NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
27642 | 2rob | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 80 1HT ASP 80 -19.788 -5.682 5.243 2 H2 ASP 80 2HT ASP 80 -19.985 -7.093 4.318 3 H3 ASP 80 3HT ASP 80 -19.097 -5.783 3.697 4 HA ASP 80 HA ASP 80 -17.994 -6.533 6.171 5 HB2 ASP 80 2HB ASP 80 -18.467 -8.750 4.169 6 HB3 ASP 80 1HB ASP 80 -17.207 -8.813 5.400 7 H ALA 81 H ALA 81 -17.925 -6.411 2.650 8 HA ALA 81 HA ALA 81 -15.189 -6.605 2.176 9 HB1 ALA 81 1HB ALA 81 -17.124 -6.283 0.491 10 HB2 ALA 81 2HB ALA 81 -15.577 -5.522 0.116 11 HB3 ALA 81 3HB ALA 81 -16.902 -4.554 0.769 12 H GLU 82 H GLU 82 -17.079 -3.690 3.043 13 HA GLU 82 HA GLU 82 -14.885 -1.930 3.059 14 HB2 GLU 82 2HB GLU 82 -17.339 -1.299 3.042 15 HB3 GLU 82 1HB GLU 82 -17.372 -1.684 4.764 16 HG2 GLU 82 2HG GLU 82 -16.946 0.660 4.599 17 HG3 GLU 82 1HG GLU 82 -15.424 -0.099 5.038 18 H GLU 83 H GLU 83 -16.108 -4.198 5.414 19 HA GLU 83 HA GLU 83 -14.631 -3.136 7.652 20 HB2 GLU 83 2HB GLU 83 -16.654 -4.686 7.775 21 HB3 GLU 83 1HB GLU 83 -15.541 -5.992 7.359 22 HG2 GLU 83 2HG GLU 83 -15.632 -5.899 9.740 23 HG3 GLU 83 1HG GLU 83 -14.087 -5.213 9.293 24 H GLU 84 H GLU 84 -14.206 -6.239 5.931 25 HA GLU 84 HA GLU 84 -11.672 -6.837 6.776 26 HB2 GLU 84 2HB GLU 84 -13.109 -8.277 5.307 27 HB3 GLU 84 1HB GLU 84 -12.639 -7.269 3.939 28 HG2 GLU 84 2HG GLU 84 -11.161 -9.174 3.968 29 HG3 GLU 84 1HG GLU 84 -10.231 -7.781 4.495 30 H LEU 85 H LEU 85 -12.531 -4.734 4.006 31 HA LEU 85 HA LEU 85 -9.865 -4.208 3.223 32 HB2 LEU 85 2HB LEU 85 -12.422 -2.644 2.861 33 HB3 LEU 85 1HB LEU 85 -10.888 -2.148 2.153 34 HG LEU 85 HG LEU 85 -12.093 -4.897 1.731 35 HD11 LEU 85 1HD1 LEU 85 -13.595 -3.090 0.880 36 HD12 LEU 85 2HD1 LEU 85 -12.936 -4.099 -0.407 37 HD13 LEU 85 3HD1 LEU 85 -12.263 -2.498 -0.112 38 HD21 LEU 85 3HD2 LEU 85 -10.553 -4.533 -0.419 39 HD22 LEU 85 1HD2 LEU 85 -9.859 -5.094 1.098 40 HD23 LEU 85 2HD2 LEU 85 -9.719 -3.399 0.639 41 H LYS 86 H LYS 86 -12.063 -2.482 5.431 42 HA LYS 86 HA LYS 86 -10.276 -0.367 6.017 43 HB2 LYS 86 2HB LYS 86 -12.699 -0.303 6.538 44 HB3 LYS 86 1HB LYS 86 -12.440 -1.512 7.797 45 HG2 LYS 86 2HG LYS 86 -10.900 0.009 8.958 46 HG3 LYS 86 1HG LYS 86 -11.107 1.208 7.683 47 HD2 LYS 86 2HD LYS 86 -13.521 1.334 8.194 48 HD3 LYS 86 1HD LYS 86 -13.302 0.150 9.484 49 HE2 LYS 86 2HE LYS 86 -11.756 1.674 10.641 50 HE3 LYS 86 1HE LYS 86 -11.943 2.857 9.345 51 HZ1 LYS 86 3HZ LYS 86 -14.056 1.877 11.184 52 HZ2 LYS 86 1HZ LYS 86 -14.354 2.869 9.841 53 HZ3 LYS 86 2HZ LYS 86 -13.398 3.442 11.125 54 H GLU 87 H GLU 87 -10.781 -3.549 7.502 55 HA GLU 87 HA GLU 87 -9.058 -3.181 9.711 56 HB2 GLU 87 2HB GLU 87 -10.664 -5.070 9.473 57 HB3 GLU 87 1HB GLU 87 -9.633 -5.751 8.210 58 HG2 GLU 87 2HG GLU 87 -7.773 -5.942 9.776 59 HG3 GLU 87 1HG GLU 87 -8.721 -5.158 11.040 60 H ALA 88 H ALA 88 -8.414 -4.855 6.614 61 HA ALA 88 HA ALA 88 -5.699 -5.305 6.974 62 HB1 ALA 88 1HB ALA 88 -7.179 -6.064 5.035 63 HB2 ALA 88 2HB ALA 88 -5.539 -5.576 4.622 64 HB3 ALA 88 3HB ALA 88 -6.885 -4.480 4.320 65 H PHE 89 H PHE 89 -7.318 -2.407 5.679 66 HA PHE 89 HA PHE 89 -5.035 -0.923 5.044 67 HB2 PHE 89 2HB PHE 89 -7.348 -0.271 4.433 68 HB3 PHE 89 1HB PHE 89 -7.653 0.131 6.124 69 HD1 PHE 89 2HD PHE 89 -6.323 1.957 7.229 70 HD2 PHE 89 1HD PHE 89 -6.116 1.208 3.007 71 HE1 PHE 89 2HE PHE 89 -5.343 4.206 6.876 72 HE2 PHE 89 1HE PHE 89 -5.145 3.457 2.655 73 HZ PHE 89 HZ PHE 89 -4.757 4.955 4.586 74 H LYS 90 H LYS 90 -6.807 -1.216 8.107 75 HA LYS 90 HA LYS 90 -5.307 0.661 9.543 76 HB2 LYS 90 2HB LYS 90 -7.460 -0.328 10.320 77 HB3 LYS 90 1HB LYS 90 -6.626 -1.849 10.611 78 HG2 LYS 90 2HG LYS 90 -6.732 -0.682 12.718 79 HG3 LYS 90 1HG LYS 90 -5.064 -0.595 12.167 80 HD2 LYS 90 2HD LYS 90 -5.246 1.671 11.537 81 HD3 LYS 90 1HD LYS 90 -7.008 1.614 11.481 82 HE2 LYS 90 2HE LYS 90 -5.368 1.295 14.003 83 HE3 LYS 90 1HE LYS 90 -6.093 2.813 13.474 84 HZ1 LYS 90 3HZ LYS 90 -8.263 1.751 13.513 85 HZ2 LYS 90 1HZ LYS 90 -7.525 1.663 15.036 86 HZ3 LYS 90 2HZ LYS 90 -7.562 0.293 14.033 87 H VAL 91 H VAL 91 -4.680 -2.701 8.743 88 HA VAL 91 HA VAL 91 -2.526 -3.043 10.602 89 HB VAL 91 HB VAL 91 -3.176 -4.550 8.057 90 HG11 VAL 91 1HG1 VAL 91 -1.223 -5.064 10.315 91 HG12 VAL 91 2HG1 VAL 91 -0.873 -4.959 8.589 92 HG13 VAL 91 3HG1 VAL 91 -1.775 -6.334 9.225 93 HG21 VAL 91 3HG2 VAL 91 -4.308 -6.104 9.484 94 HG22 VAL 91 1HG2 VAL 91 -4.874 -4.508 9.974 95 HG23 VAL 91 2HG2 VAL 91 -3.659 -5.347 10.939 96 H PHE 92 H PHE 92 -2.659 -2.267 7.132 97 HA PHE 92 HA PHE 92 0.160 -2.062 6.787 98 HB2 PHE 92 2HB PHE 92 -1.846 -0.483 5.184 99 HB3 PHE 92 1HB PHE 92 -0.280 -1.106 4.668 100 HD1 PHE 92 1HD PHE 92 -0.457 -3.908 5.793 101 HD2 PHE 92 2HD PHE 92 -3.316 -1.524 3.657 102 HE1 PHE 92 1HE PHE 92 -1.542 -5.955 4.985 103 HE2 PHE 92 2HE PHE 92 -4.420 -3.588 2.859 104 HZ PHE 92 HZ PHE 92 -3.520 -5.809 3.507 105 H ASP 93 H ASP 93 -2.285 0.209 7.840 106 HA ASP 93 HA ASP 93 -0.595 2.505 7.667 107 HB2 ASP 93 2HB ASP 93 -3.182 2.392 7.811 108 HB3 ASP 93 1HB ASP 93 -2.935 2.253 9.550 109 H LYS 94 H LYS 94 1.156 0.940 8.776 110 HA LYS 94 HA LYS 94 1.194 0.382 11.473 111 HB2 LYS 94 2HB LYS 94 3.020 -0.167 9.850 112 HB3 LYS 94 1HB LYS 94 3.543 1.515 9.936 113 HG2 LYS 94 2HG LYS 94 3.949 1.306 12.338 114 HG3 LYS 94 1HG LYS 94 3.334 -0.348 12.319 115 HD2 LYS 94 2HD LYS 94 5.141 -0.998 10.758 116 HD3 LYS 94 1HD LYS 94 5.769 0.650 10.809 117 HE2 LYS 94 2HE LYS 94 5.486 -1.182 13.211 118 HE3 LYS 94 1HE LYS 94 6.996 -0.844 12.362 119 HZ1 LYS 94 3HZ LYS 94 6.763 1.483 12.905 120 HZ2 LYS 94 1HZ LYS 94 6.716 0.555 14.324 121 HZ3 LYS 94 2HZ LYS 94 5.279 1.191 13.678 122 H ASP 95 H ASP 95 2.034 3.487 9.923 123 HA ASP 95 HA ASP 95 2.573 4.819 12.397 124 HB2 ASP 95 2HB ASP 95 1.749 6.212 9.855 125 HB3 ASP 95 1HB ASP 95 2.855 6.765 11.107 126 H GLN 96 H GLN 96 -0.268 3.762 10.968 127 HA GLN 96 HA GLN 96 -2.501 4.227 11.304 128 HB2 GLN 96 2HB GLN 96 -1.561 3.770 13.682 129 HB3 GLN 96 1HB GLN 96 -1.680 5.514 13.906 130 HG2 GLN 96 2HG GLN 96 -4.075 5.454 13.407 131 HG3 GLN 96 1HG GLN 96 -3.982 3.733 13.048 132 HE21 GLN 96 1HE2 GLN 96 -5.524 5.175 15.225 133 HE22 GLN 96 2HE2 GLN 96 -5.013 4.447 16.671 134 H ASN 97 H ASN 97 -0.875 6.273 9.938 135 HA ASN 97 HA ASN 97 -1.935 8.821 10.905 136 HB2 ASN 97 2HB ASN 97 -0.608 9.797 9.082 137 HB3 ASN 97 1HB ASN 97 0.371 8.737 10.098 138 HD21 ASN 97 1HD2 ASN 97 1.508 9.018 7.695 139 HD22 ASN 97 2HD2 ASN 97 1.191 7.706 6.666 140 H GLY 98 H GLY 98 -3.398 6.428 9.339 141 HA2 GLY 98 2HA GLY 98 -5.400 6.445 8.179 142 HA3 GLY 98 1HA GLY 98 -5.285 8.199 8.072 143 H TYR 99 H TYR 99 -2.376 7.302 7.023 144 HA TYR 99 HA TYR 99 -3.222 6.817 4.214 145 HB2 TYR 99 2HB TYR 99 -1.288 8.869 5.305 146 HB3 TYR 99 1HB TYR 99 -1.215 8.321 3.628 147 HD1 TYR 99 1HD TYR 99 -3.598 9.681 6.178 148 HD2 TYR 99 2HD TYR 99 -2.618 9.288 2.021 149 HE1 TYR 99 1HE TYR 99 -5.463 11.201 5.596 150 HE2 TYR 99 2HE TYR 99 -4.483 10.808 1.435 151 HH TYR 99 HH TYR 99 -6.750 11.475 2.597 152 H ILE 100 H ILE 100 -2.046 5.234 3.172 153 HA ILE 100 HA ILE 100 -0.010 3.842 4.739 154 HB ILE 100 HB ILE 100 -0.834 3.207 1.905 155 HG12 ILE 100 2HG1 ILE 100 -2.136 2.288 4.496 156 HG13 ILE 100 1HG1 ILE 100 -2.866 3.320 3.269 157 HG21 ILE 100 1HG2 ILE 100 0.012 1.030 2.409 158 HG22 ILE 100 2HG2 ILE 100 0.107 1.393 4.131 159 HG23 ILE 100 3HG2 ILE 100 1.218 2.171 3.005 160 HD11 ILE 100 3HD1 ILE 100 -2.523 1.464 1.602 161 HD12 ILE 100 1HD1 ILE 100 -3.659 1.065 2.892 162 HD13 ILE 100 2HD1 ILE 100 -2.012 0.435 2.942 163 H SER 101 H SER 101 2.119 4.139 4.528 164 HA SER 101 HA SER 101 3.084 6.025 2.477 165 HB2 SER 101 2HB SER 101 4.882 6.461 3.887 166 HB3 SER 101 1HB SER 101 3.640 6.030 5.061 167 HG SER 101 HG SER 101 5.507 4.220 3.917 168 H ALA 102 H ALA 102 5.009 5.547 1.221 169 HA ALA 102 HA ALA 102 4.933 3.114 -0.123 170 HB1 ALA 102 1HB ALA 102 6.963 3.743 -1.176 171 HB2 ALA 102 2HB ALA 102 7.475 4.703 0.212 172 HB3 ALA 102 3HB ALA 102 6.148 5.262 -0.807 173 H SER 103 H SER 103 6.953 4.068 2.646 174 HA SER 103 HA SER 103 8.496 1.718 2.795 175 HB2 SER 103 2HB SER 103 7.592 3.527 5.052 176 HB3 SER 103 1HB SER 103 8.903 2.355 5.138 177 HG SER 103 HG SER 103 10.088 3.564 3.775 178 H GLU 104 H GLU 104 5.304 2.492 4.224 179 HA GLU 104 HA GLU 104 5.076 0.117 5.703 180 HB2 GLU 104 2HB GLU 104 3.048 2.042 4.574 181 HB3 GLU 104 1HB GLU 104 2.600 0.659 5.544 182 HG2 GLU 104 2HG GLU 104 4.156 1.496 7.334 183 HG3 GLU 104 1HG GLU 104 4.367 2.954 6.378 184 H LEU 105 H LEU 105 4.225 0.942 2.354 185 HA LEU 105 HA LEU 105 2.849 -1.464 1.754 186 HB2 LEU 105 2HB LEU 105 2.588 0.419 0.283 187 HB3 LEU 105 1HB LEU 105 4.323 0.503 -0.004 188 HG LEU 105 HG LEU 105 4.286 -1.632 -1.185 189 HD11 LEU 105 1HD1 LEU 105 1.927 -2.622 -1.636 190 HD12 LEU 105 2HD1 LEU 105 1.430 -1.708 -0.210 191 HD13 LEU 105 3HD1 LEU 105 2.680 -2.948 -0.080 192 HD21 LEU 105 3HD2 LEU 105 3.839 0.152 -2.672 193 HD22 LEU 105 1HD2 LEU 105 2.211 0.392 -2.032 194 HD23 LEU 105 2HD2 LEU 105 2.574 -1.026 -3.019 195 H ARG 106 H ARG 106 6.248 -0.515 1.433 196 HA ARG 106 HA ARG 106 7.150 -2.848 0.148 197 HB2 ARG 106 2HB ARG 106 8.560 -0.906 1.989 198 HB3 ARG 106 1HB ARG 106 9.389 -2.242 1.187 199 HG2 ARG 106 2HG ARG 106 8.599 -1.392 -1.003 200 HG3 ARG 106 1HG ARG 106 7.828 -0.040 -0.190 201 HD2 ARG 106 2HD ARG 106 10.779 -0.645 0.060 202 HD3 ARG 106 1HD ARG 106 10.124 0.429 -1.173 203 HE ARG 106 HE ARG 106 9.094 1.387 1.180 204 HH11 ARG 106 1HH2 ARG 106 12.209 0.650 -0.090 205 HH12 ARG 106 2HH2 ARG 106 13.037 1.853 0.840 206 HH21 ARG 106 1HH1 ARG 106 10.158 2.977 2.421 207 HH22 ARG 106 2HH1 ARG 106 11.872 3.173 2.267 208 H HIS 107 H HIS 107 7.065 -2.060 3.634 209 HA HIS 107 HA HIS 107 8.104 -4.464 4.597 210 HB2 HIS 107 2HB HIS 107 7.626 -2.478 6.013 211 HB3 HIS 107 1HB HIS 107 5.900 -2.806 5.854 212 HD1 HIS 107 1HD HIS 107 5.250 -3.677 8.116 213 HD2 HIS 107 2HD HIS 107 8.730 -5.480 6.695 214 HE1 HIS 107 1HE HIS 107 5.830 -5.511 9.764 215 HE2 HIS 107 2HE HIS 107 7.950 -6.621 8.911 216 H VAL 108 H VAL 108 4.810 -3.663 3.626 217 HA VAL 108 HA VAL 108 3.632 -6.111 4.438 218 HB VAL 108 HB VAL 108 2.837 -4.134 2.290 219 HG11 VAL 108 1HG1 VAL 108 1.454 -6.606 3.355 220 HG12 VAL 108 2HG1 VAL 108 1.819 -6.211 1.674 221 HG13 VAL 108 3HG1 VAL 108 0.581 -5.306 2.543 222 HG21 VAL 108 3HG2 VAL 108 1.322 -3.285 3.927 223 HG22 VAL 108 1HG2 VAL 108 2.855 -3.486 4.774 224 HG23 VAL 108 2HG2 VAL 108 1.577 -4.675 4.982 225 H MET 109 H MET 109 5.098 -5.053 1.368 226 HA MET 109 HA MET 109 4.523 -7.347 -0.141 227 HB2 MET 109 2HB MET 109 6.736 -5.305 -0.239 228 HB3 MET 109 1HB MET 109 6.742 -6.679 -1.342 229 HG2 MET 109 2HG MET 109 4.368 -4.838 -1.010 230 HG3 MET 109 1HG MET 109 5.623 -4.578 -2.223 231 HE1 MET 109 3HE MET 109 2.424 -5.057 -2.500 232 HE2 MET 109 1HE MET 109 2.368 -5.972 -4.013 233 HE3 MET 109 2HE MET 109 3.450 -4.592 -3.853 234 H ILE 110 H ILE 110 7.224 -6.677 2.076 235 HA ILE 110 HA ILE 110 8.612 -9.114 1.579 236 HB ILE 110 HB ILE 110 8.627 -7.567 4.184 237 HG12 ILE 110 2HG1 ILE 110 8.974 -5.910 2.508 238 HG13 ILE 110 1HG1 ILE 110 10.567 -6.320 3.075 239 HG21 ILE 110 1HG2 ILE 110 10.937 -8.385 4.291 240 HG22 ILE 110 2HG2 ILE 110 10.771 -9.126 2.701 241 HG23 ILE 110 3HG2 ILE 110 9.844 -9.751 4.064 242 HD11 ILE 110 3HD1 ILE 110 10.758 -6.310 0.712 243 HD12 ILE 110 1HD1 ILE 110 9.216 -7.138 0.508 244 HD13 ILE 110 2HD1 ILE 110 10.619 -8.013 1.136 245 H ASN 111 H ASN 111 6.161 -8.171 3.959 246 HA ASN 111 HA ASN 111 6.139 -10.572 5.419 247 HB2 ASN 111 2HB ASN 111 4.999 -8.690 6.324 248 HB3 ASN 111 1HB ASN 111 3.982 -8.519 4.902 249 HD21 ASN 111 1HD2 ASN 111 1.890 -9.073 5.646 250 HD22 ASN 111 2HD2 ASN 111 1.524 -10.481 6.521 251 H LEU 112 H LEU 112 4.540 -9.644 2.423 252 HA LEU 112 HA LEU 112 2.987 -12.066 2.272 253 HB2 LEU 112 2HB LEU 112 3.410 -9.661 0.568 254 HB3 LEU 112 1HB LEU 112 2.917 -11.126 -0.267 255 HG LEU 112 HG LEU 112 0.991 -11.339 1.296 256 HD11 LEU 112 1HD1 LEU 112 2.002 -10.131 3.203 257 HD12 LEU 112 2HD1 LEU 112 0.436 -9.444 2.764 258 HD13 LEU 112 3HD1 LEU 112 1.920 -8.632 2.281 259 HD21 LEU 112 3HD2 LEU 112 0.779 -10.146 -0.877 260 HD22 LEU 112 1HD2 LEU 112 1.169 -8.631 -0.064 261 HD23 LEU 112 2HD2 LEU 112 -0.312 -9.496 0.346 262 H GLY 113 H GLY 113 6.213 -11.483 1.907 263 HA2 GLY 113 2HA GLY 113 7.890 -12.950 1.224 264 HA3 GLY 113 1HA GLY 113 6.641 -14.037 0.627 265 H GLU 114 H GLU 114 6.454 -10.755 -0.387 266 HA GLU 114 HA GLU 114 7.534 -11.475 -3.065 267 HB2 GLU 114 2HB GLU 114 5.234 -9.658 -2.301 268 HB3 GLU 114 1HB GLU 114 5.929 -9.732 -3.919 269 HG2 GLU 114 2HG GLU 114 5.375 -12.112 -4.079 270 HG3 GLU 114 1HG GLU 114 4.745 -12.095 -2.432 271 H LYS 115 H LYS 115 9.008 -10.084 -3.971 272 HA LYS 115 HA LYS 115 9.523 -7.496 -2.625 273 HB2 LYS 115 2HB LYS 115 12.040 -8.093 -3.066 274 HB3 LYS 115 1HB LYS 115 11.234 -8.751 -1.640 275 HG2 LYS 115 2HG LYS 115 10.926 -10.877 -2.657 276 HG3 LYS 115 1HG LYS 115 11.292 -10.253 -4.261 277 HD2 LYS 115 2HD LYS 115 13.214 -11.501 -3.390 278 HD3 LYS 115 1HD LYS 115 13.619 -9.792 -3.549 279 HE2 LYS 115 2HE LYS 115 14.301 -10.945 -1.353 280 HE3 LYS 115 1HE LYS 115 13.430 -9.419 -1.211 281 HZ1 LYS 115 3HZ LYS 115 12.009 -12.008 -1.229 282 HZ2 LYS 115 1HZ LYS 115 11.463 -10.507 -0.661 283 HZ3 LYS 115 2HZ LYS 115 12.645 -11.363 0.208 284 H LEU 116 H LEU 116 9.178 -6.020 -4.175 285 HA LEU 116 HA LEU 116 9.937 -6.652 -6.970 286 HB2 LEU 116 2HB LEU 116 8.265 -4.341 -5.954 287 HB3 LEU 116 1HB LEU 116 8.454 -4.873 -7.621 288 HG LEU 116 HG LEU 116 7.183 -6.478 -5.383 289 HD11 LEU 116 1HD1 LEU 116 5.717 -4.674 -6.097 290 HD12 LEU 116 2HD1 LEU 116 5.119 -6.186 -6.784 291 HD13 LEU 116 3HD1 LEU 116 6.019 -5.053 -7.794 292 HD21 LEU 116 3HD2 LEU 116 8.109 -8.088 -6.819 293 HD22 LEU 116 1HD2 LEU 116 7.871 -7.093 -8.256 294 HD23 LEU 116 2HD2 LEU 116 6.492 -7.884 -7.488 295 H THR 117 H THR 117 10.946 -4.840 -8.221 296 HA THR 117 HA THR 117 13.219 -3.854 -6.813 297 HB THR 117 HB THR 117 12.350 -2.660 -9.437 298 HG1 THR 117 1HG THR 117 13.682 -5.072 -9.526 299 HG21 THR 117 3HG2 THR 117 14.719 -2.743 -9.896 300 HG22 THR 117 1HG2 THR 117 15.003 -3.742 -8.470 301 HG23 THR 117 2HG2 THR 117 14.500 -2.062 -8.285 302 H ASP 118 H ASP 118 13.802 -1.496 -6.672 303 HA ASP 118 HA ASP 118 11.837 -0.062 -5.252 304 HB2 ASP 118 2HB ASP 118 14.438 0.790 -6.529 305 HB3 ASP 118 1HB ASP 118 13.423 1.908 -5.618 306 H GLU 119 H GLU 119 12.840 0.073 -8.646 307 HA GLU 119 HA GLU 119 11.291 2.354 -9.332 308 HB2 GLU 119 2HB GLU 119 12.345 0.061 -11.004 309 HB3 GLU 119 1HB GLU 119 11.518 1.466 -11.682 310 HG2 GLU 119 2HG GLU 119 13.197 2.961 -10.737 311 HG3 GLU 119 1HG GLU 119 13.994 1.607 -9.929 312 H GLU 120 H GLU 120 10.525 -1.083 -9.037 313 HA GLU 120 HA GLU 120 8.013 -0.910 -10.404 314 HB2 GLU 120 2HB GLU 120 9.343 -2.909 -8.580 315 HB3 GLU 120 1HB GLU 120 7.635 -3.094 -8.978 316 HG2 GLU 120 2HG GLU 120 9.203 -4.326 -10.508 317 HG3 GLU 120 1HG GLU 120 8.124 -3.204 -11.316 318 H VAL 121 H VAL 121 8.949 -0.946 -6.971 319 HA VAL 121 HA VAL 121 6.316 -0.614 -5.973 320 HB VAL 121 HB VAL 121 8.983 0.130 -4.740 321 HG11 VAL 121 1HG1 VAL 121 7.577 -0.035 -2.588 322 HG12 VAL 121 2HG1 VAL 121 6.168 0.120 -3.638 323 HG13 VAL 121 3HG1 VAL 121 7.361 1.415 -3.567 324 HG21 VAL 121 3HG2 VAL 121 8.791 -2.245 -5.140 325 HG22 VAL 121 1HG2 VAL 121 7.148 -2.274 -4.500 326 HG23 VAL 121 2HG2 VAL 121 8.512 -1.969 -3.422 327 H GLU 122 H GLU 122 8.892 1.762 -6.655 328 HA GLU 122 HA GLU 122 7.526 4.050 -5.814 329 HB2 GLU 122 2HB GLU 122 9.951 3.908 -6.506 330 HB3 GLU 122 1HB GLU 122 9.404 3.917 -8.183 331 HG2 GLU 122 2HG GLU 122 9.906 6.194 -7.622 332 HG3 GLU 122 1HG GLU 122 8.151 6.062 -7.637 333 H GLN 123 H GLN 123 7.409 2.313 -8.892 334 HA GLN 123 HA GLN 123 5.769 4.231 -10.227 335 HB2 GLN 123 2HB GLN 123 6.438 1.332 -10.723 336 HB3 GLN 123 1HB GLN 123 5.218 2.154 -11.701 337 HG2 GLN 123 2HG GLN 123 6.839 3.865 -12.346 338 HG3 GLN 123 1HG GLN 123 8.062 3.140 -11.312 339 HE21 GLN 123 1HE2 GLN 123 7.672 3.439 -14.428 340 HE22 GLN 123 2HE2 GLN 123 8.050 1.884 -14.996 341 H MET 124 H MET 124 5.059 1.380 -8.239 342 HA MET 124 HA MET 124 2.301 1.265 -8.769 343 HB2 MET 124 2HB MET 124 3.682 -0.512 -7.647 344 HB3 MET 124 1HB MET 124 3.704 0.496 -6.200 345 HG2 MET 124 2HG MET 124 1.282 0.434 -6.066 346 HG3 MET 124 1HG MET 124 1.192 -0.455 -7.585 347 HE1 MET 124 3HE MET 124 2.561 -2.598 -7.992 348 HE2 MET 124 1HE MET 124 0.878 -2.983 -7.604 349 HE3 MET 124 2HE MET 124 2.185 -3.951 -6.927 350 H ILE 125 H ILE 125 4.161 2.973 -6.255 351 HA ILE 125 HA ILE 125 1.937 4.040 -4.874 352 HB ILE 125 HB ILE 125 4.714 5.210 -5.219 353 HG12 ILE 125 2HG1 ILE 125 4.841 2.943 -4.333 354 HG13 ILE 125 1HG1 ILE 125 5.181 4.077 -3.039 355 HG21 ILE 125 1HG2 ILE 125 3.450 6.942 -4.285 356 HG22 ILE 125 2HG2 ILE 125 4.070 6.123 -2.852 357 HG23 ILE 125 3HG2 ILE 125 2.419 5.839 -3.386 358 HD11 ILE 125 3HD1 ILE 125 2.738 2.380 -3.484 359 HD12 ILE 125 1HD1 ILE 125 2.605 3.877 -2.562 360 HD13 ILE 125 2HD1 ILE 125 3.683 2.604 -2.018 361 H LYS 126 H LYS 126 3.944 5.378 -7.447 362 HA LYS 126 HA LYS 126 2.511 7.805 -7.720 363 HB2 LYS 126 2HB LYS 126 4.226 6.297 -9.654 364 HB3 LYS 126 1HB LYS 126 3.600 7.909 -9.974 365 HG2 LYS 126 2HG LYS 126 4.683 8.626 -7.784 366 HG3 LYS 126 1HG LYS 126 5.486 7.059 -7.766 367 HD2 LYS 126 2HD LYS 126 5.690 9.093 -10.006 368 HD3 LYS 126 1HD LYS 126 6.922 8.812 -8.777 369 HE2 LYS 126 2HE LYS 126 6.857 6.343 -9.551 370 HE3 LYS 126 1HE LYS 126 6.008 6.953 -10.970 371 HZ1 LYS 126 3HZ LYS 126 7.829 7.992 -11.742 372 HZ2 LYS 126 1HZ LYS 126 8.632 6.803 -10.837 373 HZ3 LYS 126 2HZ LYS 126 8.429 8.363 -10.194 374 H GLU 127 H GLU 127 2.259 4.726 -9.438 375 HA GLU 127 HA GLU 127 0.228 5.550 -11.232 376 HB2 GLU 127 2HB GLU 127 1.701 3.530 -11.463 377 HB3 GLU 127 1HB GLU 127 0.721 2.762 -10.227 378 HG2 GLU 127 2HG GLU 127 -1.286 3.004 -11.590 379 HG3 GLU 127 1HG GLU 127 -0.379 3.892 -12.812 380 H ALA 128 H ALA 128 0.165 4.071 -8.043 381 HA ALA 128 HA ALA 128 -2.689 3.670 -8.062 382 HB1 ALA 128 1HB ALA 128 -0.817 3.715 -5.686 383 HB2 ALA 128 2HB ALA 128 -1.135 2.300 -6.686 384 HB3 ALA 128 3HB ALA 128 -2.442 3.026 -5.741 385 H ASP 129 H ASP 129 -0.555 6.241 -7.047 386 HA ASP 129 HA ASP 129 -2.499 7.581 -5.453 387 HB2 ASP 129 2HB ASP 129 -0.011 7.807 -5.268 388 HB3 ASP 129 1HB ASP 129 -0.052 8.815 -6.696 389 H LEU 130 H LEU 130 -4.224 8.535 -6.219 390 HA LEU 130 HA LEU 130 -4.298 9.428 -8.971 391 HB2 LEU 130 2HB LEU 130 -6.265 8.287 -8.040 392 HB3 LEU 130 1HB LEU 130 -6.431 9.546 -6.818 393 HG LEU 130 HG LEU 130 -6.828 11.225 -8.582 394 HD11 LEU 130 1HD1 LEU 130 -5.634 10.547 -10.477 395 HD12 LEU 130 2HD1 LEU 130 -7.286 10.157 -10.944 396 HD13 LEU 130 3HD1 LEU 130 -6.209 8.882 -10.370 397 HD21 LEU 130 3HD2 LEU 130 -8.977 10.187 -9.519 398 HD22 LEU 130 1HD2 LEU 130 -8.824 10.221 -7.762 399 HD23 LEU 130 2HD2 LEU 130 -8.522 8.724 -8.644 400 H ASP 131 H ASP 131 -3.945 10.839 -5.806 401 HA ASP 131 HA ASP 131 -4.356 13.554 -6.890 402 HB2 ASP 131 2HB ASP 131 -4.301 14.266 -4.544 403 HB3 ASP 131 1HB ASP 131 -5.523 13.023 -4.813 404 H GLY 132 H GLY 132 -1.865 11.575 -7.041 405 HA2 GLY 132 2HA GLY 132 0.437 11.781 -6.896 406 HA3 GLY 132 1HA GLY 132 0.105 13.419 -7.453 407 H ASP 133 H ASP 133 -1.113 12.341 -4.347 408 HA ASP 133 HA ASP 133 0.251 14.462 -2.992 409 HB2 ASP 133 2HB ASP 133 -0.828 13.641 -0.996 410 HB3 ASP 133 1HB ASP 133 -1.990 13.583 -2.320 411 H GLY 134 H GLY 134 1.076 11.268 -3.828 412 HA2 GLY 134 2HA GLY 134 3.254 10.371 -3.639 413 HA3 GLY 134 1HA GLY 134 3.565 11.465 -2.294 414 H GLN 135 H GLN 135 0.658 10.509 -1.501 415 HA GLN 135 HA GLN 135 1.578 8.103 -0.039 416 HB2 GLN 135 2HB GLN 135 0.138 10.584 0.738 417 HB3 GLN 135 1HB GLN 135 -0.472 9.101 1.435 418 HG2 GLN 135 2HG GLN 135 1.558 8.597 2.487 419 HG3 GLN 135 1HG GLN 135 2.456 9.748 1.497 420 HE21 GLN 135 1HE2 GLN 135 2.871 10.105 4.156 421 HE22 GLN 135 2HE2 GLN 135 1.980 11.419 4.757 422 H VAL 136 H VAL 136 0.310 6.315 -0.061 423 HA VAL 136 HA VAL 136 -1.867 6.265 -2.003 424 HB VAL 136 HB VAL 136 -0.672 4.138 -0.195 425 HG11 VAL 136 1HG1 VAL 136 -2.960 3.511 -0.566 426 HG12 VAL 136 2HG1 VAL 136 -1.996 2.580 -1.710 427 HG13 VAL 136 3HG1 VAL 136 -2.885 4.002 -2.259 428 HG21 VAL 136 3HG2 VAL 136 0.654 5.064 -2.147 429 HG22 VAL 136 1HG2 VAL 136 -0.585 4.399 -3.206 430 HG23 VAL 136 2HG2 VAL 136 0.373 3.325 -2.187 431 H ASN 137 H ASN 137 -3.889 6.914 -1.408 432 HA ASN 137 HA ASN 137 -4.629 6.863 1.439 433 HB2 ASN 137 2HB ASN 137 -5.048 8.923 0.135 434 HB3 ASN 137 1HB ASN 137 -6.097 8.013 -0.952 435 HD21 ASN 137 1HD2 ASN 137 -5.743 8.449 2.628 436 HD22 ASN 137 2HD2 ASN 137 -7.409 8.598 2.910 437 H TYR 138 H TYR 138 -6.886 6.105 1.960 438 HA TYR 138 HA TYR 138 -7.226 3.417 1.434 439 HB2 TYR 138 2HB TYR 138 -8.422 4.615 3.218 440 HB3 TYR 138 1HB TYR 138 -9.410 5.437 2.007 441 HD1 TYR 138 1HD TYR 138 -8.559 2.115 3.446 442 HD2 TYR 138 2HD TYR 138 -11.253 4.342 0.953 443 HE1 TYR 138 1HE TYR 138 -10.109 0.186 3.400 444 HE2 TYR 138 2HE TYR 138 -12.805 2.413 0.905 445 HH TYR 138 HH TYR 138 -13.279 0.396 2.452 446 H GLU 139 H GLU 139 -8.880 6.123 -0.275 447 HA GLU 139 HA GLU 139 -10.398 4.539 -1.996 448 HB2 GLU 139 2HB GLU 139 -10.802 6.504 -3.216 449 HB3 GLU 139 1HB GLU 139 -10.469 7.087 -1.594 450 HG2 GLU 139 2HG GLU 139 -8.028 7.319 -2.363 451 HG3 GLU 139 1HG GLU 139 -8.656 7.107 -4.001 452 H GLU 140 H GLU 140 -7.076 5.756 -2.375 453 HA GLU 140 HA GLU 140 -6.778 4.730 -5.004 454 HB2 GLU 140 2HB GLU 140 -4.729 5.523 -2.954 455 HB3 GLU 140 1HB GLU 140 -4.356 5.084 -4.587 456 HG2 GLU 140 2HG GLU 140 -5.472 6.946 -5.501 457 HG3 GLU 140 1HG GLU 140 -6.380 7.220 -4.040 458 H PHE 141 H PHE 141 -6.066 3.477 -1.762 459 HA PHE 141 HA PHE 141 -4.671 1.179 -2.600 460 HB2 PHE 141 2HB PHE 141 -4.744 2.022 -0.251 461 HB3 PHE 141 1HB PHE 141 -6.423 1.495 -0.143 462 HD1 PHE 141 2HD PHE 141 -3.079 0.136 -1.202 463 HD2 PHE 141 1HD PHE 141 -6.824 -0.625 0.766 464 HE1 PHE 141 2HE PHE 141 -2.315 -2.153 -0.631 465 HE2 PHE 141 1HE PHE 141 -6.060 -2.910 1.333 466 HZ PHE 141 HZ PHE 141 -3.805 -3.677 0.630 467 H VAL 142 H VAL 142 -8.084 1.525 -1.608 468 HA VAL 142 HA VAL 142 -8.880 -1.075 -2.272 469 HB VAL 142 HB VAL 142 -10.249 0.532 -0.962 470 HG11 VAL 142 1HG1 VAL 142 -9.747 2.413 -2.542 471 HG12 VAL 142 2HG1 VAL 142 -11.411 2.322 -2.011 472 HG13 VAL 142 3HG1 VAL 142 -10.962 1.764 -3.624 473 HG21 VAL 142 3HG2 VAL 142 -11.193 -1.504 -2.218 474 HG22 VAL 142 1HG2 VAL 142 -11.774 -0.353 -3.422 475 HG23 VAL 142 2HG2 VAL 142 -12.351 -0.255 -1.758 476 H LYS 143 H LYS 143 -8.805 1.875 -4.210 477 HA LYS 143 HA LYS 143 -9.957 0.824 -6.561 478 HB2 LYS 143 2HB LYS 143 -9.583 3.221 -6.104 479 HB3 LYS 143 1HB LYS 143 -7.848 2.978 -6.268 480 HG2 LYS 143 2HG LYS 143 -8.179 2.210 -8.588 481 HG3 LYS 143 1HG LYS 143 -9.917 2.456 -8.423 482 HD2 LYS 143 2HD LYS 143 -9.539 4.856 -7.987 483 HD3 LYS 143 1HD LYS 143 -7.801 4.611 -8.154 484 HE2 LYS 143 2HE LYS 143 -8.982 5.480 -10.236 485 HE3 LYS 143 1HE LYS 143 -8.017 4.022 -10.467 486 HZ1 LYS 143 3HZ LYS 143 -10.854 3.765 -9.757 487 HZ2 LYS 143 1HZ LYS 143 -9.867 2.711 -10.646 488 HZ3 LYS 143 2HZ LYS 143 -10.436 4.143 -11.360 489 H MET 144 H MET 144 -6.553 1.152 -5.570 490 HA MET 144 HA MET 144 -5.398 -0.110 -7.828 491 HB2 MET 144 2HB MET 144 -4.118 1.197 -6.151 492 HB3 MET 144 1HB MET 144 -4.376 -0.092 -4.994 493 HG2 MET 144 2HG MET 144 -3.186 -1.677 -6.493 494 HG3 MET 144 1HG MET 144 -2.892 -0.361 -7.629 495 HE1 MET 144 3HE MET 144 -1.922 -2.264 -4.617 496 HE2 MET 144 1HE MET 144 -2.634 -0.952 -3.669 497 HE3 MET 144 2HE MET 144 -0.894 -1.232 -3.627 498 H MET 145 H MET 145 -6.601 -1.279 -4.768 499 HA MET 145 HA MET 145 -5.728 -3.974 -5.071 500 HB2 MET 145 2HB MET 145 -6.422 -3.041 -2.886 501 HB3 MET 145 1HB MET 145 -8.083 -2.943 -3.469 502 HG2 MET 145 2HG MET 145 -8.130 -5.382 -3.806 503 HG3 MET 145 1HG MET 145 -6.451 -5.497 -3.278 504 HE1 MET 145 3HE MET 145 -5.680 -4.381 -0.946 505 HE2 MET 145 1HE MET 145 -5.838 -6.141 -1.022 506 HE3 MET 145 2HE MET 145 -6.406 -5.262 0.395 507 H MET 146 H MET 146 -8.674 -2.263 -6.002 508 HA MET 146 HA MET 146 -10.136 -4.533 -6.851 509 HB2 MET 146 2HB MET 146 -10.279 -1.595 -7.506 510 HB3 MET 146 1HB MET 146 -11.322 -2.758 -8.324 511 HG2 MET 146 2HG MET 146 -12.271 -3.488 -6.224 512 HG3 MET 146 1HG MET 146 -11.117 -2.523 -5.308 513 HE1 MET 146 3HE MET 146 -13.877 -2.750 -7.747 514 HE2 MET 146 1HE MET 146 -13.184 -1.404 -8.661 515 HE3 MET 146 2HE MET 146 -14.697 -1.192 -7.786 516 H THR 147 H THR 147 -7.786 -2.435 -8.446 517 HA THR 147 HA THR 147 -8.135 -3.371 -11.077 518 HB THR 147 HB THR 147 -5.633 -2.327 -9.726 519 HG1 THR 147 1HG THR 147 -7.526 -1.014 -11.373 520 HG21 THR 147 3HG2 THR 147 -6.363 -2.729 -12.637 521 HG22 THR 147 1HG2 THR 147 -5.004 -3.439 -11.765 522 HG23 THR 147 2HG2 THR 147 -5.027 -1.709 -12.104 523 H VAL 148 H VAL 148 -5.333 -4.153 -9.016 524 HA VAL 148 HA VAL 148 -4.682 -6.486 -10.476 525 HB VAL 148 HB VAL 148 -3.851 -5.589 -7.711 526 HG11 VAL 148 1HG1 VAL 148 -2.832 -7.816 -9.493 527 HG12 VAL 148 2HG1 VAL 148 -3.466 -7.963 -7.854 528 HG13 VAL 148 3HG1 VAL 148 -1.917 -7.168 -8.131 529 HG21 VAL 148 3HG2 VAL 148 -3.264 -4.122 -9.691 530 HG22 VAL 148 1HG2 VAL 148 -2.355 -5.483 -10.348 531 HG23 VAL 148 2HG2 VAL 148 -1.869 -4.755 -8.818 532 H ARG 149 H ARG 149 -6.370 -5.995 -7.399 533 HA ARG 149 HA ARG 149 -7.600 -7.468 -6.090 534 HB2 ARG 149 2HB ARG 149 -9.004 -7.144 -8.188 535 HB3 ARG 149 1HB ARG 149 -8.365 -8.689 -8.747 536 HG2 ARG 149 2HG ARG 149 -9.244 -9.802 -6.740 537 HG3 ARG 149 1HG ARG 149 -9.847 -8.260 -6.133 538 HD2 ARG 149 2HD ARG 149 -11.676 -9.464 -7.193 539 HD3 ARG 149 1HD ARG 149 -11.270 -8.058 -8.171 540 HE ARG 149 HE ARG 149 -9.828 -10.363 -9.049 541 HH11 ARG 149 1HH2 ARG 149 -12.922 -8.833 -9.018 542 HH12 ARG 149 2HH2 ARG 149 -13.451 -9.549 -10.504 543 HH21 ARG 149 1HH1 ARG 149 -10.506 -11.314 -11.005 544 HH22 ARG 149 2HH1 ARG 149 -12.081 -10.955 -11.630 Start of MODEL 2 1 H1 ASP 80 1HT ASP 80 -18.335 -8.199 6.945 2 H2 ASP 80 2HT ASP 80 -17.554 -6.697 7.077 3 H3 ASP 80 3HT ASP 80 -16.707 -8.049 6.495 4 HA ASP 80 HA ASP 80 -18.463 -8.104 4.650 5 HB2 ASP 80 2HB ASP 80 -18.754 -5.321 5.797 6 HB3 ASP 80 1HB ASP 80 -19.275 -5.753 4.169 7 H ALA 81 H ALA 81 -17.888 -6.770 2.624 8 HA ALA 81 HA ALA 81 -15.151 -6.926 2.155 9 HB1 ALA 81 1HB ALA 81 -15.554 -5.840 0.082 10 HB2 ALA 81 2HB ALA 81 -16.941 -4.956 0.722 11 HB3 ALA 81 3HB ALA 81 -17.053 -6.696 0.445 12 H GLU 82 H GLU 82 -17.097 -4.027 2.958 13 HA GLU 82 HA GLU 82 -14.930 -2.234 2.960 14 HB2 GLU 82 2HB GLU 82 -17.375 -1.619 2.906 15 HB3 GLU 82 1HB GLU 82 -17.449 -2.019 4.623 16 HG2 GLU 82 2HG GLU 82 -17.052 0.333 4.476 17 HG3 GLU 82 1HG GLU 82 -15.543 -0.409 4.972 18 H GLU 83 H GLU 83 -16.151 -4.466 5.352 19 HA GLU 83 HA GLU 83 -14.772 -3.363 7.593 20 HB2 GLU 83 2HB GLU 83 -16.665 -5.090 7.639 21 HB3 GLU 83 1HB GLU 83 -15.421 -6.285 7.265 22 HG2 GLU 83 2HG GLU 83 -15.159 -4.354 9.587 23 HG3 GLU 83 1HG GLU 83 -15.921 -5.915 9.736 24 H GLU 84 H GLU 84 -14.053 -6.421 5.904 25 HA GLU 84 HA GLU 84 -11.505 -6.826 6.796 26 HB2 GLU 84 2HB GLU 84 -12.582 -7.340 4.011 27 HB3 GLU 84 1HB GLU 84 -11.063 -7.994 4.626 28 HG2 GLU 84 2HG GLU 84 -12.259 -9.129 6.436 29 HG3 GLU 84 1HG GLU 84 -13.782 -8.440 5.891 30 H LEU 85 H LEU 85 -12.439 -4.764 4.016 31 HA LEU 85 HA LEU 85 -9.811 -4.044 3.288 32 HB2 LEU 85 2HB LEU 85 -12.454 -2.617 2.945 33 HB3 LEU 85 1HB LEU 85 -10.946 -2.032 2.247 34 HG LEU 85 HG LEU 85 -12.013 -4.829 1.775 35 HD11 LEU 85 1HD1 LEU 85 -13.623 -3.159 0.932 36 HD12 LEU 85 2HD1 LEU 85 -12.826 -4.002 -0.397 37 HD13 LEU 85 3HD1 LEU 85 -12.327 -2.366 0.036 38 HD21 LEU 85 3HD2 LEU 85 -10.492 -4.377 -0.354 39 HD22 LEU 85 1HD2 LEU 85 -9.763 -4.897 1.160 40 HD23 LEU 85 2HD2 LEU 85 -9.721 -3.197 0.701 41 H LYS 86 H LYS 86 -12.130 -2.485 5.499 42 HA LYS 86 HA LYS 86 -10.465 -0.294 6.147 43 HB2 LYS 86 2HB LYS 86 -12.740 -1.626 7.619 44 HB3 LYS 86 1HB LYS 86 -11.900 -0.214 8.253 45 HG2 LYS 86 2HG LYS 86 -12.907 -0.146 5.408 46 HG3 LYS 86 1HG LYS 86 -14.063 0.077 6.720 47 HD2 LYS 86 2HD LYS 86 -11.511 1.670 6.862 48 HD3 LYS 86 1HD LYS 86 -12.699 2.153 5.654 49 HE2 LYS 86 2HE LYS 86 -12.865 3.201 8.023 50 HE3 LYS 86 1HE LYS 86 -14.345 2.605 7.274 51 HZ1 LYS 86 3HZ LYS 86 -12.677 1.208 9.294 52 HZ2 LYS 86 1HZ LYS 86 -13.968 0.480 8.469 53 HZ3 LYS 86 2HZ LYS 86 -14.257 1.798 9.499 54 H GLU 87 H GLU 87 -10.852 -3.498 7.621 55 HA GLU 87 HA GLU 87 -9.102 -3.022 9.796 56 HB2 GLU 87 2HB GLU 87 -10.755 -4.945 9.531 57 HB3 GLU 87 1HB GLU 87 -9.568 -5.702 8.464 58 HG2 GLU 87 2HG GLU 87 -8.888 -4.775 11.272 59 HG3 GLU 87 1HG GLU 87 -9.459 -6.401 10.916 60 H ALA 88 H ALA 88 -8.547 -4.751 6.717 61 HA ALA 88 HA ALA 88 -5.836 -5.253 7.022 62 HB1 ALA 88 1HB ALA 88 -6.973 -4.387 4.368 63 HB2 ALA 88 2HB ALA 88 -7.434 -5.924 5.098 64 HB3 ALA 88 3HB ALA 88 -5.748 -5.608 4.703 65 H PHE 89 H PHE 89 -7.421 -2.328 5.749 66 HA PHE 89 HA PHE 89 -5.134 -0.886 5.056 67 HB2 PHE 89 2HB PHE 89 -7.442 -0.171 4.517 68 HB3 PHE 89 1HB PHE 89 -7.701 0.207 6.224 69 HD1 PHE 89 1HD PHE 89 -6.356 2.011 7.325 70 HD2 PHE 89 2HD PHE 89 -6.162 1.282 3.098 71 HE1 PHE 89 1HE PHE 89 -5.308 4.235 6.986 72 HE2 PHE 89 2HE PHE 89 -5.122 3.503 2.761 73 HZ PHE 89 HZ PHE 89 -4.689 4.970 4.703 74 H LYS 90 H LYS 90 -6.848 -1.047 8.169 75 HA LYS 90 HA LYS 90 -5.229 0.760 9.574 76 HB2 LYS 90 2HB LYS 90 -6.836 -1.626 10.486 77 HB3 LYS 90 1HB LYS 90 -5.978 -0.578 11.613 78 HG2 LYS 90 2HG LYS 90 -7.226 1.368 10.766 79 HG3 LYS 90 1HG LYS 90 -8.069 0.339 9.617 80 HD2 LYS 90 2HD LYS 90 -9.006 -0.982 11.490 81 HD3 LYS 90 1HD LYS 90 -8.180 0.078 12.633 82 HE2 LYS 90 2HE LYS 90 -9.444 2.008 11.771 83 HE3 LYS 90 1HE LYS 90 -10.262 0.961 10.612 84 HZ1 LYS 90 3HZ LYS 90 -10.584 1.129 13.519 85 HZ2 LYS 90 1HZ LYS 90 -10.816 -0.378 12.775 86 HZ3 LYS 90 2HZ LYS 90 -11.763 0.953 12.307 87 H VAL 91 H VAL 91 -4.737 -2.631 8.761 88 HA VAL 91 HA VAL 91 -2.544 -3.039 10.555 89 HB VAL 91 HB VAL 91 -3.308 -4.515 8.025 90 HG11 VAL 91 1HG1 VAL 91 -1.910 -6.337 9.102 91 HG12 VAL 91 2HG1 VAL 91 -1.301 -5.106 10.210 92 HG13 VAL 91 3HG1 VAL 91 -0.995 -4.965 8.479 93 HG21 VAL 91 3HG2 VAL 91 -4.947 -4.455 9.978 94 HG22 VAL 91 1HG2 VAL 91 -3.715 -5.290 10.923 95 HG23 VAL 91 2HG2 VAL 91 -4.405 -6.063 9.496 96 H PHE 92 H PHE 92 -2.733 -2.259 7.088 97 HA PHE 92 HA PHE 92 0.088 -2.111 6.690 98 HB2 PHE 92 2HB PHE 92 -1.915 -0.505 5.105 99 HB3 PHE 92 1HB PHE 92 -0.372 -1.168 4.569 100 HD1 PHE 92 2HD PHE 92 -0.574 -3.950 5.711 101 HD2 PHE 92 1HD PHE 92 -3.454 -1.537 3.636 102 HE1 PHE 92 2HE PHE 92 -1.722 -5.984 4.969 103 HE2 PHE 92 1HE PHE 92 -4.622 -3.592 2.900 104 HZ PHE 92 HZ PHE 92 -3.745 -5.820 3.555 105 H ASP 93 H ASP 93 -2.303 0.216 7.750 106 HA ASP 93 HA ASP 93 -0.549 2.472 7.562 107 HB2 ASP 93 2HB ASP 93 -3.100 2.507 7.634 108 HB3 ASP 93 1HB ASP 93 -2.954 2.238 9.369 109 H LYS 94 H LYS 94 1.176 0.922 8.694 110 HA LYS 94 HA LYS 94 1.147 0.368 11.405 111 HB2 LYS 94 2HB LYS 94 2.972 -0.273 9.824 112 HB3 LYS 94 1HB LYS 94 3.546 1.394 9.866 113 HG2 LYS 94 2HG LYS 94 3.921 1.239 12.280 114 HG3 LYS 94 1HG LYS 94 3.271 -0.402 12.295 115 HD2 LYS 94 2HD LYS 94 5.078 -1.128 10.771 116 HD3 LYS 94 1HD LYS 94 5.736 0.509 10.776 117 HE2 LYS 94 2HE LYS 94 6.095 0.369 13.207 118 HE3 LYS 94 1HE LYS 94 5.414 -1.258 13.222 119 HZ1 LYS 94 3HZ LYS 94 7.287 -2.132 12.416 120 HZ2 LYS 94 1HZ LYS 94 8.025 -0.684 12.902 121 HZ3 LYS 94 2HZ LYS 94 7.520 -0.879 11.292 122 H ASP 95 H ASP 95 2.131 3.420 9.833 123 HA ASP 95 HA ASP 95 2.707 4.764 12.278 124 HB2 ASP 95 2HB ASP 95 1.891 6.154 9.731 125 HB3 ASP 95 1HB ASP 95 3.025 6.690 10.965 126 H GLN 96 H GLN 96 -0.168 3.703 11.001 127 HA GLN 96 HA GLN 96 -2.380 4.249 11.324 128 HB2 GLN 96 2HB GLN 96 -1.382 3.835 13.710 129 HB3 GLN 96 1HB GLN 96 -1.523 5.581 13.898 130 HG2 GLN 96 2HG GLN 96 -3.552 4.609 14.757 131 HG3 GLN 96 1HG GLN 96 -3.958 5.363 13.220 132 HE21 GLN 96 1HE2 GLN 96 -5.634 3.977 12.509 133 HE22 GLN 96 2HE2 GLN 96 -5.422 2.313 12.250 134 H ASN 97 H ASN 97 -0.591 6.289 10.034 135 HA ASN 97 HA ASN 97 -1.588 8.855 10.927 136 HB2 ASN 97 2HB ASN 97 -0.364 9.729 8.952 137 HB3 ASN 97 1HB ASN 97 0.648 8.733 9.999 138 HD21 ASN 97 1HD2 ASN 97 1.709 8.812 7.559 139 HD22 ASN 97 2HD2 ASN 97 1.331 7.442 6.631 140 H GLY 98 H GLY 98 -3.101 6.436 9.339 141 HA2 GLY 98 2HA GLY 98 -5.214 6.510 8.346 142 HA3 GLY 98 1HA GLY 98 -5.057 8.257 8.191 143 H TYR 99 H TYR 99 -2.221 7.240 7.032 144 HA TYR 99 HA TYR 99 -3.202 6.702 4.280 145 HB2 TYR 99 2HB TYR 99 -1.162 8.740 5.181 146 HB3 TYR 99 1HB TYR 99 -1.279 8.169 3.517 147 HD1 TYR 99 1HD TYR 99 -3.146 9.856 6.251 148 HD2 TYR 99 2HD TYR 99 -3.018 8.913 2.069 149 HE1 TYR 99 1HE TYR 99 -5.028 11.415 5.842 150 HE2 TYR 99 2HE TYR 99 -4.897 10.472 1.658 151 HH TYR 99 HH TYR 99 -6.464 11.759 2.608 152 H ILE 100 H ILE 100 -2.044 5.114 3.194 153 HA ILE 100 HA ILE 100 -0.000 3.703 4.728 154 HB ILE 100 HB ILE 100 -0.842 3.111 1.887 155 HG12 ILE 100 2HG1 ILE 100 -2.121 2.112 4.460 156 HG13 ILE 100 1HG1 ILE 100 -2.854 3.233 3.317 157 HG21 ILE 100 1HG2 ILE 100 0.114 1.272 4.090 158 HG22 ILE 100 2HG2 ILE 100 1.206 2.045 2.941 159 HG23 ILE 100 3HG2 ILE 100 -0.018 0.913 2.367 160 HD11 ILE 100 3HD1 ILE 100 -2.599 1.482 1.532 161 HD12 ILE 100 1HD1 ILE 100 -3.702 1.017 2.828 162 HD13 ILE 100 2HD1 ILE 100 -2.067 0.361 2.786 163 H SER 101 H SER 101 2.101 4.130 4.590 164 HA SER 101 HA SER 101 3.074 5.995 2.547 165 HB2 SER 101 2HB SER 101 4.912 6.360 3.942 166 HB3 SER 101 1HB SER 101 3.640 5.994 5.104 167 HG SER 101 HG SER 101 5.688 4.309 4.114 168 H ALA 102 H ALA 102 4.950 5.551 1.237 169 HA ALA 102 HA ALA 102 4.885 3.115 -0.118 170 HB1 ALA 102 1HB ALA 102 6.025 5.322 -0.809 171 HB2 ALA 102 2HB ALA 102 6.821 3.816 -1.266 172 HB3 ALA 102 3HB ALA 102 7.413 4.742 0.113 173 H SER 103 H SER 103 6.975 4.134 2.578 174 HA SER 103 HA SER 103 8.595 1.838 2.678 175 HB2 SER 103 2HB SER 103 7.691 3.610 4.966 176 HB3 SER 103 1HB SER 103 9.041 2.480 5.015 177 HG SER 103 HG SER 103 10.055 3.690 3.418 178 H GLU 104 H GLU 104 5.418 2.500 4.214 179 HA GLU 104 HA GLU 104 5.316 0.100 5.670 180 HB2 GLU 104 2HB GLU 104 3.219 2.016 4.666 181 HB3 GLU 104 1HB GLU 104 2.809 0.590 5.585 182 HG2 GLU 104 2HG GLU 104 4.382 1.364 7.379 183 HG3 GLU 104 1HG GLU 104 4.582 2.858 6.479 184 H LEU 105 H LEU 105 4.348 0.951 2.365 185 HA LEU 105 HA LEU 105 2.970 -1.445 1.760 186 HB2 LEU 105 2HB LEU 105 2.734 0.475 0.312 187 HB3 LEU 105 1HB LEU 105 4.465 0.491 -0.019 188 HG LEU 105 HG LEU 105 4.312 -1.645 -1.195 189 HD11 LEU 105 1HD1 LEU 105 2.676 -2.898 -0.065 190 HD12 LEU 105 2HD1 LEU 105 1.880 -2.518 -1.592 191 HD13 LEU 105 3HD1 LEU 105 1.485 -1.599 -0.135 192 HD21 LEU 105 3HD2 LEU 105 2.137 0.302 -2.046 193 HD22 LEU 105 1HD2 LEU 105 2.797 -0.984 -3.061 194 HD23 LEU 105 2HD2 LEU 105 3.832 0.344 -2.534 195 H ARG 106 H ARG 106 6.378 -0.528 1.473 196 HA ARG 106 HA ARG 106 7.255 -2.867 0.148 197 HB2 ARG 106 2HB ARG 106 8.723 -0.974 2.007 198 HB3 ARG 106 1HB ARG 106 9.504 -2.260 1.085 199 HG2 ARG 106 2HG ARG 106 8.709 -1.297 -1.012 200 HG3 ARG 106 1HG ARG 106 7.825 -0.054 -0.134 201 HD2 ARG 106 2HD ARG 106 9.967 0.779 0.801 202 HD3 ARG 106 1HD ARG 106 10.833 -0.447 -0.122 203 HE ARG 106 HE ARG 106 9.622 1.988 -1.173 204 HH11 ARG 106 1HH2 ARG 106 10.843 -1.182 -1.767 205 HH12 ARG 106 2HH2 ARG 106 11.213 -0.889 -3.432 206 HH21 ARG 106 1HH1 ARG 106 10.102 2.399 -3.366 207 HH22 ARG 106 2HH1 ARG 106 10.793 1.144 -4.339 208 H HIS 107 H HIS 107 7.083 -2.058 3.619 209 HA HIS 107 HA HIS 107 8.144 -4.465 4.607 210 HB2 HIS 107 2HB HIS 107 7.707 -2.471 6.012 211 HB3 HIS 107 1HB HIS 107 5.974 -2.763 5.864 212 HD1 HIS 107 1HD HIS 107 5.457 -3.468 8.247 213 HD2 HIS 107 2HD HIS 107 8.614 -5.632 6.595 214 HE1 HIS 107 1HE HIS 107 5.972 -5.338 9.875 215 HE2 HIS 107 2HE HIS 107 7.894 -6.668 8.882 216 H VAL 108 H VAL 108 4.816 -3.599 3.727 217 HA VAL 108 HA VAL 108 3.621 -6.030 4.535 218 HB VAL 108 HB VAL 108 2.819 -4.056 2.382 219 HG11 VAL 108 1HG1 VAL 108 0.544 -5.140 2.713 220 HG12 VAL 108 2HG1 VAL 108 1.374 -6.432 3.580 221 HG13 VAL 108 3HG1 VAL 108 1.729 -6.143 1.876 222 HG21 VAL 108 3HG2 VAL 108 2.952 -3.375 4.876 223 HG22 VAL 108 1HG2 VAL 108 1.599 -4.476 5.115 224 HG23 VAL 108 2HG2 VAL 108 1.424 -3.088 4.042 225 H MET 109 H MET 109 4.933 -4.979 1.387 226 HA MET 109 HA MET 109 4.324 -7.314 -0.049 227 HB2 MET 109 2HB MET 109 6.489 -5.233 -0.336 228 HB3 MET 109 1HB MET 109 6.395 -6.610 -1.436 229 HG2 MET 109 2HG MET 109 4.099 -5.993 -2.042 230 HG3 MET 109 1HG MET 109 4.143 -4.649 -0.902 231 HE1 MET 109 3HE MET 109 3.123 -3.941 -3.134 232 HE2 MET 109 1HE MET 109 3.888 -4.640 -4.567 233 HE3 MET 109 2HE MET 109 4.035 -2.916 -4.239 234 H ILE 110 H ILE 110 7.152 -6.502 1.954 235 HA ILE 110 HA ILE 110 8.601 -8.880 1.396 236 HB ILE 110 HB ILE 110 8.674 -7.014 3.779 237 HG12 ILE 110 2HG1 ILE 110 10.633 -7.359 1.491 238 HG13 ILE 110 1HG1 ILE 110 9.329 -6.170 1.465 239 HG21 ILE 110 1HG2 ILE 110 9.570 -9.092 4.551 240 HG22 ILE 110 2HG2 ILE 110 10.967 -8.118 4.093 241 HG23 ILE 110 3HG2 ILE 110 10.388 -9.391 3.017 242 HD11 ILE 110 3HD1 ILE 110 11.590 -6.340 3.472 243 HD12 ILE 110 1HD1 ILE 110 10.211 -5.253 3.634 244 HD13 ILE 110 2HD1 ILE 110 11.325 -5.068 2.279 245 H ASN 111 H ASN 111 6.288 -7.999 3.946 246 HA ASN 111 HA ASN 111 6.457 -10.388 5.424 247 HB2 ASN 111 2HB ASN 111 5.353 -8.481 6.380 248 HB3 ASN 111 1HB ASN 111 4.170 -8.437 5.080 249 HD21 ASN 111 1HD2 ASN 111 5.304 -10.515 7.794 250 HD22 ASN 111 2HD2 ASN 111 3.809 -11.286 8.024 251 H LEU 112 H LEU 112 4.619 -9.520 2.558 252 HA LEU 112 HA LEU 112 3.071 -11.948 2.556 253 HB2 LEU 112 2HB LEU 112 3.372 -9.577 0.779 254 HB3 LEU 112 1HB LEU 112 2.829 -11.061 0.008 255 HG LEU 112 HG LEU 112 1.020 -11.239 1.736 256 HD11 LEU 112 1HD1 LEU 112 0.560 -9.373 3.197 257 HD12 LEU 112 2HD1 LEU 112 1.848 -8.423 2.466 258 HD13 LEU 112 3HD1 LEU 112 2.242 -9.834 3.443 259 HD21 LEU 112 3HD2 LEU 112 -0.407 -9.631 0.697 260 HD22 LEU 112 1HD2 LEU 112 0.773 -10.085 -0.531 261 HD23 LEU 112 2HD2 LEU 112 0.946 -8.559 0.335 262 H GLY 113 H GLY 113 6.257 -11.398 1.983 263 HA2 GLY 113 2HA GLY 113 7.872 -12.905 1.237 264 HA3 GLY 113 1HA GLY 113 6.578 -13.964 0.684 265 H GLU 114 H GLU 114 6.292 -10.716 -0.330 266 HA GLU 114 HA GLU 114 7.268 -11.426 -3.049 267 HB2 GLU 114 2HB GLU 114 5.086 -9.521 -2.155 268 HB3 GLU 114 1HB GLU 114 5.680 -9.636 -3.811 269 HG2 GLU 114 2HG GLU 114 5.015 -11.987 -3.922 270 HG3 GLU 114 1HG GLU 114 4.499 -11.942 -2.237 271 H LYS 115 H LYS 115 8.879 -10.200 -3.893 272 HA LYS 115 HA LYS 115 9.527 -7.607 -2.592 273 HB2 LYS 115 2HB LYS 115 11.979 -8.293 -3.171 274 HB3 LYS 115 1HB LYS 115 11.223 -8.981 -1.734 275 HG2 LYS 115 2HG LYS 115 10.640 -11.013 -2.970 276 HG3 LYS 115 1HG LYS 115 11.311 -10.329 -4.449 277 HD2 LYS 115 2HD LYS 115 13.533 -10.236 -3.428 278 HD3 LYS 115 1HD LYS 115 12.878 -10.853 -1.909 279 HE2 LYS 115 2HE LYS 115 13.896 -12.688 -3.168 280 HE3 LYS 115 1HE LYS 115 12.148 -12.915 -3.096 281 HZ1 LYS 115 3HZ LYS 115 12.668 -11.351 -5.326 282 HZ2 LYS 115 1HZ LYS 115 12.133 -12.960 -5.294 283 HZ3 LYS 115 2HZ LYS 115 13.796 -12.620 -5.363 284 H LEU 116 H LEU 116 9.003 -6.157 -4.131 285 HA LEU 116 HA LEU 116 9.700 -6.717 -6.952 286 HB2 LEU 116 2HB LEU 116 8.028 -4.433 -5.873 287 HB3 LEU 116 1HB LEU 116 8.142 -4.976 -7.538 288 HG LEU 116 HG LEU 116 6.077 -5.859 -6.676 289 HD11 LEU 116 1HD1 LEU 116 7.704 -7.424 -7.960 290 HD12 LEU 116 2HD1 LEU 116 6.358 -8.171 -7.098 291 HD13 LEU 116 3HD1 LEU 116 7.973 -8.192 -6.394 292 HD21 LEU 116 3HD2 LEU 116 7.268 -7.464 -4.466 293 HD22 LEU 116 1HD2 LEU 116 5.747 -6.591 -4.536 294 HD23 LEU 116 2HD2 LEU 116 7.232 -5.728 -4.176 295 H THR 117 H THR 117 10.745 -5.024 -8.208 296 HA THR 117 HA THR 117 12.991 -3.958 -6.863 297 HB THR 117 HB THR 117 11.920 -3.005 -9.526 298 HG1 THR 117 1HG THR 117 13.770 -4.893 -9.766 299 HG21 THR 117 3HG2 THR 117 14.389 -2.802 -9.972 300 HG22 THR 117 1HG2 THR 117 14.669 -3.190 -8.278 301 HG23 THR 117 2HG2 THR 117 13.793 -1.725 -8.712 302 H ASP 118 H ASP 118 13.537 -1.614 -6.700 303 HA ASP 118 HA ASP 118 11.542 -0.190 -5.306 304 HB2 ASP 118 2HB ASP 118 14.166 0.677 -6.523 305 HB3 ASP 118 1HB ASP 118 13.132 1.779 -5.615 306 H GLU 119 H GLU 119 12.625 -0.031 -8.672 307 HA GLU 119 HA GLU 119 11.165 2.267 -9.414 308 HB2 GLU 119 2HB GLU 119 12.037 -0.137 -11.041 309 HB3 GLU 119 1HB GLU 119 11.324 1.319 -11.738 310 HG2 GLU 119 2HG GLU 119 13.127 2.686 -10.815 311 HG3 GLU 119 1HG GLU 119 13.823 1.273 -10.012 312 H GLU 120 H GLU 120 10.212 -1.105 -9.039 313 HA GLU 120 HA GLU 120 7.680 -0.795 -10.366 314 HB2 GLU 120 2HB GLU 120 8.702 -2.886 -8.430 315 HB3 GLU 120 1HB GLU 120 7.155 -2.983 -9.272 316 HG2 GLU 120 2HG GLU 120 9.833 -2.702 -10.668 317 HG3 GLU 120 1HG GLU 120 9.001 -4.243 -10.423 318 H VAL 121 H VAL 121 8.701 -0.922 -6.948 319 HA VAL 121 HA VAL 121 6.129 -0.510 -5.859 320 HB VAL 121 HB VAL 121 8.859 0.173 -4.736 321 HG11 VAL 121 1HG1 VAL 121 6.107 0.129 -3.470 322 HG12 VAL 121 2HG1 VAL 121 7.233 1.485 -3.539 323 HG13 VAL 121 3HG1 VAL 121 7.600 0.084 -2.531 324 HG21 VAL 121 3HG2 VAL 121 8.572 -1.930 -3.503 325 HG22 VAL 121 1HG2 VAL 121 8.445 -2.228 -5.236 326 HG23 VAL 121 2HG2 VAL 121 6.989 -2.167 -4.241 327 H GLU 122 H GLU 122 8.745 1.798 -6.640 328 HA GLU 122 HA GLU 122 7.435 4.120 -5.784 329 HB2 GLU 122 2HB GLU 122 9.475 3.687 -7.977 330 HB3 GLU 122 1HB GLU 122 8.927 5.274 -7.459 331 HG2 GLU 122 2HG GLU 122 10.102 3.229 -5.569 332 HG3 GLU 122 1HG GLU 122 11.051 4.501 -6.338 333 H GLN 123 H GLN 123 7.268 2.360 -8.838 334 HA GLN 123 HA GLN 123 5.652 4.315 -10.171 335 HB2 GLN 123 2HB GLN 123 6.304 1.425 -10.696 336 HB3 GLN 123 1HB GLN 123 5.103 2.267 -11.674 337 HG2 GLN 123 2HG GLN 123 6.722 3.937 -12.338 338 HG3 GLN 123 1HG GLN 123 7.926 3.285 -11.234 339 HE21 GLN 123 1HE2 GLN 123 6.634 0.502 -12.182 340 HE22 GLN 123 2HE2 GLN 123 7.503 0.195 -13.604 341 H MET 124 H MET 124 4.928 1.407 -8.261 342 HA MET 124 HA MET 124 2.178 1.304 -8.784 343 HB2 MET 124 2HB MET 124 3.519 -0.489 -7.685 344 HB3 MET 124 1HB MET 124 3.608 0.509 -6.234 345 HG2 MET 124 2HG MET 124 1.126 0.549 -6.152 346 HG3 MET 124 1HG MET 124 1.085 -0.520 -7.546 347 HE1 MET 124 3HE MET 124 3.457 -2.722 -7.001 348 HE2 MET 124 1HE MET 124 1.852 -2.697 -7.742 349 HE3 MET 124 2HE MET 124 2.218 -3.854 -6.469 350 H ILE 125 H ILE 125 4.021 2.990 -6.240 351 HA ILE 125 HA ILE 125 1.775 4.033 -4.862 352 HB ILE 125 HB ILE 125 4.596 5.117 -5.143 353 HG12 ILE 125 2HG1 ILE 125 4.508 2.862 -4.164 354 HG13 ILE 125 1HG1 ILE 125 4.949 4.037 -2.936 355 HG21 ILE 125 1HG2 ILE 125 4.008 6.261 -2.944 356 HG22 ILE 125 2HG2 ILE 125 2.329 5.856 -3.284 357 HG23 ILE 125 3HG2 ILE 125 3.210 6.918 -4.376 358 HD11 ILE 125 3HD1 ILE 125 2.349 4.067 -2.476 359 HD12 ILE 125 1HD1 ILE 125 3.338 2.781 -1.819 360 HD13 ILE 125 2HD1 ILE 125 2.392 2.500 -3.270 361 H LYS 126 H LYS 126 3.822 5.384 -7.402 362 HA LYS 126 HA LYS 126 2.411 7.835 -7.657 363 HB2 LYS 126 2HB LYS 126 4.167 6.342 -9.558 364 HB3 LYS 126 1HB LYS 126 3.530 7.942 -9.904 365 HG2 LYS 126 2HG LYS 126 4.558 8.718 -7.729 366 HG3 LYS 126 1HG LYS 126 5.338 7.147 -7.610 367 HD2 LYS 126 2HD LYS 126 5.640 8.976 -10.005 368 HD3 LYS 126 1HD LYS 126 6.773 8.960 -8.652 369 HE2 LYS 126 2HE LYS 126 6.988 6.431 -9.075 370 HE3 LYS 126 1HE LYS 126 6.174 6.735 -10.609 371 HZ1 LYS 126 3HZ LYS 126 8.667 6.789 -10.641 372 HZ2 LYS 126 1HZ LYS 126 8.571 8.238 -9.765 373 HZ3 LYS 126 2HZ LYS 126 7.884 8.137 -11.316 374 H GLU 127 H GLU 127 2.160 4.760 -9.384 375 HA GLU 127 HA GLU 127 0.148 5.594 -11.203 376 HB2 GLU 127 2HB GLU 127 1.624 3.565 -11.408 377 HB3 GLU 127 1HB GLU 127 0.603 2.802 -10.200 378 HG2 GLU 127 2HG GLU 127 -0.278 2.136 -12.328 379 HG3 GLU 127 1HG GLU 127 -1.384 3.347 -11.687 380 H ALA 128 H ALA 128 0.076 4.156 -7.998 381 HA ALA 128 HA ALA 128 -2.782 3.755 -8.012 382 HB1 ALA 128 1HB ALA 128 -2.537 3.133 -5.689 383 HB2 ALA 128 2HB ALA 128 -0.919 3.831 -5.630 384 HB3 ALA 128 3HB ALA 128 -1.224 2.400 -6.614 385 H ASP 129 H ASP 129 -0.634 6.341 -7.061 386 HA ASP 129 HA ASP 129 -2.575 7.734 -5.491 387 HB2 ASP 129 2HB ASP 129 0.078 8.525 -6.677 388 HB3 ASP 129 1HB ASP 129 -0.887 9.612 -5.713 389 H LEU 130 H LEU 130 -4.263 8.719 -6.303 390 HA LEU 130 HA LEU 130 -4.372 9.485 -9.090 391 HB2 LEU 130 2HB LEU 130 -6.313 8.495 -7.842 392 HB3 LEU 130 1HB LEU 130 -6.424 9.994 -6.925 393 HG LEU 130 HG LEU 130 -6.306 10.394 -9.890 394 HD11 LEU 130 1HD1 LEU 130 -8.667 9.007 -8.591 395 HD12 LEU 130 2HD1 LEU 130 -7.666 8.391 -9.907 396 HD13 LEU 130 3HD1 LEU 130 -8.714 9.786 -10.174 397 HD21 LEU 130 3HD2 LEU 130 -7.844 12.132 -9.412 398 HD22 LEU 130 1HD2 LEU 130 -6.791 12.097 -8.001 399 HD23 LEU 130 2HD2 LEU 130 -8.387 11.360 -7.922 400 H ASP 131 H ASP 131 -3.789 11.057 -6.027 401 HA ASP 131 HA ASP 131 -3.970 13.718 -7.330 402 HB2 ASP 131 2HB ASP 131 -4.009 14.598 -5.024 403 HB3 ASP 131 1HB ASP 131 -5.359 13.511 -5.355 404 H GLY 132 H GLY 132 -1.667 11.568 -7.189 405 HA2 GLY 132 2HA GLY 132 0.624 11.570 -6.775 406 HA3 GLY 132 1HA GLY 132 0.498 13.147 -7.546 407 H ASP 133 H ASP 133 -0.481 11.904 -4.319 408 HA ASP 133 HA ASP 133 0.711 14.318 -3.111 409 HB2 ASP 133 2HB ASP 133 -0.557 13.782 -1.150 410 HB3 ASP 133 1HB ASP 133 -1.634 13.616 -2.536 411 H GLY 134 H GLY 134 1.325 10.985 -3.579 412 HA2 GLY 134 2HA GLY 134 3.454 10.004 -3.178 413 HA3 GLY 134 1HA GLY 134 3.712 11.157 -1.870 414 H GLN 135 H GLN 135 0.706 10.446 -1.258 415 HA GLN 135 HA GLN 135 1.343 8.080 0.403 416 HB2 GLN 135 2HB GLN 135 0.066 10.703 0.918 417 HB3 GLN 135 1HB GLN 135 -0.835 9.349 1.559 418 HG2 GLN 135 2HG GLN 135 1.025 8.590 2.845 419 HG3 GLN 135 1HG GLN 135 2.118 9.714 2.031 420 HE21 GLN 135 1HE2 GLN 135 -1.168 10.410 3.293 421 HE22 GLN 135 2HE2 GLN 135 -0.653 11.574 4.417 422 H VAL 136 H VAL 136 0.127 6.313 0.145 423 HA VAL 136 HA VAL 136 -2.003 6.353 -1.837 424 HB VAL 136 HB VAL 136 -0.731 4.184 -0.155 425 HG11 VAL 136 1HG1 VAL 136 -3.191 4.082 -1.904 426 HG12 VAL 136 2HG1 VAL 136 -2.992 3.459 -0.269 427 HG13 VAL 136 3HG1 VAL 136 -2.206 2.647 -1.623 428 HG21 VAL 136 3HG2 VAL 136 0.142 3.415 -2.229 429 HG22 VAL 136 1HG2 VAL 136 0.352 5.168 -2.257 430 HG23 VAL 136 2HG2 VAL 136 -0.965 4.426 -3.159 431 H ASN 137 H ASN 137 -4.069 6.887 -1.294 432 HA ASN 137 HA ASN 137 -4.858 6.774 1.545 433 HB2 ASN 137 2HB ASN 137 -5.232 8.822 0.034 434 HB3 ASN 137 1HB ASN 137 -6.503 7.871 -0.734 435 HD21 ASN 137 1HD2 ASN 137 -8.025 9.554 0.175 436 HD22 ASN 137 2HD2 ASN 137 -8.513 9.426 1.797 437 H TYR 138 H TYR 138 -7.182 6.043 1.939 438 HA TYR 138 HA TYR 138 -7.464 3.349 1.404 439 HB2 TYR 138 2HB TYR 138 -8.754 4.604 3.120 440 HB3 TYR 138 1HB TYR 138 -9.731 5.312 1.831 441 HD1 TYR 138 1HD TYR 138 -8.574 1.980 3.118 442 HD2 TYR 138 2HD TYR 138 -11.670 4.192 1.123 443 HE1 TYR 138 1HE TYR 138 -10.017 -0.036 3.119 444 HE2 TYR 138 2HE TYR 138 -13.111 2.179 1.125 445 HH TYR 138 HH TYR 138 -13.357 0.098 2.334 446 H GLU 139 H GLU 139 -8.986 6.050 -0.399 447 HA GLU 139 HA GLU 139 -10.454 4.473 -2.205 448 HB2 GLU 139 2HB GLU 139 -10.653 6.961 -1.871 449 HB3 GLU 139 1HB GLU 139 -9.181 7.145 -2.826 450 HG2 GLU 139 2HG GLU 139 -11.027 7.412 -4.337 451 HG3 GLU 139 1HG GLU 139 -10.338 5.822 -4.660 452 H GLU 140 H GLU 140 -7.132 5.762 -2.496 453 HA GLU 140 HA GLU 140 -6.706 4.681 -5.071 454 HB2 GLU 140 2HB GLU 140 -4.753 5.483 -2.941 455 HB3 GLU 140 1HB GLU 140 -4.306 5.045 -4.556 456 HG2 GLU 140 2HG GLU 140 -5.316 6.928 -5.513 457 HG3 GLU 140 1HG GLU 140 -6.397 7.165 -4.160 458 H PHE 141 H PHE 141 -6.142 3.443 -1.810 459 HA PHE 141 HA PHE 141 -4.747 1.102 -2.589 460 HB2 PHE 141 2HB PHE 141 -4.851 1.980 -0.251 461 HB3 PHE 141 1HB PHE 141 -6.538 1.473 -0.175 462 HD1 PHE 141 2HD PHE 141 -3.205 0.054 -1.200 463 HD2 PHE 141 1HD PHE 141 -6.966 -0.622 0.778 464 HE1 PHE 141 2HE PHE 141 -2.483 -2.240 -0.604 465 HE2 PHE 141 1HE PHE 141 -6.242 -2.913 1.363 466 HZ PHE 141 HZ PHE 141 -3.998 -3.723 0.672 467 H VAL 142 H VAL 142 -8.179 1.693 -1.861 468 HA VAL 142 HA VAL 142 -9.116 -0.885 -2.458 469 HB VAL 142 HB VAL 142 -10.427 1.839 -2.620 470 HG11 VAL 142 1HG1 VAL 142 -11.570 -0.899 -3.199 471 HG12 VAL 142 2HG1 VAL 142 -11.671 0.562 -4.183 472 HG13 VAL 142 3HG1 VAL 142 -12.587 0.449 -2.683 473 HG21 VAL 142 3HG2 VAL 142 -10.515 -0.477 -0.666 474 HG22 VAL 142 1HG2 VAL 142 -11.688 0.836 -0.646 475 HG23 VAL 142 2HG2 VAL 142 -9.985 1.177 -0.363 476 H LYS 143 H LYS 143 -8.776 1.999 -4.503 477 HA LYS 143 HA LYS 143 -9.747 0.860 -6.895 478 HB2 LYS 143 2HB LYS 143 -9.386 3.288 -6.445 479 HB3 LYS 143 1HB LYS 143 -7.655 3.020 -6.544 480 HG2 LYS 143 2HG LYS 143 -7.910 2.180 -8.857 481 HG3 LYS 143 1HG LYS 143 -9.651 2.455 -8.762 482 HD2 LYS 143 2HD LYS 143 -9.246 4.865 -8.378 483 HD3 LYS 143 1HD LYS 143 -7.509 4.585 -8.499 484 HE2 LYS 143 2HE LYS 143 -7.818 3.732 -10.807 485 HE3 LYS 143 1HE LYS 143 -9.546 4.059 -10.684 486 HZ1 LYS 143 3HZ LYS 143 -9.113 6.376 -10.426 487 HZ2 LYS 143 1HZ LYS 143 -8.267 5.841 -11.795 488 HZ3 LYS 143 2HZ LYS 143 -7.435 6.117 -10.340 489 H MET 144 H MET 144 -6.437 1.240 -5.646 490 HA MET 144 HA MET 144 -5.110 -0.097 -7.757 491 HB2 MET 144 2HB MET 144 -4.067 1.298 -5.889 492 HB3 MET 144 1HB MET 144 -4.233 -0.128 -4.884 493 HG2 MET 144 2HG MET 144 -2.839 -0.321 -7.557 494 HG3 MET 144 1HG MET 144 -1.971 0.234 -6.133 495 HE1 MET 144 3HE MET 144 -2.446 -2.379 -3.557 496 HE2 MET 144 1HE MET 144 -2.156 -0.693 -3.999 497 HE3 MET 144 2HE MET 144 -0.899 -1.898 -4.245 498 H MET 145 H MET 145 -6.528 -1.166 -4.751 499 HA MET 145 HA MET 145 -5.633 -3.851 -4.852 500 HB2 MET 145 2HB MET 145 -6.589 -2.830 -2.809 501 HB3 MET 145 1HB MET 145 -8.173 -2.794 -3.584 502 HG2 MET 145 2HG MET 145 -8.224 -5.210 -3.747 503 HG3 MET 145 1HG MET 145 -6.553 -5.328 -3.196 504 HE1 MET 145 3HE MET 145 -5.709 -4.486 -0.977 505 HE2 MET 145 1HE MET 145 -6.166 -6.190 -0.844 506 HE3 MET 145 2HE MET 145 -6.544 -5.069 0.462 507 H MET 146 H MET 146 -8.463 -2.228 -6.206 508 HA MET 146 HA MET 146 -9.762 -4.576 -7.124 509 HB2 MET 146 2HB MET 146 -9.913 -1.662 -7.869 510 HB3 MET 146 1HB MET 146 -10.805 -2.860 -8.807 511 HG2 MET 146 2HG MET 146 -11.723 -3.671 -6.506 512 HG3 MET 146 1HG MET 146 -11.128 -2.132 -5.895 513 HE1 MET 146 3HE MET 146 -11.874 0.062 -6.453 514 HE2 MET 146 1HE MET 146 -13.113 0.538 -7.619 515 HE3 MET 146 2HE MET 146 -11.553 -0.052 -8.181 516 H THR 147 H THR 147 -7.363 -2.421 -8.568 517 HA THR 147 HA THR 147 -7.318 -3.298 -11.169 518 HB THR 147 HB THR 147 -4.844 -2.792 -9.503 519 HG1 THR 147 1HG THR 147 -5.207 -0.657 -9.878 520 HG21 THR 147 3HG2 THR 147 -5.480 -2.506 -12.452 521 HG22 THR 147 1HG2 THR 147 -4.329 -3.624 -11.719 522 HG23 THR 147 2HG2 THR 147 -4.011 -1.890 -11.696 523 H VAL 148 H VAL 148 -6.660 -5.116 -8.353 524 HA VAL 148 HA VAL 148 -4.980 -7.091 -9.619 525 HB VAL 148 HB VAL 148 -6.489 -7.282 -6.997 526 HG11 VAL 148 1HG1 VAL 148 -4.210 -8.815 -8.258 527 HG12 VAL 148 2HG1 VAL 148 -5.702 -9.443 -7.562 528 HG13 VAL 148 3HG1 VAL 148 -4.447 -8.796 -6.511 529 HG21 VAL 148 3HG2 VAL 148 -4.439 -6.442 -5.955 530 HG22 VAL 148 1HG2 VAL 148 -5.014 -5.265 -7.136 531 HG23 VAL 148 2HG2 VAL 148 -3.658 -6.322 -7.531 532 H ARG 149 H ARG 149 -8.173 -6.355 -9.956 533 HA ARG 149 HA ARG 149 -10.037 -7.504 -10.694 534 HB2 ARG 149 2HB ARG 149 -7.816 -9.249 -11.792 535 HB3 ARG 149 1HB ARG 149 -9.515 -9.420 -12.235 536 HG2 ARG 149 2HG ARG 149 -9.556 -7.112 -13.065 537 HG3 ARG 149 1HG ARG 149 -7.875 -6.892 -12.582 538 HD2 ARG 149 2HD ARG 149 -7.205 -8.713 -14.122 539 HD3 ARG 149 1HD ARG 149 -8.884 -8.890 -14.627 540 HE ARG 149 HE ARG 149 -7.055 -6.760 -15.393 541 HH11 ARG 149 1HH2 ARG 149 -10.311 -7.860 -15.065 542 HH12 ARG 149 2HH2 ARG 149 -10.952 -6.769 -16.248 543 HH21 ARG 149 1HH1 ARG 149 -7.881 -5.317 -16.953 544 HH22 ARG 149 2HH1 ARG 149 -9.573 -5.327 -17.318 Start of MODEL 3 1 H1 ASP 80 1HT ASP 80 -19.924 -6.685 5.650 2 H2 ASP 80 2HT ASP 80 -19.667 -6.751 3.972 3 H3 ASP 80 3HT ASP 80 -18.853 -5.596 4.916 4 HA ASP 80 HA ASP 80 -17.877 -7.583 6.157 5 HB2 ASP 80 2HB ASP 80 -19.520 -9.123 4.955 6 HB3 ASP 80 1HB ASP 80 -18.511 -8.926 3.527 7 H ALA 81 H ALA 81 -17.778 -7.310 2.596 8 HA ALA 81 HA ALA 81 -15.031 -7.353 2.302 9 HB1 ALA 81 1HB ALA 81 -17.078 -5.791 0.697 10 HB2 ALA 81 2HB ALA 81 -16.461 -7.404 0.346 11 HB3 ALA 81 3HB ALA 81 -15.398 -6.006 0.205 12 H GLU 82 H GLU 82 -17.120 -4.514 2.869 13 HA GLU 82 HA GLU 82 -15.029 -2.636 2.871 14 HB2 GLU 82 2HB GLU 82 -17.666 -2.338 2.840 15 HB3 GLU 82 1HB GLU 82 -17.468 -2.224 4.589 16 HG2 GLU 82 2HG GLU 82 -16.011 -0.533 2.540 17 HG3 GLU 82 1HG GLU 82 -17.361 0.009 3.539 18 H GLU 83 H GLU 83 -16.307 -4.750 5.336 19 HA GLU 83 HA GLU 83 -14.976 -3.485 7.540 20 HB2 GLU 83 2HB GLU 83 -16.910 -5.026 7.842 21 HB3 GLU 83 1HB GLU 83 -15.897 -6.365 7.301 22 HG2 GLU 83 2HG GLU 83 -14.349 -5.978 9.161 23 HG3 GLU 83 1HG GLU 83 -15.295 -4.586 9.683 24 H GLU 84 H GLU 84 -14.333 -6.690 6.102 25 HA GLU 84 HA GLU 84 -11.823 -7.116 7.106 26 HB2 GLU 84 2HB GLU 84 -12.861 -7.821 4.344 27 HB3 GLU 84 1HB GLU 84 -11.381 -8.476 5.046 28 HG2 GLU 84 2HG GLU 84 -12.643 -9.423 6.909 29 HG3 GLU 84 1HG GLU 84 -14.132 -8.713 6.295 30 H LEU 85 H LEU 85 -12.643 -5.242 4.167 31 HA LEU 85 HA LEU 85 -9.976 -4.687 3.448 32 HB2 LEU 85 2HB LEU 85 -11.794 -4.326 1.862 33 HB3 LEU 85 1HB LEU 85 -12.504 -3.093 2.902 34 HG LEU 85 HG LEU 85 -10.512 -1.673 2.616 35 HD11 LEU 85 1HD1 LEU 85 -8.665 -3.078 2.361 36 HD12 LEU 85 2HD1 LEU 85 -8.893 -2.529 0.702 37 HD13 LEU 85 3HD1 LEU 85 -9.476 -4.120 1.196 38 HD21 LEU 85 3HD2 LEU 85 -10.966 -0.957 0.434 39 HD22 LEU 85 1HD2 LEU 85 -12.449 -1.801 0.880 40 HD23 LEU 85 2HD2 LEU 85 -11.258 -2.592 -0.154 41 H LYS 86 H LYS 86 -12.302 -2.895 5.457 42 HA LYS 86 HA LYS 86 -10.676 -0.655 5.948 43 HB2 LYS 86 2HB LYS 86 -13.105 -0.757 6.474 44 HB3 LYS 86 1HB LYS 86 -12.747 -1.857 7.806 45 HG2 LYS 86 2HG LYS 86 -11.363 -0.155 8.882 46 HG3 LYS 86 1HG LYS 86 -11.603 0.934 7.518 47 HD2 LYS 86 2HD LYS 86 -14.033 0.958 7.963 48 HD3 LYS 86 1HD LYS 86 -13.787 -0.115 9.340 49 HE2 LYS 86 2HE LYS 86 -12.384 1.569 10.437 50 HE3 LYS 86 1HE LYS 86 -12.548 2.638 9.044 51 HZ1 LYS 86 3HZ LYS 86 -14.539 3.310 9.723 52 HZ2 LYS 86 1HZ LYS 86 -14.193 2.576 11.212 53 HZ3 LYS 86 2HZ LYS 86 -15.073 1.727 10.032 54 H GLU 87 H GLU 87 -10.874 -3.806 7.544 55 HA GLU 87 HA GLU 87 -9.178 -3.162 9.723 56 HB2 GLU 87 2HB GLU 87 -9.788 -5.823 8.408 57 HB3 GLU 87 1HB GLU 87 -8.965 -5.617 9.949 58 HG2 GLU 87 2HG GLU 87 -11.718 -4.552 9.347 59 HG3 GLU 87 1HG GLU 87 -11.409 -6.070 10.183 60 H ALA 88 H ALA 88 -8.573 -4.875 6.655 61 HA ALA 88 HA ALA 88 -5.866 -5.315 6.982 62 HB1 ALA 88 1HB ALA 88 -5.705 -5.558 4.601 63 HB2 ALA 88 2HB ALA 88 -7.110 -4.525 4.341 64 HB3 ALA 88 3HB ALA 88 -7.312 -6.123 5.059 65 H PHE 89 H PHE 89 -7.488 -2.447 5.627 66 HA PHE 89 HA PHE 89 -5.219 -0.959 4.957 67 HB2 PHE 89 2HB PHE 89 -7.528 -0.310 4.349 68 HB3 PHE 89 1HB PHE 89 -7.857 0.067 6.039 69 HD1 PHE 89 1HD PHE 89 -5.956 1.067 3.033 70 HD2 PHE 89 2HD PHE 89 -6.930 2.041 7.100 71 HE1 PHE 89 1HE PHE 89 -5.037 3.334 2.705 72 HE2 PHE 89 2HE PHE 89 -5.980 4.312 6.776 73 HZ PHE 89 HZ PHE 89 -5.029 4.945 4.577 74 H LYS 90 H LYS 90 -6.999 -1.164 8.028 75 HA LYS 90 HA LYS 90 -5.474 0.729 9.447 76 HB2 LYS 90 2HB LYS 90 -7.115 -1.652 10.291 77 HB3 LYS 90 1HB LYS 90 -6.249 -0.674 11.475 78 HG2 LYS 90 2HG LYS 90 -7.978 0.722 9.435 79 HG3 LYS 90 1HG LYS 90 -8.757 -0.069 10.803 80 HD2 LYS 90 2HD LYS 90 -6.414 1.756 11.332 81 HD3 LYS 90 1HD LYS 90 -7.992 2.469 10.992 82 HE2 LYS 90 2HE LYS 90 -8.990 1.150 12.817 83 HE3 LYS 90 1HE LYS 90 -7.419 0.427 13.161 84 HZ1 LYS 90 3HZ LYS 90 -8.443 2.956 13.942 85 HZ2 LYS 90 1HZ LYS 90 -6.977 3.129 13.109 86 HZ3 LYS 90 2HZ LYS 90 -7.056 2.139 14.487 87 H VAL 91 H VAL 91 -4.910 -2.662 8.748 88 HA VAL 91 HA VAL 91 -2.752 -2.986 10.591 89 HB VAL 91 HB VAL 91 -3.514 -4.562 8.123 90 HG11 VAL 91 1HG1 VAL 91 -2.020 -6.311 9.237 91 HG12 VAL 91 2HG1 VAL 91 -1.394 -5.002 10.239 92 HG13 VAL 91 3HG1 VAL 91 -1.175 -4.954 8.490 93 HG21 VAL 91 3HG2 VAL 91 -4.311 -6.177 9.850 94 HG22 VAL 91 1HG2 VAL 91 -5.160 -4.634 9.942 95 HG23 VAL 91 2HG2 VAL 91 -3.886 -5.011 11.103 96 H PHE 92 H PHE 92 -2.941 -2.170 7.149 97 HA PHE 92 HA PHE 92 -0.171 -2.164 6.622 98 HB2 PHE 92 2HB PHE 92 -2.539 -0.836 5.319 99 HB3 PHE 92 1HB PHE 92 -0.912 -0.390 4.811 100 HD1 PHE 92 1HD PHE 92 -2.444 -3.671 5.837 101 HD2 PHE 92 2HD PHE 92 -0.420 -1.428 2.780 102 HE1 PHE 92 1HE PHE 92 -2.323 -5.702 4.432 103 HE2 PHE 92 2HE PHE 92 -0.305 -3.456 1.375 104 HZ PHE 92 HZ PHE 92 -1.251 -5.601 2.201 105 H ASP 93 H ASP 93 -2.308 0.279 7.969 106 HA ASP 93 HA ASP 93 -0.404 2.390 7.804 107 HB2 ASP 93 2HB ASP 93 -3.005 2.448 8.102 108 HB3 ASP 93 1HB ASP 93 -2.632 2.357 9.822 109 H LYS 94 H LYS 94 1.395 1.011 8.683 110 HA LYS 94 HA LYS 94 1.565 0.061 11.278 111 HB2 LYS 94 2HB LYS 94 3.679 1.394 9.588 112 HB3 LYS 94 1HB LYS 94 4.021 0.624 11.139 113 HG2 LYS 94 2HG LYS 94 3.098 -1.504 10.288 114 HG3 LYS 94 1HG LYS 94 2.753 -0.729 8.741 115 HD2 LYS 94 2HD LYS 94 4.823 -1.728 8.287 116 HD3 LYS 94 1HD LYS 94 5.327 -0.115 8.787 117 HE2 LYS 94 2HE LYS 94 6.676 -1.862 9.905 118 HE3 LYS 94 1HE LYS 94 5.728 -0.949 11.080 119 HZ1 LYS 94 3HZ LYS 94 5.726 -3.518 11.161 120 HZ2 LYS 94 1HZ LYS 94 4.616 -3.395 9.884 121 HZ3 LYS 94 2HZ LYS 94 4.267 -2.677 11.384 122 H ASP 95 H ASP 95 2.305 3.370 10.152 123 HA ASP 95 HA ASP 95 2.734 4.328 12.845 124 HB2 ASP 95 2HB ASP 95 2.909 6.541 11.765 125 HB3 ASP 95 1HB ASP 95 3.934 5.347 10.973 126 H GLN 96 H GLN 96 0.014 3.447 11.254 127 HA GLN 96 HA GLN 96 -2.226 3.971 11.431 128 HB2 GLN 96 2HB GLN 96 -1.262 3.538 13.906 129 HB3 GLN 96 1HB GLN 96 -1.772 5.211 14.123 130 HG2 GLN 96 2HG GLN 96 -3.507 2.922 13.146 131 HG3 GLN 96 1HG GLN 96 -3.589 3.681 14.733 132 HE21 GLN 96 1HE2 GLN 96 -4.829 5.596 14.925 133 HE22 GLN 96 2HE2 GLN 96 -5.570 6.374 13.611 134 H ASN 97 H ASN 97 -0.649 5.974 10.124 135 HA ASN 97 HA ASN 97 -1.518 8.546 11.165 136 HB2 ASN 97 2HB ASN 97 -0.299 9.491 9.292 137 HB3 ASN 97 1HB ASN 97 0.695 8.269 10.083 138 HD21 ASN 97 1HD2 ASN 97 1.510 8.679 7.563 139 HD22 ASN 97 2HD2 ASN 97 0.947 7.485 6.496 140 H GLY 98 H GLY 98 -3.025 6.166 9.438 141 HA2 GLY 98 2HA GLY 98 -5.215 6.281 8.593 142 HA3 GLY 98 1HA GLY 98 -5.054 8.026 8.442 143 H TYR 99 H TYR 99 -2.271 6.935 7.174 144 HA TYR 99 HA TYR 99 -3.357 6.538 4.433 145 HB2 TYR 99 2HB TYR 99 -1.183 8.392 5.412 146 HB3 TYR 99 1HB TYR 99 -1.223 7.832 3.740 147 HD1 TYR 99 1HD TYR 99 -3.369 9.412 6.365 148 HD2 TYR 99 2HD TYR 99 -2.594 8.908 2.178 149 HE1 TYR 99 1HE TYR 99 -5.115 11.088 5.842 150 HE2 TYR 99 2HE TYR 99 -4.335 10.589 1.653 151 HH TYR 99 HH TYR 99 -6.223 12.156 4.244 152 H ILE 100 H ILE 100 -1.498 5.680 2.966 153 HA ILE 100 HA ILE 100 0.175 3.750 4.505 154 HB ILE 100 HB ILE 100 -0.971 3.273 1.742 155 HG12 ILE 100 2HG1 ILE 100 -1.943 2.298 4.461 156 HG13 ILE 100 1HG1 ILE 100 -2.820 3.310 3.326 157 HG21 ILE 100 1HG2 ILE 100 -0.136 1.020 2.074 158 HG22 ILE 100 2HG2 ILE 100 0.280 1.378 3.749 159 HG23 ILE 100 3HG2 ILE 100 1.184 2.130 2.437 160 HD11 ILE 100 3HD1 ILE 100 -2.661 1.446 1.644 161 HD12 ILE 100 1HD1 ILE 100 -3.622 1.051 3.064 162 HD13 ILE 100 2HD1 ILE 100 -1.984 0.430 2.915 163 H SER 101 H SER 101 2.278 3.858 4.141 164 HA SER 101 HA SER 101 3.250 5.631 1.957 165 HB2 SER 101 2HB SER 101 3.869 6.323 4.240 166 HB3 SER 101 1HB SER 101 4.634 4.760 4.504 167 HG SER 101 HG SER 101 6.259 6.023 3.808 168 H ALA 102 H ALA 102 5.129 5.000 0.768 169 HA ALA 102 HA ALA 102 5.085 2.414 -0.234 170 HB1 ALA 102 1HB ALA 102 7.170 2.904 -1.326 171 HB2 ALA 102 2HB ALA 102 7.563 4.154 -0.145 172 HB3 ALA 102 3HB ALA 102 6.238 4.401 -1.284 173 H SER 103 H SER 103 7.006 3.764 2.424 174 HA SER 103 HA SER 103 8.648 1.526 2.877 175 HB2 SER 103 2HB SER 103 9.080 3.718 3.901 176 HB3 SER 103 1HB SER 103 7.628 3.550 4.885 177 HG SER 103 HG SER 103 10.080 2.194 5.018 178 H GLU 104 H GLU 104 5.436 2.358 4.177 179 HA GLU 104 HA GLU 104 5.274 0.055 5.829 180 HB2 GLU 104 2HB GLU 104 3.187 1.939 4.738 181 HB3 GLU 104 1HB GLU 104 2.841 0.655 5.870 182 HG2 GLU 104 2HG GLU 104 4.573 1.631 7.410 183 HG3 GLU 104 1HG GLU 104 4.688 2.994 6.306 184 H LEU 105 H LEU 105 4.132 0.841 2.553 185 HA LEU 105 HA LEU 105 2.696 -1.576 2.127 186 HB2 LEU 105 2HB LEU 105 2.281 0.362 0.726 187 HB3 LEU 105 1HB LEU 105 3.942 0.340 0.140 188 HG LEU 105 HG LEU 105 3.570 -1.834 -0.942 189 HD11 LEU 105 1HD1 LEU 105 2.058 -3.000 0.425 190 HD12 LEU 105 2HD1 LEU 105 1.072 -2.612 -0.980 191 HD13 LEU 105 3HD1 LEU 105 0.923 -1.653 0.493 192 HD21 LEU 105 3HD2 LEU 105 1.953 -1.143 -2.638 193 HD22 LEU 105 1HD2 LEU 105 2.952 0.232 -2.162 194 HD23 LEU 105 2HD2 LEU 105 1.306 0.083 -1.546 195 H ARG 106 H ARG 106 5.982 -0.599 1.308 196 HA ARG 106 HA ARG 106 6.673 -3.020 -0.026 197 HB2 ARG 106 2HB ARG 106 8.880 -2.214 -0.117 198 HB3 ARG 106 1HB ARG 106 7.915 -0.741 -0.065 199 HG2 ARG 106 2HG ARG 106 8.240 -0.716 2.419 200 HG3 ARG 106 1HG ARG 106 9.376 -2.041 2.252 201 HD2 ARG 106 2HD ARG 106 9.639 0.626 0.857 202 HD3 ARG 106 1HD ARG 106 10.472 0.183 2.345 203 HE ARG 106 HE ARG 106 10.987 -1.805 0.433 204 HH11 ARG 106 1HH2 ARG 106 11.562 1.527 1.115 205 HH12 ARG 106 2HH2 ARG 106 13.074 1.587 0.270 206 HH21 ARG 106 1HH1 ARG 106 12.970 -1.751 -0.675 207 HH22 ARG 106 2HH1 ARG 106 13.871 -0.274 -0.746 208 H HIS 107 H HIS 107 7.188 -1.918 3.321 209 HA HIS 107 HA HIS 107 8.563 -4.169 4.254 210 HB2 HIS 107 2HB HIS 107 8.300 -2.047 5.534 211 HB3 HIS 107 1HB HIS 107 6.610 -2.459 5.818 212 HD1 HIS 107 1HD HIS 107 6.459 -3.235 8.185 213 HD2 HIS 107 2HD HIS 107 9.824 -4.784 6.273 214 HE1 HIS 107 1HE HIS 107 7.549 -4.826 9.828 215 HE2 HIS 107 2HE HIS 107 9.602 -5.779 8.677 216 H VAL 108 H VAL 108 5.096 -3.507 4.050 217 HA VAL 108 HA VAL 108 4.265 -5.940 5.251 218 HB VAL 108 HB VAL 108 2.854 -4.050 3.352 219 HG11 VAL 108 1HG1 VAL 108 1.897 -6.538 4.785 220 HG12 VAL 108 2HG1 VAL 108 1.769 -6.165 3.066 221 HG13 VAL 108 3HG1 VAL 108 0.791 -5.281 4.238 222 HG21 VAL 108 3HG2 VAL 108 2.282 -4.540 6.283 223 HG22 VAL 108 1HG2 VAL 108 1.859 -3.140 5.298 224 HG23 VAL 108 2HG2 VAL 108 3.531 -3.401 5.790 225 H MET 109 H MET 109 4.832 -4.964 1.874 226 HA MET 109 HA MET 109 3.944 -7.351 0.675 227 HB2 MET 109 2HB MET 109 5.916 -5.228 -0.165 228 HB3 MET 109 1HB MET 109 5.596 -6.633 -1.179 229 HG2 MET 109 2HG MET 109 3.427 -4.808 -0.134 230 HG3 MET 109 1HG MET 109 4.186 -4.609 -1.711 231 HE1 MET 109 3HE MET 109 1.942 -4.809 -2.988 232 HE2 MET 109 1HE MET 109 1.779 -6.384 -3.781 233 HE3 MET 109 2HE MET 109 3.344 -5.576 -3.729 234 H ILE 110 H ILE 110 7.094 -6.426 2.009 235 HA ILE 110 HA ILE 110 8.479 -8.756 1.148 236 HB ILE 110 HB ILE 110 9.008 -6.851 3.441 237 HG12 ILE 110 2HG1 ILE 110 10.451 -7.188 0.798 238 HG13 ILE 110 1HG1 ILE 110 9.120 -6.050 1.016 239 HG21 ILE 110 1HG2 ILE 110 11.367 -7.901 3.216 240 HG22 ILE 110 2HG2 ILE 110 10.554 -9.232 2.392 241 HG23 ILE 110 3HG2 ILE 110 10.140 -8.845 4.062 242 HD11 ILE 110 3HD1 ILE 110 10.325 -4.793 2.640 243 HD12 ILE 110 1HD1 ILE 110 11.485 -5.112 1.351 244 HD13 ILE 110 2HD1 ILE 110 11.533 -6.062 2.835 245 H ASN 111 H ASN 111 6.765 -7.920 4.139 246 HA ASN 111 HA ASN 111 7.321 -10.285 5.556 247 HB2 ASN 111 2HB ASN 111 6.410 -8.445 6.760 248 HB3 ASN 111 1HB ASN 111 5.002 -8.347 5.715 249 HD21 ASN 111 1HD2 ASN 111 3.322 -8.888 7.194 250 HD22 ASN 111 2HD2 ASN 111 3.279 -10.336 8.080 251 H LEU 112 H LEU 112 5.129 -9.582 2.971 252 HA LEU 112 HA LEU 112 3.618 -12.049 3.352 253 HB2 LEU 112 2HB LEU 112 3.382 -9.650 1.603 254 HB3 LEU 112 1HB LEU 112 2.746 -11.154 0.957 255 HG LEU 112 HG LEU 112 1.432 -11.418 3.116 256 HD11 LEU 112 1HD1 LEU 112 2.960 -9.735 4.331 257 HD12 LEU 112 2HD1 LEU 112 1.230 -9.603 4.626 258 HD13 LEU 112 3HD1 LEU 112 2.022 -8.486 3.517 259 HD21 LEU 112 3HD2 LEU 112 -0.320 -9.916 2.414 260 HD22 LEU 112 1HD2 LEU 112 0.499 -10.500 0.966 261 HD23 LEU 112 2HD2 LEU 112 0.834 -8.880 1.576 262 H GLY 113 H GLY 113 6.561 -11.415 2.200 263 HA2 GLY 113 2HA GLY 113 8.025 -12.901 1.134 264 HA3 GLY 113 1HA GLY 113 6.641 -13.874 0.645 265 H GLU 114 H GLU 114 6.133 -10.610 0.004 266 HA GLU 114 HA GLU 114 6.850 -10.967 -2.859 267 HB2 GLU 114 2HB GLU 114 4.710 -9.272 -1.541 268 HB3 GLU 114 1HB GLU 114 5.110 -9.214 -3.258 269 HG2 GLU 114 2HG GLU 114 4.514 -11.561 -3.522 270 HG3 GLU 114 1HG GLU 114 4.223 -11.713 -1.790 271 H LYS 115 H LYS 115 8.475 -9.739 -3.568 272 HA LYS 115 HA LYS 115 8.966 -7.096 -2.329 273 HB2 LYS 115 2HB LYS 115 11.451 -7.648 -2.597 274 HB3 LYS 115 1HB LYS 115 10.608 -8.424 -1.258 275 HG2 LYS 115 2HG LYS 115 10.258 -10.441 -2.754 276 HG3 LYS 115 1HG LYS 115 11.302 -9.667 -3.941 277 HD2 LYS 115 2HD LYS 115 12.131 -10.231 -1.091 278 HD3 LYS 115 1HD LYS 115 12.467 -11.313 -2.440 279 HE2 LYS 115 2HE LYS 115 13.564 -9.277 -3.578 280 HE3 LYS 115 1HE LYS 115 13.508 -8.513 -1.991 281 HZ1 LYS 115 3HZ LYS 115 15.587 -9.786 -2.585 282 HZ2 LYS 115 1HZ LYS 115 14.666 -11.196 -2.385 283 HZ3 LYS 115 2HZ LYS 115 14.878 -10.129 -1.079 284 H LEU 116 H LEU 116 8.655 -5.689 -3.931 285 HA LEU 116 HA LEU 116 9.435 -6.412 -6.693 286 HB2 LEU 116 2HB LEU 116 7.868 -3.976 -5.819 287 HB3 LEU 116 1HB LEU 116 7.968 -4.695 -7.423 288 HG LEU 116 HG LEU 116 6.719 -6.021 -4.999 289 HD11 LEU 116 1HD1 LEU 116 4.599 -5.701 -6.259 290 HD12 LEU 116 2HD1 LEU 116 5.484 -4.783 -7.477 291 HD13 LEU 116 3HD1 LEU 116 5.355 -4.167 -5.830 292 HD21 LEU 116 3HD2 LEU 116 7.132 -6.882 -7.870 293 HD22 LEU 116 1HD2 LEU 116 5.862 -7.587 -6.867 294 HD23 LEU 116 2HD2 LEU 116 7.552 -7.755 -6.396 295 H THR 117 H THR 117 10.634 -4.816 -7.971 296 HA THR 117 HA THR 117 12.872 -3.790 -6.586 297 HB THR 117 HB THR 117 11.928 -2.887 -9.315 298 HG1 THR 117 1HG THR 117 13.167 -5.278 -8.473 299 HG21 THR 117 3HG2 THR 117 14.625 -3.163 -7.983 300 HG22 THR 117 1HG2 THR 117 13.835 -1.670 -8.487 301 HG23 THR 117 2HG2 THR 117 14.406 -2.815 -9.697 302 H ASP 118 H ASP 118 13.517 -1.457 -6.563 303 HA ASP 118 HA ASP 118 11.583 0.092 -5.224 304 HB2 ASP 118 2HB ASP 118 14.237 0.809 -6.472 305 HB3 ASP 118 1HB ASP 118 13.243 1.991 -5.623 306 H GLU 119 H GLU 119 12.665 0.076 -8.590 307 HA GLU 119 HA GLU 119 11.216 2.377 -9.396 308 HB2 GLU 119 2HB GLU 119 12.206 -0.019 -10.959 309 HB3 GLU 119 1HB GLU 119 11.462 1.397 -11.706 310 HG2 GLU 119 2HG GLU 119 13.183 2.847 -10.756 311 HG3 GLU 119 1HG GLU 119 13.913 1.480 -9.918 312 H GLU 120 H GLU 120 10.331 -0.989 -8.981 313 HA GLU 120 HA GLU 120 7.847 -0.828 -10.413 314 HB2 GLU 120 2HB GLU 120 8.874 -2.752 -8.318 315 HB3 GLU 120 1HB GLU 120 7.315 -2.935 -9.126 316 HG2 GLU 120 2HG GLU 120 8.401 -3.065 -11.293 317 HG3 GLU 120 1HG GLU 120 9.970 -2.728 -10.577 318 H VAL 121 H VAL 121 8.732 -0.642 -6.960 319 HA VAL 121 HA VAL 121 6.094 -0.220 -6.020 320 HB VAL 121 HB VAL 121 8.774 0.537 -4.824 321 HG11 VAL 121 1HG1 VAL 121 5.956 0.714 -3.740 322 HG12 VAL 121 2HG1 VAL 121 7.193 1.969 -3.767 323 HG13 VAL 121 3HG1 VAL 121 7.355 0.593 -2.674 324 HG21 VAL 121 3HG2 VAL 121 8.149 -1.435 -3.322 325 HG22 VAL 121 1HG2 VAL 121 8.553 -1.847 -4.988 326 HG23 VAL 121 2HG2 VAL 121 6.865 -1.792 -4.477 327 H GLU 122 H GLU 122 8.710 2.040 -6.881 328 HA GLU 122 HA GLU 122 7.394 4.418 -6.199 329 HB2 GLU 122 2HB GLU 122 9.826 4.127 -6.909 330 HB3 GLU 122 1HB GLU 122 9.241 4.123 -8.573 331 HG2 GLU 122 2HG GLU 122 9.835 6.390 -8.079 332 HG3 GLU 122 1HG GLU 122 8.074 6.320 -8.044 333 H GLN 123 H GLN 123 7.226 2.424 -9.112 334 HA GLN 123 HA GLN 123 5.595 4.270 -10.580 335 HB2 GLN 123 2HB GLN 123 6.279 1.350 -10.931 336 HB3 GLN 123 1HB GLN 123 5.098 2.150 -11.974 337 HG2 GLN 123 2HG GLN 123 6.757 3.814 -12.638 338 HG3 GLN 123 1HG GLN 123 7.939 3.117 -11.534 339 HE21 GLN 123 1HE2 GLN 123 6.565 0.381 -12.441 340 HE22 GLN 123 2HE2 GLN 123 7.403 0.032 -13.875 341 H MET 124 H MET 124 4.916 1.445 -8.528 342 HA MET 124 HA MET 124 2.160 1.299 -9.038 343 HB2 MET 124 2HB MET 124 3.475 -0.479 -7.925 344 HB3 MET 124 1HB MET 124 3.660 0.559 -6.509 345 HG2 MET 124 2HG MET 124 1.223 0.635 -6.238 346 HG3 MET 124 1HG MET 124 1.028 -0.369 -7.670 347 HE1 MET 124 3HE MET 124 2.094 -2.629 -7.983 348 HE2 MET 124 1HE MET 124 0.463 -2.837 -7.332 349 HE3 MET 124 2HE MET 124 1.784 -3.841 -6.742 350 H ILE 125 H ILE 125 3.986 3.013 -6.505 351 HA ILE 125 HA ILE 125 1.738 4.110 -5.186 352 HB ILE 125 HB ILE 125 4.538 5.249 -5.401 353 HG12 ILE 125 2HG1 ILE 125 4.223 2.804 -4.545 354 HG13 ILE 125 1HG1 ILE 125 5.188 3.905 -3.573 355 HG21 ILE 125 1HG2 ILE 125 2.222 5.773 -3.546 356 HG22 ILE 125 2HG2 ILE 125 3.148 6.933 -4.499 357 HG23 ILE 125 3HG2 ILE 125 3.882 6.159 -3.095 358 HD11 ILE 125 3HD1 ILE 125 3.344 4.256 -2.040 359 HD12 ILE 125 1HD1 ILE 125 3.536 2.518 -2.267 360 HD13 ILE 125 2HD1 ILE 125 2.246 3.375 -3.096 361 H LYS 126 H LYS 126 3.861 5.396 -7.670 362 HA LYS 126 HA LYS 126 2.524 7.866 -7.994 363 HB2 LYS 126 2HB LYS 126 4.237 6.308 -9.894 364 HB3 LYS 126 1HB LYS 126 3.709 7.960 -10.174 365 HG2 LYS 126 2HG LYS 126 5.119 7.247 -7.606 366 HG3 LYS 126 1HG LYS 126 6.061 7.534 -9.066 367 HD2 LYS 126 2HD LYS 126 4.970 9.767 -9.300 368 HD3 LYS 126 1HD LYS 126 4.109 9.486 -7.789 369 HE2 LYS 126 2HE LYS 126 6.074 10.810 -7.312 370 HE3 LYS 126 1HE LYS 126 6.314 9.195 -6.647 371 HZ1 LYS 126 3HZ LYS 126 7.682 8.601 -8.457 372 HZ2 LYS 126 1HZ LYS 126 8.228 10.120 -7.936 373 HZ3 LYS 126 2HZ LYS 126 7.270 9.997 -9.333 374 H GLU 127 H GLU 127 2.219 4.789 -9.666 375 HA GLU 127 HA GLU 127 0.267 5.673 -11.538 376 HB2 GLU 127 2HB GLU 127 1.692 3.649 -11.796 377 HB3 GLU 127 1HB GLU 127 0.734 2.876 -10.545 378 HG2 GLU 127 2HG GLU 127 -1.297 3.148 -11.877 379 HG3 GLU 127 1HG GLU 127 -0.387 4.003 -13.121 380 H ALA 128 H ALA 128 0.128 4.200 -8.352 381 HA ALA 128 HA ALA 128 -2.745 3.849 -8.421 382 HB1 ALA 128 1HB ALA 128 -0.747 3.657 -6.167 383 HB2 ALA 128 2HB ALA 128 -1.490 2.330 -7.059 384 HB3 ALA 128 3HB ALA 128 -2.471 3.331 -5.986 385 H ASP 129 H ASP 129 -0.550 6.321 -7.320 386 HA ASP 129 HA ASP 129 -2.501 7.720 -5.746 387 HB2 ASP 129 2HB ASP 129 -0.116 7.904 -5.288 388 HB3 ASP 129 1HB ASP 129 0.152 8.658 -6.847 389 H LEU 130 H LEU 130 -4.084 8.887 -6.487 390 HA LEU 130 HA LEU 130 -4.103 9.740 -9.247 391 HB2 LEU 130 2HB LEU 130 -6.115 8.798 -7.932 392 HB3 LEU 130 1HB LEU 130 -6.215 10.399 -7.201 393 HG LEU 130 HG LEU 130 -6.129 11.249 -9.698 394 HD11 LEU 130 1HD1 LEU 130 -5.672 9.122 -10.793 395 HD12 LEU 130 2HD1 LEU 130 -7.294 9.643 -11.233 396 HD13 LEU 130 3HD1 LEU 130 -7.075 8.384 -10.021 397 HD21 LEU 130 3HD2 LEU 130 -8.588 9.874 -8.573 398 HD22 LEU 130 1HD2 LEU 130 -8.588 11.124 -9.817 399 HD23 LEU 130 2HD2 LEU 130 -8.057 11.509 -8.180 400 H ASP 131 H ASP 131 -3.354 11.117 -6.176 401 HA ASP 131 HA ASP 131 -3.489 13.863 -7.305 402 HB2 ASP 131 2HB ASP 131 -3.463 14.622 -4.969 403 HB3 ASP 131 1HB ASP 131 -4.821 13.542 -5.280 404 H GLY 132 H GLY 132 -1.285 11.569 -7.263 405 HA2 GLY 132 2HA GLY 132 1.015 11.447 -6.932 406 HA3 GLY 132 1HA GLY 132 0.950 13.051 -7.654 407 H ASP 133 H ASP 133 -0.512 12.335 -4.523 408 HA ASP 133 HA ASP 133 0.952 14.455 -3.279 409 HB2 ASP 133 2HB ASP 133 -0.228 13.818 -1.248 410 HB3 ASP 133 1HB ASP 133 -1.353 13.825 -2.603 411 H GLY 134 H GLY 134 1.524 11.125 -3.791 412 HA2 GLY 134 2HA GLY 134 3.657 10.121 -3.481 413 HA3 GLY 134 1HA GLY 134 3.975 11.248 -2.163 414 H GLN 135 H GLN 135 0.927 10.470 -1.579 415 HA GLN 135 HA GLN 135 1.596 8.092 0.060 416 HB2 GLN 135 2HB GLN 135 0.384 10.724 0.681 417 HB3 GLN 135 1HB GLN 135 -0.511 9.368 1.333 418 HG2 GLN 135 2HG GLN 135 1.394 8.568 2.526 419 HG3 GLN 135 1HG GLN 135 2.463 9.701 1.696 420 HE21 GLN 135 1HE2 GLN 135 -0.275 11.461 2.187 421 HE22 GLN 135 2HE2 GLN 135 0.080 12.141 3.700 422 H VAL 136 H VAL 136 0.265 6.384 -0.083 423 HA VAL 136 HA VAL 136 -1.884 6.481 -2.063 424 HB VAL 136 HB VAL 136 -0.827 4.233 -0.328 425 HG11 VAL 136 1HG1 VAL 136 -2.909 4.316 -2.510 426 HG12 VAL 136 2HG1 VAL 136 -3.085 3.693 -0.870 427 HG13 VAL 136 3HG1 VAL 136 -2.092 2.826 -2.041 428 HG21 VAL 136 3HG2 VAL 136 -0.339 5.077 -3.183 429 HG22 VAL 136 1HG2 VAL 136 -0.003 3.441 -2.617 430 HG23 VAL 136 2HG2 VAL 136 0.849 4.814 -1.906 431 H ASN 137 H ASN 137 -3.885 7.097 -1.488 432 HA ASN 137 HA ASN 137 -4.668 6.998 1.348 433 HB2 ASN 137 2HB ASN 137 -6.469 8.465 0.749 434 HB3 ASN 137 1HB ASN 137 -5.006 9.085 -0.010 435 HD21 ASN 137 1HD2 ASN 137 -7.354 9.920 -1.165 436 HD22 ASN 137 2HD2 ASN 137 -7.629 9.108 -2.631 437 H TYR 138 H TYR 138 -7.046 6.386 1.702 438 HA TYR 138 HA TYR 138 -7.399 3.681 1.175 439 HB2 TYR 138 2HB TYR 138 -8.600 5.006 2.932 440 HB3 TYR 138 1HB TYR 138 -9.639 5.655 1.662 441 HD1 TYR 138 1HD TYR 138 -8.577 2.548 3.391 442 HD2 TYR 138 2HD TYR 138 -11.384 4.332 0.672 443 HE1 TYR 138 1HE TYR 138 -9.980 0.509 3.509 444 HE2 TYR 138 2HE TYR 138 -12.789 2.291 0.788 445 HH TYR 138 HH TYR 138 -12.720 0.140 3.065 446 H GLU 139 H GLU 139 -8.822 6.453 -0.564 447 HA GLU 139 HA GLU 139 -10.428 4.978 -2.325 448 HB2 GLU 139 2HB GLU 139 -10.434 7.502 -1.998 449 HB3 GLU 139 1HB GLU 139 -8.997 7.560 -3.017 450 HG2 GLU 139 2HG GLU 139 -10.886 7.964 -4.444 451 HG3 GLU 139 1HG GLU 139 -10.320 6.330 -4.784 452 H GLU 140 H GLU 140 -7.012 6.024 -2.711 453 HA GLU 140 HA GLU 140 -6.788 4.817 -5.282 454 HB2 GLU 140 2HB GLU 140 -4.711 5.679 -3.301 455 HB3 GLU 140 1HB GLU 140 -4.376 5.135 -4.927 456 HG2 GLU 140 2HG GLU 140 -5.282 7.029 -5.925 457 HG3 GLU 140 1HG GLU 140 -6.416 7.316 -4.622 458 H PHE 141 H PHE 141 -6.172 3.785 -1.956 459 HA PHE 141 HA PHE 141 -4.793 1.398 -2.556 460 HB2 PHE 141 2HB PHE 141 -4.950 2.424 -0.287 461 HB3 PHE 141 1HB PHE 141 -6.637 1.925 -0.213 462 HD1 PHE 141 1HD PHE 141 -3.246 0.493 -0.949 463 HD2 PHE 141 2HD PHE 141 -7.143 -0.164 0.737 464 HE1 PHE 141 1HE PHE 141 -2.533 -1.751 -0.171 465 HE2 PHE 141 2HE PHE 141 -6.426 -2.409 1.513 466 HZ PHE 141 HZ PHE 141 -4.122 -3.202 1.060 467 H VAL 142 H VAL 142 -8.249 1.894 -1.747 468 HA VAL 142 HA VAL 142 -9.062 -0.743 -2.272 469 HB VAL 142 HB VAL 142 -10.441 1.004 -1.112 470 HG11 VAL 142 1HG1 VAL 142 -11.073 1.972 -3.897 471 HG12 VAL 142 2HG1 VAL 142 -9.926 2.752 -2.814 472 HG13 VAL 142 3HG1 VAL 142 -11.620 2.653 -2.362 473 HG21 VAL 142 3HG2 VAL 142 -11.354 -1.146 -2.175 474 HG22 VAL 142 1HG2 VAL 142 -11.924 -0.119 -3.490 475 HG23 VAL 142 2HG2 VAL 142 -12.519 0.134 -1.849 476 H LYS 143 H LYS 143 -8.869 2.094 -4.367 477 HA LYS 143 HA LYS 143 -9.962 0.939 -6.691 478 HB2 LYS 143 2HB LYS 143 -9.552 3.357 -6.351 479 HB3 LYS 143 1HB LYS 143 -7.824 3.073 -6.469 480 HG2 LYS 143 2HG LYS 143 -8.143 2.161 -8.749 481 HG3 LYS 143 1HG LYS 143 -9.873 2.489 -8.628 482 HD2 LYS 143 2HD LYS 143 -7.728 4.605 -8.308 483 HD3 LYS 143 1HD LYS 143 -8.558 4.284 -9.829 484 HE2 LYS 143 2HE LYS 143 -9.898 5.997 -8.997 485 HE3 LYS 143 1HE LYS 143 -10.738 4.617 -8.286 486 HZ1 LYS 143 3HZ LYS 143 -10.160 5.268 -6.259 487 HZ2 LYS 143 1HZ LYS 143 -9.641 6.730 -6.942 488 HZ3 LYS 143 2HZ LYS 143 -8.530 5.470 -6.694 489 H MET 144 H MET 144 -6.597 1.295 -5.626 490 HA MET 144 HA MET 144 -5.346 -0.066 -7.763 491 HB2 MET 144 2HB MET 144 -4.213 1.294 -5.966 492 HB3 MET 144 1HB MET 144 -4.430 -0.071 -4.896 493 HG2 MET 144 2HG MET 144 -3.145 -1.517 -6.420 494 HG3 MET 144 1HG MET 144 -2.940 -0.169 -7.537 495 HE1 MET 144 3HE MET 144 -1.127 -0.933 -3.464 496 HE2 MET 144 1HE MET 144 -2.669 -1.482 -4.134 497 HE3 MET 144 2HE MET 144 -2.550 0.104 -3.377 498 H MET 145 H MET 145 -6.702 -1.120 -4.731 499 HA MET 145 HA MET 145 -5.894 -3.862 -4.919 500 HB2 MET 145 2HB MET 145 -6.600 -2.831 -2.782 501 HB3 MET 145 1HB MET 145 -8.249 -2.710 -3.399 502 HG2 MET 145 2HG MET 145 -8.331 -5.163 -3.680 503 HG3 MET 145 1HG MET 145 -6.672 -5.284 -3.092 504 HE1 MET 145 3HE MET 145 -6.077 -3.853 -0.675 505 HE2 MET 145 1HE MET 145 -6.005 -5.609 -0.871 506 HE3 MET 145 2HE MET 145 -6.739 -4.910 0.569 507 H MET 146 H MET 146 -8.791 -2.100 -5.937 508 HA MET 146 HA MET 146 -10.318 -4.328 -6.734 509 HB2 MET 146 2HB MET 146 -10.296 -1.424 -7.552 510 HB3 MET 146 1HB MET 146 -11.367 -2.574 -8.352 511 HG2 MET 146 2HG MET 146 -11.262 -2.244 -5.345 512 HG3 MET 146 1HG MET 146 -12.387 -1.357 -6.370 513 HE1 MET 146 3HE MET 146 -13.686 -2.937 -4.157 514 HE2 MET 146 1HE MET 146 -14.977 -3.722 -5.075 515 HE3 MET 146 2HE MET 146 -14.484 -2.078 -5.472 516 H THR 147 H THR 147 -7.830 -2.442 -8.377 517 HA THR 147 HA THR 147 -8.135 -3.461 -10.974 518 HB THR 147 HB THR 147 -5.521 -2.732 -9.639 519 HG1 THR 147 1HG THR 147 -7.724 -1.253 -10.391 520 HG21 THR 147 3HG2 THR 147 -4.972 -2.009 -11.983 521 HG22 THR 147 1HG2 THR 147 -6.484 -2.747 -12.512 522 HG23 THR 147 2HG2 THR 147 -5.210 -3.749 -11.815 523 H VAL 148 H VAL 148 -5.489 -4.417 -8.791 524 HA VAL 148 HA VAL 148 -4.928 -6.814 -10.136 525 HB VAL 148 HB VAL 148 -4.311 -5.949 -7.309 526 HG11 VAL 148 1HG1 VAL 148 -3.429 -8.370 -8.893 527 HG12 VAL 148 2HG1 VAL 148 -4.157 -8.334 -7.287 528 HG13 VAL 148 3HG1 VAL 148 -2.510 -7.748 -7.523 529 HG21 VAL 148 3HG2 VAL 148 -3.288 -4.569 -9.056 530 HG22 VAL 148 1HG2 VAL 148 -2.700 -6.014 -9.880 531 HG23 VAL 148 2HG2 VAL 148 -2.053 -5.574 -8.299 532 H ARG 149 H ARG 149 -6.913 -6.165 -7.287 533 HA ARG 149 HA ARG 149 -8.437 -8.606 -7.787 534 HB2 ARG 149 2HB ARG 149 -8.177 -9.220 -5.300 535 HB3 ARG 149 1HB ARG 149 -6.831 -9.591 -6.378 536 HG2 ARG 149 2HG ARG 149 -5.695 -7.514 -5.701 537 HG3 ARG 149 1HG ARG 149 -7.043 -7.117 -4.635 538 HD2 ARG 149 2HD ARG 149 -5.389 -9.642 -4.409 539 HD3 ARG 149 1HD ARG 149 -5.098 -8.187 -3.461 540 HE ARG 149 HE ARG 149 -7.753 -8.773 -3.036 541 HH11 ARG 149 1HH2 ARG 149 -4.726 -10.422 -2.748 542 HH12 ARG 149 2HH2 ARG 149 -5.234 -11.414 -1.422 543 HH21 ARG 149 1HH1 ARG 149 -8.429 -10.070 -1.294 544 HH22 ARG 149 2HH1 ARG 149 -7.331 -11.214 -0.599 Start of MODEL 4 1 H1 ASP 80 1HT ASP 80 -20.216 -6.205 5.374 2 H2 ASP 80 2HT ASP 80 -19.181 -5.262 4.411 3 H3 ASP 80 3HT ASP 80 -19.086 -5.175 6.106 4 HA ASP 80 HA ASP 80 -17.964 -7.117 6.311 5 HB2 ASP 80 2HB ASP 80 -19.849 -8.326 5.108 6 HB3 ASP 80 1HB ASP 80 -18.982 -8.011 3.609 7 H ALA 81 H ALA 81 -18.075 -6.523 2.800 8 HA ALA 81 HA ALA 81 -15.357 -6.754 2.326 9 HB1 ALA 81 1HB ALA 81 -16.789 -6.618 0.433 10 HB2 ALA 81 2HB ALA 81 -15.794 -5.163 0.371 11 HB3 ALA 81 3HB ALA 81 -17.457 -5.071 0.953 12 H GLU 82 H GLU 82 -17.205 -3.819 3.145 13 HA GLU 82 HA GLU 82 -14.981 -2.083 3.124 14 HB2 GLU 82 2HB GLU 82 -17.613 -1.646 3.231 15 HB3 GLU 82 1HB GLU 82 -17.293 -1.534 4.960 16 HG2 GLU 82 2HG GLU 82 -15.928 0.057 2.772 17 HG3 GLU 82 1HG GLU 82 -17.095 0.679 3.939 18 H GLU 83 H GLU 83 -16.351 -4.158 5.582 19 HA GLU 83 HA GLU 83 -14.937 -3.104 7.807 20 HB2 GLU 83 2HB GLU 83 -16.847 -4.680 8.029 21 HB3 GLU 83 1HB GLU 83 -15.831 -5.967 7.379 22 HG2 GLU 83 2HG GLU 83 -14.245 -5.678 9.234 23 HG3 GLU 83 1HG GLU 83 -15.225 -4.362 9.879 24 H GLU 84 H GLU 84 -14.283 -6.226 6.223 25 HA GLU 84 HA GLU 84 -11.767 -6.704 7.141 26 HB2 GLU 84 2HB GLU 84 -12.811 -7.192 4.339 27 HB3 GLU 84 1HB GLU 84 -11.329 -7.899 4.982 28 HG2 GLU 84 2HG GLU 84 -14.074 -8.245 6.222 29 HG3 GLU 84 1HG GLU 84 -13.297 -9.428 5.172 30 H LEU 85 H LEU 85 -12.629 -4.474 4.497 31 HA LEU 85 HA LEU 85 -9.996 -3.931 3.650 32 HB2 LEU 85 2HB LEU 85 -12.583 -2.396 3.515 33 HB3 LEU 85 1HB LEU 85 -11.087 -1.681 2.925 34 HG LEU 85 HG LEU 85 -12.097 -4.398 2.034 35 HD11 LEU 85 1HD1 LEU 85 -13.767 -2.870 1.301 36 HD12 LEU 85 2HD1 LEU 85 -12.712 -3.106 -0.090 37 HD13 LEU 85 3HD1 LEU 85 -12.571 -1.643 0.885 38 HD21 LEU 85 3HD2 LEU 85 -9.866 -4.382 1.394 39 HD22 LEU 85 1HD2 LEU 85 -9.786 -2.625 1.288 40 HD23 LEU 85 2HD2 LEU 85 -10.553 -3.554 0.004 41 H LYS 86 H LYS 86 -12.030 -2.375 6.123 42 HA LYS 86 HA LYS 86 -10.178 -0.353 6.806 43 HB2 LYS 86 2HB LYS 86 -12.490 -1.627 8.246 44 HB3 LYS 86 1HB LYS 86 -11.430 -0.518 9.115 45 HG2 LYS 86 2HG LYS 86 -11.854 1.229 7.443 46 HG3 LYS 86 1HG LYS 86 -12.881 0.123 6.529 47 HD2 LYS 86 2HD LYS 86 -14.512 0.039 8.263 48 HD3 LYS 86 1HD LYS 86 -13.422 0.796 9.426 49 HE2 LYS 86 2HE LYS 86 -15.055 2.440 8.634 50 HE3 LYS 86 1HE LYS 86 -13.445 2.872 8.060 51 HZ1 LYS 86 3HZ LYS 86 -13.959 1.818 5.946 52 HZ2 LYS 86 1HZ LYS 86 -15.066 3.054 6.296 53 HZ3 LYS 86 2HZ LYS 86 -15.517 1.430 6.501 54 H GLU 87 H GLU 87 -10.604 -3.665 8.007 55 HA GLU 87 HA GLU 87 -8.654 -3.488 10.054 56 HB2 GLU 87 2HB GLU 87 -10.415 -5.312 9.732 57 HB3 GLU 87 1HB GLU 87 -9.342 -5.996 8.511 58 HG2 GLU 87 2HG GLU 87 -8.438 -5.395 11.343 59 HG3 GLU 87 1HG GLU 87 -9.078 -6.959 10.852 60 H ALA 88 H ALA 88 -8.450 -4.860 6.762 61 HA ALA 88 HA ALA 88 -5.730 -5.482 6.780 62 HB1 ALA 88 1HB ALA 88 -5.842 -5.464 4.363 63 HB2 ALA 88 2HB ALA 88 -7.291 -4.462 4.395 64 HB3 ALA 88 3HB ALA 88 -7.354 -6.122 4.985 65 H PHE 89 H PHE 89 -7.322 -2.469 5.709 66 HA PHE 89 HA PHE 89 -5.013 -1.061 5.019 67 HB2 PHE 89 2HB PHE 89 -7.333 -0.325 4.507 68 HB3 PHE 89 1HB PHE 89 -7.544 0.082 6.213 69 HD1 PHE 89 1HD PHE 89 -5.997 1.801 7.267 70 HD2 PHE 89 2HD PHE 89 -6.181 1.139 3.030 71 HE1 PHE 89 1HE PHE 89 -4.922 4.000 6.875 72 HE2 PHE 89 2HE PHE 89 -5.112 3.333 2.638 73 HZ PHE 89 HZ PHE 89 -4.477 4.762 4.557 74 H LYS 90 H LYS 90 -6.666 -1.397 8.129 75 HA LYS 90 HA LYS 90 -5.112 0.434 9.590 76 HB2 LYS 90 2HB LYS 90 -7.248 -0.604 10.375 77 HB3 LYS 90 1HB LYS 90 -6.376 -2.116 10.622 78 HG2 LYS 90 2HG LYS 90 -4.885 -1.039 12.231 79 HG3 LYS 90 1HG LYS 90 -5.654 0.521 11.933 80 HD2 LYS 90 2HD LYS 90 -7.800 -0.375 12.766 81 HD3 LYS 90 1HD LYS 90 -7.032 -1.933 13.068 82 HE2 LYS 90 2HE LYS 90 -7.136 -0.634 15.145 83 HE3 LYS 90 1HE LYS 90 -5.459 -0.834 14.643 84 HZ1 LYS 90 3HZ LYS 90 -7.034 1.559 14.861 85 HZ2 LYS 90 1HZ LYS 90 -6.219 1.437 13.380 86 HZ3 LYS 90 2HZ LYS 90 -5.346 1.369 14.836 87 H VAL 91 H VAL 91 -4.530 -2.923 8.674 88 HA VAL 91 HA VAL 91 -2.319 -3.344 10.433 89 HB VAL 91 HB VAL 91 -3.124 -4.723 7.861 90 HG11 VAL 91 1HG1 VAL 91 -0.779 -5.117 8.097 91 HG12 VAL 91 2HG1 VAL 91 -1.568 -6.537 8.782 92 HG13 VAL 91 3HG1 VAL 91 -0.912 -5.294 9.847 93 HG21 VAL 91 3HG2 VAL 91 -3.971 -6.442 9.351 94 HG22 VAL 91 1HG2 VAL 91 -4.644 -4.896 9.865 95 HG23 VAL 91 2HG2 VAL 91 -3.303 -5.612 10.756 96 H PHE 92 H PHE 92 -2.550 -2.412 7.002 97 HA PHE 92 HA PHE 92 0.277 -2.172 6.628 98 HB2 PHE 92 2HB PHE 92 -1.725 -0.615 5.003 99 HB3 PHE 92 1HB PHE 92 -0.192 -1.321 4.493 100 HD1 PHE 92 2HD PHE 92 -0.425 -4.084 5.644 101 HD2 PHE 92 1HD PHE 92 -3.302 -1.636 3.599 102 HE1 PHE 92 2HE PHE 92 -1.637 -6.110 4.926 103 HE2 PHE 92 1HE PHE 92 -4.519 -3.667 2.890 104 HZ PHE 92 HZ PHE 92 -3.687 -5.909 3.547 105 H ASP 93 H ASP 93 -2.245 0.034 7.663 106 HA ASP 93 HA ASP 93 -0.647 2.396 7.492 107 HB2 ASP 93 2HB ASP 93 -3.211 2.219 7.587 108 HB3 ASP 93 1HB ASP 93 -3.011 2.026 9.327 109 H LYS 94 H LYS 94 1.140 0.922 8.597 110 HA LYS 94 HA LYS 94 1.167 0.388 11.311 111 HB2 LYS 94 2HB LYS 94 3.004 -0.065 9.545 112 HB3 LYS 94 1HB LYS 94 3.585 1.553 9.931 113 HG2 LYS 94 2HG LYS 94 4.823 0.288 11.447 114 HG3 LYS 94 1HG LYS 94 3.422 0.688 12.437 115 HD2 LYS 94 2HD LYS 94 2.395 -1.488 11.868 116 HD3 LYS 94 1HD LYS 94 3.785 -1.881 10.858 117 HE2 LYS 94 2HE LYS 94 4.126 -2.950 12.990 118 HE3 LYS 94 1HE LYS 94 5.239 -1.584 12.906 119 HZ1 LYS 94 3HZ LYS 94 3.834 -0.291 14.266 120 HZ2 LYS 94 1HZ LYS 94 3.954 -1.801 15.029 121 HZ3 LYS 94 2HZ LYS 94 2.555 -1.404 14.149 122 H ASP 95 H ASP 95 2.032 3.452 9.700 123 HA ASP 95 HA ASP 95 2.594 4.843 12.120 124 HB2 ASP 95 2HB ASP 95 1.695 6.170 9.566 125 HB3 ASP 95 1HB ASP 95 2.823 6.765 10.779 126 H GLN 96 H GLN 96 -0.261 3.713 10.822 127 HA GLN 96 HA GLN 96 -2.491 4.179 11.162 128 HB2 GLN 96 2HB GLN 96 -1.508 3.721 13.517 129 HB3 GLN 96 1HB GLN 96 -1.637 5.462 13.754 130 HG2 GLN 96 2HG GLN 96 -3.689 4.639 14.581 131 HG3 GLN 96 1HG GLN 96 -4.095 5.183 12.955 132 HE21 GLN 96 1HE2 GLN 96 -3.155 2.219 14.759 133 HE22 GLN 96 2HE2 GLN 96 -3.986 1.155 13.731 134 H ASN 97 H ASN 97 -0.924 6.217 9.764 135 HA ASN 97 HA ASN 97 -1.987 8.771 10.714 136 HB2 ASN 97 2HB ASN 97 -0.649 9.746 8.922 137 HB3 ASN 97 1HB ASN 97 0.329 8.641 9.884 138 HD21 ASN 97 1HD2 ASN 97 1.167 9.216 7.267 139 HD22 ASN 97 2HD2 ASN 97 0.931 7.851 6.285 140 H GLY 98 H GLY 98 -3.352 6.315 9.075 141 HA2 GLY 98 2HA GLY 98 -5.384 6.304 7.952 142 HA3 GLY 98 1HA GLY 98 -5.302 8.057 7.828 143 H TYR 99 H TYR 99 -2.371 7.227 6.790 144 HA TYR 99 HA TYR 99 -3.192 6.711 3.979 145 HB2 TYR 99 2HB TYR 99 -1.235 8.742 5.070 146 HB3 TYR 99 1HB TYR 99 -1.230 8.224 3.383 147 HD1 TYR 99 1HD TYR 99 -3.325 9.768 6.039 148 HD2 TYR 99 2HD TYR 99 -2.844 9.014 1.847 149 HE1 TYR 99 1HE TYR 99 -5.195 11.316 5.551 150 HE2 TYR 99 2HE TYR 99 -4.713 10.563 1.354 151 HH TYR 99 HH TYR 99 -5.743 12.773 2.957 152 H ILE 100 H ILE 100 -2.018 5.122 2.959 153 HA ILE 100 HA ILE 100 0.044 3.758 4.521 154 HB ILE 100 HB ILE 100 -0.843 3.083 1.712 155 HG12 ILE 100 2HG1 ILE 100 -1.988 2.062 4.335 156 HG13 ILE 100 1HG1 ILE 100 -2.789 3.194 3.252 157 HG21 ILE 100 1HG2 ILE 100 0.364 1.442 3.953 158 HG22 ILE 100 2HG2 ILE 100 1.242 2.043 2.546 159 HG23 ILE 100 3HG2 ILE 100 -0.040 0.849 2.342 160 HD11 ILE 100 3HD1 ILE 100 -3.655 1.020 2.717 161 HD12 ILE 100 1HD1 ILE 100 -2.036 0.320 2.680 162 HD13 ILE 100 2HD1 ILE 100 -2.538 1.448 1.421 163 H SER 101 H SER 101 2.168 4.012 4.265 164 HA SER 101 HA SER 101 3.111 5.871 2.167 165 HB2 SER 101 2HB SER 101 4.738 4.799 4.468 166 HB3 SER 101 1HB SER 101 5.013 6.254 3.515 167 HG SER 101 HG SER 101 3.912 6.338 5.723 168 H ALA 102 H ALA 102 5.049 5.383 0.974 169 HA ALA 102 HA ALA 102 5.033 2.918 -0.301 170 HB1 ALA 102 1HB ALA 102 7.479 4.666 0.061 171 HB2 ALA 102 2HB ALA 102 6.209 4.973 -1.125 172 HB3 ALA 102 3HB ALA 102 7.184 3.507 -1.236 173 H SER 103 H SER 103 6.948 3.978 2.494 174 HA SER 103 HA SER 103 8.541 1.689 2.750 175 HB2 SER 103 2HB SER 103 8.793 2.365 5.117 176 HB3 SER 103 1HB SER 103 8.988 3.727 4.017 177 HG SER 103 HG SER 103 6.636 4.032 4.405 178 H GLU 104 H GLU 104 5.277 2.376 4.025 179 HA GLU 104 HA GLU 104 5.055 -0.039 5.476 180 HB2 GLU 104 2HB GLU 104 3.059 1.949 4.399 181 HB3 GLU 104 1HB GLU 104 2.589 0.556 5.345 182 HG2 GLU 104 2HG GLU 104 4.226 1.333 7.121 183 HG3 GLU 104 1HG GLU 104 4.388 2.818 6.196 184 H LEU 105 H LEU 105 4.168 0.923 2.182 185 HA LEU 105 HA LEU 105 2.714 -1.383 1.488 186 HB2 LEU 105 2HB LEU 105 3.130 0.925 0.232 187 HB3 LEU 105 1HB LEU 105 4.420 0.024 -0.549 188 HG LEU 105 HG LEU 105 2.456 -0.168 -1.932 189 HD11 LEU 105 1HD1 LEU 105 2.314 -2.504 -2.169 190 HD12 LEU 105 2HD1 LEU 105 2.504 -2.786 -0.442 191 HD13 LEU 105 3HD1 LEU 105 3.883 -2.257 -1.409 192 HD21 LEU 105 3HD2 LEU 105 0.933 0.229 0.244 193 HD22 LEU 105 1HD2 LEU 105 0.817 -1.530 0.183 194 HD23 LEU 105 2HD2 LEU 105 0.303 -0.563 -1.195 195 H ARG 106 H ARG 106 6.166 -0.634 1.268 196 HA ARG 106 HA ARG 106 6.903 -3.045 -0.042 197 HB2 ARG 106 2HB ARG 106 9.028 -2.198 0.024 198 HB3 ARG 106 1HB ARG 106 8.245 -0.732 0.602 199 HG2 ARG 106 2HG ARG 106 8.585 -1.566 2.952 200 HG3 ARG 106 1HG ARG 106 9.506 -2.913 2.301 201 HD2 ARG 106 2HD ARG 106 11.068 -1.290 1.271 202 HD3 ARG 106 1HD ARG 106 10.162 0.025 2.024 203 HE ARG 106 HE ARG 106 11.965 -1.817 3.357 204 HH11 ARG 106 1HH2 ARG 106 9.268 0.333 3.645 205 HH12 ARG 106 2HH2 ARG 106 9.528 0.659 5.325 206 HH21 ARG 106 1HH1 ARG 106 12.296 -1.413 5.569 207 HH22 ARG 106 2HH1 ARG 106 11.241 -0.331 6.415 208 H HIS 107 H HIS 107 6.762 -2.115 3.387 209 HA HIS 107 HA HIS 107 7.849 -4.399 4.517 210 HB2 HIS 107 2HB HIS 107 7.163 -2.361 5.777 211 HB3 HIS 107 1HB HIS 107 5.479 -2.849 5.589 212 HD1 HIS 107 1HD HIS 107 4.617 -4.143 7.523 213 HD2 HIS 107 2HD HIS 107 8.717 -4.709 7.024 214 HE1 HIS 107 1HE HIS 107 5.358 -5.691 9.385 215 HE2 HIS 107 2HE HIS 107 7.856 -6.046 9.094 216 H VAL 108 H VAL 108 4.577 -3.806 3.356 217 HA VAL 108 HA VAL 108 3.513 -6.312 4.171 218 HB VAL 108 HB VAL 108 2.648 -4.410 1.981 219 HG11 VAL 108 1HG1 VAL 108 1.743 -6.559 1.429 220 HG12 VAL 108 2HG1 VAL 108 0.453 -5.688 2.258 221 HG13 VAL 108 3HG1 VAL 108 1.382 -6.914 3.119 222 HG21 VAL 108 3HG2 VAL 108 1.592 -4.927 4.780 223 HG22 VAL 108 1HG2 VAL 108 0.953 -3.749 3.634 224 HG23 VAL 108 2HG2 VAL 108 2.568 -3.535 4.309 225 H MET 109 H MET 109 5.083 -5.184 1.174 226 HA MET 109 HA MET 109 4.593 -7.476 -0.377 227 HB2 MET 109 2HB MET 109 6.787 -5.400 -0.408 228 HB3 MET 109 1HB MET 109 6.758 -6.724 -1.566 229 HG2 MET 109 2HG MET 109 4.432 -4.842 -1.127 230 HG3 MET 109 1HG MET 109 5.649 -4.615 -2.382 231 HE1 MET 109 3HE MET 109 3.263 -4.428 -3.529 232 HE2 MET 109 1HE MET 109 2.212 -5.313 -2.415 233 HE3 MET 109 2HE MET 109 2.329 -5.808 -4.102 234 H ILE 110 H ILE 110 7.329 -6.719 1.795 235 HA ILE 110 HA ILE 110 8.724 -9.165 1.315 236 HB ILE 110 HB ILE 110 8.844 -7.034 3.448 237 HG12 ILE 110 2HG1 ILE 110 11.072 -6.699 2.581 238 HG13 ILE 110 1HG1 ILE 110 10.990 -8.188 1.646 239 HG21 ILE 110 1HG2 ILE 110 10.858 -8.395 4.349 240 HG22 ILE 110 2HG2 ILE 110 10.109 -9.776 3.548 241 HG23 ILE 110 3HG2 ILE 110 9.242 -8.920 4.823 242 HD11 ILE 110 3HD1 ILE 110 9.067 -5.910 1.207 243 HD12 ILE 110 1HD1 ILE 110 9.377 -7.273 0.142 244 HD13 ILE 110 2HD1 ILE 110 10.595 -6.018 0.350 245 H ASN 111 H ASN 111 6.348 -8.145 3.767 246 HA ASN 111 HA ASN 111 6.424 -10.483 5.334 247 HB2 ASN 111 2HB ASN 111 5.364 -8.440 6.126 248 HB3 ASN 111 1HB ASN 111 4.150 -8.540 4.857 249 HD21 ASN 111 1HD2 ASN 111 3.098 -8.496 7.379 250 HD22 ASN 111 2HD2 ASN 111 2.593 -10.042 7.865 251 H LEU 112 H LEU 112 4.611 -9.640 2.432 252 HA LEU 112 HA LEU 112 3.048 -12.057 2.478 253 HB2 LEU 112 2HB LEU 112 3.295 -9.671 0.736 254 HB3 LEU 112 1HB LEU 112 2.770 -11.137 -0.072 255 HG LEU 112 HG LEU 112 0.900 -9.681 0.833 256 HD11 LEU 112 1HD1 LEU 112 -0.455 -11.508 1.308 257 HD12 LEU 112 2HD1 LEU 112 0.768 -12.316 2.281 258 HD13 LEU 112 3HD1 LEU 112 0.897 -12.320 0.524 259 HD21 LEU 112 3HD2 LEU 112 1.472 -10.746 3.583 260 HD22 LEU 112 1HD2 LEU 112 0.613 -9.288 3.097 261 HD23 LEU 112 2HD2 LEU 112 2.369 -9.333 3.044 262 H GLY 113 H GLY 113 6.212 -11.523 1.847 263 HA2 GLY 113 2HA GLY 113 7.795 -13.092 1.128 264 HA3 GLY 113 1HA GLY 113 6.488 -14.073 0.470 265 H GLU 114 H GLU 114 6.401 -10.757 -0.344 266 HA GLU 114 HA GLU 114 7.418 -11.343 -3.073 267 HB2 GLU 114 2HB GLU 114 5.315 -9.386 -2.115 268 HB3 GLU 114 1HB GLU 114 5.968 -9.403 -3.752 269 HG2 GLU 114 2HG GLU 114 4.646 -11.788 -2.431 270 HG3 GLU 114 1HG GLU 114 3.814 -10.674 -3.514 271 H LYS 115 H LYS 115 9.169 -10.249 -3.720 272 HA LYS 115 HA LYS 115 9.870 -7.716 -2.348 273 HB2 LYS 115 2HB LYS 115 11.417 -10.241 -2.542 274 HB3 LYS 115 1HB LYS 115 12.331 -8.781 -2.901 275 HG2 LYS 115 2HG LYS 115 11.712 -7.819 -0.759 276 HG3 LYS 115 1HG LYS 115 10.658 -9.190 -0.418 277 HD2 LYS 115 2HD LYS 115 12.668 -9.658 0.775 278 HD3 LYS 115 1HD LYS 115 12.746 -10.667 -0.668 279 HE2 LYS 115 2HE LYS 115 14.263 -9.132 -1.751 280 HE3 LYS 115 1HE LYS 115 14.029 -7.925 -0.487 281 HZ1 LYS 115 3HZ LYS 115 16.020 -9.716 -0.542 282 HZ2 LYS 115 1HZ LYS 115 14.899 -10.515 0.447 283 HZ3 LYS 115 2HZ LYS 115 15.448 -8.964 0.870 284 H LEU 116 H LEU 116 9.659 -6.223 -3.851 285 HA LEU 116 HA LEU 116 10.781 -6.723 -6.548 286 HB2 LEU 116 2HB LEU 116 8.539 -4.830 -5.798 287 HB3 LEU 116 1HB LEU 116 9.130 -5.168 -7.421 288 HG LEU 116 HG LEU 116 7.879 -7.213 -5.563 289 HD11 LEU 116 1HD1 LEU 116 6.185 -5.671 -6.325 290 HD12 LEU 116 2HD1 LEU 116 6.027 -7.148 -7.277 291 HD13 LEU 116 3HD1 LEU 116 6.804 -5.726 -7.976 292 HD21 LEU 116 3HD2 LEU 116 9.294 -8.460 -6.964 293 HD22 LEU 116 1HD2 LEU 116 9.097 -7.350 -8.321 294 HD23 LEU 116 2HD2 LEU 116 7.794 -8.454 -7.886 295 H THR 117 H THR 117 11.542 -4.683 -7.628 296 HA THR 117 HA THR 117 13.339 -3.299 -5.862 297 HB THR 117 HB THR 117 14.277 -3.554 -7.977 298 HG1 THR 117 1HG THR 117 14.705 -1.523 -8.111 299 HG21 THR 117 3HG2 THR 117 12.487 -4.435 -9.235 300 HG22 THR 117 1HG2 THR 117 12.881 -2.930 -10.064 301 HG23 THR 117 2HG2 THR 117 11.491 -3.002 -8.984 302 H ASP 118 H ASP 118 13.442 -0.869 -5.840 303 HA ASP 118 HA ASP 118 11.024 0.188 -4.842 304 HB2 ASP 118 2HB ASP 118 13.275 1.029 -4.214 305 HB3 ASP 118 1HB ASP 118 13.434 1.730 -5.824 306 H GLU 119 H GLU 119 12.566 0.405 -8.020 307 HA GLU 119 HA GLU 119 10.989 2.409 -9.147 308 HB2 GLU 119 2HB GLU 119 12.258 -0.036 -10.392 309 HB3 GLU 119 1HB GLU 119 11.487 1.243 -11.331 310 HG2 GLU 119 2HG GLU 119 13.023 2.899 -10.408 311 HG3 GLU 119 1HG GLU 119 13.755 1.679 -9.366 312 H GLU 120 H GLU 120 10.342 -1.062 -8.779 313 HA GLU 120 HA GLU 120 7.890 -0.989 -10.268 314 HB2 GLU 120 2HB GLU 120 9.107 -2.984 -8.354 315 HB3 GLU 120 1HB GLU 120 7.507 -3.219 -9.058 316 HG2 GLU 120 2HG GLU 120 9.987 -2.694 -10.714 317 HG3 GLU 120 1HG GLU 120 9.400 -4.314 -10.341 318 H VAL 121 H VAL 121 8.672 -1.051 -6.786 319 HA VAL 121 HA VAL 121 5.987 -0.880 -5.906 320 HB VAL 121 HB VAL 121 8.567 -0.065 -4.549 321 HG11 VAL 121 1HG1 VAL 121 6.853 1.141 -3.421 322 HG12 VAL 121 2HG1 VAL 121 7.081 -0.322 -2.462 323 HG13 VAL 121 3HG1 VAL 121 5.710 -0.195 -3.565 324 HG21 VAL 121 3HG2 VAL 121 8.202 -2.497 -5.175 325 HG22 VAL 121 1HG2 VAL 121 6.789 -2.484 -4.121 326 HG23 VAL 121 2HG2 VAL 121 8.395 -2.205 -3.446 327 H GLU 122 H GLU 122 8.482 1.591 -6.428 328 HA GLU 122 HA GLU 122 6.964 3.816 -5.619 329 HB2 GLU 122 2HB GLU 122 9.439 3.811 -6.073 330 HB3 GLU 122 1HB GLU 122 9.068 3.794 -7.797 331 HG2 GLU 122 2HG GLU 122 9.412 6.092 -7.194 332 HG3 GLU 122 1HG GLU 122 7.676 5.882 -7.405 333 H GLN 123 H GLN 123 7.182 2.123 -8.719 334 HA GLN 123 HA GLN 123 5.721 3.977 -10.267 335 HB2 GLN 123 2HB GLN 123 7.028 2.121 -11.248 336 HB3 GLN 123 1HB GLN 123 5.886 0.961 -10.572 337 HG2 GLN 123 2HG GLN 123 4.069 1.950 -11.900 338 HG3 GLN 123 1HG GLN 123 5.178 3.160 -12.539 339 HE21 GLN 123 1HE2 GLN 123 3.790 1.351 -14.269 340 HE22 GLN 123 2HE2 GLN 123 4.928 0.307 -14.972 341 H MET 124 H MET 124 4.655 1.128 -8.383 342 HA MET 124 HA MET 124 1.928 1.366 -9.061 343 HB2 MET 124 2HB MET 124 3.419 0.039 -6.802 344 HB3 MET 124 1HB MET 124 1.670 0.003 -6.905 345 HG2 MET 124 2HG MET 124 1.865 -0.954 -9.214 346 HG3 MET 124 1HG MET 124 3.610 -1.036 -8.980 347 HE1 MET 124 3HE MET 124 4.295 -3.672 -6.481 348 HE2 MET 124 1HE MET 124 3.968 -2.047 -5.869 349 HE3 MET 124 2HE MET 124 4.813 -2.261 -7.400 350 H ILE 125 H ILE 125 3.892 2.701 -6.432 351 HA ILE 125 HA ILE 125 1.772 3.800 -4.918 352 HB ILE 125 HB ILE 125 4.660 4.668 -5.240 353 HG12 ILE 125 2HG1 ILE 125 3.976 2.332 -4.241 354 HG13 ILE 125 1HG1 ILE 125 5.168 3.311 -3.398 355 HG21 ILE 125 1HG2 ILE 125 4.197 5.778 -2.969 356 HG22 ILE 125 2HG2 ILE 125 2.486 5.600 -3.361 357 HG23 ILE 125 3HG2 ILE 125 3.531 6.575 -4.394 358 HD11 ILE 125 3HD1 ILE 125 3.316 2.280 -1.963 359 HD12 ILE 125 1HD1 ILE 125 2.230 3.436 -2.719 360 HD13 ILE 125 2HD1 ILE 125 3.585 4.011 -1.763 361 H LYS 126 H LYS 126 3.805 5.116 -7.478 362 HA LYS 126 HA LYS 126 2.584 7.683 -7.562 363 HB2 LYS 126 2HB LYS 126 4.300 6.170 -9.491 364 HB3 LYS 126 1HB LYS 126 3.660 7.766 -9.880 365 HG2 LYS 126 2HG LYS 126 4.703 8.676 -7.842 366 HG3 LYS 126 1HG LYS 126 5.343 7.078 -7.457 367 HD2 LYS 126 2HD LYS 126 6.685 7.077 -9.496 368 HD3 LYS 126 1HD LYS 126 5.974 8.611 -9.999 369 HE2 LYS 126 2HE LYS 126 6.947 9.730 -8.045 370 HE3 LYS 126 1HE LYS 126 7.624 8.203 -7.486 371 HZ1 LYS 126 3HZ LYS 126 8.243 9.370 -10.138 372 HZ2 LYS 126 1HZ LYS 126 9.038 8.092 -9.356 373 HZ3 LYS 126 2HZ LYS 126 9.180 9.674 -8.754 374 H GLU 127 H GLU 127 2.075 4.711 -9.362 375 HA GLU 127 HA GLU 127 0.125 5.779 -11.139 376 HB2 GLU 127 2HB GLU 127 1.398 3.748 -11.618 377 HB3 GLU 127 1HB GLU 127 0.601 2.939 -10.284 378 HG2 GLU 127 2HG GLU 127 -1.042 4.229 -12.451 379 HG3 GLU 127 1HG GLU 127 -0.358 2.626 -12.699 380 H ALA 128 H ALA 128 0.003 4.117 -8.059 381 HA ALA 128 HA ALA 128 -2.841 3.791 -8.030 382 HB1 ALA 128 1HB ALA 128 -2.526 3.320 -5.607 383 HB2 ALA 128 2HB ALA 128 -0.824 3.756 -5.782 384 HB3 ALA 128 3HB ALA 128 -1.470 2.366 -6.653 385 H ASP 129 H ASP 129 -0.687 6.351 -7.080 386 HA ASP 129 HA ASP 129 -2.633 7.747 -5.498 387 HB2 ASP 129 2HB ASP 129 -0.119 7.870 -5.279 388 HB3 ASP 129 1HB ASP 129 -0.127 8.931 -6.671 389 H LEU 130 H LEU 130 -4.263 8.767 -6.277 390 HA LEU 130 HA LEU 130 -4.305 9.644 -9.041 391 HB2 LEU 130 2HB LEU 130 -6.262 8.522 -7.792 392 HB3 LEU 130 1HB LEU 130 -6.499 10.090 -7.024 393 HG LEU 130 HG LEU 130 -6.413 10.989 -9.524 394 HD11 LEU 130 1HD1 LEU 130 -7.571 8.242 -10.024 395 HD12 LEU 130 2HD1 LEU 130 -5.871 8.583 -10.322 396 HD13 LEU 130 3HD1 LEU 130 -7.112 9.470 -11.201 397 HD21 LEU 130 3HD2 LEU 130 -8.767 9.534 -8.283 398 HD22 LEU 130 1HD2 LEU 130 -8.899 10.601 -9.682 399 HD23 LEU 130 2HD2 LEU 130 -8.372 11.246 -8.128 400 H ASP 131 H ASP 131 -3.836 11.058 -5.895 401 HA ASP 131 HA ASP 131 -4.183 13.780 -7.000 402 HB2 ASP 131 2HB ASP 131 -4.114 14.501 -4.632 403 HB3 ASP 131 1HB ASP 131 -5.427 13.376 -4.964 404 H GLY 132 H GLY 132 -1.763 11.707 -7.039 405 HA2 GLY 132 2HA GLY 132 0.542 11.821 -6.832 406 HA3 GLY 132 1HA GLY 132 0.289 13.441 -7.470 407 H ASP 133 H ASP 133 -0.960 12.445 -4.330 408 HA ASP 133 HA ASP 133 0.390 14.624 -3.036 409 HB2 ASP 133 2HB ASP 133 -0.746 13.897 -1.040 410 HB3 ASP 133 1HB ASP 133 -1.877 13.773 -2.386 411 H GLY 134 H GLY 134 1.175 11.379 -3.719 412 HA2 GLY 134 2HA GLY 134 3.358 10.489 -3.489 413 HA3 GLY 134 1HA GLY 134 3.639 11.579 -2.133 414 H GLN 135 H GLN 135 0.661 10.602 -1.515 415 HA GLN 135 HA GLN 135 1.490 8.185 -0.019 416 HB2 GLN 135 2HB GLN 135 0.331 10.749 0.817 417 HB3 GLN 135 1HB GLN 135 -0.645 9.394 1.348 418 HG2 GLN 135 2HG GLN 135 1.220 8.388 2.468 419 HG3 GLN 135 1HG GLN 135 2.335 9.567 1.774 420 HE21 GLN 135 1HE2 GLN 135 -0.219 11.482 2.352 421 HE22 GLN 135 2HE2 GLN 135 0.077 11.935 3.960 422 H VAL 136 H VAL 136 0.140 6.457 -0.066 423 HA VAL 136 HA VAL 136 -1.982 6.502 -2.052 424 HB VAL 136 HB VAL 136 -1.011 4.310 -0.209 425 HG11 VAL 136 1HG1 VAL 136 -2.263 2.812 -1.734 426 HG12 VAL 136 2HG1 VAL 136 -2.886 4.223 -2.588 427 HG13 VAL 136 3HG1 VAL 136 -3.336 3.938 -0.909 428 HG21 VAL 136 3HG2 VAL 136 -0.476 4.938 -3.120 429 HG22 VAL 136 1HG2 VAL 136 -0.032 3.423 -2.334 430 HG23 VAL 136 2HG2 VAL 136 0.698 4.940 -1.802 431 H ASN 137 H ASN 137 -4.036 7.067 -1.560 432 HA ASN 137 HA ASN 137 -4.853 7.173 1.261 433 HB2 ASN 137 2HB ASN 137 -5.199 9.097 -0.403 434 HB3 ASN 137 1HB ASN 137 -6.448 8.091 -1.132 435 HD21 ASN 137 1HD2 ASN 137 -8.295 9.299 -0.434 436 HD22 ASN 137 2HD2 ASN 137 -8.695 9.504 1.203 437 H TYR 138 H TYR 138 -7.087 6.410 1.769 438 HA TYR 138 HA TYR 138 -7.424 3.721 1.424 439 HB2 TYR 138 2HB TYR 138 -8.708 5.138 3.015 440 HB3 TYR 138 1HB TYR 138 -9.693 5.709 1.667 441 HD1 TYR 138 1HD TYR 138 -8.563 2.585 3.380 442 HD2 TYR 138 2HD TYR 138 -11.578 4.466 0.966 443 HE1 TYR 138 1HE TYR 138 -9.983 0.565 3.582 444 HE2 TYR 138 2HE TYR 138 -12.999 2.443 1.168 445 HH TYR 138 HH TYR 138 -13.287 0.533 2.567 446 H GLU 139 H GLU 139 -9.050 6.237 -0.530 447 HA GLU 139 HA GLU 139 -10.393 4.476 -2.268 448 HB2 GLU 139 2HB GLU 139 -10.888 6.900 -2.086 449 HB3 GLU 139 1HB GLU 139 -9.362 7.251 -2.897 450 HG2 GLU 139 2HG GLU 139 -10.101 6.021 -4.883 451 HG3 GLU 139 1HG GLU 139 -11.603 5.580 -4.073 452 H GLU 140 H GLU 140 -7.147 5.919 -2.521 453 HA GLU 140 HA GLU 140 -6.618 4.860 -5.085 454 HB2 GLU 140 2HB GLU 140 -4.763 5.755 -2.893 455 HB3 GLU 140 1HB GLU 140 -4.234 5.302 -4.485 456 HG2 GLU 140 2HG GLU 140 -5.297 7.117 -5.523 457 HG3 GLU 140 1HG GLU 140 -6.405 7.356 -4.187 458 H PHE 141 H PHE 141 -6.000 3.661 -1.805 459 HA PHE 141 HA PHE 141 -4.560 1.348 -2.557 460 HB2 PHE 141 2HB PHE 141 -4.715 2.230 -0.218 461 HB3 PHE 141 1HB PHE 141 -6.388 1.683 -0.161 462 HD1 PHE 141 1HD PHE 141 -3.006 0.362 -1.132 463 HD2 PHE 141 2HD PHE 141 -6.778 -0.430 0.776 464 HE1 PHE 141 1HE PHE 141 -2.225 -1.910 -0.529 465 HE2 PHE 141 2HE PHE 141 -5.997 -2.704 1.368 466 HZ PHE 141 HZ PHE 141 -3.718 -3.444 0.717 467 H VAL 142 H VAL 142 -8.007 1.844 -1.837 468 HA VAL 142 HA VAL 142 -8.888 -0.758 -2.409 469 HB VAL 142 HB VAL 142 -10.288 1.918 -2.646 470 HG11 VAL 142 1HG1 VAL 142 -12.385 0.434 -2.565 471 HG12 VAL 142 2HG1 VAL 142 -11.324 -0.896 -3.031 472 HG13 VAL 142 3HG1 VAL 142 -11.518 0.494 -4.099 473 HG21 VAL 142 3HG2 VAL 142 -10.514 -0.316 -0.607 474 HG22 VAL 142 1HG2 VAL 142 -11.318 1.252 -0.539 475 HG23 VAL 142 2HG2 VAL 142 -9.565 1.153 -0.381 476 H LYS 143 H LYS 143 -8.613 2.104 -4.480 477 HA LYS 143 HA LYS 143 -9.604 0.956 -6.851 478 HB2 LYS 143 2HB LYS 143 -9.206 3.388 -6.409 479 HB3 LYS 143 1HB LYS 143 -7.484 3.097 -6.563 480 HG2 LYS 143 2HG LYS 143 -7.774 2.322 -8.862 481 HG3 LYS 143 1HG LYS 143 -9.526 2.470 -8.718 482 HD2 LYS 143 2HD LYS 143 -9.275 4.906 -8.325 483 HD3 LYS 143 1HD LYS 143 -7.530 4.746 -8.528 484 HE2 LYS 143 2HE LYS 143 -9.553 3.946 -10.638 485 HE3 LYS 143 1HE LYS 143 -8.727 5.504 -10.609 486 HZ1 LYS 143 3HZ LYS 143 -7.389 4.237 -11.970 487 HZ2 LYS 143 1HZ LYS 143 -7.607 2.819 -11.066 488 HZ3 LYS 143 2HZ LYS 143 -6.616 4.062 -10.467 489 H MET 144 H MET 144 -6.295 1.306 -5.627 490 HA MET 144 HA MET 144 -4.971 -0.031 -7.744 491 HB2 MET 144 2HB MET 144 -3.915 1.361 -5.904 492 HB3 MET 144 1HB MET 144 -4.094 -0.038 -4.864 493 HG2 MET 144 2HG MET 144 -2.839 -1.395 -6.578 494 HG3 MET 144 1HG MET 144 -2.521 0.103 -7.448 495 HE1 MET 144 3HE MET 144 -2.493 -1.782 -4.325 496 HE2 MET 144 1HE MET 144 -2.319 -0.386 -3.255 497 HE3 MET 144 2HE MET 144 -0.955 -1.465 -3.531 498 H MET 145 H MET 145 -6.352 -1.080 -4.712 499 HA MET 145 HA MET 145 -5.500 -3.781 -4.786 500 HB2 MET 145 2HB MET 145 -6.399 -2.729 -2.743 501 HB3 MET 145 1HB MET 145 -7.992 -2.636 -3.496 502 HG2 MET 145 2HG MET 145 -8.101 -5.063 -3.676 503 HG3 MET 145 1HG MET 145 -6.450 -5.215 -3.075 504 HE1 MET 145 3HE MET 145 -5.963 -5.830 -0.822 505 HE2 MET 145 1HE MET 145 -6.548 -4.921 0.578 506 HE3 MET 145 2HE MET 145 -5.726 -4.087 -0.737 507 H MET 146 H MET 146 -8.343 -2.129 -6.094 508 HA MET 146 HA MET 146 -9.712 -4.455 -6.953 509 HB2 MET 146 2HB MET 146 -9.827 -1.555 -7.784 510 HB3 MET 146 1HB MET 146 -10.804 -2.782 -8.593 511 HG2 MET 146 2HG MET 146 -10.814 -2.333 -5.596 512 HG3 MET 146 1HG MET 146 -11.990 -1.622 -6.697 513 HE1 MET 146 3HE MET 146 -14.329 -4.268 -7.715 514 HE2 MET 146 1HE MET 146 -13.242 -3.117 -8.504 515 HE3 MET 146 2HE MET 146 -14.167 -2.631 -7.085 516 H THR 147 H THR 147 -7.270 -2.397 -8.468 517 HA THR 147 HA THR 147 -7.286 -3.171 -11.083 518 HB THR 147 HB THR 147 -4.756 -3.092 -9.435 519 HG1 THR 147 1HG THR 147 -6.656 -1.187 -9.890 520 HG21 THR 147 3HG2 THR 147 -5.434 -2.380 -12.305 521 HG22 THR 147 1HG2 THR 147 -4.411 -3.707 -11.757 522 HG23 THR 147 2HG2 THR 147 -3.880 -2.041 -11.543 523 H VAL 148 H VAL 148 -6.869 -5.221 -8.401 524 HA VAL 148 HA VAL 148 -5.326 -7.260 -9.748 525 HB VAL 148 HB VAL 148 -5.525 -8.502 -7.737 526 HG11 VAL 148 1HG1 VAL 148 -5.035 -6.696 -5.964 527 HG12 VAL 148 2HG1 VAL 148 -5.239 -5.535 -7.270 528 HG13 VAL 148 3HG1 VAL 148 -3.984 -6.763 -7.375 529 HG21 VAL 148 3HG2 VAL 148 -7.737 -8.562 -7.039 530 HG22 VAL 148 1HG2 VAL 148 -7.995 -6.845 -7.337 531 HG23 VAL 148 2HG2 VAL 148 -7.127 -7.372 -5.892 532 H ARG 149 H ARG 149 -8.528 -6.262 -9.853 533 HA ARG 149 HA ARG 149 -9.872 -8.771 -10.022 534 HB2 ARG 149 2HB ARG 149 -11.030 -6.611 -9.576 535 HB3 ARG 149 1HB ARG 149 -10.682 -6.114 -11.234 536 HG2 ARG 149 2HG ARG 149 -11.973 -7.977 -12.118 537 HG3 ARG 149 1HG ARG 149 -12.228 -8.616 -10.494 538 HD2 ARG 149 2HD ARG 149 -14.222 -7.407 -11.162 539 HD3 ARG 149 1HD ARG 149 -13.408 -6.495 -9.896 540 HE ARG 149 HE ARG 149 -12.881 -4.835 -11.465 541 HH11 ARG 149 1HH2 ARG 149 -14.240 -7.654 -12.948 542 HH12 ARG 149 2HH2 ARG 149 -14.490 -6.894 -14.484 543 HH21 ARG 149 1HH1 ARG 149 -13.207 -3.834 -13.478 544 HH22 ARG 149 2HH1 ARG 149 -13.905 -4.732 -14.784 Start of MODEL 5 1 H1 ASP 80 1HT ASP 80 -19.573 -6.977 4.476 2 H2 ASP 80 2HT ASP 80 -18.775 -5.691 5.247 3 H3 ASP 80 3HT ASP 80 -19.722 -6.773 6.153 4 HA ASP 80 HA ASP 80 -17.629 -7.540 6.599 5 HB2 ASP 80 2HB ASP 80 -18.659 -8.958 4.139 6 HB3 ASP 80 1HB ASP 80 -17.302 -9.553 5.091 7 H ALA 81 H ALA 81 -17.785 -6.979 3.071 8 HA ALA 81 HA ALA 81 -15.028 -7.018 2.595 9 HB1 ALA 81 1HB ALA 81 -15.525 -5.664 0.589 10 HB2 ALA 81 2HB ALA 81 -17.142 -5.342 1.215 11 HB3 ALA 81 3HB ALA 81 -16.676 -6.986 0.779 12 H GLU 82 H GLU 82 -17.133 -4.239 3.368 13 HA GLU 82 HA GLU 82 -15.087 -2.315 3.378 14 HB2 GLU 82 2HB GLU 82 -17.760 -2.152 3.592 15 HB3 GLU 82 1HB GLU 82 -17.368 -1.999 5.304 16 HG2 GLU 82 2HG GLU 82 -16.266 -0.303 3.049 17 HG3 GLU 82 1HG GLU 82 -17.421 0.218 4.275 18 H GLU 83 H GLU 83 -16.084 -4.637 5.771 19 HA GLU 83 HA GLU 83 -14.660 -3.424 7.959 20 HB2 GLU 83 2HB GLU 83 -15.723 -6.222 7.552 21 HB3 GLU 83 1HB GLU 83 -14.925 -5.688 9.030 22 HG2 GLU 83 2HG GLU 83 -17.180 -5.306 9.509 23 HG3 GLU 83 1HG GLU 83 -16.663 -3.726 8.979 24 H GLU 84 H GLU 84 -14.030 -6.505 6.271 25 HA GLU 84 HA GLU 84 -11.457 -6.927 7.099 26 HB2 GLU 84 2HB GLU 84 -12.643 -7.458 4.366 27 HB3 GLU 84 1HB GLU 84 -11.090 -8.096 4.906 28 HG2 GLU 84 2HG GLU 84 -12.167 -9.257 6.761 29 HG3 GLU 84 1HG GLU 84 -13.724 -8.553 6.337 30 H LEU 85 H LEU 85 -12.432 -4.939 4.274 31 HA LEU 85 HA LEU 85 -9.814 -4.234 3.551 32 HB2 LEU 85 2HB LEU 85 -12.192 -3.840 2.374 33 HB3 LEU 85 1HB LEU 85 -12.048 -2.266 3.142 34 HG LEU 85 HG LEU 85 -11.077 -2.095 0.931 35 HD11 LEU 85 1HD1 LEU 85 -8.692 -2.371 2.755 36 HD12 LEU 85 2HD1 LEU 85 -9.886 -1.095 3.004 37 HD13 LEU 85 3HD1 LEU 85 -8.983 -1.174 1.504 38 HD21 LEU 85 3HD2 LEU 85 -9.761 -3.698 -0.058 39 HD22 LEU 85 1HD2 LEU 85 -10.486 -4.769 1.136 40 HD23 LEU 85 2HD2 LEU 85 -8.894 -4.076 1.427 41 H LYS 86 H LYS 86 -12.156 -2.603 5.688 42 HA LYS 86 HA LYS 86 -10.535 -0.363 6.257 43 HB2 LYS 86 2HB LYS 86 -12.955 -0.484 6.777 44 HB3 LYS 86 1HB LYS 86 -12.605 -1.653 8.051 45 HG2 LYS 86 2HG LYS 86 -11.201 -0.002 9.203 46 HG3 LYS 86 1HG LYS 86 -11.481 1.160 7.907 47 HD2 LYS 86 2HD LYS 86 -13.910 1.102 8.392 48 HD3 LYS 86 1HD LYS 86 -13.606 -0.026 9.714 49 HE2 LYS 86 2HE LYS 86 -12.494 2.788 9.503 50 HE3 LYS 86 1HE LYS 86 -13.799 2.273 10.571 51 HZ1 LYS 86 3HZ LYS 86 -10.947 1.507 10.662 52 HZ2 LYS 86 1HZ LYS 86 -12.137 0.596 11.454 53 HZ3 LYS 86 2HZ LYS 86 -11.888 2.221 11.883 54 H GLU 87 H GLU 87 -10.792 -3.555 7.806 55 HA GLU 87 HA GLU 87 -9.032 -2.955 9.953 56 HB2 GLU 87 2HB GLU 87 -9.868 -5.570 8.686 57 HB3 GLU 87 1HB GLU 87 -8.865 -5.455 10.125 58 HG2 GLU 87 2HG GLU 87 -10.604 -4.236 11.299 59 HG3 GLU 87 1HG GLU 87 -11.604 -4.218 9.851 60 H ALA 88 H ALA 88 -8.529 -4.750 6.900 61 HA ALA 88 HA ALA 88 -5.834 -5.258 7.200 62 HB1 ALA 88 1HB ALA 88 -5.774 -5.719 4.900 63 HB2 ALA 88 2HB ALA 88 -6.948 -4.463 4.516 64 HB3 ALA 88 3HB ALA 88 -7.472 -5.951 5.301 65 H PHE 89 H PHE 89 -7.394 -2.371 5.832 66 HA PHE 89 HA PHE 89 -5.086 -0.972 5.099 67 HB2 PHE 89 2HB PHE 89 -7.419 -0.303 4.523 68 HB3 PHE 89 1HB PHE 89 -7.635 0.220 6.194 69 HD1 PHE 89 2HD PHE 89 -6.149 2.043 7.123 70 HD2 PHE 89 1HD PHE 89 -6.239 1.051 2.948 71 HE1 PHE 89 2HE PHE 89 -5.110 4.226 6.581 72 HE2 PHE 89 1HE PHE 89 -5.206 3.233 2.405 73 HZ PHE 89 HZ PHE 89 -4.638 4.820 4.219 74 H LYS 90 H LYS 90 -6.830 -1.055 8.200 75 HA LYS 90 HA LYS 90 -5.223 0.817 9.541 76 HB2 LYS 90 2HB LYS 90 -6.811 -1.547 10.565 77 HB3 LYS 90 1HB LYS 90 -6.036 -0.372 11.623 78 HG2 LYS 90 2HG LYS 90 -7.870 0.575 9.422 79 HG3 LYS 90 1HG LYS 90 -8.550 -0.016 10.937 80 HD2 LYS 90 2HD LYS 90 -7.165 1.613 12.185 81 HD3 LYS 90 1HD LYS 90 -6.523 2.228 10.669 82 HE2 LYS 90 2HE LYS 90 -8.789 2.847 9.943 83 HE3 LYS 90 1HE LYS 90 -9.435 2.249 11.472 84 HZ1 LYS 90 3HZ LYS 90 -8.736 4.053 12.562 85 HZ2 LYS 90 1HZ LYS 90 -8.624 4.776 11.031 86 HZ3 LYS 90 2HZ LYS 90 -7.242 4.100 11.753 87 H VAL 91 H VAL 91 -4.740 -2.595 8.874 88 HA VAL 91 HA VAL 91 -2.572 -2.929 10.713 89 HB VAL 91 HB VAL 91 -3.354 -4.523 8.263 90 HG11 VAL 91 1HG1 VAL 91 -1.032 -4.960 8.698 91 HG12 VAL 91 2HG1 VAL 91 -1.935 -6.297 9.411 92 HG13 VAL 91 3HG1 VAL 91 -1.304 -5.012 10.440 93 HG21 VAL 91 3HG2 VAL 91 -3.738 -5.081 11.222 94 HG22 VAL 91 1HG2 VAL 91 -4.362 -6.037 9.877 95 HG23 VAL 91 2HG2 VAL 91 -4.991 -4.416 10.173 96 H PHE 92 H PHE 92 -2.717 -2.359 7.199 97 HA PHE 92 HA PHE 92 0.096 -2.257 6.813 98 HB2 PHE 92 2HB PHE 92 -1.876 -0.675 5.168 99 HB3 PHE 92 1HB PHE 92 -0.341 -1.380 4.659 100 HD1 PHE 92 1HD PHE 92 -0.594 -4.116 5.908 101 HD2 PHE 92 2HD PHE 92 -3.414 -1.734 3.721 102 HE1 PHE 92 1HE PHE 92 -1.763 -6.159 5.212 103 HE2 PHE 92 2HE PHE 92 -4.600 -3.788 3.029 104 HZ PHE 92 HZ PHE 92 -3.768 -6.008 3.765 105 H ASP 93 H ASP 93 -2.250 0.151 7.800 106 HA ASP 93 HA ASP 93 -0.501 2.380 7.487 107 HB2 ASP 93 2HB ASP 93 -3.098 2.313 7.765 108 HB3 ASP 93 1HB ASP 93 -2.754 2.303 9.491 109 H LYS 94 H LYS 94 1.336 1.011 8.546 110 HA LYS 94 HA LYS 94 1.496 0.414 11.232 111 HB2 LYS 94 2HB LYS 94 3.297 -0.019 9.561 112 HB3 LYS 94 1HB LYS 94 3.711 1.695 9.611 113 HG2 LYS 94 2HG LYS 94 4.213 1.533 12.004 114 HG3 LYS 94 1HG LYS 94 3.732 -0.163 12.009 115 HD2 LYS 94 2HD LYS 94 5.525 -0.671 10.378 116 HD3 LYS 94 1HD LYS 94 6.019 1.023 10.409 117 HE2 LYS 94 2HE LYS 94 6.512 0.856 12.809 118 HE3 LYS 94 1HE LYS 94 5.977 -0.824 12.813 119 HZ1 LYS 94 3HZ LYS 94 8.445 0.330 11.824 120 HZ2 LYS 94 1HZ LYS 94 7.754 -0.855 10.826 121 HZ3 LYS 94 2HZ LYS 94 8.138 -1.224 12.439 122 H ASP 95 H ASP 95 2.168 3.580 9.714 123 HA ASP 95 HA ASP 95 2.647 4.882 12.222 124 HB2 ASP 95 2HB ASP 95 1.835 6.310 9.698 125 HB3 ASP 95 1HB ASP 95 2.923 6.849 10.970 126 H GLN 96 H GLN 96 -0.132 3.730 10.788 127 HA GLN 96 HA GLN 96 -2.387 4.159 11.062 128 HB2 GLN 96 2HB GLN 96 -1.469 3.673 13.447 129 HB3 GLN 96 1HB GLN 96 -1.648 5.406 13.709 130 HG2 GLN 96 2HG GLN 96 -4.042 5.241 13.054 131 HG3 GLN 96 1HG GLN 96 -3.850 3.500 12.854 132 HE21 GLN 96 1HE2 GLN 96 -1.841 4.371 15.379 133 HE22 GLN 96 2HE2 GLN 96 -2.902 4.084 16.673 134 H ASN 97 H ASN 97 -0.904 6.228 9.687 135 HA ASN 97 HA ASN 97 -1.974 8.753 10.735 136 HB2 ASN 97 2HB ASN 97 -0.649 9.806 8.982 137 HB3 ASN 97 1HB ASN 97 0.345 8.681 9.908 138 HD21 ASN 97 1HD2 ASN 97 1.299 9.242 7.392 139 HD22 ASN 97 2HD2 ASN 97 1.016 7.942 6.338 140 H GLY 98 H GLY 98 -3.276 6.330 8.978 141 HA2 GLY 98 2HA GLY 98 -5.354 6.384 7.903 142 HA3 GLY 98 1HA GLY 98 -5.211 8.130 7.743 143 H TYR 99 H TYR 99 -2.307 7.246 6.733 144 HA TYR 99 HA TYR 99 -3.144 6.666 3.935 145 HB2 TYR 99 2HB TYR 99 -1.136 8.680 4.969 146 HB3 TYR 99 1HB TYR 99 -1.146 8.118 3.296 147 HD1 TYR 99 1HD TYR 99 -3.222 9.763 5.915 148 HD2 TYR 99 2HD TYR 99 -2.733 8.932 1.734 149 HE1 TYR 99 1HE TYR 99 -5.057 11.341 5.387 150 HE2 TYR 99 2HE TYR 99 -4.566 10.513 1.208 151 HH TYR 99 HH TYR 99 -6.687 11.726 3.556 152 H ILE 100 H ILE 100 -2.024 5.000 2.972 153 HA ILE 100 HA ILE 100 0.009 3.641 4.577 154 HB ILE 100 HB ILE 100 -0.912 2.917 1.789 155 HG12 ILE 100 2HG1 ILE 100 -2.040 1.949 4.449 156 HG13 ILE 100 1HG1 ILE 100 -2.840 3.082 3.367 157 HG21 ILE 100 1HG2 ILE 100 1.192 1.898 2.683 158 HG22 ILE 100 2HG2 ILE 100 -0.082 0.711 2.398 159 HG23 ILE 100 3HG2 ILE 100 0.263 1.258 4.039 160 HD11 ILE 100 3HD1 ILE 100 -1.999 0.275 2.594 161 HD12 ILE 100 1HD1 ILE 100 -2.889 1.413 1.584 162 HD13 ILE 100 2HD1 ILE 100 -3.637 0.744 3.034 163 H SER 101 H SER 101 2.144 3.875 4.311 164 HA SER 101 HA SER 101 3.117 5.642 2.158 165 HB2 SER 101 2HB SER 101 4.756 4.559 4.444 166 HB3 SER 101 1HB SER 101 5.041 6.004 3.479 167 HG SER 101 HG SER 101 3.052 5.523 5.433 168 H ALA 102 H ALA 102 4.952 5.054 0.860 169 HA ALA 102 HA ALA 102 4.867 2.547 -0.300 170 HB1 ALA 102 1HB ALA 102 6.107 4.625 -1.127 171 HB2 ALA 102 2HB ALA 102 6.905 3.075 -1.397 172 HB3 ALA 102 3HB ALA 102 7.430 4.120 -0.077 173 H SER 103 H SER 103 6.859 3.631 2.434 174 HA SER 103 HA SER 103 8.370 1.214 2.685 175 HB2 SER 103 2HB SER 103 8.863 2.055 4.972 176 HB3 SER 103 1HB SER 103 9.078 3.313 3.758 177 HG SER 103 HG SER 103 7.306 4.312 4.460 178 H GLU 104 H GLU 104 5.203 2.229 3.994 179 HA GLU 104 HA GLU 104 4.937 0.003 5.730 180 HB2 GLU 104 2HB GLU 104 2.936 1.906 4.515 181 HB3 GLU 104 1HB GLU 104 2.514 0.649 5.657 182 HG2 GLU 104 2HG GLU 104 4.210 1.622 7.243 183 HG3 GLU 104 1HG GLU 104 4.383 2.969 6.125 184 H LEU 105 H LEU 105 3.915 0.662 2.377 185 HA LEU 105 HA LEU 105 2.534 -1.805 2.008 186 HB2 LEU 105 2HB LEU 105 2.091 0.032 0.504 187 HB3 LEU 105 1HB LEU 105 3.787 0.109 0.032 188 HG LEU 105 HG LEU 105 3.651 -2.074 -1.040 189 HD11 LEU 105 1HD1 LEU 105 1.274 -3.113 -1.184 190 HD12 LEU 105 2HD1 LEU 105 0.922 -2.135 0.244 191 HD13 LEU 105 3HD1 LEU 105 2.200 -3.353 0.295 192 HD21 LEU 105 3HD2 LEU 105 2.771 0.045 -2.214 193 HD22 LEU 105 1HD2 LEU 105 1.154 -0.584 -1.890 194 HD23 LEU 105 2HD2 LEU 105 2.275 -1.503 -2.897 195 H ARG 106 H ARG 106 5.879 -0.758 1.441 196 HA ARG 106 HA ARG 106 6.784 -3.086 0.150 197 HB2 ARG 106 2HB ARG 106 8.262 -1.247 0.092 198 HB3 ARG 106 1HB ARG 106 8.162 -0.996 1.834 199 HG2 ARG 106 2HG ARG 106 9.449 -2.951 2.292 200 HG3 ARG 106 1HG ARG 106 9.307 -3.496 0.632 201 HD2 ARG 106 2HD ARG 106 10.682 -1.646 -0.131 202 HD3 ARG 106 1HD ARG 106 10.737 -0.993 1.505 203 HE ARG 106 HE ARG 106 12.326 -2.620 2.051 204 HH11 ARG 106 1HH2 ARG 106 10.793 -3.263 -0.970 205 HH12 ARG 106 2HH2 ARG 106 11.861 -4.557 -1.403 206 HH21 ARG 106 1HH1 ARG 106 13.741 -4.321 1.505 207 HH22 ARG 106 2HH1 ARG 106 13.533 -5.158 0.002 208 H HIS 107 H HIS 107 6.805 -2.237 3.626 209 HA HIS 107 HA HIS 107 7.953 -4.586 4.593 210 HB2 HIS 107 2HB HIS 107 7.482 -2.603 5.997 211 HB3 HIS 107 1HB HIS 107 5.758 -2.958 5.899 212 HD1 HIS 107 1HD HIS 107 5.291 -3.695 8.275 213 HD2 HIS 107 2HD HIS 107 8.553 -5.687 6.608 214 HE1 HIS 107 1HE HIS 107 5.926 -5.522 9.910 215 HE2 HIS 107 2HE HIS 107 7.912 -6.746 8.908 216 H VAL 108 H VAL 108 4.582 -3.872 3.763 217 HA VAL 108 HA VAL 108 3.538 -6.374 4.624 218 HB VAL 108 HB VAL 108 2.528 -4.411 2.550 219 HG11 VAL 108 1HG1 VAL 108 1.247 -6.857 3.800 220 HG12 VAL 108 2HG1 VAL 108 1.531 -6.564 2.083 221 HG13 VAL 108 3HG1 VAL 108 0.337 -5.608 2.953 222 HG21 VAL 108 3HG2 VAL 108 2.753 -3.729 5.019 223 HG22 VAL 108 1HG2 VAL 108 1.510 -4.934 5.350 224 HG23 VAL 108 2HG2 VAL 108 1.149 -3.561 4.302 225 H MET 109 H MET 109 4.782 -5.218 1.486 226 HA MET 109 HA MET 109 4.126 -7.499 -0.017 227 HB2 MET 109 2HB MET 109 6.289 -5.407 -0.267 228 HB3 MET 109 1HB MET 109 6.160 -6.731 -1.422 229 HG2 MET 109 2HG MET 109 3.872 -4.870 -0.746 230 HG3 MET 109 1HG MET 109 4.950 -4.637 -2.122 231 HE1 MET 109 3HE MET 109 2.015 -5.679 -4.083 232 HE2 MET 109 1HE MET 109 2.861 -4.380 -3.234 233 HE3 MET 109 2HE MET 109 1.522 -5.219 -2.455 234 H ILE 110 H ILE 110 7.049 -6.748 1.878 235 HA ILE 110 HA ILE 110 8.387 -9.175 1.233 236 HB ILE 110 HB ILE 110 8.716 -7.058 3.327 237 HG12 ILE 110 2HG1 ILE 110 10.958 -6.932 2.323 238 HG13 ILE 110 1HG1 ILE 110 10.596 -8.337 1.322 239 HG21 ILE 110 1HG2 ILE 110 9.115 -8.937 4.710 240 HG22 ILE 110 2HG2 ILE 110 10.719 -8.475 4.145 241 HG23 ILE 110 3HG2 ILE 110 9.884 -9.841 3.404 242 HD11 ILE 110 3HD1 ILE 110 9.023 -5.769 1.245 243 HD12 ILE 110 1HD1 ILE 110 8.847 -7.135 0.155 244 HD13 ILE 110 2HD1 ILE 110 10.308 -6.154 0.122 245 H ASN 111 H ASN 111 6.232 -8.223 3.875 246 HA ASN 111 HA ASN 111 6.452 -10.571 5.400 247 HB2 ASN 111 2HB ASN 111 5.359 -8.618 6.306 248 HB3 ASN 111 1HB ASN 111 4.118 -8.673 5.061 249 HD21 ASN 111 1HD2 ASN 111 5.164 -10.068 8.114 250 HD22 ASN 111 2HD2 ASN 111 3.820 -11.083 8.328 251 H LEU 112 H LEU 112 4.585 -9.805 2.528 252 HA LEU 112 HA LEU 112 3.077 -12.278 2.637 253 HB2 LEU 112 2HB LEU 112 3.186 -9.894 0.860 254 HB3 LEU 112 1HB LEU 112 2.670 -11.393 0.106 255 HG LEU 112 HG LEU 112 0.957 -11.665 1.911 256 HD11 LEU 112 1HD1 LEU 112 0.503 -9.854 3.436 257 HD12 LEU 112 2HD1 LEU 112 1.703 -8.831 2.656 258 HD13 LEU 112 3HD1 LEU 112 2.214 -10.238 3.580 259 HD21 LEU 112 3HD2 LEU 112 -0.548 -9.919 1.067 260 HD22 LEU 112 1HD2 LEU 112 0.402 -10.598 -0.256 261 HD23 LEU 112 2HD2 LEU 112 0.829 -9.026 0.421 262 H GLY 113 H GLY 113 6.208 -11.616 1.916 263 HA2 GLY 113 2HA GLY 113 7.819 -13.116 1.111 264 HA3 GLY 113 1HA GLY 113 6.521 -14.149 0.519 265 H GLU 114 H GLU 114 6.270 -10.828 -0.305 266 HA GLU 114 HA GLU 114 7.310 -11.363 -3.042 267 HB2 GLU 114 2HB GLU 114 4.912 -9.727 -2.173 268 HB3 GLU 114 1HB GLU 114 5.575 -9.725 -3.806 269 HG2 GLU 114 2HG GLU 114 5.165 -12.134 -4.003 270 HG3 GLU 114 1HG GLU 114 4.561 -12.181 -2.347 271 H LYS 115 H LYS 115 8.737 -9.875 -3.842 272 HA LYS 115 HA LYS 115 9.021 -7.273 -2.468 273 HB2 LYS 115 2HB LYS 115 11.569 -7.660 -2.672 274 HB3 LYS 115 1HB LYS 115 10.723 -8.496 -1.369 275 HG2 LYS 115 2HG LYS 115 10.565 -10.524 -2.778 276 HG3 LYS 115 1HG LYS 115 11.429 -9.691 -4.067 277 HD2 LYS 115 2HD LYS 115 13.366 -9.389 -2.561 278 HD3 LYS 115 1HD LYS 115 12.500 -10.265 -1.296 279 HE2 LYS 115 2HE LYS 115 12.385 -12.258 -2.719 280 HE3 LYS 115 1HE LYS 115 13.193 -11.391 -4.025 281 HZ1 LYS 115 3HZ LYS 115 15.129 -11.921 -3.133 282 HZ2 LYS 115 1HZ LYS 115 14.352 -12.753 -1.876 283 HZ3 LYS 115 2HZ LYS 115 14.720 -11.104 -1.701 284 H LEU 116 H LEU 116 8.885 -5.742 -3.988 285 HA LEU 116 HA LEU 116 9.741 -6.373 -6.757 286 HB2 LEU 116 2HB LEU 116 8.037 -4.048 -5.830 287 HB3 LEU 116 1HB LEU 116 8.280 -4.596 -7.478 288 HG LEU 116 HG LEU 116 6.134 -5.435 -6.785 289 HD11 LEU 116 1HD1 LEU 116 6.405 -7.748 -7.198 290 HD12 LEU 116 2HD1 LEU 116 7.953 -7.806 -6.364 291 HD13 LEU 116 3HD1 LEU 116 7.829 -7.024 -7.941 292 HD21 LEU 116 3HD2 LEU 116 7.121 -5.343 -4.208 293 HD22 LEU 116 1HD2 LEU 116 7.114 -7.078 -4.513 294 HD23 LEU 116 2HD2 LEU 116 5.633 -6.144 -4.676 295 H THR 117 H THR 117 10.922 -4.714 -7.938 296 HA THR 117 HA THR 117 13.098 -3.694 -6.433 297 HB THR 117 HB THR 117 13.588 -2.398 -8.568 298 HG1 THR 117 1HG THR 117 11.869 -3.810 -10.055 299 HG21 THR 117 3HG2 THR 117 13.927 -4.527 -9.911 300 HG22 THR 117 1HG2 THR 117 13.077 -5.380 -8.621 301 HG23 THR 117 2HG2 THR 117 14.598 -4.554 -8.281 302 H ASP 118 H ASP 118 13.697 -1.308 -6.351 303 HA ASP 118 HA ASP 118 11.678 0.128 -4.995 304 HB2 ASP 118 2HB ASP 118 14.169 0.444 -4.738 305 HB3 ASP 118 1HB ASP 118 14.146 1.320 -6.269 306 H GLU 119 H GLU 119 12.871 0.307 -8.334 307 HA GLU 119 HA GLU 119 11.419 2.597 -9.093 308 HB2 GLU 119 2HB GLU 119 12.394 0.238 -10.718 309 HB3 GLU 119 1HB GLU 119 11.685 1.689 -11.425 310 HG2 GLU 119 2HG GLU 119 13.427 3.075 -10.407 311 HG3 GLU 119 1HG GLU 119 14.110 1.660 -9.599 312 H GLU 120 H GLU 120 10.490 -0.800 -8.864 313 HA GLU 120 HA GLU 120 8.027 -0.492 -10.289 314 HB2 GLU 120 2HB GLU 120 9.061 -2.587 -8.374 315 HB3 GLU 120 1HB GLU 120 7.468 -2.686 -9.123 316 HG2 GLU 120 2HG GLU 120 10.032 -2.364 -10.698 317 HG3 GLU 120 1HG GLU 120 9.294 -3.932 -10.360 318 H VAL 121 H VAL 121 8.914 -0.511 -6.845 319 HA VAL 121 HA VAL 121 6.279 -0.195 -5.862 320 HB VAL 121 HB VAL 121 8.946 0.587 -4.655 321 HG11 VAL 121 1HG1 VAL 121 7.260 1.916 -3.560 322 HG12 VAL 121 2HG1 VAL 121 7.605 0.552 -2.497 323 HG13 VAL 121 3HG1 VAL 121 6.148 0.549 -3.490 324 HG21 VAL 121 3HG2 VAL 121 7.102 -1.730 -4.005 325 HG22 VAL 121 1HG2 VAL 121 8.757 -1.485 -3.446 326 HG23 VAL 121 2HG2 VAL 121 8.444 -1.859 -5.141 327 H GLU 122 H GLU 122 8.829 2.201 -6.589 328 HA GLU 122 HA GLU 122 7.418 4.482 -5.813 329 HB2 GLU 122 2HB GLU 122 9.503 4.087 -7.968 330 HB3 GLU 122 1HB GLU 122 8.890 5.662 -7.485 331 HG2 GLU 122 2HG GLU 122 9.668 5.340 -5.210 332 HG3 GLU 122 1HG GLU 122 10.143 3.684 -5.574 333 H GLN 123 H GLN 123 7.378 2.676 -8.852 334 HA GLN 123 HA GLN 123 5.729 4.541 -10.254 335 HB2 GLN 123 2HB GLN 123 6.383 1.627 -10.699 336 HB3 GLN 123 1HB GLN 123 5.282 2.516 -11.753 337 HG2 GLN 123 2HG GLN 123 7.005 4.102 -12.335 338 HG3 GLN 123 1HG GLN 123 8.098 3.444 -11.126 339 HE21 GLN 123 1HE2 GLN 123 8.391 3.593 -14.153 340 HE22 GLN 123 2HE2 GLN 123 8.688 1.992 -14.633 341 H MET 124 H MET 124 5.035 1.663 -8.273 342 HA MET 124 HA MET 124 2.300 1.495 -8.874 343 HB2 MET 124 2HB MET 124 3.970 0.629 -6.510 344 HB3 MET 124 1HB MET 124 2.247 0.339 -6.592 345 HG2 MET 124 2HG MET 124 2.459 -0.965 -8.598 346 HG3 MET 124 1HG MET 124 4.154 -0.505 -8.770 347 HE1 MET 124 3HE MET 124 2.213 -3.352 -5.786 348 HE2 MET 124 1HE MET 124 1.470 -2.109 -6.802 349 HE3 MET 124 2HE MET 124 2.278 -1.658 -5.303 350 H ILE 125 H ILE 125 4.044 3.247 -6.313 351 HA ILE 125 HA ILE 125 1.741 4.247 -5.008 352 HB ILE 125 HB ILE 125 4.485 5.516 -5.204 353 HG12 ILE 125 2HG1 ILE 125 4.348 3.055 -4.417 354 HG13 ILE 125 1HG1 ILE 125 5.182 4.186 -3.365 355 HG21 ILE 125 1HG2 ILE 125 3.013 7.101 -4.244 356 HG22 ILE 125 2HG2 ILE 125 3.785 6.327 -2.862 357 HG23 ILE 125 3HG2 ILE 125 2.146 5.869 -3.326 358 HD11 ILE 125 3HD1 ILE 125 2.269 3.456 -3.031 359 HD12 ILE 125 1HD1 ILE 125 3.286 4.321 -1.894 360 HD13 ILE 125 2HD1 ILE 125 3.558 2.610 -2.214 361 H LYS 126 H LYS 126 3.826 5.639 -7.484 362 HA LYS 126 HA LYS 126 2.401 8.060 -7.780 363 HB2 LYS 126 2HB LYS 126 4.190 6.556 -9.651 364 HB3 LYS 126 1HB LYS 126 3.533 8.142 -10.033 365 HG2 LYS 126 2HG LYS 126 4.534 8.974 -7.867 366 HG3 LYS 126 1HG LYS 126 5.328 7.411 -7.707 367 HD2 LYS 126 2HD LYS 126 5.657 9.311 -10.050 368 HD3 LYS 126 1HD LYS 126 6.829 9.081 -8.752 369 HE2 LYS 126 2HE LYS 126 7.668 7.626 -10.370 370 HE3 LYS 126 1HE LYS 126 6.644 6.532 -9.445 371 HZ1 LYS 126 3HZ LYS 126 5.053 7.811 -11.356 372 HZ2 LYS 126 1HZ LYS 126 5.461 6.167 -11.261 373 HZ3 LYS 126 2HZ LYS 126 6.441 7.234 -12.147 374 H GLU 127 H GLU 127 2.160 4.977 -9.504 375 HA GLU 127 HA GLU 127 0.142 5.829 -11.317 376 HB2 GLU 127 2HB GLU 127 1.000 3.098 -10.342 377 HB3 GLU 127 1HB GLU 127 -0.219 3.350 -11.590 378 HG2 GLU 127 2HG GLU 127 2.530 4.565 -11.762 379 HG3 GLU 127 1HG GLU 127 2.163 2.971 -12.414 380 H ALA 128 H ALA 128 0.090 4.308 -8.134 381 HA ALA 128 HA ALA 128 -2.768 3.893 -8.161 382 HB1 ALA 128 1HB ALA 128 -2.413 3.447 -5.696 383 HB2 ALA 128 2HB ALA 128 -0.696 3.751 -5.975 384 HB3 ALA 128 3HB ALA 128 -1.497 2.414 -6.798 385 H ASP 129 H ASP 129 -0.621 6.448 -7.141 386 HA ASP 129 HA ASP 129 -2.557 7.796 -5.515 387 HB2 ASP 129 2HB ASP 129 0.071 8.601 -6.734 388 HB3 ASP 129 1HB ASP 129 -0.895 9.733 -5.817 389 H LEU 130 H LEU 130 -4.300 8.714 -6.287 390 HA LEU 130 HA LEU 130 -4.535 9.504 -9.043 391 HB2 LEU 130 2HB LEU 130 -6.466 8.576 -7.833 392 HB3 LEU 130 1HB LEU 130 -6.440 9.950 -6.729 393 HG LEU 130 HG LEU 130 -6.849 11.484 -8.641 394 HD11 LEU 130 1HD1 LEU 130 -7.678 10.182 -10.787 395 HD12 LEU 130 2HD1 LEU 130 -6.622 8.909 -10.176 396 HD13 LEU 130 3HD1 LEU 130 -5.962 10.501 -10.559 397 HD21 LEU 130 3HD2 LEU 130 -8.860 9.222 -8.657 398 HD22 LEU 130 1HD2 LEU 130 -9.164 10.934 -8.958 399 HD23 LEU 130 2HD2 LEU 130 -8.730 10.386 -7.339 400 H ASP 131 H ASP 131 -3.846 11.121 -6.011 401 HA ASP 131 HA ASP 131 -4.037 13.754 -7.355 402 HB2 ASP 131 2HB ASP 131 -4.181 14.723 -5.179 403 HB3 ASP 131 1HB ASP 131 -5.313 13.372 -5.225 404 H GLY 132 H GLY 132 -1.740 11.609 -7.314 405 HA2 GLY 132 2HA GLY 132 0.563 11.596 -6.979 406 HA3 GLY 132 1HA GLY 132 0.413 13.169 -7.757 407 H ASP 133 H ASP 133 -0.400 11.926 -4.478 408 HA ASP 133 HA ASP 133 0.842 14.353 -3.345 409 HB2 ASP 133 2HB ASP 133 -0.264 13.626 -1.243 410 HB3 ASP 133 1HB ASP 133 -1.406 13.879 -2.564 411 H GLY 134 H GLY 134 1.456 11.037 -3.856 412 HA2 GLY 134 2HA GLY 134 3.600 10.068 -3.527 413 HA3 GLY 134 1HA GLY 134 3.889 11.211 -2.217 414 H GLN 135 H GLN 135 0.894 10.444 -1.554 415 HA GLN 135 HA GLN 135 1.599 8.064 0.059 416 HB2 GLN 135 2HB GLN 135 0.396 10.683 0.688 417 HB3 GLN 135 1HB GLN 135 -0.532 9.335 1.310 418 HG2 GLN 135 2HG GLN 135 1.330 8.478 2.523 419 HG3 GLN 135 1HG GLN 135 2.442 9.591 1.721 420 HE21 GLN 135 1HE2 GLN 135 3.076 11.114 3.267 421 HE22 GLN 135 2HE2 GLN 135 2.017 11.901 4.336 422 H VAL 136 H VAL 136 0.295 6.321 -0.068 423 HA VAL 136 HA VAL 136 -1.817 6.347 -2.062 424 HB VAL 136 HB VAL 136 -0.882 4.178 -0.153 425 HG11 VAL 136 1HG1 VAL 136 -2.118 2.663 -1.701 426 HG12 VAL 136 2HG1 VAL 136 -2.741 4.078 -2.550 427 HG13 VAL 136 3HG1 VAL 136 -3.190 3.786 -0.870 428 HG21 VAL 136 3HG2 VAL 136 0.101 3.258 -2.289 429 HG22 VAL 136 1HG2 VAL 136 0.861 4.744 -1.711 430 HG23 VAL 136 2HG2 VAL 136 -0.282 4.801 -3.054 431 H ASN 137 H ASN 137 -3.904 6.921 -1.599 432 HA ASN 137 HA ASN 137 -4.713 7.087 1.229 433 HB2 ASN 137 2HB ASN 137 -5.039 8.990 -0.478 434 HB3 ASN 137 1HB ASN 137 -6.324 7.998 -1.157 435 HD21 ASN 137 1HD2 ASN 137 -8.112 9.290 -0.461 436 HD22 ASN 137 2HD2 ASN 137 -8.487 9.536 1.175 437 H TYR 138 H TYR 138 -6.951 6.347 1.776 438 HA TYR 138 HA TYR 138 -7.313 3.655 1.441 439 HB2 TYR 138 2HB TYR 138 -8.588 5.213 2.990 440 HB3 TYR 138 1HB TYR 138 -9.634 5.580 1.617 441 HD1 TYR 138 1HD TYR 138 -8.458 2.884 3.876 442 HD2 TYR 138 2HD TYR 138 -11.236 3.991 0.796 443 HE1 TYR 138 1HE TYR 138 -9.747 0.817 4.299 444 HE2 TYR 138 2HE TYR 138 -12.530 1.920 1.219 445 HH TYR 138 HH TYR 138 -12.868 0.317 3.110 446 H GLU 139 H GLU 139 -8.966 6.179 -0.519 447 HA GLU 139 HA GLU 139 -10.333 4.420 -2.223 448 HB2 GLU 139 2HB GLU 139 -10.659 6.919 -2.023 449 HB3 GLU 139 1HB GLU 139 -9.225 7.114 -3.031 450 HG2 GLU 139 2HG GLU 139 -11.101 7.189 -4.515 451 HG3 GLU 139 1HG GLU 139 -10.368 5.600 -4.731 452 H GLU 140 H GLU 140 -7.070 5.798 -2.542 453 HA GLU 140 HA GLU 140 -6.597 4.688 -5.097 454 HB2 GLU 140 2HB GLU 140 -4.659 5.550 -2.967 455 HB3 GLU 140 1HB GLU 140 -4.209 5.135 -4.594 456 HG2 GLU 140 2HG GLU 140 -5.264 7.003 -5.524 457 HG3 GLU 140 1HG GLU 140 -6.360 7.176 -4.174 458 H PHE 141 H PHE 141 -5.947 3.528 -1.807 459 HA PHE 141 HA PHE 141 -4.527 1.202 -2.561 460 HB2 PHE 141 2HB PHE 141 -4.603 2.069 -0.239 461 HB3 PHE 141 1HB PHE 141 -6.305 1.633 -0.144 462 HD1 PHE 141 2HD PHE 141 -3.039 0.067 -1.158 463 HD2 PHE 141 1HD PHE 141 -6.809 -0.418 0.854 464 HE1 PHE 141 2HE PHE 141 -2.399 -2.240 -0.517 465 HE2 PHE 141 1HE PHE 141 -6.166 -2.725 1.490 466 HZ PHE 141 HZ PHE 141 -3.961 -3.635 0.804 467 H VAL 142 H VAL 142 -7.966 1.706 -1.789 468 HA VAL 142 HA VAL 142 -8.834 -0.903 -2.361 469 HB VAL 142 HB VAL 142 -10.265 1.756 -2.567 470 HG11 VAL 142 1HG1 VAL 142 -11.495 0.306 -3.993 471 HG12 VAL 142 2HG1 VAL 142 -12.343 0.271 -2.448 472 HG13 VAL 142 3HG1 VAL 142 -11.287 -1.067 -2.903 473 HG21 VAL 142 3HG2 VAL 142 -11.372 0.808 -0.471 474 HG22 VAL 142 1HG2 VAL 142 -9.685 1.281 -0.303 475 HG23 VAL 142 2HG2 VAL 142 -10.108 -0.421 -0.472 476 H LYS 143 H LYS 143 -8.575 1.972 -4.421 477 HA LYS 143 HA LYS 143 -9.603 0.840 -6.783 478 HB2 LYS 143 2HB LYS 143 -9.222 3.256 -6.375 479 HB3 LYS 143 1HB LYS 143 -7.490 2.985 -6.465 480 HG2 LYS 143 2HG LYS 143 -7.720 2.156 -8.771 481 HG3 LYS 143 1HG LYS 143 -9.466 2.384 -8.691 482 HD2 LYS 143 2HD LYS 143 -9.127 4.806 -8.313 483 HD3 LYS 143 1HD LYS 143 -7.383 4.570 -8.421 484 HE2 LYS 143 2HE LYS 143 -8.226 5.341 -10.579 485 HE3 LYS 143 1HE LYS 143 -7.678 3.671 -10.727 486 HZ1 LYS 143 3HZ LYS 143 -10.021 4.444 -11.606 487 HZ2 LYS 143 1HZ LYS 143 -10.472 4.125 -10.002 488 HZ3 LYS 143 2HZ LYS 143 -9.781 2.894 -10.950 489 H MET 144 H MET 144 -6.253 1.188 -5.635 490 HA MET 144 HA MET 144 -4.986 -0.148 -7.777 491 HB2 MET 144 2HB MET 144 -3.845 1.178 -5.966 492 HB3 MET 144 1HB MET 144 -4.103 -0.184 -4.897 493 HG2 MET 144 2HG MET 144 -2.770 -1.638 -6.347 494 HG3 MET 144 1HG MET 144 -2.561 -0.327 -7.508 495 HE1 MET 144 3HE MET 144 -0.769 -0.922 -3.382 496 HE2 MET 144 1HE MET 144 -2.254 -1.589 -4.073 497 HE3 MET 144 2HE MET 144 -2.257 0.021 -3.361 498 H MET 145 H MET 145 -6.392 -1.260 -4.775 499 HA MET 145 HA MET 145 -5.543 -3.965 -5.019 500 HB2 MET 145 2HB MET 145 -6.303 -3.011 -2.871 501 HB3 MET 145 1HB MET 145 -7.938 -2.877 -3.518 502 HG2 MET 145 2HG MET 145 -8.060 -5.301 -3.817 503 HG3 MET 145 1HG MET 145 -6.386 -5.478 -3.288 504 HE1 MET 145 3HE MET 145 -6.333 -5.213 0.392 505 HE2 MET 145 1HE MET 145 -5.613 -4.288 -0.932 506 HE3 MET 145 2HE MET 145 -5.737 -6.039 -1.046 507 H MET 146 H MET 146 -8.412 -2.204 -6.092 508 HA MET 146 HA MET 146 -9.904 -4.438 -6.962 509 HB2 MET 146 2HB MET 146 -9.887 -1.517 -7.708 510 HB3 MET 146 1HB MET 146 -10.931 -2.657 -8.554 511 HG2 MET 146 2HG MET 146 -10.888 -2.361 -5.541 512 HG3 MET 146 1HG MET 146 -12.020 -1.505 -6.578 513 HE1 MET 146 3HE MET 146 -13.433 -2.380 -8.143 514 HE2 MET 146 1HE MET 146 -14.393 -3.848 -7.950 515 HE3 MET 146 2HE MET 146 -12.895 -3.887 -8.872 516 H THR 147 H THR 147 -7.446 -2.432 -8.539 517 HA THR 147 HA THR 147 -7.674 -3.446 -11.140 518 HB THR 147 HB THR 147 -5.152 -2.551 -9.714 519 HG1 THR 147 1HG THR 147 -6.849 -1.025 -11.374 520 HG21 THR 147 3HG2 THR 147 -5.888 -2.701 -12.652 521 HG22 THR 147 1HG2 THR 147 -4.687 -3.695 -11.827 522 HG23 THR 147 2HG2 THR 147 -4.418 -1.963 -12.015 523 H VAL 148 H VAL 148 -4.995 -4.300 -8.956 524 HA VAL 148 HA VAL 148 -4.377 -6.698 -10.303 525 HB VAL 148 HB VAL 148 -2.896 -7.163 -8.440 526 HG11 VAL 148 1HG1 VAL 148 -2.201 -5.360 -9.960 527 HG12 VAL 148 2HG1 VAL 148 -1.689 -4.992 -8.313 528 HG13 VAL 148 3HG1 VAL 148 -3.098 -4.184 -8.997 529 HG21 VAL 148 3HG2 VAL 148 -4.318 -6.770 -6.550 530 HG22 VAL 148 1HG2 VAL 148 -4.596 -5.095 -7.024 531 HG23 VAL 148 2HG2 VAL 148 -3.011 -5.592 -6.431 532 H ARG 149 H ARG 149 -6.663 -5.949 -7.792 533 HA ARG 149 HA ARG 149 -7.783 -8.642 -8.028 534 HB2 ARG 149 2HB ARG 149 -6.095 -8.811 -6.196 535 HB3 ARG 149 1HB ARG 149 -6.965 -7.548 -5.324 536 HG2 ARG 149 2HG ARG 149 -9.001 -8.956 -5.320 537 HG3 ARG 149 1HG ARG 149 -8.120 -10.222 -6.176 538 HD2 ARG 149 2HD ARG 149 -8.135 -10.744 -3.804 539 HD3 ARG 149 1HD ARG 149 -6.496 -10.310 -4.283 540 HE ARG 149 HE ARG 149 -7.845 -7.993 -3.374 541 HH11 ARG 149 1HH2 ARG 149 -6.557 -11.007 -2.297 542 HH12 ARG 149 2HH2 ARG 149 -6.191 -10.445 -0.700 543 HH21 ARG 149 1HH1 ARG 149 -7.370 -7.234 -1.280 544 HH22 ARG 149 2HH1 ARG 149 -6.652 -8.305 -0.122 Start of MODEL 6 1 H1 ASP 80 1HT ASP 80 -19.546 -8.373 4.931 2 H2 ASP 80 2HT ASP 80 -18.656 -7.328 3.929 3 H3 ASP 80 3HT ASP 80 -19.056 -6.857 5.511 4 HA ASP 80 HA ASP 80 -17.412 -8.029 6.453 5 HB2 ASP 80 2HB ASP 80 -17.911 -10.010 4.227 6 HB3 ASP 80 1HB ASP 80 -16.591 -10.189 5.381 7 H ALA 81 H ALA 81 -17.273 -7.930 2.891 8 HA ALA 81 HA ALA 81 -14.499 -7.728 2.625 9 HB1 ALA 81 1HB ALA 81 -15.988 -8.053 0.702 10 HB2 ALA 81 2HB ALA 81 -14.946 -6.652 0.452 11 HB3 ALA 81 3HB ALA 81 -16.634 -6.426 0.914 12 H GLU 82 H GLU 82 -16.926 -5.135 2.988 13 HA GLU 82 HA GLU 82 -15.045 -3.031 2.950 14 HB2 GLU 82 2HB GLU 82 -17.687 -3.030 2.747 15 HB3 GLU 82 1HB GLU 82 -17.616 -2.779 4.493 16 HG2 GLU 82 2HG GLU 82 -16.261 -1.090 2.381 17 HG3 GLU 82 1HG GLU 82 -17.653 -0.615 3.353 18 H GLU 83 H GLU 83 -16.402 -4.982 5.552 19 HA GLU 83 HA GLU 83 -15.297 -3.475 7.697 20 HB2 GLU 83 2HB GLU 83 -16.090 -6.392 7.518 21 HB3 GLU 83 1HB GLU 83 -15.579 -5.602 9.011 22 HG2 GLU 83 2HG GLU 83 -17.410 -3.995 8.834 23 HG3 GLU 83 1HG GLU 83 -17.895 -4.684 7.285 24 H GLU 84 H GLU 84 -14.253 -6.730 6.676 25 HA GLU 84 HA GLU 84 -11.783 -6.781 7.826 26 HB2 GLU 84 2HB GLU 84 -12.552 -7.851 5.097 27 HB3 GLU 84 1HB GLU 84 -11.070 -8.282 5.951 28 HG2 GLU 84 2HG GLU 84 -13.862 -8.673 7.066 29 HG3 GLU 84 1HG GLU 84 -12.913 -9.942 6.293 30 H LEU 85 H LEU 85 -12.652 -5.108 4.807 31 HA LEU 85 HA LEU 85 -10.046 -4.468 4.007 32 HB2 LEU 85 2HB LEU 85 -11.915 -4.147 2.496 33 HB3 LEU 85 1HB LEU 85 -12.649 -2.968 3.581 34 HG LEU 85 HG LEU 85 -10.716 -1.461 3.259 35 HD11 LEU 85 1HD1 LEU 85 -9.159 -2.189 1.267 36 HD12 LEU 85 2HD1 LEU 85 -9.680 -3.819 1.697 37 HD13 LEU 85 3HD1 LEU 85 -8.850 -2.816 2.886 38 HD21 LEU 85 3HD2 LEU 85 -11.340 -0.669 1.182 39 HD22 LEU 85 1HD2 LEU 85 -12.739 -1.658 1.589 40 HD23 LEU 85 2HD2 LEU 85 -11.510 -2.274 0.480 41 H LYS 86 H LYS 86 -12.315 -2.746 6.144 42 HA LYS 86 HA LYS 86 -10.685 -0.487 6.566 43 HB2 LYS 86 2HB LYS 86 -12.844 -1.769 8.242 44 HB3 LYS 86 1HB LYS 86 -12.039 -0.274 8.717 45 HG2 LYS 86 2HG LYS 86 -13.216 -0.501 5.949 46 HG3 LYS 86 1HG LYS 86 -14.277 -0.165 7.313 47 HD2 LYS 86 2HD LYS 86 -12.872 1.785 7.918 48 HD3 LYS 86 1HD LYS 86 -11.839 1.469 6.528 49 HE2 LYS 86 2HE LYS 86 -13.751 1.775 5.020 50 HE3 LYS 86 1HE LYS 86 -14.800 2.078 6.406 51 HZ1 LYS 86 3HZ LYS 86 -12.361 3.670 6.176 52 HZ2 LYS 86 1HZ LYS 86 -13.886 4.105 6.777 53 HZ3 LYS 86 2HZ LYS 86 -13.627 4.023 5.100 54 H GLU 87 H GLU 87 -10.854 -3.609 8.189 55 HA GLU 87 HA GLU 87 -9.002 -2.912 10.261 56 HB2 GLU 87 2HB GLU 87 -10.656 -4.832 10.321 57 HB3 GLU 87 1HB GLU 87 -9.582 -5.690 9.217 58 HG2 GLU 87 2HG GLU 87 -8.968 -6.392 11.426 59 HG3 GLU 87 1HG GLU 87 -7.714 -5.272 10.897 60 H ALA 88 H ALA 88 -8.683 -4.732 7.207 61 HA ALA 88 HA ALA 88 -5.951 -5.307 7.404 62 HB1 ALA 88 1HB ALA 88 -7.266 -4.580 4.791 63 HB2 ALA 88 2HB ALA 88 -7.654 -6.081 5.632 64 HB3 ALA 88 3HB ALA 88 -6.004 -5.774 5.097 65 H PHE 89 H PHE 89 -7.545 -2.470 5.947 66 HA PHE 89 HA PHE 89 -5.246 -1.135 5.099 67 HB2 PHE 89 2HB PHE 89 -7.485 -0.403 4.461 68 HB3 PHE 89 1HB PHE 89 -7.833 0.031 6.136 69 HD1 PHE 89 2HD PHE 89 -6.684 1.940 7.211 70 HD2 PHE 89 1HD PHE 89 -6.048 0.978 3.075 71 HE1 PHE 89 2HE PHE 89 -5.685 4.181 6.839 72 HE2 PHE 89 1HE PHE 89 -5.070 3.219 2.701 73 HZ PHE 89 HZ PHE 89 -4.878 4.820 4.584 74 H LYS 90 H LYS 90 -6.919 -0.990 8.236 75 HA LYS 90 HA LYS 90 -5.265 0.963 9.379 76 HB2 LYS 90 2HB LYS 90 -6.468 0.575 11.302 77 HB3 LYS 90 1HB LYS 90 -7.515 -0.273 10.173 78 HG2 LYS 90 2HG LYS 90 -7.297 -2.007 11.693 79 HG3 LYS 90 1HG LYS 90 -5.799 -2.310 10.840 80 HD2 LYS 90 2HD LYS 90 -4.580 -0.880 12.429 81 HD3 LYS 90 1HD LYS 90 -6.089 -0.628 13.317 82 HE2 LYS 90 2HE LYS 90 -6.276 -3.036 13.709 83 HE3 LYS 90 1HE LYS 90 -4.784 -3.308 12.806 84 HZ1 LYS 90 3HZ LYS 90 -3.561 -2.714 14.541 85 HZ2 LYS 90 1HZ LYS 90 -4.972 -2.815 15.476 86 HZ3 LYS 90 2HZ LYS 90 -4.487 -1.319 14.833 87 H VAL 91 H VAL 91 -4.758 -2.458 8.872 88 HA VAL 91 HA VAL 91 -2.636 -2.742 10.762 89 HB VAL 91 HB VAL 91 -3.505 -4.431 8.410 90 HG11 VAL 91 1HG1 VAL 91 -1.199 -4.771 10.328 91 HG12 VAL 91 2HG1 VAL 91 -1.171 -4.844 8.567 92 HG13 VAL 91 3HG1 VAL 91 -1.931 -6.140 9.490 93 HG21 VAL 91 3HG2 VAL 91 -3.621 -4.807 11.420 94 HG22 VAL 91 1HG2 VAL 91 -4.179 -5.979 10.227 95 HG23 VAL 91 2HG2 VAL 91 -4.989 -4.423 10.377 96 H PHE 92 H PHE 92 -2.776 -2.237 7.257 97 HA PHE 92 HA PHE 92 0.035 -2.162 6.847 98 HB2 PHE 92 2HB PHE 92 -1.922 -0.565 5.199 99 HB3 PHE 92 1HB PHE 92 -0.413 -1.314 4.687 100 HD1 PHE 92 2HD PHE 92 -0.770 -4.033 6.029 101 HD2 PHE 92 1HD PHE 92 -3.460 -1.600 3.720 102 HE1 PHE 92 2HE PHE 92 -2.023 -6.041 5.384 103 HE2 PHE 92 1HE PHE 92 -4.723 -3.635 3.075 104 HZ PHE 92 HZ PHE 92 -3.997 -5.857 3.907 105 H ASP 93 H ASP 93 -2.253 0.221 7.939 106 HA ASP 93 HA ASP 93 -0.518 2.457 7.556 107 HB2 ASP 93 2HB ASP 93 -3.099 2.404 7.879 108 HB3 ASP 93 1HB ASP 93 -2.729 2.374 9.601 109 H LYS 94 H LYS 94 1.345 1.114 8.558 110 HA LYS 94 HA LYS 94 1.550 0.548 11.262 111 HB2 LYS 94 2HB LYS 94 3.280 0.188 9.345 112 HB3 LYS 94 1HB LYS 94 3.871 1.788 9.783 113 HG2 LYS 94 2HG LYS 94 4.257 1.055 12.084 114 HG3 LYS 94 1HG LYS 94 3.576 -0.529 11.716 115 HD2 LYS 94 2HD LYS 94 5.358 -0.909 10.048 116 HD3 LYS 94 1HD LYS 94 6.048 0.669 10.432 117 HE2 LYS 94 2HE LYS 94 6.406 -0.045 12.762 118 HE3 LYS 94 1HE LYS 94 5.707 -1.620 12.391 119 HZ1 LYS 94 3HZ LYS 94 7.966 -1.973 12.171 120 HZ2 LYS 94 1HZ LYS 94 8.251 -0.460 11.461 121 HZ3 LYS 94 2HZ LYS 94 7.487 -1.686 10.566 122 H ASP 95 H ASP 95 2.273 3.642 9.630 123 HA ASP 95 HA ASP 95 2.892 5.014 12.062 124 HB2 ASP 95 2HB ASP 95 1.972 6.376 9.536 125 HB3 ASP 95 1HB ASP 95 3.129 6.938 10.736 126 H GLN 96 H GLN 96 0.026 3.868 10.823 127 HA GLN 96 HA GLN 96 -2.205 4.337 11.193 128 HB2 GLN 96 2HB GLN 96 -1.219 3.917 13.542 129 HB3 GLN 96 1HB GLN 96 -1.283 5.667 13.742 130 HG2 GLN 96 2HG GLN 96 -3.713 5.631 13.258 131 HG3 GLN 96 1HG GLN 96 -3.642 3.885 13.058 132 HE21 GLN 96 1HE2 GLN 96 -5.025 3.451 14.892 133 HE22 GLN 96 2HE2 GLN 96 -4.513 3.741 16.484 134 H ASN 97 H ASN 97 -0.659 6.354 9.716 135 HA ASN 97 HA ASN 97 -1.709 8.920 10.662 136 HB2 ASN 97 2HB ASN 97 -0.433 9.878 8.811 137 HB3 ASN 97 1HB ASN 97 0.582 8.803 9.771 138 HD21 ASN 97 1HD2 ASN 97 1.352 9.311 7.123 139 HD22 ASN 97 2HD2 ASN 97 1.092 7.924 6.179 140 H GLY 98 H GLY 98 -3.083 6.432 9.070 141 HA2 GLY 98 2HA GLY 98 -5.147 6.392 8.001 142 HA3 GLY 98 1HA GLY 98 -5.079 8.144 7.848 143 H TYR 99 H TYR 99 -2.162 7.074 6.791 144 HA TYR 99 HA TYR 99 -3.052 6.635 3.993 145 HB2 TYR 99 2HB TYR 99 -1.029 8.622 5.038 146 HB3 TYR 99 1HB TYR 99 -1.003 8.058 3.367 147 HD1 TYR 99 1HD TYR 99 -3.176 9.667 5.939 148 HD2 TYR 99 2HD TYR 99 -2.495 8.924 1.770 149 HE1 TYR 99 1HE TYR 99 -4.987 11.255 5.364 150 HE2 TYR 99 2HE TYR 99 -4.308 10.513 1.190 151 HH TYR 99 HH TYR 99 -6.594 11.545 3.290 152 H ILE 100 H ILE 100 -1.877 5.082 2.891 153 HA ILE 100 HA ILE 100 0.147 3.630 4.454 154 HB ILE 100 HB ILE 100 -0.834 2.900 1.690 155 HG12 ILE 100 2HG1 ILE 100 -2.054 2.127 4.374 156 HG13 ILE 100 1HG1 ILE 100 -2.803 3.158 3.160 157 HG21 ILE 100 1HG2 ILE 100 1.207 1.811 2.665 158 HG22 ILE 100 2HG2 ILE 100 -0.107 0.677 2.353 159 HG23 ILE 100 3HG2 ILE 100 0.211 1.229 3.998 160 HD11 ILE 100 3HD1 ILE 100 -3.697 0.927 2.889 161 HD12 ILE 100 1HD1 ILE 100 -2.075 0.235 2.864 162 HD13 ILE 100 2HD1 ILE 100 -2.621 1.251 1.530 163 H SER 101 H SER 101 2.256 3.900 4.153 164 HA SER 101 HA SER 101 3.164 5.585 1.893 165 HB2 SER 101 2HB SER 101 5.300 5.689 3.230 166 HB3 SER 101 1HB SER 101 3.895 6.391 4.027 167 HG SER 101 HG SER 101 3.713 4.570 5.276 168 H ALA 102 H ALA 102 5.152 4.995 0.763 169 HA ALA 102 HA ALA 102 5.089 2.433 -0.326 170 HB1 ALA 102 1HB ALA 102 7.510 4.243 -0.132 171 HB2 ALA 102 2HB ALA 102 6.267 4.338 -1.379 172 HB3 ALA 102 3HB ALA 102 7.292 2.908 -1.266 173 H SER 103 H SER 103 7.047 3.692 2.370 174 HA SER 103 HA SER 103 8.622 1.414 2.806 175 HB2 SER 103 2HB SER 103 8.882 2.275 5.109 176 HB3 SER 103 1HB SER 103 9.097 3.537 3.899 177 HG SER 103 HG SER 103 7.725 4.275 5.512 178 H GLU 104 H GLU 104 5.371 2.216 4.014 179 HA GLU 104 HA GLU 104 5.157 -0.134 5.604 180 HB2 GLU 104 2HB GLU 104 3.128 1.836 4.563 181 HB3 GLU 104 1HB GLU 104 2.722 0.493 5.601 182 HG2 GLU 104 2HG GLU 104 4.379 1.319 7.266 183 HG3 GLU 104 1HG GLU 104 4.638 2.726 6.246 184 H LEU 105 H LEU 105 4.148 0.754 2.314 185 HA LEU 105 HA LEU 105 2.613 -1.551 1.771 186 HB2 LEU 105 2HB LEU 105 2.474 0.409 0.338 187 HB3 LEU 105 1HB LEU 105 4.169 0.243 -0.106 188 HG LEU 105 HG LEU 105 3.718 -1.880 -1.231 189 HD11 LEU 105 1HD1 LEU 105 2.034 -2.946 0.007 190 HD12 LEU 105 2HD1 LEU 105 1.181 -2.483 -1.462 191 HD13 LEU 105 3HD1 LEU 105 0.989 -1.525 0.008 192 HD21 LEU 105 3HD2 LEU 105 3.405 -0.048 -2.701 193 HD22 LEU 105 1HD2 LEU 105 1.890 0.420 -1.927 194 HD23 LEU 105 2HD2 LEU 105 1.961 -1.035 -2.918 195 H ARG 106 H ARG 106 6.039 -0.859 1.241 196 HA ARG 106 HA ARG 106 6.626 -3.328 -0.039 197 HB2 ARG 106 2HB ARG 106 8.973 -2.792 0.335 198 HB3 ARG 106 1HB ARG 106 8.103 -1.349 -0.187 199 HG2 ARG 106 2HG ARG 106 7.860 -0.676 2.148 200 HG3 ARG 106 1HG ARG 106 8.815 -2.053 2.666 201 HD2 ARG 106 2HD ARG 106 10.303 -0.202 2.578 202 HD3 ARG 106 1HD ARG 106 10.649 -1.189 1.160 203 HE ARG 106 HE ARG 106 8.726 0.762 0.472 204 HH11 ARG 106 1HH2 ARG 106 12.029 0.386 1.391 205 HH12 ARG 106 2HH2 ARG 106 12.578 1.789 0.538 206 HH21 ARG 106 1HH1 ARG 106 9.424 2.614 -0.653 207 HH22 ARG 106 2HH1 ARG 106 11.099 3.054 -0.621 208 H HIS 107 H HIS 107 6.830 -2.280 3.365 209 HA HIS 107 HA HIS 107 7.968 -4.605 4.407 210 HB2 HIS 107 2HB HIS 107 5.918 -2.772 5.675 211 HB3 HIS 107 1HB HIS 107 6.931 -3.927 6.534 212 HD1 HIS 107 1HD HIS 107 7.021 -0.760 6.877 213 HD2 HIS 107 2HD HIS 107 9.694 -3.055 4.645 214 HE1 HIS 107 1HE HIS 107 9.174 0.593 6.700 215 HE2 HIS 107 2HE HIS 107 10.800 -0.795 5.328 216 H VAL 108 H VAL 108 4.563 -3.782 3.830 217 HA VAL 108 HA VAL 108 3.510 -6.211 4.847 218 HB VAL 108 HB VAL 108 2.344 -4.293 2.816 219 HG11 VAL 108 1HG1 VAL 108 1.162 -6.596 4.388 220 HG12 VAL 108 2HG1 VAL 108 1.175 -6.385 2.638 221 HG13 VAL 108 3HG1 VAL 108 0.175 -5.338 3.647 222 HG21 VAL 108 3HG2 VAL 108 2.969 -3.509 5.236 223 HG22 VAL 108 1HG2 VAL 108 1.617 -4.527 5.741 224 HG23 VAL 108 2HG2 VAL 108 1.342 -3.179 4.640 225 H MET 109 H MET 109 4.462 -5.168 1.573 226 HA MET 109 HA MET 109 3.597 -7.502 0.237 227 HB2 MET 109 2HB MET 109 5.691 -5.423 -0.373 228 HB3 MET 109 1HB MET 109 5.406 -6.788 -1.453 229 HG2 MET 109 2HG MET 109 3.216 -4.918 -0.518 230 HG3 MET 109 1HG MET 109 4.109 -4.692 -2.022 231 HE1 MET 109 3HE MET 109 1.829 -6.302 -4.345 232 HE2 MET 109 1HE MET 109 3.493 -5.723 -4.184 233 HE3 MET 109 2HE MET 109 2.160 -4.766 -3.547 234 H ILE 110 H ILE 110 6.724 -6.663 1.740 235 HA ILE 110 HA ILE 110 8.075 -9.024 0.961 236 HB ILE 110 HB ILE 110 8.494 -7.168 3.315 237 HG12 ILE 110 2HG1 ILE 110 10.111 -7.510 0.777 238 HG13 ILE 110 1HG1 ILE 110 8.808 -6.330 0.926 239 HG21 ILE 110 1HG2 ILE 110 10.811 -8.262 3.300 240 HG22 ILE 110 2HG2 ILE 110 10.087 -9.541 2.325 241 HG23 ILE 110 3HG2 ILE 110 9.497 -9.237 3.958 242 HD11 ILE 110 3HD1 ILE 110 11.151 -5.456 1.436 243 HD12 ILE 110 1HD1 ILE 110 11.112 -6.466 2.880 244 HD13 ILE 110 2HD1 ILE 110 9.937 -5.165 2.683 245 H ASN 111 H ASN 111 6.221 -8.194 3.868 246 HA ASN 111 HA ASN 111 6.606 -10.625 5.240 247 HB2 ASN 111 2HB ASN 111 5.687 -8.704 6.388 248 HB3 ASN 111 1HB ASN 111 4.280 -8.688 5.334 249 HD21 ASN 111 1HD2 ASN 111 2.768 -9.092 7.097 250 HD22 ASN 111 2HD2 ASN 111 2.712 -10.590 7.895 251 H LEU 112 H LEU 112 4.519 -9.723 2.602 252 HA LEU 112 HA LEU 112 2.890 -12.100 2.841 253 HB2 LEU 112 2HB LEU 112 2.579 -9.618 1.596 254 HB3 LEU 112 1HB LEU 112 2.730 -10.725 0.240 255 HG LEU 112 HG LEU 112 0.374 -10.487 0.901 256 HD11 LEU 112 1HD1 LEU 112 -0.176 -12.785 0.877 257 HD12 LEU 112 2HD1 LEU 112 1.238 -13.236 1.821 258 HD13 LEU 112 3HD1 LEU 112 1.424 -12.736 0.141 259 HD21 LEU 112 3HD2 LEU 112 1.343 -10.315 3.508 260 HD22 LEU 112 1HD2 LEU 112 0.622 -11.926 3.478 261 HD23 LEU 112 2HD2 LEU 112 -0.348 -10.516 3.064 262 H GLY 113 H GLY 113 5.946 -11.615 1.847 263 HA2 GLY 113 2HA GLY 113 7.368 -13.244 0.906 264 HA3 GLY 113 1HA GLY 113 5.954 -14.109 0.313 265 H GLU 114 H GLU 114 5.845 -10.773 -0.313 266 HA GLU 114 HA GLU 114 6.737 -11.187 -3.120 267 HB2 GLU 114 2HB GLU 114 4.559 -9.418 -1.982 268 HB3 GLU 114 1HB GLU 114 5.144 -9.305 -3.642 269 HG2 GLU 114 2HG GLU 114 4.487 -11.615 -4.070 270 HG3 GLU 114 1HG GLU 114 3.997 -11.818 -2.388 271 H LYS 115 H LYS 115 8.417 -9.974 -3.762 272 HA LYS 115 HA LYS 115 8.979 -7.418 -2.379 273 HB2 LYS 115 2HB LYS 115 11.457 -8.093 -2.572 274 HB3 LYS 115 1HB LYS 115 10.512 -8.859 -1.296 275 HG2 LYS 115 2HG LYS 115 10.151 -10.829 -2.737 276 HG3 LYS 115 1HG LYS 115 11.089 -10.072 -4.019 277 HD2 LYS 115 2HD LYS 115 13.031 -9.952 -2.427 278 HD3 LYS 115 1HD LYS 115 12.078 -10.910 -1.291 279 HE2 LYS 115 2HE LYS 115 12.701 -11.776 -4.127 280 HE3 LYS 115 1HE LYS 115 13.619 -12.294 -2.714 281 HZ1 LYS 115 3HZ LYS 115 12.123 -13.954 -2.729 282 HZ2 LYS 115 1HZ LYS 115 10.961 -13.066 -3.585 283 HZ3 LYS 115 2HZ LYS 115 11.145 -12.829 -1.914 284 H LEU 116 H LEU 116 8.887 -5.898 -3.906 285 HA LEU 116 HA LEU 116 9.837 -6.537 -6.649 286 HB2 LEU 116 2HB LEU 116 8.052 -4.252 -5.771 287 HB3 LEU 116 1HB LEU 116 8.416 -4.753 -7.421 288 HG LEU 116 HG LEU 116 6.974 -6.462 -5.371 289 HD11 LEU 116 1HD1 LEU 116 5.502 -4.680 -6.029 290 HD12 LEU 116 2HD1 LEU 116 5.029 -6.098 -6.965 291 HD13 LEU 116 3HD1 LEU 116 5.988 -4.826 -7.720 292 HD21 LEU 116 3HD2 LEU 116 7.841 -6.892 -8.234 293 HD22 LEU 116 1HD2 LEU 116 6.437 -7.746 -7.587 294 HD23 LEU 116 2HD2 LEU 116 8.021 -7.970 -6.849 295 H THR 117 H THR 117 10.917 -4.702 -7.786 296 HA THR 117 HA THR 117 13.039 -3.670 -6.161 297 HB THR 117 HB THR 117 13.826 -2.601 -8.212 298 HG1 THR 117 1HG THR 117 11.183 -3.113 -8.964 299 HG21 THR 117 3HG2 THR 117 12.691 -5.384 -8.573 300 HG22 THR 117 1HG2 THR 117 14.319 -4.952 -8.050 301 HG23 THR 117 2HG2 THR 117 13.813 -4.639 -9.711 302 H ASP 118 H ASP 118 13.578 -1.241 -6.218 303 HA ASP 118 HA ASP 118 11.459 0.171 -4.976 304 HB2 ASP 118 2HB ASP 118 12.978 2.132 -5.113 305 HB3 ASP 118 1HB ASP 118 13.766 0.702 -4.452 306 H GLU 119 H GLU 119 12.831 0.338 -8.250 307 HA GLU 119 HA GLU 119 11.360 2.534 -9.172 308 HB2 GLU 119 2HB GLU 119 12.413 0.111 -10.645 309 HB3 GLU 119 1HB GLU 119 11.704 1.513 -11.450 310 HG2 GLU 119 2HG GLU 119 13.387 2.979 -10.463 311 HG3 GLU 119 1HG GLU 119 14.070 1.633 -9.554 312 H GLU 120 H GLU 120 10.451 -0.845 -8.801 313 HA GLU 120 HA GLU 120 7.998 -0.582 -10.291 314 HB2 GLU 120 2HB GLU 120 8.980 -2.673 -8.341 315 HB3 GLU 120 1HB GLU 120 7.451 -2.786 -9.211 316 HG2 GLU 120 2HG GLU 120 10.142 -2.446 -10.561 317 HG3 GLU 120 1HG GLU 120 9.349 -4.002 -10.337 318 H VAL 121 H VAL 121 8.850 -0.647 -6.839 319 HA VAL 121 HA VAL 121 6.192 -0.287 -5.907 320 HB VAL 121 HB VAL 121 8.855 0.313 -4.598 321 HG11 VAL 121 1HG1 VAL 121 6.012 0.493 -3.582 322 HG12 VAL 121 2HG1 VAL 121 7.314 1.672 -3.420 323 HG13 VAL 121 3HG1 VAL 121 7.356 0.179 -2.482 324 HG21 VAL 121 3HG2 VAL 121 8.273 -1.774 -3.330 325 HG22 VAL 121 1HG2 VAL 121 8.500 -2.057 -5.056 326 HG23 VAL 121 2HG2 VAL 121 6.872 -1.975 -4.383 327 H GLU 122 H GLU 122 8.841 1.989 -6.588 328 HA GLU 122 HA GLU 122 7.483 4.315 -5.728 329 HB2 GLU 122 2HB GLU 122 9.918 4.236 -6.130 330 HB3 GLU 122 1HB GLU 122 9.621 4.056 -7.858 331 HG2 GLU 122 2HG GLU 122 8.501 6.227 -7.929 332 HG3 GLU 122 1HG GLU 122 8.676 6.401 -6.183 333 H GLN 123 H GLN 123 7.601 2.640 -8.836 334 HA GLN 123 HA GLN 123 6.105 4.622 -10.261 335 HB2 GLN 123 2HB GLN 123 6.780 1.735 -10.812 336 HB3 GLN 123 1HB GLN 123 5.722 2.656 -11.883 337 HG2 GLN 123 2HG GLN 123 8.468 3.631 -11.065 338 HG3 GLN 123 1HG GLN 123 8.190 2.673 -12.517 339 HE21 GLN 123 1HE2 GLN 123 8.624 5.799 -11.610 340 HE22 GLN 123 2HE2 GLN 123 7.661 6.581 -12.769 341 H MET 124 H MET 124 5.224 1.626 -8.556 342 HA MET 124 HA MET 124 2.499 1.652 -9.286 343 HB2 MET 124 2HB MET 124 3.605 -0.343 -8.402 344 HB3 MET 124 1HB MET 124 3.862 0.470 -6.858 345 HG2 MET 124 2HG MET 124 1.507 0.607 -6.451 346 HG3 MET 124 1HG MET 124 1.133 0.078 -8.087 347 HE1 MET 124 3HE MET 124 2.999 -2.350 -4.693 348 HE2 MET 124 1HE MET 124 3.016 -0.602 -4.962 349 HE3 MET 124 2HE MET 124 4.094 -1.650 -5.880 350 H ILE 125 H ILE 125 4.269 3.019 -6.524 351 HA ILE 125 HA ILE 125 1.988 3.953 -5.121 352 HB ILE 125 HB ILE 125 4.859 4.917 -5.153 353 HG12 ILE 125 2HG1 ILE 125 4.114 2.516 -4.319 354 HG13 ILE 125 1HG1 ILE 125 5.246 3.460 -3.361 355 HG21 ILE 125 1HG2 ILE 125 2.490 5.724 -3.465 356 HG22 ILE 125 2HG2 ILE 125 3.639 6.760 -4.313 357 HG23 ILE 125 3HG2 ILE 125 4.141 5.886 -2.867 358 HD11 ILE 125 3HD1 ILE 125 3.586 4.059 -1.787 359 HD12 ILE 125 1HD1 ILE 125 3.261 2.362 -2.126 360 HD13 ILE 125 2HD1 ILE 125 2.281 3.615 -2.873 361 H LYS 126 H LYS 126 4.184 5.500 -7.392 362 HA LYS 126 HA LYS 126 2.891 8.017 -7.452 363 HB2 LYS 126 2HB LYS 126 4.684 6.654 -9.422 364 HB3 LYS 126 1HB LYS 126 4.091 8.296 -9.633 365 HG2 LYS 126 2HG LYS 126 5.123 8.989 -7.544 366 HG3 LYS 126 1HG LYS 126 5.601 7.331 -7.193 367 HD2 LYS 126 2HD LYS 126 7.544 8.471 -8.078 368 HD3 LYS 126 1HD LYS 126 6.968 7.352 -9.313 369 HE2 LYS 126 2HE LYS 126 6.020 9.088 -10.613 370 HE3 LYS 126 1HE LYS 126 6.060 10.235 -9.274 371 HZ1 LYS 126 3HZ LYS 126 8.623 9.133 -10.014 372 HZ2 LYS 126 1HZ LYS 126 8.186 10.735 -9.669 373 HZ3 LYS 126 2HZ LYS 126 7.894 10.091 -11.214 374 H GLU 127 H GLU 127 2.512 5.109 -9.374 375 HA GLU 127 HA GLU 127 0.608 6.243 -11.195 376 HB2 GLU 127 2HB GLU 127 2.059 4.266 -11.676 377 HB3 GLU 127 1HB GLU 127 1.051 3.340 -10.581 378 HG2 GLU 127 2HG GLU 127 -0.925 3.784 -11.929 379 HG3 GLU 127 1HG GLU 127 0.003 4.840 -12.993 380 H ALA 128 H ALA 128 0.452 4.431 -8.202 381 HA ALA 128 HA ALA 128 -2.397 4.004 -8.332 382 HB1 ALA 128 1HB ALA 128 -2.220 3.136 -6.101 383 HB2 ALA 128 2HB ALA 128 -0.637 3.881 -5.882 384 HB3 ALA 128 3HB ALA 128 -0.836 2.551 -7.025 385 H ASP 129 H ASP 129 -0.316 6.495 -7.061 386 HA ASP 129 HA ASP 129 -2.235 7.691 -5.344 387 HB2 ASP 129 2HB ASP 129 0.150 8.081 -5.107 388 HB3 ASP 129 1HB ASP 129 0.200 8.906 -6.652 389 H LEU 130 H LEU 130 -4.070 8.489 -6.029 390 HA LEU 130 HA LEU 130 -4.262 9.696 -8.661 391 HB2 LEU 130 2HB LEU 130 -6.056 8.179 -7.922 392 HB3 LEU 130 1HB LEU 130 -6.416 9.255 -6.574 393 HG LEU 130 HG LEU 130 -6.984 11.064 -8.160 394 HD11 LEU 130 1HD1 LEU 130 -5.993 9.044 -10.159 395 HD12 LEU 130 2HD1 LEU 130 -5.736 10.786 -10.104 396 HD13 LEU 130 3HD1 LEU 130 -7.284 10.148 -10.645 397 HD21 LEU 130 3HD2 LEU 130 -8.399 8.480 -8.876 398 HD22 LEU 130 1HD2 LEU 130 -9.057 10.111 -9.002 399 HD23 LEU 130 2HD2 LEU 130 -8.716 9.417 -7.416 400 H ASP 131 H ASP 131 -4.067 10.681 -5.333 401 HA ASP 131 HA ASP 131 -5.100 13.336 -5.789 402 HB2 ASP 131 2HB ASP 131 -3.508 12.285 -3.445 403 HB3 ASP 131 1HB ASP 131 -4.470 13.761 -3.490 404 H GLY 132 H GLY 132 -2.120 11.835 -6.437 405 HA2 GLY 132 2HA GLY 132 -0.164 12.725 -7.264 406 HA3 GLY 132 1HA GLY 132 -0.946 14.302 -7.257 407 H ASP 133 H ASP 133 -0.906 12.499 -4.289 408 HA ASP 133 HA ASP 133 0.905 14.516 -3.125 409 HB2 ASP 133 2HB ASP 133 0.145 13.583 -0.954 410 HB3 ASP 133 1HB ASP 133 -1.186 14.170 -1.949 411 H GLY 134 H GLY 134 0.974 11.342 -4.298 412 HA2 GLY 134 2HA GLY 134 2.856 9.973 -4.523 413 HA3 GLY 134 1HA GLY 134 3.697 10.971 -3.341 414 H GLN 135 H GLN 135 0.587 10.162 -2.318 415 HA GLN 135 HA GLN 135 1.610 7.930 -0.657 416 HB2 GLN 135 2HB GLN 135 0.263 10.479 -0.012 417 HB3 GLN 135 1HB GLN 135 -0.495 9.089 0.735 418 HG2 GLN 135 2HG GLN 135 1.536 8.439 1.802 419 HG3 GLN 135 1HG GLN 135 2.468 9.622 0.884 420 HE21 GLN 135 1HE2 GLN 135 1.939 9.319 3.901 421 HE22 GLN 135 2HE2 GLN 135 1.379 10.850 4.372 422 H VAL 136 H VAL 136 0.241 6.210 -0.283 423 HA VAL 136 HA VAL 136 -1.944 5.925 -2.223 424 HB VAL 136 HB VAL 136 -0.484 4.052 -0.351 425 HG11 VAL 136 1HG1 VAL 136 -2.702 3.323 0.002 426 HG12 VAL 136 2HG1 VAL 136 -2.122 2.281 -1.299 427 HG13 VAL 136 3HG1 VAL 136 -3.172 3.652 -1.663 428 HG21 VAL 136 3HG2 VAL 136 0.240 4.649 -2.761 429 HG22 VAL 136 1HG2 VAL 136 -1.152 3.699 -3.278 430 HG23 VAL 136 2HG2 VAL 136 0.137 2.938 -2.347 431 H ASN 137 H ASN 137 -3.945 6.605 -1.668 432 HA ASN 137 HA ASN 137 -4.654 6.717 1.204 433 HB2 ASN 137 2HB ASN 137 -4.810 8.781 -0.316 434 HB3 ASN 137 1HB ASN 137 -6.185 7.974 -1.069 435 HD21 ASN 137 1HD2 ASN 137 -7.554 9.766 -0.170 436 HD22 ASN 137 2HD2 ASN 137 -8.015 9.721 1.464 437 H TYR 138 H TYR 138 -7.049 6.278 1.607 438 HA TYR 138 HA TYR 138 -7.669 3.641 1.217 439 HB2 TYR 138 2HB TYR 138 -8.880 5.217 2.734 440 HB3 TYR 138 1HB TYR 138 -9.728 5.855 1.324 441 HD1 TYR 138 1HD TYR 138 -9.081 2.735 3.264 442 HD2 TYR 138 2HD TYR 138 -11.593 4.715 0.396 443 HE1 TYR 138 1HE TYR 138 -10.707 0.871 3.401 444 HE2 TYR 138 2HE TYR 138 -13.218 2.851 0.532 445 HH TYR 138 HH TYR 138 -13.356 0.706 2.938 446 H GLU 139 H GLU 139 -8.909 6.332 -0.807 447 HA GLU 139 HA GLU 139 -10.326 4.708 -2.618 448 HB2 GLU 139 2HB GLU 139 -10.598 7.166 -2.436 449 HB3 GLU 139 1HB GLU 139 -9.009 7.378 -3.168 450 HG2 GLU 139 2HG GLU 139 -9.774 6.225 -5.202 451 HG3 GLU 139 1HG GLU 139 -11.355 5.959 -4.468 452 H GLU 140 H GLU 140 -6.967 5.931 -2.779 453 HA GLU 140 HA GLU 140 -6.448 4.780 -5.312 454 HB2 GLU 140 2HB GLU 140 -4.559 5.566 -3.116 455 HB3 GLU 140 1HB GLU 140 -4.091 5.151 -4.745 456 HG2 GLU 140 2HG GLU 140 -5.018 7.066 -5.680 457 HG3 GLU 140 1HG GLU 140 -6.186 7.269 -4.394 458 H PHE 141 H PHE 141 -5.893 3.653 -1.993 459 HA PHE 141 HA PHE 141 -4.562 1.273 -2.677 460 HB2 PHE 141 2HB PHE 141 -4.662 2.168 -0.373 461 HB3 PHE 141 1HB PHE 141 -6.380 1.794 -0.311 462 HD1 PHE 141 1HD PHE 141 -3.175 0.062 -1.278 463 HD2 PHE 141 2HD PHE 141 -6.953 -0.205 0.772 464 HE1 PHE 141 1HE PHE 141 -2.637 -2.249 -0.581 465 HE2 PHE 141 2HE PHE 141 -6.407 -2.517 1.458 466 HZ PHE 141 HZ PHE 141 -4.252 -3.540 0.784 467 H VAL 142 H VAL 142 -7.996 1.915 -2.039 468 HA VAL 142 HA VAL 142 -8.931 -0.681 -2.586 469 HB VAL 142 HB VAL 142 -10.225 2.045 -2.802 470 HG11 VAL 142 1HG1 VAL 142 -11.357 -0.683 -3.437 471 HG12 VAL 142 2HG1 VAL 142 -11.467 0.799 -4.385 472 HG13 VAL 142 3HG1 VAL 142 -12.397 0.636 -2.895 473 HG21 VAL 142 3HG2 VAL 142 -10.418 -0.277 -0.876 474 HG22 VAL 142 1HG2 VAL 142 -11.521 1.094 -0.844 475 HG23 VAL 142 2HG2 VAL 142 -9.803 1.336 -0.538 476 H LYS 143 H LYS 143 -8.547 2.156 -4.696 477 HA LYS 143 HA LYS 143 -9.512 0.953 -7.036 478 HB2 LYS 143 2HB LYS 143 -9.138 3.400 -6.629 479 HB3 LYS 143 1HB LYS 143 -7.415 3.119 -6.762 480 HG2 LYS 143 2HG LYS 143 -8.081 3.833 -8.936 481 HG3 LYS 143 1HG LYS 143 -7.893 2.087 -9.064 482 HD2 LYS 143 2HD LYS 143 -10.231 1.708 -9.064 483 HD3 LYS 143 1HD LYS 143 -10.583 3.312 -8.422 484 HE2 LYS 143 2HE LYS 143 -11.123 3.257 -10.785 485 HE3 LYS 143 1HE LYS 143 -9.715 4.290 -10.545 486 HZ1 LYS 143 3HZ LYS 143 -8.402 2.145 -10.982 487 HZ2 LYS 143 1HZ LYS 143 -9.097 2.950 -12.303 488 HZ3 LYS 143 2HZ LYS 143 -9.848 1.567 -11.663 489 H MET 144 H MET 144 -6.206 1.352 -5.787 490 HA MET 144 HA MET 144 -4.915 -0.041 -7.911 491 HB2 MET 144 2HB MET 144 -3.898 1.515 -6.114 492 HB3 MET 144 1HB MET 144 -3.873 0.096 -5.095 493 HG2 MET 144 2HG MET 144 -2.621 0.143 -7.859 494 HG3 MET 144 1HG MET 144 -1.728 0.505 -6.388 495 HE1 MET 144 3HE MET 144 -1.903 -2.488 -4.235 496 HE2 MET 144 1HE MET 144 -1.812 -0.730 -4.409 497 HE3 MET 144 2HE MET 144 -0.482 -1.744 -4.962 498 H MET 145 H MET 145 -6.068 -0.938 -4.733 499 HA MET 145 HA MET 145 -5.136 -3.604 -4.746 500 HB2 MET 145 2HB MET 145 -5.888 -2.528 -2.685 501 HB3 MET 145 1HB MET 145 -7.536 -2.446 -3.310 502 HG2 MET 145 2HG MET 145 -6.307 -5.165 -3.392 503 HG3 MET 145 1HG MET 145 -6.592 -4.525 -1.777 504 HE1 MET 145 3HE MET 145 -9.934 -4.156 -1.066 505 HE2 MET 145 1HE MET 145 -9.792 -2.856 -2.253 506 HE3 MET 145 2HE MET 145 -8.440 -3.229 -1.186 507 H MET 146 H MET 146 -8.084 -2.111 -5.963 508 HA MET 146 HA MET 146 -9.357 -4.586 -6.644 509 HB2 MET 146 2HB MET 146 -9.816 -1.696 -7.377 510 HB3 MET 146 1HB MET 146 -10.718 -2.982 -8.181 511 HG2 MET 146 2HG MET 146 -10.560 -2.714 -5.172 512 HG3 MET 146 1HG MET 146 -11.853 -2.004 -6.136 513 HE1 MET 146 3HE MET 146 -13.530 -3.096 -4.821 514 HE2 MET 146 1HE MET 146 -12.525 -4.121 -3.789 515 HE3 MET 146 2HE MET 146 -13.869 -4.818 -4.688 516 H THR 147 H THR 147 -7.342 -2.238 -8.395 517 HA THR 147 HA THR 147 -7.544 -3.070 -10.980 518 HB THR 147 HB THR 147 -4.854 -2.583 -9.712 519 HG1 THR 147 1HG THR 147 -6.463 -0.481 -10.629 520 HG21 THR 147 3HG2 THR 147 -6.090 -1.824 -12.386 521 HG22 THR 147 1HG2 THR 147 -4.902 -3.101 -12.124 522 HG23 THR 147 2HG2 THR 147 -4.454 -1.414 -11.870 523 H VAL 148 H VAL 148 -6.496 -4.940 -8.349 524 HA VAL 148 HA VAL 148 -4.708 -6.712 -9.645 525 HB VAL 148 HB VAL 148 -4.979 -8.105 -7.729 526 HG11 VAL 148 1HG1 VAL 148 -4.877 -6.296 -5.860 527 HG12 VAL 148 2HG1 VAL 148 -4.996 -5.146 -7.190 528 HG13 VAL 148 3HG1 VAL 148 -3.651 -6.278 -7.124 529 HG21 VAL 148 3HG2 VAL 148 -7.574 -6.610 -7.411 530 HG22 VAL 148 1HG2 VAL 148 -6.809 -7.342 -6.002 531 HG23 VAL 148 2HG2 VAL 148 -7.288 -8.349 -7.369 532 H ARG 149 H ARG 149 -7.622 -6.104 -10.704 533 HA ARG 149 HA ARG 149 -9.236 -8.293 -10.791 534 HB2 ARG 149 2HB ARG 149 -8.436 -6.514 -13.108 535 HB3 ARG 149 1HB ARG 149 -9.793 -7.640 -13.142 536 HG2 ARG 149 2HG ARG 149 -10.842 -6.476 -11.258 537 HG3 ARG 149 1HG ARG 149 -9.465 -5.382 -11.149 538 HD2 ARG 149 2HD ARG 149 -11.223 -4.259 -12.374 539 HD3 ARG 149 1HD ARG 149 -9.923 -4.650 -13.496 540 HE ARG 149 HE ARG 149 -11.872 -6.734 -13.438 541 HH11 ARG 149 1HH2 ARG 149 -11.234 -3.526 -14.548 542 HH12 ARG 149 2HH2 ARG 149 -12.288 -3.637 -15.919 543 HH21 ARG 149 1HH1 ARG 149 -13.263 -6.896 -15.233 544 HH22 ARG 149 2HH1 ARG 149 -13.438 -5.547 -16.307 Start of MODEL 7 1 H1 ASP 80 1HT ASP 80 -18.765 -6.185 3.837 2 H2 ASP 80 2HT ASP 80 -19.348 -6.465 5.409 3 H3 ASP 80 3HT ASP 80 -19.799 -7.495 4.135 4 HA ASP 80 HA ASP 80 -17.675 -7.804 5.875 5 HB2 ASP 80 2HB ASP 80 -19.094 -9.520 4.683 6 HB3 ASP 80 1HB ASP 80 -18.135 -9.204 3.240 7 H ALA 81 H ALA 81 -17.336 -7.697 2.309 8 HA ALA 81 HA ALA 81 -14.584 -7.419 2.230 9 HB1 ALA 81 1HB ALA 81 -14.873 -6.406 0.013 10 HB2 ALA 81 2HB ALA 81 -16.576 -6.108 0.363 11 HB3 ALA 81 3HB ALA 81 -15.980 -7.763 0.225 12 H GLU 82 H GLU 82 -17.025 -4.830 2.438 13 HA GLU 82 HA GLU 82 -15.179 -2.694 2.481 14 HB2 GLU 82 2HB GLU 82 -17.854 -2.810 2.294 15 HB3 GLU 82 1HB GLU 82 -17.706 -2.389 4.001 16 HG2 GLU 82 2HG GLU 82 -16.425 -0.922 1.689 17 HG3 GLU 82 1HG GLU 82 -17.806 -0.365 2.627 18 H GLU 83 H GLU 83 -16.417 -4.800 4.986 19 HA GLU 83 HA GLU 83 -15.436 -3.246 7.189 20 HB2 GLU 83 2HB GLU 83 -16.136 -6.181 6.969 21 HB3 GLU 83 1HB GLU 83 -15.683 -5.389 8.474 22 HG2 GLU 83 2HG GLU 83 -17.567 -3.855 8.286 23 HG3 GLU 83 1HG GLU 83 -17.987 -4.520 6.706 24 H GLU 84 H GLU 84 -14.272 -6.430 6.049 25 HA GLU 84 HA GLU 84 -11.830 -6.468 7.263 26 HB2 GLU 84 2HB GLU 84 -12.506 -7.404 4.467 27 HB3 GLU 84 1HB GLU 84 -11.018 -7.821 5.316 28 HG2 GLU 84 2HG GLU 84 -12.298 -8.877 7.110 29 HG3 GLU 84 1HG GLU 84 -13.811 -8.396 6.345 30 H LEU 85 H LEU 85 -12.692 -4.630 4.342 31 HA LEU 85 HA LEU 85 -10.063 -3.839 3.678 32 HB2 LEU 85 2HB LEU 85 -12.791 -2.707 3.115 33 HB3 LEU 85 1HB LEU 85 -11.344 -1.844 2.606 34 HG LEU 85 HG LEU 85 -11.807 -4.761 1.941 35 HD11 LEU 85 1HD1 LEU 85 -12.627 -2.275 0.422 36 HD12 LEU 85 2HD1 LEU 85 -13.656 -3.609 0.943 37 HD13 LEU 85 3HD1 LEU 85 -12.475 -3.857 -0.344 38 HD21 LEU 85 3HD2 LEU 85 -10.256 -3.862 -0.041 39 HD22 LEU 85 1HD2 LEU 85 -9.560 -4.348 1.499 40 HD23 LEU 85 2HD2 LEU 85 -9.818 -2.641 1.149 41 H LYS 86 H LYS 86 -12.534 -2.305 5.738 42 HA LYS 86 HA LYS 86 -11.008 -0.004 6.354 43 HB2 LYS 86 2HB LYS 86 -13.238 -1.423 7.802 44 HB3 LYS 86 1HB LYS 86 -12.489 0.040 8.439 45 HG2 LYS 86 2HG LYS 86 -13.033 1.225 6.334 46 HG3 LYS 86 1HG LYS 86 -13.812 -0.231 5.723 47 HD2 LYS 86 2HD LYS 86 -15.644 0.904 6.603 48 HD3 LYS 86 1HD LYS 86 -15.174 -0.088 7.983 49 HE2 LYS 86 2HE LYS 86 -15.553 2.263 8.653 50 HE3 LYS 86 1HE LYS 86 -13.874 1.791 8.903 51 HZ1 LYS 86 3HZ LYS 86 -14.330 3.999 7.748 52 HZ2 LYS 86 1HZ LYS 86 -14.751 3.072 6.392 53 HZ3 LYS 86 2HZ LYS 86 -13.184 2.964 7.038 54 H GLU 87 H GLU 87 -11.198 -3.207 7.906 55 HA GLU 87 HA GLU 87 -9.443 -2.498 10.052 56 HB2 GLU 87 2HB GLU 87 -11.082 -4.370 10.171 57 HB3 GLU 87 1HB GLU 87 -10.121 -5.233 8.974 58 HG2 GLU 87 2HG GLU 87 -8.200 -5.252 10.442 59 HG3 GLU 87 1HG GLU 87 -9.049 -4.258 11.622 60 H ALA 88 H ALA 88 -9.027 -4.377 7.037 61 HA ALA 88 HA ALA 88 -6.338 -4.982 7.329 62 HB1 ALA 88 1HB ALA 88 -7.959 -4.403 4.845 63 HB2 ALA 88 2HB ALA 88 -7.552 -5.979 5.525 64 HB3 ALA 88 3HB ALA 88 -6.294 -4.984 4.793 65 H PHE 89 H PHE 89 -7.828 -2.085 5.886 66 HA PHE 89 HA PHE 89 -5.436 -0.785 5.160 67 HB2 PHE 89 2HB PHE 89 -7.661 -0.074 4.371 68 HB3 PHE 89 1HB PHE 89 -8.065 0.446 6.007 69 HD1 PHE 89 1HD PHE 89 -5.940 1.124 3.059 70 HD2 PHE 89 2HD PHE 89 -7.085 2.453 6.973 71 HE1 PHE 89 1HE PHE 89 -4.874 3.312 2.624 72 HE2 PHE 89 2HE PHE 89 -6.012 4.641 6.545 73 HZ PHE 89 HZ PHE 89 -4.901 5.072 4.370 74 H LYS 90 H LYS 90 -7.339 -0.719 8.178 75 HA LYS 90 HA LYS 90 -5.808 1.237 9.500 76 HB2 LYS 90 2HB LYS 90 -8.040 0.406 10.244 77 HB3 LYS 90 1HB LYS 90 -7.270 -1.099 10.746 78 HG2 LYS 90 2HG LYS 90 -5.841 0.116 12.315 79 HG3 LYS 90 1HG LYS 90 -6.516 1.654 11.775 80 HD2 LYS 90 2HD LYS 90 -8.760 0.922 12.531 81 HD3 LYS 90 1HD LYS 90 -8.061 -0.594 13.104 82 HE2 LYS 90 2HE LYS 90 -7.162 2.138 14.058 83 HE3 LYS 90 1HE LYS 90 -8.347 1.146 14.908 84 HZ1 LYS 90 3HZ LYS 90 -5.581 0.290 14.241 85 HZ2 LYS 90 1HZ LYS 90 -6.719 -0.595 15.135 86 HZ3 LYS 90 2HZ LYS 90 -6.085 0.851 15.764 87 H VAL 91 H VAL 91 -5.299 -2.220 9.030 88 HA VAL 91 HA VAL 91 -3.149 -2.355 10.961 89 HB VAL 91 HB VAL 91 -4.011 -4.295 8.809 90 HG11 VAL 91 1HG1 VAL 91 -1.708 -4.737 9.313 91 HG12 VAL 91 2HG1 VAL 91 -2.652 -5.904 10.238 92 HG13 VAL 91 3HG1 VAL 91 -1.971 -4.487 11.039 93 HG21 VAL 91 3HG2 VAL 91 -4.393 -4.402 11.814 94 HG22 VAL 91 1HG2 VAL 91 -5.105 -5.473 10.607 95 HG23 VAL 91 2HG2 VAL 91 -5.618 -3.789 10.703 96 H PHE 92 H PHE 92 -3.471 -1.792 7.514 97 HA PHE 92 HA PHE 92 -0.725 -2.178 6.841 98 HB2 PHE 92 2HB PHE 92 -3.040 -0.805 5.539 99 HB3 PHE 92 1HB PHE 92 -1.420 -0.438 4.955 100 HD1 PHE 92 2HD PHE 92 -2.793 -3.635 6.308 101 HD2 PHE 92 1HD PHE 92 -1.222 -1.566 2.894 102 HE1 PHE 92 2HE PHE 92 -2.784 -5.749 5.039 103 HE2 PHE 92 1HE PHE 92 -1.217 -3.679 1.619 104 HZ PHE 92 HZ PHE 92 -1.994 -5.781 2.690 105 H ASP 93 H ASP 93 -2.555 0.574 8.064 106 HA ASP 93 HA ASP 93 -0.402 2.434 7.665 107 HB2 ASP 93 2HB ASP 93 -2.945 2.923 7.868 108 HB3 ASP 93 1HB ASP 93 -2.674 2.838 9.606 109 H LYS 94 H LYS 94 1.260 1.029 8.735 110 HA LYS 94 HA LYS 94 1.278 0.324 11.417 111 HB2 LYS 94 2HB LYS 94 3.526 1.260 9.629 112 HB3 LYS 94 1HB LYS 94 3.795 0.670 11.268 113 HG2 LYS 94 2HG LYS 94 2.835 -1.484 10.721 114 HG3 LYS 94 1HG LYS 94 2.332 -0.908 9.133 115 HD2 LYS 94 2HD LYS 94 4.355 -2.145 8.779 116 HD3 LYS 94 1HD LYS 94 4.793 -0.440 8.660 117 HE2 LYS 94 2HE LYS 94 5.769 -0.423 10.821 118 HE3 LYS 94 1HE LYS 94 4.994 -1.941 11.272 119 HZ1 LYS 94 3HZ LYS 94 7.100 -1.608 9.206 120 HZ2 LYS 94 1HZ LYS 94 6.335 -3.069 9.602 121 HZ3 LYS 94 2HZ LYS 94 7.313 -2.286 10.749 122 H ASP 95 H ASP 95 2.266 3.447 9.986 123 HA ASP 95 HA ASP 95 2.860 4.658 12.498 124 HB2 ASP 95 2HB ASP 95 2.070 6.188 10.024 125 HB3 ASP 95 1HB ASP 95 3.214 6.639 11.284 126 H GLN 96 H GLN 96 -0.022 3.678 11.171 127 HA GLN 96 HA GLN 96 -2.230 4.221 11.543 128 HB2 GLN 96 2HB GLN 96 -1.229 3.760 13.903 129 HB3 GLN 96 1HB GLN 96 -1.342 5.504 14.119 130 HG2 GLN 96 2HG GLN 96 -3.760 5.418 13.609 131 HG3 GLN 96 1HG GLN 96 -3.647 3.679 13.368 132 HE21 GLN 96 1HE2 GLN 96 -4.284 2.521 15.180 133 HE22 GLN 96 2HE2 GLN 96 -4.123 3.055 16.783 134 H ASN 97 H ASN 97 -0.508 6.258 10.201 135 HA ASN 97 HA ASN 97 -1.486 8.821 11.173 136 HB2 ASN 97 2HB ASN 97 -0.196 9.776 9.350 137 HB3 ASN 97 1HB ASN 97 0.782 8.585 10.208 138 HD21 ASN 97 1HD2 ASN 97 1.513 9.167 7.574 139 HD22 ASN 97 2HD2 ASN 97 1.110 7.861 6.567 140 H GLY 98 H GLY 98 -2.927 6.403 9.456 141 HA2 GLY 98 2HA GLY 98 -5.049 6.495 8.462 142 HA3 GLY 98 1HA GLY 98 -4.905 8.246 8.354 143 H TYR 99 H TYR 99 -2.042 7.386 7.197 144 HA TYR 99 HA TYR 99 -2.990 6.901 4.418 145 HB2 TYR 99 2HB TYR 99 -1.001 8.909 5.463 146 HB3 TYR 99 1HB TYR 99 -0.962 8.354 3.791 147 HD1 TYR 99 2HD TYR 99 -3.292 9.754 6.360 148 HD2 TYR 99 1HD TYR 99 -2.361 9.353 2.188 149 HE1 TYR 99 2HE TYR 99 -5.118 11.327 5.802 150 HE2 TYR 99 1HE TYR 99 -4.187 10.927 1.630 151 HH TYR 99 HH TYR 99 -6.609 11.756 3.735 152 H ILE 100 H ILE 100 -1.920 5.270 3.344 153 HA ILE 100 HA ILE 100 0.135 3.828 4.832 154 HB ILE 100 HB ILE 100 -0.779 3.236 2.024 155 HG12 ILE 100 2HG1 ILE 100 -2.039 2.246 4.610 156 HG13 ILE 100 1HG1 ILE 100 -2.757 3.434 3.527 157 HG21 ILE 100 1HG2 ILE 100 1.251 2.102 2.942 158 HG22 ILE 100 2HG2 ILE 100 -0.060 0.979 2.585 159 HG23 ILE 100 3HG2 ILE 100 0.255 1.465 4.250 160 HD11 ILE 100 3HD1 ILE 100 -1.971 0.630 2.686 161 HD12 ILE 100 1HD1 ILE 100 -2.837 1.819 1.716 162 HD13 ILE 100 2HD1 ILE 100 -3.606 1.106 3.134 163 H SER 101 H SER 101 2.267 4.057 4.554 164 HA SER 101 HA SER 101 3.223 5.932 2.466 165 HB2 SER 101 2HB SER 101 5.070 6.331 3.820 166 HB3 SER 101 1HB SER 101 3.826 5.996 5.021 167 HG SER 101 HG SER 101 5.518 4.711 5.557 168 H ALA 102 H ALA 102 5.004 5.390 1.085 169 HA ALA 102 HA ALA 102 4.902 2.923 -0.164 170 HB1 ALA 102 1HB ALA 102 7.006 3.467 -1.203 171 HB2 ALA 102 2HB ALA 102 7.404 4.600 0.089 172 HB3 ALA 102 3HB ALA 102 6.084 4.960 -1.025 173 H SER 103 H SER 103 6.926 3.904 2.592 174 HA SER 103 HA SER 103 8.478 1.550 2.743 175 HB2 SER 103 2HB SER 103 7.629 3.472 4.920 176 HB3 SER 103 1HB SER 103 8.846 2.213 5.114 177 HG SER 103 HG SER 103 9.228 4.622 4.218 178 H GLU 104 H GLU 104 5.270 2.355 4.105 179 HA GLU 104 HA GLU 104 5.075 -0.030 5.625 180 HB2 GLU 104 2HB GLU 104 3.004 1.938 4.639 181 HB3 GLU 104 1HB GLU 104 2.652 0.597 5.694 182 HG2 GLU 104 2HG GLU 104 4.337 1.470 7.316 183 HG3 GLU 104 1HG GLU 104 4.523 2.881 6.283 184 H LEU 105 H LEU 105 3.969 0.941 2.375 185 HA LEU 105 HA LEU 105 2.557 -1.453 1.827 186 HB2 LEU 105 2HB LEU 105 2.219 0.576 0.484 187 HB3 LEU 105 1HB LEU 105 3.890 0.528 -0.055 188 HG LEU 105 HG LEU 105 2.128 -0.399 -1.678 189 HD11 LEU 105 1HD1 LEU 105 3.983 -2.645 -1.279 190 HD12 LEU 105 2HD1 LEU 105 4.768 -1.072 -1.269 191 HD13 LEU 105 3HD1 LEU 105 3.803 -1.560 -2.651 192 HD21 LEU 105 3HD2 LEU 105 0.968 -1.692 0.227 193 HD22 LEU 105 1HD2 LEU 105 2.261 -2.875 0.068 194 HD23 LEU 105 2HD2 LEU 105 1.186 -2.560 -1.287 195 H ARG 106 H ARG 106 5.899 -0.448 1.200 196 HA ARG 106 HA ARG 106 6.687 -2.766 -0.208 197 HB2 ARG 106 2HB ARG 106 8.095 -0.819 -0.281 198 HB3 ARG 106 1HB ARG 106 8.299 -0.840 1.472 199 HG2 ARG 106 2HG ARG 106 10.236 -1.807 0.255 200 HG3 ARG 106 1HG ARG 106 9.494 -2.957 1.354 201 HD2 ARG 106 2HD ARG 106 8.521 -4.174 -0.384 202 HD3 ARG 106 1HD ARG 106 8.631 -2.830 -1.517 203 HE ARG 106 HE ARG 106 10.688 -4.772 -0.961 204 HH11 ARG 106 1HH2 ARG 106 9.968 -1.537 -1.896 205 HH12 ARG 106 2HH2 ARG 106 11.425 -1.316 -2.804 206 HH21 ARG 106 1HH1 ARG 106 12.615 -4.511 -2.155 207 HH22 ARG 106 2HH1 ARG 106 12.930 -3.006 -2.953 208 H HIS 107 H HIS 107 6.881 -1.963 3.262 209 HA HIS 107 HA HIS 107 8.132 -4.291 4.150 210 HB2 HIS 107 2HB HIS 107 7.652 -2.333 5.596 211 HB3 HIS 107 1HB HIS 107 5.939 -2.759 5.564 212 HD1 HIS 107 1HD HIS 107 5.647 -3.497 7.977 213 HD2 HIS 107 2HD HIS 107 8.827 -5.423 6.089 214 HE1 HIS 107 1HE HIS 107 6.414 -5.327 9.552 215 HE2 HIS 107 2HE HIS 107 8.351 -6.511 8.415 216 H VAL 108 H VAL 108 4.725 -3.691 3.419 217 HA VAL 108 HA VAL 108 3.729 -6.166 4.345 218 HB VAL 108 HB VAL 108 2.735 -4.307 2.182 219 HG11 VAL 108 1HG1 VAL 108 1.809 -6.461 1.677 220 HG12 VAL 108 2HG1 VAL 108 0.558 -5.578 2.549 221 HG13 VAL 108 3HG1 VAL 108 1.515 -6.805 3.382 222 HG21 VAL 108 3HG2 VAL 108 2.830 -3.604 4.661 223 HG22 VAL 108 1HG2 VAL 108 1.592 -4.827 4.930 224 HG23 VAL 108 2HG2 VAL 108 1.269 -3.466 3.857 225 H MET 109 H MET 109 5.006 -5.162 1.175 226 HA MET 109 HA MET 109 4.460 -7.548 -0.207 227 HB2 MET 109 2HB MET 109 6.478 -5.348 -0.526 228 HB3 MET 109 1HB MET 109 6.606 -6.794 -1.528 229 HG2 MET 109 2HG MET 109 5.187 -4.776 -2.395 230 HG3 MET 109 1HG MET 109 4.554 -6.411 -2.580 231 HE1 MET 109 3HE MET 109 1.144 -5.445 -1.707 232 HE2 MET 109 1HE MET 109 2.179 -6.792 -2.202 233 HE3 MET 109 2HE MET 109 2.299 -5.237 -3.021 234 H ILE 110 H ILE 110 7.252 -6.615 1.801 235 HA ILE 110 HA ILE 110 8.769 -8.967 1.316 236 HB ILE 110 HB ILE 110 8.790 -7.367 3.876 237 HG12 ILE 110 2HG1 ILE 110 8.911 -5.725 2.129 238 HG13 ILE 110 1HG1 ILE 110 10.569 -6.004 2.651 239 HG21 ILE 110 1HG2 ILE 110 11.222 -7.968 3.766 240 HG22 ILE 110 2HG2 ILE 110 10.880 -8.939 2.334 241 HG23 ILE 110 3HG2 ILE 110 10.171 -9.380 3.886 242 HD11 ILE 110 3HD1 ILE 110 9.192 -7.010 0.162 243 HD12 ILE 110 1HD1 ILE 110 10.657 -7.780 0.777 244 HD13 ILE 110 2HD1 ILE 110 10.688 -6.087 0.291 245 H ASN 111 H ASN 111 6.400 -8.120 3.830 246 HA ASN 111 HA ASN 111 6.591 -10.503 5.316 247 HB2 ASN 111 2HB ASN 111 5.404 -8.684 6.276 248 HB3 ASN 111 1HB ASN 111 4.309 -8.572 4.906 249 HD21 ASN 111 1HD2 ASN 111 4.692 -9.936 8.030 250 HD22 ASN 111 2HD2 ASN 111 3.417 -11.055 7.954 251 H LEU 112 H LEU 112 4.865 -9.723 2.363 252 HA LEU 112 HA LEU 112 3.426 -12.237 2.339 253 HB2 LEU 112 2HB LEU 112 3.586 -9.827 0.599 254 HB3 LEU 112 1HB LEU 112 3.137 -11.330 -0.193 255 HG LEU 112 HG LEU 112 1.348 -11.637 1.557 256 HD11 LEU 112 1HD1 LEU 112 2.001 -8.764 2.251 257 HD12 LEU 112 2HD1 LEU 112 2.467 -10.142 3.239 258 HD13 LEU 112 3HD1 LEU 112 0.762 -9.776 2.992 259 HD21 LEU 112 3HD2 LEU 112 -0.127 -9.826 0.640 260 HD22 LEU 112 1HD2 LEU 112 0.741 -10.727 -0.604 261 HD23 LEU 112 2HD2 LEU 112 1.296 -9.120 -0.131 262 H GLY 113 H GLY 113 6.574 -11.434 1.767 263 HA2 GLY 113 2HA GLY 113 8.288 -12.850 1.023 264 HA3 GLY 113 1HA GLY 113 7.063 -13.959 0.419 265 H GLU 114 H GLU 114 6.740 -10.639 -0.463 266 HA GLU 114 HA GLU 114 7.676 -11.261 -3.216 267 HB2 GLU 114 2HB GLU 114 5.524 -9.382 -2.219 268 HB3 GLU 114 1HB GLU 114 6.114 -9.399 -3.880 269 HG2 GLU 114 2HG GLU 114 5.429 -11.732 -4.136 270 HG3 GLU 114 1HG GLU 114 4.924 -11.792 -2.447 271 H LYS 115 H LYS 115 9.358 -10.068 -3.981 272 HA LYS 115 HA LYS 115 10.009 -7.512 -2.617 273 HB2 LYS 115 2HB LYS 115 12.461 -8.214 -3.163 274 HB3 LYS 115 1HB LYS 115 11.671 -8.925 -1.755 275 HG2 LYS 115 2HG LYS 115 11.091 -10.923 -3.041 276 HG3 LYS 115 1HG LYS 115 11.781 -10.213 -4.497 277 HD2 LYS 115 2HD LYS 115 13.991 -10.116 -3.392 278 HD3 LYS 115 1HD LYS 115 13.292 -10.879 -1.962 279 HE2 LYS 115 2HE LYS 115 13.242 -12.111 -4.730 280 HE3 LYS 115 1HE LYS 115 14.447 -12.498 -3.503 281 HZ1 LYS 115 3HZ LYS 115 12.722 -13.263 -2.044 282 HZ2 LYS 115 1HZ LYS 115 12.569 -14.062 -3.532 283 HZ3 LYS 115 2HZ LYS 115 11.515 -12.789 -3.142 284 H LEU 116 H LEU 116 9.555 -6.003 -4.138 285 HA LEU 116 HA LEU 116 10.438 -6.522 -6.927 286 HB2 LEU 116 2HB LEU 116 8.363 -4.572 -5.890 287 HB3 LEU 116 1HB LEU 116 8.794 -4.810 -7.581 288 HG LEU 116 HG LEU 116 8.242 -7.365 -6.951 289 HD11 LEU 116 1HD1 LEU 116 7.694 -6.902 -4.613 290 HD12 LEU 116 2HD1 LEU 116 6.237 -7.398 -5.464 291 HD13 LEU 116 3HD1 LEU 116 6.508 -5.694 -5.097 292 HD21 LEU 116 3HD2 LEU 116 5.934 -6.922 -7.810 293 HD22 LEU 116 1HD2 LEU 116 7.184 -6.131 -8.766 294 HD23 LEU 116 2HD2 LEU 116 6.229 -5.195 -7.619 295 H THR 117 H THR 117 11.336 -4.628 -8.090 296 HA THR 117 HA THR 117 13.326 -3.323 -6.506 297 HB THR 117 HB THR 117 14.104 -2.387 -8.522 298 HG1 THR 117 1HG THR 117 11.644 -1.793 -8.898 299 HG21 THR 117 3HG2 THR 117 14.144 -4.214 -10.048 300 HG22 THR 117 1HG2 THR 117 12.558 -4.783 -9.524 301 HG23 THR 117 2HG2 THR 117 13.950 -4.941 -8.454 302 H ASP 118 H ASP 118 13.564 -0.900 -6.358 303 HA ASP 118 HA ASP 118 11.251 0.272 -5.230 304 HB2 ASP 118 2HB ASP 118 13.875 1.437 -6.153 305 HB3 ASP 118 1HB ASP 118 12.615 2.415 -5.400 306 H GLU 119 H GLU 119 12.701 0.534 -8.455 307 HA GLU 119 HA GLU 119 11.160 2.636 -9.448 308 HB2 GLU 119 2HB GLU 119 12.283 0.217 -10.852 309 HB3 GLU 119 1HB GLU 119 11.553 1.588 -11.688 310 HG2 GLU 119 2HG GLU 119 13.196 3.108 -10.681 311 HG3 GLU 119 1HG GLU 119 13.897 1.764 -9.795 312 H GLU 120 H GLU 120 10.383 -0.831 -9.167 313 HA GLU 120 HA GLU 120 7.930 -0.633 -10.605 314 HB2 GLU 120 2HB GLU 120 8.923 -2.687 -8.608 315 HB3 GLU 120 1HB GLU 120 7.472 -2.864 -9.596 316 HG2 GLU 120 2HG GLU 120 10.251 -2.426 -10.701 317 HG3 GLU 120 1HG GLU 120 9.473 -3.995 -10.576 318 H VAL 121 H VAL 121 8.775 -0.663 -7.144 319 HA VAL 121 HA VAL 121 6.118 -0.444 -6.197 320 HB VAL 121 HB VAL 121 8.739 0.399 -4.944 321 HG11 VAL 121 1HG1 VAL 121 7.352 0.280 -2.803 322 HG12 VAL 121 2HG1 VAL 121 5.923 0.301 -3.835 323 HG13 VAL 121 3HG1 VAL 121 7.035 1.669 -3.840 324 HG21 VAL 121 3HG2 VAL 121 8.445 -2.025 -5.408 325 HG22 VAL 121 1HG2 VAL 121 6.942 -2.005 -4.488 326 HG23 VAL 121 2HG2 VAL 121 8.475 -1.689 -3.677 327 H GLU 122 H GLU 122 8.611 2.056 -6.786 328 HA GLU 122 HA GLU 122 7.095 4.270 -6.026 329 HB2 GLU 122 2HB GLU 122 9.251 3.985 -8.124 330 HB3 GLU 122 1HB GLU 122 8.565 5.534 -7.643 331 HG2 GLU 122 2HG GLU 122 9.263 5.168 -5.329 332 HG3 GLU 122 1HG GLU 122 9.880 3.569 -5.745 333 H GLN 123 H GLN 123 7.162 2.480 -9.075 334 HA GLN 123 HA GLN 123 5.510 4.302 -10.516 335 HB2 GLN 123 2HB GLN 123 6.935 2.582 -11.606 336 HB3 GLN 123 1HB GLN 123 5.871 1.329 -10.966 337 HG2 GLN 123 2HG GLN 123 5.213 1.831 -13.257 338 HG3 GLN 123 1HG GLN 123 3.957 2.399 -12.161 339 HE21 GLN 123 1HE2 GLN 123 3.195 4.154 -13.477 340 HE22 GLN 123 2HE2 GLN 123 4.164 5.493 -13.862 341 H MET 124 H MET 124 4.811 1.413 -8.550 342 HA MET 124 HA MET 124 2.057 1.303 -9.144 343 HB2 MET 124 2HB MET 124 3.339 -0.558 -8.129 344 HB3 MET 124 1HB MET 124 3.506 0.392 -6.651 345 HG2 MET 124 2HG MET 124 1.177 0.343 -6.229 346 HG3 MET 124 1HG MET 124 0.817 -0.221 -7.857 347 HE1 MET 124 3HE MET 124 2.894 -2.568 -4.521 348 HE2 MET 124 1HE MET 124 2.725 -0.816 -4.698 349 HE3 MET 124 2HE MET 124 3.882 -1.700 -5.691 350 H ILE 125 H ILE 125 3.881 2.888 -6.520 351 HA ILE 125 HA ILE 125 1.622 3.887 -5.135 352 HB ILE 125 HB ILE 125 4.394 5.091 -5.329 353 HG12 ILE 125 2HG1 ILE 125 4.164 2.589 -4.637 354 HG13 ILE 125 1HG1 ILE 125 5.085 3.653 -3.584 355 HG21 ILE 125 1HG2 ILE 125 3.722 5.793 -2.920 356 HG22 ILE 125 2HG2 ILE 125 2.069 5.459 -3.438 357 HG23 ILE 125 3HG2 ILE 125 3.020 6.690 -4.267 358 HD11 ILE 125 3HD1 ILE 125 2.159 2.991 -3.171 359 HD12 ILE 125 1HD1 ILE 125 3.205 3.878 -2.070 360 HD13 ILE 125 2HD1 ILE 125 3.476 2.163 -2.356 361 H LYS 126 H LYS 126 3.714 5.333 -7.584 362 HA LYS 126 HA LYS 126 2.338 7.801 -7.779 363 HB2 LYS 126 2HB LYS 126 4.043 6.351 -9.772 364 HB3 LYS 126 1HB LYS 126 3.488 8.006 -9.976 365 HG2 LYS 126 2HG LYS 126 4.888 7.233 -7.435 366 HG3 LYS 126 1HG LYS 126 5.844 7.525 -8.887 367 HD2 LYS 126 2HD LYS 126 4.794 9.748 -9.136 368 HD3 LYS 126 1HD LYS 126 3.858 9.466 -7.668 369 HE2 LYS 126 2HE LYS 126 5.809 10.790 -7.097 370 HE3 LYS 126 1HE LYS 126 6.009 9.177 -6.415 371 HZ1 LYS 126 3HZ LYS 126 7.956 10.199 -7.687 372 HZ2 LYS 126 1HZ LYS 126 7.067 9.846 -9.088 373 HZ3 LYS 126 2HZ LYS 126 7.535 8.591 -8.043 374 H GLU 127 H GLU 127 2.033 4.775 -9.589 375 HA GLU 127 HA GLU 127 0.027 5.713 -11.375 376 HB2 GLU 127 2HB GLU 127 1.477 3.711 -11.718 377 HB3 GLU 127 1HB GLU 127 0.514 2.883 -10.509 378 HG2 GLU 127 2HG GLU 127 -1.517 3.229 -11.835 379 HG3 GLU 127 1HG GLU 127 -0.591 4.118 -13.045 380 H ALA 128 H ALA 128 -0.035 4.159 -8.229 381 HA ALA 128 HA ALA 128 -2.905 3.773 -8.264 382 HB1 ALA 128 1HB ALA 128 -0.901 3.580 -6.014 383 HB2 ALA 128 2HB ALA 128 -1.550 2.248 -6.970 384 HB3 ALA 128 3HB ALA 128 -2.606 3.148 -5.880 385 H ASP 129 H ASP 129 -0.691 6.245 -7.171 386 HA ASP 129 HA ASP 129 -2.660 7.582 -5.533 387 HB2 ASP 129 2HB ASP 129 0.056 8.325 -6.519 388 HB3 ASP 129 1HB ASP 129 -0.916 9.440 -5.584 389 H LEU 130 H LEU 130 -4.195 8.893 -6.216 390 HA LEU 130 HA LEU 130 -4.220 9.769 -8.984 391 HB2 LEU 130 2HB LEU 130 -6.472 10.669 -8.433 392 HB3 LEU 130 1HB LEU 130 -6.303 8.955 -8.074 393 HG LEU 130 HG LEU 130 -5.507 10.054 -5.683 394 HD11 LEU 130 1HD1 LEU 130 -7.168 11.810 -5.136 395 HD12 LEU 130 2HD1 LEU 130 -7.697 11.827 -6.818 396 HD13 LEU 130 3HD1 LEU 130 -6.061 12.334 -6.402 397 HD21 LEU 130 3HD2 LEU 130 -8.310 9.335 -6.595 398 HD22 LEU 130 1HD2 LEU 130 -7.816 9.484 -4.907 399 HD23 LEU 130 2HD2 LEU 130 -7.109 8.229 -5.927 400 H ASP 131 H ASP 131 -3.259 11.055 -5.961 401 HA ASP 131 HA ASP 131 -3.319 13.801 -7.073 402 HB2 ASP 131 2HB ASP 131 -3.211 14.575 -4.744 403 HB3 ASP 131 1HB ASP 131 -4.628 13.567 -5.026 404 H GLY 132 H GLY 132 -1.218 11.432 -7.139 405 HA2 GLY 132 2HA GLY 132 1.072 11.210 -6.843 406 HA3 GLY 132 1HA GLY 132 1.065 12.842 -7.503 407 H ASP 133 H ASP 133 -0.341 11.983 -4.355 408 HA ASP 133 HA ASP 133 1.249 14.004 -3.058 409 HB2 ASP 133 2HB ASP 133 0.079 13.261 -1.012 410 HB3 ASP 133 1HB ASP 133 -1.051 13.556 -2.335 411 H GLY 134 H GLY 134 1.581 10.634 -3.676 412 HA2 GLY 134 2HA GLY 134 3.649 9.490 -3.435 413 HA3 GLY 134 1HA GLY 134 4.089 10.603 -2.141 414 H GLN 135 H GLN 135 1.017 10.013 -1.447 415 HA GLN 135 HA GLN 135 1.637 7.656 0.237 416 HB2 GLN 135 2HB GLN 135 0.019 10.159 0.701 417 HB3 GLN 135 1HB GLN 135 -0.186 8.724 1.681 418 HG2 GLN 135 2HG GLN 135 2.457 10.117 1.258 419 HG3 GLN 135 1HG GLN 135 1.421 10.363 2.664 420 HE21 GLN 135 1HE2 GLN 135 0.574 7.672 3.120 421 HE22 GLN 135 2HE2 GLN 135 1.930 6.747 3.552 422 H VAL 136 H VAL 136 0.352 5.906 0.019 423 HA VAL 136 HA VAL 136 -1.796 5.987 -1.926 424 HB VAL 136 HB VAL 136 -0.761 3.774 -0.153 425 HG11 VAL 136 1HG1 VAL 136 -3.040 3.221 -0.632 426 HG12 VAL 136 2HG1 VAL 136 -2.074 2.341 -1.817 427 HG13 VAL 136 3HG1 VAL 136 -2.905 3.821 -2.287 428 HG21 VAL 136 3HG2 VAL 136 0.018 2.924 -2.426 429 HG22 VAL 136 1HG2 VAL 136 0.866 4.336 -1.794 430 HG23 VAL 136 2HG2 VAL 136 -0.361 4.530 -3.046 431 H ASN 137 H ASN 137 -3.847 6.649 -1.359 432 HA ASN 137 HA ASN 137 -4.583 6.610 1.489 433 HB2 ASN 137 2HB ASN 137 -4.901 8.657 -0.020 434 HB3 ASN 137 1HB ASN 137 -6.201 7.758 -0.794 435 HD21 ASN 137 1HD2 ASN 137 -7.880 9.174 0.021 436 HD22 ASN 137 2HD2 ASN 137 -8.300 9.202 1.665 437 H TYR 138 H TYR 138 -6.962 6.001 1.923 438 HA TYR 138 HA TYR 138 -7.358 3.321 1.445 439 HB2 TYR 138 2HB TYR 138 -8.567 4.611 3.159 440 HB3 TYR 138 1HB TYR 138 -9.504 5.390 1.889 441 HD1 TYR 138 1HD TYR 138 -8.591 1.991 3.172 442 HD2 TYR 138 2HD TYR 138 -11.493 4.420 1.141 443 HE1 TYR 138 1HE TYR 138 -10.174 0.089 3.152 444 HE2 TYR 138 2HE TYR 138 -13.077 2.516 1.125 445 HH TYR 138 HH TYR 138 -13.478 0.446 2.383 446 H GLU 139 H GLU 139 -8.885 6.043 -0.345 447 HA GLU 139 HA GLU 139 -10.379 4.489 -2.129 448 HB2 GLU 139 2HB GLU 139 -10.494 6.995 -1.803 449 HB3 GLU 139 1HB GLU 139 -9.050 7.111 -2.805 450 HG2 GLU 139 2HG GLU 139 -10.890 7.424 -4.289 451 HG3 GLU 139 1HG GLU 139 -10.321 5.779 -4.568 452 H GLU 140 H GLU 140 -7.055 5.647 -2.463 453 HA GLU 140 HA GLU 140 -6.708 4.491 -5.033 454 HB2 GLU 140 2HB GLU 140 -4.618 5.263 -2.977 455 HB3 GLU 140 1HB GLU 140 -4.297 4.889 -4.658 456 HG2 GLU 140 2HG GLU 140 -5.258 6.832 -5.436 457 HG3 GLU 140 1HG GLU 140 -6.345 6.951 -4.069 458 H PHE 141 H PHE 141 -6.118 3.341 -1.734 459 HA PHE 141 HA PHE 141 -4.780 0.949 -2.451 460 HB2 PHE 141 2HB PHE 141 -4.885 1.874 -0.134 461 HB3 PHE 141 1HB PHE 141 -6.586 1.428 -0.069 462 HD1 PHE 141 2HD PHE 141 -3.220 -0.052 -0.826 463 HD2 PHE 141 1HD PHE 141 -7.174 -0.689 0.738 464 HE1 PHE 141 2HE PHE 141 -2.587 -2.350 -0.158 465 HE2 PHE 141 1HE PHE 141 -6.536 -2.993 1.401 466 HZ PHE 141 HZ PHE 141 -4.242 -3.822 0.953 467 H VAL 142 H VAL 142 -8.208 1.613 -1.733 468 HA VAL 142 HA VAL 142 -9.176 -0.954 -2.323 469 HB VAL 142 HB VAL 142 -10.473 1.769 -2.552 470 HG11 VAL 142 1HG1 VAL 142 -12.628 0.375 -2.490 471 HG12 VAL 142 2HG1 VAL 142 -11.619 -0.994 -2.961 472 HG13 VAL 142 3HG1 VAL 142 -11.750 0.412 -4.020 473 HG21 VAL 142 3HG2 VAL 142 -10.000 1.259 -0.269 474 HG22 VAL 142 1HG2 VAL 142 -10.474 -0.427 -0.474 475 HG23 VAL 142 2HG2 VAL 142 -11.697 0.841 -0.492 476 H LYS 143 H LYS 143 -8.835 1.910 -4.378 477 HA LYS 143 HA LYS 143 -9.802 0.759 -6.769 478 HB2 LYS 143 2HB LYS 143 -9.413 3.198 -6.281 479 HB3 LYS 143 1HB LYS 143 -7.701 2.904 -6.483 480 HG2 LYS 143 2HG LYS 143 -8.260 3.542 -8.652 481 HG3 LYS 143 1HG LYS 143 -8.478 1.797 -8.770 482 HD2 LYS 143 2HD LYS 143 -10.509 2.511 -9.631 483 HD3 LYS 143 1HD LYS 143 -10.931 2.387 -7.924 484 HE2 LYS 143 2HE LYS 143 -11.714 4.530 -8.664 485 HE3 LYS 143 1HE LYS 143 -10.274 4.827 -7.691 486 HZ1 LYS 143 3HZ LYS 143 -9.705 6.033 -9.490 487 HZ2 LYS 143 1HZ LYS 143 -10.678 5.142 -10.554 488 HZ3 LYS 143 2HZ LYS 143 -9.169 4.531 -10.073 489 H MET 144 H MET 144 -6.494 1.137 -5.503 490 HA MET 144 HA MET 144 -5.181 -0.216 -7.629 491 HB2 MET 144 2HB MET 144 -4.086 1.177 -5.812 492 HB3 MET 144 1HB MET 144 -4.304 -0.159 -4.728 493 HG2 MET 144 2HG MET 144 -2.927 -1.607 -6.148 494 HG3 MET 144 1HG MET 144 -2.742 -0.303 -7.322 495 HE1 MET 144 3HE MET 144 -2.484 -1.461 -3.848 496 HE2 MET 144 1HE MET 144 -2.494 0.176 -3.176 497 HE3 MET 144 2HE MET 144 -1.013 -0.780 -3.157 498 H MET 145 H MET 145 -6.569 -1.269 -4.570 499 HA MET 145 HA MET 145 -5.669 -3.925 -4.716 500 HB2 MET 145 2HB MET 145 -6.546 -2.926 -2.630 501 HB3 MET 145 1HB MET 145 -8.156 -2.876 -3.345 502 HG2 MET 145 2HG MET 145 -7.952 -4.862 -1.929 503 HG3 MET 145 1HG MET 145 -8.090 -5.356 -3.612 504 HE1 MET 145 3HE MET 145 -4.659 -5.840 -0.702 505 HE2 MET 145 1HE MET 145 -6.348 -6.326 -0.487 506 HE3 MET 145 2HE MET 145 -5.930 -4.621 -0.639 507 H MET 146 H MET 146 -8.582 -2.307 -5.913 508 HA MET 146 HA MET 146 -9.948 -4.621 -6.780 509 HB2 MET 146 2HB MET 146 -10.041 -1.715 -7.565 510 HB3 MET 146 1HB MET 146 -11.004 -2.914 -8.429 511 HG2 MET 146 2HG MET 146 -12.125 -3.576 -6.382 512 HG3 MET 146 1HG MET 146 -11.073 -2.543 -5.421 513 HE1 MET 146 3HE MET 146 -14.473 -1.457 -8.231 514 HE2 MET 146 1HE MET 146 -13.583 -2.975 -8.061 515 HE3 MET 146 2HE MET 146 -12.895 -1.646 -8.990 516 H THR 147 H THR 147 -7.511 -2.565 -8.301 517 HA THR 147 HA THR 147 -7.646 -3.611 -10.899 518 HB THR 147 HB THR 147 -5.259 -2.515 -9.376 519 HG1 THR 147 1HG THR 147 -7.301 -1.425 -10.969 520 HG21 THR 147 3HG2 THR 147 -5.678 -3.099 -12.316 521 HG22 THR 147 1HG2 THR 147 -4.430 -3.761 -11.260 522 HG23 THR 147 2HG2 THR 147 -4.396 -2.054 -11.704 523 H VAL 148 H VAL 148 -4.991 -4.336 -8.637 524 HA VAL 148 HA VAL 148 -4.254 -6.736 -9.939 525 HB VAL 148 HB VAL 148 -2.826 -7.122 -8.001 526 HG11 VAL 148 1HG1 VAL 148 -2.196 -5.338 -9.637 527 HG12 VAL 148 2HG1 VAL 148 -1.585 -5.017 -8.014 528 HG13 VAL 148 3HG1 VAL 148 -3.003 -4.152 -8.610 529 HG21 VAL 148 3HG2 VAL 148 -4.605 -5.022 -6.744 530 HG22 VAL 148 1HG2 VAL 148 -3.018 -5.423 -6.090 531 HG23 VAL 148 2HG2 VAL 148 -4.278 -6.655 -6.162 532 H ARG 149 H ARG 149 -6.334 -6.109 -7.133 533 HA ARG 149 HA ARG 149 -7.331 -8.879 -7.410 534 HB2 ARG 149 2HB ARG 149 -6.670 -7.386 -4.865 535 HB3 ARG 149 1HB ARG 149 -7.665 -8.840 -4.902 536 HG2 ARG 149 2HG ARG 149 -5.088 -9.024 -6.373 537 HG3 ARG 149 1HG ARG 149 -4.954 -8.888 -4.621 538 HD2 ARG 149 2HD ARG 149 -5.088 -11.242 -5.269 539 HD3 ARG 149 1HD ARG 149 -6.527 -10.783 -4.366 540 HE ARG 149 HE ARG 149 -6.831 -10.522 -7.228 541 HH11 ARG 149 1HH2 ARG 149 -6.960 -12.595 -4.480 542 HH12 ARG 149 2HH2 ARG 149 -8.084 -13.708 -5.187 543 HH21 ARG 149 1HH1 ARG 149 -8.313 -11.969 -8.181 544 HH22 ARG 149 2HH1 ARG 149 -8.852 -13.353 -7.289 Start of MODEL 8 1 H1 ASP 80 1HT ASP 80 -18.421 -6.531 4.012 2 H2 ASP 80 2HT ASP 80 -18.686 -6.774 5.673 3 H3 ASP 80 3HT ASP 80 -19.518 -7.715 4.530 4 HA ASP 80 HA ASP 80 -17.275 -8.470 5.801 5 HB2 ASP 80 2HB ASP 80 -17.132 -10.156 3.876 6 HB3 ASP 80 1HB ASP 80 -18.671 -10.054 4.725 7 H ALA 81 H ALA 81 -16.920 -8.330 2.300 8 HA ALA 81 HA ALA 81 -14.203 -7.992 2.234 9 HB1 ALA 81 1HB ALA 81 -15.511 -8.410 0.210 10 HB2 ALA 81 2HB ALA 81 -14.490 -6.990 -0.012 11 HB3 ALA 81 3HB ALA 81 -16.214 -6.796 0.309 12 H GLU 82 H GLU 82 -16.671 -5.425 2.390 13 HA GLU 82 HA GLU 82 -14.826 -3.287 2.352 14 HB2 GLU 82 2HB GLU 82 -17.441 -3.317 2.046 15 HB3 GLU 82 1HB GLU 82 -17.460 -3.075 3.793 16 HG2 GLU 82 2HG GLU 82 -15.976 -1.350 1.796 17 HG3 GLU 82 1HG GLU 82 -17.490 -0.919 2.589 18 H GLU 83 H GLU 83 -16.235 -5.182 4.969 19 HA GLU 83 HA GLU 83 -15.214 -3.592 7.098 20 HB2 GLU 83 2HB GLU 83 -16.992 -5.312 7.396 21 HB3 GLU 83 1HB GLU 83 -15.783 -6.567 7.123 22 HG2 GLU 83 2HG GLU 83 -14.500 -5.793 9.059 23 HG3 GLU 83 1HG GLU 83 -15.641 -4.473 9.312 24 H GLU 84 H GLU 84 -14.098 -6.858 6.190 25 HA GLU 84 HA GLU 84 -11.669 -6.863 7.418 26 HB2 GLU 84 2HB GLU 84 -12.284 -7.961 4.663 27 HB3 GLU 84 1HB GLU 84 -10.877 -8.396 5.634 28 HG2 GLU 84 2HG GLU 84 -13.747 -8.746 6.539 29 HG3 GLU 84 1HG GLU 84 -12.759 -10.033 5.853 30 H LEU 85 H LEU 85 -12.485 -5.194 4.400 31 HA LEU 85 HA LEU 85 -9.860 -4.544 3.641 32 HB2 LEU 85 2HB LEU 85 -11.737 -4.264 2.103 33 HB3 LEU 85 1HB LEU 85 -12.437 -3.022 3.140 34 HG LEU 85 HG LEU 85 -10.452 -1.596 2.779 35 HD11 LEU 85 1HD1 LEU 85 -8.935 -2.480 0.790 36 HD12 LEU 85 2HD1 LEU 85 -9.484 -4.059 1.352 37 HD13 LEU 85 3HD1 LEU 85 -8.618 -2.986 2.449 38 HD21 LEU 85 3HD2 LEU 85 -12.426 -1.601 1.164 39 HD22 LEU 85 1HD2 LEU 85 -11.430 -2.586 0.093 40 HD23 LEU 85 2HD2 LEU 85 -10.914 -0.957 0.527 41 H LYS 86 H LYS 86 -12.199 -2.807 5.690 42 HA LYS 86 HA LYS 86 -10.580 -0.538 6.140 43 HB2 LYS 86 2HB LYS 86 -12.785 -1.793 7.774 44 HB3 LYS 86 1HB LYS 86 -11.990 -0.283 8.224 45 HG2 LYS 86 2HG LYS 86 -12.645 0.730 6.090 46 HG3 LYS 86 1HG LYS 86 -13.371 -0.788 5.570 47 HD2 LYS 86 2HD LYS 86 -15.212 0.465 6.375 48 HD3 LYS 86 1HD LYS 86 -14.819 -0.619 7.708 49 HE2 LYS 86 2HE LYS 86 -13.682 1.120 8.906 50 HE3 LYS 86 1HE LYS 86 -13.700 2.192 7.508 51 HZ1 LYS 86 3HZ LYS 86 -16.301 1.265 8.290 52 HZ2 LYS 86 1HZ LYS 86 -15.765 2.837 7.946 53 HZ3 LYS 86 2HZ LYS 86 -15.521 2.177 9.493 54 H GLU 87 H GLU 87 -10.839 -3.645 7.837 55 HA GLU 87 HA GLU 87 -9.061 -2.949 9.955 56 HB2 GLU 87 2HB GLU 87 -10.664 -4.851 10.047 57 HB3 GLU 87 1HB GLU 87 -9.679 -5.700 8.856 58 HG2 GLU 87 2HG GLU 87 -7.761 -5.669 10.355 59 HG3 GLU 87 1HG GLU 87 -8.655 -4.704 11.528 60 H ALA 88 H ALA 88 -8.599 -4.818 6.956 61 HA ALA 88 HA ALA 88 -5.882 -5.347 7.211 62 HB1 ALA 88 1HB ALA 88 -6.990 -4.567 4.526 63 HB2 ALA 88 2HB ALA 88 -7.603 -6.009 5.335 64 HB3 ALA 88 3HB ALA 88 -5.890 -5.881 4.944 65 H PHE 89 H PHE 89 -7.477 -2.466 5.846 66 HA PHE 89 HA PHE 89 -5.205 -1.060 5.059 67 HB2 PHE 89 2HB PHE 89 -7.526 -0.353 4.554 68 HB3 PHE 89 1HB PHE 89 -7.736 0.088 6.251 69 HD1 PHE 89 1HD PHE 89 -6.572 2.019 7.210 70 HD2 PHE 89 2HD PHE 89 -6.055 0.946 3.086 71 HE1 PHE 89 1HE PHE 89 -5.525 4.223 6.765 72 HE2 PHE 89 2HE PHE 89 -5.022 3.147 2.638 73 HZ PHE 89 HZ PHE 89 -4.747 4.785 4.478 74 H LYS 90 H LYS 90 -6.840 -1.151 8.217 75 HA LYS 90 HA LYS 90 -5.174 0.703 9.521 76 HB2 LYS 90 2HB LYS 90 -6.694 -1.674 10.619 77 HB3 LYS 90 1HB LYS 90 -5.943 -0.430 11.616 78 HG2 LYS 90 2HG LYS 90 -7.844 0.387 9.423 79 HG3 LYS 90 1HG LYS 90 -8.490 -0.206 10.952 80 HD2 LYS 90 2HD LYS 90 -7.155 1.506 12.159 81 HD3 LYS 90 1HD LYS 90 -6.574 2.126 10.615 82 HE2 LYS 90 2HE LYS 90 -8.453 3.473 11.381 83 HE3 LYS 90 1HE LYS 90 -8.918 2.573 9.937 84 HZ1 LYS 90 3HZ LYS 90 -9.948 0.908 11.353 85 HZ2 LYS 90 1HZ LYS 90 -10.619 2.437 11.643 86 HZ3 LYS 90 2HZ LYS 90 -9.501 1.781 12.741 87 H VAL 91 H VAL 91 -4.736 -2.712 8.822 88 HA VAL 91 HA VAL 91 -2.526 -3.092 10.594 89 HB VAL 91 HB VAL 91 -3.356 -4.620 8.119 90 HG11 VAL 91 1HG1 VAL 91 -1.035 -5.079 8.482 91 HG12 VAL 91 2HG1 VAL 91 -1.921 -6.421 9.204 92 HG13 VAL 91 3HG1 VAL 91 -1.257 -5.150 10.231 93 HG21 VAL 91 3HG2 VAL 91 -4.380 -6.146 9.675 94 HG22 VAL 91 1HG2 VAL 91 -4.931 -4.527 10.109 95 HG23 VAL 91 2HG2 VAL 91 -3.662 -5.309 11.052 96 H PHE 92 H PHE 92 -2.737 -2.420 7.106 97 HA PHE 92 HA PHE 92 0.071 -2.309 6.657 98 HB2 PHE 92 2HB PHE 92 -1.918 -0.665 5.093 99 HB3 PHE 92 1HB PHE 92 -0.412 -1.390 4.534 100 HD1 PHE 92 2HD PHE 92 -0.690 -4.147 5.733 101 HD2 PHE 92 1HD PHE 92 -3.513 -1.661 3.659 102 HE1 PHE 92 2HE PHE 92 -1.936 -6.149 5.044 103 HE2 PHE 92 1HE PHE 92 -4.773 -3.678 2.977 104 HZ PHE 92 HZ PHE 92 -3.973 -5.929 3.658 105 H ASP 93 H ASP 93 -2.248 0.054 7.788 106 HA ASP 93 HA ASP 93 -0.505 2.295 7.507 107 HB2 ASP 93 2HB ASP 93 -3.059 2.313 7.748 108 HB3 ASP 93 1HB ASP 93 -2.782 2.085 9.474 109 H LYS 94 H LYS 94 1.316 0.832 8.511 110 HA LYS 94 HA LYS 94 1.462 0.245 11.218 111 HB2 LYS 94 2HB LYS 94 3.189 -0.236 9.376 112 HB3 LYS 94 1HB LYS 94 3.812 1.380 9.702 113 HG2 LYS 94 2HG LYS 94 4.240 0.804 12.025 114 HG3 LYS 94 1HG LYS 94 3.478 -0.772 11.813 115 HD2 LYS 94 2HD LYS 94 5.201 -1.351 10.117 116 HD3 LYS 94 1HD LYS 94 5.989 0.197 10.420 117 HE2 LYS 94 2HE LYS 94 5.522 -1.968 12.492 118 HE3 LYS 94 1HE LYS 94 7.064 -1.618 11.709 119 HZ1 LYS 94 3HZ LYS 94 5.652 -0.138 13.777 120 HZ2 LYS 94 1HZ LYS 94 6.421 0.795 12.589 121 HZ3 LYS 94 2HZ LYS 94 7.321 -0.314 13.510 122 H ASP 95 H ASP 95 2.361 3.313 9.618 123 HA ASP 95 HA ASP 95 3.046 4.661 12.014 124 HB2 ASP 95 2HB ASP 95 1.998 6.018 9.532 125 HB3 ASP 95 1HB ASP 95 3.172 6.619 10.695 126 H GLN 96 H GLN 96 0.102 3.569 10.877 127 HA GLN 96 HA GLN 96 -2.097 4.052 11.384 128 HB2 GLN 96 2HB GLN 96 -0.693 4.989 13.898 129 HB3 GLN 96 1HB GLN 96 -2.444 4.850 13.756 130 HG2 GLN 96 2HG GLN 96 -2.253 2.462 13.290 131 HG3 GLN 96 1HG GLN 96 -0.496 2.571 13.306 132 HE21 GLN 96 1HE2 GLN 96 -2.418 1.058 15.149 133 HE22 GLN 96 2HE2 GLN 96 -1.988 1.569 16.708 134 H ASN 97 H ASN 97 -0.723 6.064 9.839 135 HA ASN 97 HA ASN 97 -1.687 8.621 10.941 136 HB2 ASN 97 2HB ASN 97 -0.433 9.655 9.132 137 HB3 ASN 97 1HB ASN 97 0.595 8.520 10.007 138 HD21 ASN 97 1HD2 ASN 97 1.016 9.331 7.221 139 HD22 ASN 97 2HD2 ASN 97 0.847 7.934 6.273 140 H GLY 98 H GLY 98 -3.148 6.210 9.361 141 HA2 GLY 98 2HA GLY 98 -5.225 6.229 8.318 142 HA3 GLY 98 1HA GLY 98 -5.122 7.981 8.197 143 H TYR 99 H TYR 99 -2.254 7.171 7.031 144 HA TYR 99 HA TYR 99 -3.201 6.650 4.260 145 HB2 TYR 99 2HB TYR 99 -1.228 8.704 5.266 146 HB3 TYR 99 1HB TYR 99 -1.256 8.171 3.584 147 HD1 TYR 99 1HD TYR 99 -3.534 9.440 6.279 148 HD2 TYR 99 2HD TYR 99 -2.705 9.215 2.074 149 HE1 TYR 99 1HE TYR 99 -5.433 10.959 5.824 150 HE2 TYR 99 2HE TYR 99 -4.605 10.736 1.619 151 HH TYR 99 HH TYR 99 -6.726 11.419 2.729 152 H ILE 100 H ILE 100 -2.044 5.090 3.158 153 HA ILE 100 HA ILE 100 0.045 3.692 4.644 154 HB ILE 100 HB ILE 100 -0.867 3.116 1.822 155 HG12 ILE 100 2HG1 ILE 100 -1.995 1.984 4.412 156 HG13 ILE 100 1HG1 ILE 100 -2.807 3.167 3.391 157 HG21 ILE 100 1HG2 ILE 100 1.234 2.065 2.629 158 HG22 ILE 100 2HG2 ILE 100 -0.033 0.873 2.347 159 HG23 ILE 100 3HG2 ILE 100 0.347 1.382 3.994 160 HD11 ILE 100 3HD1 ILE 100 -3.595 0.876 2.894 161 HD12 ILE 100 1HD1 ILE 100 -1.942 0.396 2.515 162 HD13 ILE 100 2HD1 ILE 100 -2.767 1.582 1.505 163 H SER 101 H SER 101 2.168 3.986 4.386 164 HA SER 101 HA SER 101 3.075 5.945 2.364 165 HB2 SER 101 2HB SER 101 3.850 6.438 4.566 166 HB3 SER 101 1HB SER 101 4.367 4.776 4.833 167 HG SER 101 HG SER 101 6.064 5.083 3.524 168 H ALA 102 H ALA 102 5.077 5.514 1.153 169 HA ALA 102 HA ALA 102 4.979 3.106 -0.271 170 HB1 ALA 102 1HB ALA 102 7.278 3.730 -1.074 171 HB2 ALA 102 2HB ALA 102 7.247 5.076 0.066 172 HB3 ALA 102 3HB ALA 102 6.075 5.008 -1.250 173 H SER 103 H SER 103 7.066 4.071 2.451 174 HA SER 103 HA SER 103 8.662 1.787 2.560 175 HB2 SER 103 2HB SER 103 7.699 3.538 4.822 176 HB3 SER 103 1HB SER 103 8.989 2.347 4.956 177 HG SER 103 HG SER 103 10.101 4.091 4.401 178 H GLU 104 H GLU 104 5.422 2.361 3.919 179 HA GLU 104 HA GLU 104 5.314 -0.116 5.294 180 HB2 GLU 104 2HB GLU 104 3.201 1.857 4.425 181 HB3 GLU 104 1HB GLU 104 2.848 0.421 5.347 182 HG2 GLU 104 2HG GLU 104 4.474 1.167 7.081 183 HG3 GLU 104 1HG GLU 104 4.683 2.659 6.180 184 H LEU 105 H LEU 105 4.377 0.975 2.056 185 HA LEU 105 HA LEU 105 2.828 -1.247 1.309 186 HB2 LEU 105 2HB LEU 105 3.374 1.055 0.085 187 HB3 LEU 105 1HB LEU 105 4.613 0.092 -0.706 188 HG LEU 105 HG LEU 105 2.630 0.027 -2.086 189 HD11 LEU 105 1HD1 LEU 105 3.967 -2.136 -1.594 190 HD12 LEU 105 2HD1 LEU 105 2.392 -2.296 -2.367 191 HD13 LEU 105 3HD1 LEU 105 2.559 -2.617 -0.644 192 HD21 LEU 105 3HD2 LEU 105 1.151 0.435 0.141 193 HD22 LEU 105 1HD2 LEU 105 0.931 -1.310 -0.010 194 HD23 LEU 105 2HD2 LEU 105 0.470 -0.245 -1.332 195 H ARG 106 H ARG 106 6.318 -0.674 1.063 196 HA ARG 106 HA ARG 106 6.852 -3.192 -0.203 197 HB2 ARG 106 2HB ARG 106 9.227 -2.691 0.296 198 HB3 ARG 106 1HB ARG 106 8.402 -1.339 -0.486 199 HG2 ARG 106 2HG ARG 106 8.062 -0.263 1.662 200 HG3 ARG 106 1HG ARG 106 8.826 -1.610 2.500 201 HD2 ARG 106 2HD ARG 106 10.178 0.152 0.447 202 HD3 ARG 106 1HD ARG 106 10.381 0.286 2.191 203 HE ARG 106 HE ARG 106 11.538 -1.745 0.475 204 HH11 ARG 106 1HH2 ARG 106 10.533 -0.817 3.646 205 HH12 ARG 106 2HH2 ARG 106 11.625 -1.885 4.463 206 HH21 ARG 106 1HH1 ARG 106 12.983 -3.155 1.533 207 HH22 ARG 106 2HH1 ARG 106 13.015 -3.210 3.263 208 H HIS 107 H HIS 107 6.895 -2.013 3.136 209 HA HIS 107 HA HIS 107 8.043 -4.264 4.352 210 HB2 HIS 107 2HB HIS 107 7.548 -2.085 5.494 211 HB3 HIS 107 1HB HIS 107 5.842 -2.534 5.506 212 HD1 HIS 107 1HD HIS 107 5.100 -4.395 7.127 213 HD2 HIS 107 2HD HIS 107 9.198 -3.638 7.252 214 HE1 HIS 107 1HE HIS 107 5.994 -5.625 9.154 215 HE2 HIS 107 2HE HIS 107 8.492 -5.173 9.243 216 H VAL 108 H VAL 108 4.679 -3.573 3.472 217 HA VAL 108 HA VAL 108 3.594 -5.953 4.569 218 HB VAL 108 HB VAL 108 2.605 -4.167 2.333 219 HG11 VAL 108 1HG1 VAL 108 0.391 -5.292 2.875 220 HG12 VAL 108 2HG1 VAL 108 1.312 -6.495 3.777 221 HG13 VAL 108 3HG1 VAL 108 1.559 -6.316 2.039 222 HG21 VAL 108 3HG2 VAL 108 2.849 -3.278 4.729 223 HG22 VAL 108 1HG2 VAL 108 1.596 -4.435 5.174 224 HG23 VAL 108 2HG2 VAL 108 1.244 -3.154 4.014 225 H MET 109 H MET 109 4.820 -5.122 1.331 226 HA MET 109 HA MET 109 4.153 -7.551 0.074 227 HB2 MET 109 2HB MET 109 6.316 -5.509 -0.437 228 HB3 MET 109 1HB MET 109 6.122 -6.937 -1.454 229 HG2 MET 109 2HG MET 109 3.882 -4.983 -0.873 230 HG3 MET 109 1HG MET 109 4.912 -4.886 -2.299 231 HE1 MET 109 3HE MET 109 2.539 -5.127 -3.859 232 HE2 MET 109 1HE MET 109 1.945 -4.934 -2.203 233 HE3 MET 109 2HE MET 109 1.289 -6.201 -3.237 234 H ILE 110 H ILE 110 7.026 -6.586 1.932 235 HA ILE 110 HA ILE 110 8.492 -8.977 1.470 236 HB ILE 110 HB ILE 110 8.622 -6.960 3.722 237 HG12 ILE 110 2HG1 ILE 110 10.512 -7.434 1.403 238 HG13 ILE 110 1HG1 ILE 110 9.188 -6.270 1.331 239 HG21 ILE 110 1HG2 ILE 110 9.578 -8.953 4.613 240 HG22 ILE 110 2HG2 ILE 110 10.949 -8.025 4.010 241 HG23 ILE 110 3HG2 ILE 110 10.320 -9.378 3.070 242 HD11 ILE 110 3HD1 ILE 110 11.311 -6.252 3.489 243 HD12 ILE 110 1HD1 ILE 110 10.095 -5.013 3.177 244 HD13 ILE 110 2HD1 ILE 110 11.404 -5.276 2.024 245 H ASN 111 H ASN 111 6.277 -7.962 4.057 246 HA ASN 111 HA ASN 111 6.521 -10.263 5.660 247 HB2 ASN 111 2HB ASN 111 5.444 -8.301 6.538 248 HB3 ASN 111 1HB ASN 111 4.201 -8.353 5.297 249 HD21 ASN 111 1HD2 ASN 111 2.510 -8.586 6.981 250 HD22 ASN 111 2HD2 ASN 111 2.309 -10.057 7.806 251 H LEU 112 H LEU 112 4.692 -9.609 2.756 252 HA LEU 112 HA LEU 112 3.159 -12.062 2.962 253 HB2 LEU 112 2HB LEU 112 3.258 -9.738 1.108 254 HB3 LEU 112 1HB LEU 112 2.743 -11.264 0.403 255 HG LEU 112 HG LEU 112 1.049 -11.469 2.261 256 HD11 LEU 112 1HD1 LEU 112 0.578 -9.585 3.666 257 HD12 LEU 112 2HD1 LEU 112 1.703 -8.564 2.778 258 HD13 LEU 112 3HD1 LEU 112 2.313 -9.875 3.785 259 HD21 LEU 112 3HD2 LEU 112 0.874 -8.970 0.555 260 HD22 LEU 112 1HD2 LEU 112 -0.487 -9.806 1.302 261 HD23 LEU 112 2HD2 LEU 112 0.446 -10.600 0.033 262 H GLY 113 H GLY 113 6.285 -11.445 2.229 263 HA2 GLY 113 2HA GLY 113 7.888 -12.983 1.485 264 HA3 GLY 113 1HA GLY 113 6.587 -14.015 0.896 265 H GLU 114 H GLU 114 6.468 -10.684 0.024 266 HA GLU 114 HA GLU 114 7.368 -11.341 -2.734 267 HB2 GLU 114 2HB GLU 114 5.271 -9.379 -1.760 268 HB3 GLU 114 1HB GLU 114 5.846 -9.472 -3.425 269 HG2 GLU 114 2HG GLU 114 5.073 -11.780 -3.605 270 HG3 GLU 114 1HG GLU 114 4.590 -11.779 -1.909 271 H LYS 115 H LYS 115 9.053 -10.179 -3.508 272 HA LYS 115 HA LYS 115 9.799 -7.657 -2.117 273 HB2 LYS 115 2HB LYS 115 12.202 -8.395 -2.809 274 HB3 LYS 115 1HB LYS 115 11.465 -9.117 -1.380 275 HG2 LYS 115 2HG LYS 115 10.846 -11.104 -2.590 276 HG3 LYS 115 1HG LYS 115 11.290 -10.376 -4.128 277 HD2 LYS 115 2HD LYS 115 13.159 -11.712 -3.655 278 HD3 LYS 115 1HD LYS 115 13.674 -10.136 -3.058 279 HE2 LYS 115 2HE LYS 115 14.164 -11.892 -1.405 280 HE3 LYS 115 1HE LYS 115 12.953 -10.776 -0.776 281 HZ1 LYS 115 3HZ LYS 115 11.587 -12.743 -2.174 282 HZ2 LYS 115 1HZ LYS 115 11.612 -12.495 -0.497 283 HZ3 LYS 115 2HZ LYS 115 12.733 -13.551 -1.214 284 H LEU 116 H LEU 116 9.312 -6.100 -3.551 285 HA LEU 116 HA LEU 116 9.985 -6.524 -6.412 286 HB2 LEU 116 2HB LEU 116 8.159 -4.423 -5.214 287 HB3 LEU 116 1HB LEU 116 8.356 -4.828 -6.917 288 HG LEU 116 HG LEU 116 7.282 -6.713 -4.799 289 HD11 LEU 116 1HD1 LEU 116 5.800 -4.753 -5.492 290 HD12 LEU 116 2HD1 LEU 116 5.120 -6.357 -5.762 291 HD13 LEU 116 3HD1 LEU 116 5.796 -5.448 -7.113 292 HD21 LEU 116 3HD2 LEU 116 8.271 -8.088 -6.436 293 HD22 LEU 116 1HD2 LEU 116 7.874 -6.981 -7.749 294 HD23 LEU 116 2HD2 LEU 116 6.609 -7.958 -7.003 295 H THR 117 H THR 117 11.048 -4.792 -7.546 296 HA THR 117 HA THR 117 13.100 -3.542 -5.993 297 HB THR 117 HB THR 117 13.811 -2.541 -8.107 298 HG1 THR 117 1HG THR 117 11.411 -3.615 -9.161 299 HG21 THR 117 3HG2 THR 117 13.955 -4.633 -9.482 300 HG22 THR 117 1HG2 THR 117 12.822 -5.393 -8.364 301 HG23 THR 117 2HG2 THR 117 14.407 -4.872 -7.794 302 H ASP 118 H ASP 118 13.494 -1.124 -6.073 303 HA ASP 118 HA ASP 118 11.276 0.240 -4.974 304 HB2 ASP 118 2HB ASP 118 14.013 1.057 -5.891 305 HB3 ASP 118 1HB ASP 118 12.836 2.316 -5.524 306 H GLU 119 H GLU 119 12.629 0.174 -8.239 307 HA GLU 119 HA GLU 119 11.164 2.291 -9.337 308 HB2 GLU 119 2HB GLU 119 12.145 -0.284 -10.588 309 HB3 GLU 119 1HB GLU 119 11.442 1.046 -11.510 310 HG2 GLU 119 2HG GLU 119 13.172 2.568 -10.742 311 HG3 GLU 119 1HG GLU 119 13.831 1.336 -9.670 312 H GLU 120 H GLU 120 10.246 -1.077 -8.737 313 HA GLU 120 HA GLU 120 7.746 -0.882 -10.137 314 HB2 GLU 120 2HB GLU 120 8.744 -2.832 -8.049 315 HB3 GLU 120 1HB GLU 120 7.218 -3.008 -8.918 316 HG2 GLU 120 2HG GLU 120 9.933 -2.794 -10.248 317 HG3 GLU 120 1HG GLU 120 9.094 -4.312 -9.948 318 H VAL 121 H VAL 121 8.688 -0.753 -6.697 319 HA VAL 121 HA VAL 121 6.080 -0.318 -5.701 320 HB VAL 121 HB VAL 121 8.775 0.479 -4.570 321 HG11 VAL 121 1HG1 VAL 121 7.170 1.869 -3.480 322 HG12 VAL 121 2HG1 VAL 121 7.418 0.503 -2.393 323 HG13 VAL 121 3HG1 VAL 121 5.981 0.569 -3.411 324 HG21 VAL 121 3HG2 VAL 121 6.910 -1.867 -4.096 325 HG22 VAL 121 1HG2 VAL 121 8.324 -1.514 -3.105 326 HG23 VAL 121 2HG2 VAL 121 8.522 -1.928 -4.808 327 H GLU 122 H GLU 122 8.680 1.976 -6.549 328 HA GLU 122 HA GLU 122 7.302 4.330 -5.898 329 HB2 GLU 122 2HB GLU 122 9.721 4.227 -6.449 330 HB3 GLU 122 1HB GLU 122 9.302 3.948 -8.138 331 HG2 GLU 122 2HG GLU 122 8.108 6.105 -8.204 332 HG3 GLU 122 1HG GLU 122 8.506 6.380 -6.508 333 H GLN 123 H GLN 123 7.234 2.332 -8.808 334 HA GLN 123 HA GLN 123 5.666 4.153 -10.358 335 HB2 GLN 123 2HB GLN 123 7.011 2.334 -11.370 336 HB3 GLN 123 1HB GLN 123 5.923 1.147 -10.646 337 HG2 GLN 123 2HG GLN 123 4.041 2.021 -11.912 338 HG3 GLN 123 1HG GLN 123 5.028 3.341 -12.540 339 HE21 GLN 123 1HE2 GLN 123 4.454 2.430 -14.745 340 HE22 GLN 123 2HE2 GLN 123 5.345 1.111 -15.333 341 H MET 124 H MET 124 4.865 1.409 -8.233 342 HA MET 124 HA MET 124 2.115 1.336 -8.811 343 HB2 MET 124 2HB MET 124 3.340 -0.471 -7.647 344 HB3 MET 124 1HB MET 124 3.544 0.582 -6.247 345 HG2 MET 124 2HG MET 124 1.110 0.748 -6.004 346 HG3 MET 124 1HG MET 124 0.891 -0.267 -7.424 347 HE1 MET 124 3HE MET 124 2.318 -2.654 -7.562 348 HE2 MET 124 1HE MET 124 0.560 -2.619 -7.372 349 HE3 MET 124 2HE MET 124 1.530 -3.754 -6.437 350 H ILE 125 H ILE 125 3.967 3.088 -6.332 351 HA ILE 125 HA ILE 125 1.735 4.237 -5.025 352 HB ILE 125 HB ILE 125 4.540 5.345 -5.304 353 HG12 ILE 125 2HG1 ILE 125 4.202 2.930 -4.368 354 HG13 ILE 125 1HG1 ILE 125 5.189 4.051 -3.443 355 HG21 ILE 125 1HG2 ILE 125 3.875 6.292 -2.978 356 HG22 ILE 125 2HG2 ILE 125 2.218 5.985 -3.496 357 HG23 ILE 125 3HG2 ILE 125 3.241 7.087 -4.419 358 HD11 ILE 125 3HD1 ILE 125 3.357 4.487 -1.915 359 HD12 ILE 125 1HD1 ILE 125 3.530 2.743 -2.070 360 HD13 ILE 125 2HD1 ILE 125 2.243 3.576 -2.927 361 H LYS 126 H LYS 126 3.844 5.438 -7.574 362 HA LYS 126 HA LYS 126 2.491 7.899 -7.963 363 HB2 LYS 126 2HB LYS 126 4.211 6.301 -9.830 364 HB3 LYS 126 1HB LYS 126 3.686 7.951 -10.134 365 HG2 LYS 126 2HG LYS 126 5.152 7.174 -7.612 366 HG3 LYS 126 1HG LYS 126 6.016 7.650 -9.072 367 HD2 LYS 126 2HD LYS 126 4.516 9.769 -9.028 368 HD3 LYS 126 1HD LYS 126 4.149 9.311 -7.367 369 HE2 LYS 126 2HE LYS 126 6.935 9.726 -8.464 370 HE3 LYS 126 1HE LYS 126 6.039 10.899 -7.500 371 HZ1 LYS 126 3HZ LYS 126 5.823 9.023 -5.819 372 HZ2 LYS 126 1HZ LYS 126 7.344 9.760 -5.968 373 HZ3 LYS 126 2HZ LYS 126 7.060 8.248 -6.691 374 H GLU 127 H GLU 127 2.220 4.777 -9.573 375 HA GLU 127 HA GLU 127 0.245 5.605 -11.448 376 HB2 GLU 127 2HB GLU 127 1.736 3.566 -11.595 377 HB3 GLU 127 1HB GLU 127 0.658 2.809 -10.435 378 HG2 GLU 127 2HG GLU 127 -0.138 2.165 -12.602 379 HG3 GLU 127 1HG GLU 127 -1.256 3.390 -12.001 380 H ALA 128 H ALA 128 0.142 4.222 -8.227 381 HA ALA 128 HA ALA 128 -2.729 3.824 -8.278 382 HB1 ALA 128 1HB ALA 128 -2.512 3.158 -5.972 383 HB2 ALA 128 2HB ALA 128 -0.889 3.845 -5.882 384 HB3 ALA 128 3HB ALA 128 -1.196 2.431 -6.892 385 H ASP 129 H ASP 129 -0.544 6.347 -7.237 386 HA ASP 129 HA ASP 129 -2.493 7.754 -5.673 387 HB2 ASP 129 2HB ASP 129 0.203 8.479 -6.786 388 HB3 ASP 129 1HB ASP 129 -0.765 9.621 -5.879 389 H LEU 130 H LEU 130 -4.113 8.865 -6.445 390 HA LEU 130 HA LEU 130 -4.268 9.585 -9.225 391 HB2 LEU 130 2HB LEU 130 -6.230 8.816 -7.869 392 HB3 LEU 130 1HB LEU 130 -6.160 10.343 -6.991 393 HG LEU 130 HG LEU 130 -6.161 10.626 -9.971 394 HD11 LEU 130 1HD1 LEU 130 -8.556 9.538 -8.472 395 HD12 LEU 130 2HD1 LEU 130 -7.742 8.813 -9.858 396 HD13 LEU 130 3HD1 LEU 130 -8.657 10.308 -10.056 397 HD21 LEU 130 3HD2 LEU 130 -6.349 12.444 -8.115 398 HD22 LEU 130 1HD2 LEU 130 -8.021 11.909 -7.966 399 HD23 LEU 130 2HD2 LEU 130 -7.435 12.558 -9.496 400 H ASP 131 H ASP 131 -3.352 11.178 -6.270 401 HA ASP 131 HA ASP 131 -3.314 13.793 -7.679 402 HB2 ASP 131 2HB ASP 131 -3.471 14.849 -5.535 403 HB3 ASP 131 1HB ASP 131 -4.742 13.632 -5.629 404 H GLY 132 H GLY 132 -1.245 11.438 -7.395 405 HA2 GLY 132 2HA GLY 132 1.028 11.225 -6.926 406 HA3 GLY 132 1HA GLY 132 1.077 12.760 -7.786 407 H ASP 133 H ASP 133 -0.378 12.141 -4.586 408 HA ASP 133 HA ASP 133 1.052 14.391 -3.479 409 HB2 ASP 133 2HB ASP 133 -0.116 13.718 -1.364 410 HB3 ASP 133 1HB ASP 133 -1.208 14.001 -2.722 411 H GLY 134 H GLY 134 1.611 11.039 -3.794 412 HA2 GLY 134 2HA GLY 134 3.727 10.044 -3.372 413 HA3 GLY 134 1HA GLY 134 4.018 11.247 -2.115 414 H GLN 135 H GLN 135 0.983 10.575 -1.496 415 HA GLN 135 HA GLN 135 1.588 8.267 0.258 416 HB2 GLN 135 2HB GLN 135 0.420 10.939 0.725 417 HB3 GLN 135 1HB GLN 135 -0.546 9.639 1.393 418 HG2 GLN 135 2HG GLN 135 1.267 8.832 2.706 419 HG3 GLN 135 1HG GLN 135 2.424 9.856 1.853 420 HE21 GLN 135 1HE2 GLN 135 1.628 9.776 4.809 421 HE22 GLN 135 2HE2 GLN 135 1.187 11.376 5.165 422 H VAL 136 H VAL 136 0.303 6.532 0.089 423 HA VAL 136 HA VAL 136 -1.808 6.555 -1.907 424 HB VAL 136 HB VAL 136 -0.694 4.417 -0.084 425 HG11 VAL 136 1HG1 VAL 136 -3.010 4.340 -2.024 426 HG12 VAL 136 2HG1 VAL 136 -2.983 3.804 -0.343 427 HG13 VAL 136 3HG1 VAL 136 -2.121 2.884 -1.576 428 HG21 VAL 136 3HG2 VAL 136 0.741 5.039 -1.946 429 HG22 VAL 136 1HG2 VAL 136 -0.606 4.891 -3.074 430 HG23 VAL 136 2HG2 VAL 136 0.029 3.456 -2.266 431 H ASN 137 H ASN 137 -3.882 7.123 -1.430 432 HA ASN 137 HA ASN 137 -4.707 7.170 1.406 433 HB2 ASN 137 2HB ASN 137 -4.949 9.206 -0.124 434 HB3 ASN 137 1HB ASN 137 -6.219 8.306 -0.947 435 HD21 ASN 137 1HD2 ASN 137 -7.993 9.617 -0.212 436 HD22 ASN 137 2HD2 ASN 137 -8.444 9.707 1.423 437 H TYR 138 H TYR 138 -7.020 6.524 1.821 438 HA TYR 138 HA TYR 138 -7.446 3.847 1.280 439 HB2 TYR 138 2HB TYR 138 -8.635 5.097 3.039 440 HB3 TYR 138 1HB TYR 138 -9.571 5.938 1.802 441 HD1 TYR 138 1HD TYR 138 -8.815 2.580 3.225 442 HD2 TYR 138 2HD TYR 138 -11.452 4.912 0.767 443 HE1 TYR 138 1HE TYR 138 -10.416 0.696 3.153 444 HE2 TYR 138 2HE TYR 138 -13.057 3.025 0.696 445 HH TYR 138 HH TYR 138 -13.179 0.640 2.731 446 H GLU 139 H GLU 139 -8.786 6.646 -0.498 447 HA GLU 139 HA GLU 139 -10.431 5.209 -2.243 448 HB2 GLU 139 2HB GLU 139 -10.453 7.679 -2.003 449 HB3 GLU 139 1HB GLU 139 -8.909 7.757 -2.849 450 HG2 GLU 139 2HG GLU 139 -9.922 6.737 -4.838 451 HG3 GLU 139 1HG GLU 139 -11.462 6.588 -3.993 452 H GLU 140 H GLU 140 -7.001 6.145 -2.649 453 HA GLU 140 HA GLU 140 -6.776 4.931 -5.203 454 HB2 GLU 140 2HB GLU 140 -4.656 5.590 -3.177 455 HB3 GLU 140 1HB GLU 140 -4.363 5.151 -4.844 456 HG2 GLU 140 2HG GLU 140 -5.145 7.161 -5.682 457 HG3 GLU 140 1HG GLU 140 -6.291 7.385 -4.376 458 H PHE 141 H PHE 141 -6.198 3.815 -1.891 459 HA PHE 141 HA PHE 141 -4.976 1.363 -2.579 460 HB2 PHE 141 2HB PHE 141 -5.066 2.435 -0.279 461 HB3 PHE 141 1HB PHE 141 -6.722 1.848 -0.159 462 HD1 PHE 141 1HD PHE 141 -3.319 0.572 -1.122 463 HD2 PHE 141 2HD PHE 141 -7.051 -0.244 0.853 464 HE1 PHE 141 1HE PHE 141 -2.465 -1.647 -0.419 465 HE2 PHE 141 2HE PHE 141 -6.195 -2.462 1.548 466 HZ PHE 141 HZ PHE 141 -3.901 -3.164 0.906 467 H VAL 142 H VAL 142 -8.350 2.031 -1.604 468 HA VAL 142 HA VAL 142 -9.340 -0.535 -2.132 469 HB VAL 142 HB VAL 142 -10.538 1.319 -0.911 470 HG11 VAL 142 1HG1 VAL 142 -11.310 2.240 -3.682 471 HG12 VAL 142 2HG1 VAL 142 -10.054 2.990 -2.707 472 HG13 VAL 142 3HG1 VAL 142 -11.712 2.996 -2.137 473 HG21 VAL 142 3HG2 VAL 142 -12.159 0.130 -3.174 474 HG22 VAL 142 1HG2 VAL 142 -12.729 0.576 -1.565 475 HG23 VAL 142 2HG2 VAL 142 -11.638 -0.796 -1.766 476 H LYS 143 H LYS 143 -9.090 2.304 -4.216 477 HA LYS 143 HA LYS 143 -10.322 1.183 -6.500 478 HB2 LYS 143 2HB LYS 143 -9.871 3.598 -6.149 479 HB3 LYS 143 1HB LYS 143 -8.154 3.293 -6.340 480 HG2 LYS 143 2HG LYS 143 -8.533 2.454 -8.614 481 HG3 LYS 143 1HG LYS 143 -10.270 2.707 -8.430 482 HD2 LYS 143 2HD LYS 143 -9.898 5.120 -8.119 483 HD3 LYS 143 1HD LYS 143 -8.158 4.879 -8.272 484 HE2 LYS 143 2HE LYS 143 -9.049 5.624 -10.416 485 HE3 LYS 143 1HE LYS 143 -8.529 3.946 -10.557 486 HZ1 LYS 143 3HZ LYS 143 -10.581 3.334 -11.061 487 HZ2 LYS 143 1HZ LYS 143 -11.030 4.968 -11.114 488 HZ3 LYS 143 2HZ LYS 143 -11.216 4.083 -9.676 489 H MET 144 H MET 144 -6.902 1.486 -5.574 490 HA MET 144 HA MET 144 -5.808 0.082 -7.778 491 HB2 MET 144 2HB MET 144 -4.482 1.439 -6.173 492 HB3 MET 144 1HB MET 144 -4.741 0.211 -4.962 493 HG2 MET 144 2HG MET 144 -3.593 -1.460 -6.365 494 HG3 MET 144 1HG MET 144 -3.345 -0.245 -7.618 495 HE1 MET 144 3HE MET 144 -3.067 -1.190 -4.086 496 HE2 MET 144 1HE MET 144 -1.617 -0.429 -3.414 497 HE3 MET 144 2HE MET 144 -1.472 -1.843 -4.455 498 H MET 145 H MET 145 -6.975 -0.908 -4.641 499 HA MET 145 HA MET 145 -6.188 -3.624 -4.781 500 HB2 MET 145 2HB MET 145 -6.937 -2.562 -2.680 501 HB3 MET 145 1HB MET 145 -8.576 -2.465 -3.321 502 HG2 MET 145 2HG MET 145 -8.654 -4.919 -3.530 503 HG3 MET 145 1HG MET 145 -7.000 -5.032 -2.931 504 HE1 MET 145 3HE MET 145 -6.264 -3.957 -0.611 505 HE2 MET 145 1HE MET 145 -6.560 -5.700 -0.654 506 HE3 MET 145 2HE MET 145 -7.109 -4.742 0.720 507 H MET 146 H MET 146 -9.091 -1.934 -5.890 508 HA MET 146 HA MET 146 -10.525 -4.239 -6.685 509 HB2 MET 146 2HB MET 146 -10.640 -1.333 -7.492 510 HB3 MET 146 1HB MET 146 -11.683 -2.538 -8.248 511 HG2 MET 146 2HG MET 146 -11.501 -2.111 -5.255 512 HG3 MET 146 1HG MET 146 -12.730 -1.368 -6.272 513 HE1 MET 146 3HE MET 146 -14.375 -2.358 -7.519 514 HE2 MET 146 1HE MET 146 -15.062 -3.976 -7.349 515 HE3 MET 146 2HE MET 146 -13.661 -3.717 -8.382 516 H THR 147 H THR 147 -8.206 -2.146 -8.355 517 HA THR 147 HA THR 147 -8.411 -3.057 -10.941 518 HB THR 147 HB THR 147 -5.794 -2.526 -9.517 519 HG1 THR 147 1HG THR 147 -7.102 -0.800 -9.125 520 HG21 THR 147 3HG2 THR 147 -5.233 -1.610 -11.827 521 HG22 THR 147 1HG2 THR 147 -6.708 -2.390 -12.398 522 HG23 THR 147 2HG2 THR 147 -5.400 -3.363 -11.722 523 H VAL 148 H VAL 148 -7.571 -4.851 -8.181 524 HA VAL 148 HA VAL 148 -5.968 -6.844 -9.518 525 HB VAL 148 HB VAL 148 -7.339 -6.964 -6.820 526 HG11 VAL 148 1HG1 VAL 148 -6.715 -9.175 -7.366 527 HG12 VAL 148 2HG1 VAL 148 -5.334 -8.579 -6.447 528 HG13 VAL 148 3HG1 VAL 148 -5.256 -8.651 -8.209 529 HG21 VAL 148 3HG2 VAL 148 -4.462 -6.253 -7.456 530 HG22 VAL 148 1HG2 VAL 148 -5.271 -6.151 -5.893 531 HG23 VAL 148 2HG2 VAL 148 -5.712 -5.039 -7.188 532 H ARG 149 H ARG 149 -9.164 -6.088 -9.719 533 HA ARG 149 HA ARG 149 -10.146 -8.854 -9.831 534 HB2 ARG 149 2HB ARG 149 -11.529 -6.181 -10.122 535 HB3 ARG 149 1HB ARG 149 -12.347 -7.731 -10.320 536 HG2 ARG 149 2HG ARG 149 -10.728 -7.260 -7.821 537 HG3 ARG 149 1HG ARG 149 -12.322 -6.519 -7.952 538 HD2 ARG 149 2HD ARG 149 -11.799 -9.473 -8.384 539 HD3 ARG 149 1HD ARG 149 -12.349 -8.782 -6.863 540 HE ARG 149 HE ARG 149 -14.125 -7.879 -8.792 541 HH11 ARG 149 1HH2 ARG 149 -12.956 -10.884 -7.565 542 HH12 ARG 149 2HH2 ARG 149 -14.430 -11.744 -7.860 543 HH21 ARG 149 1HH1 ARG 149 -16.073 -8.993 -9.188 544 HH22 ARG 149 2HH1 ARG 149 -16.198 -10.672 -8.780 Start of MODEL 9 1 H1 ASP 80 1HT ASP 80 -18.678 -7.941 2.868 2 H2 ASP 80 2HT ASP 80 -18.483 -6.568 3.849 3 H3 ASP 80 3HT ASP 80 -19.392 -7.891 4.405 4 HA ASP 80 HA ASP 80 -17.295 -7.965 5.489 5 HB2 ASP 80 2HB ASP 80 -17.625 -9.954 3.240 6 HB3 ASP 80 1HB ASP 80 -16.396 -10.121 4.492 7 H ALA 81 H ALA 81 -16.886 -7.914 1.936 8 HA ALA 81 HA ALA 81 -14.121 -7.707 1.821 9 HB1 ALA 81 1HB ALA 81 -16.179 -6.326 0.086 10 HB2 ALA 81 2HB ALA 81 -15.455 -7.908 -0.198 11 HB3 ALA 81 3HB ALA 81 -14.464 -6.452 -0.301 12 H GLU 82 H GLU 82 -16.494 -5.066 2.173 13 HA GLU 82 HA GLU 82 -14.617 -2.979 2.332 14 HB2 GLU 82 2HB GLU 82 -17.269 -2.999 2.168 15 HB3 GLU 82 1HB GLU 82 -17.130 -2.782 3.914 16 HG2 GLU 82 2HG GLU 82 -15.844 -1.070 1.783 17 HG3 GLU 82 1HG GLU 82 -17.183 -0.606 2.826 18 H GLU 83 H GLU 83 -15.836 -5.209 4.743 19 HA GLU 83 HA GLU 83 -14.786 -3.807 7.008 20 HB2 GLU 83 2HB GLU 83 -16.543 -5.685 7.014 21 HB3 GLU 83 1HB GLU 83 -15.179 -6.790 6.877 22 HG2 GLU 83 2HG GLU 83 -15.325 -4.666 9.023 23 HG3 GLU 83 1HG GLU 83 -15.972 -6.284 9.250 24 H GLU 84 H GLU 84 -13.674 -6.925 5.657 25 HA GLU 84 HA GLU 84 -11.205 -7.030 6.829 26 HB2 GLU 84 2HB GLU 84 -11.883 -7.841 3.991 27 HB3 GLU 84 1HB GLU 84 -10.457 -8.370 4.885 28 HG2 GLU 84 2HG GLU 84 -13.316 -8.826 5.787 29 HG3 GLU 84 1HG GLU 84 -12.323 -10.031 4.967 30 H LEU 85 H LEU 85 -11.983 -5.321 3.770 31 HA LEU 85 HA LEU 85 -9.358 -4.403 3.300 32 HB2 LEU 85 2HB LEU 85 -12.049 -3.293 2.488 33 HB3 LEU 85 1HB LEU 85 -10.520 -2.634 1.913 34 HG LEU 85 HG LEU 85 -11.253 -5.559 1.631 35 HD11 LEU 85 1HD1 LEU 85 -12.909 -4.149 0.452 36 HD12 LEU 85 2HD1 LEU 85 -11.902 -5.051 -0.681 37 HD13 LEU 85 3HD1 LEU 85 -11.600 -3.334 -0.405 38 HD21 LEU 85 3HD2 LEU 85 -9.538 -5.199 -0.337 39 HD22 LEU 85 1HD2 LEU 85 -8.930 -5.366 1.304 40 HD23 LEU 85 2HD2 LEU 85 -9.053 -3.769 0.570 41 H LYS 86 H LYS 86 -12.085 -2.901 5.039 42 HA LYS 86 HA LYS 86 -10.735 -0.493 5.655 43 HB2 LYS 86 2HB LYS 86 -13.186 -0.807 5.877 44 HB3 LYS 86 1HB LYS 86 -12.902 -1.862 7.262 45 HG2 LYS 86 2HG LYS 86 -11.781 -0.023 8.450 46 HG3 LYS 86 1HG LYS 86 -12.028 1.036 7.064 47 HD2 LYS 86 2HD LYS 86 -14.467 0.793 7.298 48 HD3 LYS 86 1HD LYS 86 -14.233 -0.287 8.672 49 HE2 LYS 86 2HE LYS 86 -14.711 1.983 9.465 50 HE3 LYS 86 1HE LYS 86 -13.057 1.534 9.881 51 HZ1 LYS 86 3HZ LYS 86 -13.538 2.878 7.323 52 HZ2 LYS 86 1HZ LYS 86 -12.184 2.947 8.342 53 HZ3 LYS 86 2HZ LYS 86 -13.590 3.811 8.742 54 H GLU 87 H GLU 87 -10.952 -3.603 7.384 55 HA GLU 87 HA GLU 87 -9.499 -2.719 9.667 56 HB2 GLU 87 2HB GLU 87 -10.985 -4.747 9.581 57 HB3 GLU 87 1HB GLU 87 -9.743 -5.534 8.613 58 HG2 GLU 87 2HG GLU 87 -9.361 -6.191 10.875 59 HG3 GLU 87 1HG GLU 87 -8.106 -5.029 10.460 60 H ALA 88 H ALA 88 -8.546 -4.679 6.826 61 HA ALA 88 HA ALA 88 -5.869 -4.988 7.442 62 HB1 ALA 88 1HB ALA 88 -7.014 -6.061 5.513 63 HB2 ALA 88 2HB ALA 88 -5.484 -5.309 5.056 64 HB3 ALA 88 3HB ALA 88 -7.010 -4.505 4.682 65 H PHE 89 H PHE 89 -7.453 -2.289 5.743 66 HA PHE 89 HA PHE 89 -5.160 -0.774 5.188 67 HB2 PHE 89 2HB PHE 89 -7.369 -0.251 4.248 68 HB3 PHE 89 1HB PHE 89 -7.945 0.200 5.854 69 HD1 PHE 89 1HD PHE 89 -7.068 2.223 6.985 70 HD2 PHE 89 2HD PHE 89 -5.878 1.192 2.996 71 HE1 PHE 89 1HE PHE 89 -6.135 4.493 6.680 72 HE2 PHE 89 2HE PHE 89 -4.948 3.463 2.684 73 HZ PHE 89 HZ PHE 89 -5.077 5.118 4.527 74 H LYS 90 H LYS 90 -7.274 -0.801 8.071 75 HA LYS 90 HA LYS 90 -5.891 1.248 9.450 76 HB2 LYS 90 2HB LYS 90 -8.183 0.471 10.016 77 HB3 LYS 90 1HB LYS 90 -7.495 -1.041 10.610 78 HG2 LYS 90 2HG LYS 90 -6.202 0.159 12.295 79 HG3 LYS 90 1HG LYS 90 -6.763 1.707 11.663 80 HD2 LYS 90 2HD LYS 90 -9.091 1.090 12.213 81 HD3 LYS 90 1HD LYS 90 -8.528 -0.455 12.851 82 HE2 LYS 90 2HE LYS 90 -7.171 0.728 14.535 83 HE3 LYS 90 1HE LYS 90 -7.721 2.277 13.896 84 HZ1 LYS 90 3HZ LYS 90 -9.717 0.279 14.699 85 HZ2 LYS 90 1HZ LYS 90 -9.825 1.972 14.702 86 HZ3 LYS 90 2HZ LYS 90 -8.927 1.177 15.906 87 H VAL 91 H VAL 91 -5.392 -2.243 9.204 88 HA VAL 91 HA VAL 91 -3.389 -2.252 11.303 89 HB VAL 91 HB VAL 91 -4.135 -4.382 9.293 90 HG11 VAL 91 1HG1 VAL 91 -2.359 -4.386 11.743 91 HG12 VAL 91 2HG1 VAL 91 -1.912 -4.817 10.093 92 HG13 VAL 91 3HG1 VAL 91 -2.992 -5.862 11.015 93 HG21 VAL 91 3HG2 VAL 91 -4.821 -4.218 12.235 94 HG22 VAL 91 1HG2 VAL 91 -5.500 -5.306 11.025 95 HG23 VAL 91 2HG2 VAL 91 -5.889 -3.587 10.982 96 H PHE 92 H PHE 92 -3.477 -2.079 7.793 97 HA PHE 92 HA PHE 92 -0.748 -2.624 7.286 98 HB2 PHE 92 2HB PHE 92 -2.894 -1.149 5.820 99 HB3 PHE 92 1HB PHE 92 -1.225 -0.921 5.300 100 HD1 PHE 92 2HD PHE 92 -2.631 -4.009 6.798 101 HD2 PHE 92 1HD PHE 92 -1.267 -2.091 3.210 102 HE1 PHE 92 2HE PHE 92 -2.712 -6.171 5.619 103 HE2 PHE 92 1HE PHE 92 -1.353 -4.252 2.027 104 HZ PHE 92 HZ PHE 92 -2.071 -6.304 3.228 105 H ASP 93 H ASP 93 -2.398 0.299 8.340 106 HA ASP 93 HA ASP 93 -0.202 2.046 7.879 107 HB2 ASP 93 2HB ASP 93 -2.673 2.661 8.248 108 HB3 ASP 93 1HB ASP 93 -2.343 2.469 9.966 109 H LYS 94 H LYS 94 1.639 0.971 8.774 110 HA LYS 94 HA LYS 94 1.853 -0.016 11.379 111 HB2 LYS 94 2HB LYS 94 3.561 -0.221 9.510 112 HB3 LYS 94 1HB LYS 94 4.079 1.414 9.921 113 HG2 LYS 94 2HG LYS 94 4.611 0.718 12.201 114 HG3 LYS 94 1HG LYS 94 4.002 -0.906 11.872 115 HD2 LYS 94 2HD LYS 94 5.728 -1.193 10.122 116 HD3 LYS 94 1HD LYS 94 6.349 0.419 10.480 117 HE2 LYS 94 2HE LYS 94 6.824 -0.284 12.803 118 HE3 LYS 94 1HE LYS 94 6.224 -1.901 12.429 119 HZ1 LYS 94 3HZ LYS 94 8.681 -0.575 11.529 120 HZ2 LYS 94 1HZ LYS 94 7.957 -1.720 10.510 121 HZ3 LYS 94 2HZ LYS 94 8.449 -2.167 12.073 122 H ASP 95 H ASP 95 2.729 3.258 10.212 123 HA ASP 95 HA ASP 95 3.199 4.221 12.873 124 HB2 ASP 95 2HB ASP 95 3.452 6.417 11.784 125 HB3 ASP 95 1HB ASP 95 4.369 5.180 10.931 126 H GLN 96 H GLN 96 0.420 3.371 11.379 127 HA GLN 96 HA GLN 96 -1.797 3.971 11.600 128 HB2 GLN 96 2HB GLN 96 -0.974 3.393 13.994 129 HB3 GLN 96 1HB GLN 96 -1.044 5.132 14.273 130 HG2 GLN 96 2HG GLN 96 -3.171 4.214 14.960 131 HG3 GLN 96 1HG GLN 96 -3.436 5.080 13.450 132 HE21 GLN 96 1HE2 GLN 96 -5.110 3.835 12.519 133 HE22 GLN 96 2HE2 GLN 96 -4.976 2.175 12.197 134 H ASN 97 H ASN 97 -0.114 5.962 10.306 135 HA ASN 97 HA ASN 97 -0.838 8.553 11.364 136 HB2 ASN 97 2HB ASN 97 0.293 9.450 9.431 137 HB3 ASN 97 1HB ASN 97 1.262 8.129 10.085 138 HD21 ASN 97 1HD2 ASN 97 1.469 8.937 7.325 139 HD22 ASN 97 2HD2 ASN 97 0.879 7.665 6.368 140 H GLY 98 H GLY 98 -2.427 6.234 9.435 141 HA2 GLY 98 2HA GLY 98 -4.722 6.467 8.836 142 HA3 GLY 98 1HA GLY 98 -4.511 8.214 8.788 143 H TYR 99 H TYR 99 -1.856 6.962 7.285 144 HA TYR 99 HA TYR 99 -3.136 6.789 4.614 145 HB2 TYR 99 2HB TYR 99 -0.972 8.660 5.534 146 HB3 TYR 99 1HB TYR 99 -1.008 8.111 3.859 147 HD1 TYR 99 1HD TYR 99 -3.151 9.657 6.506 148 HD2 TYR 99 2HD TYR 99 -2.460 9.111 2.303 149 HE1 TYR 99 1HE TYR 99 -4.946 11.284 5.999 150 HE2 TYR 99 2HE TYR 99 -4.254 10.739 1.798 151 HH TYR 99 HH TYR 99 -6.370 11.981 4.283 152 H ILE 100 H ILE 100 -2.144 5.323 3.200 153 HA ILE 100 HA ILE 100 -0.214 3.516 4.427 154 HB ILE 100 HB ILE 100 -1.403 3.534 1.647 155 HG12 ILE 100 2HG1 ILE 100 -2.834 3.056 3.844 156 HG13 ILE 100 1HG1 ILE 100 -3.016 2.044 2.411 157 HG21 ILE 100 1HG2 ILE 100 0.464 1.658 3.092 158 HG22 ILE 100 2HG2 ILE 100 0.641 2.353 1.481 159 HG23 ILE 100 3HG2 ILE 100 -0.558 1.094 1.770 160 HD11 ILE 100 3HD1 ILE 100 -1.725 0.300 3.317 161 HD12 ILE 100 1HD1 ILE 100 -2.658 0.871 4.700 162 HD13 ILE 100 2HD1 ILE 100 -0.973 1.351 4.520 163 H SER 101 H SER 101 1.880 4.008 4.453 164 HA SER 101 HA SER 101 2.992 5.916 2.500 165 HB2 SER 101 2HB SER 101 4.065 4.633 5.010 166 HB3 SER 101 1HB SER 101 5.089 5.567 3.926 167 HG SER 101 HG SER 101 4.338 7.102 5.217 168 H ALA 102 H ALA 102 4.899 5.431 1.235 169 HA ALA 102 HA ALA 102 4.787 2.969 -0.121 170 HB1 ALA 102 1HB ALA 102 6.742 3.658 -1.276 171 HB2 ALA 102 2HB ALA 102 7.265 4.676 0.066 172 HB3 ALA 102 3HB ALA 102 5.869 5.146 -0.904 173 H SER 103 H SER 103 6.988 4.065 2.473 174 HA SER 103 HA SER 103 8.571 1.743 2.580 175 HB2 SER 103 2HB SER 103 7.842 3.644 4.816 176 HB3 SER 103 1HB SER 103 9.154 2.470 4.858 177 HG SER 103 HG SER 103 10.314 3.781 3.695 178 H GLU 104 H GLU 104 5.527 2.555 4.293 179 HA GLU 104 HA GLU 104 5.455 0.207 5.838 180 HB2 GLU 104 2HB GLU 104 3.299 2.105 4.907 181 HB3 GLU 104 1HB GLU 104 2.996 0.762 5.974 182 HG2 GLU 104 2HG GLU 104 4.679 1.652 7.562 183 HG3 GLU 104 1HG GLU 104 4.891 3.042 6.506 184 H LEU 105 H LEU 105 4.336 0.964 2.559 185 HA LEU 105 HA LEU 105 2.867 -1.448 2.184 186 HB2 LEU 105 2HB LEU 105 2.468 0.449 0.720 187 HB3 LEU 105 1HB LEU 105 4.150 0.466 0.209 188 HG LEU 105 HG LEU 105 3.896 -1.693 -0.892 189 HD11 LEU 105 1HD1 LEU 105 1.181 -1.651 0.413 190 HD12 LEU 105 2HD1 LEU 105 2.400 -2.924 0.428 191 HD13 LEU 105 3HD1 LEU 105 1.477 -2.612 -1.036 192 HD21 LEU 105 3HD2 LEU 105 3.295 0.209 -2.268 193 HD22 LEU 105 1HD2 LEU 105 1.674 0.270 -1.583 194 HD23 LEU 105 2HD2 LEU 105 2.146 -1.079 -2.616 195 H ARG 106 H ARG 106 6.215 -0.499 1.519 196 HA ARG 106 HA ARG 106 6.987 -2.856 0.168 197 HB2 ARG 106 2HB ARG 106 8.592 -0.896 1.812 198 HB3 ARG 106 1HB ARG 106 9.313 -2.219 0.894 199 HG2 ARG 106 2HG ARG 106 8.374 -1.365 -1.159 200 HG3 ARG 106 1HG ARG 106 7.518 -0.093 -0.304 201 HD2 ARG 106 2HD ARG 106 9.536 0.812 -1.301 202 HD3 ARG 106 1HD ARG 106 9.688 0.818 0.453 203 HE ARG 106 HE ARG 106 10.757 -1.593 -0.619 204 HH11 ARG 106 1HH2 ARG 106 11.303 1.790 -0.290 205 HH12 ARG 106 2HH2 ARG 106 13.029 1.670 -0.361 206 HH21 ARG 106 1HH1 ARG 106 13.028 -1.781 -0.720 207 HH22 ARG 106 2HH1 ARG 106 14.010 -0.359 -0.606 208 H HIS 107 H HIS 107 7.234 -1.985 3.627 209 HA HIS 107 HA HIS 107 8.407 -4.350 4.533 210 HB2 HIS 107 2HB HIS 107 8.031 -2.309 5.924 211 HB3 HIS 107 1HB HIS 107 6.316 -2.720 5.989 212 HD1 HIS 107 1HD HIS 107 5.604 -4.437 7.694 213 HD2 HIS 107 2HD HIS 107 9.740 -4.352 7.181 214 HE1 HIS 107 1HE HIS 107 6.577 -5.957 9.469 215 HE2 HIS 107 2HE HIS 107 9.099 -5.918 9.170 216 H VAL 108 H VAL 108 4.986 -3.576 3.990 217 HA VAL 108 HA VAL 108 3.978 -6.070 4.897 218 HB VAL 108 HB VAL 108 2.847 -4.056 2.945 219 HG11 VAL 108 1HG1 VAL 108 0.669 -5.277 3.571 220 HG12 VAL 108 2HG1 VAL 108 1.700 -6.593 4.122 221 HG13 VAL 108 3HG1 VAL 108 1.735 -6.092 2.430 222 HG21 VAL 108 3HG2 VAL 108 3.229 -3.429 5.397 223 HG22 VAL 108 1HG2 VAL 108 2.034 -4.661 5.798 224 HG23 VAL 108 2HG2 VAL 108 1.573 -3.271 4.816 225 H MET 109 H MET 109 5.020 -4.904 1.698 226 HA MET 109 HA MET 109 4.207 -7.138 0.204 227 HB2 MET 109 2HB MET 109 6.409 -5.110 -0.146 228 HB3 MET 109 1HB MET 109 6.191 -6.425 -1.299 229 HG2 MET 109 2HG MET 109 3.899 -5.724 -1.734 230 HG3 MET 109 1HG MET 109 4.017 -4.469 -0.502 231 HE1 MET 109 3HE MET 109 3.718 -2.508 -3.683 232 HE2 MET 109 1HE MET 109 2.874 -3.675 -2.657 233 HE3 MET 109 2HE MET 109 3.597 -4.194 -4.178 234 H ILE 110 H ILE 110 7.236 -6.522 1.985 235 HA ILE 110 HA ILE 110 8.478 -8.974 1.204 236 HB ILE 110 HB ILE 110 8.960 -6.970 3.395 237 HG12 ILE 110 2HG1 ILE 110 11.242 -7.054 2.124 238 HG13 ILE 110 1HG1 ILE 110 10.335 -7.897 0.871 239 HG21 ILE 110 1HG2 ILE 110 11.062 -8.416 3.840 240 HG22 ILE 110 2HG2 ILE 110 10.161 -9.723 3.071 241 HG23 ILE 110 3HG2 ILE 110 9.537 -8.964 4.536 242 HD11 ILE 110 3HD1 ILE 110 9.595 -5.194 2.022 243 HD12 ILE 110 1HD1 ILE 110 8.757 -6.032 0.714 244 HD13 ILE 110 2HD1 ILE 110 10.402 -5.448 0.476 245 H ASN 111 H ASN 111 6.506 -7.995 3.991 246 HA ASN 111 HA ASN 111 6.751 -10.404 5.443 247 HB2 ASN 111 2HB ASN 111 5.864 -8.447 6.517 248 HB3 ASN 111 1HB ASN 111 4.532 -8.353 5.373 249 HD21 ASN 111 1HD2 ASN 111 3.339 -8.468 7.647 250 HD22 ASN 111 2HD2 ASN 111 2.948 -10.027 8.194 251 H LEU 112 H LEU 112 4.705 -9.451 2.763 252 HA LEU 112 HA LEU 112 3.071 -11.838 2.948 253 HB2 LEU 112 2HB LEU 112 3.147 -9.406 1.242 254 HB3 LEU 112 1HB LEU 112 2.494 -10.851 0.486 255 HG LEU 112 HG LEU 112 0.794 -9.369 1.673 256 HD11 LEU 112 1HD1 LEU 112 -0.508 -11.198 2.242 257 HD12 LEU 112 2HD1 LEU 112 0.820 -12.031 3.039 258 HD13 LEU 112 3HD1 LEU 112 0.731 -11.999 1.280 259 HD21 LEU 112 3HD2 LEU 112 1.780 -10.583 4.233 260 HD22 LEU 112 1HD2 LEU 112 0.824 -9.126 3.982 261 HD23 LEU 112 2HD2 LEU 112 2.551 -9.117 3.635 262 H GLY 113 H GLY 113 6.155 -11.377 2.017 263 HA2 GLY 113 2HA GLY 113 7.579 -12.972 1.040 264 HA3 GLY 113 1HA GLY 113 6.159 -13.845 0.471 265 H GLU 114 H GLU 114 5.940 -10.540 -0.208 266 HA GLU 114 HA GLU 114 6.704 -11.010 -3.037 267 HB2 GLU 114 2HB GLU 114 4.842 -8.970 -1.788 268 HB3 GLU 114 1HB GLU 114 5.242 -9.052 -3.504 269 HG2 GLU 114 2HG GLU 114 3.975 -11.312 -1.927 270 HG3 GLU 114 1HG GLU 114 3.089 -10.194 -2.965 271 H LYS 115 H LYS 115 8.567 -10.070 -3.690 272 HA LYS 115 HA LYS 115 9.445 -7.577 -2.329 273 HB2 LYS 115 2HB LYS 115 11.813 -8.486 -2.920 274 HB3 LYS 115 1HB LYS 115 10.980 -9.160 -1.520 275 HG2 LYS 115 2HG LYS 115 10.196 -11.057 -2.865 276 HG3 LYS 115 1HG LYS 115 10.969 -10.382 -4.294 277 HD2 LYS 115 2HD LYS 115 13.164 -10.573 -3.237 278 HD3 LYS 115 1HD LYS 115 12.415 -11.190 -1.763 279 HE2 LYS 115 2HE LYS 115 13.132 -13.131 -2.923 280 HE3 LYS 115 1HE LYS 115 11.403 -13.031 -3.255 281 HZ1 LYS 115 3HZ LYS 115 12.371 -11.558 -5.241 282 HZ2 LYS 115 1HZ LYS 115 12.105 -13.229 -5.368 283 HZ3 LYS 115 2HZ LYS 115 13.665 -12.641 -5.035 284 H LEU 116 H LEU 116 8.962 -6.062 -3.860 285 HA LEU 116 HA LEU 116 9.825 -6.588 -6.652 286 HB2 LEU 116 2HB LEU 116 7.992 -4.373 -5.728 287 HB3 LEU 116 1HB LEU 116 8.204 -4.998 -7.360 288 HG LEU 116 HG LEU 116 7.449 -7.280 -6.118 289 HD11 LEU 116 1HD1 LEU 116 5.765 -5.178 -4.754 290 HD12 LEU 116 2HD1 LEU 116 7.190 -5.853 -3.971 291 HD13 LEU 116 3HD1 LEU 116 5.843 -6.905 -4.408 292 HD21 LEU 116 3HD2 LEU 116 6.404 -6.363 -8.120 293 HD22 LEU 116 1HD2 LEU 116 5.642 -5.085 -7.176 294 HD23 LEU 116 2HD2 LEU 116 5.148 -6.762 -6.949 295 H THR 117 H THR 117 10.903 -4.817 -7.791 296 HA THR 117 HA THR 117 12.950 -3.626 -6.209 297 HB THR 117 HB THR 117 13.692 -2.582 -8.248 298 HG1 THR 117 1HG THR 117 12.195 -2.814 -10.100 299 HG21 THR 117 3HG2 THR 117 13.710 -4.506 -9.784 300 HG22 THR 117 1HG2 THR 117 12.387 -5.244 -8.882 301 HG23 THR 117 2HG2 THR 117 13.963 -5.032 -8.121 302 H ASP 118 H ASP 118 13.342 -1.243 -5.998 303 HA ASP 118 HA ASP 118 11.132 0.079 -4.858 304 HB2 ASP 118 2HB ASP 118 13.805 1.079 -5.829 305 HB3 ASP 118 1HB ASP 118 12.622 2.134 -5.056 306 H GLU 119 H GLU 119 12.456 0.144 -8.127 307 HA GLU 119 HA GLU 119 10.963 2.360 -9.060 308 HB2 GLU 119 2HB GLU 119 12.125 -0.003 -10.523 309 HB3 GLU 119 1HB GLU 119 11.395 1.389 -11.322 310 HG2 GLU 119 2HG GLU 119 13.018 2.886 -10.264 311 HG3 GLU 119 1HG GLU 119 13.710 1.530 -9.391 312 H GLU 120 H GLU 120 10.201 -1.092 -8.760 313 HA GLU 120 HA GLU 120 7.797 -0.962 -10.279 314 HB2 GLU 120 2HB GLU 120 8.829 -2.922 -8.217 315 HB3 GLU 120 1HB GLU 120 7.303 -3.136 -9.074 316 HG2 GLU 120 2HG GLU 120 8.418 -3.206 -11.194 317 HG3 GLU 120 1HG GLU 120 9.946 -2.735 -10.478 318 H VAL 121 H VAL 121 8.494 -0.908 -6.781 319 HA VAL 121 HA VAL 121 5.783 -0.591 -5.997 320 HB VAL 121 HB VAL 121 8.334 0.151 -4.548 321 HG11 VAL 121 1HG1 VAL 121 5.440 0.065 -3.684 322 HG12 VAL 121 2HG1 VAL 121 6.598 1.379 -3.483 323 HG13 VAL 121 3HG1 VAL 121 6.761 -0.093 -2.525 324 HG21 VAL 121 3HG2 VAL 121 6.586 -2.310 -4.642 325 HG22 VAL 121 1HG2 VAL 121 7.656 -1.994 -3.279 326 HG23 VAL 121 2HG2 VAL 121 8.327 -2.199 -4.896 327 H GLU 122 H GLU 122 8.429 1.763 -6.467 328 HA GLU 122 HA GLU 122 6.960 4.052 -5.760 329 HB2 GLU 122 2HB GLU 122 9.305 3.663 -7.623 330 HB3 GLU 122 1HB GLU 122 8.637 5.248 -7.244 331 HG2 GLU 122 2HG GLU 122 9.093 4.945 -4.883 332 HG3 GLU 122 1HG GLU 122 9.598 3.279 -5.153 333 H GLN 123 H GLN 123 7.312 2.368 -8.863 334 HA GLN 123 HA GLN 123 5.838 4.287 -10.373 335 HB2 GLN 123 2HB GLN 123 6.610 1.412 -10.834 336 HB3 GLN 123 1HB GLN 123 5.563 2.269 -11.966 337 HG2 GLN 123 2HG GLN 123 8.249 3.344 -11.076 338 HG3 GLN 123 1HG GLN 123 8.038 2.358 -12.521 339 HE21 GLN 123 1HE2 GLN 123 8.557 5.446 -11.864 340 HE22 GLN 123 2HE2 GLN 123 7.522 6.209 -12.973 341 H MET 124 H MET 124 4.916 1.321 -8.634 342 HA MET 124 HA MET 124 2.246 1.255 -9.545 343 HB2 MET 124 2HB MET 124 3.428 -0.654 -8.467 344 HB3 MET 124 1HB MET 124 3.381 0.224 -6.939 345 HG2 MET 124 2HG MET 124 1.511 -1.269 -6.934 346 HG3 MET 124 1HG MET 124 0.874 0.347 -7.200 347 HE1 MET 124 3HE MET 124 2.096 -2.856 -8.581 348 HE2 MET 124 1HE MET 124 1.119 -3.200 -10.014 349 HE3 MET 124 2HE MET 124 0.385 -3.231 -8.413 350 H ILE 125 H ILE 125 3.788 2.746 -6.700 351 HA ILE 125 HA ILE 125 1.377 3.679 -5.519 352 HB ILE 125 HB ILE 125 4.251 4.589 -5.316 353 HG12 ILE 125 2HG1 ILE 125 2.439 3.096 -3.378 354 HG13 ILE 125 1HG1 ILE 125 3.665 2.347 -4.391 355 HG21 ILE 125 1HG2 ILE 125 3.079 6.553 -4.753 356 HG22 ILE 125 2HG2 ILE 125 3.327 5.772 -3.193 357 HG23 ILE 125 3HG2 ILE 125 1.762 5.662 -3.995 358 HD11 ILE 125 3HD1 ILE 125 4.856 2.614 -2.417 359 HD12 ILE 125 1HD1 ILE 125 3.998 4.091 -1.983 360 HD13 ILE 125 2HD1 ILE 125 5.250 4.129 -3.224 361 H LYS 126 H LYS 126 3.704 5.138 -7.729 362 HA LYS 126 HA LYS 126 2.491 7.679 -7.933 363 HB2 LYS 126 2HB LYS 126 4.196 6.153 -9.863 364 HB3 LYS 126 1HB LYS 126 3.722 7.827 -10.104 365 HG2 LYS 126 2HG LYS 126 4.980 7.005 -7.503 366 HG3 LYS 126 1HG LYS 126 6.004 7.271 -8.913 367 HD2 LYS 126 2HD LYS 126 4.948 9.527 -9.194 368 HD3 LYS 126 1HD LYS 126 4.081 9.262 -7.682 369 HE2 LYS 126 2HE LYS 126 7.094 9.229 -7.989 370 HE3 LYS 126 1HE LYS 126 6.159 10.571 -7.330 371 HZ1 LYS 126 3HZ LYS 126 5.548 9.338 -5.479 372 HZ2 LYS 126 1HZ LYS 126 7.168 8.893 -5.711 373 HZ3 LYS 126 2HZ LYS 126 5.922 7.850 -6.209 374 H GLU 127 H GLU 127 2.036 4.708 -9.792 375 HA GLU 127 HA GLU 127 0.149 5.815 -11.623 376 HB2 GLU 127 2HB GLU 127 1.471 3.751 -12.011 377 HB3 GLU 127 1HB GLU 127 0.480 2.944 -10.812 378 HG2 GLU 127 2HG GLU 127 -1.540 3.405 -12.121 379 HG3 GLU 127 1HG GLU 127 -0.582 4.275 -13.319 380 H ALA 128 H ALA 128 -0.084 4.198 -8.517 381 HA ALA 128 HA ALA 128 -2.956 3.932 -8.620 382 HB1 ALA 128 1HB ALA 128 -1.508 2.444 -7.254 383 HB2 ALA 128 2HB ALA 128 -2.806 3.201 -6.328 384 HB3 ALA 128 3HB ALA 128 -1.157 3.813 -6.200 385 H ASP 129 H ASP 129 -0.698 6.340 -7.460 386 HA ASP 129 HA ASP 129 -2.605 7.746 -5.849 387 HB2 ASP 129 2HB ASP 129 0.115 8.263 -6.857 388 HB3 ASP 129 1HB ASP 129 -0.799 9.641 -6.282 389 H LEU 130 H LEU 130 -4.304 8.775 -6.626 390 HA LEU 130 HA LEU 130 -4.326 9.747 -9.358 391 HB2 LEU 130 2HB LEU 130 -6.308 8.630 -8.172 392 HB3 LEU 130 1HB LEU 130 -6.505 10.158 -7.323 393 HG LEU 130 HG LEU 130 -6.480 11.244 -9.695 394 HD11 LEU 130 1HD1 LEU 130 -7.523 9.588 -11.371 395 HD12 LEU 130 2HD1 LEU 130 -6.909 8.316 -10.318 396 HD13 LEU 130 3HD1 LEU 130 -5.792 9.446 -11.080 397 HD21 LEU 130 3HD2 LEU 130 -8.918 10.807 -9.939 398 HD22 LEU 130 1HD2 LEU 130 -8.472 11.164 -8.271 399 HD23 LEU 130 2HD2 LEU 130 -8.784 9.498 -8.764 400 H ASP 131 H ASP 131 -3.897 11.056 -6.165 401 HA ASP 131 HA ASP 131 -4.191 13.804 -7.191 402 HB2 ASP 131 2HB ASP 131 -4.078 14.463 -4.818 403 HB3 ASP 131 1HB ASP 131 -5.373 13.308 -5.122 404 H GLY 132 H GLY 132 -1.781 11.695 -7.346 405 HA2 GLY 132 2HA GLY 132 0.525 11.783 -7.094 406 HA3 GLY 132 1HA GLY 132 0.283 13.378 -7.798 407 H ASP 133 H ASP 133 -0.446 11.999 -4.547 408 HA ASP 133 HA ASP 133 0.790 14.395 -3.362 409 HB2 ASP 133 2HB ASP 133 -0.353 13.790 -1.332 410 HB3 ASP 133 1HB ASP 133 -1.512 13.656 -2.656 411 H GLY 134 H GLY 134 1.444 11.110 -4.003 412 HA2 GLY 134 2HA GLY 134 3.568 10.113 -3.717 413 HA3 GLY 134 1HA GLY 134 3.917 11.267 -2.432 414 H GLN 135 H GLN 135 0.952 10.535 -1.628 415 HA GLN 135 HA GLN 135 1.737 8.225 0.048 416 HB2 GLN 135 2HB GLN 135 0.275 10.754 0.503 417 HB3 GLN 135 1HB GLN 135 -0.435 9.335 1.244 418 HG2 GLN 135 2HG GLN 135 1.552 8.846 2.466 419 HG3 GLN 135 1HG GLN 135 2.488 10.005 1.522 420 HE21 GLN 135 1HE2 GLN 135 2.326 12.267 2.093 421 HE22 GLN 135 2HE2 GLN 135 1.495 12.790 3.479 422 H VAL 136 H VAL 136 0.555 6.386 -0.057 423 HA VAL 136 HA VAL 136 -1.549 6.225 -2.051 424 HB VAL 136 HB VAL 136 -0.295 4.212 -0.190 425 HG11 VAL 136 1HG1 VAL 136 -1.645 2.559 -1.645 426 HG12 VAL 136 2HG1 VAL 136 -2.637 3.952 -2.073 427 HG13 VAL 136 3HG1 VAL 136 -2.535 3.431 -0.394 428 HG21 VAL 136 3HG2 VAL 136 0.334 3.230 -2.460 429 HG22 VAL 136 1HG2 VAL 136 1.131 4.737 -2.011 430 HG23 VAL 136 2HG2 VAL 136 -0.211 4.755 -3.156 431 H ASN 137 H ASN 137 -3.559 7.029 -1.480 432 HA ASN 137 HA ASN 137 -4.372 6.942 1.333 433 HB2 ASN 137 2HB ASN 137 -6.262 8.326 0.592 434 HB3 ASN 137 1HB ASN 137 -4.738 9.020 0.049 435 HD21 ASN 137 1HD2 ASN 137 -6.008 10.110 -1.696 436 HD22 ASN 137 2HD2 ASN 137 -6.451 9.227 -3.076 437 H TYR 138 H TYR 138 -6.740 6.296 1.736 438 HA TYR 138 HA TYR 138 -7.075 3.596 1.173 439 HB2 TYR 138 2HB TYR 138 -8.215 4.734 3.018 440 HB3 TYR 138 1HB TYR 138 -9.204 5.616 1.859 441 HD1 TYR 138 1HD TYR 138 -8.445 2.257 3.226 442 HD2 TYR 138 2HD TYR 138 -11.048 4.586 0.729 443 HE1 TYR 138 1HE TYR 138 -10.042 0.369 3.126 444 HE2 TYR 138 2HE TYR 138 -12.648 2.696 0.633 445 HH TYR 138 HH TYR 138 -12.962 0.453 2.548 446 H GLU 139 H GLU 139 -8.615 6.411 -0.446 447 HA GLU 139 HA GLU 139 -10.262 4.962 -2.185 448 HB2 GLU 139 2HB GLU 139 -10.245 7.468 -1.776 449 HB3 GLU 139 1HB GLU 139 -8.874 7.549 -2.880 450 HG2 GLU 139 2HG GLU 139 -10.792 7.973 -4.223 451 HG3 GLU 139 1HG GLU 139 -10.331 6.307 -4.568 452 H GLU 140 H GLU 140 -6.914 6.009 -2.658 453 HA GLU 140 HA GLU 140 -6.761 4.816 -5.250 454 HB2 GLU 140 2HB GLU 140 -4.565 5.719 -3.370 455 HB3 GLU 140 1HB GLU 140 -4.316 5.223 -5.033 456 HG2 GLU 140 2HG GLU 140 -5.305 7.102 -5.907 457 HG3 GLU 140 1HG GLU 140 -6.376 7.290 -4.534 458 H PHE 141 H PHE 141 -6.069 3.753 -1.957 459 HA PHE 141 HA PHE 141 -4.641 1.405 -2.652 460 HB2 PHE 141 2HB PHE 141 -4.742 2.395 -0.354 461 HB3 PHE 141 1HB PHE 141 -6.412 1.851 -0.239 462 HD1 PHE 141 2HD PHE 141 -2.948 0.604 -0.926 463 HD2 PHE 141 1HD PHE 141 -6.892 -0.324 0.515 464 HE1 PHE 141 2HE PHE 141 -2.164 -1.636 -0.221 465 HE2 PHE 141 1HE PHE 141 -6.103 -2.571 1.213 466 HZ PHE 141 HZ PHE 141 -3.739 -3.225 0.845 467 H VAL 142 H VAL 142 -8.062 1.873 -1.738 468 HA VAL 142 HA VAL 142 -8.865 -0.767 -2.271 469 HB VAL 142 HB VAL 142 -10.200 0.943 -1.010 470 HG11 VAL 142 1HG1 VAL 142 -9.791 2.756 -2.716 471 HG12 VAL 142 2HG1 VAL 142 -11.464 2.610 -2.188 472 HG13 VAL 142 3HG1 VAL 142 -10.973 1.962 -3.751 473 HG21 VAL 142 3HG2 VAL 142 -11.709 -0.252 -3.356 474 HG22 VAL 142 1HG2 VAL 142 -12.357 0.147 -1.766 475 HG23 VAL 142 2HG2 VAL 142 -11.203 -1.174 -1.943 476 H LYS 143 H LYS 143 -8.825 2.117 -4.302 477 HA LYS 143 HA LYS 143 -10.014 1.019 -6.609 478 HB2 LYS 143 2HB LYS 143 -9.602 3.425 -6.222 479 HB3 LYS 143 1HB LYS 143 -7.882 3.146 -6.396 480 HG2 LYS 143 2HG LYS 143 -8.206 2.355 -8.694 481 HG3 LYS 143 1HG LYS 143 -9.952 2.546 -8.530 482 HD2 LYS 143 2HD LYS 143 -9.645 4.971 -8.148 483 HD3 LYS 143 1HD LYS 143 -7.903 4.775 -8.342 484 HE2 LYS 143 2HE LYS 143 -9.919 4.003 -10.466 485 HE3 LYS 143 1HE LYS 143 -9.088 5.557 -10.428 486 HZ1 LYS 143 3HZ LYS 143 -8.164 3.197 -11.517 487 HZ2 LYS 143 1HZ LYS 143 -7.244 3.431 -10.111 488 HZ3 LYS 143 2HZ LYS 143 -7.292 4.640 -11.304 489 H MET 144 H MET 144 -6.576 1.362 -5.717 490 HA MET 144 HA MET 144 -5.520 -0.012 -7.959 491 HB2 MET 144 2HB MET 144 -4.248 1.356 -6.206 492 HB3 MET 144 1HB MET 144 -4.319 -0.041 -5.179 493 HG2 MET 144 2HG MET 144 -3.253 -0.352 -7.970 494 HG3 MET 144 1HG MET 144 -2.212 0.306 -6.710 495 HE1 MET 144 3HE MET 144 -3.101 -1.601 -3.927 496 HE2 MET 144 1HE MET 144 -1.879 -0.517 -4.605 497 HE3 MET 144 2HE MET 144 -1.482 -2.201 -4.273 498 H MET 145 H MET 145 -6.720 -1.057 -4.836 499 HA MET 145 HA MET 145 -5.844 -3.737 -5.075 500 HB2 MET 145 2HB MET 145 -6.465 -2.730 -2.899 501 HB3 MET 145 1HB MET 145 -8.143 -2.658 -3.430 502 HG2 MET 145 2HG MET 145 -7.883 -4.655 -2.088 503 HG3 MET 145 1HG MET 145 -8.072 -5.161 -3.763 504 HE1 MET 145 3HE MET 145 -5.928 -4.264 -0.937 505 HE2 MET 145 1HE MET 145 -4.599 -3.716 -1.966 506 HE3 MET 145 2HE MET 145 -4.447 -5.211 -1.049 507 H MET 146 H MET 146 -8.845 -2.045 -5.917 508 HA MET 146 HA MET 146 -10.345 -4.312 -6.645 509 HB2 MET 146 2HB MET 146 -10.777 -1.569 -6.555 510 HB3 MET 146 1HB MET 146 -10.861 -1.933 -8.279 511 HG2 MET 146 2HG MET 146 -12.414 -3.866 -7.639 512 HG3 MET 146 1HG MET 146 -12.516 -3.124 -6.047 513 HE1 MET 146 3HE MET 146 -14.103 -3.328 -9.472 514 HE2 MET 146 1HE MET 146 -12.587 -2.473 -9.786 515 HE3 MET 146 2HE MET 146 -14.130 -1.664 -10.050 516 H THR 147 H THR 147 -7.924 -2.418 -8.334 517 HA THR 147 HA THR 147 -8.382 -3.297 -10.953 518 HB THR 147 HB THR 147 -5.646 -2.769 -9.761 519 HG1 THR 147 1HG THR 147 -6.369 -0.864 -9.353 520 HG21 THR 147 3HG2 THR 147 -5.623 -3.577 -12.060 521 HG22 THR 147 1HG2 THR 147 -5.229 -1.857 -12.043 522 HG23 THR 147 2HG2 THR 147 -6.842 -2.388 -12.517 523 H VAL 148 H VAL 148 -5.674 -4.464 -8.951 524 HA VAL 148 HA VAL 148 -5.309 -6.840 -10.432 525 HB VAL 148 HB VAL 148 -4.472 -6.071 -7.631 526 HG11 VAL 148 1HG1 VAL 148 -3.837 -8.513 -9.302 527 HG12 VAL 148 2HG1 VAL 148 -4.452 -8.461 -7.650 528 HG13 VAL 148 3HG1 VAL 148 -2.791 -7.971 -7.989 529 HG21 VAL 148 3HG2 VAL 148 -3.470 -4.717 -9.399 530 HG22 VAL 148 1HG2 VAL 148 -3.030 -6.167 -10.301 531 HG23 VAL 148 2HG2 VAL 148 -2.253 -5.819 -8.757 532 H ARG 149 H ARG 149 -7.040 -6.231 -7.381 533 HA ARG 149 HA ARG 149 -8.113 -8.972 -7.521 534 HB2 ARG 149 2HB ARG 149 -8.297 -6.962 -5.264 535 HB3 ARG 149 1HB ARG 149 -8.785 -8.652 -5.203 536 HG2 ARG 149 2HG ARG 149 -5.958 -7.888 -5.941 537 HG3 ARG 149 1HG ARG 149 -6.448 -8.031 -4.254 538 HD2 ARG 149 2HD ARG 149 -6.647 -10.191 -6.366 539 HD3 ARG 149 1HD ARG 149 -5.517 -10.153 -5.021 540 HE ARG 149 HE ARG 149 -8.014 -9.990 -3.862 541 HH11 ARG 149 1HH2 ARG 149 -6.349 -12.096 -6.020 542 HH12 ARG 149 2HH2 ARG 149 -7.183 -13.525 -5.508 543 HH21 ARG 149 1HH1 ARG 149 -9.127 -11.856 -3.167 544 HH22 ARG 149 2HH1 ARG 149 -8.761 -13.388 -3.887 Start of MODEL 10 1 H1 ASP 80 1HT ASP 80 -19.063 -7.372 4.148 2 H2 ASP 80 2HT ASP 80 -18.761 -6.206 5.346 3 H3 ASP 80 3HT ASP 80 -19.695 -7.578 5.709 4 HA ASP 80 HA ASP 80 -17.490 -7.821 6.621 5 HB2 ASP 80 2HB ASP 80 -18.174 -9.566 4.250 6 HB3 ASP 80 1HB ASP 80 -16.876 -9.941 5.380 7 H ALA 81 H ALA 81 -17.388 -7.604 3.047 8 HA ALA 81 HA ALA 81 -14.615 -7.504 2.752 9 HB1 ALA 81 1HB ALA 81 -16.486 -7.515 0.944 10 HB2 ALA 81 2HB ALA 81 -14.995 -6.641 0.594 11 HB3 ALA 81 3HB ALA 81 -16.439 -5.757 1.093 12 H GLU 82 H GLU 82 -16.889 -4.784 3.269 13 HA GLU 82 HA GLU 82 -14.951 -2.756 3.292 14 HB2 GLU 82 2HB GLU 82 -17.460 -2.455 3.168 15 HB3 GLU 82 1HB GLU 82 -17.511 -2.766 4.904 16 HG2 GLU 82 2HG GLU 82 -17.389 -0.398 4.639 17 HG3 GLU 82 1HG GLU 82 -15.802 -0.928 5.172 18 H GLU 83 H GLU 83 -15.954 -5.042 5.737 19 HA GLU 83 HA GLU 83 -14.632 -3.669 7.916 20 HB2 GLU 83 2HB GLU 83 -16.511 -5.274 8.276 21 HB3 GLU 83 1HB GLU 83 -15.447 -6.580 7.747 22 HG2 GLU 83 2HG GLU 83 -13.878 -6.062 9.562 23 HG3 GLU 83 1HG GLU 83 -14.898 -4.718 10.077 24 H GLU 84 H GLU 84 -13.948 -6.819 6.356 25 HA GLU 84 HA GLU 84 -11.396 -7.223 7.261 26 HB2 GLU 84 2HB GLU 84 -12.623 -8.814 5.812 27 HB3 GLU 84 1HB GLU 84 -12.342 -7.757 4.430 28 HG2 GLU 84 2HG GLU 84 -9.917 -8.008 4.701 29 HG3 GLU 84 1HG GLU 84 -10.174 -9.005 6.124 30 H LEU 85 H LEU 85 -12.319 -5.242 4.410 31 HA LEU 85 HA LEU 85 -9.699 -4.556 3.670 32 HB2 LEU 85 2HB LEU 85 -11.977 -4.138 2.453 33 HB3 LEU 85 1HB LEU 85 -12.003 -2.632 3.364 34 HG LEU 85 HG LEU 85 -9.681 -3.520 1.624 35 HD11 LEU 85 1HD1 LEU 85 -11.840 -1.492 1.008 36 HD12 LEU 85 2HD1 LEU 85 -11.764 -3.114 0.321 37 HD13 LEU 85 3HD1 LEU 85 -10.492 -1.944 -0.035 38 HD21 LEU 85 3HD2 LEU 85 -10.251 -1.135 3.352 39 HD22 LEU 85 1HD2 LEU 85 -9.427 -0.840 1.825 40 HD23 LEU 85 2HD2 LEU 85 -8.716 -1.929 3.002 41 H LYS 86 H LYS 86 -11.986 -2.895 5.858 42 HA LYS 86 HA LYS 86 -10.321 -0.699 6.441 43 HB2 LYS 86 2HB LYS 86 -12.566 -2.049 7.919 44 HB3 LYS 86 1HB LYS 86 -11.672 -0.725 8.664 45 HG2 LYS 86 2HG LYS 86 -12.241 0.770 6.851 46 HG3 LYS 86 1HG LYS 86 -12.960 -0.539 5.927 47 HD2 LYS 86 2HD LYS 86 -14.801 0.587 6.937 48 HD3 LYS 86 1HD LYS 86 -14.560 -0.864 7.908 49 HE2 LYS 86 2HE LYS 86 -13.456 0.353 9.638 50 HE3 LYS 86 1HE LYS 86 -13.276 1.781 8.621 51 HZ1 LYS 86 3HZ LYS 86 -15.160 1.682 10.355 52 HZ2 LYS 86 1HZ LYS 86 -15.955 0.726 9.203 53 HZ3 LYS 86 2HZ LYS 86 -15.483 2.311 8.810 54 H GLU 87 H GLU 87 -10.505 -3.939 7.879 55 HA GLU 87 HA GLU 87 -8.675 -3.395 9.996 56 HB2 GLU 87 2HB GLU 87 -10.243 -5.318 10.001 57 HB3 GLU 87 1HB GLU 87 -9.332 -6.038 8.671 58 HG2 GLU 87 2HG GLU 87 -7.324 -6.130 10.053 59 HG3 GLU 87 1HG GLU 87 -8.162 -5.318 11.372 60 H ALA 88 H ALA 88 -8.289 -4.993 6.820 61 HA ALA 88 HA ALA 88 -5.551 -5.498 6.989 62 HB1 ALA 88 1HB ALA 88 -6.614 -6.475 5.144 63 HB2 ALA 88 2HB ALA 88 -5.677 -5.182 4.403 64 HB3 ALA 88 3HB ALA 88 -7.402 -4.969 4.679 65 H PHE 89 H PHE 89 -7.208 -2.621 5.661 66 HA PHE 89 HA PHE 89 -4.936 -1.147 4.994 67 HB2 PHE 89 2HB PHE 89 -7.203 -0.477 4.331 68 HB3 PHE 89 1HB PHE 89 -7.592 -0.129 6.018 69 HD1 PHE 89 1HD PHE 89 -6.367 1.706 7.226 70 HD2 PHE 89 2HD PHE 89 -5.925 1.062 3.007 71 HE1 PHE 89 1HE PHE 89 -5.385 3.967 6.982 72 HE2 PHE 89 2HE PHE 89 -4.956 3.323 2.760 73 HZ PHE 89 HZ PHE 89 -4.677 4.767 4.748 74 H LYS 90 H LYS 90 -6.707 -1.344 8.072 75 HA LYS 90 HA LYS 90 -5.218 0.582 9.471 76 HB2 LYS 90 2HB LYS 90 -7.354 -0.413 10.269 77 HB3 LYS 90 1HB LYS 90 -6.501 -1.922 10.592 78 HG2 LYS 90 2HG LYS 90 -5.008 -0.751 12.168 79 HG3 LYS 90 1HG LYS 90 -5.849 0.766 11.839 80 HD2 LYS 90 2HD LYS 90 -7.953 -0.214 12.677 81 HD3 LYS 90 1HD LYS 90 -7.114 -1.730 13.008 82 HE2 LYS 90 2HE LYS 90 -7.275 -0.424 15.068 83 HE3 LYS 90 1HE LYS 90 -5.590 -0.512 14.556 84 HZ1 LYS 90 3HZ LYS 90 -6.689 1.757 15.207 85 HZ2 LYS 90 1HZ LYS 90 -7.220 1.723 13.597 86 HZ3 LYS 90 2HZ LYS 90 -5.558 1.665 13.943 87 H VAL 91 H VAL 91 -4.547 -2.807 8.753 88 HA VAL 91 HA VAL 91 -2.388 -3.061 10.608 89 HB VAL 91 HB VAL 91 -3.092 -4.645 8.130 90 HG11 VAL 91 1HG1 VAL 91 -0.749 -4.977 8.484 91 HG12 VAL 91 2HG1 VAL 91 -1.549 -6.360 9.232 92 HG13 VAL 91 3HG1 VAL 91 -0.952 -5.037 10.234 93 HG21 VAL 91 3HG2 VAL 91 -4.631 -4.610 10.193 94 HG22 VAL 91 1HG2 VAL 91 -3.322 -5.432 11.043 95 HG23 VAL 91 2HG2 VAL 91 -4.083 -6.193 9.646 96 H PHE 92 H PHE 92 -2.554 -2.315 7.139 97 HA PHE 92 HA PHE 92 0.260 -2.150 6.748 98 HB2 PHE 92 2HB PHE 92 -1.734 -0.527 5.175 99 HB3 PHE 92 1HB PHE 92 -0.199 -1.205 4.636 100 HD1 PHE 92 1HD PHE 92 -0.525 -3.986 5.890 101 HD2 PHE 92 2HD PHE 92 -3.188 -1.536 3.580 102 HE1 PHE 92 1HE PHE 92 -1.690 -6.000 5.118 103 HE2 PHE 92 2HE PHE 92 -4.370 -3.565 2.815 104 HZ PHE 92 HZ PHE 92 -3.615 -5.805 3.571 105 H ASP 93 H ASP 93 -2.135 0.173 7.825 106 HA ASP 93 HA ASP 93 -0.405 2.427 7.616 107 HB2 ASP 93 2HB ASP 93 -2.996 2.357 7.811 108 HB3 ASP 93 1HB ASP 93 -2.717 2.248 9.546 109 H LYS 94 H LYS 94 1.387 0.958 8.693 110 HA LYS 94 HA LYS 94 1.472 0.313 11.362 111 HB2 LYS 94 2HB LYS 94 3.308 0.030 9.595 112 HB3 LYS 94 1HB LYS 94 3.802 1.671 10.008 113 HG2 LYS 94 2HG LYS 94 4.146 1.029 12.336 114 HG3 LYS 94 1HG LYS 94 3.540 -0.595 12.007 115 HD2 LYS 94 2HD LYS 94 5.396 -1.007 10.463 116 HD3 LYS 94 1HD LYS 94 5.985 0.638 10.702 117 HE2 LYS 94 2HE LYS 94 7.258 -0.935 12.099 118 HE3 LYS 94 1HE LYS 94 6.315 0.160 13.110 119 HZ1 LYS 94 3HZ LYS 94 5.619 -2.630 12.374 120 HZ2 LYS 94 1HZ LYS 94 4.580 -1.577 13.203 121 HZ3 LYS 94 2HZ LYS 94 6.046 -2.057 13.915 122 H ASP 95 H ASP 95 2.195 3.514 9.953 123 HA ASP 95 HA ASP 95 2.619 4.732 12.516 124 HB2 ASP 95 2HB ASP 95 2.797 6.803 11.293 125 HB3 ASP 95 1HB ASP 95 3.624 5.553 10.364 126 H GLN 96 H GLN 96 -0.116 3.615 11.044 127 HA GLN 96 HA GLN 96 -2.371 4.063 11.264 128 HB2 GLN 96 2HB GLN 96 -1.332 5.066 13.926 129 HB3 GLN 96 1HB GLN 96 -3.036 4.804 13.559 130 HG2 GLN 96 2HG GLN 96 -2.631 2.432 13.154 131 HG3 GLN 96 1HG GLN 96 -0.897 2.661 13.377 132 HE21 GLN 96 1HE2 GLN 96 -3.622 1.609 14.994 133 HE22 GLN 96 2HE2 GLN 96 -3.119 1.904 16.588 134 H ASN 97 H ASN 97 -0.894 6.097 9.861 135 HA ASN 97 HA ASN 97 -1.898 8.656 10.874 136 HB2 ASN 97 2HB ASN 97 -0.618 9.654 9.077 137 HB3 ASN 97 1HB ASN 97 0.388 8.476 9.921 138 HD21 ASN 97 1HD2 ASN 97 1.178 9.057 7.341 139 HD22 ASN 97 2HD2 ASN 97 0.783 7.780 6.296 140 H GLY 98 H GLY 98 -3.395 6.241 9.344 141 HA2 GLY 98 2HA GLY 98 -5.467 6.259 8.290 142 HA3 GLY 98 1HA GLY 98 -5.353 8.009 8.152 143 H TYR 99 H TYR 99 -2.478 7.072 7.005 144 HA TYR 99 HA TYR 99 -3.447 6.641 4.222 145 HB2 TYR 99 2HB TYR 99 -1.336 8.509 5.294 146 HB3 TYR 99 1HB TYR 99 -1.307 7.957 3.618 147 HD1 TYR 99 1HD TYR 99 -3.466 9.624 6.167 148 HD2 TYR 99 2HD TYR 99 -2.731 8.910 1.999 149 HE1 TYR 99 1HE TYR 99 -5.203 11.287 5.577 150 HE2 TYR 99 2HE TYR 99 -4.469 10.577 1.411 151 HH TYR 99 HH TYR 99 -5.906 12.086 2.172 152 H ILE 100 H ILE 100 -1.587 5.759 2.801 153 HA ILE 100 HA ILE 100 0.085 3.889 4.420 154 HB ILE 100 HB ILE 100 -1.104 3.358 1.693 155 HG12 ILE 100 2HG1 ILE 100 -1.804 2.074 4.360 156 HG13 ILE 100 1HG1 ILE 100 -2.751 3.338 3.592 157 HG21 ILE 100 1HG2 ILE 100 -0.220 1.054 2.169 158 HG22 ILE 100 2HG2 ILE 100 0.588 1.710 3.594 159 HG23 ILE 100 3HG2 ILE 100 1.043 2.270 1.984 160 HD11 ILE 100 3HD1 ILE 100 -3.333 1.959 1.765 161 HD12 ILE 100 1HD1 ILE 100 -3.442 0.878 3.156 162 HD13 ILE 100 2HD1 ILE 100 -2.036 0.815 2.101 163 H SER 101 H SER 101 2.206 4.004 4.075 164 HA SER 101 HA SER 101 3.166 5.758 1.867 165 HB2 SER 101 2HB SER 101 5.157 6.103 3.191 166 HB3 SER 101 1HB SER 101 3.755 6.380 4.221 167 HG SER 101 HG SER 101 5.738 4.652 4.560 168 H ALA 102 H ALA 102 5.049 5.110 0.653 169 HA ALA 102 HA ALA 102 4.994 2.514 -0.330 170 HB1 ALA 102 1HB ALA 102 7.052 2.995 -1.438 171 HB2 ALA 102 2HB ALA 102 7.503 4.195 -0.227 172 HB3 ALA 102 3HB ALA 102 6.176 4.522 -1.342 173 H SER 103 H SER 103 6.923 3.849 2.342 174 HA SER 103 HA SER 103 8.545 1.593 2.796 175 HB2 SER 103 2HB SER 103 8.856 2.509 5.060 176 HB3 SER 103 1HB SER 103 8.997 3.762 3.830 177 HG SER 103 HG SER 103 7.104 3.391 5.800 178 H GLU 104 H GLU 104 5.314 2.432 4.099 179 HA GLU 104 HA GLU 104 5.141 0.141 5.749 180 HB2 GLU 104 2HB GLU 104 3.051 2.003 4.608 181 HB3 GLU 104 1HB GLU 104 2.690 0.713 5.725 182 HG2 GLU 104 2HG GLU 104 4.224 1.683 7.377 183 HG3 GLU 104 1HG GLU 104 4.604 2.981 6.260 184 H LEU 105 H LEU 105 4.100 0.850 2.418 185 HA LEU 105 HA LEU 105 2.682 -1.569 2.016 186 HB2 LEU 105 2HB LEU 105 2.351 0.329 0.523 187 HB3 LEU 105 1HB LEU 105 4.042 0.277 0.036 188 HG LEU 105 HG LEU 105 3.732 -1.897 -1.017 189 HD11 LEU 105 1HD1 LEU 105 1.016 -1.737 0.277 190 HD12 LEU 105 2HD1 LEU 105 2.184 -3.061 0.301 191 HD13 LEU 105 3HD1 LEU 105 1.264 -2.726 -1.164 192 HD21 LEU 105 3HD2 LEU 105 1.902 -1.269 -2.705 193 HD22 LEU 105 1HD2 LEU 105 3.221 -0.112 -2.522 194 HD23 LEU 105 2HD2 LEU 105 1.662 0.194 -1.752 195 H ARG 106 H ARG 106 6.038 -0.643 1.411 196 HA ARG 106 HA ARG 106 6.802 -3.044 0.121 197 HB2 ARG 106 2HB ARG 106 8.897 -2.126 0.055 198 HB3 ARG 106 1HB ARG 106 8.060 -0.678 0.614 199 HG2 ARG 106 2HG ARG 106 8.517 -1.347 2.948 200 HG3 ARG 106 1HG ARG 106 9.422 -2.739 2.375 201 HD2 ARG 106 2HD ARG 106 10.968 -1.255 1.223 202 HD3 ARG 106 1HD ARG 106 10.067 0.141 1.803 203 HE ARG 106 HE ARG 106 10.934 -1.623 3.924 204 HH11 ARG 106 1HH2 ARG 106 11.718 0.989 1.818 205 HH12 ARG 106 2HH2 ARG 106 12.938 1.652 2.853 206 HH21 ARG 106 1HH1 ARG 106 12.538 -0.772 5.305 207 HH22 ARG 106 2HH1 ARG 106 13.404 0.652 4.833 208 H HIS 107 H HIS 107 6.942 -2.074 3.546 209 HA HIS 107 HA HIS 107 8.148 -4.400 4.541 210 HB2 HIS 107 2HB HIS 107 7.760 -2.325 5.869 211 HB3 HIS 107 1HB HIS 107 6.041 -2.715 5.920 212 HD1 HIS 107 1HD HIS 107 5.482 -3.741 8.112 213 HD2 HIS 107 2HD HIS 107 9.232 -4.971 6.770 214 HE1 HIS 107 1HE HIS 107 6.357 -5.380 9.834 215 HE2 HIS 107 2HE HIS 107 8.643 -6.140 9.029 216 H VAL 108 H VAL 108 4.732 -3.637 3.937 217 HA VAL 108 HA VAL 108 3.700 -6.089 4.923 218 HB VAL 108 HB VAL 108 2.603 -4.146 2.879 219 HG11 VAL 108 1HG1 VAL 108 1.498 -6.213 2.446 220 HG12 VAL 108 2HG1 VAL 108 0.407 -5.323 3.510 221 HG13 VAL 108 3HG1 VAL 108 1.416 -6.615 4.161 222 HG21 VAL 108 3HG2 VAL 108 2.978 -3.465 5.342 223 HG22 VAL 108 1HG2 VAL 108 1.706 -4.623 5.727 224 HG23 VAL 108 2HG2 VAL 108 1.354 -3.240 4.689 225 H MET 109 H MET 109 4.715 -5.043 1.669 226 HA MET 109 HA MET 109 3.970 -7.395 0.310 227 HB2 MET 109 2HB MET 109 6.031 -5.258 -0.206 228 HB3 MET 109 1HB MET 109 5.895 -6.655 -1.275 229 HG2 MET 109 2HG MET 109 3.544 -4.888 -0.549 230 HG3 MET 109 1HG MET 109 4.534 -4.638 -1.985 231 HE1 MET 109 3HE MET 109 1.427 -5.137 -1.623 232 HE2 MET 109 1HE MET 109 0.997 -6.222 -2.953 233 HE3 MET 109 2HE MET 109 2.056 -4.843 -3.243 234 H ILE 110 H ILE 110 6.985 -6.519 1.993 235 HA ILE 110 HA ILE 110 8.412 -8.871 1.292 236 HB ILE 110 HB ILE 110 8.678 -7.006 3.662 237 HG12 ILE 110 2HG1 ILE 110 10.404 -7.316 1.189 238 HG13 ILE 110 1HG1 ILE 110 9.096 -6.139 1.311 239 HG21 ILE 110 1HG2 ILE 110 10.985 -8.059 3.816 240 HG22 ILE 110 2HG2 ILE 110 10.402 -9.316 2.724 241 HG23 ILE 110 3HG2 ILE 110 9.662 -9.110 4.312 242 HD11 ILE 110 3HD1 ILE 110 10.160 -5.032 3.165 243 HD12 ILE 110 1HD1 ILE 110 11.382 -5.233 1.910 244 HD13 ILE 110 2HD1 ILE 110 11.367 -6.310 3.306 245 H ASN 111 H ASN 111 6.360 -8.045 4.080 246 HA ASN 111 HA ASN 111 6.706 -10.488 5.463 247 HB2 ASN 111 2HB ASN 111 5.772 -8.605 6.620 248 HB3 ASN 111 1HB ASN 111 4.433 -8.493 5.489 249 HD21 ASN 111 1HD2 ASN 111 5.841 -11.374 7.154 250 HD22 ASN 111 2HD2 ASN 111 4.383 -11.841 7.889 251 H LEU 112 H LEU 112 4.608 -9.509 2.836 252 HA LEU 112 HA LEU 112 2.957 -11.859 2.959 253 HB2 LEU 112 2HB LEU 112 3.308 -9.651 0.934 254 HB3 LEU 112 1HB LEU 112 2.297 -11.043 0.607 255 HG LEU 112 HG LEU 112 1.981 -9.318 3.080 256 HD11 LEU 112 1HD1 LEU 112 0.189 -8.145 1.963 257 HD12 LEU 112 2HD1 LEU 112 0.334 -9.176 0.537 258 HD13 LEU 112 3HD1 LEU 112 1.617 -8.032 0.933 259 HD21 LEU 112 3HD2 LEU 112 0.460 -11.595 1.822 260 HD22 LEU 112 1HD2 LEU 112 -0.425 -10.383 2.742 261 HD23 LEU 112 2HD2 LEU 112 0.848 -11.308 3.517 262 H GLY 113 H GLY 113 6.096 -11.465 2.108 263 HA2 GLY 113 2HA GLY 113 7.544 -13.104 1.242 264 HA3 GLY 113 1HA GLY 113 6.138 -14.007 0.686 265 H GLU 114 H GLU 114 5.952 -10.733 -0.152 266 HA GLU 114 HA GLU 114 6.783 -11.338 -2.938 267 HB2 GLU 114 2HB GLU 114 4.839 -9.297 -1.823 268 HB3 GLU 114 1HB GLU 114 5.322 -9.385 -3.517 269 HG2 GLU 114 2HG GLU 114 4.431 -11.656 -3.686 270 HG3 GLU 114 1HG GLU 114 4.022 -11.648 -1.971 271 H LYS 115 H LYS 115 8.583 -10.343 -3.653 272 HA LYS 115 HA LYS 115 9.455 -7.825 -2.329 273 HB2 LYS 115 2HB LYS 115 11.808 -8.913 -3.230 274 HB3 LYS 115 1HB LYS 115 11.199 -9.110 -1.588 275 HG2 LYS 115 2HG LYS 115 11.749 -11.299 -2.436 276 HG3 LYS 115 1HG LYS 115 10.003 -11.192 -2.363 277 HD2 LYS 115 2HD LYS 115 9.853 -10.767 -4.731 278 HD3 LYS 115 1HD LYS 115 11.604 -10.606 -4.860 279 HE2 LYS 115 2HE LYS 115 11.872 -12.958 -4.218 280 HE3 LYS 115 1HE LYS 115 10.125 -13.120 -4.028 281 HZ1 LYS 115 3HZ LYS 115 10.124 -12.232 -6.460 282 HZ2 LYS 115 1HZ LYS 115 10.417 -13.875 -6.152 283 HZ3 LYS 115 2HZ LYS 115 11.715 -12.829 -6.478 284 H LEU 116 H LEU 116 8.896 -6.335 -3.843 285 HA LEU 116 HA LEU 116 9.650 -6.847 -6.661 286 HB2 LEU 116 2HB LEU 116 7.831 -4.699 -5.532 287 HB3 LEU 116 1HB LEU 116 8.102 -5.062 -7.230 288 HG LEU 116 HG LEU 116 7.355 -7.533 -6.396 289 HD11 LEU 116 1HD1 LEU 116 7.016 -6.806 -4.059 290 HD12 LEU 116 2HD1 LEU 116 5.493 -7.302 -4.786 291 HD13 LEU 116 3HD1 LEU 116 5.864 -5.588 -4.601 292 HD21 LEU 116 3HD2 LEU 116 5.518 -5.225 -7.103 293 HD22 LEU 116 1HD2 LEU 116 5.054 -6.925 -7.161 294 HD23 LEU 116 2HD2 LEU 116 6.315 -6.318 -8.235 295 H THR 117 H THR 117 10.765 -5.146 -7.834 296 HA THR 117 HA THR 117 12.857 -3.946 -6.320 297 HB THR 117 HB THR 117 13.497 -2.871 -8.430 298 HG1 THR 117 1HG THR 117 11.386 -4.015 -9.797 299 HG21 THR 117 3HG2 THR 117 13.862 -4.867 -9.720 300 HG22 THR 117 1HG2 THR 117 12.465 -5.660 -8.994 301 HG23 THR 117 2HG2 THR 117 13.900 -5.337 -8.021 302 H ASP 118 H ASP 118 13.296 -1.547 -6.264 303 HA ASP 118 HA ASP 118 11.130 -0.171 -5.081 304 HB2 ASP 118 2HB ASP 118 13.457 0.380 -4.568 305 HB3 ASP 118 1HB ASP 118 13.704 0.938 -6.222 306 H GLU 119 H GLU 119 12.462 -0.102 -8.366 307 HA GLU 119 HA GLU 119 11.039 2.093 -9.350 308 HB2 GLU 119 2HB GLU 119 11.947 -0.435 -10.737 309 HB3 GLU 119 1HB GLU 119 11.271 0.958 -11.583 310 HG2 GLU 119 2HG GLU 119 13.047 2.393 -10.679 311 HG3 GLU 119 1HG GLU 119 13.704 1.028 -9.774 312 H GLU 120 H GLU 120 10.019 -1.260 -8.843 313 HA GLU 120 HA GLU 120 7.527 -0.938 -10.237 314 HB2 GLU 120 2HB GLU 120 8.486 -3.008 -8.243 315 HB3 GLU 120 1HB GLU 120 6.947 -3.100 -9.101 316 HG2 GLU 120 2HG GLU 120 9.652 -2.904 -10.451 317 HG3 GLU 120 1HG GLU 120 8.766 -4.411 -10.210 318 H VAL 121 H VAL 121 8.485 -0.997 -6.801 319 HA VAL 121 HA VAL 121 5.879 -0.477 -5.802 320 HB VAL 121 HB VAL 121 8.614 -0.008 -4.594 321 HG11 VAL 121 1HG1 VAL 121 7.174 1.494 -3.436 322 HG12 VAL 121 2HG1 VAL 121 7.229 0.049 -2.427 323 HG13 VAL 121 3HG1 VAL 121 5.833 0.350 -3.462 324 HG21 VAL 121 3HG2 VAL 121 7.994 -2.018 -3.269 325 HG22 VAL 121 1HG2 VAL 121 8.034 -2.362 -4.998 326 HG23 VAL 121 2HG2 VAL 121 6.488 -2.136 -4.179 327 H GLU 122 H GLU 122 8.619 1.657 -6.597 328 HA GLU 122 HA GLU 122 7.377 4.057 -5.758 329 HB2 GLU 122 2HB GLU 122 9.827 3.767 -6.246 330 HB3 GLU 122 1HB GLU 122 9.427 3.752 -7.963 331 HG2 GLU 122 2HG GLU 122 10.042 6.010 -7.398 332 HG3 GLU 122 1HG GLU 122 8.294 5.992 -7.622 333 H GLN 123 H GLN 123 7.346 2.281 -8.816 334 HA GLN 123 HA GLN 123 5.926 4.309 -10.261 335 HB2 GLN 123 2HB GLN 123 7.279 2.582 -11.398 336 HB3 GLN 123 1HB GLN 123 6.156 1.343 -10.838 337 HG2 GLN 123 2HG GLN 123 4.330 2.380 -12.081 338 HG3 GLN 123 1HG GLN 123 5.375 3.716 -12.560 339 HE21 GLN 123 1HE2 GLN 123 4.100 2.063 -14.519 340 HE22 GLN 123 2HE2 GLN 123 5.298 1.171 -15.324 341 H MET 124 H MET 124 4.949 1.359 -8.509 342 HA MET 124 HA MET 124 2.223 1.476 -9.211 343 HB2 MET 124 2HB MET 124 3.322 -0.529 -8.270 344 HB3 MET 124 1HB MET 124 3.515 0.316 -6.735 345 HG2 MET 124 2HG MET 124 1.148 0.462 -6.423 346 HG3 MET 124 1HG MET 124 0.839 -0.082 -8.070 347 HE1 MET 124 3HE MET 124 2.602 -0.745 -4.874 348 HE2 MET 124 1HE MET 124 3.705 -1.817 -5.749 349 HE3 MET 124 2HE MET 124 2.560 -2.484 -4.589 350 H ILE 125 H ILE 125 4.060 2.832 -6.483 351 HA ILE 125 HA ILE 125 1.820 3.876 -5.091 352 HB ILE 125 HB ILE 125 4.722 4.745 -5.164 353 HG12 ILE 125 2HG1 ILE 125 3.909 2.390 -4.277 354 HG13 ILE 125 1HG1 ILE 125 5.070 3.320 -3.338 355 HG21 ILE 125 1HG2 ILE 125 2.402 5.649 -3.453 356 HG22 ILE 125 2HG2 ILE 125 3.536 6.644 -4.363 357 HG23 ILE 125 3HG2 ILE 125 4.070 5.803 -2.906 358 HD11 ILE 125 3HD1 ILE 125 3.040 2.309 -2.087 359 HD12 ILE 125 1HD1 ILE 125 2.111 3.589 -2.851 360 HD13 ILE 125 2HD1 ILE 125 3.433 4.000 -1.775 361 H LYS 126 H LYS 126 4.018 5.262 -7.468 362 HA LYS 126 HA LYS 126 2.802 7.827 -7.569 363 HB2 LYS 126 2HB LYS 126 4.473 6.376 -9.591 364 HB3 LYS 126 1HB LYS 126 4.022 8.065 -9.716 365 HG2 LYS 126 2HG LYS 126 5.332 7.064 -7.198 366 HG3 LYS 126 1HG LYS 126 6.330 7.406 -8.611 367 HD2 LYS 126 2HD LYS 126 5.391 9.695 -8.711 368 HD3 LYS 126 1HD LYS 126 4.430 9.361 -7.276 369 HE2 LYS 126 2HE LYS 126 6.495 8.917 -5.997 370 HE3 LYS 126 1HE LYS 126 7.450 9.302 -7.430 371 HZ1 LYS 126 3HZ LYS 126 7.291 11.220 -6.012 372 HZ2 LYS 126 1HZ LYS 126 5.599 11.131 -6.000 373 HZ3 LYS 126 2HZ LYS 126 6.417 11.511 -7.439 374 H GLU 127 H GLU 127 2.346 4.889 -9.445 375 HA GLU 127 HA GLU 127 0.439 6.039 -11.248 376 HB2 GLU 127 2HB GLU 127 1.849 4.003 -11.675 377 HB3 GLU 127 1HB GLU 127 0.775 3.131 -10.597 378 HG2 GLU 127 2HG GLU 127 -0.082 2.773 -12.805 379 HG3 GLU 127 1HG GLU 127 -1.157 3.939 -12.038 380 H ALA 128 H ALA 128 0.275 4.298 -8.216 381 HA ALA 128 HA ALA 128 -2.562 3.861 -8.299 382 HB1 ALA 128 1HB ALA 128 -0.602 3.816 -6.005 383 HB2 ALA 128 2HB ALA 128 -1.239 2.443 -6.904 384 HB3 ALA 128 3HB ALA 128 -2.307 3.384 -5.854 385 H ASP 129 H ASP 129 -0.509 6.448 -7.126 386 HA ASP 129 HA ASP 129 -2.562 7.727 -5.604 387 HB2 ASP 129 2HB ASP 129 -0.066 7.987 -5.335 388 HB3 ASP 129 1HB ASP 129 -0.106 9.070 -6.709 389 H LEU 130 H LEU 130 -4.223 8.805 -6.360 390 HA LEU 130 HA LEU 130 -4.240 9.667 -9.130 391 HB2 LEU 130 2HB LEU 130 -6.244 8.569 -8.242 392 HB3 LEU 130 1HB LEU 130 -6.399 9.823 -7.013 393 HG LEU 130 HG LEU 130 -6.771 11.525 -8.736 394 HD11 LEU 130 1HD1 LEU 130 -7.134 10.533 -11.146 395 HD12 LEU 130 2HD1 LEU 130 -6.072 9.247 -10.574 396 HD13 LEU 130 3HD1 LEU 130 -5.504 10.918 -10.604 397 HD21 LEU 130 3HD2 LEU 130 -8.952 10.863 -9.408 398 HD22 LEU 130 1HD2 LEU 130 -8.655 9.985 -7.907 399 HD23 LEU 130 2HD2 LEU 130 -8.506 9.158 -9.456 400 H ASP 131 H ASP 131 -3.806 11.074 -5.996 401 HA ASP 131 HA ASP 131 -4.175 13.795 -7.092 402 HB2 ASP 131 2HB ASP 131 -4.092 14.504 -4.723 403 HB3 ASP 131 1HB ASP 131 -5.394 13.361 -5.046 404 H GLY 132 H GLY 132 -1.724 11.720 -7.117 405 HA2 GLY 132 2HA GLY 132 0.578 11.877 -6.910 406 HA3 GLY 132 1HA GLY 132 0.304 13.489 -7.562 407 H ASP 133 H ASP 133 -0.969 12.519 -4.417 408 HA ASP 133 HA ASP 133 0.369 14.715 -3.137 409 HB2 ASP 133 2HB ASP 133 -0.744 13.972 -1.124 410 HB3 ASP 133 1HB ASP 133 -1.887 13.869 -2.463 411 H GLY 134 H GLY 134 1.173 11.454 -3.792 412 HA2 GLY 134 2HA GLY 134 3.387 10.620 -3.539 413 HA3 GLY 134 1HA GLY 134 3.620 11.715 -2.179 414 H GLN 135 H GLN 135 0.650 10.668 -1.615 415 HA GLN 135 HA GLN 135 1.517 8.248 -0.139 416 HB2 GLN 135 2HB GLN 135 0.292 10.778 0.730 417 HB3 GLN 135 1HB GLN 135 -0.609 9.374 1.266 418 HG2 GLN 135 2HG GLN 135 1.271 8.456 2.387 419 HG3 GLN 135 1HG GLN 135 2.375 9.592 1.608 420 HE21 GLN 135 1HE2 GLN 135 2.408 11.816 2.413 421 HE22 GLN 135 2HE2 GLN 135 1.688 12.225 3.895 422 H VAL 136 H VAL 136 0.143 6.515 -0.151 423 HA VAL 136 HA VAL 136 -1.947 6.544 -2.167 424 HB VAL 136 HB VAL 136 -0.806 4.436 -0.330 425 HG11 VAL 136 1HG1 VAL 136 -3.123 3.861 -0.377 426 HG12 VAL 136 2HG1 VAL 136 -2.370 2.862 -1.615 427 HG13 VAL 136 3HG1 VAL 136 -3.274 4.305 -2.077 428 HG21 VAL 136 3HG2 VAL 136 -0.154 3.404 -2.439 429 HG22 VAL 136 1HG2 VAL 136 0.398 5.081 -2.413 430 HG23 VAL 136 2HG2 VAL 136 -1.030 4.638 -3.345 431 H ASN 137 H ASN 137 -4.026 7.153 -1.723 432 HA ASN 137 HA ASN 137 -4.868 7.297 1.100 433 HB2 ASN 137 2HB ASN 137 -5.137 9.288 -0.413 434 HB3 ASN 137 1HB ASN 137 -6.291 8.353 -1.358 435 HD21 ASN 137 1HD2 ASN 137 -8.200 9.521 -0.803 436 HD22 ASN 137 2HD2 ASN 137 -8.798 9.619 0.782 437 H TYR 138 H TYR 138 -7.197 6.661 1.531 438 HA TYR 138 HA TYR 138 -7.608 3.978 1.184 439 HB2 TYR 138 2HB TYR 138 -8.912 5.579 2.670 440 HB3 TYR 138 1HB TYR 138 -9.888 5.956 1.249 441 HD1 TYR 138 1HD TYR 138 -8.755 3.156 3.439 442 HD2 TYR 138 2HD TYR 138 -11.604 4.494 0.519 443 HE1 TYR 138 1HE TYR 138 -10.104 1.118 3.821 444 HE2 TYR 138 2HE TYR 138 -12.955 2.453 0.902 445 HH TYR 138 HH TYR 138 -13.234 0.784 2.925 446 H GLU 139 H GLU 139 -9.100 6.543 -0.851 447 HA GLU 139 HA GLU 139 -10.431 4.806 -2.613 448 HB2 GLU 139 2HB GLU 139 -10.831 7.250 -2.468 449 HB3 GLU 139 1HB GLU 139 -9.270 7.529 -3.241 450 HG2 GLU 139 2HG GLU 139 -10.010 6.299 -5.230 451 HG3 GLU 139 1HG GLU 139 -11.556 5.952 -4.457 452 H GLU 140 H GLU 140 -7.160 6.175 -2.837 453 HA GLU 140 HA GLU 140 -6.595 5.062 -5.360 454 HB2 GLU 140 2HB GLU 140 -4.708 5.822 -3.143 455 HB3 GLU 140 1HB GLU 140 -4.226 5.463 -4.771 456 HG2 GLU 140 2HG GLU 140 -5.269 7.363 -5.665 457 HG3 GLU 140 1HG GLU 140 -6.324 7.544 -4.278 458 H PHE 141 H PHE 141 -6.141 3.833 -2.068 459 HA PHE 141 HA PHE 141 -4.764 1.469 -2.816 460 HB2 PHE 141 2HB PHE 141 -4.850 2.323 -0.489 461 HB3 PHE 141 1HB PHE 141 -6.565 1.933 -0.429 462 HD1 PHE 141 1HD PHE 141 -3.346 0.265 -1.445 463 HD2 PHE 141 2HD PHE 141 -7.120 -0.094 0.589 464 HE1 PHE 141 1HE PHE 141 -2.783 -2.060 -0.804 465 HE2 PHE 141 2HE PHE 141 -6.554 -2.416 1.221 466 HZ PHE 141 HZ PHE 141 -4.388 -3.401 0.522 467 H VAL 142 H VAL 142 -8.191 2.127 -2.161 468 HA VAL 142 HA VAL 142 -9.166 -0.441 -2.725 469 HB VAL 142 HB VAL 142 -10.446 2.282 -3.081 470 HG11 VAL 142 1HG1 VAL 142 -11.681 0.831 -4.509 471 HG12 VAL 142 2HG1 VAL 142 -12.601 0.908 -3.007 472 HG13 VAL 142 3HG1 VAL 142 -11.597 -0.500 -3.355 473 HG21 VAL 142 3HG2 VAL 142 -9.781 1.513 -0.760 474 HG22 VAL 142 1HG2 VAL 142 -10.898 0.165 -0.959 475 HG23 VAL 142 2HG2 VAL 142 -11.505 1.819 -0.966 476 H LYS 143 H LYS 143 -8.735 2.378 -4.842 477 HA LYS 143 HA LYS 143 -9.642 1.149 -7.224 478 HB2 LYS 143 2HB LYS 143 -9.321 3.610 -6.787 479 HB3 LYS 143 1HB LYS 143 -7.594 3.351 -6.943 480 HG2 LYS 143 2HG LYS 143 -7.856 2.546 -9.228 481 HG3 LYS 143 1HG LYS 143 -9.613 2.623 -9.087 482 HD2 LYS 143 2HD LYS 143 -9.481 5.066 -8.749 483 HD3 LYS 143 1HD LYS 143 -7.727 4.990 -8.912 484 HE2 LYS 143 2HE LYS 143 -9.642 4.031 -11.053 485 HE3 LYS 143 1HE LYS 143 -8.943 5.650 -11.029 486 HZ1 LYS 143 3HZ LYS 143 -7.240 4.755 -12.112 487 HZ2 LYS 143 1HZ LYS 143 -7.752 3.168 -11.801 488 HZ3 LYS 143 2HZ LYS 143 -6.810 3.996 -10.654 489 H MET 144 H MET 144 -6.379 1.626 -5.881 490 HA MET 144 HA MET 144 -4.966 0.278 -7.937 491 HB2 MET 144 2HB MET 144 -3.905 1.715 -6.199 492 HB3 MET 144 1HB MET 144 -4.238 0.478 -5.011 493 HG2 MET 144 2HG MET 144 -2.875 -1.136 -6.393 494 HG3 MET 144 1HG MET 144 -2.426 0.218 -7.429 495 HE1 MET 144 3HE MET 144 -1.034 -0.777 -3.205 496 HE2 MET 144 1HE MET 144 -1.802 -1.814 -4.414 497 HE3 MET 144 2HE MET 144 -2.754 -0.611 -3.549 498 H MET 145 H MET 145 -6.327 -0.765 -4.871 499 HA MET 145 HA MET 145 -5.377 -3.415 -4.980 500 HB2 MET 145 2HB MET 145 -6.212 -2.495 -2.891 501 HB3 MET 145 1HB MET 145 -7.815 -2.295 -3.588 502 HG2 MET 145 2HG MET 145 -6.790 -5.051 -3.867 503 HG3 MET 145 1HG MET 145 -6.946 -4.545 -2.188 504 HE1 MET 145 3HE MET 145 -9.288 -4.412 -0.913 505 HE2 MET 145 1HE MET 145 -10.556 -3.513 -1.755 506 HE3 MET 145 2HE MET 145 -8.925 -2.850 -1.644 507 H MET 146 H MET 146 -8.281 -1.869 -6.249 508 HA MET 146 HA MET 146 -9.588 -4.256 -7.063 509 HB2 MET 146 2HB MET 146 -9.828 -1.354 -7.823 510 HB3 MET 146 1HB MET 146 -10.730 -2.581 -8.711 511 HG2 MET 146 2HG MET 146 -11.847 -3.319 -6.708 512 HG3 MET 146 1HG MET 146 -10.820 -2.313 -5.694 513 HE1 MET 146 3HE MET 146 -13.149 -1.979 -4.772 514 HE2 MET 146 1HE MET 146 -14.325 -2.291 -6.056 515 HE3 MET 146 2HE MET 146 -14.253 -0.706 -5.288 516 H THR 147 H THR 147 -7.321 -2.046 -8.663 517 HA THR 147 HA THR 147 -7.426 -3.100 -11.239 518 HB THR 147 HB THR 147 -4.945 -2.058 -9.850 519 HG1 THR 147 1HG THR 147 -5.675 -0.052 -10.365 520 HG21 THR 147 3HG2 THR 147 -5.828 -2.255 -12.737 521 HG22 THR 147 1HG2 THR 147 -4.395 -2.965 -11.993 522 HG23 THR 147 2HG2 THR 147 -4.501 -1.218 -12.212 523 H VAL 148 H VAL 148 -6.248 -4.511 -8.353 524 HA VAL 148 HA VAL 148 -4.202 -6.172 -9.266 525 HB VAL 148 HB VAL 148 -6.289 -6.719 -7.146 526 HG11 VAL 148 1HG1 VAL 148 -3.682 -8.067 -7.843 527 HG12 VAL 148 2HG1 VAL 148 -5.267 -8.807 -7.625 528 HG13 VAL 148 3HG1 VAL 148 -4.387 -8.181 -6.231 529 HG21 VAL 148 3HG2 VAL 148 -4.812 -4.625 -6.963 530 HG22 VAL 148 1HG2 VAL 148 -3.449 -5.732 -6.795 531 HG23 VAL 148 2HG2 VAL 148 -4.747 -5.742 -5.601 532 H ARG 149 H ARG 149 -7.716 -6.787 -9.199 533 HA ARG 149 HA ARG 149 -7.606 -8.326 -11.589 534 HB2 ARG 149 2HB ARG 149 -6.599 -9.977 -10.039 535 HB3 ARG 149 1HB ARG 149 -8.041 -9.884 -9.029 536 HG2 ARG 149 2HG ARG 149 -9.430 -10.714 -10.850 537 HG3 ARG 149 1HG ARG 149 -8.055 -10.686 -11.955 538 HD2 ARG 149 2HD ARG 149 -8.379 -12.961 -11.174 539 HD3 ARG 149 1HD ARG 149 -6.893 -12.328 -10.472 540 HE ARG 149 HE ARG 149 -9.079 -11.854 -8.717 541 HH11 ARG 149 1HH2 ARG 149 -7.037 -14.322 -9.995 542 HH12 ARG 149 2HH2 ARG 149 -7.155 -15.344 -8.602 543 HH21 ARG 149 1HH1 ARG 149 -9.247 -13.184 -6.873 544 HH22 ARG 149 2HH1 ARG 149 -8.408 -14.698 -6.831 Start of MODEL 11 1 H1 ASP 80 1HT ASP 80 -19.610 -8.091 4.383 2 H2 ASP 80 2HT ASP 80 -18.694 -6.933 3.543 3 H3 ASP 80 3HT ASP 80 -19.337 -6.565 5.072 4 HA ASP 80 HA ASP 80 -17.640 -7.477 6.147 5 HB2 ASP 80 2HB ASP 80 -17.998 -9.710 4.148 6 HB3 ASP 80 1HB ASP 80 -16.721 -9.726 5.362 7 H ALA 81 H ALA 81 -17.367 -7.560 2.608 8 HA ALA 81 HA ALA 81 -14.592 -7.507 2.360 9 HB1 ALA 81 1HB ALA 81 -16.182 -7.667 0.451 10 HB2 ALA 81 2HB ALA 81 -14.933 -6.449 0.196 11 HB3 ALA 81 3HB ALA 81 -16.562 -5.958 0.661 12 H GLU 82 H GLU 82 -16.836 -4.764 2.775 13 HA GLU 82 HA GLU 82 -14.842 -2.769 2.783 14 HB2 GLU 82 2HB GLU 82 -17.504 -2.650 2.696 15 HB3 GLU 82 1HB GLU 82 -17.312 -2.397 4.431 16 HG2 GLU 82 2HG GLU 82 -15.949 -0.810 2.244 17 HG3 GLU 82 1HG GLU 82 -17.293 -0.253 3.236 18 H GLU 83 H GLU 83 -16.119 -4.842 5.303 19 HA GLU 83 HA GLU 83 -14.850 -3.421 7.466 20 HB2 GLU 83 2HB GLU 83 -16.794 -4.926 7.829 21 HB3 GLU 83 1HB GLU 83 -15.785 -6.301 7.379 22 HG2 GLU 83 2HG GLU 83 -14.267 -5.839 9.239 23 HG3 GLU 83 1HG GLU 83 -15.193 -4.400 9.665 24 H GLU 84 H GLU 84 -14.183 -6.718 6.244 25 HA GLU 84 HA GLU 84 -11.688 -7.055 7.329 26 HB2 GLU 84 2HB GLU 84 -12.998 -8.740 5.968 27 HB3 GLU 84 1HB GLU 84 -12.382 -7.939 4.523 28 HG2 GLU 84 2HG GLU 84 -10.896 -9.769 4.986 29 HG3 GLU 84 1HG GLU 84 -10.049 -8.292 5.441 30 H LEU 85 H LEU 85 -12.458 -5.379 4.262 31 HA LEU 85 HA LEU 85 -9.776 -4.865 3.542 32 HB2 LEU 85 2HB LEU 85 -11.667 -4.638 1.979 33 HB3 LEU 85 1HB LEU 85 -12.259 -3.254 2.895 34 HG LEU 85 HG LEU 85 -9.401 -3.082 2.091 35 HD11 LEU 85 1HD1 LEU 85 -9.962 -2.454 -0.238 36 HD12 LEU 85 2HD1 LEU 85 -11.626 -2.967 0.036 37 HD13 LEU 85 3HD1 LEU 85 -10.319 -4.150 0.090 38 HD21 LEU 85 3HD2 LEU 85 -9.888 -0.783 1.882 39 HD22 LEU 85 1HD2 LEU 85 -10.967 -1.286 3.178 40 HD23 LEU 85 2HD2 LEU 85 -11.596 -1.071 1.550 41 H LYS 86 H LYS 86 -12.118 -2.960 5.436 42 HA LYS 86 HA LYS 86 -10.463 -0.707 5.815 43 HB2 LYS 86 2HB LYS 86 -12.898 -0.774 6.330 44 HB3 LYS 86 1HB LYS 86 -12.545 -1.789 7.728 45 HG2 LYS 86 2HG LYS 86 -11.137 -0.024 8.686 46 HG3 LYS 86 1HG LYS 86 -11.414 0.987 7.269 47 HD2 LYS 86 2HD LYS 86 -13.838 1.002 7.756 48 HD3 LYS 86 1HD LYS 86 -13.549 0.014 9.188 49 HE2 LYS 86 2HE LYS 86 -12.132 1.779 10.143 50 HE3 LYS 86 1HE LYS 86 -12.372 2.767 8.702 51 HZ1 LYS 86 3HZ LYS 86 -14.592 1.803 10.416 52 HZ2 LYS 86 1HZ LYS 86 -14.677 2.945 9.165 53 HZ3 LYS 86 2HZ LYS 86 -13.853 3.322 10.603 54 H GLU 87 H GLU 87 -10.670 -3.797 7.527 55 HA GLU 87 HA GLU 87 -8.988 -3.045 9.702 56 HB2 GLU 87 2HB GLU 87 -10.504 -5.016 9.740 57 HB3 GLU 87 1HB GLU 87 -9.473 -5.795 8.540 58 HG2 GLU 87 2HG GLU 87 -7.566 -5.686 10.066 59 HG3 GLU 87 1HG GLU 87 -8.551 -4.848 11.263 60 H ALA 88 H ALA 88 -8.358 -4.855 6.682 61 HA ALA 88 HA ALA 88 -5.636 -5.269 7.016 62 HB1 ALA 88 1HB ALA 88 -6.865 -4.512 4.363 63 HB2 ALA 88 2HB ALA 88 -7.136 -6.085 5.114 64 HB3 ALA 88 3HB ALA 88 -5.506 -5.591 4.667 65 H PHE 89 H PHE 89 -7.297 -2.434 5.626 66 HA PHE 89 HA PHE 89 -5.048 -0.924 4.955 67 HB2 PHE 89 2HB PHE 89 -7.370 -0.315 4.347 68 HB3 PHE 89 1HB PHE 89 -7.682 0.097 6.034 69 HD1 PHE 89 1HD PHE 89 -6.548 2.032 7.087 70 HD2 PHE 89 2HD PHE 89 -6.008 1.109 2.934 71 HE1 PHE 89 1HE PHE 89 -5.567 4.275 6.718 72 HE2 PHE 89 2HE PHE 89 -5.037 3.352 2.558 73 HZ PHE 89 HZ PHE 89 -4.809 4.938 4.452 74 H LYS 90 H LYS 90 -6.787 -1.188 8.058 75 HA LYS 90 HA LYS 90 -5.268 0.747 9.442 76 HB2 LYS 90 2HB LYS 90 -7.439 -0.218 10.219 77 HB3 LYS 90 1HB LYS 90 -6.591 -1.719 10.595 78 HG2 LYS 90 2HG LYS 90 -5.141 -0.542 12.173 79 HG3 LYS 90 1HG LYS 90 -5.899 0.996 11.759 80 HD2 LYS 90 2HD LYS 90 -8.078 0.119 12.560 81 HD3 LYS 90 1HD LYS 90 -7.287 -1.390 13.016 82 HE2 LYS 90 2HE LYS 90 -5.831 -0.175 14.580 83 HE3 LYS 90 1HE LYS 90 -6.582 1.349 14.109 84 HZ1 LYS 90 3HZ LYS 90 -8.609 -0.452 14.787 85 HZ2 LYS 90 1HZ LYS 90 -8.171 0.982 15.582 86 HZ3 LYS 90 2HZ LYS 90 -7.452 -0.490 16.030 87 H VAL 91 H VAL 91 -4.676 -2.653 8.713 88 HA VAL 91 HA VAL 91 -2.524 -2.970 10.571 89 HB VAL 91 HB VAL 91 -3.268 -4.512 8.080 90 HG11 VAL 91 1HG1 VAL 91 -0.929 -4.889 8.408 91 HG12 VAL 91 2HG1 VAL 91 -1.745 -6.265 9.148 92 HG13 VAL 91 3HG1 VAL 91 -1.117 -4.965 10.159 93 HG21 VAL 91 3HG2 VAL 91 -4.031 -6.176 9.771 94 HG22 VAL 91 1HG2 VAL 91 -4.898 -4.647 9.909 95 HG23 VAL 91 2HG2 VAL 91 -3.612 -5.037 11.050 96 H PHE 92 H PHE 92 -2.631 -2.315 7.067 97 HA PHE 92 HA PHE 92 0.193 -2.107 6.755 98 HB2 PHE 92 2HB PHE 92 -1.793 -0.585 5.069 99 HB3 PHE 92 1HB PHE 92 -0.223 -1.233 4.595 100 HD1 PHE 92 2HD PHE 92 -0.353 -3.962 5.761 101 HD2 PHE 92 1HD PHE 92 -3.321 -1.701 3.647 102 HE1 PHE 92 2HE PHE 92 -1.431 -6.057 5.056 103 HE2 PHE 92 1HE PHE 92 -4.411 -3.803 2.943 104 HZ PHE 92 HZ PHE 92 -3.463 -5.990 3.641 105 H ASP 93 H ASP 93 -2.277 0.169 7.751 106 HA ASP 93 HA ASP 93 -0.564 2.466 7.526 107 HB2 ASP 93 2HB ASP 93 -3.054 2.591 7.427 108 HB3 ASP 93 1HB ASP 93 -3.115 2.146 9.130 109 H LYS 94 H LYS 94 1.077 0.866 8.811 110 HA LYS 94 HA LYS 94 0.899 0.535 11.565 111 HB2 LYS 94 2HB LYS 94 3.304 1.092 9.823 112 HB3 LYS 94 1HB LYS 94 3.432 0.690 11.534 113 HG2 LYS 94 2HG LYS 94 2.236 -1.429 11.134 114 HG3 LYS 94 1HG LYS 94 2.097 -1.031 9.421 115 HD2 LYS 94 2HD LYS 94 4.576 -0.947 9.260 116 HD3 LYS 94 1HD LYS 94 4.685 -1.422 10.955 117 HE2 LYS 94 2HE LYS 94 3.393 -3.044 8.742 118 HE3 LYS 94 1HE LYS 94 4.948 -3.384 9.500 119 HZ1 LYS 94 3HZ LYS 94 3.898 -4.476 11.088 120 HZ2 LYS 94 1HZ LYS 94 2.399 -4.139 10.369 121 HZ3 LYS 94 2HZ LYS 94 3.048 -3.071 11.520 122 H ASP 95 H ASP 95 2.095 3.377 9.768 123 HA ASP 95 HA ASP 95 2.762 4.909 12.052 124 HB2 ASP 95 2HB ASP 95 1.838 6.092 9.437 125 HB3 ASP 95 1HB ASP 95 3.026 6.724 10.572 126 H GLN 96 H GLN 96 -0.212 3.864 10.896 127 HA GLN 96 HA GLN 96 -2.389 4.463 11.342 128 HB2 GLN 96 2HB GLN 96 -1.008 5.674 13.753 129 HB3 GLN 96 1HB GLN 96 -2.756 5.512 13.594 130 HG2 GLN 96 2HG GLN 96 -0.817 3.184 13.434 131 HG3 GLN 96 1HG GLN 96 -1.700 3.640 14.888 132 HE21 GLN 96 1HE2 GLN 96 -1.841 1.342 12.631 133 HE22 GLN 96 2HE2 GLN 96 -3.519 1.184 12.431 134 H ASN 97 H ASN 97 -0.486 6.425 9.910 135 HA ASN 97 HA ASN 97 -1.486 9.040 10.602 136 HB2 ASN 97 2HB ASN 97 -0.238 9.789 8.622 137 HB3 ASN 97 1HB ASN 97 0.755 8.757 9.651 138 HD21 ASN 97 1HD2 ASN 97 1.496 8.966 6.963 139 HD22 ASN 97 2HD2 ASN 97 1.132 7.518 6.156 140 H GLY 98 H GLY 98 -2.973 6.497 9.095 141 HA2 GLY 98 2HA GLY 98 -5.074 6.494 8.093 142 HA3 GLY 98 1HA GLY 98 -4.980 8.244 7.930 143 H TYR 99 H TYR 99 -2.104 7.114 6.792 144 HA TYR 99 HA TYR 99 -3.087 6.652 4.031 145 HB2 TYR 99 2HB TYR 99 -1.039 8.667 4.964 146 HB3 TYR 99 1HB TYR 99 -1.114 8.096 3.296 147 HD1 TYR 99 1HD TYR 99 -3.154 9.676 5.996 148 HD2 TYR 99 2HD TYR 99 -2.697 8.978 1.784 149 HE1 TYR 99 1HE TYR 99 -5.010 11.248 5.535 150 HE2 TYR 99 2HE TYR 99 -4.555 10.551 1.325 151 HH TYR 99 HH TYR 99 -5.565 12.768 3.077 152 H ILE 100 H ILE 100 -1.901 5.118 2.883 153 HA ILE 100 HA ILE 100 0.141 3.680 4.428 154 HB ILE 100 HB ILE 100 -0.789 3.004 1.641 155 HG12 ILE 100 2HG1 ILE 100 -2.048 2.171 4.284 156 HG13 ILE 100 1HG1 ILE 100 -2.786 3.201 3.062 157 HG21 ILE 100 1HG2 ILE 100 0.224 1.272 3.908 158 HG22 ILE 100 2HG2 ILE 100 1.259 1.925 2.636 159 HG23 ILE 100 3HG2 ILE 100 -0.029 0.789 2.230 160 HD11 ILE 100 3HD1 ILE 100 -3.672 1.039 2.641 161 HD12 ILE 100 1HD1 ILE 100 -2.101 0.268 2.857 162 HD13 ILE 100 2HD1 ILE 100 -2.412 1.251 1.424 163 H SER 101 H SER 101 2.275 3.835 4.066 164 HA SER 101 HA SER 101 3.173 5.680 1.907 165 HB2 SER 101 2HB SER 101 3.831 6.326 4.173 166 HB3 SER 101 1HB SER 101 4.572 4.749 4.429 167 HG SER 101 HG SER 101 6.279 5.552 3.523 168 H ALA 102 H ALA 102 5.169 5.142 0.746 169 HA ALA 102 HA ALA 102 5.145 2.621 -0.428 170 HB1 ALA 102 1HB ALA 102 7.301 3.154 -1.363 171 HB2 ALA 102 2HB ALA 102 7.611 4.338 -0.094 172 HB3 ALA 102 3HB ALA 102 6.357 4.643 -1.296 173 H SER 103 H SER 103 7.032 3.758 2.373 174 HA SER 103 HA SER 103 8.625 1.493 2.741 175 HB2 SER 103 2HB SER 103 8.847 2.216 5.063 176 HB3 SER 103 1HB SER 103 8.942 3.598 3.974 177 HG SER 103 HG SER 103 7.529 4.088 5.638 178 H GLU 104 H GLU 104 5.289 2.133 3.839 179 HA GLU 104 HA GLU 104 5.089 -0.308 5.289 180 HB2 GLU 104 2HB GLU 104 3.034 1.657 4.269 181 HB3 GLU 104 1HB GLU 104 2.630 0.244 5.202 182 HG2 GLU 104 2HG GLU 104 4.146 1.026 7.009 183 HG3 GLU 104 1HG GLU 104 4.425 2.492 6.087 184 H LEU 105 H LEU 105 4.259 0.727 1.989 185 HA LEU 105 HA LEU 105 2.798 -1.558 1.247 186 HB2 LEU 105 2HB LEU 105 3.265 0.750 0.005 187 HB3 LEU 105 1HB LEU 105 4.562 -0.165 -0.748 188 HG LEU 105 HG LEU 105 2.622 -0.335 -2.173 189 HD11 LEU 105 1HD1 LEU 105 4.027 -2.431 -1.642 190 HD12 LEU 105 2HD1 LEU 105 2.457 -2.680 -2.402 191 HD13 LEU 105 3HD1 LEU 105 2.646 -2.950 -0.673 192 HD21 LEU 105 3HD2 LEU 105 0.454 -0.734 -1.473 193 HD22 LEU 105 1HD2 LEU 105 1.060 0.063 -0.026 194 HD23 LEU 105 2HD2 LEU 105 0.945 -1.695 -0.085 195 H ARG 106 H ARG 106 6.263 -0.837 0.984 196 HA ARG 106 HA ARG 106 6.907 -3.331 -0.263 197 HB2 ARG 106 2HB ARG 106 9.230 -2.727 0.117 198 HB3 ARG 106 1HB ARG 106 8.340 -1.310 -0.444 199 HG2 ARG 106 2HG ARG 106 8.063 -0.581 1.890 200 HG3 ARG 106 1HG ARG 106 9.026 -1.946 2.439 201 HD2 ARG 106 2HD ARG 106 10.898 -1.118 1.018 202 HD3 ARG 106 1HD ARG 106 9.936 0.316 0.671 203 HE ARG 106 HE ARG 106 10.095 -0.047 3.476 204 HH11 ARG 106 1HH2 ARG 106 11.960 0.791 0.703 205 HH12 ARG 106 2HH2 ARG 106 13.078 1.787 1.573 206 HH21 ARG 106 1HH1 ARG 106 11.557 1.256 4.646 207 HH22 ARG 106 2HH1 ARG 106 12.851 2.051 3.812 208 H HIS 107 H HIS 107 7.011 -2.157 3.089 209 HA HIS 107 HA HIS 107 8.201 -4.401 4.265 210 HB2 HIS 107 2HB HIS 107 7.657 -2.198 5.396 211 HB3 HIS 107 1HB HIS 107 5.992 -2.766 5.519 212 HD1 HIS 107 1HD HIS 107 5.710 -3.443 7.910 213 HD2 HIS 107 2HD HIS 107 9.304 -4.837 6.326 214 HE1 HIS 107 1HE HIS 107 6.757 -4.909 9.692 215 HE2 HIS 107 2HE HIS 107 8.949 -5.767 8.739 216 H VAL 108 H VAL 108 4.821 -3.770 3.423 217 HA VAL 108 HA VAL 108 3.782 -6.159 4.553 218 HB VAL 108 HB VAL 108 2.768 -4.372 2.334 219 HG11 VAL 108 1HG1 VAL 108 1.552 -6.814 3.643 220 HG12 VAL 108 2HG1 VAL 108 1.766 -6.502 1.920 221 HG13 VAL 108 3HG1 VAL 108 0.571 -5.590 2.840 222 HG21 VAL 108 3HG2 VAL 108 2.932 -3.554 4.762 223 HG22 VAL 108 1HG2 VAL 108 1.720 -4.769 5.145 224 HG23 VAL 108 2HG2 VAL 108 1.334 -3.465 4.021 225 H MET 109 H MET 109 4.983 -5.343 1.299 226 HA MET 109 HA MET 109 4.335 -7.785 0.060 227 HB2 MET 109 2HB MET 109 6.449 -5.698 -0.453 228 HB3 MET 109 1HB MET 109 6.354 -7.159 -1.437 229 HG2 MET 109 2HG MET 109 3.987 -5.334 -0.971 230 HG3 MET 109 1HG MET 109 5.073 -5.167 -2.351 231 HE1 MET 109 3HE MET 109 1.834 -6.674 -3.852 232 HE2 MET 109 1HE MET 109 2.829 -5.236 -3.587 233 HE3 MET 109 2HE MET 109 1.771 -5.827 -2.308 234 H ILE 110 H ILE 110 7.200 -6.800 1.929 235 HA ILE 110 HA ILE 110 8.670 -9.197 1.486 236 HB ILE 110 HB ILE 110 8.784 -7.160 3.719 237 HG12 ILE 110 2HG1 ILE 110 10.696 -7.668 1.422 238 HG13 ILE 110 1HG1 ILE 110 9.380 -6.495 1.331 239 HG21 ILE 110 1HG2 ILE 110 9.706 -9.179 4.622 240 HG22 ILE 110 2HG2 ILE 110 11.082 -8.216 4.085 241 HG23 ILE 110 3HG2 ILE 110 10.513 -9.567 3.103 242 HD11 ILE 110 3HD1 ILE 110 11.533 -6.483 3.464 243 HD12 ILE 110 1HD1 ILE 110 10.279 -5.265 3.228 244 HD13 ILE 110 2HD1 ILE 110 11.552 -5.466 2.023 245 H ASN 111 H ASN 111 6.440 -8.161 4.059 246 HA ASN 111 HA ASN 111 6.674 -10.435 5.692 247 HB2 ASN 111 2HB ASN 111 5.541 -8.519 6.548 248 HB3 ASN 111 1HB ASN 111 4.365 -8.541 5.243 249 HD21 ASN 111 1HD2 ASN 111 2.402 -9.123 6.259 250 HD22 ASN 111 2HD2 ASN 111 2.219 -10.454 7.296 251 H LEU 112 H LEU 112 4.913 -9.879 2.728 252 HA LEU 112 HA LEU 112 3.408 -12.351 2.953 253 HB2 LEU 112 2HB LEU 112 3.554 -10.087 1.028 254 HB3 LEU 112 1HB LEU 112 3.067 -11.641 0.364 255 HG LEU 112 HG LEU 112 1.313 -11.791 2.157 256 HD11 LEU 112 1HD1 LEU 112 1.992 -8.889 2.663 257 HD12 LEU 112 2HD1 LEU 112 2.527 -10.199 3.709 258 HD13 LEU 112 3HD1 LEU 112 0.810 -9.871 3.518 259 HD21 LEU 112 3HD2 LEU 112 -0.135 -9.974 1.174 260 HD22 LEU 112 1HD2 LEU 112 0.646 -11.007 -0.022 261 HD23 LEU 112 2HD2 LEU 112 1.285 -9.396 0.304 262 H GLY 113 H GLY 113 6.552 -11.754 2.361 263 HA2 GLY 113 2HA GLY 113 8.201 -13.273 1.683 264 HA3 GLY 113 1HA GLY 113 6.928 -14.339 1.097 265 H GLU 114 H GLU 114 6.713 -11.066 0.082 266 HA GLU 114 HA GLU 114 7.818 -11.768 -2.590 267 HB2 GLU 114 2HB GLU 114 5.467 -9.987 -1.888 268 HB3 GLU 114 1HB GLU 114 6.137 -10.181 -3.507 269 HG2 GLU 114 2HG GLU 114 5.059 -12.463 -1.827 270 HG3 GLU 114 1HG GLU 114 4.140 -11.635 -3.084 271 H LYS 115 H LYS 115 9.273 -10.336 -3.467 272 HA LYS 115 HA LYS 115 9.766 -7.803 -1.983 273 HB2 LYS 115 2HB LYS 115 12.195 -8.190 -2.840 274 HB3 LYS 115 1HB LYS 115 11.640 -9.108 -1.440 275 HG2 LYS 115 2HG LYS 115 11.072 -11.013 -2.912 276 HG3 LYS 115 1HG LYS 115 11.643 -10.102 -4.305 277 HD2 LYS 115 2HD LYS 115 13.890 -9.993 -3.338 278 HD3 LYS 115 1HD LYS 115 13.327 -10.859 -1.907 279 HE2 LYS 115 2HE LYS 115 14.404 -12.441 -3.416 280 HE3 LYS 115 1HE LYS 115 12.673 -12.772 -3.378 281 HZ1 LYS 115 3HZ LYS 115 13.392 -12.778 -5.635 282 HZ2 LYS 115 1HZ LYS 115 14.164 -11.278 -5.463 283 HZ3 LYS 115 2HZ LYS 115 12.469 -11.372 -5.394 284 H LEU 116 H LEU 116 8.957 -6.254 -3.301 285 HA LEU 116 HA LEU 116 9.234 -6.504 -6.210 286 HB2 LEU 116 2HB LEU 116 7.782 -4.569 -4.399 287 HB3 LEU 116 1HB LEU 116 7.933 -4.289 -6.130 288 HG LEU 116 HG LEU 116 5.801 -5.455 -5.499 289 HD11 LEU 116 1HD1 LEU 116 7.341 -5.868 -7.679 290 HD12 LEU 116 2HD1 LEU 116 5.817 -6.707 -7.430 291 HD13 LEU 116 3HD1 LEU 116 7.338 -7.504 -7.038 292 HD21 LEU 116 3HD2 LEU 116 7.040 -6.766 -3.634 293 HD22 LEU 116 1HD2 LEU 116 7.516 -7.872 -4.927 294 HD23 LEU 116 2HD2 LEU 116 5.812 -7.624 -4.559 295 H THR 117 H THR 117 10.269 -4.858 -7.497 296 HA THR 117 HA THR 117 12.716 -3.919 -6.333 297 HB THR 117 HB THR 117 12.926 -2.699 -8.566 298 HG1 THR 117 1HG THR 117 10.981 -4.220 -9.676 299 HG21 THR 117 3HG2 THR 117 12.431 -5.679 -8.405 300 HG22 THR 117 1HG2 THR 117 13.979 -4.837 -8.317 301 HG23 THR 117 2HG2 THR 117 13.091 -4.893 -9.840 302 H ASP 118 H ASP 118 13.377 -1.611 -6.209 303 HA ASP 118 HA ASP 118 11.461 -0.048 -4.825 304 HB2 ASP 118 2HB ASP 118 14.211 0.444 -5.911 305 HB3 ASP 118 1HB ASP 118 13.256 1.815 -5.345 306 H GLU 119 H GLU 119 12.641 0.058 -8.174 307 HA GLU 119 HA GLU 119 11.187 2.398 -8.885 308 HB2 GLU 119 2HB GLU 119 12.350 0.166 -10.548 309 HB3 GLU 119 1HB GLU 119 11.585 1.597 -11.237 310 HG2 GLU 119 2HG GLU 119 13.193 3.048 -10.103 311 HG3 GLU 119 1HG GLU 119 13.919 1.652 -9.313 312 H GLU 120 H GLU 120 10.346 -1.021 -8.715 313 HA GLU 120 HA GLU 120 7.972 -0.764 -10.288 314 HB2 GLU 120 2HB GLU 120 9.013 -2.934 -10.130 315 HB3 GLU 120 1HB GLU 120 8.944 -2.891 -8.368 316 HG2 GLU 120 2HG GLU 120 7.149 -4.284 -9.345 317 HG3 GLU 120 1HG GLU 120 6.514 -2.933 -8.429 318 H VAL 121 H VAL 121 8.672 -0.960 -6.800 319 HA VAL 121 HA VAL 121 5.983 -0.719 -5.950 320 HB VAL 121 HB VAL 121 8.569 0.014 -4.559 321 HG11 VAL 121 1HG1 VAL 121 6.848 1.276 -3.470 322 HG12 VAL 121 2HG1 VAL 121 7.091 -0.164 -2.482 323 HG13 VAL 121 3HG1 VAL 121 5.709 -0.065 -3.572 324 HG21 VAL 121 3HG2 VAL 121 6.752 -2.407 -4.561 325 HG22 VAL 121 1HG2 VAL 121 7.933 -2.120 -3.285 326 HG23 VAL 121 2HG2 VAL 121 8.470 -2.341 -4.950 327 H GLU 122 H GLU 122 8.538 1.736 -6.394 328 HA GLU 122 HA GLU 122 7.012 3.963 -5.632 329 HB2 GLU 122 2HB GLU 122 9.306 3.692 -7.583 330 HB3 GLU 122 1HB GLU 122 8.606 5.239 -7.125 331 HG2 GLU 122 2HG GLU 122 9.678 3.241 -5.123 332 HG3 GLU 122 1HG GLU 122 10.628 4.581 -5.764 333 H GLN 123 H GLN 123 7.223 2.215 -8.688 334 HA GLN 123 HA GLN 123 5.815 4.083 -10.281 335 HB2 GLN 123 2HB GLN 123 7.101 2.133 -11.173 336 HB3 GLN 123 1HB GLN 123 5.834 1.066 -10.574 337 HG2 GLN 123 2HG GLN 123 5.409 1.525 -12.921 338 HG3 GLN 123 1HG GLN 123 4.177 2.338 -11.961 339 HE21 GLN 123 1HE2 GLN 123 7.418 3.683 -11.969 340 HE22 GLN 123 2HE2 GLN 123 7.064 5.014 -12.958 341 H MET 124 H MET 124 4.642 1.242 -8.430 342 HA MET 124 HA MET 124 1.924 1.625 -9.094 343 HB2 MET 124 2HB MET 124 3.389 0.128 -6.932 344 HB3 MET 124 1HB MET 124 1.638 0.238 -6.916 345 HG2 MET 124 2HG MET 124 1.591 -0.648 -9.246 346 HG3 MET 124 1HG MET 124 3.335 -0.859 -9.160 347 HE1 MET 124 3HE MET 124 4.297 -3.520 -8.017 348 HE2 MET 124 1HE MET 124 3.989 -3.090 -6.331 349 HE3 MET 124 2HE MET 124 4.499 -1.858 -7.475 350 H ILE 125 H ILE 125 3.952 2.795 -6.429 351 HA ILE 125 HA ILE 125 1.870 3.975 -4.913 352 HB ILE 125 HB ILE 125 4.805 4.672 -5.176 353 HG12 ILE 125 2HG1 ILE 125 3.888 2.379 -4.206 354 HG13 ILE 125 1HG1 ILE 125 5.181 3.234 -3.374 355 HG21 ILE 125 1HG2 ILE 125 2.637 5.764 -3.382 356 HG22 ILE 125 2HG2 ILE 125 3.848 6.648 -4.311 357 HG23 ILE 125 3HG2 ILE 125 4.324 5.759 -2.864 358 HD11 ILE 125 3HD1 ILE 125 3.697 4.089 -1.720 359 HD12 ILE 125 1HD1 ILE 125 3.237 2.400 -1.925 360 HD13 ILE 125 2HD1 ILE 125 2.278 3.670 -2.670 361 H LYS 126 H LYS 126 4.004 5.252 -7.414 362 HA LYS 126 HA LYS 126 2.850 7.864 -7.455 363 HB2 LYS 126 2HB LYS 126 4.555 6.381 -9.417 364 HB3 LYS 126 1HB LYS 126 4.038 8.044 -9.665 365 HG2 LYS 126 2HG LYS 126 5.095 8.693 -7.537 366 HG3 LYS 126 1HG LYS 126 5.593 7.023 -7.273 367 HD2 LYS 126 2HD LYS 126 6.944 7.089 -9.335 368 HD3 LYS 126 1HD LYS 126 6.445 8.757 -9.612 369 HE2 LYS 126 2HE LYS 126 7.486 9.431 -7.484 370 HE3 LYS 126 1HE LYS 126 7.982 7.765 -7.192 371 HZ1 LYS 126 3HZ LYS 126 9.843 8.705 -8.152 372 HZ2 LYS 126 1HZ LYS 126 8.948 9.657 -9.233 373 HZ3 LYS 126 2HZ LYS 126 9.085 7.983 -9.490 374 H GLU 127 H GLU 127 2.302 4.917 -9.288 375 HA GLU 127 HA GLU 127 0.438 6.098 -11.122 376 HB2 GLU 127 2HB GLU 127 1.790 4.018 -11.522 377 HB3 GLU 127 1HB GLU 127 0.693 3.193 -10.430 378 HG2 GLU 127 2HG GLU 127 -0.194 2.817 -12.613 379 HG3 GLU 127 1HG GLU 127 -1.213 4.060 -11.892 380 H ALA 128 H ALA 128 0.215 4.377 -8.076 381 HA ALA 128 HA ALA 128 -2.655 4.088 -8.190 382 HB1 ALA 128 1HB ALA 128 -2.440 3.442 -5.793 383 HB2 ALA 128 2HB ALA 128 -0.720 3.824 -5.887 384 HB3 ALA 128 3HB ALA 128 -1.384 2.520 -6.868 385 H ASP 129 H ASP 129 -0.446 6.515 -7.014 386 HA ASP 129 HA ASP 129 -2.313 7.830 -5.308 387 HB2 ASP 129 2HB ASP 129 0.075 8.102 -5.057 388 HB3 ASP 129 1HB ASP 129 0.185 8.904 -6.611 389 H LEU 130 H LEU 130 -4.106 8.743 -6.025 390 HA LEU 130 HA LEU 130 -4.196 9.894 -8.694 391 HB2 LEU 130 2HB LEU 130 -6.073 8.482 -7.630 392 HB3 LEU 130 1HB LEU 130 -6.453 9.927 -6.703 393 HG LEU 130 HG LEU 130 -6.458 11.139 -9.028 394 HD11 LEU 130 1HD1 LEU 130 -5.566 9.390 -10.416 395 HD12 LEU 130 2HD1 LEU 130 -7.266 9.546 -10.836 396 HD13 LEU 130 3HD1 LEU 130 -6.732 8.222 -9.805 397 HD21 LEU 130 3HD2 LEU 130 -8.856 10.439 -9.366 398 HD22 LEU 130 1HD2 LEU 130 -8.472 10.887 -7.704 399 HD23 LEU 130 2HD2 LEU 130 -8.608 9.186 -8.149 400 H ASP 131 H ASP 131 -3.870 10.954 -5.418 401 HA ASP 131 HA ASP 131 -4.657 13.697 -6.039 402 HB2 ASP 131 2HB ASP 131 -3.440 12.623 -3.493 403 HB3 ASP 131 1HB ASP 131 -4.303 14.142 -3.709 404 H GLY 132 H GLY 132 -1.941 11.957 -6.709 405 HA2 GLY 132 2HA GLY 132 0.236 12.536 -7.163 406 HA3 GLY 132 1HA GLY 132 -0.360 14.188 -7.300 407 H ASP 133 H ASP 133 -1.140 13.032 -4.237 408 HA ASP 133 HA ASP 133 0.695 14.790 -2.949 409 HB2 ASP 133 2HB ASP 133 -0.181 13.795 -0.858 410 HB3 ASP 133 1HB ASP 133 -1.478 14.267 -1.957 411 H GLY 134 H GLY 134 0.954 11.576 -4.080 412 HA2 GLY 134 2HA GLY 134 2.929 10.319 -4.204 413 HA3 GLY 134 1HA GLY 134 3.647 11.360 -2.977 414 H GLN 135 H GLN 135 0.557 10.509 -2.055 415 HA GLN 135 HA GLN 135 1.544 8.249 -0.409 416 HB2 GLN 135 2HB GLN 135 0.263 10.797 0.258 417 HB3 GLN 135 1HB GLN 135 -0.602 9.422 0.924 418 HG2 GLN 135 2HG GLN 135 1.312 8.645 2.097 419 HG3 GLN 135 1HG GLN 135 2.384 9.726 1.203 420 HE21 GLN 135 1HE2 GLN 135 -0.760 10.821 2.423 421 HE22 GLN 135 2HE2 GLN 135 -0.129 11.854 3.612 422 H VAL 136 H VAL 136 0.199 6.489 -0.153 423 HA VAL 136 HA VAL 136 -1.929 6.253 -2.138 424 HB VAL 136 HB VAL 136 -0.608 4.359 -0.201 425 HG11 VAL 136 1HG1 VAL 136 -2.198 2.633 -1.331 426 HG12 VAL 136 2HG1 VAL 136 -3.209 4.031 -1.695 427 HG13 VAL 136 3HG1 VAL 136 -2.845 3.617 -0.019 428 HG21 VAL 136 3HG2 VAL 136 0.346 4.951 -2.488 429 HG22 VAL 136 1HG2 VAL 136 -1.062 4.145 -3.180 430 HG23 VAL 136 2HG2 VAL 136 0.076 3.232 -2.192 431 H ASN 137 H ASN 137 -3.956 7.009 -1.638 432 HA ASN 137 HA ASN 137 -4.728 7.176 1.202 433 HB2 ASN 137 2HB ASN 137 -4.956 9.130 -0.474 434 HB3 ASN 137 1HB ASN 137 -6.315 8.231 -1.139 435 HD21 ASN 137 1HD2 ASN 137 -7.943 9.723 -0.390 436 HD22 ASN 137 2HD2 ASN 137 -8.294 9.922 1.259 437 H TYR 138 H TYR 138 -7.079 6.616 1.676 438 HA TYR 138 HA TYR 138 -7.564 3.942 1.334 439 HB2 TYR 138 2HB TYR 138 -8.777 5.426 2.914 440 HB3 TYR 138 1HB TYR 138 -9.696 6.068 1.555 441 HD1 TYR 138 1HD TYR 138 -8.859 2.890 3.334 442 HD2 TYR 138 2HD TYR 138 -11.597 4.942 0.740 443 HE1 TYR 138 1HE TYR 138 -10.432 0.984 3.485 444 HE2 TYR 138 2HE TYR 138 -13.172 3.035 0.893 445 HH TYR 138 HH TYR 138 -12.570 0.324 3.078 446 H GLU 139 H GLU 139 -9.044 6.563 -0.637 447 HA GLU 139 HA GLU 139 -10.461 4.873 -2.379 448 HB2 GLU 139 2HB GLU 139 -10.791 7.329 -2.199 449 HB3 GLU 139 1HB GLU 139 -9.249 7.570 -3.019 450 HG2 GLU 139 2HG GLU 139 -10.089 6.360 -4.987 451 HG3 GLU 139 1HG GLU 139 -11.625 6.080 -4.167 452 H GLU 140 H GLU 140 -7.169 6.160 -2.665 453 HA GLU 140 HA GLU 140 -6.703 5.023 -5.210 454 HB2 GLU 140 2HB GLU 140 -4.771 5.880 -3.058 455 HB3 GLU 140 1HB GLU 140 -4.286 5.386 -4.650 456 HG2 GLU 140 2HG GLU 140 -5.309 7.220 -5.691 457 HG3 GLU 140 1HG GLU 140 -6.350 7.520 -4.318 458 H PHE 141 H PHE 141 -6.139 3.849 -1.910 459 HA PHE 141 HA PHE 141 -4.769 1.483 -2.662 460 HB2 PHE 141 2HB PHE 141 -4.847 2.420 -0.340 461 HB3 PHE 141 1HB PHE 141 -6.530 1.907 -0.236 462 HD1 PHE 141 1HD PHE 141 -3.171 0.517 -1.191 463 HD2 PHE 141 2HD PHE 141 -6.968 -0.190 0.692 464 HE1 PHE 141 1HE PHE 141 -2.424 -1.756 -0.533 465 HE2 PHE 141 2HE PHE 141 -6.224 -2.459 1.343 466 HZ PHE 141 HZ PHE 141 -3.952 -3.242 0.730 467 H VAL 142 H VAL 142 -8.187 2.090 -1.859 468 HA VAL 142 HA VAL 142 -9.128 -0.496 -2.397 469 HB VAL 142 HB VAL 142 -10.475 2.205 -2.606 470 HG11 VAL 142 1HG1 VAL 142 -11.588 -0.578 -2.982 471 HG12 VAL 142 2HG1 VAL 142 -11.765 0.825 -4.038 472 HG13 VAL 142 3HG1 VAL 142 -12.605 0.777 -2.488 473 HG21 VAL 142 3HG2 VAL 142 -9.865 1.626 -0.338 474 HG22 VAL 142 1HG2 VAL 142 -10.486 -0.011 -0.536 475 HG23 VAL 142 2HG2 VAL 142 -11.599 1.356 -0.505 476 H LYS 143 H LYS 143 -8.817 2.343 -4.492 477 HA LYS 143 HA LYS 143 -9.890 1.204 -6.831 478 HB2 LYS 143 2HB LYS 143 -9.439 3.623 -6.434 479 HB3 LYS 143 1HB LYS 143 -7.726 3.299 -6.581 480 HG2 LYS 143 2HG LYS 143 -8.349 3.998 -8.756 481 HG3 LYS 143 1HG LYS 143 -8.307 2.244 -8.878 482 HD2 LYS 143 2HD LYS 143 -10.680 2.068 -8.744 483 HD3 LYS 143 1HD LYS 143 -10.847 3.737 -8.203 484 HE2 LYS 143 2HE LYS 143 -11.458 3.632 -10.541 485 HE3 LYS 143 1HE LYS 143 -9.917 4.480 -10.409 486 HZ1 LYS 143 3HZ LYS 143 -10.081 2.700 -12.168 487 HZ2 LYS 143 1HZ LYS 143 -10.082 1.567 -10.906 488 HZ3 LYS 143 2HZ LYS 143 -8.748 2.597 -11.121 489 H MET 144 H MET 144 -6.518 1.507 -5.724 490 HA MET 144 HA MET 144 -5.337 0.080 -7.867 491 HB2 MET 144 2HB MET 144 -4.163 1.473 -6.067 492 HB3 MET 144 1HB MET 144 -4.320 0.086 -5.022 493 HG2 MET 144 2HG MET 144 -3.076 -0.263 -7.739 494 HG3 MET 144 1HG MET 144 -2.114 0.378 -6.415 495 HE1 MET 144 3HE MET 144 -1.536 -2.075 -3.954 496 HE2 MET 144 1HE MET 144 -3.210 -1.579 -3.678 497 HE3 MET 144 2HE MET 144 -2.027 -0.416 -4.265 498 H MET 145 H MET 145 -6.664 -0.883 -4.766 499 HA MET 145 HA MET 145 -5.851 -3.597 -4.942 500 HB2 MET 145 2HB MET 145 -6.487 -2.552 -2.795 501 HB3 MET 145 1HB MET 145 -8.150 -2.417 -3.363 502 HG2 MET 145 2HG MET 145 -8.363 -4.828 -3.515 503 HG3 MET 145 1HG MET 145 -6.651 -5.049 -3.155 504 HE1 MET 145 3HE MET 145 -5.545 -4.062 -0.919 505 HE2 MET 145 1HE MET 145 -5.919 -5.788 -1.003 506 HE3 MET 145 2HE MET 145 -6.233 -4.885 0.477 507 H MET 146 H MET 146 -8.786 -1.844 -5.874 508 HA MET 146 HA MET 146 -10.326 -4.090 -6.613 509 HB2 MET 146 2HB MET 146 -10.354 -1.179 -7.375 510 HB3 MET 146 1HB MET 146 -11.425 -2.320 -8.192 511 HG2 MET 146 2HG MET 146 -11.271 -2.062 -5.178 512 HG3 MET 146 1HG MET 146 -12.427 -1.171 -6.165 513 HE1 MET 146 3HE MET 146 -15.296 -3.353 -5.927 514 HE2 MET 146 1HE MET 146 -14.595 -1.904 -6.658 515 HE3 MET 146 2HE MET 146 -14.476 -2.164 -4.920 516 H THR 147 H THR 147 -7.890 -2.193 -8.318 517 HA THR 147 HA THR 147 -8.301 -3.153 -10.912 518 HB THR 147 HB THR 147 -5.688 -2.389 -9.570 519 HG1 THR 147 1HG THR 147 -7.586 -0.928 -11.082 520 HG21 THR 147 3HG2 THR 147 -6.477 -2.793 -12.457 521 HG22 THR 147 1HG2 THR 147 -5.137 -3.535 -11.582 522 HG23 THR 147 2HG2 THR 147 -5.084 -1.819 -11.989 523 H VAL 148 H VAL 148 -5.581 -4.212 -8.873 524 HA VAL 148 HA VAL 148 -5.252 -6.657 -10.290 525 HB VAL 148 HB VAL 148 -3.681 -7.226 -8.447 526 HG11 VAL 148 1HG1 VAL 148 -2.884 -5.829 -10.296 527 HG12 VAL 148 2HG1 VAL 148 -2.163 -5.276 -8.785 528 HG13 VAL 148 3HG1 VAL 148 -3.505 -4.382 -9.500 529 HG21 VAL 148 3HG2 VAL 148 -4.648 -4.599 -7.269 530 HG22 VAL 148 1HG2 VAL 148 -3.345 -5.601 -6.631 531 HG23 VAL 148 2HG2 VAL 148 -5.004 -6.197 -6.613 532 H ARG 149 H ARG 149 -7.482 -5.689 -7.917 533 HA ARG 149 HA ARG 149 -9.058 -6.836 -6.690 534 HB2 ARG 149 2HB ARG 149 -8.473 -8.952 -8.779 535 HB3 ARG 149 1HB ARG 149 -9.836 -8.987 -7.665 536 HG2 ARG 149 2HG ARG 149 -10.653 -6.849 -8.581 537 HG3 ARG 149 1HG ARG 149 -9.281 -6.796 -9.685 538 HD2 ARG 149 2HD ARG 149 -11.195 -7.662 -10.888 539 HD3 ARG 149 1HD ARG 149 -10.036 -8.968 -10.657 540 HE ARG 149 HE ARG 149 -11.883 -8.963 -8.510 541 HH11 ARG 149 1HH2 ARG 149 -11.615 -9.578 -11.891 542 HH12 ARG 149 2HH2 ARG 149 -12.872 -10.770 -11.923 543 HH21 ARG 149 1HH1 ARG 149 -13.540 -10.528 -8.527 544 HH22 ARG 149 2HH1 ARG 149 -13.965 -11.308 -10.014 Start of MODEL 12 1 H1 ASP 80 1HT ASP 80 -19.287 -7.983 3.566 2 H2 ASP 80 2HT ASP 80 -18.308 -6.659 3.986 3 H3 ASP 80 3HT ASP 80 -19.355 -7.345 5.136 4 HA ASP 80 HA ASP 80 -17.515 -8.401 5.824 5 HB2 ASP 80 2HB ASP 80 -19.012 -10.129 4.839 6 HB3 ASP 80 1HB ASP 80 -18.111 -10.010 3.331 7 H ALA 81 H ALA 81 -16.997 -8.845 2.315 8 HA ALA 81 HA ALA 81 -14.239 -8.752 2.356 9 HB1 ALA 81 1HB ALA 81 -15.416 -9.335 0.322 10 HB2 ALA 81 2HB ALA 81 -14.392 -7.939 -0.016 11 HB3 ALA 81 3HB ALA 81 -16.126 -7.724 0.220 12 H GLU 82 H GLU 82 -16.510 -6.017 2.136 13 HA GLU 82 HA GLU 82 -14.478 -4.038 1.952 14 HB2 GLU 82 2HB GLU 82 -17.069 -3.924 1.447 15 HB3 GLU 82 1HB GLU 82 -17.166 -3.418 3.134 16 HG2 GLU 82 2HG GLU 82 -15.448 -2.152 0.989 17 HG3 GLU 82 1HG GLU 82 -16.916 -1.466 1.676 18 H GLU 83 H GLU 83 -16.293 -5.426 4.638 19 HA GLU 83 HA GLU 83 -15.412 -3.743 6.709 20 HB2 GLU 83 2HB GLU 83 -17.094 -5.574 6.985 21 HB3 GLU 83 1HB GLU 83 -15.775 -6.744 6.910 22 HG2 GLU 83 2HG GLU 83 -14.720 -5.710 8.869 23 HG3 GLU 83 1HG GLU 83 -15.997 -4.496 8.933 24 H GLU 84 H GLU 84 -14.032 -6.987 6.101 25 HA GLU 84 HA GLU 84 -11.677 -6.722 7.453 26 HB2 GLU 84 2HB GLU 84 -12.066 -8.084 4.773 27 HB3 GLU 84 1HB GLU 84 -10.695 -8.343 5.854 28 HG2 GLU 84 2HG GLU 84 -12.225 -9.118 7.619 29 HG3 GLU 84 1HG GLU 84 -13.601 -8.844 6.560 30 H LEU 85 H LEU 85 -12.467 -5.332 4.286 31 HA LEU 85 HA LEU 85 -9.851 -4.583 3.558 32 HB2 LEU 85 2HB LEU 85 -12.149 -4.463 2.251 33 HB3 LEU 85 1HB LEU 85 -12.190 -2.821 2.878 34 HG LEU 85 HG LEU 85 -9.892 -4.031 1.305 35 HD11 LEU 85 1HD1 LEU 85 -12.069 -3.614 0.060 36 HD12 LEU 85 2HD1 LEU 85 -10.654 -2.770 -0.567 37 HD13 LEU 85 3HD1 LEU 85 -11.839 -1.901 0.412 38 HD21 LEU 85 3HD2 LEU 85 -8.861 -2.344 2.536 39 HD22 LEU 85 1HD2 LEU 85 -10.336 -1.388 2.668 40 HD23 LEU 85 2HD2 LEU 85 -9.426 -1.403 1.163 41 H LYS 86 H LYS 86 -12.331 -2.829 5.431 42 HA LYS 86 HA LYS 86 -10.795 -0.480 5.798 43 HB2 LYS 86 2HB LYS 86 -13.087 -1.699 7.325 44 HB3 LYS 86 1HB LYS 86 -12.315 -0.205 7.857 45 HG2 LYS 86 2HG LYS 86 -12.774 0.816 5.653 46 HG3 LYS 86 1HG LYS 86 -13.562 -0.674 5.130 47 HD2 LYS 86 2HD LYS 86 -15.290 -0.435 6.787 48 HD3 LYS 86 1HD LYS 86 -14.438 0.899 7.565 49 HE2 LYS 86 2HE LYS 86 -16.237 1.793 6.178 50 HE3 LYS 86 1HE LYS 86 -14.682 2.228 5.470 51 HZ1 LYS 86 3HZ LYS 86 -16.322 -0.104 4.649 52 HZ2 LYS 86 1HZ LYS 86 -14.877 0.416 3.928 53 HZ3 LYS 86 2HZ LYS 86 -16.272 1.381 3.827 54 H GLU 87 H GLU 87 -11.028 -3.496 7.661 55 HA GLU 87 HA GLU 87 -9.368 -2.601 9.806 56 HB2 GLU 87 2HB GLU 87 -10.917 -4.541 9.968 57 HB3 GLU 87 1HB GLU 87 -9.878 -5.426 8.850 58 HG2 GLU 87 2HG GLU 87 -8.004 -5.261 10.389 59 HG3 GLU 87 1HG GLU 87 -8.957 -4.269 11.490 60 H ALA 88 H ALA 88 -8.720 -4.687 6.970 61 HA ALA 88 HA ALA 88 -6.005 -5.088 7.393 62 HB1 ALA 88 1HB ALA 88 -7.507 -6.081 5.565 63 HB2 ALA 88 2HB ALA 88 -5.848 -5.693 5.108 64 HB3 ALA 88 3HB ALA 88 -7.165 -4.614 4.650 65 H PHE 89 H PHE 89 -7.631 -2.398 5.720 66 HA PHE 89 HA PHE 89 -5.332 -1.001 4.916 67 HB2 PHE 89 2HB PHE 89 -7.556 -0.415 4.098 68 HB3 PHE 89 1HB PHE 89 -8.044 0.077 5.719 69 HD1 PHE 89 1HD PHE 89 -5.926 0.919 2.812 70 HD2 PHE 89 2HD PHE 89 -7.233 2.148 6.711 71 HE1 PHE 89 1HE PHE 89 -5.030 3.185 2.395 72 HE2 PHE 89 2HE PHE 89 -6.324 4.415 6.300 73 HZ PHE 89 HZ PHE 89 -5.218 4.935 4.141 74 H LYS 90 H LYS 90 -7.190 -0.880 7.958 75 HA LYS 90 HA LYS 90 -5.686 1.200 9.148 76 HB2 LYS 90 2HB LYS 90 -7.911 0.437 9.950 77 HB3 LYS 90 1HB LYS 90 -7.166 -1.057 10.518 78 HG2 LYS 90 2HG LYS 90 -5.709 0.209 12.024 79 HG3 LYS 90 1HG LYS 90 -6.373 1.729 11.422 80 HD2 LYS 90 2HD LYS 90 -8.619 1.048 12.221 81 HD3 LYS 90 1HD LYS 90 -7.929 -0.445 12.855 82 HE2 LYS 90 2HE LYS 90 -6.478 0.830 14.361 83 HE3 LYS 90 1HE LYS 90 -7.094 2.345 13.698 84 HZ1 LYS 90 3HZ LYS 90 -9.244 0.698 14.487 85 HZ2 LYS 90 1HZ LYS 90 -8.823 2.240 15.053 86 HZ3 LYS 90 2HZ LYS 90 -8.157 0.858 15.782 87 H VAL 91 H VAL 91 -5.175 -2.279 8.900 88 HA VAL 91 HA VAL 91 -2.994 -2.246 10.822 89 HB VAL 91 HB VAL 91 -3.974 -4.406 8.943 90 HG11 VAL 91 1HG1 VAL 91 -2.578 -5.858 10.524 91 HG12 VAL 91 2HG1 VAL 91 -1.818 -4.361 11.067 92 HG13 VAL 91 3HG1 VAL 91 -1.669 -4.864 9.383 93 HG21 VAL 91 3HG2 VAL 91 -5.472 -3.636 10.853 94 HG22 VAL 91 1HG2 VAL 91 -4.209 -4.180 11.958 95 HG23 VAL 91 2HG2 VAL 91 -5.016 -5.338 10.901 96 H PHE 92 H PHE 92 -3.410 -1.892 7.388 97 HA PHE 92 HA PHE 92 -0.759 -2.542 6.589 98 HB2 PHE 92 2HB PHE 92 -3.020 -1.006 5.371 99 HB3 PHE 92 1HB PHE 92 -1.413 -0.765 4.689 100 HD1 PHE 92 1HD PHE 92 -2.665 -3.912 6.235 101 HD2 PHE 92 2HD PHE 92 -1.669 -1.861 2.598 102 HE1 PHE 92 1HE PHE 92 -2.841 -6.035 4.988 103 HE2 PHE 92 2HE PHE 92 -1.850 -3.980 1.350 104 HZ PHE 92 HZ PHE 92 -2.435 -6.077 2.541 105 H ASP 93 H ASP 93 -2.225 0.372 7.886 106 HA ASP 93 HA ASP 93 0.125 1.977 7.330 107 HB2 ASP 93 2HB ASP 93 -2.332 2.784 7.459 108 HB3 ASP 93 1HB ASP 93 -2.106 2.750 9.206 109 H LYS 94 H LYS 94 1.583 0.429 8.502 110 HA LYS 94 HA LYS 94 1.530 -0.180 11.187 111 HB2 LYS 94 2HB LYS 94 3.312 -0.893 9.591 112 HB3 LYS 94 1HB LYS 94 3.998 0.729 9.684 113 HG2 LYS 94 2HG LYS 94 4.336 0.471 12.104 114 HG3 LYS 94 1HG LYS 94 3.609 -1.136 12.045 115 HD2 LYS 94 2HD LYS 94 5.388 -1.906 10.534 116 HD3 LYS 94 1HD LYS 94 6.107 -0.295 10.543 117 HE2 LYS 94 2HE LYS 94 7.308 -1.695 12.131 118 HE3 LYS 94 1HE LYS 94 6.384 -0.485 13.022 119 HZ1 LYS 94 3HZ LYS 94 4.585 -2.234 13.154 120 HZ2 LYS 94 1HZ LYS 94 5.969 -2.505 14.097 121 HZ3 LYS 94 2HZ LYS 94 5.757 -3.351 12.639 122 H ASP 95 H ASP 95 2.614 2.878 9.708 123 HA ASP 95 HA ASP 95 3.333 4.094 12.190 124 HB2 ASP 95 2HB ASP 95 2.536 5.577 9.711 125 HB3 ASP 95 1HB ASP 95 3.694 6.062 10.939 126 H GLN 96 H GLN 96 0.379 3.261 10.885 127 HA GLN 96 HA GLN 96 -1.799 3.865 11.346 128 HB2 GLN 96 2HB GLN 96 -0.475 4.912 13.862 129 HB3 GLN 96 1HB GLN 96 -2.210 4.697 13.652 130 HG2 GLN 96 2HG GLN 96 -0.172 2.465 13.389 131 HG3 GLN 96 1HG GLN 96 -1.119 2.783 14.842 132 HE21 GLN 96 1HE2 GLN 96 -3.302 2.067 14.881 133 HE22 GLN 96 2HE2 GLN 96 -4.033 1.250 13.585 134 H ASN 97 H ASN 97 -0.164 5.757 9.813 135 HA ASN 97 HA ASN 97 -0.959 8.404 10.757 136 HB2 ASN 97 2HB ASN 97 0.363 7.597 8.154 137 HB3 ASN 97 1HB ASN 97 0.231 9.230 8.809 138 HD21 ASN 97 1HD2 ASN 97 0.693 8.123 11.627 139 HD22 ASN 97 2HD2 ASN 97 2.365 7.838 11.689 140 H GLY 98 H GLY 98 -2.675 6.001 9.368 141 HA2 GLY 98 2HA GLY 98 -4.770 6.037 8.376 142 HA3 GLY 98 1HA GLY 98 -4.686 7.797 8.345 143 H TYR 99 H TYR 99 -1.864 7.039 6.994 144 HA TYR 99 HA TYR 99 -2.955 6.676 4.251 145 HB2 TYR 99 2HB TYR 99 -0.917 8.651 5.273 146 HB3 TYR 99 1HB TYR 99 -0.975 8.178 3.577 147 HD1 TYR 99 2HD TYR 99 -3.206 9.366 6.343 148 HD2 TYR 99 1HD TYR 99 -2.419 9.309 2.124 149 HE1 TYR 99 2HE TYR 99 -5.072 10.949 5.977 150 HE2 TYR 99 1HE TYR 99 -4.289 10.893 1.758 151 HH TYR 99 HH TYR 99 -6.470 11.803 4.360 152 H ILE 100 H ILE 100 -1.884 5.154 3.009 153 HA ILE 100 HA ILE 100 0.212 3.625 4.336 154 HB ILE 100 HB ILE 100 -0.690 3.183 1.499 155 HG12 ILE 100 2HG1 ILE 100 -2.145 2.396 4.049 156 HG13 ILE 100 1HG1 ILE 100 -2.764 3.351 2.707 157 HG21 ILE 100 1HG2 ILE 100 1.254 1.949 2.585 158 HG22 ILE 100 2HG2 ILE 100 -0.026 0.922 1.942 159 HG23 ILE 100 3HG2 ILE 100 0.072 1.226 3.675 160 HD11 ILE 100 3HD1 ILE 100 -2.294 1.304 1.232 161 HD12 ILE 100 1HD1 ILE 100 -3.642 1.170 2.358 162 HD13 ILE 100 2HD1 ILE 100 -2.101 0.407 2.738 163 H SER 101 H SER 101 2.308 4.050 4.117 164 HA SER 101 HA SER 101 3.188 5.907 1.973 165 HB2 SER 101 2HB SER 101 3.778 6.592 4.231 166 HB3 SER 101 1HB SER 101 4.532 5.032 4.542 167 HG SER 101 HG SER 101 5.893 6.917 3.830 168 H ALA 102 H ALA 102 5.379 5.467 1.016 169 HA ALA 102 HA ALA 102 5.447 2.996 -0.282 170 HB1 ALA 102 1HB ALA 102 7.663 3.583 -1.029 171 HB2 ALA 102 2HB ALA 102 7.857 4.728 0.298 172 HB3 ALA 102 3HB ALA 102 6.693 5.056 -0.986 173 H SER 103 H SER 103 7.220 4.052 2.634 174 HA SER 103 HA SER 103 8.719 1.728 3.033 175 HB2 SER 103 2HB SER 103 7.575 3.647 5.062 176 HB3 SER 103 1HB SER 103 8.772 2.407 5.429 177 HG SER 103 HG SER 103 9.899 4.249 4.970 178 H GLU 104 H GLU 104 5.374 2.482 4.023 179 HA GLU 104 HA GLU 104 5.046 0.036 5.449 180 HB2 GLU 104 2HB GLU 104 3.042 2.029 4.368 181 HB3 GLU 104 1HB GLU 104 2.651 0.680 5.405 182 HG2 GLU 104 2HG GLU 104 4.071 1.549 7.171 183 HG3 GLU 104 1HG GLU 104 4.595 2.862 6.133 184 H LEU 105 H LEU 105 4.299 1.157 2.150 185 HA LEU 105 HA LEU 105 2.784 -1.061 1.334 186 HB2 LEU 105 2HB LEU 105 3.376 1.236 0.132 187 HB3 LEU 105 1HB LEU 105 4.673 0.290 -0.580 188 HG LEU 105 HG LEU 105 2.808 0.180 -2.093 189 HD11 LEU 105 1HD1 LEU 105 4.079 -1.975 -1.503 190 HD12 LEU 105 2HD1 LEU 105 2.527 -2.158 -2.313 191 HD13 LEU 105 3HD1 LEU 105 2.642 -2.421 -0.578 192 HD21 LEU 105 3HD2 LEU 105 0.586 -0.145 -1.506 193 HD22 LEU 105 1HD2 LEU 105 1.152 0.685 -0.061 194 HD23 LEU 105 2HD2 LEU 105 0.974 -1.069 -0.061 195 H ARG 106 H ARG 106 6.284 -0.479 1.152 196 HA ARG 106 HA ARG 106 6.846 -3.015 -0.057 197 HB2 ARG 106 2HB ARG 106 9.175 -2.492 0.299 198 HB3 ARG 106 1HB ARG 106 8.347 -1.025 -0.227 199 HG2 ARG 106 2HG ARG 106 8.111 -0.347 2.142 200 HG3 ARG 106 1HG ARG 106 9.050 -1.754 2.631 201 HD2 ARG 106 2HD ARG 106 10.036 0.409 0.775 202 HD3 ARG 106 1HD ARG 106 10.424 0.293 2.489 203 HE ARG 106 HE ARG 106 11.111 -2.158 1.405 204 HH11 ARG 106 1HH2 ARG 106 11.882 1.172 0.977 205 HH12 ARG 106 2HH2 ARG 106 13.502 0.881 0.439 206 HH21 ARG 106 1HH1 ARG 106 13.239 -2.570 0.693 207 HH22 ARG 106 2HH1 ARG 106 14.272 -1.245 0.276 208 H HIS 107 H HIS 107 6.914 -1.784 3.272 209 HA HIS 107 HA HIS 107 8.022 -4.030 4.520 210 HB2 HIS 107 2HB HIS 107 7.567 -1.855 5.653 211 HB3 HIS 107 1HB HIS 107 5.845 -2.235 5.625 212 HD1 HIS 107 1HD HIS 107 5.299 -2.824 7.999 213 HD2 HIS 107 2HD HIS 107 8.801 -4.682 6.707 214 HE1 HIS 107 1HE HIS 107 6.009 -4.389 9.861 215 HE2 HIS 107 2HE HIS 107 8.143 -5.530 9.087 216 H VAL 108 H VAL 108 4.632 -3.301 3.723 217 HA VAL 108 HA VAL 108 3.568 -5.693 4.815 218 HB VAL 108 HB VAL 108 2.535 -3.837 2.663 219 HG11 VAL 108 1HG1 VAL 108 1.312 -6.279 3.959 220 HG12 VAL 108 2HG1 VAL 108 1.452 -5.915 2.240 221 HG13 VAL 108 3HG1 VAL 108 0.320 -5.008 3.243 222 HG21 VAL 108 3HG2 VAL 108 1.191 -2.911 4.406 223 HG22 VAL 108 1HG2 VAL 108 2.805 -3.066 5.099 224 HG23 VAL 108 2HG2 VAL 108 1.557 -4.246 5.498 225 H MET 109 H MET 109 4.714 -4.833 1.557 226 HA MET 109 HA MET 109 3.976 -7.242 0.294 227 HB2 MET 109 2HB MET 109 6.134 -5.209 -0.271 228 HB3 MET 109 1HB MET 109 5.890 -6.618 -1.299 229 HG2 MET 109 2HG MET 109 3.685 -4.662 -0.605 230 HG3 MET 109 1HG MET 109 4.664 -4.543 -2.066 231 HE1 MET 109 3HE MET 109 2.337 -4.400 -3.066 232 HE2 MET 109 1HE MET 109 1.752 -5.819 -3.946 233 HE3 MET 109 2HE MET 109 3.394 -5.235 -4.202 234 H ILE 110 H ILE 110 6.951 -6.304 2.017 235 HA ILE 110 HA ILE 110 8.363 -8.714 1.480 236 HB ILE 110 HB ILE 110 8.627 -6.703 3.725 237 HG12 ILE 110 2HG1 ILE 110 10.374 -7.192 1.295 238 HG13 ILE 110 1HG1 ILE 110 9.081 -5.993 1.329 239 HG21 ILE 110 1HG2 ILE 110 10.282 -9.125 2.978 240 HG22 ILE 110 2HG2 ILE 110 9.596 -8.724 4.553 241 HG23 ILE 110 3HG2 ILE 110 10.945 -7.786 3.914 242 HD11 ILE 110 3HD1 ILE 110 11.236 -4.944 1.883 243 HD12 ILE 110 1HD1 ILE 110 11.457 -6.084 3.210 244 HD13 ILE 110 2HD1 ILE 110 10.152 -4.901 3.272 245 H ASN 111 H ASN 111 6.309 -7.676 4.192 246 HA ASN 111 HA ASN 111 6.592 -10.027 5.734 247 HB2 ASN 111 2HB ASN 111 5.659 -8.017 6.706 248 HB3 ASN 111 1HB ASN 111 4.300 -8.057 5.591 249 HD21 ASN 111 1HD2 ASN 111 4.806 -8.571 8.737 250 HD22 ASN 111 2HD2 ASN 111 3.806 -9.913 9.021 251 H LEU 112 H LEU 112 4.557 -9.211 3.005 252 HA LEU 112 HA LEU 112 2.899 -11.558 3.264 253 HB2 LEU 112 2HB LEU 112 3.215 -9.435 1.148 254 HB3 LEU 112 1HB LEU 112 2.223 -10.853 0.877 255 HG LEU 112 HG LEU 112 1.889 -8.997 3.253 256 HD11 LEU 112 1HD1 LEU 112 0.153 -9.113 0.773 257 HD12 LEU 112 2HD1 LEU 112 1.436 -7.922 0.990 258 HD13 LEU 112 3HD1 LEU 112 0.064 -7.949 2.097 259 HD21 LEU 112 3HD2 LEU 112 0.507 -11.459 2.248 260 HD22 LEU 112 1HD2 LEU 112 -0.494 -10.205 2.967 261 HD23 LEU 112 2HD2 LEU 112 0.806 -10.928 3.901 262 H GLY 113 H GLY 113 6.033 -11.207 2.419 263 HA2 GLY 113 2HA GLY 113 7.488 -12.860 1.604 264 HA3 GLY 113 1HA GLY 113 6.085 -13.794 1.093 265 H GLU 114 H GLU 114 5.998 -10.516 0.147 266 HA GLU 114 HA GLU 114 6.856 -11.230 -2.611 267 HB2 GLU 114 2HB GLU 114 4.703 -9.335 -1.637 268 HB3 GLU 114 1HB GLU 114 5.277 -9.387 -3.304 269 HG2 GLU 114 2HG GLU 114 4.608 -11.734 -3.492 270 HG3 GLU 114 1HG GLU 114 4.106 -11.746 -1.801 271 H LYS 115 H LYS 115 8.446 -9.990 -3.505 272 HA LYS 115 HA LYS 115 9.098 -7.386 -2.246 273 HB2 LYS 115 2HB LYS 115 11.570 -8.097 -2.703 274 HB3 LYS 115 1HB LYS 115 10.763 -8.704 -1.260 275 HG2 LYS 115 2HG LYS 115 10.429 -10.338 -3.743 276 HG3 LYS 115 1HG LYS 115 12.036 -10.333 -3.020 277 HD2 LYS 115 2HD LYS 115 11.069 -10.992 -0.851 278 HD3 LYS 115 1HD LYS 115 9.461 -11.002 -1.567 279 HE2 LYS 115 2HE LYS 115 10.167 -12.740 -3.159 280 HE3 LYS 115 1HE LYS 115 11.783 -12.731 -2.452 281 HZ1 LYS 115 3HZ LYS 115 9.690 -13.040 -0.511 282 HZ2 LYS 115 1HZ LYS 115 11.108 -13.946 -0.729 283 HZ3 LYS 115 2HZ LYS 115 9.726 -14.298 -1.652 284 H LEU 116 H LEU 116 8.812 -5.934 -3.836 285 HA LEU 116 HA LEU 116 9.475 -6.689 -6.624 286 HB2 LEU 116 2HB LEU 116 7.950 -4.248 -5.683 287 HB3 LEU 116 1HB LEU 116 8.037 -4.891 -7.309 288 HG LEU 116 HG LEU 116 5.918 -5.588 -6.425 289 HD11 LEU 116 1HD1 LEU 116 7.672 -8.008 -6.000 290 HD12 LEU 116 2HD1 LEU 116 7.449 -7.317 -7.606 291 HD13 LEU 116 3HD1 LEU 116 6.065 -7.939 -6.708 292 HD21 LEU 116 3HD2 LEU 116 6.984 -7.155 -4.149 293 HD22 LEU 116 1HD2 LEU 116 5.552 -6.141 -4.247 294 HD23 LEU 116 2HD2 LEU 116 7.116 -5.412 -3.945 295 H THR 117 H THR 117 10.636 -5.100 -7.945 296 HA THR 117 HA THR 117 12.956 -4.149 -6.640 297 HB THR 117 HB THR 117 11.919 -3.154 -9.300 298 HG1 THR 117 1HG THR 117 12.628 -5.648 -8.499 299 HG21 THR 117 3HG2 THR 117 13.883 -1.990 -8.519 300 HG22 THR 117 1HG2 THR 117 14.389 -3.114 -9.777 301 HG23 THR 117 2HG2 THR 117 14.664 -3.507 -8.082 302 H ASP 118 H ASP 118 13.664 -1.819 -6.555 303 HA ASP 118 HA ASP 118 11.797 -0.258 -5.128 304 HB2 ASP 118 2HB ASP 118 14.310 -0.080 -5.004 305 HB3 ASP 118 1HB ASP 118 14.254 0.788 -6.537 306 H GLU 119 H GLU 119 12.758 -0.252 -8.532 307 HA GLU 119 HA GLU 119 11.353 2.120 -9.234 308 HB2 GLU 119 2HB GLU 119 12.283 -0.236 -10.876 309 HB3 GLU 119 1HB GLU 119 11.518 1.192 -11.572 310 HG2 GLU 119 2HG GLU 119 13.268 2.627 -10.702 311 HG3 GLU 119 1HG GLU 119 13.981 1.281 -9.813 312 H GLU 120 H GLU 120 10.392 -1.249 -8.876 313 HA GLU 120 HA GLU 120 7.905 -0.980 -10.260 314 HB2 GLU 120 2HB GLU 120 8.917 -2.988 -8.239 315 HB3 GLU 120 1HB GLU 120 7.345 -3.114 -9.032 316 HG2 GLU 120 2HG GLU 120 8.381 -3.241 -11.200 317 HG3 GLU 120 1HG GLU 120 9.969 -2.898 -10.527 318 H VAL 121 H VAL 121 8.864 -0.876 -6.829 319 HA VAL 121 HA VAL 121 6.262 -0.465 -5.803 320 HB VAL 121 HB VAL 121 8.958 0.338 -4.689 321 HG11 VAL 121 1HG1 VAL 121 7.629 0.340 -2.499 322 HG12 VAL 121 2HG1 VAL 121 6.177 0.391 -3.498 323 HG13 VAL 121 3HG1 VAL 121 7.348 1.706 -3.578 324 HG21 VAL 121 3HG2 VAL 121 8.646 -1.675 -3.293 325 HG22 VAL 121 1HG2 VAL 121 8.620 -2.091 -5.007 326 HG23 VAL 121 2HG2 VAL 121 7.110 -2.000 -4.099 327 H GLU 122 H GLU 122 8.837 1.858 -6.660 328 HA GLU 122 HA GLU 122 7.424 4.186 -5.985 329 HB2 GLU 122 2HB GLU 122 9.560 3.709 -8.073 330 HB3 GLU 122 1HB GLU 122 8.953 5.301 -7.638 331 HG2 GLU 122 2HG GLU 122 9.661 4.992 -5.325 332 HG3 GLU 122 1HG GLU 122 10.173 3.344 -5.676 333 H GLN 123 H GLN 123 7.459 2.259 -8.959 334 HA GLN 123 HA GLN 123 5.913 4.048 -10.522 335 HB2 GLN 123 2HB GLN 123 7.196 2.200 -11.516 336 HB3 GLN 123 1HB GLN 123 6.139 1.033 -10.723 337 HG2 GLN 123 2HG GLN 123 4.208 1.903 -11.963 338 HG3 GLN 123 1HG GLN 123 5.226 3.127 -12.719 339 HE21 GLN 123 1HE2 GLN 123 5.903 2.533 -14.779 340 HE22 GLN 123 2HE2 GLN 123 6.145 0.936 -15.302 341 H MET 124 H MET 124 4.961 1.214 -8.536 342 HA MET 124 HA MET 124 2.207 1.424 -9.082 343 HB2 MET 124 2HB MET 124 3.797 0.164 -6.847 344 HB3 MET 124 1HB MET 124 2.047 0.104 -6.899 345 HG2 MET 124 2HG MET 124 2.165 -0.908 -9.165 346 HG3 MET 124 1HG MET 124 3.921 -0.922 -9.032 347 HE1 MET 124 3HE MET 124 4.874 -3.425 -6.535 348 HE2 MET 124 1HE MET 124 4.408 -1.870 -5.838 349 HE3 MET 124 2HE MET 124 5.221 -1.932 -7.399 350 H ILE 125 H ILE 125 4.250 2.779 -6.504 351 HA ILE 125 HA ILE 125 2.135 3.953 -5.021 352 HB ILE 125 HB ILE 125 5.063 4.684 -5.288 353 HG12 ILE 125 2HG1 ILE 125 4.170 2.418 -4.244 354 HG13 ILE 125 1HG1 ILE 125 5.441 3.321 -3.427 355 HG21 ILE 125 1HG2 ILE 125 4.026 6.678 -4.521 356 HG22 ILE 125 2HG2 ILE 125 4.592 5.878 -3.054 357 HG23 ILE 125 3HG2 ILE 125 2.889 5.792 -3.504 358 HD11 ILE 125 3HD1 ILE 125 3.395 2.488 -2.032 359 HD12 ILE 125 1HD1 ILE 125 2.556 3.849 -2.763 360 HD13 ILE 125 2HD1 ILE 125 3.981 4.132 -1.777 361 H LYS 126 H LYS 126 4.242 5.184 -7.565 362 HA LYS 126 HA LYS 126 3.081 7.779 -7.675 363 HB2 LYS 126 2HB LYS 126 4.682 6.248 -9.692 364 HB3 LYS 126 1HB LYS 126 4.236 7.934 -9.877 365 HG2 LYS 126 2HG LYS 126 5.609 7.017 -7.357 366 HG3 LYS 126 1HG LYS 126 6.564 7.317 -8.809 367 HD2 LYS 126 2HD LYS 126 5.611 9.599 -8.955 368 HD3 LYS 126 1HD LYS 126 4.702 9.309 -7.479 369 HE2 LYS 126 2HE LYS 126 6.684 10.487 -6.842 370 HE3 LYS 126 1HE LYS 126 6.900 8.812 -6.331 371 HZ1 LYS 126 3HZ LYS 126 8.640 8.601 -7.667 372 HZ2 LYS 126 1HZ LYS 126 8.569 10.270 -7.960 373 HZ3 LYS 126 2HZ LYS 126 7.777 9.192 -9.007 374 H GLU 127 H GLU 127 2.531 4.815 -9.487 375 HA GLU 127 HA GLU 127 0.576 5.956 -11.242 376 HB2 GLU 127 2HB GLU 127 1.928 3.911 -11.715 377 HB3 GLU 127 1HB GLU 127 0.941 3.062 -10.539 378 HG2 GLU 127 2HG GLU 127 -1.089 3.595 -11.815 379 HG3 GLU 127 1HG GLU 127 -0.122 4.478 -12.996 380 H ALA 128 H ALA 128 0.492 4.233 -8.188 381 HA ALA 128 HA ALA 128 -2.360 3.867 -8.164 382 HB1 ALA 128 1HB ALA 128 -0.357 3.815 -5.902 383 HB2 ALA 128 2HB ALA 128 -0.949 2.430 -6.817 384 HB3 ALA 128 3HB ALA 128 -2.047 3.328 -5.767 385 H ASP 129 H ASP 129 -0.192 6.399 -7.071 386 HA ASP 129 HA ASP 129 -2.068 7.731 -5.415 387 HB2 ASP 129 2HB ASP 129 0.402 8.035 -5.404 388 HB3 ASP 129 1HB ASP 129 0.244 9.009 -6.850 389 H LEU 130 H LEU 130 -3.934 8.469 -6.152 390 HA LEU 130 HA LEU 130 -4.108 9.559 -8.846 391 HB2 LEU 130 2HB LEU 130 -5.902 8.063 -8.131 392 HB3 LEU 130 1HB LEU 130 -6.255 9.113 -6.761 393 HG LEU 130 HG LEU 130 -6.907 10.933 -8.275 394 HD11 LEU 130 1HD1 LEU 130 -5.869 9.021 -10.358 395 HD12 LEU 130 2HD1 LEU 130 -5.567 10.752 -10.188 396 HD13 LEU 130 3HD1 LEU 130 -7.122 10.185 -10.788 397 HD21 LEU 130 3HD2 LEU 130 -8.164 8.253 -8.930 398 HD22 LEU 130 1HD2 LEU 130 -8.867 9.807 -9.382 399 HD23 LEU 130 2HD2 LEU 130 -8.676 9.387 -7.680 400 H ASP 131 H ASP 131 -4.116 10.666 -5.527 401 HA ASP 131 HA ASP 131 -5.122 13.294 -6.151 402 HB2 ASP 131 2HB ASP 131 -3.646 12.392 -3.679 403 HB3 ASP 131 1HB ASP 131 -4.672 13.811 -3.843 404 H GLY 132 H GLY 132 -2.078 11.796 -6.543 405 HA2 GLY 132 2HA GLY 132 -0.081 12.675 -7.261 406 HA3 GLY 132 1HA GLY 132 -0.892 14.230 -7.421 407 H ASP 133 H ASP 133 -0.946 12.554 -4.342 408 HA ASP 133 HA ASP 133 0.652 14.740 -3.187 409 HB2 ASP 133 2HB ASP 133 -0.153 13.855 -1.022 410 HB3 ASP 133 1HB ASP 133 -1.482 14.249 -2.112 411 H GLY 134 H GLY 134 0.952 11.475 -4.147 412 HA2 GLY 134 2HA GLY 134 2.994 10.302 -4.263 413 HA3 GLY 134 1HA GLY 134 3.656 11.364 -3.024 414 H GLN 135 H GLN 135 0.642 10.562 -2.014 415 HA GLN 135 HA GLN 135 1.629 8.275 -0.408 416 HB2 GLN 135 2HB GLN 135 0.221 10.790 0.235 417 HB3 GLN 135 1HB GLN 135 -0.467 9.366 0.985 418 HG2 GLN 135 2HG GLN 135 1.599 8.798 2.035 419 HG3 GLN 135 1HG GLN 135 2.479 9.997 1.086 420 HE21 GLN 135 1HE2 GLN 135 2.905 10.388 3.698 421 HE22 GLN 135 2HE2 GLN 135 1.939 11.629 4.338 422 H VAL 136 H VAL 136 0.400 6.456 -0.298 423 HA VAL 136 HA VAL 136 -1.868 6.294 -2.147 424 HB VAL 136 HB VAL 136 -0.360 4.261 -0.499 425 HG11 VAL 136 1HG1 VAL 136 -2.915 3.961 -2.096 426 HG12 VAL 136 2HG1 VAL 136 -2.613 3.469 -0.430 427 HG13 VAL 136 3HG1 VAL 136 -1.850 2.596 -1.757 428 HG21 VAL 136 3HG2 VAL 136 0.277 3.398 -2.674 429 HG22 VAL 136 1HG2 VAL 136 0.620 5.129 -2.632 430 HG23 VAL 136 2HG2 VAL 136 -0.805 4.533 -3.481 431 H ASN 137 H ASN 137 -3.796 7.067 -1.334 432 HA ASN 137 HA ASN 137 -4.340 6.753 1.544 433 HB2 ASN 137 2HB ASN 137 -6.155 8.330 1.186 434 HB3 ASN 137 1HB ASN 137 -4.680 8.978 0.472 435 HD21 ASN 137 1HD2 ASN 137 -6.475 10.257 -0.783 436 HD22 ASN 137 2HD2 ASN 137 -7.031 9.545 -2.220 437 H TYR 138 H TYR 138 -6.825 6.319 1.956 438 HA TYR 138 HA TYR 138 -7.355 3.672 1.361 439 HB2 TYR 138 2HB TYR 138 -8.516 4.918 3.125 440 HB3 TYR 138 1HB TYR 138 -9.374 5.854 1.903 441 HD1 TYR 138 2HD TYR 138 -11.103 4.839 0.511 442 HD2 TYR 138 1HD TYR 138 -9.042 2.559 3.509 443 HE1 TYR 138 2HE TYR 138 -12.820 3.061 0.340 444 HE2 TYR 138 1HE TYR 138 -10.755 0.786 3.336 445 HH TYR 138 HH TYR 138 -13.615 1.081 2.263 446 H GLU 139 H GLU 139 -8.505 6.570 -0.411 447 HA GLU 139 HA GLU 139 -10.181 5.203 -2.204 448 HB2 GLU 139 2HB GLU 139 -10.014 7.716 -1.810 449 HB3 GLU 139 1HB GLU 139 -8.604 7.693 -2.869 450 HG2 GLU 139 2HG GLU 139 -11.280 6.552 -3.703 451 HG3 GLU 139 1HG GLU 139 -10.830 8.229 -3.994 452 H GLU 140 H GLU 140 -6.772 6.157 -2.590 453 HA GLU 140 HA GLU 140 -6.533 4.933 -5.137 454 HB2 GLU 140 2HB GLU 140 -4.398 5.657 -3.136 455 HB3 GLU 140 1HB GLU 140 -4.100 5.194 -4.782 456 HG2 GLU 140 2HG GLU 140 -5.013 7.143 -5.667 457 HG3 GLU 140 1HG GLU 140 -6.026 7.411 -4.269 458 H PHE 141 H PHE 141 -5.918 3.826 -1.818 459 HA PHE 141 HA PHE 141 -4.679 1.394 -2.527 460 HB2 PHE 141 2HB PHE 141 -4.663 2.373 -0.232 461 HB3 PHE 141 1HB PHE 141 -6.376 1.985 -0.086 462 HD1 PHE 141 2HD PHE 141 -3.081 0.385 -0.897 463 HD2 PHE 141 1HD PHE 141 -7.014 -0.103 0.766 464 HE1 PHE 141 2HE PHE 141 -2.498 -1.918 -0.190 465 HE2 PHE 141 1HE PHE 141 -6.429 -2.407 1.471 466 HZ PHE 141 HZ PHE 141 -4.170 -3.314 0.994 467 H VAL 142 H VAL 142 -8.046 2.059 -1.547 468 HA VAL 142 HA VAL 142 -9.029 -0.514 -2.055 469 HB VAL 142 HB VAL 142 -10.218 1.356 -0.835 470 HG11 VAL 142 1HG1 VAL 142 -11.091 2.215 -3.596 471 HG12 VAL 142 2HG1 VAL 142 -9.781 2.979 -2.728 472 HG13 VAL 142 3HG1 VAL 142 -11.394 3.022 -2.060 473 HG21 VAL 142 3HG2 VAL 142 -12.440 0.613 -1.511 474 HG22 VAL 142 1HG2 VAL 142 -11.339 -0.762 -1.560 475 HG23 VAL 142 2HG2 VAL 142 -11.812 0.036 -3.056 476 H LYS 143 H LYS 143 -8.849 2.330 -4.143 477 HA LYS 143 HA LYS 143 -10.097 1.218 -6.415 478 HB2 LYS 143 2HB LYS 143 -9.621 3.624 -6.059 479 HB3 LYS 143 1HB LYS 143 -7.907 3.300 -6.284 480 HG2 LYS 143 2HG LYS 143 -8.347 2.464 -8.554 481 HG3 LYS 143 1HG LYS 143 -10.074 2.750 -8.335 482 HD2 LYS 143 2HD LYS 143 -9.630 5.161 -8.008 483 HD3 LYS 143 1HD LYS 143 -7.907 4.871 -8.251 484 HE2 LYS 143 2HE LYS 143 -8.376 4.005 -10.519 485 HE3 LYS 143 1HE LYS 143 -10.095 4.321 -10.279 486 HZ1 LYS 143 3HZ LYS 143 -9.433 6.221 -11.332 487 HZ2 LYS 143 1HZ LYS 143 -7.887 6.221 -10.635 488 HZ3 LYS 143 2HZ LYS 143 -9.233 6.694 -9.712 489 H MET 144 H MET 144 -6.652 1.491 -5.539 490 HA MET 144 HA MET 144 -5.612 0.075 -7.757 491 HB2 MET 144 2HB MET 144 -4.289 1.413 -6.065 492 HB3 MET 144 1HB MET 144 -4.473 0.073 -4.960 493 HG2 MET 144 2HG MET 144 -3.349 -1.427 -6.592 494 HG3 MET 144 1HG MET 144 -3.112 -0.049 -7.668 495 HE1 MET 144 3HE MET 144 -1.030 -0.998 -3.709 496 HE2 MET 144 1HE MET 144 -1.575 -2.160 -4.927 497 HE3 MET 144 2HE MET 144 -2.753 -1.212 -4.021 498 H MET 145 H MET 145 -6.766 -0.927 -4.602 499 HA MET 145 HA MET 145 -5.992 -3.638 -4.821 500 HB2 MET 145 2HB MET 145 -6.611 -2.602 -2.662 501 HB3 MET 145 1HB MET 145 -8.281 -2.477 -3.212 502 HG2 MET 145 2HG MET 145 -8.419 -4.919 -3.432 503 HG3 MET 145 1HG MET 145 -6.730 -5.076 -2.951 504 HE1 MET 145 3HE MET 145 -6.125 -5.740 -0.660 505 HE2 MET 145 1HE MET 145 -6.553 -4.699 0.706 506 HE3 MET 145 2HE MET 145 -5.807 -4.009 -0.733 507 H MET 146 H MET 146 -8.925 -1.886 -5.740 508 HA MET 146 HA MET 146 -10.468 -4.142 -6.462 509 HB2 MET 146 2HB MET 146 -10.531 -1.234 -7.252 510 HB3 MET 146 1HB MET 146 -11.637 -2.400 -7.979 511 HG2 MET 146 2HG MET 146 -12.540 -2.989 -5.812 512 HG3 MET 146 1HG MET 146 -11.333 -2.012 -4.989 513 HE1 MET 146 3HE MET 146 -14.191 -2.301 -7.295 514 HE2 MET 146 1HE MET 146 -13.493 -1.045 -8.325 515 HE3 MET 146 2HE MET 146 -14.962 -0.724 -7.411 516 H THR 147 H THR 147 -8.132 -2.155 -8.229 517 HA THR 147 HA THR 147 -8.563 -3.220 -10.793 518 HB THR 147 HB THR 147 -5.915 -2.277 -9.660 519 HG1 THR 147 1HG THR 147 -7.099 -0.556 -9.330 520 HG21 THR 147 3HG2 THR 147 -5.800 -3.344 -11.879 521 HG22 THR 147 1HG2 THR 147 -5.494 -1.611 -11.996 522 HG23 THR 147 2HG2 THR 147 -7.064 -2.262 -12.465 523 H VAL 148 H VAL 148 -5.704 -3.951 -8.796 524 HA VAL 148 HA VAL 148 -5.145 -6.374 -10.149 525 HB VAL 148 HB VAL 148 -4.220 -5.335 -7.463 526 HG11 VAL 148 1HG1 VAL 148 -3.920 -7.735 -7.470 527 HG12 VAL 148 2HG1 VAL 148 -2.351 -7.000 -7.799 528 HG13 VAL 148 3HG1 VAL 148 -3.290 -7.700 -9.117 529 HG21 VAL 148 3HG2 VAL 148 -3.635 -4.020 -9.543 530 HG22 VAL 148 1HG2 VAL 148 -2.793 -5.451 -10.140 531 HG23 VAL 148 2HG2 VAL 148 -2.236 -4.648 -8.671 532 H ARG 149 H ARG 149 -6.725 -5.704 -7.040 533 HA ARG 149 HA ARG 149 -7.895 -7.113 -5.613 534 HB2 ARG 149 2HB ARG 149 -9.495 -6.736 -7.486 535 HB3 ARG 149 1HB ARG 149 -8.879 -8.191 -8.268 536 HG2 ARG 149 2HG ARG 149 -9.535 -9.523 -6.274 537 HG3 ARG 149 1HG ARG 149 -10.189 -8.063 -5.534 538 HD2 ARG 149 2HD ARG 149 -11.714 -7.818 -7.502 539 HD3 ARG 149 1HD ARG 149 -11.123 -9.365 -8.104 540 HE ARG 149 HE ARG 149 -12.026 -9.671 -5.433 541 HH11 ARG 149 1HH2 ARG 149 -13.115 -9.091 -8.655 542 HH12 ARG 149 2HH2 ARG 149 -14.659 -9.841 -8.424 543 HH21 ARG 149 1HH1 ARG 149 -14.052 -10.665 -5.108 544 HH22 ARG 149 2HH1 ARG 149 -15.191 -10.734 -6.412 Start of MODEL 13 1 H1 ASP 80 1HT ASP 80 -16.249 -8.287 6.542 2 H2 ASP 80 2HT ASP 80 -16.947 -9.803 6.230 3 H3 ASP 80 3HT ASP 80 -17.861 -8.583 6.980 4 HA ASP 80 HA ASP 80 -17.978 -9.129 4.372 5 HB2 ASP 80 2HB ASP 80 -18.344 -6.518 5.857 6 HB3 ASP 80 1HB ASP 80 -18.848 -6.741 4.181 7 H ALA 81 H ALA 81 -17.329 -7.954 2.424 8 HA ALA 81 HA ALA 81 -14.553 -7.684 2.161 9 HB1 ALA 81 1HB ALA 81 -15.111 -6.468 0.012 10 HB2 ALA 81 2HB ALA 81 -16.810 -6.582 0.473 11 HB3 ALA 81 3HB ALA 81 -15.872 -8.050 0.191 12 H GLU 82 H GLU 82 -17.046 -5.134 2.467 13 HA GLU 82 HA GLU 82 -15.199 -2.998 2.485 14 HB2 GLU 82 2HB GLU 82 -17.862 -3.080 2.255 15 HB3 GLU 82 1HB GLU 82 -17.794 -2.754 3.985 16 HG2 GLU 82 2HG GLU 82 -16.470 -1.136 1.795 17 HG3 GLU 82 1HG GLU 82 -17.859 -0.643 2.760 18 H GLU 83 H GLU 83 -16.528 -5.031 5.028 19 HA GLU 83 HA GLU 83 -15.513 -3.490 7.212 20 HB2 GLU 83 2HB GLU 83 -17.278 -5.193 7.514 21 HB3 GLU 83 1HB GLU 83 -16.116 -6.459 7.107 22 HG2 GLU 83 2HG GLU 83 -14.728 -5.836 9.027 23 HG3 GLU 83 1HG GLU 83 -15.828 -4.514 9.417 24 H GLU 84 H GLU 84 -14.395 -6.707 6.130 25 HA GLU 84 HA GLU 84 -11.949 -6.718 7.353 26 HB2 GLU 84 2HB GLU 84 -12.934 -8.597 6.017 27 HB3 GLU 84 1HB GLU 84 -12.423 -7.765 4.553 28 HG2 GLU 84 2HG GLU 84 -10.715 -9.381 5.124 29 HG3 GLU 84 1HG GLU 84 -10.074 -7.775 5.443 30 H LEU 85 H LEU 85 -12.794 -5.109 4.295 31 HA LEU 85 HA LEU 85 -10.185 -4.403 3.551 32 HB2 LEU 85 2HB LEU 85 -12.048 -4.175 1.992 33 HB3 LEU 85 1HB LEU 85 -12.802 -2.959 3.025 34 HG LEU 85 HG LEU 85 -10.878 -1.455 2.675 35 HD11 LEU 85 1HD1 LEU 85 -9.794 -3.883 1.268 36 HD12 LEU 85 2HD1 LEU 85 -8.991 -2.792 2.402 37 HD13 LEU 85 3HD1 LEU 85 -9.279 -2.280 0.745 38 HD21 LEU 85 3HD2 LEU 85 -11.401 -0.781 0.488 39 HD22 LEU 85 1HD2 LEU 85 -12.846 -1.664 0.985 40 HD23 LEU 85 2HD2 LEU 85 -11.658 -2.438 -0.064 41 H LYS 86 H LYS 86 -12.582 -2.641 5.519 42 HA LYS 86 HA LYS 86 -10.982 -0.363 5.971 43 HB2 LYS 86 2HB LYS 86 -13.238 -1.600 7.556 44 HB3 LYS 86 1HB LYS 86 -12.455 -0.096 8.034 45 HG2 LYS 86 2HG LYS 86 -13.417 -0.377 5.189 46 HG3 LYS 86 1HG LYS 86 -14.607 -0.069 6.451 47 HD2 LYS 86 2HD LYS 86 -12.112 1.626 6.394 48 HD3 LYS 86 1HD LYS 86 -13.383 1.955 5.220 49 HE2 LYS 86 2HE LYS 86 -15.000 2.329 6.958 50 HE3 LYS 86 1HE LYS 86 -13.905 1.720 8.196 51 HZ1 LYS 86 3HZ LYS 86 -12.422 3.557 7.761 52 HZ2 LYS 86 1HZ LYS 86 -13.967 4.136 8.155 53 HZ3 LYS 86 2HZ LYS 86 -13.449 4.136 6.536 54 H GLU 87 H GLU 87 -11.230 -3.457 7.673 55 HA GLU 87 HA GLU 87 -9.548 -2.710 9.851 56 HB2 GLU 87 2HB GLU 87 -11.129 -4.680 9.803 57 HB3 GLU 87 1HB GLU 87 -9.972 -5.495 8.747 58 HG2 GLU 87 2HG GLU 87 -9.501 -6.198 10.999 59 HG3 GLU 87 1HG GLU 87 -8.213 -5.097 10.513 60 H ALA 88 H ALA 88 -8.923 -4.629 6.895 61 HA ALA 88 HA ALA 88 -6.207 -5.069 7.259 62 HB1 ALA 88 1HB ALA 88 -6.054 -5.388 4.874 63 HB2 ALA 88 2HB ALA 88 -7.505 -4.425 4.600 64 HB3 ALA 88 3HB ALA 88 -7.624 -5.995 5.397 65 H PHE 89 H PHE 89 -7.829 -2.245 5.817 66 HA PHE 89 HA PHE 89 -5.539 -0.810 5.071 67 HB2 PHE 89 2HB PHE 89 -7.844 -0.164 4.431 68 HB3 PHE 89 1HB PHE 89 -8.171 0.291 6.102 69 HD1 PHE 89 2HD PHE 89 -6.132 1.090 3.106 70 HD2 PHE 89 1HD PHE 89 -7.324 2.345 7.033 71 HE1 PHE 89 2HE PHE 89 -5.134 3.313 2.693 72 HE2 PHE 89 1HE PHE 89 -6.312 4.571 6.625 73 HZ PHE 89 HZ PHE 89 -5.205 5.051 4.457 74 H LYS 90 H LYS 90 -7.338 -0.830 8.156 75 HA LYS 90 HA LYS 90 -5.744 1.076 9.476 76 HB2 LYS 90 2HB LYS 90 -7.358 -1.251 10.542 77 HB3 LYS 90 1HB LYS 90 -6.609 -0.035 11.572 78 HG2 LYS 90 2HG LYS 90 -8.391 0.835 9.295 79 HG3 LYS 90 1HG LYS 90 -9.113 0.283 10.806 80 HD2 LYS 90 2HD LYS 90 -7.768 1.952 12.049 81 HD3 LYS 90 1HD LYS 90 -7.091 2.531 10.534 82 HE2 LYS 90 2HE LYS 90 -9.325 3.138 9.734 83 HE3 LYS 90 1HE LYS 90 -10.029 2.537 11.235 84 HZ1 LYS 90 3HZ LYS 90 -9.671 4.532 12.092 85 HZ2 LYS 90 1HZ LYS 90 -8.826 5.045 10.714 86 HZ3 LYS 90 2HZ LYS 90 -7.998 4.256 11.972 87 H VAL 91 H VAL 91 -5.289 -2.361 8.935 88 HA VAL 91 HA VAL 91 -3.103 -2.609 10.779 89 HB VAL 91 HB VAL 91 -3.939 -4.382 8.474 90 HG11 VAL 91 1HG1 VAL 91 -1.620 -4.813 8.975 91 HG12 VAL 91 2HG1 VAL 91 -2.562 -6.081 9.758 92 HG13 VAL 91 3HG1 VAL 91 -1.925 -4.742 10.712 93 HG21 VAL 91 3HG2 VAL 91 -5.021 -5.712 10.177 94 HG22 VAL 91 1HG2 VAL 91 -5.565 -4.048 10.391 95 HG23 VAL 91 2HG2 VAL 91 -4.335 -4.720 11.463 96 H PHE 92 H PHE 92 -3.385 -2.071 7.288 97 HA PHE 92 HA PHE 92 -0.641 -2.247 6.669 98 HB2 PHE 92 2HB PHE 92 -2.994 -0.895 5.378 99 HB3 PHE 92 1HB PHE 92 -1.379 -0.488 4.801 100 HD1 PHE 92 2HD PHE 92 -2.604 -3.761 6.113 101 HD2 PHE 92 1HD PHE 92 -1.260 -1.541 2.694 102 HE1 PHE 92 2HE PHE 92 -2.550 -5.843 4.790 103 HE2 PHE 92 1HE PHE 92 -1.210 -3.622 1.364 104 HZ PHE 92 HZ PHE 92 -1.856 -5.782 2.411 105 H ASP 93 H ASP 93 -2.584 0.403 7.934 106 HA ASP 93 HA ASP 93 -0.579 2.396 7.580 107 HB2 ASP 93 2HB ASP 93 -3.094 2.739 7.944 108 HB3 ASP 93 1HB ASP 93 -2.764 2.475 9.656 109 H LYS 94 H LYS 94 1.269 1.137 8.428 110 HA LYS 94 HA LYS 94 1.524 0.248 11.064 111 HB2 LYS 94 2HB LYS 94 3.208 -0.107 9.242 112 HB3 LYS 94 1HB LYS 94 3.707 1.572 9.435 113 HG2 LYS 94 2HG LYS 94 4.325 1.158 11.766 114 HG3 LYS 94 1HG LYS 94 3.751 -0.506 11.642 115 HD2 LYS 94 2HD LYS 94 5.428 -0.950 9.877 116 HD3 LYS 94 1HD LYS 94 6.015 0.706 10.029 117 HE2 LYS 94 2HE LYS 94 6.629 0.300 12.368 118 HE3 LYS 94 1HE LYS 94 5.992 -1.340 12.265 119 HZ1 LYS 94 3HZ LYS 94 8.297 -0.211 10.780 120 HZ2 LYS 94 1HZ LYS 94 7.604 -1.719 10.427 121 HZ3 LYS 94 2HZ LYS 94 8.324 -1.451 11.942 122 H ASP 95 H ASP 95 2.335 3.482 9.746 123 HA ASP 95 HA ASP 95 2.946 4.576 12.315 124 HB2 ASP 95 2HB ASP 95 2.147 6.205 9.910 125 HB3 ASP 95 1HB ASP 95 3.278 6.617 11.195 126 H GLN 96 H GLN 96 0.095 3.554 11.082 127 HA GLN 96 HA GLN 96 -2.132 4.082 11.440 128 HB2 GLN 96 2HB GLN 96 -1.124 3.503 13.756 129 HB3 GLN 96 1HB GLN 96 -1.218 5.234 14.071 130 HG2 GLN 96 2HG GLN 96 -3.262 4.279 14.892 131 HG3 GLN 96 1HG GLN 96 -3.673 5.108 13.394 132 HE21 GLN 96 1HE2 GLN 96 -5.292 3.824 12.473 133 HE22 GLN 96 2HE2 GLN 96 -5.152 2.152 12.213 134 H ASN 97 H ASN 97 -0.566 6.160 10.093 135 HA ASN 97 HA ASN 97 -1.499 8.688 11.235 136 HB2 ASN 97 2HB ASN 97 -0.236 9.742 9.462 137 HB3 ASN 97 1HB ASN 97 0.760 8.495 10.217 138 HD21 ASN 97 1HD2 ASN 97 1.330 9.327 7.562 139 HD22 ASN 97 2HD2 ASN 97 0.946 8.062 6.499 140 H GLY 98 H GLY 98 -2.839 6.338 9.272 141 HA2 GLY 98 2HA GLY 98 -5.037 6.483 8.405 142 HA3 GLY 98 1HA GLY 98 -4.865 8.232 8.297 143 H TYR 99 H TYR 99 -2.047 7.463 7.099 144 HA TYR 99 HA TYR 99 -3.026 6.960 4.330 145 HB2 TYR 99 2HB TYR 99 -1.076 8.976 5.422 146 HB3 TYR 99 1HB TYR 99 -0.864 8.372 3.783 147 HD1 TYR 99 1HD TYR 99 -3.599 9.637 6.022 148 HD2 TYR 99 2HD TYR 99 -1.954 9.495 2.059 149 HE1 TYR 99 1HE TYR 99 -5.394 11.139 5.225 150 HE2 TYR 99 2HE TYR 99 -3.749 11.002 1.262 151 HH TYR 99 HH TYR 99 -6.364 12.056 3.426 152 H ILE 100 H ILE 100 -2.031 5.308 3.250 153 HA ILE 100 HA ILE 100 0.025 3.814 4.669 154 HB ILE 100 HB ILE 100 -0.937 3.280 1.854 155 HG12 ILE 100 2HG1 ILE 100 -2.210 2.358 4.470 156 HG13 ILE 100 1HG1 ILE 100 -2.914 3.481 3.318 157 HG21 ILE 100 1HG2 ILE 100 0.046 1.432 4.051 158 HG22 ILE 100 2HG2 ILE 100 1.076 2.090 2.780 159 HG23 ILE 100 3HG2 ILE 100 -0.254 1.009 2.365 160 HD11 ILE 100 3HD1 ILE 100 -2.217 0.575 2.797 161 HD12 ILE 100 1HD1 ILE 100 -2.797 1.699 1.568 162 HD13 ILE 100 2HD1 ILE 100 -3.828 1.261 2.923 163 H SER 101 H SER 101 2.150 4.097 4.410 164 HA SER 101 HA SER 101 3.099 5.939 2.311 165 HB2 SER 101 2HB SER 101 4.765 4.701 4.499 166 HB3 SER 101 1HB SER 101 5.078 6.176 3.592 167 HG SER 101 HG SER 101 2.691 5.974 5.034 168 H ALA 102 H ALA 102 4.822 5.392 0.880 169 HA ALA 102 HA ALA 102 4.678 2.909 -0.349 170 HB1 ALA 102 1HB ALA 102 7.204 4.566 -0.264 171 HB2 ALA 102 2HB ALA 102 5.804 5.005 -1.241 172 HB3 ALA 102 3HB ALA 102 6.657 3.492 -1.551 173 H SER 103 H SER 103 6.835 3.970 2.270 174 HA SER 103 HA SER 103 8.439 1.650 2.380 175 HB2 SER 103 2HB SER 103 7.654 3.586 4.575 176 HB3 SER 103 1HB SER 103 8.909 2.357 4.726 177 HG SER 103 HG SER 103 8.820 4.431 2.780 178 H GLU 104 H GLU 104 5.314 2.417 3.953 179 HA GLU 104 HA GLU 104 5.220 0.094 5.533 180 HB2 GLU 104 2HB GLU 104 3.049 1.884 4.432 181 HB3 GLU 104 1HB GLU 104 2.764 0.595 5.574 182 HG2 GLU 104 2HG GLU 104 4.317 1.638 7.168 183 HG3 GLU 104 1HG GLU 104 4.597 2.942 6.029 184 H LEU 105 H LEU 105 4.152 0.793 2.215 185 HA LEU 105 HA LEU 105 2.782 -1.644 1.791 186 HB2 LEU 105 2HB LEU 105 2.942 0.589 0.347 187 HB3 LEU 105 1HB LEU 105 4.227 -0.289 -0.465 188 HG LEU 105 HG LEU 105 2.175 -0.715 -1.667 189 HD11 LEU 105 1HD1 LEU 105 2.531 -3.197 -0.002 190 HD12 LEU 105 2HD1 LEU 105 3.799 -2.651 -1.107 191 HD13 LEU 105 3HD1 LEU 105 2.203 -3.065 -1.725 192 HD21 LEU 105 3HD2 LEU 105 0.803 -0.246 0.594 193 HD22 LEU 105 1HD2 LEU 105 0.827 -2.008 0.689 194 HD23 LEU 105 2HD2 LEU 105 0.126 -1.209 -0.712 195 H ARG 106 H ARG 106 6.151 -0.691 1.344 196 HA ARG 106 HA ARG 106 7.008 -3.069 0.064 197 HB2 ARG 106 2HB ARG 106 8.497 -1.033 1.741 198 HB3 ARG 106 1HB ARG 106 9.297 -2.395 0.953 199 HG2 ARG 106 2HG ARG 106 8.277 -1.631 -1.227 200 HG3 ARG 106 1HG ARG 106 7.709 -0.194 -0.386 201 HD2 ARG 106 2HD ARG 106 10.610 -1.039 -0.447 202 HD3 ARG 106 1HD ARG 106 9.904 0.057 -1.630 203 HE ARG 106 HE ARG 106 10.493 0.658 1.156 204 HH11 ARG 106 1HH2 ARG 106 8.736 1.426 -1.713 205 HH12 ARG 106 2HH2 ARG 106 8.507 3.093 -1.304 206 HH21 ARG 106 1HH1 ARG 106 10.204 2.852 1.713 207 HH22 ARG 106 2HH1 ARG 106 9.340 3.902 0.641 208 H HIS 107 H HIS 107 6.997 -2.142 3.514 209 HA HIS 107 HA HIS 107 8.167 -4.433 4.559 210 HB2 HIS 107 2HB HIS 107 5.870 -2.880 5.780 211 HB3 HIS 107 1HB HIS 107 7.024 -3.898 6.629 212 HD1 HIS 107 1HD HIS 107 6.496 -0.582 6.583 213 HD2 HIS 107 2HD HIS 107 9.823 -2.757 5.323 214 HE1 HIS 107 1HE HIS 107 8.461 1.026 6.612 215 HE2 HIS 107 2HE HIS 107 10.495 -0.287 5.846 216 H VAL 108 H VAL 108 4.783 -3.829 3.671 217 HA VAL 108 HA VAL 108 3.794 -6.340 4.550 218 HB VAL 108 HB VAL 108 2.763 -4.496 2.379 219 HG11 VAL 108 1HG1 VAL 108 0.586 -5.702 2.936 220 HG12 VAL 108 2HG1 VAL 108 1.567 -6.900 3.774 221 HG13 VAL 108 3HG1 VAL 108 1.769 -6.650 2.039 222 HG21 VAL 108 3HG2 VAL 108 2.969 -3.580 4.742 223 HG22 VAL 108 1HG2 VAL 108 1.839 -4.837 5.247 224 HG23 VAL 108 2HG2 VAL 108 1.324 -3.604 4.096 225 H MET 109 H MET 109 5.093 -5.227 1.427 226 HA MET 109 HA MET 109 4.534 -7.555 -0.052 227 HB2 MET 109 2HB MET 109 6.669 -5.427 -0.275 228 HB3 MET 109 1HB MET 109 6.596 -6.775 -1.406 229 HG2 MET 109 2HG MET 109 4.238 -4.969 -0.837 230 HG3 MET 109 1HG MET 109 5.365 -4.703 -2.167 231 HE1 MET 109 3HE MET 109 2.330 -5.944 -4.078 232 HE2 MET 109 1HE MET 109 3.290 -4.581 -3.490 233 HE3 MET 109 2HE MET 109 2.045 -5.292 -2.467 234 H ILE 110 H ILE 110 7.368 -6.704 1.939 235 HA ILE 110 HA ILE 110 8.771 -9.121 1.382 236 HB ILE 110 HB ILE 110 8.986 -7.010 3.536 237 HG12 ILE 110 2HG1 ILE 110 11.361 -6.972 2.440 238 HG13 ILE 110 1HG1 ILE 110 10.629 -7.904 1.146 239 HG21 ILE 110 1HG2 ILE 110 10.353 -9.698 3.398 240 HG22 ILE 110 2HG2 ILE 110 9.596 -8.914 4.786 241 HG23 ILE 110 3HG2 ILE 110 11.140 -8.321 4.172 242 HD11 ILE 110 3HD1 ILE 110 9.631 -5.229 2.146 243 HD12 ILE 110 1HD1 ILE 110 8.943 -6.149 0.810 244 HD13 ILE 110 2HD1 ILE 110 10.561 -5.481 0.673 245 H ASN 111 H ASN 111 6.559 -8.127 3.959 246 HA ASN 111 HA ASN 111 6.776 -10.429 5.547 247 HB2 ASN 111 2HB ASN 111 5.626 -8.480 6.376 248 HB3 ASN 111 1HB ASN 111 4.420 -8.581 5.098 249 HD21 ASN 111 1HD2 ASN 111 5.209 -9.650 8.290 250 HD22 ASN 111 2HD2 ASN 111 3.955 -10.782 8.455 251 H LEU 112 H LEU 112 4.944 -9.779 2.621 252 HA LEU 112 HA LEU 112 3.503 -12.286 2.765 253 HB2 LEU 112 2HB LEU 112 3.572 -9.940 0.941 254 HB3 LEU 112 1HB LEU 112 3.119 -11.467 0.205 255 HG LEU 112 HG LEU 112 1.381 -11.759 1.989 256 HD11 LEU 112 1HD1 LEU 112 0.823 -9.885 3.429 257 HD12 LEU 112 2HD1 LEU 112 2.069 -8.894 2.678 258 HD13 LEU 112 3HD1 LEU 112 2.524 -10.283 3.663 259 HD21 LEU 112 3HD2 LEU 112 0.692 -10.848 -0.140 260 HD22 LEU 112 1HD2 LEU 112 1.287 -9.246 0.298 261 HD23 LEU 112 2HD2 LEU 112 -0.115 -9.922 1.127 262 H GLY 113 H GLY 113 6.626 -11.560 2.081 263 HA2 GLY 113 2HA GLY 113 8.295 -13.013 1.324 264 HA3 GLY 113 1HA GLY 113 7.041 -14.118 0.771 265 H GLU 114 H GLU 114 6.702 -10.832 -0.179 266 HA GLU 114 HA GLU 114 7.715 -11.462 -2.905 267 HB2 GLU 114 2HB GLU 114 5.359 -9.732 -2.083 268 HB3 GLU 114 1HB GLU 114 5.965 -9.904 -3.729 269 HG2 GLU 114 2HG GLU 114 4.987 -12.210 -2.026 270 HG3 GLU 114 1HG GLU 114 4.014 -11.393 -3.247 271 H LYS 115 H LYS 115 9.137 -10.019 -3.776 272 HA LYS 115 HA LYS 115 9.470 -7.377 -2.484 273 HB2 LYS 115 2HB LYS 115 12.002 -7.773 -2.794 274 HB3 LYS 115 1HB LYS 115 11.215 -8.585 -1.439 275 HG2 LYS 115 2HG LYS 115 10.977 -10.633 -2.835 276 HG3 LYS 115 1HG LYS 115 11.835 -9.822 -4.141 277 HD2 LYS 115 2HD LYS 115 13.804 -9.560 -2.703 278 HD3 LYS 115 1HD LYS 115 12.944 -10.340 -1.374 279 HE2 LYS 115 2HE LYS 115 14.375 -11.977 -2.503 280 HE3 LYS 115 1HE LYS 115 12.678 -12.379 -2.773 281 HZ1 LYS 115 3HZ LYS 115 14.272 -12.364 -4.765 282 HZ2 LYS 115 1HZ LYS 115 14.138 -10.676 -4.685 283 HZ3 LYS 115 2HZ LYS 115 12.753 -11.626 -4.941 284 H LEU 116 H LEU 116 9.183 -5.908 -4.044 285 HA LEU 116 HA LEU 116 9.993 -6.568 -6.824 286 HB2 LEU 116 2HB LEU 116 8.182 -4.319 -5.906 287 HB3 LEU 116 1HB LEU 116 8.416 -4.891 -7.546 288 HG LEU 116 HG LEU 116 6.335 -5.832 -6.784 289 HD11 LEU 116 1HD1 LEU 116 8.091 -7.353 -7.950 290 HD12 LEU 116 2HD1 LEU 116 6.727 -8.137 -7.153 291 HD13 LEU 116 3HD1 LEU 116 8.295 -8.089 -6.361 292 HD21 LEU 116 3HD2 LEU 116 7.450 -7.368 -4.498 293 HD22 LEU 116 1HD2 LEU 116 5.921 -6.517 -4.649 294 HD23 LEU 116 2HD2 LEU 116 7.376 -5.632 -4.231 295 H THR 117 H THR 117 11.039 -4.883 -8.079 296 HA THR 117 HA THR 117 13.181 -3.687 -6.646 297 HB THR 117 HB THR 117 13.784 -2.655 -8.774 298 HG1 THR 117 1HG THR 117 11.910 -1.955 -9.601 299 HG21 THR 117 3HG2 THR 117 13.912 -4.668 -10.152 300 HG22 THR 117 1HG2 THR 117 12.621 -5.418 -9.216 301 HG23 THR 117 2HG2 THR 117 14.181 -5.093 -8.462 302 H ASP 118 H ASP 118 13.643 -1.290 -6.634 303 HA ASP 118 HA ASP 118 11.548 0.109 -5.364 304 HB2 ASP 118 2HB ASP 118 14.161 1.030 -6.563 305 HB3 ASP 118 1HB ASP 118 13.056 2.130 -5.739 306 H GLU 119 H GLU 119 12.741 0.188 -8.702 307 HA GLU 119 HA GLU 119 11.212 2.357 -9.611 308 HB2 GLU 119 2HB GLU 119 12.170 -0.098 -11.090 309 HB3 GLU 119 1HB GLU 119 11.463 1.321 -11.863 310 HG2 GLU 119 2HG GLU 119 13.742 1.799 -11.965 311 HG3 GLU 119 1HG GLU 119 13.281 2.667 -10.520 312 H GLU 120 H GLU 120 10.378 -1.061 -9.207 313 HA GLU 120 HA GLU 120 7.848 -0.843 -10.535 314 HB2 GLU 120 2HB GLU 120 8.965 -2.873 -8.589 315 HB3 GLU 120 1HB GLU 120 7.390 -3.033 -9.367 316 HG2 GLU 120 2HG GLU 120 9.987 -2.676 -10.881 317 HG3 GLU 120 1HG GLU 120 9.252 -4.247 -10.560 318 H VAL 121 H VAL 121 8.848 -0.877 -7.111 319 HA VAL 121 HA VAL 121 6.241 -0.534 -6.057 320 HB VAL 121 HB VAL 121 8.919 0.263 -4.880 321 HG11 VAL 121 1HG1 VAL 121 7.619 0.044 -2.713 322 HG12 VAL 121 2HG1 VAL 121 6.148 0.010 -3.683 323 HG13 VAL 121 3HG1 VAL 121 7.182 1.438 -3.698 324 HG21 VAL 121 3HG2 VAL 121 7.204 -2.223 -4.582 325 HG22 VAL 121 1HG2 VAL 121 8.656 -1.884 -3.640 326 HG23 VAL 121 2HG2 VAL 121 8.773 -2.129 -5.383 327 H GLU 122 H GLU 122 8.816 1.835 -6.795 328 HA GLU 122 HA GLU 122 7.390 4.120 -5.991 329 HB2 GLU 122 2HB GLU 122 9.566 3.753 -8.059 330 HB3 GLU 122 1HB GLU 122 8.935 5.321 -7.578 331 HG2 GLU 122 2HG GLU 122 9.605 4.951 -5.273 332 HG3 GLU 122 1HG GLU 122 10.112 3.307 -5.651 333 H GLN 123 H GLN 123 7.512 2.406 -9.090 334 HA GLN 123 HA GLN 123 5.921 4.282 -10.515 335 HB2 GLN 123 2HB GLN 123 7.344 2.581 -11.629 336 HB3 GLN 123 1HB GLN 123 6.265 1.317 -11.043 337 HG2 GLN 123 2HG GLN 123 5.654 1.882 -13.332 338 HG3 GLN 123 1HG GLN 123 4.375 2.431 -12.258 339 HE21 GLN 123 1HE2 GLN 123 3.797 4.049 -13.962 340 HE22 GLN 123 2HE2 GLN 123 4.718 5.466 -14.111 341 H MET 124 H MET 124 5.113 1.298 -8.732 342 HA MET 124 HA MET 124 2.391 1.239 -9.384 343 HB2 MET 124 2HB MET 124 3.608 -0.643 -8.347 344 HB3 MET 124 1HB MET 124 3.762 0.291 -6.859 345 HG2 MET 124 2HG MET 124 1.394 0.315 -6.529 346 HG3 MET 124 1HG MET 124 1.105 -0.333 -8.141 347 HE1 MET 124 3HE MET 124 4.091 -1.756 -5.778 348 HE2 MET 124 1HE MET 124 3.008 -2.457 -4.567 349 HE3 MET 124 2HE MET 124 2.933 -0.734 -4.924 350 H ILE 125 H ILE 125 4.134 2.854 -6.744 351 HA ILE 125 HA ILE 125 1.842 3.799 -5.372 352 HB ILE 125 HB ILE 125 4.655 4.930 -5.560 353 HG12 ILE 125 2HG1 ILE 125 4.162 2.541 -4.593 354 HG13 ILE 125 1HG1 ILE 125 5.182 3.635 -3.667 355 HG21 ILE 125 1HG2 ILE 125 2.285 5.651 -3.829 356 HG22 ILE 125 2HG2 ILE 125 3.321 6.725 -4.765 357 HG23 ILE 125 3HG2 ILE 125 3.936 5.965 -3.298 358 HD11 ILE 125 3HD1 ILE 125 3.375 2.420 -2.349 359 HD12 ILE 125 1HD1 ILE 125 2.211 3.397 -3.214 360 HD13 ILE 125 2HD1 ILE 125 3.386 4.173 -2.172 361 H LYS 126 H LYS 126 3.861 5.199 -7.887 362 HA LYS 126 HA LYS 126 2.518 7.687 -8.078 363 HB2 LYS 126 2HB LYS 126 4.184 6.162 -10.042 364 HB3 LYS 126 1HB LYS 126 3.548 7.765 -10.383 365 HG2 LYS 126 2HG LYS 126 4.687 8.640 -8.384 366 HG3 LYS 126 1HG LYS 126 5.312 7.032 -8.030 367 HD2 LYS 126 2HD LYS 126 6.527 7.024 -10.177 368 HD3 LYS 126 1HD LYS 126 5.891 8.627 -10.548 369 HE2 LYS 126 2HE LYS 126 7.009 9.533 -8.540 370 HE3 LYS 126 1HE LYS 126 7.655 7.932 -8.181 371 HZ1 LYS 126 3HZ LYS 126 9.315 8.308 -9.573 372 HZ2 LYS 126 1HZ LYS 126 8.723 9.869 -9.873 373 HZ3 LYS 126 2HZ LYS 126 8.229 8.574 -10.854 374 H GLU 127 H GLU 127 2.078 4.639 -9.817 375 HA GLU 127 HA GLU 127 0.034 5.595 -11.546 376 HB2 GLU 127 2HB GLU 127 0.812 2.816 -10.639 377 HB3 GLU 127 1HB GLU 127 -0.440 3.137 -11.840 378 HG2 GLU 127 2HG GLU 127 1.168 4.289 -13.259 379 HG3 GLU 127 1HG GLU 127 2.417 4.089 -12.043 380 H ALA 128 H ALA 128 0.043 4.064 -8.374 381 HA ALA 128 HA ALA 128 -2.823 3.735 -8.297 382 HB1 ALA 128 1HB ALA 128 -0.661 3.506 -6.215 383 HB2 ALA 128 2HB ALA 128 -1.589 2.217 -6.976 384 HB3 ALA 128 3HB ALA 128 -2.375 3.308 -5.824 385 H ASP 129 H ASP 129 -0.570 6.226 -7.330 386 HA ASP 129 HA ASP 129 -2.396 7.614 -5.645 387 HB2 ASP 129 2HB ASP 129 0.193 8.361 -6.958 388 HB3 ASP 129 1HB ASP 129 -0.706 9.506 -5.994 389 H LEU 130 H LEU 130 -4.167 8.550 -6.362 390 HA LEU 130 HA LEU 130 -4.429 9.421 -9.099 391 HB2 LEU 130 2HB LEU 130 -6.284 8.392 -7.657 392 HB3 LEU 130 1HB LEU 130 -6.394 9.967 -6.882 393 HG LEU 130 HG LEU 130 -6.568 10.898 -9.329 394 HD11 LEU 130 1HD1 LEU 130 -7.246 7.963 -9.702 395 HD12 LEU 130 2HD1 LEU 130 -6.047 8.905 -10.584 396 HD13 LEU 130 3HD1 LEU 130 -7.759 9.223 -10.820 397 HD21 LEU 130 3HD2 LEU 130 -8.847 9.272 -8.149 398 HD22 LEU 130 1HD2 LEU 130 -9.009 10.623 -9.271 399 HD23 LEU 130 2HD2 LEU 130 -8.402 10.900 -7.641 400 H ASP 131 H ASP 131 -3.745 10.913 -6.015 401 HA ASP 131 HA ASP 131 -3.885 13.592 -7.298 402 HB2 ASP 131 2HB ASP 131 -4.052 14.466 -4.992 403 HB3 ASP 131 1HB ASP 131 -5.396 13.407 -5.417 404 H GLY 132 H GLY 132 -1.628 11.376 -6.927 405 HA2 GLY 132 2HA GLY 132 0.634 11.373 -6.381 406 HA3 GLY 132 1HA GLY 132 0.577 12.927 -7.205 407 H ASP 133 H ASP 133 -0.946 12.091 -4.084 408 HA ASP 133 HA ASP 133 0.090 14.455 -2.853 409 HB2 ASP 133 2HB ASP 133 -0.935 13.571 -0.804 410 HB3 ASP 133 1HB ASP 133 -2.052 13.465 -2.164 411 H GLY 134 H GLY 134 1.341 11.327 -3.377 412 HA2 GLY 134 2HA GLY 134 3.683 10.905 -3.029 413 HA3 GLY 134 1HA GLY 134 3.605 11.891 -1.571 414 H GLN 135 H GLN 135 0.853 10.445 -1.215 415 HA GLN 135 HA GLN 135 1.918 7.921 -0.092 416 HB2 GLN 135 2HB GLN 135 0.158 10.029 1.183 417 HB3 GLN 135 1HB GLN 135 0.332 8.401 1.804 418 HG2 GLN 135 2HG GLN 135 1.904 9.726 3.007 419 HG3 GLN 135 1HG GLN 135 2.844 8.806 1.839 420 HE21 GLN 135 1HE2 GLN 135 4.551 10.371 1.574 421 HE22 GLN 135 2HE2 GLN 135 4.281 11.895 0.877 422 H VAL 136 H VAL 136 0.465 6.190 -0.067 423 HA VAL 136 HA VAL 136 -1.714 6.388 -1.982 424 HB VAL 136 HB VAL 136 -0.586 4.113 -0.325 425 HG11 VAL 136 1HG1 VAL 136 -2.986 4.173 -2.162 426 HG12 VAL 136 2HG1 VAL 136 -2.936 3.634 -0.488 427 HG13 VAL 136 3HG1 VAL 136 -2.145 2.688 -1.745 428 HG21 VAL 136 3HG2 VAL 136 -0.698 4.662 -3.303 429 HG22 VAL 136 1HG2 VAL 136 0.034 3.250 -2.539 430 HG23 VAL 136 2HG2 VAL 136 0.718 4.857 -2.271 431 H ASN 137 H ASN 137 -3.735 7.037 -1.371 432 HA ASN 137 HA ASN 137 -4.430 6.968 1.494 433 HB2 ASN 137 2HB ASN 137 -6.259 8.470 0.882 434 HB3 ASN 137 1HB ASN 137 -4.729 9.097 0.274 435 HD21 ASN 137 1HD2 ASN 137 -5.754 10.273 -1.486 436 HD22 ASN 137 2HD2 ASN 137 -6.442 9.464 -2.811 437 H TYR 138 H TYR 138 -6.889 6.510 1.857 438 HA TYR 138 HA TYR 138 -7.371 3.819 1.382 439 HB2 TYR 138 2HB TYR 138 -8.555 5.178 3.081 440 HB3 TYR 138 1HB TYR 138 -9.454 5.978 1.789 441 HD1 TYR 138 1HD TYR 138 -8.713 2.616 3.249 442 HD2 TYR 138 2HD TYR 138 -11.401 4.993 0.890 443 HE1 TYR 138 1HE TYR 138 -10.346 0.754 3.231 444 HE2 TYR 138 2HE TYR 138 -13.036 3.130 0.873 445 HH TYR 138 HH TYR 138 -13.204 0.817 2.865 446 H GLU 139 H GLU 139 -8.712 6.609 -0.444 447 HA GLU 139 HA GLU 139 -10.285 5.130 -2.223 448 HB2 GLU 139 2HB GLU 139 -10.347 7.607 -1.978 449 HB3 GLU 139 1HB GLU 139 -8.795 7.706 -2.810 450 HG2 GLU 139 2HG GLU 139 -9.770 6.668 -4.801 451 HG3 GLU 139 1HG GLU 139 -11.316 6.489 -3.972 452 H GLU 140 H GLU 140 -6.868 6.121 -2.539 453 HA GLU 140 HA GLU 140 -6.558 4.870 -5.075 454 HB2 GLU 140 2HB GLU 140 -4.494 5.657 -3.045 455 HB3 GLU 140 1HB GLU 140 -4.152 5.183 -4.678 456 HG2 GLU 140 2HG GLU 140 -5.076 7.110 -5.598 457 HG3 GLU 140 1HG GLU 140 -6.131 7.388 -4.227 458 H PHE 141 H PHE 141 -6.054 3.846 -1.718 459 HA PHE 141 HA PHE 141 -4.728 1.431 -2.297 460 HB2 PHE 141 2HB PHE 141 -4.879 2.433 -0.023 461 HB3 PHE 141 1HB PHE 141 -6.596 2.038 0.018 462 HD1 PHE 141 2HD PHE 141 -3.233 0.462 -0.500 463 HD2 PHE 141 1HD PHE 141 -7.287 -0.062 0.820 464 HE1 PHE 141 2HE PHE 141 -2.683 -1.826 0.289 465 HE2 PHE 141 1HE PHE 141 -6.738 -2.346 1.608 466 HZ PHE 141 HZ PHE 141 -4.435 -3.228 1.341 467 H VAL 142 H VAL 142 -8.171 1.994 -1.519 468 HA VAL 142 HA VAL 142 -9.050 -0.605 -2.062 469 HB VAL 142 HB VAL 142 -10.390 1.180 -0.936 470 HG11 VAL 142 1HG1 VAL 142 -10.977 2.163 -3.731 471 HG12 VAL 142 2HG1 VAL 142 -9.784 2.890 -2.671 472 HG13 VAL 142 3HG1 VAL 142 -11.465 2.886 -2.200 473 HG21 VAL 142 3HG2 VAL 142 -12.508 0.412 -1.780 474 HG22 VAL 142 1HG2 VAL 142 -11.381 -0.935 -1.947 475 HG23 VAL 142 2HG2 VAL 142 -11.811 0.035 -3.358 476 H LYS 143 H LYS 143 -8.790 2.209 -4.171 477 HA LYS 143 HA LYS 143 -9.837 1.019 -6.514 478 HB2 LYS 143 2HB LYS 143 -9.457 3.457 -6.141 479 HB3 LYS 143 1HB LYS 143 -7.724 3.178 -6.285 480 HG2 LYS 143 2HG LYS 143 -7.998 2.364 -8.559 481 HG3 LYS 143 1HG LYS 143 -9.752 2.478 -8.427 482 HD2 LYS 143 2HD LYS 143 -9.558 4.924 -8.088 483 HD3 LYS 143 1HD LYS 143 -7.808 4.799 -8.263 484 HE2 LYS 143 2HE LYS 143 -9.797 3.933 -10.381 485 HE3 LYS 143 1HE LYS 143 -8.966 5.488 -10.377 486 HZ1 LYS 143 3HZ LYS 143 -6.855 4.331 -10.444 487 HZ2 LYS 143 1HZ LYS 143 -7.822 3.864 -11.757 488 HZ3 LYS 143 2HZ LYS 143 -7.647 2.827 -10.423 489 H MET 144 H MET 144 -6.493 1.412 -5.359 490 HA MET 144 HA MET 144 -5.224 0.008 -7.472 491 HB2 MET 144 2HB MET 144 -4.067 1.436 -5.761 492 HB3 MET 144 1HB MET 144 -4.321 0.149 -4.602 493 HG2 MET 144 2HG MET 144 -3.024 -1.407 -6.028 494 HG3 MET 144 1HG MET 144 -2.752 -0.107 -7.187 495 HE1 MET 144 3HE MET 144 -2.621 -1.303 -3.728 496 HE2 MET 144 1HE MET 144 -2.515 0.313 -3.021 497 HE3 MET 144 2HE MET 144 -1.108 -0.746 -3.021 498 H MET 145 H MET 145 -6.570 -0.960 -4.392 499 HA MET 145 HA MET 145 -5.686 -3.652 -4.444 500 HB2 MET 145 2HB MET 145 -6.561 -2.596 -2.395 501 HB3 MET 145 1HB MET 145 -8.167 -2.520 -3.120 502 HG2 MET 145 2HG MET 145 -8.252 -4.960 -3.280 503 HG3 MET 145 1HG MET 145 -6.603 -5.084 -2.671 504 HE1 MET 145 3HE MET 145 -6.704 -4.632 0.978 505 HE2 MET 145 1HE MET 145 -5.839 -4.063 -0.455 506 HE3 MET 145 2HE MET 145 -6.227 -5.771 -0.277 507 H MET 146 H MET 146 -8.585 -2.063 -5.712 508 HA MET 146 HA MET 146 -9.895 -4.440 -6.547 509 HB2 MET 146 2HB MET 146 -10.133 -1.541 -7.355 510 HB3 MET 146 1HB MET 146 -11.094 -2.802 -8.127 511 HG2 MET 146 2HG MET 146 -12.082 -3.436 -6.010 512 HG3 MET 146 1HG MET 146 -11.000 -2.360 -5.128 513 HE1 MET 146 3HE MET 146 -14.657 -2.506 -6.655 514 HE2 MET 146 1HE MET 146 -13.403 -2.796 -7.865 515 HE3 MET 146 2HE MET 146 -14.403 -1.353 -7.964 516 H THR 147 H THR 147 -7.657 -2.195 -8.150 517 HA THR 147 HA THR 147 -7.765 -3.198 -10.733 518 HB THR 147 HB THR 147 -5.261 -2.237 -9.331 519 HG1 THR 147 1HG THR 147 -7.598 -0.993 -9.888 520 HG21 THR 147 3HG2 THR 147 -6.173 -2.328 -12.216 521 HG22 THR 147 1HG2 THR 147 -4.748 -3.093 -11.510 522 HG23 THR 147 2HG2 THR 147 -4.818 -1.338 -11.671 523 H VAL 148 H VAL 148 -6.600 -4.701 -7.887 524 HA VAL 148 HA VAL 148 -4.585 -6.366 -8.837 525 HB VAL 148 HB VAL 148 -6.695 -6.921 -6.744 526 HG11 VAL 148 1HG1 VAL 148 -4.879 -8.498 -5.874 527 HG12 VAL 148 2HG1 VAL 148 -4.140 -8.353 -7.469 528 HG13 VAL 148 3HG1 VAL 148 -5.758 -9.033 -7.307 529 HG21 VAL 148 3HG2 VAL 148 -3.814 -6.088 -6.344 530 HG22 VAL 148 1HG2 VAL 148 -5.130 -6.047 -5.170 531 HG23 VAL 148 2HG2 VAL 148 -5.105 -4.900 -6.511 532 H ARG 149 H ARG 149 -8.107 -6.939 -8.800 533 HA ARG 149 HA ARG 149 -8.002 -8.404 -11.241 534 HB2 ARG 149 2HB ARG 149 -7.038 -10.114 -9.721 535 HB3 ARG 149 1HB ARG 149 -8.501 -10.034 -8.738 536 HG2 ARG 149 2HG ARG 149 -9.856 -10.738 -10.670 537 HG3 ARG 149 1HG ARG 149 -8.409 -10.788 -11.676 538 HD2 ARG 149 2HD ARG 149 -8.931 -13.040 -10.913 539 HD3 ARG 149 1HD ARG 149 -7.443 -12.497 -10.141 540 HE ARG 149 HE ARG 149 -9.662 -11.867 -8.487 541 HH11 ARG 149 1HH2 ARG 149 -7.785 -14.501 -9.693 542 HH12 ARG 149 2HH2 ARG 149 -8.053 -15.513 -8.311 543 HH21 ARG 149 1HH1 ARG 149 -10.023 -13.182 -6.661 544 HH22 ARG 149 2HH1 ARG 149 -9.321 -14.764 -6.593 Start of MODEL 14 1 H1 ASP 80 1HT ASP 80 -18.124 -9.070 6.932 2 H2 ASP 80 2HT ASP 80 -17.495 -7.615 7.542 3 H3 ASP 80 3HT ASP 80 -16.527 -8.624 6.579 4 HA ASP 80 HA ASP 80 -18.569 -8.222 4.922 5 HB2 ASP 80 2HB ASP 80 -18.232 -5.731 6.605 6 HB3 ASP 80 1HB ASP 80 -19.055 -5.777 5.048 7 H ALA 81 H ALA 81 -17.892 -6.966 3.028 8 HA ALA 81 HA ALA 81 -15.162 -7.195 2.471 9 HB1 ALA 81 1HB ALA 81 -15.608 -6.137 0.422 10 HB2 ALA 81 2HB ALA 81 -16.891 -5.143 1.113 11 HB3 ALA 81 3HB ALA 81 -17.156 -6.867 0.853 12 H GLU 82 H GLU 82 -17.025 -4.269 3.324 13 HA GLU 82 HA GLU 82 -14.781 -2.545 3.348 14 HB2 GLU 82 2HB GLU 82 -17.196 -1.842 3.205 15 HB3 GLU 82 1HB GLU 82 -17.315 -2.174 4.935 16 HG2 GLU 82 2HG GLU 82 -16.806 0.141 4.737 17 HG3 GLU 82 1HG GLU 82 -15.319 -0.647 5.244 18 H GLU 83 H GLU 83 -16.371 -4.434 5.873 19 HA GLU 83 HA GLU 83 -14.893 -3.412 8.061 20 HB2 GLU 83 2HB GLU 83 -16.908 -4.848 8.315 21 HB3 GLU 83 1HB GLU 83 -15.976 -6.219 7.723 22 HG2 GLU 83 2HG GLU 83 -14.397 -5.972 9.593 23 HG3 GLU 83 1HG GLU 83 -15.300 -4.576 10.179 24 H GLU 84 H GLU 84 -14.425 -6.650 6.625 25 HA GLU 84 HA GLU 84 -11.908 -7.136 7.613 26 HB2 GLU 84 2HB GLU 84 -13.022 -7.931 4.913 27 HB3 GLU 84 1HB GLU 84 -11.573 -8.625 5.640 28 HG2 GLU 84 2HG GLU 84 -14.307 -8.639 6.946 29 HG3 GLU 84 1HG GLU 84 -13.633 -9.995 6.044 30 H LEU 85 H LEU 85 -12.709 -5.362 4.605 31 HA LEU 85 HA LEU 85 -10.032 -4.947 3.814 32 HB2 LEU 85 2HB LEU 85 -11.888 -4.593 2.271 33 HB3 LEU 85 1HB LEU 85 -12.501 -3.279 3.273 34 HG LEU 85 HG LEU 85 -10.435 -1.994 2.883 35 HD11 LEU 85 1HD1 LEU 85 -8.975 -3.034 0.938 36 HD12 LEU 85 2HD1 LEU 85 -9.635 -4.554 1.537 37 HD13 LEU 85 3HD1 LEU 85 -8.696 -3.514 2.610 38 HD21 LEU 85 3HD2 LEU 85 -12.418 -1.984 1.210 39 HD22 LEU 85 1HD2 LEU 85 -11.390 -2.975 0.181 40 HD23 LEU 85 2HD2 LEU 85 -10.883 -1.346 0.624 41 H LYS 86 H LYS 86 -12.235 -2.951 5.786 42 HA LYS 86 HA LYS 86 -10.478 -0.787 6.155 43 HB2 LYS 86 2HB LYS 86 -12.895 -0.786 6.766 44 HB3 LYS 86 1HB LYS 86 -12.511 -1.822 8.141 45 HG2 LYS 86 2HG LYS 86 -10.976 -0.099 9.014 46 HG3 LYS 86 1HG LYS 86 -11.363 0.940 7.644 47 HD2 LYS 86 2HD LYS 86 -13.733 0.971 8.331 48 HD3 LYS 86 1HD LYS 86 -13.346 -0.067 9.704 49 HE2 LYS 86 2HE LYS 86 -13.440 2.279 10.421 50 HE3 LYS 86 1HE LYS 86 -11.790 1.668 10.555 51 HZ1 LYS 86 3HZ LYS 86 -11.937 3.876 9.502 52 HZ2 LYS 86 1HZ LYS 86 -12.832 3.195 8.232 53 HZ3 LYS 86 2HZ LYS 86 -11.225 2.709 8.492 54 H GLU 87 H GLU 87 -10.686 -3.922 7.775 55 HA GLU 87 HA GLU 87 -8.932 -3.265 9.919 56 HB2 GLU 87 2HB GLU 87 -10.501 -5.214 9.908 57 HB3 GLU 87 1HB GLU 87 -9.466 -5.974 8.705 58 HG2 GLU 87 2HG GLU 87 -7.569 -5.896 10.242 59 HG3 GLU 87 1HG GLU 87 -8.567 -5.091 11.450 60 H ALA 88 H ALA 88 -8.427 -5.003 6.832 61 HA ALA 88 HA ALA 88 -5.714 -5.483 7.080 62 HB1 ALA 88 1HB ALA 88 -7.446 -4.918 4.684 63 HB2 ALA 88 2HB ALA 88 -6.761 -6.456 5.210 64 HB3 ALA 88 3HB ALA 88 -5.718 -5.220 4.509 65 H PHE 89 H PHE 89 -7.330 -2.584 5.777 66 HA PHE 89 HA PHE 89 -5.037 -1.124 5.110 67 HB2 PHE 89 2HB PHE 89 -7.306 -0.439 4.459 68 HB3 PHE 89 1HB PHE 89 -7.679 -0.086 6.147 69 HD1 PHE 89 2HD PHE 89 -6.336 1.698 7.358 70 HD2 PHE 89 1HD PHE 89 -6.107 1.126 3.114 71 HE1 PHE 89 2HE PHE 89 -5.377 3.964 7.106 72 HE2 PHE 89 1HE PHE 89 -5.156 3.393 2.855 73 HZ PHE 89 HZ PHE 89 -4.782 4.814 4.852 74 H LYS 90 H LYS 90 -6.791 -1.393 8.199 75 HA LYS 90 HA LYS 90 -5.302 0.529 9.614 76 HB2 LYS 90 2HB LYS 90 -7.445 -0.500 10.383 77 HB3 LYS 90 1HB LYS 90 -6.561 -1.986 10.727 78 HG2 LYS 90 2HG LYS 90 -5.124 -0.795 12.316 79 HG3 LYS 90 1HG LYS 90 -5.940 0.724 11.943 80 HD2 LYS 90 2HD LYS 90 -8.074 -0.232 12.752 81 HD3 LYS 90 1HD LYS 90 -7.245 -1.739 13.143 82 HE2 LYS 90 2HE LYS 90 -7.459 -0.358 15.158 83 HE3 LYS 90 1HE LYS 90 -5.761 -0.497 14.700 84 HZ1 LYS 90 3HZ LYS 90 -6.194 1.771 15.181 85 HZ2 LYS 90 1HZ LYS 90 -7.580 1.794 14.203 86 HZ3 LYS 90 2HZ LYS 90 -6.043 1.647 13.493 87 H VAL 91 H VAL 91 -4.641 -2.854 8.851 88 HA VAL 91 HA VAL 91 -2.467 -3.135 10.688 89 HB VAL 91 HB VAL 91 -3.125 -4.677 8.173 90 HG11 VAL 91 1HG1 VAL 91 -1.657 -6.420 9.287 91 HG12 VAL 91 2HG1 VAL 91 -1.129 -5.159 10.399 92 HG13 VAL 91 3HG1 VAL 91 -0.793 -5.011 8.674 93 HG21 VAL 91 3HG2 VAL 91 -4.839 -4.743 9.983 94 HG22 VAL 91 1HG2 VAL 91 -3.598 -5.300 11.106 95 HG23 VAL 91 2HG2 VAL 91 -4.066 -6.309 9.737 96 H PHE 92 H PHE 92 -2.642 -2.388 7.208 97 HA PHE 92 HA PHE 92 0.179 -2.152 6.853 98 HB2 PHE 92 2HB PHE 92 -1.826 -0.591 5.234 99 HB3 PHE 92 1HB PHE 92 -0.280 -1.261 4.721 100 HD1 PHE 92 2HD PHE 92 -0.516 -3.997 5.959 101 HD2 PHE 92 1HD PHE 92 -3.326 -1.661 3.712 102 HE1 PHE 92 2HE PHE 92 -1.648 -6.063 5.244 103 HE2 PHE 92 1HE PHE 92 -4.468 -3.729 2.999 104 HZ PHE 92 HZ PHE 92 -3.628 -5.938 3.758 105 H ASP 93 H ASP 93 -2.324 0.101 7.878 106 HA ASP 93 HA ASP 93 -0.683 2.425 7.673 107 HB2 ASP 93 2HB ASP 93 -3.237 2.334 7.788 108 HB3 ASP 93 1HB ASP 93 -3.051 2.088 9.523 109 H LYS 94 H LYS 94 1.123 0.941 8.795 110 HA LYS 94 HA LYS 94 1.129 0.471 11.534 111 HB2 LYS 94 2HB LYS 94 3.394 1.280 9.701 112 HB3 LYS 94 1HB LYS 94 3.632 0.774 11.372 113 HG2 LYS 94 2HG LYS 94 2.623 -1.396 10.910 114 HG3 LYS 94 1HG LYS 94 2.232 -0.897 9.265 115 HD2 LYS 94 2HD LYS 94 4.237 -2.160 9.056 116 HD3 LYS 94 1HD LYS 94 4.749 -0.474 8.964 117 HE2 LYS 94 2HE LYS 94 5.528 -0.480 11.215 118 HE3 LYS 94 1HE LYS 94 4.704 -1.996 11.576 119 HZ1 LYS 94 3HZ LYS 94 6.494 -3.091 10.934 120 HZ2 LYS 94 1HZ LYS 94 7.296 -1.633 10.607 121 HZ3 LYS 94 2HZ LYS 94 6.399 -2.401 9.385 122 H ASP 95 H ASP 95 2.150 3.446 9.831 123 HA ASP 95 HA ASP 95 2.761 4.893 12.190 124 HB2 ASP 95 2HB ASP 95 1.829 6.206 9.646 125 HB3 ASP 95 1HB ASP 95 3.045 6.753 10.795 126 H GLN 96 H GLN 96 -0.164 3.796 10.991 127 HA GLN 96 HA GLN 96 -2.363 4.339 11.403 128 HB2 GLN 96 2HB GLN 96 -1.033 5.413 13.902 129 HB3 GLN 96 1HB GLN 96 -2.780 5.288 13.704 130 HG2 GLN 96 2HG GLN 96 -0.886 2.934 13.414 131 HG3 GLN 96 1HG GLN 96 -1.743 3.326 14.900 132 HE21 GLN 96 1HE2 GLN 96 -4.068 2.985 14.950 133 HE22 GLN 96 2HE2 GLN 96 -4.859 2.109 13.731 134 H ASN 97 H ASN 97 -0.682 6.324 9.929 135 HA ASN 97 HA ASN 97 -1.684 8.918 10.807 136 HB2 ASN 97 2HB ASN 97 -0.421 9.795 8.890 137 HB3 ASN 97 1HB ASN 97 0.582 8.749 9.896 138 HD21 ASN 97 1HD2 ASN 97 1.651 8.869 7.474 139 HD22 ASN 97 2HD2 ASN 97 1.234 7.546 6.495 140 H GLY 98 H GLY 98 -3.174 6.450 9.299 141 HA2 GLY 98 2HA GLY 98 -5.240 6.449 8.228 142 HA3 GLY 98 1HA GLY 98 -5.141 8.200 8.087 143 H TYR 99 H TYR 99 -2.247 7.313 6.964 144 HA TYR 99 HA TYR 99 -3.181 6.791 4.189 145 HB2 TYR 99 2HB TYR 99 -1.179 8.818 5.188 146 HB3 TYR 99 1HB TYR 99 -1.201 8.263 3.514 147 HD1 TYR 99 1HD TYR 99 -3.410 9.702 6.170 148 HD2 TYR 99 2HD TYR 99 -2.682 9.226 1.967 149 HE1 TYR 99 1HE TYR 99 -5.273 11.255 5.672 150 HE2 TYR 99 2HE TYR 99 -4.544 10.779 1.469 151 HH TYR 99 HH TYR 99 -6.019 12.220 2.329 152 H ILE 100 H ILE 100 -2.059 5.184 3.119 153 HA ILE 100 HA ILE 100 -0.012 3.770 4.647 154 HB ILE 100 HB ILE 100 -0.946 3.174 1.839 155 HG12 ILE 100 2HG1 ILE 100 -2.064 2.152 4.483 156 HG13 ILE 100 1HG1 ILE 100 -2.889 3.221 3.353 157 HG21 ILE 100 1HG2 ILE 100 1.174 2.126 2.663 158 HG22 ILE 100 2HG2 ILE 100 -0.091 0.949 2.320 159 HG23 ILE 100 3HG2 ILE 100 0.256 1.410 3.987 160 HD11 ILE 100 3HD1 ILE 100 -2.523 1.390 1.592 161 HD12 ILE 100 1HD1 ILE 100 -3.712 1.053 2.848 162 HD13 ILE 100 2HD1 ILE 100 -2.106 0.330 2.940 163 H SER 101 H SER 101 2.117 4.035 4.406 164 HA SER 101 HA SER 101 3.079 5.922 2.333 165 HB2 SER 101 2HB SER 101 4.287 4.837 4.875 166 HB3 SER 101 1HB SER 101 5.242 5.723 3.690 167 HG SER 101 HG SER 101 3.218 7.218 3.943 168 H ALA 102 H ALA 102 4.952 5.413 1.028 169 HA ALA 102 HA ALA 102 4.876 2.953 -0.262 170 HB1 ALA 102 1HB ALA 102 6.084 5.078 -0.998 171 HB2 ALA 102 2HB ALA 102 6.915 3.555 -1.322 172 HB3 ALA 102 3HB ALA 102 7.412 4.559 0.040 173 H SER 103 H SER 103 6.900 3.945 2.500 174 HA SER 103 HA SER 103 8.458 1.609 2.662 175 HB2 SER 103 2HB SER 103 8.852 2.264 5.007 176 HB3 SER 103 1HB SER 103 9.013 3.632 3.909 177 HG SER 103 HG SER 103 6.653 2.959 5.342 178 H GLU 104 H GLU 104 5.223 2.348 3.981 179 HA GLU 104 HA GLU 104 5.030 -0.012 5.522 180 HB2 GLU 104 2HB GLU 104 2.969 1.890 4.403 181 HB3 GLU 104 1HB GLU 104 2.564 0.526 5.409 182 HG2 GLU 104 2HG GLU 104 4.171 1.419 7.137 183 HG3 GLU 104 1HG GLU 104 4.285 2.875 6.155 184 H LEU 105 H LEU 105 4.132 0.812 2.178 185 HA LEU 105 HA LEU 105 2.748 -1.584 1.600 186 HB2 LEU 105 2HB LEU 105 2.554 0.325 0.113 187 HB3 LEU 105 1HB LEU 105 4.286 0.324 -0.191 188 HG LEU 105 HG LEU 105 4.141 -1.818 -1.339 189 HD11 LEU 105 1HD1 LEU 105 1.732 -2.705 -1.773 190 HD12 LEU 105 2HD1 LEU 105 1.300 -1.757 -0.353 191 HD13 LEU 105 3HD1 LEU 105 2.487 -3.049 -0.217 192 HD21 LEU 105 3HD2 LEU 105 1.867 -0.093 -2.359 193 HD22 LEU 105 1HD2 LEU 105 2.915 -1.138 -3.315 194 HD23 LEU 105 2HD2 LEU 105 3.559 0.332 -2.589 195 H ARG 106 H ARG 106 6.165 -0.688 1.308 196 HA ARG 106 HA ARG 106 7.057 -3.055 0.059 197 HB2 ARG 106 2HB ARG 106 8.507 -1.175 1.930 198 HB3 ARG 106 1HB ARG 106 9.287 -2.464 1.013 199 HG2 ARG 106 2HG ARG 106 8.566 -1.483 -1.070 200 HG3 ARG 106 1HG ARG 106 7.648 -0.242 -0.231 201 HD2 ARG 106 2HD ARG 106 9.764 0.681 -0.976 202 HD3 ARG 106 1HD ARG 106 9.752 0.582 0.782 203 HE ARG 106 HE ARG 106 10.881 -1.787 -0.312 204 HH11 ARG 106 1HH2 ARG 106 11.448 1.571 0.200 205 HH12 ARG 106 2HH2 ARG 106 13.171 1.423 0.263 206 HH21 ARG 106 1HH1 ARG 106 13.149 -2.010 -0.239 207 HH22 ARG 106 2HH1 ARG 106 14.140 -0.612 0.012 208 H HIS 107 H HIS 107 6.779 -2.215 3.514 209 HA HIS 107 HA HIS 107 7.809 -4.607 4.557 210 HB2 HIS 107 2HB HIS 107 7.337 -2.630 5.949 211 HB3 HIS 107 1HB HIS 107 5.607 -2.868 5.691 212 HD1 HIS 107 1HD HIS 107 4.819 -3.645 7.953 213 HD2 HIS 107 2HD HIS 107 8.197 -5.724 6.672 214 HE1 HIS 107 1HE HIS 107 5.196 -5.503 9.632 215 HE2 HIS 107 2HE HIS 107 7.252 -6.782 8.864 216 H VAL 108 H VAL 108 4.514 -3.764 3.542 217 HA VAL 108 HA VAL 108 3.311 -6.204 4.317 218 HB VAL 108 HB VAL 108 2.573 -4.194 2.186 219 HG11 VAL 108 1HG1 VAL 108 0.296 -5.366 2.394 220 HG12 VAL 108 2HG1 VAL 108 1.174 -6.701 3.136 221 HG13 VAL 108 3HG1 VAL 108 1.537 -6.219 1.479 222 HG21 VAL 108 3HG2 VAL 108 1.509 -4.785 4.968 223 HG22 VAL 108 1HG2 VAL 108 0.825 -3.600 3.856 224 HG23 VAL 108 2HG2 VAL 108 2.451 -3.373 4.498 225 H MET 109 H MET 109 4.756 -5.147 1.228 226 HA MET 109 HA MET 109 4.196 -7.496 -0.219 227 HB2 MET 109 2HB MET 109 6.330 -5.379 -0.455 228 HB3 MET 109 1HB MET 109 6.289 -6.760 -1.552 229 HG2 MET 109 2HG MET 109 3.929 -4.920 -1.081 230 HG3 MET 109 1HG MET 109 5.065 -4.735 -2.416 231 HE1 MET 109 3HE MET 109 1.794 -6.105 -4.033 232 HE2 MET 109 1HE MET 109 3.072 -4.888 -4.153 233 HE3 MET 109 2HE MET 109 2.037 -4.946 -2.728 234 H ILE 110 H ILE 110 6.991 -6.620 1.818 235 HA ILE 110 HA ILE 110 8.479 -8.983 1.322 236 HB ILE 110 HB ILE 110 8.439 -7.122 3.706 237 HG12 ILE 110 2HG1 ILE 110 10.500 -7.422 1.506 238 HG13 ILE 110 1HG1 ILE 110 9.159 -6.280 1.400 239 HG21 ILE 110 1HG2 ILE 110 10.726 -8.182 4.122 240 HG22 ILE 110 2HG2 ILE 110 10.241 -9.451 2.998 241 HG23 ILE 110 3HG2 ILE 110 9.337 -9.203 4.490 242 HD11 ILE 110 3HD1 ILE 110 11.104 -5.125 2.297 243 HD12 ILE 110 1HD1 ILE 110 11.296 -6.354 3.549 244 HD13 ILE 110 2HD1 ILE 110 9.894 -5.285 3.571 245 H ASN 111 H ASN 111 6.079 -8.147 3.815 246 HA ASN 111 HA ASN 111 6.241 -10.583 5.245 247 HB2 ASN 111 2HB ASN 111 5.150 -8.676 6.230 248 HB3 ASN 111 1HB ASN 111 3.959 -8.624 4.940 249 HD21 ASN 111 1HD2 ASN 111 5.053 -10.559 7.747 250 HD22 ASN 111 2HD2 ASN 111 3.598 -11.417 7.925 251 H LEU 112 H LEU 112 4.442 -9.612 2.385 252 HA LEU 112 HA LEU 112 2.815 -11.967 2.292 253 HB2 LEU 112 2HB LEU 112 3.494 -9.824 0.276 254 HB3 LEU 112 1HB LEU 112 2.493 -11.201 -0.151 255 HG LEU 112 HG LEU 112 1.875 -9.433 2.226 256 HD11 LEU 112 1HD1 LEU 112 0.326 -8.192 0.833 257 HD12 LEU 112 2HD1 LEU 112 0.716 -9.195 -0.559 258 HD13 LEU 112 3HD1 LEU 112 1.926 -8.097 0.099 259 HD21 LEU 112 3HD2 LEU 112 -0.470 -10.362 1.584 260 HD22 LEU 112 1HD2 LEU 112 0.662 -11.439 2.395 261 HD23 LEU 112 2HD2 LEU 112 0.427 -11.558 0.652 262 H GLY 113 H GLY 113 6.063 -11.559 1.834 263 HA2 GLY 113 2HA GLY 113 7.608 -13.230 1.234 264 HA3 GLY 113 1HA GLY 113 6.283 -14.165 0.550 265 H GLU 114 H GLU 114 6.389 -10.863 -0.379 266 HA GLU 114 HA GLU 114 7.706 -11.544 -2.956 267 HB2 GLU 114 2HB GLU 114 5.203 -9.910 -2.482 268 HB3 GLU 114 1HB GLU 114 6.080 -9.946 -4.010 269 HG2 GLU 114 2HG GLU 114 5.719 -12.355 -4.202 270 HG3 GLU 114 1HG GLU 114 4.933 -12.386 -2.624 271 H LYS 115 H LYS 115 9.061 -9.945 -3.801 272 HA LYS 115 HA LYS 115 9.257 -7.381 -2.343 273 HB2 LYS 115 2HB LYS 115 11.740 -7.612 -2.308 274 HB3 LYS 115 1HB LYS 115 10.933 -8.819 -1.306 275 HG2 LYS 115 2HG LYS 115 11.023 -10.348 -3.379 276 HG3 LYS 115 1HG LYS 115 12.183 -9.193 -4.028 277 HD2 LYS 115 2HD LYS 115 12.460 -10.589 -1.359 278 HD3 LYS 115 1HD LYS 115 13.283 -11.078 -2.840 279 HE2 LYS 115 2HE LYS 115 14.194 -8.687 -2.947 280 HE3 LYS 115 1HE LYS 115 13.625 -8.507 -1.287 281 HZ1 LYS 115 3HZ LYS 115 15.469 -9.504 -0.622 282 HZ2 LYS 115 1HZ LYS 115 15.958 -9.780 -2.222 283 HZ3 LYS 115 2HZ LYS 115 14.985 -10.921 -1.424 284 H LEU 116 H LEU 116 9.167 -5.778 -3.803 285 HA LEU 116 HA LEU 116 10.103 -6.331 -6.568 286 HB2 LEU 116 2HB LEU 116 8.223 -4.140 -5.655 287 HB3 LEU 116 1HB LEU 116 8.558 -4.639 -7.312 288 HG LEU 116 HG LEU 116 7.250 -6.380 -5.199 289 HD11 LEU 116 1HD1 LEU 116 6.103 -4.975 -7.630 290 HD12 LEU 116 2HD1 LEU 116 5.761 -4.569 -5.952 291 HD13 LEU 116 3HD1 LEU 116 5.220 -6.113 -6.613 292 HD21 LEU 116 3HD2 LEU 116 6.740 -7.723 -7.367 293 HD22 LEU 116 1HD2 LEU 116 8.357 -7.842 -6.681 294 HD23 LEU 116 2HD2 LEU 116 8.065 -6.799 -8.073 295 H THR 117 H THR 117 11.240 -4.569 -7.671 296 HA THR 117 HA THR 117 13.215 -3.372 -5.986 297 HB THR 117 HB THR 117 14.188 -2.539 -7.969 298 HG1 THR 117 1HG THR 117 11.615 -2.121 -8.608 299 HG21 THR 117 3HG2 THR 117 14.114 -4.413 -9.513 300 HG22 THR 117 1HG2 THR 117 12.565 -4.941 -8.854 301 HG23 THR 117 2HG2 THR 117 14.021 -5.035 -7.865 302 H ASP 118 H ASP 118 13.654 -0.916 -6.075 303 HA ASP 118 HA ASP 118 11.424 0.444 -4.987 304 HB2 ASP 118 2HB ASP 118 14.089 1.413 -6.013 305 HB3 ASP 118 1HB ASP 118 12.896 2.494 -5.295 306 H GLU 119 H GLU 119 12.888 0.517 -8.226 307 HA GLU 119 HA GLU 119 11.417 2.604 -9.320 308 HB2 GLU 119 2HB GLU 119 12.472 0.088 -10.583 309 HB3 GLU 119 1HB GLU 119 11.736 1.398 -11.506 310 HG2 GLU 119 2HG GLU 119 14.082 1.764 -9.625 311 HG3 GLU 119 1HG GLU 119 14.221 1.555 -11.359 312 H GLU 120 H GLU 120 10.495 -0.798 -8.837 313 HA GLU 120 HA GLU 120 8.032 -0.545 -10.271 314 HB2 GLU 120 2HB GLU 120 9.078 -2.598 -8.308 315 HB3 GLU 120 1HB GLU 120 7.510 -2.730 -9.105 316 HG2 GLU 120 2HG GLU 120 10.132 -2.424 -10.574 317 HG3 GLU 120 1HG GLU 120 9.352 -3.968 -10.278 318 H VAL 121 H VAL 121 8.919 -0.602 -6.818 319 HA VAL 121 HA VAL 121 6.292 -0.218 -5.842 320 HB VAL 121 HB VAL 121 8.949 0.534 -4.600 321 HG11 VAL 121 1HG1 VAL 121 6.148 0.361 -3.450 322 HG12 VAL 121 2HG1 VAL 121 7.196 1.780 -3.494 323 HG13 VAL 121 3HG1 VAL 121 7.608 0.411 -2.461 324 HG21 VAL 121 3HG2 VAL 121 7.147 -1.869 -4.171 325 HG22 VAL 121 1HG2 VAL 121 8.706 -1.583 -3.401 326 HG23 VAL 121 2HG2 VAL 121 8.623 -1.886 -5.136 327 H GLU 122 H GLU 122 8.913 2.118 -6.518 328 HA GLU 122 HA GLU 122 7.527 4.429 -5.754 329 HB2 GLU 122 2HB GLU 122 9.656 4.011 -7.862 330 HB3 GLU 122 1HB GLU 122 9.069 5.596 -7.368 331 HG2 GLU 122 2HG GLU 122 10.209 3.560 -5.440 332 HG3 GLU 122 1HG GLU 122 11.157 4.860 -6.162 333 H GLN 123 H GLN 123 7.480 2.595 -8.769 334 HA GLN 123 HA GLN 123 5.901 4.524 -10.196 335 HB2 GLN 123 2HB GLN 123 6.649 1.649 -10.676 336 HB3 GLN 123 1HB GLN 123 5.468 2.459 -11.706 337 HG2 GLN 123 2HG GLN 123 7.065 4.151 -12.338 338 HG3 GLN 123 1HG GLN 123 8.229 3.571 -11.150 339 HE21 GLN 123 1HE2 GLN 123 8.446 3.730 -14.181 340 HE22 GLN 123 2HE2 GLN 123 8.835 2.149 -14.664 341 H MET 124 H MET 124 5.174 1.671 -8.220 342 HA MET 124 HA MET 124 2.446 1.484 -8.892 343 HB2 MET 124 2HB MET 124 3.718 -0.310 -7.756 344 HB3 MET 124 1HB MET 124 3.839 0.709 -6.322 345 HG2 MET 124 2HG MET 124 1.989 -0.854 -6.062 346 HG3 MET 124 1HG MET 124 1.371 0.786 -6.193 347 HE1 MET 124 3HE MET 124 2.159 -2.512 -8.080 348 HE2 MET 124 1HE MET 124 0.573 -2.779 -8.812 349 HE3 MET 124 2HE MET 124 0.726 -2.622 -7.064 350 H ILE 125 H ILE 125 4.155 3.221 -6.289 351 HA ILE 125 HA ILE 125 1.831 4.230 -5.022 352 HB ILE 125 HB ILE 125 4.590 5.466 -5.169 353 HG12 ILE 125 2HG1 ILE 125 4.422 3.016 -4.378 354 HG13 ILE 125 1HG1 ILE 125 5.201 4.146 -3.280 355 HG21 ILE 125 1HG2 ILE 125 2.182 5.908 -3.411 356 HG22 ILE 125 2HG2 ILE 125 3.185 7.104 -4.231 357 HG23 ILE 125 3HG2 ILE 125 3.803 6.260 -2.811 358 HD11 ILE 125 3HD1 ILE 125 3.190 4.315 -1.935 359 HD12 ILE 125 1HD1 ILE 125 3.559 2.611 -2.161 360 HD13 ILE 125 2HD1 ILE 125 2.280 3.364 -3.099 361 H LYS 126 H LYS 126 3.984 5.617 -7.452 362 HA LYS 126 HA LYS 126 2.579 8.051 -7.792 363 HB2 LYS 126 2HB LYS 126 4.402 6.536 -9.621 364 HB3 LYS 126 1HB LYS 126 3.776 8.137 -9.996 365 HG2 LYS 126 2HG LYS 126 4.774 9.011 -7.918 366 HG3 LYS 126 1HG LYS 126 5.393 7.403 -7.541 367 HD2 LYS 126 2HD LYS 126 6.738 7.423 -9.603 368 HD3 LYS 126 1HD LYS 126 6.114 9.024 -10.001 369 HE2 LYS 126 2HE LYS 126 7.095 9.925 -7.927 370 HE3 LYS 126 1HE LYS 126 7.724 8.329 -7.525 371 HZ1 LYS 126 3HZ LYS 126 8.452 9.042 -10.163 372 HZ2 LYS 126 1HZ LYS 126 9.453 8.665 -8.847 373 HZ3 LYS 126 2HZ LYS 126 8.932 10.265 -9.085 374 H GLU 127 H GLU 127 2.377 4.952 -9.496 375 HA GLU 127 HA GLU 127 0.403 5.790 -11.367 376 HB2 GLU 127 2HB GLU 127 1.886 3.819 -11.637 377 HB3 GLU 127 1HB GLU 127 0.960 3.007 -10.389 378 HG2 GLU 127 2HG GLU 127 -1.083 3.205 -11.712 379 HG3 GLU 127 1HG GLU 127 -0.216 4.105 -12.955 380 H ALA 128 H ALA 128 0.286 4.295 -8.189 381 HA ALA 128 HA ALA 128 -2.571 3.857 -8.272 382 HB1 ALA 128 1HB ALA 128 -2.374 3.173 -5.979 383 HB2 ALA 128 2HB ALA 128 -0.788 3.936 -5.840 384 HB3 ALA 128 3HB ALA 128 -0.994 2.514 -6.863 385 H ASP 129 H ASP 129 -0.452 6.434 -7.222 386 HA ASP 129 HA ASP 129 -2.459 7.789 -5.672 387 HB2 ASP 129 2HB ASP 129 0.191 8.609 -6.769 388 HB3 ASP 129 1HB ASP 129 -0.812 9.720 -5.864 389 H LEU 130 H LEU 130 -4.136 8.828 -6.470 390 HA LEU 130 HA LEU 130 -4.309 9.513 -9.248 391 HB2 LEU 130 2HB LEU 130 -6.290 8.805 -7.912 392 HB3 LEU 130 1HB LEU 130 -6.165 10.305 -6.999 393 HG LEU 130 HG LEU 130 -6.464 11.606 -9.104 394 HD11 LEU 130 1HD1 LEU 130 -6.477 8.833 -10.252 395 HD12 LEU 130 2HD1 LEU 130 -5.705 10.291 -10.874 396 HD13 LEU 130 3HD1 LEU 130 -7.446 10.083 -11.028 397 HD21 LEU 130 3HD2 LEU 130 -8.869 10.835 -9.529 398 HD22 LEU 130 1HD2 LEU 130 -8.465 11.232 -7.858 399 HD23 LEU 130 2HD2 LEU 130 -8.555 9.545 -8.367 400 H ASP 131 H ASP 131 -3.400 11.210 -6.354 401 HA ASP 131 HA ASP 131 -3.310 13.743 -7.892 402 HB2 ASP 131 2HB ASP 131 -3.315 14.862 -5.678 403 HB3 ASP 131 1HB ASP 131 -4.773 13.919 -5.975 404 H GLY 132 H GLY 132 -1.254 11.436 -7.589 405 HA2 GLY 132 2HA GLY 132 1.003 11.213 -7.083 406 HA3 GLY 132 1HA GLY 132 1.072 12.773 -7.895 407 H ASP 133 H ASP 133 -0.453 12.052 -4.739 408 HA ASP 133 HA ASP 133 0.956 14.259 -3.527 409 HB2 ASP 133 2HB ASP 133 -0.309 13.731 -1.543 410 HB3 ASP 133 1HB ASP 133 -1.391 13.571 -2.927 411 H GLY 134 H GLY 134 1.548 10.912 -3.963 412 HA2 GLY 134 2HA GLY 134 3.664 9.918 -3.553 413 HA3 GLY 134 1HA GLY 134 3.956 11.110 -2.290 414 H GLN 135 H GLN 135 0.933 10.422 -1.646 415 HA GLN 135 HA GLN 135 1.576 8.107 0.089 416 HB2 GLN 135 2HB GLN 135 0.280 10.727 0.536 417 HB3 GLN 135 1HB GLN 135 -0.525 9.356 1.270 418 HG2 GLN 135 2HG GLN 135 1.420 8.734 2.502 419 HG3 GLN 135 1HG GLN 135 2.431 9.841 1.571 420 HE21 GLN 135 1HE2 GLN 135 1.803 9.745 4.576 421 HE22 GLN 135 2HE2 GLN 135 1.248 11.308 4.932 422 H VAL 136 H VAL 136 0.295 6.344 -0.067 423 HA VAL 136 HA VAL 136 -1.824 6.360 -2.058 424 HB VAL 136 HB VAL 136 -0.788 4.177 -0.243 425 HG11 VAL 136 1HG1 VAL 136 -2.036 2.693 -1.890 426 HG12 VAL 136 2HG1 VAL 136 -2.822 4.157 -2.480 427 HG13 VAL 136 3HG1 VAL 136 -3.066 3.640 -0.815 428 HG21 VAL 136 3HG2 VAL 136 0.071 3.334 -2.499 429 HG22 VAL 136 1HG2 VAL 136 0.888 4.746 -1.828 430 HG23 VAL 136 2HG2 VAL 136 -0.296 4.943 -3.120 431 H ASN 137 H ASN 137 -3.891 6.991 -1.514 432 HA ASN 137 HA ASN 137 -4.658 6.933 1.328 433 HB2 ASN 137 2HB ASN 137 -4.988 9.024 -0.006 434 HB3 ASN 137 1HB ASN 137 -6.119 8.155 -1.034 435 HD21 ASN 137 1HD2 ASN 137 -5.595 8.746 2.493 436 HD22 ASN 137 2HD2 ASN 137 -7.245 8.913 2.849 437 H TYR 138 H TYR 138 -7.046 6.313 1.715 438 HA TYR 138 HA TYR 138 -7.415 3.631 1.182 439 HB2 TYR 138 2HB TYR 138 -8.622 4.958 2.915 440 HB3 TYR 138 1HB TYR 138 -9.627 5.625 1.633 441 HD1 TYR 138 1HD TYR 138 -8.705 2.524 3.432 442 HD2 TYR 138 2HD TYR 138 -11.333 4.326 0.554 443 HE1 TYR 138 1HE TYR 138 -10.163 0.526 3.511 444 HE2 TYR 138 2HE TYR 138 -12.793 2.325 0.636 445 HH TYR 138 HH TYR 138 -13.148 0.389 2.674 446 H GLU 139 H GLU 139 -8.849 6.412 -0.585 447 HA GLU 139 HA GLU 139 -10.423 4.937 -2.364 448 HB2 GLU 139 2HB GLU 139 -10.505 7.407 -2.084 449 HB3 GLU 139 1HB GLU 139 -8.966 7.523 -2.935 450 HG2 GLU 139 2HG GLU 139 -9.960 6.489 -4.924 451 HG3 GLU 139 1HG GLU 139 -11.496 6.309 -4.078 452 H GLU 140 H GLU 140 -7.048 5.947 -2.722 453 HA GLU 140 HA GLU 140 -6.773 4.734 -5.277 454 HB2 GLU 140 2HB GLU 140 -4.643 5.499 -3.261 455 HB3 GLU 140 1HB GLU 140 -4.342 5.054 -4.927 456 HG2 GLU 140 2HG GLU 140 -5.222 7.003 -5.769 457 HG3 GLU 140 1HG GLU 140 -6.330 7.193 -4.427 458 H PHE 141 H PHE 141 -6.234 3.627 -1.957 459 HA PHE 141 HA PHE 141 -4.887 1.229 -2.630 460 HB2 PHE 141 2HB PHE 141 -5.088 2.288 -0.322 461 HB3 PHE 141 1HB PHE 141 -6.716 1.621 -0.258 462 HD1 PHE 141 2HD PHE 141 -3.239 0.507 -1.164 463 HD2 PHE 141 1HD PHE 141 -6.960 -0.459 0.762 464 HE1 PHE 141 2HE PHE 141 -2.309 -1.676 -0.463 465 HE2 PHE 141 1HE PHE 141 -6.025 -2.648 1.459 466 HZ PHE 141 HZ PHE 141 -3.699 -3.256 0.847 467 H VAL 142 H VAL 142 -8.305 1.797 -1.762 468 HA VAL 142 HA VAL 142 -9.195 -0.800 -2.317 469 HB VAL 142 HB VAL 142 -10.507 0.957 -1.110 470 HG11 VAL 142 1HG1 VAL 142 -11.142 2.015 -3.870 471 HG12 VAL 142 2HG1 VAL 142 -9.952 2.748 -2.801 472 HG13 VAL 142 3HG1 VAL 142 -11.642 2.687 -2.318 473 HG21 VAL 142 3HG2 VAL 142 -11.951 -0.201 -3.516 474 HG22 VAL 142 1HG2 VAL 142 -12.678 0.284 -1.985 475 HG23 VAL 142 2HG2 VAL 142 -11.586 -1.099 -2.045 476 H LYS 143 H LYS 143 -8.915 2.043 -4.375 477 HA LYS 143 HA LYS 143 -10.086 0.947 -6.710 478 HB2 LYS 143 2HB LYS 143 -9.641 3.354 -6.319 479 HB3 LYS 143 1HB LYS 143 -7.924 3.040 -6.461 480 HG2 LYS 143 2HG LYS 143 -8.236 2.222 -8.758 481 HG3 LYS 143 1HG LYS 143 -9.977 2.479 -8.623 482 HD2 LYS 143 2HD LYS 143 -9.587 4.895 -8.260 483 HD3 LYS 143 1HD LYS 143 -7.850 4.632 -8.422 484 HE2 LYS 143 2HE LYS 143 -8.166 3.811 -10.714 485 HE3 LYS 143 1HE LYS 143 -9.910 4.019 -10.561 486 HZ1 LYS 143 3HZ LYS 143 -9.751 6.203 -10.893 487 HZ2 LYS 143 1HZ LYS 143 -8.199 5.883 -11.498 488 HZ3 LYS 143 2HZ LYS 143 -8.396 6.368 -9.882 489 H MET 144 H MET 144 -6.681 1.244 -5.691 490 HA MET 144 HA MET 144 -5.572 -0.194 -7.876 491 HB2 MET 144 2HB MET 144 -4.345 1.210 -6.109 492 HB3 MET 144 1HB MET 144 -4.445 -0.175 -5.067 493 HG2 MET 144 2HG MET 144 -3.241 -1.546 -6.750 494 HG3 MET 144 1HG MET 144 -3.098 -0.123 -7.784 495 HE1 MET 144 3HE MET 144 -2.545 -0.129 -3.623 496 HE2 MET 144 1HE MET 144 -1.108 -1.136 -3.850 497 HE3 MET 144 2HE MET 144 -2.666 -1.659 -4.487 498 H MET 145 H MET 145 -6.811 -1.139 -4.728 499 HA MET 145 HA MET 145 -5.981 -3.818 -4.826 500 HB2 MET 145 2HB MET 145 -6.777 -2.744 -2.748 501 HB3 MET 145 1HB MET 145 -8.405 -2.678 -3.418 502 HG2 MET 145 2HG MET 145 -8.219 -4.628 -1.961 503 HG3 MET 145 1HG MET 145 -8.383 -5.171 -3.627 504 HE1 MET 145 3HE MET 145 -4.802 -3.807 -1.882 505 HE2 MET 145 1HE MET 145 -4.869 -5.208 -0.804 506 HE3 MET 145 2HE MET 145 -6.229 -4.092 -0.889 507 H MET 146 H MET 146 -8.919 -2.183 -5.955 508 HA MET 146 HA MET 146 -10.331 -4.497 -6.742 509 HB2 MET 146 2HB MET 146 -10.423 -1.604 -7.583 510 HB3 MET 146 1HB MET 146 -11.439 -2.814 -8.372 511 HG2 MET 146 2HG MET 146 -11.361 -2.449 -5.370 512 HG3 MET 146 1HG MET 146 -12.509 -1.603 -6.404 513 HE1 MET 146 3HE MET 146 -14.674 -2.421 -6.984 514 HE2 MET 146 1HE MET 146 -14.552 -2.530 -5.222 515 HE3 MET 146 2HE MET 146 -15.349 -3.809 -6.135 516 H THR 147 H THR 147 -7.917 -2.498 -8.364 517 HA THR 147 HA THR 147 -8.162 -3.602 -10.943 518 HB THR 147 HB THR 147 -5.577 -2.617 -9.708 519 HG1 THR 147 1HG THR 147 -7.910 -1.280 -10.465 520 HG21 THR 147 3HG2 THR 147 -5.225 -1.794 -12.050 521 HG22 THR 147 1HG2 THR 147 -6.709 -2.627 -12.518 522 HG23 THR 147 2HG2 THR 147 -5.327 -3.551 -11.929 523 H VAL 148 H VAL 148 -5.434 -4.233 -8.735 524 HA VAL 148 HA VAL 148 -4.697 -6.653 -10.011 525 HB VAL 148 HB VAL 148 -4.045 -5.530 -7.280 526 HG11 VAL 148 1HG1 VAL 148 -2.128 -7.208 -7.413 527 HG12 VAL 148 2HG1 VAL 148 -3.020 -7.992 -8.716 528 HG13 VAL 148 3HG1 VAL 148 -3.719 -7.900 -7.099 529 HG21 VAL 148 3HG2 VAL 148 -2.376 -5.758 -9.802 530 HG22 VAL 148 1HG2 VAL 148 -1.941 -4.910 -8.317 531 HG23 VAL 148 2HG2 VAL 148 -3.248 -4.299 -9.332 532 H ARG 149 H ARG 149 -6.592 -6.006 -7.069 533 HA ARG 149 HA ARG 149 -7.966 -7.379 -5.833 534 HB2 ARG 149 2HB ARG 149 -9.199 -7.373 -7.991 535 HB3 ARG 149 1HB ARG 149 -8.291 -8.801 -8.486 536 HG2 ARG 149 2HG ARG 149 -9.200 -10.075 -6.600 537 HG3 ARG 149 1HG ARG 149 -10.048 -8.643 -6.018 538 HD2 ARG 149 2HD ARG 149 -11.619 -10.024 -7.243 539 HD3 ARG 149 1HD ARG 149 -11.300 -8.568 -8.180 540 HE ARG 149 HE ARG 149 -9.505 -10.626 -8.956 541 HH11 ARG 149 1HH2 ARG 149 -12.804 -9.642 -9.097 542 HH12 ARG 149 2HH2 ARG 149 -13.133 -10.440 -10.598 543 HH21 ARG 149 1HH1 ARG 149 -9.912 -11.684 -10.935 544 HH22 ARG 149 2HH1 ARG 149 -11.491 -11.600 -11.642 Start of MODEL 15 1 H1 ASP 80 1HT ASP 80 -18.271 -7.108 3.605 2 H2 ASP 80 2HT ASP 80 -19.216 -8.016 4.685 3 H3 ASP 80 3HT ASP 80 -18.826 -8.646 3.156 4 HA ASP 80 HA ASP 80 -17.192 -8.440 5.565 5 HB2 ASP 80 2HB ASP 80 -17.569 -10.430 3.324 6 HB3 ASP 80 1HB ASP 80 -16.344 -10.616 4.576 7 H ALA 81 H ALA 81 -16.815 -8.473 2.014 8 HA ALA 81 HA ALA 81 -14.034 -8.234 1.932 9 HB1 ALA 81 1HB ALA 81 -14.272 -7.517 -0.317 10 HB2 ALA 81 2HB ALA 81 -15.868 -6.830 -0.013 11 HB3 ALA 81 3HB ALA 81 -15.648 -8.581 -0.023 12 H GLU 82 H GLU 82 -16.508 -5.651 2.031 13 HA GLU 82 HA GLU 82 -14.648 -3.527 2.036 14 HB2 GLU 82 2HB GLU 82 -17.122 -3.378 1.494 15 HB3 GLU 82 1HB GLU 82 -17.426 -3.473 3.229 16 HG2 GLU 82 2HG GLU 82 -17.343 -1.152 2.685 17 HG3 GLU 82 1HG GLU 82 -15.832 -1.532 3.498 18 H GLU 83 H GLU 83 -16.044 -5.507 4.564 19 HA GLU 83 HA GLU 83 -15.178 -3.856 6.745 20 HB2 GLU 83 2HB GLU 83 -15.907 -6.792 6.611 21 HB3 GLU 83 1HB GLU 83 -15.506 -5.952 8.110 22 HG2 GLU 83 2HG GLU 83 -17.348 -4.388 7.773 23 HG3 GLU 83 1HG GLU 83 -17.719 -5.118 6.212 24 H GLU 84 H GLU 84 -13.982 -7.109 5.882 25 HA GLU 84 HA GLU 84 -11.604 -7.024 7.236 26 HB2 GLU 84 2HB GLU 84 -12.128 -8.284 4.532 27 HB3 GLU 84 1HB GLU 84 -10.733 -8.638 5.551 28 HG2 GLU 84 2HG GLU 84 -13.618 -9.000 6.407 29 HG3 GLU 84 1HG GLU 84 -12.577 -10.300 5.833 30 H LEU 85 H LEU 85 -12.299 -5.586 4.062 31 HA LEU 85 HA LEU 85 -9.646 -4.897 3.435 32 HB2 LEU 85 2HB LEU 85 -11.423 -4.816 1.756 33 HB3 LEU 85 1HB LEU 85 -12.236 -3.525 2.643 34 HG LEU 85 HG LEU 85 -10.268 -2.058 2.308 35 HD11 LEU 85 1HD1 LEU 85 -8.375 -3.388 2.189 36 HD12 LEU 85 2HD1 LEU 85 -8.611 -3.046 0.479 37 HD13 LEU 85 3HD1 LEU 85 -9.141 -4.588 1.149 38 HD21 LEU 85 3HD2 LEU 85 -10.406 -1.887 -0.212 39 HD22 LEU 85 1HD2 LEU 85 -11.963 -1.861 0.619 40 HD23 LEU 85 2HD2 LEU 85 -11.416 -3.334 -0.184 41 H LYS 86 H LYS 86 -12.191 -3.106 5.169 42 HA LYS 86 HA LYS 86 -10.684 -0.766 5.544 43 HB2 LYS 86 2HB LYS 86 -13.141 -0.902 5.894 44 HB3 LYS 86 1HB LYS 86 -12.861 -1.872 7.336 45 HG2 LYS 86 2HG LYS 86 -13.183 0.414 8.044 46 HG3 LYS 86 1HG LYS 86 -11.481 0.031 8.258 47 HD2 LYS 86 2HD LYS 86 -10.817 1.298 6.381 48 HD3 LYS 86 1HD LYS 86 -12.442 1.303 5.691 49 HE2 LYS 86 2HE LYS 86 -11.945 3.486 6.627 50 HE3 LYS 86 1HE LYS 86 -13.186 2.710 7.607 51 HZ1 LYS 86 3HZ LYS 86 -11.395 1.955 9.108 52 HZ2 LYS 86 1HZ LYS 86 -11.547 3.643 9.045 53 HZ3 LYS 86 2HZ LYS 86 -10.285 2.873 8.207 54 H GLU 87 H GLU 87 -10.902 -3.761 7.381 55 HA GLU 87 HA GLU 87 -9.420 -2.853 9.640 56 HB2 GLU 87 2HB GLU 87 -10.858 -4.885 9.638 57 HB3 GLU 87 1HB GLU 87 -9.686 -5.679 8.583 58 HG2 GLU 87 2HG GLU 87 -7.940 -5.416 10.272 59 HG3 GLU 87 1HG GLU 87 -9.051 -4.534 11.319 60 H ALA 88 H ALA 88 -8.478 -4.810 6.802 61 HA ALA 88 HA ALA 88 -5.767 -5.064 7.379 62 HB1 ALA 88 1HB ALA 88 -5.431 -5.342 4.952 63 HB2 ALA 88 2HB ALA 88 -7.050 -4.706 4.657 64 HB3 ALA 88 3HB ALA 88 -6.845 -6.237 5.508 65 H PHE 89 H PHE 89 -7.464 -2.422 5.700 66 HA PHE 89 HA PHE 89 -5.237 -0.874 5.020 67 HB2 PHE 89 2HB PHE 89 -7.494 -0.368 4.204 68 HB3 PHE 89 1HB PHE 89 -8.007 0.048 5.839 69 HD1 PHE 89 2HD PHE 89 -5.874 1.059 2.992 70 HD2 PHE 89 1HD PHE 89 -7.331 2.130 6.885 71 HE1 PHE 89 2HE PHE 89 -5.034 3.362 2.669 72 HE2 PHE 89 1HE PHE 89 -6.478 4.437 6.565 73 HZ PHE 89 HZ PHE 89 -5.318 5.049 4.460 74 H LYS 90 H LYS 90 -7.182 -0.906 8.012 75 HA LYS 90 HA LYS 90 -5.763 1.163 9.317 76 HB2 LYS 90 2HB LYS 90 -7.393 -1.146 10.378 77 HB3 LYS 90 1HB LYS 90 -6.703 0.110 11.405 78 HG2 LYS 90 2HG LYS 90 -7.933 1.836 10.173 79 HG3 LYS 90 1HG LYS 90 -8.568 0.625 9.069 80 HD2 LYS 90 2HD LYS 90 -10.324 0.923 10.628 81 HD3 LYS 90 1HD LYS 90 -9.516 -0.543 11.178 82 HE2 LYS 90 2HE LYS 90 -8.356 0.639 12.914 83 HE3 LYS 90 1HE LYS 90 -8.824 2.204 12.255 84 HZ1 LYS 90 3HZ LYS 90 -10.862 2.066 13.135 85 HZ2 LYS 90 1HZ LYS 90 -10.119 0.994 14.219 86 HZ3 LYS 90 2HZ LYS 90 -10.990 0.389 12.892 87 H VAL 91 H VAL 91 -5.126 -2.269 8.933 88 HA VAL 91 HA VAL 91 -3.001 -2.255 10.928 89 HB VAL 91 HB VAL 91 -3.793 -4.387 8.928 90 HG11 VAL 91 1HG1 VAL 91 -2.533 -5.825 10.639 91 HG12 VAL 91 2HG1 VAL 91 -1.874 -4.314 11.269 92 HG13 VAL 91 3HG1 VAL 91 -1.539 -4.796 9.606 93 HG21 VAL 91 3HG2 VAL 91 -5.508 -3.694 10.683 94 HG22 VAL 91 1HG2 VAL 91 -4.355 -4.233 11.904 95 HG23 VAL 91 2HG2 VAL 91 -5.015 -5.386 10.744 96 H PHE 92 H PHE 92 -3.345 -1.727 7.514 97 HA PHE 92 HA PHE 92 -0.634 -2.269 6.796 98 HB2 PHE 92 2HB PHE 92 -2.946 -0.876 5.491 99 HB3 PHE 92 1HB PHE 92 -1.335 -0.551 4.854 100 HD1 PHE 92 1HD PHE 92 -2.460 -3.759 6.386 101 HD2 PHE 92 2HD PHE 92 -1.475 -1.663 2.767 102 HE1 PHE 92 1HE PHE 92 -2.483 -5.894 5.147 103 HE2 PHE 92 2HE PHE 92 -1.505 -3.795 1.526 104 HZ PHE 92 HZ PHE 92 -2.005 -5.923 2.715 105 H ASP 93 H ASP 93 -2.334 0.555 7.987 106 HA ASP 93 HA ASP 93 -0.176 2.365 7.448 107 HB2 ASP 93 2HB ASP 93 -2.646 2.955 7.735 108 HB3 ASP 93 1HB ASP 93 -2.373 2.788 9.468 109 H LYS 94 H LYS 94 1.617 1.228 8.396 110 HA LYS 94 HA LYS 94 1.825 0.431 11.074 111 HB2 LYS 94 2HB LYS 94 3.537 -0.034 9.321 112 HB3 LYS 94 1HB LYS 94 4.031 1.656 9.399 113 HG2 LYS 94 2HG LYS 94 4.613 1.405 11.768 114 HG3 LYS 94 1HG LYS 94 4.064 -0.271 11.740 115 HD2 LYS 94 2HD LYS 94 5.773 -0.808 10.042 116 HD3 LYS 94 1HD LYS 94 6.326 0.867 10.070 117 HE2 LYS 94 2HE LYS 94 7.761 -0.531 11.495 118 HE3 LYS 94 1HE LYS 94 6.874 0.637 12.474 119 HZ1 LYS 94 3HZ LYS 94 5.234 -1.089 12.951 120 HZ2 LYS 94 1HZ LYS 94 6.782 -1.544 13.473 121 HZ3 LYS 94 2HZ LYS 94 6.139 -2.210 12.049 122 H ASP 95 H ASP 95 2.652 3.602 9.618 123 HA ASP 95 HA ASP 95 3.264 4.828 12.121 124 HB2 ASP 95 2HB ASP 95 2.382 6.282 9.626 125 HB3 ASP 95 1HB ASP 95 3.461 6.851 10.898 126 H GLN 96 H GLN 96 0.384 3.799 10.804 127 HA GLN 96 HA GLN 96 -1.842 4.296 11.197 128 HB2 GLN 96 2HB GLN 96 -0.566 5.110 13.820 129 HB3 GLN 96 1HB GLN 96 -2.308 4.985 13.576 130 HG2 GLN 96 2HG GLN 96 -2.107 2.620 13.023 131 HG3 GLN 96 1HG GLN 96 -0.348 2.715 13.121 132 HE21 GLN 96 1HE2 GLN 96 -1.226 0.858 14.806 133 HE22 GLN 96 2HE2 GLN 96 -1.344 1.413 16.406 134 H ASN 97 H ASN 97 -0.284 6.388 9.872 135 HA ASN 97 HA ASN 97 -1.236 8.900 11.025 136 HB2 ASN 97 2HB ASN 97 -0.068 9.905 9.054 137 HB3 ASN 97 1HB ASN 97 0.975 8.943 10.102 138 HD21 ASN 97 1HD2 ASN 97 -1.082 6.858 8.416 139 HD22 ASN 97 2HD2 ASN 97 -0.034 6.450 7.144 140 H GLY 98 H GLY 98 -2.668 6.559 9.201 141 HA2 GLY 98 2HA GLY 98 -4.823 6.689 8.286 142 HA3 GLY 98 1HA GLY 98 -4.667 8.440 8.200 143 H TYR 99 H TYR 99 -1.843 7.393 6.981 144 HA TYR 99 HA TYR 99 -2.856 7.056 4.209 145 HB2 TYR 99 2HB TYR 99 -0.715 8.927 5.226 146 HB3 TYR 99 1HB TYR 99 -0.854 8.459 3.536 147 HD1 TYR 99 1HD TYR 99 -2.721 9.999 6.365 148 HD2 TYR 99 2HD TYR 99 -2.464 9.465 2.113 149 HE1 TYR 99 1HE TYR 99 -4.515 11.675 6.045 150 HE2 TYR 99 2HE TYR 99 -4.261 11.136 1.795 151 HH TYR 99 HH TYR 99 -5.267 13.240 4.219 152 H ILE 100 H ILE 100 -1.784 5.493 3.016 153 HA ILE 100 HA ILE 100 0.236 3.924 4.445 154 HB ILE 100 HB ILE 100 -0.717 3.416 1.623 155 HG12 ILE 100 2HG1 ILE 100 -2.077 2.651 4.237 156 HG13 ILE 100 1HG1 ILE 100 -2.747 3.611 2.924 157 HG21 ILE 100 1HG2 ILE 100 1.275 2.215 2.750 158 HG22 ILE 100 2HG2 ILE 100 0.021 1.202 2.035 159 HG23 ILE 100 3HG2 ILE 100 0.065 1.448 3.779 160 HD11 ILE 100 3HD1 ILE 100 -3.635 1.421 2.626 161 HD12 ILE 100 1HD1 ILE 100 -2.072 0.658 2.907 162 HD13 ILE 100 2HD1 ILE 100 -2.359 1.572 1.426 163 H SER 101 H SER 101 2.363 4.135 4.137 164 HA SER 101 HA SER 101 3.310 5.982 2.024 165 HB2 SER 101 2HB SER 101 4.853 4.870 4.376 166 HB3 SER 101 1HB SER 101 5.331 6.196 3.321 167 HG SER 101 HG SER 101 3.577 6.143 5.441 168 H ALA 102 H ALA 102 5.166 5.422 0.730 169 HA ALA 102 HA ALA 102 5.052 2.914 -0.464 170 HB1 ALA 102 1HB ALA 102 7.299 3.434 -1.399 171 HB2 ALA 102 2HB ALA 102 7.410 4.808 -0.298 172 HB3 ALA 102 3HB ALA 102 6.170 4.781 -1.553 173 H SER 103 H SER 103 7.126 4.030 2.200 174 HA SER 103 HA SER 103 8.706 1.705 2.428 175 HB2 SER 103 2HB SER 103 7.853 3.686 4.552 176 HB3 SER 103 1HB SER 103 9.106 2.466 4.764 177 HG SER 103 HG SER 103 10.407 3.566 3.484 178 H GLU 104 H GLU 104 5.562 2.529 3.926 179 HA GLU 104 HA GLU 104 5.408 0.215 5.514 180 HB2 GLU 104 2HB GLU 104 3.277 2.028 4.369 181 HB3 GLU 104 1HB GLU 104 2.959 0.749 5.515 182 HG2 GLU 104 2HG GLU 104 4.549 1.785 7.108 183 HG3 GLU 104 1HG GLU 104 4.789 3.104 5.968 184 H LEU 105 H LEU 105 4.449 0.905 2.166 185 HA LEU 105 HA LEU 105 3.023 -1.500 1.726 186 HB2 LEU 105 2HB LEU 105 3.276 0.712 0.267 187 HB3 LEU 105 1HB LEU 105 4.574 -0.196 -0.494 188 HG LEU 105 HG LEU 105 2.585 -0.616 -1.774 189 HD11 LEU 105 1HD1 LEU 105 4.090 -2.596 -1.104 190 HD12 LEU 105 2HD1 LEU 105 2.492 -2.971 -1.740 191 HD13 LEU 105 3HD1 LEU 105 2.782 -3.051 -0.009 192 HD21 LEU 105 3HD2 LEU 105 0.470 -1.026 -0.925 193 HD22 LEU 105 1HD2 LEU 105 1.109 -0.033 0.379 194 HD23 LEU 105 2HD2 LEU 105 1.071 -1.787 0.543 195 H ARG 106 H ARG 106 6.421 -0.632 1.355 196 HA ARG 106 HA ARG 106 7.267 -3.038 0.122 197 HB2 ARG 106 2HB ARG 106 8.760 -1.035 1.834 198 HB3 ARG 106 1HB ARG 106 9.542 -2.414 1.057 199 HG2 ARG 106 2HG ARG 106 8.546 -1.606 -1.140 200 HG3 ARG 106 1HG ARG 106 8.070 -0.142 -0.291 201 HD2 ARG 106 2HD ARG 106 10.908 -1.182 -0.409 202 HD3 ARG 106 1HD ARG 106 10.262 0.024 -1.513 203 HE ARG 106 HE ARG 106 10.917 0.416 1.304 204 HH11 ARG 106 1HH2 ARG 106 9.274 1.507 -1.532 205 HH12 ARG 106 2HH2 ARG 106 9.212 3.163 -1.037 206 HH21 ARG 106 1HH1 ARG 106 10.842 2.595 1.974 207 HH22 ARG 106 2HH1 ARG 106 10.100 3.781 0.953 208 H HIS 107 H HIS 107 7.132 -2.084 3.548 209 HA HIS 107 HA HIS 107 8.191 -4.450 4.626 210 HB2 HIS 107 2HB HIS 107 7.711 -2.344 5.908 211 HB3 HIS 107 1HB HIS 107 5.999 -2.763 5.856 212 HD1 HIS 107 1HD HIS 107 5.463 -3.578 8.161 213 HD2 HIS 107 2HD HIS 107 9.037 -5.189 6.745 214 HE1 HIS 107 1HE HIS 107 6.226 -5.261 9.893 215 HE2 HIS 107 2HE HIS 107 8.404 -6.253 9.044 216 H VAL 108 H VAL 108 4.859 -3.614 3.733 217 HA VAL 108 HA VAL 108 3.664 -6.004 4.646 218 HB VAL 108 HB VAL 108 2.864 -4.134 2.401 219 HG11 VAL 108 1HG1 VAL 108 1.398 -6.428 3.728 220 HG12 VAL 108 2HG1 VAL 108 1.777 -6.258 2.012 221 HG13 VAL 108 3HG1 VAL 108 0.593 -5.192 2.764 222 HG21 VAL 108 3HG2 VAL 108 1.654 -4.420 5.160 223 HG22 VAL 108 1HG2 VAL 108 1.461 -3.091 4.015 224 HG23 VAL 108 2HG2 VAL 108 2.999 -3.322 4.847 225 H MET 109 H MET 109 5.003 -5.112 1.463 226 HA MET 109 HA MET 109 4.377 -7.488 0.114 227 HB2 MET 109 2HB MET 109 6.596 -5.466 -0.205 228 HB3 MET 109 1HB MET 109 6.499 -6.884 -1.249 229 HG2 MET 109 2HG MET 109 4.286 -6.257 -2.001 230 HG3 MET 109 1HG MET 109 4.226 -4.926 -0.846 231 HE1 MET 109 3HE MET 109 4.210 -3.217 -4.141 232 HE2 MET 109 1HE MET 109 3.343 -4.491 -3.277 233 HE3 MET 109 2HE MET 109 4.371 -4.894 -4.646 234 H ILE 110 H ILE 110 7.157 -6.672 2.172 235 HA ILE 110 HA ILE 110 8.576 -9.098 1.719 236 HB ILE 110 HB ILE 110 8.639 -7.144 4.033 237 HG12 ILE 110 2HG1 ILE 110 10.638 -7.633 1.806 238 HG13 ILE 110 1HG1 ILE 110 9.373 -6.407 1.709 239 HG21 ILE 110 1HG2 ILE 110 10.325 -9.582 3.408 240 HG22 ILE 110 2HG2 ILE 110 9.453 -9.228 4.899 241 HG23 ILE 110 3HG2 ILE 110 10.883 -8.289 4.469 242 HD11 ILE 110 3HD1 ILE 110 10.231 -5.382 3.800 243 HD12 ILE 110 1HD1 ILE 110 11.451 -5.395 2.526 244 HD13 ILE 110 2HD1 ILE 110 11.528 -6.577 3.835 245 H ASN 111 H ASN 111 6.217 -8.081 4.175 246 HA ASN 111 HA ASN 111 6.305 -10.434 5.726 247 HB2 ASN 111 2HB ASN 111 5.256 -8.513 6.664 248 HB3 ASN 111 1HB ASN 111 4.133 -8.372 5.318 249 HD21 ASN 111 1HD2 ASN 111 5.098 -10.900 7.737 250 HD22 ASN 111 2HD2 ASN 111 3.510 -11.424 8.030 251 H LEU 112 H LEU 112 4.495 -9.571 2.840 252 HA LEU 112 HA LEU 112 2.874 -11.948 2.880 253 HB2 LEU 112 2HB LEU 112 3.262 -9.631 1.054 254 HB3 LEU 112 1HB LEU 112 2.677 -11.114 0.312 255 HG LEU 112 HG LEU 112 0.839 -11.203 1.984 256 HD11 LEU 112 1HD1 LEU 112 0.433 -9.264 3.430 257 HD12 LEU 112 2HD1 LEU 112 1.889 -8.494 2.818 258 HD13 LEU 112 3HD1 LEU 112 2.014 -9.958 3.784 259 HD21 LEU 112 3HD2 LEU 112 -0.486 -9.452 0.994 260 HD22 LEU 112 1HD2 LEU 112 0.642 -10.007 -0.244 261 HD23 LEU 112 2HD2 LEU 112 0.950 -8.500 0.618 262 H GLY 113 H GLY 113 6.076 -11.568 2.372 263 HA2 GLY 113 2HA GLY 113 7.638 -13.149 1.665 264 HA3 GLY 113 1HA GLY 113 6.307 -14.149 1.094 265 H GLU 114 H GLU 114 6.179 -10.910 0.040 266 HA GLU 114 HA GLU 114 7.245 -11.671 -2.631 267 HB2 GLU 114 2HB GLU 114 4.986 -9.801 -1.874 268 HB3 GLU 114 1HB GLU 114 5.662 -9.919 -3.497 269 HG2 GLU 114 2HG GLU 114 5.064 -12.298 -3.595 270 HG3 GLU 114 1HG GLU 114 4.434 -12.221 -1.949 271 H LYS 115 H LYS 115 8.748 -10.323 -3.554 272 HA LYS 115 HA LYS 115 9.290 -7.705 -2.276 273 HB2 LYS 115 2HB LYS 115 11.800 -8.334 -2.627 274 HB3 LYS 115 1HB LYS 115 10.958 -8.964 -1.211 275 HG2 LYS 115 2HG LYS 115 10.771 -10.640 -3.688 276 HG3 LYS 115 1HG LYS 115 12.359 -10.557 -2.929 277 HD2 LYS 115 2HD LYS 115 11.392 -11.259 -0.785 278 HD3 LYS 115 1HD LYS 115 9.787 -11.310 -1.510 279 HE2 LYS 115 2HE LYS 115 10.561 -13.020 -3.106 280 HE3 LYS 115 1HE LYS 115 12.161 -12.981 -2.364 281 HZ1 LYS 115 3HZ LYS 115 11.445 -14.065 -0.532 282 HZ2 LYS 115 1HZ LYS 115 10.298 -14.682 -1.618 283 HZ3 LYS 115 2HZ LYS 115 9.885 -13.393 -0.592 284 H LEU 116 H LEU 116 8.966 -6.307 -3.904 285 HA LEU 116 HA LEU 116 9.849 -7.042 -6.639 286 HB2 LEU 116 2HB LEU 116 7.871 -4.965 -5.666 287 HB3 LEU 116 1HB LEU 116 8.377 -5.146 -7.335 288 HG LEU 116 HG LEU 116 7.653 -7.636 -7.089 289 HD11 LEU 116 1HD1 LEU 116 6.379 -6.357 -4.653 290 HD12 LEU 116 2HD1 LEU 116 7.302 -7.855 -4.748 291 HD13 LEU 116 3HD1 LEU 116 5.688 -7.778 -5.427 292 HD21 LEU 116 3HD2 LEU 116 5.746 -5.288 -7.168 293 HD22 LEU 116 1HD2 LEU 116 5.213 -6.946 -7.457 294 HD23 LEU 116 2HD2 LEU 116 6.403 -6.203 -8.527 295 H THR 117 H THR 117 10.670 -5.112 -7.933 296 HA THR 117 HA THR 117 12.871 -3.951 -6.492 297 HB THR 117 HB THR 117 13.583 -3.091 -8.576 298 HG1 THR 117 1HG THR 117 11.316 -3.549 -10.017 299 HG21 THR 117 3HG2 THR 117 13.418 -4.963 -10.075 300 HG22 THR 117 1HG2 THR 117 11.904 -5.489 -9.340 301 HG23 THR 117 2HG2 THR 117 13.413 -5.612 -8.435 302 H ASP 118 H ASP 118 13.272 -1.563 -6.425 303 HA ASP 118 HA ASP 118 11.121 -0.215 -5.191 304 HB2 ASP 118 2HB ASP 118 13.749 0.771 -6.305 305 HB3 ASP 118 1HB ASP 118 12.604 1.832 -5.485 306 H GLU 119 H GLU 119 12.411 -0.069 -8.489 307 HA GLU 119 HA GLU 119 10.925 2.103 -9.426 308 HB2 GLU 119 2HB GLU 119 11.861 -0.387 -10.869 309 HB3 GLU 119 1HB GLU 119 11.151 1.009 -11.682 310 HG2 GLU 119 2HG GLU 119 12.915 2.457 -10.762 311 HG3 GLU 119 1HG GLU 119 13.616 1.079 -9.908 312 H GLU 120 H GLU 120 9.980 -1.270 -8.960 313 HA GLU 120 HA GLU 120 7.463 -0.977 -10.323 314 HB2 GLU 120 2HB GLU 120 8.446 -3.056 -8.356 315 HB3 GLU 120 1HB GLU 120 6.935 -3.167 -9.259 316 HG2 GLU 120 2HG GLU 120 9.673 -2.897 -10.524 317 HG3 GLU 120 1HG GLU 120 8.806 -4.422 -10.345 318 H VAL 121 H VAL 121 8.446 -1.104 -6.898 319 HA VAL 121 HA VAL 121 5.840 -0.654 -5.864 320 HB VAL 121 HB VAL 121 8.559 -0.086 -4.640 321 HG11 VAL 121 1HG1 VAL 121 7.226 -0.219 -2.482 322 HG12 VAL 121 2HG1 VAL 121 5.766 -0.105 -3.467 323 HG13 VAL 121 3HG1 VAL 121 6.926 1.224 -3.454 324 HG21 VAL 121 3HG2 VAL 121 7.986 -2.475 -5.286 325 HG22 VAL 121 1HG2 VAL 121 6.637 -2.380 -4.152 326 HG23 VAL 121 2HG2 VAL 121 8.295 -2.227 -3.567 327 H GLU 122 H GLU 122 8.535 1.565 -6.613 328 HA GLU 122 HA GLU 122 7.197 3.918 -5.747 329 HB2 GLU 122 2HB GLU 122 9.444 3.511 -7.733 330 HB3 GLU 122 1HB GLU 122 8.898 5.080 -7.158 331 HG2 GLU 122 2HG GLU 122 9.866 2.866 -5.337 332 HG3 GLU 122 1HG GLU 122 10.881 4.192 -5.901 333 H GLN 123 H GLN 123 7.393 2.288 -8.877 334 HA GLN 123 HA GLN 123 5.953 4.286 -10.277 335 HB2 GLN 123 2HB GLN 123 7.308 2.633 -11.477 336 HB3 GLN 123 1HB GLN 123 6.275 1.332 -10.882 337 HG2 GLN 123 2HG GLN 123 4.383 2.181 -12.119 338 HG3 GLN 123 1HG GLN 123 5.266 3.642 -12.564 339 HE21 GLN 123 1HE2 GLN 123 4.180 1.971 -14.589 340 HE22 GLN 123 2HE2 GLN 123 5.456 1.222 -15.421 341 H MET 124 H MET 124 4.937 1.293 -8.646 342 HA MET 124 HA MET 124 2.208 1.495 -9.371 343 HB2 MET 124 2HB MET 124 3.265 -0.594 -8.568 344 HB3 MET 124 1HB MET 124 3.472 0.140 -6.975 345 HG2 MET 124 2HG MET 124 1.088 0.361 -6.703 346 HG3 MET 124 1HG MET 124 0.810 -0.160 -8.357 347 HE1 MET 124 3HE MET 124 1.663 -0.905 -4.836 348 HE2 MET 124 1HE MET 124 3.196 -1.567 -5.417 349 HE3 MET 124 2HE MET 124 1.984 -2.632 -4.711 350 H ILE 125 H ILE 125 4.088 2.636 -6.579 351 HA ILE 125 HA ILE 125 1.906 3.573 -5.059 352 HB ILE 125 HB ILE 125 4.832 4.314 -5.207 353 HG12 ILE 125 2HG1 ILE 125 3.796 2.167 -4.083 354 HG13 ILE 125 1HG1 ILE 125 5.047 3.068 -3.235 355 HG21 ILE 125 1HG2 ILE 125 2.662 5.649 -3.584 356 HG22 ILE 125 2HG2 ILE 125 3.886 6.406 -4.612 357 HG23 ILE 125 3HG2 ILE 125 4.352 5.668 -3.075 358 HD11 ILE 125 3HD1 ILE 125 3.487 4.074 -1.767 359 HD12 ILE 125 1HD1 ILE 125 2.951 2.400 -1.887 360 HD13 ILE 125 2HD1 ILE 125 2.126 3.656 -2.792 361 H LYS 126 H LYS 126 4.198 5.498 -6.968 362 HA LYS 126 HA LYS 126 2.789 7.893 -6.942 363 HB2 LYS 126 2HB LYS 126 4.107 8.558 -8.807 364 HB3 LYS 126 1HB LYS 126 5.102 7.502 -7.814 365 HG2 LYS 126 2HG LYS 126 4.486 5.620 -9.229 366 HG3 LYS 126 1HG LYS 126 3.681 6.727 -10.340 367 HD2 LYS 126 2HD LYS 126 6.623 6.704 -9.629 368 HD3 LYS 126 1HD LYS 126 5.906 6.351 -11.202 369 HE2 LYS 126 2HE LYS 126 4.884 8.742 -11.023 370 HE3 LYS 126 1HE LYS 126 6.140 8.997 -9.808 371 HZ1 LYS 126 3HZ LYS 126 6.815 7.841 -12.425 372 HZ2 LYS 126 1HZ LYS 126 7.808 8.678 -11.334 373 HZ3 LYS 126 2HZ LYS 126 6.649 9.522 -12.244 374 H GLU 127 H GLU 127 2.434 5.135 -9.063 375 HA GLU 127 HA GLU 127 0.529 6.375 -10.824 376 HB2 GLU 127 2HB GLU 127 1.925 4.462 -11.482 377 HB3 GLU 127 1HB GLU 127 1.030 3.452 -10.366 378 HG2 GLU 127 2HG GLU 127 -1.050 3.905 -11.571 379 HG3 GLU 127 1HG GLU 127 -0.198 4.996 -12.662 380 H ALA 128 H ALA 128 0.370 4.437 -7.927 381 HA ALA 128 HA ALA 128 -2.440 3.906 -8.055 382 HB1 ALA 128 1HB ALA 128 -0.543 3.904 -5.703 383 HB2 ALA 128 2HB ALA 128 -1.051 2.515 -6.659 384 HB3 ALA 128 3HB ALA 128 -2.220 3.356 -5.628 385 H ASP 129 H ASP 129 -0.536 6.551 -6.779 386 HA ASP 129 HA ASP 129 -2.677 7.707 -5.283 387 HB2 ASP 129 2HB ASP 129 -0.275 8.081 -4.816 388 HB3 ASP 129 1HB ASP 129 -0.172 9.059 -6.266 389 H LEU 130 H LEU 130 -4.329 8.801 -6.021 390 HA LEU 130 HA LEU 130 -4.341 9.683 -8.785 391 HB2 LEU 130 2HB LEU 130 -6.304 8.525 -7.614 392 HB3 LEU 130 1HB LEU 130 -6.573 10.058 -6.794 393 HG LEU 130 HG LEU 130 -6.534 11.096 -9.193 394 HD11 LEU 130 1HD1 LEU 130 -7.475 9.424 -10.876 395 HD12 LEU 130 2HD1 LEU 130 -6.942 8.154 -9.782 396 HD13 LEU 130 3HD1 LEU 130 -5.766 9.246 -10.506 397 HD21 LEU 130 3HD2 LEU 130 -8.805 9.312 -8.267 398 HD22 LEU 130 1HD2 LEU 130 -8.956 10.597 -9.466 399 HD23 LEU 130 2HD2 LEU 130 -8.544 10.991 -7.798 400 H ASP 131 H ASP 131 -3.965 11.080 -5.638 401 HA ASP 131 HA ASP 131 -4.415 13.798 -6.685 402 HB2 ASP 131 2HB ASP 131 -4.197 14.469 -4.307 403 HB3 ASP 131 1HB ASP 131 -5.504 13.319 -4.586 404 H GLY 132 H GLY 132 -1.922 11.839 -6.955 405 HA2 GLY 132 2HA GLY 132 0.381 12.064 -6.919 406 HA3 GLY 132 1HA GLY 132 0.014 13.708 -7.430 407 H ASP 133 H ASP 133 -1.104 12.636 -4.302 408 HA ASP 133 HA ASP 133 0.360 14.710 -2.977 409 HB2 ASP 133 2HB ASP 133 -0.673 13.892 -0.951 410 HB3 ASP 133 1HB ASP 133 -1.880 13.884 -2.236 411 H GLY 134 H GLY 134 1.075 11.500 -3.867 412 HA2 GLY 134 2HA GLY 134 3.240 10.551 -3.750 413 HA3 GLY 134 1HA GLY 134 3.613 11.616 -2.396 414 H GLN 135 H GLN 135 0.638 10.621 -1.687 415 HA GLN 135 HA GLN 135 1.548 8.206 -0.232 416 HB2 GLN 135 2HB GLN 135 -0.065 10.606 0.591 417 HB3 GLN 135 1HB GLN 135 -0.302 9.070 1.390 418 HG2 GLN 135 2HG GLN 135 2.393 10.388 1.095 419 HG3 GLN 135 1HG GLN 135 1.368 10.560 2.522 420 HE21 GLN 135 1HE2 GLN 135 4.078 9.141 2.111 421 HE22 GLN 135 2HE2 GLN 135 3.811 7.581 2.723 422 H VAL 136 H VAL 136 0.175 6.471 -0.167 423 HA VAL 136 HA VAL 136 -2.029 6.516 -2.094 424 HB VAL 136 HB VAL 136 -0.660 4.342 -0.501 425 HG11 VAL 136 1HG1 VAL 136 -2.954 3.671 -0.413 426 HG12 VAL 136 2HG1 VAL 136 -2.268 2.793 -1.778 427 HG13 VAL 136 3HG1 VAL 136 -3.256 4.228 -2.058 428 HG21 VAL 136 3HG2 VAL 136 0.372 5.146 -2.612 429 HG22 VAL 136 1HG2 VAL 136 -1.124 4.776 -3.469 430 HG23 VAL 136 2HG2 VAL 136 -0.182 3.474 -2.749 431 H ASN 137 H ASN 137 -4.007 7.190 -1.400 432 HA ASN 137 HA ASN 137 -4.650 7.034 1.467 433 HB2 ASN 137 2HB ASN 137 -5.094 9.147 0.305 434 HB3 ASN 137 1HB ASN 137 -6.149 8.312 -0.834 435 HD21 ASN 137 1HD2 ASN 137 -8.241 8.968 -0.273 436 HD22 ASN 137 2HD2 ASN 137 -8.872 8.928 1.303 437 H TYR 138 H TYR 138 -6.986 6.375 1.971 438 HA TYR 138 HA TYR 138 -7.366 3.688 1.457 439 HB2 TYR 138 2HB TYR 138 -8.554 4.910 3.228 440 HB3 TYR 138 1HB TYR 138 -9.514 5.751 2.009 441 HD1 TYR 138 1HD TYR 138 -8.692 2.373 3.363 442 HD2 TYR 138 2HD TYR 138 -11.424 4.732 1.038 443 HE1 TYR 138 1HE TYR 138 -10.280 0.475 3.304 444 HE2 TYR 138 2HE TYR 138 -13.016 2.834 0.980 445 HH TYR 138 HH TYR 138 -13.361 0.709 1.520 446 H GLU 139 H GLU 139 -8.970 6.416 -0.271 447 HA GLU 139 HA GLU 139 -10.496 4.844 -1.997 448 HB2 GLU 139 2HB GLU 139 -10.882 6.810 -3.214 449 HB3 GLU 139 1HB GLU 139 -10.560 7.386 -1.587 450 HG2 GLU 139 2HG GLU 139 -8.110 7.606 -2.341 451 HG3 GLU 139 1HG GLU 139 -8.740 7.411 -3.980 452 H GLU 140 H GLU 140 -7.163 6.051 -2.367 453 HA GLU 140 HA GLU 140 -6.857 4.996 -4.986 454 HB2 GLU 140 2HB GLU 140 -4.796 5.765 -2.940 455 HB3 GLU 140 1HB GLU 140 -4.452 5.374 -4.594 456 HG2 GLU 140 2HG GLU 140 -5.486 7.291 -5.440 457 HG3 GLU 140 1HG GLU 140 -6.510 7.466 -4.043 458 H PHE 141 H PHE 141 -6.169 3.788 -1.719 459 HA PHE 141 HA PHE 141 -4.769 1.476 -2.501 460 HB2 PHE 141 2HB PHE 141 -4.898 2.351 -0.162 461 HB3 PHE 141 1HB PHE 141 -6.575 1.812 -0.087 462 HD1 PHE 141 1HD PHE 141 -3.107 0.570 -0.770 463 HD2 PHE 141 2HD PHE 141 -7.079 -0.400 0.550 464 HE1 PHE 141 1HE PHE 141 -2.343 -1.703 -0.139 465 HE2 PHE 141 2HE PHE 141 -6.315 -2.673 1.177 466 HZ PHE 141 HZ PHE 141 -3.947 -3.325 0.833 467 H VAL 142 H VAL 142 -8.199 1.839 -1.588 468 HA VAL 142 HA VAL 142 -8.977 -0.767 -2.253 469 HB VAL 142 HB VAL 142 -10.367 0.841 -0.961 470 HG11 VAL 142 1HG1 VAL 142 -11.537 2.612 -2.042 471 HG12 VAL 142 2HG1 VAL 142 -11.046 2.049 -3.642 472 HG13 VAL 142 3HG1 VAL 142 -9.862 2.715 -2.536 473 HG21 VAL 142 3HG2 VAL 142 -11.261 -1.218 -2.296 474 HG22 VAL 142 1HG2 VAL 142 -11.930 -0.015 -3.400 475 HG23 VAL 142 2HG2 VAL 142 -12.424 -0.030 -1.708 476 H LYS 143 H LYS 143 -8.817 2.165 -4.201 477 HA LYS 143 HA LYS 143 -9.967 1.114 -6.537 478 HB2 LYS 143 2HB LYS 143 -9.569 3.512 -6.124 479 HB3 LYS 143 1HB LYS 143 -7.837 3.246 -6.215 480 HG2 LYS 143 2HG LYS 143 -8.573 4.081 -8.358 481 HG3 LYS 143 1HG LYS 143 -8.168 2.383 -8.562 482 HD2 LYS 143 2HD LYS 143 -10.434 1.714 -8.649 483 HD3 LYS 143 1HD LYS 143 -11.001 3.222 -7.931 484 HE2 LYS 143 2HE LYS 143 -11.484 3.235 -10.306 485 HE3 LYS 143 1HE LYS 143 -10.216 4.415 -9.981 486 HZ1 LYS 143 3HZ LYS 143 -9.968 1.737 -11.200 487 HZ2 LYS 143 1HZ LYS 143 -8.627 2.514 -10.510 488 HZ3 LYS 143 2HZ LYS 143 -9.450 3.234 -11.811 489 H MET 144 H MET 144 -6.572 1.404 -5.532 490 HA MET 144 HA MET 144 -5.426 0.102 -7.766 491 HB2 MET 144 2HB MET 144 -4.322 1.408 -5.752 492 HB3 MET 144 1HB MET 144 -4.233 -0.186 -5.031 493 HG2 MET 144 2HG MET 144 -3.157 0.412 -7.805 494 HG3 MET 144 1HG MET 144 -2.177 0.503 -6.351 495 HE1 MET 144 3HE MET 144 -1.602 -2.843 -5.069 496 HE2 MET 144 1HE MET 144 -3.139 -2.169 -4.519 497 HE3 MET 144 2HE MET 144 -1.753 -1.115 -4.778 498 H MET 145 H MET 145 -6.748 -1.020 -4.740 499 HA MET 145 HA MET 145 -5.894 -3.719 -4.969 500 HB2 MET 145 2HB MET 145 -6.695 -2.743 -2.836 501 HB3 MET 145 1HB MET 145 -8.321 -2.640 -3.508 502 HG2 MET 145 2HG MET 145 -8.129 -4.674 -2.163 503 HG3 MET 145 1HG MET 145 -8.296 -5.118 -3.858 504 HE1 MET 145 3HE MET 145 -4.751 -5.647 -1.055 505 HE2 MET 145 1HE MET 145 -6.481 -5.603 -0.684 506 HE3 MET 145 2HE MET 145 -5.641 -4.130 -1.165 507 H MET 146 H MET 146 -8.760 -1.976 -6.081 508 HA MET 146 HA MET 146 -10.201 -4.238 -6.987 509 HB2 MET 146 2HB MET 146 -10.265 -1.305 -7.698 510 HB3 MET 146 1HB MET 146 -11.294 -2.471 -8.528 511 HG2 MET 146 2HG MET 146 -11.201 -2.145 -5.517 512 HG3 MET 146 1HG MET 146 -12.394 -1.364 -6.551 513 HE1 MET 146 3HE MET 146 -14.411 -2.268 -7.335 514 HE2 MET 146 1HE MET 146 -14.753 -3.960 -7.716 515 HE3 MET 146 2HE MET 146 -13.512 -3.089 -8.607 516 H THR 147 H THR 147 -7.798 -2.132 -8.509 517 HA THR 147 HA THR 147 -7.936 -2.919 -11.136 518 HB THR 147 HB THR 147 -5.374 -2.539 -9.569 519 HG1 THR 147 1HG THR 147 -6.635 -0.766 -9.245 520 HG21 THR 147 3HG2 THR 147 -4.680 -1.588 -11.861 521 HG22 THR 147 1HG2 THR 147 -6.096 -2.425 -12.497 522 HG23 THR 147 2HG2 THR 147 -4.805 -3.341 -11.722 523 H VAL 148 H VAL 148 -7.301 -4.895 -8.455 524 HA VAL 148 HA VAL 148 -5.694 -6.869 -9.800 525 HB VAL 148 HB VAL 148 -7.279 -7.098 -7.225 526 HG11 VAL 148 1HG1 VAL 148 -6.684 -9.292 -7.895 527 HG12 VAL 148 2HG1 VAL 148 -5.394 -8.819 -6.794 528 HG13 VAL 148 3HG1 VAL 148 -5.128 -8.767 -8.537 529 HG21 VAL 148 3HG2 VAL 148 -5.252 -6.439 -6.093 530 HG22 VAL 148 1HG2 VAL 148 -5.567 -5.222 -7.329 531 HG23 VAL 148 2HG2 VAL 148 -4.338 -6.457 -7.601 532 H ARG 149 H ARG 149 -8.863 -5.978 -10.139 533 HA ARG 149 HA ARG 149 -10.317 -8.354 -10.147 534 HB2 ARG 149 2HB ARG 149 -10.941 -5.798 -10.747 535 HB3 ARG 149 1HB ARG 149 -10.830 -6.425 -12.387 536 HG2 ARG 149 2HG ARG 149 -12.536 -7.606 -10.169 537 HG3 ARG 149 1HG ARG 149 -13.133 -6.625 -11.506 538 HD2 ARG 149 2HD ARG 149 -11.805 -9.341 -11.690 539 HD3 ARG 149 1HD ARG 149 -13.474 -8.949 -12.077 540 HE ARG 149 HE ARG 149 -11.822 -7.337 -13.679 541 HH11 ARG 149 1HH2 ARG 149 -12.635 -10.650 -13.147 542 HH12 ARG 149 2HH2 ARG 149 -12.351 -11.132 -14.785 543 HH21 ARG 149 1HH1 ARG 149 -11.443 -7.953 -15.838 544 HH22 ARG 149 2HH1 ARG 149 -11.676 -9.603 -16.312 Start of MODEL 16 1 H1 ASP 80 1HT ASP 80 -18.758 -5.734 4.678 2 H2 ASP 80 2HT ASP 80 -19.689 -6.765 5.658 3 H3 ASP 80 3HT ASP 80 -19.400 -7.165 4.033 4 HA ASP 80 HA ASP 80 -17.583 -7.299 6.336 5 HB2 ASP 80 2HB ASP 80 -18.368 -9.093 4.041 6 HB3 ASP 80 1HB ASP 80 -16.996 -9.446 5.089 7 H ALA 81 H ALA 81 -17.579 -7.041 2.772 8 HA ALA 81 HA ALA 81 -14.815 -7.035 2.381 9 HB1 ALA 81 1HB ALA 81 -16.719 -5.266 0.843 10 HB2 ALA 81 2HB ALA 81 -16.642 -7.013 0.605 11 HB3 ALA 81 3HB ALA 81 -15.228 -6.014 0.271 12 H GLU 82 H GLU 82 -16.974 -4.256 3.005 13 HA GLU 82 HA GLU 82 -14.964 -2.295 3.007 14 HB2 GLU 82 2HB GLU 82 -17.442 -1.884 2.915 15 HB3 GLU 82 1HB GLU 82 -17.495 -2.226 4.646 16 HG2 GLU 82 2HG GLU 82 -17.279 0.136 4.430 17 HG3 GLU 82 1HG GLU 82 -15.708 -0.465 4.936 18 H GLU 83 H GLU 83 -16.017 -4.548 5.456 19 HA GLU 83 HA GLU 83 -14.654 -3.235 7.630 20 HB2 GLU 83 2HB GLU 83 -15.687 -6.061 7.320 21 HB3 GLU 83 1HB GLU 83 -14.972 -5.432 8.802 22 HG2 GLU 83 2HG GLU 83 -16.687 -3.699 8.939 23 HG3 GLU 83 1HG GLU 83 -17.373 -4.224 7.402 24 H GLU 84 H GLU 84 -13.985 -6.399 6.100 25 HA GLU 84 HA GLU 84 -11.444 -6.801 7.008 26 HB2 GLU 84 2HB GLU 84 -12.742 -8.351 5.516 27 HB3 GLU 84 1HB GLU 84 -12.275 -7.340 4.150 28 HG2 GLU 84 2HG GLU 84 -10.689 -9.149 4.269 29 HG3 GLU 84 1HG GLU 84 -9.867 -7.696 4.823 30 H LEU 85 H LEU 85 -12.365 -4.747 4.228 31 HA LEU 85 HA LEU 85 -9.725 -4.104 3.470 32 HB2 LEU 85 2HB LEU 85 -12.387 -2.749 3.090 33 HB3 LEU 85 1HB LEU 85 -10.901 -1.999 2.506 34 HG LEU 85 HG LEU 85 -11.525 -4.870 1.823 35 HD11 LEU 85 1HD1 LEU 85 -12.628 -4.099 -0.232 36 HD12 LEU 85 2HD1 LEU 85 -12.459 -2.423 0.292 37 HD13 LEU 85 3HD1 LEU 85 -13.505 -3.525 1.186 38 HD21 LEU 85 3HD2 LEU 85 -9.266 -3.500 1.390 39 HD22 LEU 85 1HD2 LEU 85 -10.170 -2.878 0.020 40 HD23 LEU 85 2HD2 LEU 85 -9.885 -4.610 0.175 41 H LYS 86 H LYS 86 -11.985 -2.489 5.702 42 HA LYS 86 HA LYS 86 -10.287 -0.308 6.292 43 HB2 LYS 86 2HB LYS 86 -12.831 -0.861 6.925 44 HB3 LYS 86 1HB LYS 86 -12.076 -1.364 8.435 45 HG2 LYS 86 2HG LYS 86 -11.756 1.341 7.099 46 HG3 LYS 86 1HG LYS 86 -12.698 1.008 8.551 47 HD2 LYS 86 2HD LYS 86 -10.467 0.046 9.497 48 HD3 LYS 86 1HD LYS 86 -9.711 0.959 8.188 49 HE2 LYS 86 2HE LYS 86 -9.716 2.431 10.058 50 HE3 LYS 86 1HE LYS 86 -11.034 2.980 9.023 51 HZ1 LYS 86 3HZ LYS 86 -12.176 1.083 10.614 52 HZ2 LYS 86 1HZ LYS 86 -12.316 2.762 10.808 53 HZ3 LYS 86 2HZ LYS 86 -11.129 1.904 11.671 54 H GLU 87 H GLU 87 -10.619 -3.528 7.779 55 HA GLU 87 HA GLU 87 -8.810 -3.054 9.912 56 HB2 GLU 87 2HB GLU 87 -10.426 -4.953 9.820 57 HB3 GLU 87 1HB GLU 87 -9.444 -5.674 8.547 58 HG2 GLU 87 2HG GLU 87 -7.512 -5.746 10.050 59 HG3 GLU 87 1HG GLU 87 -8.463 -4.991 11.326 60 H ALA 88 H ALA 88 -8.351 -4.733 6.782 61 HA ALA 88 HA ALA 88 -5.630 -5.218 7.010 62 HB1 ALA 88 1HB ALA 88 -5.608 -5.570 4.685 63 HB2 ALA 88 2HB ALA 88 -6.864 -4.367 4.397 64 HB3 ALA 88 3HB ALA 88 -7.274 -5.911 5.142 65 H PHE 89 H PHE 89 -7.262 -2.331 5.697 66 HA PHE 89 HA PHE 89 -4.985 -0.868 5.003 67 HB2 PHE 89 2HB PHE 89 -7.314 -0.223 4.424 68 HB3 PHE 89 1HB PHE 89 -7.576 0.224 6.111 69 HD1 PHE 89 2HD PHE 89 -6.232 2.084 7.131 70 HD2 PHE 89 1HD PHE 89 -6.072 1.199 2.937 71 HE1 PHE 89 2HE PHE 89 -5.250 4.313 6.700 72 HE2 PHE 89 1HE PHE 89 -5.096 3.429 2.500 73 HZ PHE 89 HZ PHE 89 -4.682 4.988 4.382 74 H LYS 90 H LYS 90 -6.716 -1.083 8.111 75 HA LYS 90 HA LYS 90 -5.175 0.821 9.495 76 HB2 LYS 90 2HB LYS 90 -7.327 -0.116 10.309 77 HB3 LYS 90 1HB LYS 90 -6.513 -1.649 10.621 78 HG2 LYS 90 2HG LYS 90 -5.008 -0.568 12.212 79 HG3 LYS 90 1HG LYS 90 -5.718 1.007 11.853 80 HD2 LYS 90 2HD LYS 90 -7.912 0.193 12.667 81 HD3 LYS 90 1HD LYS 90 -7.178 -1.364 13.057 82 HE2 LYS 90 2HE LYS 90 -5.663 -0.282 14.649 83 HE3 LYS 90 1HE LYS 90 -6.319 1.299 14.226 84 HZ1 LYS 90 3HZ LYS 90 -7.633 -0.921 15.661 85 HZ2 LYS 90 1HZ LYS 90 -8.551 0.275 14.884 86 HZ3 LYS 90 2HZ LYS 90 -7.477 0.706 16.129 87 H VAL 91 H VAL 91 -4.594 -2.583 8.762 88 HA VAL 91 HA VAL 91 -2.419 -2.891 10.594 89 HB VAL 91 HB VAL 91 -3.205 -4.453 8.131 90 HG11 VAL 91 1HG1 VAL 91 -0.883 -4.876 8.392 91 HG12 VAL 91 2HG1 VAL 91 -1.672 -6.201 9.246 92 HG13 VAL 91 3HG1 VAL 91 -0.993 -4.849 10.152 93 HG21 VAL 91 3HG2 VAL 91 -3.968 -6.091 9.828 94 HG22 VAL 91 1HG2 VAL 91 -4.795 -4.545 10.013 95 HG23 VAL 91 2HG2 VAL 91 -3.483 -4.979 11.107 96 H PHE 92 H PHE 92 -2.584 -2.240 7.095 97 HA PHE 92 HA PHE 92 0.228 -2.082 6.705 98 HB2 PHE 92 2HB PHE 92 -1.774 -0.483 5.111 99 HB3 PHE 92 1HB PHE 92 -0.232 -1.147 4.577 100 HD1 PHE 92 2HD PHE 92 -0.447 -3.897 5.796 101 HD2 PHE 92 1HD PHE 92 -3.289 -1.545 3.602 102 HE1 PHE 92 2HE PHE 92 -1.584 -5.955 5.082 103 HE2 PHE 92 1HE PHE 92 -4.434 -3.614 2.889 104 HZ PHE 92 HZ PHE 92 -3.579 -5.826 3.620 105 H ASP 93 H ASP 93 -2.161 0.267 7.759 106 HA ASP 93 HA ASP 93 -0.400 2.512 7.529 107 HB2 ASP 93 2HB ASP 93 -2.956 2.562 7.594 108 HB3 ASP 93 1HB ASP 93 -2.816 2.324 9.335 109 H LYS 94 H LYS 94 1.284 0.911 8.708 110 HA LYS 94 HA LYS 94 1.268 0.435 11.414 111 HB2 LYS 94 2HB LYS 94 3.586 1.378 9.709 112 HB3 LYS 94 1HB LYS 94 3.760 0.729 11.338 113 HG2 LYS 94 2HG LYS 94 2.258 -0.838 9.246 114 HG3 LYS 94 1HG LYS 94 4.021 -0.888 9.289 115 HD2 LYS 94 2HD LYS 94 3.927 -1.571 11.675 116 HD3 LYS 94 1HD LYS 94 2.169 -1.584 11.589 117 HE2 LYS 94 2HE LYS 94 2.252 -3.296 9.825 118 HE3 LYS 94 1HE LYS 94 4.014 -3.286 9.899 119 HZ1 LYS 94 3HZ LYS 94 3.964 -4.089 12.112 120 HZ2 LYS 94 1HZ LYS 94 2.921 -5.078 11.213 121 HZ3 LYS 94 2HZ LYS 94 2.284 -3.878 12.233 122 H ASP 95 H ASP 95 2.155 3.492 9.813 123 HA ASP 95 HA ASP 95 2.712 4.860 12.257 124 HB2 ASP 95 2HB ASP 95 1.902 6.197 9.678 125 HB3 ASP 95 1HB ASP 95 2.985 6.792 10.930 126 H GLN 96 H GLN 96 -0.140 3.764 10.913 127 HA GLN 96 HA GLN 96 -2.366 4.291 11.222 128 HB2 GLN 96 2HB GLN 96 -1.182 5.253 13.838 129 HB3 GLN 96 1HB GLN 96 -2.910 5.069 13.544 130 HG2 GLN 96 2HG GLN 96 -2.593 2.670 13.084 131 HG3 GLN 96 1HG GLN 96 -0.857 2.845 13.327 132 HE21 GLN 96 1HE2 GLN 96 -0.407 1.862 15.307 133 HE22 GLN 96 2HE2 GLN 96 -1.278 2.137 16.737 134 H ASN 97 H ASN 97 -0.792 6.304 9.816 135 HA ASN 97 HA ASN 97 -1.764 8.871 10.837 136 HB2 ASN 97 2HB ASN 97 -0.534 9.758 8.808 137 HB3 ASN 97 1HB ASN 97 0.463 8.938 10.010 138 HD21 ASN 97 1HD2 ASN 97 -1.613 6.911 8.070 139 HD22 ASN 97 2HD2 ASN 97 -0.392 6.296 7.064 140 H GLY 98 H GLY 98 -3.182 6.460 9.134 141 HA2 GLY 98 2HA GLY 98 -5.291 6.563 8.116 142 HA3 GLY 98 1HA GLY 98 -5.107 8.305 7.946 143 H TYR 99 H TYR 99 -2.252 7.317 6.864 144 HA TYR 99 HA TYR 99 -3.163 6.711 4.102 145 HB2 TYR 99 2HB TYR 99 -1.184 8.797 5.022 146 HB3 TYR 99 1HB TYR 99 -1.228 8.193 3.365 147 HD1 TYR 99 2HD TYR 99 -3.215 9.907 5.993 148 HD2 TYR 99 1HD TYR 99 -2.934 8.874 1.836 149 HE1 TYR 99 2HE TYR 99 -5.083 11.449 5.484 150 HE2 TYR 99 1HE TYR 99 -4.802 10.417 1.328 151 HH TYR 99 HH TYR 99 -6.701 11.902 3.845 152 H ILE 100 H ILE 100 -1.990 5.102 3.082 153 HA ILE 100 HA ILE 100 0.060 3.767 4.678 154 HB ILE 100 HB ILE 100 -0.763 3.053 1.870 155 HG12 ILE 100 2HG1 ILE 100 -2.054 2.144 4.470 156 HG13 ILE 100 1HG1 ILE 100 -2.788 3.220 3.284 157 HG21 ILE 100 1HG2 ILE 100 0.332 1.442 4.187 158 HG22 ILE 100 2HG2 ILE 100 1.267 1.993 2.797 159 HG23 ILE 100 3HG2 ILE 100 -0.028 0.818 2.577 160 HD11 ILE 100 3HD1 ILE 100 -1.967 0.338 2.845 161 HD12 ILE 100 1HD1 ILE 100 -2.521 1.414 1.564 162 HD13 ILE 100 2HD1 ILE 100 -3.612 0.972 2.878 163 H SER 101 H SER 101 2.186 4.082 4.465 164 HA SER 101 HA SER 101 3.144 5.948 2.389 165 HB2 SER 101 2HB SER 101 4.338 4.846 4.927 166 HB3 SER 101 1HB SER 101 5.324 5.699 3.742 167 HG SER 101 HG SER 101 4.034 6.831 5.596 168 H ALA 102 H ALA 102 5.060 5.457 1.110 169 HA ALA 102 HA ALA 102 4.960 3.028 -0.243 170 HB1 ALA 102 1HB ALA 102 7.366 4.825 0.142 171 HB2 ALA 102 2HB ALA 102 6.148 4.982 -1.124 172 HB3 ALA 102 3HB ALA 102 7.211 3.576 -1.093 173 H SER 103 H SER 103 6.999 3.942 2.539 174 HA SER 103 HA SER 103 8.513 1.581 2.681 175 HB2 SER 103 2HB SER 103 9.053 3.589 3.986 176 HB3 SER 103 1HB SER 103 7.589 3.373 4.940 177 HG SER 103 HG SER 103 8.424 1.416 5.686 178 H GLU 104 H GLU 104 5.287 2.347 4.052 179 HA GLU 104 HA GLU 104 5.051 -0.076 5.481 180 HB2 GLU 104 2HB GLU 104 3.003 1.895 4.455 181 HB3 GLU 104 1HB GLU 104 2.620 0.528 5.467 182 HG2 GLU 104 2HG GLU 104 4.177 1.367 7.194 183 HG3 GLU 104 1HG GLU 104 4.496 2.772 6.187 184 H LEU 105 H LEU 105 4.159 0.927 2.186 185 HA LEU 105 HA LEU 105 2.667 -1.347 1.482 186 HB2 LEU 105 2HB LEU 105 3.230 0.936 0.198 187 HB3 LEU 105 1HB LEU 105 4.459 -0.069 -0.556 188 HG LEU 105 HG LEU 105 2.492 -0.172 -1.944 189 HD11 LEU 105 1HD1 LEU 105 2.194 -2.512 -2.099 190 HD12 LEU 105 2HD1 LEU 105 2.375 -2.734 -0.362 191 HD13 LEU 105 3HD1 LEU 105 3.778 -2.329 -1.349 192 HD21 LEU 105 3HD2 LEU 105 0.315 -0.416 -1.201 193 HD22 LEU 105 1HD2 LEU 105 0.990 0.388 0.211 194 HD23 LEU 105 2HD2 LEU 105 0.769 -1.360 0.212 195 H ARG 106 H ARG 106 6.151 -0.725 1.395 196 HA ARG 106 HA ARG 106 6.892 -3.146 0.113 197 HB2 ARG 106 2HB ARG 106 8.448 -1.412 2.046 198 HB3 ARG 106 1HB ARG 106 9.136 -2.724 1.088 199 HG2 ARG 106 2HG ARG 106 8.488 -1.619 -0.968 200 HG3 ARG 106 1HG ARG 106 7.689 -0.333 -0.076 201 HD2 ARG 106 2HD ARG 106 9.851 0.466 -0.765 202 HD3 ARG 106 1HD ARG 106 9.895 0.205 0.978 203 HE ARG 106 HE ARG 106 10.764 -2.141 -0.361 204 HH11 ARG 106 1HH2 ARG 106 11.651 1.102 0.380 205 HH12 ARG 106 2HH2 ARG 106 13.357 0.803 0.338 206 HH21 ARG 106 1HH1 ARG 106 13.004 -2.564 -0.426 207 HH22 ARG 106 2HH1 ARG 106 14.126 -1.279 -0.120 208 H HIS 107 H HIS 107 6.486 -2.285 3.543 209 HA HIS 107 HA HIS 107 7.352 -4.690 4.679 210 HB2 HIS 107 2HB HIS 107 6.739 -2.627 5.955 211 HB3 HIS 107 1HB HIS 107 5.041 -2.997 5.647 212 HD1 HIS 107 1HD HIS 107 4.183 -3.829 7.852 213 HD2 HIS 107 2HD HIS 107 7.839 -5.564 6.853 214 HE1 HIS 107 1HE HIS 107 4.644 -5.590 9.612 215 HE2 HIS 107 2HE HIS 107 6.870 -6.659 9.016 216 H VAL 108 H VAL 108 4.351 -3.873 3.062 217 HA VAL 108 HA VAL 108 2.998 -6.296 3.825 218 HB VAL 108 HB VAL 108 2.435 -4.345 1.579 219 HG11 VAL 108 1HG1 VAL 108 0.155 -5.379 1.664 220 HG12 VAL 108 2HG1 VAL 108 0.789 -6.600 2.764 221 HG13 VAL 108 3HG1 VAL 108 1.398 -6.497 1.110 222 HG21 VAL 108 3HG2 VAL 108 1.408 -4.622 4.417 223 HG22 VAL 108 1HG2 VAL 108 0.600 -3.645 3.192 224 HG23 VAL 108 2HG2 VAL 108 2.235 -3.238 3.708 225 H MET 109 H MET 109 4.775 -5.197 0.931 226 HA MET 109 HA MET 109 4.297 -7.510 -0.615 227 HB2 MET 109 2HB MET 109 6.360 -5.326 -0.651 228 HB3 MET 109 1HB MET 109 6.569 -6.730 -1.698 229 HG2 MET 109 2HG MET 109 5.272 -4.677 -2.631 230 HG3 MET 109 1HG MET 109 4.603 -6.285 -2.902 231 HE1 MET 109 3HE MET 109 2.193 -6.352 -2.949 232 HE2 MET 109 1HE MET 109 2.496 -4.698 -3.498 233 HE3 MET 109 2HE MET 109 1.192 -5.028 -2.360 234 H ILE 110 H ILE 110 7.040 -6.655 1.515 235 HA ILE 110 HA ILE 110 8.440 -9.100 1.089 236 HB ILE 110 HB ILE 110 9.711 -8.459 3.112 237 HG12 ILE 110 2HG1 ILE 110 8.902 -5.997 3.864 238 HG13 ILE 110 1HG1 ILE 110 7.343 -6.683 3.429 239 HG21 ILE 110 1HG2 ILE 110 10.487 -6.243 2.270 240 HG22 ILE 110 2HG2 ILE 110 9.111 -6.225 1.167 241 HG23 ILE 110 3HG2 ILE 110 10.358 -7.459 1.000 242 HD11 ILE 110 3HD1 ILE 110 7.402 -7.464 5.575 243 HD12 ILE 110 1HD1 ILE 110 9.161 -7.392 5.657 244 HD13 ILE 110 2HD1 ILE 110 8.367 -8.747 4.871 245 H ASN 111 H ASN 111 6.121 -8.019 3.556 246 HA ASN 111 HA ASN 111 6.216 -10.301 5.195 247 HB2 ASN 111 2HB ASN 111 5.081 -8.333 5.964 248 HB3 ASN 111 1HB ASN 111 3.951 -8.387 4.618 249 HD21 ASN 111 1HD2 ASN 111 2.020 -8.723 5.901 250 HD22 ASN 111 2HD2 ASN 111 1.774 -10.124 6.827 251 H LEU 112 H LEU 112 4.529 -9.663 2.184 252 HA LEU 112 HA LEU 112 3.016 -12.125 2.307 253 HB2 LEU 112 2HB LEU 112 3.241 -9.822 0.452 254 HB3 LEU 112 1HB LEU 112 2.832 -11.353 -0.306 255 HG LEU 112 HG LEU 112 0.979 -11.609 1.392 256 HD11 LEU 112 1HD1 LEU 112 2.117 -9.924 2.979 257 HD12 LEU 112 2HD1 LEU 112 0.371 -9.811 2.803 258 HD13 LEU 112 3HD1 LEU 112 1.415 -8.679 1.953 259 HD21 LEU 112 3HD2 LEU 112 0.347 -10.855 -0.775 260 HD22 LEU 112 1HD2 LEU 112 1.036 -9.255 -0.500 261 HD23 LEU 112 2HD2 LEU 112 -0.430 -9.743 0.352 262 H GLY 113 H GLY 113 6.191 -11.532 1.807 263 HA2 GLY 113 2HA GLY 113 7.844 -13.077 1.190 264 HA3 GLY 113 1HA GLY 113 6.582 -14.123 0.548 265 H GLU 114 H GLU 114 6.547 -10.803 -0.408 266 HA GLU 114 HA GLU 114 7.666 -11.523 -3.070 267 HB2 GLU 114 2HB GLU 114 5.387 -9.658 -2.362 268 HB3 GLU 114 1HB GLU 114 6.117 -9.766 -3.963 269 HG2 GLU 114 2HG GLU 114 5.512 -12.142 -4.102 270 HG3 GLU 114 1HG GLU 114 4.826 -12.074 -2.479 271 H LYS 115 H LYS 115 9.238 -10.174 -3.876 272 HA LYS 115 HA LYS 115 9.782 -7.647 -2.412 273 HB2 LYS 115 2HB LYS 115 12.264 -8.239 -2.986 274 HB3 LYS 115 1HB LYS 115 11.503 -9.009 -1.594 275 HG2 LYS 115 2HG LYS 115 10.971 -10.989 -2.949 276 HG3 LYS 115 1HG LYS 115 11.683 -10.222 -4.368 277 HD2 LYS 115 2HD LYS 115 13.862 -10.124 -3.220 278 HD3 LYS 115 1HD LYS 115 13.149 -10.901 -1.806 279 HE2 LYS 115 2HE LYS 115 12.586 -12.878 -3.159 280 HE3 LYS 115 1HE LYS 115 13.277 -12.105 -4.587 281 HZ1 LYS 115 3HZ LYS 115 14.641 -13.121 -2.183 282 HZ2 LYS 115 1HZ LYS 115 15.357 -11.889 -3.102 283 HZ3 LYS 115 2HZ LYS 115 15.010 -13.389 -3.820 284 H LEU 116 H LEU 116 9.411 -6.044 -3.834 285 HA LEU 116 HA LEU 116 10.174 -6.463 -6.676 286 HB2 LEU 116 2HB LEU 116 8.291 -4.392 -5.518 287 HB3 LEU 116 1HB LEU 116 8.565 -4.735 -7.223 288 HG LEU 116 HG LEU 116 7.420 -6.700 -5.215 289 HD11 LEU 116 1HD1 LEU 116 5.299 -6.349 -6.314 290 HD12 LEU 116 2HD1 LEU 116 6.038 -5.306 -7.528 291 HD13 LEU 116 3HD1 LEU 116 5.916 -4.764 -5.853 292 HD21 LEU 116 3HD2 LEU 116 6.841 -7.847 -7.495 293 HD22 LEU 116 1HD2 LEU 116 8.474 -8.007 -6.856 294 HD23 LEU 116 2HD2 LEU 116 8.139 -6.843 -8.139 295 H THR 117 H THR 117 11.247 -4.680 -7.774 296 HA THR 117 HA THR 117 13.319 -3.526 -6.224 297 HB THR 117 HB THR 117 12.390 -2.539 -8.926 298 HG1 THR 117 1HG THR 117 13.337 -4.959 -8.161 299 HG21 THR 117 3HG2 THR 117 15.054 -2.607 -7.489 300 HG22 THR 117 1HG2 THR 117 14.111 -1.176 -7.904 301 HG23 THR 117 2HG2 THR 117 14.854 -2.142 -9.178 302 H ASP 118 H ASP 118 13.706 -1.149 -5.941 303 HA ASP 118 HA ASP 118 11.505 0.094 -4.675 304 HB2 ASP 118 2HB ASP 118 13.988 0.524 -4.279 305 HB3 ASP 118 1HB ASP 118 13.931 1.554 -5.708 306 H GLU 119 H GLU 119 12.822 0.368 -7.940 307 HA GLU 119 HA GLU 119 11.352 2.655 -8.715 308 HB2 GLU 119 2HB GLU 119 12.476 0.375 -10.342 309 HB3 GLU 119 1HB GLU 119 11.767 1.830 -11.041 310 HG2 GLU 119 2HG GLU 119 13.419 3.226 -9.904 311 HG3 GLU 119 1HG GLU 119 14.083 1.811 -9.099 312 H GLU 120 H GLU 120 10.539 -0.793 -8.633 313 HA GLU 120 HA GLU 120 8.128 -0.510 -10.141 314 HB2 GLU 120 2HB GLU 120 9.037 -2.665 -8.211 315 HB3 GLU 120 1HB GLU 120 7.625 -2.782 -9.262 316 HG2 GLU 120 2HG GLU 120 10.454 -2.326 -10.230 317 HG3 GLU 120 1HG GLU 120 9.645 -3.887 -10.223 318 H VAL 121 H VAL 121 8.894 -0.671 -6.667 319 HA VAL 121 HA VAL 121 6.217 -0.485 -5.767 320 HB VAL 121 HB VAL 121 8.813 0.317 -4.435 321 HG11 VAL 121 1HG1 VAL 121 7.358 0.098 -2.329 322 HG12 VAL 121 2HG1 VAL 121 5.968 0.217 -3.409 323 HG13 VAL 121 3HG1 VAL 121 7.119 1.550 -3.302 324 HG21 VAL 121 3HG2 VAL 121 8.450 -2.106 -5.022 325 HG22 VAL 121 1HG2 VAL 121 7.009 -2.085 -4.006 326 HG23 VAL 121 2HG2 VAL 121 8.598 -1.812 -3.291 327 H GLU 122 H GLU 122 8.721 2.034 -6.209 328 HA GLU 122 HA GLU 122 7.170 4.223 -5.430 329 HB2 GLU 122 2HB GLU 122 9.408 4.002 -7.450 330 HB3 GLU 122 1HB GLU 122 8.696 5.535 -6.960 331 HG2 GLU 122 2HG GLU 122 9.325 5.158 -4.647 332 HG3 GLU 122 1HG GLU 122 9.901 3.539 -5.031 333 H GLN 123 H GLN 123 7.337 2.508 -8.513 334 HA GLN 123 HA GLN 123 5.762 4.377 -9.981 335 HB2 GLN 123 2HB GLN 123 7.212 2.641 -11.032 336 HB3 GLN 123 1HB GLN 123 6.081 1.407 -10.481 337 HG2 GLN 123 2HG GLN 123 4.276 2.438 -11.778 338 HG3 GLN 123 1HG GLN 123 5.356 3.736 -12.285 339 HE21 GLN 123 1HE2 GLN 123 4.083 2.028 -14.203 340 HE22 GLN 123 2HE2 GLN 123 5.280 1.085 -14.950 341 H MET 124 H MET 124 4.957 1.514 -8.028 342 HA MET 124 HA MET 124 2.235 1.393 -8.743 343 HB2 MET 124 2HB MET 124 3.808 0.435 -6.353 344 HB3 MET 124 1HB MET 124 2.074 0.190 -6.490 345 HG2 MET 124 2HG MET 124 2.351 -1.018 -8.577 346 HG3 MET 124 1HG MET 124 4.080 -0.680 -8.572 347 HE1 MET 124 3HE MET 124 1.699 -1.885 -5.440 348 HE2 MET 124 1HE MET 124 1.655 -3.555 -6.019 349 HE3 MET 124 2HE MET 124 1.111 -2.244 -7.061 350 H ILE 125 H ILE 125 3.960 3.101 -6.142 351 HA ILE 125 HA ILE 125 1.660 4.114 -4.839 352 HB ILE 125 HB ILE 125 4.402 5.385 -5.046 353 HG12 ILE 125 2HG1 ILE 125 4.235 2.899 -4.267 354 HG13 ILE 125 1HG1 ILE 125 5.128 4.025 -3.257 355 HG21 ILE 125 1HG2 ILE 125 2.053 5.734 -3.185 356 HG22 ILE 125 2HG2 ILE 125 2.953 6.971 -4.058 357 HG23 ILE 125 3HG2 ILE 125 3.686 6.156 -2.675 358 HD11 ILE 125 3HD1 ILE 125 3.513 2.503 -2.018 359 HD12 ILE 125 1HD1 ILE 125 2.211 3.370 -2.812 360 HD13 ILE 125 2HD1 ILE 125 3.290 4.223 -1.717 361 H LYS 126 H LYS 126 3.766 5.505 -7.307 362 HA LYS 126 HA LYS 126 2.341 7.929 -7.631 363 HB2 LYS 126 2HB LYS 126 4.129 6.429 -9.512 364 HB3 LYS 126 1HB LYS 126 3.516 8.048 -9.831 365 HG2 LYS 126 2HG LYS 126 4.564 8.849 -7.743 366 HG3 LYS 126 1HG LYS 126 5.179 7.224 -7.435 367 HD2 LYS 126 2HD LYS 126 6.467 7.305 -9.538 368 HD3 LYS 126 1HD LYS 126 5.859 8.932 -9.847 369 HE2 LYS 126 2HE LYS 126 6.911 9.731 -7.771 370 HE3 LYS 126 1HE LYS 126 7.513 8.107 -7.442 371 HZ1 LYS 126 3HZ LYS 126 8.140 9.575 -9.937 372 HZ2 LYS 126 1HZ LYS 126 8.895 8.182 -9.330 373 HZ3 LYS 126 2HZ LYS 126 9.114 9.675 -8.548 374 H GLU 127 H GLU 127 2.150 4.837 -9.350 375 HA GLU 127 HA GLU 127 0.145 5.654 -11.192 376 HB2 GLU 127 2HB GLU 127 1.635 3.686 -11.467 377 HB3 GLU 127 1HB GLU 127 0.721 2.877 -10.209 378 HG2 GLU 127 2HG GLU 127 -1.336 3.073 -11.518 379 HG3 GLU 127 1HG GLU 127 -0.472 3.960 -12.774 380 H ALA 128 H ALA 128 0.066 4.160 -8.010 381 HA ALA 128 HA ALA 128 -2.782 3.699 -8.063 382 HB1 ALA 128 1HB ALA 128 -0.814 3.706 -5.771 383 HB2 ALA 128 2HB ALA 128 -1.400 2.301 -6.661 384 HB3 ALA 128 3HB ALA 128 -2.506 3.220 -5.640 385 H ASP 129 H ASP 129 -0.683 6.295 -7.005 386 HA ASP 129 HA ASP 129 -2.724 7.630 -5.477 387 HB2 ASP 129 2HB ASP 129 -0.015 8.404 -6.465 388 HB3 ASP 129 1HB ASP 129 -1.040 9.568 -5.659 389 H LEU 130 H LEU 130 -4.325 8.799 -6.243 390 HA LEU 130 HA LEU 130 -4.431 9.481 -9.047 391 HB2 LEU 130 2HB LEU 130 -6.431 8.715 -7.726 392 HB3 LEU 130 1HB LEU 130 -6.384 10.251 -6.872 393 HG LEU 130 HG LEU 130 -6.301 10.534 -9.825 394 HD11 LEU 130 1HD1 LEU 130 -8.673 10.032 -10.154 395 HD12 LEU 130 2HD1 LEU 130 -8.816 9.499 -8.478 396 HD13 LEU 130 3HD1 LEU 130 -7.823 8.586 -9.613 397 HD21 LEU 130 3HD2 LEU 130 -8.133 11.706 -7.710 398 HD22 LEU 130 1HD2 LEU 130 -7.864 12.330 -9.338 399 HD23 LEU 130 2HD2 LEU 130 -6.566 12.386 -8.145 400 H ASP 131 H ASP 131 -3.573 11.101 -6.104 401 HA ASP 131 HA ASP 131 -3.579 13.705 -7.523 402 HB2 ASP 131 2HB ASP 131 -3.533 14.720 -5.281 403 HB3 ASP 131 1HB ASP 131 -4.950 13.700 -5.513 404 H GLY 132 H GLY 132 -1.463 11.408 -7.385 405 HA2 GLY 132 2HA GLY 132 0.822 11.224 -7.009 406 HA3 GLY 132 1HA GLY 132 0.816 12.810 -7.772 407 H ASP 133 H ASP 133 -0.618 12.082 -4.599 408 HA ASP 133 HA ASP 133 0.892 14.224 -3.395 409 HB2 ASP 133 2HB ASP 133 -0.341 13.701 -1.380 410 HB3 ASP 133 1HB ASP 133 -1.456 13.647 -2.745 411 H GLY 134 H GLY 134 1.356 10.863 -3.864 412 HA2 GLY 134 2HA GLY 134 3.443 9.790 -3.504 413 HA3 GLY 134 1HA GLY 134 3.800 10.958 -2.235 414 H GLN 135 H GLN 135 0.767 10.372 -1.541 415 HA GLN 135 HA GLN 135 1.376 8.056 0.200 416 HB2 GLN 135 2HB GLN 135 0.142 10.700 0.616 417 HB3 GLN 135 1HB GLN 135 -0.767 9.373 1.308 418 HG2 GLN 135 2HG GLN 135 1.097 8.643 2.612 419 HG3 GLN 135 1HG GLN 135 2.195 9.720 1.748 420 HE21 GLN 135 1HE2 GLN 135 2.299 10.107 4.425 421 HE22 GLN 135 2HE2 GLN 135 1.416 11.477 4.902 422 H VAL 136 H VAL 136 0.133 6.283 0.005 423 HA VAL 136 HA VAL 136 -1.970 6.263 -1.993 424 HB VAL 136 HB VAL 136 -1.009 4.120 -0.091 425 HG11 VAL 136 1HG1 VAL 136 -2.212 2.579 -1.639 426 HG12 VAL 136 2HG1 VAL 136 -2.847 3.984 -2.495 427 HG13 VAL 136 3HG1 VAL 136 -3.312 3.689 -0.822 428 HG21 VAL 136 3HG2 VAL 136 -0.027 3.223 -2.259 429 HG22 VAL 136 1HG2 VAL 136 0.740 4.672 -1.608 430 HG23 VAL 136 2HG2 VAL 136 -0.382 4.800 -2.962 431 H ASN 137 H ASN 137 -4.072 6.833 -1.525 432 HA ASN 137 HA ASN 137 -4.877 6.941 1.306 433 HB2 ASN 137 2HB ASN 137 -5.189 8.882 -0.386 434 HB3 ASN 137 1HB ASN 137 -6.515 7.921 -1.031 435 HD21 ASN 137 1HD2 ASN 137 -8.255 9.231 -0.269 436 HD22 ASN 137 2HD2 ASN 137 -8.571 9.474 1.381 437 H TYR 138 H TYR 138 -7.141 6.209 1.818 438 HA TYR 138 HA TYR 138 -7.507 3.535 1.420 439 HB2 TYR 138 2HB TYR 138 -8.789 4.879 3.039 440 HB3 TYR 138 1HB TYR 138 -9.715 5.573 1.709 441 HD1 TYR 138 1HD TYR 138 -8.825 2.327 3.331 442 HD2 TYR 138 2HD TYR 138 -11.584 4.450 0.818 443 HE1 TYR 138 1HE TYR 138 -10.360 0.385 3.372 444 HE2 TYR 138 2HE TYR 138 -13.120 2.507 0.860 445 HH TYR 138 HH TYR 138 -13.596 0.568 2.188 446 H GLU 139 H GLU 139 -9.085 6.117 -0.526 447 HA GLU 139 HA GLU 139 -10.473 4.394 -2.257 448 HB2 GLU 139 2HB GLU 139 -10.879 6.833 -2.069 449 HB3 GLU 139 1HB GLU 139 -9.346 7.129 -2.886 450 HG2 GLU 139 2HG GLU 139 -10.138 5.939 -4.871 451 HG3 GLU 139 1HG GLU 139 -11.652 5.548 -4.056 452 H GLU 140 H GLU 140 -7.219 5.751 -2.565 453 HA GLU 140 HA GLU 140 -6.750 4.654 -5.125 454 HB2 GLU 140 2HB GLU 140 -4.792 5.470 -2.970 455 HB3 GLU 140 1HB GLU 140 -4.344 5.063 -4.606 456 HG2 GLU 140 2HG GLU 140 -5.313 6.961 -5.511 457 HG3 GLU 140 1HG GLU 140 -6.475 7.101 -4.208 458 H PHE 141 H PHE 141 -6.109 3.448 -1.844 459 HA PHE 141 HA PHE 141 -4.733 1.106 -2.634 460 HB2 PHE 141 2HB PHE 141 -4.842 2.017 -0.292 461 HB3 PHE 141 1HB PHE 141 -6.505 1.447 -0.205 462 HD1 PHE 141 2HD PHE 141 -3.128 0.155 -1.245 463 HD2 PHE 141 1HD PHE 141 -6.848 -0.648 0.756 464 HE1 PHE 141 2HE PHE 141 -2.316 -2.105 -0.642 465 HE2 PHE 141 1HE PHE 141 -6.033 -2.911 1.354 466 HZ PHE 141 HZ PHE 141 -3.766 -3.639 0.655 467 H VAL 142 H VAL 142 -8.157 1.668 -1.832 468 HA VAL 142 HA VAL 142 -9.073 -0.920 -2.400 469 HB VAL 142 HB VAL 142 -10.435 1.773 -2.585 470 HG11 VAL 142 1HG1 VAL 142 -11.509 -1.000 -3.082 471 HG12 VAL 142 2HG1 VAL 142 -11.736 0.462 -4.044 472 HG13 VAL 142 3HG1 VAL 142 -12.557 0.291 -2.493 473 HG21 VAL 142 3HG2 VAL 142 -9.875 1.177 -0.319 474 HG22 VAL 142 1HG2 VAL 142 -10.438 -0.477 -0.556 475 HG23 VAL 142 2HG2 VAL 142 -11.596 0.849 -0.522 476 H LYS 143 H LYS 143 -8.785 1.937 -4.477 477 HA LYS 143 HA LYS 143 -9.825 0.796 -6.835 478 HB2 LYS 143 2HB LYS 143 -9.419 3.219 -6.417 479 HB3 LYS 143 1HB LYS 143 -7.698 2.923 -6.549 480 HG2 LYS 143 2HG LYS 143 -8.011 2.067 -8.849 481 HG3 LYS 143 1HG LYS 143 -9.744 2.373 -8.722 482 HD2 LYS 143 2HD LYS 143 -9.291 4.778 -8.366 483 HD3 LYS 143 1HD LYS 143 -7.562 4.468 -8.518 484 HE2 LYS 143 2HE LYS 143 -8.406 5.259 -10.660 485 HE3 LYS 143 1HE LYS 143 -7.971 3.556 -10.810 486 HZ1 LYS 143 3HZ LYS 143 -10.302 4.519 -11.596 487 HZ2 LYS 143 1HZ LYS 143 -10.704 4.139 -9.992 488 HZ3 LYS 143 2HZ LYS 143 -10.111 2.929 -11.027 489 H MET 144 H MET 144 -6.469 1.140 -5.682 490 HA MET 144 HA MET 144 -5.250 -0.247 -7.836 491 HB2 MET 144 2HB MET 144 -4.110 1.165 -6.028 492 HB3 MET 144 1HB MET 144 -4.236 -0.226 -4.989 493 HG2 MET 144 2HG MET 144 -2.962 -0.490 -7.707 494 HG3 MET 144 1HG MET 144 -2.029 0.090 -6.331 495 HE1 MET 144 3HE MET 144 -1.063 -1.151 -4.619 496 HE2 MET 144 1HE MET 144 -1.528 -2.747 -4.016 497 HE3 MET 144 2HE MET 144 -2.607 -1.372 -3.800 498 H MET 145 H MET 145 -6.513 -1.256 -4.712 499 HA MET 145 HA MET 145 -5.661 -3.954 -4.964 500 HB2 MET 145 2HB MET 145 -6.178 -2.977 -2.767 501 HB3 MET 145 1HB MET 145 -7.866 -2.798 -3.241 502 HG2 MET 145 2HG MET 145 -8.128 -5.204 -3.439 503 HG3 MET 145 1HG MET 145 -6.405 -5.460 -3.164 504 HE1 MET 145 3HE MET 145 -5.581 -6.236 -0.958 505 HE2 MET 145 1HE MET 145 -5.780 -5.190 0.454 506 HE3 MET 145 2HE MET 145 -5.175 -4.526 -1.062 507 H MET 146 H MET 146 -8.670 -2.229 -5.694 508 HA MET 146 HA MET 146 -10.183 -4.519 -6.405 509 HB2 MET 146 2HB MET 146 -10.409 -1.576 -6.988 510 HB3 MET 146 1HB MET 146 -11.491 -2.726 -7.775 511 HG2 MET 146 2HG MET 146 -11.091 -2.620 -4.775 512 HG3 MET 146 1HG MET 146 -12.372 -1.742 -5.609 513 HE1 MET 146 3HE MET 146 -12.783 -3.704 -3.300 514 HE2 MET 146 1HE MET 146 -14.129 -4.732 -3.810 515 HE3 MET 146 2HE MET 146 -14.180 -2.995 -4.104 516 H THR 147 H THR 147 -8.055 -2.352 -8.218 517 HA THR 147 HA THR 147 -8.611 -3.215 -10.807 518 HB THR 147 HB THR 147 -5.884 -2.447 -9.719 519 HG1 THR 147 1HG THR 147 -7.517 -0.926 -9.225 520 HG21 THR 147 3HG2 THR 147 -5.717 -1.508 -12.104 521 HG22 THR 147 1HG2 THR 147 -7.123 -2.505 -12.472 522 HG23 THR 147 2HG2 THR 147 -5.624 -3.260 -11.932 523 H VAL 148 H VAL 148 -5.667 -4.212 -9.071 524 HA VAL 148 HA VAL 148 -5.341 -6.566 -10.636 525 HB VAL 148 HB VAL 148 -4.096 -5.683 -8.027 526 HG11 VAL 148 1HG1 VAL 148 -2.357 -7.450 -8.666 527 HG12 VAL 148 2HG1 VAL 148 -3.564 -8.094 -9.779 528 HG13 VAL 148 3HG1 VAL 148 -3.889 -8.064 -8.045 529 HG21 VAL 148 3HG2 VAL 148 -2.122 -5.321 -9.550 530 HG22 VAL 148 1HG2 VAL 148 -3.492 -4.270 -9.906 531 HG23 VAL 148 2HG2 VAL 148 -3.174 -5.678 -10.919 532 H ARG 149 H ARG 149 -5.831 -6.446 -7.102 533 HA ARG 149 HA ARG 149 -8.103 -8.164 -7.157 534 HB2 ARG 149 2HB ARG 149 -6.359 -9.807 -7.815 535 HB3 ARG 149 1HB ARG 149 -5.490 -9.448 -6.323 536 HG2 ARG 149 2HG ARG 149 -7.391 -10.214 -4.986 537 HG3 ARG 149 1HG ARG 149 -8.338 -10.487 -6.448 538 HD2 ARG 149 2HD ARG 149 -7.404 -12.604 -5.669 539 HD3 ARG 149 1HD ARG 149 -6.661 -12.153 -7.200 540 HE ARG 149 HE ARG 149 -5.162 -11.223 -4.925 541 HH11 ARG 149 1HH2 ARG 149 -5.877 -13.886 -6.993 542 HH12 ARG 149 2HH2 ARG 149 -4.357 -14.678 -6.745 543 HH21 ARG 149 1HH1 ARG 149 -3.152 -12.246 -4.583 544 HH22 ARG 149 2HH1 ARG 149 -2.811 -13.747 -5.376 Start of MODEL 17 1 H1 ASP 80 1HT ASP 80 -18.908 -7.026 5.329 2 H2 ASP 80 2HT ASP 80 -19.115 -8.416 4.373 3 H3 ASP 80 3HT ASP 80 -18.325 -7.053 3.738 4 HA ASP 80 HA ASP 80 -17.098 -7.987 6.143 5 HB2 ASP 80 2HB ASP 80 -17.417 -9.835 3.775 6 HB3 ASP 80 1HB ASP 80 -16.070 -9.981 4.901 7 H ALA 81 H ALA 81 -16.929 -7.614 2.605 8 HA ALA 81 HA ALA 81 -14.184 -7.193 2.363 9 HB1 ALA 81 1HB ALA 81 -16.300 -5.706 0.788 10 HB2 ALA 81 2HB ALA 81 -15.841 -7.378 0.465 11 HB3 ALA 81 3HB ALA 81 -14.655 -6.086 0.278 12 H GLU 82 H GLU 82 -16.759 -4.792 2.957 13 HA GLU 82 HA GLU 82 -15.098 -2.547 3.085 14 HB2 GLU 82 2HB GLU 82 -17.768 -2.890 3.218 15 HB3 GLU 82 1HB GLU 82 -17.454 -2.659 4.938 16 HG2 GLU 82 2HG GLU 82 -16.703 -0.784 2.681 17 HG3 GLU 82 1HG GLU 82 -17.896 -0.494 3.945 18 H GLU 83 H GLU 83 -15.890 -4.960 5.502 19 HA GLU 83 HA GLU 83 -14.600 -3.566 7.677 20 HB2 GLU 83 2HB GLU 83 -15.460 -6.443 7.351 21 HB3 GLU 83 1HB GLU 83 -14.710 -5.807 8.816 22 HG2 GLU 83 2HG GLU 83 -16.984 -5.565 9.283 23 HG3 GLU 83 1HG GLU 83 -16.581 -3.968 8.689 24 H GLU 84 H GLU 84 -13.742 -6.627 6.056 25 HA GLU 84 HA GLU 84 -11.179 -6.950 6.908 26 HB2 GLU 84 2HB GLU 84 -12.343 -8.496 5.351 27 HB3 GLU 84 1HB GLU 84 -12.075 -7.346 4.041 28 HG2 GLU 84 2HG GLU 84 -9.654 -7.532 4.326 29 HG3 GLU 84 1HG GLU 84 -9.880 -8.603 5.704 30 H LEU 85 H LEU 85 -12.176 -4.865 4.164 31 HA LEU 85 HA LEU 85 -9.587 -4.001 3.487 32 HB2 LEU 85 2HB LEU 85 -12.299 -2.716 3.154 33 HB3 LEU 85 1HB LEU 85 -10.826 -2.004 2.506 34 HG LEU 85 HG LEU 85 -11.690 -4.846 1.896 35 HD11 LEU 85 1HD1 LEU 85 -13.448 -3.466 1.038 36 HD12 LEU 85 2HD1 LEU 85 -12.404 -3.844 -0.332 37 HD13 LEU 85 3HD1 LEU 85 -12.302 -2.264 0.444 38 HD21 LEU 85 3HD2 LEU 85 -10.202 -4.194 -0.200 39 HD22 LEU 85 1HD2 LEU 85 -9.434 -4.702 1.300 40 HD23 LEU 85 2HD2 LEU 85 -9.534 -2.990 0.897 41 H LYS 86 H LYS 86 -11.990 -2.642 5.740 42 HA LYS 86 HA LYS 86 -10.447 -0.375 6.442 43 HB2 LYS 86 2HB LYS 86 -12.663 -1.860 7.854 44 HB3 LYS 86 1HB LYS 86 -11.897 -0.439 8.559 45 HG2 LYS 86 2HG LYS 86 -12.991 -0.368 5.742 46 HG3 LYS 86 1HG LYS 86 -14.048 -0.103 7.127 47 HD2 LYS 86 2HD LYS 86 -12.388 1.696 7.882 48 HD3 LYS 86 1HD LYS 86 -11.645 1.544 6.292 49 HE2 LYS 86 2HE LYS 86 -14.584 2.130 6.721 50 HE3 LYS 86 1HE LYS 86 -13.363 3.369 6.431 51 HZ1 LYS 86 3HZ LYS 86 -13.142 1.273 4.535 52 HZ2 LYS 86 1HZ LYS 86 -13.395 2.929 4.272 53 HZ3 LYS 86 2HZ LYS 86 -14.722 1.900 4.537 54 H GLU 87 H GLU 87 -10.689 -3.618 7.880 55 HA GLU 87 HA GLU 87 -8.880 -3.068 10.015 56 HB2 GLU 87 2HB GLU 87 -10.490 -4.961 10.032 57 HB3 GLU 87 1HB GLU 87 -9.565 -5.734 8.744 58 HG2 GLU 87 2HG GLU 87 -7.582 -5.813 10.182 59 HG3 GLU 87 1HG GLU 87 -8.458 -4.976 11.464 60 H ALA 88 H ALA 88 -8.484 -4.746 6.892 61 HA ALA 88 HA ALA 88 -5.761 -5.322 7.093 62 HB1 ALA 88 1HB ALA 88 -7.041 -4.484 4.495 63 HB2 ALA 88 2HB ALA 88 -7.445 -6.019 5.267 64 HB3 ALA 88 3HB ALA 88 -5.787 -5.693 4.766 65 H PHE 89 H PHE 89 -7.344 -2.424 5.734 66 HA PHE 89 HA PHE 89 -5.030 -1.047 5.003 67 HB2 PHE 89 2HB PHE 89 -7.234 -0.278 4.315 68 HB3 PHE 89 1HB PHE 89 -7.676 0.032 5.994 69 HD1 PHE 89 1HD PHE 89 -6.448 1.792 7.299 70 HD2 PHE 89 2HD PHE 89 -5.914 1.295 3.069 71 HE1 PHE 89 1HE PHE 89 -5.461 4.060 7.156 72 HE2 PHE 89 2HE PHE 89 -4.946 3.564 2.922 73 HZ PHE 89 HZ PHE 89 -4.700 4.940 4.967 74 H LYS 90 H LYS 90 -6.772 -1.162 8.088 75 HA LYS 90 HA LYS 90 -5.250 0.772 9.427 76 HB2 LYS 90 2HB LYS 90 -7.448 -0.329 10.167 77 HB3 LYS 90 1HB LYS 90 -6.452 -1.657 10.748 78 HG2 LYS 90 2HG LYS 90 -6.723 -0.250 12.638 79 HG3 LYS 90 1HG LYS 90 -5.106 0.107 12.039 80 HD2 LYS 90 2HD LYS 90 -5.771 2.182 11.114 81 HD3 LYS 90 1HD LYS 90 -7.479 1.748 11.136 82 HE2 LYS 90 2HE LYS 90 -5.944 1.907 13.723 83 HE3 LYS 90 1HE LYS 90 -6.546 3.380 12.961 84 HZ1 LYS 90 3HZ LYS 90 -8.052 2.183 14.614 85 HZ2 LYS 90 1HZ LYS 90 -8.310 1.049 13.379 86 HZ3 LYS 90 2HZ LYS 90 -8.736 2.677 13.139 87 H VAL 91 H VAL 91 -4.653 -2.624 8.781 88 HA VAL 91 HA VAL 91 -2.516 -2.926 10.659 89 HB VAL 91 HB VAL 91 -3.261 -4.493 8.182 90 HG11 VAL 91 1HG1 VAL 91 -0.926 -4.888 8.465 91 HG12 VAL 91 2HG1 VAL 91 -1.720 -6.235 9.279 92 HG13 VAL 91 3HG1 VAL 91 -1.065 -4.897 10.223 93 HG21 VAL 91 3HG2 VAL 91 -4.061 -6.125 9.839 94 HG22 VAL 91 1HG2 VAL 91 -4.840 -4.565 10.103 95 HG23 VAL 91 2HG2 VAL 91 -3.518 -5.078 11.150 96 H PHE 92 H PHE 92 -2.633 -2.204 7.180 97 HA PHE 92 HA PHE 92 0.197 -2.039 6.836 98 HB2 PHE 92 2HB PHE 92 -1.768 -0.493 5.152 99 HB3 PHE 92 1HB PHE 92 -0.231 -1.210 4.675 100 HD1 PHE 92 1HD PHE 92 -0.582 -3.954 5.984 101 HD2 PHE 92 2HD PHE 92 -3.237 -1.536 3.627 102 HE1 PHE 92 1HE PHE 92 -1.779 -5.983 5.254 103 HE2 PHE 92 2HE PHE 92 -4.440 -3.569 2.904 104 HZ PHE 92 HZ PHE 92 -3.709 -5.798 3.710 105 H ASP 93 H ASP 93 -2.251 0.262 7.817 106 HA ASP 93 HA ASP 93 -0.563 2.564 7.569 107 HB2 ASP 93 2HB ASP 93 -3.108 2.541 7.599 108 HB3 ASP 93 1HB ASP 93 -2.991 2.299 9.340 109 H LYS 94 H LYS 94 1.133 1.029 8.761 110 HA LYS 94 HA LYS 94 1.091 0.606 11.501 111 HB2 LYS 94 2HB LYS 94 3.424 1.368 9.726 112 HB3 LYS 94 1HB LYS 94 3.597 0.843 11.401 113 HG2 LYS 94 2HG LYS 94 2.549 -1.298 10.884 114 HG3 LYS 94 1HG LYS 94 2.221 -0.771 9.236 115 HD2 LYS 94 2HD LYS 94 4.186 -2.089 9.055 116 HD3 LYS 94 1HD LYS 94 4.758 -0.424 9.006 117 HE2 LYS 94 2HE LYS 94 5.476 -0.510 11.294 118 HE3 LYS 94 1HE LYS 94 4.638 -2.037 11.569 119 HZ1 LYS 94 3HZ LYS 94 6.487 -2.149 9.380 120 HZ2 LYS 94 1HZ LYS 94 6.324 -3.185 10.713 121 HZ3 LYS 94 2HZ LYS 94 7.244 -1.763 10.851 122 H ASP 95 H ASP 95 2.125 3.539 9.757 123 HA ASP 95 HA ASP 95 2.779 5.020 12.090 124 HB2 ASP 95 2HB ASP 95 1.878 6.224 9.473 125 HB3 ASP 95 1HB ASP 95 3.006 6.887 10.650 126 H GLN 96 H GLN 96 -0.159 3.994 10.836 127 HA GLN 96 HA GLN 96 -2.354 4.546 11.244 128 HB2 GLN 96 2HB GLN 96 -1.029 5.611 13.743 129 HB3 GLN 96 1HB GLN 96 -2.776 5.518 13.531 130 HG2 GLN 96 2HG GLN 96 -2.632 3.092 13.200 131 HG3 GLN 96 1HG GLN 96 -0.876 3.162 13.345 132 HE21 GLN 96 1HE2 GLN 96 -0.447 2.192 15.354 133 HE22 GLN 96 2HE2 GLN 96 -1.195 2.644 16.810 134 H ASN 97 H ASN 97 -0.626 6.498 9.795 135 HA ASN 97 HA ASN 97 -1.618 9.111 10.614 136 HB2 ASN 97 2HB ASN 97 -0.261 9.972 8.789 137 HB3 ASN 97 1HB ASN 97 0.684 8.840 9.755 138 HD21 ASN 97 1HD2 ASN 97 1.236 9.472 6.952 139 HD22 ASN 97 2HD2 ASN 97 1.026 8.036 6.071 140 H GLY 98 H GLY 98 -3.109 6.654 9.111 141 HA2 GLY 98 2HA GLY 98 -5.135 6.652 7.986 142 HA3 GLY 98 1HA GLY 98 -5.020 8.402 7.836 143 H TYR 99 H TYR 99 -2.120 7.381 6.786 144 HA TYR 99 HA TYR 99 -2.989 6.896 3.987 145 HB2 TYR 99 2HB TYR 99 -0.995 8.904 5.044 146 HB3 TYR 99 1HB TYR 99 -0.944 8.333 3.375 147 HD1 TYR 99 1HD TYR 99 -3.244 9.831 5.916 148 HD2 TYR 99 2HD TYR 99 -2.355 9.280 1.754 149 HE1 TYR 99 1HE TYR 99 -5.063 11.399 5.321 150 HE2 TYR 99 2HE TYR 99 -4.175 10.847 1.158 151 HH TYR 99 HH TYR 99 -6.510 11.905 3.422 152 H ILE 100 H ILE 100 -1.850 5.298 2.943 153 HA ILE 100 HA ILE 100 0.156 3.844 4.497 154 HB ILE 100 HB ILE 100 -0.818 3.241 1.693 155 HG12 ILE 100 2HG1 ILE 100 -1.857 2.202 4.363 156 HG13 ILE 100 1HG1 ILE 100 -2.703 3.312 3.295 157 HG21 ILE 100 1HG2 ILE 100 0.008 0.987 2.229 158 HG22 ILE 100 2HG2 ILE 100 0.476 1.528 3.840 159 HG23 ILE 100 3HG2 ILE 100 1.301 2.170 2.421 160 HD11 ILE 100 3HD1 ILE 100 -2.644 1.591 1.497 161 HD12 ILE 100 1HD1 ILE 100 -3.521 1.036 2.924 162 HD13 ILE 100 2HD1 ILE 100 -1.876 0.476 2.627 163 H SER 101 H SER 101 2.291 4.056 4.244 164 HA SER 101 HA SER 101 3.262 5.890 2.134 165 HB2 SER 101 2HB SER 101 3.933 6.470 4.396 166 HB3 SER 101 1HB SER 101 4.579 4.853 4.660 167 HG SER 101 HG SER 101 5.508 6.906 2.956 168 H ALA 102 H ALA 102 5.244 5.369 1.000 169 HA ALA 102 HA ALA 102 5.175 2.927 -0.312 170 HB1 ALA 102 1HB ALA 102 7.349 3.448 -1.198 171 HB2 ALA 102 2HB ALA 102 7.693 4.538 0.145 172 HB3 ALA 102 3HB ALA 102 6.462 4.966 -1.043 173 H SER 103 H SER 103 7.041 3.868 2.554 174 HA SER 103 HA SER 103 8.569 1.557 2.838 175 HB2 SER 103 2HB SER 103 7.419 3.363 4.969 176 HB3 SER 103 1HB SER 103 8.650 2.137 5.259 177 HG SER 103 HG SER 103 9.485 4.274 4.843 178 H GLU 104 H GLU 104 5.248 2.227 3.918 179 HA GLU 104 HA GLU 104 4.924 -0.249 5.268 180 HB2 GLU 104 2HB GLU 104 3.008 1.830 4.211 181 HB3 GLU 104 1HB GLU 104 2.499 0.432 5.126 182 HG2 GLU 104 2HG GLU 104 4.085 1.118 6.946 183 HG3 GLU 104 1HG GLU 104 4.378 2.597 6.046 184 H LEU 105 H LEU 105 4.217 0.924 1.995 185 HA LEU 105 HA LEU 105 2.672 -1.243 1.103 186 HB2 LEU 105 2HB LEU 105 3.298 1.078 -0.007 187 HB3 LEU 105 1HB LEU 105 4.588 0.150 -0.753 188 HG LEU 105 HG LEU 105 2.702 0.152 -2.263 189 HD11 LEU 105 1HD1 LEU 105 2.531 -2.556 -0.961 190 HD12 LEU 105 2HD1 LEU 105 3.999 -2.038 -1.793 191 HD13 LEU 105 3HD1 LEU 105 2.477 -2.149 -2.673 192 HD21 LEU 105 3HD2 LEU 105 0.496 -0.168 -1.682 193 HD22 LEU 105 1HD2 LEU 105 1.072 0.473 -0.146 194 HD23 LEU 105 2HD2 LEU 105 0.873 -1.266 -0.357 195 H ARG 106 H ARG 106 6.190 -0.731 1.012 196 HA ARG 106 HA ARG 106 6.726 -3.216 -0.299 197 HB2 ARG 106 2HB ARG 106 9.078 -2.812 0.329 198 HB3 ARG 106 1HB ARG 106 8.344 -1.390 -0.410 199 HG2 ARG 106 2HG ARG 106 7.931 -0.440 1.814 200 HG3 ARG 106 1HG ARG 106 8.670 -1.849 2.568 201 HD2 ARG 106 2HD ARG 106 10.058 0.034 0.649 202 HD3 ARG 106 1HD ARG 106 10.255 0.042 2.398 203 HE ARG 106 HE ARG 106 11.392 -1.872 0.541 204 HH11 ARG 106 1HH2 ARG 106 10.434 -1.168 3.791 205 HH12 ARG 106 2HH2 ARG 106 11.529 -2.305 4.505 206 HH21 ARG 106 1HH1 ARG 106 12.826 -3.361 1.467 207 HH22 ARG 106 2HH1 ARG 106 12.885 -3.547 3.188 208 H HIS 107 H HIS 107 6.632 -2.157 3.076 209 HA HIS 107 HA HIS 107 7.639 -4.478 4.281 210 HB2 HIS 107 2HB HIS 107 7.146 -2.336 5.474 211 HB3 HIS 107 1HB HIS 107 5.426 -2.709 5.355 212 HD1 HIS 107 1HD HIS 107 4.682 -3.541 7.588 213 HD2 HIS 107 2HD HIS 107 8.423 -5.062 6.553 214 HE1 HIS 107 1HE HIS 107 5.339 -5.147 9.434 215 HE2 HIS 107 2HE HIS 107 7.617 -6.083 8.817 216 H VAL 108 H VAL 108 4.343 -3.663 3.249 217 HA VAL 108 HA VAL 108 3.140 -6.051 4.202 218 HB VAL 108 HB VAL 108 2.329 -4.104 2.033 219 HG11 VAL 108 1HG1 VAL 108 1.255 -6.151 1.431 220 HG12 VAL 108 2HG1 VAL 108 0.051 -5.252 2.356 221 HG13 VAL 108 3HG1 VAL 108 0.947 -6.569 3.117 222 HG21 VAL 108 3HG2 VAL 108 2.310 -3.241 4.342 223 HG22 VAL 108 1HG2 VAL 108 1.348 -4.622 4.857 224 HG23 VAL 108 2HG2 VAL 108 0.664 -3.435 3.746 225 H MET 109 H MET 109 4.519 -5.129 1.053 226 HA MET 109 HA MET 109 3.845 -7.489 -0.320 227 HB2 MET 109 2HB MET 109 6.041 -5.450 -0.676 228 HB3 MET 109 1HB MET 109 5.937 -6.864 -1.724 229 HG2 MET 109 2HG MET 109 3.624 -4.963 -1.269 230 HG3 MET 109 1HG MET 109 4.754 -4.815 -2.614 231 HE1 MET 109 3HE MET 109 1.217 -6.234 -3.801 232 HE2 MET 109 1HE MET 109 2.067 -4.773 -3.281 233 HE3 MET 109 2HE MET 109 1.282 -5.811 -2.093 234 H ILE 110 H ILE 110 6.695 -6.675 1.648 235 HA ILE 110 HA ILE 110 8.096 -9.096 1.155 236 HB ILE 110 HB ILE 110 8.224 -7.147 3.466 237 HG12 ILE 110 2HG1 ILE 110 10.152 -7.635 1.181 238 HG13 ILE 110 1HG1 ILE 110 8.889 -6.406 1.128 239 HG21 ILE 110 1HG2 ILE 110 9.868 -9.599 2.805 240 HG22 ILE 110 2HG2 ILE 110 9.070 -9.209 4.327 241 HG23 ILE 110 3HG2 ILE 110 10.491 -8.298 3.819 242 HD11 ILE 110 3HD1 ILE 110 11.109 -6.582 3.185 243 HD12 ILE 110 1HD1 ILE 110 9.825 -5.374 3.177 244 HD13 ILE 110 2HD1 ILE 110 11.008 -5.411 1.870 245 H ASN 111 H ASN 111 5.830 -8.091 3.688 246 HA ASN 111 HA ASN 111 5.952 -10.412 5.267 247 HB2 ASN 111 2HB ASN 111 4.872 -8.440 6.118 248 HB3 ASN 111 1HB ASN 111 3.695 -8.449 4.813 249 HD21 ASN 111 1HD2 ASN 111 1.872 -8.698 6.312 250 HD22 ASN 111 2HD2 ASN 111 1.606 -10.157 7.138 251 H LEU 112 H LEU 112 4.197 -9.675 2.322 252 HA LEU 112 HA LEU 112 2.641 -12.121 2.441 253 HB2 LEU 112 2HB LEU 112 2.791 -9.741 0.665 254 HB3 LEU 112 1HB LEU 112 2.249 -11.228 -0.088 255 HG LEU 112 HG LEU 112 0.409 -9.748 0.867 256 HD11 LEU 112 1HD1 LEU 112 0.373 -12.385 2.321 257 HD12 LEU 112 2HD1 LEU 112 0.377 -12.371 0.558 258 HD13 LEU 112 3HD1 LEU 112 -0.917 -11.572 1.444 259 HD21 LEU 112 3HD2 LEU 112 0.190 -9.382 3.146 260 HD22 LEU 112 1HD2 LEU 112 1.942 -9.359 3.000 261 HD23 LEU 112 2HD2 LEU 112 1.130 -10.806 3.587 262 H GLY 113 H GLY 113 5.772 -11.503 1.760 263 HA2 GLY 113 2HA GLY 113 7.378 -13.046 1.015 264 HA3 GLY 113 1HA GLY 113 6.088 -14.028 0.332 265 H GLU 114 H GLU 114 6.047 -10.661 -0.363 266 HA GLU 114 HA GLU 114 7.081 -11.170 -3.103 267 HB2 GLU 114 2HB GLU 114 4.920 -9.244 -2.196 268 HB3 GLU 114 1HB GLU 114 5.548 -9.373 -3.839 269 HG2 GLU 114 2HG GLU 114 4.245 -11.648 -2.318 270 HG3 GLU 114 1HG GLU 114 3.427 -10.649 -3.517 271 H LYS 115 H LYS 115 8.749 -9.945 -3.742 272 HA LYS 115 HA LYS 115 9.328 -7.421 -2.307 273 HB2 LYS 115 2HB LYS 115 11.723 -8.035 -2.245 274 HB3 LYS 115 1HB LYS 115 10.737 -9.147 -1.295 275 HG2 LYS 115 2HG LYS 115 10.653 -10.570 -3.487 276 HG3 LYS 115 1HG LYS 115 12.041 -9.599 -3.978 277 HD2 LYS 115 2HD LYS 115 11.848 -11.262 -1.453 278 HD3 LYS 115 1HD LYS 115 12.795 -11.661 -2.887 279 HE2 LYS 115 2HE LYS 115 13.219 -9.377 -0.954 280 HE3 LYS 115 1HE LYS 115 14.344 -10.667 -1.377 281 HZ1 LYS 115 3HZ LYS 115 14.979 -8.691 -2.526 282 HZ2 LYS 115 1HZ LYS 115 13.412 -8.464 -3.133 283 HZ3 LYS 115 2HZ LYS 115 14.346 -9.777 -3.669 284 H LEU 116 H LEU 116 9.318 -5.865 -3.767 285 HA LEU 116 HA LEU 116 10.335 -6.424 -6.502 286 HB2 LEU 116 2HB LEU 116 8.515 -4.132 -5.761 287 HB3 LEU 116 1HB LEU 116 8.841 -4.822 -7.346 288 HG LEU 116 HG LEU 116 7.852 -7.043 -6.131 289 HD11 LEU 116 1HD1 LEU 116 6.238 -4.785 -4.910 290 HD12 LEU 116 2HD1 LEU 116 7.479 -5.664 -4.016 291 HD13 LEU 116 3HD1 LEU 116 6.060 -6.517 -4.625 292 HD21 LEU 116 3HD2 LEU 116 6.262 -4.788 -7.396 293 HD22 LEU 116 1HD2 LEU 116 5.628 -6.411 -7.118 294 HD23 LEU 116 2HD2 LEU 116 6.984 -6.170 -8.221 295 H THR 117 H THR 117 11.422 -4.567 -7.563 296 HA THR 117 HA THR 117 13.420 -3.483 -5.823 297 HB THR 117 HB THR 117 14.108 -2.202 -7.894 298 HG1 THR 117 1HG THR 117 12.450 -3.758 -9.427 299 HG21 THR 117 3HG2 THR 117 15.162 -4.306 -7.518 300 HG22 THR 117 1HG2 THR 117 14.619 -4.344 -9.195 301 HG23 THR 117 2HG2 THR 117 13.702 -5.195 -7.952 302 H ASP 118 H ASP 118 13.893 -1.065 -5.806 303 HA ASP 118 HA ASP 118 11.716 0.280 -4.618 304 HB2 ASP 118 2HB ASP 118 14.383 1.257 -5.637 305 HB3 ASP 118 1HB ASP 118 13.219 2.315 -4.842 306 H GLU 119 H GLU 119 13.085 0.402 -7.876 307 HA GLU 119 HA GLU 119 11.567 2.591 -8.818 308 HB2 GLU 119 2HB GLU 119 12.795 0.251 -10.281 309 HB3 GLU 119 1HB GLU 119 12.061 1.645 -11.078 310 HG2 GLU 119 2HG GLU 119 14.307 2.266 -10.973 311 HG3 GLU 119 1HG GLU 119 13.666 3.061 -9.552 312 H GLU 120 H GLU 120 10.878 -0.859 -8.561 313 HA GLU 120 HA GLU 120 8.483 -0.789 -10.134 314 HB2 GLU 120 2HB GLU 120 9.569 -2.750 -8.106 315 HB3 GLU 120 1HB GLU 120 8.050 -3.005 -8.967 316 HG2 GLU 120 2HG GLU 120 9.190 -2.953 -11.097 317 HG3 GLU 120 1HG GLU 120 10.707 -2.509 -10.338 318 H VAL 121 H VAL 121 9.158 -0.754 -6.628 319 HA VAL 121 HA VAL 121 6.446 -0.593 -5.820 320 HB VAL 121 HB VAL 121 8.979 0.320 -4.427 321 HG11 VAL 121 1HG1 VAL 121 7.136 1.497 -3.419 322 HG12 VAL 121 2HG1 VAL 121 7.508 0.133 -2.367 323 HG13 VAL 121 3HG1 VAL 121 6.122 0.055 -3.453 324 HG21 VAL 121 3HG2 VAL 121 8.524 -1.806 -3.116 325 HG22 VAL 121 1HG2 VAL 121 8.998 -2.060 -4.796 326 HG23 VAL 121 2HG2 VAL 121 7.303 -2.203 -4.327 327 H GLU 122 H GLU 122 8.934 1.901 -6.334 328 HA GLU 122 HA GLU 122 7.387 4.130 -5.627 329 HB2 GLU 122 2HB GLU 122 9.838 4.208 -6.041 330 HB3 GLU 122 1HB GLU 122 9.531 4.002 -7.766 331 HG2 GLU 122 2HG GLU 122 8.228 6.082 -7.806 332 HG3 GLU 122 1HG GLU 122 8.462 6.281 -6.071 333 H GLN 123 H GLN 123 7.613 2.319 -8.649 334 HA GLN 123 HA GLN 123 6.078 4.116 -10.229 335 HB2 GLN 123 2HB GLN 123 7.491 2.336 -11.206 336 HB3 GLN 123 1HB GLN 123 6.413 1.114 -10.533 337 HG2 GLN 123 2HG GLN 123 4.542 2.016 -11.856 338 HG3 GLN 123 1HG GLN 123 5.593 3.277 -12.499 339 HE21 GLN 123 1HE2 GLN 123 5.849 2.679 -14.677 340 HE22 GLN 123 2HE2 GLN 123 6.375 1.148 -15.189 341 H MET 124 H MET 124 5.192 1.293 -8.233 342 HA MET 124 HA MET 124 2.457 1.277 -8.924 343 HB2 MET 124 2HB MET 124 3.966 0.271 -6.506 344 HB3 MET 124 1HB MET 124 2.267 -0.037 -6.800 345 HG2 MET 124 2HG MET 124 4.452 -0.744 -8.758 346 HG3 MET 124 1HG MET 124 3.784 -1.882 -7.592 347 HE1 MET 124 3HE MET 124 1.260 -2.077 -7.236 348 HE2 MET 124 1HE MET 124 1.776 -3.446 -8.226 349 HE3 MET 124 2HE MET 124 0.282 -2.596 -8.606 350 H ILE 125 H ILE 125 4.267 2.825 -6.280 351 HA ILE 125 HA ILE 125 2.014 3.877 -4.917 352 HB ILE 125 HB ILE 125 4.884 4.837 -5.082 353 HG12 ILE 125 2HG1 ILE 125 4.631 2.586 -4.115 354 HG13 ILE 125 1HG1 ILE 125 5.115 3.737 -2.878 355 HG21 ILE 125 1HG2 ILE 125 2.561 5.761 -3.397 356 HG22 ILE 125 2HG2 ILE 125 3.700 6.730 -4.332 357 HG23 ILE 125 3HG2 ILE 125 4.225 5.951 -2.840 358 HD11 ILE 125 3HD1 ILE 125 3.413 2.587 -1.792 359 HD12 ILE 125 1HD1 ILE 125 2.479 2.353 -3.262 360 HD13 ILE 125 2HD1 ILE 125 2.508 3.927 -2.472 361 H LYS 126 H LYS 126 4.147 5.197 -7.384 362 HA LYS 126 HA LYS 126 2.890 7.731 -7.596 363 HB2 LYS 126 2HB LYS 126 4.594 6.202 -9.535 364 HB3 LYS 126 1HB LYS 126 4.099 7.871 -9.774 365 HG2 LYS 126 2HG LYS 126 5.473 7.041 -7.222 366 HG3 LYS 126 1HG LYS 126 6.426 7.376 -8.666 367 HD2 LYS 126 2HD LYS 126 5.348 9.625 -8.817 368 HD3 LYS 126 1HD LYS 126 4.507 9.300 -7.303 369 HE2 LYS 126 2HE LYS 126 7.516 9.333 -7.663 370 HE3 LYS 126 1HE LYS 126 6.559 10.603 -6.897 371 HZ1 LYS 126 3HZ LYS 126 7.552 8.240 -5.757 372 HZ2 LYS 126 1HZ LYS 126 5.858 8.172 -5.722 373 HZ3 LYS 126 2HZ LYS 126 6.670 9.484 -5.008 374 H GLU 127 H GLU 127 2.510 4.717 -9.365 375 HA GLU 127 HA GLU 127 0.600 5.714 -11.229 376 HB2 GLU 127 2HB GLU 127 1.997 3.676 -11.542 377 HB3 GLU 127 1HB GLU 127 1.004 2.875 -10.338 378 HG2 GLU 127 2HG GLU 127 -1.002 3.241 -11.684 379 HG3 GLU 127 1HG GLU 127 -0.057 4.122 -12.883 380 H ALA 128 H ALA 128 0.408 4.153 -8.096 381 HA ALA 128 HA ALA 128 -2.462 3.811 -8.191 382 HB1 ALA 128 1HB ALA 128 -0.446 3.556 -5.956 383 HB2 ALA 128 2HB ALA 128 -1.258 2.260 -6.834 384 HB3 ALA 128 3HB ALA 128 -2.175 3.287 -5.730 385 H ASP 129 H ASP 129 -0.275 6.280 -7.056 386 HA ASP 129 HA ASP 129 -2.137 7.624 -5.383 387 HB2 ASP 129 2HB ASP 129 0.310 7.881 -5.258 388 HB3 ASP 129 1HB ASP 129 0.277 8.800 -6.748 389 H LEU 130 H LEU 130 -3.959 8.303 -6.186 390 HA LEU 130 HA LEU 130 -4.076 9.514 -8.821 391 HB2 LEU 130 2HB LEU 130 -5.876 7.974 -8.106 392 HB3 LEU 130 1HB LEU 130 -6.291 9.085 -6.804 393 HG LEU 130 HG LEU 130 -6.799 10.847 -8.470 394 HD11 LEU 130 1HD1 LEU 130 -7.057 9.873 -10.912 395 HD12 LEU 130 2HD1 LEU 130 -5.831 8.726 -10.373 396 HD13 LEU 130 3HD1 LEU 130 -5.490 10.456 -10.363 397 HD21 LEU 130 3HD2 LEU 130 -8.855 9.840 -9.345 398 HD22 LEU 130 1HD2 LEU 130 -8.572 9.291 -7.694 399 HD23 LEU 130 2HD2 LEU 130 -8.210 8.226 -9.051 400 H ASP 131 H ASP 131 -4.100 10.513 -5.465 401 HA ASP 131 HA ASP 131 -5.101 13.167 -6.013 402 HB2 ASP 131 2HB ASP 131 -3.669 12.177 -3.545 403 HB3 ASP 131 1HB ASP 131 -4.690 13.605 -3.681 404 H GLY 132 H GLY 132 -2.062 11.675 -6.403 405 HA2 GLY 132 2HA GLY 132 -0.049 12.552 -7.060 406 HA3 GLY 132 1HA GLY 132 -0.835 14.121 -7.180 407 H ASP 133 H ASP 133 -1.034 12.415 -4.156 408 HA ASP 133 HA ASP 133 0.556 14.519 -2.873 409 HB2 ASP 133 2HB ASP 133 -0.251 13.485 -0.765 410 HB3 ASP 133 1HB ASP 133 -1.566 13.956 -1.838 411 H GLY 134 H GLY 134 0.964 11.342 -4.008 412 HA2 GLY 134 2HA GLY 134 2.995 10.185 -4.161 413 HA3 GLY 134 1HA GLY 134 3.654 11.210 -2.887 414 H GLN 135 H GLN 135 0.612 10.239 -2.011 415 HA GLN 135 HA GLN 135 1.626 7.931 -0.453 416 HB2 GLN 135 2HB GLN 135 -0.228 10.205 0.272 417 HB3 GLN 135 1HB GLN 135 -0.107 8.734 1.217 418 HG2 GLN 135 2HG GLN 135 1.383 10.260 2.252 419 HG3 GLN 135 1HG GLN 135 2.415 9.179 1.320 420 HE21 GLN 135 1HE2 GLN 135 0.701 12.335 0.971 421 HE22 GLN 135 2HE2 GLN 135 1.889 13.031 -0.021 422 H VAL 136 H VAL 136 0.282 6.176 -0.244 423 HA VAL 136 HA VAL 136 -1.975 6.055 -2.132 424 HB VAL 136 HB VAL 136 -0.475 3.953 -0.539 425 HG11 VAL 136 1HG1 VAL 136 -1.953 2.351 -1.882 426 HG12 VAL 136 2HG1 VAL 136 -2.999 3.736 -2.203 427 HG13 VAL 136 3HG1 VAL 136 -2.737 3.190 -0.547 428 HG21 VAL 136 3HG2 VAL 136 0.306 3.224 -2.669 429 HG22 VAL 136 1HG2 VAL 136 0.455 4.983 -2.705 430 HG23 VAL 136 2HG2 VAL 136 -0.889 4.193 -3.528 431 H ASN 137 H ASN 137 -3.859 6.785 -1.315 432 HA ASN 137 HA ASN 137 -4.442 6.450 1.546 433 HB2 ASN 137 2HB ASN 137 -4.822 8.661 0.490 434 HB3 ASN 137 1HB ASN 137 -5.986 7.919 -0.608 435 HD21 ASN 137 1HD2 ASN 137 -5.369 8.473 2.889 436 HD22 ASN 137 2HD2 ASN 137 -7.007 8.430 3.335 437 H TYR 138 H TYR 138 -6.892 5.965 1.926 438 HA TYR 138 HA TYR 138 -7.361 3.300 1.311 439 HB2 TYR 138 2HB TYR 138 -8.495 4.559 3.127 440 HB3 TYR 138 1HB TYR 138 -9.471 5.386 1.911 441 HD1 TYR 138 1HD TYR 138 -8.610 2.041 3.291 442 HD2 TYR 138 2HD TYR 138 -11.381 4.327 0.937 443 HE1 TYR 138 1HE TYR 138 -10.166 0.118 3.258 444 HE2 TYR 138 2HE TYR 138 -12.942 2.400 0.907 445 HH TYR 138 HH TYR 138 -13.118 0.145 2.821 446 H GLU 139 H GLU 139 -8.604 6.202 -0.355 447 HA GLU 139 HA GLU 139 -10.289 4.845 -2.157 448 HB2 GLU 139 2HB GLU 139 -10.366 7.286 -1.772 449 HB3 GLU 139 1HB GLU 139 -8.812 7.455 -2.589 450 HG2 GLU 139 2HG GLU 139 -9.777 6.544 -4.656 451 HG3 GLU 139 1HG GLU 139 -11.324 6.307 -3.844 452 H GLU 140 H GLU 140 -6.873 5.869 -2.533 453 HA GLU 140 HA GLU 140 -6.684 4.769 -5.143 454 HB2 GLU 140 2HB GLU 140 -4.576 5.555 -3.151 455 HB3 GLU 140 1HB GLU 140 -4.221 5.015 -4.770 456 HG2 GLU 140 2HG GLU 140 -5.178 6.890 -5.776 457 HG3 GLU 140 1HG GLU 140 -6.214 7.223 -4.407 458 H PHE 141 H PHE 141 -6.010 3.559 -1.901 459 HA PHE 141 HA PHE 141 -4.727 1.160 -2.658 460 HB2 PHE 141 2HB PHE 141 -4.783 2.146 -0.336 461 HB3 PHE 141 1HB PHE 141 -6.447 1.589 -0.204 462 HD1 PHE 141 1HD PHE 141 -3.060 0.302 -1.187 463 HD2 PHE 141 2HD PHE 141 -6.833 -0.542 0.689 464 HE1 PHE 141 1HE PHE 141 -2.244 -1.955 -0.563 465 HE2 PHE 141 2HE PHE 141 -6.016 -2.799 1.312 466 HZ PHE 141 HZ PHE 141 -3.722 -3.505 0.683 467 H VAL 142 H VAL 142 -8.119 1.754 -1.686 468 HA VAL 142 HA VAL 142 -9.016 -0.854 -2.230 469 HB VAL 142 HB VAL 142 -10.277 0.912 -0.939 470 HG11 VAL 142 1HG1 VAL 142 -11.162 1.853 -3.668 471 HG12 VAL 142 2HG1 VAL 142 -9.900 2.638 -2.737 472 HG13 VAL 142 3HG1 VAL 142 -11.533 2.574 -2.099 473 HG21 VAL 142 3HG2 VAL 142 -11.403 -1.153 -1.612 474 HG22 VAL 142 1HG2 VAL 142 -11.711 -0.493 -3.219 475 HG23 VAL 142 2HG2 VAL 142 -12.514 0.203 -1.811 476 H LYS 143 H LYS 143 -8.910 2.041 -4.250 477 HA LYS 143 HA LYS 143 -10.160 0.986 -6.546 478 HB2 LYS 143 2HB LYS 143 -9.647 3.388 -6.141 479 HB3 LYS 143 1HB LYS 143 -7.944 3.046 -6.397 480 HG2 LYS 143 2HG LYS 143 -8.400 2.305 -8.678 481 HG3 LYS 143 1HG LYS 143 -10.132 2.536 -8.433 482 HD2 LYS 143 2HD LYS 143 -9.745 4.944 -8.021 483 HD3 LYS 143 1HD LYS 143 -8.020 4.709 -8.305 484 HE2 LYS 143 2HE LYS 143 -10.186 4.068 -10.326 485 HE3 LYS 143 1HE LYS 143 -9.235 5.555 -10.321 486 HZ1 LYS 143 3HZ LYS 143 -7.333 3.672 -10.148 487 HZ2 LYS 143 1HZ LYS 143 -7.841 4.389 -11.598 488 HZ3 LYS 143 2HZ LYS 143 -8.481 2.888 -11.124 489 H MET 144 H MET 144 -6.712 1.232 -5.689 490 HA MET 144 HA MET 144 -5.718 -0.136 -7.954 491 HB2 MET 144 2HB MET 144 -4.419 1.245 -6.233 492 HB3 MET 144 1HB MET 144 -4.441 -0.185 -5.229 493 HG2 MET 144 2HG MET 144 -3.473 -0.403 -8.076 494 HG3 MET 144 1HG MET 144 -2.398 0.214 -6.831 495 HE1 MET 144 3HE MET 144 -1.513 -2.452 -4.565 496 HE2 MET 144 1HE MET 144 -3.046 -1.709 -4.095 497 HE3 MET 144 2HE MET 144 -1.783 -0.736 -4.843 498 H MET 145 H MET 145 -6.818 -1.160 -4.819 499 HA MET 145 HA MET 145 -6.016 -3.886 -4.994 500 HB2 MET 145 2HB MET 145 -6.694 -2.759 -2.863 501 HB3 MET 145 1HB MET 145 -8.359 -2.746 -3.445 502 HG2 MET 145 2HG MET 145 -8.049 -4.681 -2.001 503 HG3 MET 145 1HG MET 145 -8.253 -5.242 -3.658 504 HE1 MET 145 3HE MET 145 -5.748 -4.019 -1.060 505 HE2 MET 145 1HE MET 145 -4.575 -5.342 -0.980 506 HE3 MET 145 2HE MET 145 -6.253 -5.618 -0.519 507 H MET 146 H MET 146 -8.961 -2.142 -5.928 508 HA MET 146 HA MET 146 -10.485 -4.406 -6.658 509 HB2 MET 146 2HB MET 146 -10.601 -1.495 -7.446 510 HB3 MET 146 1HB MET 146 -11.683 -2.681 -8.178 511 HG2 MET 146 2HG MET 146 -12.523 -3.322 -5.965 512 HG3 MET 146 1HG MET 146 -11.400 -2.212 -5.193 513 HE1 MET 146 3HE MET 146 -15.180 -1.338 -7.574 514 HE2 MET 146 1HE MET 146 -14.274 -2.848 -7.413 515 HE3 MET 146 2HE MET 146 -13.729 -1.605 -8.535 516 H THR 147 H THR 147 -8.079 -2.479 -8.352 517 HA THR 147 HA THR 147 -8.493 -3.426 -10.962 518 HB THR 147 HB THR 147 -5.825 -2.763 -9.704 519 HG1 THR 147 1HG THR 147 -7.996 -1.202 -10.518 520 HG21 THR 147 3HG2 THR 147 -5.734 -3.768 -11.956 521 HG22 THR 147 1HG2 THR 147 -5.252 -2.071 -11.993 522 HG23 THR 147 2HG2 THR 147 -6.860 -2.543 -12.543 523 H VAL 148 H VAL 148 -5.777 -4.466 -8.905 524 HA VAL 148 HA VAL 148 -5.414 -6.901 -10.334 525 HB VAL 148 HB VAL 148 -4.350 -5.983 -7.651 526 HG11 VAL 148 1HG1 VAL 148 -3.700 -8.409 -9.348 527 HG12 VAL 148 2HG1 VAL 148 -4.250 -8.394 -7.673 528 HG13 VAL 148 3HG1 VAL 148 -2.637 -7.807 -8.076 529 HG21 VAL 148 3HG2 VAL 148 -3.735 -4.747 -9.814 530 HG22 VAL 148 1HG2 VAL 148 -2.932 -6.235 -10.314 531 HG23 VAL 148 2HG2 VAL 148 -2.384 -5.380 -8.873 532 H ARG 149 H ARG 149 -7.520 -5.965 -7.827 533 HA ARG 149 HA ARG 149 -9.074 -7.091 -6.569 534 HB2 ARG 149 2HB ARG 149 -8.615 -9.261 -8.633 535 HB3 ARG 149 1HB ARG 149 -9.956 -9.194 -7.491 536 HG2 ARG 149 2HG ARG 149 -10.718 -7.077 -8.458 537 HG3 ARG 149 1HG ARG 149 -9.338 -7.072 -9.559 538 HD2 ARG 149 2HD ARG 149 -11.291 -7.905 -10.744 539 HD3 ARG 149 1HD ARG 149 -10.133 -9.214 -10.530 540 HE ARG 149 HE ARG 149 -12.100 -9.082 -8.422 541 HH11 ARG 149 1HH2 ARG 149 -11.363 -10.185 -11.615 542 HH12 ARG 149 2HH2 ARG 149 -12.481 -11.507 -11.569 543 HH21 ARG 149 1HH1 ARG 149 -13.569 -10.815 -8.349 544 HH22 ARG 149 2HH1 ARG 149 -13.731 -11.864 -9.718 Start of MODEL 18 1 H1 ASP 80 1HT ASP 80 -19.287 -6.879 3.621 2 H2 ASP 80 2HT ASP 80 -18.437 -5.687 4.482 3 H3 ASP 80 3HT ASP 80 -19.351 -6.851 5.316 4 HA ASP 80 HA ASP 80 -17.310 -7.764 5.579 5 HB2 ASP 80 2HB ASP 80 -18.760 -9.322 4.292 6 HB3 ASP 80 1HB ASP 80 -18.054 -8.712 2.800 7 H ALA 81 H ALA 81 -17.089 -7.324 2.057 8 HA ALA 81 HA ALA 81 -14.367 -6.906 1.922 9 HB1 ALA 81 1HB ALA 81 -16.059 -7.055 -0.011 10 HB2 ALA 81 2HB ALA 81 -14.700 -5.953 -0.229 11 HB3 ALA 81 3HB ALA 81 -16.289 -5.318 0.207 12 H GLU 82 H GLU 82 -16.895 -4.421 2.426 13 HA GLU 82 HA GLU 82 -15.184 -2.213 2.528 14 HB2 GLU 82 2HB GLU 82 -17.723 -2.201 2.414 15 HB3 GLU 82 1HB GLU 82 -17.717 -2.524 4.150 16 HG2 GLU 82 2HG GLU 82 -17.855 -0.158 3.915 17 HG3 GLU 82 1HG GLU 82 -16.201 -0.512 4.393 18 H GLU 83 H GLU 83 -16.001 -4.627 4.936 19 HA GLU 83 HA GLU 83 -14.769 -3.180 7.126 20 HB2 GLU 83 2HB GLU 83 -16.552 -4.864 7.516 21 HB3 GLU 83 1HB GLU 83 -15.464 -6.124 6.932 22 HG2 GLU 83 2HG GLU 83 -13.871 -5.619 8.717 23 HG3 GLU 83 1HG GLU 83 -14.886 -4.291 9.277 24 H GLU 84 H GLU 84 -13.920 -6.276 5.544 25 HA GLU 84 HA GLU 84 -11.358 -6.567 6.464 26 HB2 GLU 84 2HB GLU 84 -12.511 -8.193 4.982 27 HB3 GLU 84 1HB GLU 84 -12.238 -7.115 3.615 28 HG2 GLU 84 2HG GLU 84 -9.819 -7.282 3.921 29 HG3 GLU 84 1HG GLU 84 -10.055 -8.278 5.351 30 H LEU 85 H LEU 85 -12.348 -4.620 3.606 31 HA LEU 85 HA LEU 85 -9.745 -3.753 2.949 32 HB2 LEU 85 2HB LEU 85 -12.480 -2.592 2.441 33 HB3 LEU 85 1HB LEU 85 -11.013 -1.812 1.854 34 HG LEU 85 HG LEU 85 -11.711 -4.711 1.289 35 HD11 LEU 85 1HD1 LEU 85 -13.410 -3.211 0.312 36 HD12 LEU 85 2HD1 LEU 85 -12.410 -3.939 -0.947 37 HD13 LEU 85 3HD1 LEU 85 -12.134 -2.267 -0.456 38 HD21 LEU 85 3HD2 LEU 85 -9.448 -4.589 0.815 39 HD22 LEU 85 1HD2 LEU 85 -9.477 -2.852 0.508 40 HD23 LEU 85 2HD2 LEU 85 -10.057 -3.977 -0.715 41 H LYS 86 H LYS 86 -12.243 -2.309 5.040 42 HA LYS 86 HA LYS 86 -10.733 0.008 5.687 43 HB2 LYS 86 2HB LYS 86 -13.182 -0.190 6.053 44 HB3 LYS 86 1HB LYS 86 -12.868 -1.343 7.350 45 HG2 LYS 86 2HG LYS 86 -11.626 0.332 8.605 46 HG3 LYS 86 1HG LYS 86 -11.776 1.483 7.277 47 HD2 LYS 86 2HD LYS 86 -14.238 1.438 7.526 48 HD3 LYS 86 1HD LYS 86 -14.072 0.317 8.878 49 HE2 LYS 86 2HE LYS 86 -12.803 1.981 10.145 50 HE3 LYS 86 1HE LYS 86 -12.866 3.097 8.780 51 HZ1 LYS 86 3HZ LYS 86 -14.627 3.814 10.024 52 HZ2 LYS 86 1HZ LYS 86 -15.010 2.266 10.604 53 HZ3 LYS 86 2HZ LYS 86 -15.413 2.699 9.011 54 H GLU 87 H GLU 87 -11.076 -3.158 7.281 55 HA GLU 87 HA GLU 87 -9.368 -2.497 9.465 56 HB2 GLU 87 2HB GLU 87 -11.076 -4.445 9.245 57 HB3 GLU 87 1HB GLU 87 -9.776 -5.311 8.423 58 HG2 GLU 87 2HG GLU 87 -9.515 -4.046 11.176 59 HG3 GLU 87 1HG GLU 87 -9.861 -5.749 10.894 60 H ALA 88 H ALA 88 -8.827 -4.427 6.508 61 HA ALA 88 HA ALA 88 -6.133 -4.996 6.878 62 HB1 ALA 88 1HB ALA 88 -7.566 -5.865 5.015 63 HB2 ALA 88 2HB ALA 88 -5.987 -5.289 4.481 64 HB3 ALA 88 3HB ALA 88 -7.422 -4.293 4.228 65 H PHE 89 H PHE 89 -7.639 -2.082 5.498 66 HA PHE 89 HA PHE 89 -5.281 -0.743 4.761 67 HB2 PHE 89 2HB PHE 89 -7.541 0.003 4.099 68 HB3 PHE 89 1HB PHE 89 -7.878 0.449 5.770 69 HD1 PHE 89 1HD PHE 89 -5.865 1.253 2.773 70 HD2 PHE 89 2HD PHE 89 -6.872 2.411 6.781 71 HE1 PHE 89 1HE PHE 89 -4.816 3.460 2.396 72 HE2 PHE 89 2HE PHE 89 -5.809 4.620 6.407 73 HZ PHE 89 HZ PHE 89 -4.778 5.139 4.212 74 H LYS 90 H LYS 90 -7.078 -0.806 7.841 75 HA LYS 90 HA LYS 90 -5.498 1.079 9.211 76 HB2 LYS 90 2HB LYS 90 -7.692 0.214 10.007 77 HB3 LYS 90 1HB LYS 90 -6.918 -1.328 10.376 78 HG2 LYS 90 2HG LYS 90 -5.413 -0.230 11.957 79 HG3 LYS 90 1HG LYS 90 -6.093 1.344 11.547 80 HD2 LYS 90 2HD LYS 90 -8.309 0.588 12.351 81 HD3 LYS 90 1HD LYS 90 -7.606 -0.968 12.793 82 HE2 LYS 90 2HE LYS 90 -6.096 0.132 14.377 83 HE3 LYS 90 1HE LYS 90 -6.722 1.711 13.904 84 HZ1 LYS 90 3HZ LYS 90 -8.357 -0.474 15.076 85 HZ2 LYS 90 1HZ LYS 90 -8.882 1.098 14.714 86 HZ3 LYS 90 2HZ LYS 90 -7.742 0.847 15.949 87 H VAL 91 H VAL 91 -5.006 -2.340 8.540 88 HA VAL 91 HA VAL 91 -2.833 -2.655 10.390 89 HB VAL 91 HB VAL 91 -3.621 -4.328 7.996 90 HG11 VAL 91 1HG1 VAL 91 -1.320 -4.791 8.513 91 HG12 VAL 91 2HG1 VAL 91 -2.268 -6.075 9.265 92 HG13 VAL 91 3HG1 VAL 91 -1.638 -4.753 10.248 93 HG21 VAL 91 3HG2 VAL 91 -4.745 -5.726 9.606 94 HG22 VAL 91 1HG2 VAL 91 -5.282 -4.074 9.903 95 HG23 VAL 91 2HG2 VAL 91 -4.073 -4.812 10.955 96 H PHE 92 H PHE 92 -3.078 -1.967 6.924 97 HA PHE 92 HA PHE 92 -0.320 -2.082 6.345 98 HB2 PHE 92 2HB PHE 92 -2.659 -0.691 5.054 99 HB3 PHE 92 1HB PHE 92 -1.025 -0.331 4.497 100 HD1 PHE 92 1HD PHE 92 -2.446 -3.575 5.734 101 HD2 PHE 92 2HD PHE 92 -0.842 -1.378 2.411 102 HE1 PHE 92 1HE PHE 92 -2.423 -5.638 4.391 103 HE2 PHE 92 2HE PHE 92 -0.829 -3.445 1.060 104 HZ PHE 92 HZ PHE 92 -1.615 -5.584 2.049 105 H ASP 93 H ASP 93 -2.339 0.474 7.667 106 HA ASP 93 HA ASP 93 -0.356 2.517 7.411 107 HB2 ASP 93 2HB ASP 93 -2.889 2.815 7.678 108 HB3 ASP 93 1HB ASP 93 -2.624 2.518 9.395 109 H LYS 94 H LYS 94 1.389 1.039 8.321 110 HA LYS 94 HA LYS 94 1.546 0.214 10.965 111 HB2 LYS 94 2HB LYS 94 3.269 -0.195 9.170 112 HB3 LYS 94 1HB LYS 94 3.852 1.449 9.438 113 HG2 LYS 94 2HG LYS 94 4.352 0.933 11.770 114 HG3 LYS 94 1HG LYS 94 3.670 -0.685 11.590 115 HD2 LYS 94 2HD LYS 94 5.385 -1.183 9.855 116 HD3 LYS 94 1HD LYS 94 6.089 0.412 10.123 117 HE2 LYS 94 2HE LYS 94 6.509 -0.168 12.487 118 HE3 LYS 94 1HE LYS 94 5.811 -1.764 12.215 119 HZ1 LYS 94 3HZ LYS 94 7.929 -2.311 11.784 120 HZ2 LYS 94 1HZ LYS 94 8.395 -0.720 11.426 121 HZ3 LYS 94 2HZ LYS 94 7.603 -1.655 10.250 122 H ASP 95 H ASP 95 2.392 3.421 9.629 123 HA ASP 95 HA ASP 95 2.998 4.515 12.214 124 HB2 ASP 95 2HB ASP 95 2.332 6.174 9.791 125 HB3 ASP 95 1HB ASP 95 3.468 6.515 11.092 126 H GLN 96 H GLN 96 0.180 3.474 11.054 127 HA GLN 96 HA GLN 96 -2.044 4.138 11.241 128 HB2 GLN 96 2HB GLN 96 -2.647 4.634 13.567 129 HB3 GLN 96 1HB GLN 96 -1.484 3.315 13.481 130 HG2 GLN 96 2HG GLN 96 0.331 4.781 14.109 131 HG3 GLN 96 1HG GLN 96 -0.700 6.205 13.986 132 HE21 GLN 96 1HE2 GLN 96 -0.861 6.914 16.109 133 HE22 GLN 96 2HE2 GLN 96 -1.349 5.932 17.405 134 H ASN 97 H ASN 97 -0.337 6.210 10.053 135 HA ASN 97 HA ASN 97 -1.175 8.723 11.245 136 HB2 ASN 97 2HB ASN 97 0.073 9.764 9.429 137 HB3 ASN 97 1HB ASN 97 1.043 8.496 10.181 138 HD21 ASN 97 1HD2 ASN 97 1.551 9.336 7.490 139 HD22 ASN 97 2HD2 ASN 97 1.144 8.057 6.450 140 H GLY 98 H GLY 98 -2.658 6.492 9.252 141 HA2 GLY 98 2HA GLY 98 -4.892 6.780 8.478 142 HA3 GLY 98 1HA GLY 98 -4.606 8.511 8.347 143 H TYR 99 H TYR 99 -1.883 7.333 7.096 144 HA TYR 99 HA TYR 99 -2.966 6.868 4.370 145 HB2 TYR 99 2HB TYR 99 -0.836 8.843 5.214 146 HB3 TYR 99 1HB TYR 99 -1.031 8.296 3.548 147 HD1 TYR 99 1HD TYR 99 -2.667 10.089 6.348 148 HD2 TYR 99 2HD TYR 99 -2.873 9.019 2.199 149 HE1 TYR 99 1HE TYR 99 -4.515 11.708 6.026 150 HE2 TYR 99 2HE TYR 99 -4.723 10.639 1.877 151 HH TYR 99 HH TYR 99 -5.619 12.643 2.918 152 H ILE 100 H ILE 100 -1.853 5.302 3.199 153 HA ILE 100 HA ILE 100 0.206 3.823 4.664 154 HB ILE 100 HB ILE 100 -0.789 3.238 1.877 155 HG12 ILE 100 2HG1 ILE 100 -1.951 2.213 4.489 156 HG13 ILE 100 1HG1 ILE 100 -2.702 3.425 3.467 157 HG21 ILE 100 1HG2 ILE 100 1.255 2.088 2.630 158 HG22 ILE 100 2HG2 ILE 100 -0.088 0.954 2.473 159 HG23 ILE 100 3HG2 ILE 100 0.405 1.521 4.068 160 HD11 ILE 100 3HD1 ILE 100 -3.500 1.018 3.121 161 HD12 ILE 100 1HD1 ILE 100 -1.924 0.693 2.409 162 HD13 ILE 100 2HD1 ILE 100 -2.995 1.881 1.673 163 H SER 101 H SER 101 2.331 4.036 4.339 164 HA SER 101 HA SER 101 3.257 5.899 2.240 165 HB2 SER 101 2HB SER 101 4.059 6.390 4.466 166 HB3 SER 101 1HB SER 101 4.631 4.739 4.672 167 HG SER 101 HG SER 101 5.646 6.818 3.081 168 H ALA 102 H ALA 102 5.075 5.356 0.883 169 HA ALA 102 HA ALA 102 4.896 2.888 -0.386 170 HB1 ALA 102 1HB ALA 102 7.054 3.419 -1.429 171 HB2 ALA 102 2HB ALA 102 7.332 4.681 -0.229 172 HB3 ALA 102 3HB ALA 102 6.013 4.842 -1.389 173 H SER 103 H SER 103 7.093 3.902 2.226 174 HA SER 103 HA SER 103 8.627 1.550 2.344 175 HB2 SER 103 2HB SER 103 7.851 3.405 4.613 176 HB3 SER 103 1HB SER 103 9.169 2.238 4.645 177 HG SER 103 HG SER 103 8.874 4.522 2.988 178 H GLU 104 H GLU 104 5.546 2.381 3.978 179 HA GLU 104 HA GLU 104 5.376 0.031 5.501 180 HB2 GLU 104 2HB GLU 104 3.263 1.906 4.427 181 HB3 GLU 104 1HB GLU 104 2.921 0.590 5.522 182 HG2 GLU 104 2HG GLU 104 4.518 1.535 7.157 183 HG3 GLU 104 1HG GLU 104 4.801 2.882 6.068 184 H LEU 105 H LEU 105 4.363 0.802 2.185 185 HA LEU 105 HA LEU 105 2.910 -1.574 1.720 186 HB2 LEU 105 2HB LEU 105 3.183 0.668 0.297 187 HB3 LEU 105 1HB LEU 105 4.432 -0.265 -0.512 188 HG LEU 105 HG LEU 105 2.392 -0.599 -1.746 189 HD11 LEU 105 1HD1 LEU 105 2.261 -2.951 -1.767 190 HD12 LEU 105 2HD1 LEU 105 2.570 -3.076 -0.039 191 HD13 LEU 105 3HD1 LEU 105 3.876 -2.625 -1.143 192 HD21 LEU 105 3HD2 LEU 105 0.985 -0.001 0.441 193 HD22 LEU 105 1HD2 LEU 105 0.936 -1.755 0.627 194 HD23 LEU 105 2HD2 LEU 105 0.294 -1.005 -0.827 195 H ARG 106 H ARG 106 6.317 -0.749 1.293 196 HA ARG 106 HA ARG 106 7.082 -3.170 0.034 197 HB2 ARG 106 2HB ARG 106 8.687 -1.203 1.688 198 HB3 ARG 106 1HB ARG 106 9.393 -2.558 0.804 199 HG2 ARG 106 2HG ARG 106 8.293 -1.675 -1.282 200 HG3 ARG 106 1HG ARG 106 7.820 -0.252 -0.364 201 HD2 ARG 106 2HD ARG 106 10.674 -1.207 -0.698 202 HD3 ARG 106 1HD ARG 106 9.928 0.064 -1.663 203 HE ARG 106 HE ARG 106 9.542 0.837 0.954 204 HH11 ARG 106 1HH2 ARG 106 12.183 -0.013 -1.094 205 HH12 ARG 106 2HH2 ARG 106 13.329 1.002 -0.283 206 HH21 ARG 106 1HH1 ARG 106 11.033 2.177 2.039 207 HH22 ARG 106 2HH1 ARG 106 12.676 2.244 1.496 208 H HIS 107 H HIS 107 7.173 -2.158 3.456 209 HA HIS 107 HA HIS 107 8.269 -4.460 4.557 210 HB2 HIS 107 2HB HIS 107 7.766 -2.431 5.871 211 HB3 HIS 107 1HB HIS 107 6.041 -2.764 5.722 212 HD1 HIS 107 1HD HIS 107 5.053 -4.194 7.511 213 HD2 HIS 107 2HD HIS 107 9.181 -4.705 7.244 214 HE1 HIS 107 1HE HIS 107 5.705 -5.752 9.397 215 HE2 HIS 107 2HE HIS 107 8.220 -6.074 9.247 216 H VAL 108 H VAL 108 4.953 -3.832 3.542 217 HA VAL 108 HA VAL 108 3.836 -6.245 4.541 218 HB VAL 108 HB VAL 108 2.984 -4.469 2.245 219 HG11 VAL 108 1HG1 VAL 108 1.665 -6.866 3.538 220 HG12 VAL 108 2HG1 VAL 108 2.017 -6.616 1.828 221 HG13 VAL 108 3HG1 VAL 108 0.766 -5.665 2.615 222 HG21 VAL 108 3HG2 VAL 108 3.001 -3.578 4.637 223 HG22 VAL 108 1HG2 VAL 108 1.784 -4.800 5.004 224 HG23 VAL 108 2HG2 VAL 108 1.438 -3.538 3.822 225 H MET 109 H MET 109 5.321 -5.380 1.422 226 HA MET 109 HA MET 109 4.799 -7.804 0.091 227 HB2 MET 109 2HB MET 109 6.893 -5.662 -0.195 228 HB3 MET 109 1HB MET 109 7.021 -7.131 -1.152 229 HG2 MET 109 2HG MET 109 5.742 -5.128 -2.170 230 HG3 MET 109 1HG MET 109 4.998 -6.722 -2.272 231 HE1 MET 109 3HE MET 109 1.642 -5.432 -1.585 232 HE2 MET 109 1HE MET 109 2.659 -6.746 -2.195 233 HE3 MET 109 2HE MET 109 2.832 -5.118 -2.846 234 H ILE 110 H ILE 110 7.520 -6.847 2.184 235 HA ILE 110 HA ILE 110 8.997 -9.254 1.864 236 HB ILE 110 HB ILE 110 8.942 -7.535 4.362 237 HG12 ILE 110 2HG1 ILE 110 9.194 -5.984 2.556 238 HG13 ILE 110 1HG1 ILE 110 10.809 -6.266 3.168 239 HG21 ILE 110 1HG2 ILE 110 10.259 -9.658 4.390 240 HG22 ILE 110 2HG2 ILE 110 11.291 -8.233 4.508 241 HG23 ILE 110 3HG2 ILE 110 11.150 -9.095 2.976 242 HD11 ILE 110 3HD1 ILE 110 10.965 -8.100 1.361 243 HD12 ILE 110 1HD1 ILE 110 11.031 -6.423 0.816 244 HD13 ILE 110 2HD1 ILE 110 9.534 -7.337 0.657 245 H ASN 111 H ASN 111 6.623 -8.230 4.299 246 HA ASN 111 HA ASN 111 6.664 -10.586 5.837 247 HB2 ASN 111 2HB ASN 111 5.544 -8.666 6.710 248 HB3 ASN 111 1HB ASN 111 4.447 -8.590 5.341 249 HD21 ASN 111 1HD2 ASN 111 5.470 -11.270 7.560 250 HD22 ASN 111 2HD2 ASN 111 3.885 -11.740 7.947 251 H LEU 112 H LEU 112 4.984 -9.779 2.857 252 HA LEU 112 HA LEU 112 3.408 -12.178 2.840 253 HB2 LEU 112 2HB LEU 112 3.968 -10.016 0.827 254 HB3 LEU 112 1HB LEU 112 3.090 -11.465 0.383 255 HG LEU 112 HG LEU 112 2.296 -9.725 2.734 256 HD11 LEU 112 1HD1 LEU 112 1.029 -9.693 -0.019 257 HD12 LEU 112 2HD1 LEU 112 2.234 -8.510 0.490 258 HD13 LEU 112 3HD1 LEU 112 0.691 -8.617 1.337 259 HD21 LEU 112 3HD2 LEU 112 1.070 -12.072 1.275 260 HD22 LEU 112 1HD2 LEU 112 0.023 -10.901 2.071 261 HD23 LEU 112 2HD2 LEU 112 1.209 -11.788 3.008 262 H GLY 113 H GLY 113 6.615 -11.684 2.424 263 HA2 GLY 113 2HA GLY 113 8.278 -13.179 1.769 264 HA3 GLY 113 1HA GLY 113 7.008 -14.289 1.263 265 H GLU 114 H GLU 114 6.730 -11.106 0.043 266 HA GLU 114 HA GLU 114 7.782 -11.976 -2.602 267 HB2 GLU 114 2HB GLU 114 5.510 -10.083 -1.922 268 HB3 GLU 114 1HB GLU 114 6.137 -10.353 -3.548 269 HG2 GLU 114 2HG GLU 114 5.544 -12.721 -3.421 270 HG3 GLU 114 1HG GLU 114 4.992 -12.515 -1.759 271 H LYS 115 H LYS 115 9.176 -10.594 -3.662 272 HA LYS 115 HA LYS 115 9.790 -7.986 -2.378 273 HB2 LYS 115 2HB LYS 115 12.225 -8.538 -3.143 274 HB3 LYS 115 1HB LYS 115 11.614 -9.273 -1.659 275 HG2 LYS 115 2HG LYS 115 11.078 -11.330 -2.838 276 HG3 LYS 115 1HG LYS 115 11.523 -10.608 -4.382 277 HD2 LYS 115 2HD LYS 115 13.843 -10.275 -3.497 278 HD3 LYS 115 1HD LYS 115 13.370 -11.160 -2.046 279 HE2 LYS 115 2HE LYS 115 13.229 -12.247 -4.874 280 HE3 LYS 115 1HE LYS 115 14.479 -12.644 -3.694 281 HZ1 LYS 115 3HZ LYS 115 12.040 -13.031 -2.439 282 HZ2 LYS 115 1HZ LYS 115 13.149 -14.218 -2.927 283 HZ3 LYS 115 2HZ LYS 115 11.897 -13.745 -3.974 284 H LEU 116 H LEU 116 9.050 -6.564 -3.858 285 HA LEU 116 HA LEU 116 9.466 -7.094 -6.727 286 HB2 LEU 116 2HB LEU 116 7.775 -5.138 -5.174 287 HB3 LEU 116 1HB LEU 116 8.077 -4.920 -6.898 288 HG LEU 116 HG LEU 116 7.116 -7.106 -7.390 289 HD11 LEU 116 1HD1 LEU 116 7.049 -7.334 -4.377 290 HD12 LEU 116 2HD1 LEU 116 7.716 -8.467 -5.555 291 HD13 LEU 116 3HD1 LEU 116 5.973 -8.299 -5.389 292 HD21 LEU 116 3HD2 LEU 116 5.299 -5.692 -5.423 293 HD22 LEU 116 1HD2 LEU 116 4.821 -6.637 -6.832 294 HD23 LEU 116 2HD2 LEU 116 5.624 -5.080 -7.045 295 H THR 117 H THR 117 10.208 -5.187 -8.063 296 HA THR 117 HA THR 117 12.723 -4.266 -7.044 297 HB THR 117 HB THR 117 13.084 -3.346 -9.171 298 HG1 THR 117 1HG THR 117 10.391 -3.360 -9.887 299 HG21 THR 117 3HG2 THR 117 10.952 -5.435 -9.688 300 HG22 THR 117 1HG2 THR 117 12.610 -5.814 -9.224 301 HG23 THR 117 2HG2 THR 117 12.286 -4.997 -10.753 302 H ASP 118 H ASP 118 13.346 -2.041 -6.637 303 HA ASP 118 HA ASP 118 11.466 -0.610 -5.080 304 HB2 ASP 118 2HB ASP 118 14.150 0.159 -6.229 305 HB3 ASP 118 1HB ASP 118 13.203 1.244 -5.211 306 H GLU 119 H GLU 119 12.623 -0.168 -8.407 307 HA GLU 119 HA GLU 119 11.233 2.255 -8.887 308 HB2 GLU 119 2HB GLU 119 12.197 0.104 -10.789 309 HB3 GLU 119 1HB GLU 119 11.531 1.654 -11.306 310 HG2 GLU 119 2HG GLU 119 13.281 2.844 -10.061 311 HG3 GLU 119 1HG GLU 119 13.936 1.310 -9.485 312 H GLU 120 H GLU 120 10.242 -1.135 -9.004 313 HA GLU 120 HA GLU 120 7.837 -0.671 -10.457 314 HB2 GLU 120 2HB GLU 120 8.600 -2.903 -10.469 315 HB3 GLU 120 1HB GLU 120 8.877 -2.914 -8.729 316 HG2 GLU 120 2HG GLU 120 6.832 -4.179 -9.447 317 HG3 GLU 120 1HG GLU 120 6.513 -2.902 -8.285 318 H VAL 121 H VAL 121 8.672 -0.857 -7.015 319 HA VAL 121 HA VAL 121 6.011 -0.582 -6.061 320 HB VAL 121 HB VAL 121 8.671 0.029 -4.753 321 HG11 VAL 121 1HG1 VAL 121 7.072 1.365 -3.586 322 HG12 VAL 121 2HG1 VAL 121 7.243 -0.105 -2.631 323 HG13 VAL 121 3HG1 VAL 121 5.842 0.105 -3.680 324 HG21 VAL 121 3HG2 VAL 121 8.261 -2.089 -3.595 325 HG22 VAL 121 1HG2 VAL 121 8.185 -2.352 -5.336 326 HG23 VAL 121 2HG2 VAL 121 6.698 -2.251 -4.394 327 H GLU 122 H GLU 122 8.613 1.782 -6.652 328 HA GLU 122 HA GLU 122 7.227 4.044 -5.739 329 HB2 GLU 122 2HB GLU 122 9.380 3.753 -7.848 330 HB3 GLU 122 1HB GLU 122 8.793 5.300 -7.256 331 HG2 GLU 122 2HG GLU 122 9.943 3.139 -5.479 332 HG3 GLU 122 1HG GLU 122 10.861 4.517 -6.080 333 H GLN 123 H GLN 123 7.319 2.496 -8.922 334 HA GLN 123 HA GLN 123 5.752 4.460 -10.248 335 HB2 GLN 123 2HB GLN 123 6.352 1.562 -10.832 336 HB3 GLN 123 1HB GLN 123 5.281 2.513 -11.864 337 HG2 GLN 123 2HG GLN 123 7.061 4.150 -12.249 338 HG3 GLN 123 1HG GLN 123 8.132 3.281 -11.158 339 HE21 GLN 123 1HE2 GLN 123 7.526 3.689 -14.396 340 HE22 GLN 123 2HE2 GLN 123 8.080 2.192 -14.977 341 H MET 124 H MET 124 4.889 1.460 -8.534 342 HA MET 124 HA MET 124 2.143 1.529 -9.172 343 HB2 MET 124 2HB MET 124 3.322 -0.465 -8.288 344 HB3 MET 124 1HB MET 124 3.513 0.349 -6.736 345 HG2 MET 124 2HG MET 124 1.042 0.555 -6.577 346 HG3 MET 124 1HG MET 124 0.896 -0.333 -8.090 347 HE1 MET 124 3HE MET 124 0.281 -2.896 -7.929 348 HE2 MET 124 1HE MET 124 1.678 -3.861 -7.428 349 HE3 MET 124 2HE MET 124 1.887 -2.514 -8.545 350 H ILE 125 H ILE 125 4.021 2.862 -6.456 351 HA ILE 125 HA ILE 125 1.800 3.817 -4.984 352 HB ILE 125 HB ILE 125 4.675 4.767 -5.107 353 HG12 ILE 125 2HG1 ILE 125 4.022 2.370 -4.289 354 HG13 ILE 125 1HG1 ILE 125 5.103 3.335 -3.291 355 HG21 ILE 125 1HG2 ILE 125 4.037 5.706 -2.777 356 HG22 ILE 125 2HG2 ILE 125 2.370 5.571 -3.334 357 HG23 ILE 125 3HG2 ILE 125 3.505 6.609 -4.197 358 HD11 ILE 125 3HD1 ILE 125 3.337 3.899 -1.770 359 HD12 ILE 125 1HD1 ILE 125 3.213 2.166 -2.048 360 HD13 ILE 125 2HD1 ILE 125 2.109 3.266 -2.851 361 H LYS 126 H LYS 126 3.899 5.329 -7.366 362 HA LYS 126 HA LYS 126 2.629 7.866 -7.354 363 HB2 LYS 126 2HB LYS 126 4.326 6.487 -9.398 364 HB3 LYS 126 1HB LYS 126 3.742 8.134 -9.598 365 HG2 LYS 126 2HG LYS 126 4.830 8.774 -7.482 366 HG3 LYS 126 1HG LYS 126 5.409 7.123 -7.278 367 HD2 LYS 126 2HD LYS 126 6.639 7.325 -9.443 368 HD3 LYS 126 1HD LYS 126 6.132 9.012 -9.538 369 HE2 LYS 126 2HE LYS 126 7.715 7.837 -7.235 370 HE3 LYS 126 1HE LYS 126 8.428 8.730 -8.578 371 HZ1 LYS 126 3HZ LYS 126 7.946 10.600 -7.528 372 HZ2 LYS 126 1HZ LYS 126 7.215 9.742 -6.260 373 HZ3 LYS 126 2HZ LYS 126 6.289 10.226 -7.600 374 H GLU 127 H GLU 127 2.189 4.987 -9.348 375 HA GLU 127 HA GLU 127 0.210 6.131 -11.048 376 HB2 GLU 127 2HB GLU 127 1.618 4.103 -11.536 377 HB3 GLU 127 1HB GLU 127 0.582 3.217 -10.431 378 HG2 GLU 127 2HG GLU 127 -0.316 2.881 -12.639 379 HG3 GLU 127 1HG GLU 127 -1.399 3.990 -11.802 380 H ALA 128 H ALA 128 0.130 4.323 -8.048 381 HA ALA 128 HA ALA 128 -2.718 3.937 -8.064 382 HB1 ALA 128 1HB ALA 128 -0.654 3.704 -5.876 383 HB2 ALA 128 2HB ALA 128 -1.439 2.400 -6.766 384 HB3 ALA 128 3HB ALA 128 -2.369 3.375 -5.622 385 H ASP 129 H ASP 129 -0.580 6.431 -6.871 386 HA ASP 129 HA ASP 129 -2.444 7.681 -5.156 387 HB2 ASP 129 2HB ASP 129 0.026 8.010 -5.161 388 HB3 ASP 129 1HB ASP 129 -0.160 9.032 -6.570 389 H LEU 130 H LEU 130 -4.327 8.379 -5.867 390 HA LEU 130 HA LEU 130 -4.559 9.553 -8.510 391 HB2 LEU 130 2HB LEU 130 -6.304 7.989 -7.669 392 HB3 LEU 130 1HB LEU 130 -6.719 9.165 -6.424 393 HG LEU 130 HG LEU 130 -7.227 10.831 -8.221 394 HD11 LEU 130 1HD1 LEU 130 -7.614 9.635 -10.549 395 HD12 LEU 130 2HD1 LEU 130 -6.388 8.517 -9.954 396 HD13 LEU 130 3HD1 LEU 130 -6.014 10.232 -10.125 397 HD21 LEU 130 3HD2 LEU 130 -9.331 9.761 -8.961 398 HD22 LEU 130 1HD2 LEU 130 -9.026 9.451 -7.250 399 HD23 LEU 130 2HD2 LEU 130 -8.710 8.192 -8.444 400 H ASP 131 H ASP 131 -4.564 10.583 -5.160 401 HA ASP 131 HA ASP 131 -5.590 13.212 -5.711 402 HB2 ASP 131 2HB ASP 131 -4.082 12.246 -3.280 403 HB3 ASP 131 1HB ASP 131 -5.092 13.683 -3.395 404 H GLY 132 H GLY 132 -2.539 11.764 -6.176 405 HA2 GLY 132 2HA GLY 132 -0.556 12.677 -6.891 406 HA3 GLY 132 1HA GLY 132 -1.390 14.221 -7.027 407 H ASP 133 H ASP 133 -1.257 12.402 -4.009 408 HA ASP 133 HA ASP 133 0.285 14.631 -2.815 409 HB2 ASP 133 2HB ASP 133 -0.501 13.678 -0.656 410 HB3 ASP 133 1HB ASP 133 -1.820 14.176 -1.715 411 H GLY 134 H GLY 134 0.626 11.424 -3.871 412 HA2 GLY 134 2HA GLY 134 2.654 10.243 -3.990 413 HA3 GLY 134 1HA GLY 134 3.310 11.279 -2.723 414 H GLN 135 H GLN 135 0.337 10.511 -1.665 415 HA GLN 135 HA GLN 135 1.308 8.173 -0.132 416 HB2 GLN 135 2HB GLN 135 -0.122 10.676 0.547 417 HB3 GLN 135 1HB GLN 135 -0.808 9.240 1.278 418 HG2 GLN 135 2HG GLN 135 1.239 8.672 2.340 419 HG3 GLN 135 1HG GLN 135 2.135 9.868 1.404 420 HE21 GLN 135 1HE2 GLN 135 2.539 10.246 4.018 421 HE22 GLN 135 2HE2 GLN 135 1.575 11.487 4.656 422 H VAL 136 H VAL 136 0.099 6.349 -0.065 423 HA VAL 136 HA VAL 136 -2.124 6.163 -1.953 424 HB VAL 136 HB VAL 136 -0.695 4.174 -0.180 425 HG11 VAL 136 1HG1 VAL 136 -2.174 2.481 -1.449 426 HG12 VAL 136 2HG1 VAL 136 -3.220 3.855 -1.809 427 HG13 VAL 136 3HG1 VAL 136 -2.931 3.380 -0.135 428 HG21 VAL 136 3HG2 VAL 136 -0.155 3.165 -2.387 429 HG22 VAL 136 1HG2 VAL 136 0.463 4.808 -2.223 430 HG23 VAL 136 2HG2 VAL 136 -0.990 4.504 -3.174 431 H ASN 137 H ASN 137 -4.115 6.850 -1.300 432 HA ASN 137 HA ASN 137 -4.791 6.734 1.570 433 HB2 ASN 137 2HB ASN 137 -5.144 8.873 0.413 434 HB3 ASN 137 1HB ASN 137 -6.210 8.082 -0.743 435 HD21 ASN 137 1HD2 ASN 137 -5.876 8.489 2.836 436 HD22 ASN 137 2HD2 ASN 137 -7.547 8.587 3.120 437 H TYR 138 H TYR 138 -7.203 6.199 1.967 438 HA TYR 138 HA TYR 138 -7.658 3.522 1.487 439 HB2 TYR 138 2HB TYR 138 -8.907 4.849 3.148 440 HB3 TYR 138 1HB TYR 138 -9.769 5.665 1.841 441 HD1 TYR 138 1HD TYR 138 -9.061 2.278 3.262 442 HD2 TYR 138 2HD TYR 138 -11.704 4.701 0.899 443 HE1 TYR 138 1HE TYR 138 -10.695 0.417 3.180 444 HE2 TYR 138 2HE TYR 138 -13.339 2.841 0.818 445 HH TYR 138 HH TYR 138 -13.906 0.831 2.153 446 H GLU 139 H GLU 139 -9.022 6.260 -0.398 447 HA GLU 139 HA GLU 139 -10.498 4.689 -2.210 448 HB2 GLU 139 2HB GLU 139 -10.756 7.135 -1.959 449 HB3 GLU 139 1HB GLU 139 -9.177 7.367 -2.710 450 HG2 GLU 139 2HG GLU 139 -9.978 6.278 -4.764 451 HG3 GLU 139 1HG GLU 139 -11.547 5.994 -4.012 452 H GLU 140 H GLU 140 -7.141 5.881 -2.432 453 HA GLU 140 HA GLU 140 -6.709 4.729 -4.989 454 HB2 GLU 140 2HB GLU 140 -4.759 5.586 -2.880 455 HB3 GLU 140 1HB GLU 140 -4.322 5.124 -4.496 456 HG2 GLU 140 2HG GLU 140 -5.349 6.985 -5.477 457 HG3 GLU 140 1HG GLU 140 -6.414 7.241 -4.114 458 H PHE 141 H PHE 141 -6.127 3.630 -1.673 459 HA PHE 141 HA PHE 141 -4.737 1.265 -2.322 460 HB2 PHE 141 2HB PHE 141 -4.937 2.211 -0.019 461 HB3 PHE 141 1HB PHE 141 -6.626 1.715 0.006 462 HD1 PHE 141 1HD PHE 141 -3.176 0.361 -0.553 463 HD2 PHE 141 2HD PHE 141 -7.197 -0.449 0.723 464 HE1 PHE 141 1HE PHE 141 -2.490 -1.910 0.169 465 HE2 PHE 141 2HE PHE 141 -6.512 -2.720 1.443 466 HZ PHE 141 HZ PHE 141 -4.158 -3.450 1.166 467 H VAL 142 H VAL 142 -8.205 1.872 -1.765 468 HA VAL 142 HA VAL 142 -9.093 -0.747 -2.310 469 HB VAL 142 HB VAL 142 -10.436 1.952 -2.584 470 HG11 VAL 142 1HG1 VAL 142 -12.567 0.500 -2.629 471 HG12 VAL 142 2HG1 VAL 142 -11.505 -0.827 -3.099 472 HG13 VAL 142 3HG1 VAL 142 -11.633 0.603 -4.122 473 HG21 VAL 142 3HG2 VAL 142 -11.660 1.133 -0.572 474 HG22 VAL 142 1HG2 VAL 142 -9.926 1.260 -0.293 475 HG23 VAL 142 2HG2 VAL 142 -10.656 -0.316 -0.578 476 H LYS 143 H LYS 143 -8.743 2.106 -4.410 477 HA LYS 143 HA LYS 143 -9.644 0.916 -6.791 478 HB2 LYS 143 2HB LYS 143 -9.303 3.353 -6.366 479 HB3 LYS 143 1HB LYS 143 -7.572 3.096 -6.451 480 HG2 LYS 143 2HG LYS 143 -7.766 2.275 -8.752 481 HG3 LYS 143 1HG LYS 143 -9.522 2.418 -8.679 482 HD2 LYS 143 2HD LYS 143 -9.298 4.858 -8.311 483 HD3 LYS 143 1HD LYS 143 -7.545 4.704 -8.433 484 HE2 LYS 143 2HE LYS 143 -9.467 3.866 -10.622 485 HE3 LYS 143 1HE LYS 143 -8.652 5.430 -10.575 486 HZ1 LYS 143 3HZ LYS 143 -7.664 3.122 -11.650 487 HZ2 LYS 143 1HZ LYS 143 -6.843 3.258 -10.173 488 HZ3 LYS 143 2HZ LYS 143 -6.775 4.527 -11.301 489 H MET 144 H MET 144 -6.387 1.269 -5.420 490 HA MET 144 HA MET 144 -4.969 -0.036 -7.501 491 HB2 MET 144 2HB MET 144 -3.970 1.324 -5.620 492 HB3 MET 144 1HB MET 144 -4.251 -0.057 -4.581 493 HG2 MET 144 2HG MET 144 -2.796 -1.462 -5.938 494 HG3 MET 144 1HG MET 144 -2.595 -0.168 -7.120 495 HE1 MET 144 3HE MET 144 -2.520 0.397 -3.016 496 HE2 MET 144 1HE MET 144 -1.004 -0.503 -2.870 497 HE3 MET 144 2HE MET 144 -2.416 -1.262 -3.601 498 H MET 145 H MET 145 -6.508 -1.144 -4.555 499 HA MET 145 HA MET 145 -5.630 -3.839 -4.735 500 HB2 MET 145 2HB MET 145 -6.537 -2.859 -2.644 501 HB3 MET 145 1HB MET 145 -8.131 -2.775 -3.393 502 HG2 MET 145 2HG MET 145 -7.973 -4.800 -2.023 503 HG3 MET 145 1HG MET 145 -8.076 -5.251 -3.721 504 HE1 MET 145 3HE MET 145 -4.646 -5.755 -0.781 505 HE2 MET 145 1HE MET 145 -6.374 -6.019 -0.510 506 HE3 MET 145 2HE MET 145 -5.763 -4.392 -0.802 507 H MET 146 H MET 146 -8.389 -2.100 -6.053 508 HA MET 146 HA MET 146 -9.844 -4.358 -6.960 509 HB2 MET 146 2HB MET 146 -9.783 -1.453 -7.759 510 HB3 MET 146 1HB MET 146 -10.770 -2.613 -8.649 511 HG2 MET 146 2HG MET 146 -11.998 -3.204 -6.657 512 HG3 MET 146 1HG MET 146 -10.920 -2.251 -5.643 513 HE1 MET 146 3HE MET 146 -14.300 -0.885 -8.374 514 HE2 MET 146 1HE MET 146 -14.045 -2.461 -7.612 515 HE3 MET 146 2HE MET 146 -13.014 -1.946 -8.945 516 H THR 147 H THR 147 -7.290 -2.377 -8.412 517 HA THR 147 HA THR 147 -7.299 -3.287 -11.009 518 HB THR 147 HB THR 147 -4.805 -2.879 -9.342 519 HG1 THR 147 1HG THR 147 -5.037 -0.725 -9.870 520 HG21 THR 147 3HG2 THR 147 -5.422 -2.783 -12.297 521 HG22 THR 147 1HG2 THR 147 -4.192 -3.736 -11.469 522 HG23 THR 147 2HG2 THR 147 -4.005 -1.989 -11.614 523 H VAL 148 H VAL 148 -6.743 -5.101 -8.171 524 HA VAL 148 HA VAL 148 -5.204 -7.199 -9.458 525 HB VAL 148 HB VAL 148 -6.562 -7.246 -6.751 526 HG11 VAL 148 1HG1 VAL 148 -4.624 -8.837 -6.305 527 HG12 VAL 148 2HG1 VAL 148 -4.332 -8.840 -8.043 528 HG13 VAL 148 3HG1 VAL 148 -5.858 -9.446 -7.401 529 HG21 VAL 148 3HG2 VAL 148 -4.284 -6.564 -5.917 530 HG22 VAL 148 1HG2 VAL 148 -5.102 -5.304 -6.841 531 HG23 VAL 148 2HG2 VAL 148 -3.818 -6.254 -7.589 532 H ARG 149 H ARG 149 -8.394 -6.285 -9.556 533 HA ARG 149 HA ARG 149 -9.438 -9.047 -9.720 534 HB2 ARG 149 2HB ARG 149 -10.813 -6.355 -9.650 535 HB3 ARG 149 1HB ARG 149 -11.655 -7.883 -9.912 536 HG2 ARG 149 2HG ARG 149 -10.849 -8.730 -7.759 537 HG3 ARG 149 1HG ARG 149 -9.935 -7.245 -7.495 538 HD2 ARG 149 2HD ARG 149 -12.044 -5.951 -7.552 539 HD3 ARG 149 1HD ARG 149 -12.946 -7.446 -7.781 540 HE ARG 149 HE ARG 149 -11.410 -7.786 -5.477 541 HH11 ARG 149 1HH2 ARG 149 -13.897 -5.721 -6.690 542 HH12 ARG 149 2HH2 ARG 149 -14.608 -5.425 -5.139 543 HH21 ARG 149 1HH1 ARG 149 -12.332 -7.408 -3.427 544 HH22 ARG 149 2HH1 ARG 149 -13.721 -6.381 -3.288 Start of MODEL 19 1 H1 ASP 80 1HT ASP 80 -19.224 -8.336 3.866 2 H2 ASP 80 2HT ASP 80 -19.061 -6.659 4.087 3 H3 ASP 80 3HT ASP 80 -19.976 -7.579 5.183 4 HA ASP 80 HA ASP 80 -17.988 -7.225 6.303 5 HB2 ASP 80 2HB ASP 80 -17.970 -9.880 4.867 6 HB3 ASP 80 1HB ASP 80 -16.836 -9.485 6.157 7 H ALA 81 H ALA 81 -17.625 -7.549 2.869 8 HA ALA 81 HA ALA 81 -14.849 -7.647 2.597 9 HB1 ALA 81 1HB ALA 81 -15.159 -6.615 0.420 10 HB2 ALA 81 2HB ALA 81 -16.754 -6.028 0.893 11 HB3 ALA 81 3HB ALA 81 -16.470 -7.759 0.710 12 H GLU 82 H GLU 82 -16.950 -4.789 2.966 13 HA GLU 82 HA GLU 82 -14.875 -2.883 2.925 14 HB2 GLU 82 2HB GLU 82 -17.531 -2.671 2.889 15 HB3 GLU 82 1HB GLU 82 -17.254 -2.339 4.601 16 HG2 GLU 82 2HG GLU 82 -15.887 -0.946 2.295 17 HG3 GLU 82 1HG GLU 82 -17.187 -0.271 3.270 18 H GLU 83 H GLU 83 -16.041 -4.993 5.423 19 HA GLU 83 HA GLU 83 -14.831 -3.542 7.601 20 HB2 GLU 83 2HB GLU 83 -15.775 -6.411 7.405 21 HB3 GLU 83 1HB GLU 83 -15.221 -5.643 8.888 22 HG2 GLU 83 2HG GLU 83 -16.996 -3.956 8.702 23 HG3 GLU 83 1HG GLU 83 -17.537 -4.677 7.185 24 H GLU 84 H GLU 84 -14.038 -6.790 6.327 25 HA GLU 84 HA GLU 84 -11.546 -7.057 7.433 26 HB2 GLU 84 2HB GLU 84 -12.427 -7.942 4.676 27 HB3 GLU 84 1HB GLU 84 -10.982 -8.525 5.503 28 HG2 GLU 84 2HG GLU 84 -13.800 -8.748 6.599 29 HG3 GLU 84 1HG GLU 84 -12.935 -10.053 5.787 30 H LEU 85 H LEU 85 -12.323 -5.356 4.379 31 HA LEU 85 HA LEU 85 -9.659 -4.738 3.700 32 HB2 LEU 85 2HB LEU 85 -11.949 -4.434 2.397 33 HB3 LEU 85 1HB LEU 85 -11.852 -2.809 3.071 34 HG LEU 85 HG LEU 85 -9.674 -4.168 1.450 35 HD11 LEU 85 1HD1 LEU 85 -10.318 -2.789 -0.371 36 HD12 LEU 85 2HD1 LEU 85 -11.352 -1.787 0.646 37 HD13 LEU 85 3HD1 LEU 85 -11.833 -3.439 0.258 38 HD21 LEU 85 3HD2 LEU 85 -8.488 -2.640 2.776 39 HD22 LEU 85 1HD2 LEU 85 -9.856 -1.544 2.910 40 HD23 LEU 85 2HD2 LEU 85 -8.921 -1.608 1.418 41 H LYS 86 H LYS 86 -12.051 -2.920 5.623 42 HA LYS 86 HA LYS 86 -10.426 -0.665 6.085 43 HB2 LYS 86 2HB LYS 86 -12.905 -0.915 6.585 44 HB3 LYS 86 1HB LYS 86 -12.428 -1.766 8.054 45 HG2 LYS 86 2HG LYS 86 -10.975 0.249 8.606 46 HG3 LYS 86 1HG LYS 86 -11.783 1.089 7.287 47 HD2 LYS 86 2HD LYS 86 -13.279 -0.239 9.558 48 HD3 LYS 86 1HD LYS 86 -12.810 1.460 9.578 49 HE2 LYS 86 2HE LYS 86 -14.001 1.648 7.309 50 HE3 LYS 86 1HE LYS 86 -14.704 0.072 7.677 51 HZ1 LYS 86 3HZ LYS 86 -16.095 1.974 8.373 52 HZ2 LYS 86 1HZ LYS 86 -14.880 2.436 9.462 53 HZ3 LYS 86 2HZ LYS 86 -15.673 0.946 9.658 54 H GLU 87 H GLU 87 -10.627 -3.796 7.748 55 HA GLU 87 HA GLU 87 -8.954 -3.056 9.927 56 HB2 GLU 87 2HB GLU 87 -10.551 -5.082 9.706 57 HB3 GLU 87 1HB GLU 87 -9.207 -5.843 8.865 58 HG2 GLU 87 2HG GLU 87 -8.995 -4.603 11.602 59 HG3 GLU 87 1HG GLU 87 -9.242 -6.323 11.314 60 H ALA 88 H ALA 88 -8.326 -4.881 6.913 61 HA ALA 88 HA ALA 88 -5.620 -5.311 7.273 62 HB1 ALA 88 1HB ALA 88 -5.518 -5.833 5.010 63 HB2 ALA 88 2HB ALA 88 -6.639 -4.548 4.560 64 HB3 ALA 88 3HB ALA 88 -7.243 -6.011 5.336 65 H PHE 89 H PHE 89 -7.234 -2.487 5.817 66 HA PHE 89 HA PHE 89 -4.949 -1.008 5.166 67 HB2 PHE 89 2HB PHE 89 -7.205 -0.370 4.441 68 HB3 PHE 89 1HB PHE 89 -7.636 0.004 6.110 69 HD1 PHE 89 1HD PHE 89 -6.542 1.912 7.292 70 HD2 PHE 89 2HD PHE 89 -5.838 1.128 3.136 71 HE1 PHE 89 1HE PHE 89 -5.561 4.167 7.038 72 HE2 PHE 89 2HE PHE 89 -4.862 3.384 2.872 73 HZ PHE 89 HZ PHE 89 -4.725 4.910 4.824 74 H LYS 90 H LYS 90 -6.770 -1.222 8.223 75 HA LYS 90 HA LYS 90 -5.337 0.757 9.620 76 HB2 LYS 90 2HB LYS 90 -7.481 -0.269 10.373 77 HB3 LYS 90 1HB LYS 90 -6.597 -1.745 10.760 78 HG2 LYS 90 2HG LYS 90 -5.162 -0.467 12.322 79 HG3 LYS 90 1HG LYS 90 -6.080 0.996 11.958 80 HD2 LYS 90 2HD LYS 90 -7.291 -1.547 13.086 81 HD3 LYS 90 1HD LYS 90 -6.847 -0.141 14.054 82 HE2 LYS 90 2HE LYS 90 -9.055 0.386 13.653 83 HE3 LYS 90 1HE LYS 90 -8.334 1.113 12.216 84 HZ1 LYS 90 3HZ LYS 90 -9.791 -0.180 11.139 85 HZ2 LYS 90 1HZ LYS 90 -10.018 -1.222 12.457 86 HZ3 LYS 90 2HZ LYS 90 -8.677 -1.429 11.435 87 H VAL 91 H VAL 91 -4.599 -2.621 8.925 88 HA VAL 91 HA VAL 91 -2.475 -2.839 10.833 89 HB VAL 91 HB VAL 91 -3.036 -4.434 8.330 90 HG11 VAL 91 1HG1 VAL 91 -0.727 -4.746 8.898 91 HG12 VAL 91 2HG1 VAL 91 -1.591 -6.140 9.546 92 HG13 VAL 91 3HG1 VAL 91 -1.097 -4.831 10.621 93 HG21 VAL 91 3HG2 VAL 91 -3.519 -5.190 11.217 94 HG22 VAL 91 1HG2 VAL 91 -4.152 -5.972 9.769 95 HG23 VAL 91 2HG2 VAL 91 -4.747 -4.382 10.244 96 H PHE 92 H PHE 92 -2.580 -2.140 7.341 97 HA PHE 92 HA PHE 92 0.248 -1.900 7.044 98 HB2 PHE 92 2HB PHE 92 -1.717 -0.361 5.361 99 HB3 PHE 92 1HB PHE 92 -0.165 -1.047 4.890 100 HD1 PHE 92 1HD PHE 92 -0.464 -3.767 6.196 101 HD2 PHE 92 2HD PHE 92 -3.162 -1.444 3.805 102 HE1 PHE 92 1HE PHE 92 -1.587 -5.832 5.451 103 HE2 PHE 92 2HE PHE 92 -4.291 -3.505 3.063 104 HZ PHE 92 HZ PHE 92 -3.509 -5.709 3.885 105 H ASP 93 H ASP 93 -2.280 0.358 7.992 106 HA ASP 93 HA ASP 93 -0.668 2.692 7.770 107 HB2 ASP 93 2HB ASP 93 -3.240 2.519 7.928 108 HB3 ASP 93 1HB ASP 93 -2.997 2.390 9.668 109 H LYS 94 H LYS 94 1.151 1.210 8.910 110 HA LYS 94 HA LYS 94 1.196 0.779 11.642 111 HB2 LYS 94 2HB LYS 94 3.006 0.315 9.815 112 HB3 LYS 94 1HB LYS 94 3.618 1.905 10.272 113 HG2 LYS 94 2HG LYS 94 3.874 1.207 12.584 114 HG3 LYS 94 1HG LYS 94 3.105 -0.343 12.240 115 HD2 LYS 94 2HD LYS 94 5.410 -0.850 12.180 116 HD3 LYS 94 1HD LYS 94 4.988 -0.646 10.479 117 HE2 LYS 94 2HE LYS 94 5.883 1.584 10.437 118 HE3 LYS 94 1HE LYS 94 6.073 1.601 12.191 119 HZ1 LYS 94 3HZ LYS 94 7.735 -0.090 12.043 120 HZ2 LYS 94 1HZ LYS 94 8.159 1.160 10.979 121 HZ3 LYS 94 2HZ LYS 94 7.481 -0.275 10.374 122 H ASP 95 H ASP 95 2.088 3.788 9.928 123 HA ASP 95 HA ASP 95 2.650 5.247 12.301 124 HB2 ASP 95 2HB ASP 95 1.746 6.519 9.724 125 HB3 ASP 95 1HB ASP 95 2.901 7.119 10.907 126 H GLN 96 H GLN 96 -0.228 4.092 11.033 127 HA GLN 96 HA GLN 96 -2.445 4.599 11.394 128 HB2 GLN 96 2HB GLN 96 -1.431 4.231 13.761 129 HB3 GLN 96 1HB GLN 96 -1.580 5.980 13.924 130 HG2 GLN 96 2HG GLN 96 -3.609 5.029 14.814 131 HG3 GLN 96 1HG GLN 96 -4.016 5.729 13.252 132 HE21 GLN 96 1HE2 GLN 96 -5.728 4.281 12.697 133 HE22 GLN 96 2HE2 GLN 96 -5.483 2.619 12.463 134 H ASN 97 H ASN 97 -0.882 6.588 9.902 135 HA ASN 97 HA ASN 97 -1.947 9.161 10.832 136 HB2 ASN 97 2HB ASN 97 -0.574 10.131 9.050 137 HB3 ASN 97 1HB ASN 97 0.388 9.064 10.074 138 HD21 ASN 97 1HD2 ASN 97 1.085 9.686 7.314 139 HD22 ASN 97 2HD2 ASN 97 0.980 8.237 6.435 140 H GLY 98 H GLY 98 -3.329 6.718 9.264 141 HA2 GLY 98 2HA GLY 98 -5.327 6.714 8.065 142 HA3 GLY 98 1HA GLY 98 -5.195 8.460 7.882 143 H TYR 99 H TYR 99 -2.248 7.532 6.968 144 HA TYR 99 HA TYR 99 -3.007 6.930 4.156 145 HB2 TYR 99 2HB TYR 99 -1.085 8.997 5.222 146 HB3 TYR 99 1HB TYR 99 -0.986 8.386 3.571 147 HD1 TYR 99 1HD TYR 99 -3.371 9.917 6.011 148 HD2 TYR 99 2HD TYR 99 -2.371 9.268 1.885 149 HE1 TYR 99 1HE TYR 99 -5.198 11.438 5.326 150 HE2 TYR 99 2HE TYR 99 -4.198 10.790 1.203 151 HH TYR 99 HH TYR 99 -5.817 12.832 3.422 152 H ILE 100 H ILE 100 -1.841 5.276 3.221 153 HA ILE 100 HA ILE 100 0.142 3.945 4.901 154 HB ILE 100 HB ILE 100 -0.679 3.213 2.091 155 HG12 ILE 100 2HG1 ILE 100 -1.862 2.214 4.714 156 HG13 ILE 100 1HG1 ILE 100 -2.655 3.339 3.612 157 HG21 ILE 100 1HG2 ILE 100 0.108 0.977 2.804 158 HG22 ILE 100 2HG2 ILE 100 0.560 1.646 4.370 159 HG23 ILE 100 3HG2 ILE 100 1.390 2.182 2.909 160 HD11 ILE 100 3HD1 ILE 100 -3.420 1.023 3.225 161 HD12 ILE 100 1HD1 ILE 100 -1.759 0.534 2.898 162 HD13 ILE 100 2HD1 ILE 100 -2.579 1.657 1.810 163 H SER 101 H SER 101 2.268 4.283 4.773 164 HA SER 101 HA SER 101 3.315 6.127 2.732 165 HB2 SER 101 2HB SER 101 4.087 6.519 4.964 166 HB3 SER 101 1HB SER 101 4.532 4.829 5.177 167 HG SER 101 HG SER 101 5.885 5.396 3.156 168 H ALA 102 H ALA 102 5.184 5.618 1.407 169 HA ALA 102 HA ALA 102 5.007 3.222 -0.001 170 HB1 ALA 102 1HB ALA 102 6.256 5.324 -0.680 171 HB2 ALA 102 2HB ALA 102 7.074 3.802 -1.038 172 HB3 ALA 102 3HB ALA 102 7.576 4.768 0.350 173 H SER 103 H SER 103 7.140 4.038 2.745 174 HA SER 103 HA SER 103 8.592 1.639 2.806 175 HB2 SER 103 2HB SER 103 7.791 3.407 5.123 176 HB3 SER 103 1HB SER 103 9.057 2.184 5.153 177 HG SER 103 HG SER 103 10.212 3.362 3.669 178 H GLU 104 H GLU 104 5.418 2.455 4.214 179 HA GLU 104 HA GLU 104 5.157 0.034 5.656 180 HB2 GLU 104 2HB GLU 104 3.162 2.085 4.696 181 HB3 GLU 104 1HB GLU 104 2.715 0.689 5.632 182 HG2 GLU 104 2HG GLU 104 4.345 1.389 7.392 183 HG3 GLU 104 1HG GLU 104 4.612 2.867 6.474 184 H LEU 105 H LEU 105 4.211 1.057 2.381 185 HA LEU 105 HA LEU 105 2.700 -1.239 1.732 186 HB2 LEU 105 2HB LEU 105 2.596 0.759 0.338 187 HB3 LEU 105 1HB LEU 105 4.311 0.645 -0.025 188 HG LEU 105 HG LEU 105 3.979 -1.423 -1.254 189 HD11 LEU 105 1HD1 LEU 105 1.520 -2.156 -1.629 190 HD12 LEU 105 2HD1 LEU 105 1.178 -1.221 -0.176 191 HD13 LEU 105 3HD1 LEU 105 2.288 -2.582 -0.100 192 HD21 LEU 105 3HD2 LEU 105 3.525 0.773 -2.408 193 HD22 LEU 105 1HD2 LEU 105 1.808 0.532 -2.115 194 HD23 LEU 105 2HD2 LEU 105 2.691 -0.588 -3.148 195 H ARG 106 H ARG 106 6.152 -0.508 1.388 196 HA ARG 106 HA ARG 106 6.907 -2.849 0.026 197 HB2 ARG 106 2HB ARG 106 8.462 -1.161 1.989 198 HB3 ARG 106 1HB ARG 106 9.170 -2.442 1.002 199 HG2 ARG 106 2HG ARG 106 8.506 -1.313 -1.020 200 HG3 ARG 106 1HG ARG 106 7.659 -0.065 -0.118 201 HD2 ARG 106 2HD ARG 106 9.793 0.811 -0.786 202 HD3 ARG 106 1HD ARG 106 9.828 0.537 0.954 203 HE ARG 106 HE ARG 106 10.798 -1.752 -0.447 204 HH11 ARG 106 1HH2 ARG 106 11.550 1.464 0.522 205 HH12 ARG 106 2HH2 ARG 106 13.263 1.216 0.550 206 HH21 ARG 106 1HH1 ARG 106 13.051 -2.109 -0.422 207 HH22 ARG 106 2HH1 ARG 106 14.118 -0.815 0.014 208 H HIS 107 H HIS 107 6.709 -2.198 3.529 209 HA HIS 107 HA HIS 107 7.596 -4.693 4.429 210 HB2 HIS 107 2HB HIS 107 5.418 -3.017 5.700 211 HB3 HIS 107 1HB HIS 107 6.462 -4.193 6.502 212 HD1 HIS 107 1HD HIS 107 6.215 -0.852 6.722 213 HD2 HIS 107 2HD HIS 107 9.377 -3.180 5.320 214 HE1 HIS 107 1HE HIS 107 8.297 0.577 6.913 215 HE2 HIS 107 2HE HIS 107 10.234 -0.828 6.065 216 H VAL 108 H VAL 108 4.376 -3.641 3.398 217 HA VAL 108 HA VAL 108 3.012 -6.020 4.071 218 HB VAL 108 HB VAL 108 2.450 -3.975 1.916 219 HG11 VAL 108 1HG1 VAL 108 0.865 -6.336 2.935 220 HG12 VAL 108 2HG1 VAL 108 1.261 -5.934 1.267 221 HG13 VAL 108 3HG1 VAL 108 0.087 -4.960 2.155 222 HG21 VAL 108 3HG2 VAL 108 2.449 -3.261 4.361 223 HG22 VAL 108 1HG2 VAL 108 1.123 -4.395 4.607 224 HG23 VAL 108 2HG2 VAL 108 0.922 -3.025 3.515 225 H MET 109 H MET 109 4.565 -4.985 1.020 226 HA MET 109 HA MET 109 3.933 -7.276 -0.475 227 HB2 MET 109 2HB MET 109 6.067 -5.181 -0.619 228 HB3 MET 109 1HB MET 109 6.214 -6.613 -1.638 229 HG2 MET 109 2HG MET 109 4.943 -4.555 -2.589 230 HG3 MET 109 1HG MET 109 4.225 -6.150 -2.799 231 HE1 MET 109 3HE MET 109 1.715 -5.905 -2.877 232 HE2 MET 109 1HE MET 109 2.316 -4.325 -3.400 233 HE3 MET 109 2HE MET 109 0.953 -4.431 -2.288 234 H ILE 110 H ILE 110 6.733 -6.588 1.631 235 HA ILE 110 HA ILE 110 8.092 -9.026 1.127 236 HB ILE 110 HB ILE 110 8.120 -7.181 3.521 237 HG12 ILE 110 2HG1 ILE 110 10.193 -7.627 1.354 238 HG13 ILE 110 1HG1 ILE 110 8.954 -6.375 1.252 239 HG21 ILE 110 1HG2 ILE 110 10.369 -8.418 3.907 240 HG22 ILE 110 2HG2 ILE 110 9.685 -9.683 2.885 241 HG23 ILE 110 3HG2 ILE 110 8.887 -9.242 4.393 242 HD11 ILE 110 3HD1 ILE 110 10.833 -6.640 3.611 243 HD12 ILE 110 1HD1 ILE 110 9.769 -5.286 3.228 244 HD13 ILE 110 2HD1 ILE 110 11.178 -5.615 2.219 245 H ASN 111 H ASN 111 5.674 -8.092 3.563 246 HA ASN 111 HA ASN 111 5.707 -10.543 4.986 247 HB2 ASN 111 2HB ASN 111 4.708 -8.571 5.961 248 HB3 ASN 111 1HB ASN 111 3.517 -8.483 4.671 249 HD21 ASN 111 1HD2 ASN 111 3.606 -9.252 7.823 250 HD22 ASN 111 2HD2 ASN 111 2.520 -10.557 7.871 251 H LEU 112 H LEU 112 3.942 -9.444 2.142 252 HA LEU 112 HA LEU 112 2.197 -11.698 2.011 253 HB2 LEU 112 2HB LEU 112 2.857 -9.376 0.317 254 HB3 LEU 112 1HB LEU 112 2.362 -10.800 -0.585 255 HG LEU 112 HG LEU 112 0.474 -9.237 0.084 256 HD11 LEU 112 1HD1 LEU 112 -1.021 -10.999 0.368 257 HD12 LEU 112 2HD1 LEU 112 0.064 -11.878 1.435 258 HD13 LEU 112 3HD1 LEU 112 0.376 -11.844 -0.298 259 HD21 LEU 112 3HD2 LEU 112 0.540 -10.401 2.817 260 HD22 LEU 112 1HD2 LEU 112 -0.012 -8.815 2.280 261 HD23 LEU 112 2HD2 LEU 112 1.713 -9.125 2.482 262 H GLY 113 H GLY 113 5.476 -11.515 1.612 263 HA2 GLY 113 2HA GLY 113 6.914 -13.285 1.043 264 HA3 GLY 113 1HA GLY 113 5.539 -14.135 0.345 265 H GLU 114 H GLU 114 5.814 -10.869 -0.628 266 HA GLU 114 HA GLU 114 7.092 -11.668 -3.192 267 HB2 GLU 114 2HB GLU 114 5.647 -9.925 -4.247 268 HB3 GLU 114 1HB GLU 114 4.731 -11.274 -3.576 269 HG2 GLU 114 2HG GLU 114 4.291 -9.949 -1.531 270 HG3 GLU 114 1HG GLU 114 5.182 -8.596 -2.227 271 H LYS 115 H LYS 115 8.694 -10.306 -3.962 272 HA LYS 115 HA LYS 115 9.198 -7.800 -2.453 273 HB2 LYS 115 2HB LYS 115 10.891 -10.171 -2.671 274 HB3 LYS 115 1HB LYS 115 11.701 -8.717 -3.256 275 HG2 LYS 115 2HG LYS 115 11.215 -7.551 -1.171 276 HG3 LYS 115 1HG LYS 115 10.282 -8.924 -0.586 277 HD2 LYS 115 2HD LYS 115 12.278 -10.332 -0.615 278 HD3 LYS 115 1HD LYS 115 13.228 -8.998 -1.270 279 HE2 LYS 115 2HE LYS 115 13.671 -8.912 1.048 280 HE3 LYS 115 1HE LYS 115 12.435 -7.678 0.812 281 HZ1 LYS 115 3HZ LYS 115 11.727 -8.940 2.635 282 HZ2 LYS 115 1HZ LYS 115 12.107 -10.414 1.887 283 HZ3 LYS 115 2HZ LYS 115 10.787 -9.499 1.334 284 H LEU 116 H LEU 116 8.949 -6.169 -3.873 285 HA LEU 116 HA LEU 116 9.786 -6.607 -6.687 286 HB2 LEU 116 2HB LEU 116 7.988 -4.427 -5.604 287 HB3 LEU 116 1HB LEU 116 8.247 -4.855 -7.296 288 HG LEU 116 HG LEU 116 7.003 -6.682 -5.217 289 HD11 LEU 116 1HD1 LEU 116 5.453 -4.907 -5.702 290 HD12 LEU 116 2HD1 LEU 116 4.928 -6.308 -6.628 291 HD13 LEU 116 3HD1 LEU 116 5.792 -4.996 -7.429 292 HD21 LEU 116 3HD2 LEU 116 8.015 -8.055 -6.849 293 HD22 LEU 116 1HD2 LEU 116 7.634 -6.936 -8.156 294 HD23 LEU 116 2HD2 LEU 116 6.354 -7.896 -7.414 295 H THR 117 H THR 117 10.968 -4.873 -7.747 296 HA THR 117 HA THR 117 13.011 -3.779 -6.082 297 HB THR 117 HB THR 117 13.795 -2.659 -8.118 298 HG1 THR 117 1HG THR 117 11.209 -2.775 -8.708 299 HG21 THR 117 3HG2 THR 117 12.718 -5.425 -8.737 300 HG22 THR 117 1HG2 THR 117 14.186 -5.107 -7.810 301 HG23 THR 117 2HG2 THR 117 14.095 -4.637 -9.507 302 H ASP 118 H ASP 118 13.506 -1.352 -6.017 303 HA ASP 118 HA ASP 118 11.324 0.024 -4.858 304 HB2 ASP 118 2HB ASP 118 13.771 0.449 -4.422 305 HB3 ASP 118 1HB ASP 118 13.826 1.293 -5.970 306 H GLU 119 H GLU 119 12.747 0.153 -8.106 307 HA GLU 119 HA GLU 119 11.351 2.368 -9.076 308 HB2 GLU 119 2HB GLU 119 12.270 -0.104 -10.528 309 HB3 GLU 119 1HB GLU 119 11.698 1.364 -11.317 310 HG2 GLU 119 2HG GLU 119 13.479 2.663 -10.214 311 HG3 GLU 119 1HG GLU 119 14.035 1.202 -9.424 312 H GLU 120 H GLU 120 10.335 -1.025 -8.742 313 HA GLU 120 HA GLU 120 7.915 -0.679 -10.211 314 HB2 GLU 120 2HB GLU 120 8.798 -2.786 -8.223 315 HB3 GLU 120 1HB GLU 120 7.309 -2.869 -9.163 316 HG2 GLU 120 2HG GLU 120 10.066 -2.609 -10.367 317 HG3 GLU 120 1HG GLU 120 9.213 -4.128 -10.190 318 H VAL 121 H VAL 121 8.738 -0.768 -6.745 319 HA VAL 121 HA VAL 121 6.089 -0.354 -5.826 320 HB VAL 121 HB VAL 121 8.762 0.225 -4.538 321 HG11 VAL 121 1HG1 VAL 121 7.226 1.662 -3.416 322 HG12 VAL 121 2HG1 VAL 121 7.315 0.217 -2.409 323 HG13 VAL 121 3HG1 VAL 121 5.938 0.461 -3.483 324 HG21 VAL 121 3HG2 VAL 121 8.133 -2.159 -5.049 325 HG22 VAL 121 1HG2 VAL 121 6.723 -1.957 -4.014 326 HG23 VAL 121 2HG2 VAL 121 8.342 -1.834 -3.329 327 H GLU 122 H GLU 122 8.776 1.921 -6.434 328 HA GLU 122 HA GLU 122 7.369 4.241 -5.651 329 HB2 GLU 122 2HB GLU 122 9.671 3.856 -7.573 330 HB3 GLU 122 1HB GLU 122 9.067 5.435 -7.074 331 HG2 GLU 122 2HG GLU 122 9.528 4.888 -4.722 332 HG3 GLU 122 1HG GLU 122 10.102 3.289 -5.197 333 H GLN 123 H GLN 123 7.634 2.553 -8.754 334 HA GLN 123 HA GLN 123 6.172 4.528 -10.227 335 HB2 GLN 123 2HB GLN 123 7.708 2.870 -11.283 336 HB3 GLN 123 1HB GLN 123 6.550 1.597 -10.884 337 HG2 GLN 123 2HG GLN 123 6.164 2.301 -13.178 338 HG3 GLN 123 1HG GLN 123 4.811 2.840 -12.185 339 HE21 GLN 123 1HE2 GLN 123 8.076 4.319 -12.434 340 HE22 GLN 123 2HE2 GLN 123 7.517 5.807 -13.032 341 H MET 124 H MET 124 5.274 1.553 -8.502 342 HA MET 124 HA MET 124 2.610 1.450 -9.426 343 HB2 MET 124 2HB MET 124 3.779 -0.451 -8.354 344 HB3 MET 124 1HB MET 124 3.774 0.433 -6.829 345 HG2 MET 124 2HG MET 124 1.903 -1.103 -6.836 346 HG3 MET 124 1HG MET 124 1.289 0.542 -6.955 347 HE1 MET 124 3HE MET 124 1.156 -2.823 -10.007 348 HE2 MET 124 1HE MET 124 1.022 -2.919 -8.247 349 HE3 MET 124 2HE MET 124 2.556 -2.484 -8.998 350 H ILE 125 H ILE 125 4.127 2.998 -6.604 351 HA ILE 125 HA ILE 125 1.699 3.872 -5.413 352 HB ILE 125 HB ILE 125 4.541 4.885 -5.239 353 HG12 ILE 125 2HG1 ILE 125 2.812 3.265 -3.321 354 HG13 ILE 125 1HG1 ILE 125 4.112 2.624 -4.319 355 HG21 ILE 125 1HG2 ILE 125 2.043 5.790 -3.792 356 HG22 ILE 125 2HG2 ILE 125 3.200 6.780 -4.680 357 HG23 ILE 125 3HG2 ILE 125 3.658 6.058 -3.138 358 HD11 ILE 125 3HD1 ILE 125 5.552 4.477 -3.104 359 HD12 ILE 125 1HD1 ILE 125 5.221 2.944 -2.304 360 HD13 ILE 125 2HD1 ILE 125 4.280 4.376 -1.891 361 H LYS 126 H LYS 126 3.996 5.422 -7.597 362 HA LYS 126 HA LYS 126 2.647 7.899 -7.823 363 HB2 LYS 126 2HB LYS 126 4.545 6.481 -9.647 364 HB3 LYS 126 1HB LYS 126 3.943 8.102 -9.974 365 HG2 LYS 126 2HG LYS 126 4.838 8.876 -7.820 366 HG3 LYS 126 1HG LYS 126 5.412 7.248 -7.466 367 HD2 LYS 126 2HD LYS 126 6.877 7.321 -9.446 368 HD3 LYS 126 1HD LYS 126 6.303 8.949 -9.812 369 HE2 LYS 126 2HE LYS 126 7.170 9.745 -7.645 370 HE3 LYS 126 1HE LYS 126 7.755 8.122 -7.281 371 HZ1 LYS 126 3HZ LYS 126 9.623 8.883 -8.233 372 HZ2 LYS 126 1HZ LYS 126 8.831 10.122 -9.078 373 HZ3 LYS 126 2HZ LYS 126 8.823 8.537 -9.692 374 H GLU 127 H GLU 127 2.459 4.924 -9.731 375 HA GLU 127 HA GLU 127 0.555 5.931 -11.604 376 HB2 GLU 127 2HB GLU 127 2.070 3.943 -11.905 377 HB3 GLU 127 1HB GLU 127 0.978 3.061 -10.856 378 HG2 GLU 127 2HG GLU 127 0.217 2.601 -13.065 379 HG3 GLU 127 1HG GLU 127 -0.907 3.797 -12.421 380 H ALA 128 H ALA 128 0.354 4.339 -8.498 381 HA ALA 128 HA ALA 128 -2.533 3.957 -8.724 382 HB1 ALA 128 1HB ALA 128 -1.432 2.247 -7.513 383 HB2 ALA 128 2HB ALA 128 -2.289 3.216 -6.311 384 HB3 ALA 128 3HB ALA 128 -0.549 3.413 -6.525 385 H ASP 129 H ASP 129 -0.289 6.232 -7.304 386 HA ASP 129 HA ASP 129 -2.032 7.454 -5.458 387 HB2 ASP 129 2HB ASP 129 0.311 7.895 -5.449 388 HB3 ASP 129 1HB ASP 129 0.248 8.651 -7.027 389 H LEU 130 H LEU 130 -4.070 7.777 -6.304 390 HA LEU 130 HA LEU 130 -4.497 9.152 -8.773 391 HB2 LEU 130 2HB LEU 130 -6.219 7.651 -8.034 392 HB3 LEU 130 1HB LEU 130 -6.347 8.487 -6.491 393 HG LEU 130 HG LEU 130 -6.757 10.235 -8.846 394 HD11 LEU 130 1HD1 LEU 130 -9.117 9.409 -9.131 395 HD12 LEU 130 2HD1 LEU 130 -8.686 7.986 -8.187 396 HD13 LEU 130 3HD1 LEU 130 -7.895 8.292 -9.731 397 HD21 LEU 130 3HD2 LEU 130 -8.362 11.238 -7.424 398 HD22 LEU 130 1HD2 LEU 130 -7.081 10.717 -6.329 399 HD23 LEU 130 2HD2 LEU 130 -8.565 9.769 -6.468 400 H ASP 131 H ASP 131 -4.383 10.145 -5.393 401 HA ASP 131 HA ASP 131 -5.383 12.793 -5.908 402 HB2 ASP 131 2HB ASP 131 -3.794 11.862 -3.517 403 HB3 ASP 131 1HB ASP 131 -4.892 13.236 -3.609 404 H GLY 132 H GLY 132 -2.380 11.321 -6.519 405 HA2 GLY 132 2HA GLY 132 -0.382 12.214 -7.227 406 HA3 GLY 132 1HA GLY 132 -1.216 13.756 -7.380 407 H ASP 133 H ASP 133 -1.049 11.986 -4.317 408 HA ASP 133 HA ASP 133 0.502 14.232 -3.211 409 HB2 ASP 133 2HB ASP 133 -0.211 13.240 -1.003 410 HB3 ASP 133 1HB ASP 133 -1.542 13.806 -2.014 411 H GLY 134 H GLY 134 0.898 11.059 -4.288 412 HA2 GLY 134 2HA GLY 134 2.892 9.852 -4.398 413 HA3 GLY 134 1HA GLY 134 3.603 10.958 -3.224 414 H GLN 135 H GLN 135 0.626 10.117 -2.080 415 HA GLN 135 HA GLN 135 1.758 7.965 -0.390 416 HB2 GLN 135 2HB GLN 135 0.109 10.372 0.111 417 HB3 GLN 135 1HB GLN 135 -0.365 8.923 0.976 418 HG2 GLN 135 2HG GLN 135 1.772 8.705 2.005 419 HG3 GLN 135 1HG GLN 135 2.485 9.891 0.911 420 HE21 GLN 135 1HE2 GLN 135 2.115 12.167 1.367 421 HE22 GLN 135 2HE2 GLN 135 1.400 12.682 2.819 422 H VAL 136 H VAL 136 0.588 6.091 -0.092 423 HA VAL 136 HA VAL 136 -1.629 5.681 -1.957 424 HB VAL 136 HB VAL 136 -0.384 3.659 -0.107 425 HG11 VAL 136 1HG1 VAL 136 -2.479 2.908 -1.062 426 HG12 VAL 136 2HG1 VAL 136 -1.171 2.117 -1.943 427 HG13 VAL 136 3HG1 VAL 136 -2.007 3.488 -2.663 428 HG21 VAL 136 3HG2 VAL 136 1.350 4.722 -1.517 429 HG22 VAL 136 1HG2 VAL 136 0.385 4.362 -2.948 430 HG23 VAL 136 2HG2 VAL 136 1.065 3.047 -1.988 431 H ASN 137 H ASN 137 -3.510 6.608 -1.066 432 HA ASN 137 HA ASN 137 -4.046 6.114 1.791 433 HB2 ASN 137 2HB ASN 137 -4.226 8.443 0.721 434 HB3 ASN 137 1HB ASN 137 -5.675 7.846 -0.077 435 HD21 ASN 137 1HD2 ASN 137 -6.981 9.390 1.195 436 HD22 ASN 137 2HD2 ASN 137 -7.325 9.071 2.827 437 H TYR 138 H TYR 138 -6.720 6.039 1.988 438 HA TYR 138 HA TYR 138 -7.390 3.428 1.375 439 HB2 TYR 138 2HB TYR 138 -8.535 4.974 3.017 440 HB3 TYR 138 1HB TYR 138 -9.397 5.646 1.639 441 HD1 TYR 138 1HD TYR 138 -8.739 2.485 3.489 442 HD2 TYR 138 2HD TYR 138 -11.239 4.530 0.662 443 HE1 TYR 138 1HE TYR 138 -10.357 0.614 3.563 444 HE2 TYR 138 2HE TYR 138 -12.860 2.656 0.740 445 HH TYR 138 HH TYR 138 -13.411 0.778 2.643 446 H GLU 139 H GLU 139 -8.267 6.407 -0.440 447 HA GLU 139 HA GLU 139 -9.900 5.121 -2.342 448 HB2 GLU 139 2HB GLU 139 -9.788 7.589 -1.928 449 HB3 GLU 139 1HB GLU 139 -8.233 7.603 -2.752 450 HG2 GLU 139 2HG GLU 139 -9.274 6.731 -4.792 451 HG3 GLU 139 1HG GLU 139 -10.834 6.646 -3.975 452 H GLU 140 H GLU 140 -6.487 6.038 -2.599 453 HA GLU 140 HA GLU 140 -6.198 4.847 -5.160 454 HB2 GLU 140 2HB GLU 140 -3.645 4.870 -3.989 455 HB3 GLU 140 1HB GLU 140 -4.339 6.124 -5.005 456 HG2 GLU 140 2HG GLU 140 -4.904 6.000 -2.054 457 HG3 GLU 140 1HG GLU 140 -3.514 6.839 -2.715 458 H PHE 141 H PHE 141 -5.692 3.674 -1.858 459 HA PHE 141 HA PHE 141 -4.422 1.243 -2.552 460 HB2 PHE 141 2HB PHE 141 -4.603 2.229 -0.230 461 HB3 PHE 141 1HB PHE 141 -6.277 1.689 -0.207 462 HD1 PHE 141 2HD PHE 141 -2.879 0.329 -1.074 463 HD2 PHE 141 1HD PHE 141 -6.701 -0.385 0.763 464 HE1 PHE 141 2HE PHE 141 -2.131 -1.932 -0.400 465 HE2 PHE 141 1HE PHE 141 -5.949 -2.653 1.433 466 HZ PHE 141 HZ PHE 141 -3.665 -3.425 0.852 467 H VAL 142 H VAL 142 -7.839 2.005 -1.893 468 HA VAL 142 HA VAL 142 -8.859 -0.547 -2.463 469 HB VAL 142 HB VAL 142 -10.059 2.215 -2.643 470 HG11 VAL 142 1HG1 VAL 142 -11.336 1.042 -4.249 471 HG12 VAL 142 2HG1 VAL 142 -12.277 0.911 -2.761 472 HG13 VAL 142 3HG1 VAL 142 -11.300 -0.451 -3.310 473 HG21 VAL 142 3HG2 VAL 142 -9.742 1.551 -0.379 474 HG22 VAL 142 1HG2 VAL 142 -10.243 -0.105 -0.718 475 HG23 VAL 142 2HG2 VAL 142 -11.432 1.194 -0.714 476 H LYS 143 H LYS 143 -8.413 2.278 -4.543 477 HA LYS 143 HA LYS 143 -9.418 1.144 -6.929 478 HB2 LYS 143 2HB LYS 143 -8.982 3.561 -6.519 479 HB3 LYS 143 1HB LYS 143 -7.267 3.233 -6.595 480 HG2 LYS 143 2HG LYS 143 -7.492 2.399 -8.897 481 HG3 LYS 143 1HG LYS 143 -9.236 2.658 -8.829 482 HD2 LYS 143 2HD LYS 143 -8.871 5.074 -8.493 483 HD3 LYS 143 1HD LYS 143 -7.126 4.819 -8.550 484 HE2 LYS 143 2HE LYS 143 -7.953 5.578 -10.738 485 HE3 LYS 143 1HE LYS 143 -7.334 3.932 -10.849 486 HZ1 LYS 143 3HZ LYS 143 -9.296 3.390 -11.691 487 HZ2 LYS 143 1HZ LYS 143 -9.971 4.899 -11.310 488 HZ3 LYS 143 2HZ LYS 143 -9.969 3.654 -10.154 489 H MET 144 H MET 144 -6.091 1.429 -5.676 490 HA MET 144 HA MET 144 -4.851 -0.010 -7.796 491 HB2 MET 144 2HB MET 144 -3.701 1.407 -6.014 492 HB3 MET 144 1HB MET 144 -3.908 0.088 -4.913 493 HG2 MET 144 2HG MET 144 -2.571 -1.391 -6.313 494 HG3 MET 144 1HG MET 144 -2.432 -0.141 -7.550 495 HE1 MET 144 3HE MET 144 -2.065 0.605 -3.469 496 HE2 MET 144 1HE MET 144 -0.587 -0.367 -3.404 497 HE3 MET 144 2HE MET 144 -2.086 -1.073 -4.003 498 H MET 145 H MET 145 -6.215 -0.942 -4.685 499 HA MET 145 HA MET 145 -5.365 -3.604 -4.741 500 HB2 MET 145 2HB MET 145 -6.220 -2.582 -2.687 501 HB3 MET 145 1HB MET 145 -7.818 -2.430 -3.415 502 HG2 MET 145 2HG MET 145 -8.044 -4.843 -3.561 503 HG3 MET 145 1HG MET 145 -6.388 -5.079 -3.013 504 HE1 MET 145 3HE MET 145 -5.500 -4.229 -0.671 505 HE2 MET 145 1HE MET 145 -5.996 -5.920 -0.819 506 HE3 MET 145 2HE MET 145 -6.402 -5.002 0.629 507 H MET 146 H MET 146 -8.232 -1.991 -6.042 508 HA MET 146 HA MET 146 -9.582 -4.359 -6.845 509 HB2 MET 146 2HB MET 146 -9.771 -1.460 -7.654 510 HB3 MET 146 1HB MET 146 -10.743 -2.701 -8.448 511 HG2 MET 146 2HG MET 146 -11.744 -3.344 -6.326 512 HG3 MET 146 1HG MET 146 -10.688 -2.239 -5.450 513 HE1 MET 146 3HE MET 146 -13.843 -2.896 -7.226 514 HE2 MET 146 1HE MET 146 -13.039 -2.207 -8.644 515 HE3 MET 146 2HE MET 146 -14.413 -1.379 -7.916 516 H THR 147 H THR 147 -7.274 -2.196 -8.433 517 HA THR 147 HA THR 147 -7.418 -3.215 -11.023 518 HB THR 147 HB THR 147 -4.994 -2.149 -9.534 519 HG1 THR 147 1HG THR 147 -6.663 -0.823 -11.379 520 HG21 THR 147 3HG2 THR 147 -4.323 -1.545 -11.949 521 HG22 THR 147 1HG2 THR 147 -5.518 -2.744 -12.443 522 HG23 THR 147 2HG2 THR 147 -4.141 -3.228 -11.453 523 H VAL 148 H VAL 148 -6.278 -4.697 -8.156 524 HA VAL 148 HA VAL 148 -4.280 -6.416 -9.077 525 HB VAL 148 HB VAL 148 -6.411 -6.883 -6.980 526 HG11 VAL 148 1HG1 VAL 148 -5.544 -9.036 -7.496 527 HG12 VAL 148 2HG1 VAL 148 -4.606 -8.499 -6.102 528 HG13 VAL 148 3HG1 VAL 148 -3.910 -8.412 -7.722 529 HG21 VAL 148 3HG2 VAL 148 -3.509 -6.121 -6.615 530 HG22 VAL 148 1HG2 VAL 148 -4.802 -6.064 -5.418 531 HG23 VAL 148 2HG2 VAL 148 -4.785 -4.912 -6.754 532 H ARG 149 H ARG 149 -7.816 -6.900 -9.090 533 HA ARG 149 HA ARG 149 -7.791 -9.475 -10.203 534 HB2 ARG 149 2HB ARG 149 -9.832 -7.250 -10.368 535 HB3 ARG 149 1HB ARG 149 -10.116 -8.870 -11.003 536 HG2 ARG 149 2HG ARG 149 -9.742 -9.839 -8.777 537 HG3 ARG 149 1HG ARG 149 -9.383 -8.239 -8.126 538 HD2 ARG 149 2HD ARG 149 -11.652 -7.489 -8.664 539 HD3 ARG 149 1HD ARG 149 -12.016 -9.052 -9.386 540 HE ARG 149 HE ARG 149 -11.136 -9.325 -6.675 541 HH11 ARG 149 1HH2 ARG 149 -13.769 -8.459 -8.718 542 HH12 ARG 149 2HH2 ARG 149 -14.995 -8.890 -7.573 543 HH21 ARG 149 1HH1 ARG 149 -12.728 -9.903 -5.149 544 HH22 ARG 149 2HH1 ARG 149 -14.404 -9.711 -5.545 Start of MODEL 20 1 H1 ASP 80 1HT ASP 80 -18.702 -5.507 4.647 2 H2 ASP 80 2HT ASP 80 -19.418 -5.920 6.131 3 H3 ASP 80 3HT ASP 80 -19.851 -6.753 4.715 4 HA ASP 80 HA ASP 80 -17.715 -7.246 6.516 5 HB2 ASP 80 2HB ASP 80 -18.957 -8.658 4.152 6 HB3 ASP 80 1HB ASP 80 -17.642 -9.358 5.093 7 H ALA 81 H ALA 81 -17.857 -6.772 2.983 8 HA ALA 81 HA ALA 81 -15.154 -7.207 2.452 9 HB1 ALA 81 1HB ALA 81 -17.076 -6.835 0.784 10 HB2 ALA 81 2HB ALA 81 -15.504 -6.149 0.369 11 HB3 ALA 81 3HB ALA 81 -16.778 -5.110 1.013 12 H GLU 82 H GLU 82 -16.831 -4.145 3.235 13 HA GLU 82 HA GLU 82 -14.489 -2.565 3.165 14 HB2 GLU 82 2HB GLU 82 -16.840 -1.698 3.009 15 HB3 GLU 82 1HB GLU 82 -17.016 -2.022 4.736 16 HG2 GLU 82 2HG GLU 82 -16.371 0.269 4.530 17 HG3 GLU 82 1HG GLU 82 -14.958 -0.601 5.099 18 H GLU 83 H GLU 83 -16.037 -4.459 5.667 19 HA GLU 83 HA GLU 83 -14.657 -3.422 7.897 20 HB2 GLU 83 2HB GLU 83 -15.791 -6.158 7.361 21 HB3 GLU 83 1HB GLU 83 -15.028 -5.728 8.891 22 HG2 GLU 83 2HG GLU 83 -17.311 -4.165 7.656 23 HG3 GLU 83 1HG GLU 83 -17.512 -5.418 8.860 24 H GLU 84 H GLU 84 -13.959 -6.587 6.421 25 HA GLU 84 HA GLU 84 -11.446 -6.963 7.420 26 HB2 GLU 84 2HB GLU 84 -12.546 -7.708 4.698 27 HB3 GLU 84 1HB GLU 84 -10.975 -8.267 5.287 28 HG2 GLU 84 2HG GLU 84 -13.570 -8.670 6.797 29 HG3 GLU 84 1HG GLU 84 -12.878 -9.874 5.712 30 H LEU 85 H LEU 85 -12.236 -5.148 4.440 31 HA LEU 85 HA LEU 85 -9.553 -4.551 3.799 32 HB2 LEU 85 2HB LEU 85 -11.923 -4.157 2.529 33 HB3 LEU 85 1HB LEU 85 -11.626 -2.516 3.084 34 HG LEU 85 HG LEU 85 -9.694 -4.224 1.488 35 HD11 LEU 85 1HD1 LEU 85 -11.116 -1.727 0.580 36 HD12 LEU 85 2HD1 LEU 85 -11.806 -3.334 0.342 37 HD13 LEU 85 3HD1 LEU 85 -10.259 -2.920 -0.394 38 HD21 LEU 85 3HD2 LEU 85 -8.498 -1.989 1.255 39 HD22 LEU 85 1HD2 LEU 85 -8.423 -2.719 2.857 40 HD23 LEU 85 2HD2 LEU 85 -9.539 -1.391 2.544 41 H LYS 86 H LYS 86 -11.968 -2.799 5.742 42 HA LYS 86 HA LYS 86 -10.383 -0.514 6.231 43 HB2 LYS 86 2HB LYS 86 -12.831 -0.650 6.684 44 HB3 LYS 86 1HB LYS 86 -12.486 -1.705 8.054 45 HG2 LYS 86 2HG LYS 86 -11.184 0.042 9.132 46 HG3 LYS 86 1HG LYS 86 -11.360 1.087 7.721 47 HD2 LYS 86 2HD LYS 86 -13.821 1.088 8.053 48 HD3 LYS 86 1HD LYS 86 -13.609 0.097 9.497 49 HE2 LYS 86 2HE LYS 86 -12.252 1.866 10.534 50 HE3 LYS 86 1HE LYS 86 -12.418 2.854 9.082 51 HZ1 LYS 86 3HZ LYS 86 -14.736 3.043 9.420 52 HZ2 LYS 86 1HZ LYS 86 -14.006 3.387 10.913 53 HZ3 LYS 86 2HZ LYS 86 -14.733 1.874 10.653 54 H GLU 87 H GLU 87 -10.644 -3.632 7.890 55 HA GLU 87 HA GLU 87 -8.948 -2.907 10.073 56 HB2 GLU 87 2HB GLU 87 -10.545 -4.807 10.150 57 HB3 GLU 87 1HB GLU 87 -9.547 -5.667 8.972 58 HG2 GLU 87 2HG GLU 87 -7.646 -5.630 10.505 59 HG3 GLU 87 1HG GLU 87 -8.561 -4.669 11.665 60 H ALA 88 H ALA 88 -8.392 -4.780 7.089 61 HA ALA 88 HA ALA 88 -5.679 -5.311 7.468 62 HB1 ALA 88 1HB ALA 88 -7.297 -6.091 5.584 63 HB2 ALA 88 2HB ALA 88 -5.600 -5.864 5.200 64 HB3 ALA 88 3HB ALA 88 -6.772 -4.634 4.742 65 H PHE 89 H PHE 89 -7.223 -2.499 5.909 66 HA PHE 89 HA PHE 89 -4.903 -1.130 5.176 67 HB2 PHE 89 2HB PHE 89 -7.115 -0.417 4.435 68 HB3 PHE 89 1HB PHE 89 -7.562 -0.013 6.093 69 HD1 PHE 89 2HD PHE 89 -6.274 1.804 7.309 70 HD2 PHE 89 1HD PHE 89 -5.866 1.106 3.092 71 HE1 PHE 89 2HE PHE 89 -5.295 4.063 7.028 72 HE2 PHE 89 1HE PHE 89 -4.903 3.368 2.811 73 HZ PHE 89 HZ PHE 89 -4.612 4.845 4.777 74 H LYS 90 H LYS 90 -6.717 -1.079 8.233 75 HA LYS 90 HA LYS 90 -5.137 0.865 9.523 76 HB2 LYS 90 2HB LYS 90 -6.760 -1.435 10.640 77 HB3 LYS 90 1HB LYS 90 -6.026 -0.173 11.629 78 HG2 LYS 90 2HG LYS 90 -7.741 0.660 9.293 79 HG3 LYS 90 1HG LYS 90 -8.541 0.072 10.749 80 HD2 LYS 90 2HD LYS 90 -6.365 2.142 11.032 81 HD3 LYS 90 1HD LYS 90 -7.960 2.654 10.484 82 HE2 LYS 90 2HE LYS 90 -9.004 1.770 12.471 83 HE3 LYS 90 1HE LYS 90 -7.505 0.999 12.982 84 HZ1 LYS 90 3HZ LYS 90 -7.462 3.875 12.492 85 HZ2 LYS 90 1HZ LYS 90 -6.597 2.956 13.626 86 HZ3 LYS 90 2HZ LYS 90 -8.233 3.328 13.903 87 H VAL 91 H VAL 91 -4.653 -2.561 9.000 88 HA VAL 91 HA VAL 91 -2.572 -2.848 10.953 89 HB VAL 91 HB VAL 91 -3.344 -4.547 8.575 90 HG11 VAL 91 1HG1 VAL 91 -1.030 -5.005 8.965 91 HG12 VAL 91 2HG1 VAL 91 -1.916 -6.276 9.808 92 HG13 VAL 91 3HG1 VAL 91 -1.239 -4.923 10.714 93 HG21 VAL 91 3HG2 VAL 91 -4.291 -6.004 10.297 94 HG22 VAL 91 1HG2 VAL 91 -4.960 -4.383 10.477 95 HG23 VAL 91 2HG2 VAL 91 -3.691 -4.936 11.566 96 H PHE 92 H PHE 92 -2.592 -2.373 7.434 97 HA PHE 92 HA PHE 92 0.243 -2.365 7.148 98 HB2 PHE 92 2HB PHE 92 -1.637 -0.842 5.343 99 HB3 PHE 92 1HB PHE 92 -0.100 -1.599 4.934 100 HD1 PHE 92 2HD PHE 92 -0.458 -4.260 6.325 101 HD2 PHE 92 1HD PHE 92 -3.145 -1.951 3.893 102 HE1 PHE 92 2HE PHE 92 -1.649 -6.311 5.711 103 HE2 PHE 92 1HE PHE 92 -4.346 -4.017 3.276 104 HZ PHE 92 HZ PHE 92 -3.587 -6.213 4.181 105 H ASP 93 H ASP 93 -2.083 0.117 7.930 106 HA ASP 93 HA ASP 93 -0.140 2.236 7.632 107 HB2 ASP 93 2HB ASP 93 -2.655 2.444 7.261 108 HB3 ASP 93 1HB ASP 93 -2.799 2.454 9.017 109 H LYS 94 H LYS 94 1.126 0.600 9.255 110 HA LYS 94 HA LYS 94 0.717 0.530 11.961 111 HB2 LYS 94 2HB LYS 94 3.301 1.036 10.482 112 HB3 LYS 94 1HB LYS 94 3.235 0.744 12.220 113 HG2 LYS 94 2HG LYS 94 2.104 -1.417 11.803 114 HG3 LYS 94 1HG LYS 94 2.202 -1.127 10.065 115 HD2 LYS 94 2HD LYS 94 4.662 -1.049 10.210 116 HD3 LYS 94 1HD LYS 94 4.573 -1.325 11.949 117 HE2 LYS 94 2HE LYS 94 3.433 -3.491 11.529 118 HE3 LYS 94 1HE LYS 94 3.592 -3.219 9.794 119 HZ1 LYS 94 3HZ LYS 94 5.925 -3.317 9.936 120 HZ2 LYS 94 1HZ LYS 94 5.361 -4.629 10.851 121 HZ3 LYS 94 2HZ LYS 94 5.914 -3.226 11.633 122 H ASP 95 H ASP 95 1.773 3.316 10.063 123 HA ASP 95 HA ASP 95 2.332 5.020 12.274 124 HB2 ASP 95 2HB ASP 95 3.190 5.491 10.026 125 HB3 ASP 95 1HB ASP 95 1.540 5.707 9.463 126 H GLN 96 H GLN 96 -0.568 3.921 10.833 127 HA GLN 96 HA GLN 96 -2.782 4.444 11.161 128 HB2 GLN 96 2HB GLN 96 -1.551 5.361 13.765 129 HB3 GLN 96 1HB GLN 96 -3.289 5.379 13.480 130 HG2 GLN 96 2HG GLN 96 -3.266 2.965 13.049 131 HG3 GLN 96 1HG GLN 96 -1.514 2.927 13.258 132 HE21 GLN 96 1HE2 GLN 96 -4.301 2.221 14.902 133 HE22 GLN 96 2HE2 GLN 96 -3.768 2.486 16.493 134 H ASN 97 H ASN 97 -1.129 6.409 9.750 135 HA ASN 97 HA ASN 97 -2.176 8.997 10.655 136 HB2 ASN 97 2HB ASN 97 -0.801 9.887 8.773 137 HB3 ASN 97 1HB ASN 97 0.128 8.990 9.971 138 HD21 ASN 97 1HD2 ASN 97 -1.706 6.757 8.262 139 HD22 ASN 97 2HD2 ASN 97 -0.553 6.309 7.100 140 H GLY 98 H GLY 98 -3.531 6.554 9.031 141 HA2 GLY 98 2HA GLY 98 -5.510 6.561 7.808 142 HA3 GLY 98 1HA GLY 98 -5.373 8.308 7.647 143 H TYR 99 H TYR 99 -2.425 7.253 6.779 144 HA TYR 99 HA TYR 99 -3.144 6.706 3.951 145 HB2 TYR 99 2HB TYR 99 -1.222 8.777 5.027 146 HB3 TYR 99 1HB TYR 99 -1.136 8.179 3.372 147 HD1 TYR 99 2HD TYR 99 -3.507 9.674 5.849 148 HD2 TYR 99 1HD TYR 99 -2.515 9.099 1.714 149 HE1 TYR 99 2HE TYR 99 -5.330 11.218 5.199 150 HE2 TYR 99 1HE TYR 99 -4.343 10.649 1.065 151 HH TYR 99 HH TYR 99 -5.978 12.627 3.355 152 H ILE 100 H ILE 100 -1.871 5.128 2.987 153 HA ILE 100 HA ILE 100 0.093 3.804 4.704 154 HB ILE 100 HB ILE 100 -0.756 3.035 1.913 155 HG12 ILE 100 2HG1 ILE 100 -1.812 2.019 4.575 156 HG13 ILE 100 1HG1 ILE 100 -2.672 3.093 3.482 157 HG21 ILE 100 1HG2 ILE 100 0.139 0.830 2.603 158 HG22 ILE 100 2HG2 ILE 100 0.610 1.521 4.152 159 HG23 ILE 100 3HG2 ILE 100 1.377 2.081 2.668 160 HD11 ILE 100 3HD1 ILE 100 -1.800 0.246 2.935 161 HD12 ILE 100 1HD1 ILE 100 -2.400 1.332 1.681 162 HD13 ILE 100 2HD1 ILE 100 -3.451 0.857 3.016 163 H SER 101 H SER 101 2.217 4.156 4.562 164 HA SER 101 HA SER 101 3.228 5.917 2.424 165 HB2 SER 101 2HB SER 101 4.355 5.017 5.075 166 HB3 SER 101 1HB SER 101 5.325 5.885 3.889 167 HG SER 101 HG SER 101 3.123 6.735 5.396 168 H ALA 102 H ALA 102 5.368 5.416 1.450 169 HA ALA 102 HA ALA 102 5.379 2.969 0.125 170 HB1 ALA 102 1HB ALA 102 6.704 4.710 -0.797 171 HB2 ALA 102 2HB ALA 102 7.849 3.469 -0.287 172 HB3 ALA 102 3HB ALA 102 7.615 4.912 0.699 173 H SER 103 H SER 103 7.123 3.918 3.088 174 HA SER 103 HA SER 103 8.550 1.541 3.466 175 HB2 SER 103 2HB SER 103 7.434 3.428 5.545 176 HB3 SER 103 1HB SER 103 8.645 2.185 5.851 177 HG SER 103 HG SER 103 9.881 3.876 5.382 178 H GLU 104 H GLU 104 5.206 2.378 4.377 179 HA GLU 104 HA GLU 104 4.773 -0.083 5.758 180 HB2 GLU 104 2HB GLU 104 2.925 2.079 4.730 181 HB3 GLU 104 1HB GLU 104 2.388 0.677 5.621 182 HG2 GLU 104 2HG GLU 104 3.674 1.286 7.541 183 HG3 GLU 104 1HG GLU 104 4.490 2.556 6.671 184 H LEU 105 H LEU 105 4.083 1.176 2.491 185 HA LEU 105 HA LEU 105 2.513 -0.988 1.604 186 HB2 LEU 105 2HB LEU 105 3.087 1.351 0.495 187 HB3 LEU 105 1HB LEU 105 4.380 0.442 -0.273 188 HG LEU 105 HG LEU 105 2.462 0.429 -1.750 189 HD11 LEU 105 1HD1 LEU 105 2.394 -2.295 -0.471 190 HD12 LEU 105 2HD1 LEU 105 3.833 -1.727 -1.324 191 HD13 LEU 105 3HD1 LEU 105 2.301 -1.875 -2.178 192 HD21 LEU 105 3HD2 LEU 105 0.277 0.055 -1.123 193 HD22 LEU 105 1HD2 LEU 105 0.875 0.671 0.413 194 HD23 LEU 105 2HD2 LEU 105 0.706 -1.066 0.166 195 H ARG 106 H ARG 106 6.012 -0.424 1.371 196 HA ARG 106 HA ARG 106 6.591 -2.844 0.003 197 HB2 ARG 106 2HB ARG 106 8.906 -2.411 0.518 198 HB3 ARG 106 1HB ARG 106 8.132 -0.868 0.150 199 HG2 ARG 106 2HG ARG 106 7.809 -0.489 2.571 200 HG3 ARG 106 1HG ARG 106 8.697 -1.967 2.917 201 HD2 ARG 106 2HD ARG 106 10.631 -1.016 1.641 202 HD3 ARG 106 1HD ARG 106 9.746 0.506 1.552 203 HE ARG 106 HE ARG 106 10.147 0.839 3.838 204 HH11 ARG 106 1HH2 ARG 106 10.999 -2.340 2.796 205 HH12 ARG 106 2HH2 ARG 106 11.810 -2.763 4.266 206 HH21 ARG 106 1HH1 ARG 106 11.204 0.297 5.785 207 HH22 ARG 106 2HH1 ARG 106 11.926 -1.267 5.962 208 H HIS 107 H HIS 107 6.553 -1.978 3.456 209 HA HIS 107 HA HIS 107 7.539 -4.351 4.521 210 HB2 HIS 107 2HB HIS 107 7.066 -2.418 5.924 211 HB3 HIS 107 1HB HIS 107 5.338 -2.569 5.601 212 HD1 HIS 107 1HD HIS 107 4.272 -3.492 7.652 213 HD2 HIS 107 2HD HIS 107 7.907 -5.369 6.844 214 HE1 HIS 107 1HE HIS 107 4.530 -5.331 9.376 215 HE2 HIS 107 2HE HIS 107 6.742 -6.481 8.898 216 H VAL 108 H VAL 108 4.276 -3.562 3.411 217 HA VAL 108 HA VAL 108 3.080 -6.010 4.202 218 HB VAL 108 HB VAL 108 2.329 -3.986 2.085 219 HG11 VAL 108 1HG1 VAL 108 1.342 -6.008 1.322 220 HG12 VAL 108 2HG1 VAL 108 0.067 -5.212 2.242 221 HG13 VAL 108 3HG1 VAL 108 0.973 -6.544 2.960 222 HG21 VAL 108 3HG2 VAL 108 1.290 -4.654 4.851 223 HG22 VAL 108 1HG2 VAL 108 0.520 -3.511 3.754 224 HG23 VAL 108 2HG2 VAL 108 2.135 -3.184 4.377 225 H MET 109 H MET 109 4.718 -4.948 1.222 226 HA MET 109 HA MET 109 4.113 -7.230 -0.321 227 HB2 MET 109 2HB MET 109 6.374 -5.227 -0.397 228 HB3 MET 109 1HB MET 109 6.265 -6.551 -1.555 229 HG2 MET 109 2HG MET 109 4.036 -4.561 -1.051 230 HG3 MET 109 1HG MET 109 5.216 -4.404 -2.352 231 HE1 MET 109 3HE MET 109 3.251 -4.450 -4.291 232 HE2 MET 109 1HE MET 109 2.347 -4.247 -2.783 233 HE3 MET 109 2HE MET 109 1.815 -5.423 -3.983 234 H ILE 110 H ILE 110 6.876 -6.525 1.818 235 HA ILE 110 HA ILE 110 8.213 -8.976 1.328 236 HB ILE 110 HB ILE 110 8.312 -6.948 3.570 237 HG12 ILE 110 2HG1 ILE 110 10.767 -6.923 2.672 238 HG13 ILE 110 1HG1 ILE 110 10.124 -7.792 1.286 239 HG21 ILE 110 1HG2 ILE 110 9.642 -9.654 3.435 240 HG22 ILE 110 2HG2 ILE 110 8.766 -8.926 4.780 241 HG23 ILE 110 3HG2 ILE 110 10.365 -8.323 4.342 242 HD11 ILE 110 3HD1 ILE 110 8.528 -5.988 0.857 243 HD12 ILE 110 1HD1 ILE 110 10.162 -5.336 0.928 244 HD13 ILE 110 2HD1 ILE 110 9.078 -5.138 2.300 245 H ASN 111 H ASN 111 5.884 -7.982 3.812 246 HA ASN 111 HA ASN 111 5.896 -10.406 5.248 247 HB2 ASN 111 2HB ASN 111 4.891 -8.380 6.159 248 HB3 ASN 111 1HB ASN 111 3.671 -8.380 4.895 249 HD21 ASN 111 1HD2 ASN 111 4.881 -10.364 7.645 250 HD22 ASN 111 2HD2 ASN 111 3.390 -11.114 7.953 251 H LEU 112 H LEU 112 4.193 -9.361 2.357 252 HA LEU 112 HA LEU 112 2.477 -11.659 2.256 253 HB2 LEU 112 2HB LEU 112 3.148 -9.453 0.320 254 HB3 LEU 112 1HB LEU 112 2.161 -10.820 -0.160 255 HG LEU 112 HG LEU 112 1.553 -9.068 2.237 256 HD11 LEU 112 1HD1 LEU 112 1.441 -7.894 -0.031 257 HD12 LEU 112 2HD1 LEU 112 -0.055 -7.897 0.905 258 HD13 LEU 112 3HD1 LEU 112 0.145 -9.017 -0.442 259 HD21 LEU 112 3HD2 LEU 112 0.210 -11.426 0.927 260 HD22 LEU 112 1HD2 LEU 112 -0.811 -10.171 1.628 261 HD23 LEU 112 2HD2 LEU 112 0.347 -11.018 2.635 262 H GLY 113 H GLY 113 5.708 -11.309 1.759 263 HA2 GLY 113 2HA GLY 113 7.240 -12.936 1.055 264 HA3 GLY 113 1HA GLY 113 5.895 -13.879 0.418 265 H GLU 114 H GLU 114 5.932 -10.576 -0.481 266 HA GLU 114 HA GLU 114 6.975 -11.266 -3.181 267 HB2 GLU 114 2HB GLU 114 4.836 -9.291 -2.340 268 HB3 GLU 114 1HB GLU 114 5.518 -9.370 -3.964 269 HG2 GLU 114 2HG GLU 114 4.759 -11.684 -4.202 270 HG3 GLU 114 1HG GLU 114 4.147 -11.676 -2.549 271 H LYS 115 H LYS 115 8.650 -10.061 -3.943 272 HA LYS 115 HA LYS 115 9.355 -7.548 -2.521 273 HB2 LYS 115 2HB LYS 115 11.805 -8.345 -3.006 274 HB3 LYS 115 1HB LYS 115 10.947 -8.996 -1.610 275 HG2 LYS 115 2HG LYS 115 10.422 -11.027 -2.745 276 HG3 LYS 115 1HG LYS 115 10.898 -10.365 -4.306 277 HD2 LYS 115 2HD LYS 115 12.685 -11.804 -3.540 278 HD3 LYS 115 1HD LYS 115 13.243 -10.136 -3.418 279 HE2 LYS 115 2HE LYS 115 12.932 -10.089 -1.062 280 HE3 LYS 115 1HE LYS 115 11.958 -11.559 -1.080 281 HZ1 LYS 115 3HZ LYS 115 14.763 -11.552 -1.999 282 HZ2 LYS 115 1HZ LYS 115 13.811 -12.869 -1.514 283 HZ3 LYS 115 2HZ LYS 115 14.367 -11.754 -0.359 284 H LEU 116 H LEU 116 9.073 -6.004 -4.020 285 HA LEU 116 HA LEU 116 9.924 -6.532 -6.816 286 HB2 LEU 116 2HB LEU 116 8.124 -4.303 -5.826 287 HB3 LEU 116 1HB LEU 116 8.399 -4.791 -7.490 288 HG LEU 116 HG LEU 116 6.277 -5.727 -6.837 289 HD11 LEU 116 1HD1 LEU 116 8.046 -7.215 -8.037 290 HD12 LEU 116 2HD1 LEU 116 6.628 -8.004 -7.346 291 HD13 LEU 116 3HD1 LEU 116 8.164 -8.055 -6.493 292 HD21 LEU 116 3HD2 LEU 116 7.279 -7.420 -4.606 293 HD22 LEU 116 1HD2 LEU 116 5.778 -6.519 -4.756 294 HD23 LEU 116 2HD2 LEU 116 7.243 -5.698 -4.240 295 H THR 117 H THR 117 10.916 -4.678 -7.948 296 HA THR 117 HA THR 117 13.057 -3.615 -6.364 297 HB THR 117 HB THR 117 13.539 -2.311 -8.516 298 HG1 THR 117 1HG THR 117 11.529 -2.286 -9.424 299 HG21 THR 117 3HG2 THR 117 13.247 -5.321 -8.716 300 HG22 THR 117 1HG2 THR 117 14.594 -4.482 -7.947 301 HG23 THR 117 2HG2 THR 117 14.326 -4.316 -9.682 302 H ASP 118 H ASP 118 13.532 -1.222 -6.268 303 HA ASP 118 HA ASP 118 11.383 0.149 -5.052 304 HB2 ASP 118 2HB ASP 118 14.060 1.095 -6.082 305 HB3 ASP 118 1HB ASP 118 12.919 2.164 -5.268 306 H GLU 119 H GLU 119 12.720 0.279 -8.324 307 HA GLU 119 HA GLU 119 11.261 2.512 -9.231 308 HB2 GLU 119 2HB GLU 119 12.330 0.100 -10.716 309 HB3 GLU 119 1HB GLU 119 11.607 1.499 -11.515 310 HG2 GLU 119 2HG GLU 119 13.281 2.976 -10.532 311 HG3 GLU 119 1HG GLU 119 13.969 1.635 -9.613 312 H GLU 120 H GLU 120 10.367 -0.880 -8.880 313 HA GLU 120 HA GLU 120 7.926 -0.630 -10.378 314 HB2 GLU 120 2HB GLU 120 8.925 -2.705 -8.418 315 HB3 GLU 120 1HB GLU 120 7.382 -2.833 -9.263 316 HG2 GLU 120 2HG GLU 120 10.047 -2.483 -10.662 317 HG3 GLU 120 1HG GLU 120 9.272 -4.047 -10.405 318 H VAL 121 H VAL 121 8.715 -0.748 -6.903 319 HA VAL 121 HA VAL 121 6.064 -0.414 -5.991 320 HB VAL 121 HB VAL 121 8.691 0.328 -4.681 321 HG11 VAL 121 1HG1 VAL 121 7.260 0.182 -2.575 322 HG12 VAL 121 2HG1 VAL 121 5.852 0.258 -3.634 323 HG13 VAL 121 3HG1 VAL 121 6.989 1.605 -3.579 324 HG21 VAL 121 3HG2 VAL 121 8.374 -2.076 -5.204 325 HG22 VAL 121 1HG2 VAL 121 6.835 -2.052 -4.344 326 HG23 VAL 121 2HG2 VAL 121 8.342 -1.784 -3.466 327 H GLU 122 H GLU 122 8.660 1.974 -6.557 328 HA GLU 122 HA GLU 122 7.188 4.247 -5.805 329 HB2 GLU 122 2HB GLU 122 9.469 3.913 -7.761 330 HB3 GLU 122 1HB GLU 122 8.811 5.473 -7.287 331 HG2 GLU 122 2HG GLU 122 9.354 5.053 -4.952 332 HG3 GLU 122 1HG GLU 122 9.900 3.423 -5.344 333 H GLN 123 H GLN 123 7.450 2.534 -8.892 334 HA GLN 123 HA GLN 123 5.924 4.436 -10.379 335 HB2 GLN 123 2HB GLN 123 6.742 1.576 -10.844 336 HB3 GLN 123 1HB GLN 123 5.621 2.377 -11.946 337 HG2 GLN 123 2HG GLN 123 8.302 3.561 -11.184 338 HG3 GLN 123 1HG GLN 123 8.075 2.531 -12.597 339 HE21 GLN 123 1HE2 GLN 123 8.606 5.596 -12.187 340 HE22 GLN 123 2HE2 GLN 123 7.460 6.317 -13.211 341 H MET 124 H MET 124 5.074 1.435 -8.643 342 HA MET 124 HA MET 124 2.380 1.387 -9.466 343 HB2 MET 124 2HB MET 124 3.882 0.207 -7.132 344 HB3 MET 124 1HB MET 124 2.156 -0.016 -7.331 345 HG2 MET 124 2HG MET 124 2.525 -0.972 -9.579 346 HG3 MET 124 1HG MET 124 4.261 -0.773 -9.364 347 HE1 MET 124 3HE MET 124 5.028 -3.190 -9.629 348 HE2 MET 124 1HE MET 124 3.375 -3.408 -10.225 349 HE3 MET 124 2HE MET 124 4.064 -4.564 -9.088 350 H ILE 125 H ILE 125 3.995 2.809 -6.635 351 HA ILE 125 HA ILE 125 1.616 3.722 -5.374 352 HB ILE 125 HB ILE 125 4.493 4.628 -5.190 353 HG12 ILE 125 2HG1 ILE 125 2.713 3.025 -3.334 354 HG13 ILE 125 1HG1 ILE 125 3.972 2.355 -4.353 355 HG21 ILE 125 1HG2 ILE 125 2.033 5.591 -3.724 356 HG22 ILE 125 2HG2 ILE 125 3.239 6.550 -4.572 357 HG23 ILE 125 3HG2 ILE 125 3.648 5.778 -3.050 358 HD11 ILE 125 3HD1 ILE 125 5.493 4.116 -3.084 359 HD12 ILE 125 1HD1 ILE 125 5.106 2.566 -2.333 360 HD13 ILE 125 2HD1 ILE 125 4.211 4.015 -1.870 361 H LYS 126 H LYS 126 3.926 5.251 -7.564 362 HA LYS 126 HA LYS 126 2.659 7.772 -7.688 363 HB2 LYS 126 2HB LYS 126 4.459 6.369 -9.633 364 HB3 LYS 126 1HB LYS 126 3.964 8.045 -9.801 365 HG2 LYS 126 2HG LYS 126 5.172 7.121 -7.197 366 HG3 LYS 126 1HG LYS 126 6.236 7.457 -8.563 367 HD2 LYS 126 2HD LYS 126 5.270 9.723 -8.757 368 HD3 LYS 126 1HD LYS 126 4.219 9.399 -7.383 369 HE2 LYS 126 2HE LYS 126 6.157 10.623 -6.603 370 HE3 LYS 126 1HE LYS 126 6.241 8.971 -5.988 371 HZ1 LYS 126 3HZ LYS 126 8.021 8.499 -7.246 372 HZ2 LYS 126 1HZ LYS 126 8.238 10.180 -7.271 373 HZ3 LYS 126 2HZ LYS 126 7.472 9.405 -8.574 374 H GLU 127 H GLU 127 2.345 4.865 -9.638 375 HA GLU 127 HA GLU 127 0.488 5.993 -11.499 376 HB2 GLU 127 2HB GLU 127 1.911 4.007 -11.943 377 HB3 GLU 127 1HB GLU 127 0.911 3.096 -10.828 378 HG2 GLU 127 2HG GLU 127 -1.085 3.579 -12.187 379 HG3 GLU 127 1HG GLU 127 -0.097 4.513 -13.310 380 H ALA 128 H ALA 128 0.243 4.287 -8.457 381 HA ALA 128 HA ALA 128 -2.647 3.963 -8.664 382 HB1 ALA 128 1HB ALA 128 -0.882 3.561 -6.248 383 HB2 ALA 128 2HB ALA 128 -1.208 2.329 -7.464 384 HB3 ALA 128 3HB ALA 128 -2.524 2.971 -6.482 385 H ASP 129 H ASP 129 -0.388 6.231 -7.268 386 HA ASP 129 HA ASP 129 -2.234 7.460 -5.479 387 HB2 ASP 129 2HB ASP 129 0.166 7.672 -5.206 388 HB3 ASP 129 1HB ASP 129 0.291 8.573 -6.705 389 H LEU 130 H LEU 130 -3.995 8.458 -6.100 390 HA LEU 130 HA LEU 130 -4.096 9.791 -8.687 391 HB2 LEU 130 2HB LEU 130 -5.973 8.329 -7.677 392 HB3 LEU 130 1HB LEU 130 -6.341 9.730 -6.680 393 HG LEU 130 HG LEU 130 -6.328 11.056 -8.942 394 HD11 LEU 130 1HD1 LEU 130 -5.495 9.459 -10.490 395 HD12 LEU 130 2HD1 LEU 130 -7.225 9.503 -10.801 396 HD13 LEU 130 3HD1 LEU 130 -6.536 8.180 -9.869 397 HD21 LEU 130 3HD2 LEU 130 -8.347 10.755 -7.630 398 HD22 LEU 130 1HD2 LEU 130 -8.504 9.087 -8.176 399 HD23 LEU 130 2HD2 LEU 130 -8.735 10.413 -9.316 400 H ASP 131 H ASP 131 -3.750 10.619 -5.336 401 HA ASP 131 HA ASP 131 -4.587 13.368 -5.678 402 HB2 ASP 131 2HB ASP 131 -3.118 12.090 -3.367 403 HB3 ASP 131 1HB ASP 131 -3.954 13.641 -3.359 404 H GLY 132 H GLY 132 -1.804 11.715 -6.553 405 HA2 GLY 132 2HA GLY 132 0.234 12.473 -7.282 406 HA3 GLY 132 1HA GLY 132 -0.408 14.107 -7.151 407 H ASP 133 H ASP 133 -0.958 12.984 -4.173 408 HA ASP 133 HA ASP 133 1.162 14.448 -2.982 409 HB2 ASP 133 2HB ASP 133 0.354 13.393 -0.851 410 HB3 ASP 133 1HB ASP 133 -0.913 14.189 -1.784 411 H GLY 134 H GLY 134 1.039 11.326 -4.288 412 HA2 GLY 134 2HA GLY 134 2.784 9.813 -4.565 413 HA3 GLY 134 1HA GLY 134 3.761 10.789 -3.471 414 H GLN 135 H GLN 135 0.689 10.154 -2.243 415 HA GLN 135 HA GLN 135 1.761 8.035 -0.480 416 HB2 GLN 135 2HB GLN 135 0.212 10.507 -0.064 417 HB3 GLN 135 1HB GLN 135 -0.499 9.119 0.731 418 HG2 GLN 135 2HG GLN 135 1.540 8.650 1.907 419 HG3 GLN 135 1HG GLN 135 2.405 9.891 1.002 420 HE21 GLN 135 1HE2 GLN 135 2.624 10.356 3.613 421 HE22 GLN 135 2HE2 GLN 135 1.529 11.529 4.167 422 H VAL 136 H VAL 136 0.585 6.193 -0.127 423 HA VAL 136 HA VAL 136 -1.568 5.664 -2.063 424 HB VAL 136 HB VAL 136 -0.120 3.864 -0.103 425 HG11 VAL 136 1HG1 VAL 136 -2.268 3.332 -2.158 426 HG12 VAL 136 2HG1 VAL 136 -2.304 2.936 -0.440 427 HG13 VAL 136 3HG1 VAL 136 -1.221 2.062 -1.528 428 HG21 VAL 136 3HG2 VAL 136 0.685 2.883 -2.336 429 HG22 VAL 136 1HG2 VAL 136 1.397 4.409 -1.818 430 HG23 VAL 136 2HG2 VAL 136 0.138 4.397 -3.057 431 H ASN 137 H ASN 137 -3.510 6.506 -1.360 432 HA ASN 137 HA ASN 137 -4.185 6.298 1.501 433 HB2 ASN 137 2HB ASN 137 -4.467 8.470 0.288 434 HB3 ASN 137 1HB ASN 137 -5.691 7.702 -0.718 435 HD21 ASN 137 1HD2 ASN 137 -4.935 8.475 2.713 436 HD22 ASN 137 2HD2 ASN 137 -6.557 8.523 3.212 437 H TYR 138 H TYR 138 -6.601 5.797 1.885 438 HA TYR 138 HA TYR 138 -7.103 3.139 1.251 439 HB2 TYR 138 2HB TYR 138 -8.224 4.483 3.056 440 HB3 TYR 138 1HB TYR 138 -9.239 5.205 1.805 441 HD1 TYR 138 2HD TYR 138 -10.665 3.693 0.351 442 HD2 TYR 138 1HD TYR 138 -8.680 2.304 3.896 443 HE1 TYR 138 2HE TYR 138 -12.159 1.721 0.416 444 HE2 TYR 138 1HE TYR 138 -10.176 0.336 3.964 445 HH TYR 138 HH TYR 138 -12.996 0.101 2.045 446 H GLU 139 H GLU 139 -8.363 6.063 -0.399 447 HA GLU 139 HA GLU 139 -10.038 4.703 -2.197 448 HB2 GLU 139 2HB GLU 139 -9.950 7.211 -1.739 449 HB3 GLU 139 1HB GLU 139 -8.546 7.270 -2.805 450 HG2 GLU 139 2HG GLU 139 -11.179 6.059 -3.677 451 HG3 GLU 139 1HG GLU 139 -10.812 7.769 -3.886 452 H GLU 140 H GLU 140 -6.626 5.699 -2.562 453 HA GLU 140 HA GLU 140 -6.421 4.596 -5.179 454 HB2 GLU 140 2HB GLU 140 -4.254 5.243 -3.209 455 HB3 GLU 140 1HB GLU 140 -4.028 4.934 -4.911 456 HG2 GLU 140 2HG GLU 140 -4.912 6.973 -5.571 457 HG3 GLU 140 1HG GLU 140 -6.027 7.049 -4.227 458 H PHE 141 H PHE 141 -5.752 3.414 -1.911 459 HA PHE 141 HA PHE 141 -4.445 1.040 -2.677 460 HB2 PHE 141 2HB PHE 141 -4.506 1.967 -0.351 461 HB3 PHE 141 1HB PHE 141 -6.195 1.473 -0.240 462 HD1 PHE 141 2HD PHE 141 -2.877 0.019 -1.260 463 HD2 PHE 141 1HD PHE 141 -6.631 -0.612 0.742 464 HE1 PHE 141 2HE PHE 141 -2.155 -2.265 -0.621 465 HE2 PHE 141 1HE PHE 141 -5.906 -2.894 1.374 466 HZ PHE 141 HZ PHE 141 -3.670 -3.722 0.694 467 H VAL 142 H VAL 142 -7.847 1.574 -1.743 468 HA VAL 142 HA VAL 142 -8.735 -1.019 -2.337 469 HB VAL 142 HB VAL 142 -10.007 0.744 -1.066 470 HG11 VAL 142 1HG1 VAL 142 -9.585 2.486 -2.818 471 HG12 VAL 142 2HG1 VAL 142 -11.232 2.418 -2.236 472 HG13 VAL 142 3HG1 VAL 142 -10.816 1.724 -3.804 473 HG21 VAL 142 3HG2 VAL 142 -12.177 -0.043 -1.796 474 HG22 VAL 142 1HG2 VAL 142 -11.035 -1.376 -1.960 475 HG23 VAL 142 2HG2 VAL 142 -11.539 -0.468 -3.385 476 H LYS 143 H LYS 143 -8.596 1.890 -4.334 477 HA LYS 143 HA LYS 143 -9.791 0.792 -6.638 478 HB2 LYS 143 2HB LYS 143 -9.371 3.223 -6.159 479 HB3 LYS 143 1HB LYS 143 -7.666 2.951 -6.477 480 HG2 LYS 143 2HG LYS 143 -8.383 3.651 -8.582 481 HG3 LYS 143 1HG LYS 143 -8.576 1.910 -8.752 482 HD2 LYS 143 2HD LYS 143 -10.955 2.092 -8.163 483 HD3 LYS 143 1HD LYS 143 -10.775 3.830 -7.929 484 HE2 LYS 143 2HE LYS 143 -10.204 2.393 -10.530 485 HE3 LYS 143 1HE LYS 143 -11.713 3.229 -10.165 486 HZ1 LYS 143 3HZ LYS 143 -9.011 4.463 -10.193 487 HZ2 LYS 143 1HZ LYS 143 -10.459 5.268 -9.830 488 HZ3 LYS 143 2HZ LYS 143 -10.202 4.651 -11.392 489 H MET 144 H MET 144 -6.375 1.160 -5.716 490 HA MET 144 HA MET 144 -5.298 -0.162 -7.987 491 HB2 MET 144 2HB MET 144 -4.073 1.271 -6.256 492 HB3 MET 144 1HB MET 144 -4.039 -0.163 -5.256 493 HG2 MET 144 2HG MET 144 -3.023 -0.237 -8.105 494 HG3 MET 144 1HG MET 144 -1.991 0.273 -6.780 495 HE1 MET 144 3HE MET 144 -1.218 -2.475 -4.654 496 HE2 MET 144 1HE MET 144 -2.844 -1.930 -4.227 497 HE3 MET 144 2HE MET 144 -1.640 -0.769 -4.778 498 H MET 145 H MET 145 -6.388 -1.195 -4.849 499 HA MET 145 HA MET 145 -5.450 -3.855 -4.951 500 HB2 MET 145 2HB MET 145 -6.329 -2.812 -2.878 501 HB3 MET 145 1HB MET 145 -7.950 -2.842 -3.571 502 HG2 MET 145 2HG MET 145 -7.652 -4.780 -2.110 503 HG3 MET 145 1HG MET 145 -7.781 -5.324 -3.777 504 HE1 MET 145 3HE MET 145 -4.213 -5.274 -0.975 505 HE2 MET 145 1HE MET 145 -5.757 -6.050 -0.597 506 HE3 MET 145 2HE MET 145 -5.692 -4.317 -0.910 507 H MET 146 H MET 146 -8.320 -2.303 -6.266 508 HA MET 146 HA MET 146 -9.548 -4.769 -7.089 509 HB2 MET 146 2HB MET 146 -10.054 -1.846 -7.665 510 HB3 MET 146 1HB MET 146 -10.917 -3.108 -8.555 511 HG2 MET 146 2HG MET 146 -10.826 -2.941 -5.531 512 HG3 MET 146 1HG MET 146 -12.135 -2.285 -6.511 513 HE1 MET 146 3HE MET 146 -14.257 -3.632 -6.884 514 HE2 MET 146 1HE MET 146 -14.093 -5.109 -7.842 515 HE3 MET 146 2HE MET 146 -13.277 -3.631 -8.348 516 H THR 147 H THR 147 -7.642 -2.224 -8.706 517 HA THR 147 HA THR 147 -7.747 -3.003 -11.310 518 HB THR 147 HB THR 147 -5.185 -2.271 -9.884 519 HG1 THR 147 1HG THR 147 -7.151 -0.899 -9.535 520 HG21 THR 147 3HG2 THR 147 -4.736 -1.128 -12.096 521 HG22 THR 147 1HG2 THR 147 -6.192 -1.899 -12.727 522 HG23 THR 147 2HG2 THR 147 -4.830 -2.886 -12.203 523 H VAL 148 H VAL 148 -6.481 -4.797 -8.686 524 HA VAL 148 HA VAL 148 -4.525 -6.363 -9.895 525 HB VAL 148 HB VAL 148 -4.903 -7.938 -8.132 526 HG11 VAL 148 1HG1 VAL 148 -5.126 -6.293 -6.146 527 HG12 VAL 148 2HG1 VAL 148 -5.231 -5.045 -7.385 528 HG13 VAL 148 3HG1 VAL 148 -3.795 -6.054 -7.276 529 HG21 VAL 148 3HG2 VAL 148 -6.950 -7.476 -6.592 530 HG22 VAL 148 1HG2 VAL 148 -7.236 -8.322 -8.112 531 HG23 VAL 148 2HG2 VAL 148 -7.599 -6.605 -7.983 532 H ARG 149 H ARG 149 -8.046 -6.842 -9.798 533 HA ARG 149 HA ARG 149 -7.978 -8.230 -12.306 534 HB2 ARG 149 2HB ARG 149 -7.235 -10.029 -10.744 535 HB3 ARG 149 1HB ARG 149 -8.749 -9.840 -9.860 536 HG2 ARG 149 2HG ARG 149 -10.004 -10.356 -11.950 537 HG3 ARG 149 1HG ARG 149 -8.470 -10.618 -12.779 538 HD2 ARG 149 2HD ARG 149 -7.929 -12.372 -11.053 539 HD3 ARG 149 1HD ARG 149 -9.566 -12.185 -10.431 540 HE ARG 149 HE ARG 149 -8.793 -13.489 -12.914 541 HH11 ARG 149 1HH2 ARG 149 -11.264 -11.974 -11.041 542 HH12 ARG 149 2HH2 ARG 149 -12.570 -12.749 -11.870 543 HH21 ARG 149 1HH1 ARG 149 -10.498 -14.517 -14.019 544 HH22 ARG 149 2HH1 ARG 149 -12.135 -14.192 -13.561
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