24 11.820 -9.563 -3.168 189 HB2 LYS 24 HB2 LYS 24 10.050 -11.705 -4.437 190 HB3 LYS 24 HB3 LYS 24 11.820 -11.718 -4.421 191 HG2 LYS 24 HG2 LYS 24 11.886 -12.001 -2.033 192 HG3 LYS 24 HG3 LYS 24 10.164 -11.665 -1.849 193 HD2 LYS 24 HD2 LYS 24 9.665 -13.743 -3.194 194 HD3 LYS 24 HD3 LYS 24 11.404 -14.094 -3.119 195 HE2 LYS 24 HE2 LYS 24 11.193 -13.740 -0.562 196 HE3 LYS 24 HE3 LYS 24 9.439 -13.799 -0.793 197 HZ1 LYS 24 HZ1 LYS 24 9.723 -16.063 -1.630 198 HZ2 LYS 24 HZ2 LYS 24 10.377 -15.925 -0.132 199 HZ3 LYS 24 HZ3 LYS 24 11.355 -15.952 -1.438 200 H LEU 25 H LEU 25 8.996 -9.159 -5.246 201 HA LEU 25 HA LEU 25 10.651 -8.560 -7.619 202 HB2 LEU 25 HB2 LEU 25 7.650 -8.609 -7.066 203 HB3 LEU 25 HB3 LEU 25 8.323 -8.012 -8.580 204 HG LEU 25 HG LEU 25 8.443 -10.871 -7.518 205 HD11 LEU 25 HD11 LEU 25 7.137 -11.406 -9.420 206 HD12 LEU 25 HD12 LEU 25 7.370 -9.786 -10.147 207 HD13 LEU 25 HD13 LEU 25 6.410 -9.993 -8.670 208 HD21 LEU 25 HD21 LEU 25 10.599 -10.479 -8.491 209 HD22 LEU 25 HD22 LEU 25 9.908 -9.563 -9.858 210 HD23 LEU 25 HD23 LEU 25 9.644 -11.342 -9.696 211 H LEU 26 H LEU 26 8.675 -6.822 -5.211 212 HA LEU 26 HA LEU 26 8.872 -4.235 -6.312 213 HB2 LEU 26 HB2 LEU 26 8.559 -5.464 -3.576 214 HB3 LEU 26 HB3 LEU 26 9.029 -3.825 -3.648 215 HG LEU 26 HG LEU 26 6.525 -4.917 -4.984 216 HD11 LEU 26 HD11 LEU 26 6.804 -3.454 -2.333 217 HD12 LEU 26 HD12 LEU 26 6.396 -5.166 -2.556 218 HD13 LEU 26 HD13 LEU 26 5.281 -3.926 -3.125 219 HD21 LEU 26 HD21 LEU 26 7.275 -2.028 -4.375 220 HD22 LEU 26 HD22 LEU 26 5.775 -2.595 -5.146 221 HD23 LEU 26 HD23 LEU 26 7.321 -2.756 -5.985 222 H LYS 27 H LYS 27 11.240 -6.208 -4.441 223 HA LYS 27 HA LYS 27 12.967 -4.083 -3.822 224 HB2 LYS 27 HB2 LYS 27 13.059 -6.615 -3.126 225 HB3 LYS 27 HB3 LYS 27 14.044 -6.823 -4.582 226 HG2 LYS 27 HG2 LYS 27 15.578 -5.003 -3.769 227 HG3 LYS 27 HG3 LYS 27 14.568 -4.815 -2.347 228 HD2 LYS 27 HD2 LYS 27 16.251 -6.079 -1.493 229 HD3 LYS 27 HD3 LYS 27 15.130 -7.371 -1.936 230 HE2 LYS 27 HE2 LYS 27 16.372 -7.986 -3.832 231 HE3 LYS 27 HE3 LYS 27 17.191 -6.417 -3.935 232 HZ1 LYS 27 HZ1 LYS 27 17.603 -8.223 -1.651 233 HZ2 LYS 27 HZ2 LYS 27 18.520 -6.923 -2.095 234 HZ3 LYS 27 HZ3 LYS 27 18.536 -8.299 -3.021 235 H GLU 28 H GLU 28 12.443 -5.727 -6.837 236 HA GLU 28 HA GLU 28 14.919 -4.884 -8.105 237 HB2 GLU 28 HB2 GLU 28 12.405 -6.118 -9.250 238 HB3 GLU 28 HB3 GLU 28 13.924 -5.947 -10.103 239 HG2 GLU 28 HG2 GLU 28 13.650 -7.536 -7.485 240 HG3 GLU 28 HG3 GLU 28 13.421 -8.209 -9.061 241 H LYS 29 H LYS 29 11.960 -3.414 -7.369 242 HA LYS 29 HA LYS 29 12.121 -1.420 -9.572 243 HB2 LYS 29 HB2 LYS 29 9.544 -2.521 -8.411 244 HB3 LYS 29 HB3 LYS 29 9.765 -1.492 -9.826 245 HG2 LYS 29 HG2 LYS 29 10.566 -4.415 -9.605 246 HG3 LYS 29 HG3 LYS 29 9.130 -3.793 -10.389 247 HD2 LYS 29 HD2 LYS 29 11.682 -2.590 -11.399 248 HD3 LYS 29 HD3 LYS 29 11.562 -4.322 -11.607 249 HE2 LYS 29 HE2 LYS 29 10.241 -4.049 -13.367 250 HE3 LYS 29 HE3 LYS 29 9.006 -3.371 -12.327 251 HZ1 LYS 29 HZ1 LYS 29 10.246 -1.169 -12.609 252 HZ2 LYS 29 HZ2 LYS 29 9.483 -1.685 -13.968 253 HZ3 LYS 29 HZ3 LYS 29 11.095 -1.844 -13.794 254 H ILE 30 H ILE 30 13.133 -1.270 -6.690 255 HA ILE 30 HA ILE 30 11.563 1.114 -5.971 256 HB ILE 30 HB ILE 30 12.443 -1.055 -4.097 257 HG12 ILE 30 HG12 ILE 30 9.756 0.364 -4.211 258 HG13 ILE 30 HG13 ILE 30 10.091 -1.106 -5.110 259 HG21 ILE 30 HG21 ILE 30 11.357 1.638 -3.143 260 HG22 ILE 30 HG22 ILE 30 12.033 0.330 -2.166 261 HG23 ILE 30 HG23 ILE 30 13.099 1.268 -3.165 262 HD11 ILE 30 HD11 ILE 30 10.199 -0.787 -2.087 263 HD12 ILE 30 HD12 ILE 30 9.002 -1.673 -3.009 264 HD13 ILE 30 HD13 ILE 30 10.691 -2.256 -2.956 265 HA PRO 31 HA PRO 31 12.064 3.009 -4.641 266 HB2 PRO 31 HB2 PRO 31 13.024 5.430 -5.673 267 HB3 PRO 31 HB3 PRO 31 13.200 4.843 -3.998 268 HG2 PRO 31 HG2 PRO 31 15.215 4.893 -6.152 269 HG3 PRO 31 HG3 PRO 31 15.411 4.922 -4.356 270 HD2 PRO 31 HD2 PRO 31 15.851 2.683 -6.012 271 HD3 PRO 31 HD3 PRO 31 15.526 2.617 -4.260 272 H PHE 32 H PHE 32 10.435 4.212 -5.791 273 HA PHE 32 HA PHE 32 10.682 4.464 -8.602 274 HB2 PHE 32 HB2 PHE 32 8.838 3.235 -9.355 275 HB3 PHE 32 HB3 PHE 32 9.919 2.140 -8.565 276 HD1 PHE 32 HD1 PHE 32 9.268 1.351 -6.187 277 HD2 PHE 32 HD2 PHE 32 6.560 3.435 -8.743 278 HE1 PHE 32 HE1 PHE 32 7.378 0.122 -5.155 279 HE2 PHE 32 HE2 PHE 32 4.634 2.317 -7.668 280 HZ PHE 32 HZ PHE 32 5.047 0.569 -5.910 281 H GLU 33 H GLU 33 9.225 6.066 -9.371 282 HA GLU 33 HA GLU 33 7.512 7.243 -7.230 283 HB2 GLU 33 HB2 GLU 33 8.451 8.494 -9.820 284 HB3 GLU 33 HB3 GLU 33 7.537 9.258 -8.530 285 HG2 GLU 33 HG2 GLU 33 9.800 9.966 -8.280 286 HG3 GLU 33 HG3 GLU 33 9.405 8.873 -6.970 287 H SER 34 H SER 34 5.371 7.906 -7.879 288 HA SER 34 HA SER 34 4.183 6.503 -10.188 289 HB2 SER 34 HB2 SER 34 4.345 4.968 -8.002 290 HB3 SER 34 HB3 SER 34 2.886 5.899 -7.557 291 HG SER 34 HG SER 34 3.372 4.193 -9.751 292 H VAL 35 H VAL 35 1.803 6.867 -10.045 293 HA VAL 35 HA VAL 35 0.859 9.566 -9.674 294 HB VAL 35 HB VAL 35 -0.101 8.079 -11.158 295 HG11 VAL 35 HG11 VAL 35 -1.322 6.004 -10.714 296 HG12 VAL 35 HG12 VAL 35 0.422 5.913 -10.438 297 HG13 VAL 35 HG13 VAL 35 -0.697 6.060 -9.058 298 HG21 VAL 35 HG21 VAL 35 -2.351 8.361 -11.046 299 HG22 VAL 35 HG22 VAL 35 -2.379 8.136 -9.318 300 HG23 VAL 35 HG23 VAL 35 -1.703 9.638 -10.021 301 H VAL 36 H VAL 36 -0.909 10.079 -8.043 302 HA VAL 36 HA VAL 36 -1.197 7.917 -6.279 303 HB VAL 36 HB VAL 36 -1.725 10.910 -5.588 304 HG11 VAL 36 HG11 VAL 36 -1.484 9.016 -3.367 305 HG12 VAL 36 HG12 VAL 36 -2.447 10.497 -3.534 306 HG13 VAL 36 HG13 VAL 36 -2.994 9.033 -4.333 307 HG21 VAL 36 HG21 VAL 36 0.464 9.606 -4.036 308 HG22 VAL 36 HG22 VAL 36 0.807 10.212 -5.631 309 HG23 VAL 36 HG23 VAL 36 0.167 11.318 -4.430 310 H ASN 37 H ASN 37 -3.230 7.105 -6.425 311 HA ASN 37 HA ASN 37 -5.366 8.865 -7.553 312 HB2 ASN 37 HB2 ASN 37 -5.192 5.849 -7.519 313 HB3 ASN 37 HB3 ASN 37 -6.547 6.828 -8.108 314 HD21 ASN 37 HD21 ASN 37 -3.810 5.147 -9.018 315 HD22 ASN 37 HD22 ASN 37 -3.736 5.708 -10.693 316 H THR 38 H THR 38 -7.468 8.355 -6.316 317 HA THR 38 HA THR 38 -6.993 7.123 -3.661 318 HB THR 38 HB THR 38 -8.247 8.985 -2.634 319 HG1 THR 38 HG1 THR 38 -8.209 9.930 -5.283 320 HG21 THR 38 HG21 THR 38 -5.752 10.020 -4.059 321 HG22 THR 38 HG22 THR 38 -5.795 9.083 -2.558 322 HG23 THR 38 HG23 THR 38 -6.501 10.701 -2.606 323 H TRP 39 H TRP 39 -8.932 6.261 -2.671 324 HA TRP 39 HA TRP 39 -11.362 6.085 -4.386 325 HB2 TRP 39 HB2 TRP 39 -9.937 4.395 -5.323 326 HB3 TRP 39 HB3 TRP 39 -9.492 3.802 -3.732 327 HD1 TRP 39 HD1 TRP 39 -12.401 3.790 -6.222 328 HE1 TRP 39 HE1 TRP 39 -13.776 1.648 -5.852 329 HE3 TRP 39 HE3 TRP 39 -10.180 2.124 -1.921 330 HZ2 TRP 39 HZ2 TRP 39 -14.119 -0.308 -3.703 331 HZ3 TRP 39 HZ3 TRP 39 -11.039 0.130 -0.746 332 HH2 TRP 39 HH2 TRP 39 -12.956 -1.109 -1.629 333 H GLY 40 H GLY 40 -12.326 7.262 -2.547 334 HA2 GLY 40 HA2 GLY 40 -13.544 7.237 -0.596 335 HA3 GLY 40 HA3 GLY 40 -13.717 5.539 -0.974 336 H GLU 41 H GLU 41 -11.497 7.765 0.479 337 HA GLU 41 HA GLU 41 -10.066 7.806 2.266 338 HB2 GLU 41 HB2 GLU 41 -12.378 6.230 3.267 339 HB3 GLU 41 HB3 GLU 41 -10.885 6.075 4.219 340 HG2 GLU 41 HG2 GLU 41 -10.692 8.308 4.601 341 HG3 GLU 41 HG3 GLU 41 -11.816 8.786 3.304 342 H GLU 42 H GLU 42 -9.321 6.413 0.027 343 HA GLU 42 HA GLU 42 -7.164 4.716 1.120 344 HB2 GLU 42 HB2 GLU 42 -9.153 3.363 0.087 345 HB3 GLU 42 HB3 GLU 42 -8.839 4.265 -1.391 346 HG2 GLU 42 HG2 GLU 42 -7.597 2.606 -2.094 347 HG3 GLU 42 HG3 GLU 42 -6.382 3.104 -0.899 348 H ILE 43 H ILE 43 -5.319 4.803 -0.114 349 HA ILE 43 HA ILE 43 -5.280 6.515 -2.545 350 HB ILE 43 HB ILE 43 -3.145 6.063 -0.458 351 HG12 ILE 43 HG12 ILE 43 -3.741 8.784 -1.594 352 HG13 ILE 43 HG13 ILE 43 -4.950 8.087 -0.509 353 HG21 ILE 43 HG21 ILE 43 -1.591 7.333 -1.983 354 HG22 ILE 43 HG22 ILE 43 -2.000 5.752 -2.589 355 HG23 ILE 43 HG23 ILE 43 -2.772 7.167 -3.295 356 HD11 ILE 43 HD11 ILE 43 -3.350 9.412 0.749 357 HD12 ILE 43 HD12 ILE 43 -3.267 7.687 1.195 358 HD13 ILE 43 HD13 ILE 43 -2.007 8.421 0.143 359 H TYR 44 H TYR 44 -4.496 5.410 -4.327 360 HA TYR 44 HA TYR 44 -3.115 2.868 -3.873 361 HB2 TYR 44 HB2 TYR 44 -4.343 1.672 -5.510 362 HB3 TYR 44 HB3 TYR 44 -5.443 2.159 -4.271 363 HD1 TYR 44 HD1 TYR 44 -7.005 4.184 -4.882 364 HD2 TYR 44 HD2 TYR 44 -4.559 2.196 -7.821 365 HE1 TYR 44 HE1 TYR 44 -8.372 5.173 -6.701 366 HE2 TYR 44 HE2 TYR 44 -5.961 3.123 -9.632 367 HH TYR 44 HH TYR 44 -8.448 5.589 -9.003 368 H PHE 45 H PHE 45 -1.830 2.288 -5.863 369 HA PHE 45 HA PHE 45 -1.660 4.339 -7.931 370 HB2 PHE 45 HB2 PHE 45 0.815 4.605 -7.598 371 HB3 PHE 45 HB3 PHE 45 -0.236 5.418 -6.458 372 HD1 PHE 45 HD1 PHE 45 -0.417 4.751 -4.159 373 HD2 PHE 45 HD2 PHE 45 2.281 2.717 -6.830 374 HE1 PHE 45 HE1 PHE 45 0.888 3.933 -2.204 375 HE2 PHE 45 HE2 PHE 45 3.613 1.932 -4.858 376 HZ PHE 45 HZ PHE 45 2.937 2.567 -2.554 377 H SER 46 H SER 46 -0.065 3.676 -9.636 378 HA SER 46 HA SER 46 -0.732 0.860 -10.216 379 HB2 SER 46 HB2 SER 46 -1.465 2.597 -11.781 380 HB3 SER 46 HB3 SER 46 0.207 3.163 -11.965 381 HG SER 46 HG SER 46 -1.066 1.389 -13.370 382 H THR 47 H THR 47 0.799 -0.275 -9.122 383 HA THR 47 HA THR 47 3.538 0.454 -8.964 384 HB THR 47 HB THR 47 3.816 -1.865 -8.141 385 HG1 THR 47 HG1 THR 47 2.273 -3.032 -9.301 386 HG21 THR 47 HG21 THR 47 1.313 -0.583 -6.943 387 HG22 THR 47 HG22 THR 47 2.960 -0.009 -6.647 388 HG23 THR 47 HG23 THR 47 2.481 -1.639 -6.135 389 HA PRO 48 HA PRO 48 5.136 -0.994 -12.820 390 HB2 PRO 48 HB2 PRO 48 7.741 -1.394 -12.141 391 HB3 PRO 48 HB3 PRO 48 7.031 0.231 -12.255 392 HG2 PRO 48 HG2 PRO 48 7.493 -1.460 -9.787 393 HG3 PRO 48 HG3 PRO 48 7.878 0.283 -10.026 394 HD2 PRO 48 HD2 PRO 48 5.618 -0.590 -8.771 395 HD3 PRO 48 HD3 PRO 48 5.606 0.874 -9.787 396 H VAL 49 H VAL 49 5.377 -2.874 -9.886 397 HA VAL 49 HA VAL 49 5.871 -5.446 -11.263 398 HB VAL 49 HB VAL 49 7.042 -5.177 -9.168 399 HG11 VAL 49 HG11 VAL 49 5.907 -4.808 -7.022 400 HG12 VAL 49 HG12 VAL 49 5.834 -3.391 -8.058 401 HG13 VAL 49 HG13 VAL 49 4.396 -4.433 -7.858 402 HG21 VAL 49 HG21 VAL 49 4.620 -6.930 -8.616 403 HG22 VAL 49 HG22 VAL 49 6.068 -7.395 -9.555 404 HG23 VAL 49 HG23 VAL 49 6.198 -7.004 -7.828 405 H ASN 50 H ASN 50 4.294 -6.999 -11.364 406 HA ASN 50 HA ASN 50 1.597 -6.467 -10.387 407 HB2 ASN 50 HB2 ASN 50 2.052 -7.764 -13.112 408 HB3 ASN 50 HB3 ASN 50 0.546 -7.332 -12.346 409 HD21 ASN 50 HD21 ASN 50 2.247 -6.511 -14.986 410 HD22 ASN 50 HD22 ASN 50 1.899 -4.802 -14.998 411 H VAL 51 H VAL 51 1.008 -8.519 -9.184 412 HA VAL 51 HA VAL 51 2.053 -11.039 -10.087 413 HB VAL 51 HB VAL 51 2.197 -11.496 -7.696 414 HG11 VAL 51 HG11 VAL 51 4.258 -9.470 -8.543 415 HG12 VAL 51 HG12 VAL 51 4.476 -10.730 -7.301 416 HG13 VAL 51 HG13 VAL 51 4.259 -11.184 -9.004 417 HG21 VAL 51 HG21 VAL 51 2.748 -8.742 -6.829 418 HG22 VAL 51 HG22 VAL 51 1.060 -9.186 -7.041 419 HG23 VAL 51 HG23 VAL 51 2.079 -10.172 -5.971 420 H GLN 52 H GLN 52 0.620 -12.698 -8.720 421 HA GLN 52 HA GLN 52 -1.988 -11.521 -7.932 422 HB2 GLN 52 HB2 GLN 52 -1.516 -13.899 -9.755 423 HB3 GLN 52 HB3 GLN 52 -3.074 -13.453 -9.036 424 HG2 GLN 52 HG2 GLN 52 -2.989 -11.270 -10.218 425 HG3 GLN 52 HG3 GLN 52 -1.474 -11.739 -10.975 426 HE21 GLN 52 HE21 GLN 52 -4.961 -12.212 -10.989 427 HE22 GLN 52 HE22 GLN 52 -5.015 -13.220 -12.392 428 H LYS 53 H LYS 53 0.567 -12.751 -6.621 429 HA LYS 53 HA LYS 53 -0.547 -15.092 -5.247 430 HB2 LYS 53 HB2 LYS 53 1.811 -14.883 -6.207 431 HB3 LYS 53 HB3 LYS 53 2.199 -13.812 -4.873 432 HG2 LYS 53 HG2 LYS 53 1.930 -15.507 -3.238 433 HG3 LYS 53 HG3 LYS 53 0.945 -16.518 -4.312 434 HD2 LYS 53 HD2 LYS 53 2.889 -17.046 -5.690 435 HD3 LYS 53 HD3 LYS 53 3.922 -16.019 -4.687 436 HE2 LYS 53 HE2 LYS 53 2.442 -17.802 -2.948 437 HE3 LYS 53 HE3 LYS 53 3.082 -18.776 -4.266 438 HZ1 LYS 53 HZ1 LYS 53 5.284 -18.060 -3.720 439 HZ2 LYS 53 HZ2 LYS 53 4.559 -18.590 -2.363 440 HZ3 LYS 53 HZ3 LYS 53 4.732 -16.986 -2.584 441 H MET 54 H MET 54 -1.335 -15.176 -3.128 442 HA MET 54 HA MET 54 -0.626 -13.089 -1.275 443 HB2 MET 54 HB2 MET 54 -2.892 -12.945 -0.377 444 HB3 MET 54 HB3 MET 54 -2.616 -12.154 -1.920 445 HG2 MET 54 HG2 MET 54 -3.970 -14.854 -1.671 446 HG3 MET 54 HG3 MET 54 -4.780 -13.314 -1.503 447 HE1 MET 54 HE1 MET 54 -4.618 -16.022 -3.403 448 HE2 MET 54 HE2 MET 54 -4.839 -15.568 -5.096 449 HE3 MET 54 HE3 MET 54 -3.199 -15.714 -4.439 450 H GLU 55 H GLU 55 0.506 -14.188 0.046 451 HA GLU 55 HA GLU 55 -0.162 -16.797 1.173 452 HB2 GLU 55 HB2 GLU 55 1.954 -14.681 1.452 453 HB3 GLU 55 HB3 GLU 55 1.832 -15.892 2.716 454 HG2 GLU 55 HG2 GLU 55 2.094 -16.569 -0.245 455 HG3 GLU 55 HG3 GLU 55 3.457 -16.444 0.866 456 H ASN 56 H ASN 56 -1.225 -13.576 1.981 457 HA ASN 56 HA ASN 56 -2.440 -14.703 4.455 458 HB2 ASN 56 HB2 ASN 56 -0.389 -13.490 5.166 459 HB3 ASN 56 HB3 ASN 56 -0.980 -12.094 4.308 460 HD21 ASN 56 HD21 ASN 56 -0.926 -10.826 6.204 461 HD22 ASN 56 HD22 ASN 56 -2.154 -10.997 7.461 462 HA PRO 57 HA PRO 57 -5.228 -12.265 1.632 463 HB2 PRO 57 HB2 PRO 57 -7.156 -14.167 1.167 464 HB3 PRO 57 HB3 PRO 57 -5.665 -14.031 0.227 465 HG2 PRO 57 HG2 PRO 57 -6.256 -15.942 2.482 466 HG3 PRO 57 HG3 PRO 57 -5.423 -16.255 0.923 467 HD2 PRO 57 HD2 PRO 57 -4.087 -15.818 3.294 468 HD3 PRO 57 HD3 PRO 57 -3.435 -15.377 1.687 469 H ARG 58 H ARG 58 -6.156 -10.824 3.127 470 HA ARG 58 HA ARG 58 -8.142 -12.033 5.046 471 HB2 ARG 58 HB2 ARG 58 -6.781 -9.359 5.465 472 HB3 ARG 58 HB3 ARG 58 -7.977 -10.138 6.456 473 HG2 ARG 58 HG2 ARG 58 -5.679 -11.918 6.186 474 HG3 ARG 58 HG3 ARG 58 -5.143 -10.294 6.610 475 HD2 ARG 58 HD2 ARG 58 -7.018 -10.311 8.387 476 HD3 ARG 58 HD3 ARG 58 -7.099 -12.056 8.130 477 HE ARG 58 HE ARG 58 -5.004 -10.470 9.430 478 HH11 ARG 58 HH11 ARG 58 -5.669 -13.732 8.008 479 HH12 ARG 58 HH12 ARG 58 -4.746 -14.497 9.273 480 HH21 ARG 58 HH21 ARG 58 -3.597 -11.620 10.827 481 HH22 ARG 58 HH22 ARG 58 -3.307 -13.304 10.541 482 H GLU 59 H GLU 59 -10.137 -11.242 5.060 483 HA GLU 59 HA GLU 59 -10.929 -9.443 2.823 484 HB2 GLU 59 HB2 GLU 59 -12.352 -11.461 4.572 485 HB3 GLU 59 HB3 GLU 59 -13.253 -10.185 3.745 486 HG2 GLU 59 HG2 GLU 59 -12.281 -10.780 1.587 487 HG3 GLU 59 HG3 GLU 59 -11.456 -12.167 2.376 488 H VAL 60 H VAL 60 -9.864 -8.894 5.897 489 HA VAL 60 HA VAL 60 -10.863 -6.239 5.798 490 HB VAL 60 HB VAL 60 -12.581 -7.192 6.937 491 HG11 VAL 60 HG11 VAL 60 -10.771 -8.804 8.679 492 HG12 VAL 60 HG12 VAL 60 -12.547 -8.621 8.863 493 HG13 VAL 60 HG13 VAL 60 -11.901 -9.364 7.403 494 HG21 VAL 60 HG21 VAL 60 -12.493 -6.325 9.301 495 HG22 VAL 60 HG22 VAL 60 -10.744 -6.234 9.193 496 HG23 VAL 60 HG23 VAL 60 -11.751 -5.179 8.191 497 H VAL 61 H VAL 61 -9.676 -4.832 7.183 498 HA VAL 61 HA VAL 61 -7.021 -5.710 8.097 499 HB VAL 61 HB VAL 61 -5.971 -4.026 6.649 500 HG11 VAL 61 HG11 VAL 61 -6.000 -5.181 4.585 501 HG12 VAL 61 HG12 VAL 61 -6.346 -6.405 5.839 502 HG13 VAL 61 HG13 VAL 61 -7.656 -5.772 4.824 503 HG21 VAL 61 HG21 VAL 61 -7.255 -3.027 4.752 504 HG22 VAL 61 HG22 VAL 61 -8.750 -3.623 5.448 505 HG23 VAL 61 HG23 VAL 61 -7.777 -2.411 6.322 506 H GLU 62 H GLU 62 -5.958 -3.361 8.836 507 HA GLU 62 HA GLU 62 -7.982 -2.090 10.620 508 HB2 GLU 62 HB2 GLU 62 -4.959 -2.226 10.727 509 HB3 GLU 62 HB3 GLU 62 -5.949 -1.305 11.840 510 HG2 GLU 62 HG2 GLU 62 -6.758 -4.150 11.565 511 HG3 GLU 62 HG3 GLU 62 -5.176 -3.839 12.249 512 H ILE 63 H ILE 63 -7.326 0.188 11.184 513 HA ILE 63 HA ILE 63 -7.490 1.942 8.871 514 HB ILE 63 HB ILE 63 -7.106 2.746 11.791 515 HG12 ILE 63 HG12 ILE 63 -9.747 2.423 10.379 516 HG13 ILE 63 HG13 ILE 63 -9.084 1.185 11.473 517 HG21 ILE 63 HG21 ILE 63 -6.997 4.768 10.696 518 HG22 ILE 63 HG22 ILE 63 -7.888 4.188 9.273 519 HG23 ILE 63 HG23 ILE 63 -8.750 4.690 10.708 520 HD11 ILE 63 HD11 ILE 63 -8.925 2.994 13.249 521 HD12 ILE 63 HD12 ILE 63 -10.028 3.922 12.240 522 HD13 ILE 63 HD13 ILE 63 -10.530 2.341 12.854 523 H GLY 64 H GLY 64 -4.931 0.374 9.587 524 HA2 GLY 64 HA2 GLY 64 -3.031 2.308 8.707 525 HA3 GLY 64 HA3 GLY 64 -2.761 1.912 10.428 526 H ASP 65 H ASP 65 -4.011 -0.116 7.808 527 HA ASP 65 HA ASP 65 -1.587 -1.835 7.875 528 HB2 ASP 65 HB2 ASP 65 -4.522 -2.466 7.472 529 HB3 ASP 65 HB3 ASP 65 -3.316 -3.550 6.847 530 H VAL 66 H VAL 66 -1.911 -3.110 5.514 531 HA VAL 66 HA VAL 66 -2.289 -1.051 3.400 532 HB VAL 66 HB VAL 66 0.149 -2.845 3.885 533 HG11 VAL 66 HG11 VAL 66 1.285 -1.626 2.104 534 HG12 VAL 66 HG12 VAL 66 -0.095 -2.530 1.492 535 HG13 VAL 66 HG13 VAL 66 -0.222 -0.772 1.706 536 HG21 VAL 66 HG21 VAL 66 0.070 -0.968 5.461 537 HG22 VAL 66 HG22 VAL 66 1.331 -0.671 4.272 538 HG23 VAL 66 HG23 VAL 66 -0.247 0.146 4.112 539 H GLY 67 H GLY 67 -2.334 -2.126 1.278 540 HA2 GLY 67 HA2 GLY 67 -2.533 -5.063 1.329 541 HA3 GLY 67 HA3 GLY 67 -3.978 -4.244 0.771 542 H TYR 68 H TYR 68 -2.876 -5.898 -0.962 543 HA TYR 68 HA TYR 68 -1.781 -4.134 -3.033 544 HB2 TYR 68 HB2 TYR 68 -0.248 -5.587 -3.841 545 HB3 TYR 68 HB3 TYR 68 -0.101 -5.979 -2.144 546 HD1 TYR 68 HD1 TYR 68 -2.216 -7.853 -1.548 547 HD2 TYR 68 HD2 TYR 68 0.010 -7.459 -5.219 548 HE1 TYR 68 HE1 TYR 68 -2.969 -10.092 -2.231 549 HE2 TYR 68 HE2 TYR 68 -0.676 -9.761 -5.857 550 HH TYR 68 HH TYR 68 -2.987 -11.702 -4.057 551 H TRP 69 H TRP 69 -2.848 -4.382 -5.017 552 HA TRP 69 HA TRP 69 -5.300 -6.019 -4.934 553 HB2 TRP 69 HB2 TRP 69 -5.485 -3.415 -4.656 554 HB3 TRP 69 HB3 TRP 69 -5.218 -3.397 -6.371 555 HD1 TRP 69 HD1 TRP 69 -7.422 -5.607 -4.061 556 HE1 TRP 69 HE1 TRP 69 -9.811 -5.644 -4.944 557 HE3 TRP 69 HE3 TRP 69 -6.886 -2.443 -8.059 558 HZ2 TRP 69 HZ2 TRP 69 -11.347 -4.375 -6.947 559 HZ3 TRP 69 HZ3 TRP 69 -8.894 -1.767 -9.350 560 HH2 TRP 69 HH2 TRP 69 -11.141 -2.687 -8.787 561 HA PRO 70 HA PRO 70 -2.685 -7.349 -8.454 562 HB2 PRO 70 HB2 PRO 70 -3.684 -9.883 -8.659 563 HB3 PRO 70 HB3 PRO 70 -2.456 -9.361 -7.480 564 HG2 PRO 70 HG2 PRO 70 -5.296 -9.949 -6.945 565 HG3 PRO 70 HG3 PRO 70 -3.876 -10.255 -5.955 566 HD2 PRO 70 HD2 PRO 70 -5.558 -8.031 -5.699 567 HD3 PRO 70 HD3 PRO 70 -3.974 -8.129 -5.028 568 HA PRO 71 HA PRO 71 -6.586 -8.372 -10.953 569 HB2 PRO 71 HB2 PRO 71 -9.065 -7.537 -10.230 570 HB3 PRO 71 HB3 PRO 71 -8.332 -9.054 -9.657 571 HG2 PRO 71 HG2 PRO 71 -8.537 -6.429 -8.182 572 HG3 PRO 71 HG3 PRO 71 -8.637 -8.099 -7.481 573 HD2 PRO 71 HD2 PRO 71 -6.492 -6.663 -7.289 574 HD3 PRO 71 HD3 PRO 71 -6.516 -8.458 -7.427 575 H GLY 72 H GLY 72 -6.572 -5.191 -9.339 576 HA2 GLY 72 HA2 GLY 72 -6.763 -3.827 -11.988 577 HA3 GLY 72 HA3 GLY 72 -7.204 -3.124 -10.441 578 H LYS 73 H LYS 73 -4.278 -5.059 -10.536 579 HA LYS 73 HA LYS 73 -2.084 -4.524 -10.140 580 HB2 LYS 73 HB2 LYS 73 -2.765 -2.853 -12.584 581 HB3 LYS 73 HB3 LYS 73 -1.122 -3.200 -12.054 582 HG2 LYS 73 HG2 LYS 73 -1.252 -5.477 -12.540 583 HG3 LYS 73 HG3 LYS 73 -3.006 -5.535 -12.502 584 HD2 LYS 73 HD2 LYS 73 -1.595 -3.861 -14.594 585 HD3 LYS 73 HD3 LYS 73 -1.820 -5.612 -14.820 586 HE2 LYS 73 HE2 LYS 73 -4.190 -5.460 -14.634 587 HE3 LYS 73 HE3 LYS 73 -4.130 -3.796 -14.038 588 HZ1 LYS 73 HZ1 LYS 73 -4.802 -4.029 -16.386 589 HZ2 LYS 73 HZ2 LYS 73 -3.237 -4.482 -16.767 590 HZ3 LYS 73 HZ3 LYS 73 -3.562 -3.014 -16.161 591 H ALA 74 H ALA 74 -2.911 -3.416 -8.066 592 HA ALA 74 HA ALA 74 -1.874 -0.663 -8.052 593 HB1 ALA 74 HB1 ALA 74 -4.287 -0.434 -8.524 594 HB2 ALA 74 HB2 ALA 74 -4.669 -1.394 -7.085 595 HB3 ALA 74 HB3 ALA 74 -3.878 0.175 -6.916 596 H LEU 75 H LEU 75 -1.404 0.136 -5.969 597 HA LEU 75 HA LEU 75 -1.110 -1.814 -3.751 598 HB2 LEU 75 HB2 LEU 75 0.439 0.343 -4.410 599 HB3 LEU 75 HB3 LEU 75 -0.708 1.155 -3.359 600 HG LEU 75 HG LEU 75 0.009 -1.276 -2.020 601 HD11 LEU 75 HD11 LEU 75 2.424 -1.177 -1.889 602 HD12 LEU 75 HD12 LEU 75 2.480 0.172 -3.052 603 HD13 LEU 75 HD13 LEU 75 1.934 -1.425 -3.573 604 HD21 LEU 75 HD21 LEU 75 0.990 0.131 -0.325 605 HD22 LEU 75 HD22 LEU 75 -0.523 0.823 -0.910 606 HD23 LEU 75 HD23 LEU 75 1.018 1.517 -1.430 607 H CYS 76 H CYS 76 -2.101 -0.816 -1.494 608 HA CYS 76 HA CYS 76 -4.243 1.128 -1.823 609 HB2 CYS 76 HB2 CYS 76 -4.710 -1.668 -0.846 610 HB3 CYS 76 HB3 CYS 76 -5.677 -0.393 -0.216 611 HG CYS 76 HG CYS 76 -7.182 -0.088 -1.978 612 H LEU 77 H LEU 77 -4.829 1.961 0.310 613 HA LEU 77 HA LEU 77 -2.878 1.615 2.504 614 HB2 LEU 77 HB2 LEU 77 -3.314 4.130 0.829 615 HB3 LEU 77 HB3 LEU 77 -2.565 4.173 2.412 616 HG LEU 77 HG LEU 77 -1.456 2.467 0.149 617 HD11 LEU 77 HD11 LEU 77 -1.157 5.412 0.599 618 HD12 LEU 77 HD12 LEU 77 -1.376 4.468 -0.887 619 HD13 LEU 77 HD13 LEU 77 0.187 4.468 -0.062 620 HD21 LEU 77 HD21 LEU 77 -0.157 3.578 2.666 621 HD22 LEU 77 HD22 LEU 77 0.616 2.567 1.424 622 HD23 LEU 77 HD23 LEU 77 -0.674 1.901 2.416 623 H PHE 78 H PHE 78 -4.330 1.344 4.169 624 HA PHE 78 HA PHE 78 -7.001 2.534 3.867 625 HB2 PHE 78 HB2 PHE 78 -5.931 0.366 5.720 626 HB3 PHE 78 HB3 PHE 78 -7.619 0.825 5.537 627 HD1 PHE 78 HD1 PHE 78 -8.674 0.573 3.170 628 HD2 PHE 78 HD2 PHE 78 -4.937 -1.248 4.266 629 HE1 PHE 78 HE1 PHE 78 -8.918 -1.028 1.308 630 HE2 PHE 78 HE2 PHE 78 -5.191 -2.887 2.425 631 HZ PHE 78 HZ PHE 78 -7.210 -2.796 0.939 632 H PHE 79 H PHE 79 -7.313 4.455 4.846 633 HA PHE 79 HA PHE 79 -6.391 4.819 7.627 634 HB2 PHE 79 HB2 PHE 79 -5.565 7.074 7.146 635 HB3 PHE 79 HB3 PHE 79 -4.665 5.796 6.397 636 HD1 PHE 79 HD1 PHE 79 -4.856 5.450 3.902 637 HD2 PHE 79 HD2 PHE 79 -6.910 8.666 5.860 638 HE1 PHE 79 HE1 PHE 79 -5.185 6.533 1.724 639 HE2 PHE 79 HE2 PHE 79 -7.260 9.788 3.643 640 HZ PHE 79 HZ PHE 79 -6.375 8.752 1.586 641 H GLY 80 H GLY 80 -9.066 4.310 6.357 642 HA2 GLY 80 HA2 GLY 80 -10.218 4.980 8.600 643 HA3 GLY 80 HA3 GLY 80 -10.562 6.481 7.764 644 H LYS 81 H LYS 81 -10.588 3.134 6.691 645 HA LYS 81 HA LYS 81 -12.197 1.603 6.151 646 HB2 LYS 81 HB2 LYS 81 -13.526 2.558 8.068 647 HB3 LYS 81 HB3 LYS 81 -14.348 3.602 6.902 648 HG2 LYS 81 HG2 LYS 81 -15.424 1.793 5.850 649 HG3 LYS 81 HG3 LYS 81 -14.372 0.590 6.608 650 HD2 LYS 81 HD2 LYS 81 -15.534 0.601 8.581 651 HD3 LYS 81 HD3 LYS 81 -15.875 2.326 8.534 652 HE2 LYS 81 HE2 LYS 81 -17.252 0.439 6.604 653 HE3 LYS 81 HE3 LYS 81 -17.859 0.650 8.257 654 HZ1 LYS 81 HZ1 LYS 81 -18.805 2.110 6.502 655 HZ2 LYS 81 HZ2 LYS 81 -17.412 2.936 6.459 656 HZ3 LYS 81 HZ3 LYS 81 -18.288 2.869 7.887 657 H THR 82 H THR 82 -14.197 1.584 4.339 658 HA THR 82 HA THR 82 -13.378 3.346 2.122 659 HB THR 82 HB THR 82 -12.954 0.864 0.993 660 HG1 THR 82 HG1 THR 82 -12.810 -0.588 2.520 661 HG21 THR 82 HG21 THR 82 -10.513 1.192 1.256 662 HG22 THR 82 HG22 THR 82 -10.813 2.431 2.476 663 HG23 THR 82 HG23 THR 82 -11.355 2.687 0.819 664 HA PRO 83 HA PRO 83 -17.503 2.613 0.998 665 HB2 PRO 83 HB2 PRO 83 -17.530 2.751 -1.743 666 HB3 PRO 83 HB3 PRO 83 -17.061 4.123 -0.696 667 HG2 PRO 83 HG2 PRO 83 -15.229 2.085 -2.022 668 HG3 PRO 83 HG3 PRO 83 -15.138 3.878 -2.121 669 HD2 PRO 83 HD2 PRO 83 -13.639 2.550 -0.328 670 HD3 PRO 83 HD3 PRO 83 -14.491 4.045 0.158 671 H MET 84 H MET 84 -15.672 -0.017 0.920 672 HA MET 84 HA MET 84 -17.577 -1.760 -0.555 673 HB2 MET 84 HB2 MET 84 -15.093 -1.090 -1.479 674 HB3 MET 84 HB3 MET 84 -14.695 -2.557 -0.607 675 HG2 MET 84 HG2 MET 84 -16.925 -2.346 -2.685 676 HG3 MET 84 HG3 MET 84 -15.247 -2.641 -3.100 677 HE1 MET 84 HE1 MET 84 -18.591 -4.259 -2.293 678 HE2 MET 84 HE2 MET 84 -18.178 -5.691 -1.334 679 HE3 MET 84 HE3 MET 84 -18.003 -4.081 -0.622 680 H SER 85 H SER 85 -17.956 -1.143 2.030 681 HA SER 85 HA SER 85 -17.811 -3.621 3.394 682 HB2 SER 85 HB2 SER 85 -15.510 -2.603 3.897 683 HB3 SER 85 HB3 SER 85 -16.337 -1.248 4.649 684 HG SER 85 HG SER 85 -16.035 -2.484 6.291 685 H ASP 86 H ASP 86 -18.761 -3.020 5.719 686 HA ASP 86 HA ASP 86 -20.173 -0.461 5.885 687 HB2 ASP 86 HB2 ASP 86 -21.588 -3.086 5.567 688 HB3 ASP 86 HB3 ASP 86 -22.135 -2.065 6.884 689 H ASP 87 H ASP 87 -19.287 -3.569 7.380 690 HA ASP 87 HA ASP 87 -19.980 -2.570 10.056 691 HB2 ASP 87 HB2 ASP 87 -18.878 -5.168 8.949 692 HB3 ASP 87 HB3 ASP 87 -18.932 -4.891 10.684 693 H LYS 88 H LYS 88 -17.074 -3.149 8.222 694 HA LYS 88 HA LYS 88 -15.180 -2.389 10.355 695 HB2 LYS 88 HB2 LYS 88 -14.032 -4.539 10.217 696 HB3 LYS 88 HB3 LYS 88 -15.704 -4.792 10.658 697 HG2 LYS 88 HG2 LYS 88 -16.103 -5.181 8.082 698 HG3 LYS 88 HG3 LYS 88 -14.346 -5.233 7.987 699 HD2 LYS 88 HD2 LYS 88 -14.954 -7.459 8.074 700 HD3 LYS 88 HD3 LYS 88 -14.502 -7.158 9.753 701 HE2 LYS 88 HE2 LYS 88 -17.366 -6.884 8.732 702 HE3 LYS 88 HE3 LYS 88 -16.707 -8.446 9.204 703 HZ1 LYS 88 HZ1 LYS 88 -17.932 -7.412 10.919 704 HZ2 LYS 88 HZ2 LYS 88 -16.931 -6.115 11.004 705 HZ3 LYS 88 HZ3 LYS 88 -16.357 -7.613 11.411 706 H ILE 89 H ILE 89 -12.812 -3.126 8.922 707 HA ILE 89 HA ILE 89 -13.133 -1.443 6.477 708 HB ILE 89 HB ILE 89 -10.707 -2.193 8.105 709 HG12 ILE 89 HG12 ILE 89 -11.959 0.570 8.033 710 HG13 ILE 89 HG13 ILE 89 -12.586 -0.608 9.155 711 HG21 ILE 89 HG21 ILE 89 -11.067 -0.239 5.784 712 HG22 ILE 89 HG22 ILE 89 -9.646 -0.261 6.861 713 HG23 ILE 89 HG23 ILE 89 -10.019 -1.656 5.867 714 HD11 ILE 89 HD11 ILE 89 -9.758 0.410 9.060 715 HD12 ILE 89 HD12 ILE 89 -11.011 0.599 10.319 716 HD13 ILE 89 HD13 ILE 89 -10.273 -0.987 10.040 717 H GLN 90 H GLN 90 -14.231 -3.380 5.483 718 HA GLN 90 HA GLN 90 -12.498 -5.519 4.590 719 HB2 GLN 90 HB2 GLN 90 -15.250 -4.699 3.562 720 HB3 GLN 90 HB3 GLN 90 -14.415 -6.200 3.203 721 HG2 GLN 90 HG2 GLN 90 -14.482 -6.849 5.564 722 HG3 GLN 90 HG3 GLN 90 -15.168 -5.314 6.003 723 HE21 GLN 90 HE21 GLN 90 -16.005 -8.320 5.998 724 HE22 GLN 90 HE22 GLN 90 -17.736 -8.167 5.751 725 HA PRO 91 HA PRO 91 -11.107 -3.119 1.002 726 HB2 PRO 91 HB2 PRO 91 -9.694 -5.012 -0.305 727 HB3 PRO 91 HB3 PRO 91 -9.117 -4.390 1.260 728 HG2 PRO 91 HG2 PRO 91 -10.632 -6.946 0.733 729 HG3 PRO 91 HG3 PRO 91 -9.238 -6.709 1.824 730 HD2 PRO 91 HD2 PRO 91 -11.893 -6.751 2.590 731 HD3 PRO 91 HD3 PRO 91 -10.612 -5.878 3.503 732 H ALA 92 H ALA 92 -11.075 -3.404 -1.449 733 HA ALA 92 HA ALA 92 -13.570 -4.223 -2.356 734 HB1 ALA 92 HB1 ALA 92 -12.658 -3.835 -4.644 735 HB2 ALA 92 HB2 ALA 92 -12.262 -2.541 -3.515 736 HB3 ALA 92 HB3 ALA 92 -11.027 -3.739 -3.950 737 H SER 93 H SER 93 -10.962 -6.406 -1.732 738 HA SER 93 HA SER 93 -12.312 -8.597 -3.119 739 HB2 SER 93 HB2 SER 93 -11.113 -6.891 -4.890 740 HB3 SER 93 HB3 SER 93 -9.664 -7.696 -4.310 741 HG SER 93 HG SER 93 -10.856 -8.381 -6.324 742 H ALA 94 H ALA 94 -10.636 -7.950 -0.739 743 HA ALA 94 HA ALA 94 -9.517 -9.199 0.860 744 HB1 ALA 94 HB1 ALA 94 -9.326 -11.573 0.769 745 HB2 ALA 94 HB2 ALA 94 -10.910 -11.146 0.050 746 HB3 ALA 94 HB3 ALA 94 -9.577 -11.593 -0.979 747 H VAL 95 H VAL 95 -7.866 -7.818 0.578 748 HA VAL 95 HA VAL 95 -5.739 -8.204 -1.358 749 HB VAL 95 HB VAL 95 -4.763 -6.212 -0.331 750 HG11 VAL 95 HG11 VAL 95 -6.396 -5.827 -2.063 751 HG12 VAL 95 HG12 VAL 95 -7.743 -5.956 -0.929 752 HG13 VAL 95 HG13 VAL 95 -6.615 -4.599 -0.824 753 HG21 VAL 95 HG21 VAL 95 -6.082 -4.900 1.375 754 HG22 VAL 95 HG22 VAL 95 -7.018 -6.354 1.707 755 HG23 VAL 95 HG23 VAL 95 -5.265 -6.327 2.001 756 H ASN 96 H ASN 96 -3.482 -7.704 0.296 757 HA ASN 96 HA ASN 96 -3.340 -10.008 2.112 758 HB2 ASN 96 HB2 ASN 96 -2.324 -10.702 -0.067 759 HB3 ASN 96 HB3 ASN 96 -1.252 -9.314 -0.009 760 HD21 ASN 96 HD21 ASN 96 -0.092 -11.617 -0.277 761 HD22 ASN 96 HD22 ASN 96 0.692 -12.212 1.143 762 H VAL 97 H VAL 97 -2.606 -9.182 3.992 763 HA VAL 97 HA VAL 97 -1.943 -6.380 4.100 764 HB VAL 97 HB VAL 97 -1.940 -8.335 6.456 765 HG11 VAL 97 HG11 VAL 97 -2.361 -5.340 6.127 766 HG12 VAL 97 HG12 VAL 97 -2.803 -6.197 7.620 767 HG13 VAL 97 HG13 VAL 97 -1.122 -6.133 7.095 768 HG21 VAL 97 HG21 VAL 97 -4.346 -7.653 6.755 769 HG22 VAL 97 HG22 VAL 97 -4.267 -6.921 5.138 770 HG23 VAL 97 HG23 VAL 97 -4.072 -8.674 5.340 771 H ILE 98 H ILE 98 -0.027 -7.489 2.569 772 HA ILE 98 HA ILE 98 2.326 -8.452 3.848 773 HB ILE 98 HB ILE 98 3.503 -7.691 1.819 774 HG12 ILE 98 HG12 ILE 98 0.853 -6.357 1.093 775 HG13 ILE 98 HG13 ILE 98 2.407 -5.569 1.371 776 HG21 ILE 98 HG21 ILE 98 0.935 -8.920 0.900 777 HG22 ILE 98 HG22 ILE 98 2.587 -9.276 0.390 778 HG23 ILE 98 HG23 ILE 98 2.040 -9.811 1.982 779 HD11 ILE 98 HD11 ILE 98 1.657 -7.382 -0.923 780 HD12 ILE 98 HD12 ILE 98 2.058 -5.674 -0.983 781 HD13 ILE 98 HD13 ILE 98 3.337 -6.815 -0.599 782 H GLY 99 H GLY 99 0.978 -5.305 4.162 783 HA2 GLY 99 HA2 GLY 99 3.579 -4.286 5.058 784 HA3 GLY 99 HA3 GLY 99 2.523 -3.285 4.058 785 H LYS 100 H LYS 100 3.365 -2.619 6.698 786 HA LYS 100 HA LYS 100 0.641 -2.129 7.848 787 HB2 LYS 100 HB2 LYS 100 2.137 -3.674 9.237 788 HB3 LYS 100 HB3 LYS 100 3.191 -2.260 9.449 789 HG2 LYS 100 HG2 LYS 100 0.845 -1.100 10.107 790 HG3 LYS 100 HG3 LYS 100 0.390 -2.785 10.455 791 HD2 LYS 100 HD2 LYS 100 2.765 -2.693 11.689 792 HD3 LYS 100 HD3 LYS 100 2.403 -0.956 11.670 793 HE2 LYS 100 HE2 LYS 100 0.227 -1.503 12.862 794 HE3 LYS 100 HE3 LYS 100 0.754 -3.191 12.941 795 HZ1 LYS 100 HZ1 LYS 100 2.767 -2.304 14.148 796 HZ2 LYS 100 HZ2 LYS 100 1.367 -2.156 14.985 797 HZ3 LYS 100 HZ3 LYS 100 1.970 -0.849 14.245 798 H ILE 101 H ILE 101 0.231 0.112 8.162 799 HA ILE 101 HA ILE 101 2.235 2.009 7.136 800 HB ILE 101 HB ILE 101 -0.564 2.447 8.252 801 HG12 ILE 101 HG12 ILE 101 0.393 2.386 5.356 802 HG13 ILE 101 HG13 ILE 101 -0.572 1.152 6.171 803 HG21 ILE 101 HG21 ILE 101 -0.293 4.760 7.230 804 HG22 ILE 101 HG22 ILE 101 0.939 4.466 8.442 805 HG23 ILE 101 HG23 ILE 101 1.367 4.327 6.752 806 HD11 ILE 101 HD11 ILE 101 -1.467 3.975 5.568 807 HD12 ILE 101 HD12 ILE 101 -2.031 2.472 4.825 808 HD13 ILE 101 HD13 ILE 101 -2.381 2.786 6.536 809 H VAL 102 H VAL 102 3.766 1.524 8.643 810 HA VAL 102 HA VAL 102 3.362 1.906 11.528 811 HB VAL 102 HB VAL 102 5.800 1.968 11.808 812 HG11 VAL 102 HG11 VAL 102 4.697 -0.207 11.719 813 HG12 VAL 102 HG12 VAL 102 4.824 -0.252 9.951 814 HG13 VAL 102 HG13 VAL 102 6.284 -0.313 10.961 815 HG21 VAL 102 HG21 VAL 102 6.512 3.197 9.773 816 HG22 VAL 102 HG22 VAL 102 7.298 1.584 9.796 817 HG23 VAL 102 HG23 VAL 102 5.883 1.835 8.803 818 H GLU 103 H GLU 103 4.750 4.229 8.983 819 HA GLU 103 HA GLU 103 4.010 6.378 10.884 820 HB2 GLU 103 HB2 GLU 103 6.429 6.035 9.028 821 HB3 GLU 103 HB3 GLU 103 5.886 7.558 9.616 822 HG2 GLU 103 HG2 GLU 103 6.033 6.128 11.989 823 HG3 GLU 103 HG3 GLU 103 6.984 5.115 10.911 824 H GLY 104 H GLY 104 3.519 8.318 9.828 825 HA2 GLY 104 HA2 GLY 104 2.291 9.595 8.402 826 HA3 GLY 104 HA3 GLY 104 2.818 8.602 7.067 827 H LEU 105 H LEU 105 0.607 8.678 9.780 828 HA LEU 105 HA LEU 105 -1.331 7.008 8.247 829 HB2 LEU 105 HB2 LEU 105 -0.485 6.419 10.659 830 HB3 LEU 105 HB3 LEU 105 -1.526 7.757 11.186 831 HG LEU 105 HG LEU 105 -3.356 6.627 9.738 832 HD11 LEU 105 HD11 LEU 105 -2.210 5.058 8.429 833 HD12 LEU 105 HD12 LEU 105 -2.990 4.123 9.676 834 HD13 LEU 105 HD13 LEU 105 -1.268 4.436 9.821 835 HD21 LEU 105 HD21 LEU 105 -4.076 5.171 11.488 836 HD22 LEU 105 HD22 LEU 105 -3.385 6.652 12.196 837 HD23 LEU 105 HD23 LEU 105 -2.438 5.140 12.193 838 H GLU 106 H GLU 106 -1.151 9.977 10.194 839 HA GLU 106 HA GLU 106 -3.918 10.679 9.459 840 HB2 GLU 106 HB2 GLU 106 -3.681 12.447 11.140 841 HB3 GLU 106 HB3 GLU 106 -3.378 10.807 11.726 842 HG2 GLU 106 HG2 GLU 106 -0.951 11.218 11.713 843 HG3 GLU 106 HG3 GLU 106 -1.226 12.855 11.104 844 H ASP 107 H ASP 107 -0.837 11.221 8.234 845 HA ASP 107 HA ASP 107 -1.325 13.825 7.034 846 HB2 ASP 107 HB2 ASP 107 0.818 13.703 6.230 847 HB3 ASP 107 HB3 ASP 107 0.952 12.820 7.755 848 H LEU 108 H LEU 108 -2.111 10.502 6.283 849 HA LEU 108 HA LEU 108 -1.942 10.642 3.454 850 HB2 LEU 108 HB2 LEU 108 -3.762 8.901 5.145 851 HB3 LEU 108 HB3 LEU 108 -3.329 8.637 3.445 852 HG LEU 108 HG LEU 108 -1.507 8.542 5.880 853 HD11 LEU 108 HD11 LEU 108 -2.231 6.462 3.768 854 HD12 LEU 108 HD12 LEU 108 -2.748 6.509 5.467 855 HD13 LEU 108 HD13 LEU 108 -1.050 6.252 5.097 856 HD21 LEU 108 HD21 LEU 108 -0.694 8.614 2.941 857 HD22 LEU 108 HD22 LEU 108 0.350 8.064 4.294 858 HD23 LEU 108 HD23 LEU 108 -0.200 9.712 4.238 859 H LYS 109 H LYS 109 -4.398 11.999 5.486 860 HA LYS 109 HA LYS 109 -6.306 12.428 3.358 861 HB2 LYS 109 HB2 LYS 109 -6.004 13.969 5.967 862 HB3 LYS 109 HB3 LYS 109 -7.424 13.808 4.944 863 HG2 LYS 109 HG2 LYS 109 -7.982 12.308 6.522 864 HG3 LYS 109 HG3 LYS 109 -7.180 11.214 5.434 865 HD2 LYS 109 HD2 LYS 109 -5.243 11.086 6.872 866 HD3 LYS 109 HD3 LYS 109 -5.734 12.526 7.771 867 HE2 LYS 109 HE2 LYS 109 -7.443 10.030 7.739 868 HE3 LYS 109 HE3 LYS 109 -6.077 10.199 8.859 869 HZ1 LYS 109 HZ1 LYS 109 -8.214 10.910 9.752 870 HZ2 LYS 109 HZ2 LYS 109 -8.282 12.157 8.687 871 HZ3 LYS 109 HZ3 LYS 109 -7.074 12.080 9.839 872 H LYS 110 H LYS 110 -3.193 13.765 3.948 873 HA LYS 110 HA LYS 110 -3.809 16.496 3.126 874 HB2 LYS 110 HB2 LYS 110 -1.101 15.128 3.318 875 HB3 LYS 110 HB3 LYS 110 -1.403 16.837 3.162 876 HG2 LYS 110 HG2 LYS 110 -2.003 15.090 5.550 877 HG3 LYS 110 HG3 LYS 110 -0.840 16.401 5.453 878 HD2 LYS 110 HD2 LYS 110 -3.851 16.523 5.518 879 HD3 LYS 110 HD3 LYS 110 -2.748 17.161 6.728 880 HE2 LYS 110 HE2 LYS 110 -2.133 19.018 5.419 881 HE3 LYS 110 HE3 LYS 110 -2.643 18.285 3.907 882 HZ1 LYS 110 HZ1 LYS 110 -4.534 19.079 6.016 883 HZ2 LYS 110 HZ2 LYS 110 -4.916 18.587 4.476 884 HZ3 LYS 110 HZ3 LYS 110 -4.147 19.998 4.708 885 H ILE 111 H ILE 111 -3.047 13.475 1.565 886 HA ILE 111 HA ILE 111 -1.857 14.650 -0.787 887 HB ILE 111 HB ILE 111 -2.927 11.833 -0.514 888 HG12 ILE 111 HG12 ILE 111 -1.704 11.977 1.533 889 HG13 ILE 111 HG13 ILE 111 -0.690 11.137 0.389 890 HG21 ILE 111 HG21 ILE 111 -1.995 12.495 -2.708 891 HG22 ILE 111 HG22 ILE 111 -0.470 12.965 -1.946 892 HG23 ILE 111 HG23 ILE 111 -0.999 11.276 -1.924 893 HD11 ILE 111 HD11 ILE 111 0.488 13.410 -0.008 894 HD12 ILE 111 HD12 ILE 111 -0.364 13.978 1.427 895 HD13 ILE 111 HD13 ILE 111 0.742 12.617 1.567 896 H LYS 112 H LYS 112 -2.848 14.642 -2.947 897 HA LYS 112 HA LYS 112 -5.787 14.439 -3.014 898 HB2 LYS 112 HB2 LYS 112 -3.925 16.046 -4.797 899 HB3 LYS 112 HB3 LYS 112 -5.658 16.067 -4.874 900 HG2 LYS 112 HG2 LYS 112 -4.353 16.802 -2.234 901 HG3 LYS 112 HG3 LYS 112 -4.208 17.909 -3.578 902 HD2 LYS 112 HD2 LYS 112 -6.081 18.260 -1.979 903 HD3 LYS 112 HD3 LYS 112 -6.460 18.260 -3.728 904 HE2 LYS 112 HE2 LYS 112 -7.374 16.022 -3.577 905 HE3 LYS 112 HE3 LYS 112 -6.945 15.891 -1.867 906 HZ1 LYS 112 HZ1 LYS 112 -8.725 17.102 -1.284 907 HZ2 LYS 112 HZ2 LYS 112 -9.318 16.656 -2.741 908 HZ3 LYS 112 HZ3 LYS 112 -8.633 18.134 -2.573 909 H ASP 113 H ASP 113 -6.473 14.042 -5.353 910 HA ASP 113 HA ASP 113 -5.747 11.304 -5.917 911 HB2 ASP 113 HB2 ASP 113 -8.048 12.233 -5.686 912 HB3 ASP 113 HB3 ASP 113 -7.783 13.233 -7.085 913 H GLY 114 H GLY 114 -3.613 13.196 -6.565 914 HA2 GLY 114 HA2 GLY 114 -2.549 12.055 -8.781 915 HA3 GLY 114 HA3 GLY 114 -3.408 13.422 -9.478 916 H GLU 115 H GLU 115 -1.243 12.776 -6.629 917 HA GLU 115 HA GLU 115 0.170 15.364 -7.157 918 HB2 GLU 115 HB2 GLU 115 -0.647 13.817 -4.647 919 HB3 GLU 115 HB3 GLU 115 0.690 14.919 -4.560 920 HG2 GLU 115 HG2 GLU 115 -1.939 15.915 -5.608 921 HG3 GLU 115 HG3 GLU 115 -1.606 15.702 -3.874 922 H LYS 116 H LYS 116 0.879 12.675 -8.112 923 HA LYS 116 HA LYS 116 2.372 10.933 -7.903 924 HB2 LYS 116 HB2 LYS 116 3.857 13.478 -7.934 925 HB3 LYS 116 HB3 LYS 116 4.823 12.152 -7.360 926 HG2 LYS 116 HG2 LYS 116 3.353 11.452 -9.802 927 HG3 LYS 116 HG3 LYS 116 4.251 12.984 -9.937 928 HD2 LYS 116 HD2 LYS 116 6.359 11.930 -9.643 929 HD3 LYS 116 HD3 LYS 116 5.654 10.635 -8.677 930 HE2 LYS 116 HE2 LYS 116 6.274 9.539 -10.601 931 HE3 LYS 116 HE3 LYS 116 4.499 9.745 -10.687 932 HZ1 LYS 116 HZ1 LYS 116 4.747 11.244 -12.407 933 HZ2 LYS 116 HZ2 LYS 116 5.958 10.210 -12.718 934 HZ3 LYS 116 HZ3 LYS 116 6.350 11.629 -12.032 935 H VAL 117 H VAL 117 3.658 9.593 -6.744 936 HA VAL 117 HA VAL 117 4.321 10.297 -3.904 937 HB VAL 117 HB VAL 117 2.425 8.729 -3.960 938 HG11 VAL 117 HG11 VAL 117 4.335 6.730 -5.242 939 HG12 VAL 117 HG12 VAL 117 2.644 6.437 -4.758 940 HG13 VAL 117 HG13 VAL 117 2.996 7.551 -6.066 941 HG21 VAL 117 HG21 VAL 117 3.816 8.560 -2.014 942 HG22 VAL 117 HG22 VAL 117 3.209 6.979 -2.463 943 HG23 VAL 117 HG23 VAL 117 4.898 7.392 -2.824 944 H ALA 118 H ALA 118 6.285 9.222 -3.192 945 HA ALA 118 HA ALA 118 8.239 8.359 -5.284 946 HB1 ALA 118 HB1 ALA 118 9.811 9.538 -3.487 947 HB2 ALA 118 HB2 ALA 118 9.002 10.522 -4.727 948 HB3 ALA 118 HB3 ALA 118 8.360 10.438 -3.071 949 H VAL 119 H VAL 119 8.171 6.167 -4.798 950 HA VAL 119 HA VAL 119 7.926 5.158 -2.077 951 HB VAL 119 HB VAL 119 8.274 3.694 -4.722 952 HG11 VAL 119 HG11 VAL 119 7.444 2.776 -1.995 953 HG12 VAL 119 HG12 VAL 119 7.234 1.822 -3.482 954 HG13 VAL 119 HG13 VAL 119 8.860 2.283 -2.968 955 HG21 VAL 119 HG21 VAL 119 5.759 3.312 -4.520 956 HG22 VAL 119 HG22 VAL 119 5.744 4.620 -3.319 957 HG23 VAL 119 HG23 VAL 119 6.244 4.937 -4.990 958 H ARG 120 H ARG 120 9.733 4.419 -0.922 959 HA ARG 120 HA ARG 120 12.279 3.780 -2.301 960 HB2 ARG 120 HB2 ARG 120 12.389 5.437 0.214 961 HB3 ARG 120 HB3 ARG 120 13.666 5.043 -0.925 962 HG2 ARG 120 HG2 ARG 120 12.419 6.444 -2.652 963 HG3 ARG 120 HG3 ARG 120 11.346 6.964 -1.333 964 HD2 ARG 120 HD2 ARG 120 13.373 7.683 -0.068 965 HD3 ARG 120 HD3 ARG 120 14.356 7.301 -1.512 966 HE ARG 120 HE ARG 120 12.463 8.895 -2.557 967 HH11 ARG 120 HH11 ARG 120 14.765 9.350 0.070 968 HH12 ARG 120 HH12 ARG 120 14.520 11.063 0.224 969 HH21 ARG 120 HH21 ARG 120 12.270 11.117 -2.554 970 HH22 ARG 120 HH22 ARG 120 13.115 12.132 -1.427 971 H PHE 121 H PHE 121 13.790 2.988 -0.086 972 HA PHE 121 HA PHE 121 12.267 0.659 0.885 973 HB2 PHE 121 HB2 PHE 121 15.189 1.446 0.743 974 HB3 PHE 121 HB3 PHE 121 14.572 0.047 1.597 975 HD1 PHE 121 HD1 PHE 121 13.039 -1.557 0.424 976 HD2 PHE 121 HD2 PHE 121 15.601 1.235 -1.539 977 HE1 PHE 121 HE1 PHE 121 13.057 -3.048 -1.608 978 HE2 PHE 121 HE2 PHE 121 15.680 -0.259 -3.587 979 HZ PHE 121 HZ PHE 121 14.417 -2.391 -3.585 980 H ALA 122 H ALA 122 12.879 3.340 2.020 981 HA ALA 122 HA ALA 122 12.338 4.508 4.289 982 HB1 ALA 122 HB1 ALA 122 11.821 1.791 5.228 983 HB2 ALA 122 HB2 ALA 122 11.327 3.333 5.928 984 HB3 ALA 122 HB3 ALA 122 10.641 2.796 4.355 985 H SER 123 H SER 123 14.758 4.819 3.980 986 HA SER 123 HA SER 123 16.788 5.003 4.829 987 HB2 SER 123 HB2 SER 123 15.571 4.918 7.054 988 HB3 SER 123 HB3 SER 123 16.246 3.279 7.154 989 HG SER 123 HG SER 123 18.305 4.235 6.803 990 H SER 124 H SER 124 15.475 2.234 3.780 991 HA SER 124 HA SER 124 16.253 0.483 2.555 992 HB2 SER 124 HB2 SER 124 19.025 0.958 3.597 993 HB3 SER 124 HB3 SER 124 18.505 -0.268 2.442 994 HG SER 124 HG SER 124 19.381 1.739 1.593 Start of MODEL 16 1 H1 MET 1 H1 MET 1 11.590 -4.890 6.385 2 HA MET 1 HA MET 1 13.061 -3.817 4.715 3 HB2 MET 1 HB2 MET 1 12.995 -5.547 3.071 4 HB3 MET 1 HB3 MET 1 11.258 -5.358 2.814 5 HG2 MET 1 HG2 MET 1 11.544 -3.293 1.684 6 HG3 MET 1 HG3 MET 1 13.151 -3.051 2.383 7 HE1 MET 1 HE1 MET 1 12.253 -6.223 -0.857 8 HE2 MET 1 HE2 MET 1 11.179 -5.718 0.469 9 HE3 MET 1 HE3 MET 1 11.370 -4.687 -0.965 10 H ARG 2 H ARG 2 12.469 -1.948 5.519 11 HA ARG 2 HA ARG 2 9.705 -1.007 5.445 12 HB2 ARG 2 HB2 ARG 2 12.409 0.280 5.925 13 HB3 ARG 2 HB3 ARG 2 10.957 1.269 5.725 14 HG2 ARG 2 HG2 ARG 2 9.829 0.029 7.586 15 HG3 ARG 2 HG3 ARG 2 11.301 -0.928 7.831 16 HD2 ARG 2 HD2 ARG 2 11.054 2.100 8.101 17 HD3 ARG 2 HD3 ARG 2 11.153 0.955 9.434 18 HE ARG 2 HE ARG 2 13.265 1.900 7.637 19 HH11 ARG 2 HH11 ARG 2 12.523 -0.090 10.494 20 HH12 ARG 2 HH12 ARG 2 14.178 -0.272 10.901 21 HH21 ARG 2 HH21 ARG 2 15.367 0.997 7.805 22 HH22 ARG 2 HH22 ARG 2 15.901 0.380 9.339 23 H VAL 3 H VAL 3 9.051 0.788 4.188 24 HA VAL 3 HA VAL 3 10.483 1.472 1.781 25 HB VAL 3 HB VAL 3 7.750 0.096 1.908 26 HG11 VAL 3 HG11 VAL 3 7.495 0.705 -0.565 27 HG12 VAL 3 HG12 VAL 3 7.143 1.966 0.625 28 HG13 VAL 3 HG13 VAL 3 8.655 2.017 -0.245 29 HG21 VAL 3 HG21 VAL 3 8.784 -1.137 -0.114 30 HG22 VAL 3 HG22 VAL 3 10.334 -0.401 0.383 31 HG23 VAL 3 HG23 VAL 3 9.451 -1.467 1.490 32 H GLU 4 H GLU 4 10.032 3.687 1.351 33 HA GLU 4 HA GLU 4 8.245 5.106 3.297 34 HB2 GLU 4 HB2 GLU 4 10.500 5.542 3.847 35 HB3 GLU 4 HB3 GLU 4 10.993 5.733 2.146 36 HG2 GLU 4 HG2 GLU 4 9.635 7.833 2.069 37 HG3 GLU 4 HG3 GLU 4 9.247 7.619 3.784 38 H LEU 5 H LEU 5 6.869 6.539 2.425 39 HA LEU 5 HA LEU 5 6.617 6.709 -0.528 40 HB2 LEU 5 HB2 LEU 5 4.493 6.852 1.655 41 HB3 LEU 5 HB3 LEU 5 4.226 6.960 -0.066 42 HG LEU 5 HG LEU 5 5.139 4.498 1.470 43 HD11 LEU 5 HD11 LEU 5 2.790 5.004 1.774 44 HD12 LEU 5 HD12 LEU 5 2.903 3.628 0.670 45 HD13 LEU 5 HD13 LEU 5 2.553 5.234 0.027 46 HD21 LEU 5 HD21 LEU 5 6.178 4.507 -0.792 47 HD22 LEU 5 HD22 LEU 5 4.563 4.738 -1.508 48 HD23 LEU 5 HD23 LEU 5 4.957 3.247 -0.627 49 H LEU 6 H LEU 6 7.039 8.736 -1.234 50 HA LEU 6 HA LEU 6 6.793 11.056 0.647 51 HB2 LEU 6 HB2 LEU 6 9.097 9.951 -0.621 52 HB3 LEU 6 HB3 LEU 6 8.747 11.402 -1.530 53 HG LEU 6 HG LEU 6 8.920 11.373 1.507 54 HD11 LEU 6 HD11 LEU 6 11.086 10.741 0.523 55 HD12 LEU 6 HD12 LEU 6 11.150 12.329 1.271 56 HD13 LEU 6 HD13 LEU 6 11.054 12.184 -0.513 57 HD21 LEU 6 HD21 LEU 6 9.145 13.817 1.250 58 HD22 LEU 6 HD22 LEU 6 7.625 13.278 0.540 59 HD23 LEU 6 HD23 LEU 6 8.994 13.668 -0.517 60 H PHE 7 H PHE 7 5.150 12.367 -0.041 61 HA PHE 7 HA PHE 7 4.264 12.230 -2.887 62 HB2 PHE 7 HB2 PHE 7 2.697 13.248 -0.527 63 HB3 PHE 7 HB3 PHE 7 2.083 12.741 -2.078 64 HD1 PHE 7 HD1 PHE 7 3.339 11.566 1.228 65 HD2 PHE 7 HD2 PHE 7 1.721 10.448 -2.562 66 HE1 PHE 7 HE1 PHE 7 2.971 9.362 2.132 67 HE2 PHE 7 HE2 PHE 7 1.251 8.144 -1.664 68 HZ PHE 7 HZ PHE 7 1.982 7.562 0.608 69 H GLU 8 H GLU 8 3.263 14.236 -3.682 70 HA GLU 8 HA GLU 8 4.862 16.557 -3.257 71 HB2 GLU 8 HB2 GLU 8 2.147 16.397 -4.599 72 HB3 GLU 8 HB3 GLU 8 3.361 17.678 -4.776 73 HG2 GLU 8 HG2 GLU 8 4.840 15.506 -5.492 74 HG3 GLU 8 HG3 GLU 8 3.239 14.951 -5.947 75 H SER 9 H SER 9 2.180 15.419 -1.410 76 HA SER 9 HA SER 9 2.020 18.118 -0.084 77 HB2 SER 9 HB2 SER 9 -0.094 15.991 -0.397 78 HB3 SER 9 HB3 SER 9 -0.197 17.247 0.829 79 HG SER 9 HG SER 9 -0.093 17.545 -2.004 80 H GLY 10 H GLY 10 3.462 15.026 0.547 81 HA2 GLY 10 HA2 GLY 10 3.794 15.479 3.325 82 HA3 GLY 10 HA3 GLY 10 2.365 14.440 3.079 83 H LYS 11 H LYS 11 3.965 12.845 4.383 84 HA LYS 11 HA LYS 11 5.001 10.979 2.480 85 HB2 LYS 11 HB2 LYS 11 7.239 11.021 3.321 86 HB3 LYS 11 HB3 LYS 11 6.842 12.607 2.686 87 HG2 LYS 11 HG2 LYS 11 6.979 11.776 5.612 88 HG3 LYS 11 HG3 LYS 11 8.088 12.771 4.718 89 HD2 LYS 11 HD2 LYS 11 6.395 14.547 4.478 90 HD3 LYS 11 HD3 LYS 11 5.330 13.648 5.584 91 HE2 LYS 11 HE2 LYS 11 6.609 13.989 7.422 92 HE3 LYS 11 HE3 LYS 11 8.126 13.999 6.519 93 HZ1 LYS 11 HZ1 LYS 11 6.224 16.260 6.449 94 HZ2 LYS 11 HZ2 LYS 11 7.743 16.167 5.791 95 HZ3 LYS 11 HZ3 LYS 11 7.535 16.155 7.437 96 H CYS 12 H CYS 12 5.358 8.973 3.485 97 HA CYS 12 HA CYS 12 4.806 8.505 6.361 98 HB2 CYS 12 HB2 CYS 12 2.965 7.422 4.205 99 HB3 CYS 12 HB3 CYS 12 2.962 6.967 5.859 100 HG CYS 12 HG CYS 12 0.949 8.431 5.557 101 H VAL 13 H VAL 13 4.837 5.858 6.602 102 HA VAL 13 HA VAL 13 6.798 4.721 4.731 103 HB VAL 13 HB VAL 13 7.295 4.704 7.700 104 HG11 VAL 13 HG11 VAL 13 9.203 4.032 5.461 105 HG12 VAL 13 HG12 VAL 13 9.514 3.919 7.195 106 HG13 VAL 13 HG13 VAL 13 8.329 2.843 6.457 107 HG21 VAL 13 HG21 VAL 13 8.621 6.523 5.669 108 HG22 VAL 13 HG22 VAL 13 7.621 7.043 7.046 109 HG23 VAL 13 HG23 VAL 13 9.195 6.291 7.326 110 H ILE 14 H ILE 14 6.736 2.455 4.703 111 HA ILE 14 HA ILE 14 4.601 1.170 6.232 112 HB ILE 14 HB ILE 14 3.727 0.160 4.240 113 HG12 ILE 14 HG12 ILE 14 5.970 1.604 2.742 114 HG13 ILE 14 HG13 ILE 14 5.657 -0.137 2.881 115 HG21 ILE 14 HG21 ILE 14 3.959 3.170 3.647 116 HG22 ILE 14 HG22 ILE 14 2.630 2.101 3.231 117 HG23 ILE 14 HG23 ILE 14 2.940 2.462 4.919 118 HD11 ILE 14 HD11 ILE 14 4.140 1.940 1.281 119 HD12 ILE 14 HD12 ILE 14 5.003 0.526 0.694 120 HD13 ILE 14 HD13 ILE 14 3.468 0.334 1.610 121 H ASP 15 H ASP 15 4.967 -0.989 6.522 122 HA ASP 15 HA ASP 15 7.832 -1.852 6.468 123 HB2 ASP 15 HB2 ASP 15 7.168 -1.529 8.644 124 HB3 ASP 15 HB3 ASP 15 5.502 -2.042 8.360 125 H LEU 16 H LEU 16 8.275 -3.543 5.038 126 HA LEU 16 HA LEU 16 6.068 -5.481 4.508 127 HB2 LEU 16 HB2 LEU 16 8.165 -4.272 2.738 128 HB3 LEU 16 HB3 LEU 16 7.196 -5.631 2.223 129 HG LEU 16 HG LEU 16 6.056 -2.902 3.015 130 HD11 LEU 16 HD11 LEU 16 6.041 -2.449 0.618 131 HD12 LEU 16 HD12 LEU 16 6.749 -4.068 0.301 132 HD13 LEU 16 HD13 LEU 16 7.673 -2.815 1.165 133 HD21 LEU 16 HD21 LEU 16 4.841 -5.103 1.281 134 HD22 LEU 16 HD22 LEU 16 4.033 -3.648 1.965 135 HD23 LEU 16 HD23 LEU 16 4.556 -4.983 2.999 136 H ASN 17 H ASN 17 6.489 -7.383 4.856 137 HA ASN 17 HA ASN 17 9.019 -8.494 5.850 138 HB2 ASN 17 HB2 ASN 17 6.427 -9.230 6.277 139 HB3 ASN 17 HB3 ASN 17 6.878 -10.384 5.016 140 HD21 ASN 17 HD21 ASN 17 9.524 -11.260 5.580 141 HD22 ASN 17 HD22 ASN 17 9.630 -11.606 7.278 142 H GLU 18 H GLU 18 10.656 -9.142 4.545 143 HA GLU 18 HA GLU 18 10.337 -9.659 1.702 144 HB2 GLU 18 HB2 GLU 18 12.654 -10.074 3.642 145 HB3 GLU 18 HB3 GLU 18 12.748 -10.280 1.892 146 HG2 GLU 18 HG2 GLU 18 12.134 -7.902 1.564 147 HG3 GLU 18 HG3 GLU 18 12.152 -7.688 3.318 148 H GLU 19 H GLU 19 8.570 -11.439 3.287 149 HA GLU 19 HA GLU 19 9.939 -14.044 2.833 150 HB2 GLU 19 HB2 GLU 19 8.499 -15.124 4.251 151 HB3 GLU 19 HB3 GLU 19 9.280 -13.817 5.114 152 HG2 GLU 19 HG2 GLU 19 7.383 -12.792 5.658 153 HG3 GLU 19 HG3 GLU 19 6.674 -12.936 4.093 154 H TYR 20 H TYR 20 7.795 -11.822 1.468 155 HA TYR 20 HA TYR 20 6.132 -13.923 0.197 156 HB2 TYR 20 HB2 TYR 20 5.725 -10.930 0.310 157 HB3 TYR 20 HB3 TYR 20 4.577 -12.137 -0.217 158 HD1 TYR 20 HD1 TYR 20 3.987 -13.979 1.598 159 HD2 TYR 20 HD2 TYR 20 5.564 -10.114 2.504 160 HE1 TYR 20 HE1 TYR 20 2.951 -14.115 3.876 161 HE2 TYR 20 HE2 TYR 20 4.546 -10.222 4.784 162 HH TYR 20 HH TYR 20 3.774 -13.006 6.128 163 H GLU 21 H GLU 21 6.183 -14.232 -1.942 164 HA GLU 21 HA GLU 21 8.287 -13.704 -3.557 165 HB2 GLU 21 HB2 GLU 21 6.379 -15.333 -3.813 166 HB3 GLU 21 HB3 GLU 21 5.386 -14.037 -4.473 167 HG2 GLU 21 HG2 GLU 21 6.355 -14.170 -6.512 168 HG3 GLU 21 HG3 GLU 21 7.980 -14.271 -5.853 169 H VAL 22 H VAL 22 5.242 -11.816 -3.626 170 HA VAL 22 HA VAL 22 5.943 -9.999 -5.685 171 HB VAL 22 HB VAL 22 3.679 -10.497 -4.764 172 HG11 VAL 22 HG11 VAL 22 4.151 -10.332 -2.341 173 HG12 VAL 22 HG12 VAL 22 4.414 -8.583 -2.525 174 HG13 VAL 22 HG13 VAL 22 2.822 -9.274 -2.839 175 HG21 VAL 22 HG21 VAL 22 4.111 -8.538 -6.252 176 HG22 VAL 22 HG22 VAL 22 2.734 -8.331 -5.155 177 HG23 VAL 22 HG23 VAL 22 4.281 -7.522 -4.811 178 H VAL 23 H VAL 23 7.096 -10.037 -2.360 179 HA VAL 23 HA VAL 23 7.778 -7.194 -2.348 180 HB VAL 23 HB VAL 23 8.481 -9.432 -0.406 181 HG11 VAL 23 HG11 VAL 23 8.631 -6.409 -0.104 182 HG12 VAL 23 HG12 VAL 23 8.821 -7.577 1.216 183 HG13 VAL 23 HG13 VAL 23 9.991 -7.564 -0.110 184 HG21 VAL 23 HG21 VAL 23 6.297 -7.331 -0.102 185 HG22 VAL 23 HG22 VAL 23 5.976 -8.965 -0.713 186 HG23 VAL 23 HG23 VAL 23 6.638 -8.772 0.885 187 H LYS 24 H LYS 24 9.495 -10.404 -2.504 188 HA LYS 24 HA LYS 24 12.091 -9.374 -2.930 189 HB2 LYS 24 HB2 LYS 24 10.819 -11.924 -4.016 190 HB3 LYS 24 HB3 LYS 24 12.544 -11.626 -3.765 191 HG2 LYS 24 HG2 LYS 24 12.102 -11.383 -1.299 192 HG3 LYS 24 HG3 LYS 24 10.401 -11.780 -1.576 193 HD2 LYS 24 HD2 LYS 24 11.093 -13.962 -2.572 194 HD3 LYS 24 HD3 LYS 24 12.765 -13.540 -2.158 195 HE2 LYS 24 HE2 LYS 24 11.993 -13.244 0.258 196 HE3 LYS 24 HE3 LYS 24 10.410 -13.866 -0.248 197 HZ1 LYS 24 HZ1 LYS 24 11.653 -15.887 -1.007 198 HZ2 LYS 24 HZ2 LYS 24 11.599 -15.662 0.621 199 HZ3 LYS 24 HZ3 LYS 24 12.979 -15.319 -0.228 200 H LEU 25 H LEU 25 9.356 -9.947 -5.102 201 HA LEU 25 HA LEU 25 10.838 -9.331 -7.529 202 HB2 LEU 25 HB2 LEU 25 7.918 -9.817 -6.831 203 HB3 LEU 25 HB3 LEU 25 8.378 -9.310 -8.446 204 HG LEU 25 HG LEU 25 9.618 -11.768 -7.114 205 HD11 LEU 25 HD11 LEU 25 7.181 -12.065 -7.292 206 HD12 LEU 25 HD12 LEU 25 8.056 -13.126 -8.394 207 HD13 LEU 25 HD13 LEU 25 7.248 -11.671 -9.029 208 HD21 LEU 25 HD21 LEU 25 9.384 -10.797 -9.982 209 HD22 LEU 25 HD22 LEU 25 10.134 -12.341 -9.494 210 HD23 LEU 25 HD23 LEU 25 10.884 -10.807 -9.048 211 H LEU 26 H LEU 26 9.087 -7.450 -5.166 212 HA LEU 26 HA LEU 26 8.841 -5.072 -6.783 213 HB2 LEU 26 HB2 LEU 26 8.133 -5.916 -4.097 214 HB3 LEU 26 HB3 LEU 26 9.113 -4.506 -3.949 215 HG LEU 26 HG LEU 26 6.504 -4.820 -5.480 216 HD11 LEU 26 HD11 LEU 26 7.243 -3.064 -3.100 217 HD12 LEU 26 HD12 LEU 26 6.416 -4.635 -3.010 218 HD13 LEU 26 HD13 LEU 26 5.629 -3.276 -3.829 219 HD21 LEU 26 HD21 LEU 26 6.561 -2.370 -5.928 220 HD22 LEU 26 HD22 LEU 26 7.934 -3.135 -6.722 221 HD23 LEU 26 HD23 LEU 26 8.187 -2.261 -5.221 222 H LYS 27 H LYS 27 11.409 -6.506 -4.859 223 HA LYS 27 HA LYS 27 12.898 -4.130 -4.421 224 HB2 LYS 27 HB2 LYS 27 13.221 -6.535 -3.456 225 HB3 LYS 27 HB3 LYS 27 14.126 -6.843 -4.935 226 HG2 LYS 27 HG2 LYS 27 15.458 -4.641 -4.218 227 HG3 LYS 27 HG3 LYS 27 14.729 -4.949 -2.634 228 HD2 LYS 27 HD2 LYS 27 16.898 -5.991 -2.620 229 HD3 LYS 27 HD3 LYS 27 15.715 -7.300 -2.779 230 HE2 LYS 27 HE2 LYS 27 16.109 -6.677 -5.422 231 HE3 LYS 27 HE3 LYS 27 17.684 -6.181 -4.787 232 HZ1 LYS 27 HZ1 LYS 27 18.041 -8.402 -4.043 233 HZ2 LYS 27 HZ2 LYS 27 17.448 -8.479 -5.582 234 HZ3 LYS 27 HZ3 LYS 27 16.452 -8.825 -4.339 235 H GLU 28 H GLU 28 12.391 -6.005 -7.298 236 HA GLU 28 HA GLU 28 14.605 -5.093 -8.839 237 HB2 GLU 28 HB2 GLU 28 11.893 -6.129 -9.681 238 HB3 GLU 28 HB3 GLU 28 13.268 -5.973 -10.752 239 HG2 GLU 28 HG2 GLU 28 13.161 -7.743 -8.242 240 HG3 GLU 28 HG3 GLU 28 12.833 -8.258 -9.866 241 H LYS 29 H LYS 29 11.751 -3.500 -7.829 242 HA LYS 29 HA LYS 29 11.798 -1.535 -10.077 243 HB2 LYS 29 HB2 LYS 29 9.402 -2.783 -8.645 244 HB3 LYS 29 HB3 LYS 29 9.364 -1.573 -9.926 245 HG2 LYS 29 HG2 LYS 29 10.303 -4.453 -10.265 246 HG3 LYS 29 HG3 LYS 29 8.738 -3.780 -10.751 247 HD2 LYS 29 HD2 LYS 29 10.000 -2.108 -12.157 248 HD3 LYS 29 HD3 LYS 29 11.469 -3.034 -11.877 249 HE2 LYS 29 HE2 LYS 29 10.416 -5.012 -12.902 250 HE3 LYS 29 HE3 LYS 29 8.894 -4.129 -13.098 251 HZ1 LYS 29 HZ1 LYS 29 9.808 -2.770 -14.729 252 HZ2 LYS 29 HZ2 LYS 29 10.511 -4.240 -15.050 253 HZ3 LYS 29 HZ3 LYS 29 11.366 -3.064 -14.283 254 H ILE 30 H ILE 30 13.240 -1.068 -7.629 255 HA ILE 30 HA ILE 30 11.616 1.115 -6.521 256 HB ILE 30 HB ILE 30 12.959 -1.032 -4.891 257 HG12 ILE 30 HG12 ILE 30 10.119 0.012 -4.559 258 HG13 ILE 30 HG13 ILE 30 10.493 -1.332 -5.612 259 HG21 ILE 30 HG21 ILE 30 13.493 1.268 -3.954 260 HG22 ILE 30 HG22 ILE 30 11.746 1.571 -3.838 261 HG23 ILE 30 HG23 ILE 30 12.507 0.307 -2.874 262 HD11 ILE 30 HD11 ILE 30 11.381 -2.653 -3.763 263 HD12 ILE 30 HD12 ILE 30 11.056 -1.344 -2.624 264 HD13 ILE 30 HD13 ILE 30 9.716 -2.133 -3.449 265 HA PRO 31 HA PRO 31 12.134 3.051 -5.284 266 HB2 PRO 31 HB2 PRO 31 12.765 5.527 -6.214 267 HB3 PRO 31 HB3 PRO 31 13.403 4.821 -4.709 268 HG2 PRO 31 HG2 PRO 31 14.741 5.073 -7.390 269 HG3 PRO 31 HG3 PRO 31 15.440 5.256 -5.743 270 HD2 PRO 31 HD2 PRO 31 15.659 2.968 -7.311 271 HD3 PRO 31 HD3 PRO 31 15.712 2.953 -5.525 272 H PHE 32 H PHE 32 10.235 4.040 -6.298 273 HA PHE 32 HA PHE 32 10.260 4.319 -9.118 274 HB2 PHE 32 HB2 PHE 32 8.505 2.918 -9.774 275 HB3 PHE 32 HB3 PHE 32 9.678 1.915 -8.959 276 HD1 PHE 32 HD1 PHE 32 9.190 1.315 -6.464 277 HD2 PHE 32 HD2 PHE 32 6.235 3.014 -9.085 278 HE1 PHE 32 HE1 PHE 32 7.411 0.201 -5.157 279 HE2 PHE 32 HE2 PHE 32 4.431 2.081 -7.661 280 HZ PHE 32 HZ PHE 32 5.023 0.610 -5.709 281 H GLU 33 H GLU 33 8.348 5.541 -9.889 282 HA GLU 33 HA GLU 33 6.975 6.899 -7.658 283 HB2 GLU 33 HB2 GLU 33 7.802 8.061 -10.327 284 HB3 GLU 33 HB3 GLU 33 7.072 8.902 -8.974 285 HG2 GLU 33 HG2 GLU 33 9.220 9.456 -8.591 286 HG3 GLU 33 HG3 GLU 33 9.141 7.965 -7.674 287 H SER 34 H SER 34 4.912 7.552 -7.965 288 HA SER 34 HA SER 34 3.384 6.577 -10.310 289 HB2 SER 34 HB2 SER 34 3.995 4.645 -8.575 290 HB3 SER 34 HB3 SER 34 2.637 5.328 -7.678 291 HG SER 34 HG SER 34 2.702 4.384 -10.377 292 H VAL 35 H VAL 35 0.951 6.730 -9.989 293 HA VAL 35 HA VAL 35 0.438 9.456 -8.986 294 HB VAL 35 HB VAL 35 -1.490 7.635 -10.458 295 HG11 VAL 35 HG11 VAL 35 -1.319 10.674 -10.250 296 HG12 VAL 35 HG12 VAL 35 -2.520 9.758 -11.181 297 HG13 VAL 35 HG13 VAL 35 -2.508 9.638 -9.427 298 HG21 VAL 35 HG21 VAL 35 0.508 7.796 -11.855 299 HG22 VAL 35 HG22 VAL 35 -0.754 8.805 -12.549 300 HG23 VAL 35 HG23 VAL 35 0.575 9.565 -11.630 301 H VAL 36 H VAL 36 -0.806 9.846 -7.275 302 HA VAL 36 HA VAL 36 -1.574 7.658 -5.494 303 HB VAL 36 HB VAL 36 -1.914 10.689 -5.153 304 HG11 VAL 36 HG11 VAL 36 -1.362 8.775 -2.912 305 HG12 VAL 36 HG12 VAL 36 -2.067 10.375 -2.875 306 HG13 VAL 36 HG13 VAL 36 -3.028 9.071 -3.517 307 HG21 VAL 36 HG21 VAL 36 0.478 10.334 -5.641 308 HG22 VAL 36 HG22 VAL 36 0.173 10.857 -3.990 309 HG23 VAL 36 HG23 VAL 36 0.550 9.161 -4.318 310 H ASN 37 H ASN 37 -3.252 6.835 -7.071 311 HA ASN 37 HA ASN 37 -5.596 8.593 -7.516 312 HB2 ASN 37 HB2 ASN 37 -5.418 5.576 -7.809 313 HB3 ASN 37 HB3 ASN 37 -6.741 6.610 -8.321 314 HD21 ASN 37 HD21 ASN 37 -4.004 5.029 -9.471 315 HD22 ASN 37 HD22 ASN 37 -3.792 5.959 -10.955 316 H THR 38 H THR 38 -7.558 8.346 -6.286 317 HA THR 38 HA THR 38 -7.201 7.071 -3.600 318 HB THR 38 HB THR 38 -8.352 9.052 -2.682 319 HG1 THR 38 HG1 THR 38 -8.062 10.047 -5.347 320 HG21 THR 38 HG21 THR 38 -6.474 10.594 -2.680 321 HG22 THR 38 HG22 THR 38 -5.831 9.886 -4.175 322 HG23 THR 38 HG23 THR 38 -5.883 8.923 -2.703 323 H TRP 39 H TRP 39 -9.225 6.524 -2.470 324 HA TRP 39 HA TRP 39 -11.689 6.382 -4.108 325 HB2 TRP 39 HB2 TRP 39 -10.293 4.519 -4.880 326 HB3 TRP 39 HB3 TRP 39 -10.093 3.944 -3.238 327 HD1 TRP 39 HD1 TRP 39 -12.572 4.139 -6.100 328 HE1 TRP 39 HE1 TRP 39 -14.185 2.187 -5.923 329 HE3 TRP 39 HE3 TRP 39 -11.347 2.525 -1.403 330 HZ2 TRP 39 HZ2 TRP 39 -14.890 0.125 -3.928 331 HZ3 TRP 39 HZ3 TRP 39 -12.428 0.535 -0.437 332 HH2 TRP 39 HH2 TRP 39 -14.136 -0.709 -1.708 333 H GLY 40 H GLY 40 -12.614 7.664 -2.364 334 HA2 GLY 40 HA2 GLY 40 -13.599 8.000 -0.240 335 HA3 GLY 40 HA3 GLY 40 -14.031 6.326 -0.495 336 H GLU 41 H GLU 41 -11.412 8.365 0.796 337 HA GLU 41 HA GLU 41 -10.030 8.174 2.587 338 HB2 GLU 41 HB2 GLU 41 -11.938 6.106 3.757 339 HB3 GLU 41 HB3 GLU 41 -10.755 7.110 4.578 340 HG2 GLU 41 HG2 GLU 41 -12.657 8.267 5.034 341 HG3 GLU 41 HG3 GLU 41 -12.062 9.135 3.636 342 H GLU 42 H GLU 42 -9.622 6.453 0.242 343 HA GLU 42 HA GLU 42 -7.539 4.696 1.397 344 HB2 GLU 42 HB2 GLU 42 -9.746 3.558 0.478 345 HB3 GLU 42 HB3 GLU 42 -9.147 4.057 -1.103 346 HG2 GLU 42 HG2 GLU 42 -7.187 2.656 -0.876 347 HG3 GLU 42 HG3 GLU 42 -7.659 2.220 0.780 348 H ILE 43 H ILE 43 -5.736 4.459 0.015 349 HA ILE 43 HA ILE 43 -5.437 6.263 -2.319 350 HB ILE 43 HB ILE 43 -3.674 6.138 0.151 351 HG12 ILE 43 HG12 ILE 43 -4.295 8.666 -1.361 352 HG13 ILE 43 HG13 ILE 43 -5.539 7.978 -0.319 353 HG21 ILE 43 HG21 ILE 43 -2.878 7.051 -2.647 354 HG22 ILE 43 HG22 ILE 43 -1.970 7.478 -1.173 355 HG23 ILE 43 HG23 ILE 43 -2.100 5.795 -1.665 356 HD11 ILE 43 HD11 ILE 43 -3.861 7.977 1.555 357 HD12 ILE 43 HD12 ILE 43 -2.762 8.891 0.478 358 HD13 ILE 43 HD13 ILE 43 -4.326 9.581 0.947 359 H TYR 44 H TYR 44 -4.411 5.192 -3.950 360 HA TYR 44 HA TYR 44 -2.826 2.766 -3.402 361 HB2 TYR 44 HB2 TYR 44 -4.077 1.487 -5.004 362 HB3 TYR 44 HB3 TYR 44 -5.079 1.881 -3.613 363 HD1 TYR 44 HD1 TYR 44 -6.625 4.149 -4.049 364 HD2 TYR 44 HD2 TYR 44 -5.103 1.457 -7.060 365 HE1 TYR 44 HE1 TYR 44 -8.236 5.044 -5.676 366 HE2 TYR 44 HE2 TYR 44 -6.756 2.332 -8.666 367 HH TYR 44 HH TYR 44 -9.161 4.838 -7.826 368 H PHE 45 H PHE 45 -1.586 2.195 -5.294 369 HA PHE 45 HA PHE 45 -1.402 4.220 -7.425 370 HB2 PHE 45 HB2 PHE 45 1.104 4.046 -7.102 371 HB3 PHE 45 HB3 PHE 45 0.209 5.213 -6.199 372 HD1 PHE 45 HD1 PHE 45 -0.499 4.428 -3.684 373 HD2 PHE 45 HD2 PHE 45 2.604 2.594 -6.044 374 HE1 PHE 45 HE1 PHE 45 0.642 3.753 -1.576 375 HE2 PHE 45 HE2 PHE 45 3.811 1.985 -3.933 376 HZ PHE 45 HZ PHE 45 2.870 2.646 -1.734 377 H SER 46 H SER 46 -0.466 3.358 -9.308 378 HA SER 46 HA SER 46 -1.138 0.546 -9.574 379 HB2 SER 46 HB2 SER 46 -0.315 2.609 -11.643 380 HB3 SER 46 HB3 SER 46 -1.083 1.047 -11.951 381 HG SER 46 HG SER 46 -2.526 2.696 -12.057 382 H THR 47 H THR 47 0.723 -0.228 -8.303 383 HA THR 47 HA THR 47 3.365 0.369 -8.865 384 HB THR 47 HB THR 47 3.907 -1.666 -7.604 385 HG1 THR 47 HG1 THR 47 2.489 -3.170 -7.153 386 HG21 THR 47 HG21 THR 47 2.800 -1.190 -5.528 387 HG22 THR 47 HG22 THR 47 1.384 -0.508 -6.334 388 HG23 THR 47 HG23 THR 47 2.923 0.361 -6.383 389 HA PRO 48 HA PRO 48 4.330 -1.476 -12.665 390 HB2 PRO 48 HB2 PRO 48 7.028 -1.742 -12.507 391 HB3 PRO 48 HB3 PRO 48 6.204 -0.152 -12.551 392 HG2 PRO 48 HG2 PRO 48 7.168 -1.696 -10.123 393 HG3 PRO 48 HG3 PRO 48 7.512 0.024 -10.540 394 HD2 PRO 48 HD2 PRO 48 5.531 -0.646 -8.843 395 HD3 PRO 48 HD3 PRO 48 5.289 0.656 -10.047 396 H VAL 49 H VAL 49 4.800 -3.348 -9.761 397 HA VAL 49 HA VAL 49 5.879 -5.707 -11.091 398 HB VAL 49 HB VAL 49 4.692 -5.264 -8.316 399 HG11 VAL 49 HG11 VAL 49 4.590 -7.657 -8.800 400 HG12 VAL 49 HG12 VAL 49 6.283 -7.642 -9.368 401 HG13 VAL 49 HG13 VAL 49 5.896 -7.348 -7.659 402 HG21 VAL 49 HG21 VAL 49 6.745 -3.965 -8.638 403 HG22 VAL 49 HG22 VAL 49 7.005 -5.348 -7.572 404 HG23 VAL 49 HG23 VAL 49 7.587 -5.416 -9.244 405 H ASN 50 H ASN 50 4.763 -7.608 -11.564 406 HA ASN 50 HA ASN 50 1.798 -7.532 -11.292 407 HB2 ASN 50 HB2 ASN 50 2.468 -7.067 -13.634 408 HB3 ASN 50 HB3 ASN 50 3.353 -8.590 -13.661 409 HD21 ASN 50 HD21 ASN 50 0.284 -8.893 -11.857 410 HD22 ASN 50 HD22 ASN 50 -0.584 -9.517 -13.224 411 H VAL 51 H VAL 51 1.629 -8.867 -9.526 412 HA VAL 51 HA VAL 51 2.234 -11.703 -9.962 413 HB VAL 51 HB VAL 51 2.817 -10.114 -7.413 414 HG11 VAL 51 HG11 VAL 51 2.806 -13.111 -7.877 415 HG12 VAL 51 HG12 VAL 51 3.658 -12.372 -6.521 416 HG13 VAL 51 HG13 VAL 51 1.903 -12.193 -6.647 417 HG21 VAL 51 HG21 VAL 51 5.120 -10.956 -7.617 418 HG22 VAL 51 HG22 VAL 51 4.701 -11.790 -9.122 419 HG23 VAL 51 HG23 VAL 51 4.693 -10.017 -9.050 420 H GLN 52 H GLN 52 0.539 -12.973 -8.964 421 HA GLN 52 HA GLN 52 -1.694 -11.474 -7.761 422 HB2 GLN 52 HB2 GLN 52 -1.967 -13.579 -9.910 423 HB3 GLN 52 HB3 GLN 52 -3.302 -12.827 -9.006 424 HG2 GLN 52 HG2 GLN 52 -2.396 -10.589 -10.024 425 HG3 GLN 52 HG3 GLN 52 -1.555 -11.620 -11.155 426 HE21 GLN 52 HE21 GLN 52 -3.920 -13.674 -11.079 427 HE22 GLN 52 HE22 GLN 52 -5.196 -12.877 -11.971 428 H LYS 53 H LYS 53 0.542 -13.779 -7.191 429 HA LYS 53 HA LYS 53 -1.100 -15.761 -5.854 430 HB2 LYS 53 HB2 LYS 53 1.147 -16.083 -7.002 431 HB3 LYS 53 HB3 LYS 53 1.898 -15.244 -5.634 432 HG2 LYS 53 HG2 LYS 53 1.133 -16.999 -4.102 433 HG3 LYS 53 HG3 LYS 53 0.179 -17.757 -5.403 434 HD2 LYS 53 HD2 LYS 53 2.264 -18.131 -6.709 435 HD3 LYS 53 HD3 LYS 53 3.206 -17.389 -5.389 436 HE2 LYS 53 HE2 LYS 53 2.368 -19.151 -3.846 437 HE3 LYS 53 HE3 LYS 53 1.491 -19.905 -5.186 438 HZ1 LYS 53 HZ1 LYS 53 3.649 -20.244 -6.276 439 HZ2 LYS 53 HZ2 LYS 53 3.593 -20.958 -4.791 440 HZ3 LYS 53 HZ3 LYS 53 4.409 -19.542 -4.980 441 H MET 54 H MET 54 -1.930 -15.529 -3.797 442 HA MET 54 HA MET 54 -1.048 -13.240 -2.132 443 HB2 MET 54 HB2 MET 54 -3.379 -15.110 -1.627 444 HB3 MET 54 HB3 MET 54 -3.141 -13.474 -0.967 445 HG2 MET 54 HG2 MET 54 -3.596 -12.513 -3.145 446 HG3 MET 54 HG3 MET 54 -3.595 -14.135 -3.872 447 HE1 MET 54 HE1 MET 54 -5.388 -12.992 -5.193 448 HE2 MET 54 HE2 MET 54 -5.516 -14.759 -5.099 449 HE3 MET 54 HE3 MET 54 -6.973 -13.758 -4.955 450 H GLU 55 H GLU 55 0.228 -13.795 -0.253 451 HA GLU 55 HA GLU 55 0.321 -16.668 0.451 452 HB2 GLU 55 HB2 GLU 55 1.896 -14.197 1.048 453 HB3 GLU 55 HB3 GLU 55 2.066 -15.604 2.111 454 HG2 GLU 55 HG2 GLU 55 2.309 -15.922 -0.907 455 HG3 GLU 55 HG3 GLU 55 3.683 -15.369 0.036 456 H ASN 56 H ASN 56 -1.089 -13.646 1.654 457 HA ASN 56 HA ASN 56 -2.516 -15.208 3.722 458 HB2 ASN 56 HB2 ASN 56 -0.494 -14.395 4.882 459 HB3 ASN 56 HB3 ASN 56 -0.806 -12.759 4.300 460 HD21 ASN 56 HD21 ASN 56 -0.892 -12.017 6.504 461 HD22 ASN 56 HD22 ASN 56 -2.225 -12.458 7.568 462 HA PRO 57 HA PRO 57 -5.108 -11.944 1.599 463 HB2 PRO 57 HB2 PRO 57 -7.217 -13.779 1.083 464 HB3 PRO 57 HB3 PRO 57 -6.101 -13.046 -0.088 465 HG2 PRO 57 HG2 PRO 57 -6.177 -15.806 0.846 466 HG3 PRO 57 HG3 PRO 57 -5.167 -15.076 -0.442 467 HD2 PRO 57 HD2 PRO 57 -4.431 -15.816 2.297 468 HD3 PRO 57 HD3 PRO 57 -3.380 -15.226 0.983 469 H ARG 58 H ARG 58 -6.529 -10.833 2.856 470 HA ARG 58 HA ARG 58 -8.071 -12.267 4.979 471 HB2 ARG 58 HB2 ARG 58 -7.147 -9.355 4.975 472 HB3 ARG 58 HB3 ARG 58 -8.257 -10.061 6.145 473 HG2 ARG 58 HG2 ARG 58 -5.353 -10.893 5.795 474 HG3 ARG 58 HG3 ARG 58 -6.006 -9.796 7.027 475 HD2 ARG 58 HD2 ARG 58 -7.471 -11.640 7.852 476 HD3 ARG 58 HD3 ARG 58 -6.665 -12.720 6.690 477 HE ARG 58 HE ARG 58 -4.766 -11.299 8.320 478 HH11 ARG 58 HH11 ARG 58 -6.784 -14.237 8.415 479 HH12 ARG 58 HH12 ARG 58 -6.208 -14.696 9.995 480 HH21 ARG 58 HH21 ARG 58 -3.806 -12.079 10.128 481 HH22 ARG 58 HH22 ARG 58 -4.348 -13.510 10.932 482 H GLU 59 H GLU 59 -10.153 -10.775 5.380 483 HA GLU 59 HA GLU 59 -11.037 -9.518 2.829 484 HB2 GLU 59 HB2 GLU 59 -12.674 -11.379 4.601 485 HB3 GLU 59 HB3 GLU 59 -13.371 -10.288 3.395 486 HG2 GLU 59 HG2 GLU 59 -11.754 -11.341 1.720 487 HG3 GLU 59 HG3 GLU 59 -11.528 -12.638 2.870 488 H VAL 60 H VAL 60 -10.161 -8.833 5.914 489 HA VAL 60 HA VAL 60 -11.193 -6.207 5.776 490 HB VAL 60 HB VAL 60 -12.963 -7.210 6.845 491 HG11 VAL 60 HG11 VAL 60 -12.989 -8.632 8.757 492 HG12 VAL 60 HG12 VAL 60 -12.237 -9.360 7.353 493 HG13 VAL 60 HG13 VAL 60 -11.193 -8.763 8.685 494 HG21 VAL 60 HG21 VAL 60 -13.015 -6.359 9.189 495 HG22 VAL 60 HG22 VAL 60 -11.254 -6.184 9.177 496 HG23 VAL 60 HG23 VAL 60 -12.256 -5.175 8.130 497 H VAL 61 H VAL 61 -9.971 -4.817 7.245 498 HA VAL 61 HA VAL 61 -7.395 -5.899 8.183 499 HB VAL 61 HB VAL 61 -6.211 -4.271 6.759 500 HG11 VAL 61 HG11 VAL 61 -6.276 -5.427 4.675 501 HG12 VAL 61 HG12 VAL 61 -6.621 -6.649 5.926 502 HG13 VAL 61 HG13 VAL 61 -7.940 -5.987 4.932 503 HG21 VAL 61 HG21 VAL 61 -7.374 -3.200 4.843 504 HG22 VAL 61 HG22 VAL 61 -8.927 -3.727 5.469 505 HG23 VAL 61 HG23 VAL 61 -7.945 -2.576 6.394 506 H GLU 62 H GLU 62 -6.076 -3.930 9.140 507 HA GLU 62 HA GLU 62 -7.882 -2.442 10.932 508 HB2 GLU 62 HB2 GLU 62 -4.844 -2.585 10.721 509 HB3 GLU 62 HB3 GLU 62 -5.710 -1.664 11.933 510 HG2 GLU 62 HG2 GLU 62 -6.556 -3.553 13.030 511 HG3 GLU 62 HG3 GLU 62 -6.213 -4.579 11.650 512 H ILE 63 H ILE 63 -7.488 -0.201 11.270 513 HA ILE 63 HA ILE 63 -7.041 1.415 8.810 514 HB ILE 63 HB ILE 63 -7.566 2.587 11.552 515 HG12 ILE 63 HG12 ILE 63 -9.718 1.884 9.539 516 HG13 ILE 63 HG13 ILE 63 -9.367 0.982 11.013 517 HG21 ILE 63 HG21 ILE 63 -8.287 4.534 10.270 518 HG22 ILE 63 HG22 ILE 63 -6.701 4.021 9.696 519 HG23 ILE 63 HG23 ILE 63 -8.164 3.598 8.764 520 HD11 ILE 63 HD11 ILE 63 -10.358 3.842 10.879 521 HD12 ILE 63 HD12 ILE 63 -11.200 2.430 11.541 522 HD13 ILE 63 HD13 ILE 63 -9.765 3.056 12.365 523 H GLY 64 H GLY 64 -5.036 0.456 8.749 524 HA2 GLY 64 HA2 GLY 64 -2.697 1.897 9.414 525 HA3 GLY 64 HA3 GLY 64 -2.998 0.871 10.806 526 H ASP 65 H ASP 65 -4.040 -0.703 7.852 527 HA ASP 65 HA ASP 65 -1.468 -2.185 7.787 528 HB2 ASP 65 HB2 ASP 65 -4.269 -3.046 7.040 529 HB3 ASP 65 HB3 ASP 65 -2.867 -4.041 6.791 530 H VAL 66 H VAL 66 -1.240 -3.319 5.545 531 HA VAL 66 HA VAL 66 -2.084 -1.550 3.329 532 HB VAL 66 HB VAL 66 0.737 -2.348 4.141 533 HG11 VAL 66 HG11 VAL 66 1.561 -1.288 2.080 534 HG12 VAL 66 HG12 VAL 66 0.664 -2.780 1.770 535 HG13 VAL 66 HG13 VAL 66 -0.122 -1.195 1.482 536 HG21 VAL 66 HG21 VAL 66 -0.034 -0.437 5.217 537 HG22 VAL 66 HG22 VAL 66 1.077 0.142 3.966 538 HG23 VAL 66 HG23 VAL 66 -0.698 0.279 3.735 539 H GLY 67 H GLY 67 -2.655 -2.626 1.603 540 HA2 GLY 67 HA2 GLY 67 -2.053 -5.548 1.482 541 HA3 GLY 67 HA3 GLY 67 -3.649 -4.898 1.050 542 H TYR 68 H TYR 68 -1.932 -6.518 -0.580 543 HA TYR 68 HA TYR 68 -1.232 -4.547 -2.739 544 HB2 TYR 68 HB2 TYR 68 -0.428 -7.453 -2.308 545 HB3 TYR 68 HB3 TYR 68 -0.249 -6.619 -3.831 546 HD1 TYR 68 HD1 TYR 68 0.464 -5.437 -0.258 547 HD2 TYR 68 HD2 TYR 68 2.039 -6.319 -4.192 548 HE1 TYR 68 HE1 TYR 68 2.521 -4.338 0.343 549 HE2 TYR 68 HE2 TYR 68 4.156 -5.233 -3.569 550 HH TYR 68 HH TYR 68 4.461 -3.482 -0.443 551 H TRP 69 H TRP 69 -2.427 -4.482 -4.559 552 HA TRP 69 HA TRP 69 -4.869 -6.074 -4.627 553 HB2 TRP 69 HB2 TRP 69 -4.790 -3.440 -4.568 554 HB3 TRP 69 HB3 TRP 69 -4.452 -3.553 -6.272 555 HD1 TRP 69 HD1 TRP 69 -6.855 -5.395 -3.917 556 HE1 TRP 69 HE1 TRP 69 -9.223 -5.147 -4.631 557 HE3 TRP 69 HE3 TRP 69 -6.110 -2.622 -8.170 558 HZ2 TRP 69 HZ2 TRP 69 -10.691 -4.083 -6.850 559 HZ3 TRP 69 HZ3 TRP 69 -8.094 -1.970 -9.540 560 HH2 TRP 69 HH2 TRP 69 -10.396 -2.701 -8.828 561 HA PRO 70 HA PRO 70 -2.333 -7.809 -7.999 562 HB2 PRO 70 HB2 PRO 70 -3.526 -10.254 -8.177 563 HB3 PRO 70 HB3 PRO 70 -2.325 -9.751 -6.933 564 HG2 PRO 70 HG2 PRO 70 -5.227 -10.124 -6.628 565 HG3 PRO 70 HG3 PRO 70 -3.937 -10.512 -5.490 566 HD2 PRO 70 HD2 PRO 70 -5.425 -8.122 -5.400 567 HD3 PRO 70 HD3 PRO 70 -3.898 -8.379 -4.667 568 HA PRO 71 HA PRO 71 -6.076 -8.796 -10.711 569 HB2 PRO 71 HB2 PRO 71 -8.607 -7.913 -10.212 570 HB3 PRO 71 HB3 PRO 71 -7.917 -9.365 -9.432 571 HG2 PRO 71 HG2 PRO 71 -8.193 -6.583 -8.258 572 HG3 PRO 71 HG3 PRO 71 -8.386 -8.177 -7.416 573 HD2 PRO 71 HD2 PRO 71 -6.179 -6.764 -7.194 574 HD3 PRO 71 HD3 PRO 71 -6.299 -8.556 -7.158 575 H GLY 72 H GLY 72 -6.056 -5.576 -9.297 576 HA2 GLY 72 HA2 GLY 72 -6.014 -4.329 -11.992 577 HA3 GLY 72 HA3 GLY 72 -6.659 -3.554 -10.563 578 H LYS 73 H LYS 73 -3.740 -5.517 -10.305 579 HA LYS 73 HA LYS 73 -1.623 -4.948 -9.586 580 HB2 LYS 73 HB2 LYS 73 -2.115 -3.798 -12.315 581 HB3 LYS 73 HB3 LYS 73 -0.529 -3.597 -11.571 582 HG2 LYS 73 HG2 LYS 73 -0.020 -5.845 -11.569 583 HG3 LYS 73 HG3 LYS 73 -1.701 -6.382 -11.648 584 HD2 LYS 73 HD2 LYS 73 -0.577 -4.776 -13.941 585 HD3 LYS 73 HD3 LYS 73 -0.122 -6.471 -13.814 586 HE2 LYS 73 HE2 LYS 73 -2.333 -7.257 -14.016 587 HE3 LYS 73 HE3 LYS 73 -3.013 -5.687 -13.574 588 HZ1 LYS 73 HZ1 LYS 73 -3.328 -5.983 -15.875 589 HZ2 LYS 73 HZ2 LYS 73 -1.788 -6.432 -16.158 590 HZ3 LYS 73 HZ3 LYS 73 -2.177 -4.861 -15.763 591 H ALA 74 H ALA 74 -2.579 -3.669 -7.709 592 HA ALA 74 HA ALA 74 -1.209 -1.069 -7.730 593 HB1 ALA 74 HB1 ALA 74 -3.534 -0.533 -8.404 594 HB2 ALA 74 HB2 ALA 74 -4.147 -1.313 -6.925 595 HB3 ALA 74 HB3 ALA 74 -3.148 0.146 -6.818 596 H LEU 75 H LEU 75 -1.500 -0.065 -5.443 597 HA LEU 75 HA LEU 75 -1.076 -2.122 -3.315 598 HB2 LEU 75 HB2 LEU 75 0.555 0.026 -3.897 599 HB3 LEU 75 HB3 LEU 75 -0.612 0.824 -2.857 600 HG LEU 75 HG LEU 75 -0.230 -1.331 -1.296 601 HD11 LEU 75 HD11 LEU 75 1.902 -2.365 -1.579 602 HD12 LEU 75 HD12 LEU 75 2.380 -1.215 -2.857 603 HD13 LEU 75 HD13 LEU 75 1.118 -2.425 -3.149 604 HD21 LEU 75 HD21 LEU 75 1.308 -0.127 -0.009 605 HD22 LEU 75 HD22 LEU 75 0.379 1.096 -0.879 606 HD23 LEU 75 HD23 LEU 75 2.018 0.652 -1.430 607 H CYS 76 H CYS 76 -2.016 -1.099 -1.001 608 HA CYS 76 HA CYS 76 -3.822 1.114 -1.321 609 HB2 CYS 76 HB2 CYS 76 -4.826 -1.597 -0.307 610 HB3 CYS 76 HB3 CYS 76 -5.551 -0.092 0.199 611 HG CYS 76 HG CYS 76 -5.158 -0.079 -2.967 612 H LEU 77 H LEU 77 -3.958 2.351 0.311 613 HA LEU 77 HA LEU 77 -2.902 1.795 2.999 614 HB2 LEU 77 HB2 LEU 77 -3.369 4.159 1.098 615 HB3 LEU 77 HB3 LEU 77 -3.203 4.416 2.821 616 HG LEU 77 HG LEU 77 -1.051 3.530 2.838 617 HD11 LEU 77 HD11 LEU 77 0.430 3.026 1.132 618 HD12 LEU 77 HD12 LEU 77 -0.940 2.928 -0.045 619 HD13 LEU 77 HD13 LEU 77 -0.798 1.818 1.379 620 HD21 LEU 77 HD21 LEU 77 0.093 5.243 1.255 621 HD22 LEU 77 HD22 LEU 77 -1.174 5.882 2.333 622 HD23 LEU 77 HD23 LEU 77 -1.514 5.580 0.635 623 H PHE 78 H PHE 78 -4.664 1.508 4.470 624 HA PHE 78 HA PHE 78 -7.334 2.546 3.655 625 HB2 PHE 78 HB2 PHE 78 -6.723 0.319 5.640 626 HB3 PHE 78 HB3 PHE 78 -8.272 0.795 4.987 627 HD1 PHE 78 HD1 PHE 78 -8.659 0.582 2.427 628 HD2 PHE 78 HD2 PHE 78 -5.425 -1.386 4.498 629 HE1 PHE 78 HE1 PHE 78 -8.557 -1.146 0.652 630 HE2 PHE 78 HE2 PHE 78 -5.321 -3.091 2.703 631 HZ PHE 78 HZ PHE 78 -6.981 -2.995 0.794 632 H PHE 79 H PHE 79 -7.848 4.448 4.698 633 HA PHE 79 HA PHE 79 -6.910 4.814 7.499 634 HB2 PHE 79 HB2 PHE 79 -6.132 7.028 6.994 635 HB3 PHE 79 HB3 PHE 79 -5.263 5.777 6.173 636 HD1 PHE 79 HD1 PHE 79 -5.631 5.385 3.705 637 HD2 PHE 79 HD2 PHE 79 -7.422 8.699 5.751 638 HE1 PHE 79 HE1 PHE 79 -5.839 6.566 1.586 639 HE2 PHE 79 HE2 PHE 79 -7.771 9.865 3.553 640 HZ PHE 79 HZ PHE 79 -6.970 8.795 1.463 641 H GLY 80 H GLY 80 -9.588 4.087 6.666 642 HA2 GLY 80 HA2 GLY 80 -10.766 5.771 8.536 643 HA3 GLY 80 HA3 GLY 80 -11.468 6.200 6.955 644 H LYS 81 H LYS 81 -13.421 5.156 6.733 645 HA LYS 81 HA LYS 81 -13.522 2.302 7.500 646 HB2 LYS 81 HB2 LYS 81 -14.963 3.622 8.891 647 HB3 LYS 81 HB3 LYS 81 -15.694 4.412 7.486 648 HG2 LYS 81 HG2 LYS 81 -16.880 2.501 6.845 649 HG3 LYS 81 HG3 LYS 81 -15.915 1.410 7.872 650 HD2 LYS 81 HD2 LYS 81 -16.883 2.215 9.860 651 HD3 LYS 81 HD3 LYS 81 -17.587 3.643 9.084 652 HE2 LYS 81 HE2 LYS 81 -18.433 0.757 8.561 653 HE3 LYS 81 HE3 LYS 81 -19.245 1.866 9.661 654 HZ1 LYS 81 HZ1 LYS 81 -19.505 3.353 7.650 655 HZ2 LYS 81 HZ2 LYS 81 -20.433 2.020 7.716 656 HZ3 LYS 81 HZ3 LYS 81 -19.121 2.071 6.717 657 H THR 82 H THR 82 -13.536 4.404 4.971 658 HA THR 82 HA THR 82 -13.727 4.314 2.743 659 HB THR 82 HB THR 82 -12.898 2.024 1.763 660 HG1 THR 82 HG1 THR 82 -13.487 0.855 3.741 661 HG21 THR 82 HG21 THR 82 -11.267 3.772 2.089 662 HG22 THR 82 HG22 THR 82 -10.593 2.295 2.729 663 HG23 THR 82 HG23 THR 82 -11.238 3.518 3.842 664 HA PRO 83 HA PRO 83 -17.654 3.654 1.490 665 HB2 PRO 83 HB2 PRO 83 -17.731 3.131 -1.211 666 HB3 PRO 83 HB3 PRO 83 -17.122 4.664 -0.508 667 HG2 PRO 83 HG2 PRO 83 -15.524 2.230 -1.366 668 HG3 PRO 83 HG3 PRO 83 -15.230 3.947 -1.797 669 HD2 PRO 83 HD2 PRO 83 -13.873 2.793 0.209 670 HD3 PRO 83 HD3 PRO 83 -14.489 4.456 0.389 671 H MET 84 H MET 84 -15.865 0.652 0.769 672 HA MET 84 HA MET 84 -18.420 -0.814 0.349 673 HB2 MET 84 HB2 MET 84 -15.547 -1.600 -0.190 674 HB3 MET 84 HB3 MET 84 -16.917 -2.700 -0.298 675 HG2 MET 84 HG2 MET 84 -16.666 -0.139 -1.928 676 HG3 MET 84 HG3 MET 84 -16.092 -1.714 -2.445 677 HE1 MET 84 HE1 MET 84 -19.461 0.174 -1.315 678 HE2 MET 84 HE2 MET 84 -18.715 0.770 -2.817 679 HE3 MET 84 HE3 MET 84 -20.271 -0.083 -2.872 680 H SER 85 H SER 85 -18.832 -0.216 2.666 681 HA SER 85 HA SER 85 -18.251 -2.532 4.241 682 HB2 SER 85 HB2 SER 85 -17.413 -1.151 6.219 683 HB3 SER 85 HB3 SER 85 -16.262 -1.358 4.878 684 HG SER 85 HG SER 85 -16.187 0.788 5.065 685 H ASP 86 H ASP 86 -19.446 -2.365 6.329 686 HA ASP 86 HA ASP 86 -21.057 0.003 6.716 687 HB2 ASP 86 HB2 ASP 86 -22.472 -2.048 5.595 688 HB3 ASP 86 HB3 ASP 86 -22.693 -2.413 7.301 689 H ASP 87 H ASP 87 -20.144 -3.278 7.798 690 HA ASP 87 HA ASP 87 -20.255 -2.662 10.653 691 HB2 ASP 87 HB2 ASP 87 -19.023 -4.954 9.040 692 HB3 ASP 87 HB3 ASP 87 -18.911 -4.837 10.790 693 H LYS 88 H LYS 88 -17.693 -3.282 8.235 694 HA LYS 88 HA LYS 88 -15.540 -2.448 10.119 695 HB2 LYS 88 HB2 LYS 88 -14.629 -4.698 10.060 696 HB3 LYS 88 HB3 LYS 88 -16.320 -4.826 10.550 697 HG2 LYS 88 HG2 LYS 88 -16.759 -5.265 7.976 698 HG3 LYS 88 HG3 LYS 88 -15.020 -5.494 7.899 699 HD2 LYS 88 HD2 LYS 88 -15.640 -7.632 8.111 700 HD3 LYS 88 HD3 LYS 88 -15.471 -7.269 9.825 701 HE2 LYS 88 HE2 LYS 88 -18.163 -6.878 8.454 702 HE3 LYS 88 HE3 LYS 88 -17.590 -8.514 8.752 703 HZ1 LYS 88 HZ1 LYS 88 -18.994 -7.787 10.472 704 HZ2 LYS 88 HZ2 LYS 88 -18.051 -6.519 10.867 705 HZ3 LYS 88 HZ3 LYS 88 -17.505 -8.054 11.101 706 H ILE 89 H ILE 89 -13.353 -2.522 8.979 707 HA ILE 89 HA ILE 89 -13.604 -1.405 6.318 708 HB ILE 89 HB ILE 89 -11.194 -1.922 8.086 709 HG12 ILE 89 HG12 ILE 89 -11.727 0.850 7.687 710 HG13 ILE 89 HG13 ILE 89 -13.294 0.145 8.039 711 HG21 ILE 89 HG21 ILE 89 -11.366 -0.286 5.519 712 HG22 ILE 89 HG22 ILE 89 -10.003 -0.261 6.664 713 HG23 ILE 89 HG23 ILE 89 -10.385 -1.736 5.796 714 HD11 ILE 89 HD11 ILE 89 -10.792 -0.253 9.714 715 HD12 ILE 89 HD12 ILE 89 -12.057 0.965 10.019 716 HD13 ILE 89 HD13 ILE 89 -12.442 -0.768 10.145 717 H GLN 90 H GLN 90 -14.592 -3.346 5.467 718 HA GLN 90 HA GLN 90 -12.787 -5.431 4.524 719 HB2 GLN 90 HB2 GLN 90 -15.573 -4.504 3.667 720 HB3 GLN 90 HB3 GLN 90 -14.679 -5.838 2.936 721 HG2 GLN 90 HG2 GLN 90 -14.476 -6.729 5.422 722 HG3 GLN 90 HG3 GLN 90 -15.771 -5.606 5.772 723 HE21 GLN 90 HE21 GLN 90 -15.120 -7.847 2.984 724 HE22 GLN 90 HE22 GLN 90 -16.640 -8.658 3.080 725 HA PRO 91 HA PRO 91 -11.426 -2.777 1.089 726 HB2 PRO 91 HB2 PRO 91 -9.983 -4.582 -0.299 727 HB3 PRO 91 HB3 PRO 91 -9.423 -4.011 1.277 728 HG2 PRO 91 HG2 PRO 91 -10.966 -6.566 0.718 729 HG3 PRO 91 HG3 PRO 91 -9.486 -6.366 1.701 730 HD2 PRO 91 HD2 PRO 91 -12.008 -6.467 2.696 731 HD3 PRO 91 HD3 PRO 91 -10.722 -5.482 3.475 732 H ALA 92 H ALA 92 -11.256 -3.173 -1.450 733 HA ALA 92 HA ALA 92 -13.795 -3.778 -2.470 734 HB1 ALA 92 HB1 ALA 92 -11.094 -3.650 -3.919 735 HB2 ALA 92 HB2 ALA 92 -12.662 -3.632 -4.720 736 HB3 ALA 92 HB3 ALA 92 -12.203 -2.292 -3.647 737 H SER 93 H SER 93 -10.963 -5.832 -1.994 738 HA SER 93 HA SER 93 -12.495 -8.247 -2.258 739 HB2 SER 93 HB2 SER 93 -12.142 -7.767 -4.647 740 HB3 SER 93 HB3 SER 93 -10.395 -7.609 -4.391 741 HG SER 93 HG SER 93 -10.824 -9.661 -5.143 742 H ALA 94 H ALA 94 -10.890 -10.097 -2.054 743 HA ALA 94 HA ALA 94 -9.470 -9.842 0.352 744 HB1 ALA 94 HB1 ALA 94 -10.324 -11.988 -0.487 745 HB2 ALA 94 HB2 ALA 94 -9.137 -11.956 -1.817 746 HB3 ALA 94 HB3 ALA 94 -8.589 -12.097 -0.136 747 H VAL 95 H VAL 95 -7.828 -8.430 0.607 748 HA VAL 95 HA VAL 95 -5.524 -8.608 -1.299 749 HB VAL 95 HB VAL 95 -4.703 -6.535 -0.320 750 HG11 VAL 95 HG11 VAL 95 -5.730 -6.468 -2.418 751 HG12 VAL 95 HG12 VAL 95 -7.354 -6.647 -1.768 752 HG13 VAL 95 HG13 VAL 95 -6.486 -5.134 -1.520 753 HG21 VAL 95 HG21 VAL 95 -7.447 -6.174 0.925 754 HG22 VAL 95 HG22 VAL 95 -5.940 -6.473 1.833 755 HG23 VAL 95 HG23 VAL 95 -6.116 -5.005 0.882 756 H ASN 96 H ASN 96 -3.520 -8.869 -0.369 757 HA ASN 96 HA ASN 96 -3.554 -10.458 2.042 758 HB2 ASN 96 HB2 ASN 96 -1.108 -10.564 1.707 759 HB3 ASN 96 HB3 ASN 96 -2.094 -11.299 0.439 760 HD21 ASN 96 HD21 ASN 96 -0.478 -11.163 -1.160 761 HD22 ASN 96 HD22 ASN 96 0.240 -9.696 -1.713 762 H VAL 97 H VAL 97 -1.907 -9.966 3.829 763 HA VAL 97 HA VAL 97 -1.921 -7.052 4.280 764 HB VAL 97 HB VAL 97 -2.399 -9.203 6.363 765 HG11 VAL 97 HG11 VAL 97 -2.267 -6.165 6.558 766 HG12 VAL 97 HG12 VAL 97 -3.056 -7.172 7.793 767 HG13 VAL 97 HG13 VAL 97 -1.334 -7.348 7.485 768 HG21 VAL 97 HG21 VAL 97 -4.370 -8.926 4.943 769 HG22 VAL 97 HG22 VAL 97 -4.671 -8.090 6.472 770 HG23 VAL 97 HG23 VAL 97 -4.239 -7.157 5.034 771 H ILE 98 H ILE 98 0.049 -8.052 2.850 772 HA ILE 98 HA ILE 98 2.237 -9.065 4.455 773 HB ILE 98 HB ILE 98 3.568 -8.890 2.477 774 HG12 ILE 98 HG12 ILE 98 1.295 -7.424 1.111 775 HG13 ILE 98 HG13 ILE 98 2.895 -6.785 1.521 776 HG21 ILE 98 HG21 ILE 98 1.838 -10.758 2.816 777 HG22 ILE 98 HG22 ILE 98 0.882 -9.909 1.592 778 HG23 ILE 98 HG23 ILE 98 2.465 -10.560 1.169 779 HD11 ILE 98 HD11 ILE 98 3.084 -7.377 -0.765 780 HD12 ILE 98 HD12 ILE 98 3.865 -8.700 0.099 781 HD13 ILE 98 HD13 ILE 98 2.218 -8.901 -0.537 782 H GLY 99 H GLY 99 0.989 -5.850 3.937 783 HA2 GLY 99 HA2 GLY 99 3.572 -4.638 4.778 784 HA3 GLY 99 HA3 GLY 99 2.357 -3.857 3.800 785 H LYS 100 H LYS 100 3.325 -2.865 6.287 786 HA LYS 100 HA LYS 100 0.713 -2.544 7.666 787 HB2 LYS 100 HB2 LYS 100 2.302 -3.975 9.049 788 HB3 LYS 100 HB3 LYS 100 3.462 -2.707 8.950 789 HG2 LYS 100 HG2 LYS 100 2.638 -2.474 11.082 790 HG3 LYS 100 HG3 LYS 100 1.889 -1.165 10.145 791 HD2 LYS 100 HD2 LYS 100 -0.023 -2.777 9.687 792 HD3 LYS 100 HD3 LYS 100 0.732 -3.862 10.841 793 HE2 LYS 100 HE2 LYS 100 0.460 -2.199 12.657 794 HE3 LYS 100 HE3 LYS 100 -0.163 -1.026 11.447 795 HZ1 LYS 100 HZ1 LYS 100 -1.440 -3.605 12.184 796 HZ2 LYS 100 HZ2 LYS 100 -1.986 -2.624 11.017 797 HZ3 LYS 100 HZ3 LYS 100 -1.970 -2.133 12.616 798 H ILE 101 H ILE 101 0.287 -0.302 8.231 799 HA ILE 101 HA ILE 101 2.141 1.669 7.125 800 HB ILE 101 HB ILE 101 -0.503 2.026 8.602 801 HG12 ILE 101 HG12 ILE 101 -0.039 2.303 5.618 802 HG13 ILE 101 HG13 ILE 101 -0.920 1.001 6.452 803 HG21 ILE 101 HG21 ILE 101 1.373 4.041 7.257 804 HG22 ILE 101 HG22 ILE 101 -0.273 4.442 7.801 805 HG23 ILE 101 HG23 ILE 101 0.936 3.958 8.959 806 HD11 ILE 101 HD11 ILE 101 -1.818 3.900 6.340 807 HD12 ILE 101 HD12 ILE 101 -2.521 2.499 5.487 808 HD13 ILE 101 HD13 ILE 101 -2.617 2.582 7.247 809 H VAL 102 H VAL 102 3.825 1.990 8.208 810 HA VAL 102 HA VAL 102 3.748 1.139 11.061 811 HB VAL 102 HB VAL 102 5.240 0.357 8.928 812 HG11 VAL 102 HG11 VAL 102 7.132 2.379 10.024 813 HG12 VAL 102 HG12 VAL 102 7.431 1.149 8.803 814 HG13 VAL 102 HG13 VAL 102 6.304 2.481 8.454 815 HG21 VAL 102 HG21 VAL 102 5.887 0.385 11.799 816 HG22 VAL 102 HG22 VAL 102 4.935 -0.749 10.801 817 HG23 VAL 102 HG23 VAL 102 6.729 -0.638 10.597 818 H GLU 103 H GLU 103 4.348 3.879 8.922 819 HA GLU 103 HA GLU 103 4.108 5.771 11.173 820 HB2 GLU 103 HB2 GLU 103 6.280 5.806 9.028 821 HB3 GLU 103 HB3 GLU 103 5.926 7.140 9.959 822 HG2 GLU 103 HG2 GLU 103 6.370 5.561 12.041 823 HG3 GLU 103 HG3 GLU 103 7.249 4.734 10.743 824 H GLY 104 H GLY 104 3.540 7.806 10.303 825 HA2 GLY 104 HA2 GLY 104 2.465 9.152 8.549 826 HA3 GLY 104 HA3 GLY 104 3.047 7.949 7.549 827 H LEU 105 H LEU 105 0.547 7.880 10.184 828 HA LEU 105 HA LEU 105 -1.369 6.718 8.221 829 HB2 LEU 105 HB2 LEU 105 -1.235 5.788 10.563 830 HB3 LEU 105 HB3 LEU 105 -1.762 7.356 11.166 831 HG LEU 105 HG LEU 105 -3.876 7.118 9.771 832 HD11 LEU 105 HD11 LEU 105 -4.473 4.804 9.015 833 HD12 LEU 105 HD12 LEU 105 -2.823 4.274 9.382 834 HD13 LEU 105 HD13 LEU 105 -3.124 5.463 8.098 835 HD21 LEU 105 HD21 LEU 105 -3.804 6.580 12.188 836 HD22 LEU 105 HD22 LEU 105 -3.403 4.900 11.787 837 HD23 LEU 105 HD23 LEU 105 -4.963 5.581 11.288 838 H GLU 106 H GLU 106 -0.893 9.624 10.306 839 HA GLU 106 HA GLU 106 -3.431 10.719 9.521 840 HB2 GLU 106 HB2 GLU 106 -1.147 12.026 11.059 841 HB3 GLU 106 HB3 GLU 106 -2.831 12.580 10.981 842 HG2 GLU 106 HG2 GLU 106 -3.531 10.314 11.889 843 HG3 GLU 106 HG3 GLU 106 -1.835 9.949 12.167 844 H ASP 107 H ASP 107 -0.236 11.050 8.175 845 HA ASP 107 HA ASP 107 -0.841 13.494 6.677 846 HB2 ASP 107 HB2 ASP 107 1.521 12.111 7.422 847 HB3 ASP 107 HB3 ASP 107 1.441 11.992 5.666 848 H LEU 108 H LEU 108 -2.148 10.467 6.355 849 HA LEU 108 HA LEU 108 -2.073 10.267 3.434 850 HB2 LEU 108 HB2 LEU 108 -3.651 8.874 5.619 851 HB3 LEU 108 HB3 LEU 108 -4.161 8.757 3.946 852 HG LEU 108 HG LEU 108 -2.208 7.630 3.233 853 HD11 LEU 108 HD11 LEU 108 -0.326 7.079 4.651 854 HD12 LEU 108 HD12 LEU 108 -0.947 8.203 5.887 855 HD13 LEU 108 HD13 LEU 108 -0.447 8.810 4.281 856 HD21 LEU 108 HD21 LEU 108 -3.729 6.169 4.522 857 HD22 LEU 108 HD22 LEU 108 -2.838 6.543 6.005 858 HD23 LEU 108 HD23 LEU 108 -2.063 5.645 4.682 859 H LYS 109 H LYS 109 -4.465 11.623 5.826 860 HA LYS 109 HA LYS 109 -6.525 11.840 3.907 861 HB2 LYS 109 HB2 LYS 109 -6.060 13.327 6.518 862 HB3 LYS 109 HB3 LYS 109 -7.546 13.418 5.560 863 HG2 LYS 109 HG2 LYS 109 -7.622 10.874 5.689 864 HG3 LYS 109 HG3 LYS 109 -6.399 10.999 6.967 865 HD2 LYS 109 HD2 LYS 109 -8.213 12.767 7.918 866 HD3 LYS 109 HD3 LYS 109 -9.324 11.795 6.983 867 HE2 LYS 109 HE2 LYS 109 -7.331 10.520 8.901 868 HE3 LYS 109 HE3 LYS 109 -8.805 11.266 9.520 869 HZ1 LYS 109 HZ1 LYS 109 -8.792 8.968 7.635 870 HZ2 LYS 109 HZ2 LYS 109 -10.127 9.743 8.237 871 HZ3 LYS 109 HZ3 LYS 109 -9.144 8.926 9.216 872 H LYS 110 H LYS 110 -3.877 13.900 4.441 873 HA LYS 110 HA LYS 110 -4.968 16.344 3.243 874 HB2 LYS 110 HB2 LYS 110 -2.555 17.097 3.417 875 HB3 LYS 110 HB3 LYS 110 -3.289 16.611 4.944 876 HG2 LYS 110 HG2 LYS 110 -1.953 14.783 5.195 877 HG3 LYS 110 HG3 LYS 110 -1.975 14.393 3.479 878 HD2 LYS 110 HD2 LYS 110 0.237 14.837 4.065 879 HD3 LYS 110 HD3 LYS 110 -0.337 16.102 3.000 880 HE2 LYS 110 HE2 LYS 110 -0.525 17.688 4.808 881 HE3 LYS 110 HE3 LYS 110 -0.321 16.391 6.008 882 HZ1 LYS 110 HZ1 LYS 110 1.756 17.144 4.091 883 HZ2 LYS 110 HZ2 LYS 110 1.878 16.066 5.349 884 HZ3 LYS 110 HZ3 LYS 110 1.702 17.692 5.644 885 H ILE 111 H ILE 111 -3.873 13.450 1.736 886 HA ILE 111 HA ILE 111 -2.439 14.796 -0.437 887 HB ILE 111 HB ILE 111 -3.102 11.854 -0.268 888 HG12 ILE 111 HG12 ILE 111 -1.948 12.364 1.854 889 HG13 ILE 111 HG13 ILE 111 -0.943 11.423 0.790 890 HG21 ILE 111 HG21 ILE 111 -0.870 11.734 -1.506 891 HG22 ILE 111 HG22 ILE 111 -2.170 12.507 -2.405 892 HG23 ILE 111 HG23 ILE 111 -0.917 13.500 -1.636 893 HD11 ILE 111 HD11 ILE 111 0.388 13.446 0.217 894 HD12 ILE 111 HD12 ILE 111 -0.672 14.424 1.258 895 HD13 ILE 111 HD13 ILE 111 0.350 13.153 1.954 896 H LYS 112 H LYS 112 -3.092 14.112 -2.717 897 HA LYS 112 HA LYS 112 -5.980 14.567 -3.096 898 HB2 LYS 112 HB2 LYS 112 -3.859 15.496 -4.997 899 HB3 LYS 112 HB3 LYS 112 -5.557 15.955 -4.951 900 HG2 LYS 112 HG2 LYS 112 -3.447 16.682 -2.904 901 HG3 LYS 112 HG3 LYS 112 -3.954 17.651 -4.262 902 HD2 LYS 112 HD2 LYS 112 -5.945 18.277 -3.331 903 HD3 LYS 112 HD3 LYS 112 -6.121 16.763 -2.443 904 HE2 LYS 112 HE2 LYS 112 -5.710 18.820 -1.035 905 HE3 LYS 112 HE3 LYS 112 -4.727 17.389 -0.715 906 HZ1 LYS 112 HZ1 LYS 112 -3.583 19.656 -0.843 907 HZ2 LYS 112 HZ2 LYS 112 -3.689 19.517 -2.478 908 HZ3 LYS 112 HZ3 LYS 112 -2.861 18.403 -1.621 909 H ASP 113 H ASP 113 -6.272 14.045 -5.566 910 HA ASP 113 HA ASP 113 -5.739 11.240 -5.894 911 HB2 ASP 113 HB2 ASP 113 -7.837 12.618 -6.416 912 HB3 ASP 113 HB3 ASP 113 -6.990 13.098 -7.891 913 H GLY 114 H GLY 114 -3.505 13.518 -6.415 914 HA2 GLY 114 HA2 GLY 114 -2.088 12.053 -8.470 915 HA3 GLY 114 HA3 GLY 114 -2.744 13.577 -9.081 916 H GLU 115 H GLU 115 -0.845 12.231 -6.364 917 HA GLU 115 HA GLU 115 0.796 14.737 -6.256 918 HB2 GLU 115 HB2 GLU 115 -0.373 13.081 -4.014 919 HB3 GLU 115 HB3 GLU 115 0.798 14.369 -3.787 920 HG2 GLU 115 HG2 GLU 115 -1.845 14.906 -5.158 921 HG3 GLU 115 HG3 GLU 115 -1.712 14.831 -3.417 922 H LYS 116 H LYS 116 1.377 12.333 -7.625 923 HA LYS 116 HA LYS 116 3.170 10.830 -7.959 924 HB2 LYS 116 HB2 LYS 116 3.849 13.661 -7.762 925 HB3 LYS 116 HB3 LYS 116 5.256 12.640 -7.540 926 HG2 LYS 116 HG2 LYS 116 4.860 11.447 -9.625 927 HG3 LYS 116 HG3 LYS 116 3.374 12.390 -9.870 928 HD2 LYS 116 HD2 LYS 116 4.808 14.485 -9.606 929 HD3 LYS 116 HD3 LYS 116 6.237 13.447 -9.576 930 HE2 LYS 116 HE2 LYS 116 5.928 12.812 -11.867 931 HE3 LYS 116 HE3 LYS 116 4.316 13.563 -11.928 932 HZ1 LYS 116 HZ1 LYS 116 6.146 15.016 -12.840 933 HZ2 LYS 116 HZ2 LYS 116 6.843 15.008 -11.354 934 HZ3 LYS 116 HZ3 LYS 116 5.383 15.708 -11.530 935 H VAL 117 H VAL 117 2.964 9.327 -6.300 936 HA VAL 117 HA VAL 117 4.392 9.823 -3.750 937 HB VAL 117 HB VAL 117 2.448 8.367 -3.708 938 HG11 VAL 117 HG11 VAL 117 3.983 6.326 -5.355 939 HG12 VAL 117 HG12 VAL 117 2.514 6.015 -4.446 940 HG13 VAL 117 HG13 VAL 117 2.477 7.149 -5.805 941 HG21 VAL 117 HG21 VAL 117 3.400 6.684 -2.274 942 HG22 VAL 117 HG22 VAL 117 5.020 6.961 -2.963 943 HG23 VAL 117 HG23 VAL 117 4.195 8.251 -2.050 944 H ALA 118 H ALA 118 6.620 9.726 -3.760 945 HA ALA 118 HA ALA 118 8.085 8.117 -5.789 946 HB1 ALA 118 HB1 ALA 118 10.005 8.979 -4.273 947 HB2 ALA 118 HB2 ALA 118 9.221 10.170 -5.319 948 HB3 ALA 118 HB3 ALA 118 8.833 10.103 -3.578 949 H VAL 119 H VAL 119 8.557 6.073 -5.155 950 HA VAL 119 HA VAL 119 7.969 5.130 -2.403 951 HB VAL 119 HB VAL 119 7.986 3.665 -5.085 952 HG11 VAL 119 HG11 VAL 119 7.466 2.757 -2.281 953 HG12 VAL 119 HG12 VAL 119 6.744 1.933 -3.679 954 HG13 VAL 119 HG13 VAL 119 8.504 2.081 -3.584 955 HG21 VAL 119 HG21 VAL 119 6.093 5.190 -5.070 956 HG22 VAL 119 HG22 VAL 119 5.527 3.541 -4.862 957 HG23 VAL 119 HG23 VAL 119 5.610 4.628 -3.457 958 H ARG 120 H ARG 120 9.854 4.588 -1.243 959 HA ARG 120 HA ARG 120 12.305 3.859 -2.673 960 HB2 ARG 120 HB2 ARG 120 13.136 5.376 -0.726 961 HB3 ARG 120 HB3 ARG 120 12.964 5.804 -2.417 962 HG2 ARG 120 HG2 ARG 120 10.708 6.854 -1.765 963 HG3 ARG 120 HG3 ARG 120 11.103 6.514 -0.062 964 HD2 ARG 120 HD2 ARG 120 13.190 7.722 -1.784 965 HD3 ARG 120 HD3 ARG 120 11.792 8.760 -1.492 966 HE ARG 120 HE ARG 120 12.169 8.688 0.924 967 HH11 ARG 120 HH11 ARG 120 14.981 7.986 -0.972 968 HH12 ARG 120 HH12 ARG 120 15.988 7.485 0.348 969 HH21 ARG 120 HH21 ARG 120 13.393 8.368 2.682 970 HH22 ARG 120 HH22 ARG 120 15.059 7.917 2.633 971 H PHE 121 H PHE 121 13.945 2.990 -0.958 972 HA PHE 121 HA PHE 121 12.634 0.834 0.492 973 HB2 PHE 121 HB2 PHE 121 15.516 1.726 0.094 974 HB3 PHE 121 HB3 PHE 121 15.076 0.403 1.162 975 HD1 PHE 121 HD1 PHE 121 13.342 -1.306 0.181 976 HD2 PHE 121 HD2 PHE 121 15.811 1.234 -2.183 977 HE1 PHE 121 HE1 PHE 121 13.078 -2.867 -1.728 978 HE2 PHE 121 HE2 PHE 121 15.762 -0.419 -4.080 979 HZ PHE 121 HZ PHE 121 14.407 -2.493 -3.841 980 H ALA 122 H ALA 122 13.408 3.714 1.358 981 HA ALA 122 HA ALA 122 13.547 5.065 3.321 982 HB1 ALA 122 HB1 ALA 122 11.506 3.632 3.963 983 HB2 ALA 122 HB2 ALA 122 12.611 2.695 4.953 984 HB3 ALA 122 HB3 ALA 122 12.408 4.418 5.277 985 H SER 123 H SER 123 15.862 5.222 3.177 986 HA SER 123 HA SER 123 17.579 3.301 4.514 987 HB2 SER 123 HB2 SER 123 18.218 6.147 3.738 988 HB3 SER 123 HB3 SER 123 19.360 4.825 3.992 989 HG SER 123 HG SER 123 18.904 4.001 2.074 990 H SER 124 H SER 124 15.416 5.390 5.732 991 HA SER 124 HA SER 124 14.785 6.163 7.721 992 HB2 SER 124 HB2 SER 124 15.964 6.035 9.791 993 HB3 SER 124 HB3 SER 124 15.932 4.447 9.013 994 HG SER 124 HG SER 124 18.057 5.218 8.089 Start of MODEL 17 1 H1 MET 1 H1 MET 1 9.992 -5.896 4.748 2 HA MET 1 HA MET 1 12.495 -4.510 4.066 3 HB2 MET 1 HB2 MET 1 11.645 -6.151 2.399 4 HB3 MET 1 HB3 MET 1 10.091 -5.317 2.360 5 HG2 MET 1 HG2 MET 1 11.248 -3.269 1.493 6 HG3 MET 1 HG3 MET 1 12.762 -4.143 1.564 7 HE1 MET 1 HE1 MET 1 9.641 -3.247 -0.643 8 HE2 MET 1 HE2 MET 1 9.211 -4.859 -1.277 9 HE3 MET 1 HE3 MET 1 9.120 -4.530 0.456 10 H ARG 2 H ARG 2 12.494 -2.564 4.982 11 HA ARG 2 HA ARG 2 10.065 -1.025 5.260 12 HB2 ARG 2 HB2 ARG 2 13.028 -0.463 5.550 13 HB3 ARG 2 HB3 ARG 2 11.841 0.822 5.734 14 HG2 ARG 2 HG2 ARG 2 10.823 -1.299 7.300 15 HG3 ARG 2 HG3 ARG 2 12.527 -1.346 7.582 16 HD2 ARG 2 HD2 ARG 2 10.986 1.256 7.831 17 HD3 ARG 2 HD3 ARG 2 10.834 0.021 9.065 18 HE ARG 2 HE ARG 2 12.466 1.121 10.019 19 HH11 ARG 2 HH11 ARG 2 13.738 0.724 6.781 20 HH12 ARG 2 HH12 ARG 2 14.492 2.287 6.739 21 HH21 ARG 2 HH21 ARG 2 13.610 3.139 10.041 22 HH22 ARG 2 HH22 ARG 2 14.763 3.486 8.813 23 H VAL 3 H VAL 3 9.520 0.716 4.247 24 HA VAL 3 HA VAL 3 10.680 1.606 1.713 25 HB VAL 3 HB VAL 3 8.022 0.152 1.869 26 HG11 VAL 3 HG11 VAL 3 7.515 0.741 -0.453 27 HG12 VAL 3 HG12 VAL 3 7.522 2.157 0.587 28 HG13 VAL 3 HG13 VAL 3 8.896 1.856 -0.493 29 HG21 VAL 3 HG21 VAL 3 9.773 -1.360 1.300 30 HG22 VAL 3 HG22 VAL 3 9.030 -0.969 -0.242 31 HG23 VAL 3 HG23 VAL 3 10.558 -0.171 0.225 32 H GLU 4 H GLU 4 9.951 3.781 1.106 33 HA GLU 4 HA GLU 4 8.189 5.211 3.019 34 HB2 GLU 4 HB2 GLU 4 10.351 5.687 3.761 35 HB3 GLU 4 HB3 GLU 4 11.033 5.579 2.124 36 HG2 GLU 4 HG2 GLU 4 9.795 7.810 1.712 37 HG3 GLU 4 HG3 GLU 4 9.567 7.835 3.466 38 H LEU 5 H LEU 5 6.812 6.559 2.023 39 HA LEU 5 HA LEU 5 6.822 6.867 -0.911 40 HB2 LEU 5 HB2 LEU 5 4.750 6.538 1.297 41 HB3 LEU 5 HB3 LEU 5 4.302 7.223 -0.240 42 HG LEU 5 HG LEU 5 5.176 5.154 -1.335 43 HD11 LEU 5 HD11 LEU 5 5.284 4.087 1.485 44 HD12 LEU 5 HD12 LEU 5 6.563 4.104 0.243 45 HD13 LEU 5 HD13 LEU 5 5.182 3.047 0.037 46 HD21 LEU 5 HD21 LEU 5 2.884 4.771 0.654 47 HD22 LEU 5 HD22 LEU 5 3.131 3.807 -0.813 48 HD23 LEU 5 HD23 LEU 5 2.728 5.528 -0.937 49 H LEU 6 H LEU 6 7.808 8.818 -1.142 50 HA LEU 6 HA LEU 6 7.052 11.103 0.576 51 HB2 LEU 6 HB2 LEU 6 9.363 10.295 -1.037 52 HB3 LEU 6 HB3 LEU 6 8.844 11.907 -1.481 53 HG LEU 6 HG LEU 6 9.135 11.129 1.439 54 HD11 LEU 6 HD11 LEU 6 11.367 12.143 -0.366 55 HD12 LEU 6 HD12 LEU 6 11.266 10.536 0.388 56 HD13 LEU 6 HD13 LEU 6 11.457 11.971 1.404 57 HD21 LEU 6 HD21 LEU 6 9.449 13.800 -0.015 58 HD22 LEU 6 HD22 LEU 6 9.543 13.546 1.738 59 HD23 LEU 6 HD23 LEU 6 8.008 13.293 0.885 60 H PHE 7 H PHE 7 5.079 11.865 0.051 61 HA PHE 7 HA PHE 7 4.148 12.086 -2.750 62 HB2 PHE 7 HB2 PHE 7 2.886 13.125 -0.227 63 HB3 PHE 7 HB3 PHE 7 2.108 12.857 -1.775 64 HD1 PHE 7 HD1 PHE 7 3.349 11.292 1.340 65 HD2 PHE 7 HD2 PHE 7 1.425 10.587 -2.439 66 HE1 PHE 7 HE1 PHE 7 2.638 9.098 2.155 67 HE2 PHE 7 HE2 PHE 7 0.774 8.325 -1.686 68 HZ PHE 7 HZ PHE 7 1.350 7.563 0.641 69 H GLU 8 H GLU 8 3.238 14.450 -3.286 70 HA GLU 8 HA GLU 8 5.264 16.449 -2.680 71 HB2 GLU 8 HB2 GLU 8 2.504 16.673 -3.919 72 HB3 GLU 8 HB3 GLU 8 3.626 18.020 -3.719 73 HG2 GLU 8 HG2 GLU 8 5.350 16.803 -5.036 74 HG3 GLU 8 HG3 GLU 8 4.219 15.492 -5.347 75 H SER 9 H SER 9 2.108 15.518 -1.249 76 HA SER 9 HA SER 9 2.115 17.887 0.470 77 HB2 SER 9 HB2 SER 9 0.182 15.625 -0.062 78 HB3 SER 9 HB3 SER 9 -0.102 16.759 1.271 79 HG SER 9 HG SER 9 -0.738 17.115 -1.195 80 H GLY 10 H GLY 10 3.475 14.711 0.973 81 HA2 GLY 10 HA2 GLY 10 4.017 15.109 3.746 82 HA3 GLY 10 HA3 GLY 10 2.606 14.051 3.540 83 H LYS 11 H LYS 11 3.969 12.370 4.475 84 HA LYS 11 HA LYS 11 4.927 10.771 2.495 85 HB2 LYS 11 HB2 LYS 11 7.233 10.402 2.944 86 HB3 LYS 11 HB3 LYS 11 7.030 12.139 2.732 87 HG2 LYS 11 HG2 LYS 11 6.836 12.233 5.331 88 HG3 LYS 11 HG3 LYS 11 7.390 10.580 5.310 89 HD2 LYS 11 HD2 LYS 11 9.444 11.596 5.556 90 HD3 LYS 11 HD3 LYS 11 9.357 11.568 3.797 91 HE2 LYS 11 HE2 LYS 11 9.974 13.818 4.375 92 HE3 LYS 11 HE3 LYS 11 8.253 13.898 3.953 93 HZ1 LYS 11 HZ1 LYS 11 7.857 13.669 6.421 94 HZ2 LYS 11 HZ2 LYS 11 8.501 15.083 5.918 95 HZ3 LYS 11 HZ3 LYS 11 9.469 13.964 6.634 96 H CYS 12 H CYS 12 5.055 8.686 3.103 97 HA CYS 12 HA CYS 12 4.573 8.081 5.958 98 HB2 CYS 12 HB2 CYS 12 2.910 6.465 5.494 99 HB3 CYS 12 HB3 CYS 12 2.399 8.005 4.807 100 HG CYS 12 HG CYS 12 1.746 5.784 3.450 101 H VAL 13 H VAL 13 4.853 5.742 6.402 102 HA VAL 13 HA VAL 13 7.354 4.835 5.070 103 HB VAL 13 HB VAL 13 7.094 5.373 8.046 104 HG11 VAL 13 HG11 VAL 13 9.438 4.801 6.220 105 HG12 VAL 13 HG12 VAL 13 9.586 5.247 7.937 106 HG13 VAL 13 HG13 VAL 13 8.761 3.748 7.501 107 HG21 VAL 13 HG21 VAL 13 8.585 7.343 7.685 108 HG22 VAL 13 HG22 VAL 13 8.254 7.210 5.945 109 HG23 VAL 13 HG23 VAL 13 6.932 7.540 7.103 110 H ILE 14 H ILE 14 6.865 2.776 4.590 111 HA ILE 14 HA ILE 14 4.946 1.259 6.287 112 HB ILE 14 HB ILE 14 3.893 0.415 4.345 113 HG12 ILE 14 HG12 ILE 14 5.798 2.025 2.596 114 HG13 ILE 14 HG13 ILE 14 5.859 0.278 2.833 115 HG21 ILE 14 HG21 ILE 14 2.705 2.364 3.574 116 HG22 ILE 14 HG22 ILE 14 3.226 2.720 5.221 117 HG23 ILE 14 HG23 ILE 14 4.102 3.419 3.855 118 HD11 ILE 14 HD11 ILE 14 4.787 0.694 0.745 119 HD12 ILE 14 HD12 ILE 14 3.602 0.029 1.878 120 HD13 ILE 14 HD13 ILE 14 3.584 1.766 1.494 121 H ASP 15 H ASP 15 5.136 -1.052 6.153 122 HA ASP 15 HA ASP 15 7.702 -2.093 4.959 123 HB2 ASP 15 HB2 ASP 15 7.623 -1.576 7.694 124 HB3 ASP 15 HB3 ASP 15 6.488 -2.853 7.721 125 H LEU 16 H LEU 16 7.807 -3.929 4.114 126 HA LEU 16 HA LEU 16 5.340 -5.550 4.156 127 HB2 LEU 16 HB2 LEU 16 7.251 -5.378 1.877 128 HB3 LEU 16 HB3 LEU 16 5.534 -5.737 1.876 129 HG LEU 16 HG LEU 16 6.072 -3.705 0.831 130 HD11 LEU 16 HD11 LEU 16 4.373 -2.284 1.574 131 HD12 LEU 16 HD12 LEU 16 4.556 -2.852 3.244 132 HD13 LEU 16 HD13 LEU 16 3.893 -3.941 2.004 133 HD21 LEU 16 HD21 LEU 16 8.048 -3.123 1.812 134 HD22 LEU 16 HD22 LEU 16 7.106 -2.166 2.995 135 HD23 LEU 16 HD23 LEU 16 6.966 -1.837 1.269 136 H ASN 17 H ASN 17 5.599 -7.495 4.634 137 HA ASN 17 HA ASN 17 8.073 -8.277 5.912 138 HB2 ASN 17 HB2 ASN 17 5.748 -8.963 6.706 139 HB3 ASN 17 HB3 ASN 17 5.849 -10.276 5.516 140 HD21 ASN 17 HD21 ASN 17 5.692 -11.681 7.586 141 HD22 ASN 17 HD22 ASN 17 7.107 -11.842 8.591 142 H GLU 18 H GLU 18 9.693 -9.731 5.430 143 HA GLU 18 HA GLU 18 10.094 -10.033 2.593 144 HB2 GLU 18 HB2 GLU 18 11.880 -10.431 5.015 145 HB3 GLU 18 HB3 GLU 18 12.423 -10.671 3.345 146 HG2 GLU 18 HG2 GLU 18 11.802 -8.403 2.730 147 HG3 GLU 18 HG3 GLU 18 11.162 -8.084 4.337 148 H GLU 19 H GLU 19 8.049 -11.733 3.504 149 HA GLU 19 HA GLU 19 9.127 -14.484 3.100 150 HB2 GLU 19 HB2 GLU 19 7.158 -15.199 4.401 151 HB3 GLU 19 HB3 GLU 19 8.271 -14.203 5.339 152 HG2 GLU 19 HG2 GLU 19 6.891 -12.366 5.398 153 HG3 GLU 19 HG3 GLU 19 6.006 -12.766 3.964 154 H TYR 20 H TYR 20 7.706 -12.087 1.411 155 HA TYR 20 HA TYR 20 5.705 -13.824 -0.007 156 HB2 TYR 20 HB2 TYR 20 5.715 -10.819 0.288 157 HB3 TYR 20 HB3 TYR 20 4.510 -11.774 -0.509 158 HD1 TYR 20 HD1 TYR 20 3.580 -13.837 1.104 159 HD2 TYR 20 HD2 TYR 20 5.043 -9.985 2.409 160 HE1 TYR 20 HE1 TYR 20 2.383 -14.108 3.253 161 HE2 TYR 20 HE2 TYR 20 3.782 -10.218 4.507 162 HH TYR 20 HH TYR 20 2.952 -12.865 5.785 163 H GLU 21 H GLU 21 5.923 -14.085 -2.065 164 HA GLU 21 HA GLU 21 8.034 -13.638 -3.793 165 HB2 GLU 21 HB2 GLU 21 6.046 -15.042 -4.271 166 HB3 GLU 21 HB3 GLU 21 5.034 -13.621 -4.296 167 HG2 GLU 21 HG2 GLU 21 5.228 -13.701 -6.496 168 HG3 GLU 21 HG3 GLU 21 6.769 -12.897 -6.274 169 H VAL 22 H VAL 22 5.068 -11.627 -3.892 170 HA VAL 22 HA VAL 22 6.013 -9.634 -5.433 171 HB VAL 22 HB VAL 22 3.716 -9.975 -4.770 172 HG11 VAL 22 HG11 VAL 22 3.893 -10.598 -2.440 173 HG12 VAL 22 HG12 VAL 22 4.369 -8.943 -2.010 174 HG13 VAL 22 HG13 VAL 22 2.747 -9.285 -2.652 175 HG21 VAL 22 HG21 VAL 22 4.193 -7.774 -5.651 176 HG22 VAL 22 HG22 VAL 22 2.939 -7.703 -4.401 177 HG23 VAL 22 HG23 VAL 22 4.573 -7.159 -4.017 178 H VAL 23 H VAL 23 6.757 -9.788 -1.932 179 HA VAL 23 HA VAL 23 7.786 -7.062 -1.749 180 HB VAL 23 HB VAL 23 8.050 -9.512 0.027 181 HG11 VAL 23 HG11 VAL 23 8.934 -8.036 1.751 182 HG12 VAL 23 HG12 VAL 23 10.042 -8.091 0.375 183 HG13 VAL 23 HG13 VAL 23 8.974 -6.695 0.608 184 HG21 VAL 23 HG21 VAL 23 6.520 -8.127 1.457 185 HG22 VAL 23 HG22 VAL 23 6.418 -6.947 0.131 186 HG23 VAL 23 HG23 VAL 23 5.790 -8.583 -0.081 187 H LYS 24 H LYS 24 9.308 -10.354 -2.458 188 HA LYS 24 HA LYS 24 11.937 -9.309 -2.622 189 HB2 LYS 24 HB2 LYS 24 10.854 -11.676 -4.210 190 HB3 LYS 24 HB3 LYS 24 12.504 -11.401 -3.632 191 HG2 LYS 24 HG2 LYS 24 11.561 -11.475 -1.263 192 HG3 LYS 24 HG3 LYS 24 10.028 -12.012 -2.003 193 HD2 LYS 24 HD2 LYS 24 11.211 -13.922 -3.000 194 HD3 LYS 24 HD3 LYS 24 12.644 -13.421 -2.079 195 HE2 LYS 24 HE2 LYS 24 9.921 -14.252 -0.950 196 HE3 LYS 24 HE3 LYS 24 11.376 -15.241 -0.932 197 HZ1 LYS 24 HZ1 LYS 24 10.969 -12.716 0.567 198 HZ2 LYS 24 HZ2 LYS 24 12.381 -13.582 0.554 199 HZ3 LYS 24 HZ3 LYS 24 11.008 -14.221 1.173 200 H LEU 25 H LEU 25 9.279 -9.539 -5.034 201 HA LEU 25 HA LEU 25 10.918 -8.899 -7.291 202 HB2 LEU 25 HB2 LEU 25 7.954 -8.759 -6.611 203 HB3 LEU 25 HB3 LEU 25 8.557 -8.272 -8.177 204 HG LEU 25 HG LEU 25 7.593 -10.672 -7.569 205 HD11 LEU 25 HD11 LEU 25 9.851 -10.118 -9.528 206 HD12 LEU 25 HD12 LEU 25 8.115 -9.829 -9.832 207 HD13 LEU 25 HD13 LEU 25 8.718 -11.485 -9.656 208 HD21 LEU 25 HD21 LEU 25 9.257 -11.543 -6.120 209 HD22 LEU 25 HD22 LEU 25 10.553 -11.207 -7.282 210 HD23 LEU 25 HD23 LEU 25 9.301 -12.432 -7.615 211 H LEU 26 H LEU 26 8.823 -7.075 -5.065 212 HA LEU 26 HA LEU 26 9.009 -4.496 -6.121 213 HB2 LEU 26 HB2 LEU 26 8.402 -5.758 -3.505 214 HB3 LEU 26 HB3 LEU 26 9.171 -4.232 -3.336 215 HG LEU 26 HG LEU 26 6.547 -4.782 -4.752 216 HD11 LEU 26 HD11 LEU 26 6.434 -4.901 -2.328 217 HD12 LEU 26 HD12 LEU 26 5.631 -3.434 -2.896 218 HD13 LEU 26 HD13 LEU 26 7.241 -3.318 -2.175 219 HD21 LEU 26 HD21 LEU 26 6.268 -2.334 -4.977 220 HD22 LEU 26 HD22 LEU 26 7.671 -2.846 -5.899 221 HD23 LEU 26 HD23 LEU 26 7.899 -2.074 -4.319 222 H LYS 27 H LYS 27 11.286 -6.228 -3.915 223 HA LYS 27 HA LYS 27 12.936 -4.106 -3.329 224 HB2 LYS 27 HB2 LYS 27 13.011 -6.658 -2.595 225 HB3 LYS 27 HB3 LYS 27 14.191 -6.782 -3.910 226 HG2 LYS 27 HG2 LYS 27 15.359 -4.738 -2.725 227 HG3 LYS 27 HG3 LYS 27 14.298 -5.118 -1.377 228 HD2 LYS 27 HD2 LYS 27 16.330 -6.162 -0.876 229 HD3 LYS 27 HD3 LYS 27 15.275 -7.463 -1.422 230 HE2 LYS 27 HE2 LYS 27 17.341 -7.899 -2.457 231 HE3 LYS 27 HE3 LYS 27 16.362 -7.177 -3.738 232 HZ1 LYS 27 HZ1 LYS 27 18.634 -6.326 -3.619 233 HZ2 LYS 27 HZ2 LYS 27 18.385 -5.695 -2.130 234 HZ3 LYS 27 HZ3 LYS 27 17.553 -5.094 -3.393 235 H GLU 28 H GLU 28 12.682 -5.687 -6.474 236 HA GLU 28 HA GLU 28 15.267 -4.591 -7.363 237 HB2 GLU 28 HB2 GLU 28 13.232 -5.944 -9.113 238 HB3 GLU 28 HB3 GLU 28 14.985 -5.888 -9.257 239 HG2 GLU 28 HG2 GLU 28 14.858 -7.251 -6.916 240 HG3 GLU 28 HG3 GLU 28 13.249 -7.634 -7.490 241 H LYS 29 H LYS 29 11.672 -3.809 -7.671 242 HA LYS 29 HA LYS 29 11.974 -2.052 -9.786 243 HB2 LYS 29 HB2 LYS 29 9.949 -2.822 -7.650 244 HB3 LYS 29 HB3 LYS 29 9.643 -1.452 -8.706 245 HG2 LYS 29 HG2 LYS 29 8.720 -3.710 -9.461 246 HG3 LYS 29 HG3 LYS 29 9.615 -2.668 -10.569 247 HD2 LYS 29 HD2 LYS 29 11.367 -4.034 -10.901 248 HD3 LYS 29 HD3 LYS 29 11.076 -4.955 -9.431 249 HE2 LYS 29 HE2 LYS 29 9.058 -5.961 -10.391 250 HE3 LYS 29 HE3 LYS 29 9.166 -4.894 -11.798 251 HZ1 LYS 29 HZ1 LYS 29 10.015 -7.137 -12.254 252 HZ2 LYS 29 HZ2 LYS 29 11.136 -7.001 -11.100 253 HZ3 LYS 29 HZ3 LYS 29 11.200 -6.024 -12.439 254 H ILE 30 H ILE 30 12.051 -1.856 -6.242 255 HA ILE 30 HA ILE 30 11.699 0.961 -5.988 256 HB ILE 30 HB ILE 30 12.906 -1.141 -4.163 257 HG12 ILE 30 HG12 ILE 30 10.080 -0.035 -3.966 258 HG13 ILE 30 HG13 ILE 30 10.418 -1.417 -4.896 259 HG21 ILE 30 HG21 ILE 30 13.489 1.233 -3.438 260 HG22 ILE 30 HG22 ILE 30 11.758 1.529 -3.212 261 HG23 ILE 30 HG23 ILE 30 12.583 0.306 -2.252 262 HD11 ILE 30 HD11 ILE 30 11.305 -2.591 -2.877 263 HD12 ILE 30 HD12 ILE 30 10.948 -1.153 -1.908 264 HD13 ILE 30 HD13 ILE 30 9.628 -2.035 -2.674 265 HA PRO 31 HA PRO 31 12.308 2.840 -5.151 266 HB2 PRO 31 HB2 PRO 31 13.530 5.143 -6.333 267 HB3 PRO 31 HB3 PRO 31 13.420 4.761 -4.603 268 HG2 PRO 31 HG2 PRO 31 15.801 4.775 -6.128 269 HG3 PRO 31 HG3 PRO 31 15.570 4.064 -4.500 270 HD2 PRO 31 HD2 PRO 31 15.629 2.701 -7.172 271 HD3 PRO 31 HD3 PRO 31 16.095 2.075 -5.565 272 H PHE 32 H PHE 32 10.638 3.980 -6.263 273 HA PHE 32 HA PHE 32 10.792 4.494 -8.990 274 HB2 PHE 32 HB2 PHE 32 9.036 3.144 -9.902 275 HB3 PHE 32 HB3 PHE 32 10.253 2.093 -9.216 276 HD1 PHE 32 HD1 PHE 32 9.825 0.962 -7.019 277 HD2 PHE 32 HD2 PHE 32 6.775 3.187 -9.059 278 HE1 PHE 32 HE1 PHE 32 8.096 -0.100 -5.582 279 HE2 PHE 32 HE2 PHE 32 5.047 2.196 -7.611 280 HZ PHE 32 HZ PHE 32 5.699 0.550 -5.832 281 H GLU 33 H GLU 33 8.446 5.432 -9.767 282 HA GLU 33 HA GLU 33 7.220 6.794 -7.453 283 HB2 GLU 33 HB2 GLU 33 7.845 7.952 -10.200 284 HB3 GLU 33 HB3 GLU 33 7.145 8.790 -8.817 285 HG2 GLU 33 HG2 GLU 33 9.369 9.463 -8.890 286 HG3 GLU 33 HG3 GLU 33 9.247 8.338 -7.535 287 H SER 34 H SER 34 5.081 7.748 -8.124 288 HA SER 34 HA SER 34 3.743 6.664 -10.451 289 HB2 SER 34 HB2 SER 34 3.943 4.707 -8.693 290 HB3 SER 34 HB3 SER 34 2.645 5.573 -7.868 291 HG SER 34 HG SER 34 2.700 4.720 -10.597 292 H VAL 35 H VAL 35 1.155 6.851 -9.935 293 HA VAL 35 HA VAL 35 0.692 9.635 -9.009 294 HB VAL 35 HB VAL 35 -1.285 7.971 -10.615 295 HG11 VAL 35 HG11 VAL 35 -2.122 10.030 -9.527 296 HG12 VAL 35 HG12 VAL 35 -0.839 10.984 -10.312 297 HG13 VAL 35 HG13 VAL 35 -2.113 10.213 -11.276 298 HG21 VAL 35 HG21 VAL 35 -0.504 9.072 -12.672 299 HG22 VAL 35 HG22 VAL 35 0.893 9.726 -11.788 300 HG23 VAL 35 HG23 VAL 35 0.689 7.974 -11.990 301 H VAL 36 H VAL 36 -0.524 9.871 -7.219 302 HA VAL 36 HA VAL 36 -1.592 7.625 -5.703 303 HB VAL 36 HB VAL 36 -2.250 10.567 -5.286 304 HG11 VAL 36 HG11 VAL 36 -1.475 8.772 -3.054 305 HG12 VAL 36 HG12 VAL 36 -2.459 10.222 -3.071 306 HG13 VAL 36 HG13 VAL 36 -3.143 8.759 -3.764 307 HG21 VAL 36 HG21 VAL 36 0.172 10.695 -5.648 308 HG22 VAL 36 HG22 VAL 36 -0.245 11.015 -3.992 309 HG23 VAL 36 HG23 VAL 36 0.419 9.427 -4.419 310 H ASN 37 H ASN 37 -3.534 6.753 -6.290 311 HA ASN 37 HA ASN 37 -5.659 8.518 -7.415 312 HB2 ASN 37 HB2 ASN 37 -5.571 5.480 -7.425 313 HB3 ASN 37 HB3 ASN 37 -6.840 6.494 -8.091 314 HD21 ASN 37 HD21 ASN 37 -3.462 5.524 -8.478 315 HD22 ASN 37 HD22 ASN 37 -3.441 5.627 -10.227 316 H THR 38 H THR 38 -7.727 8.162 -6.199 317 HA THR 38 HA THR 38 -7.337 7.134 -3.440 318 HB THR 38 HB THR 38 -8.193 9.338 -2.603 319 HG1 THR 38 HG1 THR 38 -8.004 9.923 -5.339 320 HG21 THR 38 HG21 THR 38 -5.595 9.714 -4.150 321 HG22 THR 38 HG22 THR 38 -5.760 8.823 -2.617 322 HG23 THR 38 HG23 THR 38 -6.128 10.550 -2.679 323 H TRP 39 H TRP 39 -9.308 6.473 -2.433 324 HA TRP 39 HA TRP 39 -11.791 6.627 -4.040 325 HB2 TRP 39 HB2 TRP 39 -10.557 4.879 -5.104 326 HB3 TRP 39 HB3 TRP 39 -10.122 4.150 -3.572 327 HD1 TRP 39 HD1 TRP 39 -13.103 4.518 -5.945 328 HE1 TRP 39 HE1 TRP 39 -14.623 2.428 -5.617 329 HE3 TRP 39 HE3 TRP 39 -10.887 2.535 -1.808 330 HZ2 TRP 39 HZ2 TRP 39 -14.807 0.201 -3.757 331 HZ3 TRP 39 HZ3 TRP 39 -11.671 0.406 -0.839 332 HH2 TRP 39 HH2 TRP 39 -13.616 -0.759 -1.793 333 H GLY 40 H GLY 40 -12.864 7.529 -2.354 334 HA2 GLY 40 HA2 GLY 40 -13.882 7.756 -0.340 335 HA3 GLY 40 HA3 GLY 40 -14.148 6.030 -0.543 336 H GLU 41 H GLU 41 -11.250 7.747 0.209 337 HA GLU 41 HA GLU 41 -9.876 8.095 2.048 338 HB2 GLU 41 HB2 GLU 41 -11.573 6.178 3.675 339 HB3 GLU 41 HB3 GLU 41 -10.327 7.261 4.263 340 HG2 GLU 41 HG2 GLU 41 -11.666 9.201 3.953 341 HG3 GLU 41 HG3 GLU 41 -12.796 8.390 2.908 342 H GLU 42 H GLU 42 -9.854 5.880 -0.046 343 HA GLU 42 HA GLU 42 -7.525 4.448 1.151 344 HB2 GLU 42 HB2 GLU 42 -9.371 3.083 -0.007 345 HB3 GLU 42 HB3 GLU 42 -9.050 3.990 -1.475 346 HG2 GLU 42 HG2 GLU 42 -6.998 2.958 -1.863 347 HG3 GLU 42 HG3 GLU 42 -6.810 2.418 -0.203 348 H ILE 43 H ILE 43 -5.672 4.300 -0.190 349 HA ILE 43 HA ILE 43 -5.357 6.205 -2.402 350 HB ILE 43 HB ILE 43 -3.477 5.774 -0.042 351 HG12 ILE 43 HG12 ILE 43 -4.028 8.467 -1.328 352 HG13 ILE 43 HG13 ILE 43 -5.295 7.765 -0.322 353 HG21 ILE 43 HG21 ILE 43 -2.804 6.840 -2.824 354 HG22 ILE 43 HG22 ILE 43 -1.804 7.180 -1.394 355 HG23 ILE 43 HG23 ILE 43 -2.011 5.517 -1.942 356 HD11 ILE 43 HD11 ILE 43 -3.962 9.141 1.080 357 HD12 ILE 43 HD12 ILE 43 -3.616 7.441 1.489 358 HD13 ILE 43 HD13 ILE 43 -2.454 8.387 0.515 359 H TYR 44 H TYR 44 -4.625 5.047 -4.171 360 HA TYR 44 HA TYR 44 -2.735 2.852 -3.652 361 HB2 TYR 44 HB2 TYR 44 -3.816 1.436 -5.317 362 HB3 TYR 44 HB3 TYR 44 -4.809 1.675 -3.899 363 HD1 TYR 44 HD1 TYR 44 -4.446 2.479 -7.546 364 HD2 TYR 44 HD2 TYR 44 -6.937 2.730 -4.024 365 HE1 TYR 44 HE1 TYR 44 -6.400 3.024 -8.952 366 HE2 TYR 44 HE2 TYR 44 -8.839 3.328 -5.386 367 HH TYR 44 HH TYR 44 -9.653 3.082 -7.570 368 H PHE 45 H PHE 45 -1.622 2.220 -5.792 369 HA PHE 45 HA PHE 45 -1.624 4.274 -7.858 370 HB2 PHE 45 HB2 PHE 45 0.782 4.653 -7.659 371 HB3 PHE 45 HB3 PHE 45 -0.164 5.391 -6.406 372 HD1 PHE 45 HD1 PHE 45 -0.194 4.417 -4.094 373 HD2 PHE 45 HD2 PHE 45 2.620 3.174 -7.105 374 HE1 PHE 45 HE1 PHE 45 1.328 3.649 -2.331 375 HE2 PHE 45 HE2 PHE 45 4.177 2.417 -5.317 376 HZ PHE 45 HZ PHE 45 3.546 2.642 -2.935 377 H SER 46 H SER 46 -0.253 3.523 -9.759 378 HA SER 46 HA SER 46 -0.782 0.672 -10.061 379 HB2 SER 46 HB2 SER 46 -0.081 1.410 -12.529 380 HB3 SER 46 HB3 SER 46 -1.665 1.701 -11.852 381 HG SER 46 HG SER 46 -1.378 3.714 -11.775 382 H THR 47 H THR 47 0.943 -0.092 -8.683 383 HA THR 47 HA THR 47 3.666 0.478 -9.097 384 HB THR 47 HB THR 47 3.977 -1.606 -7.723 385 HG1 THR 47 HG1 THR 47 1.995 -2.447 -6.877 386 HG21 THR 47 HG21 THR 47 1.751 0.183 -6.620 387 HG22 THR 47 HG22 THR 47 3.457 0.656 -6.706 388 HG23 THR 47 HG23 THR 47 2.966 -0.712 -5.704 389 HA PRO 48 HA PRO 48 4.826 -1.763 -12.684 390 HB2 PRO 48 HB2 PRO 48 7.494 -2.053 -12.273 391 HB3 PRO 48 HB3 PRO 48 6.733 -0.452 -12.496 392 HG2 PRO 48 HG2 PRO 48 7.418 -1.845 -9.881 393 HG3 PRO 48 HG3 PRO 48 7.862 -0.178 -10.378 394 HD2 PRO 48 HD2 PRO 48 5.727 -0.666 -8.834 395 HD3 PRO 48 HD3 PRO 48 5.653 0.571 -10.122 396 H VAL 49 H VAL 49 4.733 -3.314 -9.688 397 HA VAL 49 HA VAL 49 5.470 -5.958 -10.839 398 HB VAL 49 HB VAL 49 7.018 -5.545 -9.189 399 HG11 VAL 49 HG11 VAL 49 4.869 -4.644 -7.235 400 HG12 VAL 49 HG12 VAL 49 6.606 -4.857 -6.913 401 HG13 VAL 49 HG13 VAL 49 6.081 -3.602 -8.023 402 HG21 VAL 49 HG21 VAL 49 6.526 -7.186 -7.415 403 HG22 VAL 49 HG22 VAL 49 4.827 -7.211 -7.889 404 HG23 VAL 49 HG23 VAL 49 6.070 -7.782 -9.027 405 H ASN 50 H ASN 50 3.815 -7.084 -11.380 406 HA ASN 50 HA ASN 50 1.268 -6.952 -9.901 407 HB2 ASN 50 HB2 ASN 50 0.084 -7.155 -12.090 408 HB3 ASN 50 HB3 ASN 50 0.714 -5.578 -11.588 409 HD21 ASN 50 HD21 ASN 50 1.600 -8.382 -13.690 410 HD22 ASN 50 HD22 ASN 50 2.388 -7.350 -14.883 411 H VAL 51 H VAL 51 1.295 -8.909 -8.885 412 HA VAL 51 HA VAL 51 1.741 -11.330 -10.455 413 HB VAL 51 HB VAL 51 2.285 -12.237 -8.251 414 HG11 VAL 51 HG11 VAL 51 4.106 -9.876 -8.813 415 HG12 VAL 51 HG12 VAL 51 4.542 -11.409 -8.021 416 HG13 VAL 51 HG13 VAL 51 4.111 -11.395 -9.740 417 HG21 VAL 51 HG21 VAL 51 2.707 -11.152 -6.288 418 HG22 VAL 51 HG22 VAL 51 2.494 -9.540 -6.996 419 HG23 VAL 51 HG23 VAL 51 1.099 -10.634 -6.772 420 H GLN 52 H GLN 52 0.169 -13.028 -9.931 421 HA GLN 52 HA GLN 52 -2.293 -12.055 -8.543 422 HB2 GLN 52 HB2 GLN 52 -2.022 -13.939 -10.890 423 HB3 GLN 52 HB3 GLN 52 -3.434 -13.918 -9.829 424 HG2 GLN 52 HG2 GLN 52 -3.216 -11.234 -10.276 425 HG3 GLN 52 HG3 GLN 52 -2.543 -11.860 -11.788 426 HE21 GLN 52 HE21 GLN 52 -5.365 -12.224 -9.528 427 HE22 GLN 52 HE22 GLN 52 -6.532 -12.575 -10.783 428 H LYS 53 H LYS 53 0.369 -13.636 -7.789 429 HA LYS 53 HA LYS 53 -0.886 -15.795 -6.245 430 HB2 LYS 53 HB2 LYS 53 1.479 -15.771 -7.385 431 HB3 LYS 53 HB3 LYS 53 1.968 -14.778 -6.009 432 HG2 LYS 53 HG2 LYS 53 1.041 -16.593 -4.488 433 HG3 LYS 53 HG3 LYS 53 0.720 -17.572 -5.915 434 HD2 LYS 53 HD2 LYS 53 3.105 -17.541 -6.511 435 HD3 LYS 53 HD3 LYS 53 3.466 -16.484 -5.125 436 HE2 LYS 53 HE2 LYS 53 2.440 -18.255 -3.618 437 HE3 LYS 53 HE3 LYS 53 2.322 -19.309 -5.035 438 HZ1 LYS 53 HZ1 LYS 53 4.809 -18.237 -3.832 439 HZ2 LYS 53 HZ2 LYS 53 4.738 -19.069 -5.264 440 HZ3 LYS 53 HZ3 LYS 53 4.275 -19.797 -3.862 441 H MET 54 H MET 54 -1.456 -15.573 -4.073 442 HA MET 54 HA MET 54 -0.339 -13.390 -2.495 443 HB2 MET 54 HB2 MET 54 -2.530 -14.066 -1.107 444 HB3 MET 54 HB3 MET 54 -2.467 -12.691 -2.128 445 HG2 MET 54 HG2 MET 54 -4.513 -13.967 -2.338 446 HG3 MET 54 HG3 MET 54 -3.679 -13.811 -3.849 447 HE1 MET 54 HE1 MET 54 -5.062 -15.456 -5.071 448 HE2 MET 54 HE2 MET 54 -5.557 -17.036 -4.423 449 HE3 MET 54 HE3 MET 54 -6.061 -15.553 -3.604 450 H GLU 55 H GLU 55 -0.411 -14.109 -0.089 451 HA GLU 55 HA GLU 55 -0.275 -17.069 0.281 452 HB2 GLU 55 HB2 GLU 55 1.638 -14.931 1.201 453 HB3 GLU 55 HB3 GLU 55 1.366 -16.318 2.254 454 HG2 GLU 55 HG2 GLU 55 2.186 -16.641 -0.645 455 HG3 GLU 55 HG3 GLU 55 3.360 -16.448 0.654 456 H ASN 56 H ASN 56 -1.027 -13.806 1.536 457 HA ASN 56 HA ASN 56 -2.724 -14.990 3.665 458 HB2 ASN 56 HB2 ASN 56 -0.533 -14.596 4.597 459 HB3 ASN 56 HB3 ASN 56 -0.424 -13.012 3.933 460 HD21 ASN 56 HD21 ASN 56 -1.432 -11.289 5.013 461 HD22 ASN 56 HD22 ASN 56 -1.969 -11.459 6.687 462 HA PRO 57 HA PRO 57 -4.803 -11.482 1.483 463 HB2 PRO 57 HB2 PRO 57 -6.900 -12.770 0.318 464 HB3 PRO 57 HB3 PRO 57 -5.309 -12.561 -0.474 465 HG2 PRO 57 HG2 PRO 57 -6.392 -14.989 0.955 466 HG3 PRO 57 HG3 PRO 57 -5.452 -14.902 -0.578 467 HD2 PRO 57 HD2 PRO 57 -4.327 -15.473 1.895 468 HD3 PRO 57 HD3 PRO 57 -3.453 -14.744 0.561 469 H ARG 58 H ARG 58 -6.403 -10.355 2.663 470 HA ARG 58 HA ARG 58 -8.164 -12.013 4.423 471 HB2 ARG 58 HB2 ARG 58 -6.930 -9.335 5.186 472 HB3 ARG 58 HB3 ARG 58 -8.191 -10.189 6.055 473 HG2 ARG 58 HG2 ARG 58 -6.360 -12.172 6.042 474 HG3 ARG 58 HG3 ARG 58 -5.263 -10.786 5.961 475 HD2 ARG 58 HD2 ARG 58 -6.715 -9.772 7.854 476 HD3 ARG 58 HD3 ARG 58 -7.456 -11.369 7.984 477 HE ARG 58 HE ARG 58 -4.542 -11.444 8.120 478 HH11 ARG 58 HH11 ARG 58 -7.493 -11.103 10.095 479 HH12 ARG 58 HH12 ARG 58 -6.808 -11.909 11.455 480 HH21 ARG 58 HH21 ARG 58 -3.612 -12.234 9.905 481 HH22 ARG 58 HH22 ARG 58 -4.413 -12.562 11.387 482 H GLU 59 H GLU 59 -10.119 -11.105 4.949 483 HA GLU 59 HA GLU 59 -11.234 -9.391 2.757 484 HB2 GLU 59 HB2 GLU 59 -12.599 -11.261 4.734 485 HB3 GLU 59 HB3 GLU 59 -13.446 -10.189 3.609 486 HG2 GLU 59 HG2 GLU 59 -11.997 -11.339 1.768 487 HG3 GLU 59 HG3 GLU 59 -11.826 -12.624 2.981 488 H VAL 60 H VAL 60 -10.032 -8.850 5.834 489 HA VAL 60 HA VAL 60 -11.033 -6.208 5.833 490 HB VAL 60 HB VAL 60 -12.729 -7.160 6.950 491 HG11 VAL 60 HG11 VAL 60 -12.211 -9.332 7.361 492 HG12 VAL 60 HG12 VAL 60 -10.923 -8.934 8.510 493 HG13 VAL 60 HG13 VAL 60 -12.689 -8.636 8.873 494 HG21 VAL 60 HG21 VAL 60 -11.939 -5.215 8.279 495 HG22 VAL 60 HG22 VAL 60 -12.564 -6.420 9.386 496 HG23 VAL 60 HG23 VAL 60 -10.824 -6.250 9.167 497 H VAL 61 H VAL 61 -9.785 -4.831 7.100 498 HA VAL 61 HA VAL 61 -7.099 -5.706 7.931 499 HB VAL 61 HB VAL 61 -6.188 -3.910 6.429 500 HG11 VAL 61 HG11 VAL 61 -6.141 -5.210 4.412 501 HG12 VAL 61 HG12 VAL 61 -6.118 -6.316 5.794 502 HG13 VAL 61 HG13 VAL 61 -7.613 -6.091 4.858 503 HG21 VAL 61 HG21 VAL 61 -7.554 -3.198 4.486 504 HG22 VAL 61 HG22 VAL 61 -8.990 -3.899 5.209 505 HG23 VAL 61 HG23 VAL 61 -8.147 -2.558 6.025 506 H GLU 62 H GLU 62 -5.967 -3.490 8.642 507 HA GLU 62 HA GLU 62 -7.876 -2.192 10.490 508 HB2 GLU 62 HB2 GLU 62 -4.838 -2.355 10.602 509 HB3 GLU 62 HB3 GLU 62 -5.889 -1.586 11.803 510 HG2 GLU 62 HG2 GLU 62 -7.114 -3.875 11.924 511 HG3 GLU 62 HG3 GLU 62 -5.682 -4.497 11.105 512 H ILE 63 H ILE 63 -7.041 -0.007 11.219 513 HA ILE 63 HA ILE 63 -6.803 1.855 8.903 514 HB ILE 63 HB ILE 63 -7.118 2.505 11.871 515 HG12 ILE 63 HG12 ILE 63 -9.156 2.568 9.604 516 HG13 ILE 63 HG13 ILE 63 -9.082 1.379 10.900 517 HG21 ILE 63 HG21 ILE 63 -7.510 4.795 11.159 518 HG22 ILE 63 HG22 ILE 63 -5.980 4.280 10.438 519 HG23 ILE 63 HG23 ILE 63 -7.459 4.331 9.455 520 HD11 ILE 63 HD11 ILE 63 -9.446 3.265 12.550 521 HD12 ILE 63 HD12 ILE 63 -9.766 4.319 11.145 522 HD13 ILE 63 HD13 ILE 63 -10.810 2.933 11.456 523 H GLY 64 H GLY 64 -4.880 0.858 8.416 524 HA2 GLY 64 HA2 GLY 64 -2.563 1.934 8.583 525 HA3 GLY 64 HA3 GLY 64 -2.515 1.321 10.229 526 H ASP 65 H ASP 65 -3.739 -0.626 7.434 527 HA ASP 65 HA ASP 65 -1.268 -2.328 7.603 528 HB2 ASP 65 HB2 ASP 65 -3.964 -2.976 6.443 529 HB3 ASP 65 HB3 ASP 65 -2.576 -4.031 6.388 530 H VAL 66 H VAL 66 -0.879 -3.325 5.300 531 HA VAL 66 HA VAL 66 -1.546 -1.439 3.115 532 HB VAL 66 HB VAL 66 1.189 -2.619 3.701 533 HG11 VAL 66 HG11 VAL 66 0.821 -2.811 1.327 534 HG12 VAL 66 HG12 VAL 66 0.255 -1.123 1.235 535 HG13 VAL 66 HG13 VAL 66 1.946 -1.493 1.650 536 HG21 VAL 66 HG21 VAL 66 0.660 -0.694 4.998 537 HG22 VAL 66 HG22 VAL 66 1.757 -0.149 3.705 538 HG23 VAL 66 HG23 VAL 66 -0.008 0.155 3.612 539 H GLY 67 H GLY 67 -2.564 -2.378 1.662 540 HA2 GLY 67 HA2 GLY 67 -2.659 -5.360 1.463 541 HA3 GLY 67 HA3 GLY 67 -3.908 -4.238 0.892 542 H TYR 68 H TYR 68 -3.072 -6.076 -0.804 543 HA TYR 68 HA TYR 68 -1.646 -4.557 -2.910 544 HB2 TYR 68 HB2 TYR 68 -0.270 -6.430 -1.880 545 HB3 TYR 68 HB3 TYR 68 -1.552 -7.552 -2.321 546 HD1 TYR 68 HD1 TYR 68 1.075 -5.317 -3.555 547 HD2 TYR 68 HD2 TYR 68 -1.864 -8.256 -4.657 548 HE1 TYR 68 HE1 TYR 68 2.203 -5.598 -5.757 549 HE2 TYR 68 HE2 TYR 68 -0.745 -8.533 -6.873 550 HH TYR 68 HH TYR 68 1.888 -6.470 -7.912 551 H TRP 69 H TRP 69 -3.123 -4.268 -4.587 552 HA TRP 69 HA TRP 69 -5.536 -5.971 -4.533 553 HB2 TRP 69 HB2 TRP 69 -5.841 -3.639 -3.781 554 HB3 TRP 69 HB3 TRP 69 -5.463 -3.088 -5.404 555 HD1 TRP 69 HD1 TRP 69 -7.699 -5.962 -3.983 556 HE1 TRP 69 HE1 TRP 69 -10.008 -5.884 -4.947 557 HE3 TRP 69 HE3 TRP 69 -7.361 -1.566 -6.653 558 HZ2 TRP 69 HZ2 TRP 69 -11.512 -4.277 -6.823 559 HZ3 TRP 69 HZ3 TRP 69 -9.205 -0.888 -8.140 560 HH2 TRP 69 HH2 TRP 69 -11.329 -2.178 -8.172 561 HA PRO 70 HA PRO 70 -3.135 -6.957 -8.286 562 HB2 PRO 70 HB2 PRO 70 -4.261 -9.447 -8.753 563 HB3 PRO 70 HB3 PRO 70 -2.919 -9.100 -7.654 564 HG2 PRO 70 HG2 PRO 70 -5.781 -9.609 -6.963 565 HG3 PRO 70 HG3 PRO 70 -4.322 -10.061 -6.060 566 HD2 PRO 70 HD2 PRO 70 -5.884 -7.854 -5.455 567 HD3 PRO 70 HD3 PRO 70 -4.231 -8.054 -4.999 568 HA PRO 71 HA PRO 71 -7.131 -7.875 -10.814 569 HB2 PRO 71 HB2 PRO 71 -9.359 -6.282 -9.862 570 HB3 PRO 71 HB3 PRO 71 -9.210 -8.058 -9.962 571 HG2 PRO 71 HG2 PRO 71 -9.170 -6.423 -7.602 572 HG3 PRO 71 HG3 PRO 71 -8.777 -8.186 -7.659 573 HD2 PRO 71 HD2 PRO 71 -6.965 -6.054 -7.295 574 HD3 PRO 71 HD3 PRO 71 -6.839 -7.833 -7.207 575 H GLY 72 H GLY 72 -7.367 -4.548 -9.370 576 HA2 GLY 72 HA2 GLY 72 -7.322 -3.174 -11.908 577 HA3 GLY 72 HA3 GLY 72 -7.157 -2.499 -10.301 578 H LYS 73 H LYS 73 -4.835 -4.738 -10.232 579 HA LYS 73 HA LYS 73 -2.744 -4.531 -9.671 580 HB2 LYS 73 HB2 LYS 73 -2.307 -2.993 -12.259 581 HB3 LYS 73 HB3 LYS 73 -1.071 -3.673 -11.248 582 HG2 LYS 73 HG2 LYS 73 -1.171 -5.313 -12.812 583 HG3 LYS 73 HG3 LYS 73 -2.280 -5.988 -11.634 584 HD2 LYS 73 HD2 LYS 73 -3.141 -6.229 -13.906 585 HD3 LYS 73 HD3 LYS 73 -4.167 -5.028 -13.084 586 HE2 LYS 73 HE2 LYS 73 -2.883 -3.197 -14.138 587 HE3 LYS 73 HE3 LYS 73 -1.770 -4.372 -14.868 588 HZ1 LYS 73 HZ1 LYS 73 -3.332 -3.663 -16.468 589 HZ2 LYS 73 HZ2 LYS 73 -4.606 -3.938 -15.496 590 HZ3 LYS 73 HZ3 LYS 73 -3.724 -5.216 -16.113 591 H ALA 74 H ALA 74 -2.947 -3.320 -7.761 592 HA ALA 74 HA ALA 74 -1.325 -0.977 -7.905 593 HB1 ALA 74 HB1 ALA 74 -3.718 -0.085 -8.334 594 HB2 ALA 74 HB2 ALA 74 -4.083 -0.572 -6.666 595 HB3 ALA 74 HB3 ALA 74 -2.829 0.638 -7.010 596 H LEU 75 H LEU 75 -0.856 -0.111 -5.777 597 HA LEU 75 HA LEU 75 -0.737 -1.961 -3.543 598 HB2 LEU 75 HB2 LEU 75 0.694 0.298 -4.116 599 HB3 LEU 75 HB3 LEU 75 -0.614 1.067 -3.243 600 HG LEU 75 HG LEU 75 -0.071 -0.857 -1.428 601 HD11 LEU 75 HD11 LEU 75 1.549 -1.948 -2.926 602 HD12 LEU 75 HD12 LEU 75 2.251 -1.481 -1.368 603 HD13 LEU 75 HD13 LEU 75 2.598 -0.525 -2.841 604 HD21 LEU 75 HD21 LEU 75 1.333 0.598 -0.189 605 HD22 LEU 75 HD22 LEU 75 0.174 1.616 -1.056 606 HD23 LEU 75 HD23 LEU 75 1.845 1.468 -1.640 607 H CYS 76 H CYS 76 -1.763 -1.034 -1.331 608 HA CYS 76 HA CYS 76 -3.996 0.791 -1.519 609 HB2 CYS 76 HB2 CYS 76 -4.362 -2.104 -0.571 610 HB3 CYS 76 HB3 CYS 76 -5.377 -0.787 0.015 611 HG CYS 76 HG CYS 76 -4.945 -1.089 -3.200 612 H LEU 77 H LEU 77 -4.241 1.885 0.235 613 HA LEU 77 HA LEU 77 -2.616 1.315 2.655 614 HB2 LEU 77 HB2 LEU 77 -3.262 3.963 1.300 615 HB3 LEU 77 HB3 LEU 77 -2.496 3.829 2.779 616 HG LEU 77 HG LEU 77 -1.330 3.028 0.107 617 HD11 LEU 77 HD11 LEU 77 -0.423 5.113 2.142 618 HD12 LEU 77 HD12 LEU 77 -1.345 5.469 0.670 619 HD13 LEU 77 HD13 LEU 77 0.290 4.811 0.550 620 HD21 LEU 77 HD21 LEU 77 0.800 2.565 1.335 621 HD22 LEU 77 HD22 LEU 77 -0.480 1.410 1.731 622 HD23 LEU 77 HD23 LEU 77 -0.064 2.720 2.869 623 H PHE 78 H PHE 78 -3.918 1.478 4.519 624 HA PHE 78 HA PHE 78 -6.811 2.052 4.069 625 HB2 PHE 78 HB2 PHE 78 -5.437 0.047 5.889 626 HB3 PHE 78 HB3 PHE 78 -7.169 0.315 5.777 627 HD1 PHE 78 HD1 PHE 78 -8.294 -0.029 3.478 628 HD2 PHE 78 HD2 PHE 78 -4.460 -1.639 4.520 629 HE1 PHE 78 HE1 PHE 78 -8.405 -1.613 1.523 630 HE2 PHE 78 HE2 PHE 78 -4.691 -3.335 2.745 631 HZ PHE 78 HZ PHE 78 -6.677 -3.238 1.152 632 H PHE 79 H PHE 79 -7.233 4.067 4.912 633 HA PHE 79 HA PHE 79 -6.243 4.656 7.642 634 HB2 PHE 79 HB2 PHE 79 -5.630 6.858 7.023 635 HB3 PHE 79 HB3 PHE 79 -4.696 5.660 6.166 636 HD1 PHE 79 HD1 PHE 79 -5.261 5.279 3.681 637 HD2 PHE 79 HD2 PHE 79 -6.964 8.461 5.993 638 HE1 PHE 79 HE1 PHE 79 -5.748 6.533 1.603 639 HE2 PHE 79 HE2 PHE 79 -7.466 9.744 3.877 640 HZ PHE 79 HZ PHE 79 -6.764 8.831 1.726 641 H GLY 80 H GLY 80 -9.003 3.867 6.590 642 HA2 GLY 80 HA2 GLY 80 -10.461 5.926 8.020 643 HA3 GLY 80 HA3 GLY 80 -10.718 5.963 6.250 644 H LYS 81 H LYS 81 -12.792 5.309 6.183 645 HA LYS 81 HA LYS 81 -13.120 2.431 6.600 646 HB2 LYS 81 HB2 LYS 81 -14.105 3.647 8.610 647 HB3 LYS 81 HB3 LYS 81 -15.372 4.242 7.544 648 HG2 LYS 81 HG2 LYS 81 -14.671 1.285 7.931 649 HG3 LYS 81 HG3 LYS 81 -15.803 2.196 8.904 650 HD2 LYS 81 HD2 LYS 81 -16.986 2.740 6.620 651 HD3 LYS 81 HD3 LYS 81 -16.031 1.370 6.025 652 HE2 LYS 81 HE2 LYS 81 -18.294 0.674 6.679 653 HE3 LYS 81 HE3 LYS 81 -17.081 -0.107 7.707 654 HZ1 LYS 81 HZ1 LYS 81 -18.589 2.317 8.520 655 HZ2 LYS 81 HZ2 LYS 81 -17.610 1.361 9.464 656 HZ3 LYS 81 HZ3 LYS 81 -19.022 0.776 8.922 657 H THR 82 H THR 82 -12.861 2.190 4.564 658 HA THR 82 HA THR 82 -13.733 3.943 2.460 659 HB THR 82 HB THR 82 -12.722 1.866 1.145 660 HG1 THR 82 HG1 THR 82 -12.478 0.338 2.566 661 HG21 THR 82 HG21 THR 82 -11.236 3.754 3.017 662 HG22 THR 82 HG22 THR 82 -11.524 3.909 1.267 663 HG23 THR 82 HG23 THR 82 -10.423 2.680 1.880 664 HA PRO 83 HA PRO 83 -17.623 2.331 1.552 665 HB2 PRO 83 HB2 PRO 83 -17.981 2.967 -1.071 666 HB3 PRO 83 HB3 PRO 83 -17.615 4.197 0.172 667 HG2 PRO 83 HG2 PRO 83 -15.668 2.791 -1.706 668 HG3 PRO 83 HG3 PRO 83 -15.881 4.560 -1.458 669 HD2 PRO 83 HD2 PRO 83 -13.980 3.187 -0.113 670 HD3 PRO 83 HD3 PRO 83 -14.940 4.469 0.694 671 H MET 84 H MET 84 -16.879 -0.044 1.990 672 HA MET 84 HA MET 84 -17.903 -1.722 -0.162 673 HB2 MET 84 HB2 MET 84 -15.142 -1.196 -0.145 674 HB3 MET 84 HB3 MET 84 -15.243 -2.794 0.551 675 HG2 MET 84 HG2 MET 84 -16.827 -2.226 -1.969 676 HG3 MET 84 HG3 MET 84 -15.090 -2.243 -2.082 677 HE1 MET 84 HE1 MET 84 -18.164 -4.431 -2.392 678 HE2 MET 84 HE2 MET 84 -17.765 -5.893 -1.482 679 HE3 MET 84 HE3 MET 84 -18.025 -4.360 -0.620 680 H SER 85 H SER 85 -18.397 -1.050 2.812 681 HA SER 85 HA SER 85 -18.676 -3.792 3.808 682 HB2 SER 85 HB2 SER 85 -16.359 -2.974 4.340 683 HB3 SER 85 HB3 SER 85 -17.058 -1.592 5.172 684 HG SER 85 HG SER 85 -16.633 -2.896 6.674 685 H ASP 86 H ASP 86 -19.292 -3.032 6.348 686 HA ASP 86 HA ASP 86 -20.778 -0.536 6.512 687 HB2 ASP 86 HB2 ASP 86 -22.323 -2.981 6.210 688 HB3 ASP 86 HB3 ASP 86 -22.576 -2.337 7.822 689 H ASP 87 H ASP 87 -19.946 -3.660 8.058 690 HA ASP 87 HA ASP 87 -20.128 -2.638 10.760 691 HB2 ASP 87 HB2 ASP 87 -19.201 -5.187 9.462 692 HB3 ASP 87 HB3 ASP 87 -18.478 -4.814 11.009 693 H LYS 88 H LYS 88 -17.406 -3.477 8.659 694 HA LYS 88 HA LYS 88 -15.459 -2.114 10.445 695 HB2 LYS 88 HB2 LYS 88 -14.111 -4.129 10.527 696 HB3 LYS 88 HB3 LYS 88 -15.729 -4.442 11.137 697 HG2 LYS 88 HG2 LYS 88 -16.250 -5.292 8.700 698 HG3 LYS 88 HG3 LYS 88 -14.515 -5.290 8.469 699 HD2 LYS 88 HD2 LYS 88 -14.956 -7.496 9.208 700 HD3 LYS 88 HD3 LYS 88 -14.468 -6.676 10.710 701 HE2 LYS 88 HE2 LYS 88 -16.985 -6.229 11.079 702 HE3 LYS 88 HE3 LYS 88 -17.270 -7.380 9.773 703 HZ1 LYS 88 HZ1 LYS 88 -15.863 -8.941 11.206 704 HZ2 LYS 88 HZ2 LYS 88 -17.413 -8.569 11.698 705 HZ3 LYS 88 HZ3 LYS 88 -16.102 -7.869 12.412 706 H ILE 89 H ILE 89 -13.099 -2.937 9.053 707 HA ILE 89 HA ILE 89 -13.508 -1.441 6.521 708 HB ILE 89 HB ILE 89 -11.098 -2.000 8.255 709 HG12 ILE 89 HG12 ILE 89 -12.112 0.767 7.634 710 HG13 ILE 89 HG13 ILE 89 -13.082 -0.173 8.759 711 HG21 ILE 89 HG21 ILE 89 -10.315 -1.823 5.951 712 HG22 ILE 89 HG22 ILE 89 -11.288 -0.377 5.675 713 HG23 ILE 89 HG23 ILE 89 -9.904 -0.352 6.802 714 HD11 ILE 89 HD11 ILE 89 -11.461 1.189 9.921 715 HD12 ILE 89 HD12 ILE 89 -11.189 -0.543 10.203 716 HD13 ILE 89 HD13 ILE 89 -10.127 0.348 9.081 717 H GLN 90 H GLN 90 -14.528 -3.389 5.529 718 HA GLN 90 HA GLN 90 -12.668 -5.510 4.747 719 HB2 GLN 90 HB2 GLN 90 -15.423 -4.825 3.636 720 HB3 GLN 90 HB3 GLN 90 -14.456 -6.247 3.255 721 HG2 GLN 90 HG2 GLN 90 -14.501 -6.813 5.741 722 HG3 GLN 90 HG3 GLN 90 -15.679 -5.578 5.980 723 HE21 GLN 90 HE21 GLN 90 -16.756 -7.742 6.739 724 HE22 GLN 90 HE22 GLN 90 -17.451 -8.831 5.552 725 HA PRO 91 HA PRO 91 -11.160 -2.950 1.303 726 HB2 PRO 91 HB2 PRO 91 -9.673 -4.772 -0.029 727 HB3 PRO 91 HB3 PRO 91 -9.195 -4.199 1.584 728 HG2 PRO 91 HG2 PRO 91 -10.759 -6.731 0.941 729 HG3 PRO 91 HG3 PRO 91 -9.315 -6.580 1.993 730 HD2 PRO 91 HD2 PRO 91 -11.861 -6.623 2.885 731 HD3 PRO 91 HD3 PRO 91 -10.614 -5.611 3.699 732 H ALA 92 H ALA 92 -10.831 -3.129 -1.139 733 HA ALA 92 HA ALA 92 -13.283 -3.611 -2.376 734 HB1 ALA 92 HB1 ALA 92 -11.683 -1.923 -3.161 735 HB2 ALA 92 HB2 ALA 92 -10.518 -3.191 -3.576 736 HB3 ALA 92 HB3 ALA 92 -12.045 -3.061 -4.471 737 H SER 93 H SER 93 -10.749 -5.863 -1.764 738 HA SER 93 HA SER 93 -12.423 -7.962 -2.032 739 HB2 SER 93 HB2 SER 93 -11.331 -9.372 -3.804 740 HB3 SER 93 HB3 SER 93 -12.305 -8.050 -4.423 741 HG SER 93 HG SER 93 -10.629 -7.715 -5.557 742 H ALA 94 H ALA 94 -10.886 -10.112 -1.752 743 HA ALA 94 HA ALA 94 -9.631 -9.539 0.627 744 HB1 ALA 94 HB1 ALA 94 -9.098 -11.881 0.776 745 HB2 ALA 94 HB2 ALA 94 -10.674 -11.722 -0.027 746 HB3 ALA 94 HB3 ALA 94 -9.221 -12.072 -0.980 747 H VAL 95 H VAL 95 -8.028 -7.952 0.336 748 HA VAL 95 HA VAL 95 -5.853 -8.184 -1.474 749 HB VAL 95 HB VAL 95 -4.796 -6.362 -0.200 750 HG11 VAL 95 HG11 VAL 95 -6.359 -4.636 -0.781 751 HG12 VAL 95 HG12 VAL 95 -6.479 -5.934 -1.978 752 HG13 VAL 95 HG13 VAL 95 -7.716 -5.769 -0.722 753 HG21 VAL 95 HG21 VAL 95 -7.121 -6.643 1.734 754 HG22 VAL 95 HG22 VAL 95 -5.394 -6.781 2.076 755 HG23 VAL 95 HG23 VAL 95 -6.062 -5.228 1.636 756 H ASN 96 H ASN 96 -3.913 -9.106 -1.319 757 HA ASN 96 HA ASN 96 -3.005 -10.789 0.850 758 HB2 ASN 96 HB2 ASN 96 -2.213 -10.520 -1.707 759 HB3 ASN 96 HB3 ASN 96 -1.159 -9.313 -1.032 760 HD21 ASN 96 HD21 ASN 96 0.405 -10.806 -2.008 761 HD22 ASN 96 HD22 ASN 96 1.119 -12.013 -0.930 762 H VAL 97 H VAL 97 -2.554 -10.065 2.932 763 HA VAL 97 HA VAL 97 -2.196 -7.152 3.150 764 HB VAL 97 HB VAL 97 -2.470 -9.078 5.483 765 HG11 VAL 97 HG11 VAL 97 -1.677 -6.733 5.966 766 HG12 VAL 97 HG12 VAL 97 -3.109 -6.098 5.143 767 HG13 VAL 97 HG13 VAL 97 -3.288 -7.034 6.637 768 HG21 VAL 97 HG21 VAL 97 -4.458 -9.429 4.116 769 HG22 VAL 97 HG22 VAL 97 -4.858 -8.459 5.542 770 HG23 VAL 97 HG23 VAL 97 -4.699 -7.675 3.964 771 H ILE 98 H ILE 98 -0.125 -7.619 1.956 772 HA ILE 98 HA ILE 98 1.941 -9.087 3.284 773 HB ILE 98 HB ILE 98 3.448 -8.236 1.524 774 HG12 ILE 98 HG12 ILE 98 1.063 -6.546 0.624 775 HG13 ILE 98 HG13 ILE 98 2.629 -5.965 1.210 776 HG21 ILE 98 HG21 ILE 98 2.362 -9.421 -0.293 777 HG22 ILE 98 HG22 ILE 98 1.987 -10.214 1.217 778 HG23 ILE 98 HG23 ILE 98 0.769 -9.162 0.457 779 HD11 ILE 98 HD11 ILE 98 2.741 -5.808 -1.155 780 HD12 ILE 98 HD12 ILE 98 3.692 -7.222 -0.745 781 HD13 ILE 98 HD13 ILE 98 2.027 -7.410 -1.386 782 H GLY 99 H GLY 99 0.929 -5.752 3.735 783 HA2 GLY 99 HA2 GLY 99 3.468 -5.277 5.186 784 HA3 GLY 99 HA3 GLY 99 2.904 -4.168 3.942 785 H LYS 100 H LYS 100 3.365 -2.975 6.047 786 HA LYS 100 HA LYS 100 0.837 -2.504 7.520 787 HB2 LYS 100 HB2 LYS 100 2.650 -4.023 8.572 788 HB3 LYS 100 HB3 LYS 100 3.665 -2.619 8.688 789 HG2 LYS 100 HG2 LYS 100 2.649 -2.705 10.793 790 HG3 LYS 100 HG3 LYS 100 1.598 -1.532 9.965 791 HD2 LYS 100 HD2 LYS 100 0.140 -3.481 9.285 792 HD3 LYS 100 HD3 LYS 100 1.225 -4.530 10.208 793 HE2 LYS 100 HE2 LYS 100 0.638 -3.346 12.287 794 HE3 LYS 100 HE3 LYS 100 -0.324 -2.176 11.383 795 HZ1 LYS 100 HZ1 LYS 100 -1.808 -3.991 10.742 796 HZ2 LYS 100 HZ2 LYS 100 -1.758 -3.725 12.369 797 HZ3 LYS 100 HZ3 LYS 100 -1.001 -5.039 11.717 798 H ILE 101 H ILE 101 0.377 -0.329 7.902 799 HA ILE 101 HA ILE 101 2.305 1.731 6.973 800 HB ILE 101 HB ILE 101 -0.527 1.966 8.060 801 HG12 ILE 101 HG12 ILE 101 0.557 2.442 5.254 802 HG13 ILE 101 HG13 ILE 101 -0.395 1.060 5.778 803 HG21 ILE 101 HG21 ILE 101 -0.241 4.429 7.466 804 HG22 ILE 101 HG22 ILE 101 0.726 3.888 8.808 805 HG23 ILE 101 HG23 ILE 101 1.500 4.089 7.246 806 HD11 ILE 101 HD11 ILE 101 -2.330 2.410 6.229 807 HD12 ILE 101 HD12 ILE 101 -1.458 3.882 5.761 808 HD13 ILE 101 HD13 ILE 101 -1.786 2.652 4.545 809 H VAL 102 H VAL 102 3.892 1.309 8.428 810 HA VAL 102 HA VAL 102 3.230 1.110 11.320 811 HB VAL 102 HB VAL 102 5.591 1.007 11.793 812 HG11 VAL 102 HG11 VAL 102 4.322 -1.041 11.199 813 HG12 VAL 102 HG12 VAL 102 4.854 -0.872 9.508 814 HG13 VAL 102 HG13 VAL 102 6.041 -1.169 10.788 815 HG21 VAL 102 HG21 VAL 102 6.527 2.417 9.983 816 HG22 VAL 102 HG22 VAL 102 7.278 0.820 10.062 817 HG23 VAL 102 HG23 VAL 102 6.073 1.165 8.796 818 H GLU 103 H GLU 103 4.493 3.597 8.969 819 HA GLU 103 HA GLU 103 3.636 5.604 10.968 820 HB2 GLU 103 HB2 GLU 103 6.350 4.959 9.957 821 HB3 GLU 103 HB3 GLU 103 5.949 6.668 9.869 822 HG2 GLU 103 HG2 GLU 103 5.484 5.093 12.442 823 HG3 GLU 103 HG3 GLU 103 7.048 5.740 12.022 824 H GLY 104 H GLY 104 3.421 7.723 10.077 825 HA2 GLY 104 HA2 GLY 104 2.336 9.168 8.693 826 HA3 GLY 104 HA3 GLY 104 3.010 8.333 7.281 827 H LEU 105 H LEU 105 0.615 8.009 9.878 828 HA LEU 105 HA LEU 105 -1.289 6.746 7.962 829 HB2 LEU 105 HB2 LEU 105 -1.074 5.961 10.398 830 HB3 LEU 105 HB3 LEU 105 -1.837 7.468 10.866 831 HG LEU 105 HG LEU 105 -3.466 5.757 10.804 832 HD11 LEU 105 HD11 LEU 105 -4.066 7.333 8.360 833 HD12 LEU 105 HD12 LEU 105 -4.333 7.871 10.034 834 HD13 LEU 105 HD13 LEU 105 -5.203 6.458 9.389 835 HD21 LEU 105 HD21 LEU 105 -2.790 5.138 7.907 836 HD22 LEU 105 HD22 LEU 105 -3.995 4.319 8.919 837 HD23 LEU 105 HD23 LEU 105 -2.284 4.175 9.313 838 H GLU 106 H GLU 106 -1.277 9.580 10.257 839 HA GLU 106 HA GLU 106 -3.699 10.410 9.063 840 HB2 GLU 106 HB2 GLU 106 -1.904 12.095 10.839 841 HB3 GLU 106 HB3 GLU 106 -3.622 12.360 10.511 842 HG2 GLU 106 HG2 GLU 106 -4.057 10.037 11.487 843 HG3 GLU 106 HG3 GLU 106 -2.365 10.037 12.017 844 H ASP 107 H ASP 107 -0.400 11.123 8.223 845 HA ASP 107 HA ASP 107 -0.778 13.515 6.645 846 HB2 ASP 107 HB2 ASP 107 1.420 13.338 6.180 847 HB3 ASP 107 HB3 ASP 107 1.426 12.273 7.587 848 H LEU 108 H LEU 108 -1.697 10.158 6.155 849 HA LEU 108 HA LEU 108 -1.868 10.365 3.287 850 HB2 LEU 108 HB2 LEU 108 -3.537 8.690 5.198 851 HB3 LEU 108 HB3 LEU 108 -3.496 8.532 3.460 852 HG LEU 108 HG LEU 108 -1.176 8.004 5.374 853 HD11 LEU 108 HD11 LEU 108 -2.757 6.252 5.402 854 HD12 LEU 108 HD12 LEU 108 -1.449 5.696 4.363 855 HD13 LEU 108 HD13 LEU 108 -2.945 6.262 3.623 856 HD21 LEU 108 HD21 LEU 108 -0.172 8.964 3.395 857 HD22 LEU 108 HD22 LEU 108 -1.140 7.897 2.334 858 HD23 LEU 108 HD23 LEU 108 0.103 7.236 3.414 859 H LYS 109 H LYS 109 -3.938 11.576 5.933 860 HA LYS 109 HA LYS 109 -6.234 12.016 4.240 861 HB2 LYS 109 HB2 LYS 109 -5.605 13.003 7.068 862 HB3 LYS 109 HB3 LYS 109 -7.128 13.173 6.201 863 HG2 LYS 109 HG2 LYS 109 -7.084 10.647 5.903 864 HG3 LYS 109 HG3 LYS 109 -5.860 10.629 7.196 865 HD2 LYS 109 HD2 LYS 109 -7.506 11.977 8.590 866 HD3 LYS 109 HD3 LYS 109 -8.708 11.742 7.296 867 HE2 LYS 109 HE2 LYS 109 -8.550 9.303 7.538 868 HE3 LYS 109 HE3 LYS 109 -7.252 9.496 8.721 869 HZ1 LYS 109 HZ1 LYS 109 -8.814 10.676 10.131 870 HZ2 LYS 109 HZ2 LYS 109 -9.257 9.137 9.890 871 HZ3 LYS 109 HZ3 LYS 109 -10.069 10.342 9.098 872 H LYS 110 H LYS 110 -3.844 13.312 3.253 873 HA LYS 110 HA LYS 110 -4.960 16.042 2.893 874 HB2 LYS 110 HB2 LYS 110 -2.585 16.913 2.851 875 HB3 LYS 110 HB3 LYS 110 -3.367 16.722 4.416 876 HG2 LYS 110 HG2 LYS 110 -2.125 14.737 4.900 877 HG3 LYS 110 HG3 LYS 110 -1.629 14.606 3.188 878 HD2 LYS 110 HD2 LYS 110 0.259 15.283 4.325 879 HD3 LYS 110 HD3 LYS 110 -0.369 16.682 3.429 880 HE2 LYS 110 HE2 LYS 110 -1.059 16.246 6.344 881 HE3 LYS 110 HE3 LYS 110 0.482 16.988 5.899 882 HZ1 LYS 110 HZ1 LYS 110 -1.572 18.444 6.316 883 HZ2 LYS 110 HZ2 LYS 110 -1.967 18.104 4.762 884 HZ3 LYS 110 HZ3 LYS 110 -0.544 18.832 5.067 885 H ILE 111 H ILE 111 -3.457 13.166 1.618 886 HA ILE 111 HA ILE 111 -2.340 14.528 -0.674 887 HB ILE 111 HB ILE 111 -2.903 11.564 -0.566 888 HG12 ILE 111 HG12 ILE 111 -1.857 11.898 1.602 889 HG13 ILE 111 HG13 ILE 111 -0.772 11.081 0.509 890 HG21 ILE 111 HG21 ILE 111 -1.987 12.447 -2.648 891 HG22 ILE 111 HG22 ILE 111 -0.698 13.290 -1.780 892 HG23 ILE 111 HG23 ILE 111 -0.738 11.513 -1.818 893 HD11 ILE 111 HD11 ILE 111 -0.612 14.022 1.289 894 HD12 ILE 111 HD12 ILE 111 0.431 12.712 1.870 895 HD13 ILE 111 HD13 ILE 111 0.492 13.206 0.172 896 H LYS 112 H LYS 112 -3.171 14.248 -2.815 897 HA LYS 112 HA LYS 112 -6.149 13.933 -2.935 898 HB2 LYS 112 HB2 LYS 112 -4.485 15.468 -4.868 899 HB3 LYS 112 HB3 LYS 112 -6.227 15.516 -4.680 900 HG2 LYS 112 HG2 LYS 112 -4.183 16.569 -2.707 901 HG3 LYS 112 HG3 LYS 112 -5.006 17.495 -3.925 902 HD2 LYS 112 HD2 LYS 112 -6.667 15.867 -2.080 903 HD3 LYS 112 HD3 LYS 112 -5.853 17.258 -1.340 904 HE2 LYS 112 HE2 LYS 112 -7.221 17.473 -3.988 905 HE3 LYS 112 HE3 LYS 112 -8.223 17.628 -2.513 906 HZ1 LYS 112 HZ1 LYS 112 -5.828 19.275 -3.032 907 HZ2 LYS 112 HZ2 LYS 112 -6.974 19.494 -1.864 908 HZ3 LYS 112 HZ3 LYS 112 -7.333 19.781 -3.429 909 H ASP 113 H ASP 113 -6.666 13.621 -5.377 910 HA ASP 113 HA ASP 113 -5.757 10.992 -6.200 911 HB2 ASP 113 HB2 ASP 113 -8.129 12.077 -6.293 912 HB3 ASP 113 HB3 ASP 113 -7.536 12.906 -7.717 913 H GLY 114 H GLY 114 -3.593 12.784 -6.215 914 HA2 GLY 114 HA2 GLY 114 -2.079 12.347 -8.353 915 HA3 GLY 114 HA3 GLY 114 -3.072 13.660 -8.998 916 H GLU 115 H GLU 115 -0.907 12.874 -6.241 917 HA GLU 115 HA GLU 115 0.351 15.546 -6.527 918 HB2 GLU 115 HB2 GLU 115 -0.549 14.201 -3.944 919 HB3 GLU 115 HB3 GLU 115 0.592 15.526 -4.027 920 HG2 GLU 115 HG2 GLU 115 -1.178 16.805 -5.373 921 HG3 GLU 115 HG3 GLU 115 -2.322 15.565 -4.841 922 H LYS 116 H LYS 116 1.046 13.052 -7.608 923 HA LYS 116 HA LYS 116 2.386 11.237 -7.671 924 HB2 LYS 116 HB2 LYS 116 3.998 13.697 -7.405 925 HB3 LYS 116 HB3 LYS 116 4.898 12.291 -6.904 926 HG2 LYS 116 HG2 LYS 116 3.471 11.701 -9.363 927 HG3 LYS 116 HG3 LYS 116 4.427 13.157 -9.547 928 HD2 LYS 116 HD2 LYS 116 6.462 12.054 -9.041 929 HD3 LYS 116 HD3 LYS 116 5.634 10.615 -8.397 930 HE2 LYS 116 HE2 LYS 116 5.027 9.813 -10.478 931 HE3 LYS 116 HE3 LYS 116 4.972 11.419 -11.206 932 HZ1 LYS 116 HZ1 LYS 116 6.796 9.939 -11.939 933 HZ2 LYS 116 HZ2 LYS 116 7.545 10.111 -10.506 934 HZ3 LYS 116 HZ3 LYS 116 7.283 11.427 -11.464 935 H VAL 117 H VAL 117 4.052 9.796 -6.753 936 HA VAL 117 HA VAL 117 4.561 10.183 -3.908 937 HB VAL 117 HB VAL 117 2.558 8.740 -3.921 938 HG11 VAL 117 HG11 VAL 117 2.637 6.408 -4.690 939 HG12 VAL 117 HG12 VAL 117 2.753 7.540 -6.041 940 HG13 VAL 117 HG13 VAL 117 4.203 6.692 -5.458 941 HG21 VAL 117 HG21 VAL 117 5.089 7.366 -3.001 942 HG22 VAL 117 HG22 VAL 117 4.147 8.618 -2.140 943 HG23 VAL 117 HG23 VAL 117 3.423 7.038 -2.459 944 H ALA 118 H ALA 118 6.705 9.690 -3.573 945 HA ALA 118 HA ALA 118 8.253 8.389 -5.740 946 HB1 ALA 118 HB1 ALA 118 10.132 9.777 -4.999 947 HB2 ALA 118 HB2 ALA 118 8.769 10.783 -5.517 948 HB3 ALA 118 HB3 ALA 118 9.095 10.562 -3.782 949 H VAL 119 H VAL 119 8.646 6.409 -5.172 950 HA VAL 119 HA VAL 119 8.253 5.542 -2.406 951 HB VAL 119 HB VAL 119 8.287 4.045 -5.071 952 HG11 VAL 119 HG11 VAL 119 8.528 2.724 -2.939 953 HG12 VAL 119 HG12 VAL 119 6.820 3.133 -2.634 954 HG13 VAL 119 HG13 VAL 119 7.323 2.282 -4.146 955 HG21 VAL 119 HG21 VAL 119 5.853 4.068 -5.063 956 HG22 VAL 119 HG22 VAL 119 5.844 5.163 -3.660 957 HG23 VAL 119 HG23 VAL 119 6.490 5.695 -5.232 958 H ARG 120 H ARG 120 10.076 4.862 -1.230 959 HA ARG 120 HA ARG 120 12.576 4.005 -2.624 960 HB2 ARG 120 HB2 ARG 120 12.559 5.873 -0.245 961 HB3 ARG 120 HB3 ARG 120 13.896 5.413 -1.301 962 HG2 ARG 120 HG2 ARG 120 12.627 6.600 -3.196 963 HG3 ARG 120 HG3 ARG 120 11.578 7.285 -1.947 964 HD2 ARG 120 HD2 ARG 120 14.589 7.504 -2.113 965 HD3 ARG 120 HD3 ARG 120 13.452 8.774 -2.572 966 HE ARG 120 HE ARG 120 12.928 8.111 0.127 967 HH11 ARG 120 HH11 ARG 120 15.449 9.737 -1.778 968 HH12 ARG 120 HH12 ARG 120 16.223 10.455 -0.420 969 HH21 ARG 120 HH21 ARG 120 13.699 9.179 1.835 970 HH22 ARG 120 HH22 ARG 120 15.120 10.169 1.822 971 H PHE 121 H PHE 121 14.194 3.138 -0.709 972 HA PHE 121 HA PHE 121 12.796 1.017 0.708 973 HB2 PHE 121 HB2 PHE 121 15.664 1.950 0.414 974 HB3 PHE 121 HB3 PHE 121 15.255 0.768 1.636 975 HD1 PHE 121 HD1 PHE 121 13.864 -1.260 0.989 976 HD2 PHE 121 HD2 PHE 121 15.715 1.329 -1.825 977 HE1 PHE 121 HE1 PHE 121 13.644 -3.035 -0.743 978 HE2 PHE 121 HE2 PHE 121 15.677 -0.491 -3.593 979 HZ PHE 121 HZ PHE 121 14.611 -2.656 -3.027 980 H ALA 122 H ALA 122 13.471 4.016 1.511 981 HA ALA 122 HA ALA 122 13.158 5.352 3.467 982 HB1 ALA 122 HB1 ALA 122 12.299 2.891 4.948 983 HB2 ALA 122 HB2 ALA 122 11.900 4.589 5.269 984 HB3 ALA 122 HB3 ALA 122 11.228 3.730 3.839 985 H SER 123 H SER 123 15.737 4.603 3.026 986 HA SER 123 HA SER 123 17.172 3.413 5.113 987 HB2 SER 123 HB2 SER 123 17.719 5.240 2.859 988 HB3 SER 123 HB3 SER 123 18.961 4.579 3.893 989 HG SER 123 HG SER 123 18.880 3.020 2.479 990 H SER 124 H SER 124 15.254 5.299 6.192 991 HA SER 124 HA SER 124 14.933 6.843 7.761 992 HB2 SER 124 HB2 SER 124 17.742 6.185 8.623 993 HB3 SER 124 HB3 SER 124 16.389 6.740 9.627 994 HG SER 124 HG SER 124 16.851 4.452 9.677 Start of MODEL 18 1 H1 MET 1 H1 MET 1 13.117 -5.044 5.788 2 HA MET 1 HA MET 1 13.361 -4.106 3.603 3 HB2 MET 1 HB2 MET 1 12.914 -6.230 2.430 4 HB3 MET 1 HB3 MET 1 11.194 -6.103 2.800 5 HG2 MET 1 HG2 MET 1 10.843 -4.689 1.098 6 HG3 MET 1 HG3 MET 1 12.230 -3.694 1.475 7 HE1 MET 1 HE1 MET 1 14.730 -4.147 0.647 8 HE2 MET 1 HE2 MET 1 14.753 -5.820 1.253 9 HE3 MET 1 HE3 MET 1 15.194 -5.489 -0.422 10 H ARG 2 H ARG 2 12.722 -2.224 4.081 11 HA ARG 2 HA ARG 2 9.869 -1.692 4.793 12 HB2 ARG 2 HB2 ARG 2 12.456 -0.233 5.360 13 HB3 ARG 2 HB3 ARG 2 10.822 0.521 5.490 14 HG2 ARG 2 HG2 ARG 2 10.196 -1.372 7.018 15 HG3 ARG 2 HG3 ARG 2 11.919 -1.780 7.114 16 HD2 ARG 2 HD2 ARG 2 12.430 0.390 8.085 17 HD3 ARG 2 HD3 ARG 2 10.848 1.009 7.711 18 HE ARG 2 HE ARG 2 10.430 -1.315 9.151 19 HH11 ARG 2 HH11 ARG 2 11.735 1.869 9.986 20 HH12 ARG 2 HH12 ARG 2 10.495 2.187 11.154 21 HH21 ARG 2 HH21 ARG 2 9.046 -1.063 10.684 22 HH22 ARG 2 HH22 ARG 2 9.008 0.271 11.827 23 H VAL 3 H VAL 3 9.043 0.356 3.754 24 HA VAL 3 HA VAL 3 10.407 1.097 1.274 25 HB VAL 3 HB VAL 3 7.636 -0.216 1.474 26 HG11 VAL 3 HG11 VAL 3 7.508 1.664 -0.104 27 HG12 VAL 3 HG12 VAL 3 8.910 1.011 -0.994 28 HG13 VAL 3 HG13 VAL 3 7.377 0.108 -0.927 29 HG21 VAL 3 HG21 VAL 3 9.262 -1.931 1.366 30 HG22 VAL 3 HG22 VAL 3 8.624 -1.776 -0.272 31 HG23 VAL 3 HG23 VAL 3 10.202 -1.038 0.126 32 H GLU 4 H GLU 4 9.945 3.415 0.970 33 HA GLU 4 HA GLU 4 8.133 4.600 2.998 34 HB2 GLU 4 HB2 GLU 4 10.505 4.910 3.302 35 HB3 GLU 4 HB3 GLU 4 10.659 5.741 1.802 36 HG2 GLU 4 HG2 GLU 4 8.455 6.923 3.338 37 HG3 GLU 4 HG3 GLU 4 9.703 6.560 4.458 38 H LEU 5 H LEU 5 6.401 5.684 2.266 39 HA LEU 5 HA LEU 5 6.415 6.593 -0.600 40 HB2 LEU 5 HB2 LEU 5 4.083 6.504 1.351 41 HB3 LEU 5 HB3 LEU 5 4.041 6.725 -0.363 42 HG LEU 5 HG LEU 5 3.336 4.641 -0.075 43 HD11 LEU 5 HD11 LEU 5 5.232 4.736 -1.705 44 HD12 LEU 5 HD12 LEU 5 4.825 3.105 -1.118 45 HD13 LEU 5 HD13 LEU 5 6.250 3.941 -0.491 46 HD21 LEU 5 HD21 LEU 5 5.419 3.771 1.889 47 HD22 LEU 5 HD22 LEU 5 3.972 2.918 1.309 48 HD23 LEU 5 HD23 LEU 5 3.797 4.401 2.267 49 H LEU 6 H LEU 6 7.504 8.449 -0.601 50 HA LEU 6 HA LEU 6 6.569 10.754 1.107 51 HB2 LEU 6 HB2 LEU 6 8.834 10.067 -0.799 52 HB3 LEU 6 HB3 LEU 6 8.274 11.727 -0.824 53 HG LEU 6 HG LEU 6 8.763 10.415 1.850 54 HD11 LEU 6 HD11 LEU 6 11.116 11.078 1.776 55 HD12 LEU 6 HD12 LEU 6 10.941 11.637 0.100 56 HD13 LEU 6 HD13 LEU 6 10.767 9.912 0.513 57 HD21 LEU 6 HD21 LEU 6 9.050 12.700 2.564 58 HD22 LEU 6 HD22 LEU 6 7.647 12.703 1.491 59 HD23 LEU 6 HD23 LEU 6 9.173 13.279 0.889 60 H PHE 7 H PHE 7 5.244 12.283 0.303 61 HA PHE 7 HA PHE 7 4.479 12.303 -2.592 62 HB2 PHE 7 HB2 PHE 7 2.631 13.045 -0.327 63 HB3 PHE 7 HB3 PHE 7 2.230 12.711 -1.990 64 HD1 PHE 7 HD1 PHE 7 3.283 11.107 1.251 65 HD2 PHE 7 HD2 PHE 7 1.535 10.548 -2.599 66 HE1 PHE 7 HE1 PHE 7 2.579 8.907 1.962 67 HE2 PHE 7 HE2 PHE 7 0.785 8.285 -1.960 68 HZ PHE 7 HZ PHE 7 1.297 7.410 0.362 69 H GLU 8 H GLU 8 3.488 14.419 -3.181 70 HA GLU 8 HA GLU 8 4.996 16.687 -2.413 71 HB2 GLU 8 HB2 GLU 8 2.275 16.428 -3.765 72 HB3 GLU 8 HB3 GLU 8 3.161 17.935 -3.674 73 HG2 GLU 8 HG2 GLU 8 4.539 15.506 -4.866 74 HG3 GLU 8 HG3 GLU 8 3.311 16.340 -5.779 75 H SER 9 H SER 9 2.034 15.381 -1.010 76 HA SER 9 HA SER 9 1.756 17.840 0.677 77 HB2 SER 9 HB2 SER 9 -0.240 15.872 -0.430 78 HB3 SER 9 HB3 SER 9 -0.624 16.783 1.030 79 HG SER 9 HG SER 9 -0.288 17.708 -1.611 80 H GLY 10 H GLY 10 3.174 14.858 1.088 81 HA2 GLY 10 HA2 GLY 10 3.302 14.992 3.840 82 HA3 GLY 10 HA3 GLY 10 1.909 13.938 3.502 83 H LYS 11 H LYS 11 3.211 12.205 4.581 84 HA LYS 11 HA LYS 11 4.667 10.660 2.746 85 HB2 LYS 11 HB2 LYS 11 6.840 10.597 3.717 86 HB3 LYS 11 HB3 LYS 11 6.478 12.263 3.260 87 HG2 LYS 11 HG2 LYS 11 5.971 12.849 5.543 88 HG3 LYS 11 HG3 LYS 11 6.269 11.177 6.088 89 HD2 LYS 11 HD2 LYS 11 8.587 11.330 5.307 90 HD3 LYS 11 HD3 LYS 11 8.328 13.037 4.880 91 HE2 LYS 11 HE2 LYS 11 7.550 13.325 7.334 92 HE3 LYS 11 HE3 LYS 11 8.240 11.723 7.624 93 HZ1 LYS 11 HZ1 LYS 11 10.346 12.643 6.766 94 HZ2 LYS 11 HZ2 LYS 11 9.879 13.381 8.105 95 HZ3 LYS 11 HZ3 LYS 11 9.641 14.139 6.672 96 H CYS 12 H CYS 12 4.864 8.514 3.463 97 HA CYS 12 HA CYS 12 4.291 7.639 6.186 98 HB2 CYS 12 HB2 CYS 12 2.771 6.802 3.681 99 HB3 CYS 12 HB3 CYS 12 2.346 6.364 5.306 100 HG CYS 12 HG CYS 12 2.282 9.324 3.793 101 H VAL 13 H VAL 13 4.721 5.540 6.204 102 HA VAL 13 HA VAL 13 6.462 4.559 4.003 103 HB VAL 13 HB VAL 13 7.364 5.623 6.574 104 HG11 VAL 13 HG11 VAL 13 7.636 4.342 7.985 105 HG12 VAL 13 HG12 VAL 13 5.921 4.737 7.406 106 HG13 VAL 13 HG13 VAL 13 6.730 3.125 7.024 107 HG21 VAL 13 HG21 VAL 13 9.267 4.621 5.016 108 HG22 VAL 13 HG22 VAL 13 9.342 3.901 6.598 109 HG23 VAL 13 HG23 VAL 13 8.588 3.038 5.251 110 H ILE 14 H ILE 14 6.453 2.160 4.130 111 HA ILE 14 HA ILE 14 4.454 1.056 5.937 112 HB ILE 14 HB ILE 14 3.621 -0.348 4.175 113 HG12 ILE 14 HG12 ILE 14 4.573 0.667 1.768 114 HG13 ILE 14 HG13 ILE 14 5.988 0.642 2.687 115 HG21 ILE 14 HG21 ILE 14 2.347 1.630 4.480 116 HG22 ILE 14 HG22 ILE 14 3.391 2.634 3.514 117 HG23 ILE 14 HG23 ILE 14 2.436 1.351 2.739 118 HD11 ILE 14 HD11 ILE 14 4.064 -1.647 2.278 119 HD12 ILE 14 HD12 ILE 14 5.639 -1.431 1.479 120 HD13 ILE 14 HD13 ILE 14 5.571 -1.698 3.237 121 H ASP 15 H ASP 15 5.033 -0.963 6.505 122 HA ASP 15 HA ASP 15 7.761 -1.770 5.685 123 HB2 ASP 15 HB2 ASP 15 7.244 -0.943 8.098 124 HB3 ASP 15 HB3 ASP 15 6.176 -2.299 8.287 125 H LEU 16 H LEU 16 8.266 -3.866 5.038 126 HA LEU 16 HA LEU 16 5.920 -5.641 4.561 127 HB2 LEU 16 HB2 LEU 16 8.417 -5.220 2.893 128 HB3 LEU 16 HB3 LEU 16 7.105 -6.310 2.493 129 HG LEU 16 HG LEU 16 6.999 -3.282 2.641 130 HD11 LEU 16 HD11 LEU 16 6.728 -5.047 0.208 131 HD12 LEU 16 HD12 LEU 16 8.156 -4.094 0.662 132 HD13 LEU 16 HD13 LEU 16 6.636 -3.263 0.296 133 HD21 LEU 16 HD21 LEU 16 4.636 -3.918 1.484 134 HD22 LEU 16 HD22 LEU 16 4.867 -3.789 3.245 135 HD23 LEU 16 HD23 LEU 16 4.839 -5.365 2.492 136 H ASN 17 H ASN 17 6.419 -7.950 4.376 137 HA ASN 17 HA ASN 17 8.763 -8.770 6.041 138 HB2 ASN 17 HB2 ASN 17 6.309 -9.347 6.787 139 HB3 ASN 17 HB3 ASN 17 6.338 -10.496 5.454 140 HD21 ASN 17 HD21 ASN 17 8.798 -9.512 7.984 141 HD22 ASN 17 HD22 ASN 17 9.121 -11.159 8.431 142 H GLU 18 H GLU 18 10.407 -9.653 4.813 143 HA GLU 18 HA GLU 18 10.280 -9.929 2.013 144 HB2 GLU 18 HB2 GLU 18 12.309 -10.596 4.155 145 HB3 GLU 18 HB3 GLU 18 12.639 -11.006 2.465 146 HG2 GLU 18 HG2 GLU 18 12.331 -8.713 1.745 147 HG3 GLU 18 HG3 GLU 18 11.830 -8.234 3.362 148 H GLU 19 H GLU 19 8.317 -11.876 3.293 149 HA GLU 19 HA GLU 19 9.514 -14.517 2.629 150 HB2 GLU 19 HB2 GLU 19 7.543 -13.507 4.711 151 HB3 GLU 19 HB3 GLU 19 7.481 -15.187 4.178 152 HG2 GLU 19 HG2 GLU 19 10.251 -14.512 4.725 153 HG3 GLU 19 HG3 GLU 19 9.266 -13.939 6.054 154 H TYR 20 H TYR 20 7.899 -12.208 1.129 155 HA TYR 20 HA TYR 20 5.926 -14.038 -0.138 156 HB2 TYR 20 HB2 TYR 20 5.612 -11.047 0.180 157 HB3 TYR 20 HB3 TYR 20 4.486 -12.190 -0.457 158 HD1 TYR 20 HD1 TYR 20 3.677 -14.105 1.091 159 HD2 TYR 20 HD2 TYR 20 5.373 -10.402 2.481 160 HE1 TYR 20 HE1 TYR 20 2.527 -14.403 3.274 161 HE2 TYR 20 HE2 TYR 20 4.265 -10.718 4.684 162 HH TYR 20 HH TYR 20 2.325 -13.674 5.393 163 H GLU 21 H GLU 21 6.048 -14.164 -2.319 164 HA GLU 21 HA GLU 21 8.226 -13.512 -3.881 165 HB2 GLU 21 HB2 GLU 21 6.318 -15.041 -4.537 166 HB3 GLU 21 HB3 GLU 21 5.296 -13.634 -4.747 167 HG2 GLU 21 HG2 GLU 21 5.839 -13.877 -6.936 168 HG3 GLU 21 HG3 GLU 21 7.171 -12.866 -6.463 169 H VAL 22 H VAL 22 5.255 -11.617 -3.429 170 HA VAL 22 HA VAL 22 5.818 -9.540 -5.227 171 HB VAL 22 HB VAL 22 3.616 -10.160 -4.257 172 HG11 VAL 22 HG11 VAL 22 4.085 -10.655 -2.011 173 HG12 VAL 22 HG12 VAL 22 4.548 -8.984 -1.657 174 HG13 VAL 22 HG13 VAL 22 2.867 -9.389 -2.089 175 HG21 VAL 22 HG21 VAL 22 3.847 -7.983 -5.352 176 HG22 VAL 22 HG22 VAL 22 2.637 -7.951 -4.055 177 HG23 VAL 22 HG23 VAL 22 4.232 -7.230 -3.811 178 H VAL 23 H VAL 23 7.282 -10.069 -2.056 179 HA VAL 23 HA VAL 23 8.144 -7.273 -1.776 180 HB VAL 23 HB VAL 23 9.354 -9.647 -0.311 181 HG11 VAL 23 HG11 VAL 23 8.861 -6.722 0.413 182 HG12 VAL 23 HG12 VAL 23 9.656 -7.905 1.462 183 HG13 VAL 23 HG13 VAL 23 10.423 -7.442 -0.063 184 HG21 VAL 23 HG21 VAL 23 7.620 -10.183 0.844 185 HG22 VAL 23 HG22 VAL 23 7.361 -8.524 1.381 186 HG23 VAL 23 HG23 VAL 23 6.569 -9.102 -0.075 187 H LYS 24 H LYS 24 9.557 -10.536 -2.498 188 HA LYS 24 HA LYS 24 12.192 -9.723 -3.028 189 HB2 LYS 24 HB2 LYS 24 10.585 -12.034 -4.208 190 HB3 LYS 24 HB3 LYS 24 12.342 -11.940 -4.080 191 HG2 LYS 24 HG2 LYS 24 12.116 -11.852 -1.567 192 HG3 LYS 24 HG3 LYS 24 10.370 -12.032 -1.731 193 HD2 LYS 24 HD2 LYS 24 10.701 -14.233 -2.845 194 HD3 LYS 24 HD3 LYS 24 12.439 -14.046 -2.561 195 HE2 LYS 24 HE2 LYS 24 11.803 -13.701 -0.049 196 HE3 LYS 24 HE3 LYS 24 10.180 -14.215 -0.519 197 HZ1 LYS 24 HZ1 LYS 24 11.264 -16.066 0.304 198 HZ2 LYS 24 HZ2 LYS 24 12.648 -15.809 -0.515 199 HZ3 LYS 24 HZ3 LYS 24 11.301 -16.304 -1.333 200 H LEU 25 H LEU 25 9.297 -9.503 -4.950 201 HA LEU 25 HA LEU 25 10.740 -8.821 -7.435 202 HB2 LEU 25 HB2 LEU 25 7.811 -9.303 -6.718 203 HB3 LEU 25 HB3 LEU 25 8.302 -8.640 -8.267 204 HG LEU 25 HG LEU 25 9.120 -11.393 -7.213 205 HD11 LEU 25 HD11 LEU 25 6.851 -11.282 -7.850 206 HD12 LEU 25 HD12 LEU 25 7.709 -12.174 -9.074 207 HD13 LEU 25 HD13 LEU 25 7.219 -10.486 -9.403 208 HD21 LEU 25 HD21 LEU 25 10.926 -10.610 -8.577 209 HD22 LEU 25 HD22 LEU 25 9.824 -9.819 -9.731 210 HD23 LEU 25 HD23 LEU 25 9.932 -11.580 -9.659 211 H LEU 26 H LEU 26 8.672 -7.193 -4.925 212 HA LEU 26 HA LEU 26 8.674 -4.706 -6.346 213 HB2 LEU 26 HB2 LEU 26 8.098 -5.599 -3.575 214 HB3 LEU 26 HB3 LEU 26 8.925 -4.104 -3.620 215 HG LEU 26 HG LEU 26 6.289 -4.651 -5.016 216 HD11 LEU 26 HD11 LEU 26 7.003 -2.915 -2.606 217 HD12 LEU 26 HD12 LEU 26 6.218 -4.461 -2.553 218 HD13 LEU 26 HD13 LEU 26 5.368 -3.132 -3.331 219 HD21 LEU 26 HD21 LEU 26 6.213 -2.199 -5.450 220 HD22 LEU 26 HD22 LEU 26 7.586 -2.906 -6.291 221 HD23 LEU 26 HD23 LEU 26 7.867 -2.042 -4.786 222 H LYS 27 H LYS 27 11.071 -6.313 -4.316 223 HA LYS 27 HA LYS 27 12.829 -4.181 -3.813 224 HB2 LYS 27 HB2 LYS 27 13.038 -6.397 -2.800 225 HB3 LYS 27 HB3 LYS 27 13.417 -7.135 -4.347 226 HG2 LYS 27 HG2 LYS 27 15.145 -4.879 -3.355 227 HG3 LYS 27 HG3 LYS 27 15.325 -6.461 -2.597 228 HD2 LYS 27 HD2 LYS 27 16.295 -7.418 -4.451 229 HD3 LYS 27 HD3 LYS 27 15.367 -6.470 -5.590 230 HE2 LYS 27 HE2 LYS 27 17.587 -5.710 -5.803 231 HE3 LYS 27 HE3 LYS 27 16.711 -4.430 -4.983 232 HZ1 LYS 27 HZ1 LYS 27 18.937 -5.040 -4.086 233 HZ2 LYS 27 HZ2 LYS 27 18.320 -6.460 -3.561 234 HZ3 LYS 27 HZ3 LYS 27 17.751 -5.030 -2.947 235 H GLU 28 H GLU 28 12.306 -5.981 -6.835 236 HA GLU 28 HA GLU 28 14.756 -5.157 -8.081 237 HB2 GLU 28 HB2 GLU 28 12.122 -6.360 -9.008 238 HB3 GLU 28 HB3 GLU 28 13.340 -5.909 -10.173 239 HG2 GLU 28 HG2 GLU 28 14.347 -7.558 -7.875 240 HG3 GLU 28 HG3 GLU 28 13.197 -8.338 -8.950 241 H LYS 29 H LYS 29 11.816 -3.449 -7.469 242 HA LYS 29 HA LYS 29 12.221 -1.669 -9.835 243 HB2 LYS 29 HB2 LYS 29 9.665 -2.241 -8.294 244 HB3 LYS 29 HB3 LYS 29 9.808 -1.352 -9.799 245 HG2 LYS 29 HG2 LYS 29 10.198 -4.343 -9.405 246 HG3 LYS 29 HG3 LYS 29 8.846 -3.520 -10.168 247 HD2 LYS 29 HD2 LYS 29 10.651 -2.624 -11.866 248 HD3 LYS 29 HD3 LYS 29 11.646 -3.951 -11.235 249 HE2 LYS 29 HE2 LYS 29 9.541 -5.437 -11.631 250 HE3 LYS 29 HE3 LYS 29 8.914 -4.092 -12.584 251 HZ1 LYS 29 HZ1 LYS 29 11.386 -5.623 -13.145 252 HZ2 LYS 29 HZ2 LYS 29 10.863 -4.322 -14.026 253 HZ3 LYS 29 HZ3 LYS 29 9.981 -5.730 -13.939 254 H ILE 30 H ILE 30 12.890 -1.481 -6.588 255 HA ILE 30 HA ILE 30 11.547 1.147 -6.185 256 HB ILE 30 HB ILE 30 12.778 -0.868 -4.296 257 HG12 ILE 30 HG12 ILE 30 9.941 0.253 -4.358 258 HG13 ILE 30 HG13 ILE 30 10.398 -1.194 -5.225 259 HG21 ILE 30 HG21 ILE 30 11.523 1.780 -3.435 260 HG22 ILE 30 HG22 ILE 30 12.237 0.543 -2.395 261 HG23 ILE 30 HG23 ILE 30 13.280 1.462 -3.447 262 HD11 ILE 30 HD11 ILE 30 10.567 -0.826 -2.205 263 HD12 ILE 30 HD12 ILE 30 9.403 -1.811 -3.090 264 HD13 ILE 30 HD13 ILE 30 11.119 -2.266 -3.092 265 HA PRO 31 HA PRO 31 11.818 3.075 -5.136 266 HB2 PRO 31 HB2 PRO 31 12.530 5.608 -5.996 267 HB3 PRO 31 HB3 PRO 31 12.920 4.962 -4.392 268 HG2 PRO 31 HG2 PRO 31 14.710 5.115 -6.789 269 HG3 PRO 31 HG3 PRO 31 15.081 5.419 -5.047 270 HD2 PRO 31 HD2 PRO 31 15.712 3.063 -6.284 271 HD3 PRO 31 HD3 PRO 31 15.213 3.136 -4.578 272 H PHE 32 H PHE 32 10.109 4.196 -6.317 273 HA PHE 32 HA PHE 32 10.422 4.659 -9.121 274 HB2 PHE 32 HB2 PHE 32 8.593 3.309 -9.953 275 HB3 PHE 32 HB3 PHE 32 9.826 2.299 -9.268 276 HD1 PHE 32 HD1 PHE 32 9.421 1.179 -7.058 277 HD2 PHE 32 HD2 PHE 32 6.357 3.378 -9.085 278 HE1 PHE 32 HE1 PHE 32 7.708 0.013 -5.707 279 HE2 PHE 32 HE2 PHE 32 4.629 2.315 -7.678 280 HZ PHE 32 HZ PHE 32 5.306 0.602 -5.961 281 H GLU 33 H GLU 33 8.465 5.925 -9.962 282 HA GLU 33 HA GLU 33 6.917 7.164 -7.782 283 HB2 GLU 33 HB2 GLU 33 8.191 8.332 -10.220 284 HB3 GLU 33 HB3 GLU 33 6.830 9.128 -9.412 285 HG2 GLU 33 HG2 GLU 33 7.998 9.278 -7.374 286 HG3 GLU 33 HG3 GLU 33 9.343 8.275 -7.912 287 H SER 34 H SER 34 4.835 7.908 -8.436 288 HA SER 34 HA SER 34 3.512 6.531 -10.658 289 HB2 SER 34 HB2 SER 34 3.983 4.895 -8.605 290 HB3 SER 34 HB3 SER 34 2.634 5.767 -7.867 291 HG SER 34 HG SER 34 2.820 4.117 -10.130 292 H VAL 35 H VAL 35 1.035 6.657 -10.245 293 HA VAL 35 HA VAL 35 0.493 9.452 -9.593 294 HB VAL 35 HB VAL 35 -1.500 7.416 -10.695 295 HG11 VAL 35 HG11 VAL 35 -2.500 9.484 -9.818 296 HG12 VAL 35 HG12 VAL 35 -1.416 10.460 -10.825 297 HG13 VAL 35 HG13 VAL 35 -2.656 9.433 -11.576 298 HG21 VAL 35 HG21 VAL 35 0.339 9.176 -12.352 299 HG22 VAL 35 HG22 VAL 35 0.319 7.398 -12.303 300 HG23 VAL 35 HG23 VAL 35 -1.058 8.273 -12.973 301 H VAL 36 H VAL 36 -0.689 10.033 -7.815 302 HA VAL 36 HA VAL 36 -1.257 7.965 -5.789 303 HB VAL 36 HB VAL 36 -1.386 11.014 -5.664 304 HG11 VAL 36 HG11 VAL 36 -1.063 9.015 -3.424 305 HG12 VAL 36 HG12 VAL 36 -1.054 10.775 -3.280 306 HG13 VAL 36 HG13 VAL 36 -2.550 9.950 -3.752 307 HG21 VAL 36 HG21 VAL 36 0.842 10.881 -4.616 308 HG22 VAL 36 HG22 VAL 36 0.784 9.112 -4.821 309 HG23 VAL 36 HG23 VAL 36 0.923 10.190 -6.234 310 H ASN 37 H ASN 37 -3.069 7.055 -7.017 311 HA ASN 37 HA ASN 37 -5.389 8.797 -7.613 312 HB2 ASN 37 HB2 ASN 37 -5.110 5.775 -7.581 313 HB3 ASN 37 HB3 ASN 37 -6.603 6.648 -7.949 314 HD21 ASN 37 HD21 ASN 37 -3.367 5.900 -9.124 315 HD22 ASN 37 HD22 ASN 37 -3.635 6.405 -10.774 316 H THR 38 H THR 38 -7.272 8.858 -6.394 317 HA THR 38 HA THR 38 -7.052 7.854 -3.579 318 HB THR 38 HB THR 38 -8.421 9.960 -3.090 319 HG1 THR 38 HG1 THR 38 -7.739 10.462 -5.727 320 HG21 THR 38 HG21 THR 38 -6.383 11.382 -2.863 321 HG22 THR 38 HG22 THR 38 -5.475 10.149 -3.753 322 HG23 THR 38 HG23 THR 38 -6.253 9.758 -2.179 323 H TRP 39 H TRP 39 -8.815 6.866 -2.696 324 HA TRP 39 HA TRP 39 -11.378 6.935 -4.142 325 HB2 TRP 39 HB2 TRP 39 -10.348 5.121 -5.257 326 HB3 TRP 39 HB3 TRP 39 -9.681 4.469 -3.754 327 HD1 TRP 39 HD1 TRP 39 -13.168 5.170 -5.250 328 HE1 TRP 39 HE1 TRP 39 -14.755 3.230 -4.582 329 HE3 TRP 39 HE3 TRP 39 -10.026 2.550 -2.206 330 HZ2 TRP 39 HZ2 TRP 39 -14.586 0.793 -3.087 331 HZ3 TRP 39 HZ3 TRP 39 -10.766 0.454 -1.125 332 HH2 TRP 39 HH2 TRP 39 -13.007 -0.462 -1.583 333 H GLY 40 H GLY 40 -12.267 7.973 -2.461 334 HA2 GLY 40 HA2 GLY 40 -13.221 8.240 -0.347 335 HA3 GLY 40 HA3 GLY 40 -13.625 6.555 -0.642 336 H GLU 41 H GLU 41 -11.007 8.637 0.625 337 HA GLU 41 HA GLU 41 -9.543 8.393 2.315 338 HB2 GLU 41 HB2 GLU 41 -11.887 6.848 3.516 339 HB3 GLU 41 HB3 GLU 41 -10.473 7.383 4.409 340 HG2 GLU 41 HG2 GLU 41 -10.910 9.720 3.794 341 HG3 GLU 41 HG3 GLU 41 -12.302 9.255 2.811 342 H GLU 42 H GLU 42 -9.350 6.506 0.076 343 HA GLU 42 HA GLU 42 -7.264 4.868 1.335 344 HB2 GLU 42 HB2 GLU 42 -9.199 3.588 0.057 345 HB3 GLU 42 HB3 GLU 42 -8.434 4.229 -1.387 346 HG2 GLU 42 HG2 GLU 42 -6.259 3.132 -0.439 347 HG3 GLU 42 HG3 GLU 42 -7.334 2.258 0.639 348 H ILE 43 H ILE 43 -5.304 4.826 0.021 349 HA ILE 43 HA ILE 43 -5.126 6.622 -2.334 350 HB ILE 43 HB ILE 43 -2.774 5.810 -0.599 351 HG12 ILE 43 HG12 ILE 43 -3.797 7.384 0.836 352 HG13 ILE 43 HG13 ILE 43 -2.388 8.099 0.093 353 HG21 ILE 43 HG21 ILE 43 -2.060 6.188 -2.841 354 HG22 ILE 43 HG22 ILE 43 -2.969 7.705 -2.950 355 HG23 ILE 43 HG23 ILE 43 -1.540 7.558 -1.887 356 HD11 ILE 43 HD11 ILE 43 -4.171 9.708 0.249 357 HD12 ILE 43 HD12 ILE 43 -3.843 9.361 -1.466 358 HD13 ILE 43 HD13 ILE 43 -5.262 8.639 -0.642 359 H TYR 44 H TYR 44 -4.187 5.487 -4.113 360 HA TYR 44 HA TYR 44 -2.589 3.088 -3.536 361 HB2 TYR 44 HB2 TYR 44 -3.660 1.791 -5.303 362 HB3 TYR 44 HB3 TYR 44 -4.730 2.040 -3.935 363 HD1 TYR 44 HD1 TYR 44 -6.567 3.844 -4.156 364 HD2 TYR 44 HD2 TYR 44 -4.319 2.292 -7.487 365 HE1 TYR 44 HE1 TYR 44 -8.246 4.762 -5.707 366 HE2 TYR 44 HE2 TYR 44 -6.075 3.060 -9.040 367 HH TYR 44 HH TYR 44 -8.857 5.045 -7.943 368 H PHE 45 H PHE 45 -1.474 2.444 -5.593 369 HA PHE 45 HA PHE 45 -1.173 4.521 -7.614 370 HB2 PHE 45 HB2 PHE 45 1.418 4.075 -7.216 371 HB3 PHE 45 HB3 PHE 45 0.576 5.412 -6.466 372 HD1 PHE 45 HD1 PHE 45 -0.024 5.283 -3.995 373 HD2 PHE 45 HD2 PHE 45 2.466 2.382 -5.963 374 HE1 PHE 45 HE1 PHE 45 0.909 4.580 -1.787 375 HE2 PHE 45 HE2 PHE 45 3.363 1.648 -3.760 376 HZ PHE 45 HZ PHE 45 2.602 2.778 -1.684 377 H SER 46 H SER 46 -0.241 3.615 -9.550 378 HA SER 46 HA SER 46 -1.085 0.869 -9.886 379 HB2 SER 46 HB2 SER 46 -0.399 1.484 -12.307 380 HB3 SER 46 HB3 SER 46 -1.820 2.230 -11.594 381 HG SER 46 HG SER 46 0.272 3.444 -12.611 382 H THR 47 H THR 47 0.569 -0.109 -8.497 383 HA THR 47 HA THR 47 3.274 0.357 -8.864 384 HB THR 47 HB THR 47 3.619 -1.784 -7.611 385 HG1 THR 47 HG1 THR 47 1.866 -2.865 -6.868 386 HG21 THR 47 HG21 THR 47 3.180 0.367 -6.453 387 HG22 THR 47 HG22 THR 47 2.596 -1.032 -5.539 388 HG23 THR 47 HG23 THR 47 1.449 -0.007 -6.421 389 HA PRO 48 HA PRO 48 4.549 -1.773 -12.454 390 HB2 PRO 48 HB2 PRO 48 7.151 -2.415 -11.767 391 HB3 PRO 48 HB3 PRO 48 6.597 -0.791 -12.259 392 HG2 PRO 48 HG2 PRO 48 7.108 -1.849 -9.469 393 HG3 PRO 48 HG3 PRO 48 7.483 -0.237 -10.120 394 HD2 PRO 48 HD2 PRO 48 5.316 -0.720 -8.596 395 HD3 PRO 48 HD3 PRO 48 5.307 0.500 -9.900 396 H VAL 49 H VAL 49 4.283 -3.309 -9.445 397 HA VAL 49 HA VAL 49 5.111 -5.977 -10.336 398 HB VAL 49 HB VAL 49 4.121 -5.159 -7.582 399 HG11 VAL 49 HG11 VAL 49 5.553 -7.055 -6.861 400 HG12 VAL 49 HG12 VAL 49 4.272 -7.575 -7.964 401 HG13 VAL 49 HG13 VAL 49 5.943 -7.400 -8.560 402 HG21 VAL 49 HG21 VAL 49 5.878 -3.635 -7.871 403 HG22 VAL 49 HG22 VAL 49 6.689 -5.039 -7.149 404 HG23 VAL 49 HG23 VAL 49 6.821 -4.742 -8.881 405 H ASN 50 H ASN 50 3.720 -7.433 -11.070 406 HA ASN 50 HA ASN 50 0.809 -7.067 -10.699 407 HB2 ASN 50 HB2 ASN 50 0.527 -7.592 -13.042 408 HB3 ASN 50 HB3 ASN 50 1.400 -6.094 -12.679 409 HD21 ASN 50 HD21 ASN 50 2.344 -5.903 -14.617 410 HD22 ASN 50 HD22 ASN 50 3.557 -7.027 -15.154 411 H VAL 51 H VAL 51 2.373 -8.852 -9.169 412 HA VAL 51 HA VAL 51 2.033 -11.548 -10.157 413 HB VAL 51 HB VAL 51 2.997 -12.091 -7.996 414 HG11 VAL 51 HG11 VAL 51 4.978 -10.547 -7.890 415 HG12 VAL 51 HG12 VAL 51 4.708 -11.346 -9.461 416 HG13 VAL 51 HG13 VAL 51 4.333 -9.627 -9.222 417 HG21 VAL 51 HG21 VAL 51 3.467 -10.438 -6.292 418 HG22 VAL 51 HG22 VAL 51 2.522 -9.205 -7.160 419 HG23 VAL 51 HG23 VAL 51 1.735 -10.660 -6.500 420 H GLN 52 H GLN 52 0.709 -13.137 -8.869 421 HA GLN 52 HA GLN 52 -1.541 -11.941 -7.383 422 HB2 GLN 52 HB2 GLN 52 -1.928 -13.859 -9.707 423 HB3 GLN 52 HB3 GLN 52 -3.140 -13.320 -8.532 424 HG2 GLN 52 HG2 GLN 52 -2.482 -10.905 -9.328 425 HG3 GLN 52 HG3 GLN 52 -1.806 -11.712 -10.735 426 HE21 GLN 52 HE21 GLN 52 -4.347 -13.719 -10.099 427 HE22 GLN 52 HE22 GLN 52 -5.628 -12.810 -10.866 428 H LYS 53 H LYS 53 0.846 -13.324 -6.605 429 HA LYS 53 HA LYS 53 -0.171 -15.850 -5.390 430 HB2 LYS 53 HB2 LYS 53 2.284 -15.420 -6.173 431 HB3 LYS 53 HB3 LYS 53 2.428 -14.398 -4.732 432 HG2 LYS 53 HG2 LYS 53 1.716 -16.395 -3.308 433 HG3 LYS 53 HG3 LYS 53 1.632 -17.337 -4.828 434 HD2 LYS 53 HD2 LYS 53 4.098 -16.714 -5.205 435 HD3 LYS 53 HD3 LYS 53 4.074 -16.068 -3.565 436 HE2 LYS 53 HE2 LYS 53 4.834 -18.249 -3.190 437 HE3 LYS 53 HE3 LYS 53 3.097 -18.434 -2.905 438 HZ1 LYS 53 HZ1 LYS 53 3.964 -20.162 -4.329 439 HZ2 LYS 53 HZ2 LYS 53 4.562 -19.062 -5.390 440 HZ3 LYS 53 HZ3 LYS 53 2.921 -19.236 -5.194 441 H MET 54 H MET 54 -0.665 -15.984 -3.084 442 HA MET 54 HA MET 54 0.002 -13.731 -1.449 443 HB2 MET 54 HB2 MET 54 -2.238 -13.482 -0.526 444 HB3 MET 54 HB3 MET 54 -2.243 -13.045 -2.237 445 HG2 MET 54 HG2 MET 54 -3.130 -15.705 -1.062 446 HG3 MET 54 HG3 MET 54 -4.178 -14.339 -1.407 447 HE1 MET 54 HE1 MET 54 -5.315 -17.193 -3.690 448 HE2 MET 54 HE2 MET 54 -4.313 -17.523 -2.261 449 HE3 MET 54 HE3 MET 54 -5.589 -16.287 -2.200 450 H GLU 55 H GLU 55 -0.196 -14.406 0.880 451 HA GLU 55 HA GLU 55 -0.743 -17.281 1.198 452 HB2 GLU 55 HB2 GLU 55 1.839 -15.985 1.977 453 HB3 GLU 55 HB3 GLU 55 1.220 -17.336 2.923 454 HG2 GLU 55 HG2 GLU 55 1.582 -17.510 -0.084 455 HG3 GLU 55 HG3 GLU 55 2.888 -17.812 1.037 456 H ASN 56 H ASN 56 -0.821 -13.935 2.570 457 HA ASN 56 HA ASN 56 -2.484 -15.025 4.771 458 HB2 ASN 56 HB2 ASN 56 -0.288 -13.860 5.406 459 HB3 ASN 56 HB3 ASN 56 -1.032 -12.363 4.862 460 HD21 ASN 56 HD21 ASN 56 -1.654 -11.270 6.847 461 HD22 ASN 56 HD22 ASN 56 -2.288 -12.146 8.202 462 HA PRO 57 HA PRO 57 -4.917 -12.344 1.833 463 HB2 PRO 57 HB2 PRO 57 -6.914 -14.136 1.117 464 HB3 PRO 57 HB3 PRO 57 -5.388 -13.926 0.220 465 HG2 PRO 57 HG2 PRO 57 -6.052 -16.001 2.325 466 HG3 PRO 57 HG3 PRO 57 -5.243 -16.241 0.732 467 HD2 PRO 57 HD2 PRO 57 -3.830 -16.060 3.025 468 HD3 PRO 57 HD3 PRO 57 -3.247 -15.321 1.479 469 H ARG 58 H ARG 58 -6.513 -11.072 2.573 470 HA ARG 58 HA ARG 58 -8.459 -12.215 4.481 471 HB2 ARG 58 HB2 ARG 58 -8.313 -10.909 6.122 472 HB3 ARG 58 HB3 ARG 58 -6.577 -10.983 5.753 473 HG2 ARG 58 HG2 ARG 58 -6.150 -9.087 5.074 474 HG3 ARG 58 HG3 ARG 58 -7.828 -8.679 4.804 475 HD2 ARG 58 HD2 ARG 58 -7.594 -7.827 6.913 476 HD3 ARG 58 HD3 ARG 58 -8.086 -9.455 7.388 477 HE ARG 58 HE ARG 58 -5.793 -7.956 8.086 478 HH11 ARG 58 HH11 ARG 58 -6.591 -11.438 7.743 479 HH12 ARG 58 HH12 ARG 58 -5.022 -11.934 8.164 480 HH21 ARG 58 HH21 ARG 58 -4.098 -8.578 9.148 481 HH22 ARG 58 HH22 ARG 58 -3.672 -10.226 9.389 482 H GLU 59 H GLU 59 -10.242 -10.767 4.907 483 HA GLU 59 HA GLU 59 -10.824 -8.883 2.701 484 HB2 GLU 59 HB2 GLU 59 -12.750 -10.867 3.977 485 HB3 GLU 59 HB3 GLU 59 -13.162 -9.626 2.779 486 HG2 GLU 59 HG2 GLU 59 -11.218 -10.649 1.394 487 HG3 GLU 59 HG3 GLU 59 -11.405 -12.069 2.424 488 H VAL 60 H VAL 60 -10.062 -8.809 5.962 489 HA VAL 60 HA VAL 60 -11.110 -6.160 6.102 490 HB VAL 60 HB VAL 60 -12.903 -7.187 6.793 491 HG11 VAL 60 HG11 VAL 60 -13.316 -8.746 8.479 492 HG12 VAL 60 HG12 VAL 60 -12.377 -9.398 7.152 493 HG13 VAL 60 HG13 VAL 60 -11.555 -9.025 8.704 494 HG21 VAL 60 HG21 VAL 60 -13.110 -6.461 9.235 495 HG22 VAL 60 HG22 VAL 60 -11.377 -6.243 9.301 496 HG23 VAL 60 HG23 VAL 60 -12.325 -5.265 8.185 497 H VAL 61 H VAL 61 -9.497 -5.048 6.475 498 HA VAL 61 HA VAL 61 -7.167 -6.090 7.988 499 HB VAL 61 HB VAL 61 -5.930 -4.496 6.504 500 HG11 VAL 61 HG11 VAL 61 -6.056 -6.936 5.704 501 HG12 VAL 61 HG12 VAL 61 -7.516 -6.585 4.886 502 HG13 VAL 61 HG13 VAL 61 -6.028 -5.715 4.412 503 HG21 VAL 61 HG21 VAL 61 -7.706 -2.889 6.082 504 HG22 VAL 61 HG22 VAL 61 -7.007 -3.510 4.601 505 HG23 VAL 61 HG23 VAL 61 -8.595 -4.048 5.071 506 H GLU 62 H GLU 62 -5.767 -3.945 8.611 507 HA GLU 62 HA GLU 62 -7.505 -2.542 10.572 508 HB2 GLU 62 HB2 GLU 62 -4.468 -2.480 10.323 509 HB3 GLU 62 HB3 GLU 62 -5.447 -1.762 11.594 510 HG2 GLU 62 HG2 GLU 62 -6.404 -4.286 11.790 511 HG3 GLU 62 HG3 GLU 62 -4.836 -4.613 11.059 512 H ILE 63 H ILE 63 -6.788 -0.340 11.036 513 HA ILE 63 HA ILE 63 -7.163 1.402 8.729 514 HB ILE 63 HB ILE 63 -6.583 2.155 11.634 515 HG12 ILE 63 HG12 ILE 63 -9.209 1.545 10.262 516 HG13 ILE 63 HG13 ILE 63 -8.531 0.709 11.665 517 HG21 ILE 63 HG21 ILE 63 -8.101 3.724 9.528 518 HG22 ILE 63 HG22 ILE 63 -7.706 4.269 11.172 519 HG23 ILE 63 HG23 ILE 63 -6.419 4.064 10.015 520 HD11 ILE 63 HD11 ILE 63 -10.315 1.987 12.493 521 HD12 ILE 63 HD12 ILE 63 -8.855 2.879 12.966 522 HD13 ILE 63 HD13 ILE 63 -9.847 3.419 11.576 523 H GLY 64 H GLY 64 -4.553 -0.124 10.051 524 HA2 GLY 64 HA2 GLY 64 -2.589 1.661 8.732 525 HA3 GLY 64 HA3 GLY 64 -2.371 1.232 10.437 526 H ASP 65 H ASP 65 -3.726 -1.027 8.067 527 HA ASP 65 HA ASP 65 -1.202 -2.606 8.095 528 HB2 ASP 65 HB2 ASP 65 -3.902 -3.192 6.882 529 HB3 ASP 65 HB3 ASP 65 -2.505 -4.211 6.653 530 H VAL 66 H VAL 66 -1.776 -3.481 5.371 531 HA VAL 66 HA VAL 66 -2.098 -1.265 3.568 532 HB VAL 66 HB VAL 66 0.416 -3.001 3.743 533 HG11 VAL 66 HG11 VAL 66 -0.455 -1.513 1.261 534 HG12 VAL 66 HG12 VAL 66 1.209 -2.041 1.598 535 HG13 VAL 66 HG13 VAL 66 -0.050 -3.249 1.436 536 HG21 VAL 66 HG21 VAL 66 1.533 -0.812 3.525 537 HG22 VAL 66 HG22 VAL 66 -0.082 -0.044 3.599 538 HG23 VAL 66 HG23 VAL 66 0.520 -0.999 4.961 539 H GLY 67 H GLY 67 -2.523 -2.449 1.320 540 HA2 GLY 67 HA2 GLY 67 -2.217 -5.294 1.516 541 HA3 GLY 67 HA3 GLY 67 -3.854 -4.821 1.025 542 H TYR 68 H TYR 68 -1.831 -6.162 -0.637 543 HA TYR 68 HA TYR 68 -1.371 -4.107 -2.738 544 HB2 TYR 68 HB2 TYR 68 -0.003 -5.506 -3.786 545 HB3 TYR 68 HB3 TYR 68 0.242 -6.136 -2.182 546 HD1 TYR 68 HD1 TYR 68 -1.878 -8.053 -1.667 547 HD2 TYR 68 HD2 TYR 68 0.094 -7.136 -5.397 548 HE1 TYR 68 HE1 TYR 68 -2.398 -10.335 -2.517 549 HE2 TYR 68 HE2 TYR 68 -0.386 -9.398 -6.209 550 HH TYR 68 HH TYR 68 -1.081 -11.941 -4.400 551 H TRP 69 H TRP 69 -2.577 -4.247 -4.725 552 HA TRP 69 HA TRP 69 -5.088 -5.764 -4.510 553 HB2 TRP 69 HB2 TRP 69 -5.213 -3.226 -4.130 554 HB3 TRP 69 HB3 TRP 69 -5.086 -3.098 -5.867 555 HD1 TRP 69 HD1 TRP 69 -7.118 -5.394 -3.484 556 HE1 TRP 69 HE1 TRP 69 -9.590 -5.352 -4.100 557 HE3 TRP 69 HE3 TRP 69 -6.993 -2.085 -7.399 558 HZ2 TRP 69 HZ2 TRP 69 -11.246 -4.336 -6.212 559 HZ3 TRP 69 HZ3 TRP 69 -8.957 -1.798 -8.839 560 HH2 TRP 69 HH2 TRP 69 -11.121 -2.874 -8.238 561 HA PRO 70 HA PRO 70 -2.699 -7.276 -8.110 562 HB2 PRO 70 HB2 PRO 70 -4.329 -9.564 -8.386 563 HB3 PRO 70 HB3 PRO 70 -2.743 -9.462 -7.595 564 HG2 PRO 70 HG2 PRO 70 -5.390 -9.743 -6.349 565 HG3 PRO 70 HG3 PRO 70 -3.786 -9.952 -5.623 566 HD2 PRO 70 HD2 PRO 70 -5.585 -7.732 -5.363 567 HD3 PRO 70 HD3 PRO 70 -4.033 -7.881 -4.647 568 HA PRO 71 HA PRO 71 -6.616 -7.995 -10.576 569 HB2 PRO 71 HB2 PRO 71 -9.136 -7.153 -9.834 570 HB3 PRO 71 HB3 PRO 71 -8.344 -8.636 -9.220 571 HG2 PRO 71 HG2 PRO 71 -8.480 -5.910 -7.893 572 HG3 PRO 71 HG3 PRO 71 -8.679 -7.534 -7.104 573 HD2 PRO 71 HD2 PRO 71 -6.456 -6.292 -6.909 574 HD3 PRO 71 HD3 PRO 71 -6.590 -8.076 -7.142 575 H GLY 72 H GLY 72 -5.813 -4.806 -9.662 576 HA2 GLY 72 HA2 GLY 72 -6.477 -3.856 -12.384 577 HA3 GLY 72 HA3 GLY 72 -6.582 -2.838 -10.950 578 H LYS 73 H LYS 73 -4.014 -4.977 -10.514 579 HA LYS 73 HA LYS 73 -1.841 -4.634 -10.105 580 HB2 LYS 73 HB2 LYS 73 -1.921 -3.194 -12.790 581 HB3 LYS 73 HB3 LYS 73 -0.470 -3.401 -11.831 582 HG2 LYS 73 HG2 LYS 73 -0.409 -5.106 -13.388 583 HG3 LYS 73 HG3 LYS 73 -0.764 -5.828 -11.811 584 HD2 LYS 73 HD2 LYS 73 -1.976 -7.007 -13.477 585 HD3 LYS 73 HD3 LYS 73 -3.160 -6.080 -12.551 586 HE2 LYS 73 HE2 LYS 73 -2.990 -4.283 -14.356 587 HE3 LYS 73 HE3 LYS 73 -1.938 -5.391 -15.264 588 HZ1 LYS 73 HZ1 LYS 73 -4.749 -5.985 -14.460 589 HZ2 LYS 73 HZ2 LYS 73 -3.827 -6.923 -15.425 590 HZ3 LYS 73 HZ3 LYS 73 -4.299 -5.442 -15.926 591 H ALA 74 H ALA 74 -2.517 -3.438 -8.141 592 HA ALA 74 HA ALA 74 -1.166 -0.863 -8.117 593 HB1 ALA 74 HB1 ALA 74 -3.564 -0.288 -8.690 594 HB2 ALA 74 HB2 ALA 74 -4.056 -1.054 -7.154 595 HB3 ALA 74 HB3 ALA 74 -3.027 0.379 -7.144 596 H LEU 75 H LEU 75 -1.340 0.033 -5.813 597 HA LEU 75 HA LEU 75 -1.203 -2.062 -3.704 598 HB2 LEU 75 HB2 LEU 75 0.575 -0.024 -4.000 599 HB3 LEU 75 HB3 LEU 75 -0.678 0.870 -3.156 600 HG LEU 75 HG LEU 75 -0.609 -1.145 -1.436 601 HD11 LEU 75 HD11 LEU 75 2.090 -1.450 -2.757 602 HD12 LEU 75 HD12 LEU 75 0.740 -2.594 -2.936 603 HD13 LEU 75 HD13 LEU 75 1.461 -2.335 -1.335 604 HD21 LEU 75 HD21 LEU 75 1.127 -0.122 -0.133 605 HD22 LEU 75 HD22 LEU 75 0.196 1.148 -0.930 606 HD23 LEU 75 HD23 LEU 75 1.793 0.674 -1.565 607 H CYS 76 H CYS 76 -2.213 -0.892 -1.517 608 HA CYS 76 HA CYS 76 -4.381 0.989 -1.936 609 HB2 CYS 76 HB2 CYS 76 -4.594 -1.710 -0.542 610 HB3 CYS 76 HB3 CYS 76 -5.690 -0.360 -0.220 611 HG CYS 76 HG CYS 76 -6.608 -0.054 -2.535 612 H LEU 77 H LEU 77 -4.505 2.269 -0.078 613 HA LEU 77 HA LEU 77 -3.015 1.586 2.411 614 HB2 LEU 77 HB2 LEU 77 -3.213 4.305 1.031 615 HB3 LEU 77 HB3 LEU 77 -2.663 4.093 2.666 616 HG LEU 77 HG LEU 77 -1.335 3.148 0.096 617 HD11 LEU 77 HD11 LEU 77 -0.312 5.087 2.222 618 HD12 LEU 77 HD12 LEU 77 -1.118 5.615 0.746 619 HD13 LEU 77 HD13 LEU 77 0.428 4.751 0.650 620 HD21 LEU 77 HD21 LEU 77 -0.275 2.753 2.925 621 HD22 LEU 77 HD22 LEU 77 0.624 2.455 1.424 622 HD23 LEU 77 HD23 LEU 77 -0.788 1.468 1.810 623 H PHE 78 H PHE 78 -4.884 0.956 3.476 624 HA PHE 78 HA PHE 78 -7.325 2.619 3.395 625 HB2 PHE 78 HB2 PHE 78 -6.975 0.318 5.339 626 HB3 PHE 78 HB3 PHE 78 -8.396 0.880 4.502 627 HD1 PHE 78 HD1 PHE 78 -8.642 0.416 1.953 628 HD2 PHE 78 HD2 PHE 78 -5.671 -1.578 4.428 629 HE1 PHE 78 HE1 PHE 78 -8.327 -1.305 0.249 630 HE2 PHE 78 HE2 PHE 78 -5.349 -3.228 2.721 631 HZ PHE 78 HZ PHE 78 -6.693 -3.169 0.613 632 H PHE 79 H PHE 79 -7.652 4.179 4.976 633 HA PHE 79 HA PHE 79 -6.189 4.052 7.524 634 HB2 PHE 79 HB2 PHE 79 -5.284 6.345 7.333 635 HB3 PHE 79 HB3 PHE 79 -4.580 5.180 6.290 636 HD1 PHE 79 HD1 PHE 79 -6.797 8.190 6.297 637 HD2 PHE 79 HD2 PHE 79 -4.869 5.191 3.931 638 HE1 PHE 79 HE1 PHE 79 -7.286 9.511 4.221 639 HE2 PHE 79 HE2 PHE 79 -5.324 6.427 1.906 640 HZ PHE 79 HZ PHE 79 -6.539 8.655 1.979 641 H GLY 80 H GLY 80 -9.149 4.127 6.446 642 HA2 GLY 80 HA2 GLY 80 -9.939 5.356 8.959 643 HA3 GLY 80 HA3 GLY 80 -10.699 6.111 7.549 644 H LYS 81 H LYS 81 -11.906 4.743 6.085 645 HA LYS 81 HA LYS 81 -12.508 2.058 6.909 646 HB2 LYS 81 HB2 LYS 81 -13.952 3.154 8.502 647 HB3 LYS 81 HB3 LYS 81 -14.565 4.262 7.265 648 HG2 LYS 81 HG2 LYS 81 -15.810 2.559 6.201 649 HG3 LYS 81 HG3 LYS 81 -15.136 1.277 7.247 650 HD2 LYS 81 HD2 LYS 81 -16.365 2.107 9.132 651 HD3 LYS 81 HD3 LYS 81 -16.697 3.646 8.293 652 HE2 LYS 81 HE2 LYS 81 -18.033 2.381 6.590 653 HE3 LYS 81 HE3 LYS 81 -17.870 0.923 7.575 654 HZ1 LYS 81 HZ1 LYS 81 -18.923 3.399 8.781 655 HZ2 LYS 81 HZ2 LYS 81 -19.201 1.841 9.226 656 HZ3 LYS 81 HZ3 LYS 81 -19.914 2.441 7.907 657 H THR 82 H THR 82 -12.415 4.287 4.499 658 HA THR 82 HA THR 82 -13.047 4.323 2.326 659 HB THR 82 HB THR 82 -13.054 1.752 1.351 660 HG1 THR 82 HG1 THR 82 -12.613 1.018 3.609 661 HG21 THR 82 HG21 THR 82 -11.517 3.439 0.582 662 HG22 THR 82 HG22 THR 82 -10.608 2.000 1.055 663 HG23 THR 82 HG23 THR 82 -10.656 3.416 2.137 664 HA PRO 83 HA PRO 83 -17.315 3.837 1.711 665 HB2 PRO 83 HB2 PRO 83 -17.712 3.972 -0.929 666 HB3 PRO 83 HB3 PRO 83 -16.827 5.265 -0.057 667 HG2 PRO 83 HG2 PRO 83 -15.650 2.941 -1.619 668 HG3 PRO 83 HG3 PRO 83 -15.261 4.688 -1.773 669 HD2 PRO 83 HD2 PRO 83 -13.810 2.959 -0.215 670 HD3 PRO 83 HD3 PRO 83 -14.023 4.679 0.209 671 H MET 84 H MET 84 -15.461 1.082 1.067 672 HA MET 84 HA MET 84 -17.731 -0.464 -0.068 673 HB2 MET 84 HB2 MET 84 -14.992 -0.089 -0.829 674 HB3 MET 84 HB3 MET 84 -15.180 -1.776 -0.404 675 HG2 MET 84 HG2 MET 84 -15.607 -1.378 -2.772 676 HG3 MET 84 HG3 MET 84 -17.047 -2.001 -1.968 677 HE1 MET 84 HE1 MET 84 -18.454 0.166 -4.867 678 HE2 MET 84 HE2 MET 84 -16.805 -0.506 -4.919 679 HE3 MET 84 HE3 MET 84 -18.128 -1.463 -4.226 680 H SER 85 H SER 85 -17.689 0.151 2.649 681 HA SER 85 HA SER 85 -17.317 -2.510 3.885 682 HB2 SER 85 HB2 SER 85 -16.601 -1.110 5.910 683 HB3 SER 85 HB3 SER 85 -15.411 -1.228 4.594 684 HG SER 85 HG SER 85 -15.462 0.892 4.764 685 H ASP 86 H ASP 86 -18.464 -2.314 6.109 686 HA ASP 86 HA ASP 86 -20.643 -0.339 6.186 687 HB2 ASP 86 HB2 ASP 86 -21.775 -2.276 5.250 688 HB3 ASP 86 HB3 ASP 86 -21.112 -3.321 6.517 689 H ASP 87 H ASP 87 -19.056 -3.085 7.823 690 HA ASP 87 HA ASP 87 -19.523 -1.777 10.419 691 HB2 ASP 87 HB2 ASP 87 -20.420 -4.092 9.533 692 HB3 ASP 87 HB3 ASP 87 -18.808 -4.650 9.872 693 H LYS 88 H LYS 88 -16.837 -2.549 8.370 694 HA LYS 88 HA LYS 88 -14.768 -2.163 10.380 695 HB2 LYS 88 HB2 LYS 88 -13.904 -4.485 10.033 696 HB3 LYS 88 HB3 LYS 88 -15.414 -4.392 10.902 697 HG2 LYS 88 HG2 LYS 88 -16.530 -4.832 8.511 698 HG3 LYS 88 HG3 LYS 88 -14.930 -5.392 8.076 699 HD2 LYS 88 HD2 LYS 88 -15.211 -7.333 9.204 700 HD3 LYS 88 HD3 LYS 88 -15.850 -6.524 10.634 701 HE2 LYS 88 HE2 LYS 88 -18.066 -6.277 9.430 702 HE3 LYS 88 HE3 LYS 88 -17.402 -7.233 8.108 703 HZ1 LYS 88 HZ1 LYS 88 -17.323 -9.114 9.501 704 HZ2 LYS 88 HZ2 LYS 88 -18.749 -8.384 9.886 705 HZ3 LYS 88 HZ3 LYS 88 -17.483 -8.222 10.891 706 H ILE 89 H ILE 89 -12.538 -2.456 9.199 707 HA ILE 89 HA ILE 89 -12.839 -1.165 6.593 708 HB ILE 89 HB ILE 89 -10.258 -1.775 8.085 709 HG12 ILE 89 HG12 ILE 89 -10.544 0.901 8.251 710 HG13 ILE 89 HG13 ILE 89 -12.261 0.485 8.210 711 HG21 ILE 89 HG21 ILE 89 -10.849 0.142 5.766 712 HG22 ILE 89 HG22 ILE 89 -9.297 -0.059 6.616 713 HG23 ILE 89 HG23 ILE 89 -9.931 -1.373 5.641 714 HD11 ILE 89 HD11 ILE 89 -11.377 0.812 10.446 715 HD12 ILE 89 HD12 ILE 89 -12.005 -0.833 10.246 716 HD13 ILE 89 HD13 ILE 89 -10.239 -0.546 10.208 717 H GLN 90 H GLN 90 -13.883 -2.991 5.682 718 HA GLN 90 HA GLN 90 -12.306 -5.205 4.715 719 HB2 GLN 90 HB2 GLN 90 -14.837 -3.902 3.628 720 HB3 GLN 90 HB3 GLN 90 -14.137 -5.436 3.098 721 HG2 GLN 90 HG2 GLN 90 -14.383 -6.300 5.464 722 HG3 GLN 90 HG3 GLN 90 -15.246 -4.859 5.903 723 HE21 GLN 90 HE21 GLN 90 -15.133 -7.434 3.488 724 HE22 GLN 90 HE22 GLN 90 -16.852 -7.568 3.196 725 HA PRO 91 HA PRO 91 -10.311 -2.776 1.382 726 HB2 PRO 91 HB2 PRO 91 -9.338 -4.813 -0.099 727 HB3 PRO 91 HB3 PRO 91 -8.663 -4.467 1.534 728 HG2 PRO 91 HG2 PRO 91 -10.744 -6.537 0.748 729 HG3 PRO 91 HG3 PRO 91 -9.287 -6.780 1.761 730 HD2 PRO 91 HD2 PRO 91 -11.813 -6.289 2.695 731 HD3 PRO 91 HD3 PRO 91 -10.337 -5.785 3.603 732 H ALA 92 H ALA 92 -10.274 -3.202 -1.207 733 HA ALA 92 HA ALA 92 -13.049 -3.365 -2.090 734 HB1 ALA 92 HB1 ALA 92 -11.443 -1.582 -2.882 735 HB2 ALA 92 HB2 ALA 92 -10.511 -2.831 -3.697 736 HB3 ALA 92 HB3 ALA 92 -12.187 -2.513 -4.190 737 H SER 93 H SER 93 -10.570 -5.671 -1.787 738 HA SER 93 HA SER 93 -12.109 -7.739 -2.764 739 HB2 SER 93 HB2 SER 93 -11.253 -7.015 -5.036 740 HB3 SER 93 HB3 SER 93 -9.600 -7.279 -4.473 741 HG SER 93 HG SER 93 -10.828 -8.944 -5.762 742 H ALA 94 H ALA 94 -10.759 -9.697 -2.528 743 HA ALA 94 HA ALA 94 -9.543 -9.724 0.037 744 HB1 ALA 94 HB1 ALA 94 -9.293 -11.815 -2.157 745 HB2 ALA 94 HB2 ALA 94 -8.868 -12.053 -0.443 746 HB3 ALA 94 HB3 ALA 94 -10.552 -11.721 -0.902 747 H VAL 95 H VAL 95 -7.831 -8.401 0.381 748 HA VAL 95 HA VAL 95 -5.464 -8.432 -1.383 749 HB VAL 95 HB VAL 95 -4.573 -6.692 0.043 750 HG11 VAL 95 HG11 VAL 95 -7.414 -5.901 -0.573 751 HG12 VAL 95 HG12 VAL 95 -5.935 -4.925 -0.669 752 HG13 VAL 95 HG13 VAL 95 -6.206 -6.235 -1.823 753 HG21 VAL 95 HG21 VAL 95 -7.055 -7.027 1.770 754 HG22 VAL 95 HG22 VAL 95 -5.365 -7.224 2.255 755 HG23 VAL 95 HG23 VAL 95 -5.980 -5.622 1.831 756 H ASN 96 H ASN 96 -3.327 -8.296 0.192 757 HA ASN 96 HA ASN 96 -3.314 -10.665 1.976 758 HB2 ASN 96 HB2 ASN 96 -2.527 -11.328 -0.282 759 HB3 ASN 96 HB3 ASN 96 -1.349 -10.007 -0.263 760 HD21 ASN 96 HD21 ASN 96 0.300 -11.726 -0.615 761 HD22 ASN 96 HD22 ASN 96 0.946 -12.421 0.858 762 H VAL 97 H VAL 97 -2.680 -9.863 3.917 763 HA VAL 97 HA VAL 97 -1.719 -7.206 4.108 764 HB VAL 97 HB VAL 97 -2.176 -9.313 6.262 765 HG11 VAL 97 HG11 VAL 97 -2.620 -7.301 7.729 766 HG12 VAL 97 HG12 VAL 97 -0.930 -7.398 7.296 767 HG13 VAL 97 HG13 VAL 97 -1.979 -6.269 6.432 768 HG21 VAL 97 HG21 VAL 97 -4.102 -9.046 5.053 769 HG22 VAL 97 HG22 VAL 97 -4.276 -7.905 6.396 770 HG23 VAL 97 HG23 VAL 97 -3.866 -7.285 4.800 771 H ILE 98 H ILE 98 0.188 -8.280 2.664 772 HA ILE 98 HA ILE 98 2.521 -9.354 3.866 773 HB ILE 98 HB ILE 98 3.579 -8.615 1.784 774 HG12 ILE 98 HG12 ILE 98 1.019 -6.948 1.441 775 HG13 ILE 98 HG13 ILE 98 2.681 -6.386 1.469 776 HG21 ILE 98 HG21 ILE 98 2.343 -9.989 0.322 777 HG22 ILE 98 HG22 ILE 98 1.996 -10.603 1.946 778 HG23 ILE 98 HG23 ILE 98 0.807 -9.573 1.112 779 HD11 ILE 98 HD11 ILE 98 1.310 -7.941 -0.744 780 HD12 ILE 98 HD12 ILE 98 1.878 -6.257 -0.743 781 HD13 ILE 98 HD13 ILE 98 3.054 -7.572 -0.691 782 H GLY 99 H GLY 99 1.340 -6.056 3.714 783 HA2 GLY 99 HA2 GLY 99 3.826 -5.045 4.942 784 HA3 GLY 99 HA3 GLY 99 2.855 -4.179 3.738 785 H LYS 100 H LYS 100 3.457 -2.993 6.155 786 HA LYS 100 HA LYS 100 0.785 -2.603 7.436 787 HB2 LYS 100 HB2 LYS 100 2.471 -4.109 8.669 788 HB3 LYS 100 HB3 LYS 100 3.528 -2.762 8.752 789 HG2 LYS 100 HG2 LYS 100 2.681 -2.606 10.814 790 HG3 LYS 100 HG3 LYS 100 1.575 -1.508 9.986 791 HD2 LYS 100 HD2 LYS 100 -0.159 -3.130 9.994 792 HD3 LYS 100 HD3 LYS 100 0.988 -4.476 10.079 793 HE2 LYS 100 HE2 LYS 100 1.473 -4.039 12.416 794 HE3 LYS 100 HE3 LYS 100 0.434 -2.617 12.412 795 HZ1 LYS 100 HZ1 LYS 100 -0.430 -5.421 12.068 796 HZ2 LYS 100 HZ2 LYS 100 -1.440 -4.154 11.867 797 HZ3 LYS 100 HZ3 LYS 100 -0.783 -4.432 13.330 798 H ILE 101 H ILE 101 0.297 -0.331 7.506 799 HA ILE 101 HA ILE 101 2.293 1.691 6.797 800 HB ILE 101 HB ILE 101 -0.515 1.748 7.944 801 HG12 ILE 101 HG12 ILE 101 0.518 3.016 5.363 802 HG13 ILE 101 HG13 ILE 101 -0.035 1.357 5.431 803 HG21 ILE 101 HG21 ILE 101 -0.434 4.263 7.764 804 HG22 ILE 101 HG22 ILE 101 0.702 3.670 8.964 805 HG23 ILE 101 HG23 ILE 101 1.281 4.150 7.357 806 HD11 ILE 101 HD11 ILE 101 -1.910 2.618 4.685 807 HD12 ILE 101 HD12 ILE 101 -2.251 2.216 6.376 808 HD13 ILE 101 HD13 ILE 101 -1.695 3.847 5.939 809 H VAL 102 H VAL 102 4.019 1.566 8.193 810 HA VAL 102 HA VAL 102 3.519 1.506 11.110 811 HB VAL 102 HB VAL 102 5.882 1.905 11.465 812 HG11 VAL 102 HG11 VAL 102 5.004 -0.383 11.151 813 HG12 VAL 102 HG12 VAL 102 5.342 -0.287 9.404 814 HG13 VAL 102 HG13 VAL 102 6.684 -0.245 10.575 815 HG21 VAL 102 HG21 VAL 102 6.165 1.871 8.462 816 HG22 VAL 102 HG22 VAL 102 6.519 3.299 9.494 817 HG23 VAL 102 HG23 VAL 102 7.512 1.838 9.615 818 H GLU 103 H GLU 103 4.809 4.057 8.702 819 HA GLU 103 HA GLU 103 3.664 6.034 10.660 820 HB2 GLU 103 HB2 GLU 103 6.100 6.172 8.858 821 HB3 GLU 103 HB3 GLU 103 5.323 7.532 9.531 822 HG2 GLU 103 HG2 GLU 103 5.602 5.960 11.785 823 HG3 GLU 103 HG3 GLU 103 6.911 5.423 10.721 824 H GLY 104 H GLY 104 2.852 7.872 9.728 825 HA2 GLY 104 HA2 GLY 104 1.964 9.076 7.715 826 HA3 GLY 104 HA3 GLY 104 2.272 7.658 6.898 827 H LEU 105 H LEU 105 0.196 8.169 9.721 828 HA LEU 105 HA LEU 105 -1.946 6.755 8.193 829 HB2 LEU 105 HB2 LEU 105 -0.892 5.954 10.419 830 HB3 LEU 105 HB3 LEU 105 -1.778 7.266 11.178 831 HG LEU 105 HG LEU 105 -3.674 5.907 9.498 832 HD11 LEU 105 HD11 LEU 105 -2.375 3.993 9.237 833 HD12 LEU 105 HD12 LEU 105 -3.473 3.598 10.572 834 HD13 LEU 105 HD13 LEU 105 -1.794 4.001 10.928 835 HD21 LEU 105 HD21 LEU 105 -3.321 5.653 12.492 836 HD22 LEU 105 HD22 LEU 105 -4.791 5.351 11.534 837 HD23 LEU 105 HD23 LEU 105 -4.117 6.999 11.650 838 H GLU 106 H GLU 106 -1.193 9.793 9.658 839 HA GLU 106 HA GLU 106 -4.016 10.700 9.570 840 HB2 GLU 106 HB2 GLU 106 -1.597 12.049 10.790 841 HB3 GLU 106 HB3 GLU 106 -3.284 12.408 11.110 842 HG2 GLU 106 HG2 GLU 106 -3.584 10.281 12.279 843 HG3 GLU 106 HG3 GLU 106 -1.949 9.754 11.860 844 H ASP 107 H ASP 107 -0.788 11.285 8.235 845 HA ASP 107 HA ASP 107 -1.506 13.760 6.838 846 HB2 ASP 107 HB2 ASP 107 0.922 12.081 7.211 847 HB3 ASP 107 HB3 ASP 107 0.785 12.841 5.632 848 H LEU 108 H LEU 108 -2.233 10.472 6.180 849 HA LEU 108 HA LEU 108 -2.331 10.796 3.287 850 HB2 LEU 108 HB2 LEU 108 -3.669 8.772 5.125 851 HB3 LEU 108 HB3 LEU 108 -3.779 8.757 3.364 852 HG LEU 108 HG LEU 108 -1.245 8.443 4.969 853 HD11 LEU 108 HD11 LEU 108 -2.727 6.469 4.930 854 HD12 LEU 108 HD12 LEU 108 -1.216 6.185 4.077 855 HD13 LEU 108 HD13 LEU 108 -2.707 6.495 3.144 856 HD21 LEU 108 HD21 LEU 108 -0.564 9.593 2.986 857 HD22 LEU 108 HD22 LEU 108 -1.754 8.767 1.983 858 HD23 LEU 108 HD23 LEU 108 -0.330 7.890 2.574 859 H LYS 109 H LYS 109 -4.364 11.884 5.869 860 HA LYS 109 HA LYS 109 -6.873 11.827 4.521 861 HB2 LYS 109 HB2 LYS 109 -5.876 13.759 6.642 862 HB3 LYS 109 HB3 LYS 109 -7.561 13.401 6.297 863 HG2 LYS 109 HG2 LYS 109 -5.636 11.260 7.295 864 HG3 LYS 109 HG3 LYS 109 -6.383 12.410 8.392 865 HD2 LYS 109 HD2 LYS 109 -8.610 11.548 7.821 866 HD3 LYS 109 HD3 LYS 109 -7.863 10.413 6.652 867 HE2 LYS 109 HE2 LYS 109 -6.456 9.491 8.502 868 HE3 LYS 109 HE3 LYS 109 -7.247 10.575 9.651 869 HZ1 LYS 109 HZ1 LYS 109 -8.718 8.539 8.096 870 HZ2 LYS 109 HZ2 LYS 109 -9.272 9.363 9.397 871 HZ3 LYS 109 HZ3 LYS 109 -8.075 8.260 9.576 872 H LYS 110 H LYS 110 -4.175 14.055 4.433 873 HA LYS 110 HA LYS 110 -5.584 16.226 3.007 874 HB2 LYS 110 HB2 LYS 110 -3.524 17.489 3.562 875 HB3 LYS 110 HB3 LYS 110 -4.387 16.872 4.970 876 HG2 LYS 110 HG2 LYS 110 -2.793 15.190 5.410 877 HG3 LYS 110 HG3 LYS 110 -2.219 15.197 3.728 878 HD2 LYS 110 HD2 LYS 110 -0.504 16.043 5.039 879 HD3 LYS 110 HD3 LYS 110 -1.168 17.308 4.024 880 HE2 LYS 110 HE2 LYS 110 -1.931 16.991 6.959 881 HE3 LYS 110 HE3 LYS 110 -0.471 17.819 6.431 882 HZ1 LYS 110 HZ1 LYS 110 -2.019 19.476 6.683 883 HZ2 LYS 110 HZ2 LYS 110 -3.235 18.700 5.897 884 HZ3 LYS 110 HZ3 LYS 110 -1.949 19.281 5.063 885 H ILE 111 H ILE 111 -4.394 13.531 1.726 886 HA ILE 111 HA ILE 111 -2.533 14.720 -0.218 887 HB ILE 111 HB ILE 111 -3.685 11.939 0.206 888 HG12 ILE 111 HG12 ILE 111 -2.274 12.542 2.048 889 HG13 ILE 111 HG13 ILE 111 -1.470 11.327 1.084 890 HG21 ILE 111 HG21 ILE 111 -1.787 11.104 -1.168 891 HG22 ILE 111 HG22 ILE 111 -3.035 11.950 -2.067 892 HG23 ILE 111 HG23 ILE 111 -1.490 12.768 -1.715 893 HD11 ILE 111 HD11 ILE 111 0.151 12.936 1.826 894 HD12 ILE 111 HD12 ILE 111 -0.041 13.174 0.080 895 HD13 ILE 111 HD13 ILE 111 -0.815 14.291 1.238 896 H LYS 112 H LYS 112 -2.997 14.614 -2.626 897 HA LYS 112 HA LYS 112 -5.856 14.883 -3.326 898 HB2 LYS 112 HB2 LYS 112 -3.345 15.720 -4.802 899 HB3 LYS 112 HB3 LYS 112 -4.962 16.059 -5.314 900 HG2 LYS 112 HG2 LYS 112 -4.313 17.009 -2.540 901 HG3 LYS 112 HG3 LYS 112 -3.405 17.741 -3.840 902 HD2 LYS 112 HD2 LYS 112 -5.333 18.999 -3.260 903 HD3 LYS 112 HD3 LYS 112 -5.399 18.448 -4.940 904 HE2 LYS 112 HE2 LYS 112 -6.970 17.080 -2.725 905 HE3 LYS 112 HE3 LYS 112 -7.556 18.513 -3.561 906 HZ1 LYS 112 HZ1 LYS 112 -7.268 15.855 -4.691 907 HZ2 LYS 112 HZ2 LYS 112 -7.162 17.161 -5.693 908 HZ3 LYS 112 HZ3 LYS 112 -8.477 16.900 -4.760 909 H ASP 113 H ASP 113 -6.127 14.206 -5.744 910 HA ASP 113 HA ASP 113 -5.586 11.440 -6.113 911 HB2 ASP 113 HB2 ASP 113 -7.642 12.803 -6.762 912 HB3 ASP 113 HB3 ASP 113 -6.692 13.430 -8.096 913 H GLY 114 H GLY 114 -3.153 13.410 -6.186 914 HA2 GLY 114 HA2 GLY 114 -1.668 11.872 -7.880 915 HA3 GLY 114 HA3 GLY 114 -2.093 13.232 -8.897 916 H GLU 115 H GLU 115 -0.832 12.637 -5.588 917 HA GLU 115 HA GLU 115 0.913 15.025 -5.759 918 HB2 GLU 115 HB2 GLU 115 0.287 13.099 -3.488 919 HB3 GLU 115 HB3 GLU 115 1.296 14.525 -3.355 920 HG2 GLU 115 HG2 GLU 115 -1.666 14.485 -4.007 921 HG3 GLU 115 HG3 GLU 115 -0.938 14.930 -2.479 922 H LYS 116 H LYS 116 1.378 12.598 -7.283 923 HA LYS 116 HA LYS 116 2.984 11.116 -7.995 924 HB2 LYS 116 HB2 LYS 116 3.896 13.921 -7.907 925 HB3 LYS 116 HB3 LYS 116 5.238 12.784 -8.089 926 HG2 LYS 116 HG2 LYS 116 4.182 11.718 -9.987 927 HG3 LYS 116 HG3 LYS 116 2.756 12.754 -9.809 928 HD2 LYS 116 HD2 LYS 116 4.052 14.749 -10.317 929 HD3 LYS 116 HD3 LYS 116 5.562 13.807 -10.395 930 HE2 LYS 116 HE2 LYS 116 4.823 12.576 -12.314 931 HE3 LYS 116 HE3 LYS 116 3.166 13.128 -12.098 932 HZ1 LYS 116 HZ1 LYS 116 3.947 15.393 -12.646 933 HZ2 LYS 116 HZ2 LYS 116 4.094 14.315 -13.881 934 HZ3 LYS 116 HZ3 LYS 116 5.422 14.772 -13.031 935 H VAL 117 H VAL 117 2.964 9.638 -6.291 936 HA VAL 117 HA VAL 117 4.493 10.085 -3.900 937 HB VAL 117 HB VAL 117 2.507 8.846 -3.768 938 HG11 VAL 117 HG11 VAL 117 2.463 7.748 -6.046 939 HG12 VAL 117 HG12 VAL 117 3.587 6.535 -5.401 940 HG13 VAL 117 HG13 VAL 117 1.982 6.732 -4.692 941 HG21 VAL 117 HG21 VAL 117 3.165 6.897 -2.504 942 HG22 VAL 117 HG22 VAL 117 4.826 7.039 -3.126 943 HG23 VAL 117 HG23 VAL 117 4.116 8.339 -2.127 944 H ALA 118 H ALA 118 6.657 9.729 -3.713 945 HA ALA 118 HA ALA 118 8.065 7.989 -5.695 946 HB1 ALA 118 HB1 ALA 118 9.187 9.832 -3.546 947 HB2 ALA 118 HB2 ALA 118 10.133 8.890 -4.729 948 HB3 ALA 118 HB3 ALA 118 9.086 10.208 -5.281 949 H VAL 119 H VAL 119 7.793 5.977 -5.100 950 HA VAL 119 HA VAL 119 7.661 4.959 -2.351 951 HB VAL 119 HB VAL 119 7.807 3.698 -5.136 952 HG11 VAL 119 HG11 VAL 119 7.227 1.586 -3.977 953 HG12 VAL 119 HG12 VAL 119 8.859 2.166 -3.633 954 HG13 VAL 119 HG13 VAL 119 7.547 2.386 -2.427 955 HG21 VAL 119 HG21 VAL 119 5.446 3.238 -3.354 956 HG22 VAL 119 HG22 VAL 119 5.552 4.816 -4.157 957 HG23 VAL 119 HG23 VAL 119 5.551 3.327 -5.097 958 H ARG 120 H ARG 120 9.582 4.614 -1.270 959 HA ARG 120 HA ARG 120 12.101 4.045 -2.751 960 HB2 ARG 120 HB2 ARG 120 12.203 5.843 -0.366 961 HB3 ARG 120 HB3 ARG 120 13.330 5.660 -1.700 962 HG2 ARG 120 HG2 ARG 120 11.480 6.710 -3.189 963 HG3 ARG 120 HG3 ARG 120 10.667 7.108 -1.651 964 HD2 ARG 120 HD2 ARG 120 12.838 8.239 -0.974 965 HD3 ARG 120 HD3 ARG 120 13.358 8.019 -2.669 966 HE ARG 120 HE ARG 120 10.753 9.267 -2.406 967 HH11 ARG 120 HH11 ARG 120 14.230 10.040 -2.800 968 HH12 ARG 120 HH12 ARG 120 13.988 11.695 -2.457 969 HH21 ARG 120 HH21 ARG 120 10.525 11.629 -2.603 970 HH22 ARG 120 HH22 ARG 120 11.960 12.579 -2.581 971 H PHE 121 H PHE 121 13.836 3.461 -0.712 972 HA PHE 121 HA PHE 121 12.608 0.997 0.220 973 HB2 PHE 121 HB2 PHE 121 15.376 2.093 -0.190 974 HB3 PHE 121 HB3 PHE 121 15.156 0.826 0.983 975 HD1 PHE 121 HD1 PHE 121 13.355 -0.973 0.156 976 HD2 PHE 121 HD2 PHE 121 16.064 1.245 -2.276 977 HE1 PHE 121 HE1 PHE 121 13.368 -2.866 -1.517 978 HE2 PHE 121 HE2 PHE 121 16.092 -0.582 -3.986 979 HZ PHE 121 HZ PHE 121 14.770 -2.644 -3.594 980 H ALA 122 H ALA 122 12.609 3.474 1.576 981 HA ALA 122 HA ALA 122 12.305 4.593 3.828 982 HB1 ALA 122 HB1 ALA 122 11.715 3.447 5.665 983 HB2 ALA 122 HB2 ALA 122 10.928 2.663 4.271 984 HB3 ALA 122 HB3 ALA 122 12.385 1.931 5.053 985 H SER 123 H SER 123 14.165 5.772 4.051 986 HA SER 123 HA SER 123 16.663 4.491 4.687 987 HB2 SER 123 HB2 SER 123 16.184 6.947 3.843 988 HB3 SER 123 HB3 SER 123 16.114 7.302 5.578 989 HG SER 123 HG SER 123 18.317 6.116 4.162 990 H SER 124 H SER 124 13.976 5.134 6.473 991 HA SER 124 HA SER 124 13.144 4.605 8.470 992 HB2 SER 124 HB2 SER 124 14.656 2.460 8.077 993 HB3 SER 124 HB3 SER 124 15.593 3.127 9.419 994 HG SER 124 HG SER 124 13.584 3.202 10.621 Start of MODEL 19 1 H1 MET 1 H1 MET 1 13.699 -5.699 5.331 2 HA MET 1 HA MET 1 13.608 -3.816 3.884 3 HB2 MET 1 HB2 MET 1 13.306 -5.932 2.783 4 HB3 MET 1 HB3 MET 1 11.571 -5.944 3.114 5 HG2 MET 1 HG2 MET 1 11.102 -4.295 1.549 6 HG3 MET 1 HG3 MET 1 12.728 -3.612 1.592 7 HE1 MET 1 HE1 MET 1 14.910 -5.818 -0.543 8 HE2 MET 1 HE2 MET 1 14.685 -4.242 0.232 9 HE3 MET 1 HE3 MET 1 14.764 -5.723 1.205 10 H ARG 2 H ARG 2 12.961 -1.845 4.452 11 HA ARG 2 HA ARG 2 10.081 -1.381 4.974 12 HB2 ARG 2 HB2 ARG 2 12.655 0.044 5.612 13 HB3 ARG 2 HB3 ARG 2 11.238 1.058 5.240 14 HG2 ARG 2 HG2 ARG 2 9.869 -0.083 6.852 15 HG3 ARG 2 HG3 ARG 2 11.209 -1.170 7.283 16 HD2 ARG 2 HD2 ARG 2 12.476 0.607 8.217 17 HD3 ARG 2 HD3 ARG 2 11.367 1.849 7.574 18 HE ARG 2 HE ARG 2 9.944 -0.053 9.085 19 HH11 ARG 2 HH11 ARG 2 12.486 2.235 9.829 20 HH12 ARG 2 HH12 ARG 2 11.746 2.896 11.252 21 HH21 ARG 2 HH21 ARG 2 9.074 0.563 11.225 22 HH22 ARG 2 HH22 ARG 2 9.745 1.930 12.035 23 H VAL 3 H VAL 3 9.316 0.758 3.960 24 HA VAL 3 HA VAL 3 10.516 1.468 1.499 25 HB VAL 3 HB VAL 3 7.715 0.276 1.546 26 HG11 VAL 3 HG11 VAL 3 8.924 1.635 -0.873 27 HG12 VAL 3 HG12 VAL 3 7.315 0.913 -0.705 28 HG13 VAL 3 HG13 VAL 3 7.712 2.386 0.177 29 HG21 VAL 3 HG21 VAL 3 9.355 -1.450 1.120 30 HG22 VAL 3 HG22 VAL 3 8.689 -1.031 -0.454 31 HG23 VAL 3 HG23 VAL 3 10.272 -0.360 0.038 32 H GLU 4 H GLU 4 10.021 3.687 1.104 33 HA GLU 4 HA GLU 4 8.376 5.143 3.137 34 HB2 GLU 4 HB2 GLU 4 10.703 5.303 3.686 35 HB3 GLU 4 HB3 GLU 4 11.164 5.579 1.999 36 HG2 GLU 4 HG2 GLU 4 10.098 7.794 2.065 37 HG3 GLU 4 HG3 GLU 4 9.557 7.489 3.729 38 H LEU 5 H LEU 5 6.931 6.482 2.240 39 HA LEU 5 HA LEU 5 6.895 6.917 -0.698 40 HB2 LEU 5 HB2 LEU 5 4.724 6.731 1.432 41 HB3 LEU 5 HB3 LEU 5 4.436 7.283 -0.195 42 HG LEU 5 HG LEU 5 5.204 5.062 -1.052 43 HD11 LEU 5 HD11 LEU 5 5.041 3.119 0.576 44 HD12 LEU 5 HD12 LEU 5 5.210 4.321 1.885 45 HD13 LEU 5 HD13 LEU 5 6.493 4.099 0.679 46 HD21 LEU 5 HD21 LEU 5 2.804 5.596 -0.823 47 HD22 LEU 5 HD22 LEU 5 2.838 5.113 0.874 48 HD23 LEU 5 HD23 LEU 5 3.070 3.901 -0.389 49 H LEU 6 H LEU 6 7.791 8.856 -0.979 50 HA LEU 6 HA LEU 6 7.026 11.134 0.797 51 HB2 LEU 6 HB2 LEU 6 9.299 10.468 -0.996 52 HB3 LEU 6 HB3 LEU 6 8.644 12.057 -1.314 53 HG LEU 6 HG LEU 6 9.151 11.216 1.558 54 HD11 LEU 6 HD11 LEU 6 11.285 12.283 -0.337 55 HD12 LEU 6 HD12 LEU 6 11.237 10.667 0.403 56 HD13 LEU 6 HD13 LEU 6 11.446 12.087 1.432 57 HD21 LEU 6 HD21 LEU 6 9.556 13.643 1.852 58 HD22 LEU 6 HD22 LEU 6 7.966 13.355 1.107 59 HD23 LEU 6 HD23 LEU 6 9.321 13.899 0.115 60 H PHE 7 H PHE 7 5.505 12.596 0.070 61 HA PHE 7 HA PHE 7 4.507 12.364 -2.742 62 HB2 PHE 7 HB2 PHE 7 2.885 13.206 -0.347 63 HB3 PHE 7 HB3 PHE 7 2.293 12.810 -1.937 64 HD1 PHE 7 HD1 PHE 7 3.320 11.530 1.332 65 HD2 PHE 7 HD2 PHE 7 1.957 10.455 -2.575 66 HE1 PHE 7 HE1 PHE 7 2.626 9.351 2.227 67 HE2 PHE 7 HE2 PHE 7 1.200 8.259 -1.733 68 HZ PHE 7 HZ PHE 7 1.541 7.672 0.698 69 H GLU 8 H GLU 8 3.400 14.424 -3.429 70 HA GLU 8 HA GLU 8 4.991 16.694 -3.084 71 HB2 GLU 8 HB2 GLU 8 2.112 16.416 -4.008 72 HB3 GLU 8 HB3 GLU 8 2.959 17.929 -4.006 73 HG2 GLU 8 HG2 GLU 8 4.619 15.875 -5.290 74 HG3 GLU 8 HG3 GLU 8 3.044 15.850 -6.042 75 H SER 9 H SER 9 2.277 15.717 -1.001 76 HA SER 9 HA SER 9 2.490 18.313 0.466 77 HB2 SER 9 HB2 SER 9 0.207 16.345 0.147 78 HB3 SER 9 HB3 SER 9 0.189 17.595 1.383 79 HG SER 9 HG SER 9 -0.724 18.236 -0.632 80 H GLY 10 H GLY 10 3.779 15.222 0.922 81 HA2 GLY 10 HA2 GLY 10 4.754 15.547 3.410 82 HA3 GLY 10 HA3 GLY 10 3.158 14.938 3.784 83 H LYS 11 H LYS 11 3.826 12.745 4.496 84 HA LYS 11 HA LYS 11 4.911 10.987 2.485 85 HB2 LYS 11 HB2 LYS 11 7.099 10.622 3.497 86 HB3 LYS 11 HB3 LYS 11 6.881 12.233 2.844 87 HG2 LYS 11 HG2 LYS 11 6.228 12.821 5.389 88 HG3 LYS 11 HG3 LYS 11 7.117 11.348 5.718 89 HD2 LYS 11 HD2 LYS 11 9.101 12.325 5.368 90 HD3 LYS 11 HD3 LYS 11 8.640 13.027 3.847 91 HE2 LYS 11 HE2 LYS 11 8.304 14.195 6.618 92 HE3 LYS 11 HE3 LYS 11 9.367 14.756 5.326 93 HZ1 LYS 11 HZ1 LYS 11 7.339 15.383 4.074 94 HZ2 LYS 11 HZ2 LYS 11 7.448 16.143 5.511 95 HZ3 LYS 11 HZ3 LYS 11 6.420 14.924 5.399 96 H CYS 12 H CYS 12 5.362 8.882 3.303 97 HA CYS 12 HA CYS 12 4.684 8.327 6.073 98 HB2 CYS 12 HB2 CYS 12 2.922 6.746 5.735 99 HB3 CYS 12 HB3 CYS 12 2.481 8.161 4.829 100 HG CYS 12 HG CYS 12 3.701 5.255 3.906 101 H VAL 13 H VAL 13 4.896 5.826 6.381 102 HA VAL 13 HA VAL 13 7.100 4.690 4.768 103 HB VAL 13 HB VAL 13 7.253 4.820 7.803 104 HG11 VAL 13 HG11 VAL 13 9.532 3.962 7.504 105 HG12 VAL 13 HG12 VAL 13 8.357 2.856 6.790 106 HG13 VAL 13 HG13 VAL 13 9.304 3.926 5.736 107 HG21 VAL 13 HG21 VAL 13 9.191 6.349 7.540 108 HG22 VAL 13 HG22 VAL 13 8.839 6.480 5.799 109 HG23 VAL 13 HG23 VAL 13 7.689 7.093 7.006 110 H ILE 14 H ILE 14 6.704 2.576 4.409 111 HA ILE 14 HA ILE 14 4.688 1.237 6.073 112 HB ILE 14 HB ILE 14 3.761 0.168 4.191 113 HG12 ILE 14 HG12 ILE 14 5.756 1.570 2.363 114 HG13 ILE 14 HG13 ILE 14 5.798 -0.120 2.831 115 HG21 ILE 14 HG21 ILE 14 2.633 2.010 3.078 116 HG22 ILE 14 HG22 ILE 14 2.986 2.523 4.725 117 HG23 ILE 14 HG23 ILE 14 3.992 3.109 3.390 118 HD11 ILE 14 HD11 ILE 14 3.584 -0.493 1.755 119 HD12 ILE 14 HD12 ILE 14 3.619 1.186 1.166 120 HD13 ILE 14 HD13 ILE 14 4.850 0.036 0.627 121 H ASP 15 H ASP 15 5.226 -0.925 6.538 122 HA ASP 15 HA ASP 15 8.102 -1.659 5.931 123 HB2 ASP 15 HB2 ASP 15 7.161 -1.045 8.299 124 HB3 ASP 15 HB3 ASP 15 6.607 -2.747 8.256 125 H LEU 16 H LEU 16 8.477 -3.496 4.767 126 HA LEU 16 HA LEU 16 6.314 -5.519 4.570 127 HB2 LEU 16 HB2 LEU 16 8.338 -4.456 2.619 128 HB3 LEU 16 HB3 LEU 16 7.406 -5.910 2.283 129 HG LEU 16 HG LEU 16 6.041 -3.263 2.894 130 HD11 LEU 16 HD11 LEU 16 6.808 -4.335 0.151 131 HD12 LEU 16 HD12 LEU 16 7.553 -2.941 0.936 132 HD13 LEU 16 HD13 LEU 16 5.851 -2.864 0.491 133 HD21 LEU 16 HD21 LEU 16 4.160 -4.234 1.836 134 HD22 LEU 16 HD22 LEU 16 4.807 -5.387 3.026 135 HD23 LEU 16 HD23 LEU 16 5.083 -5.656 1.305 136 H ASN 17 H ASN 17 7.115 -7.598 3.776 137 HA ASN 17 HA ASN 17 9.328 -8.624 5.493 138 HB2 ASN 17 HB2 ASN 17 6.880 -8.937 6.296 139 HB3 ASN 17 HB3 ASN 17 6.746 -10.095 4.978 140 HD21 ASN 17 HD21 ASN 17 7.126 -12.203 5.712 141 HD22 ASN 17 HD22 ASN 17 8.197 -12.612 7.002 142 H GLU 18 H GLU 18 10.860 -9.551 4.311 143 HA GLU 18 HA GLU 18 10.604 -10.122 1.515 144 HB2 GLU 18 HB2 GLU 18 12.848 -10.526 3.544 145 HB3 GLU 18 HB3 GLU 18 13.001 -10.859 1.827 146 HG2 GLU 18 HG2 GLU 18 12.180 -8.388 1.489 147 HG3 GLU 18 HG3 GLU 18 12.647 -8.192 3.178 148 H GLU 19 H GLU 19 8.731 -11.730 2.532 149 HA GLU 19 HA GLU 19 9.803 -14.438 1.858 150 HB2 GLU 19 HB2 GLU 19 7.730 -13.748 3.986 151 HB3 GLU 19 HB3 GLU 19 8.018 -15.365 3.324 152 HG2 GLU 19 HG2 GLU 19 10.511 -14.951 3.930 153 HG3 GLU 19 HG3 GLU 19 9.910 -13.648 4.954 154 H TYR 20 H TYR 20 7.147 -12.066 1.718 155 HA TYR 20 HA TYR 20 5.451 -13.800 0.157 156 HB2 TYR 20 HB2 TYR 20 5.385 -10.784 0.430 157 HB3 TYR 20 HB3 TYR 20 4.072 -11.810 -0.094 158 HD1 TYR 20 HD1 TYR 20 3.710 -13.899 1.861 159 HD2 TYR 20 HD2 TYR 20 5.103 -9.896 2.489 160 HE1 TYR 20 HE1 TYR 20 2.729 -13.937 4.134 161 HE2 TYR 20 HE2 TYR 20 4.167 -9.928 4.815 162 HH TYR 20 HH TYR 20 2.636 -10.996 6.183 163 H GLU 21 H GLU 21 4.957 -13.593 -2.031 164 HA GLU 21 HA GLU 21 7.114 -13.468 -3.786 165 HB2 GLU 21 HB2 GLU 21 4.797 -14.550 -4.140 166 HB3 GLU 21 HB3 GLU 21 4.190 -12.948 -4.522 167 HG2 GLU 21 HG2 GLU 21 4.748 -13.714 -6.686 168 HG3 GLU 21 HG3 GLU 21 6.122 -12.793 -6.251 169 H VAL 22 H VAL 22 4.588 -11.083 -3.083 170 HA VAL 22 HA VAL 22 5.180 -9.267 -5.141 171 HB VAL 22 HB VAL 22 4.354 -8.131 -2.503 172 HG11 VAL 22 HG11 VAL 22 4.282 -6.817 -4.579 173 HG12 VAL 22 HG12 VAL 22 2.999 -7.876 -5.183 174 HG13 VAL 22 HG13 VAL 22 2.729 -6.899 -3.727 175 HG21 VAL 22 HG21 VAL 22 2.008 -9.021 -2.679 176 HG22 VAL 22 HG22 VAL 22 2.748 -10.420 -3.474 177 HG23 VAL 22 HG23 VAL 22 3.319 -9.907 -1.870 178 H VAL 23 H VAL 23 6.596 -9.673 -1.870 179 HA VAL 23 HA VAL 23 7.640 -7.055 -1.887 180 HB VAL 23 HB VAL 23 8.280 -9.422 -0.085 181 HG11 VAL 23 HG11 VAL 23 8.975 -6.467 0.281 182 HG12 VAL 23 HG12 VAL 23 9.187 -7.738 1.505 183 HG13 VAL 23 HG13 VAL 23 10.142 -7.784 0.023 184 HG21 VAL 23 HG21 VAL 23 6.783 -8.181 1.489 185 HG22 VAL 23 HG22 VAL 23 6.485 -6.975 0.214 186 HG23 VAL 23 HG23 VAL 23 5.921 -8.636 0.020 187 H LYS 24 H LYS 24 8.983 -10.350 -2.418 188 HA LYS 24 HA LYS 24 11.655 -9.776 -3.074 189 HB2 LYS 24 HB2 LYS 24 9.771 -11.802 -4.362 190 HB3 LYS 24 HB3 LYS 24 11.528 -11.857 -4.398 191 HG2 LYS 24 HG2 LYS 24 11.687 -12.405 -2.103 192 HG3 LYS 24 HG3 LYS 24 10.019 -11.962 -1.750 193 HD2 LYS 24 HD2 LYS 24 9.200 -13.777 -3.181 194 HD3 LYS 24 HD3 LYS 24 10.843 -14.275 -3.551 195 HE2 LYS 24 HE2 LYS 24 9.681 -14.199 -0.737 196 HE3 LYS 24 HE3 LYS 24 9.563 -15.610 -1.795 197 HZ1 LYS 24 HZ1 LYS 24 11.376 -15.928 -0.381 198 HZ2 LYS 24 HZ2 LYS 24 12.057 -14.465 -0.719 199 HZ3 LYS 24 HZ3 LYS 24 12.022 -15.640 -1.853 200 H LEU 25 H LEU 25 8.712 -9.661 -5.108 201 HA LEU 25 HA LEU 25 10.194 -8.993 -7.533 202 HB2 LEU 25 HB2 LEU 25 7.229 -9.096 -6.741 203 HB3 LEU 25 HB3 LEU 25 7.758 -8.545 -8.323 204 HG LEU 25 HG LEU 25 8.135 -11.383 -7.173 205 HD11 LEU 25 HD11 LEU 25 5.964 -11.235 -7.833 206 HD12 LEU 25 HD12 LEU 25 6.748 -11.933 -9.230 207 HD13 LEU 25 HD13 LEU 25 6.303 -10.211 -9.250 208 HD21 LEU 25 HD21 LEU 25 9.046 -10.067 -9.792 209 HD22 LEU 25 HD22 LEU 25 8.992 -11.833 -9.524 210 HD23 LEU 25 HD23 LEU 25 10.067 -10.843 -8.557 211 H LEU 26 H LEU 26 8.472 -7.169 -5.048 212 HA LEU 26 HA LEU 26 8.384 -4.663 -6.344 213 HB2 LEU 26 HB2 LEU 26 8.028 -5.712 -3.622 214 HB3 LEU 26 HB3 LEU 26 9.019 -4.324 -3.546 215 HG LEU 26 HG LEU 26 6.181 -4.537 -4.560 216 HD11 LEU 26 HD11 LEU 26 7.399 -2.717 -2.443 217 HD12 LEU 26 HD12 LEU 26 6.832 -4.351 -2.104 218 HD13 LEU 26 HD13 LEU 26 5.699 -3.136 -2.697 219 HD21 LEU 26 HD21 LEU 26 8.021 -2.128 -4.827 220 HD22 LEU 26 HD22 LEU 26 6.253 -2.043 -4.958 221 HD23 LEU 26 HD23 LEU 26 7.181 -2.951 -6.147 222 H LYS 27 H LYS 27 10.910 -6.295 -4.450 223 HA LYS 27 HA LYS 27 12.623 -4.176 -3.976 224 HB2 LYS 27 HB2 LYS 27 12.731 -6.603 -3.168 225 HB3 LYS 27 HB3 LYS 27 13.436 -6.995 -4.742 226 HG2 LYS 27 HG2 LYS 27 15.181 -5.167 -4.207 227 HG3 LYS 27 HG3 LYS 27 14.583 -5.234 -2.562 228 HD2 LYS 27 HD2 LYS 27 15.782 -7.511 -4.197 229 HD3 LYS 27 HD3 LYS 27 16.566 -6.644 -2.875 230 HE2 LYS 27 HE2 LYS 27 14.524 -7.476 -1.450 231 HE3 LYS 27 HE3 LYS 27 14.275 -8.638 -2.765 232 HZ1 LYS 27 HZ1 LYS 27 15.686 -9.437 -0.898 233 HZ2 LYS 27 HZ2 LYS 27 16.767 -8.302 -1.216 234 HZ3 LYS 27 HZ3 LYS 27 16.532 -9.469 -2.348 235 H GLU 28 H GLU 28 12.276 -6.150 -6.926 236 HA GLU 28 HA GLU 28 14.536 -5.145 -8.356 237 HB2 GLU 28 HB2 GLU 28 11.904 -6.221 -9.469 238 HB3 GLU 28 HB3 GLU 28 13.423 -6.060 -10.326 239 HG2 GLU 28 HG2 GLU 28 14.192 -7.567 -8.112 240 HG3 GLU 28 HG3 GLU 28 12.529 -8.057 -8.262 241 H LYS 29 H LYS 29 11.488 -3.702 -7.595 242 HA LYS 29 HA LYS 29 11.686 -1.767 -9.832 243 HB2 LYS 29 HB2 LYS 29 9.302 -2.714 -8.191 244 HB3 LYS 29 HB3 LYS 29 9.263 -1.480 -9.447 245 HG2 LYS 29 HG2 LYS 29 9.920 -4.435 -9.863 246 HG3 LYS 29 HG3 LYS 29 8.449 -3.586 -10.333 247 HD2 LYS 29 HD2 LYS 29 10.299 -2.033 -11.601 248 HD3 LYS 29 HD3 LYS 29 11.166 -3.562 -11.616 249 HE2 LYS 29 HE2 LYS 29 9.501 -4.634 -12.929 250 HE3 LYS 29 HE3 LYS 29 8.262 -3.459 -12.481 251 HZ1 LYS 29 HZ1 LYS 29 10.538 -2.958 -14.301 252 HZ2 LYS 29 HZ2 LYS 29 9.535 -1.777 -13.767 253 HZ3 LYS 29 HZ3 LYS 29 8.954 -2.984 -14.700 254 H ILE 30 H ILE 30 12.511 -1.794 -6.560 255 HA ILE 30 HA ILE 30 11.477 0.964 -6.144 256 HB ILE 30 HB ILE 30 12.681 -1.074 -4.277 257 HG12 ILE 30 HG12 ILE 30 9.919 0.198 -4.085 258 HG13 ILE 30 HG13 ILE 30 10.184 -1.197 -5.106 259 HG21 ILE 30 HG21 ILE 30 13.336 1.259 -3.539 260 HG22 ILE 30 HG22 ILE 30 11.604 1.676 -3.481 261 HG23 ILE 30 HG23 ILE 30 12.276 0.449 -2.406 262 HD11 ILE 30 HD11 ILE 30 10.775 -1.127 -2.119 263 HD12 ILE 30 HD12 ILE 30 9.378 -1.866 -2.893 264 HD13 ILE 30 HD13 ILE 30 10.997 -2.519 -3.197 265 HA PRO 31 HA PRO 31 11.958 2.861 -5.248 266 HB2 PRO 31 HB2 PRO 31 12.814 5.333 -6.147 267 HB3 PRO 31 HB3 PRO 31 13.161 4.644 -4.543 268 HG2 PRO 31 HG2 PRO 31 14.955 4.777 -6.918 269 HG3 PRO 31 HG3 PRO 31 15.328 4.914 -5.162 270 HD2 PRO 31 HD2 PRO 31 15.751 2.588 -6.655 271 HD3 PRO 31 HD3 PRO 31 15.433 2.602 -4.905 272 H PHE 32 H PHE 32 10.347 4.151 -6.354 273 HA PHE 32 HA PHE 32 10.459 4.518 -9.161 274 HB2 PHE 32 HB2 PHE 32 8.442 3.374 -9.810 275 HB3 PHE 32 HB3 PHE 32 9.663 2.254 -9.282 276 HD1 PHE 32 HD1 PHE 32 9.462 1.363 -6.823 277 HD2 PHE 32 HD2 PHE 32 6.224 3.220 -8.943 278 HE1 PHE 32 HE1 PHE 32 7.855 0.035 -5.499 279 HE2 PHE 32 HE2 PHE 32 4.616 1.974 -7.521 280 HZ PHE 32 HZ PHE 32 5.400 0.306 -5.880 281 H GLU 33 H GLU 33 8.275 5.652 -9.859 282 HA GLU 33 HA GLU 33 7.014 6.993 -7.549 283 HB2 GLU 33 HB2 GLU 33 7.520 8.216 -10.251 284 HB3 GLU 33 HB3 GLU 33 6.645 8.995 -8.937 285 HG2 GLU 33 HG2 GLU 33 8.788 9.074 -7.649 286 HG3 GLU 33 HG3 GLU 33 9.625 8.455 -9.089 287 H SER 34 H SER 34 4.791 7.821 -8.177 288 HA SER 34 HA SER 34 3.563 6.949 -10.608 289 HB2 SER 34 HB2 SER 34 3.885 4.872 -8.833 290 HB3 SER 34 HB3 SER 34 2.318 5.486 -8.355 291 HG SER 34 HG SER 34 3.140 4.760 -11.001 292 H VAL 35 H VAL 35 1.031 6.988 -10.257 293 HA VAL 35 HA VAL 35 0.379 9.632 -9.188 294 HB VAL 35 HB VAL 35 -1.370 7.557 -10.584 295 HG11 VAL 35 HG11 VAL 35 -1.787 10.566 -10.273 296 HG12 VAL 35 HG12 VAL 35 -2.824 9.431 -11.168 297 HG13 VAL 35 HG13 VAL 35 -2.710 9.301 -9.425 298 HG21 VAL 35 HG21 VAL 35 -0.934 9.053 -12.610 299 HG22 VAL 35 HG22 VAL 35 0.367 9.815 -11.637 300 HG23 VAL 35 HG23 VAL 35 0.428 8.084 -12.039 301 H VAL 36 H VAL 36 -0.913 10.020 -7.474 302 HA VAL 36 HA VAL 36 -1.410 7.780 -5.632 303 HB VAL 36 HB VAL 36 -1.653 10.784 -5.114 304 HG11 VAL 36 HG11 VAL 36 -1.105 8.442 -3.321 305 HG12 VAL 36 HG12 VAL 36 -1.276 10.104 -2.799 306 HG13 VAL 36 HG13 VAL 36 -2.695 9.292 -3.465 307 HG21 VAL 36 HG21 VAL 36 0.777 9.065 -4.600 308 HG22 VAL 36 HG22 VAL 36 0.702 10.290 -5.885 309 HG23 VAL 36 HG23 VAL 36 0.579 10.788 -4.200 310 H ASN 37 H ASN 37 -3.256 7.006 -7.032 311 HA ASN 37 HA ASN 37 -5.616 8.786 -7.241 312 HB2 ASN 37 HB2 ASN 37 -5.376 5.783 -7.640 313 HB3 ASN 37 HB3 ASN 37 -6.814 6.746 -7.940 314 HD21 ASN 37 HD21 ASN 37 -3.908 5.560 -9.367 315 HD22 ASN 37 HD22 ASN 37 -4.250 6.309 -10.906 316 H THR 38 H THR 38 -7.487 8.568 -5.902 317 HA THR 38 HA THR 38 -7.079 6.982 -3.397 318 HB THR 38 HB THR 38 -8.208 8.751 -2.225 319 HG1 THR 38 HG1 THR 38 -8.444 9.950 -4.781 320 HG21 THR 38 HG21 THR 38 -6.131 10.096 -3.997 321 HG22 THR 38 HG22 THR 38 -5.730 9.023 -2.651 322 HG23 THR 38 HG23 THR 38 -6.577 10.556 -2.350 323 H TRP 39 H TRP 39 -8.982 5.996 -2.425 324 HA TRP 39 HA TRP 39 -11.504 5.973 -3.949 325 HB2 TRP 39 HB2 TRP 39 -10.101 4.401 -5.191 326 HB3 TRP 39 HB3 TRP 39 -9.671 3.561 -3.703 327 HD1 TRP 39 HD1 TRP 39 -12.684 4.171 -6.022 328 HE1 TRP 39 HE1 TRP 39 -14.292 2.184 -5.867 329 HE3 TRP 39 HE3 TRP 39 -10.269 1.498 -2.427 330 HZ2 TRP 39 HZ2 TRP 39 -14.486 -0.294 -4.366 331 HZ3 TRP 39 HZ3 TRP 39 -11.163 -0.691 -1.651 332 HH2 TRP 39 HH2 TRP 39 -13.233 -1.590 -2.617 333 H GLY 40 H GLY 40 -12.205 6.907 -1.757 334 HA2 GLY 40 HA2 GLY 40 -13.530 6.313 0.064 335 HA3 GLY 40 HA3 GLY 40 -12.968 4.647 -0.077 336 H GLU 41 H GLU 41 -11.459 7.753 0.548 337 HA GLU 41 HA GLU 41 -9.782 8.423 1.954 338 HB2 GLU 41 HB2 GLU 41 -11.930 8.234 3.329 339 HB3 GLU 41 HB3 GLU 41 -11.253 6.771 4.052 340 HG2 GLU 41 HG2 GLU 41 -9.425 8.027 5.005 341 HG3 GLU 41 HG3 GLU 41 -9.771 9.433 4.001 342 H GLU 42 H GLU 42 -9.053 6.398 0.292 343 HA GLU 42 HA GLU 42 -6.891 5.130 1.785 344 HB2 GLU 42 HB2 GLU 42 -7.332 2.967 1.065 345 HB3 GLU 42 HB3 GLU 42 -8.952 3.572 1.202 346 HG2 GLU 42 HG2 GLU 42 -9.187 2.619 -0.767 347 HG3 GLU 42 HG3 GLU 42 -8.619 4.188 -1.382 348 H ILE 43 H ILE 43 -5.200 4.379 0.062 349 HA ILE 43 HA ILE 43 -5.070 6.213 -2.263 350 HB ILE 43 HB ILE 43 -3.059 6.034 -0.003 351 HG12 ILE 43 HG12 ILE 43 -3.958 8.518 -1.503 352 HG13 ILE 43 HG13 ILE 43 -4.908 7.869 -0.168 353 HG21 ILE 43 HG21 ILE 43 -1.702 5.637 -1.959 354 HG22 ILE 43 HG22 ILE 43 -2.547 6.919 -2.862 355 HG23 ILE 43 HG23 ILE 43 -1.472 7.310 -1.489 356 HD11 ILE 43 HD11 ILE 43 -3.531 9.533 0.769 357 HD12 ILE 43 HD12 ILE 43 -2.834 7.979 1.259 358 HD13 ILE 43 HD13 ILE 43 -2.070 8.930 -0.038 359 H TYR 44 H TYR 44 -4.602 5.064 -4.007 360 HA TYR 44 HA TYR 44 -2.861 2.684 -3.751 361 HB2 TYR 44 HB2 TYR 44 -4.076 1.480 -5.353 362 HB3 TYR 44 HB3 TYR 44 -5.143 1.850 -4.005 363 HD1 TYR 44 HD1 TYR 44 -6.645 4.131 -4.414 364 HD2 TYR 44 HD2 TYR 44 -4.964 1.649 -7.504 365 HE1 TYR 44 HE1 TYR 44 -8.234 5.078 -6.055 366 HE2 TYR 44 HE2 TYR 44 -6.547 2.606 -9.149 367 HH TYR 44 HH TYR 44 -9.213 4.730 -8.206 368 H PHE 45 H PHE 45 -1.519 2.339 -5.560 369 HA PHE 45 HA PHE 45 -1.388 4.465 -7.615 370 HB2 PHE 45 HB2 PHE 45 1.135 4.300 -7.214 371 HB3 PHE 45 HB3 PHE 45 0.194 5.436 -6.332 372 HD1 PHE 45 HD1 PHE 45 -0.310 5.012 -3.852 373 HD2 PHE 45 HD2 PHE 45 2.267 2.418 -6.126 374 HE1 PHE 45 HE1 PHE 45 0.626 4.061 -1.726 375 HE2 PHE 45 HE2 PHE 45 3.253 1.558 -4.038 376 HZ PHE 45 HZ PHE 45 2.437 2.366 -1.845 377 H SER 46 H SER 46 -0.323 3.767 -9.570 378 HA SER 46 HA SER 46 -1.192 1.121 -10.169 379 HB2 SER 46 HB2 SER 46 -0.231 2.099 -12.498 380 HB3 SER 46 HB3 SER 46 -1.794 2.530 -11.816 381 HG SER 46 HG SER 46 -0.994 4.454 -12.196 382 H THR 47 H THR 47 0.413 -0.023 -8.755 383 HA THR 47 HA THR 47 3.103 0.358 -9.001 384 HB THR 47 HB THR 47 3.407 -1.829 -7.875 385 HG1 THR 47 HG1 THR 47 1.397 -2.699 -8.931 386 HG21 THR 47 HG21 THR 47 1.198 -0.173 -6.610 387 HG22 THR 47 HG22 THR 47 2.922 0.257 -6.619 388 HG23 THR 47 HG23 THR 47 2.382 -1.220 -5.812 389 HA PRO 48 HA PRO 48 4.451 -1.638 -12.660 390 HB2 PRO 48 HB2 PRO 48 7.128 -1.592 -12.322 391 HB3 PRO 48 HB3 PRO 48 6.183 -0.076 -12.376 392 HG2 PRO 48 HG2 PRO 48 7.043 -1.637 -9.902 393 HG3 PRO 48 HG3 PRO 48 7.363 0.093 -10.261 394 HD2 PRO 48 HD2 PRO 48 5.250 -0.680 -8.764 395 HD3 PRO 48 HD3 PRO 48 5.098 0.661 -9.937 396 H VAL 49 H VAL 49 4.433 -3.256 -9.736 397 HA VAL 49 HA VAL 49 5.440 -5.794 -10.931 398 HB VAL 49 HB VAL 49 6.695 -5.437 -8.961 399 HG11 VAL 49 HG11 VAL 49 5.502 -3.657 -7.822 400 HG12 VAL 49 HG12 VAL 49 4.153 -4.766 -7.449 401 HG13 VAL 49 HG13 VAL 49 5.767 -5.042 -6.747 402 HG21 VAL 49 HG21 VAL 49 5.752 -7.700 -9.190 403 HG22 VAL 49 HG22 VAL 49 5.992 -7.239 -7.486 404 HG23 VAL 49 HG23 VAL 49 4.370 -7.196 -8.182 405 H ASN 50 H ASN 50 3.906 -7.410 -11.247 406 HA ASN 50 HA ASN 50 1.180 -6.901 -10.258 407 HB2 ASN 50 HB2 ASN 50 0.215 -7.532 -12.403 408 HB3 ASN 50 HB3 ASN 50 1.028 -5.964 -12.332 409 HD21 ASN 50 HD21 ASN 50 2.663 -5.478 -13.839 410 HD22 ASN 50 HD22 ASN 50 3.091 -6.633 -15.067 411 H VAL 51 H VAL 51 1.652 -8.549 -8.610 412 HA VAL 51 HA VAL 51 2.077 -11.246 -9.611 413 HB VAL 51 HB VAL 51 2.509 -11.742 -7.401 414 HG11 VAL 51 HG11 VAL 51 3.491 -8.918 -7.323 415 HG12 VAL 51 HG12 VAL 51 4.272 -10.399 -6.764 416 HG13 VAL 51 HG13 VAL 51 4.123 -10.079 -8.513 417 HG21 VAL 51 HG21 VAL 51 1.120 -9.214 -6.504 418 HG22 VAL 51 HG22 VAL 51 0.732 -10.919 -6.101 419 HG23 VAL 51 HG23 VAL 51 2.189 -10.174 -5.472 420 H GLN 52 H GLN 52 0.685 -12.957 -8.597 421 HA GLN 52 HA GLN 52 -2.093 -12.115 -7.879 422 HB2 GLN 52 HB2 GLN 52 -1.131 -14.200 -9.859 423 HB3 GLN 52 HB3 GLN 52 -2.696 -14.389 -9.092 424 HG2 GLN 52 HG2 GLN 52 -2.064 -11.788 -10.518 425 HG3 GLN 52 HG3 GLN 52 -2.531 -13.228 -11.418 426 HE21 GLN 52 HE21 GLN 52 -3.649 -11.146 -8.700 427 HE22 GLN 52 HE22 GLN 52 -5.344 -11.525 -8.891 428 H LYS 53 H LYS 53 0.473 -13.087 -6.303 429 HA LYS 53 HA LYS 53 -0.623 -15.589 -5.143 430 HB2 LYS 53 HB2 LYS 53 1.548 -15.582 -6.397 431 HB3 LYS 53 HB3 LYS 53 2.216 -14.484 -5.195 432 HG2 LYS 53 HG2 LYS 53 1.984 -16.154 -3.434 433 HG3 LYS 53 HG3 LYS 53 1.081 -17.229 -4.519 434 HD2 LYS 53 HD2 LYS 53 2.993 -17.726 -5.843 435 HD3 LYS 53 HD3 LYS 53 3.847 -16.289 -5.282 436 HE2 LYS 53 HE2 LYS 53 3.916 -17.353 -2.962 437 HE3 LYS 53 HE3 LYS 53 3.328 -18.836 -3.707 438 HZ1 LYS 53 HZ1 LYS 53 5.292 -19.004 -4.972 439 HZ2 LYS 53 HZ2 LYS 53 5.762 -18.640 -3.436 440 HZ3 LYS 53 HZ3 LYS 53 5.763 -17.465 -4.624 441 H MET 54 H MET 54 -1.357 -15.544 -3.032 442 HA MET 54 HA MET 54 -0.384 -13.506 -1.201 443 HB2 MET 54 HB2 MET 54 -2.658 -13.369 -0.262 444 HB3 MET 54 HB3 MET 54 -2.399 -12.565 -1.811 445 HG2 MET 54 HG2 MET 54 -3.837 -15.219 -1.433 446 HG3 MET 54 HG3 MET 54 -4.586 -13.631 -1.538 447 HE1 MET 54 HE1 MET 54 -4.604 -16.591 -3.650 448 HE2 MET 54 HE2 MET 54 -3.393 -16.299 -4.922 449 HE3 MET 54 HE3 MET 54 -2.883 -16.492 -3.235 450 H GLU 55 H GLU 55 0.439 -14.411 0.528 451 HA GLU 55 HA GLU 55 -0.176 -17.221 1.153 452 HB2 GLU 55 HB2 GLU 55 1.862 -15.315 2.343 453 HB3 GLU 55 HB3 GLU 55 1.762 -17.049 2.644 454 HG2 GLU 55 HG2 GLU 55 1.896 -16.533 -0.251 455 HG3 GLU 55 HG3 GLU 55 3.199 -15.701 0.569 456 H ASN 56 H ASN 56 -0.518 -13.957 2.615 457 HA ASN 56 HA ASN 56 -2.119 -15.085 4.868 458 HB2 ASN 56 HB2 ASN 56 -0.029 -14.089 5.601 459 HB3 ASN 56 HB3 ASN 56 -0.360 -12.600 4.715 460 HD21 ASN 56 HD21 ASN 56 -0.750 -11.022 6.251 461 HD22 ASN 56 HD22 ASN 56 -1.625 -11.309 7.745 462 HA PRO 57 HA PRO 57 -4.663 -12.428 1.941 463 HB2 PRO 57 HB2 PRO 57 -6.758 -14.101 1.427 464 HB3 PRO 57 HB3 PRO 57 -5.224 -14.150 0.523 465 HG2 PRO 57 HG2 PRO 57 -6.046 -15.878 2.867 466 HG3 PRO 57 HG3 PRO 57 -5.344 -16.404 1.297 467 HD2 PRO 57 HD2 PRO 57 -3.801 -16.071 3.507 468 HD3 PRO 57 HD3 PRO 57 -3.214 -15.611 1.874 469 H ARG 58 H ARG 58 -6.494 -11.210 2.518 470 HA ARG 58 HA ARG 58 -7.980 -11.890 4.946 471 HB2 ARG 58 HB2 ARG 58 -6.329 -9.331 4.631 472 HB3 ARG 58 HB3 ARG 58 -7.620 -9.511 5.798 473 HG2 ARG 58 HG2 ARG 58 -5.552 -11.615 6.009 474 HG3 ARG 58 HG3 ARG 58 -4.948 -10.004 6.272 475 HD2 ARG 58 HD2 ARG 58 -6.801 -9.611 7.929 476 HD3 ARG 58 HD3 ARG 58 -7.218 -11.327 7.814 477 HE ARG 58 HE ARG 58 -5.134 -10.110 9.318 478 HH11 ARG 58 HH11 ARG 58 -5.773 -13.038 7.385 479 HH12 ARG 58 HH12 ARG 58 -4.369 -13.873 7.903 480 HH21 ARG 58 HH21 ARG 58 -3.216 -11.351 10.093 481 HH22 ARG 58 HH22 ARG 58 -3.056 -12.993 9.594 482 H GLU 59 H GLU 59 -9.960 -10.984 4.948 483 HA GLU 59 HA GLU 59 -10.831 -9.447 2.571 484 HB2 GLU 59 HB2 GLU 59 -12.137 -11.260 4.611 485 HB3 GLU 59 HB3 GLU 59 -13.138 -10.237 3.560 486 HG2 GLU 59 HG2 GLU 59 -12.380 -11.268 1.595 487 HG3 GLU 59 HG3 GLU 59 -10.906 -11.861 2.297 488 H VAL 60 H VAL 60 -9.933 -8.808 5.837 489 HA VAL 60 HA VAL 60 -10.886 -6.104 5.643 490 HB VAL 60 HB VAL 60 -12.694 -7.091 6.696 491 HG11 VAL 60 HG11 VAL 60 -11.960 -9.266 7.212 492 HG12 VAL 60 HG12 VAL 60 -10.927 -8.650 8.540 493 HG13 VAL 60 HG13 VAL 60 -12.713 -8.522 8.614 494 HG21 VAL 60 HG21 VAL 60 -10.978 -6.077 9.010 495 HG22 VAL 60 HG22 VAL 60 -11.949 -5.062 7.933 496 HG23 VAL 60 HG23 VAL 60 -12.729 -6.208 9.026 497 H VAL 61 H VAL 61 -9.691 -4.711 6.982 498 HA VAL 61 HA VAL 61 -7.126 -5.761 8.032 499 HB VAL 61 HB VAL 61 -5.973 -4.019 6.820 500 HG11 VAL 61 HG11 VAL 61 -6.065 -4.844 4.584 501 HG12 VAL 61 HG12 VAL 61 -6.402 -6.214 5.665 502 HG13 VAL 61 HG13 VAL 61 -7.724 -5.441 4.777 503 HG21 VAL 61 HG21 VAL 61 -8.565 -2.778 6.555 504 HG22 VAL 61 HG22 VAL 61 -6.976 -2.163 6.112 505 HG23 VAL 61 HG23 VAL 61 -7.956 -3.071 4.935 506 H GLU 62 H GLU 62 -5.989 -3.646 9.039 507 HA GLU 62 HA GLU 62 -8.009 -2.319 10.776 508 HB2 GLU 62 HB2 GLU 62 -5.025 -2.529 11.055 509 HB3 GLU 62 HB3 GLU 62 -6.142 -1.865 12.277 510 HG2 GLU 62 HG2 GLU 62 -7.186 -4.065 12.527 511 HG3 GLU 62 HG3 GLU 62 -6.102 -4.717 11.311 512 H ILE 63 H ILE 63 -7.004 -0.111 11.454 513 HA ILE 63 HA ILE 63 -7.220 1.511 9.027 514 HB ILE 63 HB ILE 63 -7.205 2.319 11.966 515 HG12 ILE 63 HG12 ILE 63 -9.432 1.922 9.936 516 HG13 ILE 63 HG13 ILE 63 -9.102 0.901 11.338 517 HG21 ILE 63 HG21 ILE 63 -8.147 4.500 11.254 518 HG22 ILE 63 HG22 ILE 63 -6.555 4.293 10.617 519 HG23 ILE 63 HG23 ILE 63 -7.948 4.028 9.547 520 HD11 ILE 63 HD11 ILE 63 -10.204 3.705 11.338 521 HD12 ILE 63 HD12 ILE 63 -10.981 2.220 11.894 522 HD13 ILE 63 HD13 ILE 63 -9.617 2.883 12.817 523 H GLY 64 H GLY 64 -4.589 0.113 10.422 524 HA2 GLY 64 HA2 GLY 64 -2.742 2.161 9.339 525 HA3 GLY 64 HA3 GLY 64 -2.467 1.512 10.967 526 H ASP 65 H ASP 65 -3.734 -0.191 8.049 527 HA ASP 65 HA ASP 65 -1.297 -1.892 7.980 528 HB2 ASP 65 HB2 ASP 65 -4.099 -2.613 7.193 529 HB3 ASP 65 HB3 ASP 65 -2.704 -3.660 7.033 530 H VAL 66 H VAL 66 -1.356 -2.935 5.650 531 HA VAL 66 HA VAL 66 -2.222 -0.974 3.598 532 HB VAL 66 HB VAL 66 0.421 -2.496 3.789 533 HG11 VAL 66 HG11 VAL 66 -0.225 -2.461 1.434 534 HG12 VAL 66 HG12 VAL 66 -0.480 -0.700 1.512 535 HG13 VAL 66 HG13 VAL 66 1.134 -1.377 1.736 536 HG21 VAL 66 HG21 VAL 66 0.279 -0.510 5.159 537 HG22 VAL 66 HG22 VAL 66 1.404 -0.224 3.819 538 HG23 VAL 66 HG23 VAL 66 -0.255 0.443 3.770 539 H GLY 67 H GLY 67 -2.590 -2.156 1.534 540 HA2 GLY 67 HA2 GLY 67 -2.712 -5.101 1.745 541 HA3 GLY 67 HA3 GLY 67 -4.202 -4.255 1.351 542 H TYR 68 H TYR 68 -3.336 -5.928 -0.496 543 HA TYR 68 HA TYR 68 -1.749 -4.427 -2.562 544 HB2 TYR 68 HB2 TYR 68 -0.396 -6.320 -2.444 545 HB3 TYR 68 HB3 TYR 68 -1.516 -6.888 -1.165 546 HD1 TYR 68 HD1 TYR 68 -3.212 -8.505 -1.321 547 HD2 TYR 68 HD2 TYR 68 -0.570 -7.554 -4.550 548 HE1 TYR 68 HE1 TYR 68 -3.700 -10.733 -2.325 549 HE2 TYR 68 HE2 TYR 68 -1.005 -9.756 -5.564 550 HH TYR 68 HH TYR 68 -3.196 -12.196 -4.193 551 H TRP 69 H TRP 69 -3.043 -4.168 -4.548 552 HA TRP 69 HA TRP 69 -5.424 -5.889 -4.632 553 HB2 TRP 69 HB2 TRP 69 -6.013 -3.569 -3.930 554 HB3 TRP 69 HB3 TRP 69 -5.588 -3.042 -5.546 555 HD1 TRP 69 HD1 TRP 69 -7.377 -6.227 -4.364 556 HE1 TRP 69 HE1 TRP 69 -9.670 -6.471 -5.355 557 HE3 TRP 69 HE3 TRP 69 -7.624 -1.808 -7.002 558 HZ2 TRP 69 HZ2 TRP 69 -11.416 -5.035 -7.103 559 HZ3 TRP 69 HZ3 TRP 69 -9.508 -1.430 -8.539 560 HH2 TRP 69 HH2 TRP 69 -11.454 -2.988 -8.534 561 HA PRO 70 HA PRO 70 -2.804 -6.721 -8.049 562 HB2 PRO 70 HB2 PRO 70 -3.296 -9.350 -8.482 563 HB3 PRO 70 HB3 PRO 70 -2.348 -8.741 -7.083 564 HG2 PRO 70 HG2 PRO 70 -5.254 -9.591 -7.148 565 HG3 PRO 70 HG3 PRO 70 -4.027 -10.006 -5.934 566 HD2 PRO 70 HD2 PRO 70 -5.834 -7.904 -5.650 567 HD3 PRO 70 HD3 PRO 70 -4.316 -7.925 -4.853 568 HA PRO 71 HA PRO 71 -6.335 -7.968 -11.001 569 HB2 PRO 71 HB2 PRO 71 -8.955 -7.405 -10.486 570 HB3 PRO 71 HB3 PRO 71 -8.129 -8.854 -9.838 571 HG2 PRO 71 HG2 PRO 71 -8.677 -6.232 -8.426 572 HG3 PRO 71 HG3 PRO 71 -8.738 -7.906 -7.720 573 HD2 PRO 71 HD2 PRO 71 -6.700 -6.354 -7.319 574 HD3 PRO 71 HD3 PRO 71 -6.693 -8.151 -7.434 575 H GLY 72 H GLY 72 -6.339 -4.863 -9.359 576 HA2 GLY 72 HA2 GLY 72 -6.713 -3.391 -11.895 577 HA3 GLY 72 HA3 GLY 72 -6.721 -2.732 -10.282 578 H LYS 73 H LYS 73 -4.238 -4.867 -10.149 579 HA LYS 73 HA LYS 73 -2.007 -4.663 -9.877 580 HB2 LYS 73 HB2 LYS 73 -2.164 -3.109 -12.506 581 HB3 LYS 73 HB3 LYS 73 -0.676 -3.484 -11.666 582 HG2 LYS 73 HG2 LYS 73 -0.781 -5.102 -13.266 583 HG3 LYS 73 HG3 LYS 73 -1.260 -5.910 -11.763 584 HD2 LYS 73 HD2 LYS 73 -2.532 -6.745 -13.597 585 HD3 LYS 73 HD3 LYS 73 -3.620 -5.835 -12.526 586 HE2 LYS 73 HE2 LYS 73 -3.235 -3.836 -14.123 587 HE3 LYS 73 HE3 LYS 73 -2.438 -4.989 -15.207 588 HZ1 LYS 73 HZ1 LYS 73 -5.243 -5.168 -14.233 589 HZ2 LYS 73 HZ2 LYS 73 -4.536 -6.241 -15.261 590 HZ3 LYS 73 HZ3 LYS 73 -4.804 -4.670 -15.709 591 H ALA 74 H ALA 74 -2.892 -3.314 -7.933 592 HA ALA 74 HA ALA 74 -1.209 -0.949 -7.841 593 HB1 ALA 74 HB1 ALA 74 -2.938 0.644 -7.275 594 HB2 ALA 74 HB2 ALA 74 -3.438 -0.112 -8.789 595 HB3 ALA 74 HB3 ALA 74 -4.182 -0.591 -7.240 596 H LEU 75 H LEU 75 -1.652 0.130 -5.677 597 HA LEU 75 HA LEU 75 -1.506 -1.892 -3.527 598 HB2 LEU 75 HB2 LEU 75 -0.200 0.689 -4.178 599 HB3 LEU 75 HB3 LEU 75 -0.921 0.815 -2.609 600 HG LEU 75 HG LEU 75 1.562 -0.051 -3.001 601 HD11 LEU 75 HD11 LEU 75 1.498 -1.198 -0.859 602 HD12 LEU 75 HD12 LEU 75 -0.269 -1.319 -0.953 603 HD13 LEU 75 HD13 LEU 75 0.515 0.260 -0.829 604 HD21 LEU 75 HD21 LEU 75 0.719 -1.962 -4.466 605 HD22 LEU 75 HD22 LEU 75 0.192 -2.756 -2.983 606 HD23 LEU 75 HD23 LEU 75 1.880 -2.400 -3.184 607 H CYS 76 H CYS 76 -2.276 -0.875 -1.275 608 HA CYS 76 HA CYS 76 -4.269 1.102 -1.459 609 HB2 CYS 76 HB2 CYS 76 -4.981 -1.685 -0.378 610 HB3 CYS 76 HB3 CYS 76 -5.853 -0.227 0.072 611 HG CYS 76 HG CYS 76 -6.509 0.379 -2.470 612 H LEU 77 H LEU 77 -3.899 2.410 0.098 613 HA LEU 77 HA LEU 77 -2.721 1.529 2.684 614 HB2 LEU 77 HB2 LEU 77 -2.726 4.109 1.037 615 HB3 LEU 77 HB3 LEU 77 -2.531 4.143 2.791 616 HG LEU 77 HG LEU 77 -0.714 2.523 2.562 617 HD11 LEU 77 HD11 LEU 77 -0.710 2.954 -0.350 618 HD12 LEU 77 HD12 LEU 77 -0.838 1.447 0.600 619 HD13 LEU 77 HD13 LEU 77 0.674 2.339 0.650 620 HD21 LEU 77 HD21 LEU 77 -0.238 5.156 1.100 621 HD22 LEU 77 HD22 LEU 77 1.002 4.216 1.976 622 HD23 LEU 77 HD23 LEU 77 -0.307 4.975 2.867 623 H PHE 78 H PHE 78 -4.480 1.088 4.037 624 HA PHE 78 HA PHE 78 -7.021 2.555 3.614 625 HB2 PHE 78 HB2 PHE 78 -6.397 0.381 5.664 626 HB3 PHE 78 HB3 PHE 78 -7.966 0.991 5.187 627 HD1 PHE 78 HD1 PHE 78 -5.142 -1.200 4.237 628 HD2 PHE 78 HD2 PHE 78 -9.081 0.179 3.147 629 HE1 PHE 78 HE1 PHE 78 -5.395 -3.117 2.704 630 HE2 PHE 78 HE2 PHE 78 -9.311 -1.725 1.589 631 HZ PHE 78 HZ PHE 78 -7.483 -3.396 1.346 632 H PHE 79 H PHE 79 -7.534 4.270 4.979 633 HA PHE 79 HA PHE 79 -6.305 4.404 7.641 634 HB2 PHE 79 HB2 PHE 79 -5.431 6.673 7.307 635 HB3 PHE 79 HB3 PHE 79 -4.580 5.421 6.445 636 HD1 PHE 79 HD1 PHE 79 -6.793 8.331 6.088 637 HD2 PHE 79 HD2 PHE 79 -4.628 5.269 4.018 638 HE1 PHE 79 HE1 PHE 79 -7.002 9.629 3.943 639 HE2 PHE 79 HE2 PHE 79 -4.745 6.568 1.918 640 HZ PHE 79 HZ PHE 79 -5.889 8.803 1.905 641 H GLY 80 H GLY 80 -9.100 4.100 6.482 642 HA2 GLY 80 HA2 GLY 80 -10.231 5.622 8.629 643 HA3 GLY 80 HA3 GLY 80 -10.723 6.291 7.075 644 H LYS 81 H LYS 81 -12.109 5.126 5.709 645 HA LYS 81 HA LYS 81 -12.515 2.383 5.972 646 HB2 LYS 81 HB2 LYS 81 -14.022 3.289 7.913 647 HB3 LYS 81 HB3 LYS 81 -15.120 3.835 6.655 648 HG2 LYS 81 HG2 LYS 81 -14.109 1.019 6.410 649 HG3 LYS 81 HG3 LYS 81 -15.068 1.326 7.844 650 HD2 LYS 81 HD2 LYS 81 -16.346 2.312 5.353 651 HD3 LYS 81 HD3 LYS 81 -15.913 0.596 5.315 652 HE2 LYS 81 HE2 LYS 81 -18.137 0.712 6.192 653 HE3 LYS 81 HE3 LYS 81 -17.050 0.272 7.518 654 HZ1 LYS 81 HZ1 LYS 81 -17.100 2.674 8.165 655 HZ2 LYS 81 HZ2 LYS 81 -18.551 1.936 8.251 656 HZ3 LYS 81 HZ3 LYS 81 -18.245 2.911 6.980 657 H THR 82 H THR 82 -13.271 1.538 4.021 658 HA THR 82 HA THR 82 -13.572 3.373 1.846 659 HB THR 82 HB THR 82 -13.489 0.867 0.783 660 HG1 THR 82 HG1 THR 82 -12.664 -0.598 2.170 661 HG21 THR 82 HG21 THR 82 -11.126 2.249 2.145 662 HG22 THR 82 HG22 THR 82 -11.773 2.665 0.555 663 HG23 THR 82 HG23 THR 82 -11.033 1.076 0.810 664 HA PRO 83 HA PRO 83 -17.882 2.742 1.060 665 HB2 PRO 83 HB2 PRO 83 -18.156 2.875 -1.646 666 HB3 PRO 83 HB3 PRO 83 -17.556 4.263 -0.688 667 HG2 PRO 83 HG2 PRO 83 -15.890 2.172 -2.149 668 HG3 PRO 83 HG3 PRO 83 -15.778 3.960 -2.277 669 HD2 PRO 83 HD2 PRO 83 -14.140 2.621 -0.598 670 HD3 PRO 83 HD3 PRO 83 -14.918 4.161 -0.093 671 H MET 84 H MET 84 -15.775 0.290 -0.205 672 HA MET 84 HA MET 84 -17.804 -1.321 -1.459 673 HB2 MET 84 HB2 MET 84 -15.008 -1.170 -1.390 674 HB3 MET 84 HB3 MET 84 -15.316 -2.695 -0.576 675 HG2 MET 84 HG2 MET 84 -16.516 -1.925 -3.274 676 HG3 MET 84 HG3 MET 84 -14.995 -2.782 -3.085 677 HE1 MET 84 HE1 MET 84 -15.432 -4.760 -4.439 678 HE2 MET 84 HE2 MET 84 -16.914 -5.731 -4.413 679 HE3 MET 84 HE3 MET 84 -16.968 -4.035 -4.958 680 H SER 85 H SER 85 -16.556 -1.077 1.805 681 HA SER 85 HA SER 85 -17.463 -3.627 2.825 682 HB2 SER 85 HB2 SER 85 -16.883 -1.440 4.698 683 HB3 SER 85 HB3 SER 85 -16.123 -3.015 4.515 684 HG SER 85 HG SER 85 -14.667 -2.098 3.047 685 H ASP 86 H ASP 86 -18.774 -3.145 5.117 686 HA ASP 86 HA ASP 86 -20.428 -0.786 4.823 687 HB2 ASP 86 HB2 ASP 86 -21.736 -2.983 3.944 688 HB3 ASP 86 HB3 ASP 86 -22.055 -3.174 5.659 689 H ASP 87 H ASP 87 -19.871 -3.745 6.797 690 HA ASP 87 HA ASP 87 -20.423 -2.419 9.287 691 HB2 ASP 87 HB2 ASP 87 -18.674 -4.859 8.857 692 HB3 ASP 87 HB3 ASP 87 -19.319 -4.317 10.394 693 H LYS 88 H LYS 88 -17.380 -3.323 7.695 694 HA LYS 88 HA LYS 88 -15.702 -1.912 9.706 695 HB2 LYS 88 HB2 LYS 88 -14.510 -4.001 10.039 696 HB3 LYS 88 HB3 LYS 88 -16.227 -4.258 10.338 697 HG2 LYS 88 HG2 LYS 88 -16.264 -5.090 7.806 698 HG3 LYS 88 HG3 LYS 88 -14.524 -5.179 8.029 699 HD2 LYS 88 HD2 LYS 88 -14.863 -7.284 8.772 700 HD3 LYS 88 HD3 LYS 88 -15.452 -6.548 10.260 701 HE2 LYS 88 HE2 LYS 88 -17.722 -6.467 8.703 702 HE3 LYS 88 HE3 LYS 88 -16.936 -7.862 7.994 703 HZ1 LYS 88 HZ1 LYS 88 -16.925 -8.876 10.206 704 HZ2 LYS 88 HZ2 LYS 88 -18.443 -8.400 9.763 705 HZ3 LYS 88 HZ3 LYS 88 -17.602 -7.501 10.850 706 H ILE 89 H ILE 89 -13.126 -2.412 8.789 707 HA ILE 89 HA ILE 89 -13.262 -1.177 6.120 708 HB ILE 89 HB ILE 89 -10.809 -1.701 7.851 709 HG12 ILE 89 HG12 ILE 89 -11.324 1.073 7.732 710 HG13 ILE 89 HG13 ILE 89 -12.905 0.377 8.010 711 HG21 ILE 89 HG21 ILE 89 -11.200 0.155 5.446 712 HG22 ILE 89 HG22 ILE 89 -9.732 0.002 6.443 713 HG23 ILE 89 HG23 ILE 89 -10.251 -1.344 5.445 714 HD11 ILE 89 HD11 ILE 89 -12.175 -0.708 10.014 715 HD12 ILE 89 HD12 ILE 89 -10.491 -0.182 9.708 716 HD13 ILE 89 HD13 ILE 89 -11.766 1.030 10.031 717 H GLN 90 H GLN 90 -14.228 -3.219 5.262 718 HA GLN 90 HA GLN 90 -12.263 -5.222 4.443 719 HB2 GLN 90 HB2 GLN 90 -15.060 -4.609 3.455 720 HB3 GLN 90 HB3 GLN 90 -14.114 -6.014 2.978 721 HG2 GLN 90 HG2 GLN 90 -14.198 -6.994 5.121 722 HG3 GLN 90 HG3 GLN 90 -14.607 -5.490 5.924 723 HE21 GLN 90 HE21 GLN 90 -15.858 -8.271 5.836 724 HE22 GLN 90 HE22 GLN 90 -17.547 -7.875 5.537 725 HA PRO 91 HA PRO 91 -11.278 -2.961 0.554 726 HB2 PRO 91 HB2 PRO 91 -9.926 -5.144 -0.598 727 HB3 PRO 91 HB3 PRO 91 -9.226 -3.844 0.299 728 HG2 PRO 91 HG2 PRO 91 -9.926 -6.617 1.236 729 HG3 PRO 91 HG3 PRO 91 -8.568 -5.586 1.770 730 HD2 PRO 91 HD2 PRO 91 -10.857 -6.023 3.168 731 HD3 PRO 91 HD3 PRO 91 -9.920 -4.537 3.349 732 H ALA 92 H ALA 92 -11.359 -3.763 -1.857 733 HA ALA 92 HA ALA 92 -13.939 -4.595 -2.454 734 HB1 ALA 92 HB1 ALA 92 -11.442 -4.554 -4.213 735 HB2 ALA 92 HB2 ALA 92 -13.110 -4.581 -4.819 736 HB3 ALA 92 HB3 ALA 92 -12.516 -3.176 -3.940 737 H SER 93 H SER 93 -11.470 -6.708 -1.504 738 HA SER 93 HA SER 93 -12.698 -9.156 -2.062 739 HB2 SER 93 HB2 SER 93 -12.362 -8.676 -4.506 740 HB3 SER 93 HB3 SER 93 -10.707 -8.284 -4.217 741 HG SER 93 HG SER 93 -11.092 -10.355 -5.104 742 H ALA 94 H ALA 94 -10.665 -10.882 -2.060 743 HA ALA 94 HA ALA 94 -8.961 -10.154 0.309 744 HB1 ALA 94 HB1 ALA 94 -9.953 -12.497 0.069 745 HB2 ALA 94 HB2 ALA 94 -9.050 -12.715 -1.448 746 HB3 ALA 94 HB3 ALA 94 -8.153 -12.489 0.066 747 H VAL 95 H VAL 95 -7.962 -8.636 -0.117 748 HA VAL 95 HA VAL 95 -5.524 -8.556 -1.538 749 HB VAL 95 HB VAL 95 -6.678 -7.369 1.048 750 HG11 VAL 95 HG11 VAL 95 -5.246 -5.562 0.250 751 HG12 VAL 95 HG12 VAL 95 -4.811 -6.884 1.372 752 HG13 VAL 95 HG13 VAL 95 -4.373 -7.016 -0.351 753 HG21 VAL 95 HG21 VAL 95 -7.175 -5.293 -0.317 754 HG22 VAL 95 HG22 VAL 95 -6.829 -6.202 -1.776 755 HG23 VAL 95 HG23 VAL 95 -8.197 -6.655 -0.732 756 H ASN 96 H ASN 96 -3.857 -8.336 0.547 757 HA ASN 96 HA ASN 96 -3.609 -10.587 2.292 758 HB2 ASN 96 HB2 ASN 96 -2.594 -11.210 0.046 759 HB3 ASN 96 HB3 ASN 96 -1.613 -9.756 0.105 760 HD21 ASN 96 HD21 ASN 96 -0.132 -11.798 -0.346 761 HD22 ASN 96 HD22 ASN 96 0.718 -12.356 1.048 762 H VAL 97 H VAL 97 -2.630 -9.835 4.140 763 HA VAL 97 HA VAL 97 -1.927 -6.943 4.051 764 HB VAL 97 HB VAL 97 -2.326 -8.736 6.497 765 HG11 VAL 97 HG11 VAL 97 -2.206 -6.569 7.746 766 HG12 VAL 97 HG12 VAL 97 -0.669 -6.921 6.936 767 HG13 VAL 97 HG13 VAL 97 -1.787 -5.726 6.243 768 HG21 VAL 97 HG21 VAL 97 -4.344 -7.402 6.860 769 HG22 VAL 97 HG22 VAL 97 -4.008 -6.425 5.410 770 HG23 VAL 97 HG23 VAL 97 -4.436 -8.132 5.246 771 H ILE 98 H ILE 98 -0.127 -7.321 2.794 772 HA ILE 98 HA ILE 98 2.078 -8.970 3.817 773 HB ILE 98 HB ILE 98 3.332 -8.121 1.847 774 HG12 ILE 98 HG12 ILE 98 0.687 -6.754 1.100 775 HG13 ILE 98 HG13 ILE 98 2.289 -6.005 1.282 776 HG21 ILE 98 HG21 ILE 98 2.280 -9.676 0.390 777 HG22 ILE 98 HG22 ILE 98 1.878 -10.231 2.013 778 HG23 ILE 98 HG23 ILE 98 0.676 -9.319 1.068 779 HD11 ILE 98 HD11 ILE 98 3.076 -7.458 -0.636 780 HD12 ILE 98 HD12 ILE 98 1.355 -7.888 -0.886 781 HD13 ILE 98 HD13 ILE 98 1.883 -6.215 -1.059 782 H GLY 99 H GLY 99 1.671 -5.473 3.078 783 HA2 GLY 99 HA2 GLY 99 3.885 -4.842 4.940 784 HA3 GLY 99 HA3 GLY 99 3.133 -3.769 3.766 785 H LYS 100 H LYS 100 3.493 -2.754 6.176 786 HA LYS 100 HA LYS 100 0.763 -2.421 7.355 787 HB2 LYS 100 HB2 LYS 100 2.422 -3.884 8.639 788 HB3 LYS 100 HB3 LYS 100 3.508 -2.547 8.690 789 HG2 LYS 100 HG2 LYS 100 2.633 -2.391 10.754 790 HG3 LYS 100 HG3 LYS 100 1.593 -1.239 9.894 791 HD2 LYS 100 HD2 LYS 100 -0.129 -2.974 9.630 792 HD3 LYS 100 HD3 LYS 100 0.990 -4.203 10.226 793 HE2 LYS 100 HE2 LYS 100 -0.724 -3.558 11.919 794 HE3 LYS 100 HE3 LYS 100 0.949 -3.339 12.455 795 HZ1 LYS 100 HZ1 LYS 100 -0.439 -1.452 13.006 796 HZ2 LYS 100 HZ2 LYS 100 -0.757 -1.179 11.417 797 HZ3 LYS 100 HZ3 LYS 100 0.782 -1.002 12.031 798 H ILE 101 H ILE 101 0.294 -0.132 7.899 799 HA ILE 101 HA ILE 101 2.118 1.862 6.711 800 HB ILE 101 HB ILE 101 -0.498 2.205 8.232 801 HG12 ILE 101 HG12 ILE 101 0.160 2.766 5.299 802 HG13 ILE 101 HG13 ILE 101 -0.654 1.318 5.900 803 HG21 ILE 101 HG21 ILE 101 1.309 4.314 6.914 804 HG22 ILE 101 HG22 ILE 101 -0.264 4.629 7.659 805 HG23 ILE 101 HG23 ILE 101 1.072 4.115 8.660 806 HD11 ILE 101 HD11 ILE 101 -2.472 2.671 6.833 807 HD12 ILE 101 HD12 ILE 101 -1.751 4.125 6.106 808 HD13 ILE 101 HD13 ILE 101 -2.321 2.807 5.069 809 H VAL 102 H VAL 102 3.968 1.850 8.125 810 HA VAL 102 HA VAL 102 3.532 1.405 11.022 811 HB VAL 102 HB VAL 102 5.981 1.424 11.234 812 HG11 VAL 102 HG11 VAL 102 4.595 -0.629 10.946 813 HG12 VAL 102 HG12 VAL 102 4.897 -0.570 9.198 814 HG13 VAL 102 HG13 VAL 102 6.237 -0.815 10.346 815 HG21 VAL 102 HG21 VAL 102 7.429 1.186 9.290 816 HG22 VAL 102 HG22 VAL 102 6.066 1.422 8.183 817 HG23 VAL 102 HG23 VAL 102 6.621 2.754 9.228 818 H GLU 103 H GLU 103 4.615 4.014 8.819 819 HA GLU 103 HA GLU 103 3.864 5.960 10.946 820 HB2 GLU 103 HB2 GLU 103 6.508 5.430 9.744 821 HB3 GLU 103 HB3 GLU 103 6.020 7.099 9.504 822 HG2 GLU 103 HG2 GLU 103 5.789 5.779 12.239 823 HG3 GLU 103 HG3 GLU 103 7.317 6.359 11.608 824 H GLY 104 H GLY 104 3.404 8.110 10.059 825 HA2 GLY 104 HA2 GLY 104 2.284 9.497 8.608 826 HA3 GLY 104 HA3 GLY 104 2.885 8.540 7.253 827 H LEU 105 H LEU 105 0.607 8.490 9.984 828 HA LEU 105 HA LEU 105 -1.358 6.954 8.377 829 HB2 LEU 105 HB2 LEU 105 -0.865 6.696 10.999 830 HB3 LEU 105 HB3 LEU 105 -1.939 8.077 11.134 831 HG LEU 105 HG LEU 105 -3.600 6.725 9.650 832 HD11 LEU 105 HD11 LEU 105 -1.418 4.678 10.140 833 HD12 LEU 105 HD12 LEU 105 -2.467 4.916 8.721 834 HD13 LEU 105 HD13 LEU 105 -3.097 4.158 10.179 835 HD21 LEU 105 HD21 LEU 105 -3.902 7.088 12.068 836 HD22 LEU 105 HD22 LEU 105 -2.887 5.669 12.400 837 HD23 LEU 105 HD23 LEU 105 -4.449 5.478 11.574 838 H GLU 106 H GLU 106 -1.405 9.995 10.349 839 HA GLU 106 HA GLU 106 -3.717 11.032 9.070 840 HB2 GLU 106 HB2 GLU 106 -1.486 12.623 10.388 841 HB3 GLU 106 HB3 GLU 106 -3.150 13.157 10.108 842 HG2 GLU 106 HG2 GLU 106 -3.899 11.275 11.639 843 HG3 GLU 106 HG3 GLU 106 -2.168 11.013 12.006 844 H ASP 107 H ASP 107 -0.313 11.251 8.305 845 HA ASP 107 HA ASP 107 -0.329 13.519 6.637 846 HB2 ASP 107 HB2 ASP 107 1.555 11.349 7.297 847 HB3 ASP 107 HB3 ASP 107 1.667 11.812 5.610 848 H LEU 108 H LEU 108 -1.750 10.462 6.088 849 HA LEU 108 HA LEU 108 -1.639 10.542 3.161 850 HB2 LEU 108 HB2 LEU 108 -3.232 8.809 5.093 851 HB3 LEU 108 HB3 LEU 108 -3.085 8.561 3.365 852 HG LEU 108 HG LEU 108 -0.805 8.454 5.365 853 HD11 LEU 108 HD11 LEU 108 -2.348 6.547 5.505 854 HD12 LEU 108 HD12 LEU 108 -0.763 6.066 4.895 855 HD13 LEU 108 HD13 LEU 108 -2.138 6.241 3.764 856 HD21 LEU 108 HD21 LEU 108 -0.784 8.052 2.347 857 HD22 LEU 108 HD22 LEU 108 0.526 7.572 3.434 858 HD23 LEU 108 HD23 LEU 108 0.099 9.281 3.289 859 H LYS 109 H LYS 109 -3.923 11.458 5.742 860 HA LYS 109 HA LYS 109 -6.215 11.644 4.023 861 HB2 LYS 109 HB2 LYS 109 -5.524 12.867 6.722 862 HB3 LYS 109 HB3 LYS 109 -7.109 13.045 5.937 863 HG2 LYS 109 HG2 LYS 109 -7.516 10.684 5.957 864 HG3 LYS 109 HG3 LYS 109 -5.866 10.340 6.534 865 HD2 LYS 109 HD2 LYS 109 -6.279 11.299 8.651 866 HD3 LYS 109 HD3 LYS 109 -7.842 11.972 8.148 867 HE2 LYS 109 HE2 LYS 109 -7.220 8.988 8.259 868 HE3 LYS 109 HE3 LYS 109 -7.909 9.886 9.607 869 HZ1 LYS 109 HZ1 LYS 109 -9.554 8.758 8.203 870 HZ2 LYS 109 HZ2 LYS 109 -9.155 9.679 6.947 871 HZ3 LYS 109 HZ3 LYS 109 -9.818 10.397 8.259 872 H LYS 110 H LYS 110 -3.540 13.773 4.487 873 HA LYS 110 HA LYS 110 -4.874 16.058 3.178 874 HB2 LYS 110 HB2 LYS 110 -3.086 17.354 3.942 875 HB3 LYS 110 HB3 LYS 110 -3.646 16.335 5.271 876 HG2 LYS 110 HG2 LYS 110 -1.758 14.686 4.424 877 HG3 LYS 110 HG3 LYS 110 -1.149 16.140 3.615 878 HD2 LYS 110 HD2 LYS 110 -1.726 15.946 6.598 879 HD3 LYS 110 HD3 LYS 110 -0.159 15.537 5.915 880 HE2 LYS 110 HE2 LYS 110 -1.438 18.292 5.789 881 HE3 LYS 110 HE3 LYS 110 -0.136 17.763 6.864 882 HZ1 LYS 110 HZ1 LYS 110 0.009 18.381 4.039 883 HZ2 LYS 110 HZ2 LYS 110 0.931 17.125 4.538 884 HZ3 LYS 110 HZ3 LYS 110 1.117 18.607 5.232 885 H ILE 111 H ILE 111 -3.837 13.292 1.858 886 HA ILE 111 HA ILE 111 -2.230 14.589 -0.247 887 HB ILE 111 HB ILE 111 -2.841 11.646 0.078 888 HG12 ILE 111 HG12 ILE 111 -1.506 12.411 2.011 889 HG13 ILE 111 HG13 ILE 111 -0.645 11.286 0.981 890 HG21 ILE 111 HG21 ILE 111 -0.690 11.554 -1.363 891 HG22 ILE 111 HG22 ILE 111 -2.193 12.069 -2.155 892 HG23 ILE 111 HG23 ILE 111 -0.981 13.270 -1.681 893 HD11 ILE 111 HD11 ILE 111 0.883 12.999 1.675 894 HD12 ILE 111 HD12 ILE 111 0.586 13.252 -0.039 895 HD13 ILE 111 HD13 ILE 111 -0.225 14.297 1.142 896 H LYS 112 H LYS 112 -2.951 14.791 -2.241 897 HA LYS 112 HA LYS 112 -5.844 14.573 -2.754 898 HB2 LYS 112 HB2 LYS 112 -3.736 15.549 -4.704 899 HB3 LYS 112 HB3 LYS 112 -5.458 15.787 -4.801 900 HG2 LYS 112 HG2 LYS 112 -3.794 16.868 -2.552 901 HG3 LYS 112 HG3 LYS 112 -4.057 17.746 -4.045 902 HD2 LYS 112 HD2 LYS 112 -6.330 18.063 -3.628 903 HD3 LYS 112 HD3 LYS 112 -6.426 16.741 -2.462 904 HE2 LYS 112 HE2 LYS 112 -6.525 19.043 -1.437 905 HE3 LYS 112 HE3 LYS 112 -5.334 17.902 -0.781 906 HZ1 LYS 112 HZ1 LYS 112 -3.603 19.001 -1.885 907 HZ2 LYS 112 HZ2 LYS 112 -4.408 20.147 -1.113 908 HZ3 LYS 112 HZ3 LYS 112 -4.608 20.017 -2.738 909 H ASP 113 H ASP 113 -6.375 13.850 -5.064 910 HA ASP 113 HA ASP 113 -5.811 11.154 -5.633 911 HB2 ASP 113 HB2 ASP 113 -7.494 13.464 -6.467 912 HB3 ASP 113 HB3 ASP 113 -7.011 12.466 -7.767 913 H GLY 114 H GLY 114 -3.356 13.054 -5.885 914 HA2 GLY 114 HA2 GLY 114 -2.038 11.910 -8.035 915 HA3 GLY 114 HA3 GLY 114 -2.834 13.325 -8.735 916 H GLU 115 H GLU 115 -0.653 12.280 -6.126 917 HA GLU 115 HA GLU 115 0.737 14.907 -6.144 918 HB2 GLU 115 HB2 GLU 115 -0.115 13.268 -3.740 919 HB3 GLU 115 HB3 GLU 115 0.934 14.680 -3.712 920 HG2 GLU 115 HG2 GLU 115 -1.217 15.635 -5.166 921 HG3 GLU 115 HG3 GLU 115 -1.985 14.474 -4.095 922 H LYS 116 H LYS 116 1.358 12.577 -7.533 923 HA LYS 116 HA LYS 116 3.043 11.180 -8.069 924 HB2 LYS 116 HB2 LYS 116 3.291 13.777 -8.522 925 HB3 LYS 116 HB3 LYS 116 4.699 13.644 -7.486 926 HG2 LYS 116 HG2 LYS 116 5.449 11.707 -8.931 927 HG3 LYS 116 HG3 LYS 116 4.034 11.991 -9.954 928 HD2 LYS 116 HD2 LYS 116 6.087 14.173 -9.456 929 HD3 LYS 116 HD3 LYS 116 6.259 13.008 -10.779 930 HE2 LYS 116 HE2 LYS 116 4.565 13.881 -12.011 931 HE3 LYS 116 HE3 LYS 116 3.534 14.155 -10.614 932 HZ1 LYS 116 HZ1 LYS 116 5.342 16.081 -10.234 933 HZ2 LYS 116 HZ2 LYS 116 4.024 16.288 -11.181 934 HZ3 LYS 116 HZ3 LYS 116 5.482 15.912 -11.870 935 H VAL 117 H VAL 117 3.049 9.600 -6.346 936 HA VAL 117 HA VAL 117 4.558 10.140 -3.916 937 HB VAL 117 HB VAL 117 2.659 8.710 -3.736 938 HG11 VAL 117 HG11 VAL 117 2.428 7.685 -5.927 939 HG12 VAL 117 HG12 VAL 117 3.888 6.709 -5.647 940 HG13 VAL 117 HG13 VAL 117 2.440 6.464 -4.658 941 HG21 VAL 117 HG21 VAL 117 3.567 6.812 -2.566 942 HG22 VAL 117 HG22 VAL 117 5.156 7.072 -3.320 943 HG23 VAL 117 HG23 VAL 117 4.478 8.300 -2.230 944 H ALA 118 H ALA 118 6.724 9.773 -3.738 945 HA ALA 118 HA ALA 118 8.195 8.169 -5.771 946 HB1 ALA 118 HB1 ALA 118 9.191 10.144 -3.663 947 HB2 ALA 118 HB2 ALA 118 10.219 9.180 -4.747 948 HB3 ALA 118 HB3 ALA 118 9.128 10.412 -5.420 949 H VAL 119 H VAL 119 8.217 6.138 -5.175 950 HA VAL 119 HA VAL 119 7.907 5.178 -2.403 951 HB VAL 119 HB VAL 119 7.829 3.874 -5.183 952 HG11 VAL 119 HG11 VAL 119 7.389 2.672 -2.445 953 HG12 VAL 119 HG12 VAL 119 6.914 1.890 -3.963 954 HG13 VAL 119 HG13 VAL 119 8.623 2.228 -3.669 955 HG21 VAL 119 HG21 VAL 119 5.551 4.423 -3.232 956 HG22 VAL 119 HG22 VAL 119 5.838 5.258 -4.777 957 HG23 VAL 119 HG23 VAL 119 5.426 3.547 -4.770 958 H ARG 120 H ARG 120 9.804 4.658 -1.315 959 HA ARG 120 HA ARG 120 12.239 3.830 -2.846 960 HB2 ARG 120 HB2 ARG 120 12.400 5.741 -0.562 961 HB3 ARG 120 HB3 ARG 120 13.599 5.343 -1.791 962 HG2 ARG 120 HG2 ARG 120 12.046 6.481 -3.496 963 HG3 ARG 120 HG3 ARG 120 11.092 7.064 -2.112 964 HD2 ARG 120 HD2 ARG 120 14.039 7.475 -2.588 965 HD3 ARG 120 HD3 ARG 120 12.783 8.707 -2.872 966 HE ARG 120 HE ARG 120 12.408 7.995 -0.236 967 HH11 ARG 120 HH11 ARG 120 15.290 9.013 -2.013 968 HH12 ARG 120 HH12 ARG 120 16.157 9.503 -0.609 969 HH21 ARG 120 HH21 ARG 120 13.531 8.668 1.639 970 HH22 ARG 120 HH22 ARG 120 14.989 9.568 1.534 971 H PHE 121 H PHE 121 13.991 2.978 -0.998 972 HA PHE 121 HA PHE 121 12.562 0.840 0.356 973 HB2 PHE 121 HB2 PHE 121 15.461 1.665 0.049 974 HB3 PHE 121 HB3 PHE 121 15.038 0.401 1.187 975 HD1 PHE 121 HD1 PHE 121 13.259 -1.279 0.326 976 HD2 PHE 121 HD2 PHE 121 15.915 0.965 -2.095 977 HE1 PHE 121 HE1 PHE 121 13.147 -3.110 -1.420 978 HE2 PHE 121 HE2 PHE 121 15.936 -0.864 -3.847 979 HZ PHE 121 HZ PHE 121 14.574 -2.932 -3.463 980 H ALA 122 H ALA 122 13.401 3.683 1.328 981 HA ALA 122 HA ALA 122 13.436 4.960 3.349 982 HB1 ALA 122 HB1 ALA 122 11.569 3.234 4.074 983 HB2 ALA 122 HB2 ALA 122 12.852 2.531 5.067 984 HB3 ALA 122 HB3 ALA 122 12.373 4.200 5.324 985 H SER 123 H SER 123 14.788 4.883 5.605 986 HA SER 123 HA SER 123 16.767 2.834 5.941 987 HB2 SER 123 HB2 SER 123 17.538 5.690 5.205 988 HB3 SER 123 HB3 SER 123 18.612 4.506 5.938 989 HG SER 123 HG SER 123 17.370 3.442 3.817 990 H SER 124 H SER 124 14.532 3.602 7.544 991 HA SER 124 HA SER 124 15.901 4.680 9.951 992 HB2 SER 124 HB2 SER 124 12.911 4.410 9.400 993 HB3 SER 124 HB3 SER 124 13.638 4.694 10.989 994 HG SER 124 HG SER 124 12.904 6.616 9.966 Start of MODEL 20 1 H1 MET 1 H1 MET 1 12.395 -5.958 5.498 2 HA MET 1 HA MET 1 13.031 -3.998 4.341 3 HB2 MET 1 HB2 MET 1 12.400 -5.791 2.885 4 HB3 MET 1 HB3 MET 1 10.690 -5.359 2.944 5 HG2 MET 1 HG2 MET 1 11.012 -3.371 1.707 6 HG3 MET 1 HG3 MET 1 12.755 -3.371 1.976 7 HE1 MET 1 HE1 MET 1 13.884 -6.110 1.323 8 HE2 MET 1 HE2 MET 1 14.204 -5.958 -0.403 9 HE3 MET 1 HE3 MET 1 14.488 -4.575 0.674 10 H ARG 2 H ARG 2 12.697 -2.160 5.545 11 HA ARG 2 HA ARG 2 10.098 -0.900 5.805 12 HB2 ARG 2 HB2 ARG 2 12.976 -0.215 6.371 13 HB3 ARG 2 HB3 ARG 2 11.911 1.156 6.125 14 HG2 ARG 2 HG2 ARG 2 10.820 -1.040 7.868 15 HG3 ARG 2 HG3 ARG 2 12.266 -0.270 8.523 16 HD2 ARG 2 HD2 ARG 2 10.118 1.536 7.464 17 HD3 ARG 2 HD3 ARG 2 9.721 0.632 8.898 18 HE ARG 2 HE ARG 2 12.008 2.519 8.624 19 HH11 ARG 2 HH11 ARG 2 9.984 0.605 10.930 20 HH12 ARG 2 HH12 ARG 2 10.172 1.723 12.201 21 HH21 ARG 2 HH21 ARG 2 12.480 3.820 10.431 22 HH22 ARG 2 HH22 ARG 2 11.833 3.491 11.972 23 H VAL 3 H VAL 3 9.434 1.007 4.808 24 HA VAL 3 HA VAL 3 10.694 1.930 2.352 25 HB VAL 3 HB VAL 3 8.042 0.424 2.521 26 HG11 VAL 3 HG11 VAL 3 7.437 2.364 1.342 27 HG12 VAL 3 HG12 VAL 3 8.860 2.315 0.303 28 HG13 VAL 3 HG13 VAL 3 7.592 1.077 0.152 29 HG21 VAL 3 HG21 VAL 3 9.672 -1.144 1.951 30 HG22 VAL 3 HG22 VAL 3 8.964 -0.726 0.410 31 HG23 VAL 3 HG23 VAL 3 10.537 -0.023 0.855 32 H GLU 4 H GLU 4 10.044 4.120 1.936 33 HA GLU 4 HA GLU 4 8.094 5.382 3.756 34 HB2 GLU 4 HB2 GLU 4 10.412 5.794 4.475 35 HB3 GLU 4 HB3 GLU 4 10.782 6.495 2.876 36 HG2 GLU 4 HG2 GLU 4 9.309 8.361 3.313 37 HG3 GLU 4 HG3 GLU 4 8.756 7.607 4.815 38 H LEU 5 H LEU 5 6.481 6.123 2.543 39 HA LEU 5 HA LEU 5 6.746 6.638 -0.331 40 HB2 LEU 5 HB2 LEU 5 4.437 6.434 1.672 41 HB3 LEU 5 HB3 LEU 5 4.248 7.171 0.085 42 HG LEU 5 HG LEU 5 4.965 5.142 -1.013 43 HD11 LEU 5 HD11 LEU 5 5.063 3.878 1.729 44 HD12 LEU 5 HD12 LEU 5 6.359 4.023 0.506 45 HD13 LEU 5 HD13 LEU 5 4.986 2.962 0.201 46 HD21 LEU 5 HD21 LEU 5 2.668 4.709 0.952 47 HD22 LEU 5 HD22 LEU 5 2.898 3.820 -0.565 48 HD23 LEU 5 HD23 LEU 5 2.549 5.556 -0.607 49 H LEU 6 H LEU 6 7.545 8.550 -0.736 50 HA LEU 6 HA LEU 6 6.988 10.935 0.995 51 HB2 LEU 6 HB2 LEU 6 9.128 10.004 -0.910 52 HB3 LEU 6 HB3 LEU 6 8.680 11.686 -1.077 53 HG LEU 6 HG LEU 6 9.117 10.724 1.729 54 HD11 LEU 6 HD11 LEU 6 11.612 11.094 1.474 55 HD12 LEU 6 HD12 LEU 6 11.388 11.125 -0.286 56 HD13 LEU 6 HD13 LEU 6 11.018 9.652 0.639 57 HD21 LEU 6 HD21 LEU 6 8.480 13.075 1.059 58 HD22 LEU 6 HD22 LEU 6 10.044 13.231 0.248 59 HD23 LEU 6 HD23 LEU 6 9.965 12.983 2.012 60 H PHE 7 H PHE 7 5.326 12.187 0.357 61 HA PHE 7 HA PHE 7 4.461 12.142 -2.499 62 HB2 PHE 7 HB2 PHE 7 2.870 13.012 -0.140 63 HB3 PHE 7 HB3 PHE 7 2.216 12.639 -1.665 64 HD1 PHE 7 HD1 PHE 7 1.861 10.090 -2.269 65 HD2 PHE 7 HD2 PHE 7 3.222 11.367 1.609 66 HE1 PHE 7 HE1 PHE 7 1.330 7.983 -1.455 67 HE2 PHE 7 HE2 PHE 7 2.585 9.173 2.543 68 HZ PHE 7 HZ PHE 7 1.624 7.427 1.004 69 H GLU 8 H GLU 8 3.477 14.406 -3.191 70 HA GLU 8 HA GLU 8 5.258 16.513 -2.451 71 HB2 GLU 8 HB2 GLU 8 2.537 16.734 -3.733 72 HB3 GLU 8 HB3 GLU 8 3.754 18.000 -3.724 73 HG2 GLU 8 HG2 GLU 8 4.859 15.539 -4.885 74 HG3 GLU 8 HG3 GLU 8 3.336 16.010 -5.662 75 H SER 9 H SER 9 2.358 15.413 -0.858 76 HA SER 9 HA SER 9 2.184 17.925 0.745 77 HB2 SER 9 HB2 SER 9 0.098 15.862 0.024 78 HB3 SER 9 HB3 SER 9 -0.171 17.055 1.277 79 HG SER 9 HG SER 9 -0.410 17.267 -1.315 80 H GLY 10 H GLY 10 3.561 14.875 1.148 81 HA2 GLY 10 HA2 GLY 10 4.131 15.289 3.802 82 HA3 GLY 10 HA3 GLY 10 2.620 14.350 3.836 83 H LYS 11 H LYS 11 3.837 12.542 4.806 84 HA LYS 11 HA LYS 11 4.745 10.745 2.787 85 HB2 LYS 11 HB2 LYS 11 6.929 10.257 3.737 86 HB3 LYS 11 HB3 LYS 11 6.849 11.875 3.049 87 HG2 LYS 11 HG2 LYS 11 6.569 12.823 5.371 88 HG3 LYS 11 HG3 LYS 11 6.655 11.159 5.999 89 HD2 LYS 11 HD2 LYS 11 8.871 10.964 4.787 90 HD3 LYS 11 HD3 LYS 11 8.826 12.723 4.552 91 HE2 LYS 11 HE2 LYS 11 8.931 13.147 6.897 92 HE3 LYS 11 HE3 LYS 11 8.400 11.510 7.294 93 HZ1 LYS 11 HZ1 LYS 11 10.543 10.720 6.322 94 HZ2 LYS 11 HZ2 LYS 11 10.677 11.607 7.716 95 HZ3 LYS 11 HZ3 LYS 11 11.044 12.272 6.273 96 H CYS 12 H CYS 12 5.199 8.639 3.772 97 HA CYS 12 HA CYS 12 4.525 8.314 6.624 98 HB2 CYS 12 HB2 CYS 12 2.734 6.819 6.396 99 HB3 CYS 12 HB3 CYS 12 2.391 8.022 5.171 100 HG CYS 12 HG CYS 12 3.802 5.035 4.922 101 H VAL 13 H VAL 13 4.700 5.823 7.047 102 HA VAL 13 HA VAL 13 6.938 4.667 5.458 103 HB VAL 13 HB VAL 13 6.818 4.581 8.463 104 HG11 VAL 13 HG11 VAL 13 7.960 2.648 7.397 105 HG12 VAL 13 HG12 VAL 13 9.074 3.780 6.599 106 HG13 VAL 13 HG13 VAL 13 9.052 3.643 8.370 107 HG21 VAL 13 HG21 VAL 13 7.396 6.861 7.877 108 HG22 VAL 13 HG22 VAL 13 8.829 6.046 8.490 109 HG23 VAL 13 HG23 VAL 13 8.643 6.291 6.737 110 H ILE 14 H ILE 14 6.522 2.636 4.860 111 HA ILE 14 HA ILE 14 4.467 1.145 6.343 112 HB ILE 14 HB ILE 14 3.916 -0.108 4.410 113 HG12 ILE 14 HG12 ILE 14 5.816 1.647 2.821 114 HG13 ILE 14 HG13 ILE 14 6.036 -0.070 3.220 115 HG21 ILE 14 HG21 ILE 14 2.702 2.053 4.909 116 HG22 ILE 14 HG22 ILE 14 3.674 2.831 3.645 117 HG23 ILE 14 HG23 ILE 14 2.566 1.507 3.237 118 HD11 ILE 14 HD11 ILE 14 3.922 1.079 1.389 119 HD12 ILE 14 HD12 ILE 14 5.327 0.099 0.946 120 HD13 ILE 14 HD13 ILE 14 4.011 -0.631 1.894 121 H ASP 15 H ASP 15 4.976 -0.945 6.711 122 HA ASP 15 HA ASP 15 7.869 -1.736 6.580 123 HB2 ASP 15 HB2 ASP 15 6.870 -1.247 8.791 124 HB3 ASP 15 HB3 ASP 15 5.592 -2.455 8.471 125 H LEU 16 H LEU 16 8.236 -3.533 5.198 126 HA LEU 16 HA LEU 16 5.905 -5.341 4.675 127 HB2 LEU 16 HB2 LEU 16 8.044 -4.282 2.838 128 HB3 LEU 16 HB3 LEU 16 7.030 -5.654 2.406 129 HG LEU 16 HG LEU 16 5.857 -2.921 3.090 130 HD11 LEU 16 HD11 LEU 16 5.788 -2.530 0.647 131 HD12 LEU 16 HD12 LEU 16 6.709 -4.028 0.391 132 HD13 LEU 16 HD13 LEU 16 7.448 -2.640 1.257 133 HD21 LEU 16 HD21 LEU 16 4.408 -5.020 3.025 134 HD22 LEU 16 HD22 LEU 16 4.787 -5.155 1.306 135 HD23 LEU 16 HD23 LEU 16 3.919 -3.725 1.912 136 H ASN 17 H ASN 17 6.324 -7.419 4.828 137 HA ASN 17 HA ASN 17 8.910 -8.338 5.970 138 HB2 ASN 17 HB2 ASN 17 6.701 -9.161 6.870 139 HB3 ASN 17 HB3 ASN 17 6.427 -9.936 5.296 140 HD21 ASN 17 HD21 ASN 17 6.203 -11.824 7.000 141 HD22 ASN 17 HD22 ASN 17 7.691 -12.659 7.366 142 H GLU 18 H GLU 18 10.390 -9.569 4.784 143 HA GLU 18 HA GLU 18 10.306 -9.341 1.910 144 HB2 GLU 18 HB2 GLU 18 12.191 -10.604 3.928 145 HB3 GLU 18 HB3 GLU 18 12.469 -10.754 2.180 146 HG2 GLU 18 HG2 GLU 18 12.748 -8.431 1.865 147 HG3 GLU 18 HG3 GLU 18 11.988 -8.023 3.395 148 H GLU 19 H GLU 19 9.174 -11.824 4.074 149 HA GLU 19 HA GLU 19 9.659 -14.135 2.608 150 HB2 GLU 19 HB2 GLU 19 7.314 -13.400 4.404 151 HB3 GLU 19 HB3 GLU 19 7.603 -15.041 3.836 152 HG2 GLU 19 HG2 GLU 19 9.685 -13.503 5.438 153 HG3 GLU 19 HG3 GLU 19 8.404 -14.446 6.176 154 H TYR 20 H TYR 20 7.476 -11.650 1.661 155 HA TYR 20 HA TYR 20 5.617 -13.428 0.166 156 HB2 TYR 20 HB2 TYR 20 5.640 -10.432 0.624 157 HB3 TYR 20 HB3 TYR 20 4.354 -11.346 -0.142 158 HD1 TYR 20 HD1 TYR 20 3.356 -13.362 1.348 159 HD2 TYR 20 HD2 TYR 20 5.451 -9.927 2.891 160 HE1 TYR 20 HE1 TYR 20 2.312 -13.727 3.577 161 HE2 TYR 20 HE2 TYR 20 4.294 -10.201 5.052 162 HH TYR 20 HH TYR 20 3.340 -12.265 6.442 163 H GLU 21 H GLU 21 5.890 -13.833 -1.908 164 HA GLU 21 HA GLU 21 8.027 -13.249 -3.530 165 HB2 GLU 21 HB2 GLU 21 6.042 -14.909 -3.811 166 HB3 GLU 21 HB3 GLU 21 5.248 -13.550 -4.617 167 HG2 GLU 21 HG2 GLU 21 6.220 -14.717 -6.386 168 HG3 GLU 21 HG3 GLU 21 7.388 -13.440 -6.107 169 H VAL 22 H VAL 22 4.882 -11.403 -3.796 170 HA VAL 22 HA VAL 22 5.962 -9.658 -5.626 171 HB VAL 22 HB VAL 22 3.576 -9.802 -4.870 172 HG11 VAL 22 HG11 VAL 22 3.905 -9.659 -2.433 173 HG12 VAL 22 HG12 VAL 22 4.319 -7.943 -2.622 174 HG13 VAL 22 HG13 VAL 22 2.702 -8.514 -3.042 175 HG21 VAL 22 HG21 VAL 22 2.990 -7.442 -5.305 176 HG22 VAL 22 HG22 VAL 22 4.645 -6.961 -4.941 177 HG23 VAL 22 HG23 VAL 22 4.311 -7.968 -6.365 178 H VAL 23 H VAL 23 6.745 -9.536 -2.131 179 HA VAL 23 HA VAL 23 7.736 -6.793 -2.240 180 HB VAL 23 HB VAL 23 8.170 -9.009 -0.180 181 HG11 VAL 23 HG11 VAL 23 8.681 -6.007 -0.004 182 HG12 VAL 23 HG12 VAL 23 8.760 -7.157 1.352 183 HG13 VAL 23 HG13 VAL 23 9.908 -7.296 0.029 184 HG21 VAL 23 HG21 VAL 23 6.446 -7.777 1.121 185 HG22 VAL 23 HG22 VAL 23 6.201 -6.661 -0.247 186 HG23 VAL 23 HG23 VAL 23 5.792 -8.382 -0.395 187 H LYS 24 H LYS 24 9.124 -10.138 -2.596 188 HA LYS 24 HA LYS 24 11.820 -9.311 -2.958 189 HB2 LYS 24 HB2 LYS 24 10.391 -11.725 -4.135 190 HB3 LYS 24 HB3 LYS 24 12.119 -11.526 -3.846 191 HG2 LYS 24 HG2 LYS 24 11.658 -11.348 -1.381 192 HG3 LYS 24 HG3 LYS 24 9.936 -11.628 -1.693 193 HD2 LYS 24 HD2 LYS 24 10.411 -13.822 -2.648 194 HD3 LYS 24 HD3 LYS 24 12.149 -13.523 -2.409 195 HE2 LYS 24 HE2 LYS 24 11.746 -13.273 0.048 196 HE3 LYS 24 HE3 LYS 24 10.041 -13.589 -0.211 197 HZ1 LYS 24 HZ1 LYS 24 10.561 -15.778 -0.944 198 HZ2 LYS 24 HZ2 LYS 24 11.267 -15.522 0.542 199 HZ3 LYS 24 HZ3 LYS 24 12.182 -15.512 -0.804 200 H LEU 25 H LEU 25 9.083 -9.693 -5.250 201 HA LEU 25 HA LEU 25 10.613 -9.245 -7.628 202 HB2 LEU 25 HB2 LEU 25 7.699 -8.946 -6.836 203 HB3 LEU 25 HB3 LEU 25 8.255 -8.590 -8.453 204 HG LEU 25 HG LEU 25 7.277 -10.974 -7.618 205 HD11 LEU 25 HD11 LEU 25 7.585 -10.256 -9.932 206 HD12 LEU 25 HD12 LEU 25 8.270 -11.887 -9.723 207 HD13 LEU 25 HD13 LEU 25 9.350 -10.465 -9.762 208 HD21 LEU 25 HD21 LEU 25 10.270 -11.480 -7.598 209 HD22 LEU 25 HD22 LEU 25 9.022 -12.709 -7.714 210 HD23 LEU 25 HD23 LEU 25 9.136 -11.737 -6.277 211 H LEU 26 H LEU 26 8.686 -7.151 -5.509 212 HA LEU 26 HA LEU 26 8.935 -4.712 -6.790 213 HB2 LEU 26 HB2 LEU 26 8.281 -5.673 -4.110 214 HB3 LEU 26 HB3 LEU 26 9.156 -4.252 -4.007 215 HG LEU 26 HG LEU 26 6.593 -4.628 -5.536 216 HD11 LEU 26 HD11 LEU 26 7.168 -3.146 -2.973 217 HD12 LEU 26 HD12 LEU 26 6.280 -4.677 -3.127 218 HD13 LEU 26 HD13 LEU 26 5.599 -3.179 -3.808 219 HD21 LEU 26 HD21 LEU 26 7.868 -2.865 -6.693 220 HD22 LEU 26 HD22 LEU 26 8.154 -2.064 -5.126 221 HD23 LEU 26 HD23 LEU 26 6.503 -2.168 -5.798 222 H LYS 27 H LYS 27 11.427 -6.495 -5.044 223 HA LYS 27 HA LYS 27 12.959 -4.203 -4.248 224 HB2 LYS 27 HB2 LYS 27 13.046 -6.721 -3.468 225 HB3 LYS 27 HB3 LYS 27 14.141 -6.925 -4.855 226 HG2 LYS 27 HG2 LYS 27 15.497 -4.943 -3.844 227 HG3 LYS 27 HG3 LYS 27 14.440 -5.067 -2.438 228 HD2 LYS 27 HD2 LYS 27 16.396 -6.330 -1.929 229 HD3 LYS 27 HD3 LYS 27 15.139 -7.525 -2.268 230 HE2 LYS 27 HE2 LYS 27 16.022 -7.556 -4.700 231 HE3 LYS 27 HE3 LYS 27 17.358 -6.553 -4.111 232 HZ1 LYS 27 HZ1 LYS 27 17.868 -8.381 -2.545 233 HZ2 LYS 27 HZ2 LYS 27 18.029 -8.791 -4.136 234 HZ3 LYS 27 HZ3 LYS 27 16.711 -9.304 -3.262 235 H GLU 28 H GLU 28 12.593 -5.957 -7.276 236 HA GLU 28 HA GLU 28 15.037 -4.985 -8.557 237 HB2 GLU 28 HB2 GLU 28 12.402 -5.985 -9.688 238 HB3 GLU 28 HB3 GLU 28 13.872 -5.746 -10.611 239 HG2 GLU 28 HG2 GLU 28 13.555 -7.669 -8.233 240 HG3 GLU 28 HG3 GLU 28 13.431 -8.119 -9.892 241 H LYS 29 H LYS 29 11.988 -3.662 -7.676 242 HA LYS 29 HA LYS 29 11.978 -1.571 -9.771 243 HB2 LYS 29 HB2 LYS 29 9.719 -2.930 -8.224 244 HB3 LYS 29 HB3 LYS 29 9.525 -1.672 -9.430 245 HG2 LYS 29 HG2 LYS 29 10.550 -4.495 -9.985 246 HG3 LYS 29 HG3 LYS 29 8.945 -3.846 -10.333 247 HD2 LYS 29 HD2 LYS 29 10.370 -1.964 -11.575 248 HD3 LYS 29 HD3 LYS 29 11.572 -3.255 -11.702 249 HE2 LYS 29 HE2 LYS 29 10.055 -4.622 -12.998 250 HE3 LYS 29 HE3 LYS 29 8.664 -3.644 -12.532 251 HZ1 LYS 29 HZ1 LYS 29 9.052 -2.631 -14.496 252 HZ2 LYS 29 HZ2 LYS 29 10.637 -3.134 -14.557 253 HZ3 LYS 29 HZ3 LYS 29 10.256 -1.827 -13.696 254 H ILE 30 H ILE 30 13.241 -1.549 -6.856 255 HA ILE 30 HA ILE 30 11.736 0.874 -6.035 256 HB ILE 30 HB ILE 30 12.847 -1.276 -4.254 257 HG12 ILE 30 HG12 ILE 30 10.117 0.097 -4.216 258 HG13 ILE 30 HG13 ILE 30 10.416 -1.292 -5.220 259 HG21 ILE 30 HG21 ILE 30 13.521 1.000 -3.345 260 HG22 ILE 30 HG22 ILE 30 11.814 1.466 -3.349 261 HG23 ILE 30 HG23 ILE 30 12.397 0.154 -2.309 262 HD11 ILE 30 HD11 ILE 30 10.751 -1.297 -2.187 263 HD12 ILE 30 HD12 ILE 30 9.387 -1.941 -3.100 264 HD13 ILE 30 HD13 ILE 30 10.997 -2.675 -3.277 265 HA PRO 31 HA PRO 31 12.089 2.748 -4.994 266 HB2 PRO 31 HB2 PRO 31 12.778 5.260 -5.779 267 HB3 PRO 31 HB3 PRO 31 13.364 4.501 -4.259 268 HG2 PRO 31 HG2 PRO 31 14.824 4.737 -6.881 269 HG3 PRO 31 HG3 PRO 31 15.417 5.071 -5.213 270 HD2 PRO 31 HD2 PRO 31 15.880 2.671 -6.504 271 HD3 PRO 31 HD3 PRO 31 15.647 2.777 -4.739 272 H PHE 32 H PHE 32 10.373 3.771 -6.105 273 HA PHE 32 HA PHE 32 10.634 4.267 -8.886 274 HB2 PHE 32 HB2 PHE 32 8.821 3.051 -9.743 275 HB3 PHE 32 HB3 PHE 32 9.864 1.906 -8.967 276 HD1 PHE 32 HD1 PHE 32 9.166 1.240 -6.465 277 HD2 PHE 32 HD2 PHE 32 6.514 3.142 -9.256 278 HE1 PHE 32 HE1 PHE 32 7.237 0.145 -5.369 279 HE2 PHE 32 HE2 PHE 32 4.564 2.148 -8.096 280 HZ PHE 32 HZ PHE 32 4.936 0.541 -6.206 281 H GLU 33 H GLU 33 8.705 5.498 -9.694 282 HA GLU 33 HA GLU 33 7.208 6.837 -7.514 283 HB2 GLU 33 HB2 GLU 33 8.465 7.882 -10.059 284 HB3 GLU 33 HB3 GLU 33 7.402 8.808 -9.067 285 HG2 GLU 33 HG2 GLU 33 9.622 9.479 -8.636 286 HG3 GLU 33 HG3 GLU 33 8.948 8.806 -7.200 287 H SER 34 H SER 34 5.088 7.599 -8.273 288 HA SER 34 HA SER 34 3.877 6.455 -10.678 289 HB2 SER 34 HB2 SER 34 4.236 4.489 -9.062 290 HB3 SER 34 HB3 SER 34 2.952 5.223 -8.092 291 HG SER 34 HG SER 34 2.824 4.454 -10.863 292 H VAL 35 H VAL 35 1.434 6.688 -10.575 293 HA VAL 35 HA VAL 35 0.777 9.390 -9.617 294 HB VAL 35 HB VAL 35 -1.103 7.380 -10.956 295 HG11 VAL 35 HG11 VAL 35 -2.316 9.403 -11.677 296 HG12 VAL 35 HG12 VAL 35 -2.185 9.328 -9.920 297 HG13 VAL 35 HG13 VAL 35 -1.124 10.426 -10.840 298 HG21 VAL 35 HG21 VAL 35 0.608 9.413 -12.438 299 HG22 VAL 35 HG22 VAL 35 0.821 7.645 -12.502 300 HG23 VAL 35 HG23 VAL 35 -0.655 8.381 -13.131 301 H VAL 36 H VAL 36 -0.273 9.693 -7.721 302 HA VAL 36 HA VAL 36 -1.140 7.426 -6.054 303 HB VAL 36 HB VAL 36 -1.232 10.443 -5.655 304 HG11 VAL 36 HG11 VAL 36 -1.160 8.938 -3.186 305 HG12 VAL 36 HG12 VAL 36 -2.218 10.242 -3.717 306 HG13 VAL 36 HG13 VAL 36 -2.632 8.616 -4.163 307 HG21 VAL 36 HG21 VAL 36 0.766 9.364 -3.982 308 HG22 VAL 36 HG22 VAL 36 1.020 8.613 -5.546 309 HG23 VAL 36 HG23 VAL 36 0.956 10.383 -5.423 310 H ASN 37 H ASN 37 -2.991 6.546 -6.938 311 HA ASN 37 HA ASN 37 -5.248 8.389 -7.679 312 HB2 ASN 37 HB2 ASN 37 -4.805 5.405 -8.125 313 HB3 ASN 37 HB3 ASN 37 -6.353 6.229 -8.344 314 HD21 ASN 37 HD21 ASN 37 -3.518 5.325 -10.007 315 HD22 ASN 37 HD22 ASN 37 -3.646 6.459 -11.336 316 H THR 38 H THR 38 -7.253 8.019 -6.561 317 HA THR 38 HA THR 38 -6.976 6.763 -3.865 318 HB THR 38 HB THR 38 -7.812 8.902 -2.910 319 HG1 THR 38 HG1 THR 38 -7.587 9.696 -5.615 320 HG21 THR 38 HG21 THR 38 -5.387 8.481 -2.902 321 HG22 THR 38 HG22 THR 38 -5.755 10.209 -3.031 322 HG23 THR 38 HG23 THR 38 -5.213 9.318 -4.455 323 H TRP 39 H TRP 39 -8.976 6.320 -2.806 324 HA TRP 39 HA TRP 39 -11.470 6.550 -4.397 325 HB2 TRP 39 HB2 TRP 39 -10.299 4.588 -5.226 326 HB3 TRP 39 HB3 TRP 39 -10.072 3.982 -3.609 327 HD1 TRP 39 HD1 TRP 39 -12.788 4.444 -6.266 328 HE1 TRP 39 HE1 TRP 39 -14.273 2.364 -6.157 329 HE3 TRP 39 HE3 TRP 39 -11.016 2.325 -1.968 330 HZ2 TRP 39 HZ2 TRP 39 -14.765 0.159 -4.363 331 HZ3 TRP 39 HZ3 TRP 39 -11.838 0.109 -1.241 332 HH2 TRP 39 HH2 TRP 39 -13.687 -0.993 -2.447 333 H GLY 40 H GLY 40 -11.963 8.042 -2.678 334 HA2 GLY 40 HA2 GLY 40 -13.188 8.447 -0.720 335 HA3 GLY 40 HA3 GLY 40 -13.070 6.760 -0.307 336 H GLU 41 H GLU 41 -11.039 5.956 0.552 337 HA GLU 41 HA GLU 41 -9.452 7.929 2.103 338 HB2 GLU 41 HB2 GLU 41 -11.249 5.786 3.326 339 HB3 GLU 41 HB3 GLU 41 -10.036 6.735 4.210 340 HG2 GLU 41 HG2 GLU 41 -11.198 8.818 3.589 341 HG3 GLU 41 HG3 GLU 41 -12.461 7.883 2.789 342 H GLU 42 H GLU 42 -8.674 6.380 -0.060 343 HA GLU 42 HA GLU 42 -6.641 4.789 1.234 344 HB2 GLU 42 HB2 GLU 42 -6.775 2.950 -0.271 345 HB3 GLU 42 HB3 GLU 42 -8.320 3.093 0.543 346 HG2 GLU 42 HG2 GLU 42 -9.422 3.451 -1.365 347 HG3 GLU 42 HG3 GLU 42 -8.256 4.565 -2.044 348 H ILE 43 H ILE 43 -4.912 4.349 -0.309 349 HA ILE 43 HA ILE 43 -4.700 6.202 -2.599 350 HB ILE 43 HB ILE 43 -2.801 5.922 -0.257 351 HG12 ILE 43 HG12 ILE 43 -3.519 8.526 -1.619 352 HG13 ILE 43 HG13 ILE 43 -4.602 7.814 -0.426 353 HG21 ILE 43 HG21 ILE 43 -1.150 7.262 -1.670 354 HG22 ILE 43 HG22 ILE 43 -1.355 5.578 -2.139 355 HG23 ILE 43 HG23 ILE 43 -2.163 6.832 -3.081 356 HD11 ILE 43 HD11 ILE 43 -3.181 9.390 0.697 357 HD12 ILE 43 HD12 ILE 43 -2.743 7.764 1.237 358 HD13 ILE 43 HD13 ILE 43 -1.712 8.620 0.069 359 H TYR 44 H TYR 44 -4.250 4.987 -4.314 360 HA TYR 44 HA TYR 44 -2.545 2.605 -3.963 361 HB2 TYR 44 HB2 TYR 44 -3.614 1.437 -5.699 362 HB3 TYR 44 HB3 TYR 44 -4.759 1.778 -4.430 363 HD1 TYR 44 HD1 TYR 44 -6.418 3.761 -4.761 364 HD2 TYR 44 HD2 TYR 44 -4.198 1.974 -8.001 365 HE1 TYR 44 HE1 TYR 44 -8.130 4.542 -6.354 366 HE2 TYR 44 HE2 TYR 44 -5.912 2.760 -9.603 367 HH TYR 44 HH TYR 44 -8.478 4.980 -8.666 368 H PHE 45 H PHE 45 -1.730 2.037 -6.311 369 HA PHE 45 HA PHE 45 -1.279 4.144 -8.152 370 HB2 PHE 45 HB2 PHE 45 1.307 3.665 -7.935 371 HB3 PHE 45 HB3 PHE 45 0.553 4.958 -7.032 372 HD1 PHE 45 HD1 PHE 45 0.177 4.781 -4.644 373 HD2 PHE 45 HD2 PHE 45 2.295 1.764 -6.799 374 HE1 PHE 45 HE1 PHE 45 1.354 4.144 -2.537 375 HE2 PHE 45 HE2 PHE 45 3.340 0.971 -4.645 376 HZ PHE 45 HZ PHE 45 2.922 2.219 -2.552 377 H SER 46 H SER 46 -0.011 3.141 -10.066 378 HA SER 46 HA SER 46 -0.983 0.357 -10.294 379 HB2 SER 46 HB2 SER 46 -0.445 0.951 -12.794 380 HB3 SER 46 HB3 SER 46 -1.893 1.535 -12.010 381 HG SER 46 HG SER 46 -1.240 3.294 -12.808 382 H THR 47 H THR 47 0.657 -0.694 -9.106 383 HA THR 47 HA THR 47 3.312 0.076 -9.215 384 HB THR 47 HB THR 47 3.832 -2.148 -8.232 385 HG1 THR 47 HG1 THR 47 2.176 -3.405 -9.323 386 HG21 THR 47 HG21 THR 47 2.677 -1.846 -6.213 387 HG22 THR 47 HG22 THR 47 1.350 -0.922 -6.990 388 HG23 THR 47 HG23 THR 47 2.999 -0.257 -6.880 389 HA PRO 48 HA PRO 48 5.058 -1.502 -12.878 390 HB2 PRO 48 HB2 PRO 48 7.652 -1.923 -12.097 391 HB3 PRO 48 HB3 PRO 48 6.961 -0.299 -12.356 392 HG2 PRO 48 HG2 PRO 48 7.293 -1.813 -9.753 393 HG3 PRO 48 HG3 PRO 48 7.733 -0.104 -10.111 394 HD2 PRO 48 HD2 PRO 48 5.422 -0.762 -8.884 395 HD3 PRO 48 HD3 PRO 48 5.455 0.547 -10.097 396 H VAL 49 H VAL 49 5.163 -3.402 -9.885 397 HA VAL 49 HA VAL 49 5.643 -5.917 -11.352 398 HB VAL 49 HB VAL 49 6.797 -5.615 -9.242 399 HG11 VAL 49 HG11 VAL 49 5.515 -5.628 -7.082 400 HG12 VAL 49 HG12 VAL 49 5.438 -4.097 -7.969 401 HG13 VAL 49 HG13 VAL 49 4.054 -5.219 -7.972 402 HG21 VAL 49 HG21 VAL 49 6.087 -7.896 -9.841 403 HG22 VAL 49 HG22 VAL 49 6.147 -7.647 -8.089 404 HG23 VAL 49 HG23 VAL 49 4.581 -7.672 -8.908 405 H ASN 50 H ASN 50 4.112 -7.506 -11.633 406 HA ASN 50 HA ASN 50 1.391 -7.140 -10.618 407 HB2 ASN 50 HB2 ASN 50 1.067 -6.164 -12.748 408 HB3 ASN 50 HB3 ASN 50 2.106 -7.339 -13.547 409 HD21 ASN 50 HD21 ASN 50 0.050 -7.281 -14.970 410 HD22 ASN 50 HD22 ASN 50 -1.012 -8.642 -14.653 411 H VAL 51 H VAL 51 1.617 -9.028 -9.160 412 HA VAL 51 HA VAL 51 1.915 -11.551 -10.565 413 HB VAL 51 HB VAL 51 2.630 -12.329 -8.407 414 HG11 VAL 51 HG11 VAL 51 4.378 -11.600 -10.060 415 HG12 VAL 51 HG12 VAL 51 4.480 -10.065 -9.190 416 HG13 VAL 51 HG13 VAL 51 4.934 -11.572 -8.376 417 HG21 VAL 51 HG21 VAL 51 3.375 -11.111 -6.570 418 HG22 VAL 51 HG22 VAL 51 2.787 -9.583 -7.296 419 HG23 VAL 51 HG23 VAL 51 1.647 -10.884 -6.832 420 H GLN 52 H GLN 52 0.406 -13.175 -9.604 421 HA GLN 52 HA GLN 52 -1.986 -11.987 -8.294 422 HB2 GLN 52 HB2 GLN 52 -1.851 -13.855 -10.682 423 HB3 GLN 52 HB3 GLN 52 -3.263 -13.778 -9.641 424 HG2 GLN 52 HG2 GLN 52 -2.984 -11.120 -10.076 425 HG3 GLN 52 HG3 GLN 52 -2.218 -11.714 -11.544 426 HE21 GLN 52 HE21 GLN 52 -5.192 -12.467 -9.517 427 HE22 GLN 52 HE22 GLN 52 -6.265 -12.494 -10.913 428 H LYS 53 H LYS 53 0.530 -13.984 -7.654 429 HA LYS 53 HA LYS 53 -0.905 -16.072 -6.227 430 HB2 LYS 53 HB2 LYS 53 1.599 -15.897 -7.125 431 HB3 LYS 53 HB3 LYS 53 1.852 -15.105 -5.588 432 HG2 LYS 53 HG2 LYS 53 1.104 -17.072 -4.348 433 HG3 LYS 53 HG3 LYS 53 0.644 -17.879 -5.868 434 HD2 LYS 53 HD2 LYS 53 3.087 -17.702 -6.581 435 HD3 LYS 53 HD3 LYS 53 3.456 -17.118 -4.951 436 HE2 LYS 53 HE2 LYS 53 2.300 -19.233 -4.088 437 HE3 LYS 53 HE3 LYS 53 2.261 -19.805 -5.755 438 HZ1 LYS 53 HZ1 LYS 53 4.152 -20.710 -4.736 439 HZ2 LYS 53 HZ2 LYS 53 4.667 -19.299 -4.110 440 HZ3 LYS 53 HZ3 LYS 53 4.741 -19.581 -5.747 441 H MET 54 H MET 54 -0.874 -16.157 -3.776 442 HA MET 54 HA MET 54 -0.528 -13.678 -2.276 443 HB2 MET 54 HB2 MET 54 -3.192 -15.133 -2.165 444 HB3 MET 54 HB3 MET 54 -2.731 -13.612 -1.377 445 HG2 MET 54 HG2 MET 54 -2.550 -12.615 -3.702 446 HG3 MET 54 HG3 MET 54 -3.316 -14.114 -4.279 447 HE1 MET 54 HE1 MET 54 -5.786 -14.572 -4.399 448 HE2 MET 54 HE2 MET 54 -5.643 -14.923 -2.675 449 HE3 MET 54 HE3 MET 54 -6.957 -13.878 -3.253 450 H GLU 55 H GLU 55 -0.504 -14.189 0.011 451 HA GLU 55 HA GLU 55 -0.094 -17.069 0.655 452 HB2 GLU 55 HB2 GLU 55 1.512 -14.569 1.269 453 HB3 GLU 55 HB3 GLU 55 1.672 -16.031 2.255 454 HG2 GLU 55 HG2 GLU 55 2.053 -16.093 -0.786 455 HG3 GLU 55 HG3 GLU 55 3.360 -15.700 0.338 456 H ASN 56 H ASN 56 -0.742 -13.687 2.090 457 HA ASN 56 HA ASN 56 -2.574 -15.005 3.970 458 HB2 ASN 56 HB2 ASN 56 -1.925 -13.358 5.524 459 HB3 ASN 56 HB3 ASN 56 -0.465 -14.224 5.039 460 HD21 ASN 56 HD21 ASN 56 -0.731 -11.591 6.356 461 HD22 ASN 56 HD22 ASN 56 0.012 -10.437 5.271 462 HA PRO 57 HA PRO 57 -4.609 -11.532 1.634 463 HB2 PRO 57 HB2 PRO 57 -6.479 -12.780 0.099 464 HB3 PRO 57 HB3 PRO 57 -4.812 -12.428 -0.426 465 HG2 PRO 57 HG2 PRO 57 -5.932 -15.024 0.639 466 HG3 PRO 57 HG3 PRO 57 -4.828 -14.753 -0.756 467 HD2 PRO 57 HD2 PRO 57 -3.971 -15.508 1.779 468 HD3 PRO 57 HD3 PRO 57 -2.981 -14.572 0.623 469 H ARG 58 H ARG 58 -6.264 -10.515 2.714 470 HA ARG 58 HA ARG 58 -8.109 -12.235 4.319 471 HB2 ARG 58 HB2 ARG 58 -6.887 -9.600 5.225 472 HB3 ARG 58 HB3 ARG 58 -8.062 -10.561 6.089 473 HG2 ARG 58 HG2 ARG 58 -5.800 -12.291 5.610 474 HG3 ARG 58 HG3 ARG 58 -5.167 -10.735 6.141 475 HD2 ARG 58 HD2 ARG 58 -7.059 -10.897 7.959 476 HD3 ARG 58 HD3 ARG 58 -7.032 -12.624 7.581 477 HE ARG 58 HE ARG 58 -5.208 -11.037 9.139 478 HH11 ARG 58 HH11 ARG 58 -5.016 -14.041 7.112 479 HH12 ARG 58 HH12 ARG 58 -4.076 -14.831 8.335 480 HH21 ARG 58 HH21 ARG 58 -3.917 -12.007 10.475 481 HH22 ARG 58 HH22 ARG 58 -3.290 -13.610 10.267 482 H GLU 59 H GLU 59 -10.173 -11.425 4.581 483 HA GLU 59 HA GLU 59 -11.014 -9.475 2.522 484 HB2 GLU 59 HB2 GLU 59 -12.677 -11.364 4.251 485 HB3 GLU 59 HB3 GLU 59 -13.265 -10.330 2.936 486 HG2 GLU 59 HG2 GLU 59 -11.409 -11.542 1.533 487 HG3 GLU 59 HG3 GLU 59 -11.549 -12.812 2.754 488 H VAL 60 H VAL 60 -9.898 -8.976 5.542 489 HA VAL 60 HA VAL 60 -11.346 -6.490 5.883 490 HB VAL 60 HB VAL 60 -11.427 -8.686 7.989 491 HG11 VAL 60 HG11 VAL 60 -10.752 -6.654 9.177 492 HG12 VAL 60 HG12 VAL 60 -12.042 -5.732 8.393 493 HG13 VAL 60 HG13 VAL 60 -12.427 -6.996 9.544 494 HG21 VAL 60 HG21 VAL 60 -13.351 -8.773 6.502 495 HG22 VAL 60 HG22 VAL 60 -13.866 -8.115 8.027 496 HG23 VAL 60 HG23 VAL 60 -13.615 -7.025 6.632 497 H VAL 61 H VAL 61 -10.076 -5.074 7.253 498 HA VAL 61 HA VAL 61 -7.355 -5.803 7.969 499 HB VAL 61 HB VAL 61 -6.431 -3.945 6.607 500 HG11 VAL 61 HG11 VAL 61 -6.363 -6.273 5.727 501 HG12 VAL 61 HG12 VAL 61 -7.831 -5.930 4.788 502 HG13 VAL 61 HG13 VAL 61 -6.342 -5.028 4.468 503 HG21 VAL 61 HG21 VAL 61 -9.261 -3.726 5.496 504 HG22 VAL 61 HG22 VAL 61 -8.274 -2.474 6.269 505 HG23 VAL 61 HG23 VAL 61 -7.853 -3.089 4.667 506 H GLU 62 H GLU 62 -6.394 -3.453 8.853 507 HA GLU 62 HA GLU 62 -8.652 -2.063 10.220 508 HB2 GLU 62 HB2 GLU 62 -5.813 -2.608 11.180 509 HB3 GLU 62 HB3 GLU 62 -7.011 -1.599 12.020 510 HG2 GLU 62 HG2 GLU 62 -8.590 -3.607 11.979 511 HG3 GLU 62 HG3 GLU 62 -7.175 -4.556 11.499 512 H ILE 63 H ILE 63 -7.935 0.038 11.008 513 HA ILE 63 HA ILE 63 -7.240 1.804 8.811 514 HB ILE 63 HB ILE 63 -7.510 2.619 11.734 515 HG12 ILE 63 HG12 ILE 63 -9.769 2.438 9.724 516 HG13 ILE 63 HG13 ILE 63 -9.469 1.289 11.024 517 HG21 ILE 63 HG21 ILE 63 -6.590 4.273 9.987 518 HG22 ILE 63 HG22 ILE 63 -8.196 4.217 9.238 519 HG23 ILE 63 HG23 ILE 63 -8.000 4.801 10.905 520 HD11 ILE 63 HD11 ILE 63 -10.173 4.212 11.369 521 HD12 ILE 63 HD12 ILE 63 -11.133 2.799 11.835 522 HD13 ILE 63 HD13 ILE 63 -9.620 3.152 12.691 523 H GLY 64 H GLY 64 -5.241 0.639 8.609 524 HA2 GLY 64 HA2 GLY 64 -2.865 1.961 8.952 525 HA3 GLY 64 HA3 GLY 64 -3.040 1.215 10.537 526 H ASP 65 H ASP 65 -4.209 -0.835 7.941 527 HA ASP 65 HA ASP 65 -1.565 -2.229 7.904 528 HB2 ASP 65 HB2 ASP 65 -4.301 -3.338 7.265 529 HB3 ASP 65 HB3 ASP 65 -2.795 -4.237 7.235 530 H VAL 66 H VAL 66 -1.661 -3.581 5.562 531 HA VAL 66 HA VAL 66 -2.262 -1.582 3.441 532 HB VAL 66 HB VAL 66 0.319 -3.155 3.871 533 HG11 VAL 66 HG11 VAL 66 -0.325 -1.197 1.643 534 HG12 VAL 66 HG12 VAL 66 1.263 -1.917 1.976 535 HG13 VAL 66 HG13 VAL 66 -0.073 -2.949 1.464 536 HG21 VAL 66 HG21 VAL 66 -0.370 -0.221 4.035 537 HG22 VAL 66 HG22 VAL 66 0.132 -1.256 5.383 538 HG23 VAL 66 HG23 VAL 66 1.304 -0.846 4.113 539 H GLY 67 H GLY 67 -2.640 -2.503 1.413 540 HA2 GLY 67 HA2 GLY 67 -3.026 -5.468 1.306 541 HA3 GLY 67 HA3 GLY 67 -4.360 -4.384 0.880 542 H TYR 68 H TYR 68 -2.898 -6.309 -0.807 543 HA TYR 68 HA TYR 68 -1.916 -4.485 -2.963 544 HB2 TYR 68 HB2 TYR 68 -0.913 -7.209 -2.052 545 HB3 TYR 68 HB3 TYR 68 -0.758 -6.687 -3.717 546 HD1 TYR 68 HD1 TYR 68 -0.108 -4.941 -0.380 547 HD2 TYR 68 HD2 TYR 68 1.397 -6.132 -4.242 548 HE1 TYR 68 HE1 TYR 68 2.027 -3.823 0.116 549 HE2 TYR 68 HE2 TYR 68 3.578 -5.063 -3.712 550 HH TYR 68 HH TYR 68 4.157 -2.840 -1.418 551 H TRP 69 H TRP 69 -3.337 -4.531 -4.641 552 HA TRP 69 HA TRP 69 -5.539 -6.447 -4.496 553 HB2 TRP 69 HB2 TRP 69 -6.028 -4.059 -4.078 554 HB3 TRP 69 HB3 TRP 69 -5.603 -3.716 -5.756 555 HD1 TRP 69 HD1 TRP 69 -7.762 -6.648 -4.296 556 HE1 TRP 69 HE1 TRP 69 -10.003 -6.713 -5.560 557 HE3 TRP 69 HE3 TRP 69 -7.279 -2.435 -7.236 558 HZ2 TRP 69 HZ2 TRP 69 -11.445 -5.152 -7.341 559 HZ3 TRP 69 HZ3 TRP 69 -9.118 -1.809 -8.754 560 HH2 TRP 69 HH2 TRP 69 -11.220 -3.132 -8.836 561 HA PRO 70 HA PRO 70 -3.089 -7.961 -8.026 562 HB2 PRO 70 HB2 PRO 70 -5.067 -10.121 -8.322 563 HB3 PRO 70 HB3 PRO 70 -3.332 -10.216 -7.917 564 HG2 PRO 70 HG2 PRO 70 -5.433 -10.696 -6.110 565 HG3 PRO 70 HG3 PRO 70 -3.774 -10.259 -5.657 566 HD2 PRO 70 HD2 PRO 70 -6.212 -8.566 -5.765 567 HD3 PRO 70 HD3 PRO 70 -4.907 -8.455 -4.687 568 HA PRO 71 HA PRO 71 -6.611 -8.437 -11.067 569 HB2 PRO 71 HB2 PRO 71 -9.227 -7.955 -10.544 570 HB3 PRO 71 HB3 PRO 71 -8.395 -9.426 -9.984 571 HG2 PRO 71 HG2 PRO 71 -8.952 -6.891 -8.410 572 HG3 PRO 71 HG3 PRO 71 -9.128 -8.599 -7.835 573 HD2 PRO 71 HD2 PRO 71 -7.020 -7.214 -7.226 574 HD3 PRO 71 HD3 PRO 71 -6.999 -8.988 -7.586 575 H GLY 72 H GLY 72 -7.020 -5.436 -9.128 576 HA2 GLY 72 HA2 GLY 72 -7.486 -3.762 -11.468 577 HA3 GLY 72 HA3 GLY 72 -7.136 -3.237 -9.825 578 H LYS 73 H LYS 73 -4.706 -5.326 -10.234 579 HA LYS 73 HA LYS 73 -2.503 -4.993 -10.120 580 HB2 LYS 73 HB2 LYS 73 -2.921 -3.511 -12.751 581 HB3 LYS 73 HB3 LYS 73 -1.369 -3.647 -11.963 582 HG2 LYS 73 HG2 LYS 73 -1.111 -5.352 -13.312 583 HG3 LYS 73 HG3 LYS 73 -1.807 -6.252 -11.977 584 HD2 LYS 73 HD2 LYS 73 -3.515 -5.170 -14.271 585 HD3 LYS 73 HD3 LYS 73 -2.581 -6.657 -14.463 586 HE2 LYS 73 HE2 LYS 73 -3.752 -7.682 -12.527 587 HE3 LYS 73 HE3 LYS 73 -4.650 -6.187 -12.302 588 HZ1 LYS 73 HZ1 LYS 73 -5.503 -6.513 -14.606 589 HZ2 LYS 73 HZ2 LYS 73 -6.085 -7.456 -13.447 590 HZ3 LYS 73 HZ3 LYS 73 -4.998 -8.110 -14.492 591 H ALA 74 H ALA 74 -3.331 -3.822 -8.124 592 HA ALA 74 HA ALA 74 -2.199 -1.095 -8.157 593 HB1 ALA 74 HB1 ALA 74 -4.135 -0.223 -6.984 594 HB2 ALA 74 HB2 ALA 74 -4.651 -0.901 -8.533 595 HB3 ALA 74 HB3 ALA 74 -4.932 -1.800 -7.023 596 H LEU 75 H LEU 75 -1.680 -0.313 -6.151 597 HA LEU 75 HA LEU 75 -1.287 -2.200 -3.900 598 HB2 LEU 75 HB2 LEU 75 0.119 0.125 -4.834 599 HB3 LEU 75 HB3 LEU 75 -0.720 0.659 -3.423 600 HG LEU 75 HG LEU 75 1.582 -0.172 -2.998 601 HD11 LEU 75 HD11 LEU 75 1.230 -1.548 -1.077 602 HD12 LEU 75 HD12 LEU 75 -0.346 -2.096 -1.654 603 HD13 LEU 75 HD13 LEU 75 -0.121 -0.410 -1.147 604 HD21 LEU 75 HD21 LEU 75 0.730 -3.003 -3.463 605 HD22 LEU 75 HD22 LEU 75 2.330 -2.242 -3.643 606 HD23 LEU 75 HD23 LEU 75 1.041 -2.021 -4.866 607 H CYS 76 H CYS 76 -1.963 -0.876 -1.652 608 HA CYS 76 HA CYS 76 -4.119 0.959 -1.942 609 HB2 CYS 76 HB2 CYS 76 -5.193 -1.373 -2.246 610 HB3 CYS 76 HB3 CYS 76 -4.790 -1.653 -0.525 611 HG CYS 76 HG CYS 76 -6.413 0.892 -1.882 612 H LEU 77 H LEU 77 -4.600 1.868 0.101 613 HA LEU 77 HA LEU 77 -3.003 1.146 2.521 614 HB2 LEU 77 HB2 LEU 77 -3.305 3.839 1.116 615 HB3 LEU 77 HB3 LEU 77 -2.858 3.748 2.806 616 HG LEU 77 HG LEU 77 -1.241 2.165 0.790 617 HD11 LEU 77 HD11 LEU 77 -1.292 4.255 -0.292 618 HD12 LEU 77 HD12 LEU 77 0.229 4.234 0.586 619 HD13 LEU 77 HD13 LEU 77 -1.161 5.161 1.209 620 HD21 LEU 77 HD21 LEU 77 0.583 2.618 2.359 621 HD22 LEU 77 HD22 LEU 77 -0.784 1.817 3.152 622 HD23 LEU 77 HD23 LEU 77 -0.515 3.559 3.385 623 H PHE 78 H PHE 78 -4.340 1.428 4.438 624 HA PHE 78 HA PHE 78 -7.134 2.254 3.795 625 HB2 PHE 78 HB2 PHE 78 -6.099 0.182 5.764 626 HB3 PHE 78 HB3 PHE 78 -7.781 0.521 5.393 627 HD1 PHE 78 HD1 PHE 78 -8.330 0.410 2.699 628 HD2 PHE 78 HD2 PHE 78 -5.122 -1.664 4.698 629 HE1 PHE 78 HE1 PHE 78 -8.415 -1.380 1.001 630 HE2 PHE 78 HE2 PHE 78 -5.209 -3.451 2.979 631 HZ PHE 78 HZ PHE 78 -6.909 -3.332 1.133 632 H PHE 79 H PHE 79 -7.520 4.255 4.581 633 HA PHE 79 HA PHE 79 -6.789 4.753 7.406 634 HB2 PHE 79 HB2 PHE 79 -5.856 6.878 6.888 635 HB3 PHE 79 HB3 PHE 79 -4.956 5.560 6.188 636 HD1 PHE 79 HD1 PHE 79 -4.963 5.186 3.703 637 HD2 PHE 79 HD2 PHE 79 -6.990 8.504 5.541 638 HE1 PHE 79 HE1 PHE 79 -4.914 6.414 1.553 639 HE2 PHE 79 HE2 PHE 79 -7.222 9.595 3.338 640 HZ PHE 79 HZ PHE 79 -6.115 8.625 1.349 641 H GLY 80 H GLY 80 -9.332 3.990 6.837 642 HA2 GLY 80 HA2 GLY 80 -10.451 5.858 8.521 643 HA3 GLY 80 HA3 GLY 80 -11.064 6.319 6.929 644 H LYS 81 H LYS 81 -12.723 5.232 6.018 645 HA LYS 81 HA LYS 81 -13.098 2.456 6.862 646 HB2 LYS 81 HB2 LYS 81 -14.814 4.406 7.832 647 HB3 LYS 81 HB3 LYS 81 -15.669 3.840 6.395 648 HG2 LYS 81 HG2 LYS 81 -15.481 1.485 7.276 649 HG3 LYS 81 HG3 LYS 81 -14.651 2.097 8.725 650 HD2 LYS 81 HD2 LYS 81 -16.557 3.324 9.431 651 HD3 LYS 81 HD3 LYS 81 -17.358 3.143 7.868 652 HE2 LYS 81 HE2 LYS 81 -17.855 0.867 8.195 653 HE3 LYS 81 HE3 LYS 81 -16.826 0.759 9.635 654 HZ1 LYS 81 HZ1 LYS 81 -18.340 2.069 10.856 655 HZ2 LYS 81 HZ2 LYS 81 -19.295 1.003 9.965 656 HZ3 LYS 81 HZ3 LYS 81 -19.120 2.561 9.501 657 H THR 82 H THR 82 -13.003 4.695 4.466 658 HA THR 82 HA THR 82 -13.221 4.709 2.192 659 HB THR 82 HB THR 82 -13.002 2.213 1.132 660 HG1 THR 82 HG1 THR 82 -12.967 1.363 3.406 661 HG21 THR 82 HG21 THR 82 -10.709 3.690 2.496 662 HG22 THR 82 HG22 THR 82 -11.379 4.088 0.893 663 HG23 THR 82 HG23 THR 82 -10.577 2.542 1.160 664 HA PRO 83 HA PRO 83 -17.407 4.188 1.143 665 HB2 PRO 83 HB2 PRO 83 -17.503 3.845 -1.576 666 HB3 PRO 83 HB3 PRO 83 -16.942 5.356 -0.800 667 HG2 PRO 83 HG2 PRO 83 -15.254 3.038 -1.813 668 HG3 PRO 83 HG3 PRO 83 -15.056 4.784 -2.177 669 HD2 PRO 83 HD2 PRO 83 -13.596 3.633 -0.257 670 HD3 PRO 83 HD3 PRO 83 -14.300 5.254 0.005 671 H MET 84 H MET 84 -15.638 1.459 1.430 672 HA MET 84 HA MET 84 -17.712 -0.407 0.459 673 HB2 MET 84 HB2 MET 84 -15.886 -0.061 -1.222 674 HB3 MET 84 HB3 MET 84 -14.728 -0.620 -0.031 675 HG2 MET 84 HG2 MET 84 -17.051 -2.217 -1.201 676 HG3 MET 84 HG3 MET 84 -15.387 -2.299 -1.743 677 HE1 MET 84 HE1 MET 84 -17.879 -3.205 1.131 678 HE2 MET 84 HE2 MET 84 -17.820 -4.281 -0.287 679 HE3 MET 84 HE3 MET 84 -17.313 -4.882 1.301 680 H SER 85 H SER 85 -18.431 -0.459 2.562 681 HA SER 85 HA SER 85 -17.586 -2.446 4.221 682 HB2 SER 85 HB2 SER 85 -16.963 -1.045 6.248 683 HB3 SER 85 HB3 SER 85 -15.699 -1.294 5.062 684 HG SER 85 HG SER 85 -15.713 0.859 4.723 685 H ASP 86 H ASP 86 -18.892 -2.243 6.309 686 HA ASP 86 HA ASP 86 -20.577 0.101 6.624 687 HB2 ASP 86 HB2 ASP 86 -22.009 -1.496 5.273 688 HB3 ASP 86 HB3 ASP 86 -21.871 -2.670 6.576 689 H ASP 87 H ASP 87 -19.765 -3.205 7.739 690 HA ASP 87 HA ASP 87 -20.197 -2.578 10.537 691 HB2 ASP 87 HB2 ASP 87 -18.750 -4.888 9.176 692 HB3 ASP 87 HB3 ASP 87 -18.958 -4.749 10.916 693 H LYS 88 H LYS 88 -17.338 -3.120 8.493 694 HA LYS 88 HA LYS 88 -15.386 -1.950 10.357 695 HB2 LYS 88 HB2 LYS 88 -14.144 -4.081 10.356 696 HB3 LYS 88 HB3 LYS 88 -15.759 -4.311 11.031 697 HG2 LYS 88 HG2 LYS 88 -16.407 -5.032 8.551 698 HG3 LYS 88 HG3 LYS 88 -14.672 -5.185 8.333 699 HD2 LYS 88 HD2 LYS 88 -15.698 -7.299 8.796 700 HD3 LYS 88 HD3 LYS 88 -14.609 -6.886 10.141 701 HE2 LYS 88 HE2 LYS 88 -16.400 -6.486 11.605 702 HE3 LYS 88 HE3 LYS 88 -17.558 -6.242 10.289 703 HZ1 LYS 88 HZ1 LYS 88 -16.342 -8.869 10.879 704 HZ2 LYS 88 HZ2 LYS 88 -17.593 -8.526 9.838 705 HZ3 LYS 88 HZ3 LYS 88 -17.801 -8.383 11.449 706 H ILE 89 H ILE 89 -13.324 -1.517 9.191 707 HA ILE 89 HA ILE 89 -13.517 -0.795 6.484 708 HB ILE 89 HB ILE 89 -11.065 -1.612 8.142 709 HG12 ILE 89 HG12 ILE 89 -10.968 1.084 8.148 710 HG13 ILE 89 HG13 ILE 89 -12.686 0.922 8.001 711 HG21 ILE 89 HG21 ILE 89 -11.351 0.101 5.630 712 HG22 ILE 89 HG22 ILE 89 -9.849 -0.079 6.589 713 HG23 ILE 89 HG23 ILE 89 -10.549 -1.477 5.787 714 HD11 ILE 89 HD11 ILE 89 -11.964 1.330 10.257 715 HD12 ILE 89 HD12 ILE 89 -12.824 -0.204 10.163 716 HD13 ILE 89 HD13 ILE 89 -11.039 -0.197 10.263 717 H GLN 90 H GLN 90 -13.562 -2.171 4.629 718 HA GLN 90 HA GLN 90 -12.127 -4.681 4.959 719 HB2 GLN 90 HB2 GLN 90 -13.883 -6.074 4.458 720 HB3 GLN 90 HB3 GLN 90 -14.603 -4.959 5.602 721 HG2 GLN 90 HG2 GLN 90 -15.649 -3.776 3.736 722 HG3 GLN 90 HG3 GLN 90 -14.865 -4.901 2.600 723 HE21 GLN 90 HE21 GLN 90 -15.261 -7.274 3.052 724 HE22 GLN 90 HE22 GLN 90 -16.937 -7.711 3.291 725 HA PRO 91 HA PRO 91 -10.829 -3.255 1.008 726 HB2 PRO 91 HB2 PRO 91 -9.531 -5.490 0.063 727 HB3 PRO 91 HB3 PRO 91 -8.870 -4.368 1.264 728 HG2 PRO 91 HG2 PRO 91 -10.133 -7.050 1.753 729 HG3 PRO 91 HG3 PRO 91 -8.797 -6.272 2.651 730 HD2 PRO 91 HD2 PRO 91 -11.357 -6.346 3.553 731 HD3 PRO 91 HD3 PRO 91 -10.227 -5.029 3.941 732 H ALA 92 H ALA 92 -10.672 -3.778 -1.309 733 HA ALA 92 HA ALA 92 -13.216 -4.390 -2.201 734 HB1 ALA 92 HB1 ALA 92 -11.747 -2.732 -3.286 735 HB2 ALA 92 HB2 ALA 92 -10.645 -4.028 -3.808 736 HB3 ALA 92 HB3 ALA 92 -12.288 -3.926 -4.478 737 H SER 93 H SER 93 -10.846 -6.628 -1.453 738 HA SER 93 HA SER 93 -12.427 -8.793 -1.910 739 HB2 SER 93 HB2 SER 93 -10.503 -8.328 -4.198 740 HB3 SER 93 HB3 SER 93 -10.755 -10.004 -3.622 741 HG SER 93 HG SER 93 -12.776 -8.134 -4.231 742 H ALA 94 H ALA 94 -10.698 -10.930 -1.636 743 HA ALA 94 HA ALA 94 -9.367 -10.403 0.814 744 HB1 ALA 94 HB1 ALA 94 -10.223 -12.673 0.034 745 HB2 ALA 94 HB2 ALA 94 -8.813 -12.753 -1.036 746 HB3 ALA 94 HB3 ALA 94 -8.604 -12.663 0.726 747 H VAL 95 H VAL 95 -7.654 -8.959 0.873 748 HA VAL 95 HA VAL 95 -5.723 -8.956 -1.407 749 HB VAL 95 HB VAL 95 -5.111 -6.702 -0.637 750 HG11 VAL 95 HG11 VAL 95 -7.524 -5.716 -1.187 751 HG12 VAL 95 HG12 VAL 95 -6.530 -6.544 -2.396 752 HG13 VAL 95 HG13 VAL 95 -7.869 -7.387 -1.616 753 HG21 VAL 95 HG21 VAL 95 -7.328 -7.089 1.378 754 HG22 VAL 95 HG22 VAL 95 -5.628 -6.738 1.705 755 HG23 VAL 95 HG23 VAL 95 -6.639 -5.510 0.945 756 H ASN 96 H ASN 96 -3.605 -9.227 -1.062 757 HA ASN 96 HA ASN 96 -2.782 -10.860 1.148 758 HB2 ASN 96 HB2 ASN 96 -2.063 -10.682 -1.394 759 HB3 ASN 96 HB3 ASN 96 -0.901 -9.500 -0.789 760 HD21 ASN 96 HD21 ASN 96 0.837 -10.885 -1.385 761 HD22 ASN 96 HD22 ASN 96 1.245 -12.325 -0.478 762 H VAL 97 H VAL 97 -2.556 -10.067 3.214 763 HA VAL 97 HA VAL 97 -2.137 -7.206 3.464 764 HB VAL 97 HB VAL 97 -2.632 -9.164 5.725 765 HG11 VAL 97 HG11 VAL 97 -1.861 -6.822 6.359 766 HG12 VAL 97 HG12 VAL 97 -3.265 -6.179 5.489 767 HG13 VAL 97 HG13 VAL 97 -3.491 -7.208 6.918 768 HG21 VAL 97 HG21 VAL 97 -4.475 -9.464 4.231 769 HG22 VAL 97 HG22 VAL 97 -5.017 -8.412 5.547 770 HG23 VAL 97 HG23 VAL 97 -4.635 -7.708 3.962 771 H ILE 98 H ILE 98 0.030 -7.722 2.465 772 HA ILE 98 HA ILE 98 2.040 -9.027 4.122 773 HB ILE 98 HB ILE 98 3.481 -8.625 2.190 774 HG12 ILE 98 HG12 ILE 98 1.153 -7.016 1.037 775 HG13 ILE 98 HG13 ILE 98 2.786 -6.453 1.408 776 HG21 ILE 98 HG21 ILE 98 0.739 -9.600 1.304 777 HG22 ILE 98 HG22 ILE 98 2.328 -10.156 0.745 778 HG23 ILE 98 HG23 ILE 98 1.794 -10.522 2.378 779 HD11 ILE 98 HD11 ILE 98 2.830 -6.848 -0.913 780 HD12 ILE 98 HD12 ILE 98 3.583 -8.289 -0.237 781 HD13 ILE 98 HD13 ILE 98 1.888 -8.337 -0.777 782 H GLY 99 H GLY 99 0.967 -5.751 4.027 783 HA2 GLY 99 HA2 GLY 99 3.586 -4.832 5.113 784 HA3 GLY 99 HA3 GLY 99 2.583 -3.850 4.051 785 H LYS 100 H LYS 100 3.342 -2.998 6.601 786 HA LYS 100 HA LYS 100 0.641 -2.583 7.805 787 HB2 LYS 100 HB2 LYS 100 2.187 -4.067 9.167 788 HB3 LYS 100 HB3 LYS 100 3.290 -2.710 9.304 789 HG2 LYS 100 HG2 LYS 100 2.172 -2.024 11.132 790 HG3 LYS 100 HG3 LYS 100 0.751 -1.704 10.131 791 HD2 LYS 100 HD2 LYS 100 0.069 -4.118 10.403 792 HD3 LYS 100 HD3 LYS 100 1.476 -4.353 11.436 793 HE2 LYS 100 HE2 LYS 100 -0.346 -4.175 12.883 794 HE3 LYS 100 HE3 LYS 100 0.574 -2.675 13.055 795 HZ1 LYS 100 HZ1 LYS 100 -1.897 -2.522 12.908 796 HZ2 LYS 100 HZ2 LYS 100 -1.806 -2.935 11.312 797 HZ3 LYS 100 HZ3 LYS 100 -1.083 -1.540 11.881 798 H ILE 101 H ILE 101 0.194 -0.330 8.139 799 HA ILE 101 HA ILE 101 2.185 1.621 7.155 800 HB ILE 101 HB ILE 101 -0.577 2.047 8.366 801 HG12 ILE 101 HG12 ILE 101 0.229 2.077 5.432 802 HG13 ILE 101 HG13 ILE 101 -0.738 0.833 6.235 803 HG21 ILE 101 HG21 ILE 101 -0.267 4.386 7.469 804 HG22 ILE 101 HG22 ILE 101 0.996 3.986 8.608 805 HG23 ILE 101 HG23 ILE 101 1.341 3.935 6.873 806 HD11 ILE 101 HD11 ILE 101 -2.257 2.265 5.083 807 HD12 ILE 101 HD12 ILE 101 -2.451 2.548 6.820 808 HD13 ILE 101 HD13 ILE 101 -1.564 3.716 5.820 809 H VAL 102 H VAL 102 3.820 1.389 8.631 810 HA VAL 102 HA VAL 102 3.220 1.030 11.497 811 HB VAL 102 HB VAL 102 5.693 1.235 11.828 812 HG11 VAL 102 HG11 VAL 102 6.121 -0.991 10.905 813 HG12 VAL 102 HG12 VAL 102 4.518 -0.895 11.634 814 HG13 VAL 102 HG13 VAL 102 4.676 -0.850 9.867 815 HG21 VAL 102 HG21 VAL 102 6.284 2.586 9.829 816 HG22 VAL 102 HG22 VAL 102 7.207 1.078 9.926 817 HG23 VAL 102 HG23 VAL 102 5.862 1.211 8.778 818 H GLU 103 H GLU 103 3.995 3.745 9.354 819 HA GLU 103 HA GLU 103 3.426 5.549 11.653 820 HB2 GLU 103 HB2 GLU 103 6.025 5.485 10.071 821 HB3 GLU 103 HB3 GLU 103 5.496 6.895 10.859 822 HG2 GLU 103 HG2 GLU 103 5.336 5.228 12.972 823 HG3 GLU 103 HG3 GLU 103 6.607 4.507 11.966 824 H GLY 104 H GLY 104 3.183 7.743 10.970 825 HA2 GLY 104 HA2 GLY 104 2.532 9.484 9.579 826 HA3 GLY 104 HA3 GLY 104 3.144 8.557 8.222 827 H LEU 105 H LEU 105 0.592 7.241 10.262 828 HA LEU 105 HA LEU 105 -1.196 6.776 8.120 829 HB2 LEU 105 HB2 LEU 105 -1.163 5.730 10.488 830 HB3 LEU 105 HB3 LEU 105 -2.001 7.169 11.034 831 HG LEU 105 HG LEU 105 -3.594 5.500 10.762 832 HD11 LEU 105 HD11 LEU 105 -5.247 6.231 9.283 833 HD12 LEU 105 HD12 LEU 105 -4.076 7.031 8.244 834 HD13 LEU 105 HD13 LEU 105 -4.390 7.665 9.881 835 HD21 LEU 105 HD21 LEU 105 -2.202 4.043 9.260 836 HD22 LEU 105 HD22 LEU 105 -2.778 5.004 7.880 837 HD23 LEU 105 HD23 LEU 105 -3.929 4.078 8.869 838 H GLU 106 H GLU 106 -1.255 9.419 10.648 839 HA GLU 106 HA GLU 106 -3.745 10.303 9.527 840 HB2 GLU 106 HB2 GLU 106 -2.044 11.806 11.537 841 HB3 GLU 106 HB3 GLU 106 -3.744 12.069 11.151 842 HG2 GLU 106 HG2 GLU 106 -3.954 9.480 11.762 843 HG3 GLU 106 HG3 GLU 106 -2.462 9.777 12.651 844 H ASP 107 H ASP 107 -0.468 10.944 8.686 845 HA ASP 107 HA ASP 107 -0.910 13.479 7.347 846 HB2 ASP 107 HB2 ASP 107 1.324 11.558 7.627 847 HB3 ASP 107 HB3 ASP 107 1.212 12.241 6.010 848 H LEU 108 H LEU 108 -2.006 10.272 6.601 849 HA LEU 108 HA LEU 108 -1.828 10.571 3.727 850 HB2 LEU 108 HB2 LEU 108 -3.560 8.666 5.336 851 HB3 LEU 108 HB3 LEU 108 -3.215 8.576 3.611 852 HG LEU 108 HG LEU 108 -1.223 8.232 5.884 853 HD11 LEU 108 HD11 LEU 108 -2.154 6.300 3.733 854 HD12 LEU 108 HD12 LEU 108 -2.668 6.304 5.433 855 HD13 LEU 108 HD13 LEU 108 -0.979 5.970 5.040 856 HD21 LEU 108 HD21 LEU 108 -0.058 9.448 4.130 857 HD22 LEU 108 HD22 LEU 108 -0.627 8.290 2.904 858 HD23 LEU 108 HD23 LEU 108 0.492 7.809 4.222 859 H LYS 109 H LYS 109 -4.438 11.544 6.032 860 HA LYS 109 HA LYS 109 -6.464 11.610 4.097 861 HB2 LYS 109 HB2 LYS 109 -6.062 13.446 6.509 862 HB3 LYS 109 HB3 LYS 109 -7.542 13.246 5.591 863 HG2 LYS 109 HG2 LYS 109 -7.923 11.900 7.380 864 HG3 LYS 109 HG3 LYS 109 -7.405 10.732 6.173 865 HD2 LYS 109 HD2 LYS 109 -5.336 10.366 7.276 866 HD3 LYS 109 HD3 LYS 109 -5.443 11.919 8.137 867 HE2 LYS 109 HE2 LYS 109 -7.320 9.607 8.693 868 HE3 LYS 109 HE3 LYS 109 -5.788 9.851 9.541 869 HZ1 LYS 109 HZ1 LYS 109 -8.132 11.630 9.578 870 HZ2 LYS 109 HZ2 LYS 109 -6.651 12.149 10.103 871 HZ3 LYS 109 HZ3 LYS 109 -7.366 10.892 10.841 872 H LYS 110 H LYS 110 -3.890 13.906 4.715 873 HA LYS 110 HA LYS 110 -5.088 16.194 3.411 874 HB2 LYS 110 HB2 LYS 110 -3.132 17.315 3.907 875 HB3 LYS 110 HB3 LYS 110 -3.311 16.147 5.211 876 HG2 LYS 110 HG2 LYS 110 -1.801 14.637 3.625 877 HG3 LYS 110 HG3 LYS 110 -1.367 16.147 2.874 878 HD2 LYS 110 HD2 LYS 110 -1.173 15.671 5.875 879 HD3 LYS 110 HD3 LYS 110 0.162 15.360 4.759 880 HE2 LYS 110 HE2 LYS 110 0.755 17.522 4.820 881 HE3 LYS 110 HE3 LYS 110 -0.772 17.931 4.046 882 HZ1 LYS 110 HZ1 LYS 110 -1.693 17.941 6.402 883 HZ2 LYS 110 HZ2 LYS 110 -0.697 19.164 5.973 884 HZ3 LYS 110 HZ3 LYS 110 -0.115 17.926 6.901 885 H ILE 111 H ILE 111 -3.900 13.398 1.994 886 HA ILE 111 HA ILE 111 -2.478 14.531 -0.278 887 HB ILE 111 HB ILE 111 -3.508 11.740 0.442 888 HG12 ILE 111 HG12 ILE 111 -1.957 12.461 2.220 889 HG13 ILE 111 HG13 ILE 111 -1.255 11.192 1.257 890 HG21 ILE 111 HG21 ILE 111 -2.973 11.669 -1.828 891 HG22 ILE 111 HG22 ILE 111 -1.535 12.723 -1.583 892 HG23 ILE 111 HG23 ILE 111 -1.550 11.023 -1.016 893 HD11 ILE 111 HD11 ILE 111 0.417 12.854 1.806 894 HD12 ILE 111 HD12 ILE 111 0.127 12.933 0.059 895 HD13 ILE 111 HD13 ILE 111 -0.587 14.153 1.149 896 H LYS 112 H LYS 112 -3.151 13.918 -2.483 897 HA LYS 112 HA LYS 112 -6.062 14.279 -2.922 898 HB2 LYS 112 HB2 LYS 112 -3.971 15.172 -4.830 899 HB3 LYS 112 HB3 LYS 112 -5.673 15.632 -4.794 900 HG2 LYS 112 HG2 LYS 112 -3.505 16.352 -2.875 901 HG3 LYS 112 HG3 LYS 112 -4.069 17.347 -4.202 902 HD2 LYS 112 HD2 LYS 112 -5.909 18.079 -3.061 903 HD3 LYS 112 HD3 LYS 112 -6.093 16.546 -2.182 904 HE2 LYS 112 HE2 LYS 112 -5.300 18.448 -0.711 905 HE3 LYS 112 HE3 LYS 112 -4.310 16.985 -0.732 906 HZ1 LYS 112 HZ1 LYS 112 -3.102 19.196 -0.887 907 HZ2 LYS 112 HZ2 LYS 112 -3.607 19.268 -2.448 908 HZ3 LYS 112 HZ3 LYS 112 -2.658 18.033 -1.971 909 H ASP 113 H ASP 113 -6.497 13.654 -5.275 910 HA ASP 113 HA ASP 113 -5.650 10.959 -5.964 911 HB2 ASP 113 HB2 ASP 113 -7.951 12.019 -6.181 912 HB3 ASP 113 HB3 ASP 113 -7.288 12.963 -7.516 913 H GLY 114 H GLY 114 -3.377 12.476 -5.981 914 HA2 GLY 114 HA2 GLY 114 -1.902 11.653 -7.948 915 HA3 GLY 114 HA3 GLY 114 -2.699 12.913 -8.876 916 H GLU 115 H GLU 115 -0.636 12.440 -5.981 917 HA GLU 115 HA GLU 115 0.641 15.074 -6.570 918 HB2 GLU 115 HB2 GLU 115 0.092 13.809 -3.863 919 HB3 GLU 115 HB3 GLU 115 1.037 15.220 -4.155 920 HG2 GLU 115 HG2 GLU 115 -1.266 15.903 -5.469 921 HG3 GLU 115 HG3 GLU 115 -1.904 14.769 -4.288 922 H LYS 116 H LYS 116 1.384 12.589 -7.637 923 HA LYS 116 HA LYS 116 3.172 11.149 -8.012 924 HB2 LYS 116 HB2 LYS 116 4.135 13.972 -7.598 925 HB3 LYS 116 HB3 LYS 116 5.299 12.728 -8.068 926 HG2 LYS 116 HG2 LYS 116 4.211 12.235 -10.073 927 HG3 LYS 116 HG3 LYS 116 2.715 13.069 -9.612 928 HD2 LYS 116 HD2 LYS 116 3.817 15.233 -9.580 929 HD3 LYS 116 HD3 LYS 116 5.391 14.497 -9.933 930 HE2 LYS 116 HE2 LYS 116 4.814 13.989 -12.152 931 HE3 LYS 116 HE3 LYS 116 3.074 14.165 -11.852 932 HZ1 LYS 116 HZ1 LYS 116 4.386 16.084 -12.983 933 HZ2 LYS 116 HZ2 LYS 116 4.834 16.474 -11.469 934 HZ3 LYS 116 HZ3 LYS 116 3.227 16.432 -11.860 935 H VAL 117 H VAL 117 3.404 9.591 -6.520 936 HA VAL 117 HA VAL 117 4.655 10.194 -3.890 937 HB VAL 117 HB VAL 117 2.841 8.576 -3.860 938 HG11 VAL 117 HG11 VAL 117 2.944 7.527 -6.075 939 HG12 VAL 117 HG12 VAL 117 4.523 6.815 -5.711 940 HG13 VAL 117 HG13 VAL 117 3.089 6.280 -4.834 941 HG21 VAL 117 HG21 VAL 117 5.397 7.088 -3.244 942 HG22 VAL 117 HG22 VAL 117 4.639 8.330 -2.216 943 HG23 VAL 117 HG23 VAL 117 3.779 6.822 -2.577 944 H ALA 118 H ALA 118 6.722 9.343 -3.449 945 HA ALA 118 HA ALA 118 8.274 7.863 -5.536 946 HB1 ALA 118 HB1 ALA 118 10.331 8.746 -4.588 947 HB2 ALA 118 HB2 ALA 118 9.300 10.095 -5.101 948 HB3 ALA 118 HB3 ALA 118 9.423 9.664 -3.371 949 H VAL 119 H VAL 119 8.419 5.845 -4.924 950 HA VAL 119 HA VAL 119 7.797 4.940 -2.181 951 HB VAL 119 HB VAL 119 7.893 3.635 -4.947 952 HG11 VAL 119 HG11 VAL 119 6.629 1.756 -3.750 953 HG12 VAL 119 HG12 VAL 119 8.384 1.866 -3.669 954 HG13 VAL 119 HG13 VAL 119 7.378 2.394 -2.270 955 HG21 VAL 119 HG21 VAL 119 5.489 4.303 -3.227 956 HG22 VAL 119 HG22 VAL 119 6.000 5.152 -4.711 957 HG23 VAL 119 HG23 VAL 119 5.489 3.475 -4.808 958 H ARG 120 H ARG 120 9.815 5.003 -0.978 959 HA ARG 120 HA ARG 120 12.141 3.655 -2.311 960 HB2 ARG 120 HB2 ARG 120 12.497 6.156 -0.644 961 HB3 ARG 120 HB3 ARG 120 13.623 5.354 -1.729 962 HG2 ARG 120 HG2 ARG 120 11.776 5.911 -3.565 963 HG3 ARG 120 HG3 ARG 120 11.226 7.104 -2.405 964 HD2 ARG 120 HD2 ARG 120 13.107 8.437 -2.715 965 HD3 ARG 120 HD3 ARG 120 14.144 7.053 -3.118 966 HE ARG 120 HE ARG 120 12.096 7.429 -5.147 967 HH11 ARG 120 HH11 ARG 120 15.089 8.947 -4.058 968 HH12 ARG 120 HH12 ARG 120 15.583 9.388 -5.664 969 HH21 ARG 120 HH21 ARG 120 12.734 7.861 -7.153 970 HH22 ARG 120 HH22 ARG 120 14.247 8.669 -7.524 971 H PHE 121 H PHE 121 13.911 2.990 -0.575 972 HA PHE 121 HA PHE 121 12.539 1.185 1.200 973 HB2 PHE 121 HB2 PHE 121 15.478 1.930 0.849 974 HB3 PHE 121 HB3 PHE 121 14.915 0.653 1.904 975 HD1 PHE 121 HD1 PHE 121 13.277 -1.115 0.797 976 HD2 PHE 121 HD2 PHE 121 16.054 1.349 -1.359 977 HE1 PHE 121 HE1 PHE 121 13.235 -2.727 -1.071 978 HE2 PHE 121 HE2 PHE 121 16.123 -0.353 -3.218 979 HZ PHE 121 HZ PHE 121 14.739 -2.397 -3.056 980 H ALA 122 H ALA 122 13.635 4.122 1.719 981 HA ALA 122 HA ALA 122 12.015 4.910 3.464 982 HB1 ALA 122 HB1 ALA 122 14.318 3.972 5.103 983 HB2 ALA 122 HB2 ALA 122 13.097 5.134 5.740 984 HB3 ALA 122 HB3 ALA 122 12.607 3.507 5.232 985 H SER 123 H SER 123 12.984 7.100 4.837 986 HA SER 123 HA SER 123 15.460 7.992 3.578 987 HB2 SER 123 HB2 SER 123 13.336 8.849 2.277 988 HB3 SER 123 HB3 SER 123 13.237 10.021 3.597 989 HG SER 123 HG SER 123 14.782 11.050 2.686 990 H SER 124 H SER 124 15.170 6.938 5.918 991 HA SER 124 HA SER 124 15.345 9.100 7.965 992 HB2 SER 124 HB2 SER 124 13.633 7.234 8.305 993 HB3 SER 124 HB3 SER 124 14.985 6.096 8.323 994 HG SER 124 HG SER 124 14.721 8.322 10.075
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