NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
534093 | 2l7y | 17381 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 1 H SER 1 1.807 0.001 0.856 2 HA SER 1 HA SER 1 3.142 -0.013 -0.985 3 HB2 SER 1 2HB SER 1 1.463 -0.943 -3.061 4 HB3 SER 1 3HB SER 1 2.643 -1.869 -2.135 5 HG SER 1 HG SER 1 -0.105 -1.809 -1.941 6 HA PRO 2 HA PRO 2 2.425 3.657 -3.277 7 HB2 PRO 2 2HB PRO 2 3.784 3.188 -5.579 8 HB3 PRO 2 3HB PRO 2 4.587 3.495 -4.035 9 HG2 PRO 2 2HG PRO 2 4.049 0.888 -5.405 10 HG3 PRO 2 3HG PRO 2 5.518 1.433 -4.574 11 HD2 PRO 2 2HD PRO 2 3.719 -0.229 -3.417 12 HD3 PRO 2 3HD PRO 2 4.666 0.951 -2.487 13 H LYS 3 H LYS 3 1.152 4.584 -4.876 14 HA LYS 3 HA LYS 3 -0.506 2.697 -6.414 15 HB2 LYS 3 2HB LYS 3 -1.865 3.851 -4.819 16 HB3 LYS 3 3HB LYS 3 -1.157 5.403 -5.248 17 HG2 LYS 3 2HG LYS 3 -2.250 5.399 -7.367 18 HG3 LYS 3 3HG LYS 3 -2.793 3.735 -7.143 19 HD2 LYS 3 2HD LYS 3 -3.579 5.866 -5.191 20 HD3 LYS 3 3HD LYS 3 -4.454 5.680 -6.713 21 HE2 LYS 3 2HE LYS 3 -5.701 4.236 -5.511 22 HE3 LYS 3 3HE LYS 3 -4.389 3.117 -5.880 23 HZ1 LYS 3 3HZ LYS 3 -4.104 2.892 -3.709 24 HZ2 LYS 3 1HZ LYS 3 -5.229 4.107 -3.365 25 HZ3 LYS 3 2HZ LYS 3 -3.606 4.506 -3.625 26 H THR 4 H THR 4 0.375 2.608 -8.399 27 HA THR 4 HA THR 4 0.824 5.166 -9.795 28 HB THR 4 HB THR 4 2.431 3.683 -11.241 29 HG1 THR 4 HG1 THR 4 3.453 2.082 -9.914 30 HG21 THR 4 3HG2 THR 4 4.030 4.079 -8.968 31 HG22 THR 4 1HG2 THR 4 2.789 5.330 -8.909 32 HG23 THR 4 2HG2 THR 4 3.817 5.174 -10.334 33 H ILE 5 H ILE 5 0.696 4.931 -12.214 34 HA ILE 5 HA ILE 5 -1.608 3.233 -12.877 35 HB ILE 5 HB ILE 5 -2.071 4.732 -14.703 36 HG12 ILE 5 2HG1 ILE 5 -0.324 6.901 -14.320 37 HG13 ILE 5 3HG1 ILE 5 0.698 5.468 -14.330 38 HG21 ILE 5 1HG2 ILE 5 -3.022 5.426 -12.638 39 HG22 ILE 5 2HG2 ILE 5 -1.499 6.134 -12.102 40 HG23 ILE 5 3HG2 ILE 5 -2.396 6.873 -13.428 41 HD11 ILE 5 3HD1 ILE 5 -0.262 6.844 -16.527 42 HD12 ILE 5 1HD1 ILE 5 0.502 5.255 -16.525 43 HD13 ILE 5 2HD1 ILE 5 -1.255 5.389 -16.452 44 H LEU 6 H LEU 6 -1.526 3.058 -15.542 45 HA LEU 6 HA LEU 6 1.069 2.271 -16.506 46 HB2 LEU 6 2HB LEU 6 -0.351 0.367 -15.099 47 HB3 LEU 6 3HB LEU 6 -0.737 0.006 -16.780 48 HG LEU 6 HG LEU 6 2.110 0.409 -16.375 49 HD11 LEU 6 1HD1 LEU 6 0.762 -1.811 -14.843 50 HD12 LEU 6 2HD1 LEU 6 1.660 -0.459 -14.154 51 HD13 LEU 6 3HD1 LEU 6 2.497 -1.667 -15.129 52 HD21 LEU 6 3HD2 LEU 6 2.282 -1.375 -17.823 53 HD22 LEU 6 1HD2 LEU 6 0.713 -0.708 -18.272 54 HD23 LEU 6 2HD2 LEU 6 0.801 -2.133 -17.237 55 H GLY 7 H GLY 7 -2.384 1.562 -17.103 56 HA2 GLY 7 2HA GLY 7 -1.955 2.065 -19.953 57 HA3 GLY 7 3HA GLY 7 -3.386 1.345 -19.230 58 H ILE 8 H ILE 8 -2.984 3.635 -21.130 59 HA ILE 8 HA ILE 8 -4.511 5.632 -19.592 60 HB ILE 8 HB ILE 8 -2.239 6.455 -20.126 61 HG12 ILE 8 2HG1 ILE 8 -4.530 7.823 -20.212 62 HG13 ILE 8 3HG1 ILE 8 -2.977 8.580 -20.549 63 HG21 ILE 8 1HG2 ILE 8 -1.747 5.298 -22.147 64 HG22 ILE 8 2HG2 ILE 8 -3.141 6.005 -22.962 65 HG23 ILE 8 3HG2 ILE 8 -1.767 7.020 -22.524 66 HD11 ILE 8 3HD1 ILE 8 -4.581 7.394 -22.769 67 HD12 ILE 8 1HD1 ILE 8 -4.973 8.992 -22.134 68 HD13 ILE 8 2HD1 ILE 8 -3.376 8.682 -22.818 69 H GLU 9 H GLU 9 -6.256 6.588 -20.602 70 HA GLU 9 HA GLU 9 -6.904 5.683 -23.319 71 HB2 GLU 9 2HB GLU 9 -8.250 4.916 -20.892 72 HB3 GLU 9 3HB GLU 9 -9.344 5.833 -21.918 73 HG2 GLU 9 2HG GLU 9 -8.582 4.263 -23.795 74 HG3 GLU 9 3HG GLU 9 -7.951 3.249 -22.498 75 H VAL 10 H VAL 10 -7.488 7.303 -24.602 76 HA VAL 10 HA VAL 10 -7.710 9.967 -23.593 77 HB VAL 10 HB VAL 10 -6.697 9.567 -25.768 78 HG11 VAL 10 1HG1 VAL 10 -8.707 7.746 -26.149 79 HG12 VAL 10 2HG1 VAL 10 -9.184 9.068 -27.216 80 HG13 VAL 10 3HG1 VAL 10 -7.596 8.318 -27.393 81 HG21 VAL 10 3HG2 VAL 10 -8.821 11.014 -26.943 82 HG22 VAL 10 1HG2 VAL 10 -8.770 11.452 -25.235 83 HG23 VAL 10 2HG2 VAL 10 -7.332 11.643 -26.238 84 H SER 11 H SER 11 -9.469 11.011 -22.943 85 HA SER 11 HA SER 11 -12.091 10.213 -23.974 86 HB2 SER 11 2HB SER 11 -11.371 9.230 -21.594 87 HB3 SER 11 3HB SER 11 -11.941 10.811 -21.060 88 HG SER 11 HG SER 11 -13.801 9.796 -21.100 89 H GLN 12 H GLN 12 -10.294 12.501 -24.396 90 HA GLN 12 HA GLN 12 -11.661 14.711 -23.085 91 HB2 GLN 12 2HB GLN 12 -10.001 16.104 -24.374 92 HB3 GLN 12 3HB GLN 12 -9.301 14.977 -23.220 93 HG2 GLN 12 2HG GLN 12 -9.551 13.712 -25.775 94 HG3 GLN 12 3HG GLN 12 -8.707 15.251 -25.944 95 HE21 GLN 12 1HE2 GLN 12 -8.734 12.951 -23.261 96 HE22 GLN 12 2HE2 GLN 12 -7.036 12.635 -23.282 97 H GLU 13 H GLU 13 -13.168 15.966 -24.006 98 HA GLU 13 HA GLU 13 -13.890 15.381 -26.796 99 HB2 GLU 13 2HB GLU 13 -15.493 16.356 -24.443 100 HB3 GLU 13 3HB GLU 13 -16.084 16.526 -26.090 101 HG2 GLU 13 2HG GLU 13 -15.466 13.932 -26.136 102 HG3 GLU 13 3HG GLU 13 -15.796 14.112 -24.414 103 HA PRO 14 HA PRO 14 -12.861 19.428 -28.143 104 HB2 PRO 14 2HB PRO 14 -14.784 19.883 -30.005 105 HB3 PRO 14 3HB PRO 14 -13.451 18.750 -30.258 106 HG2 PRO 14 2HG PRO 14 -16.276 18.198 -29.434 107 HG3 PRO 14 3HG PRO 14 -15.261 17.330 -30.600 108 HD2 PRO 14 2HD PRO 14 -15.665 16.440 -28.075 109 HD3 PRO 14 3HD PRO 14 -14.147 16.163 -28.954 110 H LYS 15 H LYS 15 -13.156 21.382 -27.283 111 HA LYS 15 HA LYS 15 -15.642 22.698 -27.095 112 HB2 LYS 15 2HB LYS 15 -14.867 21.030 -24.818 113 HB3 LYS 15 3HB LYS 15 -15.186 22.702 -24.375 114 HG2 LYS 15 2HG LYS 15 -17.255 21.877 -26.118 115 HG3 LYS 15 3HG LYS 15 -17.035 20.612 -24.907 116 HD2 LYS 15 2HD LYS 15 -17.155 22.369 -23.145 117 HD3 LYS 15 3HD LYS 15 -17.540 23.544 -24.405 118 HE2 LYS 15 2HE LYS 15 -19.277 21.342 -24.752 119 HE3 LYS 15 3HE LYS 15 -19.276 21.735 -23.034 120 HZ1 LYS 15 3HZ LYS 15 -20.075 23.423 -25.314 121 HZ2 LYS 15 1HZ LYS 15 -19.585 24.134 -23.859 122 HZ3 LYS 15 2HZ LYS 15 -20.918 23.094 -23.885 123 H LYS 16 H LYS 16 -13.087 22.730 -24.646 124 HA LYS 16 HA LYS 16 -11.788 24.465 -23.902 125 HB2 LYS 16 2HB LYS 16 -11.235 24.076 -26.788 126 HB3 LYS 16 3HB LYS 16 -10.589 25.542 -26.063 127 HG2 LYS 16 2HG LYS 16 -8.845 24.091 -25.766 128 HG3 LYS 16 3HG LYS 16 -9.703 23.903 -24.235 129 HD2 LYS 16 2HD LYS 16 -9.636 21.708 -24.683 130 HD3 LYS 16 3HD LYS 16 -10.941 22.049 -25.822 131 HE2 LYS 16 2HE LYS 16 -9.399 20.867 -27.103 132 HE3 LYS 16 3HE LYS 16 -9.058 22.550 -27.501 133 HZ1 LYS 16 3HZ LYS 16 -7.342 22.359 -25.611 134 HZ2 LYS 16 1HZ LYS 16 -6.975 21.674 -27.114 135 HZ3 LYS 16 2HZ LYS 16 -7.492 20.690 -25.839 136 H ASP 17 H ASP 17 -13.875 25.602 -23.380 137 HA ASP 17 HA ASP 17 -14.168 28.048 -24.996 138 HB2 ASP 17 2HB ASP 17 -16.107 26.256 -23.765 139 HB3 ASP 17 3HB ASP 17 -16.360 27.934 -23.293 140 H TYR 18 H TYR 18 -13.402 29.848 -24.127 141 HA TYR 18 HA TYR 18 -13.251 30.042 -21.190 142 HB2 TYR 18 2HB TYR 18 -11.317 31.433 -23.027 143 HB3 TYR 18 3HB TYR 18 -11.151 31.096 -21.307 144 HD1 TYR 18 HD1 TYR 18 -11.867 28.214 -21.247 145 HD2 TYR 18 HD2 TYR 18 -9.439 30.407 -23.967 146 HE1 TYR 18 HE1 TYR 18 -10.609 26.165 -21.767 147 HE2 TYR 18 HE2 TYR 18 -8.175 28.364 -24.496 148 HH TYR 18 HH TYR 18 -7.805 26.228 -23.924 149 H LEU 19 H LEU 19 -13.929 31.912 -20.254 150 HA LEU 19 HA LEU 19 -15.258 33.834 -22.022 151 HB2 LEU 19 2HB LEU 19 -15.627 32.990 -19.190 152 HB3 LEU 19 3HB LEU 19 -16.139 34.607 -19.666 153 HG LEU 19 HG LEU 19 -18.024 33.103 -19.712 154 HD11 LEU 19 1HD1 LEU 19 -17.399 34.828 -21.660 155 HD12 LEU 19 2HD1 LEU 19 -18.888 33.883 -21.648 156 HD13 LEU 19 3HD1 LEU 19 -17.511 33.346 -22.610 157 HD21 LEU 19 3HD2 LEU 19 -16.769 31.013 -20.024 158 HD22 LEU 19 1HD2 LEU 19 -16.448 31.468 -21.698 159 HD23 LEU 19 2HD2 LEU 19 -18.103 31.164 -21.168 160 H VAL 20 H VAL 20 -15.082 36.113 -21.601 161 HA VAL 20 HA VAL 20 -12.502 37.080 -21.426 162 HB VAL 20 HB VAL 20 -13.430 39.293 -21.177 163 HG11 VAL 20 1HG1 VAL 20 -13.659 38.228 -23.361 164 HG12 VAL 20 2HG1 VAL 20 -15.226 37.571 -22.884 165 HG13 VAL 20 3HG1 VAL 20 -15.010 39.315 -23.042 166 HG21 VAL 20 3HG2 VAL 20 -16.132 39.147 -20.997 167 HG22 VAL 20 1HG2 VAL 20 -15.650 37.819 -19.940 168 HG23 VAL 20 2HG2 VAL 20 -15.059 39.452 -19.631 169 H GLY 21 H GLY 21 -11.162 37.743 -19.829 170 HA2 GLY 21 2HA GLY 21 -10.297 37.969 -17.715 171 HA3 GLY 21 3HA GLY 21 -11.900 38.513 -17.243 172 H ASP 22 H ASP 22 -11.657 35.370 -18.612 173 HA ASP 22 HA ASP 22 -11.967 34.200 -15.925 174 HB2 ASP 22 2HB ASP 22 -13.779 34.131 -17.994 175 HB3 ASP 22 3HB ASP 22 -12.942 32.591 -18.174 176 H SER 23 H SER 23 -10.204 34.160 -18.874 177 HA SER 23 HA SER 23 -8.365 33.013 -19.566 178 HB2 SER 23 2HB SER 23 -6.794 32.510 -17.971 179 HB3 SER 23 3HB SER 23 -7.886 33.473 -16.976 180 HG SER 23 HG SER 23 -7.421 31.543 -15.923 181 H LEU 24 H LEU 24 -7.330 30.553 -19.040 182 HA LEU 24 HA LEU 24 -8.911 28.815 -20.473 183 HB2 LEU 24 2HB LEU 24 -6.625 28.467 -18.604 184 HB3 LEU 24 3HB LEU 24 -7.507 27.029 -19.116 185 HG LEU 24 HG LEU 24 -6.670 28.811 -21.300 186 HD11 LEU 24 1HD1 LEU 24 -4.683 27.482 -19.486 187 HD12 LEU 24 2HD1 LEU 24 -4.690 29.138 -20.093 188 HD13 LEU 24 3HD1 LEU 24 -4.333 27.800 -21.185 189 HD21 LEU 24 3HD2 LEU 24 -7.688 26.378 -21.241 190 HD22 LEU 24 1HD2 LEU 24 -5.991 25.925 -21.076 191 HD23 LEU 24 2HD2 LEU 24 -6.522 26.858 -22.476 192 H ASP 25 H ASP 25 -9.942 26.786 -19.787 193 HA ASP 25 HA ASP 25 -10.746 26.261 -17.157 194 HB2 ASP 25 2HB ASP 25 -12.030 28.486 -17.956 195 HB3 ASP 25 3HB ASP 25 -13.142 27.273 -18.584 196 H LEU 26 H LEU 26 -9.881 24.909 -19.551 197 HA LEU 26 HA LEU 26 -11.883 23.567 -20.930 198 HB2 LEU 26 2HB LEU 26 -9.538 23.479 -21.565 199 HB3 LEU 26 3HB LEU 26 -9.161 22.566 -20.105 200 HG LEU 26 HG LEU 26 -10.408 20.663 -20.933 201 HD11 LEU 26 1HD1 LEU 26 -12.194 21.470 -22.154 202 HD12 LEU 26 2HD1 LEU 26 -11.136 20.839 -23.416 203 HD13 LEU 26 3HD1 LEU 26 -11.189 22.573 -23.095 204 HD21 LEU 26 3HD2 LEU 26 -8.267 21.876 -22.603 205 HD22 LEU 26 1HD2 LEU 26 -9.071 20.421 -23.193 206 HD23 LEU 26 2HD2 LEU 26 -8.248 20.403 -21.633 207 H SER 27 H SER 27 -13.342 22.091 -20.376 208 HA SER 27 HA SER 27 -12.944 20.609 -17.859 209 HB2 SER 27 2HB SER 27 -15.169 22.259 -18.756 210 HB3 SER 27 3HB SER 27 -15.688 20.628 -18.329 211 HG SER 27 HG SER 27 -15.444 21.158 -16.321 212 H GLU 28 H GLU 28 -14.084 20.535 -21.171 213 HA GLU 28 HA GLU 28 -14.964 17.808 -21.076 214 HB2 GLU 28 2HB GLU 28 -14.517 19.792 -23.290 215 HB3 GLU 28 3HB GLU 28 -14.886 18.109 -23.641 216 HG2 GLU 28 2HG GLU 28 -16.768 18.979 -21.735 217 HG3 GLU 28 3HG GLU 28 -16.657 20.235 -22.967 218 H GLY 29 H GLY 29 -11.945 19.366 -21.418 219 HA2 GLY 29 2HA GLY 29 -10.682 17.189 -22.862 220 HA3 GLY 29 3HA GLY 29 -9.891 18.632 -22.245 221 H ARG 30 H ARG 30 -11.398 15.601 -21.163 222 HA ARG 30 HA ARG 30 -9.408 15.513 -18.990 223 HB2 ARG 30 2HB ARG 30 -10.982 14.514 -17.541 224 HB3 ARG 30 3HB ARG 30 -11.835 15.850 -18.302 225 HG2 ARG 30 2HG ARG 30 -12.361 13.743 -19.987 226 HG3 ARG 30 3HG ARG 30 -12.374 12.996 -18.388 227 HD2 ARG 30 2HD ARG 30 -13.948 14.747 -17.628 228 HD3 ARG 30 3HD ARG 30 -13.982 15.391 -19.269 229 HE ARG 30 HE ARG 30 -14.675 12.602 -19.081 230 HH11 ARG 30 1HH1 ARG 30 -15.851 15.877 -18.965 231 HH12 ARG 30 2HH1 ARG 30 -17.476 15.447 -19.383 232 HH21 ARG 30 1HH2 ARG 30 -16.812 12.023 -19.632 233 HH22 ARG 30 2HH2 ARG 30 -18.022 13.254 -19.762 234 H PHE 31 H PHE 31 -8.630 13.422 -18.387 235 HA PHE 31 HA PHE 31 -8.982 11.368 -20.469 236 HB2 PHE 31 2HB PHE 31 -6.653 10.842 -20.404 237 HB3 PHE 31 3HB PHE 31 -6.774 12.589 -20.586 238 HD1 PHE 31 HD1 PHE 31 -6.752 13.933 -18.323 239 HD2 PHE 31 HD2 PHE 31 -5.214 9.996 -18.829 240 HE1 PHE 31 HE1 PHE 31 -5.325 14.239 -16.342 241 HE2 PHE 31 HE2 PHE 31 -3.786 10.296 -16.848 242 HZ PHE 31 HZ PHE 31 -3.840 12.419 -15.601 243 H ALA 32 H ALA 32 -8.882 9.205 -19.800 244 HA ALA 32 HA ALA 32 -9.303 8.830 -16.912 245 HB1 ALA 32 1HB ALA 32 -10.091 6.673 -18.760 246 HB2 ALA 32 2HB ALA 32 -10.928 7.328 -17.352 247 HB3 ALA 32 3HB ALA 32 -11.001 8.178 -18.895 248 H VAL 33 H VAL 33 -7.708 7.893 -15.832 249 HA VAL 33 HA VAL 33 -5.833 6.159 -17.296 250 HB VAL 33 HB VAL 33 -4.871 8.191 -16.213 251 HG11 VAL 33 1HG1 VAL 33 -4.920 7.045 -13.531 252 HG12 VAL 33 2HG1 VAL 33 -5.186 8.708 -14.060 253 HG13 VAL 33 3HG1 VAL 33 -6.510 7.543 -14.110 254 HG21 VAL 33 3HG2 VAL 33 -3.621 6.027 -16.627 255 HG22 VAL 33 1HG2 VAL 33 -2.933 7.102 -15.410 256 HG23 VAL 33 2HG2 VAL 33 -3.847 5.678 -14.914 257 H ALA 34 H ALA 34 -5.409 4.114 -16.599 258 HA ALA 34 HA ALA 34 -7.139 3.094 -14.453 259 HB1 ALA 34 1HB ALA 34 -7.579 1.976 -16.496 260 HB2 ALA 34 2HB ALA 34 -5.861 1.728 -16.810 261 HB3 ALA 34 3HB ALA 34 -6.652 0.855 -15.498 262 H TYR 35 H TYR 35 -6.252 2.552 -12.578 263 HA TYR 35 HA TYR 35 -3.360 2.446 -12.332 264 HB2 TYR 35 2HB TYR 35 -5.625 2.499 -10.350 265 HB3 TYR 35 3HB TYR 35 -3.974 2.158 -9.847 266 HD1 TYR 35 HD2 TYR 35 -6.112 4.708 -11.486 267 HD2 TYR 35 HD1 TYR 35 -2.428 3.903 -9.516 268 HE1 TYR 35 HE2 TYR 35 -5.658 7.122 -11.362 269 HE2 TYR 35 HE1 TYR 35 -1.965 6.315 -9.385 270 HH TYR 35 HH TYR 35 -3.496 8.581 -11.181 271 H SER 36 H SER 36 -2.387 0.725 -10.944 272 HA SER 36 HA SER 36 -3.181 -1.857 -11.962 273 HB2 SER 36 2HB SER 36 -0.759 -0.837 -11.484 274 HB3 SER 36 3HB SER 36 -1.025 -1.608 -9.920 275 HG SER 36 HG SER 36 -0.782 -2.761 -12.463 276 H ASN 37 H ASN 37 -3.985 -0.017 -9.285 277 HA ASN 37 HA ASN 37 -4.436 -2.313 -7.536 278 HB2 ASN 37 2HB ASN 37 -4.636 0.668 -7.120 279 HB3 ASN 37 3HB ASN 37 -5.227 -0.487 -5.929 280 HD21 ASN 37 1HD2 ASN 37 -3.843 -0.476 -4.310 281 HD22 ASN 37 2HD2 ASN 37 -2.125 -0.604 -4.446 282 H ASP 38 H ASP 38 -5.960 -1.746 -10.056 283 HA ASP 38 HA ASP 38 -8.095 -1.922 -10.822 284 HB2 ASP 38 2HB ASP 38 -7.975 -3.721 -8.900 285 HB3 ASP 38 3HB ASP 38 -9.086 -2.621 -8.087 286 H THR 39 H THR 39 -7.534 0.592 -10.538 287 HA THR 39 HA THR 39 -10.020 1.779 -9.633 288 HB THR 39 HB THR 39 -8.730 3.621 -8.421 289 HG1 THR 39 HG1 THR 39 -6.749 1.567 -8.393 290 HG21 THR 39 3HG2 THR 39 -9.030 2.577 -6.373 291 HG22 THR 39 1HG2 THR 39 -8.477 1.014 -6.971 292 HG23 THR 39 2HG2 THR 39 -10.069 1.620 -7.427 293 H MET 40 H MET 40 -10.575 3.580 -10.777 294 HA MET 40 HA MET 40 -8.606 4.546 -12.746 295 HB2 MET 40 2HB MET 40 -11.531 3.951 -13.009 296 HB3 MET 40 3HB MET 40 -10.790 5.162 -14.046 297 HG2 MET 40 2HG MET 40 -9.538 3.628 -15.185 298 HG3 MET 40 3HG MET 40 -9.500 2.495 -13.836 299 HE1 MET 40 3HE MET 40 -11.177 0.007 -15.872 300 HE2 MET 40 1HE MET 40 -9.773 0.598 -14.982 301 HE3 MET 40 2HE MET 40 -11.230 0.118 -14.112 302 H GLU 41 H GLU 41 -8.498 6.747 -13.152 303 HA GLU 41 HA GLU 41 -10.157 8.488 -11.463 304 HB2 GLU 41 2HB GLU 41 -7.158 8.469 -11.702 305 HB3 GLU 41 3HB GLU 41 -8.029 9.913 -11.207 306 HG2 GLU 41 2HG GLU 41 -9.097 8.404 -9.423 307 HG3 GLU 41 3HG GLU 41 -7.779 7.292 -9.790 308 H GLU 42 H GLU 42 -10.925 10.265 -12.451 309 HA GLU 42 HA GLU 42 -9.887 10.875 -15.141 310 HB2 GLU 42 2HB GLU 42 -12.091 11.448 -15.855 311 HB3 GLU 42 3HB GLU 42 -12.191 9.878 -15.071 312 HG2 GLU 42 2HG GLU 42 -13.915 10.758 -13.969 313 HG3 GLU 42 3HG GLU 42 -12.686 11.556 -12.989 314 H HIS 43 H HIS 43 -9.492 12.979 -15.670 315 HA HIS 43 HA HIS 43 -10.334 15.130 -13.925 316 HB2 HIS 43 2HB HIS 43 -7.732 13.941 -13.659 317 HB3 HIS 43 3HB HIS 43 -7.563 15.594 -14.242 318 HD1 HIS 43 HD1 HIS 43 -9.967 16.811 -12.644 319 HD2 HIS 43 HD2 HIS 43 -7.008 14.369 -11.048 320 HE1 HIS 43 HE1 HIS 43 -9.922 17.329 -10.183 321 H SER 44 H SER 44 -10.401 17.091 -14.946 322 HA SER 44 HA SER 44 -9.622 17.081 -17.785 323 HB2 SER 44 2HB SER 44 -11.450 19.210 -16.995 324 HB3 SER 44 3HB SER 44 -11.606 18.017 -18.284 325 HG SER 44 HG SER 44 -12.310 17.755 -15.556 326 H PHE 45 H PHE 45 -8.051 18.399 -18.412 327 HA PHE 45 HA PHE 45 -6.367 19.934 -18.303 328 HB2 PHE 45 2HB PHE 45 -8.493 21.316 -18.701 329 HB3 PHE 45 3HB PHE 45 -8.382 21.757 -17.000 330 HD1 PHE 45 HD2 PHE 45 -6.006 21.502 -19.871 331 HD2 PHE 45 HD1 PHE 45 -7.501 23.833 -16.639 332 HE1 PHE 45 HE2 PHE 45 -4.431 23.303 -20.446 333 HE2 PHE 45 HE1 PHE 45 -5.929 25.638 -17.209 334 HZ PHE 45 HZ PHE 45 -4.391 25.374 -19.114 335 H THR 46 H THR 46 -6.480 18.161 -16.089 336 HA THR 46 HA THR 46 -5.586 19.884 -13.874 337 HB THR 46 HB THR 46 -5.994 17.032 -13.282 338 HG1 THR 46 HG1 THR 46 -8.242 18.693 -13.850 339 HG21 THR 46 3HG2 THR 46 -6.600 19.682 -12.031 340 HG22 THR 46 1HG2 THR 46 -5.633 18.347 -11.407 341 HG23 THR 46 2HG2 THR 46 -7.392 18.224 -11.434 342 H ASP 47 H ASP 47 -4.916 16.597 -15.096 343 HA ASP 47 HA ASP 47 -2.345 16.412 -14.003 344 HB2 ASP 47 2HB ASP 47 -3.685 14.484 -14.832 345 HB3 ASP 47 3HB ASP 47 -3.377 15.019 -16.482 346 H GLU 48 H GLU 48 -0.300 16.762 -14.829 347 HA GLU 48 HA GLU 48 -0.179 18.703 -17.011 348 HB2 GLU 48 2HB GLU 48 1.610 17.980 -14.732 349 HB3 GLU 48 3HB GLU 48 2.327 18.705 -16.163 350 HG2 GLU 48 2HG GLU 48 -0.022 20.154 -15.325 351 HG3 GLU 48 3HG GLU 48 1.157 20.023 -14.020 352 H GLY 49 H GLY 49 -0.531 15.726 -17.327 353 HA2 GLY 49 2HA GLY 49 1.944 14.827 -18.521 354 HA3 GLY 49 3HA GLY 49 0.420 13.952 -18.487 355 H VAL 50 H VAL 50 -0.962 16.384 -19.598 356 HA VAL 50 HA VAL 50 -0.222 15.902 -22.402 357 HB VAL 50 HB VAL 50 -2.487 16.779 -22.943 358 HG11 VAL 50 1HG1 VAL 50 -1.929 14.318 -21.428 359 HG12 VAL 50 2HG1 VAL 50 -3.632 14.762 -21.558 360 HG13 VAL 50 3HG1 VAL 50 -2.665 14.534 -23.016 361 HG21 VAL 50 3HG2 VAL 50 -2.417 17.553 -20.203 362 HG22 VAL 50 1HG2 VAL 50 -3.652 17.892 -21.416 363 HG23 VAL 50 2HG2 VAL 50 -3.757 16.430 -20.435 364 H GLU 51 H GLU 51 0.727 17.470 -23.517 365 HA GLU 51 HA GLU 51 0.650 20.202 -22.436 366 HB2 GLU 51 2HB GLU 51 2.642 18.782 -24.197 367 HB3 GLU 51 3HB GLU 51 2.657 20.526 -23.977 368 HG2 GLU 51 2HG GLU 51 2.545 19.459 -21.402 369 HG3 GLU 51 3HG GLU 51 3.699 18.457 -22.280 370 H ILE 52 H ILE 52 -0.268 21.810 -23.553 371 HA ILE 52 HA ILE 52 -1.373 21.173 -26.196 372 HB ILE 52 HB ILE 52 -2.088 23.558 -24.501 373 HG12 ILE 52 2HG1 ILE 52 -2.491 21.521 -23.190 374 HG13 ILE 52 3HG1 ILE 52 -4.008 22.268 -23.677 375 HG21 ILE 52 1HG2 ILE 52 -3.094 24.055 -26.448 376 HG22 ILE 52 2HG2 ILE 52 -3.014 22.393 -27.031 377 HG23 ILE 52 3HG2 ILE 52 -4.294 22.876 -25.919 378 HD11 ILE 52 3HD1 ILE 52 -2.717 19.805 -24.806 379 HD12 ILE 52 1HD1 ILE 52 -4.260 19.940 -23.964 380 HD13 ILE 52 2HD1 ILE 52 -4.072 20.626 -25.578 381 H SER 53 H SER 53 -0.787 22.246 -27.994 382 HA SER 53 HA SER 53 0.947 24.605 -27.703 383 HB2 SER 53 2HB SER 53 1.648 22.036 -28.801 384 HB3 SER 53 3HB SER 53 1.742 23.269 -30.058 385 HG SER 53 HG SER 53 3.573 23.771 -29.176 386 H GLY 54 H GLY 54 0.543 26.266 -29.072 387 HA2 GLY 54 2HA GLY 54 -0.188 27.069 -31.247 388 HA3 GLY 54 3HA GLY 54 -1.393 25.790 -31.248 389 H TYR 55 H TYR 55 -1.898 26.409 -28.319 390 HA TYR 55 HA TYR 55 -3.977 28.351 -28.810 391 HB2 TYR 55 2HB TYR 55 -4.834 26.768 -27.401 392 HB3 TYR 55 3HB TYR 55 -3.281 26.454 -26.633 393 HD1 TYR 55 HD2 TYR 55 -6.132 28.817 -26.735 394 HD2 TYR 55 HD1 TYR 55 -2.696 27.502 -24.597 395 HE1 TYR 55 HE2 TYR 55 -6.816 30.182 -24.807 396 HE2 TYR 55 HE1 TYR 55 -3.372 28.863 -22.663 397 HH TYR 55 HH TYR 55 -4.892 30.239 -21.820 398 H ASP 56 H ASP 56 -3.855 30.458 -28.431 399 HA ASP 56 HA ASP 56 -1.558 31.477 -26.911 400 HB2 ASP 56 2HB ASP 56 -3.144 32.490 -29.204 401 HB3 ASP 56 3HB ASP 56 -2.578 33.694 -28.050 402 H ALA 57 H ALA 57 -2.161 31.550 -24.813 403 HA ALA 57 HA ALA 57 -4.751 32.149 -23.877 404 HB1 ALA 57 1HB ALA 57 -2.295 32.643 -22.238 405 HB2 ALA 57 2HB ALA 57 -3.868 32.025 -21.734 406 HB3 ALA 57 3HB ALA 57 -2.777 31.002 -22.668 407 H GLN 58 H GLN 58 -2.169 34.153 -24.955 408 HA GLN 58 HA GLN 58 -3.171 36.528 -23.620 409 HB2 GLN 58 2HB GLN 58 -0.794 35.864 -25.288 410 HB3 GLN 58 3HB GLN 58 -1.323 37.540 -25.239 411 HG2 GLN 58 2HG GLN 58 -1.185 37.451 -22.763 412 HG3 GLN 58 3HG GLN 58 -0.505 35.831 -22.904 413 HE21 GLN 58 1HE2 GLN 58 0.667 38.241 -21.772 414 HE22 GLN 58 2HE2 GLN 58 2.129 38.524 -22.648 415 H LYS 59 H LYS 59 -4.360 34.839 -26.041 416 HA LYS 59 HA LYS 59 -5.944 36.885 -27.095 417 HB2 LYS 59 2HB LYS 59 -3.359 36.740 -28.291 418 HB3 LYS 59 3HB LYS 59 -4.539 36.188 -29.473 419 HG2 LYS 59 2HG LYS 59 -5.627 38.226 -29.535 420 HG3 LYS 59 3HG LYS 59 -5.010 38.718 -27.956 421 HD2 LYS 59 2HD LYS 59 -2.865 39.173 -28.824 422 HD3 LYS 59 3HD LYS 59 -3.205 38.314 -30.327 423 HE2 LYS 59 2HE LYS 59 -5.168 40.309 -30.104 424 HE3 LYS 59 3HE LYS 59 -3.642 41.075 -29.664 425 HZ1 LYS 59 3HZ LYS 59 -4.270 39.642 -32.184 426 HZ2 LYS 59 1HZ LYS 59 -2.708 40.125 -31.750 427 HZ3 LYS 59 2HZ LYS 59 -3.914 41.285 -31.997 428 H THR 60 H THR 60 -7.608 35.453 -26.905 429 HA THR 60 HA THR 60 -7.440 32.915 -28.363 430 HB THR 60 HB THR 60 -9.692 32.499 -27.183 431 HG1 THR 60 HG1 THR 60 -9.619 34.904 -26.538 432 HG21 THR 60 3HG2 THR 60 -6.957 32.430 -26.126 433 HG22 THR 60 1HG2 THR 60 -8.183 31.164 -26.180 434 HG23 THR 60 2HG2 THR 60 -8.213 32.366 -24.890 435 H GLY 61 H GLY 61 -9.559 32.216 -29.417 436 HA2 GLY 61 2HA GLY 61 -11.673 33.270 -30.355 437 HA3 GLY 61 3HA GLY 61 -10.584 34.495 -30.989 438 H ARG 62 H ARG 62 -11.530 31.116 -31.196 439 HA ARG 62 HA ARG 62 -11.449 29.617 -32.905 440 HB2 ARG 62 2HB ARG 62 -12.260 31.771 -34.129 441 HB3 ARG 62 3HB ARG 62 -10.633 31.798 -34.796 442 HG2 ARG 62 2HG ARG 62 -11.848 29.180 -35.023 443 HG3 ARG 62 3HG ARG 62 -12.811 30.434 -35.807 444 HD2 ARG 62 2HD ARG 62 -9.979 30.731 -36.352 445 HD3 ARG 62 3HD ARG 62 -10.586 29.154 -36.854 446 HE ARG 62 HE ARG 62 -12.302 31.252 -37.714 447 HH11 ARG 62 1HH1 ARG 62 -9.291 29.654 -38.421 448 HH12 ARG 62 2HH1 ARG 62 -9.328 30.047 -40.108 449 HH21 ARG 62 1HH2 ARG 62 -12.362 31.776 -39.933 450 HH22 ARG 62 2HH2 ARG 62 -11.075 31.255 -40.967 451 H GLN 63 H GLN 63 -9.263 29.580 -31.383 452 HA GLN 63 HA GLN 63 -6.965 29.586 -33.215 453 HB2 GLN 63 2HB GLN 63 -6.758 29.229 -30.242 454 HB3 GLN 63 3HB GLN 63 -5.549 29.833 -31.368 455 HG2 GLN 63 2HG GLN 63 -8.062 31.276 -30.552 456 HG3 GLN 63 3HG GLN 63 -6.440 31.601 -29.942 457 HE21 GLN 63 1HE2 GLN 63 -7.463 33.736 -30.870 458 HE22 GLN 63 2HE2 GLN 63 -6.946 34.127 -32.471 459 H THR 64 H THR 64 -5.701 27.770 -33.497 460 HA THR 64 HA THR 64 -7.036 25.254 -33.076 461 HB THR 64 HB THR 64 -4.256 25.660 -34.181 462 HG1 THR 64 HG1 THR 64 -5.914 26.917 -35.293 463 HG21 THR 64 3HG2 THR 64 -4.474 23.388 -33.940 464 HG22 THR 64 1HG2 THR 64 -5.188 23.595 -35.539 465 HG23 THR 64 2HG2 THR 64 -6.227 23.426 -34.124 466 H LEU 65 H LEU 65 -6.124 23.427 -32.000 467 HA LEU 65 HA LEU 65 -3.981 23.975 -30.086 468 HB2 LEU 65 2HB LEU 65 -6.688 22.872 -29.348 469 HB3 LEU 65 3HB LEU 65 -5.290 22.917 -28.275 470 HG LEU 65 HG LEU 65 -5.418 25.507 -28.805 471 HD11 LEU 65 1HD1 LEU 65 -7.407 26.346 -29.483 472 HD12 LEU 65 2HD1 LEU 65 -8.335 25.027 -28.769 473 HD13 LEU 65 3HD1 LEU 65 -7.506 24.790 -30.308 474 HD21 LEU 65 3HD2 LEU 65 -7.175 24.014 -26.862 475 HD22 LEU 65 1HD2 LEU 65 -6.853 25.746 -26.792 476 HD23 LEU 65 2HD2 LEU 65 -5.532 24.596 -26.586 477 H THR 66 H THR 66 -2.695 22.249 -29.650 478 HA THR 66 HA THR 66 -3.522 19.622 -30.683 479 HB THR 66 HB THR 66 -0.737 19.750 -31.027 480 HG1 THR 66 HG1 THR 66 -0.937 22.048 -31.023 481 HG21 THR 66 3HG2 THR 66 -3.099 19.733 -32.881 482 HG22 THR 66 1HG2 THR 66 -2.002 18.414 -32.474 483 HG23 THR 66 2HG2 THR 66 -1.448 19.737 -33.502 484 H LEU 67 H LEU 67 -3.696 18.430 -28.888 485 HA LEU 67 HA LEU 67 -1.787 18.784 -26.710 486 HB2 LEU 67 2HB LEU 67 -3.289 17.689 -25.336 487 HB3 LEU 67 3HB LEU 67 -4.338 18.561 -26.452 488 HG LEU 67 HG LEU 67 -4.244 16.236 -27.743 489 HD11 LEU 67 1HD1 LEU 67 -2.782 15.567 -25.543 490 HD12 LEU 67 2HD1 LEU 67 -3.667 14.428 -26.557 491 HD13 LEU 67 3HD1 LEU 67 -4.400 15.044 -25.076 492 HD21 LEU 67 3HD2 LEU 67 -6.369 15.724 -26.793 493 HD22 LEU 67 1HD2 LEU 67 -6.225 17.481 -26.848 494 HD23 LEU 67 2HD2 LEU 67 -5.996 16.626 -25.323 495 H HIS 68 H HIS 68 -0.179 17.407 -26.270 496 HA HIS 68 HA HIS 68 -0.119 14.841 -27.717 497 HB2 HIS 68 2HB HIS 68 1.637 16.963 -28.062 498 HB3 HIS 68 3HB HIS 68 2.508 15.872 -26.988 499 HD1 HIS 68 HD1 HIS 68 2.289 13.206 -27.971 500 HD2 HIS 68 HD2 HIS 68 2.160 16.389 -30.638 501 HE1 HIS 68 HE1 HIS 68 2.885 12.231 -30.211 502 H TYR 69 H TYR 69 0.173 13.068 -26.517 503 HA TYR 69 HA TYR 69 1.349 13.316 -23.847 504 HB2 TYR 69 2HB TYR 69 -1.026 13.458 -23.430 505 HB3 TYR 69 3HB TYR 69 -1.333 12.055 -24.447 506 HD1 TYR 69 HD2 TYR 69 -0.697 9.799 -23.670 507 HD2 TYR 69 HD1 TYR 69 -0.286 13.213 -21.164 508 HE1 TYR 69 HE2 TYR 69 -0.495 8.328 -21.709 509 HE2 TYR 69 HE1 TYR 69 -0.082 11.752 -19.196 510 HH TYR 69 HH TYR 69 -1.000 8.688 -19.078 511 H GLN 70 H GLN 70 2.979 11.932 -23.770 512 HA GLN 70 HA GLN 70 4.229 10.042 -23.975 513 HB2 GLN 70 2HB GLN 70 1.471 9.086 -23.947 514 HB3 GLN 70 3HB GLN 70 2.552 8.013 -24.826 515 HG2 GLN 70 2HG GLN 70 3.868 8.741 -22.441 516 HG3 GLN 70 3HG GLN 70 2.211 8.314 -22.016 517 HE21 GLN 70 1HE2 GLN 70 1.442 6.279 -23.251 518 HE22 GLN 70 2HE2 GLN 70 2.538 4.944 -23.216 519 H GLY 71 H GLY 71 1.826 9.143 -26.416 520 HA2 GLY 71 2HA GLY 71 3.698 9.859 -28.550 521 HA3 GLY 71 3HA GLY 71 3.251 8.166 -28.399 522 H HIS 72 H HIS 72 0.772 10.287 -27.483 523 HA HIS 72 HA HIS 72 -0.545 9.888 -30.088 524 HB2 HIS 72 2HB HIS 72 -1.431 9.446 -27.352 525 HB3 HIS 72 3HB HIS 72 -2.540 10.487 -28.241 526 HD1 HIS 72 HD1 HIS 72 -3.346 9.426 -30.634 527 HD2 HIS 72 HD2 HIS 72 -1.795 6.800 -27.814 528 HE1 HIS 72 HE1 HIS 72 -4.120 7.142 -31.346 529 H GLU 73 H GLU 73 -1.935 11.563 -30.867 530 HA GLU 73 HA GLU 73 -1.614 14.192 -29.619 531 HB2 GLU 73 2HB GLU 73 -0.866 15.253 -31.603 532 HB3 GLU 73 3HB GLU 73 0.156 13.838 -31.393 533 HG2 GLU 73 2HG GLU 73 -1.154 12.628 -33.048 534 HG3 GLU 73 3HG GLU 73 -2.211 14.025 -33.243 535 H VAL 74 H VAL 74 -3.383 15.461 -29.759 536 HA VAL 74 HA VAL 74 -5.541 14.632 -31.581 537 HB VAL 74 HB VAL 74 -6.013 15.575 -28.754 538 HG11 VAL 74 1HG1 VAL 74 -7.806 14.447 -30.895 539 HG12 VAL 74 2HG1 VAL 74 -8.289 14.621 -29.207 540 HG13 VAL 74 3HG1 VAL 74 -7.878 16.048 -30.159 541 HG21 VAL 74 3HG2 VAL 74 -5.278 13.533 -28.164 542 HG22 VAL 74 1HG2 VAL 74 -6.837 12.987 -28.784 543 HG23 VAL 74 2HG2 VAL 74 -5.402 12.903 -29.807 544 H SER 75 H SER 75 -6.680 16.252 -32.543 545 HA SER 75 HA SER 75 -5.665 18.970 -32.108 546 HB2 SER 75 2HB SER 75 -5.989 19.381 -34.331 547 HB3 SER 75 3HB SER 75 -5.863 17.625 -34.431 548 HG SER 75 HG SER 75 -7.708 18.205 -35.507 549 H PHE 76 H PHE 76 -7.059 20.730 -31.855 550 HA PHE 76 HA PHE 76 -9.909 20.314 -31.660 551 HB2 PHE 76 2HB PHE 76 -8.189 20.742 -29.234 552 HB3 PHE 76 3HB PHE 76 -9.853 21.316 -29.265 553 HD1 PHE 76 HD1 PHE 76 -11.497 19.391 -30.321 554 HD2 PHE 76 HD2 PHE 76 -7.891 18.756 -28.151 555 HE1 PHE 76 HE1 PHE 76 -12.283 17.149 -29.677 556 HE2 PHE 76 HE2 PHE 76 -8.670 16.513 -27.505 557 HZ PHE 76 HZ PHE 76 -10.868 15.707 -28.269 558 H ASP 77 H ASP 77 -10.980 22.417 -30.851 559 HA ASP 77 HA ASP 77 -9.429 24.743 -31.775 560 HB2 ASP 77 2HB ASP 77 -12.375 24.432 -32.325 561 HB3 ASP 77 3HB ASP 77 -11.239 25.563 -33.055 562 H VAL 78 H VAL 78 -9.854 26.701 -30.761 563 HA VAL 78 HA VAL 78 -11.541 26.525 -28.348 564 HB VAL 78 HB VAL 78 -9.087 26.650 -27.885 565 HG11 VAL 78 1HG1 VAL 78 -7.755 28.364 -28.568 566 HG12 VAL 78 2HG1 VAL 78 -8.896 28.357 -29.914 567 HG13 VAL 78 3HG1 VAL 78 -9.081 29.526 -28.607 568 HG21 VAL 78 3HG2 VAL 78 -11.187 28.359 -26.835 569 HG22 VAL 78 1HG2 VAL 78 -9.964 27.417 -25.982 570 HG23 VAL 78 2HG2 VAL 78 -9.578 29.033 -26.573 571 H LEU 79 H LEU 79 -12.948 28.159 -27.930 572 HA LEU 79 HA LEU 79 -12.922 30.488 -29.723 573 HB2 LEU 79 2HB LEU 79 -15.407 28.998 -28.903 574 HB3 LEU 79 3HB LEU 79 -15.307 30.374 -29.999 575 HG LEU 79 HG LEU 79 -13.757 28.003 -30.808 576 HD11 LEU 79 1HD1 LEU 79 -15.527 26.689 -30.116 577 HD12 LEU 79 2HD1 LEU 79 -15.968 27.067 -31.781 578 HD13 LEU 79 3HD1 LEU 79 -16.724 27.941 -30.449 579 HD21 LEU 79 3HD2 LEU 79 -14.520 28.631 -32.979 580 HD22 LEU 79 1HD2 LEU 79 -14.051 30.105 -32.132 581 HD23 LEU 79 2HD2 LEU 79 -15.757 29.691 -32.302 582 H VAL 80 H VAL 80 -12.935 32.337 -28.638 583 HA VAL 80 HA VAL 80 -13.680 32.312 -25.806 584 HB VAL 80 HB VAL 80 -11.470 33.232 -26.407 585 HG11 VAL 80 1HG1 VAL 80 -12.144 34.137 -28.616 586 HG12 VAL 80 2HG1 VAL 80 -13.008 35.431 -27.783 587 HG13 VAL 80 3HG1 VAL 80 -11.256 35.296 -27.627 588 HG21 VAL 80 3HG2 VAL 80 -13.250 35.441 -25.405 589 HG22 VAL 80 1HG2 VAL 80 -12.842 34.026 -24.434 590 HG23 VAL 80 2HG2 VAL 80 -11.569 35.117 -24.982 591 H SER 81 H SER 81 -15.353 33.452 -24.991 592 HA SER 81 HA SER 81 -16.800 35.286 -26.770 593 HB2 SER 81 2HB SER 81 -17.806 32.789 -25.528 594 HB3 SER 81 3HB SER 81 -18.880 34.186 -25.443 595 HG SER 81 HG SER 81 -18.288 32.609 -27.555 596 HA PRO 82 HA PRO 82 -17.131 37.984 -23.328 597 HB2 PRO 82 2HB PRO 82 -19.627 39.015 -23.615 598 HB3 PRO 82 3HB PRO 82 -18.286 39.433 -24.688 599 HG2 PRO 82 2HG PRO 82 -20.509 37.473 -25.109 600 HG3 PRO 82 3HG PRO 82 -19.823 38.647 -26.246 601 HD2 PRO 82 2HD PRO 82 -19.168 36.020 -26.293 602 HD3 PRO 82 3HD PRO 82 -18.023 37.298 -26.749 603 H LYS 83 H LYS 83 -17.543 37.788 -21.210 604 HA LYS 83 HA LYS 83 -18.773 35.600 -20.073 605 HB2 LYS 83 2HB LYS 83 -18.752 36.846 -17.964 606 HB3 LYS 83 3HB LYS 83 -17.247 37.069 -18.847 607 HG2 LYS 83 2HG LYS 83 -17.984 39.253 -19.602 608 HG3 LYS 83 3HG LYS 83 -19.534 39.028 -18.788 609 HD2 LYS 83 2HD LYS 83 -18.114 38.685 -16.661 610 HD3 LYS 83 3HD LYS 83 -16.813 39.432 -17.591 611 HE2 LYS 83 2HE LYS 83 -17.647 41.451 -17.194 612 HE3 LYS 83 3HE LYS 83 -19.194 40.981 -17.896 613 HZ1 LYS 83 3HZ LYS 83 -20.100 40.621 -15.880 614 HZ2 LYS 83 1HZ LYS 83 -18.901 41.696 -15.360 615 HZ3 LYS 83 2HZ LYS 83 -18.668 40.029 -15.200 616 H ALA 84 H ALA 84 -20.775 35.188 -19.149 617 HA ALA 84 HA ALA 84 -22.943 36.954 -20.068 618 HB1 ALA 84 1HB ALA 84 -23.938 35.138 -20.859 619 HB2 ALA 84 2HB ALA 84 -22.564 34.165 -20.332 620 HB3 ALA 84 3HB ALA 84 -23.935 34.414 -19.250 621 H ALA 85 H ALA 85 -25.012 36.523 -18.628 622 HA ALA 85 HA ALA 85 -24.209 37.224 -15.907 623 HB1 ALA 85 1HB ALA 85 -26.615 37.887 -15.669 624 HB2 ALA 85 2HB ALA 85 -25.715 38.780 -16.896 625 HB3 ALA 85 3HB ALA 85 -26.823 37.495 -17.377 626 H LEU 86 H LEU 86 -25.833 36.456 -14.169 627 HA LEU 86 HA LEU 86 -26.574 34.730 -12.887 628 HB2 LEU 86 2HB LEU 86 -28.260 34.779 -14.812 629 HB3 LEU 86 3HB LEU 86 -27.403 33.368 -15.431 630 HG LEU 86 HG LEU 86 -27.920 32.582 -12.885 631 HD11 LEU 86 1HD1 LEU 86 -30.296 34.219 -13.760 632 HD12 LEU 86 2HD1 LEU 86 -29.213 34.616 -12.426 633 HD13 LEU 86 3HD1 LEU 86 -30.211 33.164 -12.348 634 HD21 LEU 86 3HD2 LEU 86 -28.948 32.067 -15.540 635 HD22 LEU 86 1HD2 LEU 86 -30.174 31.795 -14.301 636 HD23 LEU 86 2HD2 LEU 86 -28.630 30.946 -14.215 637 H ASN 87 H ASN 87 -24.529 34.047 -12.208 638 HA ASN 87 HA ASN 87 -23.641 31.527 -13.437 639 HB2 ASN 87 2HB ASN 87 -22.143 33.999 -13.141 640 HB3 ASN 87 3HB ASN 87 -21.345 32.657 -12.326 641 HD21 ASN 87 1HD2 ASN 87 -23.110 33.195 -15.362 642 HD22 ASN 87 2HD2 ASN 87 -21.961 32.388 -16.368 643 H ASP 88 H ASP 88 -23.234 29.898 -12.049 644 HA ASP 88 HA ASP 88 -23.902 30.301 -9.265 645 HB2 ASP 88 2HB ASP 88 -23.554 27.802 -9.140 646 HB3 ASP 88 3HB ASP 88 -24.801 28.331 -10.267 647 H GLU 89 H GLU 89 -22.558 30.048 -7.513 648 HA GLU 89 HA GLU 89 -19.691 29.699 -8.086 649 HB2 GLU 89 2HB GLU 89 -20.902 31.680 -6.148 650 HB3 GLU 89 3HB GLU 89 -19.182 31.399 -6.383 651 HG2 GLU 89 2HG GLU 89 -19.852 31.964 -8.899 652 HG3 GLU 89 3HG GLU 89 -21.114 32.869 -8.066 Start of MODEL 2 1 H SER 1 H SER 1 6.616 1.926 -2.096 2 HA SER 1 HA SER 1 6.224 0.410 -3.802 3 HB2 SER 1 2HB SER 1 4.250 -1.269 -3.379 4 HB3 SER 1 3HB SER 1 5.802 -1.519 -2.580 5 HG SER 1 HG SER 1 3.831 0.029 -1.316 6 HA PRO 2 HA PRO 2 2.771 3.430 -4.606 7 HB2 PRO 2 2HB PRO 2 4.055 4.737 -6.609 8 HB3 PRO 2 3HB PRO 2 4.237 5.173 -4.905 9 HG2 PRO 2 2HG PRO 2 6.039 3.532 -6.643 10 HG3 PRO 2 3HG PRO 2 6.461 4.788 -5.465 11 HD2 PRO 2 2HD PRO 2 6.651 2.145 -4.908 12 HD3 PRO 2 3HD PRO 2 6.249 3.354 -3.673 13 H LYS 3 H LYS 3 1.336 3.401 -6.338 14 HA LYS 3 HA LYS 3 1.688 1.162 -8.177 15 HB2 LYS 3 2HB LYS 3 -0.654 1.225 -8.517 16 HB3 LYS 3 3HB LYS 3 -0.415 1.498 -6.796 17 HG2 LYS 3 2HG LYS 3 -0.410 4.040 -7.929 18 HG3 LYS 3 3HG LYS 3 -1.698 3.166 -8.763 19 HD2 LYS 3 2HD LYS 3 -2.506 2.448 -6.471 20 HD3 LYS 3 3HD LYS 3 -1.379 3.632 -5.805 21 HE2 LYS 3 2HE LYS 3 -3.289 4.485 -7.930 22 HE3 LYS 3 3HE LYS 3 -3.887 4.261 -6.287 23 HZ1 LYS 3 3HZ LYS 3 -2.831 6.535 -7.175 24 HZ2 LYS 3 1HZ LYS 3 -1.444 5.807 -6.535 25 HZ3 LYS 3 2HZ LYS 3 -2.795 6.065 -5.550 26 H THR 4 H THR 4 1.473 1.347 -10.420 27 HA THR 4 HA THR 4 1.719 4.088 -11.480 28 HB THR 4 HB THR 4 2.946 2.101 -13.196 29 HG1 THR 4 HG1 THR 4 3.378 1.137 -11.101 30 HG21 THR 4 3HG2 THR 4 4.928 3.731 -12.703 31 HG22 THR 4 1HG2 THR 4 3.682 4.709 -11.930 32 HG23 THR 4 2HG2 THR 4 3.542 4.292 -13.638 33 H ILE 5 H ILE 5 0.882 4.455 -13.586 34 HA ILE 5 HA ILE 5 -1.485 2.910 -14.144 35 HB ILE 5 HB ILE 5 -0.334 5.220 -15.712 36 HG12 ILE 5 2HG1 ILE 5 -2.654 5.882 -14.154 37 HG13 ILE 5 3HG1 ILE 5 -1.426 5.187 -13.101 38 HG21 ILE 5 1HG2 ILE 5 -2.112 5.102 -17.058 39 HG22 ILE 5 2HG2 ILE 5 -2.330 3.474 -16.420 40 HG23 ILE 5 3HG2 ILE 5 -3.220 4.823 -15.714 41 HD11 ILE 5 3HD1 ILE 5 -1.116 7.533 -13.112 42 HD12 ILE 5 1HD1 ILE 5 0.194 6.832 -14.062 43 HD13 ILE 5 2HD1 ILE 5 -1.173 7.597 -14.874 44 H LEU 6 H LEU 6 -1.775 1.418 -15.688 45 HA LEU 6 HA LEU 6 0.478 0.889 -17.510 46 HB2 LEU 6 2HB LEU 6 -0.740 -0.795 -15.687 47 HB3 LEU 6 3HB LEU 6 -1.458 -1.260 -17.227 48 HG LEU 6 HG LEU 6 1.421 -1.023 -17.426 49 HD11 LEU 6 1HD1 LEU 6 1.906 -3.050 -16.069 50 HD12 LEU 6 2HD1 LEU 6 0.298 -2.905 -15.360 51 HD13 LEU 6 3HD1 LEU 6 1.489 -1.628 -15.111 52 HD21 LEU 6 3HD2 LEU 6 -0.277 -2.195 -18.932 53 HD22 LEU 6 1HD2 LEU 6 -0.265 -3.487 -17.733 54 HD23 LEU 6 2HD2 LEU 6 1.223 -3.054 -18.576 55 H GLY 7 H GLY 7 -2.818 1.763 -17.304 56 HA2 GLY 7 2HA GLY 7 -3.025 1.567 -20.236 57 HA3 GLY 7 3HA GLY 7 -4.341 0.992 -19.224 58 H ILE 8 H ILE 8 -4.268 3.136 -21.252 59 HA ILE 8 HA ILE 8 -5.349 5.271 -19.548 60 HB ILE 8 HB ILE 8 -3.131 6.006 -20.258 61 HG12 ILE 8 2HG1 ILE 8 -5.356 7.428 -21.736 62 HG13 ILE 8 3HG1 ILE 8 -4.930 7.670 -20.046 63 HG21 ILE 8 1HG2 ILE 8 -2.581 6.324 -22.602 64 HG22 ILE 8 2HG2 ILE 8 -2.964 4.633 -22.285 65 HG23 ILE 8 3HG2 ILE 8 -4.149 5.671 -23.076 66 HD11 ILE 8 3HD1 ILE 8 -4.018 9.464 -21.309 67 HD12 ILE 8 1HD1 ILE 8 -2.683 8.430 -20.800 68 HD13 ILE 8 2HD1 ILE 8 -3.277 8.353 -22.460 69 H GLU 9 H GLU 9 -7.093 6.399 -20.395 70 HA GLU 9 HA GLU 9 -8.082 5.569 -23.028 71 HB2 GLU 9 2HB GLU 9 -9.208 4.802 -20.509 72 HB3 GLU 9 3HB GLU 9 -10.336 5.868 -21.335 73 HG2 GLU 9 2HG GLU 9 -10.842 4.341 -22.886 74 HG3 GLU 9 3HG GLU 9 -9.172 3.797 -23.041 75 H VAL 10 H VAL 10 -8.675 7.249 -24.227 76 HA VAL 10 HA VAL 10 -8.658 9.900 -23.127 77 HB VAL 10 HB VAL 10 -7.763 9.574 -25.343 78 HG11 VAL 10 1HG1 VAL 10 -8.987 7.670 -26.098 79 HG12 VAL 10 2HG1 VAL 10 -10.513 8.554 -26.033 80 HG13 VAL 10 3HG1 VAL 10 -9.293 8.985 -27.232 81 HG21 VAL 10 3HG2 VAL 10 -10.184 11.019 -26.147 82 HG22 VAL 10 1HG2 VAL 10 -9.466 11.575 -24.635 83 HG23 VAL 10 2HG2 VAL 10 -8.503 11.551 -26.112 84 H SER 11 H SER 11 -10.339 11.230 -22.694 85 HA SER 11 HA SER 11 -13.038 10.486 -23.487 86 HB2 SER 11 2HB SER 11 -12.411 9.435 -21.195 87 HB3 SER 11 3HB SER 11 -12.551 11.082 -20.579 88 HG SER 11 HG SER 11 -14.526 9.949 -20.411 89 H GLN 12 H GLN 12 -10.925 12.697 -23.745 90 HA GLN 12 HA GLN 12 -12.310 14.983 -22.611 91 HB2 GLN 12 2HB GLN 12 -10.466 16.290 -23.659 92 HB3 GLN 12 3HB GLN 12 -9.906 15.048 -22.547 93 HG2 GLN 12 2HG GLN 12 -9.978 13.799 -25.030 94 HG3 GLN 12 3HG GLN 12 -9.332 15.408 -25.346 95 HE21 GLN 12 1HE2 GLN 12 -7.974 15.887 -23.002 96 HE22 GLN 12 2HE2 GLN 12 -6.649 14.787 -22.872 97 H GLU 13 H GLU 13 -13.691 16.270 -23.664 98 HA GLU 13 HA GLU 13 -14.135 15.741 -26.522 99 HB2 GLU 13 2HB GLU 13 -15.913 16.307 -24.252 100 HB3 GLU 13 3HB GLU 13 -16.298 17.210 -25.710 101 HG2 GLU 13 2HG GLU 13 -16.046 14.832 -26.826 102 HG3 GLU 13 3HG GLU 13 -16.428 14.292 -25.192 103 HA PRO 14 HA PRO 14 -12.844 19.774 -27.672 104 HB2 PRO 14 2HB PRO 14 -14.506 20.285 -29.757 105 HB3 PRO 14 3HB PRO 14 -13.173 19.128 -29.852 106 HG2 PRO 14 2HG PRO 14 -16.089 18.625 -29.400 107 HG3 PRO 14 3HG PRO 14 -14.950 17.748 -30.438 108 HD2 PRO 14 2HD PRO 14 -15.689 16.842 -27.996 109 HD3 PRO 14 3HD PRO 14 -14.077 16.544 -28.677 110 H LYS 15 H LYS 15 -13.211 21.735 -26.852 111 HA LYS 15 HA LYS 15 -15.735 23.032 -26.921 112 HB2 LYS 15 2HB LYS 15 -16.322 21.596 -25.090 113 HB3 LYS 15 3HB LYS 15 -14.799 21.923 -24.273 114 HG2 LYS 15 2HG LYS 15 -15.693 23.645 -23.212 115 HG3 LYS 15 3HG LYS 15 -16.168 24.388 -24.741 116 HD2 LYS 15 2HD LYS 15 -17.823 22.124 -23.803 117 HD3 LYS 15 3HD LYS 15 -17.927 23.616 -22.865 118 HE2 LYS 15 2HE LYS 15 -19.597 23.872 -24.461 119 HE3 LYS 15 3HE LYS 15 -18.244 24.768 -25.148 120 HZ1 LYS 15 3HZ LYS 15 -19.538 23.149 -26.638 121 HZ2 LYS 15 1HZ LYS 15 -18.667 21.935 -25.843 122 HZ3 LYS 15 2HZ LYS 15 -17.848 23.132 -26.712 123 H LYS 16 H LYS 16 -13.393 23.250 -24.288 124 HA LYS 16 HA LYS 16 -12.214 25.069 -23.535 125 HB2 LYS 16 2HB LYS 16 -11.367 24.732 -26.402 126 HB3 LYS 16 3HB LYS 16 -10.621 25.940 -25.364 127 HG2 LYS 16 2HG LYS 16 -9.925 24.191 -23.814 128 HG3 LYS 16 3HG LYS 16 -10.688 22.974 -24.840 129 HD2 LYS 16 2HD LYS 16 -8.938 24.593 -26.425 130 HD3 LYS 16 3HD LYS 16 -8.065 23.996 -25.012 131 HE2 LYS 16 2HE LYS 16 -9.746 21.979 -26.294 132 HE3 LYS 16 3HE LYS 16 -8.476 22.610 -27.342 133 HZ1 LYS 16 3HZ LYS 16 -7.025 21.346 -26.279 134 HZ2 LYS 16 1HZ LYS 16 -8.242 20.747 -25.268 135 HZ3 LYS 16 2HZ LYS 16 -7.371 22.125 -24.818 136 H ASP 17 H ASP 17 -14.492 26.116 -23.503 137 HA ASP 17 HA ASP 17 -14.397 28.562 -25.146 138 HB2 ASP 17 2HB ASP 17 -16.352 26.821 -25.415 139 HB3 ASP 17 3HB ASP 17 -16.957 27.580 -23.945 140 H TYR 18 H TYR 18 -14.143 30.400 -24.068 141 HA TYR 18 HA TYR 18 -15.163 30.656 -21.348 142 HB2 TYR 18 2HB TYR 18 -12.924 31.709 -20.684 143 HB3 TYR 18 3HB TYR 18 -12.979 29.954 -20.808 144 HD1 TYR 18 HD1 TYR 18 -12.191 32.940 -22.916 145 HD2 TYR 18 HD2 TYR 18 -11.287 28.892 -21.968 146 HE1 TYR 18 HE1 TYR 18 -10.300 33.000 -24.488 147 HE2 TYR 18 HE2 TYR 18 -9.394 28.941 -23.537 148 HH TYR 18 HH TYR 18 -8.270 30.134 -25.030 149 H LEU 19 H LEU 19 -15.426 32.820 -20.656 150 HA LEU 19 HA LEU 19 -15.817 34.673 -22.851 151 HB2 LEU 19 2HB LEU 19 -17.232 35.836 -21.473 152 HB3 LEU 19 3HB LEU 19 -17.390 34.201 -20.833 153 HG LEU 19 HG LEU 19 -15.674 36.379 -19.640 154 HD11 LEU 19 1HD1 LEU 19 -17.663 37.151 -18.942 155 HD12 LEU 19 2HD1 LEU 19 -17.575 35.811 -17.800 156 HD13 LEU 19 3HD1 LEU 19 -18.494 35.635 -19.294 157 HD21 LEU 19 3HD2 LEU 19 -16.421 33.672 -18.543 158 HD22 LEU 19 1HD2 LEU 19 -15.372 34.873 -17.788 159 HD23 LEU 19 2HD2 LEU 19 -14.863 34.067 -19.272 160 H VAL 20 H VAL 20 -14.989 36.816 -22.886 161 HA VAL 20 HA VAL 20 -12.276 37.084 -22.470 162 HB VAL 20 HB VAL 20 -12.567 39.496 -22.750 163 HG11 VAL 20 1HG1 VAL 20 -14.053 39.365 -24.860 164 HG12 VAL 20 2HG1 VAL 20 -12.574 38.404 -24.800 165 HG13 VAL 20 3HG1 VAL 20 -14.137 37.641 -24.499 166 HG21 VAL 20 3HG2 VAL 20 -15.219 39.960 -23.194 167 HG22 VAL 20 1HG2 VAL 20 -15.268 38.868 -21.810 168 HG23 VAL 20 2HG2 VAL 20 -14.354 40.374 -21.714 169 H GLY 21 H GLY 21 -10.972 37.888 -20.872 170 HA2 GLY 21 2HA GLY 21 -10.544 39.045 -18.838 171 HA3 GLY 21 3HA GLY 21 -12.234 38.842 -18.400 172 H ASP 22 H ASP 22 -12.034 35.953 -19.272 173 HA ASP 22 HA ASP 22 -10.492 34.938 -16.977 174 HB2 ASP 22 2HB ASP 22 -13.133 35.018 -16.846 175 HB3 ASP 22 3HB ASP 22 -13.003 33.553 -17.815 176 H SER 23 H SER 23 -9.266 34.998 -19.348 177 HA SER 23 HA SER 23 -9.658 32.961 -21.174 178 HB2 SER 23 2HB SER 23 -7.330 33.231 -21.794 179 HB3 SER 23 3HB SER 23 -8.001 34.815 -21.405 180 HG SER 23 HG SER 23 -6.942 34.778 -19.461 181 H LEU 24 H LEU 24 -8.440 30.955 -21.482 182 HA LEU 24 HA LEU 24 -7.880 28.851 -20.828 183 HB2 LEU 24 2HB LEU 24 -6.379 30.660 -19.094 184 HB3 LEU 24 3HB LEU 24 -6.616 29.056 -18.403 185 HG LEU 24 HG LEU 24 -5.694 28.972 -21.166 186 HD11 LEU 24 1HD1 LEU 24 -4.425 30.880 -20.825 187 HD12 LEU 24 2HD1 LEU 24 -3.317 29.588 -20.365 188 HD13 LEU 24 3HD1 LEU 24 -4.151 30.518 -19.121 189 HD21 LEU 24 3HD2 LEU 24 -5.799 27.129 -19.411 190 HD22 LEU 24 1HD2 LEU 24 -4.372 27.883 -18.699 191 HD23 LEU 24 2HD2 LEU 24 -4.310 27.261 -20.349 192 H ASP 25 H ASP 25 -10.010 28.162 -20.486 193 HA ASP 25 HA ASP 25 -10.584 27.462 -17.736 194 HB2 ASP 25 2HB ASP 25 -11.656 29.778 -18.387 195 HB3 ASP 25 3HB ASP 25 -12.838 28.765 -19.211 196 H LEU 26 H LEU 26 -9.936 25.506 -19.106 197 HA LEU 26 HA LEU 26 -12.210 24.436 -20.617 198 HB2 LEU 26 2HB LEU 26 -10.174 24.297 -21.826 199 HB3 LEU 26 3HB LEU 26 -9.317 23.634 -20.437 200 HG LEU 26 HG LEU 26 -10.818 21.595 -20.674 201 HD11 LEU 26 1HD1 LEU 26 -11.287 21.706 -23.418 202 HD12 LEU 26 2HD1 LEU 26 -11.869 23.247 -22.789 203 HD13 LEU 26 3HD1 LEU 26 -12.490 21.735 -22.127 204 HD21 LEU 26 3HD2 LEU 26 -9.325 20.565 -22.149 205 HD22 LEU 26 1HD2 LEU 26 -8.394 21.887 -21.445 206 HD23 LEU 26 2HD2 LEU 26 -9.065 22.048 -23.068 207 H SER 27 H SER 27 -13.499 22.943 -19.766 208 HA SER 27 HA SER 27 -12.497 21.255 -17.586 209 HB2 SER 27 2HB SER 27 -14.645 21.572 -16.365 210 HB3 SER 27 3HB SER 27 -13.697 23.054 -16.480 211 HG SER 27 HG SER 27 -15.039 23.647 -18.261 212 H GLU 28 H GLU 28 -13.526 21.217 -20.568 213 HA GLU 28 HA GLU 28 -15.429 19.001 -20.256 214 HB2 GLU 28 2HB GLU 28 -14.963 21.052 -22.344 215 HB3 GLU 28 3HB GLU 28 -15.429 19.455 -22.912 216 HG2 GLU 28 2HG GLU 28 -17.114 20.219 -20.734 217 HG3 GLU 28 3HG GLU 28 -17.085 21.503 -21.941 218 H GLY 29 H GLY 29 -12.196 19.723 -21.081 219 HA2 GLY 29 2HA GLY 29 -11.845 17.223 -22.567 220 HA3 GLY 29 3HA GLY 29 -10.650 18.500 -22.394 221 H ARG 30 H ARG 30 -12.294 15.896 -20.656 222 HA ARG 30 HA ARG 30 -10.009 15.788 -18.801 223 HB2 ARG 30 2HB ARG 30 -11.427 14.860 -17.155 224 HB3 ARG 30 3HB ARG 30 -12.344 16.180 -17.870 225 HG2 ARG 30 2HG ARG 30 -13.022 13.961 -19.394 226 HG3 ARG 30 3HG ARG 30 -12.960 13.365 -17.734 227 HD2 ARG 30 2HD ARG 30 -14.460 15.170 -17.036 228 HD3 ARG 30 3HD ARG 30 -14.519 15.762 -18.696 229 HE ARG 30 HE ARG 30 -15.304 13.036 -18.547 230 HH11 ARG 30 1HH1 ARG 30 -16.413 16.277 -17.927 231 HH12 ARG 30 2HH1 ARG 30 -18.087 15.885 -18.142 232 HH21 ARG 30 1HH2 ARG 30 -17.504 12.507 -18.833 233 HH22 ARG 30 2HH2 ARG 30 -18.706 13.740 -18.656 234 H PHE 31 H PHE 31 -9.064 13.785 -18.318 235 HA PHE 31 HA PHE 31 -9.703 11.627 -20.220 236 HB2 PHE 31 2HB PHE 31 -7.184 11.052 -19.869 237 HB3 PHE 31 3HB PHE 31 -7.624 12.352 -20.971 238 HD1 PHE 31 HD1 PHE 31 -7.262 14.685 -20.350 239 HD2 PHE 31 HD2 PHE 31 -6.038 11.492 -17.815 240 HE1 PHE 31 HE1 PHE 31 -5.830 16.239 -19.089 241 HE2 PHE 31 HE2 PHE 31 -4.606 13.040 -16.550 242 HZ PHE 31 HZ PHE 31 -4.501 15.417 -17.185 243 H ALA 32 H ALA 32 -9.516 9.491 -19.486 244 HA ALA 32 HA ALA 32 -9.573 9.228 -16.555 245 HB1 ALA 32 1HB ALA 32 -10.580 6.989 -18.171 246 HB2 ALA 32 2HB ALA 32 -11.260 7.753 -16.733 247 HB3 ALA 32 3HB ALA 32 -11.491 8.492 -18.317 248 H VAL 33 H VAL 33 -7.851 8.332 -15.652 249 HA VAL 33 HA VAL 33 -6.152 6.564 -17.278 250 HB VAL 33 HB VAL 33 -5.342 8.752 -15.974 251 HG11 VAL 33 1HG1 VAL 33 -4.472 8.328 -13.823 252 HG12 VAL 33 2HG1 VAL 33 -6.120 7.698 -13.800 253 HG13 VAL 33 3HG1 VAL 33 -4.755 6.593 -13.965 254 HG21 VAL 33 3HG2 VAL 33 -3.148 7.131 -15.628 255 HG22 VAL 33 1HG2 VAL 33 -4.080 6.279 -16.859 256 HG23 VAL 33 2HG2 VAL 33 -3.596 7.954 -17.122 257 H ALA 34 H ALA 34 -5.620 4.534 -16.593 258 HA ALA 34 HA ALA 34 -7.052 3.555 -14.212 259 HB1 ALA 34 1HB ALA 34 -7.474 2.680 -16.673 260 HB2 ALA 34 2HB ALA 34 -6.085 1.664 -16.286 261 HB3 ALA 34 3HB ALA 34 -7.531 1.600 -15.280 262 H TYR 35 H TYR 35 -5.789 3.174 -12.525 263 HA TYR 35 HA TYR 35 -2.940 2.918 -12.794 264 HB2 TYR 35 2HB TYR 35 -4.804 2.797 -10.423 265 HB3 TYR 35 3HB TYR 35 -3.065 2.571 -10.278 266 HD1 TYR 35 HD1 TYR 35 -5.727 4.985 -11.062 267 HD2 TYR 35 HD2 TYR 35 -1.551 4.430 -10.463 268 HE1 TYR 35 HE1 TYR 35 -5.429 7.422 -10.921 269 HE2 TYR 35 HE2 TYR 35 -1.242 6.866 -10.319 270 HH TYR 35 HH TYR 35 -2.216 8.867 -10.627 271 H SER 36 H SER 36 -1.667 1.134 -12.191 272 HA SER 36 HA SER 36 -2.675 -1.380 -13.014 273 HB2 SER 36 2HB SER 36 -0.323 -0.806 -13.311 274 HB3 SER 36 3HB SER 36 -0.108 -0.685 -11.565 275 HG SER 36 HG SER 36 -0.339 -2.857 -11.377 276 H ASN 37 H ASN 37 -2.906 0.260 -10.084 277 HA ASN 37 HA ASN 37 -3.071 -2.160 -8.464 278 HB2 ASN 37 2HB ASN 37 -1.921 -0.083 -7.624 279 HB3 ASN 37 3HB ASN 37 -3.497 0.702 -7.590 280 HD21 ASN 37 1HD2 ASN 37 -2.193 -2.448 -6.592 281 HD22 ASN 37 2HD2 ASN 37 -2.860 -2.407 -4.999 282 H ASP 38 H ASP 38 -5.031 -1.400 -10.610 283 HA ASP 38 HA ASP 38 -7.269 -1.588 -10.972 284 HB2 ASP 38 2HB ASP 38 -7.611 -2.383 -8.088 285 HB3 ASP 38 3HB ASP 38 -8.562 -2.883 -9.484 286 H THR 39 H THR 39 -6.938 0.847 -10.990 287 HA THR 39 HA THR 39 -9.025 2.032 -9.364 288 HB THR 39 HB THR 39 -6.892 3.912 -9.256 289 HG1 THR 39 HG1 THR 39 -5.457 2.667 -7.901 290 HG21 THR 39 3HG2 THR 39 -8.422 2.323 -7.207 291 HG22 THR 39 1HG2 THR 39 -8.660 4.003 -7.685 292 HG23 THR 39 2HG2 THR 39 -7.228 3.543 -6.764 293 H MET 40 H MET 40 -9.759 4.065 -10.163 294 HA MET 40 HA MET 40 -8.649 4.935 -12.726 295 HB2 MET 40 2HB MET 40 -11.065 3.449 -12.454 296 HB3 MET 40 3HB MET 40 -11.487 5.089 -12.925 297 HG2 MET 40 2HG MET 40 -10.187 4.959 -14.895 298 HG3 MET 40 3HG MET 40 -9.417 3.463 -14.368 299 HE1 MET 40 3HE MET 40 -11.658 3.860 -17.451 300 HE2 MET 40 1HE MET 40 -13.145 4.259 -16.591 301 HE3 MET 40 2HE MET 40 -11.678 5.193 -16.295 302 H GLU 41 H GLU 41 -8.671 7.098 -13.001 303 HA GLU 41 HA GLU 41 -10.405 8.732 -11.299 304 HB2 GLU 41 2HB GLU 41 -7.708 8.346 -10.722 305 HB3 GLU 41 3HB GLU 41 -7.755 9.901 -11.542 306 HG2 GLU 41 2HG GLU 41 -9.881 9.853 -9.677 307 HG3 GLU 41 3HG GLU 41 -8.430 9.280 -8.857 308 H GLU 42 H GLU 42 -11.227 10.469 -12.311 309 HA GLU 42 HA GLU 42 -10.109 11.160 -14.949 310 HB2 GLU 42 2HB GLU 42 -12.333 11.657 -15.729 311 HB3 GLU 42 3HB GLU 42 -12.323 10.034 -15.054 312 HG2 GLU 42 2HG GLU 42 -13.107 11.267 -12.881 313 HG3 GLU 42 3HG GLU 42 -13.614 12.508 -14.026 314 H HIS 43 H HIS 43 -9.764 13.276 -15.419 315 HA HIS 43 HA HIS 43 -10.853 15.374 -13.751 316 HB2 HIS 43 2HB HIS 43 -8.268 14.299 -13.199 317 HB3 HIS 43 3HB HIS 43 -8.060 15.923 -13.848 318 HD1 HIS 43 HD1 HIS 43 -7.655 14.892 -10.805 319 HD2 HIS 43 HD2 HIS 43 -10.783 17.172 -12.315 320 HE1 HIS 43 HE1 HIS 43 -8.608 16.119 -8.828 321 H SER 44 H SER 44 -10.915 17.338 -14.769 322 HA SER 44 HA SER 44 -10.027 17.338 -17.566 323 HB2 SER 44 2HB SER 44 -11.708 19.582 -16.777 324 HB3 SER 44 3HB SER 44 -11.947 18.398 -18.062 325 HG SER 44 HG SER 44 -13.359 18.553 -15.945 326 H PHE 45 H PHE 45 -8.347 18.527 -18.159 327 HA PHE 45 HA PHE 45 -6.538 19.914 -17.991 328 HB2 PHE 45 2HB PHE 45 -8.503 21.431 -18.585 329 HB3 PHE 45 3HB PHE 45 -8.507 21.916 -16.892 330 HD1 PHE 45 HD1 PHE 45 -6.065 21.528 -19.689 331 HD2 PHE 45 HD2 PHE 45 -7.377 23.834 -16.361 332 HE1 PHE 45 HE1 PHE 45 -4.331 23.206 -20.173 333 HE2 PHE 45 HE2 PHE 45 -5.646 25.515 -16.839 334 HZ PHE 45 HZ PHE 45 -4.120 25.203 -18.747 335 H THR 46 H THR 46 -6.939 18.257 -15.703 336 HA THR 46 HA THR 46 -5.981 20.007 -13.535 337 HB THR 46 HB THR 46 -6.727 17.286 -12.755 338 HG1 THR 46 HG1 THR 46 -8.780 19.052 -13.647 339 HG21 THR 46 3HG2 THR 46 -7.456 20.061 -11.822 340 HG22 THR 46 1HG2 THR 46 -6.294 18.956 -11.091 341 HG23 THR 46 2HG2 THR 46 -8.017 18.583 -11.041 342 H ASP 47 H ASP 47 -5.660 16.576 -14.467 343 HA ASP 47 HA ASP 47 -3.224 16.113 -13.222 344 HB2 ASP 47 2HB ASP 47 -4.968 14.668 -14.876 345 HB3 ASP 47 3HB ASP 47 -3.411 14.627 -15.698 346 H GLU 48 H GLU 48 -1.091 16.239 -13.837 347 HA GLU 48 HA GLU 48 -0.537 18.105 -16.015 348 HB2 GLU 48 2HB GLU 48 0.533 17.737 -13.436 349 HB3 GLU 48 3HB GLU 48 1.807 17.284 -14.558 350 HG2 GLU 48 2HG GLU 48 1.995 19.392 -15.421 351 HG3 GLU 48 3HG GLU 48 0.329 19.818 -15.034 352 H GLY 49 H GLY 49 -1.195 15.172 -16.325 353 HA2 GLY 49 2HA GLY 49 1.242 13.945 -17.248 354 HA3 GLY 49 3HA GLY 49 -0.383 13.297 -17.416 355 H VAL 50 H VAL 50 -1.550 15.491 -18.772 356 HA VAL 50 HA VAL 50 -0.398 15.050 -21.417 357 HB VAL 50 HB VAL 50 -2.465 15.926 -22.313 358 HG11 VAL 50 1HG1 VAL 50 -2.320 13.677 -20.528 359 HG12 VAL 50 2HG1 VAL 50 -3.949 14.357 -20.532 360 HG13 VAL 50 3HG1 VAL 50 -3.201 13.846 -22.046 361 HG21 VAL 50 3HG2 VAL 50 -2.941 17.709 -20.793 362 HG22 VAL 50 1HG2 VAL 50 -4.306 16.592 -20.757 363 HG23 VAL 50 2HG2 VAL 50 -3.126 16.585 -19.447 364 H GLU 51 H GLU 51 0.286 16.674 -22.776 365 HA GLU 51 HA GLU 51 0.518 19.356 -21.575 366 HB2 GLU 51 2HB GLU 51 2.529 17.779 -23.171 367 HB3 GLU 51 3HB GLU 51 2.648 19.523 -22.982 368 HG2 GLU 51 2HG GLU 51 3.528 19.329 -20.959 369 HG3 GLU 51 3HG GLU 51 2.262 18.220 -20.438 370 H ILE 52 H ILE 52 -0.482 20.890 -22.683 371 HA ILE 52 HA ILE 52 -1.132 20.396 -25.507 372 HB ILE 52 HB ILE 52 -2.456 22.050 -23.384 373 HG12 ILE 52 2HG1 ILE 52 -4.473 20.860 -24.343 374 HG13 ILE 52 3HG1 ILE 52 -3.359 19.927 -25.336 375 HG21 ILE 52 1HG2 ILE 52 -2.453 23.655 -25.047 376 HG22 ILE 52 2HG2 ILE 52 -2.539 22.462 -26.342 377 HG23 ILE 52 3HG2 ILE 52 -3.964 22.801 -25.359 378 HD11 ILE 52 3HD1 ILE 52 -3.049 20.016 -22.365 379 HD12 ILE 52 1HD1 ILE 52 -4.203 18.924 -23.128 380 HD13 ILE 52 2HD1 ILE 52 -2.486 18.800 -23.511 381 H SER 53 H SER 53 -0.544 21.802 -27.091 382 HA SER 53 HA SER 53 0.773 24.306 -26.345 383 HB2 SER 53 2HB SER 53 2.127 21.949 -27.360 384 HB3 SER 53 3HB SER 53 2.337 23.323 -28.446 385 HG SER 53 HG SER 53 2.703 23.620 -25.669 386 H GLY 54 H GLY 54 0.949 25.830 -28.094 387 HA2 GLY 54 2HA GLY 54 0.510 26.379 -30.425 388 HA3 GLY 54 3HA GLY 54 -0.802 25.210 -30.389 389 H TYR 55 H TYR 55 -1.346 26.396 -27.564 390 HA TYR 55 HA TYR 55 -3.320 28.281 -28.503 391 HB2 TYR 55 2HB TYR 55 -4.062 26.795 -26.801 392 HB3 TYR 55 3HB TYR 55 -2.668 27.144 -25.786 393 HD1 TYR 55 HD2 TYR 55 -5.229 29.262 -27.508 394 HD2 TYR 55 HD1 TYR 55 -3.287 28.244 -23.861 395 HE1 TYR 55 HE2 TYR 55 -6.520 31.000 -26.342 396 HE2 TYR 55 HE1 TYR 55 -4.574 29.979 -22.685 397 HH TYR 55 HH TYR 55 -7.158 31.741 -24.270 398 H ASP 56 H ASP 56 -3.398 30.456 -28.120 399 HA ASP 56 HA ASP 56 -0.901 31.670 -27.155 400 HB2 ASP 56 2HB ASP 56 -2.978 32.523 -29.137 401 HB3 ASP 56 3HB ASP 56 -2.014 33.749 -28.318 402 H ALA 57 H ALA 57 -1.157 31.916 -24.995 403 HA ALA 57 HA ALA 57 -3.463 32.418 -23.572 404 HB1 ALA 57 1HB ALA 57 -0.631 32.526 -23.064 405 HB2 ALA 57 2HB ALA 57 -1.470 33.821 -22.210 406 HB3 ALA 57 3HB ALA 57 -1.955 32.143 -21.964 407 H GLN 58 H GLN 58 -1.505 34.637 -25.419 408 HA GLN 58 HA GLN 58 -3.170 36.883 -24.508 409 HB2 GLN 58 2HB GLN 58 -0.545 36.960 -26.005 410 HB3 GLN 58 3HB GLN 58 -1.427 38.349 -25.383 411 HG2 GLN 58 2HG GLN 58 -1.108 37.499 -23.098 412 HG3 GLN 58 3HG GLN 58 -0.168 36.157 -23.749 413 HE21 GLN 58 1HE2 GLN 58 0.448 38.506 -21.952 414 HE22 GLN 58 2HE2 GLN 58 1.867 39.207 -22.645 415 H LYS 59 H LYS 59 -4.230 34.990 -26.319 416 HA LYS 59 HA LYS 59 -5.309 36.651 -28.284 417 HB2 LYS 59 2HB LYS 59 -2.744 35.864 -28.991 418 HB3 LYS 59 3HB LYS 59 -3.777 34.738 -29.862 419 HG2 LYS 59 2HG LYS 59 -4.813 36.441 -31.074 420 HG3 LYS 59 3HG LYS 59 -4.264 37.693 -29.957 421 HD2 LYS 59 2HD LYS 59 -2.017 37.504 -30.728 422 HD3 LYS 59 3HD LYS 59 -2.393 36.047 -31.652 423 HE2 LYS 59 2HE LYS 59 -4.101 37.617 -32.860 424 HE3 LYS 59 3HE LYS 59 -3.063 38.898 -32.237 425 HZ1 LYS 59 3HZ LYS 59 -1.876 38.536 -34.074 426 HZ2 LYS 59 1HZ LYS 59 -2.591 37.033 -34.375 427 HZ3 LYS 59 2HZ LYS 59 -1.295 37.152 -33.295 428 H THR 60 H THR 60 -7.271 35.787 -28.308 429 HA THR 60 HA THR 60 -7.513 32.874 -28.679 430 HB THR 60 HB THR 60 -9.372 32.744 -27.208 431 HG1 THR 60 HG1 THR 60 -9.229 35.543 -26.739 432 HG21 THR 60 3HG2 THR 60 -8.421 33.285 -25.099 433 HG22 THR 60 1HG2 THR 60 -7.457 34.589 -25.791 434 HG23 THR 60 2HG2 THR 60 -7.072 32.910 -26.171 435 H GLY 61 H GLY 61 -10.193 32.632 -29.018 436 HA2 GLY 61 2HA GLY 61 -12.027 33.631 -30.273 437 HA3 GLY 61 3HA GLY 61 -10.824 34.454 -31.254 438 H ARG 62 H ARG 62 -9.192 31.912 -31.277 439 HA ARG 62 HA ARG 62 -10.524 29.777 -32.403 440 HB2 ARG 62 2HB ARG 62 -10.424 32.056 -34.176 441 HB3 ARG 62 3HB ARG 62 -9.543 30.699 -34.864 442 HG2 ARG 62 2HG ARG 62 -11.797 29.463 -34.017 443 HG3 ARG 62 3HG ARG 62 -12.420 31.061 -34.431 444 HD2 ARG 62 2HD ARG 62 -10.790 29.277 -36.237 445 HD3 ARG 62 3HD ARG 62 -12.533 29.522 -36.333 446 HE ARG 62 HE ARG 62 -11.566 32.029 -36.548 447 HH11 ARG 62 1HH1 ARG 62 -10.818 29.052 -38.191 448 HH12 ARG 62 2HH1 ARG 62 -10.370 29.830 -39.673 449 HH21 ARG 62 1HH2 ARG 62 -10.979 33.065 -38.493 450 HH22 ARG 62 2HH2 ARG 62 -10.461 32.113 -39.843 451 H GLN 63 H GLN 63 -8.698 29.102 -31.043 452 HA GLN 63 HA GLN 63 -6.178 29.011 -32.567 453 HB2 GLN 63 2HB GLN 63 -6.300 28.591 -29.600 454 HB3 GLN 63 3HB GLN 63 -4.937 29.092 -30.592 455 HG2 GLN 63 2HG GLN 63 -7.360 30.765 -29.966 456 HG3 GLN 63 3HG GLN 63 -5.777 30.913 -29.203 457 HE21 GLN 63 1HE2 GLN 63 -7.493 32.698 -30.953 458 HE22 GLN 63 2HE2 GLN 63 -6.408 33.245 -32.181 459 H THR 64 H THR 64 -5.114 27.061 -32.767 460 HA THR 64 HA THR 64 -6.751 24.701 -32.193 461 HB THR 64 HB THR 64 -4.994 23.568 -33.703 462 HG1 THR 64 HG1 THR 64 -3.491 25.324 -33.650 463 HG21 THR 64 3HG2 THR 64 -7.188 23.886 -34.541 464 HG22 THR 64 1HG2 THR 64 -6.102 24.529 -35.772 465 HG23 THR 64 2HG2 THR 64 -6.958 25.628 -34.690 466 H LEU 65 H LEU 65 -6.309 23.600 -30.408 467 HA LEU 65 HA LEU 65 -3.603 23.706 -29.287 468 HB2 LEU 65 2HB LEU 65 -6.187 22.748 -28.066 469 HB3 LEU 65 3HB LEU 65 -4.631 22.818 -27.243 470 HG LEU 65 HG LEU 65 -4.835 25.385 -27.936 471 HD11 LEU 65 1HD1 LEU 65 -7.635 24.321 -27.913 472 HD12 LEU 65 2HD1 LEU 65 -6.873 25.428 -29.055 473 HD13 LEU 65 3HD1 LEU 65 -7.283 25.981 -27.431 474 HD21 LEU 65 3HD2 LEU 65 -5.983 23.938 -25.569 475 HD22 LEU 65 1HD2 LEU 65 -5.982 25.699 -25.674 476 HD23 LEU 65 2HD2 LEU 65 -4.457 24.813 -25.697 477 H THR 66 H THR 66 -2.451 21.850 -28.760 478 HA THR 66 HA THR 66 -3.531 19.301 -29.751 479 HB THR 66 HB THR 66 -0.628 19.698 -30.132 480 HG1 THR 66 HG1 THR 66 -2.505 20.924 -31.894 481 HG21 THR 66 3HG2 THR 66 -1.089 17.773 -31.178 482 HG22 THR 66 1HG2 THR 66 -1.770 18.764 -32.466 483 HG23 THR 66 2HG2 THR 66 -2.819 18.110 -31.208 484 H LEU 67 H LEU 67 -3.583 17.922 -28.111 485 HA LEU 67 HA LEU 67 -1.629 18.196 -25.943 486 HB2 LEU 67 2HB LEU 67 -3.147 17.210 -24.526 487 HB3 LEU 67 3HB LEU 67 -4.200 18.093 -25.629 488 HG LEU 67 HG LEU 67 -4.233 15.756 -26.881 489 HD11 LEU 67 1HD1 LEU 67 -3.025 14.256 -25.722 490 HD12 LEU 67 2HD1 LEU 67 -4.469 14.157 -24.715 491 HD13 LEU 67 3HD1 LEU 67 -3.119 15.179 -24.222 492 HD21 LEU 67 3HD2 LEU 67 -6.237 16.791 -26.178 493 HD22 LEU 67 1HD2 LEU 67 -5.832 16.590 -24.473 494 HD23 LEU 67 2HD2 LEU 67 -6.242 15.182 -25.454 495 H HIS 68 H HIS 68 -0.104 16.707 -25.561 496 HA HIS 68 HA HIS 68 -0.238 14.175 -27.064 497 HB2 HIS 68 2HB HIS 68 1.560 16.125 -27.596 498 HB3 HIS 68 3HB HIS 68 2.439 15.225 -26.363 499 HD1 HIS 68 HD1 HIS 68 2.195 15.383 -29.853 500 HD2 HIS 68 HD2 HIS 68 2.247 12.239 -27.137 501 HE1 HIS 68 HE1 HIS 68 2.879 13.359 -31.180 502 H TYR 69 H TYR 69 -0.607 12.599 -25.652 503 HA TYR 69 HA TYR 69 1.087 12.429 -23.271 504 HB2 TYR 69 2HB TYR 69 -1.075 13.452 -22.588 505 HB3 TYR 69 3HB TYR 69 -1.911 12.026 -23.191 506 HD1 TYR 69 HD2 TYR 69 1.282 12.128 -21.299 507 HD2 TYR 69 HD1 TYR 69 -2.859 11.155 -21.226 508 HE1 TYR 69 HE2 TYR 69 1.584 11.034 -19.116 509 HE2 TYR 69 HE1 TYR 69 -2.570 10.059 -19.043 510 HH TYR 69 HH TYR 69 0.627 9.794 -17.531 511 H GLN 70 H GLN 70 1.929 10.464 -23.030 512 HA GLN 70 HA GLN 70 2.368 8.253 -23.324 513 HB2 GLN 70 2HB GLN 70 -0.611 8.021 -23.776 514 HB3 GLN 70 3HB GLN 70 0.484 6.707 -23.368 515 HG2 GLN 70 2HG GLN 70 0.987 8.290 -21.297 516 HG3 GLN 70 3HG GLN 70 -0.648 8.840 -21.658 517 HE21 GLN 70 1HE2 GLN 70 -0.879 7.915 -19.423 518 HE22 GLN 70 2HE2 GLN 70 -1.317 6.248 -19.308 519 H GLY 71 H GLY 71 2.230 10.142 -25.641 520 HA2 GLY 71 2HA GLY 71 3.002 9.742 -27.827 521 HA3 GLY 71 3HA GLY 71 2.419 8.089 -27.706 522 H HIS 72 H HIS 72 -0.184 9.314 -26.621 523 HA HIS 72 HA HIS 72 -1.512 9.393 -29.163 524 HB2 HIS 72 2HB HIS 72 -2.252 8.856 -26.496 525 HB3 HIS 72 3HB HIS 72 -3.196 10.258 -26.992 526 HD1 HIS 72 HD1 HIS 72 -4.371 9.833 -29.510 527 HD2 HIS 72 HD2 HIS 72 -3.463 6.538 -27.148 528 HE1 HIS 72 HE1 HIS 72 -5.794 7.958 -30.396 529 H GLU 73 H GLU 73 -2.246 11.113 -30.279 530 HA GLU 73 HA GLU 73 -1.837 13.775 -29.082 531 HB2 GLU 73 2HB GLU 73 -0.289 13.100 -30.990 532 HB3 GLU 73 3HB GLU 73 -1.704 13.164 -32.031 533 HG2 GLU 73 2HG GLU 73 -1.769 15.577 -30.694 534 HG3 GLU 73 3HG GLU 73 -0.054 15.310 -31.002 535 H VAL 74 H VAL 74 -3.484 15.201 -29.146 536 HA VAL 74 HA VAL 74 -5.852 14.523 -30.755 537 HB VAL 74 HB VAL 74 -6.031 15.577 -27.934 538 HG11 VAL 74 1HG1 VAL 74 -7.934 16.123 -29.323 539 HG12 VAL 74 2HG1 VAL 74 -8.084 14.439 -29.830 540 HG13 VAL 74 3HG1 VAL 74 -8.390 14.887 -28.151 541 HG21 VAL 74 3HG2 VAL 74 -7.026 13.091 -27.730 542 HG22 VAL 74 1HG2 VAL 74 -5.777 12.814 -28.943 543 HG23 VAL 74 2HG2 VAL 74 -5.346 13.493 -27.374 544 H SER 75 H SER 75 -6.801 16.202 -31.771 545 HA SER 75 HA SER 75 -5.622 18.859 -31.333 546 HB2 SER 75 2HB SER 75 -5.378 17.905 -33.606 547 HB3 SER 75 3HB SER 75 -7.135 17.820 -33.743 548 HG SER 75 HG SER 75 -7.225 20.052 -33.644 549 H PHE 76 H PHE 76 -6.894 20.657 -31.023 550 HA PHE 76 HA PHE 76 -9.790 20.378 -31.007 551 HB2 PHE 76 2HB PHE 76 -8.157 20.981 -28.542 552 HB3 PHE 76 3HB PHE 76 -9.861 21.406 -28.676 553 HD1 PHE 76 HD1 PHE 76 -11.180 19.212 -29.834 554 HD2 PHE 76 HD2 PHE 76 -7.849 19.168 -27.184 555 HE1 PHE 76 HE1 PHE 76 -11.802 16.949 -29.094 556 HE2 PHE 76 HE2 PHE 76 -8.466 16.905 -26.441 557 HZ PHE 76 HZ PHE 76 -10.444 15.792 -27.397 558 H ASP 77 H ASP 77 -10.803 22.556 -30.328 559 HA ASP 77 HA ASP 77 -9.132 24.788 -31.265 560 HB2 ASP 77 2HB ASP 77 -11.553 23.708 -32.484 561 HB3 ASP 77 3HB ASP 77 -11.686 25.429 -32.128 562 H VAL 78 H VAL 78 -9.600 26.812 -30.390 563 HA VAL 78 HA VAL 78 -11.434 26.772 -28.081 564 HB VAL 78 HB VAL 78 -9.019 26.910 -27.469 565 HG11 VAL 78 1HG1 VAL 78 -8.239 28.193 -29.393 566 HG12 VAL 78 2HG1 VAL 78 -9.167 29.591 -28.846 567 HG13 VAL 78 3HG1 VAL 78 -7.814 28.997 -27.882 568 HG21 VAL 78 3HG2 VAL 78 -11.159 28.690 -26.656 569 HG22 VAL 78 1HG2 VAL 78 -9.988 27.809 -25.674 570 HG23 VAL 78 2HG2 VAL 78 -9.566 29.383 -26.348 571 H LEU 79 H LEU 79 -12.878 28.403 -27.864 572 HA LEU 79 HA LEU 79 -12.688 30.693 -29.690 573 HB2 LEU 79 2HB LEU 79 -14.464 28.581 -30.035 574 HB3 LEU 79 3HB LEU 79 -15.427 29.849 -29.280 575 HG LEU 79 HG LEU 79 -15.708 30.071 -31.620 576 HD11 LEU 79 1HD1 LEU 79 -14.780 32.282 -32.069 577 HD12 LEU 79 2HD1 LEU 79 -13.668 32.097 -30.714 578 HD13 LEU 79 3HD1 LEU 79 -15.405 32.174 -30.423 579 HD21 LEU 79 3HD2 LEU 79 -13.821 30.302 -33.171 580 HD22 LEU 79 1HD2 LEU 79 -13.817 28.738 -32.356 581 HD23 LEU 79 2HD2 LEU 79 -12.700 30.003 -31.842 582 H VAL 80 H VAL 80 -13.016 32.577 -28.701 583 HA VAL 80 HA VAL 80 -14.067 32.541 -25.962 584 HB VAL 80 HB VAL 80 -11.810 33.549 -26.404 585 HG11 VAL 80 1HG1 VAL 80 -13.439 35.682 -27.780 586 HG12 VAL 80 2HG1 VAL 80 -11.716 35.776 -27.410 587 HG13 VAL 80 3HG1 VAL 80 -12.309 34.577 -28.561 588 HG21 VAL 80 3HG2 VAL 80 -14.049 35.085 -25.145 589 HG22 VAL 80 1HG2 VAL 80 -12.739 34.188 -24.378 590 HG23 VAL 80 2HG2 VAL 80 -12.411 35.737 -25.155 591 H SER 81 H SER 81 -15.858 33.644 -25.370 592 HA SER 81 HA SER 81 -17.299 35.084 -27.501 593 HB2 SER 81 2HB SER 81 -18.903 33.552 -27.095 594 HB3 SER 81 3HB SER 81 -18.147 33.038 -25.587 595 HG SER 81 HG SER 81 -20.056 33.965 -25.016 596 HA PRO 82 HA PRO 82 -17.373 38.754 -25.099 597 HB2 PRO 82 2HB PRO 82 -19.847 39.734 -25.635 598 HB3 PRO 82 3HB PRO 82 -18.537 39.734 -26.821 599 HG2 PRO 82 2HG PRO 82 -20.828 37.830 -26.531 600 HG3 PRO 82 3HG PRO 82 -20.153 38.551 -28.003 601 HD2 PRO 82 2HD PRO 82 -19.574 36.024 -27.222 602 HD3 PRO 82 3HD PRO 82 -18.411 37.044 -28.094 603 H LYS 83 H LYS 83 -17.289 38.126 -22.958 604 HA LYS 83 HA LYS 83 -17.996 37.680 -20.837 605 HB2 LYS 83 2HB LYS 83 -19.334 39.915 -21.776 606 HB3 LYS 83 3HB LYS 83 -20.624 38.923 -21.108 607 HG2 LYS 83 2HG LYS 83 -19.217 38.743 -19.013 608 HG3 LYS 83 3HG LYS 83 -18.205 40.013 -19.703 609 HD2 LYS 83 2HD LYS 83 -21.128 40.495 -19.662 610 HD3 LYS 83 3HD LYS 83 -20.290 40.523 -18.108 611 HE2 LYS 83 2HE LYS 83 -19.526 42.563 -18.536 612 HE3 LYS 83 3HE LYS 83 -18.743 41.981 -20.005 613 HZ1 LYS 83 3HZ LYS 83 -21.348 42.170 -20.723 614 HZ2 LYS 83 1HZ LYS 83 -20.157 43.326 -21.052 615 HZ3 LYS 83 2HZ LYS 83 -21.159 43.504 -19.701 616 H ALA 84 H ALA 84 -20.405 37.191 -19.660 617 HA ALA 84 HA ALA 84 -22.153 35.479 -21.020 618 HB1 ALA 84 1HB ALA 84 -20.744 33.598 -19.349 619 HB2 ALA 84 2HB ALA 84 -21.190 33.476 -21.051 620 HB3 ALA 84 3HB ALA 84 -19.682 34.264 -20.590 621 H ALA 85 H ALA 85 -22.946 33.704 -19.133 622 HA ALA 85 HA ALA 85 -23.607 35.437 -16.843 623 HB1 ALA 85 1HB ALA 85 -25.749 34.952 -17.156 624 HB2 ALA 85 2HB ALA 85 -25.298 34.115 -18.642 625 HB3 ALA 85 3HB ALA 85 -25.410 33.221 -17.126 626 H LEU 86 H LEU 86 -24.440 33.951 -14.933 627 HA LEU 86 HA LEU 86 -22.158 32.376 -14.153 628 HB2 LEU 86 2HB LEU 86 -23.177 32.265 -11.996 629 HB3 LEU 86 3HB LEU 86 -23.341 33.909 -12.609 630 HG LEU 86 HG LEU 86 -25.711 32.851 -13.379 631 HD11 LEU 86 1HD1 LEU 86 -25.350 30.713 -12.343 632 HD12 LEU 86 2HD1 LEU 86 -26.583 31.588 -11.436 633 HD13 LEU 86 3HD1 LEU 86 -24.938 31.480 -10.809 634 HD21 LEU 86 3HD2 LEU 86 -26.677 34.137 -11.644 635 HD22 LEU 86 1HD2 LEU 86 -25.175 34.950 -12.083 636 HD23 LEU 86 2HD2 LEU 86 -25.249 33.965 -10.622 637 H ASN 87 H ASN 87 -22.599 30.244 -12.973 638 HA ASN 87 HA ASN 87 -24.785 28.669 -14.014 639 HB2 ASN 87 2HB ASN 87 -22.923 28.692 -15.786 640 HB3 ASN 87 3HB ASN 87 -21.997 27.718 -14.648 641 HD21 ASN 87 1HD2 ASN 87 -25.032 27.856 -16.431 642 HD22 ASN 87 2HD2 ASN 87 -25.241 26.146 -16.563 643 H ASP 88 H ASP 88 -25.145 26.783 -12.853 644 HA ASP 88 HA ASP 88 -23.575 26.557 -10.381 645 HB2 ASP 88 2HB ASP 88 -25.568 25.272 -9.541 646 HB3 ASP 88 3HB ASP 88 -25.896 26.957 -9.937 647 H GLU 89 H GLU 89 -23.516 24.264 -9.466 648 HA GLU 89 HA GLU 89 -23.412 22.162 -11.462 649 HB2 GLU 89 2HB GLU 89 -21.139 23.551 -11.203 650 HB3 GLU 89 3HB GLU 89 -20.923 22.435 -9.862 651 HG2 GLU 89 2HG GLU 89 -21.545 21.548 -12.664 652 HG3 GLU 89 3HG GLU 89 -19.907 21.728 -12.039 Start of MODEL 3 1 H SER 1 H SER 1 3.336 0.592 0.309 2 HA SER 1 HA SER 1 4.795 1.414 -1.231 3 HB2 SER 1 2HB SER 1 4.371 -0.076 -3.554 4 HB3 SER 1 3HB SER 1 5.543 -0.423 -2.283 5 HG SER 1 HG SER 1 4.330 -2.009 -1.594 6 HA PRO 2 HA PRO 2 2.742 4.317 -3.799 7 HB2 PRO 2 2HB PRO 2 4.565 4.758 -5.761 8 HB3 PRO 2 3HB PRO 2 4.775 5.342 -4.106 9 HG2 PRO 2 2HG PRO 2 5.943 2.921 -5.423 10 HG3 PRO 2 3HG PRO 2 6.723 4.094 -4.346 11 HD2 PRO 2 2HD PRO 2 5.860 1.676 -3.486 12 HD3 PRO 2 3HD PRO 2 5.856 3.116 -2.447 13 H LYS 3 H LYS 3 1.302 4.357 -5.442 14 HA LYS 3 HA LYS 3 1.369 2.112 -7.346 15 HB2 LYS 3 2HB LYS 3 -1.004 2.175 -7.438 16 HB3 LYS 3 3HB LYS 3 -0.574 2.259 -5.735 17 HG2 LYS 3 2HG LYS 3 -0.949 4.661 -5.739 18 HG3 LYS 3 3HG LYS 3 -1.336 4.607 -7.460 19 HD2 LYS 3 2HD LYS 3 -3.294 3.304 -7.055 20 HD3 LYS 3 3HD LYS 3 -2.846 3.051 -5.366 21 HE2 LYS 3 2HE LYS 3 -2.989 5.568 -5.101 22 HE3 LYS 3 3HE LYS 3 -3.748 5.598 -6.692 23 HZ1 LYS 3 3HZ LYS 3 -4.892 4.951 -4.177 24 HZ2 LYS 3 1HZ LYS 3 -5.091 3.666 -5.260 25 HZ3 LYS 3 2HZ LYS 3 -5.657 5.208 -5.664 26 H THR 4 H THR 4 1.374 2.504 -9.487 27 HA THR 4 HA THR 4 1.113 5.309 -10.358 28 HB THR 4 HB THR 4 2.675 4.483 -12.287 29 HG1 THR 4 HG1 THR 4 3.898 2.747 -11.824 30 HG21 THR 4 3HG2 THR 4 4.428 5.549 -11.250 31 HG22 THR 4 1HG2 THR 4 4.121 4.777 -9.695 32 HG23 THR 4 2HG2 THR 4 3.087 6.096 -10.244 33 H ILE 5 H ILE 5 0.612 5.501 -12.733 34 HA ILE 5 HA ILE 5 -1.742 4.001 -13.311 35 HB ILE 5 HB ILE 5 -2.068 5.403 -15.136 36 HG12 ILE 5 2HG1 ILE 5 -0.034 4.931 -16.363 37 HG13 ILE 5 3HG1 ILE 5 -0.229 6.676 -16.233 38 HG21 ILE 5 1HG2 ILE 5 -1.669 7.619 -14.354 39 HG22 ILE 5 2HG2 ILE 5 -1.934 6.597 -12.942 40 HG23 ILE 5 3HG2 ILE 5 -0.298 7.089 -13.379 41 HD11 ILE 5 3HD1 ILE 5 1.616 4.946 -14.605 42 HD12 ILE 5 1HD1 ILE 5 2.070 6.081 -15.877 43 HD13 ILE 5 2HD1 ILE 5 1.380 6.678 -14.367 44 H LEU 6 H LEU 6 -1.997 3.161 -15.677 45 HA LEU 6 HA LEU 6 0.365 1.768 -16.647 46 HB2 LEU 6 2HB LEU 6 -1.079 0.436 -14.858 47 HB3 LEU 6 3HB LEU 6 -2.053 0.084 -16.284 48 HG LEU 6 HG LEU 6 0.615 -0.455 -16.999 49 HD11 LEU 6 1HD1 LEU 6 -0.063 -1.315 -14.214 50 HD12 LEU 6 2HD1 LEU 6 1.439 -0.634 -14.838 51 HD13 LEU 6 3HD1 LEU 6 0.992 -2.295 -15.231 52 HD21 LEU 6 3HD2 LEU 6 -1.615 -1.542 -17.636 53 HD22 LEU 6 1HD2 LEU 6 -1.408 -2.514 -16.178 54 HD23 LEU 6 2HD2 LEU 6 -0.207 -2.593 -17.467 55 H GLY 7 H GLY 7 -3.115 2.341 -16.994 56 HA2 GLY 7 2HA GLY 7 -2.729 2.255 -19.924 57 HA3 GLY 7 3HA GLY 7 -4.200 1.701 -19.137 58 H ILE 8 H ILE 8 -4.037 3.673 -21.195 59 HA ILE 8 HA ILE 8 -5.095 5.988 -19.715 60 HB ILE 8 HB ILE 8 -2.882 6.529 -20.680 61 HG12 ILE 8 2HG1 ILE 8 -5.050 8.085 -20.607 62 HG13 ILE 8 3HG1 ILE 8 -3.517 8.650 -21.262 63 HG21 ILE 8 1HG2 ILE 8 -2.744 6.761 -23.171 64 HG22 ILE 8 2HG2 ILE 8 -2.807 5.100 -22.583 65 HG23 ILE 8 3HG2 ILE 8 -4.248 5.845 -23.275 66 HD11 ILE 8 3HD1 ILE 8 -4.255 8.523 -23.442 67 HD12 ILE 8 1HD1 ILE 8 -5.531 7.370 -23.053 68 HD13 ILE 8 2HD1 ILE 8 -5.696 9.061 -22.580 69 H GLU 9 H GLU 9 -6.917 6.957 -20.543 70 HA GLU 9 HA GLU 9 -8.044 5.843 -23.014 71 HB2 GLU 9 2HB GLU 9 -8.978 5.257 -20.418 72 HB3 GLU 9 3HB GLU 9 -10.141 6.374 -21.118 73 HG2 GLU 9 2HG GLU 9 -9.907 4.730 -23.183 74 HG3 GLU 9 3HG GLU 9 -9.455 3.603 -21.905 75 H VAL 10 H VAL 10 -8.712 7.374 -24.363 76 HA VAL 10 HA VAL 10 -8.624 10.133 -23.608 77 HB VAL 10 HB VAL 10 -7.939 9.506 -25.840 78 HG11 VAL 10 1HG1 VAL 10 -10.413 8.974 -27.125 79 HG12 VAL 10 2HG1 VAL 10 -8.998 7.928 -26.985 80 HG13 VAL 10 3HG1 VAL 10 -10.261 7.875 -25.755 81 HG21 VAL 10 3HG2 VAL 10 -8.710 11.402 -26.759 82 HG22 VAL 10 1HG2 VAL 10 -10.395 10.904 -26.603 83 HG23 VAL 10 2HG2 VAL 10 -9.556 11.619 -25.226 84 H SER 11 H SER 11 -10.229 11.428 -22.971 85 HA SER 11 HA SER 11 -12.999 10.737 -23.550 86 HB2 SER 11 2HB SER 11 -11.910 9.999 -21.115 87 HB3 SER 11 3HB SER 11 -12.697 11.535 -20.754 88 HG SER 11 HG SER 11 -13.931 9.381 -20.725 89 H GLN 12 H GLN 12 -10.995 12.867 -24.202 90 HA GLN 12 HA GLN 12 -12.113 15.231 -22.934 91 HB2 GLN 12 2HB GLN 12 -10.444 16.438 -24.369 92 HB3 GLN 12 3HB GLN 12 -9.745 15.277 -23.248 93 HG2 GLN 12 2HG GLN 12 -10.337 14.085 -25.820 94 HG3 GLN 12 3HG GLN 12 -9.247 15.464 -25.955 95 HE21 GLN 12 1HE2 GLN 12 -7.665 13.908 -26.639 96 HE22 GLN 12 2HE2 GLN 12 -6.796 12.990 -25.461 97 H GLU 13 H GLU 13 -13.617 16.520 -23.799 98 HA GLU 13 HA GLU 13 -14.535 15.902 -26.524 99 HB2 GLU 13 2HB GLU 13 -15.930 16.910 -24.071 100 HB3 GLU 13 3HB GLU 13 -16.599 17.257 -25.659 101 HG2 GLU 13 2HG GLU 13 -16.639 14.836 -26.133 102 HG3 GLU 13 3HG GLU 13 -16.069 14.535 -24.492 103 HA PRO 14 HA PRO 14 -13.355 19.855 -28.023 104 HB2 PRO 14 2HB PRO 14 -15.314 20.330 -29.842 105 HB3 PRO 14 3HB PRO 14 -14.035 19.136 -30.096 106 HG2 PRO 14 2HG PRO 14 -16.853 18.725 -29.175 107 HG3 PRO 14 3HG PRO 14 -15.909 17.781 -30.342 108 HD2 PRO 14 2HD PRO 14 -16.273 16.986 -27.779 109 HD3 PRO 14 3HD PRO 14 -14.794 16.622 -28.691 110 H LYS 15 H LYS 15 -13.550 21.851 -27.231 111 HA LYS 15 HA LYS 15 -16.004 23.237 -26.984 112 HB2 LYS 15 2HB LYS 15 -16.398 21.835 -25.066 113 HB3 LYS 15 3HB LYS 15 -14.786 22.156 -24.440 114 HG2 LYS 15 2HG LYS 15 -16.444 23.409 -23.204 115 HG3 LYS 15 3HG LYS 15 -15.388 24.503 -24.099 116 HD2 LYS 15 2HD LYS 15 -17.112 25.352 -25.226 117 HD3 LYS 15 3HD LYS 15 -17.673 23.744 -25.689 118 HE2 LYS 15 2HE LYS 15 -18.161 24.806 -22.931 119 HE3 LYS 15 3HE LYS 15 -19.218 25.256 -24.268 120 HZ1 LYS 15 3HZ LYS 15 -20.293 23.406 -23.590 121 HZ2 LYS 15 1HZ LYS 15 -18.913 22.690 -22.924 122 HZ3 LYS 15 2HZ LYS 15 -19.170 22.638 -24.595 123 H LYS 16 H LYS 16 -13.309 23.368 -24.698 124 HA LYS 16 HA LYS 16 -11.907 25.091 -24.157 125 HB2 LYS 16 2HB LYS 16 -11.565 25.526 -27.109 126 HB3 LYS 16 3HB LYS 16 -10.359 25.630 -25.833 127 HG2 LYS 16 2HG LYS 16 -11.282 22.996 -25.765 128 HG3 LYS 16 3HG LYS 16 -11.097 23.392 -27.475 129 HD2 LYS 16 2HD LYS 16 -8.971 22.690 -27.003 130 HD3 LYS 16 3HD LYS 16 -8.809 24.408 -26.630 131 HE2 LYS 16 2HE LYS 16 -8.957 24.022 -24.312 132 HE3 LYS 16 3HE LYS 16 -9.566 22.384 -24.542 133 HZ1 LYS 16 3HZ LYS 16 -6.877 23.291 -24.374 134 HZ2 LYS 16 1HZ LYS 16 -7.131 22.438 -25.813 135 HZ3 LYS 16 2HZ LYS 16 -7.479 21.711 -24.326 136 H ASP 17 H ASP 17 -14.270 26.085 -23.770 137 HA ASP 17 HA ASP 17 -14.378 28.642 -25.229 138 HB2 ASP 17 2HB ASP 17 -16.735 28.759 -24.688 139 HB3 ASP 17 3HB ASP 17 -16.396 27.206 -25.447 140 H TYR 18 H TYR 18 -13.730 30.364 -24.136 141 HA TYR 18 HA TYR 18 -14.128 30.433 -21.224 142 HB2 TYR 18 2HB TYR 18 -11.688 31.724 -22.341 143 HB3 TYR 18 3HB TYR 18 -11.950 30.994 -20.761 144 HD1 TYR 18 HD1 TYR 18 -12.602 28.311 -21.105 145 HD2 TYR 18 HD2 TYR 18 -10.056 30.669 -23.566 146 HE1 TYR 18 HE1 TYR 18 -11.446 26.272 -21.852 147 HE2 TYR 18 HE2 TYR 18 -8.894 28.636 -24.321 148 HH TYR 18 HH TYR 18 -8.961 26.382 -24.355 149 H LEU 19 H LEU 19 -14.596 32.432 -20.346 150 HA LEU 19 HA LEU 19 -15.623 34.387 -22.213 151 HB2 LEU 19 2HB LEU 19 -16.359 35.551 -20.110 152 HB3 LEU 19 3HB LEU 19 -17.026 33.941 -20.374 153 HG LEU 19 HG LEU 19 -14.706 33.611 -18.804 154 HD11 LEU 19 1HD1 LEU 19 -15.149 34.998 -16.877 155 HD12 LEU 19 2HD1 LEU 19 -16.514 35.754 -17.698 156 HD13 LEU 19 3HD1 LEU 19 -14.874 36.015 -18.292 157 HD21 LEU 19 3HD2 LEU 19 -16.546 32.130 -18.646 158 HD22 LEU 19 1HD2 LEU 19 -17.659 33.440 -18.253 159 HD23 LEU 19 2HD2 LEU 19 -16.431 32.948 -17.086 160 H VAL 20 H VAL 20 -14.973 36.532 -22.384 161 HA VAL 20 HA VAL 20 -12.288 37.108 -22.396 162 HB VAL 20 HB VAL 20 -12.989 39.548 -22.312 163 HG11 VAL 20 1HG1 VAL 20 -12.763 38.130 -24.379 164 HG12 VAL 20 2HG1 VAL 20 -14.511 37.891 -24.313 165 HG13 VAL 20 3HG1 VAL 20 -13.849 39.512 -24.525 166 HG21 VAL 20 3HG2 VAL 20 -15.055 40.150 -21.727 167 HG22 VAL 20 1HG2 VAL 20 -15.784 38.936 -22.778 168 HG23 VAL 20 2HG2 VAL 20 -15.275 38.500 -21.146 169 H GLY 21 H GLY 21 -10.795 37.772 -20.959 170 HA2 GLY 21 2HA GLY 21 -9.907 38.643 -18.999 171 HA3 GLY 21 3HA GLY 21 -11.540 38.982 -18.446 172 H ASP 22 H ASP 22 -11.125 35.798 -19.535 173 HA ASP 22 HA ASP 22 -10.829 34.862 -16.756 174 HB2 ASP 22 2HB ASP 22 -13.075 34.546 -18.113 175 HB3 ASP 22 3HB ASP 22 -12.200 33.191 -18.820 176 H SER 23 H SER 23 -9.788 34.572 -20.042 177 HA SER 23 HA SER 23 -8.040 33.484 -21.011 178 HB2 SER 23 2HB SER 23 -7.136 34.154 -18.494 179 HB3 SER 23 3HB SER 23 -6.827 32.419 -18.565 180 HG SER 23 HG SER 23 -5.239 32.813 -19.869 181 H LEU 24 H LEU 24 -6.697 31.165 -20.440 182 HA LEU 24 HA LEU 24 -8.361 29.172 -21.333 183 HB2 LEU 24 2HB LEU 24 -5.693 29.356 -20.272 184 HB3 LEU 24 3HB LEU 24 -6.472 27.875 -19.720 185 HG LEU 24 HG LEU 24 -6.296 28.669 -22.621 186 HD11 LEU 24 1HD1 LEU 24 -4.123 28.098 -21.097 187 HD12 LEU 24 2HD1 LEU 24 -4.255 27.766 -22.823 188 HD13 LEU 24 3HD1 LEU 24 -4.591 26.491 -21.652 189 HD21 LEU 24 3HD2 LEU 24 -7.195 26.633 -23.110 190 HD22 LEU 24 1HD2 LEU 24 -7.983 26.924 -21.559 191 HD23 LEU 24 2HD2 LEU 24 -6.566 25.877 -21.646 192 H ASP 25 H ASP 25 -9.442 27.429 -20.378 193 HA ASP 25 HA ASP 25 -9.589 26.888 -17.640 194 HB2 ASP 25 2HB ASP 25 -10.847 29.259 -18.122 195 HB3 ASP 25 3HB ASP 25 -12.183 28.125 -18.296 196 H LEU 26 H LEU 26 -9.510 25.530 -20.161 197 HA LEU 26 HA LEU 26 -11.886 24.463 -21.067 198 HB2 LEU 26 2HB LEU 26 -9.914 23.960 -22.250 199 HB3 LEU 26 3HB LEU 26 -9.138 23.279 -20.823 200 HG LEU 26 HG LEU 26 -10.926 21.446 -20.958 201 HD11 LEU 26 1HD1 LEU 26 -11.623 21.093 -23.395 202 HD12 LEU 26 2HD1 LEU 26 -11.274 22.809 -23.606 203 HD13 LEU 26 3HD1 LEU 26 -12.505 22.295 -22.453 204 HD21 LEU 26 3HD2 LEU 26 -9.542 20.648 -23.192 205 HD22 LEU 26 1HD2 LEU 26 -9.006 20.455 -21.522 206 HD23 LEU 26 2HD2 LEU 26 -8.465 21.843 -22.467 207 H SER 27 H SER 27 -13.333 23.013 -20.348 208 HA SER 27 HA SER 27 -12.687 21.483 -17.920 209 HB2 SER 27 2HB SER 27 -14.554 23.612 -18.106 210 HB3 SER 27 3HB SER 27 -15.482 22.120 -17.952 211 HG SER 27 HG SER 27 -14.111 23.438 -16.072 212 H GLU 28 H GLU 28 -13.432 21.299 -21.067 213 HA GLU 28 HA GLU 28 -15.185 18.957 -20.788 214 HB2 GLU 28 2HB GLU 28 -14.504 20.584 -23.244 215 HB3 GLU 28 3HB GLU 28 -15.598 19.208 -23.207 216 HG2 GLU 28 2HG GLU 28 -15.966 21.878 -21.880 217 HG3 GLU 28 3HG GLU 28 -16.908 21.188 -23.200 218 H GLY 29 H GLY 29 -11.977 19.904 -21.466 219 HA2 GLY 29 2HA GLY 29 -11.346 17.450 -22.917 220 HA3 GLY 29 3HA GLY 29 -10.246 18.784 -22.602 221 H ARG 30 H ARG 30 -11.942 16.095 -21.033 222 HA ARG 30 HA ARG 30 -9.777 16.005 -19.037 223 HB2 ARG 30 2HB ARG 30 -11.286 15.074 -17.474 224 HB3 ARG 30 3HB ARG 30 -12.157 16.397 -18.236 225 HG2 ARG 30 2HG ARG 30 -12.737 14.159 -19.792 226 HG3 ARG 30 3HG ARG 30 -12.808 13.599 -18.120 227 HD2 ARG 30 2HD ARG 30 -14.310 15.491 -17.592 228 HD3 ARG 30 3HD ARG 30 -14.289 15.948 -19.295 229 HE ARG 30 HE ARG 30 -15.086 13.330 -19.277 230 HH11 ARG 30 1HH1 ARG 30 -16.216 16.282 -17.820 231 HH12 ARG 30 2HH1 ARG 30 -17.878 15.794 -17.810 232 HH21 ARG 30 1HH2 ARG 30 -17.271 12.676 -19.269 233 HH22 ARG 30 2HH2 ARG 30 -18.477 13.742 -18.633 234 H PHE 31 H PHE 31 -8.987 13.932 -18.392 235 HA PHE 31 HA PHE 31 -9.499 11.780 -20.334 236 HB2 PHE 31 2HB PHE 31 -7.157 11.241 -20.424 237 HB3 PHE 31 3HB PHE 31 -7.333 12.957 -20.778 238 HD1 PHE 31 HD2 PHE 31 -6.241 10.502 -18.275 239 HD2 PHE 31 HD1 PHE 31 -6.436 14.622 -19.324 240 HE1 PHE 31 HE2 PHE 31 -4.637 11.029 -16.486 241 HE2 PHE 31 HE1 PHE 31 -4.831 15.156 -17.537 242 HZ PHE 31 HZ PHE 31 -3.930 13.359 -16.115 243 H ALA 32 H ALA 32 -9.311 9.657 -19.557 244 HA ALA 32 HA ALA 32 -9.456 9.448 -16.625 245 HB1 ALA 32 1HB ALA 32 -11.488 8.771 -17.796 246 HB2 ALA 32 2HB ALA 32 -10.566 7.586 -18.722 247 HB3 ALA 32 3HB ALA 32 -10.738 7.400 -16.977 248 H VAL 33 H VAL 33 -7.773 8.569 -15.634 249 HA VAL 33 HA VAL 33 -5.998 6.789 -17.168 250 HB VAL 33 HB VAL 33 -5.019 8.906 -16.218 251 HG11 VAL 33 1HG1 VAL 33 -5.038 9.393 -14.024 252 HG12 VAL 33 2HG1 VAL 33 -6.406 8.279 -13.970 253 HG13 VAL 33 3HG1 VAL 33 -4.789 7.714 -13.546 254 HG21 VAL 33 3HG2 VAL 33 -2.983 7.911 -15.921 255 HG22 VAL 33 1HG2 VAL 33 -3.634 6.634 -14.893 256 HG23 VAL 33 2HG2 VAL 33 -3.865 6.563 -16.640 257 H ALA 34 H ALA 34 -5.486 4.784 -16.417 258 HA ALA 34 HA ALA 34 -7.042 3.830 -14.115 259 HB1 ALA 34 1HB ALA 34 -6.315 1.544 -15.163 260 HB2 ALA 34 2HB ALA 34 -7.640 2.472 -15.868 261 HB3 ALA 34 3HB ALA 34 -6.038 2.527 -16.601 262 H TYR 35 H TYR 35 -6.087 2.977 -12.349 263 HA TYR 35 HA TYR 35 -3.165 3.123 -12.223 264 HB2 TYR 35 2HB TYR 35 -5.288 3.015 -10.078 265 HB3 TYR 35 3HB TYR 35 -3.566 2.913 -9.732 266 HD1 TYR 35 HD1 TYR 35 -2.102 4.860 -10.150 267 HD2 TYR 35 HD2 TYR 35 -6.321 5.100 -10.638 268 HE1 TYR 35 HE1 TYR 35 -1.960 7.315 -10.112 269 HE2 TYR 35 HE2 TYR 35 -6.191 7.556 -10.603 270 HH TYR 35 HH TYR 35 -3.433 9.236 -9.605 271 H SER 36 H SER 36 -1.919 1.427 -11.337 272 HA SER 36 HA SER 36 -2.676 -1.157 -12.182 273 HB2 SER 36 2HB SER 36 -0.328 -0.449 -12.067 274 HB3 SER 36 3HB SER 36 -0.442 -0.331 -10.311 275 HG SER 36 HG SER 36 0.048 -2.363 -10.282 276 H ASN 37 H ASN 37 -3.387 0.579 -9.358 277 HA ASN 37 HA ASN 37 -3.841 -1.823 -7.757 278 HB2 ASN 37 2HB ASN 37 -2.793 0.392 -6.889 279 HB3 ASN 37 3HB ASN 37 -4.454 0.977 -6.852 280 HD21 ASN 37 1HD2 ASN 37 -4.642 1.143 -4.672 281 HD22 ASN 37 2HD2 ASN 37 -4.617 -0.213 -3.601 282 H ASP 38 H ASP 38 -5.444 -1.031 -10.166 283 HA ASP 38 HA ASP 38 -7.611 -1.112 -10.852 284 HB2 ASP 38 2HB ASP 38 -7.546 -3.062 -9.182 285 HB3 ASP 38 3HB ASP 38 -8.367 -1.974 -8.066 286 H THR 39 H THR 39 -7.224 1.311 -10.757 287 HA THR 39 HA THR 39 -9.472 2.512 -9.358 288 HB THR 39 HB THR 39 -7.285 4.336 -9.061 289 HG1 THR 39 HG1 THR 39 -6.291 2.885 -7.334 290 HG21 THR 39 3HG2 THR 39 -8.880 2.844 -6.976 291 HG22 THR 39 1HG2 THR 39 -9.414 4.313 -7.791 292 HG23 THR 39 2HG2 THR 39 -7.993 4.351 -6.746 293 H MET 40 H MET 40 -10.024 4.632 -10.166 294 HA MET 40 HA MET 40 -8.742 5.364 -12.701 295 HB2 MET 40 2HB MET 40 -11.482 4.398 -12.311 296 HB3 MET 40 3HB MET 40 -11.389 5.918 -13.191 297 HG2 MET 40 2HG MET 40 -9.880 4.908 -14.808 298 HG3 MET 40 3HG MET 40 -9.931 3.389 -13.916 299 HE1 MET 40 3HE MET 40 -12.751 1.756 -14.146 300 HE2 MET 40 1HE MET 40 -12.097 1.484 -15.761 301 HE3 MET 40 2HE MET 40 -11.005 1.711 -14.395 302 H GLU 41 H GLU 41 -8.618 7.528 -13.095 303 HA GLU 41 HA GLU 41 -10.008 9.337 -11.242 304 HB2 GLU 41 2HB GLU 41 -7.094 9.043 -11.696 305 HB3 GLU 41 3HB GLU 41 -7.705 10.688 -11.597 306 HG2 GLU 41 2HG GLU 41 -8.426 8.681 -9.506 307 HG3 GLU 41 3HG GLU 41 -6.871 9.510 -9.458 308 H GLU 42 H GLU 42 -10.886 11.101 -12.163 309 HA GLU 42 HA GLU 42 -10.237 11.617 -14.992 310 HB2 GLU 42 2HB GLU 42 -12.542 12.312 -15.328 311 HB3 GLU 42 3HB GLU 42 -12.493 10.675 -14.689 312 HG2 GLU 42 2HG GLU 42 -14.036 11.404 -13.257 313 HG3 GLU 42 3HG GLU 42 -12.677 12.138 -12.407 314 H HIS 43 H HIS 43 -9.777 13.665 -15.596 315 HA HIS 43 HA HIS 43 -10.415 15.912 -13.890 316 HB2 HIS 43 2HB HIS 43 -7.777 14.676 -13.881 317 HB3 HIS 43 3HB HIS 43 -7.713 16.377 -14.334 318 HD1 HIS 43 HD1 HIS 43 -9.928 17.456 -12.468 319 HD2 HIS 43 HD2 HIS 43 -6.938 14.823 -11.291 320 HE1 HIS 43 HE1 HIS 43 -9.716 17.748 -9.980 321 H SER 44 H SER 44 -10.492 17.830 -14.989 322 HA SER 44 HA SER 44 -9.821 17.702 -17.856 323 HB2 SER 44 2HB SER 44 -11.713 19.792 -17.196 324 HB3 SER 44 3HB SER 44 -11.874 18.464 -18.345 325 HG SER 44 HG SER 44 -12.587 18.566 -15.627 326 H PHE 45 H PHE 45 -8.273 19.023 -18.521 327 HA PHE 45 HA PHE 45 -6.583 20.569 -18.382 328 HB2 PHE 45 2HB PHE 45 -8.673 21.786 -19.231 329 HB3 PHE 45 3HB PHE 45 -8.792 22.470 -17.613 330 HD1 PHE 45 HD1 PHE 45 -6.309 22.043 -20.362 331 HD2 PHE 45 HD2 PHE 45 -7.773 24.487 -17.200 332 HE1 PHE 45 HE1 PHE 45 -4.724 23.813 -21.001 333 HE2 PHE 45 HE2 PHE 45 -6.191 26.262 -17.834 334 HZ PHE 45 HZ PHE 45 -4.664 25.926 -19.737 335 H THR 46 H THR 46 -5.905 19.402 -16.342 336 HA THR 46 HA THR 46 -5.218 21.327 -14.368 337 HB THR 46 HB THR 46 -7.481 20.948 -13.564 338 HG1 THR 46 HG1 THR 46 -6.806 19.928 -11.452 339 HG21 THR 46 3HG2 THR 46 -8.460 18.906 -13.243 340 HG22 THR 46 1HG2 THR 46 -6.927 18.099 -12.915 341 HG23 THR 46 2HG2 THR 46 -7.378 18.494 -14.573 342 H ASP 47 H ASP 47 -5.522 17.922 -15.225 343 HA ASP 47 HA ASP 47 -3.566 16.929 -13.450 344 HB2 ASP 47 2HB ASP 47 -5.243 15.890 -15.510 345 HB3 ASP 47 3HB ASP 47 -3.596 15.347 -15.818 346 H GLU 48 H GLU 48 -1.401 16.348 -13.809 347 HA GLU 48 HA GLU 48 -0.046 18.064 -15.748 348 HB2 GLU 48 2HB GLU 48 0.766 16.696 -13.218 349 HB3 GLU 48 3HB GLU 48 2.005 17.096 -14.400 350 HG2 GLU 48 2HG GLU 48 1.768 18.817 -12.678 351 HG3 GLU 48 3HG GLU 48 1.412 19.432 -14.292 352 H GLY 49 H GLY 49 -1.445 15.553 -16.484 353 HA2 GLY 49 2HA GLY 49 0.782 13.823 -17.280 354 HA3 GLY 49 3HA GLY 49 -0.927 13.426 -17.389 355 H VAL 50 H VAL 50 -1.933 15.571 -18.768 356 HA VAL 50 HA VAL 50 -0.784 15.102 -21.413 357 HB VAL 50 HB VAL 50 -2.838 16.034 -22.310 358 HG11 VAL 50 1HG1 VAL 50 -3.515 13.923 -22.097 359 HG12 VAL 50 2HG1 VAL 50 -2.750 13.762 -20.515 360 HG13 VAL 50 3HG1 VAL 50 -4.374 14.438 -20.646 361 HG21 VAL 50 3HG2 VAL 50 -3.672 17.712 -21.041 362 HG22 VAL 50 1HG2 VAL 50 -4.639 16.408 -20.353 363 HG23 VAL 50 2HG2 VAL 50 -3.182 16.955 -19.525 364 H GLU 51 H GLU 51 -0.065 16.715 -22.765 365 HA GLU 51 HA GLU 51 0.213 19.388 -21.554 366 HB2 GLU 51 2HB GLU 51 2.175 17.842 -23.250 367 HB3 GLU 51 3HB GLU 51 2.339 19.559 -22.908 368 HG2 GLU 51 2HG GLU 51 2.178 18.817 -20.427 369 HG3 GLU 51 3HG GLU 51 2.609 17.230 -21.063 370 H ILE 52 H ILE 52 -0.439 21.089 -22.730 371 HA ILE 52 HA ILE 52 -1.363 20.559 -25.474 372 HB ILE 52 HB ILE 52 -2.213 22.949 -23.877 373 HG12 ILE 52 2HG1 ILE 52 -2.659 21.056 -22.416 374 HG13 ILE 52 3HG1 ILE 52 -4.172 21.646 -23.094 375 HG21 ILE 52 1HG2 ILE 52 -2.916 21.689 -26.395 376 HG22 ILE 52 2HG2 ILE 52 -4.324 21.983 -25.375 377 HG23 ILE 52 3HG2 ILE 52 -3.257 23.318 -25.812 378 HD11 ILE 52 3HD1 ILE 52 -4.281 19.300 -23.163 379 HD12 ILE 52 1HD1 ILE 52 -3.964 19.819 -24.818 380 HD13 ILE 52 2HD1 ILE 52 -2.655 19.167 -23.832 381 H SER 53 H SER 53 -0.576 21.699 -27.149 382 HA SER 53 HA SER 53 0.993 24.114 -26.637 383 HB2 SER 53 2HB SER 53 2.115 21.553 -27.357 384 HB3 SER 53 3HB SER 53 2.423 22.734 -28.630 385 HG SER 53 HG SER 53 3.713 23.801 -27.338 386 H GLY 54 H GLY 54 0.786 25.646 -28.184 387 HA2 GLY 54 2HA GLY 54 0.568 25.879 -30.724 388 HA3 GLY 54 3HA GLY 54 -0.901 24.942 -30.497 389 H TYR 55 H TYR 55 -1.895 26.097 -28.177 390 HA TYR 55 HA TYR 55 -2.943 28.562 -29.259 391 HB2 TYR 55 2HB TYR 55 -4.635 27.336 -28.257 392 HB3 TYR 55 3HB TYR 55 -3.608 26.803 -26.931 393 HD1 TYR 55 HD1 TYR 55 -5.255 29.851 -28.305 394 HD2 TYR 55 HD2 TYR 55 -3.755 27.855 -24.860 395 HE1 TYR 55 HE1 TYR 55 -6.189 31.623 -26.879 396 HE2 TYR 55 HE2 TYR 55 -4.686 29.621 -23.424 397 HH TYR 55 HH TYR 55 -6.748 32.144 -24.717 398 H ASP 56 H ASP 56 -2.585 30.598 -28.535 399 HA ASP 56 HA ASP 56 -0.284 30.993 -26.813 400 HB2 ASP 56 2HB ASP 56 -1.978 32.907 -28.426 401 HB3 ASP 56 3HB ASP 56 -0.623 33.416 -27.421 402 H ALA 57 H ALA 57 -0.402 31.402 -24.713 403 HA ALA 57 HA ALA 57 -2.922 31.653 -23.388 404 HB1 ALA 57 1HB ALA 57 -1.372 30.484 -22.132 405 HB2 ALA 57 2HB ALA 57 -0.070 31.618 -22.493 406 HB3 ALA 57 3HB ALA 57 -1.350 32.075 -21.369 407 H GLN 58 H GLN 58 -3.540 33.629 -24.641 408 HA GLN 58 HA GLN 58 -3.500 35.895 -23.017 409 HB2 GLN 58 2HB GLN 58 -1.102 35.660 -24.385 410 HB3 GLN 58 3HB GLN 58 -2.025 36.791 -25.367 411 HG2 GLN 58 2HG GLN 58 -2.384 37.602 -22.709 412 HG3 GLN 58 3HG GLN 58 -0.671 37.221 -22.881 413 HE21 GLN 58 1HE2 GLN 58 0.472 38.241 -24.669 414 HE22 GLN 58 2HE2 GLN 58 -0.005 39.823 -25.173 415 H LYS 59 H LYS 59 -3.782 34.587 -26.258 416 HA LYS 59 HA LYS 59 -6.291 36.026 -26.595 417 HB2 LYS 59 2HB LYS 59 -3.835 36.614 -28.087 418 HB3 LYS 59 3HB LYS 59 -5.226 36.292 -29.114 419 HG2 LYS 59 2HG LYS 59 -6.428 38.099 -28.256 420 HG3 LYS 59 3HG LYS 59 -5.381 38.239 -26.841 421 HD2 LYS 59 2HD LYS 59 -4.917 40.032 -28.412 422 HD3 LYS 59 3HD LYS 59 -3.531 38.943 -28.303 423 HE2 LYS 59 2HE LYS 59 -4.150 37.877 -30.374 424 HE3 LYS 59 3HE LYS 59 -5.641 38.814 -30.454 425 HZ1 LYS 59 3HZ LYS 59 -2.938 39.582 -31.144 426 HZ2 LYS 59 1HZ LYS 59 -3.806 40.750 -30.281 427 HZ3 LYS 59 2HZ LYS 59 -4.413 40.154 -31.742 428 H THR 60 H THR 60 -7.789 34.896 -27.733 429 HA THR 60 HA THR 60 -7.005 32.212 -28.605 430 HB THR 60 HB THR 60 -9.514 31.822 -28.672 431 HG1 THR 60 HG1 THR 60 -9.684 34.139 -27.055 432 HG21 THR 60 3HG2 THR 60 -9.699 31.736 -26.164 433 HG22 THR 60 1HG2 THR 60 -8.137 32.549 -26.089 434 HG23 THR 60 2HG2 THR 60 -8.266 30.954 -26.831 435 H GLY 61 H GLY 61 -9.678 34.261 -29.725 436 HA2 GLY 61 2HA GLY 61 -10.445 34.660 -31.858 437 HA3 GLY 61 3HA GLY 61 -8.764 35.054 -32.186 438 H ARG 62 H ARG 62 -10.402 31.974 -31.471 439 HA ARG 62 HA ARG 62 -10.509 30.011 -32.616 440 HB2 ARG 62 2HB ARG 62 -11.295 31.686 -34.434 441 HB3 ARG 62 3HB ARG 62 -9.698 31.443 -35.128 442 HG2 ARG 62 2HG ARG 62 -10.193 29.384 -35.880 443 HG3 ARG 62 3HG ARG 62 -11.164 28.985 -34.462 444 HD2 ARG 62 2HD ARG 62 -12.570 29.071 -36.431 445 HD3 ARG 62 3HD ARG 62 -12.982 30.392 -35.338 446 HE ARG 62 HE ARG 62 -11.083 31.227 -37.273 447 HH11 ARG 62 1HH1 ARG 62 -14.460 30.497 -36.852 448 HH12 ARG 62 2HH1 ARG 62 -14.981 31.548 -38.127 449 HH21 ARG 62 1HH2 ARG 62 -11.755 32.615 -38.954 450 HH22 ARG 62 2HH2 ARG 62 -13.441 32.751 -39.323 451 H GLN 63 H GLN 63 -8.478 29.713 -31.290 452 HA GLN 63 HA GLN 63 -6.092 29.476 -32.987 453 HB2 GLN 63 2HB GLN 63 -6.529 29.920 -30.084 454 HB3 GLN 63 3HB GLN 63 -5.129 28.958 -30.540 455 HG2 GLN 63 2HG GLN 63 -5.500 31.475 -32.023 456 HG3 GLN 63 3HG GLN 63 -5.101 31.631 -30.313 457 HE21 GLN 63 1HE2 GLN 63 -3.952 30.912 -33.437 458 HE22 GLN 63 2HE2 GLN 63 -2.316 30.559 -33.009 459 H THR 64 H THR 64 -4.964 27.547 -33.149 460 HA THR 64 HA THR 64 -6.562 25.167 -32.691 461 HB THR 64 HB THR 64 -3.890 25.508 -34.067 462 HG1 THR 64 HG1 THR 64 -6.421 24.926 -35.225 463 HG21 THR 64 3HG2 THR 64 -3.868 23.277 -33.419 464 HG22 THR 64 1HG2 THR 64 -4.615 23.199 -35.014 465 HG23 THR 64 2HG2 THR 64 -5.618 23.112 -33.565 466 H LEU 65 H LEU 65 -5.962 23.415 -31.435 467 HA LEU 65 HA LEU 65 -3.630 23.788 -29.681 468 HB2 LEU 65 2HB LEU 65 -6.388 22.876 -28.878 469 HB3 LEU 65 3HB LEU 65 -4.968 22.794 -27.838 470 HG LEU 65 HG LEU 65 -4.899 25.395 -28.355 471 HD11 LEU 65 1HD1 LEU 65 -7.850 25.073 -28.249 472 HD12 LEU 65 2HD1 LEU 65 -7.047 24.912 -29.811 473 HD13 LEU 65 3HD1 LEU 65 -6.876 26.401 -28.881 474 HD21 LEU 65 3HD2 LEU 65 -5.755 23.750 -26.237 475 HD22 LEU 65 1HD2 LEU 65 -6.938 25.051 -26.379 476 HD23 LEU 65 2HD2 LEU 65 -5.229 25.433 -26.162 477 H THR 66 H THR 66 -2.404 22.014 -29.326 478 HA THR 66 HA THR 66 -3.401 19.436 -30.345 479 HB THR 66 HB THR 66 -0.654 19.296 -30.662 480 HG1 THR 66 HG1 THR 66 -1.519 21.760 -31.788 481 HG21 THR 66 3HG2 THR 66 -2.972 19.699 -32.505 482 HG22 THR 66 1HG2 THR 66 -1.939 18.286 -32.296 483 HG23 THR 66 2HG2 THR 66 -1.334 19.700 -33.158 484 H LEU 67 H LEU 67 -3.656 18.181 -28.612 485 HA LEU 67 HA LEU 67 -1.786 18.399 -26.375 486 HB2 LEU 67 2HB LEU 67 -3.396 17.468 -25.032 487 HB3 LEU 67 3HB LEU 67 -4.377 18.340 -26.208 488 HG LEU 67 HG LEU 67 -4.365 15.978 -27.415 489 HD11 LEU 67 1HD1 LEU 67 -3.146 15.418 -24.903 490 HD12 LEU 67 2HD1 LEU 67 -3.534 14.310 -26.218 491 HD13 LEU 67 3HD1 LEU 67 -4.725 14.633 -24.958 492 HD21 LEU 67 3HD2 LEU 67 -6.279 17.376 -26.472 493 HD22 LEU 67 1HD2 LEU 67 -6.138 16.378 -25.024 494 HD23 LEU 67 2HD2 LEU 67 -6.527 15.633 -26.575 495 H HIS 68 H HIS 68 -0.337 16.863 -25.865 496 HA HIS 68 HA HIS 68 -0.415 14.344 -27.392 497 HB2 HIS 68 2HB HIS 68 1.545 16.334 -27.527 498 HB3 HIS 68 3HB HIS 68 2.253 15.073 -26.522 499 HD1 HIS 68 HD1 HIS 68 2.730 15.981 -29.695 500 HD2 HIS 68 HD2 HIS 68 1.169 12.453 -28.152 501 HE1 HIS 68 HE1 HIS 68 3.072 14.253 -31.490 502 H TYR 69 H TYR 69 -0.930 12.761 -26.034 503 HA TYR 69 HA TYR 69 0.548 12.541 -23.516 504 HB2 TYR 69 2HB TYR 69 -1.676 13.597 -23.055 505 HB3 TYR 69 3HB TYR 69 -2.445 12.144 -23.684 506 HD1 TYR 69 HD2 TYR 69 0.566 12.400 -21.516 507 HD2 TYR 69 HD1 TYR 69 -3.520 11.249 -21.808 508 HE1 TYR 69 HE2 TYR 69 0.703 11.367 -19.288 509 HE2 TYR 69 HE1 TYR 69 -3.394 10.215 -19.581 510 HH TYR 69 HH TYR 69 -0.438 10.403 -17.632 511 H GLN 70 H GLN 70 1.333 10.559 -23.219 512 HA GLN 70 HA GLN 70 1.758 8.342 -23.492 513 HB2 GLN 70 2HB GLN 70 -1.173 8.183 -24.213 514 HB3 GLN 70 3HB GLN 70 -0.146 6.832 -23.750 515 HG2 GLN 70 2HG GLN 70 -0.323 9.088 -21.849 516 HG3 GLN 70 3HG GLN 70 -1.761 8.087 -22.045 517 HE21 GLN 70 1HE2 GLN 70 -0.871 5.614 -22.328 518 HE22 GLN 70 2HE2 GLN 70 0.054 5.106 -20.960 519 H GLY 71 H GLY 71 1.864 10.258 -25.793 520 HA2 GLY 71 2HA GLY 71 2.827 9.875 -27.902 521 HA3 GLY 71 3HA GLY 71 2.228 8.223 -27.851 522 H HIS 72 H HIS 72 -0.453 9.489 -26.992 523 HA HIS 72 HA HIS 72 -1.538 9.591 -29.653 524 HB2 HIS 72 2HB HIS 72 -2.545 8.810 -27.242 525 HB3 HIS 72 3HB HIS 72 -3.277 10.402 -27.415 526 HD1 HIS 72 HD1 HIS 72 -2.934 7.207 -29.453 527 HD2 HIS 72 HD2 HIS 72 -5.547 10.388 -28.889 528 HE1 HIS 72 HE1 HIS 72 -4.955 6.673 -30.850 529 H GLU 73 H GLU 73 -2.298 11.328 -30.765 530 HA GLU 73 HA GLU 73 -1.911 13.971 -29.519 531 HB2 GLU 73 2HB GLU 73 -0.322 13.203 -31.431 532 HB3 GLU 73 3HB GLU 73 -1.697 13.525 -32.478 533 HG2 GLU 73 2HG GLU 73 -1.745 15.836 -31.363 534 HG3 GLU 73 3HG GLU 73 -0.119 15.441 -30.809 535 H VAL 74 H VAL 74 -3.543 15.411 -29.650 536 HA VAL 74 HA VAL 74 -5.828 14.776 -31.388 537 HB VAL 74 HB VAL 74 -6.150 15.770 -28.559 538 HG11 VAL 74 1HG1 VAL 74 -8.130 14.639 -30.535 539 HG12 VAL 74 2HG1 VAL 74 -8.493 15.178 -28.894 540 HG13 VAL 74 3HG1 VAL 74 -7.956 16.341 -30.107 541 HG21 VAL 74 3HG2 VAL 74 -7.187 13.251 -28.560 542 HG22 VAL 74 1HG2 VAL 74 -5.765 13.052 -29.585 543 HG23 VAL 74 2HG2 VAL 74 -5.591 13.682 -27.947 544 H SER 75 H SER 75 -6.778 16.491 -32.367 545 HA SER 75 HA SER 75 -5.619 19.137 -31.797 546 HB2 SER 75 2HB SER 75 -5.497 19.541 -34.023 547 HB3 SER 75 3HB SER 75 -5.618 17.789 -34.174 548 HG SER 75 HG SER 75 -7.196 18.605 -35.463 549 H PHE 76 H PHE 76 -6.927 20.896 -31.497 550 HA PHE 76 HA PHE 76 -9.807 20.624 -31.798 551 HB2 PHE 76 2HB PHE 76 -8.413 20.934 -29.156 552 HB3 PHE 76 3HB PHE 76 -10.025 21.601 -29.395 553 HD1 PHE 76 HD1 PHE 76 -11.468 19.679 -30.892 554 HD2 PHE 76 HD2 PHE 76 -8.517 19.026 -27.895 555 HE1 PHE 76 HE1 PHE 76 -12.452 17.476 -30.408 556 HE2 PHE 76 HE2 PHE 76 -9.496 16.823 -27.406 557 HZ PHE 76 HZ PHE 76 -11.466 16.045 -28.663 558 H ASP 77 H ASP 77 -10.894 22.759 -31.105 559 HA ASP 77 HA ASP 77 -9.151 25.012 -31.861 560 HB2 ASP 77 2HB ASP 77 -10.874 24.191 -33.601 561 HB3 ASP 77 3HB ASP 77 -12.082 24.906 -32.537 562 H VAL 78 H VAL 78 -9.431 26.941 -30.788 563 HA VAL 78 HA VAL 78 -11.307 26.888 -28.512 564 HB VAL 78 HB VAL 78 -8.902 26.722 -27.853 565 HG11 VAL 78 1HG1 VAL 78 -8.356 28.440 -29.808 566 HG12 VAL 78 2HG1 VAL 78 -8.507 29.593 -28.480 567 HG13 VAL 78 3HG1 VAL 78 -7.333 28.280 -28.381 568 HG21 VAL 78 3HG2 VAL 78 -10.879 28.623 -26.912 569 HG22 VAL 78 1HG2 VAL 78 -9.821 27.548 -25.998 570 HG23 VAL 78 2HG2 VAL 78 -9.235 29.127 -26.519 571 H LEU 79 H LEU 79 -12.561 28.654 -28.156 572 HA LEU 79 HA LEU 79 -12.064 31.091 -29.689 573 HB2 LEU 79 2HB LEU 79 -13.744 29.336 -30.755 574 HB3 LEU 79 3HB LEU 79 -14.862 30.096 -29.623 575 HG LEU 79 HG LEU 79 -15.034 31.072 -31.854 576 HD11 LEU 79 1HD1 LEU 79 -15.229 33.239 -31.140 577 HD12 LEU 79 2HD1 LEU 79 -13.718 33.195 -30.233 578 HD13 LEU 79 3HD1 LEU 79 -15.155 32.397 -29.592 579 HD21 LEU 79 3HD2 LEU 79 -12.347 30.716 -32.030 580 HD22 LEU 79 1HD2 LEU 79 -12.448 32.450 -31.719 581 HD23 LEU 79 2HD2 LEU 79 -13.295 31.751 -33.100 582 H VAL 80 H VAL 80 -12.518 32.901 -28.577 583 HA VAL 80 HA VAL 80 -13.669 32.585 -25.903 584 HB VAL 80 HB VAL 80 -11.458 33.721 -26.174 585 HG11 VAL 80 1HG1 VAL 80 -12.018 34.875 -28.297 586 HG12 VAL 80 2HG1 VAL 80 -13.080 35.954 -27.390 587 HG13 VAL 80 3HG1 VAL 80 -11.345 35.950 -27.073 588 HG21 VAL 80 3HG2 VAL 80 -12.444 34.206 -24.145 589 HG22 VAL 80 1HG2 VAL 80 -12.232 35.818 -24.828 590 HG23 VAL 80 2HG2 VAL 80 -13.811 35.036 -24.887 591 H SER 81 H SER 81 -15.527 33.538 -25.267 592 HA SER 81 HA SER 81 -16.968 35.140 -27.279 593 HB2 SER 81 2HB SER 81 -17.813 32.878 -25.578 594 HB3 SER 81 3HB SER 81 -18.956 34.218 -25.669 595 HG SER 81 HG SER 81 -18.942 34.010 -27.921 596 HA PRO 82 HA PRO 82 -17.378 38.463 -24.445 597 HB2 PRO 82 2HB PRO 82 -19.910 39.324 -24.912 598 HB3 PRO 82 3HB PRO 82 -18.586 39.566 -26.058 599 HG2 PRO 82 2HG PRO 82 -20.735 37.482 -26.060 600 HG3 PRO 82 3HG PRO 82 -20.094 38.428 -27.415 601 HD2 PRO 82 2HD PRO 82 -19.342 35.871 -26.939 602 HD3 PRO 82 3HD PRO 82 -18.246 37.071 -27.652 603 H LYS 83 H LYS 83 -17.317 37.763 -22.360 604 HA LYS 83 HA LYS 83 -18.014 37.061 -20.307 605 HB2 LYS 83 2HB LYS 83 -20.678 38.210 -21.149 606 HB3 LYS 83 3HB LYS 83 -20.080 38.009 -19.507 607 HG2 LYS 83 2HG LYS 83 -18.214 39.582 -20.979 608 HG3 LYS 83 3HG LYS 83 -19.833 40.251 -21.195 609 HD2 LYS 83 2HD LYS 83 -19.997 39.919 -18.607 610 HD3 LYS 83 3HD LYS 83 -18.234 39.913 -18.694 611 HE2 LYS 83 2HE LYS 83 -19.137 42.068 -20.278 612 HE3 LYS 83 3HE LYS 83 -20.038 42.131 -18.764 613 HZ1 LYS 83 3HZ LYS 83 -17.812 41.892 -17.636 614 HZ2 LYS 83 1HZ LYS 83 -18.092 43.369 -18.413 615 HZ3 LYS 83 2HZ LYS 83 -17.103 42.206 -19.140 616 H ALA 84 H ALA 84 -20.322 36.072 -19.271 617 HA ALA 84 HA ALA 84 -21.695 34.191 -20.837 618 HB1 ALA 84 1HB ALA 84 -19.759 32.930 -21.155 619 HB2 ALA 84 2HB ALA 84 -19.201 33.196 -19.503 620 HB3 ALA 84 3HB ALA 84 -20.569 32.127 -19.810 621 H ALA 85 H ALA 85 -22.448 32.265 -19.222 622 HA ALA 85 HA ALA 85 -23.427 33.670 -16.830 623 HB1 ALA 85 1HB ALA 85 -25.049 32.804 -18.600 624 HB2 ALA 85 2HB ALA 85 -24.655 31.193 -17.999 625 HB3 ALA 85 3HB ALA 85 -25.383 32.383 -16.920 626 H LEU 86 H LEU 86 -24.123 31.937 -15.082 627 HA LEU 86 HA LEU 86 -21.673 30.505 -14.415 628 HB2 LEU 86 2HB LEU 86 -24.137 31.131 -12.798 629 HB3 LEU 86 3HB LEU 86 -22.741 30.247 -12.186 630 HG LEU 86 HG LEU 86 -21.569 32.533 -13.079 631 HD11 LEU 86 1HD1 LEU 86 -22.970 34.241 -13.239 632 HD12 LEU 86 2HD1 LEU 86 -23.618 33.909 -11.633 633 HD13 LEU 86 3HD1 LEU 86 -24.317 33.119 -13.046 634 HD21 LEU 86 3HD2 LEU 86 -22.642 31.689 -10.416 635 HD22 LEU 86 1HD2 LEU 86 -21.820 33.239 -10.602 636 HD23 LEU 86 2HD2 LEU 86 -20.973 31.740 -10.985 637 H ASN 87 H ASN 87 -21.751 28.326 -13.561 638 HA ASN 87 HA ASN 87 -24.096 26.747 -14.298 639 HB2 ASN 87 2HB ASN 87 -22.488 26.778 -16.242 640 HB3 ASN 87 3HB ASN 87 -21.322 25.961 -15.205 641 HD21 ASN 87 1HD2 ASN 87 -21.619 23.823 -14.682 642 HD22 ASN 87 2HD2 ASN 87 -22.789 22.821 -15.466 643 H ASP 88 H ASP 88 -24.322 24.826 -13.153 644 HA ASP 88 HA ASP 88 -22.412 24.461 -10.937 645 HB2 ASP 88 2HB ASP 88 -24.249 23.723 -9.543 646 HB3 ASP 88 3HB ASP 88 -24.642 25.299 -10.225 647 H GLU 89 H GLU 89 -22.713 22.155 -9.953 648 HA GLU 89 HA GLU 89 -22.428 20.280 -12.186 649 HB2 GLU 89 2HB GLU 89 -20.580 20.551 -10.497 650 HB3 GLU 89 3HB GLU 89 -21.660 19.857 -9.297 651 HG2 GLU 89 2HG GLU 89 -21.837 17.833 -10.759 652 HG3 GLU 89 3HG GLU 89 -20.562 18.528 -11.758 Start of MODEL 4 1 H SER 1 H SER 1 3.994 -1.456 -0.705 2 HA SER 1 HA SER 1 5.214 -1.128 -2.613 3 HB2 SER 1 2HB SER 1 3.666 -2.034 -4.673 4 HB3 SER 1 3HB SER 1 4.576 -3.075 -3.579 5 HG SER 1 HG SER 1 2.768 -3.764 -2.762 6 HA PRO 2 HA PRO 2 4.255 2.618 -4.683 7 HB2 PRO 2 2HB PRO 2 5.449 2.277 -7.097 8 HB3 PRO 2 3HB PRO 2 6.358 2.538 -5.603 9 HG2 PRO 2 2HG PRO 2 5.773 -0.021 -7.043 10 HG3 PRO 2 3HG PRO 2 7.288 0.522 -6.298 11 HD2 PRO 2 2HD PRO 2 5.613 -1.228 -5.087 12 HD3 PRO 2 3HD PRO 2 6.602 -0.067 -4.178 13 H LYS 3 H LYS 3 2.643 3.502 -5.866 14 HA LYS 3 HA LYS 3 1.030 1.674 -7.512 15 HB2 LYS 3 2HB LYS 3 -0.253 2.552 -5.696 16 HB3 LYS 3 3HB LYS 3 0.307 4.189 -6.010 17 HG2 LYS 3 2HG LYS 3 -1.082 4.461 -7.828 18 HG3 LYS 3 3HG LYS 3 -1.228 2.725 -8.109 19 HD2 LYS 3 2HD LYS 3 -3.144 2.749 -6.981 20 HD3 LYS 3 3HD LYS 3 -2.247 3.202 -5.530 21 HE2 LYS 3 2HE LYS 3 -2.500 5.555 -6.088 22 HE3 LYS 3 3HE LYS 3 -3.334 5.129 -7.581 23 HZ1 LYS 3 3HZ LYS 3 -4.720 3.830 -5.610 24 HZ2 LYS 3 1HZ LYS 3 -5.197 5.246 -6.405 25 HZ3 LYS 3 2HZ LYS 3 -4.368 5.340 -4.934 26 H THR 4 H THR 4 1.728 1.852 -9.563 27 HA THR 4 HA THR 4 1.865 4.563 -10.714 28 HB THR 4 HB THR 4 3.358 2.559 -12.213 29 HG1 THR 4 HG1 THR 4 4.378 1.710 -10.571 30 HG21 THR 4 3HG2 THR 4 5.127 4.490 -11.560 31 HG22 THR 4 1HG2 THR 4 3.613 5.360 -11.314 32 HG23 THR 4 2HG2 THR 4 3.969 4.635 -12.882 33 H ILE 5 H ILE 5 1.531 4.558 -13.126 34 HA ILE 5 HA ILE 5 -0.824 2.953 -13.721 35 HB ILE 5 HB ILE 5 -1.206 4.434 -15.577 36 HG12 ILE 5 2HG1 ILE 5 0.778 6.416 -15.339 37 HG13 ILE 5 3HG1 ILE 5 1.637 4.880 -15.347 38 HG21 ILE 5 1HG2 ILE 5 -1.994 5.297 -13.511 39 HG22 ILE 5 2HG2 ILE 5 -0.384 5.850 -13.053 40 HG23 ILE 5 3HG2 ILE 5 -1.246 6.641 -14.373 41 HD11 ILE 5 3HD1 ILE 5 0.605 6.308 -17.533 42 HD12 ILE 5 1HD1 ILE 5 1.394 4.730 -17.535 43 HD13 ILE 5 2HD1 ILE 5 -0.360 4.840 -17.379 44 H LEU 6 H LEU 6 -0.863 2.673 -16.373 45 HA LEU 6 HA LEU 6 1.619 1.539 -17.336 46 HB2 LEU 6 2HB LEU 6 0.660 -0.273 -15.986 47 HB3 LEU 6 3HB LEU 6 -0.819 -0.190 -16.940 48 HG LEU 6 HG LEU 6 0.828 -0.689 -18.932 49 HD11 LEU 6 1HD1 LEU 6 2.350 -1.494 -16.489 50 HD12 LEU 6 2HD1 LEU 6 2.922 -0.697 -17.954 51 HD13 LEU 6 3HD1 LEU 6 2.514 -2.412 -17.986 52 HD21 LEU 6 3HD2 LEU 6 -1.033 -2.102 -18.301 53 HD22 LEU 6 1HD2 LEU 6 -0.111 -2.756 -16.948 54 HD23 LEU 6 2HD2 LEU 6 0.396 -3.091 -18.603 55 H GLY 7 H GLY 7 -1.895 1.404 -17.974 56 HA2 GLY 7 2HA GLY 7 -1.294 2.139 -20.771 57 HA3 GLY 7 3HA GLY 7 -2.672 1.166 -20.279 58 H ILE 8 H ILE 8 -2.428 3.754 -21.779 59 HA ILE 8 HA ILE 8 -4.085 5.430 -20.011 60 HB ILE 8 HB ILE 8 -2.000 6.509 -20.768 61 HG12 ILE 8 2HG1 ILE 8 -4.302 7.840 -22.178 62 HG13 ILE 8 3HG1 ILE 8 -4.259 7.714 -20.423 63 HG21 ILE 8 1HG2 ILE 8 -1.976 5.253 -22.970 64 HG22 ILE 8 2HG2 ILE 8 -3.133 6.450 -23.550 65 HG23 ILE 8 3HG2 ILE 8 -1.526 6.957 -23.033 66 HD11 ILE 8 3HD1 ILE 8 -2.694 9.304 -20.223 67 HD12 ILE 8 1HD1 ILE 8 -1.820 8.777 -21.660 68 HD13 ILE 8 2HD1 ILE 8 -3.260 9.783 -21.823 69 H GLU 9 H GLU 9 -5.987 6.347 -20.813 70 HA GLU 9 HA GLU 9 -6.924 5.336 -23.410 71 HB2 GLU 9 2HB GLU 9 -7.838 4.410 -20.953 72 HB3 GLU 9 3HB GLU 9 -9.059 5.575 -21.447 73 HG2 GLU 9 2HG GLU 9 -8.862 4.274 -23.736 74 HG3 GLU 9 3HG GLU 9 -8.296 2.986 -22.674 75 H VAL 10 H VAL 10 -7.691 6.885 -24.683 76 HA VAL 10 HA VAL 10 -7.816 9.591 -23.819 77 HB VAL 10 HB VAL 10 -7.190 9.109 -26.098 78 HG11 VAL 10 1HG1 VAL 10 -9.642 8.425 -27.328 79 HG12 VAL 10 2HG1 VAL 10 -8.161 7.469 -27.234 80 HG13 VAL 10 3HG1 VAL 10 -9.396 7.309 -25.985 81 HG21 VAL 10 3HG2 VAL 10 -8.964 11.052 -25.340 82 HG22 VAL 10 1HG2 VAL 10 -8.137 10.974 -26.896 83 HG23 VAL 10 2HG2 VAL 10 -9.770 10.327 -26.731 84 H SER 11 H SER 11 -9.469 10.741 -23.048 85 HA SER 11 HA SER 11 -12.212 9.938 -23.575 86 HB2 SER 11 2HB SER 11 -11.419 8.720 -21.483 87 HB3 SER 11 3HB SER 11 -11.317 10.303 -20.714 88 HG SER 11 HG SER 11 -13.637 10.413 -21.639 89 H GLN 12 H GLN 12 -10.339 12.222 -24.083 90 HA GLN 12 HA GLN 12 -11.535 14.400 -22.574 91 HB2 GLN 12 2HB GLN 12 -9.974 15.817 -23.943 92 HB3 GLN 12 3HB GLN 12 -9.187 14.607 -22.939 93 HG2 GLN 12 2HG GLN 12 -9.811 13.698 -25.648 94 HG3 GLN 12 3HG GLN 12 -8.672 15.041 -25.572 95 HE21 GLN 12 1HE2 GLN 12 -7.276 13.333 -26.518 96 HE22 GLN 12 2HE2 GLN 12 -6.409 12.310 -25.429 97 H GLU 13 H GLU 13 -13.080 15.741 -23.299 98 HA GLU 13 HA GLU 13 -14.101 15.270 -26.015 99 HB2 GLU 13 2HB GLU 13 -15.413 16.194 -23.473 100 HB3 GLU 13 3HB GLU 13 -16.162 16.489 -25.036 101 HG2 GLU 13 2HG GLU 13 -15.411 13.768 -24.967 102 HG3 GLU 13 3HG GLU 13 -16.212 14.136 -23.441 103 HA PRO 14 HA PRO 14 -13.027 19.315 -27.338 104 HB2 PRO 14 2HB PRO 14 -15.055 19.853 -29.060 105 HB3 PRO 14 3HB PRO 14 -13.768 18.697 -29.422 106 HG2 PRO 14 2HG PRO 14 -16.546 18.189 -28.427 107 HG3 PRO 14 3HG PRO 14 -15.629 17.325 -29.675 108 HD2 PRO 14 2HD PRO 14 -15.890 16.388 -27.148 109 HD3 PRO 14 3HD PRO 14 -14.439 16.098 -28.129 110 H LYS 15 H LYS 15 -13.223 21.262 -26.431 111 HA LYS 15 HA LYS 15 -15.638 22.648 -26.068 112 HB2 LYS 15 2HB LYS 15 -16.129 21.098 -24.297 113 HB3 LYS 15 3HB LYS 15 -14.525 21.302 -23.604 114 HG2 LYS 15 2HG LYS 15 -15.279 22.937 -22.323 115 HG3 LYS 15 3HG LYS 15 -15.748 23.858 -23.753 116 HD2 LYS 15 2HD LYS 15 -17.578 21.672 -23.064 117 HD3 LYS 15 3HD LYS 15 -17.470 22.945 -21.845 118 HE2 LYS 15 2HE LYS 15 -17.660 24.446 -24.067 119 HE3 LYS 15 3HE LYS 15 -18.559 23.022 -24.591 120 HZ1 LYS 15 3HZ LYS 15 -19.805 23.278 -22.404 121 HZ2 LYS 15 1HZ LYS 15 -20.145 24.401 -23.623 122 HZ3 LYS 15 2HZ LYS 15 -19.143 24.834 -22.331 123 H LYS 16 H LYS 16 -13.062 22.540 -23.658 124 HA LYS 16 HA LYS 16 -11.716 24.235 -22.894 125 HB2 LYS 16 2HB LYS 16 -10.863 23.271 -25.351 126 HB3 LYS 16 3HB LYS 16 -10.791 25.018 -25.546 127 HG2 LYS 16 2HG LYS 16 -9.610 23.774 -23.109 128 HG3 LYS 16 3HG LYS 16 -8.734 23.697 -24.640 129 HD2 LYS 16 2HD LYS 16 -7.973 25.637 -23.488 130 HD3 LYS 16 3HD LYS 16 -9.008 26.188 -24.808 131 HE2 LYS 16 2HE LYS 16 -10.495 27.095 -23.403 132 HE3 LYS 16 3HE LYS 16 -10.464 25.697 -22.329 133 HZ1 LYS 16 3HZ LYS 16 -8.598 26.536 -21.201 134 HZ2 LYS 16 1HZ LYS 16 -9.644 27.855 -21.368 135 HZ3 LYS 16 2HZ LYS 16 -8.295 27.713 -22.378 136 H ASP 17 H ASP 17 -13.997 25.363 -22.695 137 HA ASP 17 HA ASP 17 -13.840 27.924 -24.146 138 HB2 ASP 17 2HB ASP 17 -16.189 28.112 -24.097 139 HB3 ASP 17 3HB ASP 17 -15.887 26.431 -24.526 140 H TYR 18 H TYR 18 -13.611 29.739 -22.990 141 HA TYR 18 HA TYR 18 -14.290 29.758 -20.153 142 HB2 TYR 18 2HB TYR 18 -12.121 30.577 -19.462 143 HB3 TYR 18 3HB TYR 18 -11.911 29.045 -20.301 144 HD1 TYR 18 HD2 TYR 18 -10.858 28.965 -22.501 145 HD2 TYR 18 HD1 TYR 18 -11.305 32.647 -20.416 146 HE1 TYR 18 HE2 TYR 18 -9.235 30.016 -24.022 147 HE2 TYR 18 HE1 TYR 18 -9.684 33.708 -21.932 148 HH TYR 18 HH TYR 18 -8.453 33.466 -23.774 149 H LEU 19 H LEU 19 -14.466 31.877 -19.255 150 HA LEU 19 HA LEU 19 -15.347 33.825 -21.191 151 HB2 LEU 19 2HB LEU 19 -16.484 33.307 -18.993 152 HB3 LEU 19 3HB LEU 19 -15.162 34.169 -18.208 153 HG LEU 19 HG LEU 19 -16.768 35.544 -20.319 154 HD11 LEU 19 1HD1 LEU 19 -17.714 34.699 -17.655 155 HD12 LEU 19 2HD1 LEU 19 -18.621 35.067 -19.121 156 HD13 LEU 19 3HD1 LEU 19 -18.023 36.377 -18.104 157 HD21 LEU 19 3HD2 LEU 19 -14.776 36.220 -18.330 158 HD22 LEU 19 1HD2 LEU 19 -16.215 37.230 -18.189 159 HD23 LEU 19 2HD2 LEU 19 -15.344 37.146 -19.720 160 H VAL 20 H VAL 20 -14.502 35.873 -21.530 161 HA VAL 20 HA VAL 20 -11.763 36.180 -21.617 162 HB VAL 20 HB VAL 20 -13.816 38.388 -21.417 163 HG11 VAL 20 1HG1 VAL 20 -11.831 39.507 -21.095 164 HG12 VAL 20 2HG1 VAL 20 -10.903 38.361 -22.065 165 HG13 VAL 20 3HG1 VAL 20 -11.958 39.534 -22.854 166 HG21 VAL 20 3HG2 VAL 20 -12.695 37.804 -24.036 167 HG22 VAL 20 1HG2 VAL 20 -13.584 36.441 -23.356 168 HG23 VAL 20 2HG2 VAL 20 -14.377 38.005 -23.545 169 H GLY 21 H GLY 21 -10.232 36.609 -20.165 170 HA2 GLY 21 2HA GLY 21 -9.251 37.672 -18.321 171 HA3 GLY 21 3HA GLY 21 -10.847 38.186 -17.797 172 H ASP 22 H ASP 22 -11.535 35.169 -18.351 173 HA ASP 22 HA ASP 22 -11.177 34.382 -15.594 174 HB2 ASP 22 2HB ASP 22 -13.290 33.979 -16.909 175 HB3 ASP 22 3HB ASP 22 -12.404 32.771 -17.836 176 H SER 23 H SER 23 -9.376 34.093 -18.399 177 HA SER 23 HA SER 23 -7.500 32.929 -18.945 178 HB2 SER 23 2HB SER 23 -6.044 32.431 -17.244 179 HB3 SER 23 3HB SER 23 -7.192 33.412 -16.333 180 HG SER 23 HG SER 23 -6.496 31.019 -15.741 181 H LEU 24 H LEU 24 -6.530 30.461 -18.309 182 HA LEU 24 HA LEU 24 -8.013 28.722 -19.837 183 HB2 LEU 24 2HB LEU 24 -5.952 28.300 -17.712 184 HB3 LEU 24 3HB LEU 24 -6.748 26.915 -18.458 185 HG LEU 24 HG LEU 24 -4.586 27.358 -19.489 186 HD11 LEU 24 1HD1 LEU 24 -6.696 26.594 -20.778 187 HD12 LEU 24 2HD1 LEU 24 -5.264 27.084 -21.683 188 HD13 LEU 24 3HD1 LEU 24 -6.622 28.196 -21.512 189 HD21 LEU 24 3HD2 LEU 24 -5.756 30.032 -20.252 190 HD22 LEU 24 1HD2 LEU 24 -4.190 29.395 -20.758 191 HD23 LEU 24 2HD2 LEU 24 -4.483 29.767 -19.059 192 H ASP 25 H ASP 25 -9.674 27.348 -19.523 193 HA ASP 25 HA ASP 25 -10.527 26.568 -16.883 194 HB2 ASP 25 2HB ASP 25 -11.516 28.899 -17.361 195 HB3 ASP 25 3HB ASP 25 -12.542 28.076 -18.534 196 H LEU 26 H LEU 26 -9.785 24.668 -18.269 197 HA LEU 26 HA LEU 26 -11.969 23.690 -19.976 198 HB2 LEU 26 2HB LEU 26 -9.885 23.694 -21.124 199 HB3 LEU 26 3HB LEU 26 -9.070 22.915 -19.770 200 HG LEU 26 HG LEU 26 -10.415 20.867 -20.223 201 HD11 LEU 26 1HD1 LEU 26 -11.065 21.782 -22.943 202 HD12 LEU 26 2HD1 LEU 26 -12.050 22.465 -21.651 203 HD13 LEU 26 3HD1 LEU 26 -11.956 20.716 -21.855 204 HD21 LEU 26 3HD2 LEU 26 -9.238 20.776 -22.712 205 HD22 LEU 26 1HD2 LEU 26 -8.458 20.384 -21.179 206 HD23 LEU 26 2HD2 LEU 26 -8.297 22.003 -21.862 207 H SER 27 H SER 27 -13.208 22.050 -19.327 208 HA SER 27 HA SER 27 -12.258 20.345 -17.127 209 HB2 SER 27 2HB SER 27 -15.159 20.935 -17.180 210 HB3 SER 27 3HB SER 27 -14.071 20.740 -15.806 211 HG SER 27 HG SER 27 -14.996 22.953 -16.461 212 H GLU 28 H GLU 28 -13.035 20.379 -20.231 213 HA GLU 28 HA GLU 28 -14.603 17.896 -20.186 214 HB2 GLU 28 2HB GLU 28 -13.998 19.724 -22.516 215 HB3 GLU 28 3HB GLU 28 -15.062 18.326 -22.546 216 HG2 GLU 28 2HG GLU 28 -15.476 20.975 -21.223 217 HG3 GLU 28 3HG GLU 28 -16.506 20.136 -22.382 218 H GLY 29 H GLY 29 -11.469 19.140 -20.751 219 HA2 GLY 29 2HA GLY 29 -10.632 16.912 -22.425 220 HA3 GLY 29 3HA GLY 29 -9.626 18.249 -21.887 221 H ARG 30 H ARG 30 -11.338 15.400 -20.609 222 HA ARG 30 HA ARG 30 -9.160 15.090 -18.651 223 HB2 ARG 30 2HB ARG 30 -10.670 14.036 -17.178 224 HB3 ARG 30 3HB ARG 30 -11.549 15.415 -17.825 225 HG2 ARG 30 2HG ARG 30 -12.176 13.397 -19.585 226 HG3 ARG 30 3HG ARG 30 -12.122 12.576 -18.024 227 HD2 ARG 30 2HD ARG 30 -13.640 14.300 -17.109 228 HD3 ARG 30 3HD ARG 30 -13.741 15.025 -18.713 229 HE ARG 30 HE ARG 30 -15.179 13.353 -19.345 230 HH11 ARG 30 1HH1 ARG 30 -13.629 12.475 -16.354 231 HH12 ARG 30 2HH1 ARG 30 -14.639 11.094 -16.084 232 HH21 ARG 30 1HH2 ARG 30 -16.516 11.537 -19.001 233 HH22 ARG 30 2HH2 ARG 30 -16.280 10.561 -17.591 234 H PHE 31 H PHE 31 -8.395 12.951 -18.205 235 HA PHE 31 HA PHE 31 -8.919 11.004 -20.349 236 HB2 PHE 31 2HB PHE 31 -6.656 10.589 -20.703 237 HB3 PHE 31 3HB PHE 31 -6.684 12.334 -20.468 238 HD1 PHE 31 HD1 PHE 31 -6.489 13.000 -17.856 239 HD2 PHE 31 HD2 PHE 31 -4.971 9.456 -19.659 240 HE1 PHE 31 HE1 PHE 31 -4.849 12.781 -16.035 241 HE2 PHE 31 HE2 PHE 31 -3.329 9.230 -17.841 242 HZ PHE 31 HZ PHE 31 -3.267 10.893 -16.025 243 H ALA 32 H ALA 32 -8.734 8.812 -19.782 244 HA ALA 32 HA ALA 32 -8.885 8.323 -16.884 245 HB1 ALA 32 1HB ALA 32 -10.552 6.858 -17.235 246 HB2 ALA 32 2HB ALA 32 -10.727 7.705 -18.773 247 HB3 ALA 32 3HB ALA 32 -9.808 6.202 -18.694 248 H VAL 33 H VAL 33 -7.183 7.378 -15.991 249 HA VAL 33 HA VAL 33 -5.408 5.754 -17.684 250 HB VAL 33 HB VAL 33 -4.422 7.739 -16.514 251 HG11 VAL 33 1HG1 VAL 33 -4.539 8.045 -14.297 252 HG12 VAL 33 2HG1 VAL 33 -5.871 6.888 -14.359 253 HG13 VAL 33 3HG1 VAL 33 -4.244 6.341 -13.951 254 HG21 VAL 33 3HG2 VAL 33 -3.179 5.225 -15.455 255 HG22 VAL 33 1HG2 VAL 33 -3.211 5.566 -17.185 256 HG23 VAL 33 2HG2 VAL 33 -2.395 6.675 -16.083 257 H ALA 34 H ALA 34 -4.906 3.677 -17.159 258 HA ALA 34 HA ALA 34 -6.451 2.488 -14.956 259 HB1 ALA 34 1HB ALA 34 -5.268 1.114 -17.366 260 HB2 ALA 34 2HB ALA 34 -6.326 0.392 -16.153 261 HB3 ALA 34 3HB ALA 34 -6.943 1.650 -17.224 262 H TYR 35 H TYR 35 -5.322 2.082 -13.180 263 HA TYR 35 HA TYR 35 -2.450 1.905 -13.221 264 HB2 TYR 35 2HB TYR 35 -4.556 1.895 -11.095 265 HB3 TYR 35 3HB TYR 35 -2.938 1.325 -10.699 266 HD1 TYR 35 HD2 TYR 35 -4.791 4.243 -12.066 267 HD2 TYR 35 HD1 TYR 35 -1.227 2.849 -10.206 268 HE1 TYR 35 HE2 TYR 35 -4.059 6.568 -11.737 269 HE2 TYR 35 HE1 TYR 35 -0.487 5.170 -9.870 270 HH TYR 35 HH TYR 35 -1.542 7.430 -9.685 271 H SER 36 H SER 36 -1.278 0.116 -12.186 272 HA SER 36 HA SER 36 -2.082 -2.390 -13.307 273 HB2 SER 36 2HB SER 36 0.335 -1.249 -12.534 274 HB3 SER 36 3HB SER 36 0.096 -2.561 -11.381 275 HG SER 36 HG SER 36 0.279 -3.994 -12.946 276 H ASN 37 H ASN 37 -2.833 -0.823 -10.447 277 HA ASN 37 HA ASN 37 -3.165 -3.281 -8.903 278 HB2 ASN 37 2HB ASN 37 -2.561 -0.621 -8.214 279 HB3 ASN 37 3HB ASN 37 -4.181 -0.919 -7.590 280 HD21 ASN 37 1HD2 ASN 37 -1.136 -0.880 -6.669 281 HD22 ASN 37 2HD2 ASN 37 -1.122 -2.147 -5.494 282 H ASP 38 H ASP 38 -4.794 -2.525 -11.304 283 HA ASP 38 HA ASP 38 -6.947 -2.749 -12.003 284 HB2 ASP 38 2HB ASP 38 -7.781 -3.561 -9.236 285 HB3 ASP 38 3HB ASP 38 -8.383 -4.135 -10.789 286 H THR 39 H THR 39 -5.956 -0.271 -10.707 287 HA THR 39 HA THR 39 -8.522 0.856 -9.799 288 HB THR 39 HB THR 39 -6.226 2.585 -9.370 289 HG1 THR 39 HG1 THR 39 -5.184 1.285 -7.851 290 HG21 THR 39 3HG2 THR 39 -7.129 2.445 -7.006 291 HG22 THR 39 1HG2 THR 39 -8.373 1.369 -7.641 292 HG23 THR 39 2HG2 THR 39 -8.258 3.027 -8.230 293 H MET 40 H MET 40 -8.805 3.211 -10.355 294 HA MET 40 HA MET 40 -7.574 3.955 -12.903 295 HB2 MET 40 2HB MET 40 -10.412 3.269 -12.462 296 HB3 MET 40 3HB MET 40 -10.127 4.748 -13.369 297 HG2 MET 40 2HG MET 40 -10.218 3.225 -15.062 298 HG3 MET 40 3HG MET 40 -8.487 3.242 -14.734 299 HE1 MET 40 3HE MET 40 -9.967 0.617 -16.287 300 HE2 MET 40 1HE MET 40 -10.930 -0.329 -15.152 301 HE3 MET 40 2HE MET 40 -11.367 1.344 -15.497 302 H GLU 41 H GLU 41 -7.550 6.178 -13.328 303 HA GLU 41 HA GLU 41 -8.550 7.920 -11.181 304 HB2 GLU 41 2HB GLU 41 -5.895 7.301 -11.450 305 HB3 GLU 41 3HB GLU 41 -6.016 8.780 -12.393 306 HG2 GLU 41 2HG GLU 41 -6.937 9.956 -10.490 307 HG3 GLU 41 3HG GLU 41 -6.922 8.472 -9.539 308 H GLU 42 H GLU 42 -9.521 9.744 -11.855 309 HA GLU 42 HA GLU 42 -9.339 10.397 -14.724 310 HB2 GLU 42 2HB GLU 42 -11.652 11.157 -14.628 311 HB3 GLU 42 3HB GLU 42 -11.537 9.481 -14.111 312 HG2 GLU 42 2HG GLU 42 -11.287 10.871 -11.755 313 HG3 GLU 42 3HG GLU 42 -12.459 11.825 -12.663 314 H HIS 43 H HIS 43 -8.961 12.474 -15.299 315 HA HIS 43 HA HIS 43 -9.234 14.630 -13.389 316 HB2 HIS 43 2HB HIS 43 -6.643 13.392 -13.994 317 HB3 HIS 43 3HB HIS 43 -6.666 15.138 -14.224 318 HD1 HIS 43 HD1 HIS 43 -8.497 15.914 -11.859 319 HD2 HIS 43 HD2 HIS 43 -5.343 13.222 -11.604 320 HE1 HIS 43 HE1 HIS 43 -7.830 15.887 -9.435 321 H SER 44 H SER 44 -9.472 16.603 -14.355 322 HA SER 44 HA SER 44 -9.230 16.661 -17.292 323 HB2 SER 44 2HB SER 44 -11.265 17.745 -17.506 324 HB3 SER 44 3HB SER 44 -11.595 16.699 -16.125 325 HG SER 44 HG SER 44 -11.098 18.489 -14.772 326 H PHE 45 H PHE 45 -7.881 18.135 -18.066 327 HA PHE 45 HA PHE 45 -6.319 19.806 -18.082 328 HB2 PHE 45 2HB PHE 45 -8.546 20.974 -18.418 329 HB3 PHE 45 3HB PHE 45 -8.478 21.410 -16.713 330 HD1 PHE 45 HD1 PHE 45 -6.429 21.616 -19.818 331 HD2 PHE 45 HD2 PHE 45 -7.518 23.414 -16.117 332 HE1 PHE 45 HE1 PHE 45 -5.078 23.593 -20.384 333 HE2 PHE 45 HE2 PHE 45 -6.170 25.394 -16.678 334 HZ PHE 45 HZ PHE 45 -4.948 25.486 -18.814 335 H THR 46 H THR 46 -5.237 18.446 -16.335 336 HA THR 46 HA THR 46 -4.256 20.198 -14.320 337 HB THR 46 HB THR 46 -6.202 19.681 -13.061 338 HG1 THR 46 HG1 THR 46 -5.266 18.668 -11.288 339 HG21 THR 46 3HG2 THR 46 -5.680 16.755 -13.590 340 HG22 THR 46 1HG2 THR 46 -6.907 17.722 -14.407 341 HG23 THR 46 2HG2 THR 46 -7.021 17.437 -12.671 342 H ASP 47 H ASP 47 -4.621 16.834 -15.359 343 HA ASP 47 HA ASP 47 -2.418 15.700 -14.138 344 HB2 ASP 47 2HB ASP 47 -2.638 13.925 -15.631 345 HB3 ASP 47 3HB ASP 47 -4.248 14.638 -15.649 346 H GLU 48 H GLU 48 -0.257 15.593 -14.542 347 HA GLU 48 HA GLU 48 0.801 17.586 -16.396 348 HB2 GLU 48 2HB GLU 48 1.930 16.106 -14.043 349 HB3 GLU 48 3HB GLU 48 3.005 16.874 -15.203 350 HG2 GLU 48 2HG GLU 48 0.803 18.531 -14.146 351 HG3 GLU 48 3HG GLU 48 2.086 18.098 -13.017 352 H GLY 49 H GLY 49 -0.283 14.856 -17.139 353 HA2 GLY 49 2HA GLY 49 2.131 13.619 -18.258 354 HA3 GLY 49 3HA GLY 49 0.541 12.877 -18.169 355 H VAL 50 H VAL 50 -0.595 15.515 -19.189 356 HA VAL 50 HA VAL 50 -0.014 15.000 -22.030 357 HB VAL 50 HB VAL 50 -2.487 16.321 -20.917 358 HG11 VAL 50 1HG1 VAL 50 -2.908 15.036 -23.401 359 HG12 VAL 50 2HG1 VAL 50 -2.942 16.764 -23.043 360 HG13 VAL 50 3HG1 VAL 50 -1.435 15.996 -23.544 361 HG21 VAL 50 3HG2 VAL 50 -2.949 14.266 -20.111 362 HG22 VAL 50 1HG2 VAL 50 -3.348 13.914 -21.793 363 HG23 VAL 50 2HG2 VAL 50 -1.764 13.477 -21.151 364 H GLU 51 H GLU 51 0.411 16.686 -23.418 365 HA GLU 51 HA GLU 51 0.674 19.357 -22.206 366 HB2 GLU 51 2HB GLU 51 2.628 17.949 -24.028 367 HB3 GLU 51 3HB GLU 51 2.707 19.665 -23.653 368 HG2 GLU 51 2HG GLU 51 3.291 19.287 -21.442 369 HG3 GLU 51 3HG GLU 51 2.692 17.630 -21.464 370 H ILE 52 H ILE 52 -0.360 20.905 -23.275 371 HA ILE 52 HA ILE 52 -1.203 20.362 -26.044 372 HB ILE 52 HB ILE 52 -2.500 21.879 -23.813 373 HG12 ILE 52 2HG1 ILE 52 -4.492 20.633 -24.652 374 HG13 ILE 52 3HG1 ILE 52 -3.465 19.873 -25.862 375 HG21 ILE 52 1HG2 ILE 52 -2.664 22.480 -26.723 376 HG22 ILE 52 2HG2 ILE 52 -4.129 22.599 -25.750 377 HG23 ILE 52 3HG2 ILE 52 -2.717 23.572 -25.340 378 HD11 ILE 52 3HD1 ILE 52 -4.036 18.714 -23.558 379 HD12 ILE 52 1HD1 ILE 52 -2.479 18.497 -24.356 380 HD13 ILE 52 2HD1 ILE 52 -2.637 19.649 -23.030 381 H SER 53 H SER 53 -0.621 21.709 -27.643 382 HA SER 53 HA SER 53 0.576 24.298 -26.937 383 HB2 SER 53 2HB SER 53 1.990 22.046 -27.938 384 HB3 SER 53 3HB SER 53 1.916 23.239 -29.234 385 HG SER 53 HG SER 53 2.614 24.024 -26.625 386 H GLY 54 H GLY 54 0.426 25.916 -28.538 387 HA2 GLY 54 2HA GLY 54 -0.186 26.555 -30.812 388 HA3 GLY 54 3HA GLY 54 -1.387 25.273 -30.778 389 H TYR 55 H TYR 55 -2.069 26.061 -27.946 390 HA TYR 55 HA TYR 55 -4.065 28.029 -28.679 391 HB2 TYR 55 2HB TYR 55 -5.118 26.518 -27.335 392 HB3 TYR 55 3HB TYR 55 -3.651 26.127 -26.444 393 HD1 TYR 55 HD2 TYR 55 -6.539 28.369 -26.649 394 HD2 TYR 55 HD1 TYR 55 -3.004 27.407 -24.485 395 HE1 TYR 55 HE2 TYR 55 -7.310 29.768 -24.779 396 HE2 TYR 55 HE1 TYR 55 -3.766 28.803 -22.608 397 HH TYR 55 HH TYR 55 -6.590 30.843 -22.865 398 H ASP 56 H ASP 56 -4.194 30.100 -27.967 399 HA ASP 56 HA ASP 56 -1.784 31.235 -26.813 400 HB2 ASP 56 2HB ASP 56 -3.948 32.178 -28.489 401 HB3 ASP 56 3HB ASP 56 -3.681 33.272 -27.135 402 H ALA 57 H ALA 57 -1.539 31.548 -24.710 403 HA ALA 57 HA ALA 57 -3.583 31.058 -22.822 404 HB1 ALA 57 1HB ALA 57 -1.395 30.636 -22.098 405 HB2 ALA 57 2HB ALA 57 -0.827 32.228 -22.602 406 HB3 ALA 57 3HB ALA 57 -1.892 32.073 -21.204 407 H GLN 58 H GLN 58 -2.873 33.789 -24.689 408 HA GLN 58 HA GLN 58 -4.128 35.631 -22.791 409 HB2 GLN 58 2HB GLN 58 -2.285 35.912 -25.071 410 HB3 GLN 58 3HB GLN 58 -3.524 37.156 -24.967 411 HG2 GLN 58 2HG GLN 58 -2.828 37.585 -22.629 412 HG3 GLN 58 3HG GLN 58 -1.515 36.429 -22.850 413 HE21 GLN 58 1HE2 GLN 58 -1.369 39.252 -22.219 414 HE22 GLN 58 2HE2 GLN 58 -0.447 39.989 -23.480 415 H LYS 59 H LYS 59 -4.345 35.028 -26.302 416 HA LYS 59 HA LYS 59 -7.233 35.581 -26.115 417 HB2 LYS 59 2HB LYS 59 -5.165 36.355 -28.078 418 HB3 LYS 59 3HB LYS 59 -6.703 35.845 -28.762 419 HG2 LYS 59 2HG LYS 59 -7.700 37.747 -28.188 420 HG3 LYS 59 3HG LYS 59 -7.041 37.693 -26.551 421 HD2 LYS 59 2HD LYS 59 -5.213 38.950 -27.099 422 HD3 LYS 59 3HD LYS 59 -5.188 38.380 -28.770 423 HE2 LYS 59 2HE LYS 59 -6.676 39.956 -29.473 424 HE3 LYS 59 3HE LYS 59 -7.506 40.023 -27.919 425 HZ1 LYS 59 3HZ LYS 59 -5.955 41.963 -28.746 426 HZ2 LYS 59 1HZ LYS 59 -4.756 41.007 -28.031 427 HZ3 LYS 59 2HZ LYS 59 -6.062 41.555 -27.108 428 H THR 60 H THR 60 -8.318 34.578 -28.244 429 HA THR 60 HA THR 60 -7.317 31.884 -28.745 430 HB THR 60 HB THR 60 -9.629 30.944 -28.317 431 HG1 THR 60 HG1 THR 60 -9.945 33.296 -26.744 432 HG21 THR 60 3HG2 THR 60 -7.954 30.356 -26.767 433 HG22 THR 60 1HG2 THR 60 -9.295 30.946 -25.786 434 HG23 THR 60 2HG2 THR 60 -7.899 31.981 -26.085 435 H GLY 61 H GLY 61 -10.514 33.365 -29.220 436 HA2 GLY 61 2HA GLY 61 -11.769 33.609 -31.133 437 HA3 GLY 61 3HA GLY 61 -10.287 34.278 -31.800 438 H ARG 62 H ARG 62 -11.598 31.061 -30.978 439 HA ARG 62 HA ARG 62 -11.663 29.111 -32.147 440 HB2 ARG 62 2HB ARG 62 -12.657 30.744 -33.875 441 HB3 ARG 62 3HB ARG 62 -11.085 30.661 -34.659 442 HG2 ARG 62 2HG ARG 62 -12.181 28.039 -34.036 443 HG3 ARG 62 3HG ARG 62 -13.208 28.986 -35.115 444 HD2 ARG 62 2HD ARG 62 -10.854 29.458 -36.272 445 HD3 ARG 62 3HD ARG 62 -10.484 27.896 -35.543 446 HE ARG 62 HE ARG 62 -12.911 27.607 -36.839 447 HH11 ARG 62 1HH1 ARG 62 -9.624 28.381 -37.686 448 HH12 ARG 62 2HH1 ARG 62 -9.737 27.705 -39.277 449 HH21 ARG 62 1HH2 ARG 62 -13.072 26.715 -38.932 450 HH22 ARG 62 2HH2 ARG 62 -11.699 26.759 -39.985 451 H GLN 63 H GLN 63 -9.442 29.180 -30.901 452 HA GLN 63 HA GLN 63 -7.201 28.968 -32.771 453 HB2 GLN 63 2HB GLN 63 -7.481 29.515 -29.885 454 HB3 GLN 63 3HB GLN 63 -6.104 28.515 -30.328 455 HG2 GLN 63 2HG GLN 63 -6.519 30.950 -31.937 456 HG3 GLN 63 3HG GLN 63 -6.036 31.189 -30.259 457 HE21 GLN 63 1HE2 GLN 63 -5.103 29.998 -33.371 458 HE22 GLN 63 2HE2 GLN 63 -3.430 29.762 -33.012 459 H THR 64 H THR 64 -5.952 27.113 -32.969 460 HA THR 64 HA THR 64 -7.359 24.644 -32.329 461 HB THR 64 HB THR 64 -5.235 23.743 -33.674 462 HG1 THR 64 HG1 THR 64 -5.586 26.249 -34.924 463 HG21 THR 64 3HG2 THR 64 -6.576 24.085 -35.774 464 HG22 THR 64 1HG2 THR 64 -7.685 25.075 -34.825 465 HG23 THR 64 2HG2 THR 64 -7.469 23.369 -34.433 466 H LEU 65 H LEU 65 -6.356 22.865 -31.291 467 HA LEU 65 HA LEU 65 -3.944 23.501 -29.737 468 HB2 LEU 65 2HB LEU 65 -6.424 22.161 -28.668 469 HB3 LEU 65 3HB LEU 65 -4.922 22.405 -27.780 470 HG LEU 65 HG LEU 65 -5.497 24.955 -28.436 471 HD11 LEU 65 1HD1 LEU 65 -8.137 24.673 -27.620 472 HD12 LEU 65 2HD1 LEU 65 -7.929 23.461 -28.883 473 HD13 LEU 65 3HD1 LEU 65 -7.567 25.154 -29.218 474 HD21 LEU 65 3HD2 LEU 65 -6.331 23.294 -26.078 475 HD22 LEU 65 1HD2 LEU 65 -6.611 25.035 -26.137 476 HD23 LEU 65 2HD2 LEU 65 -4.966 24.403 -26.223 477 H THR 66 H THR 66 -2.652 21.720 -29.154 478 HA THR 66 HA THR 66 -3.352 19.157 -30.414 479 HB THR 66 HB THR 66 -0.554 19.375 -30.585 480 HG1 THR 66 HG1 THR 66 -0.185 21.305 -31.546 481 HG21 THR 66 3HG2 THR 66 -1.882 18.111 -32.135 482 HG22 THR 66 1HG2 THR 66 -1.018 19.351 -33.041 483 HG23 THR 66 2HG2 THR 66 -2.729 19.562 -32.669 484 H LEU 67 H LEU 67 -3.590 17.833 -28.723 485 HA LEU 67 HA LEU 67 -1.753 18.047 -26.454 486 HB2 LEU 67 2HB LEU 67 -3.311 16.605 -25.278 487 HB3 LEU 67 3HB LEU 67 -4.135 18.007 -25.957 488 HG LEU 67 HG LEU 67 -4.324 15.885 -27.837 489 HD11 LEU 67 1HD1 LEU 67 -3.905 14.661 -25.518 490 HD12 LEU 67 2HD1 LEU 67 -5.049 14.051 -26.713 491 HD13 LEU 67 3HD1 LEU 67 -5.629 14.985 -25.334 492 HD21 LEU 67 3HD2 LEU 67 -5.975 17.527 -27.837 493 HD22 LEU 67 1HD2 LEU 67 -6.213 17.425 -26.092 494 HD23 LEU 67 2HD2 LEU 67 -6.789 16.127 -27.138 495 H HIS 68 H HIS 68 -0.070 16.732 -26.296 496 HA HIS 68 HA HIS 68 -0.188 14.123 -27.662 497 HB2 HIS 68 2HB HIS 68 1.512 16.193 -28.305 498 HB3 HIS 68 3HB HIS 68 2.501 15.205 -27.234 499 HD1 HIS 68 HD1 HIS 68 2.109 12.438 -27.995 500 HD2 HIS 68 HD2 HIS 68 1.960 15.452 -30.851 501 HE1 HIS 68 HE1 HIS 68 2.559 11.303 -30.194 502 H TYR 69 H TYR 69 0.150 12.395 -26.421 503 HA TYR 69 HA TYR 69 1.658 12.681 -23.928 504 HB2 TYR 69 2HB TYR 69 -0.089 11.311 -22.748 505 HB3 TYR 69 3HB TYR 69 -0.603 12.939 -23.180 506 HD1 TYR 69 HD2 TYR 69 -2.109 13.257 -25.162 507 HD2 TYR 69 HD1 TYR 69 -1.225 9.408 -23.580 508 HE1 TYR 69 HE2 TYR 69 -4.066 12.333 -26.331 509 HE2 TYR 69 HE1 TYR 69 -3.178 8.473 -24.746 510 HH TYR 69 HH TYR 69 -4.859 8.876 -26.138 511 H GLN 70 H GLN 70 3.201 11.200 -23.925 512 HA GLN 70 HA GLN 70 4.328 9.242 -24.192 513 HB2 GLN 70 2HB GLN 70 1.537 8.435 -23.912 514 HB3 GLN 70 3HB GLN 70 2.480 7.293 -24.859 515 HG2 GLN 70 2HG GLN 70 3.752 8.215 -22.377 516 HG3 GLN 70 3HG GLN 70 2.287 7.255 -22.170 517 HE21 GLN 70 1HE2 GLN 70 2.254 5.268 -23.670 518 HE22 GLN 70 2HE2 GLN 70 3.709 4.337 -23.697 519 H GLY 71 H GLY 71 1.688 8.423 -26.404 520 HA2 GLY 71 2HA GLY 71 3.396 9.017 -28.703 521 HA3 GLY 71 3HA GLY 71 2.901 7.346 -28.477 522 H HIS 72 H HIS 72 0.593 9.585 -27.402 523 HA HIS 72 HA HIS 72 -0.960 9.182 -29.873 524 HB2 HIS 72 2HB HIS 72 -1.649 8.972 -27.019 525 HB3 HIS 72 3HB HIS 72 -2.823 9.858 -27.989 526 HD1 HIS 72 HD1 HIS 72 -1.145 6.470 -27.830 527 HD2 HIS 72 HD2 HIS 72 -4.483 8.294 -29.501 528 HE1 HIS 72 HE1 HIS 72 -2.509 4.602 -28.816 529 H GLU 73 H GLU 73 -2.258 10.895 -30.646 530 HA GLU 73 HA GLU 73 -1.808 13.533 -29.461 531 HB2 GLU 73 2HB GLU 73 -0.129 13.004 -31.333 532 HB3 GLU 73 3HB GLU 73 -1.500 13.120 -32.427 533 HG2 GLU 73 2HG GLU 73 -1.907 15.419 -31.564 534 HG3 GLU 73 3HG GLU 73 -0.408 15.284 -30.647 535 H VAL 74 H VAL 74 -3.539 14.857 -29.570 536 HA VAL 74 HA VAL 74 -5.737 14.163 -31.386 537 HB VAL 74 HB VAL 74 -6.084 14.714 -28.436 538 HG11 VAL 74 1HG1 VAL 74 -8.498 13.906 -29.220 539 HG12 VAL 74 2HG1 VAL 74 -8.014 15.603 -29.242 540 HG13 VAL 74 3HG1 VAL 74 -7.963 14.650 -30.726 541 HG21 VAL 74 3HG2 VAL 74 -7.225 12.339 -28.765 542 HG22 VAL 74 1HG2 VAL 74 -6.040 12.235 -30.066 543 HG23 VAL 74 2HG2 VAL 74 -5.507 12.509 -28.408 544 H SER 75 H SER 75 -6.998 15.881 -32.062 545 HA SER 75 HA SER 75 -5.817 18.514 -31.608 546 HB2 SER 75 2HB SER 75 -6.206 17.723 -33.937 547 HB3 SER 75 3HB SER 75 -7.938 17.690 -33.607 548 HG SER 75 HG SER 75 -6.233 19.858 -33.981 549 H PHE 76 H PHE 76 -6.957 20.278 -30.856 550 HA PHE 76 HA PHE 76 -9.691 19.803 -29.896 551 HB2 PHE 76 2HB PHE 76 -7.314 20.257 -28.282 552 HB3 PHE 76 3HB PHE 76 -8.553 21.470 -27.978 553 HD1 PHE 76 HD1 PHE 76 -8.432 17.777 -28.531 554 HD2 PHE 76 HD2 PHE 76 -9.926 21.017 -26.209 555 HE1 PHE 76 HE1 PHE 76 -9.627 16.185 -27.084 556 HE2 PHE 76 HE2 PHE 76 -11.122 19.430 -24.758 557 HZ PHE 76 HZ PHE 76 -10.973 17.011 -25.194 558 H ASP 77 H ASP 77 -10.746 21.899 -29.203 559 HA ASP 77 HA ASP 77 -9.773 24.171 -30.796 560 HB2 ASP 77 2HB ASP 77 -12.207 22.644 -31.191 561 HB3 ASP 77 3HB ASP 77 -12.562 24.340 -30.872 562 H VAL 78 H VAL 78 -9.911 26.120 -29.828 563 HA VAL 78 HA VAL 78 -11.313 26.245 -27.237 564 HB VAL 78 HB VAL 78 -8.961 26.320 -26.798 565 HG11 VAL 78 1HG1 VAL 78 -8.006 28.645 -28.011 566 HG12 VAL 78 2HG1 VAL 78 -7.578 26.980 -28.409 567 HG13 VAL 78 3HG1 VAL 78 -8.884 27.788 -29.277 568 HG21 VAL 78 3HG2 VAL 78 -8.737 28.503 -25.737 569 HG22 VAL 78 1HG2 VAL 78 -10.071 29.124 -26.709 570 HG23 VAL 78 2HG2 VAL 78 -10.365 27.864 -25.511 571 H LEU 79 H LEU 79 -12.629 27.953 -26.850 572 HA LEU 79 HA LEU 79 -12.604 30.230 -28.678 573 HB2 LEU 79 2HB LEU 79 -14.521 28.120 -28.788 574 HB3 LEU 79 3HB LEU 79 -15.324 29.587 -28.233 575 HG LEU 79 HG LEU 79 -13.712 30.261 -30.475 576 HD11 LEU 79 1HD1 LEU 79 -15.235 28.772 -32.051 577 HD12 LEU 79 2HD1 LEU 79 -15.127 27.663 -30.685 578 HD13 LEU 79 3HD1 LEU 79 -13.658 28.224 -31.483 579 HD21 LEU 79 3HD2 LEU 79 -15.552 31.590 -30.129 580 HD22 LEU 79 1HD2 LEU 79 -16.604 30.226 -29.754 581 HD23 LEU 79 2HD2 LEU 79 -16.138 30.547 -31.425 582 H VAL 80 H VAL 80 -12.732 32.052 -27.555 583 HA VAL 80 HA VAL 80 -13.667 31.944 -24.783 584 HB VAL 80 HB VAL 80 -11.418 32.933 -25.342 585 HG11 VAL 80 1HG1 VAL 80 -13.029 35.259 -26.377 586 HG12 VAL 80 2HG1 VAL 80 -11.272 35.098 -26.332 587 HG13 VAL 80 3HG1 VAL 80 -12.224 34.083 -27.416 588 HG21 VAL 80 3HG2 VAL 80 -12.191 33.479 -23.223 589 HG22 VAL 80 1HG2 VAL 80 -11.897 35.060 -23.945 590 HG23 VAL 80 2HG2 VAL 80 -13.540 34.427 -23.848 591 H SER 81 H SER 81 -15.404 33.047 -24.050 592 HA SER 81 HA SER 81 -17.103 34.317 -26.063 593 HB2 SER 81 2HB SER 81 -17.650 32.563 -23.966 594 HB3 SER 81 3HB SER 81 -18.255 34.119 -23.399 595 HG SER 81 HG SER 81 -19.810 34.006 -24.807 596 HA PRO 82 HA PRO 82 -16.319 38.400 -24.639 597 HB2 PRO 82 2HB PRO 82 -18.662 39.588 -25.326 598 HB3 PRO 82 3HB PRO 82 -17.439 39.116 -26.513 599 HG2 PRO 82 2HG PRO 82 -19.951 37.696 -25.713 600 HG3 PRO 82 3HG PRO 82 -19.274 37.946 -27.333 601 HD2 PRO 82 2HD PRO 82 -19.005 35.613 -25.985 602 HD3 PRO 82 3HD PRO 82 -17.769 36.215 -27.108 603 H LYS 83 H LYS 83 -16.191 38.281 -22.412 604 HA LYS 83 HA LYS 83 -16.824 38.444 -20.227 605 HB2 LYS 83 2HB LYS 83 -19.108 40.102 -21.296 606 HB3 LYS 83 3HB LYS 83 -18.344 40.222 -19.717 607 HG2 LYS 83 2HG LYS 83 -16.971 41.760 -20.510 608 HG3 LYS 83 3HG LYS 83 -16.321 40.584 -21.656 609 HD2 LYS 83 2HD LYS 83 -17.572 41.374 -23.384 610 HD3 LYS 83 3HD LYS 83 -18.917 41.841 -22.340 611 HE2 LYS 83 2HE LYS 83 -18.113 43.902 -22.943 612 HE3 LYS 83 3HE LYS 83 -17.202 43.621 -21.460 613 HZ1 LYS 83 3HZ LYS 83 -16.223 43.165 -24.227 614 HZ2 LYS 83 1HZ LYS 83 -15.351 42.819 -22.819 615 HZ3 LYS 83 2HZ LYS 83 -15.752 44.419 -23.193 616 H ALA 84 H ALA 84 -19.220 38.641 -18.921 617 HA ALA 84 HA ALA 84 -20.362 35.999 -19.436 618 HB1 ALA 84 1HB ALA 84 -20.301 35.816 -17.228 619 HB2 ALA 84 2HB ALA 84 -19.741 37.482 -17.084 620 HB3 ALA 84 3HB ALA 84 -21.469 37.131 -17.095 621 H ALA 85 H ALA 85 -22.824 36.064 -18.463 622 HA ALA 85 HA ALA 85 -24.408 38.291 -19.198 623 HB1 ALA 85 1HB ALA 85 -23.797 37.667 -21.460 624 HB2 ALA 85 2HB ALA 85 -24.354 36.017 -21.178 625 HB3 ALA 85 3HB ALA 85 -25.510 37.349 -21.183 626 H LEU 86 H LEU 86 -26.353 38.130 -18.243 627 HA LEU 86 HA LEU 86 -27.824 35.741 -17.944 628 HB2 LEU 86 2HB LEU 86 -27.627 35.392 -15.556 629 HB3 LEU 86 3HB LEU 86 -26.061 35.205 -16.343 630 HG LEU 86 HG LEU 86 -26.393 37.905 -15.400 631 HD11 LEU 86 1HD1 LEU 86 -26.257 36.067 -13.090 632 HD12 LEU 86 2HD1 LEU 86 -27.847 36.334 -13.804 633 HD13 LEU 86 3HD1 LEU 86 -26.908 37.702 -13.207 634 HD21 LEU 86 3HD2 LEU 86 -24.496 35.690 -14.628 635 HD22 LEU 86 1HD2 LEU 86 -24.285 37.406 -14.281 636 HD23 LEU 86 2HD2 LEU 86 -24.265 36.836 -15.950 637 H ASN 87 H ASN 87 -29.392 36.189 -15.815 638 HA ASN 87 HA ASN 87 -30.255 38.988 -15.960 639 HB2 ASN 87 2HB ASN 87 -31.584 37.680 -17.596 640 HB3 ASN 87 3HB ASN 87 -32.116 36.625 -16.290 641 HD21 ASN 87 1HD2 ASN 87 -34.098 37.055 -15.685 642 HD22 ASN 87 2HD2 ASN 87 -34.824 38.620 -15.592 643 H ASP 88 H ASP 88 -31.137 39.796 -14.103 644 HA ASP 88 HA ASP 88 -30.475 38.689 -11.658 645 HB2 ASP 88 2HB ASP 88 -31.862 40.378 -10.645 646 HB3 ASP 88 3HB ASP 88 -31.095 41.077 -12.068 647 H GLU 89 H GLU 89 -31.376 37.259 -10.294 648 HA GLU 89 HA GLU 89 -34.087 36.286 -10.901 649 HB2 GLU 89 2HB GLU 89 -32.438 34.663 -11.719 650 HB3 GLU 89 3HB GLU 89 -31.703 34.598 -10.123 651 HG2 GLU 89 2HG GLU 89 -33.629 33.567 -9.188 652 HG3 GLU 89 3HG GLU 89 -34.562 33.843 -10.658 Start of MODEL 5 1 H SER 1 H SER 1 3.213 2.788 -0.126 2 HA SER 1 HA SER 1 4.910 3.057 -1.670 3 HB2 SER 1 2HB SER 1 4.399 1.160 -3.697 4 HB3 SER 1 3HB SER 1 5.673 1.113 -2.479 5 HG SER 1 HG SER 1 4.666 -0.576 -1.757 6 HA PRO 2 HA PRO 2 2.849 5.490 -4.682 7 HB2 PRO 2 2HB PRO 2 4.666 5.593 -6.697 8 HB3 PRO 2 3HB PRO 2 4.882 6.446 -5.164 9 HG2 PRO 2 2HG PRO 2 6.045 3.837 -6.060 10 HG3 PRO 2 3HG PRO 2 6.828 5.174 -5.198 11 HD2 PRO 2 2HD PRO 2 5.967 2.935 -3.941 12 HD3 PRO 2 3HD PRO 2 5.968 4.529 -3.159 13 H LYS 3 H LYS 3 1.628 5.414 -6.569 14 HA LYS 3 HA LYS 3 1.557 2.797 -7.923 15 HB2 LYS 3 2HB LYS 3 -0.799 2.986 -8.152 16 HB3 LYS 3 3HB LYS 3 -0.435 3.392 -6.481 17 HG2 LYS 3 2HG LYS 3 -0.498 5.814 -7.183 18 HG3 LYS 3 3HG LYS 3 -1.163 5.256 -8.720 19 HD2 LYS 3 2HD LYS 3 -2.358 4.748 -5.995 20 HD3 LYS 3 3HD LYS 3 -2.928 5.944 -7.162 21 HE2 LYS 3 2HE LYS 3 -4.211 4.388 -8.090 22 HE3 LYS 3 3HE LYS 3 -2.765 3.478 -8.523 23 HZ1 LYS 3 3HZ LYS 3 -4.645 2.469 -6.997 24 HZ2 LYS 3 1HZ LYS 3 -3.742 3.225 -5.782 25 HZ3 LYS 3 2HZ LYS 3 -3.016 2.070 -6.782 26 H THR 4 H THR 4 1.628 2.742 -10.105 27 HA THR 4 HA THR 4 1.646 5.328 -11.521 28 HB THR 4 HB THR 4 3.116 3.358 -12.989 29 HG1 THR 4 HG1 THR 4 4.249 2.422 -11.477 30 HG21 THR 4 3HG2 THR 4 3.822 5.959 -11.642 31 HG22 THR 4 1HG2 THR 4 3.470 5.683 -13.347 32 HG23 THR 4 2HG2 THR 4 4.957 5.051 -12.640 33 H ILE 5 H ILE 5 1.217 5.090 -13.901 34 HA ILE 5 HA ILE 5 -1.075 3.313 -14.259 35 HB ILE 5 HB ILE 5 -1.675 4.670 -16.156 36 HG12 ILE 5 2HG1 ILE 5 0.149 6.820 -16.083 37 HG13 ILE 5 3HG1 ILE 5 1.123 5.354 -16.106 38 HG21 ILE 5 1HG2 ILE 5 -1.854 6.914 -15.037 39 HG22 ILE 5 2HG2 ILE 5 -2.433 5.548 -14.085 40 HG23 ILE 5 3HG2 ILE 5 -0.859 6.261 -13.736 41 HD11 ILE 5 3HD1 ILE 5 -0.325 6.618 -18.231 42 HD12 ILE 5 1HD1 ILE 5 0.838 5.295 -18.296 43 HD13 ILE 5 2HD1 ILE 5 -0.870 4.955 -18.017 44 H LEU 6 H LEU 6 -1.235 2.925 -16.900 45 HA LEU 6 HA LEU 6 1.282 1.907 -17.923 46 HB2 LEU 6 2HB LEU 6 0.117 0.162 -16.407 47 HB3 LEU 6 3HB LEU 6 -1.012 -0.009 -17.749 48 HG LEU 6 HG LEU 6 1.178 -0.419 -19.135 49 HD11 LEU 6 1HD1 LEU 6 3.054 -0.485 -17.957 50 HD12 LEU 6 2HD1 LEU 6 2.429 -1.900 -17.110 51 HD13 LEU 6 3HD1 LEU 6 2.164 -0.288 -16.446 52 HD21 LEU 6 3HD2 LEU 6 0.880 -2.774 -18.848 53 HD22 LEU 6 1HD2 LEU 6 -0.701 -2.005 -18.708 54 HD23 LEU 6 2HD2 LEU 6 0.149 -2.542 -17.259 55 H GLY 7 H GLY 7 -2.251 1.756 -18.420 56 HA2 GLY 7 2HA GLY 7 -1.757 2.334 -21.275 57 HA3 GLY 7 3HA GLY 7 -3.125 1.404 -20.680 58 H ILE 8 H ILE 8 -2.956 3.887 -22.327 59 HA ILE 8 HA ILE 8 -4.527 5.663 -20.577 60 HB ILE 8 HB ILE 8 -2.435 6.678 -21.428 61 HG12 ILE 8 2HG1 ILE 8 -4.821 7.845 -21.152 62 HG13 ILE 8 3HG1 ILE 8 -3.404 8.734 -21.701 63 HG21 ILE 8 1HG2 ILE 8 -2.375 7.290 -23.860 64 HG22 ILE 8 2HG2 ILE 8 -2.154 5.575 -23.517 65 HG23 ILE 8 3HG2 ILE 8 -3.708 6.163 -24.107 66 HD11 ILE 8 3HD1 ILE 8 -5.214 7.425 -23.680 67 HD12 ILE 8 1HD1 ILE 8 -5.638 8.982 -22.969 68 HD13 ILE 8 2HD1 ILE 8 -4.141 8.809 -23.885 69 H GLU 9 H GLU 9 -6.474 6.474 -21.308 70 HA GLU 9 HA GLU 9 -7.445 5.484 -23.900 71 HB2 GLU 9 2HB GLU 9 -8.375 4.711 -21.283 72 HB3 GLU 9 3HB GLU 9 -9.661 5.522 -22.166 73 HG2 GLU 9 2HG GLU 9 -8.065 3.237 -23.288 74 HG3 GLU 9 3HG GLU 9 -9.584 3.035 -22.417 75 H VAL 10 H VAL 10 -8.303 7.034 -25.111 76 HA VAL 10 HA VAL 10 -8.522 9.709 -24.153 77 HB VAL 10 HB VAL 10 -7.915 9.095 -26.502 78 HG11 VAL 10 1HG1 VAL 10 -9.409 8.224 -28.010 79 HG12 VAL 10 2HG1 VAL 10 -9.929 7.409 -26.533 80 HG13 VAL 10 3HG1 VAL 10 -10.815 8.815 -27.125 81 HG21 VAL 10 3HG2 VAL 10 -10.095 11.044 -25.865 82 HG22 VAL 10 1HG2 VAL 10 -8.399 11.346 -26.242 83 HG23 VAL 10 2HG2 VAL 10 -9.515 10.866 -27.521 84 H SER 11 H SER 11 -10.269 10.869 -23.545 85 HA SER 11 HA SER 11 -12.956 9.974 -24.047 86 HB2 SER 11 2HB SER 11 -12.349 8.565 -22.113 87 HB3 SER 11 3HB SER 11 -11.942 10.014 -21.194 88 HG SER 11 HG SER 11 -13.969 10.137 -20.702 89 H GLN 12 H GLN 12 -11.461 12.308 -24.663 90 HA GLN 12 HA GLN 12 -12.662 14.347 -22.924 91 HB2 GLN 12 2HB GLN 12 -11.092 15.851 -24.395 92 HB3 GLN 12 3HB GLN 12 -10.433 14.911 -23.062 93 HG2 GLN 12 2HG GLN 12 -9.013 14.732 -25.005 94 HG3 GLN 12 3HG GLN 12 -9.743 13.171 -24.634 95 HE21 GLN 12 1HE2 GLN 12 -10.001 15.994 -26.722 96 HE22 GLN 12 2HE2 GLN 12 -10.738 15.171 -28.050 97 H GLU 13 H GLU 13 -13.989 15.943 -23.732 98 HA GLU 13 HA GLU 13 -15.056 15.430 -26.424 99 HB2 GLU 13 2HB GLU 13 -16.297 16.668 -23.970 100 HB3 GLU 13 3HB GLU 13 -17.038 16.775 -25.561 101 HG2 GLU 13 2HG GLU 13 -16.479 14.082 -25.258 102 HG3 GLU 13 3HG GLU 13 -17.028 14.595 -23.664 103 HA PRO 14 HA PRO 14 -13.636 19.306 -27.919 104 HB2 PRO 14 2HB PRO 14 -15.595 19.915 -29.697 105 HB3 PRO 14 3HB PRO 14 -14.399 18.645 -29.984 106 HG2 PRO 14 2HG PRO 14 -17.219 18.406 -29.010 107 HG3 PRO 14 3HG PRO 14 -16.358 17.412 -30.200 108 HD2 PRO 14 2HD PRO 14 -16.722 16.624 -27.635 109 HD3 PRO 14 3HD PRO 14 -15.287 16.174 -28.578 110 H LYS 15 H LYS 15 -13.685 21.295 -27.091 111 HA LYS 15 HA LYS 15 -15.941 22.925 -26.871 112 HB2 LYS 15 2HB LYS 15 -16.731 21.502 -25.113 113 HB3 LYS 15 3HB LYS 15 -15.158 21.502 -24.327 114 HG2 LYS 15 2HG LYS 15 -15.642 23.337 -23.179 115 HG3 LYS 15 3HG LYS 15 -16.177 24.186 -24.632 116 HD2 LYS 15 2HD LYS 15 -18.345 23.788 -24.203 117 HD3 LYS 15 3HD LYS 15 -18.036 22.123 -23.705 118 HE2 LYS 15 2HE LYS 15 -18.690 22.985 -21.701 119 HE3 LYS 15 3HE LYS 15 -16.966 23.343 -21.610 120 HZ1 LYS 15 3HZ LYS 15 -18.100 25.301 -21.002 121 HZ2 LYS 15 1HZ LYS 15 -19.166 25.199 -22.312 122 HZ3 LYS 15 2HZ LYS 15 -17.537 25.571 -22.574 123 H LYS 16 H LYS 16 -13.550 22.586 -24.296 124 HA LYS 16 HA LYS 16 -12.075 24.139 -23.470 125 HB2 LYS 16 2HB LYS 16 -11.178 23.033 -25.847 126 HB3 LYS 16 3HB LYS 16 -10.913 24.756 -26.075 127 HG2 LYS 16 2HG LYS 16 -10.009 23.430 -23.557 128 HG3 LYS 16 3HG LYS 16 -9.049 23.289 -25.032 129 HD2 LYS 16 2HD LYS 16 -8.168 25.154 -23.902 130 HD3 LYS 16 3HD LYS 16 -9.189 25.830 -25.173 131 HE2 LYS 16 2HE LYS 16 -10.477 26.860 -23.679 132 HE3 LYS 16 3HE LYS 16 -10.716 25.366 -22.774 133 HZ1 LYS 16 3HZ LYS 16 -9.387 27.520 -21.862 134 HZ2 LYS 16 1HZ LYS 16 -8.114 26.559 -22.425 135 HZ3 LYS 16 2HZ LYS 16 -9.188 25.948 -21.270 136 H ASP 17 H ASP 17 -14.452 25.392 -23.787 137 HA ASP 17 HA ASP 17 -13.801 27.952 -25.084 138 HB2 ASP 17 2HB ASP 17 -16.502 26.851 -24.278 139 HB3 ASP 17 3HB ASP 17 -16.221 28.392 -25.083 140 H TYR 18 H TYR 18 -13.639 29.772 -23.908 141 HA TYR 18 HA TYR 18 -14.580 29.761 -21.133 142 HB2 TYR 18 2HB TYR 18 -12.499 30.601 -20.280 143 HB3 TYR 18 3HB TYR 18 -12.151 29.137 -21.194 144 HD1 TYR 18 HD2 TYR 18 -11.910 32.815 -21.214 145 HD2 TYR 18 HD1 TYR 18 -10.797 29.201 -23.165 146 HE1 TYR 18 HE2 TYR 18 -10.265 34.054 -22.559 147 HE2 TYR 18 HE1 TYR 18 -9.149 30.430 -24.515 148 HH TYR 18 HH TYR 18 -7.800 32.762 -24.096 149 H LEU 19 H LEU 19 -14.948 31.840 -20.242 150 HA LEU 19 HA LEU 19 -15.663 33.812 -22.241 151 HB2 LEU 19 2HB LEU 19 -16.268 33.339 -19.381 152 HB3 LEU 19 3HB LEU 19 -16.334 35.006 -19.948 153 HG LEU 19 HG LEU 19 -17.907 32.744 -21.173 154 HD11 LEU 19 1HD1 LEU 19 -19.784 34.191 -19.990 155 HD12 LEU 19 2HD1 LEU 19 -18.467 34.521 -18.865 156 HD13 LEU 19 3HD1 LEU 19 -18.972 32.859 -19.168 157 HD21 LEU 19 3HD2 LEU 19 -17.380 35.454 -21.947 158 HD22 LEU 19 1HD2 LEU 19 -19.096 35.252 -21.595 159 HD23 LEU 19 2HD2 LEU 19 -18.312 34.214 -22.786 160 H VAL 20 H VAL 20 -14.880 35.908 -22.364 161 HA VAL 20 HA VAL 20 -12.183 36.343 -21.995 162 HB VAL 20 HB VAL 20 -14.316 38.483 -21.993 163 HG11 VAL 20 1HG1 VAL 20 -12.422 39.783 -23.106 164 HG12 VAL 20 2HG1 VAL 20 -12.297 39.504 -21.368 165 HG13 VAL 20 3HG1 VAL 20 -11.354 38.523 -22.490 166 HG21 VAL 20 3HG2 VAL 20 -14.725 38.010 -24.125 167 HG22 VAL 20 1HG2 VAL 20 -13.009 38.134 -24.513 168 HG23 VAL 20 2HG2 VAL 20 -13.685 36.593 -23.987 169 H GLY 21 H GLY 21 -10.909 36.880 -20.332 170 HA2 GLY 21 2HA GLY 21 -10.337 37.962 -18.322 171 HA3 GLY 21 3HA GLY 21 -12.046 38.192 -17.986 172 H ASP 22 H ASP 22 -12.371 35.227 -18.730 173 HA ASP 22 HA ASP 22 -11.973 34.262 -16.020 174 HB2 ASP 22 2HB ASP 22 -14.005 33.898 -17.765 175 HB3 ASP 22 3HB ASP 22 -13.067 32.441 -18.081 176 H SER 23 H SER 23 -10.279 34.221 -18.920 177 HA SER 23 HA SER 23 -8.389 33.161 -19.613 178 HB2 SER 23 2HB SER 23 -7.961 31.695 -17.077 179 HB3 SER 23 3HB SER 23 -6.844 32.695 -18.006 180 HG SER 23 HG SER 23 -7.297 33.795 -16.141 181 H LEU 24 H LEU 24 -7.309 30.700 -19.183 182 HA LEU 24 HA LEU 24 -8.828 29.003 -20.736 183 HB2 LEU 24 2HB LEU 24 -6.628 28.501 -18.766 184 HB3 LEU 24 3HB LEU 24 -7.398 27.166 -19.622 185 HG LEU 24 HG LEU 24 -6.732 28.875 -21.664 186 HD11 LEU 24 1HD1 LEU 24 -4.130 28.810 -20.434 187 HD12 LEU 24 2HD1 LEU 24 -5.255 29.772 -19.476 188 HD13 LEU 24 3HD1 LEU 24 -4.990 30.159 -21.176 189 HD21 LEU 24 3HD2 LEU 24 -5.466 27.130 -22.387 190 HD22 LEU 24 1HD2 LEU 24 -6.356 26.305 -21.107 191 HD23 LEU 24 2HD2 LEU 24 -4.713 26.875 -20.812 192 H ASP 25 H ASP 25 -10.574 27.797 -20.406 193 HA ASP 25 HA ASP 25 -11.174 26.797 -17.730 194 HB2 ASP 25 2HB ASP 25 -12.338 29.033 -18.094 195 HB3 ASP 25 3HB ASP 25 -13.296 28.224 -19.331 196 H LEU 26 H LEU 26 -10.558 24.799 -18.754 197 HA LEU 26 HA LEU 26 -12.599 23.747 -20.599 198 HB2 LEU 26 2HB LEU 26 -10.441 23.751 -21.633 199 HB3 LEU 26 3HB LEU 26 -9.710 22.987 -20.224 200 HG LEU 26 HG LEU 26 -11.103 20.956 -20.726 201 HD11 LEU 26 1HD1 LEU 26 -11.442 21.950 -23.502 202 HD12 LEU 26 2HD1 LEU 26 -12.598 22.486 -22.282 203 HD13 LEU 26 3HD1 LEU 26 -12.384 20.764 -22.597 204 HD21 LEU 26 3HD2 LEU 26 -9.699 20.584 -22.975 205 HD22 LEU 26 1HD2 LEU 26 -8.973 20.543 -21.368 206 HD23 LEU 26 2HD2 LEU 26 -8.865 22.006 -22.346 207 H SER 27 H SER 27 -13.932 22.271 -19.804 208 HA SER 27 HA SER 27 -13.011 20.577 -17.582 209 HB2 SER 27 2HB SER 27 -15.155 20.781 -16.480 210 HB3 SER 27 3HB SER 27 -14.517 22.400 -16.766 211 HG SER 27 HG SER 27 -16.619 22.443 -17.420 212 H GLU 28 H GLU 28 -13.917 20.601 -20.682 213 HA GLU 28 HA GLU 28 -15.500 18.131 -20.529 214 HB2 GLU 28 2HB GLU 28 -15.242 20.301 -22.558 215 HB3 GLU 28 3HB GLU 28 -15.629 18.682 -23.121 216 HG2 GLU 28 2HG GLU 28 -17.269 19.430 -20.868 217 HG3 GLU 28 3HG GLU 28 -17.400 20.597 -22.182 218 H GLY 29 H GLY 29 -12.394 19.343 -21.265 219 HA2 GLY 29 2HA GLY 29 -11.675 17.071 -22.948 220 HA3 GLY 29 3HA GLY 29 -10.643 18.433 -22.541 221 H ARG 30 H ARG 30 -12.168 15.559 -21.117 222 HA ARG 30 HA ARG 30 -9.879 15.373 -19.272 223 HB2 ARG 30 2HB ARG 30 -11.263 14.326 -17.678 224 HB3 ARG 30 3HB ARG 30 -12.223 15.658 -18.308 225 HG2 ARG 30 2HG ARG 30 -12.856 13.521 -19.957 226 HG3 ARG 30 3HG ARG 30 -12.751 12.819 -18.341 227 HD2 ARG 30 2HD ARG 30 -14.274 14.585 -17.519 228 HD3 ARG 30 3HD ARG 30 -14.424 15.188 -19.169 229 HE ARG 30 HE ARG 30 -15.081 12.433 -19.034 230 HH11 ARG 30 1HH1 ARG 30 -16.308 15.603 -18.280 231 HH12 ARG 30 2HH1 ARG 30 -17.971 15.135 -18.421 232 HH21 ARG 30 1HH2 ARG 30 -17.266 11.805 -19.222 233 HH22 ARG 30 2HH2 ARG 30 -18.515 12.975 -18.956 234 H PHE 31 H PHE 31 -9.019 13.273 -18.831 235 HA PHE 31 HA PHE 31 -9.618 11.263 -20.897 236 HB2 PHE 31 2HB PHE 31 -7.229 10.726 -21.027 237 HB3 PHE 31 3HB PHE 31 -7.519 12.409 -21.453 238 HD1 PHE 31 HD1 PHE 31 -6.990 14.197 -19.799 239 HD2 PHE 31 HD2 PHE 31 -5.848 10.139 -19.213 240 HE1 PHE 31 HE1 PHE 31 -5.344 14.908 -18.114 241 HE2 PHE 31 HE2 PHE 31 -4.201 10.843 -17.526 242 HZ PHE 31 HZ PHE 31 -3.948 13.229 -16.974 243 H ALA 32 H ALA 32 -9.347 9.087 -20.299 244 HA ALA 32 HA ALA 32 -9.361 8.654 -17.389 245 HB1 ALA 32 1HB ALA 32 -10.518 6.932 -19.579 246 HB2 ALA 32 2HB ALA 32 -10.608 6.603 -17.848 247 HB3 ALA 32 3HB ALA 32 -11.425 8.014 -18.521 248 H VAL 33 H VAL 33 -7.600 7.773 -16.547 249 HA VAL 33 HA VAL 33 -5.872 6.130 -18.274 250 HB VAL 33 HB VAL 33 -4.851 8.189 -17.303 251 HG11 VAL 33 1HG1 VAL 33 -6.173 7.485 -15.016 252 HG12 VAL 33 2HG1 VAL 33 -4.514 7.007 -14.651 253 HG13 VAL 33 3HG1 VAL 33 -4.872 8.670 -15.117 254 HG21 VAL 33 3HG2 VAL 33 -2.783 7.171 -16.792 255 HG22 VAL 33 1HG2 VAL 33 -3.564 5.715 -16.178 256 HG23 VAL 33 2HG2 VAL 33 -3.592 6.069 -17.905 257 H ALA 34 H ALA 34 -5.278 4.099 -17.668 258 HA ALA 34 HA ALA 34 -6.679 2.983 -15.340 259 HB1 ALA 34 1HB ALA 34 -5.433 1.056 -17.127 260 HB2 ALA 34 2HB ALA 34 -7.099 1.162 -16.558 261 HB3 ALA 34 3HB ALA 34 -6.582 2.112 -17.950 262 H TYR 35 H TYR 35 -5.605 2.069 -13.678 263 HA TYR 35 HA TYR 35 -2.682 2.255 -13.723 264 HB2 TYR 35 2HB TYR 35 -4.702 2.117 -11.493 265 HB3 TYR 35 3HB TYR 35 -2.984 1.869 -11.202 266 HD1 TYR 35 HD2 TYR 35 -5.421 4.322 -12.570 267 HD2 TYR 35 HD1 TYR 35 -1.555 3.700 -10.906 268 HE1 TYR 35 HE2 TYR 35 -5.103 6.756 -12.413 269 HE2 TYR 35 HE1 TYR 35 -1.227 6.132 -10.743 270 HH TYR 35 HH TYR 35 -2.563 8.276 -12.288 271 H SER 36 H SER 36 -1.477 0.539 -12.531 272 HA SER 36 HA SER 36 -2.199 -2.030 -13.587 273 HB2 SER 36 2HB SER 36 0.106 -1.665 -13.645 274 HB3 SER 36 3HB SER 36 0.134 -0.959 -12.029 275 HG SER 36 HG SER 36 -0.390 -3.689 -12.609 276 H ASN 37 H ASN 37 -2.893 -0.370 -10.733 277 HA ASN 37 HA ASN 37 -3.228 -2.799 -9.145 278 HB2 ASN 37 2HB ASN 37 -2.273 -0.491 -8.319 279 HB3 ASN 37 3HB ASN 37 -3.976 -0.072 -8.158 280 HD21 ASN 37 1HD2 ASN 37 -2.256 -0.158 -5.999 281 HD22 ASN 37 2HD2 ASN 37 -2.718 -1.458 -4.960 282 H ASP 38 H ASP 38 -4.903 -2.048 -11.517 283 HA ASP 38 HA ASP 38 -7.080 -2.167 -12.166 284 HB2 ASP 38 2HB ASP 38 -6.901 -4.184 -10.596 285 HB3 ASP 38 3HB ASP 38 -7.724 -3.184 -9.403 286 H THR 39 H THR 39 -6.812 0.261 -11.987 287 HA THR 39 HA THR 39 -9.121 1.316 -10.620 288 HB THR 39 HB THR 39 -7.274 3.218 -9.837 289 HG1 THR 39 HG1 THR 39 -5.452 2.235 -9.436 290 HG21 THR 39 3HG2 THR 39 -7.646 2.007 -7.528 291 HG22 THR 39 1HG2 THR 39 -8.809 1.064 -8.458 292 HG23 THR 39 2HG2 THR 39 -8.980 2.816 -8.348 293 H MET 40 H MET 40 -9.804 3.310 -11.437 294 HA MET 40 HA MET 40 -8.246 4.356 -13.707 295 HB2 MET 40 2HB MET 40 -11.145 3.621 -13.558 296 HB3 MET 40 3HB MET 40 -10.636 4.922 -14.626 297 HG2 MET 40 2HG MET 40 -9.044 3.347 -15.693 298 HG3 MET 40 3HG MET 40 -9.719 2.059 -14.698 299 HE1 MET 40 3HE MET 40 -11.921 0.462 -16.440 300 HE2 MET 40 1HE MET 40 -10.874 0.848 -17.806 301 HE3 MET 40 2HE MET 40 -10.179 0.615 -16.202 302 H GLU 41 H GLU 41 -8.216 6.563 -13.975 303 HA GLU 41 HA GLU 41 -9.723 8.174 -12.033 304 HB2 GLU 41 2HB GLU 41 -6.845 7.844 -12.206 305 HB3 GLU 41 3HB GLU 41 -7.310 9.527 -12.409 306 HG2 GLU 41 2HG GLU 41 -7.395 9.670 -10.204 307 HG3 GLU 41 3HG GLU 41 -8.833 8.652 -10.266 308 H GLU 42 H GLU 42 -10.636 9.973 -12.844 309 HA GLU 42 HA GLU 42 -9.911 10.739 -15.596 310 HB2 GLU 42 2HB GLU 42 -12.593 10.573 -14.248 311 HB3 GLU 42 3HB GLU 42 -12.347 11.597 -15.655 312 HG2 GLU 42 2HG GLU 42 -11.910 9.779 -17.051 313 HG3 GLU 42 3HG GLU 42 -11.621 8.693 -15.694 314 H HIS 43 H HIS 43 -9.628 12.876 -16.056 315 HA HIS 43 HA HIS 43 -10.351 14.919 -14.140 316 HB2 HIS 43 2HB HIS 43 -7.646 13.844 -14.298 317 HB3 HIS 43 3HB HIS 43 -7.693 15.581 -14.585 318 HD1 HIS 43 HD1 HIS 43 -9.919 16.342 -12.582 319 HD2 HIS 43 HD2 HIS 43 -6.755 13.792 -11.722 320 HE1 HIS 43 HE1 HIS 43 -9.664 16.407 -10.082 321 H SER 44 H SER 44 -10.571 16.916 -15.059 322 HA SER 44 HA SER 44 -9.959 17.088 -17.937 323 HB2 SER 44 2HB SER 44 -11.973 18.965 -16.952 324 HB3 SER 44 3HB SER 44 -12.034 17.873 -18.335 325 HG SER 44 HG SER 44 -12.709 17.370 -15.645 326 H PHE 45 H PHE 45 -8.500 18.548 -18.506 327 HA PHE 45 HA PHE 45 -6.887 20.162 -18.241 328 HB2 PHE 45 2HB PHE 45 -9.039 21.324 -18.995 329 HB3 PHE 45 3HB PHE 45 -9.200 21.867 -17.328 330 HD1 PHE 45 HD2 PHE 45 -6.984 21.984 -20.290 331 HD2 PHE 45 HD1 PHE 45 -8.013 23.727 -16.546 332 HE1 PHE 45 HE2 PHE 45 -5.506 23.890 -20.775 333 HE2 PHE 45 HE1 PHE 45 -6.537 25.636 -17.025 334 HZ PHE 45 HZ PHE 45 -5.280 25.719 -19.141 335 H THR 46 H THR 46 -6.110 18.899 -16.307 336 HA THR 46 HA THR 46 -5.562 20.706 -14.177 337 HB THR 46 HB THR 46 -7.772 20.059 -13.401 338 HG1 THR 46 HG1 THR 46 -6.493 20.298 -11.663 339 HG21 THR 46 3HG2 THR 46 -7.361 17.676 -14.605 340 HG22 THR 46 1HG2 THR 46 -8.595 17.950 -13.376 341 HG23 THR 46 2HG2 THR 46 -7.046 17.238 -12.927 342 H ASP 47 H ASP 47 -5.576 17.373 -15.327 343 HA ASP 47 HA ASP 47 -3.553 16.371 -13.656 344 HB2 ASP 47 2HB ASP 47 -5.176 15.319 -15.608 345 HB3 ASP 47 3HB ASP 47 -3.589 15.256 -16.371 346 H GLU 48 H GLU 48 -1.370 16.401 -13.750 347 HA GLU 48 HA GLU 48 -0.163 18.230 -15.679 348 HB2 GLU 48 2HB GLU 48 0.671 17.116 -13.029 349 HB3 GLU 48 3HB GLU 48 1.894 17.738 -14.127 350 HG2 GLU 48 2HG GLU 48 -0.498 19.377 -13.387 351 HG3 GLU 48 3HG GLU 48 0.926 19.309 -12.349 352 H GLY 49 H GLY 49 -1.018 15.374 -16.226 353 HA2 GLY 49 2HA GLY 49 1.532 14.071 -16.781 354 HA3 GLY 49 3HA GLY 49 -0.066 13.378 -17.016 355 H VAL 50 H VAL 50 -1.079 15.660 -18.510 356 HA VAL 50 HA VAL 50 0.348 15.172 -21.040 357 HB VAL 50 HB VAL 50 -2.018 14.377 -20.921 358 HG11 VAL 50 1HG1 VAL 50 -2.795 16.275 -19.479 359 HG12 VAL 50 2HG1 VAL 50 -2.743 17.300 -20.915 360 HG13 VAL 50 3HG1 VAL 50 -3.835 15.915 -20.857 361 HG21 VAL 50 3HG2 VAL 50 -1.010 14.853 -23.066 362 HG22 VAL 50 1HG2 VAL 50 -2.694 15.374 -23.080 363 HG23 VAL 50 2HG2 VAL 50 -1.405 16.564 -22.908 364 H GLU 51 H GLU 51 1.078 16.847 -22.237 365 HA GLU 51 HA GLU 51 0.745 19.533 -21.092 366 HB2 GLU 51 2HB GLU 51 2.899 18.292 -22.789 367 HB3 GLU 51 3HB GLU 51 2.760 20.035 -22.610 368 HG2 GLU 51 2HG GLU 51 3.742 19.995 -20.626 369 HG3 GLU 51 3HG GLU 51 2.681 18.712 -20.048 370 H ILE 52 H ILE 52 0.101 21.261 -22.339 371 HA ILE 52 HA ILE 52 -1.027 20.566 -24.970 372 HB ILE 52 HB ILE 52 -1.893 22.947 -23.361 373 HG12 ILE 52 2HG1 ILE 52 -2.175 21.067 -21.859 374 HG13 ILE 52 3HG1 ILE 52 -3.751 21.545 -22.480 375 HG21 ILE 52 1HG2 ILE 52 -3.036 23.249 -25.254 376 HG22 ILE 52 2HG2 ILE 52 -2.699 21.613 -25.818 377 HG23 ILE 52 3HG2 ILE 52 -4.046 21.907 -24.718 378 HD11 ILE 52 3HD1 ILE 52 -2.474 19.007 -22.586 379 HD12 ILE 52 1HD1 ILE 52 -4.095 19.459 -23.111 380 HD13 ILE 52 2HD1 ILE 52 -2.738 19.586 -24.230 381 H SER 53 H SER 53 -0.472 21.719 -26.736 382 HA SER 53 HA SER 53 1.023 24.212 -26.409 383 HB2 SER 53 2HB SER 53 2.393 21.885 -26.813 384 HB3 SER 53 3HB SER 53 2.143 22.428 -28.472 385 HG SER 53 HG SER 53 3.535 23.968 -28.155 386 H GLY 54 H GLY 54 0.622 25.698 -27.967 387 HA2 GLY 54 2HA GLY 54 0.155 26.069 -30.383 388 HA3 GLY 54 3HA GLY 54 -1.070 24.818 -30.226 389 H TYR 55 H TYR 55 -1.772 25.916 -27.507 390 HA TYR 55 HA TYR 55 -3.758 27.782 -28.456 391 HB2 TYR 55 2HB TYR 55 -4.689 26.370 -26.881 392 HB3 TYR 55 3HB TYR 55 -3.234 26.340 -25.891 393 HD1 TYR 55 HD1 TYR 55 -2.802 28.091 -24.260 394 HD2 TYR 55 HD2 TYR 55 -6.322 28.153 -26.649 395 HE1 TYR 55 HE1 TYR 55 -3.784 29.775 -22.759 396 HE2 TYR 55 HE2 TYR 55 -7.313 29.837 -25.156 397 HH TYR 55 HH TYR 55 -7.085 30.640 -22.879 398 H ASP 56 H ASP 56 -3.749 29.934 -28.251 399 HA ASP 56 HA ASP 56 -1.420 31.171 -26.976 400 HB2 ASP 56 2HB ASP 56 -3.095 31.802 -29.284 401 HB3 ASP 56 3HB ASP 56 -2.828 33.193 -28.237 402 H ALA 57 H ALA 57 -1.706 31.709 -24.916 403 HA ALA 57 HA ALA 57 -4.230 32.105 -23.700 404 HB1 ALA 57 1HB ALA 57 -1.700 33.175 -22.519 405 HB2 ALA 57 2HB ALA 57 -3.081 32.423 -21.718 406 HB3 ALA 57 3HB ALA 57 -1.956 31.435 -22.650 407 H GLN 58 H GLN 58 -2.331 34.132 -25.628 408 HA GLN 58 HA GLN 58 -3.330 36.600 -24.449 409 HB2 GLN 58 2HB GLN 58 -1.284 35.898 -26.494 410 HB3 GLN 58 3HB GLN 58 -2.042 37.480 -26.609 411 HG2 GLN 58 2HG GLN 58 -1.379 37.918 -24.266 412 HG3 GLN 58 3HG GLN 58 -0.522 36.378 -24.259 413 HE21 GLN 58 1HE2 GLN 58 0.943 38.481 -23.661 414 HE22 GLN 58 2HE2 GLN 58 1.974 38.944 -24.968 415 H LYS 59 H LYS 59 -4.041 34.429 -27.030 416 HA LYS 59 HA LYS 59 -6.458 35.836 -27.653 417 HB2 LYS 59 2HB LYS 59 -4.087 36.142 -29.367 418 HB3 LYS 59 3HB LYS 59 -5.545 35.663 -30.225 419 HG2 LYS 59 2HG LYS 59 -6.251 37.756 -30.200 420 HG3 LYS 59 3HG LYS 59 -6.239 37.748 -28.435 421 HD2 LYS 59 2HD LYS 59 -4.251 38.835 -28.310 422 HD3 LYS 59 3HD LYS 59 -3.622 38.076 -29.775 423 HE2 LYS 59 2HE LYS 59 -3.933 40.442 -30.152 424 HE3 LYS 59 3HE LYS 59 -5.090 39.531 -31.121 425 HZ1 LYS 59 3HZ LYS 59 -6.335 40.043 -28.708 426 HZ2 LYS 59 1HZ LYS 59 -6.674 40.753 -30.206 427 HZ3 LYS 59 2HZ LYS 59 -5.584 41.494 -29.146 428 H THR 60 H THR 60 -7.968 34.516 -28.583 429 HA THR 60 HA THR 60 -7.105 31.749 -29.114 430 HB THR 60 HB THR 60 -9.668 31.327 -28.724 431 HG1 THR 60 HG1 THR 60 -9.385 33.490 -26.943 432 HG21 THR 60 3HG2 THR 60 -7.672 30.584 -27.328 433 HG22 THR 60 1HG2 THR 60 -9.214 30.724 -26.486 434 HG23 THR 60 2HG2 THR 60 -7.995 31.986 -26.310 435 H GLY 61 H GLY 61 -10.141 33.404 -29.896 436 HA2 GLY 61 2HA GLY 61 -11.332 33.453 -31.867 437 HA3 GLY 61 3HA GLY 61 -9.803 33.987 -32.548 438 H ARG 62 H ARG 62 -11.132 30.899 -31.350 439 HA ARG 62 HA ARG 62 -11.223 28.826 -32.284 440 HB2 ARG 62 2HB ARG 62 -12.187 30.339 -34.200 441 HB3 ARG 62 3HB ARG 62 -10.667 29.957 -34.999 442 HG2 ARG 62 2HG ARG 62 -12.051 27.630 -33.895 443 HG3 ARG 62 3HG ARG 62 -12.943 28.477 -35.160 444 HD2 ARG 62 2HD ARG 62 -10.501 28.416 -36.280 445 HD3 ARG 62 3HD ARG 62 -10.420 26.948 -35.307 446 HE ARG 62 HE ARG 62 -12.843 26.965 -36.718 447 HH11 ARG 62 1HH1 ARG 62 -9.421 26.675 -37.288 448 HH12 ARG 62 2HH1 ARG 62 -9.607 25.700 -38.707 449 HH21 ARG 62 1HH2 ARG 62 -13.102 25.681 -38.586 450 HH22 ARG 62 2HH2 ARG 62 -11.702 25.136 -39.445 451 H GLN 63 H GLN 63 -9.009 28.947 -31.101 452 HA GLN 63 HA GLN 63 -6.784 28.582 -32.970 453 HB2 GLN 63 2HB GLN 63 -7.029 29.362 -30.132 454 HB3 GLN 63 3HB GLN 63 -5.654 28.336 -30.517 455 HG2 GLN 63 2HG GLN 63 -6.095 30.622 -32.319 456 HG3 GLN 63 3HG GLN 63 -5.619 31.015 -30.668 457 HE21 GLN 63 1HE2 GLN 63 -3.649 31.831 -31.484 458 HE22 GLN 63 2HE2 GLN 63 -2.368 30.768 -31.946 459 H THR 64 H THR 64 -5.542 26.711 -33.022 460 HA THR 64 HA THR 64 -6.956 24.307 -32.200 461 HB THR 64 HB THR 64 -4.768 23.321 -33.404 462 HG1 THR 64 HG1 THR 64 -5.160 25.653 -34.929 463 HG21 THR 64 3HG2 THR 64 -7.287 23.224 -34.000 464 HG22 THR 64 1HG2 THR 64 -6.102 22.956 -35.278 465 HG23 THR 64 2HG2 THR 64 -6.905 24.520 -35.132 466 H LEU 65 H LEU 65 -6.039 22.649 -30.945 467 HA LEU 65 HA LEU 65 -3.654 23.395 -29.393 468 HB2 LEU 65 2HB LEU 65 -6.148 22.115 -28.284 469 HB3 LEU 65 3HB LEU 65 -4.685 22.499 -27.380 470 HG LEU 65 HG LEU 65 -5.214 24.948 -28.138 471 HD11 LEU 65 1HD1 LEU 65 -7.174 25.353 -29.095 472 HD12 LEU 65 2HD1 LEU 65 -8.033 24.429 -27.863 473 HD13 LEU 65 3HD1 LEU 65 -7.378 23.611 -29.282 474 HD21 LEU 65 3HD2 LEU 65 -6.416 23.335 -25.934 475 HD22 LEU 65 1HD2 LEU 65 -6.881 25.026 -26.128 476 HD23 LEU 65 2HD2 LEU 65 -5.190 24.601 -25.864 477 H THR 66 H THR 66 -2.380 21.672 -28.636 478 HA THR 66 HA THR 66 -3.047 19.013 -29.703 479 HB THR 66 HB THR 66 -0.242 19.225 -29.801 480 HG1 THR 66 HG1 THR 66 -0.123 21.012 -31.362 481 HG21 THR 66 3HG2 THR 66 -1.497 17.823 -31.281 482 HG22 THR 66 1HG2 THR 66 -0.638 19.005 -32.268 483 HG23 THR 66 2HG2 THR 66 -2.361 19.208 -31.949 484 H LEU 67 H LEU 67 -3.314 17.799 -27.940 485 HA LEU 67 HA LEU 67 -1.557 18.208 -25.631 486 HB2 LEU 67 2HB LEU 67 -3.156 16.781 -24.427 487 HB3 LEU 67 3HB LEU 67 -3.909 18.210 -25.134 488 HG LEU 67 HG LEU 67 -4.080 15.899 -26.887 489 HD11 LEU 67 1HD1 LEU 67 -4.325 14.403 -25.191 490 HD12 LEU 67 2HD1 LEU 67 -5.981 15.003 -25.274 491 HD13 LEU 67 3HD1 LEU 67 -4.880 15.621 -24.043 492 HD21 LEU 67 3HD2 LEU 67 -5.402 18.238 -26.547 493 HD22 LEU 67 1HD2 LEU 67 -6.495 17.115 -25.736 494 HD23 LEU 67 2HD2 LEU 67 -6.047 16.848 -27.421 495 H HIS 68 H HIS 68 0.102 16.898 -25.283 496 HA HIS 68 HA HIS 68 0.042 14.203 -26.474 497 HB2 HIS 68 2HB HIS 68 1.748 16.179 -27.241 498 HB3 HIS 68 3HB HIS 68 2.694 15.398 -25.977 499 HD1 HIS 68 HD1 HIS 68 2.250 15.264 -29.467 500 HD2 HIS 68 HD2 HIS 68 2.624 12.376 -26.504 501 HE1 HIS 68 HE1 HIS 68 2.957 13.165 -30.659 502 H TYR 69 H TYR 69 0.379 12.547 -25.127 503 HA TYR 69 HA TYR 69 1.713 13.023 -22.565 504 HB2 TYR 69 2HB TYR 69 -0.583 13.249 -21.954 505 HB3 TYR 69 3HB TYR 69 -1.045 11.847 -22.914 506 HD1 TYR 69 HD2 TYR 69 1.777 12.195 -20.511 507 HD2 TYR 69 HD1 TYR 69 -1.979 10.381 -21.354 508 HE1 TYR 69 HE2 TYR 69 2.031 10.760 -18.530 509 HE2 TYR 69 HE1 TYR 69 -1.735 8.942 -19.374 510 HH TYR 69 HH TYR 69 0.559 9.498 -16.970 511 H GLN 70 H GLN 70 3.323 11.619 -22.447 512 HA GLN 70 HA GLN 70 4.527 9.691 -22.537 513 HB2 GLN 70 2HB GLN 70 1.761 8.803 -22.266 514 HB3 GLN 70 3HB GLN 70 2.769 7.630 -23.103 515 HG2 GLN 70 2HG GLN 70 3.592 8.855 -20.494 516 HG3 GLN 70 3HG GLN 70 2.569 7.422 -20.579 517 HE21 GLN 70 1HE2 GLN 70 3.428 5.502 -21.430 518 HE22 GLN 70 2HE2 GLN 70 5.133 5.239 -21.521 519 H GLY 71 H GLY 71 1.975 8.626 -24.751 520 HA2 GLY 71 2HA GLY 71 3.747 9.087 -27.037 521 HA3 GLY 71 3HA GLY 71 3.258 7.432 -26.707 522 H HIS 72 H HIS 72 0.889 9.693 -25.858 523 HA HIS 72 HA HIS 72 -0.582 9.100 -28.340 524 HB2 HIS 72 2HB HIS 72 -1.304 8.604 -25.701 525 HB3 HIS 72 3HB HIS 72 -2.213 10.052 -26.124 526 HD1 HIS 72 HD1 HIS 72 -2.521 6.522 -26.191 527 HD2 HIS 72 HD2 HIS 72 -3.609 9.580 -28.784 528 HE1 HIS 72 HE1 HIS 72 -4.295 5.541 -27.679 529 H GLU 73 H GLU 73 -1.915 10.739 -29.247 530 HA GLU 73 HA GLU 73 -1.492 13.465 -28.279 531 HB2 GLU 73 2HB GLU 73 -0.716 14.305 -30.352 532 HB3 GLU 73 3HB GLU 73 0.254 12.877 -30.021 533 HG2 GLU 73 2HG GLU 73 -2.130 12.967 -31.855 534 HG3 GLU 73 3HG GLU 73 -0.444 13.029 -32.366 535 H VAL 74 H VAL 74 -3.226 14.765 -28.537 536 HA VAL 74 HA VAL 74 -5.381 13.900 -30.334 537 HB VAL 74 HB VAL 74 -5.913 14.843 -27.518 538 HG11 VAL 74 1HG1 VAL 74 -7.612 13.856 -29.779 539 HG12 VAL 74 2HG1 VAL 74 -8.159 13.719 -28.107 540 HG13 VAL 74 3HG1 VAL 74 -7.803 15.305 -28.792 541 HG21 VAL 74 3HG2 VAL 74 -6.722 12.259 -27.535 542 HG22 VAL 74 1HG2 VAL 74 -5.286 12.164 -28.555 543 HG23 VAL 74 2HG2 VAL 74 -5.163 12.806 -26.917 544 H SER 75 H SER 75 -6.641 15.544 -31.183 545 HA SER 75 HA SER 75 -5.474 18.211 -30.956 546 HB2 SER 75 2HB SER 75 -5.700 17.863 -33.204 547 HB3 SER 75 3HB SER 75 -7.066 16.765 -33.004 548 HG SER 75 HG SER 75 -7.042 19.583 -33.035 549 H PHE 76 H PHE 76 -6.664 20.051 -30.456 550 HA PHE 76 HA PHE 76 -9.403 19.657 -29.487 551 HB2 PHE 76 2HB PHE 76 -7.198 19.914 -27.780 552 HB3 PHE 76 3HB PHE 76 -7.960 21.501 -27.781 553 HD1 PHE 76 HD1 PHE 76 -10.345 21.717 -27.116 554 HD2 PHE 76 HD2 PHE 76 -8.184 18.077 -26.677 555 HE1 PHE 76 HE1 PHE 76 -12.043 20.905 -25.531 556 HE2 PHE 76 HE2 PHE 76 -9.878 17.258 -25.092 557 HZ PHE 76 HZ PHE 76 -11.811 18.672 -24.518 558 H ASP 77 H ASP 77 -10.498 21.777 -29.049 559 HA ASP 77 HA ASP 77 -9.452 23.927 -30.762 560 HB2 ASP 77 2HB ASP 77 -11.626 22.306 -31.415 561 HB3 ASP 77 3HB ASP 77 -12.354 23.787 -30.800 562 H VAL 78 H VAL 78 -9.613 25.934 -29.940 563 HA VAL 78 HA VAL 78 -11.153 26.258 -27.446 564 HB VAL 78 HB VAL 78 -8.735 26.334 -27.036 565 HG11 VAL 78 1HG1 VAL 78 -8.181 28.888 -28.247 566 HG12 VAL 78 2HG1 VAL 78 -7.302 27.364 -28.389 567 HG13 VAL 78 3HG1 VAL 78 -8.656 27.707 -29.467 568 HG21 VAL 78 3HG2 VAL 78 -10.294 28.883 -26.711 569 HG22 VAL 78 1HG2 VAL 78 -9.998 27.614 -25.522 570 HG23 VAL 78 2HG2 VAL 78 -8.682 28.674 -26.027 571 H LEU 79 H LEU 79 -12.493 27.979 -27.267 572 HA LEU 79 HA LEU 79 -12.363 30.120 -29.247 573 HB2 LEU 79 2HB LEU 79 -14.218 27.993 -29.398 574 HB3 LEU 79 3HB LEU 79 -15.108 29.422 -28.878 575 HG LEU 79 HG LEU 79 -13.334 29.911 -31.151 576 HD11 LEU 79 1HD1 LEU 79 -15.374 28.752 -32.515 577 HD12 LEU 79 2HD1 LEU 79 -15.159 27.617 -31.183 578 HD13 LEU 79 3HD1 LEU 79 -13.800 28.006 -32.237 579 HD21 LEU 79 3HD2 LEU 79 -14.883 31.459 -31.609 580 HD22 LEU 79 1HD2 LEU 79 -15.505 31.103 -29.998 581 HD23 LEU 79 2HD2 LEU 79 -16.217 30.322 -31.410 582 H VAL 80 H VAL 80 -12.608 32.026 -28.292 583 HA VAL 80 HA VAL 80 -13.668 32.107 -25.564 584 HB VAL 80 HB VAL 80 -11.423 33.114 -26.098 585 HG11 VAL 80 1HG1 VAL 80 -13.006 35.344 -27.351 586 HG12 VAL 80 2HG1 VAL 80 -11.253 35.150 -27.287 587 HG13 VAL 80 3HG1 VAL 80 -12.224 34.078 -28.297 588 HG21 VAL 80 3HG2 VAL 80 -13.614 34.792 -24.897 589 HG22 VAL 80 1HG2 VAL 80 -12.454 33.755 -24.068 590 HG23 VAL 80 2HG2 VAL 80 -11.912 35.250 -24.830 591 H SER 81 H SER 81 -15.467 33.208 -24.998 592 HA SER 81 HA SER 81 -16.984 34.480 -27.178 593 HB2 SER 81 2HB SER 81 -17.721 32.577 -25.133 594 HB3 SER 81 3HB SER 81 -18.714 34.029 -25.006 595 HG SER 81 HG SER 81 -19.513 32.377 -26.474 596 HA PRO 82 HA PRO 82 -16.970 38.387 -25.185 597 HB2 PRO 82 2HB PRO 82 -19.497 39.278 -25.623 598 HB3 PRO 82 3HB PRO 82 -18.285 39.162 -26.903 599 HG2 PRO 82 2HG PRO 82 -20.510 37.278 -26.226 600 HG3 PRO 82 3HG PRO 82 -19.966 37.841 -27.817 601 HD2 PRO 82 2HD PRO 82 -19.280 35.420 -26.817 602 HD3 PRO 82 3HD PRO 82 -18.210 36.350 -27.885 603 H LYS 83 H LYS 83 -16.897 38.701 -23.058 604 HA LYS 83 HA LYS 83 -18.413 37.318 -21.159 605 HB2 LYS 83 2HB LYS 83 -16.214 38.498 -20.785 606 HB3 LYS 83 3HB LYS 83 -17.110 40.011 -20.744 607 HG2 LYS 83 2HG LYS 83 -18.450 39.063 -18.854 608 HG3 LYS 83 3HG LYS 83 -17.329 37.700 -18.832 609 HD2 LYS 83 2HD LYS 83 -15.472 39.210 -18.393 610 HD3 LYS 83 3HD LYS 83 -16.559 40.598 -18.481 611 HE2 LYS 83 2HE LYS 83 -17.014 40.373 -16.321 612 HE3 LYS 83 3HE LYS 83 -17.654 38.759 -16.624 613 HZ1 LYS 83 3HZ LYS 83 -14.757 39.000 -16.479 614 HZ2 LYS 83 1HZ LYS 83 -15.773 37.777 -15.902 615 HZ3 LYS 83 2HZ LYS 83 -15.599 39.214 -15.027 616 H ALA 84 H ALA 84 -20.274 37.750 -20.074 617 HA ALA 84 HA ALA 84 -21.608 40.313 -20.445 618 HB1 ALA 84 1HB ALA 84 -23.740 39.145 -21.084 619 HB2 ALA 84 2HB ALA 84 -22.482 39.147 -22.320 620 HB3 ALA 84 3HB ALA 84 -22.776 37.695 -21.363 621 H ALA 85 H ALA 85 -23.953 39.984 -19.307 622 HA ALA 85 HA ALA 85 -23.374 39.661 -16.562 623 HB1 ALA 85 1HB ALA 85 -26.055 39.807 -17.935 624 HB2 ALA 85 2HB ALA 85 -25.766 40.017 -16.208 625 HB3 ALA 85 3HB ALA 85 -25.107 41.178 -17.360 626 H LEU 86 H LEU 86 -24.207 38.128 -15.067 627 HA LEU 86 HA LEU 86 -25.486 35.728 -15.974 628 HB2 LEU 86 2HB LEU 86 -22.798 35.727 -16.325 629 HB3 LEU 86 3HB LEU 86 -22.921 35.076 -14.691 630 HG LEU 86 HG LEU 86 -24.599 33.865 -16.834 631 HD11 LEU 86 1HD1 LEU 86 -21.685 33.952 -16.852 632 HD12 LEU 86 2HD1 LEU 86 -22.815 33.453 -18.110 633 HD13 LEU 86 3HD1 LEU 86 -22.339 32.315 -16.850 634 HD21 LEU 86 3HD2 LEU 86 -25.010 32.931 -14.749 635 HD22 LEU 86 1HD2 LEU 86 -23.314 33.008 -14.269 636 HD23 LEU 86 2HD2 LEU 86 -23.841 31.816 -15.458 637 H ASN 87 H ASN 87 -26.243 34.436 -14.273 638 HA ASN 87 HA ASN 87 -25.821 35.540 -11.575 639 HB2 ASN 87 2HB ASN 87 -28.236 34.778 -11.155 640 HB3 ASN 87 3HB ASN 87 -28.006 36.232 -12.122 641 HD21 ASN 87 1HD2 ASN 87 -28.449 36.182 -14.316 642 HD22 ASN 87 2HD2 ASN 87 -29.358 34.906 -15.045 643 H ASP 88 H ASP 88 -25.763 34.084 -9.867 644 HA ASP 88 HA ASP 88 -26.041 31.239 -10.441 645 HB2 ASP 88 2HB ASP 88 -23.805 30.817 -9.304 646 HB3 ASP 88 3HB ASP 88 -23.732 31.484 -10.933 647 H GLU 89 H GLU 89 -25.904 29.913 -8.445 648 HA GLU 89 HA GLU 89 -27.434 31.149 -6.362 649 HB2 GLU 89 2HB GLU 89 -27.732 28.781 -7.134 650 HB3 GLU 89 3HB GLU 89 -26.194 28.395 -6.377 651 HG2 GLU 89 2HG GLU 89 -27.025 28.696 -4.234 652 HG3 GLU 89 3HG GLU 89 -28.392 29.657 -4.794 Start of MODEL 6 1 H SER 1 H SER 1 3.581 -1.908 -1.287 2 HA SER 1 HA SER 1 4.812 -0.837 -2.888 3 HB2 SER 1 2HB SER 1 3.662 -1.463 -5.288 4 HB3 SER 1 3HB SER 1 4.727 -2.537 -4.382 5 HG SER 1 HG SER 1 3.059 -3.734 -3.804 6 HA PRO 2 HA PRO 2 3.125 3.035 -4.075 7 HB2 PRO 2 2HB PRO 2 4.526 3.620 -6.326 8 HB3 PRO 2 3HB PRO 2 5.244 3.656 -4.711 9 HG2 PRO 2 2HG PRO 2 5.385 1.516 -6.800 10 HG3 PRO 2 3HG PRO 2 6.673 2.149 -5.757 11 HD2 PRO 2 2HD PRO 2 5.388 -0.178 -5.239 12 HD3 PRO 2 3HD PRO 2 6.007 0.878 -3.953 13 H LYS 3 H LYS 3 1.557 3.970 -5.337 14 HA LYS 3 HA LYS 3 0.276 2.213 -7.286 15 HB2 LYS 3 2HB LYS 3 -1.207 3.071 -5.616 16 HB3 LYS 3 3HB LYS 3 -0.640 4.716 -5.871 17 HG2 LYS 3 2HG LYS 3 -1.887 5.004 -7.757 18 HG3 LYS 3 3HG LYS 3 -1.858 3.288 -8.172 19 HD2 LYS 3 2HD LYS 3 -3.987 3.325 -7.437 20 HD3 LYS 3 3HD LYS 3 -3.239 3.226 -5.841 21 HE2 LYS 3 2HE LYS 3 -3.408 5.950 -6.866 22 HE3 LYS 3 3HE LYS 3 -4.983 5.177 -6.694 23 HZ1 LYS 3 3HZ LYS 3 -3.756 4.516 -4.390 24 HZ2 LYS 3 1HZ LYS 3 -4.813 5.823 -4.577 25 HZ3 LYS 3 2HZ LYS 3 -3.142 6.068 -4.665 26 H THR 4 H THR 4 0.955 2.416 -9.315 27 HA THR 4 HA THR 4 1.387 5.134 -10.373 28 HB THR 4 HB THR 4 2.754 3.123 -11.932 29 HG1 THR 4 HG1 THR 4 3.477 1.952 -10.320 30 HG21 THR 4 3HG2 THR 4 3.773 5.477 -10.338 31 HG22 THR 4 1HG2 THR 4 3.195 5.540 -12.002 32 HG23 THR 4 2HG2 THR 4 4.650 4.625 -11.607 33 H ILE 5 H ILE 5 1.155 5.229 -12.795 34 HA ILE 5 HA ILE 5 -1.400 4.199 -13.526 35 HB ILE 5 HB ILE 5 -1.257 5.485 -15.456 36 HG12 ILE 5 2HG1 ILE 5 0.725 4.510 -16.441 37 HG13 ILE 5 3HG1 ILE 5 0.906 6.261 -16.426 38 HG21 ILE 5 1HG2 ILE 5 -1.057 6.797 -13.329 39 HG22 ILE 5 2HG2 ILE 5 0.674 6.913 -13.642 40 HG23 ILE 5 3HG2 ILE 5 -0.476 7.627 -14.772 41 HD11 ILE 5 3HD1 ILE 5 2.304 6.064 -14.409 42 HD12 ILE 5 1HD1 ILE 5 2.176 4.309 -14.523 43 HD13 ILE 5 2HD1 ILE 5 2.978 5.221 -15.803 44 H LEU 6 H LEU 6 -1.541 3.304 -15.925 45 HA LEU 6 HA LEU 6 0.513 1.513 -16.750 46 HB2 LEU 6 2HB LEU 6 -0.554 0.408 -14.705 47 HB3 LEU 6 3HB LEU 6 -1.969 0.169 -15.727 48 HG LEU 6 HG LEU 6 -0.394 -1.066 -17.318 49 HD11 LEU 6 1HD1 LEU 6 1.756 -0.600 -16.663 50 HD12 LEU 6 2HD1 LEU 6 1.491 -2.152 -15.868 51 HD13 LEU 6 3HD1 LEU 6 1.363 -0.655 -14.944 52 HD21 LEU 6 3HD2 LEU 6 -1.532 -2.767 -16.464 53 HD22 LEU 6 1HD2 LEU 6 -1.776 -1.887 -14.955 54 HD23 LEU 6 2HD2 LEU 6 -0.339 -2.887 -15.170 55 H GLY 7 H GLY 7 -3.008 2.038 -16.794 56 HA2 GLY 7 2HA GLY 7 -3.003 1.436 -19.673 57 HA3 GLY 7 3HA GLY 7 -4.421 1.446 -18.635 58 H ILE 8 H ILE 8 -4.394 2.762 -21.071 59 HA ILE 8 HA ILE 8 -4.722 5.529 -20.170 60 HB ILE 8 HB ILE 8 -2.560 5.535 -21.255 61 HG12 ILE 8 2HG1 ILE 8 -4.706 6.700 -23.044 62 HG13 ILE 8 3HG1 ILE 8 -4.015 7.475 -21.622 63 HG21 ILE 8 1HG2 ILE 8 -3.955 4.357 -23.656 64 HG22 ILE 8 2HG2 ILE 8 -2.263 4.845 -23.570 65 HG23 ILE 8 3HG2 ILE 8 -2.843 3.500 -22.588 66 HD11 ILE 8 3HD1 ILE 8 -2.910 8.484 -23.385 67 HD12 ILE 8 1HD1 ILE 8 -1.773 7.244 -22.856 68 HD13 ILE 8 2HD1 ILE 8 -2.766 6.977 -24.289 69 H GLU 9 H GLU 9 -6.556 6.446 -20.873 70 HA GLU 9 HA GLU 9 -7.897 5.356 -23.234 71 HB2 GLU 9 2HB GLU 9 -8.831 5.136 -20.457 72 HB3 GLU 9 3HB GLU 9 -10.027 5.792 -21.567 73 HG2 GLU 9 2HG GLU 9 -8.532 3.268 -22.178 74 HG3 GLU 9 3HG GLU 9 -9.995 3.270 -21.194 75 H VAL 10 H VAL 10 -8.573 6.933 -24.524 76 HA VAL 10 HA VAL 10 -8.403 9.678 -23.671 77 HB VAL 10 HB VAL 10 -7.663 9.123 -25.906 78 HG11 VAL 10 1HG1 VAL 10 -10.191 8.669 -27.194 79 HG12 VAL 10 2HG1 VAL 10 -8.726 7.685 -27.224 80 HG13 VAL 10 3HG1 VAL 10 -9.916 7.458 -25.942 81 HG21 VAL 10 3HG2 VAL 10 -9.175 11.260 -25.265 82 HG22 VAL 10 1HG2 VAL 10 -8.427 11.028 -26.845 83 HG23 VAL 10 2HG2 VAL 10 -10.120 10.599 -26.599 84 H SER 11 H SER 11 -9.995 10.837 -22.828 85 HA SER 11 HA SER 11 -12.768 10.208 -23.546 86 HB2 SER 11 2HB SER 11 -11.594 10.288 -20.785 87 HB3 SER 11 3HB SER 11 -13.279 10.744 -21.037 88 HG SER 11 HG SER 11 -13.622 8.674 -20.946 89 H GLN 12 H GLN 12 -10.709 12.358 -24.106 90 HA GLN 12 HA GLN 12 -11.960 14.703 -22.911 91 HB2 GLN 12 2HB GLN 12 -10.162 15.942 -24.146 92 HB3 GLN 12 3HB GLN 12 -9.572 14.775 -22.969 93 HG2 GLN 12 2HG GLN 12 -9.873 13.607 -25.602 94 HG3 GLN 12 3HG GLN 12 -8.792 15.000 -25.607 95 HE21 GLN 12 1HE2 GLN 12 -7.113 13.495 -26.125 96 HE22 GLN 12 2HE2 GLN 12 -6.368 12.563 -24.875 97 H GLU 13 H GLU 13 -13.380 15.981 -23.921 98 HA GLU 13 HA GLU 13 -13.993 15.378 -26.733 99 HB2 GLU 13 2HB GLU 13 -15.657 16.369 -24.443 100 HB3 GLU 13 3HB GLU 13 -16.158 16.685 -26.098 101 HG2 GLU 13 2HG GLU 13 -15.813 14.119 -26.393 102 HG3 GLU 13 3HG GLU 13 -15.971 14.096 -24.637 103 HA PRO 14 HA PRO 14 -12.684 19.354 -28.055 104 HB2 PRO 14 2HB PRO 14 -14.400 19.799 -30.110 105 HB3 PRO 14 3HB PRO 14 -13.076 18.631 -30.200 106 HG2 PRO 14 2HG PRO 14 -15.982 18.163 -29.650 107 HG3 PRO 14 3HG PRO 14 -14.877 17.242 -30.687 108 HD2 PRO 14 2HD PRO 14 -15.552 16.430 -28.193 109 HD3 PRO 14 3HD PRO 14 -13.961 16.097 -28.908 110 H LYS 15 H LYS 15 -13.017 21.343 -27.291 111 HA LYS 15 HA LYS 15 -15.464 22.726 -27.391 112 HB2 LYS 15 2HB LYS 15 -16.148 21.204 -25.613 113 HB3 LYS 15 3HB LYS 15 -14.720 21.622 -24.676 114 HG2 LYS 15 2HG LYS 15 -15.721 23.393 -23.794 115 HG3 LYS 15 3HG LYS 15 -16.234 23.977 -25.379 116 HD2 LYS 15 2HD LYS 15 -17.725 21.642 -24.442 117 HD3 LYS 15 3HD LYS 15 -17.899 23.059 -23.405 118 HE2 LYS 15 2HE LYS 15 -18.167 23.348 -26.366 119 HE3 LYS 15 3HE LYS 15 -19.511 22.698 -25.429 120 HZ1 LYS 15 3HZ LYS 15 -18.444 25.398 -25.511 121 HZ2 LYS 15 1HZ LYS 15 -18.906 24.838 -23.983 122 HZ3 LYS 15 2HZ LYS 15 -20.028 24.867 -25.248 123 H LYS 16 H LYS 16 -13.135 22.689 -24.714 124 HA LYS 16 HA LYS 16 -11.793 24.336 -23.880 125 HB2 LYS 16 2HB LYS 16 -11.167 25.010 -26.746 126 HB3 LYS 16 3HB LYS 16 -10.104 25.092 -25.347 127 HG2 LYS 16 2HG LYS 16 -10.973 22.413 -25.589 128 HG3 LYS 16 3HG LYS 16 -10.472 22.960 -27.190 129 HD2 LYS 16 2HD LYS 16 -8.553 22.042 -26.105 130 HD3 LYS 16 3HD LYS 16 -8.353 23.795 -26.148 131 HE2 LYS 16 2HE LYS 16 -9.547 23.601 -23.784 132 HE3 LYS 16 3HE LYS 16 -8.844 21.985 -23.844 133 HZ1 LYS 16 3HZ LYS 16 -7.340 23.508 -22.769 134 HZ2 LYS 16 1HZ LYS 16 -7.366 24.548 -24.103 135 HZ3 LYS 16 2HZ LYS 16 -6.673 23.011 -24.242 136 H ASP 17 H ASP 17 -13.986 25.393 -23.408 137 HA ASP 17 HA ASP 17 -14.202 27.962 -24.830 138 HB2 ASP 17 2HB ASP 17 -16.494 28.083 -24.028 139 HB3 ASP 17 3HB ASP 17 -16.236 26.550 -24.855 140 H TYR 18 H TYR 18 -13.466 29.697 -23.815 141 HA TYR 18 HA TYR 18 -13.341 29.656 -20.870 142 HB2 TYR 18 2HB TYR 18 -11.519 31.323 -22.587 143 HB3 TYR 18 3HB TYR 18 -11.305 30.828 -20.912 144 HD1 TYR 18 HD2 TYR 18 -11.943 27.897 -21.236 145 HD2 TYR 18 HD1 TYR 18 -9.517 30.525 -23.542 146 HE1 TYR 18 HE2 TYR 18 -10.581 25.986 -21.972 147 HE2 TYR 18 HE1 TYR 18 -8.150 28.620 -24.285 148 HH TYR 18 HH TYR 18 -8.036 26.361 -24.380 149 H LEU 19 H LEU 19 -13.680 31.658 -19.778 150 HA LEU 19 HA LEU 19 -15.598 33.357 -21.157 151 HB2 LEU 19 2HB LEU 19 -15.937 32.377 -18.837 152 HB3 LEU 19 3HB LEU 19 -14.744 33.550 -18.281 153 HG LEU 19 HG LEU 19 -17.200 34.448 -19.746 154 HD11 LEU 19 1HD1 LEU 19 -18.450 34.577 -17.753 155 HD12 LEU 19 2HD1 LEU 19 -17.059 34.147 -16.759 156 HD13 LEU 19 3HD1 LEU 19 -17.801 32.938 -17.806 157 HD21 LEU 19 3HD2 LEU 19 -15.042 35.653 -18.127 158 HD22 LEU 19 1HD2 LEU 19 -16.663 36.310 -17.895 159 HD23 LEU 19 2HD2 LEU 19 -15.935 36.306 -19.502 160 H VAL 20 H VAL 20 -15.253 35.421 -21.744 161 HA VAL 20 HA VAL 20 -12.740 36.462 -22.154 162 HB VAL 20 HB VAL 20 -15.290 38.023 -21.722 163 HG11 VAL 20 1HG1 VAL 20 -12.603 38.798 -22.812 164 HG12 VAL 20 2HG1 VAL 20 -14.072 39.670 -23.255 165 HG13 VAL 20 3HG1 VAL 20 -13.564 39.596 -21.568 166 HG21 VAL 20 3HG2 VAL 20 -14.235 37.596 -24.435 167 HG22 VAL 20 1HG2 VAL 20 -14.850 36.153 -23.628 168 HG23 VAL 20 2HG2 VAL 20 -15.896 37.557 -23.842 169 H GLY 21 H GLY 21 -11.221 37.325 -20.897 170 HA2 GLY 21 2HA GLY 21 -10.417 38.767 -19.205 171 HA3 GLY 21 3HA GLY 21 -11.993 38.695 -18.429 172 H ASP 22 H ASP 22 -11.916 35.682 -18.803 173 HA ASP 22 HA ASP 22 -10.358 35.151 -16.378 174 HB2 ASP 22 2HB ASP 22 -12.940 34.471 -17.038 175 HB3 ASP 22 3HB ASP 22 -12.059 32.987 -17.391 176 H SER 23 H SER 23 -11.110 33.523 -19.464 177 HA SER 23 HA SER 23 -9.857 32.200 -20.827 178 HB2 SER 23 2HB SER 23 -7.301 32.937 -19.482 179 HB3 SER 23 3HB SER 23 -7.672 32.809 -21.201 180 HG SER 23 HG SER 23 -8.682 34.785 -21.119 181 H LEU 24 H LEU 24 -8.810 30.163 -20.872 182 HA LEU 24 HA LEU 24 -8.351 28.076 -20.098 183 HB2 LEU 24 2HB LEU 24 -7.353 29.681 -17.755 184 HB3 LEU 24 3HB LEU 24 -7.140 27.938 -17.906 185 HG LEU 24 HG LEU 24 -5.948 28.501 -20.126 186 HD11 LEU 24 1HD1 LEU 24 -6.176 30.693 -20.617 187 HD12 LEU 24 2HD1 LEU 24 -4.752 30.838 -19.588 188 HD13 LEU 24 3HD1 LEU 24 -6.353 31.169 -18.927 189 HD21 LEU 24 3HD2 LEU 24 -4.249 29.515 -17.969 190 HD22 LEU 24 1HD2 LEU 24 -4.042 28.111 -19.016 191 HD23 LEU 24 2HD2 LEU 24 -5.075 28.003 -17.590 192 H ASP 25 H ASP 25 -10.175 26.951 -19.820 193 HA ASP 25 HA ASP 25 -11.231 26.570 -17.203 194 HB2 ASP 25 2HB ASP 25 -12.349 28.718 -18.589 195 HB3 ASP 25 3HB ASP 25 -13.503 27.405 -18.808 196 H LEU 26 H LEU 26 -10.161 25.083 -19.507 197 HA LEU 26 HA LEU 26 -12.129 23.675 -20.896 198 HB2 LEU 26 2HB LEU 26 -9.856 23.532 -21.590 199 HB3 LEU 26 3HB LEU 26 -9.358 22.888 -20.027 200 HG LEU 26 HG LEU 26 -10.810 20.862 -20.599 201 HD11 LEU 26 1HD1 LEU 26 -10.638 20.741 -23.294 202 HD12 LEU 26 2HD1 LEU 26 -11.022 22.446 -23.064 203 HD13 LEU 26 3HD1 LEU 26 -12.092 21.206 -22.411 204 HD21 LEU 26 3HD2 LEU 26 -8.138 21.591 -21.352 205 HD22 LEU 26 1HD2 LEU 26 -8.822 20.476 -22.536 206 HD23 LEU 26 2HD2 LEU 26 -8.766 20.027 -20.831 207 H SER 27 H SER 27 -13.667 22.361 -20.200 208 HA SER 27 HA SER 27 -13.180 20.786 -17.758 209 HB2 SER 27 2HB SER 27 -15.120 22.798 -18.119 210 HB3 SER 27 3HB SER 27 -15.993 21.266 -18.177 211 HG SER 27 HG SER 27 -14.299 22.221 -16.115 212 H GLU 28 H GLU 28 -13.713 20.682 -21.012 213 HA GLU 28 HA GLU 28 -15.178 18.138 -20.904 214 HB2 GLU 28 2HB GLU 28 -14.590 19.918 -23.276 215 HB3 GLU 28 3HB GLU 28 -15.550 18.446 -23.312 216 HG2 GLU 28 2HG GLU 28 -17.136 20.130 -23.253 217 HG3 GLU 28 3HG GLU 28 -17.034 19.603 -21.574 218 H GLY 29 H GLY 29 -12.083 19.486 -21.406 219 HA2 GLY 29 2HA GLY 29 -11.099 17.222 -22.954 220 HA3 GLY 29 3HA GLY 29 -10.172 18.633 -22.466 221 H ARG 30 H ARG 30 -11.810 15.810 -21.038 222 HA ARG 30 HA ARG 30 -9.650 15.691 -19.041 223 HB2 ARG 30 2HB ARG 30 -11.148 14.685 -17.522 224 HB3 ARG 30 3HB ARG 30 -12.058 15.994 -18.265 225 HG2 ARG 30 2HG ARG 30 -12.650 13.911 -19.914 226 HG3 ARG 30 3HG ARG 30 -12.501 13.107 -18.350 227 HD2 ARG 30 2HD ARG 30 -14.072 14.757 -17.394 228 HD3 ARG 30 3HD ARG 30 -14.264 15.467 -18.996 229 HE ARG 30 HE ARG 30 -15.429 13.015 -18.028 230 HH11 ARG 30 1HH1 ARG 30 -14.509 14.862 -20.832 231 HH12 ARG 30 2HH1 ARG 30 -15.622 14.059 -21.888 232 HH21 ARG 30 1HH2 ARG 30 -16.900 11.950 -19.409 233 HH22 ARG 30 2HH2 ARG 30 -16.983 12.403 -21.077 234 H PHE 31 H PHE 31 -8.672 13.706 -18.572 235 HA PHE 31 HA PHE 31 -9.169 11.569 -20.538 236 HB2 PHE 31 2HB PHE 31 -6.645 11.086 -20.194 237 HB3 PHE 31 3HB PHE 31 -7.111 12.426 -21.237 238 HD1 PHE 31 HD2 PHE 31 -6.839 14.737 -20.485 239 HD2 PHE 31 HD1 PHE 31 -5.522 11.454 -18.119 240 HE1 PHE 31 HE2 PHE 31 -5.469 16.268 -19.131 241 HE2 PHE 31 HE1 PHE 31 -4.150 12.979 -16.760 242 HZ PHE 31 HZ PHE 31 -4.121 15.389 -17.266 243 H ALA 32 H ALA 32 -8.893 9.432 -19.832 244 HA ALA 32 HA ALA 32 -9.002 9.124 -16.908 245 HB1 ALA 32 1HB ALA 32 -9.885 6.963 -18.757 246 HB2 ALA 32 2HB ALA 32 -10.480 7.389 -17.152 247 HB3 ALA 32 3HB ALA 32 -10.914 8.380 -18.545 248 H VAL 33 H VAL 33 -7.527 7.920 -15.867 249 HA VAL 33 HA VAL 33 -5.607 6.389 -17.501 250 HB VAL 33 HB VAL 33 -4.649 8.463 -16.480 251 HG11 VAL 33 1HG1 VAL 33 -4.785 8.937 -14.296 252 HG12 VAL 33 2HG1 VAL 33 -6.086 7.744 -14.264 253 HG13 VAL 33 3HG1 VAL 33 -4.445 7.274 -13.818 254 HG21 VAL 33 3HG2 VAL 33 -2.980 6.692 -15.059 255 HG22 VAL 33 1HG2 VAL 33 -3.633 5.790 -16.427 256 HG23 VAL 33 2HG2 VAL 33 -2.767 7.303 -16.700 257 H ALA 34 H ALA 34 -5.062 4.362 -16.840 258 HA ALA 34 HA ALA 34 -6.608 3.276 -14.590 259 HB1 ALA 34 1HB ALA 34 -5.280 1.811 -16.868 260 HB2 ALA 34 2HB ALA 34 -6.306 1.098 -15.622 261 HB3 ALA 34 3HB ALA 34 -6.989 2.239 -16.781 262 H TYR 35 H TYR 35 -5.571 2.909 -12.753 263 HA TYR 35 HA TYR 35 -2.700 2.982 -12.617 264 HB2 TYR 35 2HB TYR 35 -4.889 2.668 -10.578 265 HB3 TYR 35 3HB TYR 35 -3.199 2.453 -10.139 266 HD1 TYR 35 HD2 TYR 35 -1.623 4.367 -10.334 267 HD2 TYR 35 HD1 TYR 35 -5.809 4.837 -10.934 268 HE1 TYR 35 HE2 TYR 35 -1.385 6.798 -10.045 269 HE2 TYR 35 HE1 TYR 35 -5.583 7.270 -10.648 270 HH TYR 35 HH TYR 35 -3.665 8.988 -10.954 271 H SER 36 H SER 36 -1.336 1.324 -11.854 272 HA SER 36 HA SER 36 -1.900 -1.244 -12.885 273 HB2 SER 36 2HB SER 36 0.231 -1.013 -10.840 274 HB3 SER 36 3HB SER 36 0.293 -1.702 -12.462 275 HG SER 36 HG SER 36 0.970 0.784 -11.618 276 H ASN 37 H ASN 37 -2.740 0.233 -9.956 277 HA ASN 37 HA ASN 37 -2.993 -2.298 -8.518 278 HB2 ASN 37 2HB ASN 37 -2.200 0.072 -7.584 279 HB3 ASN 37 3HB ASN 37 -3.932 0.269 -7.334 280 HD21 ASN 37 1HD2 ASN 37 -1.418 -0.268 -5.618 281 HD22 ASN 37 2HD2 ASN 37 -1.952 -1.497 -4.528 282 H ASP 38 H ASP 38 -4.660 -1.481 -10.875 283 HA ASP 38 HA ASP 38 -6.812 -1.720 -11.571 284 HB2 ASP 38 2HB ASP 38 -6.576 -3.706 -9.916 285 HB3 ASP 38 3HB ASP 38 -7.569 -2.724 -8.841 286 H THR 39 H THR 39 -6.603 0.721 -11.375 287 HA THR 39 HA THR 39 -8.938 1.694 -9.941 288 HB THR 39 HB THR 39 -6.834 3.632 -9.580 289 HG1 THR 39 HG1 THR 39 -5.730 2.324 -7.929 290 HG21 THR 39 3HG2 THR 39 -8.915 3.686 -8.353 291 HG22 THR 39 1HG2 THR 39 -7.583 3.465 -7.219 292 HG23 THR 39 2HG2 THR 39 -8.594 2.092 -7.670 293 H MET 40 H MET 40 -9.584 3.859 -10.627 294 HA MET 40 HA MET 40 -8.393 4.727 -13.164 295 HB2 MET 40 2HB MET 40 -10.416 3.273 -13.558 296 HB3 MET 40 3HB MET 40 -11.374 4.502 -12.743 297 HG2 MET 40 2HG MET 40 -10.538 6.140 -14.449 298 HG3 MET 40 3HG MET 40 -9.847 4.770 -15.315 299 HE1 MET 40 3HE MET 40 -12.551 3.293 -17.267 300 HE2 MET 40 1HE MET 40 -11.354 4.532 -17.645 301 HE3 MET 40 2HE MET 40 -10.918 3.173 -16.609 302 H GLU 41 H GLU 41 -8.284 6.898 -13.433 303 HA GLU 41 HA GLU 41 -9.733 8.601 -11.526 304 HB2 GLU 41 2HB GLU 41 -6.804 8.404 -11.973 305 HB3 GLU 41 3HB GLU 41 -7.469 10.018 -11.769 306 HG2 GLU 41 2HG GLU 41 -8.623 8.966 -9.679 307 HG3 GLU 41 3HG GLU 41 -7.345 7.761 -9.830 308 H GLU 42 H GLU 42 -10.636 10.382 -12.386 309 HA GLU 42 HA GLU 42 -9.960 11.030 -15.181 310 HB2 GLU 42 2HB GLU 42 -12.532 10.544 -13.866 311 HB3 GLU 42 3HB GLU 42 -12.495 12.032 -14.802 312 HG2 GLU 42 2HG GLU 42 -12.709 10.907 -16.690 313 HG3 GLU 42 3HG GLU 42 -11.296 9.923 -16.315 314 H HIS 43 H HIS 43 -9.564 13.119 -15.703 315 HA HIS 43 HA HIS 43 -10.258 15.271 -13.899 316 HB2 HIS 43 2HB HIS 43 -7.586 14.105 -13.950 317 HB3 HIS 43 3HB HIS 43 -7.573 15.828 -14.314 318 HD1 HIS 43 HD1 HIS 43 -9.822 16.737 -12.394 319 HD2 HIS 43 HD2 HIS 43 -6.742 14.149 -11.357 320 HE1 HIS 43 HE1 HIS 43 -9.614 16.908 -9.894 321 H SER 44 H SER 44 -10.370 17.238 -14.908 322 HA SER 44 HA SER 44 -9.733 17.241 -17.786 323 HB2 SER 44 2HB SER 44 -11.662 18.439 -18.230 324 HB3 SER 44 3HB SER 44 -12.198 17.460 -16.865 325 HG SER 44 HG SER 44 -12.462 19.219 -15.760 326 H PHE 45 H PHE 45 -8.185 18.579 -18.415 327 HA PHE 45 HA PHE 45 -6.483 20.109 -18.229 328 HB2 PHE 45 2HB PHE 45 -8.617 21.351 -18.994 329 HB3 PHE 45 3HB PHE 45 -8.638 22.023 -17.367 330 HD1 PHE 45 HD1 PHE 45 -5.992 21.400 -19.929 331 HD2 PHE 45 HD2 PHE 45 -7.867 24.174 -17.301 332 HE1 PHE 45 HE1 PHE 45 -4.399 23.137 -20.632 333 HE2 PHE 45 HE2 PHE 45 -6.277 25.916 -18.001 334 HZ PHE 45 HZ PHE 45 -4.540 25.400 -19.669 335 H THR 46 H THR 46 -5.800 18.873 -16.230 336 HA THR 46 HA THR 46 -5.078 20.723 -14.205 337 HB THR 46 HB THR 46 -7.336 20.387 -13.390 338 HG1 THR 46 HG1 THR 46 -6.765 19.830 -11.318 339 HG21 THR 46 3HG2 THR 46 -7.503 18.073 -14.509 340 HG22 THR 46 1HG2 THR 46 -8.319 18.307 -12.963 341 HG23 THR 46 2HG2 THR 46 -6.774 17.460 -13.025 342 H ASP 47 H ASP 47 -5.460 17.349 -15.148 343 HA ASP 47 HA ASP 47 -3.323 16.435 -13.448 344 HB2 ASP 47 2HB ASP 47 -5.380 15.236 -15.074 345 HB3 ASP 47 3HB ASP 47 -3.820 14.503 -15.436 346 H GLU 48 H GLU 48 -1.261 15.831 -14.047 347 HA GLU 48 HA GLU 48 -0.105 17.280 -16.210 348 HB2 GLU 48 2HB GLU 48 1.225 15.066 -14.655 349 HB3 GLU 48 3HB GLU 48 1.989 16.424 -15.469 350 HG2 GLU 48 2HG GLU 48 2.042 17.394 -13.474 351 HG3 GLU 48 3HG GLU 48 0.312 17.659 -13.686 352 H GLY 49 H GLY 49 1.787 15.645 -17.309 353 HA2 GLY 49 2HA GLY 49 2.135 13.811 -18.717 354 HA3 GLY 49 3HA GLY 49 0.482 13.297 -18.418 355 H VAL 50 H VAL 50 -1.066 15.306 -19.203 356 HA VAL 50 HA VAL 50 -0.732 15.274 -22.070 357 HB VAL 50 HB VAL 50 -2.890 16.554 -20.386 358 HG11 VAL 50 1HG1 VAL 50 -3.909 15.982 -22.897 359 HG12 VAL 50 2HG1 VAL 50 -3.472 17.576 -22.279 360 HG13 VAL 50 3HG1 VAL 50 -2.308 16.645 -23.224 361 HG21 VAL 50 3HG2 VAL 50 -2.654 13.859 -21.694 362 HG22 VAL 50 1HG2 VAL 50 -3.025 14.238 -20.011 363 HG23 VAL 50 2HG2 VAL 50 -4.214 14.563 -21.272 364 H GLU 51 H GLU 51 0.209 16.804 -23.242 365 HA GLU 51 HA GLU 51 0.401 19.521 -22.121 366 HB2 GLU 51 2HB GLU 51 2.510 18.004 -23.665 367 HB3 GLU 51 3HB GLU 51 2.610 19.713 -23.264 368 HG2 GLU 51 2HG GLU 51 3.319 19.292 -21.203 369 HG3 GLU 51 3HG GLU 51 2.076 18.071 -20.937 370 H ILE 52 H ILE 52 -0.544 21.000 -23.347 371 HA ILE 52 HA ILE 52 -1.026 20.382 -26.181 372 HB ILE 52 HB ILE 52 -2.498 22.112 -24.217 373 HG12 ILE 52 2HG1 ILE 52 -4.435 20.812 -25.227 374 HG13 ILE 52 3HG1 ILE 52 -3.231 19.830 -26.054 375 HG21 ILE 52 1HG2 ILE 52 -3.906 22.826 -26.190 376 HG22 ILE 52 2HG2 ILE 52 -2.308 23.561 -26.072 377 HG23 ILE 52 3HG2 ILE 52 -2.594 22.252 -27.219 378 HD11 ILE 52 3HD1 ILE 52 -4.216 18.987 -23.840 379 HD12 ILE 52 1HD1 ILE 52 -2.473 18.882 -24.083 380 HD13 ILE 52 2HD1 ILE 52 -3.148 20.171 -23.087 381 H SER 53 H SER 53 -0.379 21.746 -27.780 382 HA SER 53 HA SER 53 1.018 24.211 -26.985 383 HB2 SER 53 2HB SER 53 2.151 21.863 -28.225 384 HB3 SER 53 3HB SER 53 2.309 23.255 -29.296 385 HG SER 53 HG SER 53 3.530 24.272 -27.827 386 H GLY 54 H GLY 54 1.200 25.815 -28.694 387 HA2 GLY 54 2HA GLY 54 0.575 26.681 -30.828 388 HA3 GLY 54 3HA GLY 54 -0.679 25.454 -30.924 389 H TYR 55 H TYR 55 -1.342 26.147 -28.019 390 HA TYR 55 HA TYR 55 -3.260 28.222 -28.698 391 HB2 TYR 55 2HB TYR 55 -4.508 26.864 -27.416 392 HB3 TYR 55 3HB TYR 55 -3.091 26.061 -26.749 393 HD1 TYR 55 HD2 TYR 55 -5.390 28.916 -26.343 394 HD2 TYR 55 HD1 TYR 55 -2.219 26.670 -24.610 395 HE1 TYR 55 HE2 TYR 55 -5.769 30.050 -24.193 396 HE2 TYR 55 HE1 TYR 55 -2.590 27.797 -22.456 397 HH TYR 55 HH TYR 55 -3.606 29.600 -21.472 398 H ASP 56 H ASP 56 -3.291 30.255 -27.895 399 HA ASP 56 HA ASP 56 -1.056 31.025 -26.135 400 HB2 ASP 56 2HB ASP 56 -1.994 32.117 -28.652 401 HB3 ASP 56 3HB ASP 56 -1.993 33.344 -27.387 402 H ALA 57 H ALA 57 -1.740 31.392 -24.137 403 HA ALA 57 HA ALA 57 -4.395 31.801 -23.363 404 HB1 ALA 57 1HB ALA 57 -2.433 32.960 -21.539 405 HB2 ALA 57 2HB ALA 57 -3.584 31.648 -21.285 406 HB3 ALA 57 3HB ALA 57 -2.034 31.323 -22.059 407 H GLN 58 H GLN 58 -2.106 33.985 -24.670 408 HA GLN 58 HA GLN 58 -3.054 36.398 -23.537 409 HB2 GLN 58 2HB GLN 58 -0.868 35.913 -24.860 410 HB3 GLN 58 3HB GLN 58 -1.850 36.244 -26.281 411 HG2 GLN 58 2HG GLN 58 -1.414 38.391 -26.004 412 HG3 GLN 58 3HG GLN 58 -2.369 38.346 -24.523 413 HE21 GLN 58 1HE2 GLN 58 -1.341 38.286 -22.550 414 HE22 GLN 58 2HE2 GLN 58 0.352 38.576 -22.367 415 H LYS 59 H LYS 59 -3.455 35.285 -26.902 416 HA LYS 59 HA LYS 59 -6.026 36.712 -26.971 417 HB2 LYS 59 2HB LYS 59 -3.827 36.473 -28.842 418 HB3 LYS 59 3HB LYS 59 -5.342 35.977 -29.583 419 HG2 LYS 59 2HG LYS 59 -6.166 38.065 -29.608 420 HG3 LYS 59 3HG LYS 59 -5.470 38.472 -28.038 421 HD2 LYS 59 2HD LYS 59 -4.402 39.835 -29.685 422 HD3 LYS 59 3HD LYS 59 -3.237 38.617 -29.159 423 HE2 LYS 59 2HE LYS 59 -4.359 37.320 -31.228 424 HE3 LYS 59 3HE LYS 59 -4.562 38.983 -31.775 425 HZ1 LYS 59 3HZ LYS 59 -2.374 37.603 -32.243 426 HZ2 LYS 59 1HZ LYS 59 -1.941 38.233 -30.734 427 HZ3 LYS 59 2HZ LYS 59 -2.343 39.277 -32.002 428 H THR 60 H THR 60 -7.865 35.716 -27.805 429 HA THR 60 HA THR 60 -7.698 32.860 -28.431 430 HB THR 60 HB THR 60 -9.570 32.313 -26.960 431 HG1 THR 60 HG1 THR 60 -9.341 34.818 -25.688 432 HG21 THR 60 3HG2 THR 60 -7.141 32.281 -26.167 433 HG22 THR 60 1HG2 THR 60 -8.390 32.256 -24.924 434 HG23 THR 60 2HG2 THR 60 -7.533 33.755 -25.282 435 H GLY 61 H GLY 61 -10.244 32.180 -28.780 436 HA2 GLY 61 2HA GLY 61 -12.326 33.146 -29.722 437 HA3 GLY 61 3HA GLY 61 -11.286 34.184 -30.687 438 H ARG 62 H ARG 62 -9.371 32.042 -31.249 439 HA ARG 62 HA ARG 62 -10.619 29.844 -32.481 440 HB2 ARG 62 2HB ARG 62 -11.341 31.934 -33.899 441 HB3 ARG 62 3HB ARG 62 -9.719 31.795 -34.564 442 HG2 ARG 62 2HG ARG 62 -11.343 29.326 -34.478 443 HG3 ARG 62 3HG ARG 62 -11.832 30.574 -35.626 444 HD2 ARG 62 2HD ARG 62 -9.129 30.490 -35.997 445 HD3 ARG 62 3HD ARG 62 -9.498 28.803 -35.640 446 HE ARG 62 HE ARG 62 -10.174 30.251 -38.015 447 HH11 ARG 62 1HH1 ARG 62 -11.119 27.626 -35.933 448 HH12 ARG 62 2HH1 ARG 62 -11.967 26.771 -37.179 449 HH21 ARG 62 1HH2 ARG 62 -11.288 29.135 -39.664 450 HH22 ARG 62 2HH2 ARG 62 -12.062 27.629 -39.301 451 H GLN 63 H GLN 63 -8.626 29.411 -31.078 452 HA GLN 63 HA GLN 63 -6.203 29.492 -32.752 453 HB2 GLN 63 2HB GLN 63 -6.242 29.104 -29.764 454 HB3 GLN 63 3HB GLN 63 -4.872 29.519 -30.786 455 HG2 GLN 63 2HG GLN 63 -7.204 31.264 -30.047 456 HG3 GLN 63 3HG GLN 63 -5.513 31.469 -29.594 457 HE21 GLN 63 1HE2 GLN 63 -4.138 31.231 -31.835 458 HE22 GLN 63 2HE2 GLN 63 -4.613 32.407 -33.008 459 H THR 64 H THR 64 -5.007 27.633 -33.040 460 HA THR 64 HA THR 64 -6.461 25.161 -32.724 461 HB THR 64 HB THR 64 -3.657 25.492 -33.794 462 HG1 THR 64 HG1 THR 64 -4.497 26.236 -35.598 463 HG21 THR 64 3HG2 THR 64 -5.762 23.357 -33.983 464 HG22 THR 64 1HG2 THR 64 -4.083 23.207 -33.470 465 HG23 THR 64 2HG2 THR 64 -4.464 23.480 -35.170 466 H LEU 65 H LEU 65 -5.632 23.271 -31.691 467 HA LEU 65 HA LEU 65 -3.457 23.641 -29.782 468 HB2 LEU 65 2HB LEU 65 -6.245 22.803 -29.001 469 HB3 LEU 65 3HB LEU 65 -4.834 22.692 -27.952 470 HG LEU 65 HG LEU 65 -4.718 25.298 -28.499 471 HD11 LEU 65 1HD1 LEU 65 -7.682 24.880 -28.425 472 HD12 LEU 65 2HD1 LEU 65 -6.813 24.959 -29.958 473 HD13 LEU 65 3HD1 LEU 65 -6.769 26.329 -28.848 474 HD21 LEU 65 3HD2 LEU 65 -6.358 25.494 -26.443 475 HD22 LEU 65 1HD2 LEU 65 -4.751 24.787 -26.272 476 HD23 LEU 65 2HD2 LEU 65 -6.164 23.741 -26.417 477 H THR 66 H THR 66 -2.300 21.821 -29.420 478 HA THR 66 HA THR 66 -3.395 19.267 -30.380 479 HB THR 66 HB THR 66 -0.589 19.248 -30.841 480 HG1 THR 66 HG1 THR 66 -1.905 21.388 -32.188 481 HG21 THR 66 3HG2 THR 66 -3.019 19.183 -32.620 482 HG22 THR 66 1HG2 THR 66 -2.040 17.826 -32.064 483 HG23 THR 66 2HG2 THR 66 -1.380 18.969 -33.233 484 H LEU 67 H LEU 67 -3.447 17.920 -28.712 485 HA LEU 67 HA LEU 67 -1.478 18.208 -26.564 486 HB2 LEU 67 2HB LEU 67 -2.990 17.263 -25.137 487 HB3 LEU 67 3HB LEU 67 -4.074 18.041 -26.290 488 HG LEU 67 HG LEU 67 -4.010 15.665 -27.436 489 HD11 LEU 67 1HD1 LEU 67 -2.546 15.214 -25.047 490 HD12 LEU 67 2HD1 LEU 67 -3.013 14.054 -26.290 491 HD13 LEU 67 3HD1 LEU 67 -4.083 14.357 -24.921 492 HD21 LEU 67 3HD2 LEU 67 -5.895 17.005 -26.237 493 HD22 LEU 67 1HD2 LEU 67 -5.629 15.849 -24.933 494 HD23 LEU 67 2HD2 LEU 67 -6.097 15.278 -26.535 495 H HIS 68 H HIS 68 0.038 16.713 -26.133 496 HA HIS 68 HA HIS 68 -0.037 14.202 -27.674 497 HB2 HIS 68 2HB HIS 68 2.077 16.240 -27.431 498 HB3 HIS 68 3HB HIS 68 2.628 14.580 -27.224 499 HD1 HIS 68 HD1 HIS 68 0.863 16.768 -29.754 500 HD2 HIS 68 HD2 HIS 68 2.899 13.153 -29.544 501 HE1 HIS 68 HE1 HIS 68 1.152 16.021 -32.137 502 H TYR 69 H TYR 69 -0.092 12.443 -26.453 503 HA TYR 69 HA TYR 69 1.263 12.455 -23.854 504 HB2 TYR 69 2HB TYR 69 -1.110 12.950 -23.423 505 HB3 TYR 69 3HB TYR 69 -1.571 11.489 -24.290 506 HD1 TYR 69 HD1 TYR 69 -0.887 9.252 -23.349 507 HD2 TYR 69 HD2 TYR 69 -0.500 12.871 -21.145 508 HE1 TYR 69 HE1 TYR 69 -0.720 7.958 -21.264 509 HE2 TYR 69 HE2 TYR 69 -0.331 11.587 -19.054 510 HH TYR 69 HH TYR 69 -1.048 9.320 -18.224 511 H GLN 70 H GLN 70 2.676 10.849 -23.880 512 HA GLN 70 HA GLN 70 3.638 8.813 -24.200 513 HB2 GLN 70 2HB GLN 70 0.752 8.219 -24.076 514 HB3 GLN 70 3HB GLN 70 1.735 6.986 -24.854 515 HG2 GLN 70 2HG GLN 70 2.626 8.073 -22.235 516 HG3 GLN 70 3HG GLN 70 1.273 6.943 -22.272 517 HE21 GLN 70 1HE2 GLN 70 1.849 5.104 -24.024 518 HE22 GLN 70 2HE2 GLN 70 3.343 4.307 -23.683 519 H GLY 71 H GLY 71 0.992 8.110 -26.415 520 HA2 GLY 71 2HA GLY 71 2.758 8.633 -28.704 521 HA3 GLY 71 3HA GLY 71 2.096 7.017 -28.502 522 H HIS 72 H HIS 72 -0.077 9.294 -27.369 523 HA HIS 72 HA HIS 72 -1.585 9.165 -29.893 524 HB2 HIS 72 2HB HIS 72 -2.318 8.560 -27.207 525 HB3 HIS 72 3HB HIS 72 -3.253 9.960 -27.721 526 HD1 HIS 72 HD1 HIS 72 -4.918 9.615 -29.691 527 HD2 HIS 72 HD2 HIS 72 -2.984 6.156 -28.443 528 HE1 HIS 72 HE1 HIS 72 -6.190 7.717 -30.741 529 H GLU 73 H GLU 73 -2.347 10.994 -30.835 530 HA GLU 73 HA GLU 73 -1.846 13.542 -29.447 531 HB2 GLU 73 2HB GLU 73 -1.164 14.536 -31.579 532 HB3 GLU 73 3HB GLU 73 -0.115 13.197 -31.137 533 HG2 GLU 73 2HG GLU 73 -2.078 12.008 -32.669 534 HG3 GLU 73 3HG GLU 73 -1.795 13.553 -33.470 535 H VAL 74 H VAL 74 -3.444 15.025 -29.533 536 HA VAL 74 HA VAL 74 -5.736 14.470 -31.300 537 HB VAL 74 HB VAL 74 -5.975 15.574 -28.502 538 HG11 VAL 74 1HG1 VAL 74 -8.064 14.468 -30.375 539 HG12 VAL 74 2HG1 VAL 74 -8.341 15.177 -28.783 540 HG13 VAL 74 3HG1 VAL 74 -7.752 16.183 -30.107 541 HG21 VAL 74 3HG2 VAL 74 -5.424 13.445 -27.931 542 HG22 VAL 74 1HG2 VAL 74 -7.129 13.177 -28.292 543 HG23 VAL 74 2HG2 VAL 74 -5.901 12.784 -29.495 544 H SER 75 H SER 75 -6.762 16.224 -32.207 545 HA SER 75 HA SER 75 -5.517 18.850 -31.714 546 HB2 SER 75 2HB SER 75 -4.792 18.637 -33.851 547 HB3 SER 75 3HB SER 75 -5.958 17.368 -34.222 548 HG SER 75 HG SER 75 -6.069 19.825 -35.026 549 H PHE 76 H PHE 76 -6.842 20.628 -31.617 550 HA PHE 76 HA PHE 76 -9.631 20.481 -32.292 551 HB2 PHE 76 2HB PHE 76 -10.067 21.257 -29.749 552 HB3 PHE 76 3HB PHE 76 -10.205 19.584 -30.282 553 HD1 PHE 76 HD2 PHE 76 -8.144 21.999 -28.456 554 HD2 PHE 76 HD1 PHE 76 -8.590 17.933 -29.633 555 HE1 PHE 76 HE2 PHE 76 -6.432 21.341 -26.816 556 HE2 PHE 76 HE1 PHE 76 -6.879 17.268 -27.994 557 HZ PHE 76 HZ PHE 76 -5.797 18.973 -26.584 558 H ASP 77 H ASP 77 -10.767 22.563 -31.524 559 HA ASP 77 HA ASP 77 -8.860 24.798 -31.766 560 HB2 ASP 77 2HB ASP 77 -10.896 26.017 -32.768 561 HB3 ASP 77 3HB ASP 77 -10.085 24.815 -33.769 562 H VAL 78 H VAL 78 -9.364 26.750 -30.658 563 HA VAL 78 HA VAL 78 -11.205 26.377 -28.384 564 HB VAL 78 HB VAL 78 -8.793 26.386 -27.744 565 HG11 VAL 78 1HG1 VAL 78 -8.702 29.319 -28.259 566 HG12 VAL 78 2HG1 VAL 78 -7.382 28.155 -28.118 567 HG13 VAL 78 3HG1 VAL 78 -8.358 28.210 -29.586 568 HG21 VAL 78 3HG2 VAL 78 -10.892 28.131 -26.699 569 HG22 VAL 78 1HG2 VAL 78 -9.845 26.985 -25.860 570 HG23 VAL 78 2HG2 VAL 78 -9.265 28.611 -26.219 571 H LEU 79 H LEU 79 -12.601 28.001 -27.892 572 HA LEU 79 HA LEU 79 -12.359 30.551 -29.307 573 HB2 LEU 79 2HB LEU 79 -14.884 28.907 -29.261 574 HB3 LEU 79 3HB LEU 79 -14.695 30.507 -29.975 575 HG LEU 79 HG LEU 79 -12.872 29.269 -31.427 576 HD11 LEU 79 1HD1 LEU 79 -12.793 27.067 -31.219 577 HD12 LEU 79 2HD1 LEU 79 -14.495 26.961 -31.665 578 HD13 LEU 79 3HD1 LEU 79 -14.037 27.127 -29.970 579 HD21 LEU 79 3HD2 LEU 79 -15.856 29.172 -31.810 580 HD22 LEU 79 1HD2 LEU 79 -14.701 28.729 -33.067 581 HD23 LEU 79 2HD2 LEU 79 -14.720 30.372 -32.427 582 H VAL 80 H VAL 80 -12.943 32.274 -28.111 583 HA VAL 80 HA VAL 80 -13.957 31.740 -25.410 584 HB VAL 80 HB VAL 80 -11.816 33.007 -25.671 585 HG11 VAL 80 1HG1 VAL 80 -13.610 35.173 -26.761 586 HG12 VAL 80 2HG1 VAL 80 -11.888 35.321 -26.406 587 HG13 VAL 80 3HG1 VAL 80 -12.435 34.251 -27.697 588 HG21 VAL 80 3HG2 VAL 80 -14.196 34.131 -24.255 589 HG22 VAL 80 1HG2 VAL 80 -12.779 33.314 -23.594 590 HG23 VAL 80 2HG2 VAL 80 -12.649 34.973 -24.179 591 H SER 81 H SER 81 -15.835 32.579 -24.663 592 HA SER 81 HA SER 81 -17.423 34.185 -26.558 593 HB2 SER 81 2HB SER 81 -18.117 31.856 -24.851 594 HB3 SER 81 3HB SER 81 -19.331 33.129 -24.981 595 HG SER 81 HG SER 81 -18.186 31.571 -27.044 596 HA PRO 82 HA PRO 82 -17.870 37.380 -23.587 597 HB2 PRO 82 2HB PRO 82 -20.444 38.159 -23.958 598 HB3 PRO 82 3HB PRO 82 -19.161 38.496 -25.126 599 HG2 PRO 82 2HG PRO 82 -21.228 36.331 -25.156 600 HG3 PRO 82 3HG PRO 82 -20.659 37.353 -26.489 601 HD2 PRO 82 2HD PRO 82 -19.798 34.811 -26.132 602 HD3 PRO 82 3HD PRO 82 -18.767 36.079 -26.823 603 H LYS 83 H LYS 83 -17.832 36.889 -21.479 604 HA LYS 83 HA LYS 83 -18.447 36.135 -19.418 605 HB2 LYS 83 2HB LYS 83 -20.386 37.868 -20.329 606 HB3 LYS 83 3HB LYS 83 -21.327 36.469 -19.830 607 HG2 LYS 83 2HG LYS 83 -20.145 36.572 -17.626 608 HG3 LYS 83 3HG LYS 83 -19.441 38.103 -18.150 609 HD2 LYS 83 2HD LYS 83 -22.293 38.083 -18.580 610 HD3 LYS 83 3HD LYS 83 -21.910 37.712 -16.897 611 HE2 LYS 83 2HE LYS 83 -20.263 39.747 -17.177 612 HE3 LYS 83 3HE LYS 83 -21.372 40.182 -18.476 613 HZ1 LYS 83 3HZ LYS 83 -21.691 40.721 -15.808 614 HZ2 LYS 83 1HZ LYS 83 -22.770 39.452 -16.105 615 HZ3 LYS 83 2HZ LYS 83 -22.869 40.876 -17.012 616 H ALA 84 H ALA 84 -20.594 34.815 -18.394 617 HA ALA 84 HA ALA 84 -21.528 32.659 -19.972 618 HB1 ALA 84 1HB ALA 84 -18.918 32.296 -19.376 619 HB2 ALA 84 2HB ALA 84 -19.680 31.517 -17.989 620 HB3 ALA 84 3HB ALA 84 -20.068 30.982 -19.623 621 H ALA 85 H ALA 85 -22.752 34.437 -18.245 622 HA ALA 85 HA ALA 85 -24.114 32.634 -16.489 623 HB1 ALA 85 1HB ALA 85 -23.287 33.158 -14.478 624 HB2 ALA 85 2HB ALA 85 -21.888 33.758 -15.370 625 HB3 ALA 85 3HB ALA 85 -23.160 34.873 -14.871 626 H LEU 86 H LEU 86 -25.882 33.764 -15.280 627 HA LEU 86 HA LEU 86 -26.702 36.264 -16.591 628 HB2 LEU 86 2HB LEU 86 -29.025 35.392 -16.651 629 HB3 LEU 86 3HB LEU 86 -27.909 34.549 -17.724 630 HG LEU 86 HG LEU 86 -27.808 32.974 -15.508 631 HD11 LEU 86 1HD1 LEU 86 -29.717 32.923 -14.318 632 HD12 LEU 86 2HD1 LEU 86 -30.722 33.338 -15.705 633 HD13 LEU 86 3HD1 LEU 86 -29.849 34.603 -14.840 634 HD21 LEU 86 3HD2 LEU 86 -29.507 32.888 -17.977 635 HD22 LEU 86 1HD2 LEU 86 -29.545 31.584 -16.790 636 HD23 LEU 86 2HD2 LEU 86 -28.035 31.988 -17.608 637 H ASN 87 H ASN 87 -27.340 34.011 -13.919 638 HA ASN 87 HA ASN 87 -28.471 36.189 -12.336 639 HB2 ASN 87 2HB ASN 87 -28.873 33.361 -12.455 640 HB3 ASN 87 3HB ASN 87 -28.332 33.779 -10.832 641 HD21 ASN 87 1HD2 ASN 87 -30.292 33.366 -9.880 642 HD22 ASN 87 2HD2 ASN 87 -31.683 34.363 -10.121 643 H ASP 88 H ASP 88 -27.401 37.204 -10.761 644 HA ASP 88 HA ASP 88 -24.618 36.749 -10.382 645 HB2 ASP 88 2HB ASP 88 -26.403 38.427 -8.618 646 HB3 ASP 88 3HB ASP 88 -24.673 38.612 -8.890 647 H GLU 89 H GLU 89 -23.955 36.926 -7.837 648 HA GLU 89 HA GLU 89 -25.396 34.854 -6.353 649 HB2 GLU 89 2HB GLU 89 -23.342 33.652 -5.840 650 HB3 GLU 89 3HB GLU 89 -23.599 33.708 -7.578 651 HG2 GLU 89 2HG GLU 89 -21.977 35.515 -7.770 652 HG3 GLU 89 3HG GLU 89 -21.727 35.482 -6.026 Start of MODEL 7 1 H SER 1 H SER 1 4.123 2.839 -1.490 2 HA SER 1 HA SER 1 3.628 0.628 -3.307 3 HB2 SER 1 2HB SER 1 1.286 0.344 -2.535 4 HB3 SER 1 3HB SER 1 2.460 -0.119 -1.303 5 HG SER 1 HG SER 1 1.120 2.381 -1.446 6 HA PRO 2 HA PRO 2 2.589 4.893 -4.885 7 HB2 PRO 2 2HB PRO 2 4.098 4.700 -7.133 8 HB3 PRO 2 3HB PRO 2 4.742 5.275 -5.590 9 HG2 PRO 2 2HG PRO 2 4.954 2.562 -6.838 10 HG3 PRO 2 3HG PRO 2 6.199 3.510 -6.005 11 HD2 PRO 2 2HD PRO 2 4.864 1.484 -4.803 12 HD3 PRO 2 3HD PRO 2 5.435 2.911 -3.915 13 H LYS 3 H LYS 3 0.956 5.268 -6.288 14 HA LYS 3 HA LYS 3 -0.091 2.975 -7.773 15 HB2 LYS 3 2HB LYS 3 -1.632 4.128 -6.258 16 HB3 LYS 3 3HB LYS 3 -1.357 5.641 -7.112 17 HG2 LYS 3 2HG LYS 3 -2.176 4.232 -9.180 18 HG3 LYS 3 3HG LYS 3 -2.945 3.264 -7.920 19 HD2 LYS 3 2HD LYS 3 -4.613 4.745 -7.965 20 HD3 LYS 3 3HD LYS 3 -3.503 5.883 -7.198 21 HE2 LYS 3 2HE LYS 3 -2.722 6.340 -9.640 22 HE3 LYS 3 3HE LYS 3 -4.275 5.629 -10.077 23 HZ1 LYS 3 3HZ LYS 3 -4.758 7.462 -8.047 24 HZ2 LYS 3 1HZ LYS 3 -5.202 7.582 -9.675 25 HZ3 LYS 3 2HZ LYS 3 -3.732 8.231 -9.150 26 H THR 4 H THR 4 0.878 2.838 -9.716 27 HA THR 4 HA THR 4 0.848 5.250 -11.413 28 HB THR 4 HB THR 4 2.738 3.560 -12.546 29 HG1 THR 4 HG1 THR 4 4.122 3.058 -10.795 30 HG21 THR 4 3HG2 THR 4 2.748 6.101 -11.022 31 HG22 THR 4 1HG2 THR 4 3.330 5.754 -12.650 32 HG23 THR 4 2HG2 THR 4 4.304 5.303 -11.250 33 H ILE 5 H ILE 5 -0.549 5.084 -13.027 34 HA ILE 5 HA ILE 5 -1.802 2.636 -13.744 35 HB ILE 5 HB ILE 5 -3.106 3.857 -15.244 36 HG12 ILE 5 2HG1 ILE 5 -1.337 4.781 -16.628 37 HG13 ILE 5 3HG1 ILE 5 -2.439 6.069 -16.153 38 HG21 ILE 5 1HG2 ILE 5 -2.760 4.789 -12.696 39 HG22 ILE 5 2HG2 ILE 5 -2.592 6.255 -13.660 40 HG23 ILE 5 3HG2 ILE 5 -4.051 5.275 -13.794 41 HD11 ILE 5 3HD1 ILE 5 -0.841 6.702 -14.370 42 HD12 ILE 5 1HD1 ILE 5 0.278 5.495 -15.002 43 HD13 ILE 5 2HD1 ILE 5 -0.194 6.869 -16.002 44 H LEU 6 H LEU 6 -1.916 1.880 -16.052 45 HA LEU 6 HA LEU 6 0.724 2.050 -17.348 46 HB2 LEU 6 2HB LEU 6 -0.630 -0.240 -16.270 47 HB3 LEU 6 3HB LEU 6 -0.425 -0.428 -18.010 48 HG LEU 6 HG LEU 6 1.854 0.223 -16.154 49 HD11 LEU 6 1HD1 LEU 6 1.087 -2.500 -17.184 50 HD12 LEU 6 2HD1 LEU 6 0.753 -1.929 -15.550 51 HD13 LEU 6 3HD1 LEU 6 2.419 -2.097 -16.101 52 HD21 LEU 6 3HD2 LEU 6 2.137 -1.199 -18.744 53 HD22 LEU 6 1HD2 LEU 6 3.228 -0.065 -17.946 54 HD23 LEU 6 2HD2 LEU 6 1.796 0.532 -18.786 55 H GLY 7 H GLY 7 -2.688 1.153 -17.846 56 HA2 GLY 7 2HA GLY 7 -2.439 1.586 -20.709 57 HA3 GLY 7 3HA GLY 7 -3.876 1.043 -19.856 58 H ILE 8 H ILE 8 -3.490 3.155 -21.905 59 HA ILE 8 HA ILE 8 -4.643 5.386 -20.365 60 HB ILE 8 HB ILE 8 -2.440 6.060 -21.106 61 HG12 ILE 8 2HG1 ILE 8 -4.619 7.299 -22.802 62 HG13 ILE 8 3HG1 ILE 8 -4.214 7.751 -21.150 63 HG21 ILE 8 1HG2 ILE 8 -1.530 5.420 -23.031 64 HG22 ILE 8 2HG2 ILE 8 -2.974 4.448 -23.312 65 HG23 ILE 8 3HG2 ILE 8 -2.875 6.086 -23.957 66 HD11 ILE 8 3HD1 ILE 8 -2.030 8.517 -21.880 67 HD12 ILE 8 1HD1 ILE 8 -2.399 8.027 -23.533 68 HD13 ILE 8 2HD1 ILE 8 -3.315 9.328 -22.774 69 H GLU 9 H GLU 9 -6.392 6.446 -21.256 70 HA GLU 9 HA GLU 9 -7.377 5.529 -23.856 71 HB2 GLU 9 2HB GLU 9 -8.407 4.539 -21.480 72 HB3 GLU 9 3HB GLU 9 -9.530 5.820 -21.912 73 HG2 GLU 9 2HG GLU 9 -9.240 4.552 -24.292 74 HG3 GLU 9 3HG GLU 9 -9.072 3.212 -23.159 75 H VAL 10 H VAL 10 -8.017 7.178 -25.074 76 HA VAL 10 HA VAL 10 -7.958 9.847 -24.120 77 HB VAL 10 HB VAL 10 -7.399 9.395 -26.423 78 HG11 VAL 10 1HG1 VAL 10 -9.984 8.927 -27.555 79 HG12 VAL 10 2HG1 VAL 10 -8.523 7.945 -27.674 80 HG13 VAL 10 3HG1 VAL 10 -9.645 7.700 -26.336 81 HG21 VAL 10 3HG2 VAL 10 -8.566 11.161 -27.466 82 HG22 VAL 10 1HG2 VAL 10 -10.004 10.896 -26.480 83 HG23 VAL 10 2HG2 VAL 10 -8.543 11.559 -25.748 84 H SER 11 H SER 11 -9.473 10.913 -23.048 85 HA SER 11 HA SER 11 -12.296 10.333 -23.597 86 HB2 SER 11 2HB SER 11 -11.009 9.482 -21.274 87 HB3 SER 11 3HB SER 11 -11.859 10.949 -20.788 88 HG SER 11 HG SER 11 -12.862 8.519 -21.240 89 H GLN 12 H GLN 12 -10.444 12.504 -24.338 90 HA GLN 12 HA GLN 12 -11.215 14.793 -22.770 91 HB2 GLN 12 2HB GLN 12 -9.878 14.772 -25.477 92 HB3 GLN 12 3HB GLN 12 -9.885 16.081 -24.302 93 HG2 GLN 12 2HG GLN 12 -8.779 13.510 -23.379 94 HG3 GLN 12 3HG GLN 12 -7.852 14.367 -24.609 95 HE21 GLN 12 1HE2 GLN 12 -8.100 16.937 -24.000 96 HE22 GLN 12 2HE2 GLN 12 -7.485 17.277 -22.422 97 H GLU 13 H GLU 13 -12.813 16.217 -23.158 98 HA GLU 13 HA GLU 13 -14.562 15.665 -25.456 99 HB2 GLU 13 2HB GLU 13 -15.068 16.200 -22.675 100 HB3 GLU 13 3HB GLU 13 -15.854 17.420 -23.667 101 HG2 GLU 13 2HG GLU 13 -17.519 15.973 -23.883 102 HG3 GLU 13 3HG GLU 13 -16.459 15.078 -24.970 103 HA PRO 14 HA PRO 14 -13.528 19.520 -27.302 104 HB2 PRO 14 2HB PRO 14 -15.789 19.948 -28.742 105 HB3 PRO 14 3HB PRO 14 -14.584 18.734 -29.185 106 HG2 PRO 14 2HG PRO 14 -17.183 18.384 -27.741 107 HG3 PRO 14 3HG PRO 14 -16.475 17.390 -29.027 108 HD2 PRO 14 2HD PRO 14 -16.357 16.691 -26.414 109 HD3 PRO 14 3HD PRO 14 -15.076 16.279 -27.571 110 H LYS 15 H LYS 15 -13.564 21.543 -26.558 111 HA LYS 15 HA LYS 15 -15.866 23.030 -25.983 112 HB2 LYS 15 2HB LYS 15 -16.161 21.645 -24.041 113 HB3 LYS 15 3HB LYS 15 -14.475 21.841 -23.581 114 HG2 LYS 15 2HG LYS 15 -15.648 24.421 -23.782 115 HG3 LYS 15 3HG LYS 15 -16.705 23.396 -22.809 116 HD2 LYS 15 2HD LYS 15 -14.468 22.701 -21.645 117 HD3 LYS 15 3HD LYS 15 -13.878 24.225 -22.313 118 HE2 LYS 15 2HE LYS 15 -15.956 25.278 -21.256 119 HE3 LYS 15 3HE LYS 15 -16.107 23.773 -20.351 120 HZ1 LYS 15 3HZ LYS 15 -14.831 25.693 -19.288 121 HZ2 LYS 15 1HZ LYS 15 -13.580 25.298 -20.357 122 HZ3 LYS 15 2HZ LYS 15 -14.124 24.157 -19.234 123 H LYS 16 H LYS 16 -13.013 23.033 -23.910 124 HA LYS 16 HA LYS 16 -11.544 24.741 -23.467 125 HB2 LYS 16 2HB LYS 16 -10.919 23.474 -25.787 126 HB3 LYS 16 3HB LYS 16 -11.015 25.139 -26.345 127 HG2 LYS 16 2HG LYS 16 -9.352 25.822 -24.743 128 HG3 LYS 16 3HG LYS 16 -9.321 24.204 -24.038 129 HD2 LYS 16 2HD LYS 16 -8.659 24.741 -26.925 130 HD3 LYS 16 3HD LYS 16 -7.444 24.764 -25.645 131 HE2 LYS 16 2HE LYS 16 -9.265 22.411 -26.016 132 HE3 LYS 16 3HE LYS 16 -7.800 22.586 -26.980 133 HZ1 LYS 16 3HZ LYS 16 -7.976 21.483 -24.484 134 HZ2 LYS 16 1HZ LYS 16 -7.304 23.010 -24.203 135 HZ3 LYS 16 2HZ LYS 16 -6.553 21.941 -25.276 136 H ASP 17 H ASP 17 -14.078 25.776 -23.476 137 HA ASP 17 HA ASP 17 -13.841 28.292 -24.984 138 HB2 ASP 17 2HB ASP 17 -15.894 27.277 -25.554 139 HB3 ASP 17 3HB ASP 17 -16.220 26.807 -23.888 140 H TYR 18 H TYR 18 -13.519 30.146 -23.931 141 HA TYR 18 HA TYR 18 -14.021 30.227 -21.034 142 HB2 TYR 18 2HB TYR 18 -11.935 31.172 -20.561 143 HB3 TYR 18 3HB TYR 18 -11.551 29.925 -21.742 144 HD1 TYR 18 HD1 TYR 18 -10.887 30.525 -24.015 145 HD2 TYR 18 HD2 TYR 18 -11.724 33.518 -21.109 146 HE1 TYR 18 HE1 TYR 18 -9.791 32.205 -25.438 147 HE2 TYR 18 HE2 TYR 18 -10.631 35.207 -22.525 148 HH TYR 18 HH TYR 18 -10.090 35.529 -24.920 149 H LEU 19 H LEU 19 -14.680 32.197 -20.197 150 HA LEU 19 HA LEU 19 -15.811 34.028 -22.147 151 HB2 LEU 19 2HB LEU 19 -16.950 35.031 -20.240 152 HB3 LEU 19 3HB LEU 19 -17.199 33.287 -20.302 153 HG LEU 19 HG LEU 19 -15.188 33.281 -18.594 154 HD11 LEU 19 1HD1 LEU 19 -16.178 36.087 -18.586 155 HD12 LEU 19 2HD1 LEU 19 -14.545 35.462 -18.356 156 HD13 LEU 19 3HD1 LEU 19 -15.727 35.339 -17.053 157 HD21 LEU 19 3HD2 LEU 19 -17.349 32.365 -18.093 158 HD22 LEU 19 1HD2 LEU 19 -18.046 33.977 -17.934 159 HD23 LEU 19 2HD2 LEU 19 -16.860 33.410 -16.759 160 H VAL 20 H VAL 20 -15.436 36.272 -22.170 161 HA VAL 20 HA VAL 20 -12.823 37.124 -22.056 162 HB VAL 20 HB VAL 20 -15.228 38.899 -21.622 163 HG11 VAL 20 1HG1 VAL 20 -13.513 40.348 -23.099 164 HG12 VAL 20 2HG1 VAL 20 -13.547 40.383 -21.335 165 HG13 VAL 20 3HG1 VAL 20 -12.368 39.376 -22.176 166 HG21 VAL 20 3HG2 VAL 20 -15.845 37.940 -23.591 167 HG22 VAL 20 1HG2 VAL 20 -14.746 39.163 -24.227 168 HG23 VAL 20 2HG2 VAL 20 -14.193 37.501 -24.024 169 H GLY 21 H GLY 21 -11.470 37.904 -20.537 170 HA2 GLY 21 2HA GLY 21 -10.888 38.966 -18.513 171 HA3 GLY 21 3HA GLY 21 -12.530 38.719 -17.938 172 H ASP 22 H ASP 22 -12.356 35.848 -18.858 173 HA ASP 22 HA ASP 22 -11.378 34.799 -16.369 174 HB2 ASP 22 2HB ASP 22 -13.398 33.907 -17.529 175 HB3 ASP 22 3HB ASP 22 -12.352 33.294 -18.806 176 H SER 23 H SER 23 -10.323 34.782 -19.730 177 HA SER 23 HA SER 23 -8.333 34.263 -20.703 178 HB2 SER 23 2HB SER 23 -6.937 34.043 -18.074 179 HB3 SER 23 3HB SER 23 -6.408 34.821 -19.566 180 HG SER 23 HG SER 23 -6.944 36.539 -18.430 181 H LEU 24 H LEU 24 -8.776 32.250 -21.488 182 HA LEU 24 HA LEU 24 -8.545 30.004 -21.762 183 HB2 LEU 24 2HB LEU 24 -6.413 30.764 -19.981 184 HB3 LEU 24 3HB LEU 24 -6.995 29.146 -19.595 185 HG LEU 24 HG LEU 24 -6.598 29.437 -22.437 186 HD11 LEU 24 1HD1 LEU 24 -4.111 29.574 -22.322 187 HD12 LEU 24 2HD1 LEU 24 -4.270 30.098 -20.646 188 HD13 LEU 24 3HD1 LEU 24 -4.942 31.084 -21.945 189 HD21 LEU 24 3HD2 LEU 24 -6.700 27.278 -21.565 190 HD22 LEU 24 1HD2 LEU 24 -5.603 27.659 -20.237 191 HD23 LEU 24 2HD2 LEU 24 -4.981 27.519 -21.882 192 H ASP 25 H ASP 25 -9.520 28.097 -21.075 193 HA ASP 25 HA ASP 25 -10.338 27.517 -18.463 194 HB2 ASP 25 2HB ASP 25 -11.824 29.595 -19.339 195 HB3 ASP 25 3HB ASP 25 -12.798 28.256 -19.939 196 H LEU 26 H LEU 26 -9.797 25.436 -18.964 197 HA LEU 26 HA LEU 26 -11.610 24.051 -20.819 198 HB2 LEU 26 2HB LEU 26 -9.526 24.269 -21.978 199 HB3 LEU 26 3HB LEU 26 -8.629 23.707 -20.569 200 HG LEU 26 HG LEU 26 -10.041 21.521 -20.941 201 HD11 LEU 26 1HD1 LEU 26 -10.884 21.126 -23.022 202 HD12 LEU 26 2HD1 LEU 26 -9.804 22.279 -23.804 203 HD13 LEU 26 3HD1 LEU 26 -11.202 22.856 -22.898 204 HD21 LEU 26 3HD2 LEU 26 -8.220 20.843 -22.659 205 HD22 LEU 26 1HD2 LEU 26 -7.739 21.307 -21.027 206 HD23 LEU 26 2HD2 LEU 26 -7.576 22.457 -22.355 207 H SER 27 H SER 27 -12.803 22.709 -19.651 208 HA SER 27 HA SER 27 -11.488 21.156 -17.521 209 HB2 SER 27 2HB SER 27 -13.696 22.989 -17.289 210 HB3 SER 27 3HB SER 27 -14.231 21.360 -16.876 211 HG SER 27 HG SER 27 -12.718 23.049 -15.444 212 H GLU 28 H GLU 28 -12.886 21.003 -20.461 213 HA GLU 28 HA GLU 28 -14.361 18.524 -20.005 214 HB2 GLU 28 2HB GLU 28 -14.008 20.244 -22.462 215 HB3 GLU 28 3HB GLU 28 -14.896 18.727 -22.452 216 HG2 GLU 28 2HG GLU 28 -15.562 21.196 -20.867 217 HG3 GLU 28 3HG GLU 28 -16.413 20.599 -22.290 218 H GLY 29 H GLY 29 -11.278 19.609 -21.006 219 HA2 GLY 29 2HA GLY 29 -10.642 17.263 -22.576 220 HA3 GLY 29 3HA GLY 29 -9.539 18.560 -22.139 221 H ARG 30 H ARG 30 -11.250 15.759 -20.788 222 HA ARG 30 HA ARG 30 -9.060 15.464 -18.842 223 HB2 ARG 30 2HB ARG 30 -10.582 14.270 -17.419 224 HB3 ARG 30 3HB ARG 30 -11.357 15.770 -17.911 225 HG2 ARG 30 2HG ARG 30 -12.010 13.690 -19.768 226 HG3 ARG 30 3HG ARG 30 -12.361 13.164 -18.121 227 HD2 ARG 30 2HD ARG 30 -13.607 15.289 -17.774 228 HD3 ARG 30 3HD ARG 30 -13.351 15.668 -19.477 229 HE ARG 30 HE ARG 30 -14.984 14.154 -20.031 230 HH11 ARG 30 1HH1 ARG 30 -14.071 13.709 -16.701 231 HH12 ARG 30 2HH1 ARG 30 -15.364 12.608 -16.358 232 HH21 ARG 30 1HH2 ARG 30 -16.690 12.705 -19.592 233 HH22 ARG 30 2HH2 ARG 30 -16.852 12.037 -18.003 234 H PHE 31 H PHE 31 -8.279 13.328 -18.397 235 HA PHE 31 HA PHE 31 -8.680 11.452 -20.635 236 HB2 PHE 31 2HB PHE 31 -6.329 10.749 -20.322 237 HB3 PHE 31 3HB PHE 31 -6.462 12.448 -20.762 238 HD1 PHE 31 HD1 PHE 31 -6.230 14.187 -18.963 239 HD2 PHE 31 HD2 PHE 31 -5.271 10.087 -18.339 240 HE1 PHE 31 HE1 PHE 31 -4.893 14.803 -16.992 241 HE2 PHE 31 HE2 PHE 31 -3.934 10.696 -16.366 242 HZ PHE 31 HZ PHE 31 -3.743 13.057 -15.690 243 H ALA 32 H ALA 32 -8.642 9.229 -20.164 244 HA ALA 32 HA ALA 32 -9.223 8.612 -17.348 245 HB1 ALA 32 1HB ALA 32 -10.344 7.693 -19.901 246 HB2 ALA 32 2HB ALA 32 -10.083 6.427 -18.702 247 HB3 ALA 32 3HB ALA 32 -11.093 7.819 -18.309 248 H VAL 33 H VAL 33 -7.699 7.578 -16.255 249 HA VAL 33 HA VAL 33 -5.741 5.957 -17.740 250 HB VAL 33 HB VAL 33 -4.359 6.185 -15.619 251 HG11 VAL 33 1HG1 VAL 33 -4.803 8.897 -16.759 252 HG12 VAL 33 2HG1 VAL 33 -3.296 8.026 -16.464 253 HG13 VAL 33 3HG1 VAL 33 -4.308 7.598 -17.844 254 HG21 VAL 33 3HG2 VAL 33 -5.010 7.476 -13.890 255 HG22 VAL 33 1HG2 VAL 33 -5.792 8.662 -14.936 256 HG23 VAL 33 2HG2 VAL 33 -6.628 7.167 -14.518 257 H ALA 34 H ALA 34 -5.519 3.836 -17.321 258 HA ALA 34 HA ALA 34 -7.293 2.674 -15.289 259 HB1 ALA 34 1HB ALA 34 -6.194 0.648 -16.922 260 HB2 ALA 34 2HB ALA 34 -7.856 1.239 -16.883 261 HB3 ALA 34 3HB ALA 34 -6.687 1.968 -17.983 262 H TYR 35 H TYR 35 -6.453 1.856 -13.492 263 HA TYR 35 HA TYR 35 -3.569 1.613 -13.242 264 HB2 TYR 35 2HB TYR 35 -4.994 2.719 -11.489 265 HB3 TYR 35 3HB TYR 35 -5.676 1.137 -11.127 266 HD1 TYR 35 HD1 TYR 35 -2.136 1.891 -11.940 267 HD2 TYR 35 HD2 TYR 35 -4.930 0.815 -8.917 268 HE1 TYR 35 HE1 TYR 35 -0.279 1.450 -10.389 269 HE2 TYR 35 HE2 TYR 35 -3.081 0.373 -7.357 270 HH TYR 35 HH TYR 35 -0.697 -0.184 -7.440 271 H SER 36 H SER 36 -2.478 -0.264 -12.655 272 HA SER 36 HA SER 36 -3.394 -2.656 -13.806 273 HB2 SER 36 2HB SER 36 -1.438 -3.646 -12.389 274 HB3 SER 36 3HB SER 36 -1.069 -2.498 -13.677 275 HG SER 36 HG SER 36 -0.892 -2.205 -10.921 276 H ASN 37 H ASN 37 -4.052 -1.248 -10.781 277 HA ASN 37 HA ASN 37 -4.754 -3.784 -9.521 278 HB2 ASN 37 2HB ASN 37 -3.602 -1.787 -8.339 279 HB3 ASN 37 3HB ASN 37 -5.209 -1.068 -8.311 280 HD21 ASN 37 1HD2 ASN 37 -3.965 -4.352 -7.795 281 HD22 ASN 37 2HD2 ASN 37 -4.709 -4.573 -6.252 282 H ASP 38 H ASP 38 -6.199 -2.630 -11.870 283 HA ASP 38 HA ASP 38 -8.335 -2.483 -12.637 284 HB2 ASP 38 2HB ASP 38 -8.587 -4.087 -10.152 285 HB3 ASP 38 3HB ASP 38 -10.075 -3.409 -10.807 286 H THR 39 H THR 39 -7.826 -0.120 -12.293 287 HA THR 39 HA THR 39 -10.024 1.071 -10.803 288 HB THR 39 HB THR 39 -7.613 2.643 -10.380 289 HG1 THR 39 HG1 THR 39 -7.720 0.248 -8.878 290 HG21 THR 39 3HG2 THR 39 -9.474 3.256 -9.124 291 HG22 THR 39 1HG2 THR 39 -8.501 2.354 -7.963 292 HG23 THR 39 2HG2 THR 39 -9.887 1.586 -8.738 293 H MET 40 H MET 40 -10.379 3.337 -11.369 294 HA MET 40 HA MET 40 -9.048 4.227 -13.818 295 HB2 MET 40 2HB MET 40 -11.284 2.928 -14.206 296 HB3 MET 40 3HB MET 40 -12.034 4.417 -13.649 297 HG2 MET 40 2HG MET 40 -11.242 5.641 -15.461 298 HG3 MET 40 3HG MET 40 -10.011 4.442 -15.851 299 HE1 MET 40 3HE MET 40 -13.248 5.929 -16.627 300 HE2 MET 40 1HE MET 40 -14.263 4.686 -17.359 301 HE3 MET 40 2HE MET 40 -14.057 4.738 -15.608 302 H GLU 41 H GLU 41 -8.756 6.391 -13.932 303 HA GLU 41 HA GLU 41 -10.184 8.085 -12.000 304 HB2 GLU 41 2HB GLU 41 -7.210 8.085 -12.537 305 HB3 GLU 41 3HB GLU 41 -8.050 9.337 -11.632 306 HG2 GLU 41 2HG GLU 41 -8.570 6.626 -10.673 307 HG3 GLU 41 3HG GLU 41 -6.883 7.126 -10.556 308 H GLU 42 H GLU 42 -10.923 9.961 -12.804 309 HA GLU 42 HA GLU 42 -10.005 10.749 -15.491 310 HB2 GLU 42 2HB GLU 42 -12.299 11.660 -15.844 311 HB3 GLU 42 3HB GLU 42 -12.250 9.912 -15.663 312 HG2 GLU 42 2HG GLU 42 -12.647 11.274 -13.133 313 HG3 GLU 42 3HG GLU 42 -13.900 11.654 -14.313 314 H HIS 43 H HIS 43 -9.348 12.798 -15.771 315 HA HIS 43 HA HIS 43 -10.161 14.903 -13.962 316 HB2 HIS 43 2HB HIS 43 -7.596 13.542 -13.684 317 HB3 HIS 43 3HB HIS 43 -7.415 15.276 -13.929 318 HD1 HIS 43 HD1 HIS 43 -9.864 16.250 -12.315 319 HD2 HIS 43 HD2 HIS 43 -7.169 13.375 -10.996 320 HE1 HIS 43 HE1 HIS 43 -10.036 16.268 -9.806 321 H SER 44 H SER 44 -9.990 16.918 -14.859 322 HA SER 44 HA SER 44 -8.908 17.018 -17.598 323 HB2 SER 44 2HB SER 44 -10.652 19.192 -17.258 324 HB3 SER 44 3HB SER 44 -10.950 17.728 -18.194 325 HG SER 44 HG SER 44 -12.550 18.175 -16.558 326 H PHE 45 H PHE 45 -7.190 18.262 -17.889 327 HA PHE 45 HA PHE 45 -5.421 19.608 -17.261 328 HB2 PHE 45 2HB PHE 45 -6.974 21.032 -18.587 329 HB3 PHE 45 3HB PHE 45 -7.712 21.575 -17.084 330 HD1 PHE 45 HD1 PHE 45 -4.226 21.185 -18.367 331 HD2 PHE 45 HD2 PHE 45 -7.101 23.690 -16.476 332 HE1 PHE 45 HE1 PHE 45 -2.547 22.976 -18.196 333 HE2 PHE 45 HE2 PHE 45 -5.427 25.485 -16.302 334 HZ PHE 45 HZ PHE 45 -3.147 25.130 -17.163 335 H THR 46 H THR 46 -5.196 18.437 -15.177 336 HA THR 46 HA THR 46 -5.044 20.315 -13.022 337 HB THR 46 HB THR 46 -7.382 19.708 -12.740 338 HG1 THR 46 HG1 THR 46 -5.800 19.814 -10.883 339 HG21 THR 46 3HG2 THR 46 -6.761 17.300 -13.780 340 HG22 THR 46 1HG2 THR 46 -8.221 17.606 -12.841 341 HG23 THR 46 2HG2 THR 46 -6.808 16.891 -12.066 342 H ASP 47 H ASP 47 -4.860 16.960 -14.088 343 HA ASP 47 HA ASP 47 -2.993 16.246 -11.997 344 HB2 ASP 47 2HB ASP 47 -4.728 14.678 -13.013 345 HB3 ASP 47 3HB ASP 47 -3.686 14.604 -14.431 346 H GLU 48 H GLU 48 -2.638 18.111 -14.586 347 HA GLU 48 HA GLU 48 -0.938 18.698 -15.989 348 HB2 GLU 48 2HB GLU 48 0.087 18.357 -13.395 349 HB3 GLU 48 3HB GLU 48 1.265 17.618 -14.470 350 HG2 GLU 48 2HG GLU 48 0.186 20.378 -14.931 351 HG3 GLU 48 3HG GLU 48 1.588 20.066 -13.909 352 H GLY 49 H GLY 49 -2.078 16.002 -16.300 353 HA2 GLY 49 2HA GLY 49 0.199 14.393 -17.166 354 HA3 GLY 49 3HA GLY 49 -1.482 13.881 -17.125 355 H VAL 50 H VAL 50 -2.231 16.457 -18.517 356 HA VAL 50 HA VAL 50 -1.491 15.573 -21.228 357 HB VAL 50 HB VAL 50 -3.556 16.745 -21.977 358 HG11 VAL 50 1HG1 VAL 50 -3.571 14.343 -21.619 359 HG12 VAL 50 2HG1 VAL 50 -3.946 14.581 -19.911 360 HG13 VAL 50 3HG1 VAL 50 -5.119 15.042 -21.146 361 HG21 VAL 50 3HG2 VAL 50 -4.600 18.150 -20.609 362 HG22 VAL 50 1HG2 VAL 50 -4.994 16.803 -19.541 363 HG23 VAL 50 2HG2 VAL 50 -3.505 17.715 -19.297 364 H GLU 51 H GLU 51 -0.244 16.870 -22.395 365 HA GLU 51 HA GLU 51 0.104 19.649 -21.516 366 HB2 GLU 51 2HB GLU 51 1.837 17.802 -23.149 367 HB3 GLU 51 3HB GLU 51 2.148 19.529 -23.036 368 HG2 GLU 51 2HG GLU 51 1.840 18.673 -20.403 369 HG3 GLU 51 3HG GLU 51 2.799 17.422 -21.191 370 H ILE 52 H ILE 52 -0.801 21.223 -22.651 371 HA ILE 52 HA ILE 52 -1.583 20.675 -25.438 372 HB ILE 52 HB ILE 52 -2.763 22.925 -23.860 373 HG12 ILE 52 2HG1 ILE 52 -2.989 20.986 -22.390 374 HG13 ILE 52 3HG1 ILE 52 -4.552 21.420 -23.073 375 HG21 ILE 52 1HG2 ILE 52 -3.219 22.758 -26.251 376 HG22 ILE 52 2HG2 ILE 52 -3.841 21.124 -26.025 377 HG23 ILE 52 3HG2 ILE 52 -4.685 22.495 -25.306 378 HD11 ILE 52 3HD1 ILE 52 -2.797 19.234 -24.157 379 HD12 ILE 52 1HD1 ILE 52 -4.095 18.980 -22.990 380 HD13 ILE 52 2HD1 ILE 52 -4.465 19.595 -24.602 381 H SER 53 H SER 53 -0.667 21.824 -27.009 382 HA SER 53 HA SER 53 0.439 24.466 -26.424 383 HB2 SER 53 2HB SER 53 2.043 22.130 -26.743 384 HB3 SER 53 3HB SER 53 2.288 23.156 -28.156 385 HG SER 53 HG SER 53 3.687 23.971 -26.729 386 H GLY 54 H GLY 54 0.680 25.813 -28.255 387 HA2 GLY 54 2HA GLY 54 0.637 25.891 -30.750 388 HA3 GLY 54 3HA GLY 54 -0.753 24.822 -30.643 389 H TYR 55 H TYR 55 -1.804 26.266 -28.284 390 HA TYR 55 HA TYR 55 -3.253 28.287 -29.753 391 HB2 TYR 55 2HB TYR 55 -4.724 27.189 -28.371 392 HB3 TYR 55 3HB TYR 55 -3.527 26.955 -27.101 393 HD1 TYR 55 HD2 TYR 55 -5.914 29.341 -28.576 394 HD2 TYR 55 HD1 TYR 55 -3.232 28.578 -25.362 395 HE1 TYR 55 HE2 TYR 55 -6.865 31.242 -27.340 396 HE2 TYR 55 HE1 TYR 55 -4.177 30.477 -24.116 397 HH TYR 55 HH TYR 55 -6.959 31.785 -24.589 398 H ASP 56 H ASP 56 -3.198 30.471 -29.443 399 HA ASP 56 HA ASP 56 -0.915 31.484 -27.906 400 HB2 ASP 56 2HB ASP 56 -1.481 31.992 -30.455 401 HB3 ASP 56 3HB ASP 56 -2.487 33.243 -29.729 402 H ALA 57 H ALA 57 -1.296 32.318 -25.973 403 HA ALA 57 HA ALA 57 -3.880 32.802 -24.950 404 HB1 ALA 57 1HB ALA 57 -2.859 33.174 -22.955 405 HB2 ALA 57 2HB ALA 57 -1.528 32.369 -23.788 406 HB3 ALA 57 3HB ALA 57 -1.560 34.129 -23.670 407 H GLN 58 H GLN 58 -1.775 34.727 -26.841 408 HA GLN 58 HA GLN 58 -2.600 37.299 -25.993 409 HB2 GLN 58 2HB GLN 58 -1.078 36.166 -28.252 410 HB3 GLN 58 3HB GLN 58 -1.883 37.694 -28.584 411 HG2 GLN 58 2HG GLN 58 -0.747 38.731 -26.713 412 HG3 GLN 58 3HG GLN 58 0.015 37.196 -26.302 413 HE21 GLN 58 1HE2 GLN 58 1.712 39.141 -26.607 414 HE22 GLN 58 2HE2 GLN 58 2.534 39.078 -28.125 415 H LYS 59 H LYS 59 -3.439 35.551 -28.990 416 HA LYS 59 HA LYS 59 -5.998 37.012 -29.005 417 HB2 LYS 59 2HB LYS 59 -4.028 36.504 -31.068 418 HB3 LYS 59 3HB LYS 59 -5.611 35.903 -31.544 419 HG2 LYS 59 2HG LYS 59 -6.575 38.012 -31.473 420 HG3 LYS 59 3HG LYS 59 -5.296 38.669 -30.449 421 HD2 LYS 59 2HD LYS 59 -3.885 39.019 -32.203 422 HD3 LYS 59 3HD LYS 59 -4.510 37.647 -33.121 423 HE2 LYS 59 2HE LYS 59 -5.759 39.032 -34.323 424 HE3 LYS 59 3HE LYS 59 -6.609 39.528 -32.860 425 HZ1 LYS 59 3HZ LYS 59 -4.124 40.744 -33.939 426 HZ2 LYS 59 1HZ LYS 59 -4.871 41.191 -32.489 427 HZ3 LYS 59 2HZ LYS 59 -5.668 41.435 -33.960 428 H THR 60 H THR 60 -7.895 35.904 -29.250 429 HA THR 60 HA THR 60 -7.747 32.982 -29.531 430 HB THR 60 HB THR 60 -9.266 32.588 -27.740 431 HG1 THR 60 HG1 THR 60 -9.560 35.408 -27.744 432 HG21 THR 60 3HG2 THR 60 -7.503 34.671 -26.512 433 HG22 THR 60 1HG2 THR 60 -6.787 33.237 -27.247 434 HG23 THR 60 2HG2 THR 60 -7.927 33.068 -25.912 435 H GLY 61 H GLY 61 -10.354 32.307 -29.384 436 HA2 GLY 61 2HA GLY 61 -12.527 33.181 -30.234 437 HA3 GLY 61 3HA GLY 61 -11.596 33.918 -31.529 438 H ARG 62 H ARG 62 -9.843 31.679 -31.953 439 HA ARG 62 HA ARG 62 -11.244 29.287 -32.423 440 HB2 ARG 62 2HB ARG 62 -12.280 31.011 -34.098 441 HB3 ARG 62 3HB ARG 62 -10.796 30.742 -35.003 442 HG2 ARG 62 2HG ARG 62 -11.948 28.232 -34.215 443 HG3 ARG 62 3HG ARG 62 -13.135 29.219 -35.070 444 HD2 ARG 62 2HD ARG 62 -11.399 29.589 -36.845 445 HD3 ARG 62 3HD ARG 62 -10.403 28.387 -36.026 446 HE ARG 62 HE ARG 62 -12.996 27.369 -36.578 447 HH11 ARG 62 1HH1 ARG 62 -9.933 28.104 -38.062 448 HH12 ARG 62 2HH1 ARG 62 -10.108 26.920 -39.315 449 HH21 ARG 62 1HH2 ARG 62 -13.237 25.806 -38.222 450 HH22 ARG 62 2HH2 ARG 62 -11.988 25.614 -39.405 451 H GLN 63 H GLN 63 -9.036 29.083 -31.363 452 HA GLN 63 HA GLN 63 -6.939 28.827 -33.415 453 HB2 GLN 63 2HB GLN 63 -6.471 28.931 -30.440 454 HB3 GLN 63 3HB GLN 63 -5.297 29.152 -31.731 455 HG2 GLN 63 2HG GLN 63 -7.548 31.028 -31.041 456 HG3 GLN 63 3HG GLN 63 -5.841 31.263 -30.668 457 HE21 GLN 63 1HE2 GLN 63 -4.579 30.607 -32.933 458 HE22 GLN 63 2HE2 GLN 63 -5.055 31.643 -34.231 459 H THR 64 H THR 64 -5.775 26.929 -33.581 460 HA THR 64 HA THR 64 -7.124 24.568 -32.588 461 HB THR 64 HB THR 64 -5.031 23.519 -33.884 462 HG1 THR 64 HG1 THR 64 -3.972 25.366 -34.459 463 HG21 THR 64 3HG2 THR 64 -7.522 24.718 -35.087 464 HG22 THR 64 1HG2 THR 64 -7.279 23.061 -34.538 465 HG23 THR 64 2HG2 THR 64 -6.435 23.647 -35.972 466 H LEU 65 H LEU 65 -6.139 22.909 -31.372 467 HA LEU 65 HA LEU 65 -3.631 23.598 -30.016 468 HB2 LEU 65 2HB LEU 65 -6.250 22.891 -28.728 469 HB3 LEU 65 3HB LEU 65 -4.711 22.665 -27.899 470 HG LEU 65 HG LEU 65 -4.502 25.261 -28.633 471 HD11 LEU 65 1HD1 LEU 65 -6.834 26.140 -27.835 472 HD12 LEU 65 2HD1 LEU 65 -7.402 24.595 -28.466 473 HD13 LEU 65 3HD1 LEU 65 -6.562 25.726 -29.528 474 HD21 LEU 65 3HD2 LEU 65 -5.342 25.736 -26.284 475 HD22 LEU 65 1HD2 LEU 65 -4.021 24.576 -26.433 476 HD23 LEU 65 2HD2 LEU 65 -5.668 24.006 -26.163 477 H THR 66 H THR 66 -2.436 21.829 -29.244 478 HA THR 66 HA THR 66 -3.368 19.193 -30.179 479 HB THR 66 HB THR 66 -0.701 18.862 -30.297 480 HG1 THR 66 HG1 THR 66 0.047 20.872 -29.987 481 HG21 THR 66 3HG2 THR 66 -1.012 19.633 -32.793 482 HG22 THR 66 1HG2 THR 66 -2.705 19.756 -32.320 483 HG23 THR 66 2HG2 THR 66 -1.859 18.215 -32.178 484 H LEU 67 H LEU 67 -3.218 17.541 -28.771 485 HA LEU 67 HA LEU 67 -1.942 18.096 -26.176 486 HB2 LEU 67 2HB LEU 67 -4.048 17.689 -25.494 487 HB3 LEU 67 3HB LEU 67 -4.461 16.804 -26.961 488 HG LEU 67 HG LEU 67 -3.296 14.821 -26.043 489 HD11 LEU 67 1HD1 LEU 67 -2.503 16.764 -24.033 490 HD12 LEU 67 2HD1 LEU 67 -1.810 15.191 -24.426 491 HD13 LEU 67 3HD1 LEU 67 -3.190 15.298 -23.333 492 HD21 LEU 67 3HD2 LEU 67 -5.386 15.863 -24.143 493 HD22 LEU 67 1HD2 LEU 67 -5.037 14.185 -24.555 494 HD23 LEU 67 2HD2 LEU 67 -5.752 15.258 -25.759 495 H HIS 68 H HIS 68 -0.154 17.002 -25.744 496 HA HIS 68 HA HIS 68 0.273 14.414 -27.089 497 HB2 HIS 68 2HB HIS 68 1.807 16.402 -27.668 498 HB3 HIS 68 3HB HIS 68 2.491 16.172 -26.062 499 HD1 HIS 68 HD1 HIS 68 1.754 13.918 -29.050 500 HD2 HIS 68 HD2 HIS 68 4.665 14.587 -26.163 501 HE1 HIS 68 HE1 HIS 68 3.594 12.282 -29.560 502 H TYR 69 H TYR 69 -0.066 12.813 -25.698 503 HA TYR 69 HA TYR 69 1.249 12.929 -23.085 504 HB2 TYR 69 2HB TYR 69 -1.047 13.605 -22.644 505 HB3 TYR 69 3HB TYR 69 -1.656 12.196 -23.505 506 HD1 TYR 69 HD2 TYR 69 1.195 12.229 -21.141 507 HD2 TYR 69 HD1 TYR 69 -2.875 11.155 -21.767 508 HE1 TYR 69 HE2 TYR 69 1.217 10.943 -19.044 509 HE2 TYR 69 HE1 TYR 69 -2.863 9.867 -19.671 510 HH TYR 69 HH TYR 69 -0.040 9.850 -17.541 511 H GLN 70 H GLN 70 2.539 11.226 -22.967 512 HA GLN 70 HA GLN 70 3.395 9.132 -23.197 513 HB2 GLN 70 2HB GLN 70 0.472 8.385 -23.388 514 HB3 GLN 70 3HB GLN 70 1.790 7.244 -23.157 515 HG2 GLN 70 2HG GLN 70 1.699 9.445 -21.219 516 HG3 GLN 70 3HG GLN 70 0.332 8.334 -21.162 517 HE21 GLN 70 1HE2 GLN 70 3.512 8.879 -20.228 518 HE22 GLN 70 2HE2 GLN 70 3.872 7.304 -19.616 519 H GLY 71 H GLY 71 2.946 10.801 -25.569 520 HA2 GLY 71 2HA GLY 71 3.694 10.378 -27.762 521 HA3 GLY 71 3HA GLY 71 3.284 8.682 -27.551 522 H HIS 72 H HIS 72 0.603 9.618 -26.437 523 HA HIS 72 HA HIS 72 -0.836 9.401 -28.876 524 HB2 HIS 72 2HB HIS 72 -1.726 10.076 -26.068 525 HB3 HIS 72 3HB HIS 72 -2.839 9.853 -27.415 526 HD1 HIS 72 HD1 HIS 72 -3.466 7.492 -28.014 527 HD2 HIS 72 HD2 HIS 72 -0.318 7.680 -25.310 528 HE1 HIS 72 HE1 HIS 72 -3.092 5.124 -27.252 529 H GLU 73 H GLU 73 -1.786 10.914 -30.134 530 HA GLU 73 HA GLU 73 -1.407 13.729 -29.348 531 HB2 GLU 73 2HB GLU 73 -0.132 12.728 -31.383 532 HB3 GLU 73 3HB GLU 73 -1.685 12.836 -32.200 533 HG2 GLU 73 2HG GLU 73 -1.670 15.293 -31.423 534 HG3 GLU 73 3HG GLU 73 0.054 15.035 -31.164 535 H VAL 74 H VAL 74 -3.122 15.072 -29.377 536 HA VAL 74 HA VAL 74 -5.631 14.109 -30.572 537 HB VAL 74 HB VAL 74 -5.680 15.599 -27.972 538 HG11 VAL 74 1HG1 VAL 74 -7.562 13.823 -29.494 539 HG12 VAL 74 2HG1 VAL 74 -7.811 14.197 -27.787 540 HG13 VAL 74 3HG1 VAL 74 -7.791 15.494 -28.982 541 HG21 VAL 74 3HG2 VAL 74 -5.852 13.416 -26.804 542 HG22 VAL 74 1HG2 VAL 74 -5.382 12.617 -28.305 543 HG23 VAL 74 2HG2 VAL 74 -4.259 13.712 -27.500 544 H SER 75 H SER 75 -7.107 15.743 -31.200 545 HA SER 75 HA SER 75 -5.857 18.393 -31.514 546 HB2 SER 75 2HB SER 75 -7.379 18.614 -33.516 547 HB3 SER 75 3HB SER 75 -6.133 17.376 -33.669 548 HG SER 75 HG SER 75 -8.245 16.673 -34.327 549 H PHE 76 H PHE 76 -6.903 20.158 -30.802 550 HA PHE 76 HA PHE 76 -9.725 19.925 -30.040 551 HB2 PHE 76 2HB PHE 76 -7.562 21.063 -28.256 552 HB3 PHE 76 3HB PHE 76 -9.287 21.068 -27.906 553 HD1 PHE 76 HD2 PHE 76 -10.233 18.465 -28.467 554 HD2 PHE 76 HD1 PHE 76 -6.456 19.614 -26.875 555 HE1 PHE 76 HE2 PHE 76 -10.020 16.263 -27.392 556 HE2 PHE 76 HE1 PHE 76 -6.237 17.413 -25.797 557 HZ PHE 76 HZ PHE 76 -8.021 15.734 -26.054 558 H ASP 77 H ASP 77 -10.661 22.118 -29.502 559 HA ASP 77 HA ASP 77 -9.355 24.261 -31.032 560 HB2 ASP 77 2HB ASP 77 -12.140 23.187 -31.358 561 HB3 ASP 77 3HB ASP 77 -11.789 24.871 -31.736 562 H VAL 78 H VAL 78 -9.645 26.323 -30.257 563 HA VAL 78 HA VAL 78 -11.132 26.551 -27.720 564 HB VAL 78 HB VAL 78 -8.694 26.683 -27.387 565 HG11 VAL 78 1HG1 VAL 78 -7.316 27.924 -28.637 566 HG12 VAL 78 2HG1 VAL 78 -8.666 28.046 -29.768 567 HG13 VAL 78 3HG1 VAL 78 -8.386 29.324 -28.584 568 HG21 VAL 78 3HG2 VAL 78 -9.159 29.423 -26.759 569 HG22 VAL 78 1HG2 VAL 78 -10.656 28.524 -26.514 570 HG23 VAL 78 2HG2 VAL 78 -9.182 28.024 -25.685 571 H LEU 79 H LEU 79 -12.513 28.231 -27.475 572 HA LEU 79 HA LEU 79 -12.489 30.408 -29.422 573 HB2 LEU 79 2HB LEU 79 -14.967 28.803 -28.818 574 HB3 LEU 79 3HB LEU 79 -14.849 30.189 -29.899 575 HG LEU 79 HG LEU 79 -13.091 28.595 -31.108 576 HD11 LEU 79 1HD1 LEU 79 -14.485 26.305 -31.005 577 HD12 LEU 79 2HD1 LEU 79 -14.665 26.841 -29.334 578 HD13 LEU 79 3HD1 LEU 79 -13.056 26.619 -30.021 579 HD21 LEU 79 3HD2 LEU 79 -14.932 29.546 -32.265 580 HD22 LEU 79 1HD2 LEU 79 -16.091 28.573 -31.359 581 HD23 LEU 79 2HD2 LEU 79 -15.014 27.803 -32.525 582 H VAL 80 H VAL 80 -13.031 32.333 -28.561 583 HA VAL 80 HA VAL 80 -13.831 32.355 -25.737 584 HB VAL 80 HB VAL 80 -11.736 33.545 -26.387 585 HG11 VAL 80 1HG1 VAL 80 -12.501 34.332 -28.589 586 HG12 VAL 80 2HG1 VAL 80 -13.615 35.443 -27.790 587 HG13 VAL 80 3HG1 VAL 80 -11.873 35.644 -27.593 588 HG21 VAL 80 3HG2 VAL 80 -13.940 35.290 -25.293 589 HG22 VAL 80 1HG2 VAL 80 -12.963 34.152 -24.366 590 HG23 VAL 80 2HG2 VAL 80 -12.210 35.568 -25.098 591 H SER 81 H SER 81 -15.679 33.293 -25.051 592 HA SER 81 HA SER 81 -17.388 34.555 -27.095 593 HB2 SER 81 2HB SER 81 -18.835 33.463 -24.814 594 HB3 SER 81 3HB SER 81 -19.098 33.203 -26.538 595 HG SER 81 HG SER 81 -18.313 31.396 -24.996 596 HA PRO 82 HA PRO 82 -17.795 38.127 -24.583 597 HB2 PRO 82 2HB PRO 82 -20.406 38.788 -24.922 598 HB3 PRO 82 3HB PRO 82 -19.193 38.984 -26.193 599 HG2 PRO 82 2HG PRO 82 -21.195 36.792 -25.808 600 HG3 PRO 82 3HG PRO 82 -20.723 37.626 -27.299 601 HD2 PRO 82 2HD PRO 82 -19.771 35.180 -26.634 602 HD3 PRO 82 3HD PRO 82 -18.813 36.360 -27.551 603 H LYS 83 H LYS 83 -18.350 38.803 -22.541 604 HA LYS 83 HA LYS 83 -19.072 36.910 -20.627 605 HB2 LYS 83 2HB LYS 83 -19.161 39.928 -20.514 606 HB3 LYS 83 3HB LYS 83 -19.395 38.890 -19.113 607 HG2 LYS 83 2HG LYS 83 -17.208 38.534 -18.874 608 HG3 LYS 83 3HG LYS 83 -16.969 38.274 -20.604 609 HD2 LYS 83 2HD LYS 83 -15.709 40.204 -19.985 610 HD3 LYS 83 3HD LYS 83 -17.109 40.759 -20.905 611 HE2 LYS 83 2HE LYS 83 -17.354 40.586 -17.948 612 HE3 LYS 83 3HE LYS 83 -16.385 41.895 -18.622 613 HZ1 LYS 83 3HZ LYS 83 -18.634 41.935 -20.136 614 HZ2 LYS 83 1HZ LYS 83 -18.314 42.960 -18.828 615 HZ3 LYS 83 2HZ LYS 83 -19.234 41.559 -18.600 616 H ALA 84 H ALA 84 -20.959 36.060 -20.062 617 HA ALA 84 HA ALA 84 -23.361 37.499 -19.797 618 HB1 ALA 84 1HB ALA 84 -24.055 37.584 -21.913 619 HB2 ALA 84 2HB ALA 84 -22.821 36.443 -22.450 620 HB3 ALA 84 3HB ALA 84 -24.338 35.848 -21.774 621 H ALA 85 H ALA 85 -23.132 36.322 -17.818 622 HA ALA 85 HA ALA 85 -24.499 33.775 -17.896 623 HB1 ALA 85 1HB ALA 85 -21.620 33.955 -17.470 624 HB2 ALA 85 2HB ALA 85 -22.467 33.101 -16.179 625 HB3 ALA 85 3HB ALA 85 -22.626 32.557 -17.849 626 H LEU 86 H LEU 86 -24.796 32.936 -15.575 627 HA LEU 86 HA LEU 86 -25.019 35.188 -13.696 628 HB2 LEU 86 2HB LEU 86 -27.104 33.118 -14.351 629 HB3 LEU 86 3HB LEU 86 -27.180 34.161 -12.932 630 HG LEU 86 HG LEU 86 -26.850 35.889 -15.109 631 HD11 LEU 86 1HD1 LEU 86 -28.158 35.226 -16.829 632 HD12 LEU 86 2HD1 LEU 86 -29.233 34.283 -15.797 633 HD13 LEU 86 3HD1 LEU 86 -27.668 33.625 -16.274 634 HD21 LEU 86 3HD2 LEU 86 -29.363 36.287 -14.571 635 HD22 LEU 86 1HD2 LEU 86 -28.142 36.629 -13.345 636 HD23 LEU 86 2HD2 LEU 86 -29.078 35.137 -13.264 637 H ASN 87 H ASN 87 -25.820 34.136 -11.458 638 HA ASN 87 HA ASN 87 -23.813 32.080 -10.858 639 HB2 ASN 87 2HB ASN 87 -24.985 34.349 -9.346 640 HB3 ASN 87 3HB ASN 87 -24.605 32.901 -8.418 641 HD21 ASN 87 1HD2 ASN 87 -22.635 32.777 -7.637 642 HD22 ASN 87 2HD2 ASN 87 -21.249 33.619 -8.231 643 H ASP 88 H ASP 88 -24.348 30.138 -10.007 644 HA ASP 88 HA ASP 88 -27.215 29.618 -9.560 645 HB2 ASP 88 2HB ASP 88 -26.799 27.308 -10.305 646 HB3 ASP 88 3HB ASP 88 -26.396 28.476 -11.561 647 H GLU 89 H GLU 89 -27.300 27.300 -8.337 648 HA GLU 89 HA GLU 89 -26.328 27.869 -5.716 649 HB2 GLU 89 2HB GLU 89 -27.371 25.710 -5.109 650 HB3 GLU 89 3HB GLU 89 -28.462 26.763 -5.999 651 HG2 GLU 89 2HG GLU 89 -28.807 25.175 -7.491 652 HG3 GLU 89 3HG GLU 89 -27.086 25.128 -7.867 Start of MODEL 8 1 H SER 1 H SER 1 3.011 3.062 -0.352 2 HA SER 1 HA SER 1 4.571 2.869 -2.001 3 HB2 SER 1 2HB SER 1 2.989 0.503 -2.259 4 HB3 SER 1 3HB SER 1 3.374 1.093 -3.875 5 HG SER 1 HG SER 1 4.945 -0.358 -2.737 6 HA PRO 2 HA PRO 2 3.342 5.620 -5.188 7 HB2 PRO 2 2HB PRO 2 5.058 4.997 -7.197 8 HB3 PRO 2 3HB PRO 2 5.565 5.839 -5.728 9 HG2 PRO 2 2HG PRO 2 5.814 2.940 -6.431 10 HG3 PRO 2 3HG PRO 2 7.000 4.010 -5.663 11 HD2 PRO 2 2HD PRO 2 5.492 2.258 -4.253 12 HD3 PRO 2 3HD PRO 2 6.017 3.817 -3.587 13 H LYS 3 H LYS 3 1.855 5.745 -6.781 14 HA LYS 3 HA LYS 3 0.945 3.226 -7.972 15 HB2 LYS 3 2HB LYS 3 -0.808 4.383 -6.839 16 HB3 LYS 3 3HB LYS 3 -0.389 5.907 -7.611 17 HG2 LYS 3 2HG LYS 3 -1.079 4.970 -9.780 18 HG3 LYS 3 3HG LYS 3 -1.561 3.484 -8.960 19 HD2 LYS 3 2HD LYS 3 -3.532 4.373 -8.445 20 HD3 LYS 3 3HD LYS 3 -2.739 5.719 -7.623 21 HE2 LYS 3 2HE LYS 3 -2.952 5.692 -10.606 22 HE3 LYS 3 3HE LYS 3 -4.333 6.184 -9.626 23 HZ1 LYS 3 3HZ LYS 3 -2.039 7.491 -8.676 24 HZ2 LYS 3 1HZ LYS 3 -3.421 8.168 -9.381 25 HZ3 LYS 3 2HZ LYS 3 -2.115 7.709 -10.352 26 H THR 4 H THR 4 2.078 2.857 -9.795 27 HA THR 4 HA THR 4 2.318 5.056 -11.739 28 HB THR 4 HB THR 4 3.956 3.024 -12.663 29 HG1 THR 4 HG1 THR 4 5.050 2.227 -10.927 30 HG21 THR 4 3HG2 THR 4 4.781 5.316 -10.880 31 HG22 THR 4 1HG2 THR 4 4.393 5.475 -12.592 32 HG23 THR 4 2HG2 THR 4 5.773 4.499 -12.087 33 H ILE 5 H ILE 5 0.963 4.966 -13.395 34 HA ILE 5 HA ILE 5 -0.509 2.565 -13.997 35 HB ILE 5 HB ILE 5 -1.709 3.877 -15.620 36 HG12 ILE 5 2HG1 ILE 5 -0.741 6.470 -15.445 37 HG13 ILE 5 3HG1 ILE 5 0.720 5.495 -15.551 38 HG21 ILE 5 1HG2 ILE 5 -1.622 4.414 -12.913 39 HG22 ILE 5 2HG2 ILE 5 -1.547 6.010 -13.658 40 HG23 ILE 5 3HG2 ILE 5 -2.882 4.922 -14.037 41 HD11 ILE 5 3HD1 ILE 5 -1.258 4.637 -17.467 42 HD12 ILE 5 1HD1 ILE 5 -0.872 6.349 -17.647 43 HD13 ILE 5 2HD1 ILE 5 0.414 5.143 -17.715 44 H LEU 6 H LEU 6 -0.720 1.803 -16.276 45 HA LEU 6 HA LEU 6 1.842 1.967 -17.717 46 HB2 LEU 6 2HB LEU 6 0.717 -0.292 -16.456 47 HB3 LEU 6 3HB LEU 6 0.549 -0.540 -18.192 48 HG LEU 6 HG LEU 6 3.183 0.184 -16.939 49 HD11 LEU 6 1HD1 LEU 6 3.705 -2.237 -17.006 50 HD12 LEU 6 2HD1 LEU 6 2.004 -2.560 -17.339 51 HD13 LEU 6 3HD1 LEU 6 2.478 -1.817 -15.812 52 HD21 LEU 6 3HD2 LEU 6 3.858 -1.220 -19.034 53 HD22 LEU 6 1HD2 LEU 6 3.384 0.470 -19.214 54 HD23 LEU 6 2HD2 LEU 6 2.233 -0.813 -19.587 55 H GLY 7 H GLY 7 -1.638 1.439 -17.887 56 HA2 GLY 7 2HA GLY 7 -1.508 1.929 -20.796 57 HA3 GLY 7 3HA GLY 7 -2.787 1.026 -19.999 58 H ILE 8 H ILE 8 -3.119 3.259 -21.764 59 HA ILE 8 HA ILE 8 -4.603 5.015 -19.949 60 HB ILE 8 HB ILE 8 -2.805 6.033 -22.153 61 HG12 ILE 8 2HG1 ILE 8 -2.640 6.314 -19.144 62 HG13 ILE 8 3HG1 ILE 8 -1.545 5.389 -20.165 63 HG21 ILE 8 1HG2 ILE 8 -4.870 7.313 -21.991 64 HG22 ILE 8 2HG2 ILE 8 -4.613 7.529 -20.260 65 HG23 ILE 8 3HG2 ILE 8 -3.499 8.261 -21.415 66 HD11 ILE 8 3HD1 ILE 8 -0.522 7.470 -19.532 67 HD12 ILE 8 1HD1 ILE 8 -0.855 7.479 -21.264 68 HD13 ILE 8 2HD1 ILE 8 -1.898 8.376 -20.160 69 H GLU 9 H GLU 9 -6.486 5.866 -20.794 70 HA GLU 9 HA GLU 9 -7.184 5.027 -23.530 71 HB2 GLU 9 2HB GLU 9 -8.441 4.308 -21.024 72 HB3 GLU 9 3HB GLU 9 -9.576 5.138 -22.079 73 HG2 GLU 9 2HG GLU 9 -8.957 3.528 -23.882 74 HG3 GLU 9 3HG GLU 9 -8.015 2.641 -22.684 75 H VAL 10 H VAL 10 -7.844 6.625 -24.804 76 HA VAL 10 HA VAL 10 -8.065 9.296 -23.814 77 HB VAL 10 HB VAL 10 -7.144 8.852 -26.036 78 HG11 VAL 10 1HG1 VAL 10 -9.748 8.372 -27.303 79 HG12 VAL 10 2HG1 VAL 10 -8.168 7.665 -27.647 80 HG13 VAL 10 3HG1 VAL 10 -9.146 7.039 -26.319 81 HG21 VAL 10 3HG2 VAL 10 -7.763 10.949 -26.434 82 HG22 VAL 10 1HG2 VAL 10 -9.264 10.337 -27.131 83 HG23 VAL 10 2HG2 VAL 10 -9.193 10.760 -25.420 84 H SER 11 H SER 11 -9.821 10.420 -23.247 85 HA SER 11 HA SER 11 -12.467 9.498 -24.079 86 HB2 SER 11 2HB SER 11 -11.417 9.050 -21.475 87 HB3 SER 11 3HB SER 11 -12.659 10.295 -21.338 88 HG SER 11 HG SER 11 -14.014 8.821 -22.591 89 H GLN 12 H GLN 12 -10.542 11.844 -24.444 90 HA GLN 12 HA GLN 12 -12.041 14.063 -23.333 91 HB2 GLN 12 2HB GLN 12 -10.344 15.442 -24.584 92 HB3 GLN 12 3HB GLN 12 -9.678 14.359 -23.369 93 HG2 GLN 12 2HG GLN 12 -9.835 13.124 -25.990 94 HG3 GLN 12 3HG GLN 12 -8.856 14.590 -25.986 95 HE21 GLN 12 1HE2 GLN 12 -6.816 13.958 -25.951 96 HE22 GLN 12 2HE2 GLN 12 -6.134 12.804 -24.861 97 H GLU 13 H GLU 13 -13.550 15.223 -24.359 98 HA GLU 13 HA GLU 13 -14.098 14.557 -27.170 99 HB2 GLU 13 2HB GLU 13 -15.815 15.247 -24.846 100 HB3 GLU 13 3HB GLU 13 -16.337 15.828 -26.421 101 HG2 GLU 13 2HG GLU 13 -17.321 13.852 -26.653 102 HG3 GLU 13 3HG GLU 13 -15.702 13.211 -26.929 103 HA PRO 14 HA PRO 14 -13.154 18.618 -28.537 104 HB2 PRO 14 2HB PRO 14 -14.985 18.961 -30.513 105 HB3 PRO 14 3HB PRO 14 -13.595 17.879 -30.667 106 HG2 PRO 14 2HG PRO 14 -16.438 17.226 -29.993 107 HG3 PRO 14 3HG PRO 14 -15.324 16.380 -31.083 108 HD2 PRO 14 2HD PRO 14 -15.835 15.519 -28.567 109 HD3 PRO 14 3HD PRO 14 -14.260 15.289 -29.353 110 H LYS 15 H LYS 15 -13.577 20.576 -27.739 111 HA LYS 15 HA LYS 15 -16.110 21.801 -27.723 112 HB2 LYS 15 2HB LYS 15 -16.693 20.308 -25.938 113 HB3 LYS 15 3HB LYS 15 -15.186 20.639 -25.094 114 HG2 LYS 15 2HG LYS 15 -15.965 22.533 -24.172 115 HG3 LYS 15 3HG LYS 15 -16.873 22.989 -25.616 116 HD2 LYS 15 2HD LYS 15 -18.451 21.060 -24.975 117 HD3 LYS 15 3HD LYS 15 -17.671 21.136 -23.393 118 HE2 LYS 15 2HE LYS 15 -18.785 22.987 -22.826 119 HE3 LYS 15 3HE LYS 15 -18.456 23.756 -24.378 120 HZ1 LYS 15 3HZ LYS 15 -20.488 23.270 -25.088 121 HZ2 LYS 15 1HZ LYS 15 -20.873 22.803 -23.508 122 HZ3 LYS 15 2HZ LYS 15 -20.356 21.647 -24.630 123 H LYS 16 H LYS 16 -13.740 21.950 -25.099 124 HA LYS 16 HA LYS 16 -12.533 23.720 -24.299 125 HB2 LYS 16 2HB LYS 16 -11.336 22.811 -26.462 126 HB3 LYS 16 3HB LYS 16 -11.785 24.380 -27.119 127 HG2 LYS 16 2HG LYS 16 -9.626 24.689 -26.307 128 HG3 LYS 16 3HG LYS 16 -10.662 25.370 -25.050 129 HD2 LYS 16 2HD LYS 16 -8.976 24.057 -23.978 130 HD3 LYS 16 3HD LYS 16 -10.504 23.182 -23.848 131 HE2 LYS 16 2HE LYS 16 -9.869 21.588 -25.409 132 HE3 LYS 16 3HE LYS 16 -8.641 22.632 -26.123 133 HZ1 LYS 16 3HZ LYS 16 -8.254 21.895 -23.334 134 HZ2 LYS 16 1HZ LYS 16 -7.121 22.051 -24.581 135 HZ3 LYS 16 2HZ LYS 16 -8.065 20.653 -24.467 136 H ASP 17 H ASP 17 -14.722 24.749 -23.913 137 HA ASP 17 HA ASP 17 -14.841 27.309 -25.365 138 HB2 ASP 17 2HB ASP 17 -16.885 25.311 -25.084 139 HB3 ASP 17 3HB ASP 17 -17.394 26.787 -24.267 140 H TYR 18 H TYR 18 -14.457 28.997 -24.106 141 HA TYR 18 HA TYR 18 -15.325 28.929 -21.307 142 HB2 TYR 18 2HB TYR 18 -13.256 29.432 -20.414 143 HB3 TYR 18 3HB TYR 18 -12.791 28.364 -21.734 144 HD1 TYR 18 HD2 TYR 18 -11.951 29.384 -23.881 145 HD2 TYR 18 HD1 TYR 18 -12.502 31.667 -20.334 146 HE1 TYR 18 HE2 TYR 18 -10.487 31.138 -24.790 147 HE2 TYR 18 HE1 TYR 18 -11.040 33.429 -21.233 148 HH TYR 18 HH TYR 18 -9.206 33.620 -22.912 149 H LEU 19 H LEU 19 -15.598 31.008 -20.346 150 HA LEU 19 HA LEU 19 -16.242 33.062 -22.320 151 HB2 LEU 19 2HB LEU 19 -17.069 32.503 -19.510 152 HB3 LEU 19 3HB LEU 19 -17.214 34.143 -20.138 153 HG LEU 19 HG LEU 19 -19.332 32.997 -20.316 154 HD11 LEU 19 1HD1 LEU 19 -18.131 34.392 -22.307 155 HD12 LEU 19 2HD1 LEU 19 -19.810 33.856 -22.333 156 HD13 LEU 19 3HD1 LEU 19 -18.569 32.905 -23.148 157 HD21 LEU 19 3HD2 LEU 19 -18.443 31.059 -22.335 158 HD22 LEU 19 1HD2 LEU 19 -19.621 30.888 -21.034 159 HD23 LEU 19 2HD2 LEU 19 -17.899 30.727 -20.690 160 H VAL 20 H VAL 20 -15.641 35.276 -21.990 161 HA VAL 20 HA VAL 20 -12.958 35.724 -21.535 162 HB VAL 20 HB VAL 20 -15.139 37.775 -21.134 163 HG11 VAL 20 1HG1 VAL 20 -13.303 38.948 -20.516 164 HG12 VAL 20 2HG1 VAL 20 -12.195 37.886 -21.386 165 HG13 VAL 20 3HG1 VAL 20 -13.112 39.113 -22.261 166 HG21 VAL 20 3HG2 VAL 20 -14.218 36.371 -23.524 167 HG22 VAL 20 1HG2 VAL 20 -15.679 37.323 -23.259 168 HG23 VAL 20 2HG2 VAL 20 -14.165 38.127 -23.673 169 H GLY 21 H GLY 21 -11.708 35.949 -19.790 170 HA2 GLY 21 2HA GLY 21 -11.108 36.534 -17.617 171 HA3 GLY 21 3HA GLY 21 -12.790 36.921 -17.284 172 H ASP 22 H ASP 22 -12.949 33.991 -18.664 173 HA ASP 22 HA ASP 22 -13.075 32.662 -16.064 174 HB2 ASP 22 2HB ASP 22 -14.906 32.642 -17.972 175 HB3 ASP 22 3HB ASP 22 -13.919 31.325 -18.600 176 H SER 23 H SER 23 -11.056 32.888 -18.782 177 HA SER 23 HA SER 23 -9.123 31.844 -19.376 178 HB2 SER 23 2HB SER 23 -8.930 30.138 -16.979 179 HB3 SER 23 3HB SER 23 -7.757 31.264 -17.661 180 HG SER 23 HG SER 23 -8.327 32.449 -16.016 181 H LEU 24 H LEU 24 -8.104 29.418 -19.286 182 HA LEU 24 HA LEU 24 -9.545 27.880 -21.029 183 HB2 LEU 24 2HB LEU 24 -7.398 27.247 -19.060 184 HB3 LEU 24 3HB LEU 24 -8.182 25.926 -19.925 185 HG LEU 24 HG LEU 24 -7.113 28.180 -21.537 186 HD11 LEU 24 1HD1 LEU 24 -5.462 26.340 -19.885 187 HD12 LEU 24 2HD1 LEU 24 -5.174 28.019 -20.341 188 HD13 LEU 24 3HD1 LEU 24 -4.917 26.730 -21.516 189 HD21 LEU 24 3HD2 LEU 24 -8.338 26.012 -22.299 190 HD22 LEU 24 1HD2 LEU 24 -6.764 25.258 -22.048 191 HD23 LEU 24 2HD2 LEU 24 -6.931 26.587 -23.195 192 H ASP 25 H ASP 25 -11.564 27.182 -20.781 193 HA ASP 25 HA ASP 25 -12.314 25.952 -18.211 194 HB2 ASP 25 2HB ASP 25 -13.598 27.995 -18.835 195 HB3 ASP 25 3HB ASP 25 -14.155 27.162 -20.284 196 H LEU 26 H LEU 26 -11.006 24.195 -19.552 197 HA LEU 26 HA LEU 26 -12.660 22.768 -21.455 198 HB2 LEU 26 2HB LEU 26 -10.309 22.833 -21.891 199 HB3 LEU 26 3HB LEU 26 -9.943 22.214 -20.282 200 HG LEU 26 HG LEU 26 -11.207 20.100 -21.043 201 HD11 LEU 26 1HD1 LEU 26 -10.374 20.535 -23.784 202 HD12 LEU 26 2HD1 LEU 26 -11.654 21.644 -23.293 203 HD13 LEU 26 3HD1 LEU 26 -11.894 19.903 -23.150 204 HD21 LEU 26 3HD2 LEU 26 -8.970 19.704 -22.591 205 HD22 LEU 26 1HD2 LEU 26 -9.069 19.493 -20.843 206 HD23 LEU 26 2HD2 LEU 26 -8.482 21.015 -21.515 207 H SER 27 H SER 27 -14.134 21.325 -20.887 208 HA SER 27 HA SER 27 -13.822 19.935 -18.306 209 HB2 SER 27 2HB SER 27 -16.217 19.925 -18.049 210 HB3 SER 27 3HB SER 27 -15.721 21.580 -18.401 211 HG SER 27 HG SER 27 -17.371 19.953 -19.794 212 H GLU 28 H GLU 28 -14.777 19.691 -21.674 213 HA GLU 28 HA GLU 28 -15.476 16.912 -21.524 214 HB2 GLU 28 2HB GLU 28 -15.087 18.862 -23.777 215 HB3 GLU 28 3HB GLU 28 -15.305 17.147 -24.096 216 HG2 GLU 28 2HG GLU 28 -17.259 18.574 -22.358 217 HG3 GLU 28 3HG GLU 28 -17.344 18.763 -24.108 218 H GLY 29 H GLY 29 -12.560 18.668 -21.798 219 HA2 GLY 29 2HA GLY 29 -11.077 16.601 -23.166 220 HA3 GLY 29 3HA GLY 29 -10.416 18.063 -22.449 221 H ARG 30 H ARG 30 -12.029 15.066 -21.378 222 HA ARG 30 HA ARG 30 -10.120 14.966 -19.138 223 HB2 ARG 30 2HB ARG 30 -11.739 13.862 -17.837 224 HB3 ARG 30 3HB ARG 30 -12.628 15.132 -18.668 225 HG2 ARG 30 2HG ARG 30 -12.935 13.104 -20.418 226 HG3 ARG 30 3HG ARG 30 -12.838 12.211 -18.900 227 HD2 ARG 30 2HD ARG 30 -14.616 13.633 -17.972 228 HD3 ARG 30 3HD ARG 30 -14.726 14.481 -19.514 229 HE ARG 30 HE ARG 30 -15.980 12.752 -20.314 230 HH11 ARG 30 1HH1 ARG 30 -14.218 11.653 -17.520 231 HH12 ARG 30 2HH1 ARG 30 -14.995 10.105 -17.477 232 HH21 ARG 30 1HH2 ARG 30 -17.010 10.717 -20.268 233 HH22 ARG 30 2HH2 ARG 30 -16.582 9.574 -19.041 234 H PHE 31 H PHE 31 -8.913 13.157 -18.788 235 HA PHE 31 HA PHE 31 -9.201 10.976 -20.749 236 HB2 PHE 31 2HB PHE 31 -6.608 10.760 -20.145 237 HB3 PHE 31 3HB PHE 31 -7.185 11.805 -21.438 238 HD1 PHE 31 HD2 PHE 31 -7.242 14.222 -21.154 239 HD2 PHE 31 HD1 PHE 31 -5.725 11.667 -18.106 240 HE1 PHE 31 HE2 PHE 31 -6.187 16.157 -20.061 241 HE2 PHE 31 HE1 PHE 31 -4.668 13.598 -17.008 242 HZ PHE 31 HZ PHE 31 -4.897 15.847 -17.986 243 H ALA 32 H ALA 32 -8.781 8.865 -20.039 244 HA ALA 32 HA ALA 32 -8.922 8.538 -17.117 245 HB1 ALA 32 1HB ALA 32 -9.574 6.203 -18.754 246 HB2 ALA 32 2HB ALA 32 -10.442 6.917 -17.394 247 HB3 ALA 32 3HB ALA 32 -10.636 7.586 -19.015 248 H VAL 33 H VAL 33 -7.669 6.947 -16.094 249 HA VAL 33 HA VAL 33 -5.473 5.821 -17.700 250 HB VAL 33 HB VAL 33 -4.838 7.865 -16.279 251 HG11 VAL 33 1HG1 VAL 33 -4.770 7.749 -14.004 252 HG12 VAL 33 2HG1 VAL 33 -6.168 6.712 -14.297 253 HG13 VAL 33 3HG1 VAL 33 -4.586 5.995 -13.987 254 HG21 VAL 33 3HG2 VAL 33 -3.417 5.219 -16.104 255 HG22 VAL 33 1HG2 VAL 33 -3.119 6.547 -17.225 256 HG23 VAL 33 2HG2 VAL 33 -2.708 6.724 -15.519 257 H ALA 34 H ALA 34 -4.848 3.767 -17.201 258 HA ALA 34 HA ALA 34 -6.481 2.374 -15.192 259 HB1 ALA 34 1HB ALA 34 -6.357 1.741 -17.742 260 HB2 ALA 34 2HB ALA 34 -4.896 0.895 -17.231 261 HB3 ALA 34 3HB ALA 34 -6.449 0.495 -16.497 262 H TYR 35 H TYR 35 -5.567 1.306 -13.522 263 HA TYR 35 HA TYR 35 -2.654 1.539 -13.239 264 HB2 TYR 35 2HB TYR 35 -4.140 2.571 -11.498 265 HB3 TYR 35 3HB TYR 35 -4.689 0.952 -11.082 266 HD1 TYR 35 HD2 TYR 35 -1.226 1.934 -11.966 267 HD2 TYR 35 HD1 TYR 35 -3.902 0.787 -8.864 268 HE1 TYR 35 HE2 TYR 35 0.675 1.690 -10.425 269 HE2 TYR 35 HE1 TYR 35 -2.009 0.540 -7.314 270 HH TYR 35 HH TYR 35 0.443 0.121 -7.454 271 H SER 36 H SER 36 -1.388 -0.213 -12.627 272 HA SER 36 HA SER 36 -2.102 -2.713 -13.683 273 HB2 SER 36 2HB SER 36 0.032 -3.395 -13.127 274 HB3 SER 36 3HB SER 36 0.247 -1.645 -13.094 275 HG SER 36 HG SER 36 -0.191 -1.794 -10.795 276 H ASN 37 H ASN 37 -2.821 -1.275 -10.681 277 HA ASN 37 HA ASN 37 -3.289 -3.826 -9.345 278 HB2 ASN 37 2HB ASN 37 -2.275 -1.707 -8.243 279 HB3 ASN 37 3HB ASN 37 -3.938 -1.132 -8.180 280 HD21 ASN 37 1HD2 ASN 37 -3.078 -1.226 -5.834 281 HD22 ASN 37 2HD2 ASN 37 -3.489 -2.661 -4.963 282 H ASP 38 H ASP 38 -4.873 -2.828 -11.684 283 HA ASP 38 HA ASP 38 -7.031 -2.855 -12.402 284 HB2 ASP 38 2HB ASP 38 -6.926 -4.950 -10.861 285 HB3 ASP 38 3HB ASP 38 -7.886 -3.976 -9.750 286 H THR 39 H THR 39 -6.702 -0.455 -12.077 287 HA THR 39 HA THR 39 -8.942 0.559 -10.508 288 HB THR 39 HB THR 39 -6.640 2.336 -10.269 289 HG1 THR 39 HG1 THR 39 -5.883 0.833 -8.447 290 HG21 THR 39 3HG2 THR 39 -7.432 2.572 -8.022 291 HG22 THR 39 1HG2 THR 39 -8.384 1.093 -8.144 292 HG23 THR 39 2HG2 THR 39 -8.841 2.516 -9.081 293 H MET 40 H MET 40 -9.518 2.786 -11.083 294 HA MET 40 HA MET 40 -8.432 3.719 -13.635 295 HB2 MET 40 2HB MET 40 -11.012 2.478 -13.289 296 HB3 MET 40 3HB MET 40 -11.206 4.146 -13.811 297 HG2 MET 40 2HG MET 40 -9.689 3.704 -15.699 298 HG3 MET 40 3HG MET 40 -9.586 2.020 -15.191 299 HE1 MET 40 3HE MET 40 -11.550 0.441 -17.313 300 HE2 MET 40 1HE MET 40 -10.694 0.399 -15.771 301 HE3 MET 40 2HE MET 40 -12.454 0.292 -15.806 302 H GLU 41 H GLU 41 -8.433 5.912 -13.879 303 HA GLU 41 HA GLU 41 -9.792 7.512 -11.822 304 HB2 GLU 41 2HB GLU 41 -6.913 7.305 -12.358 305 HB3 GLU 41 3HB GLU 41 -7.513 8.957 -12.313 306 HG2 GLU 41 2HG GLU 41 -8.675 8.082 -10.102 307 HG3 GLU 41 3HG GLU 41 -7.331 6.942 -10.150 308 H GLU 42 H GLU 42 -10.801 9.292 -12.557 309 HA GLU 42 HA GLU 42 -10.345 10.043 -15.371 310 HB2 GLU 42 2HB GLU 42 -12.665 10.546 -15.606 311 HB3 GLU 42 3HB GLU 42 -12.554 8.948 -14.882 312 HG2 GLU 42 2HG GLU 42 -14.145 9.821 -13.538 313 HG3 GLU 42 3HG GLU 42 -12.725 10.365 -12.648 314 H HIS 43 H HIS 43 -10.067 12.163 -15.860 315 HA HIS 43 HA HIS 43 -10.667 14.235 -13.933 316 HB2 HIS 43 2HB HIS 43 -7.951 13.187 -14.311 317 HB3 HIS 43 3HB HIS 43 -8.072 14.935 -14.489 318 HD1 HIS 43 HD1 HIS 43 -6.728 13.240 -12.082 319 HD2 HIS 43 HD2 HIS 43 -10.342 15.290 -12.026 320 HE1 HIS 43 HE1 HIS 43 -7.177 13.745 -9.660 321 H SER 44 H SER 44 -10.940 16.218 -14.867 322 HA SER 44 HA SER 44 -10.423 16.381 -17.765 323 HB2 SER 44 2HB SER 44 -12.595 18.034 -16.591 324 HB3 SER 44 3HB SER 44 -12.509 17.235 -18.161 325 HG SER 44 HG SER 44 -13.326 16.228 -15.683 326 H PHE 45 H PHE 45 -9.058 17.924 -18.344 327 HA PHE 45 HA PHE 45 -7.544 19.635 -18.081 328 HB2 PHE 45 2HB PHE 45 -9.552 20.736 -18.995 329 HB3 PHE 45 3HB PHE 45 -10.118 21.051 -17.357 330 HD1 PHE 45 HD2 PHE 45 -7.006 21.570 -19.357 331 HD2 PHE 45 HD1 PHE 45 -9.802 23.177 -16.580 332 HE1 PHE 45 HE2 PHE 45 -5.765 23.694 -19.343 333 HE2 PHE 45 HE1 PHE 45 -8.567 25.305 -16.562 334 HZ PHE 45 HZ PHE 45 -6.545 25.565 -17.944 335 H THR 46 H THR 46 -6.651 18.517 -16.143 336 HA THR 46 HA THR 46 -6.423 20.391 -13.980 337 HB THR 46 HB THR 46 -8.356 19.391 -13.074 338 HG1 THR 46 HG1 THR 46 -6.330 17.801 -11.893 339 HG21 THR 46 3HG2 THR 46 -7.170 16.684 -13.698 340 HG22 THR 46 1HG2 THR 46 -8.455 17.467 -14.618 341 HG23 THR 46 2HG2 THR 46 -8.733 16.992 -12.942 342 H ASP 47 H ASP 47 -5.807 17.074 -15.072 343 HA ASP 47 HA ASP 47 -3.517 16.633 -13.487 344 HB2 ASP 47 2HB ASP 47 -4.645 14.752 -14.464 345 HB3 ASP 47 3HB ASP 47 -4.419 15.391 -16.089 346 H GLU 48 H GLU 48 -1.353 16.914 -13.874 347 HA GLU 48 HA GLU 48 -0.695 18.846 -15.966 348 HB2 GLU 48 2HB GLU 48 0.583 18.011 -13.395 349 HB3 GLU 48 3HB GLU 48 1.582 18.737 -14.645 350 HG2 GLU 48 2HG GLU 48 -0.474 20.486 -14.576 351 HG3 GLU 48 3HG GLU 48 -0.440 19.948 -12.897 352 H GLY 49 H GLY 49 -1.172 15.982 -16.521 353 HA2 GLY 49 2HA GLY 49 1.487 15.003 -17.239 354 HA3 GLY 49 3HA GLY 49 -0.018 14.103 -17.356 355 H VAL 50 H VAL 50 -1.165 16.634 -18.681 356 HA VAL 50 HA VAL 50 -0.141 16.007 -21.371 357 HB VAL 50 HB VAL 50 -2.281 16.680 -22.264 358 HG11 VAL 50 1HG1 VAL 50 -2.896 14.576 -21.912 359 HG12 VAL 50 2HG1 VAL 50 -1.924 14.503 -20.441 360 HG13 VAL 50 3HG1 VAL 50 -3.594 15.066 -20.368 361 HG21 VAL 50 3HG2 VAL 50 -4.148 17.163 -20.572 362 HG22 VAL 50 1HG2 VAL 50 -2.844 17.509 -19.436 363 HG23 VAL 50 2HG2 VAL 50 -2.996 18.453 -20.918 364 H GLU 51 H GLU 51 0.404 17.640 -22.779 365 HA GLU 51 HA GLU 51 0.326 20.385 -21.717 366 HB2 GLU 51 2HB GLU 51 2.633 18.984 -23.070 367 HB3 GLU 51 3HB GLU 51 2.554 20.728 -22.857 368 HG2 GLU 51 2HG GLU 51 2.049 19.693 -20.331 369 HG3 GLU 51 3HG GLU 51 3.329 18.674 -20.988 370 H ILE 52 H ILE 52 -0.711 21.728 -23.022 371 HA ILE 52 HA ILE 52 -1.074 20.970 -25.835 372 HB ILE 52 HB ILE 52 -2.644 22.741 -23.987 373 HG12 ILE 52 2HG1 ILE 52 -4.512 21.310 -24.953 374 HG13 ILE 52 3HG1 ILE 52 -3.254 20.334 -25.704 375 HG21 ILE 52 1HG2 ILE 52 -2.690 22.718 -26.993 376 HG22 ILE 52 2HG2 ILE 52 -4.051 23.279 -26.022 377 HG23 ILE 52 3HG2 ILE 52 -2.493 24.098 -25.912 378 HD11 ILE 52 3HD1 ILE 52 -4.239 19.567 -23.467 379 HD12 ILE 52 1HD1 ILE 52 -2.487 19.538 -23.666 380 HD13 ILE 52 2HD1 ILE 52 -3.249 20.844 -22.759 381 H SER 53 H SER 53 -0.449 22.266 -27.496 382 HA SER 53 HA SER 53 0.849 24.818 -26.813 383 HB2 SER 53 2HB SER 53 2.195 22.537 -27.655 384 HB3 SER 53 3HB SER 53 2.037 23.498 -29.125 385 HG SER 53 HG SER 53 3.925 24.039 -27.959 386 H GLY 54 H GLY 54 0.904 26.390 -28.520 387 HA2 GLY 54 2HA GLY 54 0.267 27.181 -30.676 388 HA3 GLY 54 3HA GLY 54 -0.883 25.856 -30.789 389 H TYR 55 H TYR 55 -1.669 26.536 -27.907 390 HA TYR 55 HA TYR 55 -3.716 28.459 -28.668 391 HB2 TYR 55 2HB TYR 55 -4.925 27.032 -27.428 392 HB3 TYR 55 3HB TYR 55 -3.483 26.296 -26.738 393 HD1 TYR 55 HD2 TYR 55 -6.004 28.938 -26.319 394 HD2 TYR 55 HD1 TYR 55 -2.642 26.987 -24.591 395 HE1 TYR 55 HE2 TYR 55 -6.500 30.009 -24.162 396 HE2 TYR 55 HE1 TYR 55 -3.128 28.052 -22.428 397 HH TYR 55 HH TYR 55 -6.033 29.987 -21.945 398 H ASP 56 H ASP 56 -3.773 30.520 -28.031 399 HA ASP 56 HA ASP 56 -1.667 31.449 -26.208 400 HB2 ASP 56 2HB ASP 56 -3.156 32.719 -28.471 401 HB3 ASP 56 3HB ASP 56 -2.495 33.744 -27.200 402 H ALA 57 H ALA 57 -2.370 31.516 -24.169 403 HA ALA 57 HA ALA 57 -4.996 31.680 -23.292 404 HB1 ALA 57 1HB ALA 57 -2.606 32.730 -21.788 405 HB2 ALA 57 2HB ALA 57 -4.122 32.129 -21.115 406 HB3 ALA 57 3HB ALA 57 -3.015 31.020 -21.922 407 H GLN 58 H GLN 58 -2.719 34.247 -24.067 408 HA GLN 58 HA GLN 58 -4.656 36.281 -23.264 409 HB2 GLN 58 2HB GLN 58 -1.745 36.321 -23.971 410 HB3 GLN 58 3HB GLN 58 -2.684 37.805 -24.057 411 HG2 GLN 58 2HG GLN 58 -3.375 37.342 -21.667 412 HG3 GLN 58 3HG GLN 58 -2.122 36.102 -21.652 413 HE21 GLN 58 1HE2 GLN 58 -0.890 37.126 -20.109 414 HE22 GLN 58 2HE2 GLN 58 -0.018 38.584 -20.422 415 H LYS 59 H LYS 59 -4.975 34.493 -25.630 416 HA LYS 59 HA LYS 59 -6.019 36.403 -27.425 417 HB2 LYS 59 2HB LYS 59 -3.531 36.594 -27.884 418 HB3 LYS 59 3HB LYS 59 -3.604 34.949 -28.501 419 HG2 LYS 59 2HG LYS 59 -5.095 35.602 -30.253 420 HG3 LYS 59 3HG LYS 59 -5.259 37.223 -29.572 421 HD2 LYS 59 2HD LYS 59 -3.544 37.872 -30.831 422 HD3 LYS 59 3HD LYS 59 -2.502 36.784 -29.911 423 HE2 LYS 59 2HE LYS 59 -3.527 34.987 -31.550 424 HE3 LYS 59 3HE LYS 59 -3.789 36.401 -32.569 425 HZ1 LYS 59 3HZ LYS 59 -1.659 35.318 -33.013 426 HZ2 LYS 59 1HZ LYS 59 -1.174 35.591 -31.415 427 HZ3 LYS 59 2HZ LYS 59 -1.444 36.900 -32.453 428 H THR 60 H THR 60 -7.741 34.901 -26.930 429 HA THR 60 HA THR 60 -7.529 32.278 -28.221 430 HB THR 60 HB THR 60 -9.760 31.853 -27.119 431 HG1 THR 60 HG1 THR 60 -9.163 34.136 -25.547 432 HG21 THR 60 3HG2 THR 60 -8.131 32.497 -24.806 433 HG22 THR 60 1HG2 THR 60 -7.186 31.736 -26.085 434 HG23 THR 60 2HG2 THR 60 -8.612 30.924 -25.441 435 H GLY 61 H GLY 61 -9.947 31.635 -29.027 436 HA2 GLY 61 2HA GLY 61 -11.845 32.414 -30.293 437 HA3 GLY 61 3HA GLY 61 -10.897 33.816 -30.767 438 H ARG 62 H ARG 62 -11.479 30.415 -31.323 439 HA ARG 62 HA ARG 62 -11.113 29.087 -33.133 440 HB2 ARG 62 2HB ARG 62 -11.937 31.256 -34.279 441 HB3 ARG 62 3HB ARG 62 -10.247 31.499 -34.701 442 HG2 ARG 62 2HG ARG 62 -11.169 28.823 -35.337 443 HG3 ARG 62 3HG ARG 62 -12.108 30.077 -36.149 444 HD2 ARG 62 2HD ARG 62 -9.637 31.035 -36.558 445 HD3 ARG 62 3HD ARG 62 -9.269 29.312 -36.471 446 HE ARG 62 HE ARG 62 -11.451 29.678 -38.190 447 HH11 ARG 62 1HH1 ARG 62 -8.040 30.356 -38.030 448 HH12 ARG 62 2HH1 ARG 62 -7.816 30.303 -39.747 449 HH21 ARG 62 1HH2 ARG 62 -11.169 29.606 -40.453 450 HH22 ARG 62 2HH2 ARG 62 -9.597 29.877 -41.125 451 H GLN 63 H GLN 63 -9.107 29.098 -31.343 452 HA GLN 63 HA GLN 63 -6.637 29.299 -32.927 453 HB2 GLN 63 2HB GLN 63 -6.768 28.979 -29.937 454 HB3 GLN 63 3HB GLN 63 -5.422 29.548 -30.914 455 HG2 GLN 63 2HG GLN 63 -8.017 31.014 -30.498 456 HG3 GLN 63 3HG GLN 63 -6.500 31.354 -29.667 457 HE21 GLN 63 1HE2 GLN 63 -7.347 33.467 -30.783 458 HE22 GLN 63 2HE2 GLN 63 -6.606 33.810 -32.306 459 H THR 64 H THR 64 -5.247 27.566 -33.095 460 HA THR 64 HA THR 64 -6.457 24.968 -32.777 461 HB THR 64 HB THR 64 -3.648 25.588 -33.703 462 HG1 THR 64 HG1 THR 64 -6.108 25.492 -35.133 463 HG21 THR 64 3HG2 THR 64 -4.435 23.401 -35.069 464 HG22 THR 64 1HG2 THR 64 -5.334 23.166 -33.571 465 HG23 THR 64 2HG2 THR 64 -3.579 23.330 -33.529 466 H LEU 65 H LEU 65 -5.552 23.213 -31.608 467 HA LEU 65 HA LEU 65 -3.523 23.835 -29.605 468 HB2 LEU 65 2HB LEU 65 -6.263 22.776 -28.928 469 HB3 LEU 65 3HB LEU 65 -4.908 22.868 -27.805 470 HG LEU 65 HG LEU 65 -5.024 25.438 -28.495 471 HD11 LEU 65 1HD1 LEU 65 -7.124 26.233 -29.041 472 HD12 LEU 65 2HD1 LEU 65 -7.934 24.753 -28.527 473 HD13 LEU 65 3HD1 LEU 65 -7.006 24.775 -30.027 474 HD21 LEU 65 3HD2 LEU 65 -6.731 25.623 -26.534 475 HD22 LEU 65 1HD2 LEU 65 -5.120 24.966 -26.241 476 HD23 LEU 65 2HD2 LEU 65 -6.497 23.878 -26.417 477 H THR 66 H THR 66 -2.251 22.129 -29.090 478 HA THR 66 HA THR 66 -3.075 19.460 -30.009 479 HB THR 66 HB THR 66 -0.200 19.953 -30.263 480 HG1 THR 66 HG1 THR 66 -2.075 21.491 -31.721 481 HG21 THR 66 3HG2 THR 66 -2.371 18.752 -31.967 482 HG22 THR 66 1HG2 THR 66 -1.069 17.925 -31.113 483 HG23 THR 66 2HG2 THR 66 -0.707 18.913 -32.529 484 H LEU 67 H LEU 67 -3.223 18.290 -28.207 485 HA LEU 67 HA LEU 67 -1.362 18.769 -26.005 486 HB2 LEU 67 2HB LEU 67 -2.897 17.820 -24.603 487 HB3 LEU 67 3HB LEU 67 -3.955 18.484 -25.847 488 HG LEU 67 HG LEU 67 -3.730 16.063 -26.862 489 HD11 LEU 67 1HD1 LEU 67 -2.937 14.441 -25.555 490 HD12 LEU 67 2HD1 LEU 67 -3.766 15.064 -24.129 491 HD13 LEU 67 3HD1 LEU 67 -2.203 15.730 -24.601 492 HD21 LEU 67 3HD2 LEU 67 -5.718 17.378 -25.769 493 HD22 LEU 67 1HD2 LEU 67 -5.466 16.239 -24.446 494 HD23 LEU 67 2HD2 LEU 67 -5.839 15.643 -26.063 495 H HIS 68 H HIS 68 0.229 17.404 -25.454 496 HA HIS 68 HA HIS 68 0.332 14.787 -26.805 497 HB2 HIS 68 2HB HIS 68 2.009 16.771 -27.442 498 HB3 HIS 68 3HB HIS 68 2.877 16.131 -26.050 499 HD1 HIS 68 HD1 HIS 68 1.507 14.953 -29.385 500 HD2 HIS 68 HD2 HIS 68 4.400 13.937 -26.581 501 HE1 HIS 68 HE1 HIS 68 2.823 13.080 -30.425 502 H TYR 69 H TYR 69 0.026 13.260 -25.329 503 HA TYR 69 HA TYR 69 1.584 13.367 -22.853 504 HB2 TYR 69 2HB TYR 69 -0.540 14.207 -22.138 505 HB3 TYR 69 3HB TYR 69 -1.403 12.952 -23.020 506 HD1 TYR 69 HD2 TYR 69 1.570 12.558 -20.825 507 HD2 TYR 69 HD1 TYR 69 -2.598 11.862 -21.323 508 HE1 TYR 69 HE2 TYR 69 1.571 11.148 -18.810 509 HE2 TYR 69 HE1 TYR 69 -2.609 10.450 -19.309 510 HH TYR 69 HH TYR 69 -1.384 9.971 -17.390 511 H GLN 70 H GLN 70 2.617 11.516 -22.519 512 HA GLN 70 HA GLN 70 3.273 9.345 -22.684 513 HB2 GLN 70 2HB GLN 70 0.410 9.294 -22.302 514 HB3 GLN 70 3HB GLN 70 0.926 7.927 -23.280 515 HG2 GLN 70 2HG GLN 70 2.756 8.118 -21.159 516 HG3 GLN 70 3HG GLN 70 1.151 8.326 -20.460 517 HE21 GLN 70 1HE2 GLN 70 1.256 6.345 -19.409 518 HE22 GLN 70 2HE2 GLN 70 1.108 4.845 -20.254 519 H GLY 71 H GLY 71 2.959 11.061 -25.118 520 HA2 GLY 71 2HA GLY 71 3.805 10.564 -27.266 521 HA3 GLY 71 3HA GLY 71 3.305 8.893 -27.051 522 H HIS 72 H HIS 72 0.624 9.930 -26.074 523 HA HIS 72 HA HIS 72 -0.689 9.811 -28.602 524 HB2 HIS 72 2HB HIS 72 -1.443 9.215 -26.064 525 HB3 HIS 72 3HB HIS 72 -2.234 10.775 -26.273 526 HD1 HIS 72 HD1 HIS 72 -4.221 10.888 -27.877 527 HD2 HIS 72 HD2 HIS 72 -2.420 7.147 -27.725 528 HE1 HIS 72 HE1 HIS 72 -5.796 9.335 -29.074 529 H GLU 73 H GLU 73 -1.359 11.403 -29.900 530 HA GLU 73 HA GLU 73 -1.137 14.168 -28.904 531 HB2 GLU 73 2HB GLU 73 0.518 13.530 -30.661 532 HB3 GLU 73 3HB GLU 73 -0.822 13.223 -31.757 533 HG2 GLU 73 2HG GLU 73 -1.074 15.838 -30.610 534 HG3 GLU 73 3HG GLU 73 0.525 15.636 -31.324 535 H VAL 74 H VAL 74 -2.844 15.506 -29.122 536 HA VAL 74 HA VAL 74 -5.131 14.603 -30.735 537 HB VAL 74 HB VAL 74 -5.449 15.844 -28.005 538 HG11 VAL 74 1HG1 VAL 74 -7.535 14.214 -29.351 539 HG12 VAL 74 2HG1 VAL 74 -7.701 15.604 -28.276 540 HG13 VAL 74 3HG1 VAL 74 -7.236 15.841 -29.961 541 HG21 VAL 74 3HG2 VAL 74 -6.339 13.261 -27.776 542 HG22 VAL 74 1HG2 VAL 74 -4.883 13.080 -28.754 543 HG23 VAL 74 2HG2 VAL 74 -4.795 13.868 -27.179 544 H SER 75 H SER 75 -5.870 16.122 -32.062 545 HA SER 75 HA SER 75 -5.049 18.907 -31.582 546 HB2 SER 75 2HB SER 75 -5.018 17.234 -33.928 547 HB3 SER 75 3HB SER 75 -6.022 18.654 -34.218 548 HG SER 75 HG SER 75 -4.292 19.841 -34.243 549 H PHE 76 H PHE 76 -6.533 20.481 -31.372 550 HA PHE 76 HA PHE 76 -9.271 20.081 -32.228 551 HB2 PHE 76 2HB PHE 76 -9.940 20.871 -29.782 552 HB3 PHE 76 3HB PHE 76 -9.748 19.166 -30.177 553 HD1 PHE 76 HD1 PHE 76 -7.690 17.970 -29.511 554 HD2 PHE 76 HD2 PHE 76 -8.487 21.959 -28.260 555 HE1 PHE 76 HE1 PHE 76 -5.998 17.748 -27.739 556 HE2 PHE 76 HE2 PHE 76 -6.795 21.745 -26.487 557 HZ PHE 76 HZ PHE 76 -5.548 19.638 -26.225 558 H ASP 77 H ASP 77 -10.617 22.079 -31.600 559 HA ASP 77 HA ASP 77 -8.912 24.469 -31.864 560 HB2 ASP 77 2HB ASP 77 -10.876 25.483 -33.075 561 HB3 ASP 77 3HB ASP 77 -10.088 24.156 -33.924 562 H VAL 78 H VAL 78 -9.601 26.390 -30.833 563 HA VAL 78 HA VAL 78 -11.537 25.952 -28.652 564 HB VAL 78 HB VAL 78 -9.170 26.165 -27.886 565 HG11 VAL 78 1HG1 VAL 78 -9.258 29.079 -28.478 566 HG12 VAL 78 2HG1 VAL 78 -7.871 28.009 -28.264 567 HG13 VAL 78 3HG1 VAL 78 -8.791 27.972 -29.769 568 HG21 VAL 78 3HG2 VAL 78 -9.989 26.992 -25.987 569 HG22 VAL 78 1HG2 VAL 78 -10.238 28.580 -26.714 570 HG23 VAL 78 2HG2 VAL 78 -11.479 27.336 -26.865 571 H LEU 79 H LEU 79 -12.980 27.583 -28.168 572 HA LEU 79 HA LEU 79 -12.910 30.007 -29.813 573 HB2 LEU 79 2HB LEU 79 -14.532 27.923 -30.471 574 HB3 LEU 79 3HB LEU 79 -15.588 28.868 -29.423 575 HG LEU 79 HG LEU 79 -14.986 30.852 -30.940 576 HD11 LEU 79 1HD1 LEU 79 -13.885 30.541 -32.876 577 HD12 LEU 79 2HD1 LEU 79 -14.569 28.936 -33.133 578 HD13 LEU 79 3HD1 LEU 79 -13.204 29.148 -32.036 579 HD21 LEU 79 3HD2 LEU 79 -16.944 28.784 -31.125 580 HD22 LEU 79 1HD2 LEU 79 -16.526 29.330 -32.749 581 HD23 LEU 79 2HD2 LEU 79 -17.088 30.491 -31.547 582 H VAL 80 H VAL 80 -13.069 31.721 -28.542 583 HA VAL 80 HA VAL 80 -14.241 31.422 -25.875 584 HB VAL 80 HB VAL 80 -12.028 32.384 -25.895 585 HG11 VAL 80 1HG1 VAL 80 -11.653 34.609 -26.985 586 HG12 VAL 80 2HG1 VAL 80 -11.879 33.264 -28.106 587 HG13 VAL 80 3HG1 VAL 80 -13.199 34.396 -27.806 588 HG21 VAL 80 3HG2 VAL 80 -12.441 34.427 -24.663 589 HG22 VAL 80 1HG2 VAL 80 -14.061 34.545 -25.351 590 HG23 VAL 80 2HG2 VAL 80 -13.665 33.226 -24.249 591 H SER 81 H SER 81 -16.030 32.488 -25.216 592 HA SER 81 HA SER 81 -17.350 34.236 -27.189 593 HB2 SER 81 2HB SER 81 -18.316 31.920 -25.713 594 HB3 SER 81 3HB SER 81 -19.336 33.336 -25.456 595 HG SER 81 HG SER 81 -19.542 31.790 -27.445 596 HA PRO 82 HA PRO 82 -17.545 37.502 -24.268 597 HB2 PRO 82 2HB PRO 82 -20.013 38.542 -24.711 598 HB3 PRO 82 3HB PRO 82 -18.675 38.725 -25.851 599 HG2 PRO 82 2HG PRO 82 -20.958 36.790 -25.905 600 HG3 PRO 82 3HG PRO 82 -20.254 37.727 -27.236 601 HD2 PRO 82 2HD PRO 82 -19.675 35.113 -26.828 602 HD3 PRO 82 3HD PRO 82 -18.500 36.256 -27.510 603 H LYS 83 H LYS 83 -17.747 37.381 -22.131 604 HA LYS 83 HA LYS 83 -19.314 35.545 -20.755 605 HB2 LYS 83 2HB LYS 83 -17.409 36.566 -19.695 606 HB3 LYS 83 3HB LYS 83 -18.124 38.166 -19.839 607 HG2 LYS 83 2HG LYS 83 -19.725 37.717 -18.180 608 HG3 LYS 83 3HG LYS 83 -19.415 35.980 -18.238 609 HD2 LYS 83 2HD LYS 83 -16.952 37.187 -17.645 610 HD3 LYS 83 3HD LYS 83 -18.148 38.008 -16.640 611 HE2 LYS 83 2HE LYS 83 -18.966 35.757 -15.923 612 HE3 LYS 83 3HE LYS 83 -17.606 35.046 -16.791 613 HZ1 LYS 83 3HZ LYS 83 -17.497 36.864 -14.450 614 HZ2 LYS 83 1HZ LYS 83 -16.138 36.455 -15.372 615 HZ3 LYS 83 2HZ LYS 83 -16.981 35.255 -14.531 616 H ALA 84 H ALA 84 -21.274 35.634 -19.704 617 HA ALA 84 HA ALA 84 -22.853 38.055 -19.720 618 HB1 ALA 84 1HB ALA 84 -24.727 37.071 -20.976 619 HB2 ALA 84 2HB ALA 84 -23.279 37.257 -21.967 620 HB3 ALA 84 3HB ALA 84 -23.724 35.668 -21.344 621 H ALA 85 H ALA 85 -21.854 36.509 -17.620 622 HA ALA 85 HA ALA 85 -24.099 34.921 -16.637 623 HB1 ALA 85 1HB ALA 85 -22.617 34.213 -14.865 624 HB2 ALA 85 2HB ALA 85 -21.807 34.034 -16.423 625 HB3 ALA 85 3HB ALA 85 -21.404 35.390 -15.370 626 H LEU 86 H LEU 86 -23.072 38.097 -16.552 627 HA LEU 86 HA LEU 86 -23.637 39.924 -15.322 628 HB2 LEU 86 2HB LEU 86 -25.906 38.155 -15.294 629 HB3 LEU 86 3HB LEU 86 -25.826 39.075 -13.793 630 HG LEU 86 HG LEU 86 -25.420 40.874 -15.960 631 HD11 LEU 86 1HD1 LEU 86 -26.488 39.376 -17.460 632 HD12 LEU 86 2HD1 LEU 86 -27.676 40.604 -17.025 633 HD13 LEU 86 3HD1 LEU 86 -27.754 39.003 -16.290 634 HD21 LEU 86 3HD2 LEU 86 -27.524 40.429 -13.869 635 HD22 LEU 86 1HD2 LEU 86 -27.666 41.721 -15.061 636 HD23 LEU 86 2HD2 LEU 86 -26.293 41.690 -13.954 637 H ASN 87 H ASN 87 -24.364 40.559 -12.915 638 HA ASN 87 HA ASN 87 -23.090 38.799 -10.966 639 HB2 ASN 87 2HB ASN 87 -21.965 41.330 -11.943 640 HB3 ASN 87 3HB ASN 87 -22.081 41.231 -10.189 641 HD21 ASN 87 1HD2 ASN 87 -21.467 38.821 -9.478 642 HD22 ASN 87 2HD2 ASN 87 -19.919 38.322 -10.060 643 H ASP 88 H ASP 88 -23.951 38.940 -8.948 644 HA ASP 88 HA ASP 88 -25.926 41.069 -8.464 645 HB2 ASP 88 2HB ASP 88 -26.297 38.243 -7.485 646 HB3 ASP 88 3HB ASP 88 -27.488 39.539 -7.561 647 H GLU 89 H GLU 89 -26.602 40.929 -6.005 648 HA GLU 89 HA GLU 89 -25.987 41.310 -3.848 649 HB2 GLU 89 2HB GLU 89 -24.928 38.840 -4.505 650 HB3 GLU 89 3HB GLU 89 -23.550 39.703 -3.838 651 HG2 GLU 89 2HG GLU 89 -24.897 40.218 -1.830 652 HG3 GLU 89 3HG GLU 89 -26.200 39.233 -2.494 Start of MODEL 9 1 H SER 1 H SER 1 2.880 -0.120 -1.175 2 HA SER 1 HA SER 1 5.531 -0.322 -2.440 3 HB2 SER 1 2HB SER 1 3.788 -1.398 -4.303 4 HB3 SER 1 3HB SER 1 4.881 -2.313 -3.265 5 HG SER 1 HG SER 1 3.248 -2.807 -1.945 6 HA PRO 2 HA PRO 2 4.499 3.205 -4.834 7 HB2 PRO 2 2HB PRO 2 5.582 2.611 -7.252 8 HB3 PRO 2 3HB PRO 2 6.559 3.012 -5.834 9 HG2 PRO 2 2HG PRO 2 5.897 0.327 -6.980 10 HG3 PRO 2 3HG PRO 2 7.446 0.929 -6.361 11 HD2 PRO 2 2HD PRO 2 5.819 -0.674 -4.906 12 HD3 PRO 2 3HD PRO 2 6.853 0.563 -4.164 13 H LYS 3 H LYS 3 2.938 4.013 -6.178 14 HA LYS 3 HA LYS 3 1.224 2.034 -7.530 15 HB2 LYS 3 2HB LYS 3 0.028 3.077 -5.725 16 HB3 LYS 3 3HB LYS 3 0.530 4.679 -6.248 17 HG2 LYS 3 2HG LYS 3 -1.197 4.855 -7.626 18 HG3 LYS 3 3HG LYS 3 -0.857 3.286 -8.359 19 HD2 LYS 3 2HD LYS 3 -2.950 2.935 -7.450 20 HD3 LYS 3 3HD LYS 3 -1.899 2.345 -6.161 21 HE2 LYS 3 2HE LYS 3 -2.514 3.981 -4.750 22 HE3 LYS 3 3HE LYS 3 -2.500 5.209 -6.014 23 HZ1 LYS 3 3HZ LYS 3 -4.640 3.681 -6.659 24 HZ2 LYS 3 1HZ LYS 3 -4.705 5.149 -5.821 25 HZ3 LYS 3 2HZ LYS 3 -4.699 3.688 -4.969 26 H THR 4 H THR 4 1.767 2.042 -9.625 27 HA THR 4 HA THR 4 1.920 4.653 -10.987 28 HB THR 4 HB THR 4 3.276 2.991 -12.677 29 HG1 THR 4 HG1 THR 4 4.512 1.610 -11.521 30 HG21 THR 4 3HG2 THR 4 5.283 4.023 -11.088 31 HG22 THR 4 1HG2 THR 4 3.925 5.104 -10.780 32 HG23 THR 4 2HG2 THR 4 4.495 4.853 -12.430 33 H ILE 5 H ILE 5 1.442 4.478 -13.369 34 HA ILE 5 HA ILE 5 -0.769 2.577 -13.795 35 HB ILE 5 HB ILE 5 -1.777 4.205 -15.302 36 HG12 ILE 5 2HG1 ILE 5 -0.572 6.619 -14.852 37 HG13 ILE 5 3HG1 ILE 5 0.819 5.542 -14.924 38 HG21 ILE 5 1HG2 ILE 5 -2.073 6.090 -13.513 39 HG22 ILE 5 2HG2 ILE 5 -2.681 4.465 -13.206 40 HG23 ILE 5 3HG2 ILE 5 -1.155 4.984 -12.492 41 HD11 ILE 5 3HD1 ILE 5 -0.849 6.549 -17.047 42 HD12 ILE 5 1HD1 ILE 5 0.724 5.756 -17.124 43 HD13 ILE 5 2HD1 ILE 5 -0.750 4.789 -17.079 44 H LEU 6 H LEU 6 -1.231 2.358 -16.264 45 HA LEU 6 HA LEU 6 1.147 2.394 -17.918 46 HB2 LEU 6 2HB LEU 6 0.469 0.081 -16.466 47 HB3 LEU 6 3HB LEU 6 0.014 -0.231 -18.140 48 HG LEU 6 HG LEU 6 2.209 -1.075 -17.842 49 HD11 LEU 6 1HD1 LEU 6 3.325 -0.025 -19.576 50 HD12 LEU 6 2HD1 LEU 6 2.763 1.579 -19.105 51 HD13 LEU 6 3HD1 LEU 6 1.648 0.442 -19.863 52 HD21 LEU 6 3HD2 LEU 6 3.860 -0.141 -16.607 53 HD22 LEU 6 1HD2 LEU 6 2.498 0.659 -15.823 54 HD23 LEU 6 2HD2 LEU 6 3.423 1.506 -17.063 55 H GLY 7 H GLY 7 -2.235 1.406 -17.561 56 HA2 GLY 7 2HA GLY 7 -2.653 1.576 -20.441 57 HA3 GLY 7 3HA GLY 7 -3.834 1.063 -19.245 58 H ILE 8 H ILE 8 -3.935 3.056 -21.482 59 HA ILE 8 HA ILE 8 -5.037 5.258 -19.883 60 HB ILE 8 HB ILE 8 -3.327 5.616 -22.347 61 HG12 ILE 8 2HG1 ILE 8 -2.883 6.379 -19.453 62 HG13 ILE 8 3HG1 ILE 8 -1.990 5.166 -20.364 63 HG21 ILE 8 1HG2 ILE 8 -4.766 7.665 -20.666 64 HG22 ILE 8 2HG2 ILE 8 -3.662 8.016 -21.994 65 HG23 ILE 8 3HG2 ILE 8 -5.187 7.188 -22.310 66 HD11 ILE 8 3HD1 ILE 8 -1.421 7.161 -21.929 67 HD12 ILE 8 1HD1 ILE 8 -1.854 8.136 -20.525 68 HD13 ILE 8 2HD1 ILE 8 -0.552 6.951 -20.409 69 H GLU 9 H GLU 9 -6.857 6.244 -20.727 70 HA GLU 9 HA GLU 9 -7.880 5.222 -23.282 71 HB2 GLU 9 2HB GLU 9 -8.928 4.630 -20.666 72 HB3 GLU 9 3HB GLU 9 -10.114 5.538 -21.593 73 HG2 GLU 9 2HG GLU 9 -9.618 3.838 -23.466 74 HG3 GLU 9 3HG GLU 9 -8.912 2.865 -22.177 75 H VAL 10 H VAL 10 -8.563 6.799 -24.568 76 HA VAL 10 HA VAL 10 -8.540 9.517 -23.720 77 HB VAL 10 HB VAL 10 -7.918 9.022 -25.985 78 HG11 VAL 10 1HG1 VAL 10 -10.401 8.372 -27.208 79 HG12 VAL 10 2HG1 VAL 10 -8.914 7.423 -27.158 80 HG13 VAL 10 3HG1 VAL 10 -10.121 7.242 -25.884 81 HG21 VAL 10 3HG2 VAL 10 -10.492 10.292 -26.609 82 HG22 VAL 10 1HG2 VAL 10 -9.602 11.029 -25.276 83 HG23 VAL 10 2HG2 VAL 10 -8.846 10.874 -26.862 84 H SER 11 H SER 11 -10.081 10.429 -22.543 85 HA SER 11 HA SER 11 -12.887 9.791 -23.166 86 HB2 SER 11 2HB SER 11 -11.523 9.275 -20.728 87 HB3 SER 11 3HB SER 11 -12.653 10.595 -20.428 88 HG SER 11 HG SER 11 -14.133 9.060 -21.714 89 H GLN 12 H GLN 12 -10.890 12.026 -23.791 90 HA GLN 12 HA GLN 12 -12.151 14.318 -22.526 91 HB2 GLN 12 2HB GLN 12 -10.491 15.622 -23.877 92 HB3 GLN 12 3HB GLN 12 -9.775 14.462 -22.766 93 HG2 GLN 12 2HG GLN 12 -10.260 13.365 -25.420 94 HG3 GLN 12 3HG GLN 12 -9.160 14.742 -25.418 95 HE21 GLN 12 1HE2 GLN 12 -7.380 13.507 -25.949 96 HE22 GLN 12 2HE2 GLN 12 -6.644 12.407 -24.840 97 H GLU 13 H GLU 13 -13.678 15.559 -23.422 98 HA GLU 13 HA GLU 13 -14.488 14.940 -26.180 99 HB2 GLU 13 2HB GLU 13 -15.961 15.585 -23.711 100 HB3 GLU 13 3HB GLU 13 -16.558 16.387 -25.157 101 HG2 GLU 13 2HG GLU 13 -16.353 13.925 -26.131 102 HG3 GLU 13 3HG GLU 13 -16.574 13.521 -24.430 103 HA PRO 14 HA PRO 14 -13.450 18.956 -27.611 104 HB2 PRO 14 2HB PRO 14 -15.415 19.403 -29.431 105 HB3 PRO 14 3HB PRO 14 -14.100 18.253 -29.700 106 HG2 PRO 14 2HG PRO 14 -16.908 17.741 -28.798 107 HG3 PRO 14 3HG PRO 14 -15.931 16.847 -29.977 108 HD2 PRO 14 2HD PRO 14 -16.280 15.997 -27.430 109 HD3 PRO 14 3HD PRO 14 -14.788 15.693 -28.341 110 H LYS 15 H LYS 15 -13.708 20.932 -26.787 111 HA LYS 15 HA LYS 15 -16.198 22.245 -26.532 112 HB2 LYS 15 2HB LYS 15 -16.600 20.816 -24.650 113 HB3 LYS 15 3HB LYS 15 -14.989 21.111 -24.009 114 HG2 LYS 15 2HG LYS 15 -15.720 22.847 -22.852 115 HG3 LYS 15 3HG LYS 15 -16.361 23.601 -24.313 116 HD2 LYS 15 2HD LYS 15 -18.225 21.688 -23.874 117 HD3 LYS 15 3HD LYS 15 -17.733 22.051 -22.218 118 HE2 LYS 15 2HE LYS 15 -17.977 24.547 -23.205 119 HE3 LYS 15 3HE LYS 15 -19.182 23.711 -24.182 120 HZ1 LYS 15 3HZ LYS 15 -20.433 24.269 -22.383 121 HZ2 LYS 15 1HZ LYS 15 -19.138 24.194 -21.295 122 HZ3 LYS 15 2HZ LYS 15 -19.864 22.769 -21.846 123 H LYS 16 H LYS 16 -13.540 22.400 -24.206 124 HA LYS 16 HA LYS 16 -12.208 24.161 -23.604 125 HB2 LYS 16 2HB LYS 16 -11.714 23.454 -26.370 126 HB3 LYS 16 3HB LYS 16 -11.334 25.145 -26.074 127 HG2 LYS 16 2HG LYS 16 -10.325 23.147 -24.129 128 HG3 LYS 16 3HG LYS 16 -9.560 23.216 -25.719 129 HD2 LYS 16 2HD LYS 16 -8.407 24.647 -24.098 130 HD3 LYS 16 3HD LYS 16 -9.110 25.592 -25.413 131 HE2 LYS 16 2HE LYS 16 -10.995 26.191 -23.999 132 HE3 LYS 16 3HE LYS 16 -10.356 25.193 -22.694 133 HZ1 LYS 16 3HZ LYS 16 -9.913 27.769 -22.807 134 HZ2 LYS 16 1HZ LYS 16 -8.621 27.278 -23.783 135 HZ3 LYS 16 2HZ LYS 16 -8.752 26.701 -22.199 136 H ASP 17 H ASP 17 -14.305 25.277 -23.021 137 HA ASP 17 HA ASP 17 -14.506 27.788 -24.547 138 HB2 ASP 17 2HB ASP 17 -16.588 25.875 -23.872 139 HB3 ASP 17 3HB ASP 17 -16.954 27.483 -23.253 140 H TYR 18 H TYR 18 -13.949 29.501 -23.390 141 HA TYR 18 HA TYR 18 -14.621 29.629 -20.555 142 HB2 TYR 18 2HB TYR 18 -12.487 29.823 -19.742 143 HB3 TYR 18 3HB TYR 18 -12.175 28.737 -21.091 144 HD1 TYR 18 HD1 TYR 18 -11.293 29.704 -23.248 145 HD2 TYR 18 HD2 TYR 18 -11.484 31.956 -19.643 146 HE1 TYR 18 HE1 TYR 18 -9.671 31.307 -24.171 147 HE2 TYR 18 HE2 TYR 18 -9.864 33.566 -20.556 148 HH TYR 18 HH TYR 18 -8.108 33.643 -22.262 149 H LEU 19 H LEU 19 -14.614 31.761 -19.695 150 HA LEU 19 HA LEU 19 -14.952 33.808 -21.764 151 HB2 LEU 19 2HB LEU 19 -16.392 34.920 -20.337 152 HB3 LEU 19 3HB LEU 19 -16.728 33.224 -20.000 153 HG LEU 19 HG LEU 19 -14.774 33.918 -18.150 154 HD11 LEU 19 1HD1 LEU 19 -15.378 36.309 -18.909 155 HD12 LEU 19 2HD1 LEU 19 -15.317 35.954 -17.184 156 HD13 LEU 19 3HD1 LEU 19 -16.872 36.047 -18.009 157 HD21 LEU 19 3HD2 LEU 19 -16.359 33.298 -16.603 158 HD22 LEU 19 1HD2 LEU 19 -17.003 32.556 -18.068 159 HD23 LEU 19 2HD2 LEU 19 -17.678 34.076 -17.480 160 H VAL 20 H VAL 20 -14.142 35.968 -21.390 161 HA VAL 20 HA VAL 20 -11.443 36.111 -20.843 162 HB VAL 20 HB VAL 20 -11.817 38.597 -20.548 163 HG11 VAL 20 1HG1 VAL 20 -13.246 38.175 -23.005 164 HG12 VAL 20 2HG1 VAL 20 -11.572 38.674 -22.756 165 HG13 VAL 20 3HG1 VAL 20 -11.983 36.960 -22.814 166 HG21 VAL 20 3HG2 VAL 20 -14.067 38.464 -19.588 167 HG22 VAL 20 1HG2 VAL 20 -14.041 39.468 -21.038 168 HG23 VAL 20 2HG2 VAL 20 -14.679 37.825 -21.114 169 H GLY 21 H GLY 21 -10.209 36.333 -19.068 170 HA2 GLY 21 2HA GLY 21 -9.714 37.036 -16.868 171 HA3 GLY 21 3HA GLY 21 -11.437 37.177 -16.551 172 H ASP 22 H ASP 22 -10.897 34.302 -18.120 173 HA ASP 22 HA ASP 22 -10.774 32.847 -15.561 174 HB2 ASP 22 2HB ASP 22 -12.768 32.786 -17.504 175 HB3 ASP 22 3HB ASP 22 -11.847 31.312 -17.785 176 H SER 23 H SER 23 -9.402 33.250 -18.694 177 HA SER 23 HA SER 23 -7.579 32.352 -19.717 178 HB2 SER 23 2HB SER 23 -6.625 30.896 -17.325 179 HB3 SER 23 3HB SER 23 -5.768 32.018 -18.381 180 HG SER 23 HG SER 23 -6.253 32.731 -16.148 181 H LEU 24 H LEU 24 -6.234 29.987 -19.502 182 HA LEU 24 HA LEU 24 -7.788 28.181 -20.870 183 HB2 LEU 24 2HB LEU 24 -5.180 28.259 -19.814 184 HB3 LEU 24 3HB LEU 24 -5.896 26.745 -19.266 185 HG LEU 24 HG LEU 24 -5.815 27.597 -22.156 186 HD11 LEU 24 1HD1 LEU 24 -3.553 27.260 -20.965 187 HD12 LEU 24 2HD1 LEU 24 -3.851 26.405 -22.478 188 HD13 LEU 24 3HD1 LEU 24 -3.997 25.553 -20.941 189 HD21 LEU 24 3HD2 LEU 24 -7.196 25.559 -20.788 190 HD22 LEU 24 1HD2 LEU 24 -5.885 24.780 -21.675 191 HD23 LEU 24 2HD2 LEU 24 -7.048 25.792 -22.531 192 H ASP 25 H ASP 25 -9.272 26.685 -20.375 193 HA ASP 25 HA ASP 25 -9.630 25.938 -17.554 194 HB2 ASP 25 2HB ASP 25 -11.344 27.548 -17.898 195 HB3 ASP 25 3HB ASP 25 -11.744 26.891 -19.483 196 H LEU 26 H LEU 26 -11.541 25.122 -20.417 197 HA LEU 26 HA LEU 26 -12.147 23.105 -21.289 198 HB2 LEU 26 2HB LEU 26 -9.890 23.315 -22.193 199 HB3 LEU 26 3HB LEU 26 -9.235 22.534 -20.756 200 HG LEU 26 HG LEU 26 -10.248 20.441 -21.363 201 HD11 LEU 26 1HD1 LEU 26 -12.241 20.646 -22.382 202 HD12 LEU 26 2HD1 LEU 26 -11.275 20.594 -23.857 203 HD13 LEU 26 3HD1 LEU 26 -11.792 22.145 -23.196 204 HD21 LEU 26 3HD2 LEU 26 -9.261 20.340 -23.831 205 HD22 LEU 26 1HD2 LEU 26 -8.229 20.426 -22.404 206 HD23 LEU 26 2HD2 LEU 26 -8.569 21.885 -23.334 207 H SER 27 H SER 27 -13.556 22.466 -19.630 208 HA SER 27 HA SER 27 -12.443 20.627 -17.625 209 HB2 SER 27 2HB SER 27 -14.482 22.654 -17.524 210 HB3 SER 27 3HB SER 27 -15.179 21.092 -17.091 211 HG SER 27 HG SER 27 -13.904 20.976 -15.367 212 H GLU 28 H GLU 28 -13.564 20.404 -20.612 213 HA GLU 28 HA GLU 28 -15.277 18.068 -20.125 214 HB2 GLU 28 2HB GLU 28 -15.067 20.061 -22.310 215 HB3 GLU 28 3HB GLU 28 -15.448 18.413 -22.789 216 HG2 GLU 28 2HG GLU 28 -16.984 19.813 -20.632 217 HG3 GLU 28 3HG GLU 28 -17.384 20.012 -22.337 218 H GLY 29 H GLY 29 -12.133 18.952 -21.020 219 HA2 GLY 29 2HA GLY 29 -11.665 16.469 -22.508 220 HA3 GLY 29 3HA GLY 29 -10.546 17.818 -22.372 221 H ARG 30 H ARG 30 -11.876 15.015 -20.729 222 HA ARG 30 HA ARG 30 -9.598 15.110 -18.862 223 HB2 ARG 30 2HB ARG 30 -10.925 13.998 -17.218 224 HB3 ARG 30 3HB ARG 30 -11.876 15.344 -17.830 225 HG2 ARG 30 2HG ARG 30 -12.476 13.084 -19.422 226 HG3 ARG 30 3HG ARG 30 -12.547 12.589 -17.730 227 HD2 ARG 30 2HD ARG 30 -14.080 14.400 -17.234 228 HD3 ARG 30 3HD ARG 30 -13.956 14.989 -18.892 229 HE ARG 30 HE ARG 30 -14.819 12.304 -18.890 230 HH11 ARG 30 1HH1 ARG 30 -15.930 15.516 -18.138 231 HH12 ARG 30 2HH1 ARG 30 -17.594 15.158 -18.463 232 HH21 ARG 30 1HH2 ARG 30 -17.006 11.819 -19.320 233 HH22 ARG 30 2HH2 ARG 30 -18.205 13.054 -19.134 234 H PHE 31 H PHE 31 -8.615 13.098 -18.292 235 HA PHE 31 HA PHE 31 -9.049 10.968 -20.280 236 HB2 PHE 31 2HB PHE 31 -6.700 10.556 -20.382 237 HB3 PHE 31 3HB PHE 31 -6.917 12.293 -20.573 238 HD1 PHE 31 HD2 PHE 31 -6.757 13.688 -18.365 239 HD2 PHE 31 HD1 PHE 31 -5.150 9.779 -18.872 240 HE1 PHE 31 HE2 PHE 31 -5.207 14.086 -16.497 241 HE2 PHE 31 HE1 PHE 31 -3.598 10.171 -17.004 242 HZ PHE 31 HZ PHE 31 -3.624 12.327 -15.814 243 H ALA 32 H ALA 32 -8.766 8.821 -19.588 244 HA ALA 32 HA ALA 32 -8.991 8.482 -16.673 245 HB1 ALA 32 1HB ALA 32 -10.403 6.689 -17.001 246 HB2 ALA 32 2HB ALA 32 -10.845 7.743 -18.345 247 HB3 ALA 32 3HB ALA 32 -9.785 6.361 -18.620 248 H VAL 33 H VAL 33 -7.277 7.679 -15.673 249 HA VAL 33 HA VAL 33 -5.396 6.009 -17.207 250 HB VAL 33 HB VAL 33 -4.519 8.165 -16.253 251 HG11 VAL 33 1HG1 VAL 33 -5.905 7.506 -14.024 252 HG12 VAL 33 2HG1 VAL 33 -4.281 6.982 -13.572 253 HG13 VAL 33 3HG1 VAL 33 -4.566 8.654 -14.057 254 HG21 VAL 33 3HG2 VAL 33 -2.939 6.498 -16.837 255 HG22 VAL 33 1HG2 VAL 33 -2.484 7.069 -15.232 256 HG23 VAL 33 2HG2 VAL 33 -3.326 5.531 -15.414 257 H ALA 34 H ALA 34 -4.851 4.011 -16.494 258 HA ALA 34 HA ALA 34 -6.290 3.022 -14.126 259 HB1 ALA 34 1HB ALA 34 -6.042 2.003 -16.755 260 HB2 ALA 34 2HB ALA 34 -5.216 0.886 -15.668 261 HB3 ALA 34 3HB ALA 34 -6.905 1.304 -15.385 262 H TYR 35 H TYR 35 -5.181 2.402 -12.388 263 HA TYR 35 HA TYR 35 -2.275 2.453 -12.484 264 HB2 TYR 35 2HB TYR 35 -4.173 2.157 -10.147 265 HB3 TYR 35 3HB TYR 35 -2.425 2.313 -10.019 266 HD1 TYR 35 HD1 TYR 35 -5.459 4.085 -11.238 267 HD2 TYR 35 HD2 TYR 35 -1.430 4.429 -9.915 268 HE1 TYR 35 HE1 TYR 35 -5.689 6.533 -11.197 269 HE2 TYR 35 HE2 TYR 35 -1.649 6.878 -9.869 270 HH TYR 35 HH TYR 35 -3.063 8.605 -10.033 271 H SER 36 H SER 36 -0.963 0.758 -11.649 272 HA SER 36 HA SER 36 -1.755 -1.824 -12.508 273 HB2 SER 36 2HB SER 36 0.420 -2.535 -11.901 274 HB3 SER 36 3HB SER 36 0.617 -0.857 -12.406 275 HG SER 36 HG SER 36 0.586 -0.272 -10.196 276 H ASN 37 H ASN 37 -2.335 -0.134 -9.651 277 HA ASN 37 HA ASN 37 -2.575 -2.543 -8.015 278 HB2 ASN 37 2HB ASN 37 -1.619 -0.198 -7.274 279 HB3 ASN 37 3HB ASN 37 -3.321 0.179 -7.022 280 HD21 ASN 37 1HD2 ASN 37 -0.869 -2.250 -6.252 281 HD22 ASN 37 2HD2 ASN 37 -1.477 -2.617 -4.677 282 H ASP 38 H ASP 38 -4.360 -1.846 -10.323 283 HA ASP 38 HA ASP 38 -6.558 -2.048 -10.870 284 HB2 ASP 38 2HB ASP 38 -6.348 -3.979 -9.241 285 HB3 ASP 38 3HB ASP 38 -7.024 -2.910 -8.014 286 H THR 39 H THR 39 -6.272 0.392 -10.845 287 HA THR 39 HA THR 39 -8.490 1.525 -9.352 288 HB THR 39 HB THR 39 -6.372 3.442 -9.175 289 HG1 THR 39 HG1 THR 39 -5.804 1.052 -7.746 290 HG21 THR 39 3HG2 THR 39 -7.121 3.682 -6.993 291 HG22 THR 39 1HG2 THR 39 -7.530 1.974 -6.836 292 HG23 THR 39 2HG2 THR 39 -8.548 3.040 -7.805 293 H MET 40 H MET 40 -9.199 3.574 -10.180 294 HA MET 40 HA MET 40 -8.016 4.402 -12.727 295 HB2 MET 40 2HB MET 40 -10.906 3.641 -12.304 296 HB3 MET 40 3HB MET 40 -10.351 4.586 -13.680 297 HG2 MET 40 2HG MET 40 -8.821 2.705 -14.258 298 HG3 MET 40 3HG MET 40 -9.591 1.763 -12.983 299 HE1 MET 40 3HE MET 40 -9.032 1.510 -16.013 300 HE2 MET 40 1HE MET 40 -10.177 0.169 -16.009 301 HE3 MET 40 2HE MET 40 -10.427 1.538 -17.092 302 H GLU 41 H GLU 41 -7.945 6.556 -12.979 303 HA GLU 41 HA GLU 41 -9.673 8.224 -11.285 304 HB2 GLU 41 2HB GLU 41 -6.705 8.616 -11.707 305 HB3 GLU 41 3HB GLU 41 -7.765 9.741 -10.870 306 HG2 GLU 41 2HG GLU 41 -7.522 6.902 -9.965 307 HG3 GLU 41 3HG GLU 41 -6.334 8.114 -9.489 308 H GLU 42 H GLU 42 -10.557 9.944 -12.281 309 HA GLU 42 HA GLU 42 -9.620 10.556 -15.008 310 HB2 GLU 42 2HB GLU 42 -11.876 11.021 -15.661 311 HB3 GLU 42 3HB GLU 42 -11.859 9.445 -14.882 312 HG2 GLU 42 2HG GLU 42 -12.671 10.484 -12.808 313 HG3 GLU 42 3HG GLU 42 -12.746 12.038 -13.638 314 H HIS 43 H HIS 43 -9.163 12.624 -15.497 315 HA HIS 43 HA HIS 43 -10.118 14.777 -13.780 316 HB2 HIS 43 2HB HIS 43 -7.171 14.519 -14.376 317 HB3 HIS 43 3HB HIS 43 -7.957 15.659 -13.287 318 HD1 HIS 43 HD1 HIS 43 -9.202 14.412 -11.161 319 HD2 HIS 43 HD2 HIS 43 -6.179 12.340 -13.118 320 HE1 HIS 43 HE1 HIS 43 -8.469 12.618 -9.557 321 H SER 44 H SER 44 -10.294 16.734 -14.808 322 HA SER 44 HA SER 44 -9.688 16.711 -17.688 323 HB2 SER 44 2HB SER 44 -11.591 17.985 -18.081 324 HB3 SER 44 3HB SER 44 -12.115 16.983 -16.727 325 HG SER 44 HG SER 44 -12.029 18.680 -15.410 326 H PHE 45 H PHE 45 -8.151 18.020 -18.403 327 HA PHE 45 HA PHE 45 -6.439 19.538 -18.345 328 HB2 PHE 45 2HB PHE 45 -8.466 20.879 -18.992 329 HB3 PHE 45 3HB PHE 45 -8.606 21.371 -17.308 330 HD1 PHE 45 HD1 PHE 45 -6.186 21.356 -20.135 331 HD2 PHE 45 HD2 PHE 45 -7.534 23.283 -16.587 332 HE1 PHE 45 HE1 PHE 45 -4.623 23.209 -20.552 333 HE2 PHE 45 HE2 PHE 45 -5.974 25.140 -16.999 334 HZ PHE 45 HZ PHE 45 -4.516 25.106 -18.984 335 H THR 46 H THR 46 -5.826 18.111 -16.341 336 HA THR 46 HA THR 46 -5.152 19.992 -14.202 337 HB THR 46 HB THR 46 -5.605 17.479 -12.953 338 HG1 THR 46 HG1 THR 46 -7.103 17.242 -14.797 339 HG21 THR 46 3HG2 THR 46 -6.803 20.225 -12.778 340 HG22 THR 46 1HG2 THR 46 -5.732 19.407 -11.641 341 HG23 THR 46 2HG2 THR 46 -7.416 18.903 -11.786 342 H ASP 47 H ASP 47 -4.772 16.537 -15.019 343 HA ASP 47 HA ASP 47 -2.292 16.134 -13.877 344 HB2 ASP 47 2HB ASP 47 -3.714 14.335 -14.802 345 HB3 ASP 47 3HB ASP 47 -3.321 14.878 -16.431 346 H GLU 48 H GLU 48 -0.172 16.295 -14.562 347 HA GLU 48 HA GLU 48 0.284 18.260 -16.673 348 HB2 GLU 48 2HB GLU 48 1.528 17.646 -14.165 349 HB3 GLU 48 3HB GLU 48 2.724 17.509 -15.446 350 HG2 GLU 48 2HG GLU 48 2.316 19.757 -16.156 351 HG3 GLU 48 3HG GLU 48 0.959 19.910 -15.043 352 H GLY 49 H GLY 49 -0.345 15.319 -17.070 353 HA2 GLY 49 2HA GLY 49 2.100 14.284 -18.249 354 HA3 GLY 49 3HA GLY 49 0.545 13.468 -18.183 355 H VAL 50 H VAL 50 -0.651 16.074 -19.273 356 HA VAL 50 HA VAL 50 -0.017 15.504 -22.092 357 HB VAL 50 HB VAL 50 -2.227 16.285 -22.672 358 HG11 VAL 50 1HG1 VAL 50 -1.692 14.002 -21.108 359 HG12 VAL 50 2HG1 VAL 50 -3.248 14.638 -20.572 360 HG13 VAL 50 3HG1 VAL 50 -2.995 14.241 -22.272 361 HG21 VAL 50 3HG2 VAL 50 -3.819 16.738 -20.675 362 HG22 VAL 50 1HG2 VAL 50 -2.333 17.085 -19.791 363 HG23 VAL 50 2HG2 VAL 50 -2.745 18.023 -21.226 364 H GLU 51 H GLU 51 0.641 17.105 -23.421 365 HA GLU 51 HA GLU 51 0.798 19.818 -22.281 366 HB2 GLU 51 2HB GLU 51 2.718 18.349 -24.085 367 HB3 GLU 51 3HB GLU 51 2.789 20.088 -23.835 368 HG2 GLU 51 2HG GLU 51 3.854 19.853 -21.907 369 HG3 GLU 51 3HG GLU 51 2.682 18.673 -21.323 370 H ILE 52 H ILE 52 -0.133 21.422 -23.384 371 HA ILE 52 HA ILE 52 -1.294 20.793 -26.001 372 HB ILE 52 HB ILE 52 -1.916 23.258 -24.402 373 HG12 ILE 52 2HG1 ILE 52 -2.244 21.384 -22.878 374 HG13 ILE 52 3HG1 ILE 52 -3.803 22.021 -23.388 375 HG21 ILE 52 1HG2 ILE 52 -3.031 23.581 -26.330 376 HG22 ILE 52 2HG2 ILE 52 -3.006 21.870 -26.754 377 HG23 ILE 52 3HG2 ILE 52 -4.204 22.478 -25.611 378 HD11 ILE 52 3HD1 ILE 52 -2.805 19.370 -23.578 379 HD12 ILE 52 1HD1 ILE 52 -4.398 19.990 -24.011 380 HD13 ILE 52 2HD1 ILE 52 -3.100 19.983 -25.205 381 H SER 53 H SER 53 -0.857 21.957 -27.818 382 HA SER 53 HA SER 53 0.950 24.255 -27.604 383 HB2 SER 53 2HB SER 53 1.778 21.696 -28.456 384 HB3 SER 53 3HB SER 53 1.660 22.683 -29.912 385 HG SER 53 HG SER 53 3.441 23.598 -29.315 386 H GLY 54 H GLY 54 0.543 25.865 -29.031 387 HA2 GLY 54 2HA GLY 54 -0.179 26.499 -31.298 388 HA3 GLY 54 3HA GLY 54 -1.465 25.313 -31.129 389 H TYR 55 H TYR 55 -1.972 26.099 -28.326 390 HA TYR 55 HA TYR 55 -3.791 28.265 -28.912 391 HB2 TYR 55 2HB TYR 55 -4.940 26.931 -27.494 392 HB3 TYR 55 3HB TYR 55 -3.476 26.242 -26.801 393 HD1 TYR 55 HD2 TYR 55 -2.397 27.291 -24.877 394 HD2 TYR 55 HD1 TYR 55 -5.989 28.879 -26.514 395 HE1 TYR 55 HE2 TYR 55 -2.723 28.636 -22.844 396 HE2 TYR 55 HE1 TYR 55 -6.324 30.229 -24.486 397 HH TYR 55 HH TYR 55 -5.435 30.899 -22.553 398 H ASP 56 H ASP 56 -3.546 30.347 -28.397 399 HA ASP 56 HA ASP 56 -1.044 31.203 -27.219 400 HB2 ASP 56 2HB ASP 56 -2.781 32.272 -29.121 401 HB3 ASP 56 3HB ASP 56 -2.960 33.327 -27.722 402 H ALA 57 H ALA 57 -0.779 31.533 -25.122 403 HA ALA 57 HA ALA 57 -3.043 31.596 -23.334 404 HB1 ALA 57 1HB ALA 57 -1.431 31.513 -21.557 405 HB2 ALA 57 2HB ALA 57 -0.951 30.365 -22.808 406 HB3 ALA 57 3HB ALA 57 -0.121 31.915 -22.668 407 H GLN 58 H GLN 58 -3.616 33.699 -24.661 408 HA GLN 58 HA GLN 58 -3.534 35.847 -22.878 409 HB2 GLN 58 2HB GLN 58 -1.169 35.635 -24.406 410 HB3 GLN 58 3HB GLN 58 -2.076 36.984 -25.076 411 HG2 GLN 58 2HG GLN 58 -1.595 36.730 -22.131 412 HG3 GLN 58 3HG GLN 58 -0.405 37.462 -23.206 413 HE21 GLN 58 1HE2 GLN 58 -3.483 37.804 -21.681 414 HE22 GLN 58 2HE2 GLN 58 -3.756 39.452 -22.120 415 H LYS 59 H LYS 59 -3.824 34.778 -26.207 416 HA LYS 59 HA LYS 59 -6.215 36.456 -26.475 417 HB2 LYS 59 2HB LYS 59 -3.756 36.640 -28.042 418 HB3 LYS 59 3HB LYS 59 -5.184 36.400 -29.041 419 HG2 LYS 59 2HG LYS 59 -6.080 38.424 -28.495 420 HG3 LYS 59 3HG LYS 59 -5.300 38.467 -26.912 421 HD2 LYS 59 2HD LYS 59 -3.533 39.574 -27.714 422 HD3 LYS 59 3HD LYS 59 -3.375 38.476 -29.087 423 HE2 LYS 59 2HE LYS 59 -4.682 39.772 -30.449 424 HE3 LYS 59 3HE LYS 59 -5.604 40.444 -29.106 425 HZ1 LYS 59 3HZ LYS 59 -2.901 41.228 -28.900 426 HZ2 LYS 59 1HZ LYS 59 -4.276 42.198 -29.072 427 HZ3 LYS 59 2HZ LYS 59 -3.477 41.612 -30.443 428 H THR 60 H THR 60 -7.784 34.977 -26.578 429 HA THR 60 HA THR 60 -7.356 32.555 -28.182 430 HB THR 60 HB THR 60 -9.764 32.143 -26.990 431 HG1 THR 60 HG1 THR 60 -8.279 33.318 -24.907 432 HG21 THR 60 3HG2 THR 60 -7.895 31.299 -25.082 433 HG22 THR 60 1HG2 THR 60 -7.038 31.282 -26.623 434 HG23 THR 60 2HG2 THR 60 -8.534 30.367 -26.435 435 H GLY 61 H GLY 61 -9.691 31.754 -29.017 436 HA2 GLY 61 2HA GLY 61 -11.794 32.740 -29.949 437 HA3 GLY 61 3HA GLY 61 -10.766 34.015 -30.588 438 H ARG 62 H ARG 62 -11.689 30.649 -30.877 439 HA ARG 62 HA ARG 62 -11.621 29.198 -32.627 440 HB2 ARG 62 2HB ARG 62 -12.331 31.473 -33.779 441 HB3 ARG 62 3HB ARG 62 -10.739 31.336 -34.514 442 HG2 ARG 62 2HG ARG 62 -12.236 28.854 -34.654 443 HG3 ARG 62 3HG ARG 62 -13.071 30.199 -35.435 444 HD2 ARG 62 2HD ARG 62 -10.591 30.601 -36.376 445 HD3 ARG 62 3HD ARG 62 -10.539 28.853 -36.153 446 HE ARG 62 HE ARG 62 -11.956 30.277 -38.173 447 HH11 ARG 62 1HH1 ARG 62 -12.045 27.424 -36.179 448 HH12 ARG 62 2HH1 ARG 62 -13.010 26.516 -37.295 449 HH21 ARG 62 1HH2 ARG 62 -13.227 29.091 -39.650 450 HH22 ARG 62 2HH2 ARG 62 -13.681 27.465 -39.269 451 H GLN 63 H GLN 63 -9.370 29.324 -31.049 452 HA GLN 63 HA GLN 63 -7.092 29.274 -32.888 453 HB2 GLN 63 2HB GLN 63 -6.968 28.907 -29.903 454 HB3 GLN 63 3HB GLN 63 -5.680 29.400 -30.993 455 HG2 GLN 63 2HG GLN 63 -8.122 31.032 -30.334 456 HG3 GLN 63 3HG GLN 63 -6.521 31.251 -29.629 457 HE21 GLN 63 1HE2 GLN 63 -7.879 33.274 -30.962 458 HE22 GLN 63 2HE2 GLN 63 -7.024 33.657 -32.413 459 H THR 64 H THR 64 -5.825 27.463 -33.199 460 HA THR 64 HA THR 64 -7.162 24.935 -32.763 461 HB THR 64 HB THR 64 -4.577 25.605 -34.179 462 HG1 THR 64 HG1 THR 64 -6.978 24.641 -35.334 463 HG21 THR 64 3HG2 THR 64 -5.101 23.204 -35.133 464 HG22 THR 64 1HG2 THR 64 -5.900 23.002 -33.574 465 HG23 THR 64 2HG2 THR 64 -4.185 23.405 -33.640 466 H LEU 65 H LEU 65 -6.446 23.242 -31.517 467 HA LEU 65 HA LEU 65 -4.069 23.702 -29.851 468 HB2 LEU 65 2HB LEU 65 -6.838 22.961 -28.972 469 HB3 LEU 65 3HB LEU 65 -5.428 22.523 -28.009 470 HG LEU 65 HG LEU 65 -5.045 25.206 -28.405 471 HD11 LEU 65 1HD1 LEU 65 -7.037 25.887 -29.286 472 HD12 LEU 65 2HD1 LEU 65 -7.415 26.001 -27.567 473 HD13 LEU 65 3HD1 LEU 65 -7.955 24.604 -28.498 474 HD21 LEU 65 3HD2 LEU 65 -6.447 25.063 -26.032 475 HD22 LEU 65 1HD2 LEU 65 -4.719 24.779 -26.242 476 HD23 LEU 65 2HD2 LEU 65 -5.844 23.421 -26.256 477 H THR 66 H THR 66 -2.797 21.953 -29.521 478 HA THR 66 HA THR 66 -3.802 19.327 -30.382 479 HB THR 66 HB THR 66 -0.986 19.574 -30.953 480 HG1 THR 66 HG1 THR 66 -0.929 21.368 -32.075 481 HG21 THR 66 3HG2 THR 66 -1.649 18.696 -33.099 482 HG22 THR 66 1HG2 THR 66 -3.329 19.141 -32.807 483 HG23 THR 66 2HG2 THR 66 -2.571 17.874 -31.841 484 H LEU 67 H LEU 67 -3.797 18.137 -28.586 485 HA LEU 67 HA LEU 67 -1.680 18.506 -26.604 486 HB2 LEU 67 2HB LEU 67 -3.069 17.514 -25.051 487 HB3 LEU 67 3HB LEU 67 -4.201 18.378 -26.088 488 HG LEU 67 HG LEU 67 -4.323 16.021 -27.296 489 HD11 LEU 67 1HD1 LEU 67 -2.773 15.463 -24.978 490 HD12 LEU 67 2HD1 LEU 67 -3.333 14.353 -26.229 491 HD13 LEU 67 3HD1 LEU 67 -4.338 14.667 -24.814 492 HD21 LEU 67 3HD2 LEU 67 -6.351 15.646 -26.180 493 HD22 LEU 67 1HD2 LEU 67 -6.112 17.392 -26.104 494 HD23 LEU 67 2HD2 LEU 67 -5.770 16.394 -24.691 495 H HIS 68 H HIS 68 -0.064 17.103 -26.325 496 HA HIS 68 HA HIS 68 -0.258 14.476 -27.645 497 HB2 HIS 68 2HB HIS 68 1.265 15.801 -28.943 498 HB3 HIS 68 3HB HIS 68 2.110 16.347 -27.497 499 HD1 HIS 68 HD1 HIS 68 3.732 14.654 -26.364 500 HD2 HIS 68 HD2 HIS 68 2.037 13.311 -29.911 501 HE1 HIS 68 HE1 HIS 68 5.081 12.639 -27.033 502 H TYR 69 H TYR 69 -0.414 12.983 -26.110 503 HA TYR 69 HA TYR 69 1.522 13.020 -23.917 504 HB2 TYR 69 2HB TYR 69 -0.076 12.720 -22.213 505 HB3 TYR 69 3HB TYR 69 -0.729 14.018 -23.206 506 HD1 TYR 69 HD1 TYR 69 -2.170 12.938 -25.308 507 HD2 TYR 69 HD2 TYR 69 -1.666 11.257 -21.433 508 HE1 TYR 69 HE1 TYR 69 -4.261 11.673 -25.592 509 HE2 TYR 69 HE2 TYR 69 -3.754 9.986 -21.706 510 HH TYR 69 HH TYR 69 -5.477 9.915 -24.756 511 H GLN 70 H GLN 70 2.401 11.079 -23.554 512 HA GLN 70 HA GLN 70 2.883 8.867 -23.768 513 HB2 GLN 70 2HB GLN 70 0.073 9.034 -23.120 514 HB3 GLN 70 3HB GLN 70 0.392 7.627 -24.125 515 HG2 GLN 70 2HG GLN 70 2.420 7.707 -22.176 516 HG3 GLN 70 3HG GLN 70 0.895 8.009 -21.345 517 HE21 GLN 70 1HE2 GLN 70 2.604 5.701 -21.142 518 HE22 GLN 70 2HE2 GLN 70 1.664 4.339 -21.637 519 H GLY 71 H GLY 71 2.408 10.605 -26.188 520 HA2 GLY 71 2HA GLY 71 3.017 10.045 -28.402 521 HA3 GLY 71 3HA GLY 71 2.452 8.405 -28.117 522 H HIS 72 H HIS 72 -0.062 9.567 -26.897 523 HA HIS 72 HA HIS 72 -1.614 9.527 -29.291 524 HB2 HIS 72 2HB HIS 72 -2.099 9.142 -26.555 525 HB3 HIS 72 3HB HIS 72 -3.066 10.544 -27.005 526 HD1 HIS 72 HD1 HIS 72 -4.439 10.012 -29.439 527 HD2 HIS 72 HD2 HIS 72 -3.486 6.862 -26.902 528 HE1 HIS 72 HE1 HIS 72 -5.999 8.144 -30.071 529 H GLU 73 H GLU 73 -2.465 11.163 -30.450 530 HA GLU 73 HA GLU 73 -1.998 13.904 -29.472 531 HB2 GLU 73 2HB GLU 73 -0.663 12.929 -31.533 532 HB3 GLU 73 3HB GLU 73 -2.145 13.316 -32.397 533 HG2 GLU 73 2HG GLU 73 -1.742 15.510 -32.355 534 HG3 GLU 73 3HG GLU 73 -1.177 15.475 -30.685 535 H VAL 74 H VAL 74 -3.668 15.304 -29.529 536 HA VAL 74 HA VAL 74 -6.108 14.518 -30.966 537 HB VAL 74 HB VAL 74 -6.161 15.652 -28.171 538 HG11 VAL 74 1HG1 VAL 74 -8.305 14.390 -29.878 539 HG12 VAL 74 2HG1 VAL 74 -8.512 14.991 -28.232 540 HG13 VAL 74 3HG1 VAL 74 -8.132 16.112 -29.540 541 HG21 VAL 74 3HG2 VAL 74 -5.820 12.892 -29.096 542 HG22 VAL 74 1HG2 VAL 74 -5.494 13.611 -27.519 543 HG23 VAL 74 2HG2 VAL 74 -7.133 13.117 -27.940 544 H SER 75 H SER 75 -7.162 16.152 -31.962 545 HA SER 75 HA SER 75 -6.063 18.860 -31.596 546 HB2 SER 75 2HB SER 75 -5.684 17.887 -33.838 547 HB3 SER 75 3HB SER 75 -7.426 17.693 -34.036 548 HG SER 75 HG SER 75 -6.454 19.646 -34.969 549 H PHE 76 H PHE 76 -7.412 20.567 -31.254 550 HA PHE 76 HA PHE 76 -10.261 20.348 -31.560 551 HB2 PHE 76 2HB PHE 76 -10.713 20.842 -29.124 552 HB3 PHE 76 3HB PHE 76 -10.157 19.207 -29.466 553 HD1 PHE 76 HD1 PHE 76 -7.757 18.625 -29.024 554 HD2 PHE 76 HD2 PHE 76 -9.526 22.255 -27.677 555 HE1 PHE 76 HE1 PHE 76 -5.937 18.903 -27.392 556 HE2 PHE 76 HE2 PHE 76 -7.709 22.539 -26.044 557 HZ PHE 76 HZ PHE 76 -5.910 20.862 -25.900 558 H ASP 77 H ASP 77 -11.312 22.339 -31.450 559 HA ASP 77 HA ASP 77 -9.509 24.644 -31.534 560 HB2 ASP 77 2HB ASP 77 -11.344 25.807 -32.665 561 HB3 ASP 77 3HB ASP 77 -10.973 24.288 -33.476 562 H VAL 78 H VAL 78 -9.965 26.571 -30.403 563 HA VAL 78 HA VAL 78 -11.754 26.218 -28.085 564 HB VAL 78 HB VAL 78 -9.395 26.208 -27.411 565 HG11 VAL 78 1HG1 VAL 78 -9.320 28.934 -28.698 566 HG12 VAL 78 2HG1 VAL 78 -8.055 28.278 -27.657 567 HG13 VAL 78 3HG1 VAL 78 -8.423 27.501 -29.198 568 HG21 VAL 78 3HG2 VAL 78 -10.902 27.062 -25.791 569 HG22 VAL 78 1HG2 VAL 78 -9.521 28.159 -25.813 570 HG23 VAL 78 2HG2 VAL 78 -11.022 28.614 -26.619 571 H LEU 79 H LEU 79 -13.126 27.856 -27.562 572 HA LEU 79 HA LEU 79 -13.006 30.297 -29.203 573 HB2 LEU 79 2HB LEU 79 -15.308 28.477 -28.650 574 HB3 LEU 79 3HB LEU 79 -15.598 30.195 -28.914 575 HG LEU 79 HG LEU 79 -14.158 28.438 -30.893 576 HD11 LEU 79 1HD1 LEU 79 -16.123 27.955 -31.977 577 HD12 LEU 79 2HD1 LEU 79 -16.986 29.311 -31.254 578 HD13 LEU 79 3HD1 LEU 79 -16.639 27.874 -30.293 579 HD21 LEU 79 3HD2 LEU 79 -14.021 31.056 -30.801 580 HD22 LEU 79 1HD2 LEU 79 -15.620 30.954 -31.537 581 HD23 LEU 79 2HD2 LEU 79 -14.232 30.218 -32.339 582 H VAL 80 H VAL 80 -12.752 32.032 -27.977 583 HA VAL 80 HA VAL 80 -13.626 31.940 -25.175 584 HB VAL 80 HB VAL 80 -11.259 32.476 -25.549 585 HG11 VAL 80 1HG1 VAL 80 -12.308 34.903 -27.001 586 HG12 VAL 80 2HG1 VAL 80 -10.619 34.594 -26.595 587 HG13 VAL 80 3HG1 VAL 80 -11.460 33.541 -27.733 588 HG21 VAL 80 3HG2 VAL 80 -12.309 33.368 -23.572 589 HG22 VAL 80 1HG2 VAL 80 -11.194 34.571 -24.220 590 HG23 VAL 80 2HG2 VAL 80 -12.930 34.748 -24.478 591 H SER 81 H SER 81 -15.121 33.314 -24.375 592 HA SER 81 HA SER 81 -16.459 35.080 -26.299 593 HB2 SER 81 2HB SER 81 -17.397 33.291 -24.250 594 HB3 SER 81 3HB SER 81 -17.969 34.926 -23.916 595 HG SER 81 HG SER 81 -19.291 33.555 -25.363 596 HA PRO 82 HA PRO 82 -15.318 38.786 -24.251 597 HB2 PRO 82 2HB PRO 82 -17.611 40.239 -24.325 598 HB3 PRO 82 3HB PRO 82 -16.630 39.918 -25.760 599 HG2 PRO 82 2HG PRO 82 -19.121 38.548 -24.822 600 HG3 PRO 82 3HG PRO 82 -18.671 39.053 -26.462 601 HD2 PRO 82 2HD PRO 82 -18.433 36.494 -25.609 602 HD3 PRO 82 3HD PRO 82 -17.324 37.212 -26.795 603 H LYS 83 H LYS 83 -17.786 36.809 -22.938 604 HA LYS 83 HA LYS 83 -17.123 37.316 -20.279 605 HB2 LYS 83 2HB LYS 83 -18.845 39.304 -21.380 606 HB3 LYS 83 3HB LYS 83 -19.777 38.356 -20.228 607 HG2 LYS 83 2HG LYS 83 -17.707 38.732 -18.683 608 HG3 LYS 83 3HG LYS 83 -17.392 40.084 -19.773 609 HD2 LYS 83 2HD LYS 83 -20.123 39.721 -18.614 610 HD3 LYS 83 3HD LYS 83 -18.844 40.436 -17.629 611 HE2 LYS 83 2HE LYS 83 -18.887 42.365 -18.772 612 HE3 LYS 83 3HE LYS 83 -19.026 41.548 -20.328 613 HZ1 LYS 83 3HZ LYS 83 -21.071 42.710 -18.694 614 HZ2 LYS 83 1HZ LYS 83 -21.442 41.125 -19.154 615 HZ3 LYS 83 2HZ LYS 83 -21.108 42.291 -20.333 616 H ALA 84 H ALA 84 -19.293 36.711 -18.853 617 HA ALA 84 HA ALA 84 -21.115 34.884 -19.938 618 HB1 ALA 84 1HB ALA 84 -20.158 32.852 -19.869 619 HB2 ALA 84 2HB ALA 84 -18.652 33.761 -20.000 620 HB3 ALA 84 3HB ALA 84 -19.224 33.226 -18.420 621 H ALA 85 H ALA 85 -21.899 33.300 -18.073 622 HA ALA 85 HA ALA 85 -23.036 33.212 -16.100 623 HB1 ALA 85 1HB ALA 85 -21.710 33.166 -14.250 624 HB2 ALA 85 2HB ALA 85 -20.457 33.144 -15.492 625 HB3 ALA 85 3HB ALA 85 -20.866 34.654 -14.680 626 H LEU 86 H LEU 86 -23.264 34.807 -13.916 627 HA LEU 86 HA LEU 86 -24.312 36.657 -13.109 628 HB2 LEU 86 2HB LEU 86 -22.237 37.596 -14.653 629 HB3 LEU 86 3HB LEU 86 -23.630 38.466 -15.292 630 HG LEU 86 HG LEU 86 -24.107 39.119 -12.863 631 HD11 LEU 86 1HD1 LEU 86 -22.709 38.549 -11.228 632 HD12 LEU 86 2HD1 LEU 86 -21.289 38.964 -12.188 633 HD13 LEU 86 3HD1 LEU 86 -22.031 37.373 -12.355 634 HD21 LEU 86 3HD2 LEU 86 -23.442 40.930 -14.051 635 HD22 LEU 86 1HD2 LEU 86 -21.999 40.131 -14.676 636 HD23 LEU 86 2HD2 LEU 86 -22.012 40.768 -13.031 637 H ASN 87 H ASN 87 -25.679 34.894 -14.947 638 HA ASN 87 HA ASN 87 -27.811 36.726 -15.759 639 HB2 ASN 87 2HB ASN 87 -26.475 36.296 -17.784 640 HB3 ASN 87 3HB ASN 87 -26.692 34.563 -17.557 641 HD21 ASN 87 1HD2 ASN 87 -27.807 34.133 -19.385 642 HD22 ASN 87 2HD2 ASN 87 -29.379 34.762 -19.730 643 H ASP 88 H ASP 88 -29.719 36.047 -15.044 644 HA ASP 88 HA ASP 88 -30.086 33.788 -13.482 645 HB2 ASP 88 2HB ASP 88 -32.240 35.188 -15.076 646 HB3 ASP 88 3HB ASP 88 -32.460 34.236 -13.611 647 H GLU 89 H GLU 89 -31.857 32.090 -14.004 648 HA GLU 89 HA GLU 89 -32.336 30.155 -15.104 649 HB2 GLU 89 2HB GLU 89 -32.145 32.007 -17.485 650 HB3 GLU 89 3HB GLU 89 -32.800 30.377 -17.544 651 HG2 GLU 89 2HG GLU 89 -33.960 32.217 -15.542 652 HG3 GLU 89 3HG GLU 89 -34.319 32.537 -17.238 Start of MODEL 10 1 H SER 1 H SER 1 3.233 4.077 0.111 2 HA SER 1 HA SER 1 4.734 4.034 -1.657 3 HB2 SER 1 2HB SER 1 3.715 2.342 -3.609 4 HB3 SER 1 3HB SER 1 4.974 1.939 -2.441 5 HG SER 1 HG SER 1 3.613 0.508 -1.744 6 HA PRO 2 HA PRO 2 2.724 6.868 -4.334 7 HB2 PRO 2 2HB PRO 2 4.206 6.686 -6.601 8 HB3 PRO 2 3HB PRO 2 4.802 7.451 -5.123 9 HG2 PRO 2 2HG PRO 2 5.321 4.696 -6.172 10 HG3 PRO 2 3HG PRO 2 6.456 5.849 -5.445 11 HD2 PRO 2 2HD PRO 2 5.399 3.775 -4.062 12 HD3 PRO 2 3HD PRO 2 5.808 5.324 -3.296 13 H LYS 3 H LYS 3 1.259 7.064 -6.037 14 HA LYS 3 HA LYS 3 0.208 4.528 -7.028 15 HB2 LYS 3 2HB LYS 3 -1.435 5.956 -6.035 16 HB3 LYS 3 3HB LYS 3 -0.904 7.334 -6.991 17 HG2 LYS 3 2HG LYS 3 -1.681 6.182 -9.027 18 HG3 LYS 3 3HG LYS 3 -2.283 4.862 -8.021 19 HD2 LYS 3 2HD LYS 3 -4.158 5.981 -7.595 20 HD3 LYS 3 3HD LYS 3 -3.243 7.375 -7.018 21 HE2 LYS 3 2HE LYS 3 -4.429 8.272 -8.786 22 HE3 LYS 3 3HE LYS 3 -2.892 7.862 -9.545 23 HZ1 LYS 3 3HZ LYS 3 -5.097 7.186 -10.680 24 HZ2 LYS 3 1HZ LYS 3 -5.096 5.913 -9.566 25 HZ3 LYS 3 2HZ LYS 3 -3.812 6.086 -10.652 26 H THR 4 H THR 4 1.292 3.866 -8.795 27 HA THR 4 HA THR 4 1.703 5.811 -10.969 28 HB THR 4 HB THR 4 3.176 3.546 -11.626 29 HG1 THR 4 HG1 THR 4 3.616 4.174 -8.881 30 HG21 THR 4 3HG2 THR 4 5.128 4.972 -11.094 31 HG22 THR 4 1HG2 THR 4 4.050 6.101 -10.274 32 HG23 THR 4 2HG2 THR 4 3.889 5.830 -12.009 33 H ILE 5 H ILE 5 0.339 5.635 -12.611 34 HA ILE 5 HA ILE 5 -1.344 3.336 -12.940 35 HB ILE 5 HB ILE 5 -2.367 4.519 -14.766 36 HG12 ILE 5 2HG1 ILE 5 -1.186 6.969 -15.034 37 HG13 ILE 5 3HG1 ILE 5 0.217 5.932 -14.799 38 HG21 ILE 5 1HG2 ILE 5 -3.441 5.717 -13.241 39 HG22 ILE 5 2HG2 ILE 5 -2.057 5.601 -12.156 40 HG23 ILE 5 3HG2 ILE 5 -2.167 6.934 -13.304 41 HD11 ILE 5 3HD1 ILE 5 -1.332 6.338 -17.141 42 HD12 ILE 5 1HD1 ILE 5 0.119 5.359 -16.927 43 HD13 ILE 5 2HD1 ILE 5 -1.473 4.648 -16.657 44 H LEU 6 H LEU 6 -1.591 2.247 -15.065 45 HA LEU 6 HA LEU 6 1.000 1.922 -16.428 46 HB2 LEU 6 2HB LEU 6 -0.090 0.047 -14.820 47 HB3 LEU 6 3HB LEU 6 -0.820 -0.396 -16.362 48 HG LEU 6 HG LEU 6 1.680 -0.280 -17.194 49 HD11 LEU 6 1HD1 LEU 6 3.276 -0.198 -15.652 50 HD12 LEU 6 2HD1 LEU 6 2.500 -1.454 -14.689 51 HD13 LEU 6 3HD1 LEU 6 2.029 0.232 -14.481 52 HD21 LEU 6 3HD2 LEU 6 0.256 -2.477 -15.741 53 HD22 LEU 6 1HD2 LEU 6 1.873 -2.730 -16.396 54 HD23 LEU 6 2HD2 LEU 6 0.546 -2.286 -17.470 55 H GLY 7 H GLY 7 -2.513 1.805 -16.663 56 HA2 GLY 7 2HA GLY 7 -2.249 1.890 -19.605 57 HA3 GLY 7 3HA GLY 7 -3.630 1.204 -18.762 58 H ILE 8 H ILE 8 -3.308 3.434 -20.771 59 HA ILE 8 HA ILE 8 -4.851 5.433 -19.260 60 HB ILE 8 HB ILE 8 -2.655 6.387 -19.624 61 HG12 ILE 8 2HG1 ILE 8 -4.706 7.535 -21.531 62 HG13 ILE 8 3HG1 ILE 8 -4.586 7.885 -19.810 63 HG21 ILE 8 1HG2 ILE 8 -2.780 4.966 -22.063 64 HG22 ILE 8 2HG2 ILE 8 -2.605 6.675 -22.457 65 HG23 ILE 8 3HG2 ILE 8 -1.430 5.889 -21.404 66 HD11 ILE 8 3HD1 ILE 8 -2.734 8.697 -22.018 67 HD12 ILE 8 1HD1 ILE 8 -3.606 9.715 -20.872 68 HD13 ILE 8 2HD1 ILE 8 -2.243 8.738 -20.325 69 H GLU 9 H GLU 9 -6.583 6.348 -20.312 70 HA GLU 9 HA GLU 9 -7.107 5.468 -23.066 71 HB2 GLU 9 2HB GLU 9 -8.441 4.493 -20.799 72 HB3 GLU 9 3HB GLU 9 -9.550 5.645 -21.529 73 HG2 GLU 9 2HG GLU 9 -9.186 4.441 -23.709 74 HG3 GLU 9 3HG GLU 9 -8.342 3.199 -22.786 75 H VAL 10 H VAL 10 -7.649 7.090 -24.365 76 HA VAL 10 HA VAL 10 -7.891 9.752 -23.387 77 HB VAL 10 HB VAL 10 -6.886 9.367 -25.551 78 HG11 VAL 10 1HG1 VAL 10 -9.176 8.810 -27.161 79 HG12 VAL 10 2HG1 VAL 10 -7.686 7.880 -26.991 80 HG13 VAL 10 3HG1 VAL 10 -9.043 7.581 -25.904 81 HG21 VAL 10 3HG2 VAL 10 -9.522 10.808 -25.839 82 HG22 VAL 10 1HG2 VAL 10 -8.034 11.498 -25.191 83 HG23 VAL 10 2HG2 VAL 10 -8.113 11.004 -26.882 84 H SER 11 H SER 11 -9.651 11.016 -23.084 85 HA SER 11 HA SER 11 -12.270 10.148 -23.984 86 HB2 SER 11 2HB SER 11 -11.907 9.017 -21.773 87 HB3 SER 11 3HB SER 11 -11.772 10.613 -21.036 88 HG SER 11 HG SER 11 -13.897 9.768 -20.890 89 H GLN 12 H GLN 12 -10.572 12.371 -24.602 90 HA GLN 12 HA GLN 12 -11.598 14.682 -23.223 91 HB2 GLN 12 2HB GLN 12 -10.187 15.970 -24.652 92 HB3 GLN 12 3HB GLN 12 -9.286 14.530 -24.196 93 HG2 GLN 12 2HG GLN 12 -8.829 14.648 -26.431 94 HG3 GLN 12 3HG GLN 12 -10.229 13.577 -26.429 95 HE21 GLN 12 1HE2 GLN 12 -9.838 17.096 -26.206 96 HE22 GLN 12 2HE2 GLN 12 -10.886 17.469 -27.528 97 H GLU 13 H GLU 13 -13.226 15.998 -23.824 98 HA GLU 13 HA GLU 13 -14.733 15.236 -26.230 99 HB2 GLU 13 2HB GLU 13 -15.534 16.437 -23.602 100 HB3 GLU 13 3HB GLU 13 -16.546 16.674 -25.020 101 HG2 GLU 13 2HG GLU 13 -17.485 14.818 -24.030 102 HG3 GLU 13 3HG GLU 13 -16.432 14.110 -25.253 103 HA PRO 14 HA PRO 14 -13.883 19.060 -28.211 104 HB2 PRO 14 2HB PRO 14 -16.182 19.440 -29.604 105 HB3 PRO 14 3HB PRO 14 -14.986 18.214 -30.040 106 HG2 PRO 14 2HG PRO 14 -17.545 17.905 -28.519 107 HG3 PRO 14 3HG PRO 14 -16.868 16.872 -29.792 108 HD2 PRO 14 2HD PRO 14 -16.681 16.255 -27.162 109 HD3 PRO 14 3HD PRO 14 -15.429 15.810 -28.338 110 H LYS 15 H LYS 15 -13.901 21.102 -27.520 111 HA LYS 15 HA LYS 15 -16.185 22.613 -26.944 112 HB2 LYS 15 2HB LYS 15 -15.175 21.009 -24.730 113 HB3 LYS 15 3HB LYS 15 -15.198 22.726 -24.352 114 HG2 LYS 15 2HG LYS 15 -17.650 22.227 -25.573 115 HG3 LYS 15 3HG LYS 15 -17.374 20.849 -24.505 116 HD2 LYS 15 2HD LYS 15 -16.930 22.412 -22.650 117 HD3 LYS 15 3HD LYS 15 -17.280 23.765 -23.728 118 HE2 LYS 15 2HE LYS 15 -19.552 22.919 -24.049 119 HE3 LYS 15 3HE LYS 15 -19.201 21.561 -22.982 120 HZ1 LYS 15 3HZ LYS 15 -20.211 23.993 -22.238 121 HZ2 LYS 15 1HZ LYS 15 -18.593 24.059 -21.750 122 HZ3 LYS 15 2HZ LYS 15 -19.591 22.807 -21.203 123 H LYS 16 H LYS 16 -13.225 22.577 -25.001 124 HA LYS 16 HA LYS 16 -11.683 24.231 -24.641 125 HB2 LYS 16 2HB LYS 16 -11.241 23.081 -27.022 126 HB3 LYS 16 3HB LYS 16 -11.503 24.733 -27.564 127 HG2 LYS 16 2HG LYS 16 -9.283 24.882 -27.228 128 HG3 LYS 16 3HG LYS 16 -9.783 25.197 -25.565 129 HD2 LYS 16 2HD LYS 16 -8.072 23.558 -25.458 130 HD3 LYS 16 3HD LYS 16 -9.593 22.713 -25.162 131 HE2 LYS 16 2HE LYS 16 -9.616 21.797 -27.340 132 HE3 LYS 16 3HE LYS 16 -8.343 22.885 -27.892 133 HZ1 LYS 16 3HZ LYS 16 -8.118 20.345 -26.622 134 HZ2 LYS 16 1HZ LYS 16 -7.244 21.526 -25.783 135 HZ3 LYS 16 2HZ LYS 16 -6.936 21.252 -27.423 136 H ASP 17 H ASP 17 -14.105 25.311 -24.223 137 HA ASP 17 HA ASP 17 -13.879 27.974 -25.463 138 HB2 ASP 17 2HB ASP 17 -16.042 26.207 -25.697 139 HB3 ASP 17 3HB ASP 17 -16.556 27.411 -24.518 140 H TYR 18 H TYR 18 -13.779 29.656 -24.100 141 HA TYR 18 HA TYR 18 -14.611 29.287 -21.314 142 HB2 TYR 18 2HB TYR 18 -12.578 29.952 -20.395 143 HB3 TYR 18 3HB TYR 18 -12.069 28.928 -21.733 144 HD1 TYR 18 HD1 TYR 18 -11.102 29.923 -23.762 145 HD2 TYR 18 HD2 TYR 18 -12.141 32.317 -20.401 146 HE1 TYR 18 HE1 TYR 18 -9.739 31.764 -24.659 147 HE2 TYR 18 HE2 TYR 18 -10.782 34.164 -21.290 148 HH TYR 18 HH TYR 18 -8.755 34.359 -22.878 149 H LEU 19 H LEU 19 -15.173 31.196 -20.223 150 HA LEU 19 HA LEU 19 -15.911 33.383 -22.008 151 HB2 LEU 19 2HB LEU 19 -17.324 34.145 -20.185 152 HB3 LEU 19 3HB LEU 19 -17.631 32.451 -20.561 153 HG LEU 19 HG LEU 19 -15.899 32.114 -18.560 154 HD11 LEU 19 1HD1 LEU 19 -16.655 34.911 -18.431 155 HD12 LEU 19 2HD1 LEU 19 -15.403 34.035 -17.552 156 HD13 LEU 19 3HD1 LEU 19 -17.062 34.037 -16.954 157 HD21 LEU 19 3HD2 LEU 19 -18.861 32.612 -18.443 158 HD22 LEU 19 1HD2 LEU 19 -17.939 32.049 -17.049 159 HD23 LEU 19 2HD2 LEU 19 -18.008 31.070 -18.514 160 H VAL 20 H VAL 20 -15.433 35.567 -21.555 161 HA VAL 20 HA VAL 20 -12.838 36.181 -20.894 162 HB VAL 20 HB VAL 20 -13.695 38.530 -20.443 163 HG11 VAL 20 1HG1 VAL 20 -14.693 37.339 -23.019 164 HG12 VAL 20 2HG1 VAL 20 -14.075 38.968 -22.739 165 HG13 VAL 20 3HG1 VAL 20 -12.982 37.585 -22.673 166 HG21 VAL 20 3HG2 VAL 20 -16.328 37.282 -21.228 167 HG22 VAL 20 1HG2 VAL 20 -15.914 37.864 -19.615 168 HG23 VAL 20 2HG2 VAL 20 -16.020 38.998 -20.962 169 H GLY 21 H GLY 21 -11.699 36.459 -19.072 170 HA2 GLY 21 2HA GLY 21 -11.407 37.142 -16.816 171 HA3 GLY 21 3HA GLY 21 -13.123 36.877 -16.543 172 H ASP 22 H ASP 22 -12.201 34.273 -18.250 173 HA ASP 22 HA ASP 22 -11.552 32.739 -15.818 174 HB2 ASP 22 2HB ASP 22 -13.811 32.427 -17.197 175 HB3 ASP 22 3HB ASP 22 -12.777 31.392 -18.177 176 H SER 23 H SER 23 -10.525 33.653 -18.922 177 HA SER 23 HA SER 23 -8.675 33.164 -20.153 178 HB2 SER 23 2HB SER 23 -6.756 32.719 -18.997 179 HB3 SER 23 3HB SER 23 -7.793 33.059 -17.611 180 HG SER 23 HG SER 23 -6.727 31.110 -17.280 181 H LEU 24 H LEU 24 -7.469 31.335 -21.185 182 HA LEU 24 HA LEU 24 -9.285 29.348 -22.040 183 HB2 LEU 24 2HB LEU 24 -7.554 30.134 -23.507 184 HB3 LEU 24 3HB LEU 24 -6.304 29.606 -22.383 185 HG LEU 24 HG LEU 24 -6.747 28.211 -24.503 186 HD11 LEU 24 1HD1 LEU 24 -6.838 26.196 -22.506 187 HD12 LEU 24 2HD1 LEU 24 -5.913 27.558 -21.875 188 HD13 LEU 24 3HD1 LEU 24 -5.443 26.803 -23.398 189 HD21 LEU 24 3HD2 LEU 24 -9.308 28.219 -23.671 190 HD22 LEU 24 1HD2 LEU 24 -8.751 26.710 -22.948 191 HD23 LEU 24 2HD2 LEU 24 -8.612 26.957 -24.689 192 H ASP 25 H ASP 25 -9.770 27.430 -21.207 193 HA ASP 25 HA ASP 25 -7.938 25.681 -19.988 194 HB2 ASP 25 2HB ASP 25 -7.935 27.193 -18.111 195 HB3 ASP 25 3HB ASP 25 -9.696 27.250 -18.094 196 H LEU 26 H LEU 26 -9.186 24.573 -21.684 197 HA LEU 26 HA LEU 26 -11.887 24.052 -21.669 198 HB2 LEU 26 2HB LEU 26 -11.460 22.266 -23.082 199 HB3 LEU 26 3HB LEU 26 -10.069 23.321 -23.323 200 HG LEU 26 HG LEU 26 -10.086 20.851 -21.590 201 HD11 LEU 26 1HD1 LEU 26 -8.714 21.189 -24.240 202 HD12 LEU 26 2HD1 LEU 26 -10.337 20.515 -24.097 203 HD13 LEU 26 3HD1 LEU 26 -8.976 19.710 -23.316 204 HD21 LEU 26 3HD2 LEU 26 -8.045 22.928 -22.246 205 HD22 LEU 26 1HD2 LEU 26 -7.535 21.264 -21.958 206 HD23 LEU 26 2HD2 LEU 26 -8.404 22.149 -20.704 207 H SER 27 H SER 27 -13.244 22.627 -20.659 208 HA SER 27 HA SER 27 -12.106 21.138 -18.383 209 HB2 SER 27 2HB SER 27 -14.328 23.032 -18.533 210 HB3 SER 27 3HB SER 27 -14.781 21.506 -17.774 211 HG SER 27 HG SER 27 -13.567 23.461 -16.617 212 H GLU 28 H GLU 28 -13.238 20.675 -21.356 213 HA GLU 28 HA GLU 28 -14.864 18.321 -20.690 214 HB2 GLU 28 2HB GLU 28 -14.760 20.180 -22.989 215 HB3 GLU 28 3HB GLU 28 -15.045 18.490 -23.382 216 HG2 GLU 28 2HG GLU 28 -16.692 19.359 -21.174 217 HG3 GLU 28 3HG GLU 28 -16.931 20.361 -22.604 218 H GLY 29 H GLY 29 -11.784 19.283 -21.813 219 HA2 GLY 29 2HA GLY 29 -11.223 16.774 -23.170 220 HA3 GLY 29 3HA GLY 29 -10.113 18.121 -22.964 221 H ARG 30 H ARG 30 -11.764 15.585 -21.094 222 HA ARG 30 HA ARG 30 -9.415 15.490 -19.322 223 HB2 ARG 30 2HB ARG 30 -10.824 14.619 -17.600 224 HB3 ARG 30 3HB ARG 30 -11.635 16.024 -18.278 225 HG2 ARG 30 2HG ARG 30 -12.493 13.739 -19.722 226 HG3 ARG 30 3HG ARG 30 -12.609 13.381 -17.998 227 HD2 ARG 30 2HD ARG 30 -13.854 15.500 -17.689 228 HD3 ARG 30 3HD ARG 30 -13.809 15.745 -19.435 229 HE ARG 30 HE ARG 30 -14.915 13.243 -19.012 230 HH11 ARG 30 1HH1 ARG 30 -15.667 16.552 -18.238 231 HH12 ARG 30 2HH1 ARG 30 -17.381 16.299 -18.239 232 HH21 ARG 30 1HH2 ARG 30 -17.169 12.897 -19.016 233 HH22 ARG 30 2HH2 ARG 30 -18.235 14.220 -18.680 234 H PHE 31 H PHE 31 -8.615 13.434 -18.664 235 HA PHE 31 HA PHE 31 -9.308 11.246 -20.511 236 HB2 PHE 31 2HB PHE 31 -7.014 10.580 -20.596 237 HB3 PHE 31 3HB PHE 31 -7.056 12.313 -20.903 238 HD1 PHE 31 HD1 PHE 31 -6.227 13.891 -19.249 239 HD2 PHE 31 HD2 PHE 31 -6.030 9.690 -18.595 240 HE1 PHE 31 HE1 PHE 31 -4.619 14.254 -17.423 241 HE2 PHE 31 HE2 PHE 31 -4.422 10.046 -16.767 242 HZ PHE 31 HZ PHE 31 -3.715 12.331 -16.178 243 H ALA 32 H ALA 32 -9.265 9.129 -19.698 244 HA ALA 32 HA ALA 32 -9.471 8.980 -16.766 245 HB1 ALA 32 1HB ALA 32 -10.732 7.317 -18.934 246 HB2 ALA 32 2HB ALA 32 -10.769 6.871 -17.228 247 HB3 ALA 32 3HB ALA 32 -11.532 8.368 -17.766 248 H VAL 33 H VAL 33 -7.836 8.049 -15.743 249 HA VAL 33 HA VAL 33 -6.164 6.116 -17.205 250 HB VAL 33 HB VAL 33 -5.083 8.220 -16.301 251 HG11 VAL 33 1HG1 VAL 33 -4.916 7.010 -13.620 252 HG12 VAL 33 2HG1 VAL 33 -5.012 8.706 -14.100 253 HG13 VAL 33 3HG1 VAL 33 -6.474 7.720 -14.044 254 HG21 VAL 33 3HG2 VAL 33 -3.975 5.653 -15.176 255 HG22 VAL 33 1HG2 VAL 33 -3.882 6.103 -16.879 256 HG23 VAL 33 2HG2 VAL 33 -3.076 7.091 -15.660 257 H ALA 34 H ALA 34 -5.762 4.114 -16.375 258 HA ALA 34 HA ALA 34 -7.397 3.328 -14.065 259 HB1 ALA 34 1HB ALA 34 -8.015 1.974 -15.840 260 HB2 ALA 34 2HB ALA 34 -6.364 1.841 -16.447 261 HB3 ALA 34 3HB ALA 34 -6.839 0.974 -14.987 262 H TYR 35 H TYR 35 -6.516 2.495 -12.251 263 HA TYR 35 HA TYR 35 -3.597 2.522 -12.063 264 HB2 TYR 35 2HB TYR 35 -4.982 3.820 -10.428 265 HB3 TYR 35 3HB TYR 35 -5.623 2.294 -9.830 266 HD1 TYR 35 HD1 TYR 35 -2.121 2.965 -10.848 267 HD2 TYR 35 HD2 TYR 35 -4.811 2.312 -7.617 268 HE1 TYR 35 HE1 TYR 35 -0.214 2.774 -9.307 269 HE2 TYR 35 HE2 TYR 35 -2.911 2.121 -6.066 270 HH TYR 35 HH TYR 35 0.178 1.598 -7.001 271 H SER 36 H SER 36 -2.404 0.788 -11.283 272 HA SER 36 HA SER 36 -3.247 -1.774 -12.042 273 HB2 SER 36 2HB SER 36 -1.203 -2.174 -10.185 274 HB3 SER 36 3HB SER 36 -1.014 -1.979 -11.927 275 HG SER 36 HG SER 36 0.185 -0.494 -10.448 276 H ASN 37 H ASN 37 -3.852 0.016 -9.202 277 HA ASN 37 HA ASN 37 -4.454 -2.353 -7.607 278 HB2 ASN 37 2HB ASN 37 -3.298 -0.197 -6.737 279 HB3 ASN 37 3HB ASN 37 -4.924 0.480 -6.718 280 HD21 ASN 37 1HD2 ASN 37 -6.203 0.062 -5.039 281 HD22 ASN 37 2HD2 ASN 37 -5.844 -1.052 -3.768 282 H ASP 38 H ASP 38 -6.005 -1.499 -10.024 283 HA ASP 38 HA ASP 38 -8.172 -1.493 -10.716 284 HB2 ASP 38 2HB ASP 38 -8.975 -2.246 -7.910 285 HB3 ASP 38 3HB ASP 38 -9.783 -2.649 -9.422 286 H THR 39 H THR 39 -7.676 0.902 -10.701 287 HA THR 39 HA THR 39 -9.837 2.258 -9.300 288 HB THR 39 HB THR 39 -7.406 3.870 -9.188 289 HG1 THR 39 HG1 THR 39 -6.803 2.535 -7.194 290 HG21 THR 39 3HG2 THR 39 -9.434 3.020 -7.116 291 HG22 THR 39 1HG2 THR 39 -9.491 4.492 -8.085 292 HG23 THR 39 2HG2 THR 39 -8.208 4.268 -6.896 293 H MET 40 H MET 40 -10.228 4.439 -10.138 294 HA MET 40 HA MET 40 -9.010 5.000 -12.738 295 HB2 MET 40 2HB MET 40 -11.683 3.993 -12.347 296 HB3 MET 40 3HB MET 40 -11.740 5.603 -13.052 297 HG2 MET 40 2HG MET 40 -10.105 4.786 -14.778 298 HG3 MET 40 3HG MET 40 -10.368 3.164 -14.140 299 HE1 MET 40 3HE MET 40 -12.351 2.138 -16.830 300 HE2 MET 40 1HE MET 40 -11.498 3.520 -17.518 301 HE3 MET 40 2HE MET 40 -10.701 2.499 -16.321 302 H GLU 41 H GLU 41 -8.779 7.137 -13.178 303 HA GLU 41 HA GLU 41 -10.118 9.063 -11.409 304 HB2 GLU 41 2HB GLU 41 -7.178 9.032 -12.110 305 HB3 GLU 41 3HB GLU 41 -7.995 10.364 -11.304 306 HG2 GLU 41 2HG GLU 41 -8.508 7.885 -9.939 307 HG3 GLU 41 3HG GLU 41 -6.776 8.155 -10.123 308 H GLU 42 H GLU 42 -10.918 10.815 -12.412 309 HA GLU 42 HA GLU 42 -10.160 11.236 -15.229 310 HB2 GLU 42 2HB GLU 42 -12.855 11.517 -13.899 311 HB3 GLU 42 3HB GLU 42 -12.501 12.151 -15.500 312 HG2 GLU 42 2HG GLU 42 -12.423 10.086 -16.460 313 HG3 GLU 42 3HG GLU 42 -11.915 9.291 -14.971 314 H HIS 43 H HIS 43 -9.478 13.209 -15.790 315 HA HIS 43 HA HIS 43 -10.233 15.554 -14.276 316 HB2 HIS 43 2HB HIS 43 -7.486 14.375 -14.161 317 HB3 HIS 43 3HB HIS 43 -7.665 16.127 -14.137 318 HD1 HIS 43 HD1 HIS 43 -7.648 13.243 -11.963 319 HD2 HIS 43 HD2 HIS 43 -9.409 17.006 -11.911 320 HE1 HIS 43 HE1 HIS 43 -8.318 13.639 -9.572 321 H SER 44 H SER 44 -10.051 17.432 -15.441 322 HA SER 44 HA SER 44 -9.151 17.111 -18.225 323 HB2 SER 44 2HB SER 44 -10.691 19.473 -17.968 324 HB3 SER 44 3HB SER 44 -11.139 17.976 -18.785 325 HG SER 44 HG SER 44 -12.525 18.789 -16.978 326 H PHE 45 H PHE 45 -7.359 18.129 -18.798 327 HA PHE 45 HA PHE 45 -5.456 19.398 -18.549 328 HB2 PHE 45 2HB PHE 45 -7.165 20.822 -19.768 329 HB3 PHE 45 3HB PHE 45 -7.464 21.631 -18.234 330 HD1 PHE 45 HD1 PHE 45 -4.549 20.653 -20.352 331 HD2 PHE 45 HD2 PHE 45 -6.366 23.608 -17.885 332 HE1 PHE 45 HE1 PHE 45 -2.667 22.175 -20.796 333 HE2 PHE 45 HE2 PHE 45 -4.488 25.135 -18.326 334 HZ PHE 45 HZ PHE 45 -2.636 24.420 -19.783 335 H THR 46 H THR 46 -6.121 18.242 -16.105 336 HA THR 46 HA THR 46 -4.873 20.125 -14.296 337 HB THR 46 HB THR 46 -7.263 20.643 -13.997 338 HG1 THR 46 HG1 THR 46 -6.200 19.211 -11.772 339 HG21 THR 46 3HG2 THR 46 -8.873 19.087 -13.393 340 HG22 THR 46 1HG2 THR 46 -7.680 17.918 -12.828 341 HG23 THR 46 2HG2 THR 46 -7.905 18.183 -14.557 342 H ASP 47 H ASP 47 -4.512 17.396 -15.577 343 HA ASP 47 HA ASP 47 -3.996 15.895 -13.094 344 HB2 ASP 47 2HB ASP 47 -5.514 15.109 -15.311 345 HB3 ASP 47 3HB ASP 47 -3.990 14.240 -15.471 346 H GLU 48 H GLU 48 -2.477 17.759 -15.203 347 HA GLU 48 HA GLU 48 -0.369 17.933 -16.063 348 HB2 GLU 48 2HB GLU 48 0.001 16.475 -13.469 349 HB3 GLU 48 3HB GLU 48 1.387 16.792 -14.503 350 HG2 GLU 48 2HG GLU 48 1.135 19.122 -14.306 351 HG3 GLU 48 3HG GLU 48 -0.479 18.966 -13.615 352 H GLY 49 H GLY 49 -1.980 15.698 -17.033 353 HA2 GLY 49 2HA GLY 49 0.057 13.640 -17.530 354 HA3 GLY 49 3HA GLY 49 -1.667 13.467 -17.820 355 H VAL 50 H VAL 50 -2.184 15.760 -19.287 356 HA VAL 50 HA VAL 50 -0.658 15.209 -21.745 357 HB VAL 50 HB VAL 50 -3.111 14.690 -21.786 358 HG11 VAL 50 1HG1 VAL 50 -4.744 16.333 -21.636 359 HG12 VAL 50 2HG1 VAL 50 -3.610 16.794 -20.365 360 HG13 VAL 50 3HG1 VAL 50 -3.595 17.642 -21.912 361 HG21 VAL 50 3HG2 VAL 50 -2.169 16.843 -23.679 362 HG22 VAL 50 1HG2 VAL 50 -1.855 15.114 -23.835 363 HG23 VAL 50 2HG2 VAL 50 -3.504 15.727 -23.967 364 H GLU 51 H GLU 51 0.294 16.843 -22.852 365 HA GLU 51 HA GLU 51 0.176 19.508 -21.614 366 HB2 GLU 51 2HB GLU 51 2.325 18.181 -23.268 367 HB3 GLU 51 3HB GLU 51 2.363 19.877 -22.808 368 HG2 GLU 51 2HG GLU 51 2.075 18.920 -20.393 369 HG3 GLU 51 3HG GLU 51 2.712 17.448 -21.124 370 H ILE 52 H ILE 52 -0.171 21.329 -22.847 371 HA ILE 52 HA ILE 52 -1.125 20.832 -25.589 372 HB ILE 52 HB ILE 52 -1.889 23.226 -23.942 373 HG12 ILE 52 2HG1 ILE 52 -2.524 21.300 -22.610 374 HG13 ILE 52 3HG1 ILE 52 -3.965 22.004 -23.336 375 HG21 ILE 52 1HG2 ILE 52 -2.541 23.640 -26.101 376 HG22 ILE 52 2HG2 ILE 52 -2.817 21.937 -26.461 377 HG23 ILE 52 3HG2 ILE 52 -3.978 22.830 -25.480 378 HD11 ILE 52 3HD1 ILE 52 -4.482 19.994 -24.090 379 HD12 ILE 52 1HD1 ILE 52 -3.073 20.074 -25.148 380 HD13 ILE 52 2HD1 ILE 52 -2.935 19.342 -23.549 381 H SER 53 H SER 53 -0.319 21.993 -27.256 382 HA SER 53 HA SER 53 1.441 24.264 -26.680 383 HB2 SER 53 2HB SER 53 2.406 21.718 -27.379 384 HB3 SER 53 3HB SER 53 2.533 22.691 -28.844 385 HG SER 53 HG SER 53 4.373 23.120 -27.771 386 H GLY 54 H GLY 54 1.300 25.900 -28.125 387 HA2 GLY 54 2HA GLY 54 1.003 26.634 -30.435 388 HA3 GLY 54 3HA GLY 54 -0.224 25.387 -30.602 389 H TYR 55 H TYR 55 -1.180 26.144 -27.810 390 HA TYR 55 HA TYR 55 -3.093 28.111 -28.715 391 HB2 TYR 55 2HB TYR 55 -4.413 27.049 -27.260 392 HB3 TYR 55 3HB TYR 55 -3.054 26.040 -26.774 393 HD1 TYR 55 HD1 TYR 55 -4.889 29.157 -26.011 394 HD2 TYR 55 HD2 TYR 55 -1.981 26.352 -24.677 395 HE1 TYR 55 HE1 TYR 55 -4.940 30.178 -23.774 396 HE2 TYR 55 HE2 TYR 55 -2.025 27.365 -22.436 397 HH TYR 55 HH TYR 55 -3.346 28.726 -21.055 398 H ASP 56 H ASP 56 -3.332 30.184 -27.987 399 HA ASP 56 HA ASP 56 -1.008 31.328 -26.636 400 HB2 ASP 56 2HB ASP 56 -2.708 32.197 -28.736 401 HB3 ASP 56 3HB ASP 56 -2.928 33.313 -27.391 402 H ALA 57 H ALA 57 -1.050 31.870 -24.562 403 HA ALA 57 HA ALA 57 -3.485 31.621 -23.041 404 HB1 ALA 57 1HB ALA 57 -2.155 31.710 -21.130 405 HB2 ALA 57 2HB ALA 57 -1.120 30.921 -22.321 406 HB3 ALA 57 3HB ALA 57 -0.885 32.627 -21.941 407 H GLN 58 H GLN 58 -2.333 34.035 -24.910 408 HA GLN 58 HA GLN 58 -3.312 36.165 -23.131 409 HB2 GLN 58 2HB GLN 58 -1.196 36.043 -25.187 410 HB3 GLN 58 3HB GLN 58 -2.172 37.506 -25.196 411 HG2 GLN 58 2HG GLN 58 -0.979 36.503 -22.648 412 HG3 GLN 58 3HG GLN 58 -0.007 37.427 -23.793 413 HE21 GLN 58 1HE2 GLN 58 0.016 39.532 -23.504 414 HE22 GLN 58 2HE2 GLN 58 -1.191 40.464 -22.693 415 H LYS 59 H LYS 59 -4.083 34.327 -25.858 416 HA LYS 59 HA LYS 59 -6.557 35.657 -26.245 417 HB2 LYS 59 2HB LYS 59 -4.291 36.442 -27.945 418 HB3 LYS 59 3HB LYS 59 -5.732 35.973 -28.838 419 HG2 LYS 59 2HG LYS 59 -6.750 37.885 -28.359 420 HG3 LYS 59 3HG LYS 59 -6.383 37.729 -26.639 421 HD2 LYS 59 2HD LYS 59 -4.089 38.572 -27.118 422 HD3 LYS 59 3HD LYS 59 -4.588 38.856 -28.787 423 HE2 LYS 59 2HE LYS 59 -4.883 40.934 -27.800 424 HE3 LYS 59 3HE LYS 59 -6.501 40.237 -27.733 425 HZ1 LYS 59 3HZ LYS 59 -4.562 40.144 -25.488 426 HZ2 LYS 59 1HZ LYS 59 -6.190 39.683 -25.449 427 HZ3 LYS 59 2HZ LYS 59 -5.776 41.312 -25.641 428 H THR 60 H THR 60 -7.822 34.675 -28.036 429 HA THR 60 HA THR 60 -6.857 31.971 -28.701 430 HB THR 60 HB THR 60 -9.390 31.369 -28.601 431 HG1 THR 60 HG1 THR 60 -9.398 33.400 -26.627 432 HG21 THR 60 3HG2 THR 60 -7.499 30.596 -27.080 433 HG22 THR 60 1HG2 THR 60 -9.127 30.538 -26.406 434 HG23 THR 60 2HG2 THR 60 -8.032 31.846 -25.957 435 H GLY 61 H GLY 61 -9.877 33.658 -29.494 436 HA2 GLY 61 2HA GLY 61 -10.901 33.964 -31.536 437 HA3 GLY 61 3HA GLY 61 -9.345 34.647 -31.985 438 H ARG 62 H ARG 62 -10.602 31.361 -31.385 439 HA ARG 62 HA ARG 62 -10.501 29.453 -32.619 440 HB2 ARG 62 2HB ARG 62 -11.495 31.111 -34.338 441 HB3 ARG 62 3HB ARG 62 -9.889 31.104 -35.055 442 HG2 ARG 62 2HG ARG 62 -10.668 28.410 -34.627 443 HG3 ARG 62 3HG ARG 62 -12.000 29.253 -35.421 444 HD2 ARG 62 2HD ARG 62 -10.240 30.158 -37.031 445 HD3 ARG 62 3HD ARG 62 -9.162 28.938 -36.356 446 HE ARG 62 HE ARG 62 -10.299 27.334 -37.528 447 HH11 ARG 62 1HH1 ARG 62 -12.189 30.257 -37.461 448 HH12 ARG 62 2HH1 ARG 62 -13.370 29.674 -38.587 449 HH21 ARG 62 1HH2 ARG 62 -11.848 26.555 -39.011 450 HH22 ARG 62 2HH2 ARG 62 -13.175 27.568 -39.467 451 H GLN 63 H GLN 63 -8.380 29.477 -31.288 452 HA GLN 63 HA GLN 63 -6.035 29.497 -33.048 453 HB2 GLN 63 2HB GLN 63 -6.234 30.644 -30.669 454 HB3 GLN 63 3HB GLN 63 -5.823 29.029 -30.108 455 HG2 GLN 63 2HG GLN 63 -3.785 30.153 -30.248 456 HG3 GLN 63 3HG GLN 63 -3.845 29.149 -31.697 457 HE21 GLN 63 1HE2 GLN 63 -2.100 31.109 -31.783 458 HE22 GLN 63 2HE2 GLN 63 -2.642 32.419 -32.770 459 H THR 64 H THR 64 -4.706 27.712 -33.284 460 HA THR 64 HA THR 64 -6.012 25.164 -32.983 461 HB THR 64 HB THR 64 -3.295 25.901 -34.080 462 HG1 THR 64 HG1 THR 64 -4.308 25.956 -35.962 463 HG21 THR 64 3HG2 THR 64 -2.954 23.701 -33.417 464 HG22 THR 64 1HG2 THR 64 -3.536 23.510 -35.070 465 HG23 THR 64 2HG2 THR 64 -4.631 23.245 -33.713 466 H LEU 65 H LEU 65 -5.451 23.484 -31.654 467 HA LEU 65 HA LEU 65 -3.282 23.943 -29.725 468 HB2 LEU 65 2HB LEU 65 -6.078 23.007 -29.108 469 HB3 LEU 65 3HB LEU 65 -4.734 22.929 -27.971 470 HG LEU 65 HG LEU 65 -4.646 25.537 -28.510 471 HD11 LEU 65 1HD1 LEU 65 -6.661 25.109 -30.089 472 HD12 LEU 65 2HD1 LEU 65 -6.667 26.521 -29.033 473 HD13 LEU 65 3HD1 LEU 65 -7.599 25.089 -28.595 474 HD21 LEU 65 3HD2 LEU 65 -6.001 25.885 -26.493 475 HD22 LEU 65 1HD2 LEU 65 -4.855 24.559 -26.298 476 HD23 LEU 65 2HD2 LEU 65 -6.560 24.215 -26.589 477 H THR 66 H THR 66 -2.009 22.224 -29.354 478 HA THR 66 HA THR 66 -2.861 19.632 -30.474 479 HB THR 66 HB THR 66 -0.040 19.660 -30.248 480 HG1 THR 66 HG1 THR 66 0.173 21.818 -30.395 481 HG21 THR 66 3HG2 THR 66 -1.910 19.801 -32.612 482 HG22 THR 66 1HG2 THR 66 -1.211 18.354 -31.885 483 HG23 THR 66 2HG2 THR 66 -0.178 19.498 -32.743 484 H LEU 67 H LEU 67 -3.407 18.349 -28.829 485 HA LEU 67 HA LEU 67 -1.895 18.490 -26.326 486 HB2 LEU 67 2HB LEU 67 -3.715 17.083 -25.418 487 HB3 LEU 67 3HB LEU 67 -4.265 18.632 -26.052 488 HG LEU 67 HG LEU 67 -4.418 16.396 -27.954 489 HD11 LEU 67 1HD1 LEU 67 -4.997 15.353 -25.733 490 HD12 LEU 67 2HD1 LEU 67 -6.256 15.285 -26.966 491 HD13 LEU 67 3HD1 LEU 67 -6.363 16.467 -25.662 492 HD21 LEU 67 3HD2 LEU 67 -6.790 17.970 -27.251 493 HD22 LEU 67 1HD2 LEU 67 -6.065 17.646 -28.825 494 HD23 LEU 67 2HD2 LEU 67 -5.410 18.923 -27.800 495 H HIS 68 H HIS 68 -0.430 17.006 -25.812 496 HA HIS 68 HA HIS 68 -0.490 14.425 -27.234 497 HB2 HIS 68 2HB HIS 68 1.493 16.372 -27.406 498 HB3 HIS 68 3HB HIS 68 2.150 15.188 -26.280 499 HD1 HIS 68 HD1 HIS 68 2.403 15.910 -29.647 500 HD2 HIS 68 HD2 HIS 68 1.507 12.407 -27.601 501 HE1 HIS 68 HE1 HIS 68 2.916 14.043 -31.252 502 H TYR 69 H TYR 69 -0.568 12.673 -25.986 503 HA TYR 69 HA TYR 69 0.448 12.808 -23.244 504 HB2 TYR 69 2HB TYR 69 -1.625 11.568 -22.483 505 HB3 TYR 69 3HB TYR 69 -1.862 13.262 -22.897 506 HD1 TYR 69 HD1 TYR 69 -2.932 13.852 -25.080 507 HD2 TYR 69 HD2 TYR 69 -2.766 9.848 -23.652 508 HE1 TYR 69 HE1 TYR 69 -4.715 13.224 -26.653 509 HE2 TYR 69 HE2 TYR 69 -4.548 9.208 -25.221 510 HH TYR 69 HH TYR 69 -5.576 11.235 -27.762 511 H GLN 70 H GLN 70 1.816 11.186 -22.971 512 HA GLN 70 HA GLN 70 2.794 9.134 -23.064 513 HB2 GLN 70 2HB GLN 70 -0.066 8.581 -23.366 514 HB3 GLN 70 3HB GLN 70 0.963 7.348 -24.082 515 HG2 GLN 70 2HG GLN 70 1.894 8.121 -21.457 516 HG3 GLN 70 3HG GLN 70 0.222 7.563 -21.425 517 HE21 GLN 70 1HE2 GLN 70 2.829 6.398 -20.487 518 HE22 GLN 70 2HE2 GLN 70 2.857 4.808 -21.161 519 H GLY 71 H GLY 71 0.565 8.516 -25.737 520 HA2 GLY 71 2HA GLY 71 2.720 8.971 -27.668 521 HA3 GLY 71 3HA GLY 71 2.044 7.352 -27.566 522 H HIS 72 H HIS 72 -0.248 9.739 -26.895 523 HA HIS 72 HA HIS 72 -1.315 9.508 -29.630 524 HB2 HIS 72 2HB HIS 72 -2.553 9.301 -26.972 525 HB3 HIS 72 3HB HIS 72 -3.444 10.313 -28.104 526 HD1 HIS 72 HD1 HIS 72 -4.355 9.138 -30.268 527 HD2 HIS 72 HD2 HIS 72 -2.664 6.580 -27.464 528 HE1 HIS 72 HE1 HIS 72 -5.090 6.828 -30.935 529 H GLU 73 H GLU 73 -2.304 11.331 -30.587 530 HA GLU 73 HA GLU 73 -1.869 13.908 -29.264 531 HB2 GLU 73 2HB GLU 73 -0.718 14.864 -31.099 532 HB3 GLU 73 3HB GLU 73 0.081 13.332 -30.776 533 HG2 GLU 73 2HG GLU 73 -1.433 12.369 -32.596 534 HG3 GLU 73 3HG GLU 73 -1.754 14.047 -33.032 535 H VAL 74 H VAL 74 -3.441 15.375 -29.635 536 HA VAL 74 HA VAL 74 -5.366 14.846 -31.792 537 HB VAL 74 HB VAL 74 -6.181 15.663 -29.002 538 HG11 VAL 74 1HG1 VAL 74 -8.452 15.032 -29.881 539 HG12 VAL 74 2HG1 VAL 74 -7.740 16.477 -30.600 540 HG13 VAL 74 3HG1 VAL 74 -7.727 14.951 -31.486 541 HG21 VAL 74 3HG2 VAL 74 -6.445 12.963 -30.324 542 HG22 VAL 74 1HG2 VAL 74 -5.316 13.364 -29.030 543 HG23 VAL 74 2HG2 VAL 74 -7.053 13.409 -28.730 544 H SER 75 H SER 75 -6.404 16.661 -32.645 545 HA SER 75 HA SER 75 -5.215 19.239 -31.850 546 HB2 SER 75 2HB SER 75 -4.826 18.116 -34.234 547 HB3 SER 75 3HB SER 75 -6.380 18.877 -34.573 548 HG SER 75 HG SER 75 -3.930 20.002 -34.360 549 H PHE 76 H PHE 76 -6.532 20.911 -31.389 550 HA PHE 76 HA PHE 76 -9.334 20.840 -32.153 551 HB2 PHE 76 2HB PHE 76 -8.393 20.206 -29.462 552 HB3 PHE 76 3HB PHE 76 -9.539 21.543 -29.482 553 HD1 PHE 76 HD2 PHE 76 -11.791 21.197 -30.524 554 HD2 PHE 76 HD1 PHE 76 -9.101 17.989 -29.759 555 HE1 PHE 76 HE2 PHE 76 -13.653 19.599 -30.697 556 HE2 PHE 76 HE1 PHE 76 -10.959 16.385 -29.932 557 HZ PHE 76 HZ PHE 76 -13.239 17.190 -30.400 558 H ASP 77 H ASP 77 -10.355 22.859 -32.062 559 HA ASP 77 HA ASP 77 -8.492 25.112 -31.915 560 HB2 ASP 77 2HB ASP 77 -10.995 24.551 -33.404 561 HB3 ASP 77 3HB ASP 77 -10.734 26.221 -32.909 562 H VAL 78 H VAL 78 -9.024 27.035 -30.795 563 HA VAL 78 HA VAL 78 -11.001 26.654 -28.640 564 HB VAL 78 HB VAL 78 -8.628 26.646 -27.866 565 HG11 VAL 78 1HG1 VAL 78 -7.714 28.211 -29.497 566 HG12 VAL 78 2HG1 VAL 78 -8.670 29.516 -28.793 567 HG13 VAL 78 3HG1 VAL 78 -7.388 28.754 -27.852 568 HG21 VAL 78 3HG2 VAL 78 -9.012 28.541 -26.154 569 HG22 VAL 78 1HG2 VAL 78 -10.572 28.733 -26.953 570 HG23 VAL 78 2HG2 VAL 78 -10.152 27.196 -26.197 571 H LEU 79 H LEU 79 -12.410 28.285 -28.202 572 HA LEU 79 HA LEU 79 -12.093 30.827 -29.629 573 HB2 LEU 79 2HB LEU 79 -13.753 28.923 -30.592 574 HB3 LEU 79 3HB LEU 79 -14.841 29.772 -29.496 575 HG LEU 79 HG LEU 79 -13.858 31.877 -30.818 576 HD11 LEU 79 1HD1 LEU 79 -12.801 29.729 -32.264 577 HD12 LEU 79 2HD1 LEU 79 -12.837 31.428 -32.734 578 HD13 LEU 79 3HD1 LEU 79 -14.139 30.348 -33.233 579 HD21 LEU 79 3HD2 LEU 79 -16.150 31.699 -30.745 580 HD22 LEU 79 1HD2 LEU 79 -16.152 30.054 -31.380 581 HD23 LEU 79 2HD2 LEU 79 -15.841 31.414 -32.459 582 H VAL 80 H VAL 80 -12.408 32.511 -28.333 583 HA VAL 80 HA VAL 80 -13.618 32.053 -25.707 584 HB VAL 80 HB VAL 80 -11.378 33.110 -25.809 585 HG11 VAL 80 1HG1 VAL 80 -11.755 34.353 -27.918 586 HG12 VAL 80 2HG1 VAL 80 -12.819 35.456 -27.043 587 HG13 VAL 80 3HG1 VAL 80 -11.108 35.362 -26.625 588 HG21 VAL 80 3HG2 VAL 80 -13.666 34.695 -24.665 589 HG22 VAL 80 1HG2 VAL 80 -12.629 33.526 -23.847 590 HG23 VAL 80 2HG2 VAL 80 -11.977 35.087 -24.345 591 H SER 81 H SER 81 -15.456 33.020 -25.037 592 HA SER 81 HA SER 81 -16.790 34.833 -26.941 593 HB2 SER 81 2HB SER 81 -17.701 32.383 -25.694 594 HB3 SER 81 3HB SER 81 -18.767 33.728 -25.290 595 HG SER 81 HG SER 81 -19.566 33.182 -27.187 596 HA PRO 82 HA PRO 82 -17.182 37.896 -23.826 597 HB2 PRO 82 2HB PRO 82 -19.670 38.882 -24.281 598 HB3 PRO 82 3HB PRO 82 -18.305 39.182 -25.363 599 HG2 PRO 82 2HG PRO 82 -20.518 37.181 -25.615 600 HG3 PRO 82 3HG PRO 82 -19.806 38.225 -26.859 601 HD2 PRO 82 2HD PRO 82 -19.150 35.610 -26.600 602 HD3 PRO 82 3HD PRO 82 -17.995 36.833 -27.169 603 H LYS 83 H LYS 83 -18.086 38.384 -21.804 604 HA LYS 83 HA LYS 83 -18.999 36.267 -20.265 605 HB2 LYS 83 2HB LYS 83 -17.995 38.174 -19.212 606 HB3 LYS 83 3HB LYS 83 -19.245 39.245 -19.832 607 HG2 LYS 83 2HG LYS 83 -20.698 38.713 -18.200 608 HG3 LYS 83 3HG LYS 83 -20.201 37.020 -18.162 609 HD2 LYS 83 2HD LYS 83 -18.898 37.396 -16.398 610 HD3 LYS 83 3HD LYS 83 -18.051 38.689 -17.251 611 HE2 LYS 83 2HE LYS 83 -19.671 40.303 -16.544 612 HE3 LYS 83 3HE LYS 83 -20.710 39.044 -15.878 613 HZ1 LYS 83 3HZ LYS 83 -19.297 40.332 -14.250 614 HZ2 LYS 83 1HZ LYS 83 -17.963 39.505 -14.880 615 HZ3 LYS 83 2HZ LYS 83 -19.216 38.646 -14.137 616 H ALA 84 H ALA 84 -20.989 35.593 -19.530 617 HA ALA 84 HA ALA 84 -23.423 36.937 -19.930 618 HB1 ALA 84 1HB ALA 84 -23.595 34.664 -21.748 619 HB2 ALA 84 2HB ALA 84 -24.177 36.318 -21.940 620 HB3 ALA 84 3HB ALA 84 -22.497 35.927 -22.307 621 H ALA 85 H ALA 85 -25.333 35.433 -19.597 622 HA ALA 85 HA ALA 85 -26.410 33.897 -18.309 623 HB1 ALA 85 1HB ALA 85 -25.056 32.388 -19.871 624 HB2 ALA 85 2HB ALA 85 -23.988 32.135 -18.489 625 HB3 ALA 85 3HB ALA 85 -25.687 31.675 -18.386 626 H LEU 86 H LEU 86 -26.017 32.404 -16.259 627 HA LEU 86 HA LEU 86 -24.481 34.048 -14.365 628 HB2 LEU 86 2HB LEU 86 -26.776 32.168 -13.829 629 HB3 LEU 86 3HB LEU 86 -25.962 33.180 -12.636 630 HG LEU 86 HG LEU 86 -27.507 34.266 -14.986 631 HD11 LEU 86 1HD1 LEU 86 -29.213 34.832 -13.224 632 HD12 LEU 86 2HD1 LEU 86 -28.370 33.708 -12.159 633 HD13 LEU 86 3HD1 LEU 86 -29.099 33.125 -13.655 634 HD21 LEU 86 3HD2 LEU 86 -25.686 35.645 -13.850 635 HD22 LEU 86 1HD2 LEU 86 -26.748 35.669 -12.442 636 HD23 LEU 86 2HD2 LEU 86 -27.291 36.367 -13.968 637 H ASN 87 H ASN 87 -22.852 33.183 -13.227 638 HA ASN 87 HA ASN 87 -22.381 30.290 -13.516 639 HB2 ASN 87 2HB ASN 87 -20.287 32.381 -12.916 640 HB3 ASN 87 3HB ASN 87 -20.030 30.710 -13.409 641 HD21 ASN 87 1HD2 ASN 87 -20.387 30.124 -15.560 642 HD22 ASN 87 2HD2 ASN 87 -20.445 31.301 -16.823 643 H ASP 88 H ASP 88 -21.884 29.067 -11.735 644 HA ASP 88 HA ASP 88 -21.846 28.433 -9.551 645 HB2 ASP 88 2HB ASP 88 -21.048 31.270 -8.897 646 HB3 ASP 88 3HB ASP 88 -20.695 29.811 -7.976 647 H GLU 89 H GLU 89 -22.794 28.978 -7.323 648 HA GLU 89 HA GLU 89 -25.548 29.427 -7.610 649 HB2 GLU 89 2HB GLU 89 -25.536 29.544 -5.090 650 HB3 GLU 89 3HB GLU 89 -24.814 28.098 -5.782 651 HG2 GLU 89 2HG GLU 89 -22.965 30.326 -5.256 652 HG3 GLU 89 3HG GLU 89 -23.680 29.562 -3.838 Start of MODEL 11 1 H SER 1 H SER 1 4.508 5.121 -2.145 2 HA SER 1 HA SER 1 4.388 2.488 -2.999 3 HB2 SER 1 2HB SER 1 1.875 2.102 -2.570 4 HB3 SER 1 3HB SER 1 2.983 1.835 -1.225 5 HG SER 1 HG SER 1 1.576 4.258 -1.674 6 HA PRO 2 HA PRO 2 2.976 5.892 -5.858 7 HB2 PRO 2 2HB PRO 2 4.915 5.479 -7.712 8 HB3 PRO 2 3HB PRO 2 5.130 6.546 -6.319 9 HG2 PRO 2 2HG PRO 2 6.044 3.721 -6.700 10 HG3 PRO 2 3HG PRO 2 6.918 5.095 -5.998 11 HD2 PRO 2 2HD PRO 2 5.733 3.192 -4.479 12 HD3 PRO 2 3HD PRO 2 5.865 4.884 -3.959 13 H LYS 3 H LYS 3 1.746 5.596 -7.676 14 HA LYS 3 HA LYS 3 1.506 2.825 -8.645 15 HB2 LYS 3 2HB LYS 3 -0.798 3.228 -9.090 16 HB3 LYS 3 3HB LYS 3 -0.483 3.837 -7.471 17 HG2 LYS 3 2HG LYS 3 -0.192 6.118 -8.560 18 HG3 LYS 3 3HG LYS 3 -0.912 5.393 -9.999 19 HD2 LYS 3 2HD LYS 3 -2.900 5.893 -9.122 20 HD3 LYS 3 3HD LYS 3 -2.596 4.630 -7.926 21 HE2 LYS 3 2HE LYS 3 -1.381 7.276 -7.405 22 HE3 LYS 3 3HE LYS 3 -3.137 7.176 -7.279 23 HZ1 LYS 3 3HZ LYS 3 -1.167 5.516 -5.801 24 HZ2 LYS 3 1HZ LYS 3 -2.845 5.307 -5.733 25 HZ3 LYS 3 2HZ LYS 3 -2.146 6.734 -5.153 26 H THR 4 H THR 4 1.243 2.449 -10.869 27 HA THR 4 HA THR 4 1.984 4.713 -12.605 28 HB THR 4 HB THR 4 2.733 2.068 -13.618 29 HG1 THR 4 HG1 THR 4 3.438 1.516 -11.644 30 HG21 THR 4 3HG2 THR 4 3.888 4.812 -13.435 31 HG22 THR 4 1HG2 THR 4 3.627 3.793 -14.850 32 HG23 THR 4 2HG2 THR 4 4.967 3.454 -13.754 33 H ILE 5 H ILE 5 1.437 4.289 -14.945 34 HA ILE 5 HA ILE 5 -1.197 2.978 -15.101 35 HB ILE 5 HB ILE 5 -1.560 5.258 -15.520 36 HG12 ILE 5 2HG1 ILE 5 -2.174 3.442 -17.398 37 HG13 ILE 5 3HG1 ILE 5 -2.606 5.142 -17.544 38 HG21 ILE 5 1HG2 ILE 5 0.940 5.166 -17.193 39 HG22 ILE 5 2HG2 ILE 5 -0.181 6.527 -17.199 40 HG23 ILE 5 3HG2 ILE 5 0.657 6.082 -15.712 41 HD11 ILE 5 3HD1 ILE 5 -0.020 4.121 -18.641 42 HD12 ILE 5 1HD1 ILE 5 -1.524 3.957 -19.547 43 HD13 ILE 5 2HD1 ILE 5 -0.937 5.558 -19.096 44 H LEU 6 H LEU 6 -1.561 1.452 -16.614 45 HA LEU 6 HA LEU 6 0.700 0.728 -18.346 46 HB2 LEU 6 2HB LEU 6 -0.011 -1.487 -18.274 47 HB3 LEU 6 3HB LEU 6 -0.257 -0.899 -16.631 48 HG LEU 6 HG LEU 6 -2.706 -0.451 -17.710 49 HD11 LEU 6 1HD1 LEU 6 -2.148 -1.479 -19.830 50 HD12 LEU 6 2HD1 LEU 6 -3.323 -2.471 -18.966 51 HD13 LEU 6 3HD1 LEU 6 -1.626 -2.949 -19.007 52 HD21 LEU 6 3HD2 LEU 6 -3.426 -2.052 -16.242 53 HD22 LEU 6 1HD2 LEU 6 -1.794 -1.782 -15.630 54 HD23 LEU 6 2HD2 LEU 6 -2.130 -3.176 -16.657 55 H GLY 7 H GLY 7 -2.579 1.800 -18.344 56 HA2 GLY 7 2HA GLY 7 -2.531 1.816 -21.280 57 HA3 GLY 7 3HA GLY 7 -3.909 1.090 -20.467 58 H ILE 8 H ILE 8 -3.465 3.562 -22.212 59 HA ILE 8 HA ILE 8 -4.708 5.516 -20.390 60 HB ILE 8 HB ILE 8 -2.610 6.353 -21.261 61 HG12 ILE 8 2HG1 ILE 8 -4.985 7.644 -22.623 62 HG13 ILE 8 3HG1 ILE 8 -4.439 7.960 -20.979 63 HG21 ILE 8 1HG2 ILE 8 -2.496 4.941 -23.264 64 HG22 ILE 8 2HG2 ILE 8 -3.770 5.905 -24.008 65 HG23 ILE 8 3HG2 ILE 8 -2.210 6.639 -23.642 66 HD11 ILE 8 3HD1 ILE 8 -2.895 8.547 -23.494 67 HD12 ILE 8 1HD1 ILE 8 -3.752 9.723 -22.498 68 HD13 ILE 8 2HD1 ILE 8 -2.352 8.869 -21.848 69 H GLU 9 H GLU 9 -6.570 6.574 -21.015 70 HA GLU 9 HA GLU 9 -7.799 5.723 -23.547 71 HB2 GLU 9 2HB GLU 9 -8.647 4.985 -20.938 72 HB3 GLU 9 3HB GLU 9 -9.835 6.112 -21.579 73 HG2 GLU 9 2HG GLU 9 -9.807 4.642 -23.678 74 HG3 GLU 9 3HG GLU 9 -9.004 3.448 -22.660 75 H VAL 10 H VAL 10 -8.491 7.373 -24.734 76 HA VAL 10 HA VAL 10 -8.389 10.054 -23.687 77 HB VAL 10 HB VAL 10 -7.609 9.652 -25.949 78 HG11 VAL 10 1HG1 VAL 10 -8.693 8.443 -27.487 79 HG12 VAL 10 2HG1 VAL 10 -9.718 7.910 -26.153 80 HG13 VAL 10 3HG1 VAL 10 -10.226 9.256 -27.174 81 HG21 VAL 10 3HG2 VAL 10 -9.512 11.619 -25.201 82 HG22 VAL 10 1HG2 VAL 10 -8.218 11.739 -26.394 83 HG23 VAL 10 2HG2 VAL 10 -9.818 11.178 -26.881 84 H SER 11 H SER 11 -10.016 11.105 -22.773 85 HA SER 11 HA SER 11 -12.765 10.491 -23.590 86 HB2 SER 11 2HB SER 11 -12.142 9.256 -21.458 87 HB3 SER 11 3HB SER 11 -12.003 10.836 -20.687 88 HG SER 11 HG SER 11 -14.117 11.063 -20.734 89 H GLN 12 H GLN 12 -10.957 12.692 -24.192 90 HA GLN 12 HA GLN 12 -12.223 14.918 -22.757 91 HB2 GLN 12 2HB GLN 12 -10.410 16.282 -23.894 92 HB3 GLN 12 3HB GLN 12 -9.868 15.128 -22.683 93 HG2 GLN 12 2HG GLN 12 -9.948 14.014 -25.371 94 HG3 GLN 12 3HG GLN 12 -8.865 15.396 -25.217 95 HE21 GLN 12 1HE2 GLN 12 -9.693 12.954 -22.811 96 HE22 GLN 12 2HE2 GLN 12 -8.092 12.334 -22.625 97 H GLU 13 H GLU 13 -13.639 16.227 -23.732 98 HA GLU 13 HA GLU 13 -14.113 15.819 -26.606 99 HB2 GLU 13 2HB GLU 13 -15.920 16.665 -24.353 100 HB3 GLU 13 3HB GLU 13 -16.358 16.937 -26.034 101 HG2 GLU 13 2HG GLU 13 -17.322 14.931 -25.876 102 HG3 GLU 13 3HG GLU 13 -15.685 14.316 -26.098 103 HA PRO 14 HA PRO 14 -12.953 19.932 -27.598 104 HB2 PRO 14 2HB PRO 14 -14.710 20.531 -29.579 105 HB3 PRO 14 3HB PRO 14 -13.369 19.399 -29.794 106 HG2 PRO 14 2HG PRO 14 -16.256 18.831 -29.246 107 HG3 PRO 14 3HG PRO 14 -15.153 18.028 -30.378 108 HD2 PRO 14 2HD PRO 14 -15.774 16.981 -27.959 109 HD3 PRO 14 3HD PRO 14 -14.190 16.743 -28.725 110 H LYS 15 H LYS 15 -13.322 21.891 -26.754 111 HA LYS 15 HA LYS 15 -15.817 23.178 -26.642 112 HB2 LYS 15 2HB LYS 15 -16.370 21.538 -24.935 113 HB3 LYS 15 3HB LYS 15 -14.902 21.925 -24.047 114 HG2 LYS 15 2HG LYS 15 -16.700 22.990 -22.935 115 HG3 LYS 15 3HG LYS 15 -15.789 24.250 -23.770 116 HD2 LYS 15 2HD LYS 15 -17.816 24.890 -24.511 117 HD3 LYS 15 3HD LYS 15 -17.602 23.577 -25.672 118 HE2 LYS 15 2HE LYS 15 -18.621 22.493 -23.242 119 HE3 LYS 15 3HE LYS 15 -19.612 23.878 -23.698 120 HZ1 LYS 15 3HZ LYS 15 -19.120 22.377 -26.000 121 HZ2 LYS 15 1HZ LYS 15 -20.595 22.615 -25.206 122 HZ3 LYS 15 2HZ LYS 15 -19.616 21.298 -24.795 123 H LYS 16 H LYS 16 -13.309 23.041 -24.128 124 HA LYS 16 HA LYS 16 -12.276 24.896 -23.148 125 HB2 LYS 16 2HB LYS 16 -10.454 25.654 -24.809 126 HB3 LYS 16 3HB LYS 16 -10.486 23.963 -24.325 127 HG2 LYS 16 2HG LYS 16 -12.030 24.650 -26.741 128 HG3 LYS 16 3HG LYS 16 -10.274 24.776 -26.868 129 HD2 LYS 16 2HD LYS 16 -11.689 22.339 -25.803 130 HD3 LYS 16 3HD LYS 16 -11.248 22.541 -27.500 131 HE2 LYS 16 2HE LYS 16 -8.990 22.386 -27.069 132 HE3 LYS 16 3HE LYS 16 -9.165 22.918 -25.397 133 HZ1 LYS 16 3HZ LYS 16 -9.673 20.838 -24.690 134 HZ2 LYS 16 1HZ LYS 16 -8.720 20.412 -26.022 135 HZ3 LYS 16 2HZ LYS 16 -10.406 20.380 -26.145 136 H ASP 17 H ASP 17 -14.174 26.285 -23.034 137 HA ASP 17 HA ASP 17 -13.943 28.576 -24.872 138 HB2 ASP 17 2HB ASP 17 -16.004 27.340 -25.350 139 HB3 ASP 17 3HB ASP 17 -16.481 27.462 -23.659 140 H TYR 18 H TYR 18 -13.377 30.386 -23.878 141 HA TYR 18 HA TYR 18 -14.014 30.673 -21.015 142 HB2 TYR 18 2HB TYR 18 -11.761 32.224 -22.171 143 HB3 TYR 18 3HB TYR 18 -11.930 31.504 -20.575 144 HD1 TYR 18 HD2 TYR 18 -12.164 28.759 -20.813 145 HD2 TYR 18 HD1 TYR 18 -10.024 31.367 -23.406 146 HE1 TYR 18 HE2 TYR 18 -10.728 26.885 -21.503 147 HE2 TYR 18 HE1 TYR 18 -8.584 29.499 -24.105 148 HH TYR 18 HH TYR 18 -8.076 26.897 -22.580 149 H LEU 19 H LEU 19 -14.933 32.543 -20.324 150 HA LEU 19 HA LEU 19 -15.945 34.332 -22.381 151 HB2 LEU 19 2HB LEU 19 -17.361 35.234 -20.612 152 HB3 LEU 19 3HB LEU 19 -17.504 33.481 -20.732 153 HG LEU 19 HG LEU 19 -15.740 33.515 -18.789 154 HD11 LEU 19 1HD1 LEU 19 -15.211 35.523 -18.016 155 HD12 LEU 19 2HD1 LEU 19 -16.888 35.734 -17.514 156 HD13 LEU 19 3HD1 LEU 19 -16.366 36.294 -19.103 157 HD21 LEU 19 3HD2 LEU 19 -17.727 33.787 -17.177 158 HD22 LEU 19 1HD2 LEU 19 -17.796 32.501 -18.383 159 HD23 LEU 19 2HD2 LEU 19 -18.695 33.997 -18.637 160 H VAL 20 H VAL 20 -15.480 36.483 -22.554 161 HA VAL 20 HA VAL 20 -12.981 37.426 -21.811 162 HB VAL 20 HB VAL 20 -13.808 39.683 -22.387 163 HG11 VAL 20 1HG1 VAL 20 -13.528 37.486 -24.039 164 HG12 VAL 20 2HG1 VAL 20 -15.054 38.207 -24.555 165 HG13 VAL 20 3HG1 VAL 20 -13.579 39.174 -24.546 166 HG21 VAL 20 3HG2 VAL 20 -16.201 39.760 -23.282 167 HG22 VAL 20 1HG2 VAL 20 -16.463 38.279 -22.360 168 HG23 VAL 20 2HG2 VAL 20 -15.991 39.763 -21.531 169 H GLY 21 H GLY 21 -12.147 38.343 -20.035 170 HA2 GLY 21 2HA GLY 21 -12.337 39.835 -18.148 171 HA3 GLY 21 3HA GLY 21 -14.005 39.312 -17.961 172 H ASP 22 H ASP 22 -12.283 36.606 -18.663 173 HA ASP 22 HA ASP 22 -11.356 36.100 -15.945 174 HB2 ASP 22 2HB ASP 22 -13.859 35.428 -16.309 175 HB3 ASP 22 3HB ASP 22 -13.173 34.066 -17.190 176 H SER 23 H SER 23 -12.008 34.425 -19.029 177 HA SER 23 HA SER 23 -10.691 33.141 -20.367 178 HB2 SER 23 2HB SER 23 -8.175 33.985 -19.013 179 HB3 SER 23 3HB SER 23 -8.536 33.844 -20.734 180 HG SER 23 HG SER 23 -9.694 35.770 -20.609 181 H LEU 24 H LEU 24 -9.534 31.156 -20.383 182 HA LEU 24 HA LEU 24 -8.942 29.112 -19.582 183 HB2 LEU 24 2HB LEU 24 -7.902 31.014 -17.621 184 HB3 LEU 24 3HB LEU 24 -8.190 29.405 -16.962 185 HG LEU 24 HG LEU 24 -6.745 29.330 -19.486 186 HD11 LEU 24 1HD1 LEU 24 -4.679 30.277 -18.727 187 HD12 LEU 24 2HD1 LEU 24 -5.380 30.670 -17.158 188 HD13 LEU 24 3HD1 LEU 24 -5.936 31.508 -18.607 189 HD21 LEU 24 3HD2 LEU 24 -5.975 28.365 -16.737 190 HD22 LEU 24 1HD2 LEU 24 -5.365 27.792 -18.290 191 HD23 LEU 24 2HD2 LEU 24 -7.040 27.481 -17.831 192 H ASP 25 H ASP 25 -10.641 27.807 -19.381 193 HA ASP 25 HA ASP 25 -11.812 27.246 -16.894 194 HB2 ASP 25 2HB ASP 25 -12.895 29.526 -17.724 195 HB3 ASP 25 3HB ASP 25 -13.905 28.427 -18.660 196 H LEU 26 H LEU 26 -10.711 25.525 -18.514 197 HA LEU 26 HA LEU 26 -12.742 24.318 -20.228 198 HB2 LEU 26 2HB LEU 26 -10.565 24.459 -21.194 199 HB3 LEU 26 3HB LEU 26 -9.827 23.721 -19.774 200 HG LEU 26 HG LEU 26 -10.990 21.600 -20.335 201 HD11 LEU 26 1HD1 LEU 26 -11.570 22.723 -23.041 202 HD12 LEU 26 2HD1 LEU 26 -12.740 22.917 -21.736 203 HD13 LEU 26 3HD1 LEU 26 -12.246 21.302 -22.244 204 HD21 LEU 26 3HD2 LEU 26 -9.101 21.055 -21.363 205 HD22 LEU 26 1HD2 LEU 26 -8.738 22.771 -21.552 206 HD23 LEU 26 2HD2 LEU 26 -9.608 21.910 -22.822 207 H SER 27 H SER 27 -13.962 22.661 -19.609 208 HA SER 27 HA SER 27 -13.042 20.956 -17.402 209 HB2 SER 27 2HB SER 27 -15.291 22.780 -17.354 210 HB3 SER 27 3HB SER 27 -15.825 21.118 -17.106 211 HG SER 27 HG SER 27 -13.679 22.301 -15.681 212 H GLU 28 H GLU 28 -13.729 21.004 -20.503 213 HA GLU 28 HA GLU 28 -15.337 18.546 -20.525 214 HB2 GLU 28 2HB GLU 28 -14.969 20.793 -22.412 215 HB3 GLU 28 3HB GLU 28 -15.107 19.199 -23.141 216 HG2 GLU 28 2HG GLU 28 -17.101 19.891 -21.075 217 HG3 GLU 28 3HG GLU 28 -17.208 20.751 -22.610 218 H GLY 29 H GLY 29 -12.166 19.735 -20.955 219 HA2 GLY 29 2HA GLY 29 -11.316 17.469 -22.587 220 HA3 GLY 29 3HA GLY 29 -10.315 18.824 -22.084 221 H ARG 30 H ARG 30 -11.926 15.907 -20.875 222 HA ARG 30 HA ARG 30 -9.884 15.751 -18.759 223 HB2 ARG 30 2HB ARG 30 -11.411 14.538 -17.421 224 HB3 ARG 30 3HB ARG 30 -12.335 15.871 -18.101 225 HG2 ARG 30 2HG ARG 30 -12.620 13.778 -19.924 226 HG3 ARG 30 3HG ARG 30 -12.767 13.040 -18.328 227 HD2 ARG 30 2HD ARG 30 -14.452 14.743 -17.733 228 HD3 ARG 30 3HD ARG 30 -14.337 15.396 -19.367 229 HE ARG 30 HE ARG 30 -14.922 12.677 -19.571 230 HH11 ARG 30 1HH1 ARG 30 -16.400 15.603 -18.399 231 HH12 ARG 30 2HH1 ARG 30 -18.018 15.061 -18.702 232 HH21 ARG 30 1HH2 ARG 30 -17.047 11.953 -19.975 233 HH22 ARG 30 2HH2 ARG 30 -18.384 12.985 -19.598 234 H PHE 31 H PHE 31 -8.968 13.686 -18.275 235 HA PHE 31 HA PHE 31 -9.168 11.724 -20.460 236 HB2 PHE 31 2HB PHE 31 -6.625 11.344 -19.802 237 HB3 PHE 31 3HB PHE 31 -7.096 12.561 -20.984 238 HD1 PHE 31 HD1 PHE 31 -7.046 14.928 -20.422 239 HD2 PHE 31 HD2 PHE 31 -5.784 11.963 -17.642 240 HE1 PHE 31 HE1 PHE 31 -5.943 16.666 -19.074 241 HE2 PHE 31 HE2 PHE 31 -4.680 13.696 -16.289 242 HZ PHE 31 HZ PHE 31 -4.759 16.051 -17.004 243 H ALA 32 H ALA 32 -8.886 9.554 -19.894 244 HA ALA 32 HA ALA 32 -9.155 9.021 -17.011 245 HB1 ALA 32 1HB ALA 32 -11.019 8.394 -18.655 246 HB2 ALA 32 2HB ALA 32 -9.941 7.098 -19.175 247 HB3 ALA 32 3HB ALA 32 -10.490 7.170 -17.501 248 H VAL 33 H VAL 33 -7.461 8.139 -16.042 249 HA VAL 33 HA VAL 33 -5.504 6.663 -17.669 250 HB VAL 33 HB VAL 33 -4.658 8.650 -16.443 251 HG11 VAL 33 1HG1 VAL 33 -4.655 7.311 -13.843 252 HG12 VAL 33 2HG1 VAL 33 -4.972 8.998 -14.252 253 HG13 VAL 33 3HG1 VAL 33 -6.256 7.797 -14.399 254 HG21 VAL 33 3HG2 VAL 33 -2.768 7.400 -15.277 255 HG22 VAL 33 1HG2 VAL 33 -3.608 5.922 -15.748 256 HG23 VAL 33 2HG2 VAL 33 -3.030 7.040 -16.984 257 H ALA 34 H ALA 34 -5.183 4.553 -17.342 258 HA ALA 34 HA ALA 34 -6.594 3.280 -15.100 259 HB1 ALA 34 1HB ALA 34 -7.246 1.721 -16.539 260 HB2 ALA 34 2HB ALA 34 -6.517 2.677 -17.831 261 HB3 ALA 34 3HB ALA 34 -5.581 1.411 -17.034 262 H TYR 35 H TYR 35 -5.349 2.859 -13.403 263 HA TYR 35 HA TYR 35 -2.493 2.604 -13.635 264 HB2 TYR 35 2HB TYR 35 -4.190 2.083 -11.191 265 HB3 TYR 35 3HB TYR 35 -2.475 2.476 -11.240 266 HD1 TYR 35 HD1 TYR 35 -1.804 4.787 -12.079 267 HD2 TYR 35 HD2 TYR 35 -5.802 3.778 -11.032 268 HE1 TYR 35 HE1 TYR 35 -2.341 7.177 -11.852 269 HE2 TYR 35 HE2 TYR 35 -6.351 6.164 -10.804 270 HH TYR 35 HH TYR 35 -5.095 8.304 -10.333 271 H SER 36 H SER 36 -1.423 0.748 -12.373 272 HA SER 36 HA SER 36 -2.226 -1.705 -13.640 273 HB2 SER 36 2HB SER 36 0.057 -0.972 -11.806 274 HB3 SER 36 3HB SER 36 -0.210 -2.622 -12.371 275 HG SER 36 HG SER 36 1.182 -1.663 -13.800 276 H ASN 37 H ASN 37 -3.127 -0.177 -10.823 277 HA ASN 37 HA ASN 37 -3.558 -2.642 -9.315 278 HB2 ASN 37 2HB ASN 37 -2.661 -0.514 -8.245 279 HB3 ASN 37 3HB ASN 37 -4.274 0.160 -8.452 280 HD21 ASN 37 1HD2 ASN 37 -5.656 -0.120 -6.858 281 HD22 ASN 37 2HD2 ASN 37 -5.524 -1.293 -5.595 282 H ASP 38 H ASP 38 -5.034 -1.867 -11.809 283 HA ASP 38 HA ASP 38 -7.144 -2.012 -12.646 284 HB2 ASP 38 2HB ASP 38 -7.045 -4.020 -10.997 285 HB3 ASP 38 3HB ASP 38 -8.102 -3.034 -9.989 286 H THR 39 H THR 39 -6.289 0.406 -11.233 287 HA THR 39 HA THR 39 -8.906 1.420 -10.333 288 HB THR 39 HB THR 39 -7.273 3.352 -9.471 289 HG1 THR 39 HG1 THR 39 -5.286 2.591 -8.936 290 HG21 THR 39 3HG2 THR 39 -8.816 1.485 -8.290 291 HG22 THR 39 1HG2 THR 39 -7.805 2.618 -7.394 292 HG23 THR 39 2HG2 THR 39 -7.229 0.981 -7.709 293 H MET 40 H MET 40 -9.585 3.483 -11.041 294 HA MET 40 HA MET 40 -8.133 4.565 -13.358 295 HB2 MET 40 2HB MET 40 -10.898 3.547 -13.216 296 HB3 MET 40 3HB MET 40 -10.715 5.100 -14.020 297 HG2 MET 40 2HG MET 40 -9.071 4.123 -15.537 298 HG3 MET 40 3HG MET 40 -9.255 2.567 -14.731 299 HE1 MET 40 3HE MET 40 -10.666 2.626 -18.388 300 HE2 MET 40 1HE MET 40 -10.778 4.358 -18.075 301 HE3 MET 40 2HE MET 40 -9.331 3.469 -17.601 302 H GLU 41 H GLU 41 -8.225 6.786 -13.634 303 HA GLU 41 HA GLU 41 -9.669 8.317 -11.583 304 HB2 GLU 41 2HB GLU 41 -6.949 7.943 -11.512 305 HB3 GLU 41 3HB GLU 41 -7.090 9.468 -12.374 306 HG2 GLU 41 2HG GLU 41 -7.013 10.267 -10.262 307 HG3 GLU 41 3HG GLU 41 -8.752 10.012 -10.388 308 H GLU 42 H GLU 42 -10.694 10.093 -12.310 309 HA GLU 42 HA GLU 42 -10.185 10.904 -15.098 310 HB2 GLU 42 2HB GLU 42 -12.550 11.494 -15.271 311 HB3 GLU 42 3HB GLU 42 -12.357 9.799 -14.847 312 HG2 GLU 42 2HG GLU 42 -13.917 10.258 -13.312 313 HG3 GLU 42 3HG GLU 42 -12.554 10.893 -12.391 314 H HIS 43 H HIS 43 -9.837 13.014 -15.512 315 HA HIS 43 HA HIS 43 -10.583 15.062 -13.611 316 HB2 HIS 43 2HB HIS 43 -7.872 13.995 -13.743 317 HB3 HIS 43 3HB HIS 43 -7.924 15.731 -14.033 318 HD1 HIS 43 HD1 HIS 43 -6.883 14.060 -11.422 319 HD2 HIS 43 HD2 HIS 43 -10.304 16.388 -11.792 320 HE1 HIS 43 HE1 HIS 43 -7.485 14.747 -9.079 321 H SER 44 H SER 44 -10.789 17.060 -14.537 322 HA SER 44 HA SER 44 -10.123 17.233 -17.404 323 HB2 SER 44 2HB SER 44 -12.194 19.085 -16.582 324 HB3 SER 44 3HB SER 44 -12.233 17.858 -17.848 325 HG SER 44 HG SER 44 -12.640 16.322 -16.119 326 H PHE 45 H PHE 45 -8.693 18.737 -17.932 327 HA PHE 45 HA PHE 45 -7.142 20.402 -17.630 328 HB2 PHE 45 2HB PHE 45 -9.376 21.483 -18.373 329 HB3 PHE 45 3HB PHE 45 -9.465 22.078 -16.719 330 HD1 PHE 45 HD1 PHE 45 -7.640 22.267 -19.890 331 HD2 PHE 45 HD2 PHE 45 -7.998 23.808 -15.939 332 HE1 PHE 45 HE1 PHE 45 -6.196 24.163 -20.502 333 HE2 PHE 45 HE2 PHE 45 -6.556 25.707 -16.545 334 HZ PHE 45 HZ PHE 45 -5.653 25.886 -18.829 335 H THR 46 H THR 46 -6.364 19.148 -15.690 336 HA THR 46 HA THR 46 -5.932 20.959 -13.531 337 HB THR 46 HB THR 46 -8.118 20.193 -12.801 338 HG1 THR 46 HG1 THR 46 -6.517 20.478 -11.180 339 HG21 THR 46 3HG2 THR 46 -8.841 18.049 -12.828 340 HG22 THR 46 1HG2 THR 46 -7.268 17.401 -12.365 341 HG23 THR 46 2HG2 THR 46 -7.577 17.856 -14.041 342 H ASP 47 H ASP 47 -5.764 17.642 -14.717 343 HA ASP 47 HA ASP 47 -3.557 16.913 -13.039 344 HB2 ASP 47 2HB ASP 47 -5.363 15.566 -14.745 345 HB3 ASP 47 3HB ASP 47 -3.749 15.257 -15.380 346 H GLU 48 H GLU 48 -1.397 16.755 -13.554 347 HA GLU 48 HA GLU 48 -0.541 18.396 -15.813 348 HB2 GLU 48 2HB GLU 48 0.385 18.040 -13.160 349 HB3 GLU 48 3HB GLU 48 1.649 17.445 -14.227 350 HG2 GLU 48 2HG GLU 48 1.069 19.747 -15.468 351 HG3 GLU 48 3HG GLU 48 0.650 20.186 -13.813 352 H GLY 49 H GLY 49 -1.528 15.563 -16.013 353 HA2 GLY 49 2HA GLY 49 0.812 14.031 -16.751 354 HA3 GLY 49 3HA GLY 49 -0.863 13.519 -16.898 355 H VAL 50 H VAL 50 -1.631 15.933 -18.385 356 HA VAL 50 HA VAL 50 -0.441 15.192 -20.975 357 HB VAL 50 HB VAL 50 -2.478 15.915 -22.041 358 HG11 VAL 50 1HG1 VAL 50 -3.938 14.433 -20.091 359 HG12 VAL 50 2HG1 VAL 50 -3.326 13.900 -21.658 360 HG13 VAL 50 3HG1 VAL 50 -2.313 13.762 -20.221 361 HG21 VAL 50 3HG2 VAL 50 -4.419 16.673 -20.695 362 HG22 VAL 50 1HG2 VAL 50 -3.369 16.733 -19.279 363 HG23 VAL 50 2HG2 VAL 50 -3.060 17.796 -20.652 364 H GLU 51 H GLU 51 0.459 16.716 -22.259 365 HA GLU 51 HA GLU 51 0.576 19.450 -21.179 366 HB2 GLU 51 2HB GLU 51 2.499 17.855 -22.859 367 HB3 GLU 51 3HB GLU 51 2.622 19.603 -22.725 368 HG2 GLU 51 2HG GLU 51 3.627 19.462 -20.757 369 HG3 GLU 51 3HG GLU 51 2.383 18.384 -20.125 370 H ILE 52 H ILE 52 -0.340 21.053 -22.277 371 HA ILE 52 HA ILE 52 -1.314 20.502 -24.991 372 HB ILE 52 HB ILE 52 -2.128 22.854 -23.305 373 HG12 ILE 52 2HG1 ILE 52 -2.539 20.859 -21.959 374 HG13 ILE 52 3HG1 ILE 52 -4.062 21.520 -22.545 375 HG21 ILE 52 1HG2 ILE 52 -4.265 21.986 -24.816 376 HG22 ILE 52 2HG2 ILE 52 -3.193 23.331 -25.205 377 HG23 ILE 52 3HG2 ILE 52 -2.879 21.731 -25.876 378 HD11 ILE 52 3HD1 ILE 52 -2.622 19.055 -23.450 379 HD12 ILE 52 1HD1 ILE 52 -4.256 19.210 -22.806 380 HD13 ILE 52 2HD1 ILE 52 -3.884 19.812 -24.422 381 H SER 53 H SER 53 -0.735 21.719 -26.718 382 HA SER 53 HA SER 53 0.894 24.112 -26.289 383 HB2 SER 53 2HB SER 53 1.898 21.565 -27.237 384 HB3 SER 53 3HB SER 53 2.120 22.822 -28.454 385 HG SER 53 HG SER 53 3.641 22.410 -26.413 386 H GLY 54 H GLY 54 0.543 25.697 -27.754 387 HA2 GLY 54 2HA GLY 54 0.076 26.269 -30.112 388 HA3 GLY 54 3HA GLY 54 -1.154 25.015 -30.076 389 H TYR 55 H TYR 55 -1.884 25.899 -27.282 390 HA TYR 55 HA TYR 55 -3.857 27.838 -28.107 391 HB2 TYR 55 2HB TYR 55 -4.756 26.239 -26.665 392 HB3 TYR 55 3HB TYR 55 -3.353 26.263 -25.603 393 HD1 TYR 55 HD1 TYR 55 -5.573 28.991 -26.867 394 HD2 TYR 55 HD2 TYR 55 -4.043 26.901 -23.491 395 HE1 TYR 55 HE1 TYR 55 -6.737 30.562 -25.375 396 HE2 TYR 55 HE2 TYR 55 -5.204 28.465 -21.990 397 HH TYR 55 HH TYR 55 -7.164 31.136 -23.278 398 H ASP 56 H ASP 56 -3.759 29.968 -27.838 399 HA ASP 56 HA ASP 56 -1.509 31.074 -26.319 400 HB2 ASP 56 2HB ASP 56 -3.079 31.957 -28.672 401 HB3 ASP 56 3HB ASP 56 -2.556 33.226 -27.568 402 H ALA 57 H ALA 57 -2.058 31.360 -24.242 403 HA ALA 57 HA ALA 57 -4.642 31.852 -23.269 404 HB1 ALA 57 1HB ALA 57 -2.876 30.956 -21.862 405 HB2 ALA 57 2HB ALA 57 -1.984 32.473 -21.986 406 HB3 ALA 57 3HB ALA 57 -3.539 32.430 -21.155 407 H GLN 58 H GLN 58 -2.407 33.931 -24.792 408 HA GLN 58 HA GLN 58 -3.452 36.361 -23.612 409 HB2 GLN 58 2HB GLN 58 -1.261 35.661 -25.484 410 HB3 GLN 58 3HB GLN 58 -1.972 37.259 -25.669 411 HG2 GLN 58 2HG GLN 58 -1.502 37.735 -23.316 412 HG3 GLN 58 3HG GLN 58 -0.771 36.140 -23.147 413 HE21 GLN 58 1HE2 GLN 58 1.219 35.729 -24.108 414 HE22 GLN 58 2HE2 GLN 58 2.255 36.999 -24.653 415 H LYS 59 H LYS 59 -3.878 34.453 -26.499 416 HA LYS 59 HA LYS 59 -6.239 35.975 -27.181 417 HB2 LYS 59 2HB LYS 59 -3.718 36.236 -28.670 418 HB3 LYS 59 3HB LYS 59 -5.111 35.859 -29.675 419 HG2 LYS 59 2HG LYS 59 -6.228 37.825 -29.060 420 HG3 LYS 59 3HG LYS 59 -5.158 38.101 -27.683 421 HD2 LYS 59 2HD LYS 59 -3.353 38.111 -29.676 422 HD3 LYS 59 3HD LYS 59 -4.766 38.707 -30.549 423 HE2 LYS 59 2HE LYS 59 -4.792 40.667 -29.428 424 HE3 LYS 59 3HE LYS 59 -4.289 39.926 -27.910 425 HZ1 LYS 59 3HZ LYS 59 -2.255 39.930 -29.954 426 HZ2 LYS 59 1HZ LYS 59 -2.151 40.363 -28.321 427 HZ3 LYS 59 2HZ LYS 59 -2.726 41.477 -29.456 428 H THR 60 H THR 60 -7.752 34.743 -28.175 429 HA THR 60 HA THR 60 -7.001 31.962 -28.759 430 HB THR 60 HB THR 60 -9.682 31.841 -28.742 431 HG1 THR 60 HG1 THR 60 -9.178 33.759 -26.719 432 HG21 THR 60 3HG2 THR 60 -9.513 30.823 -26.652 433 HG22 THR 60 1HG2 THR 60 -8.258 31.934 -26.103 434 HG23 THR 60 2HG2 THR 60 -7.875 30.688 -27.291 435 H GLY 61 H GLY 61 -9.819 33.798 -29.866 436 HA2 GLY 61 2HA GLY 61 -10.745 33.963 -31.968 437 HA3 GLY 61 3HA GLY 61 -9.116 34.428 -32.437 438 H ARG 62 H ARG 62 -10.638 31.360 -31.442 439 HA ARG 62 HA ARG 62 -10.700 29.310 -32.427 440 HB2 ARG 62 2HB ARG 62 -11.558 30.804 -34.354 441 HB3 ARG 62 3HB ARG 62 -9.957 30.584 -35.046 442 HG2 ARG 62 2HG ARG 62 -11.029 28.047 -34.256 443 HG3 ARG 62 3HG ARG 62 -12.179 28.900 -35.288 444 HD2 ARG 62 2HD ARG 62 -9.276 28.692 -36.014 445 HD3 ARG 62 3HD ARG 62 -10.415 27.404 -36.407 446 HE ARG 62 HE ARG 62 -11.530 29.766 -37.330 447 HH11 ARG 62 1HH1 ARG 62 -8.681 27.855 -37.927 448 HH12 ARG 62 2HH1 ARG 62 -8.543 28.342 -39.584 449 HH21 ARG 62 1HH2 ARG 62 -11.359 30.414 -39.510 450 HH22 ARG 62 2HH2 ARG 62 -10.066 29.798 -40.483 451 H GLN 63 H GLN 63 -8.659 29.135 -31.111 452 HA GLN 63 HA GLN 63 -6.265 28.881 -32.790 453 HB2 GLN 63 2HB GLN 63 -6.736 29.386 -29.900 454 HB3 GLN 63 3HB GLN 63 -5.306 28.455 -30.326 455 HG2 GLN 63 2HG GLN 63 -5.745 30.927 -31.867 456 HG3 GLN 63 3HG GLN 63 -5.353 31.129 -30.160 457 HE21 GLN 63 1HE2 GLN 63 -4.286 28.721 -32.523 458 HE22 GLN 63 2HE2 GLN 63 -2.599 29.066 -32.374 459 H THR 64 H THR 64 -5.086 26.976 -32.885 460 HA THR 64 HA THR 64 -6.631 24.571 -32.387 461 HB THR 64 HB THR 64 -4.460 23.528 -33.448 462 HG1 THR 64 HG1 THR 64 -4.300 26.120 -34.575 463 HG21 THR 64 3HG2 THR 64 -5.369 24.133 -35.733 464 HG22 THR 64 1HG2 THR 64 -6.531 25.165 -34.901 465 HG23 THR 64 2HG2 THR 64 -6.528 23.425 -34.608 466 H LEU 65 H LEU 65 -6.078 22.920 -31.013 467 HA LEU 65 HA LEU 65 -3.800 23.416 -29.212 468 HB2 LEU 65 2HB LEU 65 -6.485 22.245 -28.502 469 HB3 LEU 65 3HB LEU 65 -5.116 22.402 -27.405 470 HG LEU 65 HG LEU 65 -5.361 24.960 -28.045 471 HD11 LEU 65 1HD1 LEU 65 -8.240 24.500 -27.969 472 HD12 LEU 65 2HD1 LEU 65 -7.476 23.951 -29.460 473 HD13 LEU 65 3HD1 LEU 65 -7.294 25.627 -28.941 474 HD21 LEU 65 3HD2 LEU 65 -5.459 24.278 -25.793 475 HD22 LEU 65 1HD2 LEU 65 -6.956 23.380 -26.046 476 HD23 LEU 65 2HD2 LEU 65 -6.968 25.143 -26.087 477 H THR 66 H THR 66 -2.523 21.697 -28.682 478 HA THR 66 HA THR 66 -3.278 19.058 -29.736 479 HB THR 66 HB THR 66 -0.472 19.241 -29.952 480 HG1 THR 66 HG1 THR 66 -0.082 21.114 -30.923 481 HG21 THR 66 3HG2 THR 66 -1.806 17.835 -31.362 482 HG22 THR 66 1HG2 THR 66 -0.975 18.997 -32.394 483 HG23 THR 66 2HG2 THR 66 -2.681 19.223 -32.008 484 H LEU 67 H LEU 67 -3.448 17.795 -28.002 485 HA LEU 67 HA LEU 67 -1.625 18.191 -25.744 486 HB2 LEU 67 2HB LEU 67 -3.186 17.182 -24.387 487 HB3 LEU 67 3HB LEU 67 -4.199 18.012 -25.567 488 HG LEU 67 HG LEU 67 -4.090 15.645 -26.765 489 HD11 LEU 67 1HD1 LEU 67 -4.380 14.387 -24.208 490 HD12 LEU 67 2HD1 LEU 67 -2.782 15.120 -24.339 491 HD13 LEU 67 3HD1 LEU 67 -3.321 13.958 -25.551 492 HD21 LEU 67 3HD2 LEU 67 -5.890 16.015 -24.386 493 HD22 LEU 67 1HD2 LEU 67 -6.240 15.213 -25.917 494 HD23 LEU 67 2HD2 LEU 67 -6.065 16.967 -25.861 495 H HIS 68 H HIS 68 -0.071 16.773 -25.232 496 HA HIS 68 HA HIS 68 -0.030 14.195 -26.659 497 HB2 HIS 68 2HB HIS 68 1.699 16.110 -27.258 498 HB3 HIS 68 3HB HIS 68 2.524 15.500 -25.826 499 HD1 HIS 68 HD1 HIS 68 4.424 14.186 -26.732 500 HD2 HIS 68 HD2 HIS 68 0.868 13.354 -28.713 501 HE1 HIS 68 HE1 HIS 68 4.958 12.302 -28.310 502 H TYR 69 H TYR 69 -0.440 12.651 -25.222 503 HA TYR 69 HA TYR 69 1.118 12.597 -22.746 504 HB2 TYR 69 2HB TYR 69 -0.984 13.560 -22.049 505 HB3 TYR 69 3HB TYR 69 -1.888 12.310 -22.897 506 HD1 TYR 69 HD1 TYR 69 1.112 11.827 -20.767 507 HD2 TYR 69 HD2 TYR 69 -3.099 11.337 -21.129 508 HE1 TYR 69 HE1 TYR 69 1.102 10.456 -18.725 509 HE2 TYR 69 HE2 TYR 69 -3.121 9.966 -19.087 510 HH TYR 69 HH TYR 69 -0.943 8.434 -17.878 511 H GLN 70 H GLN 70 1.934 10.642 -22.323 512 HA GLN 70 HA GLN 70 2.424 8.429 -22.504 513 HB2 GLN 70 2HB GLN 70 -0.446 8.599 -22.395 514 HB3 GLN 70 3HB GLN 70 0.032 7.257 -23.427 515 HG2 GLN 70 2HG GLN 70 1.536 7.401 -20.933 516 HG3 GLN 70 3HG GLN 70 -0.198 7.178 -20.706 517 HE21 GLN 70 1HE2 GLN 70 2.746 5.720 -21.552 518 HE22 GLN 70 2HE2 GLN 70 2.132 4.157 -21.959 519 H GLY 71 H GLY 71 2.458 10.272 -24.889 520 HA2 GLY 71 2HA GLY 71 3.464 9.844 -26.971 521 HA3 GLY 71 3HA GLY 71 2.940 8.171 -26.856 522 H HIS 72 H HIS 72 0.196 9.347 -26.071 523 HA HIS 72 HA HIS 72 -0.859 9.305 -28.749 524 HB2 HIS 72 2HB HIS 72 -1.872 8.909 -26.086 525 HB3 HIS 72 3HB HIS 72 -2.892 10.062 -26.942 526 HD1 HIS 72 HD1 HIS 72 -1.329 6.675 -27.739 527 HD2 HIS 72 HD2 HIS 72 -4.849 8.810 -28.305 528 HE1 HIS 72 HE1 HIS 72 -2.873 5.114 -28.966 529 H GLU 73 H GLU 73 -1.745 10.966 -29.901 530 HA GLU 73 HA GLU 73 -1.505 13.659 -28.727 531 HB2 GLU 73 2HB GLU 73 0.158 12.941 -30.591 532 HB3 GLU 73 3HB GLU 73 -1.215 13.142 -31.670 533 HG2 GLU 73 2HG GLU 73 -1.442 15.464 -30.962 534 HG3 GLU 73 3HG GLU 73 -0.072 15.266 -29.870 535 H VAL 74 H VAL 74 -3.213 15.001 -28.922 536 HA VAL 74 HA VAL 74 -5.427 14.198 -30.681 537 HB VAL 74 HB VAL 74 -5.862 15.222 -27.877 538 HG11 VAL 74 1HG1 VAL 74 -7.672 15.649 -29.463 539 HG12 VAL 74 2HG1 VAL 74 -7.729 13.932 -29.866 540 HG13 VAL 74 3HG1 VAL 74 -8.156 14.472 -28.242 541 HG21 VAL 74 3HG2 VAL 74 -6.709 12.720 -27.666 542 HG22 VAL 74 1HG2 VAL 74 -5.469 12.459 -28.893 543 HG23 VAL 74 2HG2 VAL 74 -5.035 13.164 -27.336 544 H SER 75 H SER 75 -6.625 15.863 -31.558 545 HA SER 75 HA SER 75 -5.487 18.550 -31.180 546 HB2 SER 75 2HB SER 75 -5.295 17.611 -33.464 547 HB3 SER 75 3HB SER 75 -7.051 17.469 -33.538 548 HG SER 75 HG SER 75 -6.616 19.387 -34.479 549 H PHE 76 H PHE 76 -6.850 20.346 -30.991 550 HA PHE 76 HA PHE 76 -9.715 19.920 -30.763 551 HB2 PHE 76 2HB PHE 76 -7.951 20.668 -28.442 552 HB3 PHE 76 3HB PHE 76 -9.646 21.142 -28.490 553 HD1 PHE 76 HD2 PHE 76 -11.394 19.325 -28.693 554 HD2 PHE 76 HD1 PHE 76 -7.318 18.528 -27.762 555 HE1 PHE 76 HE2 PHE 76 -12.033 17.127 -27.794 556 HE2 PHE 76 HE1 PHE 76 -7.951 16.327 -26.861 557 HZ PHE 76 HZ PHE 76 -10.311 15.624 -26.876 558 H ASP 77 H ASP 77 -10.803 22.080 -30.148 559 HA ASP 77 HA ASP 77 -9.318 24.323 -31.341 560 HB2 ASP 77 2HB ASP 77 -11.639 25.017 -32.266 561 HB3 ASP 77 3HB ASP 77 -10.740 23.754 -33.103 562 H VAL 78 H VAL 78 -9.491 26.237 -30.311 563 HA VAL 78 HA VAL 78 -11.364 26.378 -28.037 564 HB VAL 78 HB VAL 78 -8.985 26.246 -27.349 565 HG11 VAL 78 1HG1 VAL 78 -7.359 27.601 -28.122 566 HG12 VAL 78 2HG1 VAL 78 -8.449 27.795 -29.496 567 HG13 VAL 78 3HG1 VAL 78 -8.423 29.004 -28.211 568 HG21 VAL 78 3HG2 VAL 78 -10.925 28.213 -26.584 569 HG22 VAL 78 1HG2 VAL 78 -9.759 27.348 -25.583 570 HG23 VAL 78 2HG2 VAL 78 -9.300 28.861 -26.366 571 H LEU 79 H LEU 79 -12.593 28.183 -27.791 572 HA LEU 79 HA LEU 79 -12.103 30.490 -29.516 573 HB2 LEU 79 2HB LEU 79 -14.148 28.545 -29.964 574 HB3 LEU 79 3HB LEU 79 -14.896 30.077 -29.520 575 HG LEU 79 HG LEU 79 -12.959 30.716 -31.439 576 HD11 LEU 79 1HD1 LEU 79 -13.022 29.208 -33.125 577 HD12 LEU 79 2HD1 LEU 79 -14.655 28.670 -32.735 578 HD13 LEU 79 3HD1 LEU 79 -13.286 28.088 -31.788 579 HD21 LEU 79 3HD2 LEU 79 -15.240 31.692 -31.001 580 HD22 LEU 79 1HD2 LEU 79 -15.907 30.339 -31.914 581 HD23 LEU 79 2HD2 LEU 79 -14.815 31.480 -32.700 582 H VAL 80 H VAL 80 -12.568 32.392 -28.562 583 HA VAL 80 HA VAL 80 -13.666 32.290 -25.848 584 HB VAL 80 HB VAL 80 -11.464 33.386 -26.197 585 HG11 VAL 80 1HG1 VAL 80 -12.897 35.667 -27.501 586 HG12 VAL 80 2HG1 VAL 80 -11.170 35.305 -27.467 587 HG13 VAL 80 3HG1 VAL 80 -12.255 34.340 -28.469 588 HG21 VAL 80 3HG2 VAL 80 -12.443 34.111 -24.246 589 HG22 VAL 80 1HG2 VAL 80 -12.239 35.637 -25.106 590 HG23 VAL 80 2HG2 VAL 80 -13.814 34.844 -25.078 591 H SER 81 H SER 81 -15.556 33.205 -25.302 592 HA SER 81 HA SER 81 -17.114 34.459 -27.443 593 HB2 SER 81 2HB SER 81 -18.546 33.971 -24.954 594 HB3 SER 81 3HB SER 81 -18.907 33.406 -26.585 595 HG SER 81 HG SER 81 -18.291 31.819 -24.824 596 HA PRO 82 HA PRO 82 -17.114 38.472 -25.673 597 HB2 PRO 82 2HB PRO 82 -19.681 39.280 -26.032 598 HB3 PRO 82 3HB PRO 82 -18.530 39.119 -27.363 599 HG2 PRO 82 2HG PRO 82 -20.671 37.227 -26.471 600 HG3 PRO 82 3HG PRO 82 -20.220 37.711 -28.116 601 HD2 PRO 82 2HD PRO 82 -19.426 35.367 -27.018 602 HD3 PRO 82 3HD PRO 82 -18.433 36.258 -28.189 603 H LYS 83 H LYS 83 -19.077 36.018 -24.336 604 HA LYS 83 HA LYS 83 -18.816 36.899 -21.704 605 HB2 LYS 83 2HB LYS 83 -20.773 38.365 -23.028 606 HB3 LYS 83 3HB LYS 83 -21.683 37.152 -22.137 607 HG2 LYS 83 2HG LYS 83 -20.521 37.842 -20.073 608 HG3 LYS 83 3HG LYS 83 -19.703 39.110 -20.990 609 HD2 LYS 83 2HD LYS 83 -22.375 39.461 -21.617 610 HD3 LYS 83 3HD LYS 83 -22.398 39.039 -19.903 611 HE2 LYS 83 2HE LYS 83 -20.688 40.797 -19.507 612 HE3 LYS 83 3HE LYS 83 -20.827 41.262 -21.201 613 HZ1 LYS 83 3HZ LYS 83 -22.398 42.646 -20.472 614 HZ2 LYS 83 1HZ LYS 83 -22.572 41.847 -18.991 615 HZ3 LYS 83 2HZ LYS 83 -23.393 41.283 -20.358 616 H ALA 84 H ALA 84 -20.428 35.697 -20.212 617 HA ALA 84 HA ALA 84 -21.865 33.470 -21.128 618 HB1 ALA 84 1HB ALA 84 -20.438 31.720 -21.156 619 HB2 ALA 84 2HB ALA 84 -19.258 32.974 -21.537 620 HB3 ALA 84 3HB ALA 84 -19.419 32.389 -19.881 621 H ALA 85 H ALA 85 -22.126 35.517 -19.182 622 HA ALA 85 HA ALA 85 -21.631 34.508 -16.562 623 HB1 ALA 85 1HB ALA 85 -21.801 36.859 -16.804 624 HB2 ALA 85 2HB ALA 85 -23.378 36.735 -17.585 625 HB3 ALA 85 3HB ALA 85 -23.209 36.347 -15.873 626 H LEU 86 H LEU 86 -22.858 33.263 -15.271 627 HA LEU 86 HA LEU 86 -25.664 32.944 -15.554 628 HB2 LEU 86 2HB LEU 86 -24.433 31.536 -17.439 629 HB3 LEU 86 3HB LEU 86 -24.271 30.382 -16.116 630 HG LEU 86 HG LEU 86 -26.826 30.652 -15.863 631 HD11 LEU 86 1HD1 LEU 86 -26.566 32.600 -17.687 632 HD12 LEU 86 2HD1 LEU 86 -28.041 31.656 -17.478 633 HD13 LEU 86 3HD1 LEU 86 -26.899 31.236 -18.755 634 HD21 LEU 86 3HD2 LEU 86 -27.173 29.005 -17.759 635 HD22 LEU 86 1HD2 LEU 86 -25.949 28.579 -16.564 636 HD23 LEU 86 2HD2 LEU 86 -25.463 29.224 -18.132 637 H ASN 87 H ASN 87 -22.889 30.908 -14.602 638 HA ASN 87 HA ASN 87 -24.115 30.656 -11.936 639 HB2 ASN 87 2HB ASN 87 -23.674 28.580 -13.432 640 HB3 ASN 87 3HB ASN 87 -21.986 28.812 -12.987 641 HD21 ASN 87 1HD2 ASN 87 -25.146 27.924 -11.889 642 HD22 ASN 87 2HD2 ASN 87 -24.663 27.296 -10.354 643 H ASP 88 H ASP 88 -22.880 30.981 -10.101 644 HA ASP 88 HA ASP 88 -20.270 32.273 -10.556 645 HB2 ASP 88 2HB ASP 88 -20.677 33.658 -8.634 646 HB3 ASP 88 3HB ASP 88 -22.092 33.754 -9.679 647 H GLU 89 H GLU 89 -19.284 32.365 -8.033 648 HA GLU 89 HA GLU 89 -18.386 29.680 -7.651 649 HB2 GLU 89 2HB GLU 89 -17.669 32.338 -6.688 650 HB3 GLU 89 3HB GLU 89 -17.547 31.113 -5.433 651 HG2 GLU 89 2HG GLU 89 -15.942 29.895 -6.610 652 HG3 GLU 89 3HG GLU 89 -16.309 30.710 -8.129 Start of MODEL 12 1 H SER 1 H SER 1 4.359 1.302 0.374 2 HA SER 1 HA SER 1 4.494 0.114 -2.147 3 HB2 SER 1 2HB SER 1 2.137 -0.583 -1.723 4 HB3 SER 1 3HB SER 1 3.205 -0.893 -0.354 5 HG SER 1 HG SER 1 1.282 0.067 0.350 6 HA PRO 2 HA PRO 2 2.945 4.140 -3.908 7 HB2 PRO 2 2HB PRO 2 4.745 4.225 -5.939 8 HB3 PRO 2 3HB PRO 2 5.076 4.886 -4.333 9 HG2 PRO 2 2HG PRO 2 5.903 2.259 -5.507 10 HG3 PRO 2 3HG PRO 2 6.851 3.398 -4.532 11 HD2 PRO 2 2HD PRO 2 5.732 1.165 -3.486 12 HD3 PRO 2 3HD PRO 2 5.935 2.660 -2.550 13 H LYS 3 H LYS 3 1.461 4.240 -5.506 14 HA LYS 3 HA LYS 3 1.205 1.887 -7.259 15 HB2 LYS 3 2HB LYS 3 -1.151 2.235 -7.300 16 HB3 LYS 3 3HB LYS 3 -0.653 2.340 -5.617 17 HG2 LYS 3 2HG LYS 3 -0.675 4.805 -5.805 18 HG3 LYS 3 3HG LYS 3 -1.288 4.641 -7.452 19 HD2 LYS 3 2HD LYS 3 -3.370 4.293 -6.729 20 HD3 LYS 3 3HD LYS 3 -2.836 3.074 -5.570 21 HE2 LYS 3 2HE LYS 3 -3.743 4.708 -4.202 22 HE3 LYS 3 3HE LYS 3 -2.025 5.102 -4.181 23 HZ1 LYS 3 3HZ LYS 3 -2.340 6.969 -5.420 24 HZ2 LYS 3 1HZ LYS 3 -3.830 6.928 -4.620 25 HZ3 LYS 3 2HZ LYS 3 -3.710 6.371 -6.212 26 H THR 4 H THR 4 1.168 2.141 -9.422 27 HA THR 4 HA THR 4 1.210 4.898 -10.467 28 HB THR 4 HB THR 4 2.545 3.599 -12.399 29 HG1 THR 4 HG1 THR 4 3.248 1.736 -11.708 30 HG21 THR 4 3HG2 THR 4 4.649 4.219 -10.859 31 HG22 THR 4 1HG2 THR 4 3.386 5.066 -9.967 32 HG23 THR 4 2HG2 THR 4 3.665 5.438 -11.668 33 H ILE 5 H ILE 5 0.640 5.005 -12.830 34 HA ILE 5 HA ILE 5 -1.892 3.750 -13.234 35 HB ILE 5 HB ILE 5 -2.150 5.095 -15.109 36 HG12 ILE 5 2HG1 ILE 5 -0.246 4.346 -16.400 37 HG13 ILE 5 3HG1 ILE 5 -0.234 6.105 -16.345 38 HG21 ILE 5 1HG2 ILE 5 -0.123 6.655 -13.521 39 HG22 ILE 5 2HG2 ILE 5 -1.472 7.287 -14.463 40 HG23 ILE 5 3HG2 ILE 5 -1.779 6.371 -12.988 41 HD11 ILE 5 3HD1 ILE 5 1.478 4.245 -14.715 42 HD12 ILE 5 1HD1 ILE 5 1.997 5.258 -16.062 43 HD13 ILE 5 2HD1 ILE 5 1.455 6.001 -14.557 44 H LEU 6 H LEU 6 -2.279 2.909 -15.628 45 HA LEU 6 HA LEU 6 -0.139 1.211 -16.590 46 HB2 LEU 6 2HB LEU 6 -2.050 0.213 -14.771 47 HB3 LEU 6 3HB LEU 6 -2.456 -0.450 -16.352 48 HG LEU 6 HG LEU 6 0.271 -0.676 -15.085 49 HD11 LEU 6 1HD1 LEU 6 -2.162 -2.384 -14.867 50 HD12 LEU 6 2HD1 LEU 6 -0.962 -1.970 -13.644 51 HD13 LEU 6 3HD1 LEU 6 -0.571 -3.144 -14.901 52 HD21 LEU 6 3HD2 LEU 6 0.762 -1.172 -17.222 53 HD22 LEU 6 1HD2 LEU 6 -0.924 -1.466 -17.651 54 HD23 LEU 6 2HD2 LEU 6 0.011 -2.722 -16.840 55 H GLY 7 H GLY 7 -3.546 2.147 -16.815 56 HA2 GLY 7 2HA GLY 7 -3.317 1.883 -19.750 57 HA3 GLY 7 3HA GLY 7 -4.795 1.512 -18.875 58 H ILE 8 H ILE 8 -4.721 3.315 -20.999 59 HA ILE 8 HA ILE 8 -5.509 5.768 -19.604 60 HB ILE 8 HB ILE 8 -3.279 6.251 -20.414 61 HG12 ILE 8 2HG1 ILE 8 -5.406 7.523 -22.150 62 HG13 ILE 8 3HG1 ILE 8 -4.938 8.049 -20.537 63 HG21 ILE 8 1HG2 ILE 8 -3.745 6.143 -23.253 64 HG22 ILE 8 2HG2 ILE 8 -2.448 5.424 -22.300 65 HG23 ILE 8 3HG2 ILE 8 -3.966 4.554 -22.521 66 HD11 ILE 8 3HD1 ILE 8 -3.975 9.463 -22.267 67 HD12 ILE 8 1HD1 ILE 8 -2.724 8.621 -21.353 68 HD13 ILE 8 2HD1 ILE 8 -3.165 8.062 -22.967 69 H GLU 9 H GLU 9 -7.206 6.875 -20.533 70 HA GLU 9 HA GLU 9 -8.270 5.913 -23.080 71 HB2 GLU 9 2HB GLU 9 -9.319 5.065 -20.627 72 HB3 GLU 9 3HB GLU 9 -10.425 6.312 -21.187 73 HG2 GLU 9 2HG GLU 9 -10.531 5.090 -23.377 74 HG3 GLU 9 3HG GLU 9 -9.643 3.780 -22.601 75 H VAL 10 H VAL 10 -8.872 7.558 -24.323 76 HA VAL 10 HA VAL 10 -8.757 10.243 -23.373 77 HB VAL 10 HB VAL 10 -8.092 9.763 -25.646 78 HG11 VAL 10 1HG1 VAL 10 -9.193 8.338 -26.943 79 HG12 VAL 10 2HG1 VAL 10 -10.397 8.139 -25.667 80 HG13 VAL 10 3HG1 VAL 10 -10.623 9.369 -26.911 81 HG21 VAL 10 3HG2 VAL 10 -9.316 11.941 -24.970 82 HG22 VAL 10 1HG2 VAL 10 -9.055 11.603 -26.681 83 HG23 VAL 10 2HG2 VAL 10 -10.636 11.312 -25.956 84 H SER 11 H SER 11 -10.307 11.373 -22.421 85 HA SER 11 HA SER 11 -13.112 10.757 -23.047 86 HB2 SER 11 2HB SER 11 -12.057 9.919 -20.720 87 HB3 SER 11 3HB SER 11 -12.499 11.561 -20.252 88 HG SER 11 HG SER 11 -14.278 10.330 -19.868 89 H GLN 12 H GLN 12 -11.272 12.870 -23.931 90 HA GLN 12 HA GLN 12 -12.095 15.278 -22.579 91 HB2 GLN 12 2HB GLN 12 -10.731 16.443 -24.179 92 HB3 GLN 12 3HB GLN 12 -9.855 15.018 -23.639 93 HG2 GLN 12 2HG GLN 12 -9.476 14.920 -25.884 94 HG3 GLN 12 3HG GLN 12 -10.926 13.925 -25.758 95 HE21 GLN 12 1HE2 GLN 12 -10.356 17.427 -25.826 96 HE22 GLN 12 2HE2 GLN 12 -11.427 17.749 -27.142 97 H GLU 13 H GLU 13 -13.704 16.634 -23.120 98 HA GLU 13 HA GLU 13 -15.366 15.886 -25.427 99 HB2 GLU 13 2HB GLU 13 -15.955 16.959 -22.729 100 HB3 GLU 13 3HB GLU 13 -16.947 17.575 -24.043 101 HG2 GLU 13 2HG GLU 13 -17.217 15.049 -24.638 102 HG3 GLU 13 3HG GLU 13 -16.744 14.810 -22.956 103 HA PRO 14 HA PRO 14 -14.447 19.629 -27.529 104 HB2 PRO 14 2HB PRO 14 -16.781 20.050 -28.851 105 HB3 PRO 14 3HB PRO 14 -15.639 18.777 -29.299 106 HG2 PRO 14 2HG PRO 14 -18.152 18.585 -27.684 107 HG3 PRO 14 3HG PRO 14 -17.553 17.502 -28.953 108 HD2 PRO 14 2HD PRO 14 -17.293 16.941 -26.317 109 HD3 PRO 14 3HD PRO 14 -16.097 16.428 -27.525 110 H LYS 15 H LYS 15 -14.380 21.689 -26.896 111 HA LYS 15 HA LYS 15 -16.635 23.240 -26.223 112 HB2 LYS 15 2HB LYS 15 -15.495 21.701 -24.066 113 HB3 LYS 15 3HB LYS 15 -15.305 23.421 -23.750 114 HG2 LYS 15 2HG LYS 15 -17.888 21.992 -24.347 115 HG3 LYS 15 3HG LYS 15 -17.360 22.600 -22.776 116 HD2 LYS 15 2HD LYS 15 -17.221 24.889 -23.926 117 HD3 LYS 15 3HD LYS 15 -18.175 24.151 -25.216 118 HE2 LYS 15 2HE LYS 15 -19.791 23.447 -23.358 119 HE3 LYS 15 3HE LYS 15 -18.928 24.602 -22.343 120 HZ1 LYS 15 3HZ LYS 15 -20.024 26.272 -23.273 121 HZ2 LYS 15 1HZ LYS 15 -20.999 25.144 -24.073 122 HZ3 LYS 15 2HZ LYS 15 -19.624 25.766 -24.837 123 H LYS 16 H LYS 16 -13.474 23.282 -24.618 124 HA LYS 16 HA LYS 16 -11.922 24.963 -24.484 125 HB2 LYS 16 2HB LYS 16 -11.823 23.732 -26.921 126 HB3 LYS 16 3HB LYS 16 -11.957 25.421 -27.392 127 HG2 LYS 16 2HG LYS 16 -9.712 25.327 -27.237 128 HG3 LYS 16 3HG LYS 16 -10.047 25.644 -25.533 129 HD2 LYS 16 2HD LYS 16 -8.552 23.843 -25.503 130 HD3 LYS 16 3HD LYS 16 -10.135 23.096 -25.271 131 HE2 LYS 16 2HE LYS 16 -10.184 22.238 -27.429 132 HE3 LYS 16 3HE LYS 16 -8.983 23.387 -28.018 133 HZ1 LYS 16 3HZ LYS 16 -7.455 22.154 -26.342 134 HZ2 LYS 16 1HZ LYS 16 -7.762 21.470 -27.859 135 HZ3 LYS 16 2HZ LYS 16 -8.587 20.906 -26.494 136 H ASP 17 H ASP 17 -14.431 25.994 -24.002 137 HA ASP 17 HA ASP 17 -14.250 28.642 -25.281 138 HB2 ASP 17 2HB ASP 17 -16.678 26.983 -24.649 139 HB3 ASP 17 3HB ASP 17 -16.788 28.736 -24.786 140 H TYR 18 H TYR 18 -14.278 30.385 -23.962 141 HA TYR 18 HA TYR 18 -15.049 30.073 -21.167 142 HB2 TYR 18 2HB TYR 18 -12.350 29.972 -21.967 143 HB3 TYR 18 3HB TYR 18 -12.588 31.571 -21.270 144 HD1 TYR 18 HD2 TYR 18 -13.305 27.978 -20.547 145 HD2 TYR 18 HD1 TYR 18 -12.402 31.828 -18.977 146 HE1 TYR 18 HE2 TYR 18 -13.138 27.013 -18.290 147 HE2 TYR 18 HE1 TYR 18 -12.231 30.873 -16.717 148 HH TYR 18 HH TYR 18 -12.430 29.051 -15.468 149 H LEU 19 H LEU 19 -15.391 32.082 -20.072 150 HA LEU 19 HA LEU 19 -16.357 34.143 -21.840 151 HB2 LEU 19 2HB LEU 19 -17.338 35.124 -19.922 152 HB3 LEU 19 3HB LEU 19 -17.547 33.380 -19.777 153 HG LEU 19 HG LEU 19 -15.247 33.763 -18.371 154 HD11 LEU 19 1HD1 LEU 19 -16.295 36.341 -18.701 155 HD12 LEU 19 2HD1 LEU 19 -15.006 35.830 -17.611 156 HD13 LEU 19 3HD1 LEU 19 -16.676 35.865 -17.046 157 HD21 LEU 19 3HD2 LEU 19 -16.861 33.783 -16.359 158 HD22 LEU 19 1HD2 LEU 19 -16.902 32.409 -17.464 159 HD23 LEU 19 2HD2 LEU 19 -18.133 33.666 -17.576 160 H VAL 20 H VAL 20 -15.609 36.229 -22.031 161 HA VAL 20 HA VAL 20 -12.882 36.703 -21.916 162 HB VAL 20 HB VAL 20 -13.370 39.053 -22.277 163 HG11 VAL 20 1HG1 VAL 20 -15.087 38.770 -24.167 164 HG12 VAL 20 2HG1 VAL 20 -13.596 37.829 -24.252 165 HG13 VAL 20 3HG1 VAL 20 -15.093 37.065 -23.717 166 HG21 VAL 20 3HG2 VAL 20 -16.029 39.454 -22.370 167 HG22 VAL 20 1HG2 VAL 20 -15.938 38.313 -21.029 168 HG23 VAL 20 2HG2 VAL 20 -15.037 39.827 -20.960 169 H GLY 21 H GLY 21 -11.504 37.680 -20.480 170 HA2 GLY 21 2HA GLY 21 -10.996 38.950 -18.530 171 HA3 GLY 21 3HA GLY 21 -12.603 38.593 -17.915 172 H ASP 22 H ASP 22 -11.895 35.711 -18.953 173 HA ASP 22 HA ASP 22 -10.395 34.944 -16.534 174 HB2 ASP 22 2HB ASP 22 -12.663 33.499 -17.916 175 HB3 ASP 22 3HB ASP 22 -11.684 32.793 -16.634 176 H SER 23 H SER 23 -10.285 35.091 -19.840 177 HA SER 23 HA SER 23 -8.883 34.230 -21.411 178 HB2 SER 23 2HB SER 23 -7.329 32.827 -19.252 179 HB3 SER 23 3HB SER 23 -6.741 33.540 -20.754 180 HG SER 23 HG SER 23 -6.278 35.167 -19.499 181 H LEU 24 H LEU 24 -8.253 32.218 -22.480 182 HA LEU 24 HA LEU 24 -10.280 30.287 -22.397 183 HB2 LEU 24 2HB LEU 24 -9.152 29.202 -24.105 184 HB3 LEU 24 3HB LEU 24 -8.648 30.882 -24.285 185 HG LEU 24 HG LEU 24 -7.010 28.712 -22.975 186 HD11 LEU 24 1HD1 LEU 24 -7.499 28.776 -25.583 187 HD12 LEU 24 2HD1 LEU 24 -5.914 28.359 -24.932 188 HD13 LEU 24 3HD1 LEU 24 -6.220 29.990 -25.530 189 HD21 LEU 24 3HD2 LEU 24 -5.232 30.576 -23.490 190 HD22 LEU 24 1HD2 LEU 24 -6.202 30.631 -22.018 191 HD23 LEU 24 2HD2 LEU 24 -6.638 31.638 -23.399 192 H ASP 25 H ASP 25 -10.472 28.321 -21.442 193 HA ASP 25 HA ASP 25 -8.281 26.987 -20.175 194 HB2 ASP 25 2HB ASP 25 -8.671 28.675 -18.465 195 HB3 ASP 25 3HB ASP 25 -10.387 28.278 -18.428 196 H LEU 26 H LEU 26 -9.126 25.406 -21.656 197 HA LEU 26 HA LEU 26 -11.687 24.393 -21.741 198 HB2 LEU 26 2HB LEU 26 -10.153 23.642 -23.353 199 HB3 LEU 26 3HB LEU 26 -9.012 23.091 -22.128 200 HG LEU 26 HG LEU 26 -10.657 21.298 -21.528 201 HD11 LEU 26 1HD1 LEU 26 -12.637 22.439 -22.488 202 HD12 LEU 26 2HD1 LEU 26 -12.444 20.778 -23.046 203 HD13 LEU 26 3HD1 LEU 26 -11.996 22.119 -24.100 204 HD21 LEU 26 3HD2 LEU 26 -9.067 21.529 -23.974 205 HD22 LEU 26 1HD2 LEU 26 -10.307 20.276 -24.034 206 HD23 LEU 26 2HD2 LEU 26 -9.096 20.257 -22.752 207 H SER 27 H SER 27 -12.934 23.209 -20.435 208 HA SER 27 HA SER 27 -11.677 21.923 -18.101 209 HB2 SER 27 2HB SER 27 -13.677 22.516 -16.781 210 HB3 SER 27 3HB SER 27 -12.851 23.952 -17.387 211 HG SER 27 HG SER 27 -15.147 24.013 -17.674 212 H GLU 28 H GLU 28 -13.294 21.409 -20.902 213 HA GLU 28 HA GLU 28 -14.911 19.186 -19.896 214 HB2 GLU 28 2HB GLU 28 -14.834 20.721 -22.465 215 HB3 GLU 28 3HB GLU 28 -15.514 19.100 -22.448 216 HG2 GLU 28 2HG GLU 28 -16.441 21.468 -20.843 217 HG3 GLU 28 3HG GLU 28 -17.277 20.701 -22.192 218 H GLY 29 H GLY 29 -11.905 19.841 -21.376 219 HA2 GLY 29 2HA GLY 29 -11.639 17.221 -22.599 220 HA3 GLY 29 3HA GLY 29 -10.421 18.488 -22.565 221 H ARG 30 H ARG 30 -11.955 15.950 -20.655 222 HA ARG 30 HA ARG 30 -9.614 15.958 -18.870 223 HB2 ARG 30 2HB ARG 30 -11.028 14.786 -17.243 224 HB3 ARG 30 3HB ARG 30 -11.733 16.328 -17.711 225 HG2 ARG 30 2HG ARG 30 -12.673 14.178 -19.398 226 HG3 ARG 30 3HG ARG 30 -12.988 13.860 -17.691 227 HD2 ARG 30 2HD ARG 30 -13.852 16.298 -17.645 228 HD3 ARG 30 3HD ARG 30 -13.935 16.130 -19.398 229 HE ARG 30 HE ARG 30 -15.810 14.865 -19.127 230 HH11 ARG 30 1HH1 ARG 30 -14.025 14.854 -16.138 231 HH12 ARG 30 2HH1 ARG 30 -15.237 13.976 -15.266 232 HH21 ARG 30 1HH2 ARG 30 -17.414 13.709 -17.989 233 HH22 ARG 30 2HH2 ARG 30 -17.164 13.324 -16.320 234 H PHE 31 H PHE 31 -8.726 13.918 -18.224 235 HA PHE 31 HA PHE 31 -9.229 11.761 -20.168 236 HB2 PHE 31 2HB PHE 31 -6.878 11.199 -20.111 237 HB3 PHE 31 3HB PHE 31 -7.041 12.909 -20.496 238 HD1 PHE 31 HD1 PHE 31 -6.640 14.604 -18.690 239 HD2 PHE 31 HD2 PHE 31 -5.670 10.485 -18.233 240 HE1 PHE 31 HE1 PHE 31 -5.139 15.168 -16.825 241 HE2 PHE 31 HE2 PHE 31 -4.167 11.042 -16.366 242 HZ PHE 31 HZ PHE 31 -3.901 13.386 -15.659 243 H ALA 32 H ALA 32 -9.121 9.627 -19.425 244 HA ALA 32 HA ALA 32 -9.395 9.359 -16.507 245 HB1 ALA 32 1HB ALA 32 -10.839 7.531 -16.851 246 HB2 ALA 32 2HB ALA 32 -11.340 8.755 -18.019 247 HB3 ALA 32 3HB ALA 32 -10.371 7.378 -18.545 248 H VAL 33 H VAL 33 -7.759 8.440 -15.476 249 HA VAL 33 HA VAL 33 -5.981 6.629 -16.970 250 HB VAL 33 HB VAL 33 -4.999 8.740 -15.972 251 HG11 VAL 33 1HG1 VAL 33 -4.840 7.435 -13.334 252 HG12 VAL 33 2HG1 VAL 33 -4.978 9.144 -13.752 253 HG13 VAL 33 3HG1 VAL 33 -6.410 8.114 -13.763 254 HG21 VAL 33 3HG2 VAL 33 -2.982 7.714 -15.745 255 HG22 VAL 33 1HG2 VAL 33 -3.617 6.457 -14.684 256 HG23 VAL 33 2HG2 VAL 33 -3.885 6.360 -16.424 257 H ALA 34 H ALA 34 -5.532 4.612 -16.207 258 HA ALA 34 HA ALA 34 -7.170 3.694 -13.948 259 HB1 ALA 34 1HB ALA 34 -7.501 2.596 -16.146 260 HB2 ALA 34 2HB ALA 34 -5.831 2.031 -16.077 261 HB3 ALA 34 3HB ALA 34 -6.998 1.481 -14.875 262 H TYR 35 H TYR 35 -6.172 3.448 -12.070 263 HA TYR 35 HA TYR 35 -3.304 3.356 -11.888 264 HB2 TYR 35 2HB TYR 35 -5.519 3.284 -9.846 265 HB3 TYR 35 3HB TYR 35 -3.828 3.092 -9.396 266 HD1 TYR 35 HD1 TYR 35 -6.234 5.421 -10.992 267 HD2 TYR 35 HD2 TYR 35 -2.421 4.968 -9.159 268 HE1 TYR 35 HE1 TYR 35 -5.983 7.867 -10.924 269 HE2 TYR 35 HE2 TYR 35 -2.160 7.412 -9.085 270 HH TYR 35 HH TYR 35 -3.029 9.375 -9.652 271 H SER 36 H SER 36 -2.113 1.693 -10.762 272 HA SER 36 HA SER 36 -2.729 -0.907 -11.703 273 HB2 SER 36 2HB SER 36 -0.710 -1.612 -10.575 274 HB3 SER 36 3HB SER 36 -0.414 -0.038 -11.314 275 HG SER 36 HG SER 36 0.355 -0.147 -9.156 276 H ASN 37 H ASN 37 -3.795 0.811 -9.007 277 HA ASN 37 HA ASN 37 -4.287 -1.578 -7.400 278 HB2 ASN 37 2HB ASN 37 -3.477 0.739 -6.506 279 HB3 ASN 37 3HB ASN 37 -5.177 1.181 -6.627 280 HD21 ASN 37 1HD2 ASN 37 -5.246 1.443 -4.372 281 HD22 ASN 37 2HD2 ASN 37 -5.329 0.080 -3.313 282 H ASP 38 H ASP 38 -5.660 -0.934 -9.989 283 HA ASP 38 HA ASP 38 -7.735 -1.114 -10.905 284 HB2 ASP 38 2HB ASP 38 -8.745 -2.077 -8.239 285 HB3 ASP 38 3HB ASP 38 -9.278 -2.546 -9.850 286 H THR 39 H THR 39 -7.553 1.321 -10.756 287 HA THR 39 HA THR 39 -10.024 2.337 -9.642 288 HB THR 39 HB THR 39 -8.259 4.343 -8.866 289 HG1 THR 39 HG1 THR 39 -7.324 1.938 -7.700 290 HG21 THR 39 3HG2 THR 39 -10.400 3.254 -7.812 291 HG22 THR 39 1HG2 THR 39 -9.227 4.081 -6.789 292 HG23 THR 39 2HG2 THR 39 -9.222 2.320 -6.891 293 H MET 40 H MET 40 -10.711 4.277 -10.594 294 HA MET 40 HA MET 40 -9.074 5.208 -12.859 295 HB2 MET 40 2HB MET 40 -11.967 4.470 -12.737 296 HB3 MET 40 3HB MET 40 -11.465 5.751 -13.833 297 HG2 MET 40 2HG MET 40 -9.916 4.228 -14.926 298 HG3 MET 40 3HG MET 40 -10.380 2.945 -13.811 299 HE1 MET 40 3HE MET 40 -12.717 5.283 -16.678 300 HE2 MET 40 1HE MET 40 -10.963 5.118 -16.592 301 HE3 MET 40 2HE MET 40 -11.892 4.096 -17.689 302 H GLU 41 H GLU 41 -8.898 7.378 -13.152 303 HA GLU 41 HA GLU 41 -10.511 9.131 -11.431 304 HB2 GLU 41 2HB GLU 41 -7.515 9.120 -11.747 305 HB3 GLU 41 3HB GLU 41 -8.388 10.534 -11.175 306 HG2 GLU 41 2HG GLU 41 -9.315 9.147 -9.337 307 HG3 GLU 41 3HG GLU 41 -8.283 7.824 -9.875 308 H GLU 42 H GLU 42 -11.276 10.921 -12.399 309 HA GLU 42 HA GLU 42 -10.285 11.524 -15.109 310 HB2 GLU 42 2HB GLU 42 -13.091 11.971 -14.083 311 HB3 GLU 42 3HB GLU 42 -12.519 12.196 -15.731 312 HG2 GLU 42 2HG GLU 42 -13.265 10.145 -16.121 313 HG3 GLU 42 3HG GLU 42 -11.871 9.578 -15.203 314 H HIS 43 H HIS 43 -9.731 13.580 -15.574 315 HA HIS 43 HA HIS 43 -10.599 15.783 -13.912 316 HB2 HIS 43 2HB HIS 43 -7.998 14.529 -13.555 317 HB3 HIS 43 3HB HIS 43 -7.854 16.234 -13.970 318 HD1 HIS 43 HD1 HIS 43 -10.294 17.320 -12.419 319 HD2 HIS 43 HD2 HIS 43 -7.536 14.626 -10.871 320 HE1 HIS 43 HE1 HIS 43 -10.434 17.576 -9.922 321 H SER 44 H SER 44 -10.500 17.737 -14.950 322 HA SER 44 HA SER 44 -9.531 17.655 -17.729 323 HB2 SER 44 2HB SER 44 -11.338 18.894 -18.393 324 HB3 SER 44 3HB SER 44 -12.059 18.137 -16.972 325 HG SER 44 HG SER 44 -12.390 20.127 -16.377 326 H PHE 45 H PHE 45 -7.819 18.848 -18.203 327 HA PHE 45 HA PHE 45 -6.000 20.205 -17.785 328 HB2 PHE 45 2HB PHE 45 -7.696 21.573 -19.043 329 HB3 PHE 45 3HB PHE 45 -8.203 22.254 -17.501 330 HD1 PHE 45 HD2 PHE 45 -4.868 21.548 -19.020 331 HD2 PHE 45 HD1 PHE 45 -7.500 24.426 -17.315 332 HE1 PHE 45 HE2 PHE 45 -3.110 23.258 -19.204 333 HE2 PHE 45 HE1 PHE 45 -5.746 26.142 -17.496 334 HZ PHE 45 HZ PHE 45 -3.547 25.559 -18.440 335 H THR 46 H THR 46 -5.693 19.107 -15.649 336 HA THR 46 HA THR 46 -5.225 21.058 -13.634 337 HB THR 46 HB THR 46 -7.606 20.784 -13.190 338 HG1 THR 46 HG1 THR 46 -7.345 19.940 -10.970 339 HG21 THR 46 3HG2 THR 46 -7.327 17.974 -12.314 340 HG22 THR 46 1HG2 THR 46 -7.364 18.248 -14.055 341 HG23 THR 46 2HG2 THR 46 -8.701 18.802 -13.047 342 H ASP 47 H ASP 47 -5.498 17.666 -14.517 343 HA ASP 47 HA ASP 47 -3.899 16.630 -12.423 344 HB2 ASP 47 2HB ASP 47 -5.479 15.441 -14.173 345 HB3 ASP 47 3HB ASP 47 -3.988 15.302 -15.101 346 H GLU 48 H GLU 48 -3.107 18.565 -15.046 347 HA GLU 48 HA GLU 48 -1.150 19.232 -15.996 348 HB2 GLU 48 2HB GLU 48 -0.332 18.299 -13.283 349 HB3 GLU 48 3HB GLU 48 0.928 18.676 -14.448 350 HG2 GLU 48 2HG GLU 48 -0.566 20.872 -14.717 351 HG3 GLU 48 3HG GLU 48 -0.961 20.460 -13.049 352 H GLY 49 H GLY 49 -2.167 16.421 -16.372 353 HA2 GLY 49 2HA GLY 49 0.309 14.964 -16.918 354 HA3 GLY 49 3HA GLY 49 -1.321 14.314 -17.015 355 H VAL 50 H VAL 50 -2.105 16.792 -18.583 356 HA VAL 50 HA VAL 50 -1.054 15.856 -21.170 357 HB VAL 50 HB VAL 50 -3.611 17.398 -20.751 358 HG11 VAL 50 1HG1 VAL 50 -2.598 17.442 -23.005 359 HG12 VAL 50 2HG1 VAL 50 -2.681 15.679 -23.049 360 HG13 VAL 50 3HG1 VAL 50 -4.164 16.632 -22.974 361 HG21 VAL 50 3HG2 VAL 50 -4.410 14.871 -21.364 362 HG22 VAL 50 1HG2 VAL 50 -3.026 14.558 -20.317 363 HG23 VAL 50 2HG2 VAL 50 -4.367 15.543 -19.734 364 H GLU 51 H GLU 51 -0.326 17.319 -22.686 365 HA GLU 51 HA GLU 51 -0.088 20.114 -21.783 366 HB2 GLU 51 2HB GLU 51 1.970 18.378 -23.144 367 HB3 GLU 51 3HB GLU 51 2.106 20.128 -23.054 368 HG2 GLU 51 2HG GLU 51 1.615 19.348 -20.442 369 HG3 GLU 51 3HG GLU 51 2.713 18.120 -21.069 370 H ILE 52 H ILE 52 -0.626 21.663 -23.212 371 HA ILE 52 HA ILE 52 -1.348 20.790 -25.933 372 HB ILE 52 HB ILE 52 -2.602 22.818 -24.111 373 HG12 ILE 52 2HG1 ILE 52 -4.677 21.646 -24.951 374 HG13 ILE 52 3HG1 ILE 52 -3.617 20.510 -25.778 375 HG21 ILE 52 1HG2 ILE 52 -2.736 22.734 -27.114 376 HG22 ILE 52 2HG2 ILE 52 -3.972 23.508 -26.123 377 HG23 ILE 52 3HG2 ILE 52 -2.309 24.095 -26.077 378 HD11 ILE 52 3HD1 ILE 52 -3.141 20.924 -22.893 379 HD12 ILE 52 1HD1 ILE 52 -4.609 20.063 -23.355 380 HD13 ILE 52 2HD1 ILE 52 -3.033 19.458 -23.867 381 H SER 53 H SER 53 -0.604 21.913 -27.668 382 HA SER 53 HA SER 53 1.100 24.254 -27.125 383 HB2 SER 53 2HB SER 53 1.840 21.724 -28.266 384 HB3 SER 53 3HB SER 53 2.038 22.989 -29.478 385 HG SER 53 HG SER 53 3.234 22.784 -26.927 386 H GLY 54 H GLY 54 1.132 25.887 -28.689 387 HA2 GLY 54 2HA GLY 54 0.506 26.891 -30.739 388 HA3 GLY 54 3HA GLY 54 -0.665 25.604 -30.984 389 H TYR 55 H TYR 55 -1.126 26.390 -27.888 390 HA TYR 55 HA TYR 55 -3.465 27.972 -28.500 391 HB2 TYR 55 2HB TYR 55 -4.274 27.274 -26.497 392 HB3 TYR 55 3HB TYR 55 -3.005 26.063 -26.646 393 HD1 TYR 55 HD2 TYR 55 -4.064 29.116 -24.927 394 HD2 TYR 55 HD1 TYR 55 -0.997 26.189 -25.283 395 HE1 TYR 55 HE2 TYR 55 -3.079 29.899 -22.813 396 HE2 TYR 55 HE1 TYR 55 -0.004 26.963 -23.170 397 HH TYR 55 HH TYR 55 -0.498 29.760 -21.822 398 H ASP 56 H ASP 56 -3.849 30.073 -27.937 399 HA ASP 56 HA ASP 56 -1.535 31.585 -26.915 400 HB2 ASP 56 2HB ASP 56 -3.701 32.434 -28.847 401 HB3 ASP 56 3HB ASP 56 -2.510 33.533 -28.156 402 H ALA 57 H ALA 57 -1.828 32.195 -24.881 403 HA ALA 57 HA ALA 57 -4.483 32.463 -23.763 404 HB1 ALA 57 1HB ALA 57 -3.468 31.918 -21.868 405 HB2 ALA 57 2HB ALA 57 -1.943 31.827 -22.749 406 HB3 ALA 57 3HB ALA 57 -2.424 33.336 -21.973 407 H GLN 58 H GLN 58 -2.064 34.513 -25.096 408 HA GLN 58 HA GLN 58 -3.189 36.905 -23.859 409 HB2 GLN 58 2HB GLN 58 -0.625 36.177 -24.882 410 HB3 GLN 58 3HB GLN 58 -1.211 37.563 -25.792 411 HG2 GLN 58 2HG GLN 58 -1.654 38.699 -23.609 412 HG3 GLN 58 3HG GLN 58 -0.829 37.356 -22.819 413 HE21 GLN 58 1HE2 GLN 58 1.243 37.633 -22.442 414 HE22 GLN 58 2HE2 GLN 58 2.300 38.707 -23.285 415 H LYS 59 H LYS 59 -4.526 35.171 -25.957 416 HA LYS 59 HA LYS 59 -5.876 37.190 -27.337 417 HB2 LYS 59 2HB LYS 59 -3.394 36.348 -28.575 418 HB3 LYS 59 3HB LYS 59 -4.768 36.019 -29.622 419 HG2 LYS 59 2HG LYS 59 -5.285 38.236 -29.875 420 HG3 LYS 59 3HG LYS 59 -4.550 38.696 -28.338 421 HD2 LYS 59 2HD LYS 59 -2.717 37.585 -30.367 422 HD3 LYS 59 3HD LYS 59 -3.418 39.162 -30.739 423 HE2 LYS 59 2HE LYS 59 -2.684 39.894 -28.439 424 HE3 LYS 59 3HE LYS 59 -1.780 38.384 -28.335 425 HZ1 LYS 59 3HZ LYS 59 -0.790 40.668 -29.315 426 HZ2 LYS 59 1HZ LYS 59 -1.314 39.922 -30.740 427 HZ3 LYS 59 2HZ LYS 59 -0.212 39.133 -29.728 428 H THR 60 H THR 60 -7.749 36.126 -27.036 429 HA THR 60 HA THR 60 -7.943 33.325 -27.887 430 HB THR 60 HB THR 60 -10.128 33.325 -26.706 431 HG1 THR 60 HG1 THR 60 -9.342 35.935 -25.862 432 HG21 THR 60 3HG2 THR 60 -9.211 33.018 -24.607 433 HG22 THR 60 1HG2 THR 60 -8.121 34.395 -24.765 434 HG23 THR 60 2HG2 THR 60 -7.781 32.897 -25.631 435 H GLY 61 H GLY 61 -10.462 32.946 -28.575 436 HA2 GLY 61 2HA GLY 61 -12.228 34.092 -29.912 437 HA3 GLY 61 3HA GLY 61 -10.909 34.814 -30.821 438 H ARG 62 H ARG 62 -9.245 32.773 -31.349 439 HA ARG 62 HA ARG 62 -10.567 30.406 -32.224 440 HB2 ARG 62 2HB ARG 62 -11.253 32.287 -33.883 441 HB3 ARG 62 3HB ARG 62 -9.610 32.126 -34.489 442 HG2 ARG 62 2HG ARG 62 -10.032 30.161 -35.496 443 HG3 ARG 62 3HG ARG 62 -11.104 29.609 -34.208 444 HD2 ARG 62 2HD ARG 62 -12.485 29.884 -36.092 445 HD3 ARG 62 3HD ARG 62 -12.782 31.301 -35.085 446 HE ARG 62 HE ARG 62 -10.773 31.986 -36.868 447 HH11 ARG 62 1HH1 ARG 62 -14.114 31.014 -36.991 448 HH12 ARG 62 2HH1 ARG 62 -14.450 31.891 -38.448 449 HH21 ARG 62 1HH2 ARG 62 -11.203 33.145 -38.785 450 HH22 ARG 62 2HH2 ARG 62 -12.794 33.102 -39.467 451 H GLN 63 H GLN 63 -8.548 30.207 -30.722 452 HA GLN 63 HA GLN 63 -6.089 30.096 -32.315 453 HB2 GLN 63 2HB GLN 63 -6.255 29.588 -29.357 454 HB3 GLN 63 3HB GLN 63 -4.871 30.116 -30.305 455 HG2 GLN 63 2HG GLN 63 -7.328 31.764 -29.749 456 HG3 GLN 63 3HG GLN 63 -5.789 31.900 -28.900 457 HE21 GLN 63 1HE2 GLN 63 -7.438 33.685 -30.743 458 HE22 GLN 63 2HE2 GLN 63 -6.281 34.271 -31.884 459 H THR 64 H THR 64 -4.925 28.214 -32.584 460 HA THR 64 HA THR 64 -6.453 25.774 -32.414 461 HB THR 64 HB THR 64 -3.646 26.276 -33.419 462 HG1 THR 64 HG1 THR 64 -4.848 27.084 -34.988 463 HG21 THR 64 3HG2 THR 64 -4.147 24.011 -34.579 464 HG22 THR 64 1HG2 THR 64 -5.326 23.798 -33.286 465 HG23 THR 64 2HG2 THR 64 -3.619 24.009 -32.897 466 H LEU 65 H LEU 65 -5.963 23.949 -31.214 467 HA LEU 65 HA LEU 65 -3.792 24.138 -29.258 468 HB2 LEU 65 2HB LEU 65 -6.689 23.623 -28.623 469 HB3 LEU 65 3HB LEU 65 -5.373 23.243 -27.515 470 HG LEU 65 HG LEU 65 -4.865 25.854 -28.000 471 HD11 LEU 65 1HD1 LEU 65 -6.967 25.928 -29.401 472 HD12 LEU 65 2HD1 LEU 65 -6.847 27.128 -28.115 473 HD13 LEU 65 3HD1 LEU 65 -7.866 25.706 -27.900 474 HD21 LEU 65 3HD2 LEU 65 -6.398 24.389 -25.917 475 HD22 LEU 65 1HD2 LEU 65 -6.404 26.152 -25.872 476 HD23 LEU 65 2HD2 LEU 65 -4.876 25.273 -25.793 477 H THR 66 H THR 66 -2.651 22.322 -29.204 478 HA THR 66 HA THR 66 -3.951 19.821 -30.069 479 HB THR 66 HB THR 66 -1.116 19.659 -30.422 480 HG1 THR 66 HG1 THR 66 -0.657 21.420 -31.550 481 HG21 THR 66 3HG2 THR 66 -1.775 19.200 -32.763 482 HG22 THR 66 1HG2 THR 66 -3.422 19.694 -32.372 483 HG23 THR 66 2HG2 THR 66 -2.720 18.273 -31.598 484 H LEU 67 H LEU 67 -4.278 18.683 -28.257 485 HA LEU 67 HA LEU 67 -2.292 18.729 -26.122 486 HB2 LEU 67 2HB LEU 67 -3.918 17.879 -24.717 487 HB3 LEU 67 3HB LEU 67 -4.842 18.903 -25.814 488 HG LEU 67 HG LEU 67 -5.131 16.590 -27.100 489 HD11 LEU 67 1HD1 LEU 67 -5.324 15.523 -24.349 490 HD12 LEU 67 2HD1 LEU 67 -3.711 15.640 -25.051 491 HD13 LEU 67 3HD1 LEU 67 -4.960 14.700 -25.867 492 HD21 LEU 67 3HD2 LEU 67 -6.943 18.014 -26.337 493 HD22 LEU 67 1HD2 LEU 67 -6.716 17.449 -24.681 494 HD23 LEU 67 2HD2 LEU 67 -7.272 16.330 -25.926 495 H HIS 68 H HIS 68 -0.879 17.142 -25.754 496 HA HIS 68 HA HIS 68 -1.272 14.577 -27.149 497 HB2 HIS 68 2HB HIS 68 1.217 16.240 -26.843 498 HB3 HIS 68 3HB HIS 68 1.308 14.508 -27.151 499 HD1 HIS 68 HD1 HIS 68 1.900 14.245 -29.535 500 HD2 HIS 68 HD2 HIS 68 -0.927 17.236 -28.968 501 HE1 HIS 68 HE1 HIS 68 1.288 15.037 -31.842 502 H TYR 69 H TYR 69 -1.459 12.915 -25.813 503 HA TYR 69 HA TYR 69 0.086 12.884 -23.327 504 HB2 TYR 69 2HB TYR 69 -2.223 13.748 -22.849 505 HB3 TYR 69 3HB TYR 69 -2.858 12.204 -23.407 506 HD1 TYR 69 HD1 TYR 69 0.168 12.824 -21.336 507 HD2 TYR 69 HD2 TYR 69 -3.797 11.286 -21.469 508 HE1 TYR 69 HE1 TYR 69 0.459 11.894 -19.078 509 HE2 TYR 69 HE2 TYR 69 -3.517 10.353 -19.210 510 HH TYR 69 HH TYR 69 -1.718 11.153 -17.098 511 H GLN 70 H GLN 70 0.999 10.965 -22.938 512 HA GLN 70 HA GLN 70 1.577 8.774 -23.128 513 HB2 GLN 70 2HB GLN 70 -1.359 8.759 -23.450 514 HB3 GLN 70 3HB GLN 70 -0.525 7.332 -24.049 515 HG2 GLN 70 2HG GLN 70 -0.355 8.447 -21.259 516 HG3 GLN 70 3HG GLN 70 -1.257 7.018 -21.761 517 HE21 GLN 70 1HE2 GLN 70 0.060 5.295 -22.807 518 HE22 GLN 70 2HE2 GLN 70 1.631 4.986 -22.157 519 H GLY 71 H GLY 71 -0.808 8.539 -25.707 520 HA2 GLY 71 2HA GLY 71 1.277 8.760 -27.743 521 HA3 GLY 71 3HA GLY 71 0.471 7.206 -27.594 522 H HIS 72 H HIS 72 -1.534 9.833 -26.838 523 HA HIS 72 HA HIS 72 -2.715 9.746 -29.537 524 HB2 HIS 72 2HB HIS 72 -4.897 9.881 -28.595 525 HB3 HIS 72 3HB HIS 72 -4.048 8.628 -27.694 526 HD1 HIS 72 HD1 HIS 72 -5.113 12.243 -27.348 527 HD2 HIS 72 HD2 HIS 72 -3.931 9.031 -24.992 528 HE1 HIS 72 HE1 HIS 72 -5.481 12.981 -24.972 529 H GLU 73 H GLU 73 -3.610 11.664 -30.366 530 HA GLU 73 HA GLU 73 -3.001 14.123 -28.879 531 HB2 GLU 73 2HB GLU 73 -2.223 15.149 -31.027 532 HB3 GLU 73 3HB GLU 73 -1.163 13.898 -30.394 533 HG2 GLU 73 2HG GLU 73 -3.128 12.790 -32.191 534 HG3 GLU 73 3HG GLU 73 -2.203 14.078 -32.961 535 H VAL 74 H VAL 74 -4.514 15.691 -29.021 536 HA VAL 74 HA VAL 74 -6.715 15.293 -30.941 537 HB VAL 74 HB VAL 74 -7.059 16.376 -28.145 538 HG11 VAL 74 1HG1 VAL 74 -9.270 15.239 -29.768 539 HG12 VAL 74 2HG1 VAL 74 -9.289 16.550 -28.587 540 HG13 VAL 74 3HG1 VAL 74 -8.657 16.832 -30.210 541 HG21 VAL 74 3HG2 VAL 74 -7.115 13.595 -29.183 542 HG22 VAL 74 1HG2 VAL 74 -6.630 14.205 -27.601 543 HG23 VAL 74 2HG2 VAL 74 -8.341 14.056 -28.001 544 H SER 75 H SER 75 -7.260 17.016 -32.129 545 HA SER 75 HA SER 75 -6.034 19.601 -31.427 546 HB2 SER 75 2HB SER 75 -5.468 18.314 -33.646 547 HB3 SER 75 3HB SER 75 -7.010 18.973 -34.192 548 HG SER 75 HG SER 75 -6.184 20.934 -34.209 549 H PHE 76 H PHE 76 -7.285 21.363 -31.182 550 HA PHE 76 HA PHE 76 -10.002 21.415 -32.189 551 HB2 PHE 76 2HB PHE 76 -9.353 20.909 -29.367 552 HB3 PHE 76 3HB PHE 76 -10.494 22.225 -29.619 553 HD1 PHE 76 HD2 PHE 76 -12.529 21.733 -31.109 554 HD2 PHE 76 HD1 PHE 76 -10.082 18.712 -29.378 555 HE1 PHE 76 HE2 PHE 76 -14.349 20.102 -31.393 556 HE2 PHE 76 HE1 PHE 76 -11.898 17.075 -29.659 557 HZ PHE 76 HZ PHE 76 -14.035 17.770 -30.667 558 H ASP 77 H ASP 77 -11.079 23.552 -31.510 559 HA ASP 77 HA ASP 77 -9.039 25.678 -31.587 560 HB2 ASP 77 2HB ASP 77 -10.875 27.026 -32.732 561 HB3 ASP 77 3HB ASP 77 -10.161 25.719 -33.671 562 H VAL 78 H VAL 78 -9.470 27.626 -30.465 563 HA VAL 78 HA VAL 78 -11.485 27.353 -28.329 564 HB VAL 78 HB VAL 78 -9.125 27.207 -27.533 565 HG11 VAL 78 1HG1 VAL 78 -7.635 29.010 -27.664 566 HG12 VAL 78 2HG1 VAL 78 -8.325 28.889 -29.284 567 HG13 VAL 78 3HG1 VAL 78 -8.898 30.131 -28.170 568 HG21 VAL 78 3HG2 VAL 78 -9.625 29.524 -26.077 569 HG22 VAL 78 1HG2 VAL 78 -11.217 28.960 -26.583 570 HG23 VAL 78 2HG2 VAL 78 -10.150 27.889 -25.676 571 H LEU 79 H LEU 79 -12.831 29.037 -27.938 572 HA LEU 79 HA LEU 79 -12.323 31.604 -29.241 573 HB2 LEU 79 2HB LEU 79 -15.028 30.332 -29.460 574 HB3 LEU 79 3HB LEU 79 -14.378 31.705 -30.354 575 HG LEU 79 HG LEU 79 -12.719 29.860 -31.277 576 HD11 LEU 79 1HD1 LEU 79 -13.229 27.833 -30.488 577 HD12 LEU 79 2HD1 LEU 79 -14.582 27.889 -31.617 578 HD13 LEU 79 3HD1 LEU 79 -14.822 28.346 -29.930 579 HD21 LEU 79 3HD2 LEU 79 -15.253 29.510 -32.629 580 HD22 LEU 79 1HD2 LEU 79 -13.781 30.311 -33.179 581 HD23 LEU 79 2HD2 LEU 79 -14.962 31.200 -32.217 582 H VAL 80 H VAL 80 -12.952 33.316 -28.051 583 HA VAL 80 HA VAL 80 -14.228 32.755 -25.476 584 HB VAL 80 HB VAL 80 -12.069 34.015 -25.540 585 HG11 VAL 80 1HG1 VAL 80 -13.760 36.203 -26.746 586 HG12 VAL 80 2HG1 VAL 80 -12.075 36.344 -26.240 587 HG13 VAL 80 3HG1 VAL 80 -12.508 35.293 -27.589 588 HG21 VAL 80 3HG2 VAL 80 -12.959 35.924 -24.059 589 HG22 VAL 80 1HG2 VAL 80 -14.544 35.199 -24.332 590 HG23 VAL 80 2HG2 VAL 80 -13.267 34.263 -23.554 591 H SER 81 H SER 81 -16.169 33.562 -24.890 592 HA SER 81 HA SER 81 -17.602 35.177 -26.895 593 HB2 SER 81 2HB SER 81 -19.592 34.146 -25.355 594 HB3 SER 81 3HB SER 81 -18.992 33.383 -26.828 595 HG SER 81 HG SER 81 -18.612 31.770 -25.527 596 HA PRO 82 HA PRO 82 -18.233 38.437 -24.030 597 HB2 PRO 82 2HB PRO 82 -20.784 39.199 -24.560 598 HB3 PRO 82 3HB PRO 82 -19.439 39.512 -25.663 599 HG2 PRO 82 2HG PRO 82 -21.497 37.341 -25.756 600 HG3 PRO 82 3HG PRO 82 -20.857 38.333 -27.079 601 HD2 PRO 82 2HD PRO 82 -20.013 35.803 -26.616 602 HD3 PRO 82 3HD PRO 82 -18.948 37.058 -27.279 603 H LYS 83 H LYS 83 -18.201 37.705 -21.954 604 HA LYS 83 HA LYS 83 -18.926 36.936 -19.935 605 HB2 LYS 83 2HB LYS 83 -21.526 38.129 -20.917 606 HB3 LYS 83 3HB LYS 83 -21.166 37.713 -19.246 607 HG2 LYS 83 2HG LYS 83 -19.463 39.646 -20.777 608 HG3 LYS 83 3HG LYS 83 -20.940 40.157 -19.957 609 HD2 LYS 83 2HD LYS 83 -19.087 38.513 -18.356 610 HD3 LYS 83 3HD LYS 83 -18.503 40.121 -18.793 611 HE2 LYS 83 2HE LYS 83 -21.179 39.588 -17.512 612 HE3 LYS 83 3HE LYS 83 -19.722 40.002 -16.609 613 HZ1 LYS 83 3HZ LYS 83 -20.508 41.762 -18.808 614 HZ2 LYS 83 1HZ LYS 83 -19.765 42.138 -17.335 615 HZ3 LYS 83 2HZ LYS 83 -21.426 41.826 -17.389 616 H ALA 84 H ALA 84 -18.991 35.035 -22.070 617 HA ALA 84 HA ALA 84 -21.198 33.313 -21.145 618 HB1 ALA 84 1HB ALA 84 -21.860 32.925 -23.231 619 HB2 ALA 84 2HB ALA 84 -20.789 34.231 -23.740 620 HB3 ALA 84 3HB ALA 84 -20.214 32.564 -23.753 621 H ALA 85 H ALA 85 -20.665 31.329 -20.432 622 HA ALA 85 HA ALA 85 -18.263 29.983 -21.220 623 HB1 ALA 85 1HB ALA 85 -18.224 31.658 -18.850 624 HB2 ALA 85 2HB ALA 85 -17.810 29.981 -18.495 625 HB3 ALA 85 3HB ALA 85 -16.894 30.879 -19.706 626 H LEU 86 H LEU 86 -17.931 28.068 -19.469 627 HA LEU 86 HA LEU 86 -20.296 27.070 -18.247 628 HB2 LEU 86 2HB LEU 86 -20.265 26.717 -20.961 629 HB3 LEU 86 3HB LEU 86 -19.571 25.205 -20.381 630 HG LEU 86 HG LEU 86 -22.214 26.287 -19.422 631 HD11 LEU 86 1HD1 LEU 86 -23.011 24.305 -20.939 632 HD12 LEU 86 2HD1 LEU 86 -21.521 24.653 -21.815 633 HD13 LEU 86 3HD1 LEU 86 -22.743 25.910 -21.620 634 HD21 LEU 86 3HD2 LEU 86 -21.338 24.732 -17.876 635 HD22 LEU 86 1HD2 LEU 86 -20.785 23.654 -19.157 636 HD23 LEU 86 2HD2 LEU 86 -22.511 23.842 -18.847 637 H ASN 87 H ASN 87 -19.113 26.533 -16.481 638 HA ASN 87 HA ASN 87 -16.820 24.734 -16.849 639 HB2 ASN 87 2HB ASN 87 -17.546 26.770 -14.809 640 HB3 ASN 87 3HB ASN 87 -16.670 25.350 -14.243 641 HD21 ASN 87 1HD2 ASN 87 -14.758 24.772 -15.717 642 HD22 ASN 87 2HD2 ASN 87 -13.743 26.095 -16.169 643 H ASP 88 H ASP 88 -16.664 22.800 -15.704 644 HA ASP 88 HA ASP 88 -19.219 21.811 -14.624 645 HB2 ASP 88 2HB ASP 88 -18.663 19.637 -15.387 646 HB3 ASP 88 3HB ASP 88 -18.260 20.721 -16.715 647 H GLU 89 H GLU 89 -18.555 19.641 -13.258 648 HA GLU 89 HA GLU 89 -17.814 18.900 -11.239 649 HB2 GLU 89 2HB GLU 89 -15.550 19.639 -12.678 650 HB3 GLU 89 3HB GLU 89 -15.331 20.409 -11.112 651 HG2 GLU 89 2HG GLU 89 -15.859 18.137 -10.100 652 HG3 GLU 89 3HG GLU 89 -15.642 17.492 -11.727 Start of MODEL 13 1 H SER 1 H SER 1 5.474 5.407 -1.914 2 HA SER 1 HA SER 1 4.757 2.978 -2.965 3 HB2 SER 1 2HB SER 1 3.033 3.785 -0.674 4 HB3 SER 1 3HB SER 1 2.236 3.095 -2.087 5 HG SER 1 HG SER 1 3.204 1.705 -0.232 6 HA PRO 2 HA PRO 2 3.441 6.891 -5.138 7 HB2 PRO 2 2HB PRO 2 4.979 6.483 -7.338 8 HB3 PRO 2 3HB PRO 2 5.569 7.316 -5.895 9 HG2 PRO 2 2HG PRO 2 5.977 4.474 -6.740 10 HG3 PRO 2 3HG PRO 2 7.147 5.616 -6.054 11 HD2 PRO 2 2HD PRO 2 5.945 3.696 -4.571 12 HD3 PRO 2 3HD PRO 2 6.410 5.272 -3.898 13 H LYS 3 H LYS 3 1.768 6.929 -6.532 14 HA LYS 3 HA LYS 3 0.825 4.395 -7.601 15 HB2 LYS 3 2HB LYS 3 -0.836 5.715 -6.498 16 HB3 LYS 3 3HB LYS 3 -0.407 7.145 -7.429 17 HG2 LYS 3 2HG LYS 3 -1.225 6.034 -9.467 18 HG3 LYS 3 3HG LYS 3 -1.712 4.647 -8.491 19 HD2 LYS 3 2HD LYS 3 -3.695 5.760 -8.507 20 HD3 LYS 3 3HD LYS 3 -2.958 6.564 -7.120 21 HE2 LYS 3 2HE LYS 3 -2.748 8.524 -8.209 22 HE3 LYS 3 3HE LYS 3 -2.310 7.748 -9.730 23 HZ1 LYS 3 3HZ LYS 3 -5.032 7.258 -9.034 24 HZ2 LYS 3 1HZ LYS 3 -4.387 7.908 -10.456 25 HZ3 LYS 3 2HZ LYS 3 -4.711 8.915 -9.136 26 H THR 4 H THR 4 1.854 3.829 -9.431 27 HA THR 4 HA THR 4 2.068 5.844 -11.570 28 HB THR 4 HB THR 4 3.633 3.683 -12.348 29 HG1 THR 4 HG1 THR 4 4.393 4.285 -9.694 30 HG21 THR 4 3HG2 THR 4 4.148 6.063 -12.654 31 HG22 THR 4 1HG2 THR 4 5.512 5.194 -11.950 32 HG23 THR 4 2HG2 THR 4 4.491 6.209 -10.930 33 H ILE 5 H ILE 5 0.642 5.629 -13.153 34 HA ILE 5 HA ILE 5 -0.941 3.263 -13.461 35 HB ILE 5 HB ILE 5 -2.032 4.423 -15.294 36 HG12 ILE 5 2HG1 ILE 5 -0.987 6.969 -15.383 37 HG13 ILE 5 3HG1 ILE 5 0.458 5.971 -15.266 38 HG21 ILE 5 1HG2 ILE 5 -2.553 6.620 -14.017 39 HG22 ILE 5 2HG2 ILE 5 -2.965 5.073 -13.280 40 HG23 ILE 5 3HG2 ILE 5 -1.515 5.935 -12.767 41 HD11 ILE 5 3HD1 ILE 5 -1.219 4.763 -17.176 42 HD12 ILE 5 1HD1 ILE 5 -1.189 6.491 -17.526 43 HD13 ILE 5 2HD1 ILE 5 0.321 5.582 -17.434 44 H LEU 6 H LEU 6 -1.217 2.187 -15.591 45 HA LEU 6 HA LEU 6 1.322 2.004 -17.070 46 HB2 LEU 6 2HB LEU 6 0.909 -0.420 -17.314 47 HB3 LEU 6 3HB LEU 6 1.201 0.081 -15.650 48 HG LEU 6 HG LEU 6 -1.480 0.136 -15.657 49 HD11 LEU 6 1HD1 LEU 6 -2.350 -0.801 -17.470 50 HD12 LEU 6 2HD1 LEU 6 -1.634 -2.327 -16.953 51 HD13 LEU 6 3HD1 LEU 6 -0.758 -1.273 -18.063 52 HD21 LEU 6 3HD2 LEU 6 -1.370 -1.736 -14.325 53 HD22 LEU 6 1HD2 LEU 6 0.309 -1.196 -14.293 54 HD23 LEU 6 2HD2 LEU 6 -0.169 -2.527 -15.347 55 H GLY 7 H GLY 7 -2.182 1.607 -17.114 56 HA2 GLY 7 2HA GLY 7 -2.097 1.607 -20.062 57 HA3 GLY 7 3HA GLY 7 -3.424 0.979 -19.097 58 H ILE 8 H ILE 8 -3.231 3.081 -21.252 59 HA ILE 8 HA ILE 8 -4.646 5.190 -19.763 60 HB ILE 8 HB ILE 8 -2.490 6.094 -20.388 61 HG12 ILE 8 2HG1 ILE 8 -4.695 7.114 -22.192 62 HG13 ILE 8 3HG1 ILE 8 -4.425 7.593 -20.519 63 HG21 ILE 8 1HG2 ILE 8 -1.733 6.209 -22.686 64 HG22 ILE 8 2HG2 ILE 8 -2.014 4.531 -22.226 65 HG23 ILE 8 3HG2 ILE 8 -3.190 5.378 -23.231 66 HD11 ILE 8 3HD1 ILE 8 -2.739 8.196 -22.923 67 HD12 ILE 8 1HD1 ILE 8 -3.550 9.323 -21.837 68 HD13 ILE 8 2HD1 ILE 8 -2.151 8.408 -21.274 69 H GLU 9 H GLU 9 -6.450 6.066 -20.737 70 HA GLU 9 HA GLU 9 -7.222 4.992 -23.358 71 HB2 GLU 9 2HB GLU 9 -8.282 3.953 -21.106 72 HB3 GLU 9 3HB GLU 9 -9.388 5.296 -21.361 73 HG2 GLU 9 2HG GLU 9 -10.502 3.842 -22.636 74 HG3 GLU 9 3HG GLU 9 -9.287 4.241 -23.850 75 H VAL 10 H VAL 10 -7.870 6.528 -24.711 76 HA VAL 10 HA VAL 10 -8.079 9.249 -23.848 77 HB VAL 10 HB VAL 10 -7.138 8.622 -26.050 78 HG11 VAL 10 1HG1 VAL 10 -8.256 7.483 -27.634 79 HG12 VAL 10 2HG1 VAL 10 -9.267 6.959 -26.285 80 HG13 VAL 10 3HG1 VAL 10 -9.777 8.309 -27.299 81 HG21 VAL 10 3HG2 VAL 10 -8.672 10.291 -27.372 82 HG22 VAL 10 1HG2 VAL 10 -9.405 10.540 -25.787 83 HG23 VAL 10 2HG2 VAL 10 -7.685 10.854 -26.022 84 H SER 11 H SER 11 -9.845 10.450 -23.453 85 HA SER 11 HA SER 11 -12.472 9.573 -24.315 86 HB2 SER 11 2HB SER 11 -12.186 8.371 -22.191 87 HB3 SER 11 3HB SER 11 -11.816 9.890 -21.375 88 HG SER 11 HG SER 11 -14.022 9.231 -21.144 89 H GLN 12 H GLN 12 -10.626 11.859 -24.705 90 HA GLN 12 HA GLN 12 -12.100 14.059 -23.469 91 HB2 GLN 12 2HB GLN 12 -10.302 15.471 -24.532 92 HB3 GLN 12 3HB GLN 12 -9.740 14.326 -23.322 93 HG2 GLN 12 2HG GLN 12 -9.726 13.270 -26.044 94 HG3 GLN 12 3HG GLN 12 -8.671 14.662 -25.806 95 HE21 GLN 12 1HE2 GLN 12 -6.677 14.073 -25.394 96 HE22 GLN 12 2HE2 GLN 12 -6.183 12.716 -24.445 97 H GLU 13 H GLU 13 -13.495 15.321 -24.545 98 HA GLU 13 HA GLU 13 -13.874 14.779 -27.410 99 HB2 GLU 13 2HB GLU 13 -16.151 15.833 -27.000 100 HB3 GLU 13 3HB GLU 13 -15.868 14.267 -26.252 101 HG2 GLU 13 2HG GLU 13 -15.204 16.610 -24.601 102 HG3 GLU 13 3HG GLU 13 -16.913 16.383 -24.968 103 HA PRO 14 HA PRO 14 -12.715 18.853 -28.555 104 HB2 PRO 14 2HB PRO 14 -14.395 19.325 -30.634 105 HB3 PRO 14 3HB PRO 14 -13.032 18.205 -30.736 106 HG2 PRO 14 2HG PRO 14 -15.932 17.621 -30.279 107 HG3 PRO 14 3HG PRO 14 -14.772 16.779 -31.323 108 HD2 PRO 14 2HD PRO 14 -15.480 15.845 -28.882 109 HD3 PRO 14 3HD PRO 14 -13.862 15.593 -29.569 110 H LYS 15 H LYS 15 -13.133 20.798 -27.723 111 HA LYS 15 HA LYS 15 -15.667 22.054 -27.800 112 HB2 LYS 15 2HB LYS 15 -16.277 20.556 -26.022 113 HB3 LYS 15 3HB LYS 15 -14.789 20.902 -25.150 114 HG2 LYS 15 2HG LYS 15 -16.740 22.014 -24.166 115 HG3 LYS 15 3HG LYS 15 -15.520 23.163 -24.720 116 HD2 LYS 15 2HD LYS 15 -16.851 23.989 -26.364 117 HD3 LYS 15 3HD LYS 15 -17.636 22.435 -26.657 118 HE2 LYS 15 2HE LYS 15 -18.686 22.837 -24.307 119 HE3 LYS 15 3HE LYS 15 -18.255 24.521 -24.605 120 HZ1 LYS 15 3HZ LYS 15 -19.608 23.218 -26.800 121 HZ2 LYS 15 1HZ LYS 15 -19.868 24.746 -26.120 122 HZ3 LYS 15 2HZ LYS 15 -20.545 23.374 -25.400 123 H LYS 16 H LYS 16 -13.343 22.198 -25.136 124 HA LYS 16 HA LYS 16 -12.146 23.967 -24.316 125 HB2 LYS 16 2HB LYS 16 -11.333 23.471 -27.088 126 HB3 LYS 16 3HB LYS 16 -10.920 25.081 -26.513 127 HG2 LYS 16 2HG LYS 16 -10.272 22.777 -24.760 128 HG3 LYS 16 3HG LYS 16 -9.295 23.023 -26.209 129 HD2 LYS 16 2HD LYS 16 -8.323 24.140 -24.252 130 HD3 LYS 16 3HD LYS 16 -8.787 25.296 -25.503 131 HE2 LYS 16 2HE LYS 16 -10.681 25.999 -24.296 132 HE3 LYS 16 3HE LYS 16 -10.609 24.608 -23.215 133 HZ1 LYS 16 3HZ LYS 16 -8.309 26.410 -23.248 134 HZ2 LYS 16 1HZ LYS 16 -8.989 25.547 -21.961 135 HZ3 LYS 16 2HZ LYS 16 -9.722 26.971 -22.506 136 H ASP 17 H ASP 17 -14.448 24.934 -24.093 137 HA ASP 17 HA ASP 17 -14.426 27.558 -25.429 138 HB2 ASP 17 2HB ASP 17 -16.249 25.948 -26.219 139 HB3 ASP 17 3HB ASP 17 -16.957 26.135 -24.617 140 H TYR 18 H TYR 18 -14.193 29.168 -24.038 141 HA TYR 18 HA TYR 18 -15.501 29.053 -21.437 142 HB2 TYR 18 2HB TYR 18 -12.803 28.405 -21.671 143 HB3 TYR 18 3HB TYR 18 -12.798 30.084 -21.143 144 HD1 TYR 18 HD1 TYR 18 -14.215 30.666 -19.074 145 HD2 TYR 18 HD2 TYR 18 -13.130 26.688 -20.125 146 HE1 TYR 18 HE1 TYR 18 -14.643 29.945 -16.762 147 HE2 TYR 18 HE2 TYR 18 -13.557 25.956 -17.816 148 HH TYR 18 HH TYR 18 -15.044 28.055 -15.467 149 H LEU 19 H LEU 19 -15.714 31.111 -20.418 150 HA LEU 19 HA LEU 19 -15.861 33.280 -22.333 151 HB2 LEU 19 2HB LEU 19 -17.093 34.462 -20.638 152 HB3 LEU 19 3HB LEU 19 -17.716 32.820 -20.788 153 HG LEU 19 HG LEU 19 -16.025 32.436 -18.756 154 HD11 LEU 19 1HD1 LEU 19 -15.139 34.433 -18.194 155 HD12 LEU 19 2HD1 LEU 19 -16.658 34.611 -17.317 156 HD13 LEU 19 3HD1 LEU 19 -16.467 35.349 -18.907 157 HD21 LEU 19 3HD2 LEU 19 -17.974 32.791 -17.255 158 HD22 LEU 19 1HD2 LEU 19 -18.350 31.845 -18.695 159 HD23 LEU 19 2HD2 LEU 19 -18.826 33.541 -18.606 160 H VAL 20 H VAL 20 -14.881 35.313 -22.081 161 HA VAL 20 HA VAL 20 -12.208 35.320 -21.307 162 HB VAL 20 HB VAL 20 -12.239 37.723 -21.584 163 HG11 VAL 20 1HG1 VAL 20 -12.227 36.528 -23.634 164 HG12 VAL 20 2HG1 VAL 20 -13.962 36.220 -23.542 165 HG13 VAL 20 3HG1 VAL 20 -13.369 37.857 -23.829 166 HG21 VAL 20 3HG2 VAL 20 -14.493 38.814 -22.092 167 HG22 VAL 20 1HG2 VAL 20 -15.213 37.398 -21.325 168 HG23 VAL 20 2HG2 VAL 20 -14.134 38.447 -20.405 169 H GLY 21 H GLY 21 -11.129 35.797 -19.467 170 HA2 GLY 21 2HA GLY 21 -11.022 37.041 -17.366 171 HA3 GLY 21 3HA GLY 21 -12.730 36.687 -17.150 172 H ASP 22 H ASP 22 -11.398 33.965 -18.412 173 HA ASP 22 HA ASP 22 -10.846 32.848 -15.740 174 HB2 ASP 22 2HB ASP 22 -12.748 32.037 -17.754 175 HB3 ASP 22 3HB ASP 22 -11.603 30.737 -17.436 176 H SER 23 H SER 23 -9.584 33.533 -18.761 177 HA SER 23 HA SER 23 -7.611 33.046 -19.784 178 HB2 SER 23 2HB SER 23 -6.524 31.433 -17.558 179 HB3 SER 23 3HB SER 23 -5.812 32.799 -18.417 180 HG SER 23 HG SER 23 -6.466 33.111 -16.128 181 H LEU 24 H LEU 24 -9.793 31.318 -20.201 182 HA LEU 24 HA LEU 24 -10.287 29.338 -21.202 183 HB2 LEU 24 2HB LEU 24 -7.402 29.663 -21.606 184 HB3 LEU 24 3HB LEU 24 -7.967 27.997 -21.703 185 HG LEU 24 HG LEU 24 -9.547 28.651 -23.470 186 HD11 LEU 24 1HD1 LEU 24 -9.646 30.804 -24.381 187 HD12 LEU 24 2HD1 LEU 24 -8.179 31.321 -23.550 188 HD13 LEU 24 3HD1 LEU 24 -9.665 31.060 -22.636 189 HD21 LEU 24 3HD2 LEU 24 -7.006 28.043 -23.781 190 HD22 LEU 24 1HD2 LEU 24 -6.911 29.702 -24.371 191 HD23 LEU 24 2HD2 LEU 24 -7.995 28.550 -25.151 192 H ASP 25 H ASP 25 -10.485 27.085 -20.774 193 HA ASP 25 HA ASP 25 -9.047 25.655 -18.861 194 HB2 ASP 25 2HB ASP 25 -11.043 27.476 -17.755 195 HB3 ASP 25 3HB ASP 25 -11.314 25.803 -17.275 196 H LEU 26 H LEU 26 -9.393 24.151 -20.552 197 HA LEU 26 HA LEU 26 -11.919 23.326 -21.465 198 HB2 LEU 26 2HB LEU 26 -10.051 22.764 -22.779 199 HB3 LEU 26 3HB LEU 26 -9.223 22.007 -21.420 200 HG LEU 26 HG LEU 26 -10.985 20.214 -21.476 201 HD11 LEU 26 1HD1 LEU 26 -12.293 19.967 -23.510 202 HD12 LEU 26 2HD1 LEU 26 -11.656 21.493 -24.123 203 HD13 LEU 26 3HD1 LEU 26 -12.689 21.480 -22.694 204 HD21 LEU 26 3HD2 LEU 26 -9.350 19.132 -22.512 205 HD22 LEU 26 1HD2 LEU 26 -8.730 20.644 -23.176 206 HD23 LEU 26 2HD2 LEU 26 -9.957 19.732 -24.056 207 H SER 27 H SER 27 -13.396 21.932 -20.699 208 HA SER 27 HA SER 27 -12.691 20.316 -18.342 209 HB2 SER 27 2HB SER 27 -15.468 21.359 -18.531 210 HB3 SER 27 3HB SER 27 -14.468 21.066 -17.108 211 HG SER 27 HG SER 27 -14.645 23.260 -17.335 212 H GLU 28 H GLU 28 -13.581 20.221 -21.459 213 HA GLU 28 HA GLU 28 -15.396 17.932 -21.148 214 HB2 GLU 28 2HB GLU 28 -14.760 19.605 -23.584 215 HB3 GLU 28 3HB GLU 28 -15.863 18.237 -23.563 216 HG2 GLU 28 2HG GLU 28 -16.175 20.893 -22.206 217 HG3 GLU 28 3HG GLU 28 -17.199 20.168 -23.443 218 H GLY 29 H GLY 29 -12.184 18.774 -21.920 219 HA2 GLY 29 2HA GLY 29 -11.715 16.265 -23.366 220 HA3 GLY 29 3HA GLY 29 -10.584 17.603 -23.231 221 H ARG 30 H ARG 30 -12.113 14.991 -21.396 222 HA ARG 30 HA ARG 30 -9.808 15.029 -19.563 223 HB2 ARG 30 2HB ARG 30 -11.192 14.030 -17.891 224 HB3 ARG 30 3HB ARG 30 -12.083 15.389 -18.563 225 HG2 ARG 30 2HG ARG 30 -12.747 13.077 -20.067 226 HG3 ARG 30 3HG ARG 30 -12.879 12.681 -18.352 227 HD2 ARG 30 2HD ARG 30 -14.270 14.710 -18.043 228 HD3 ARG 30 3HD ARG 30 -14.207 14.978 -19.784 229 HE ARG 30 HE ARG 30 -15.824 13.390 -20.030 230 HH11 ARG 30 1HH1 ARG 30 -14.296 12.952 -16.932 231 HH12 ARG 30 2HH1 ARG 30 -15.389 11.708 -16.423 232 HH21 ARG 30 1HH2 ARG 30 -17.269 11.753 -19.371 233 HH22 ARG 30 2HH2 ARG 30 -17.079 11.025 -17.812 234 H PHE 31 H PHE 31 -8.909 13.005 -18.900 235 HA PHE 31 HA PHE 31 -9.414 10.807 -20.797 236 HB2 PHE 31 2HB PHE 31 -7.075 10.306 -20.869 237 HB3 PHE 31 3HB PHE 31 -7.246 12.031 -21.176 238 HD1 PHE 31 HD1 PHE 31 -6.952 13.601 -19.153 239 HD2 PHE 31 HD2 PHE 31 -5.625 9.557 -19.231 240 HE1 PHE 31 HE1 PHE 31 -5.383 14.084 -17.321 241 HE2 PHE 31 HE2 PHE 31 -4.055 10.034 -17.398 242 HZ PHE 31 HZ PHE 31 -3.933 12.299 -16.440 243 H ALA 32 H ALA 32 -9.230 8.692 -20.007 244 HA ALA 32 HA ALA 32 -9.412 8.493 -17.076 245 HB1 ALA 32 1HB ALA 32 -10.379 6.119 -18.004 246 HB2 ALA 32 2HB ALA 32 -11.364 7.526 -17.601 247 HB3 ALA 32 3HB ALA 32 -10.882 7.236 -19.273 248 H VAL 33 H VAL 33 -7.721 7.640 -16.077 249 HA VAL 33 HA VAL 33 -5.957 5.822 -17.579 250 HB VAL 33 HB VAL 33 -5.003 7.992 -16.656 251 HG11 VAL 33 1HG1 VAL 33 -4.708 6.694 -14.019 252 HG12 VAL 33 2HG1 VAL 33 -4.854 8.403 -14.435 253 HG13 VAL 33 3HG1 VAL 33 -6.290 7.379 -14.387 254 HG21 VAL 33 3HG2 VAL 33 -3.664 6.010 -17.342 255 HG22 VAL 33 1HG2 VAL 33 -2.908 6.973 -16.073 256 HG23 VAL 33 2HG2 VAL 33 -3.708 5.454 -15.669 257 H ALA 34 H ALA 34 -5.435 3.839 -16.770 258 HA ALA 34 HA ALA 34 -6.970 2.960 -14.423 259 HB1 ALA 34 1HB ALA 34 -7.594 1.334 -15.810 260 HB2 ALA 34 2HB ALA 34 -6.350 1.756 -16.987 261 HB3 ALA 34 3HB ALA 34 -5.961 0.690 -15.637 262 H TYR 35 H TYR 35 -5.992 2.149 -12.650 263 HA TYR 35 HA TYR 35 -3.074 2.304 -12.558 264 HB2 TYR 35 2HB TYR 35 -4.463 3.507 -10.855 265 HB3 TYR 35 3HB TYR 35 -5.011 1.942 -10.265 266 HD1 TYR 35 HD1 TYR 35 -1.581 2.803 -11.382 267 HD2 TYR 35 HD2 TYR 35 -4.128 1.954 -8.081 268 HE1 TYR 35 HE1 TYR 35 0.383 2.677 -9.907 269 HE2 TYR 35 HE2 TYR 35 -2.171 1.827 -6.597 270 HH TYR 35 HH TYR 35 0.063 2.407 -6.440 271 H SER 36 H SER 36 -1.775 0.616 -11.850 272 HA SER 36 HA SER 36 -2.522 -1.970 -12.627 273 HB2 SER 36 2HB SER 36 -0.350 -2.515 -12.231 274 HB3 SER 36 3HB SER 36 -0.153 -0.769 -12.077 275 HG SER 36 HG SER 36 0.163 -2.685 -10.212 276 H ASN 37 H ASN 37 -3.109 -0.259 -9.734 277 HA ASN 37 HA ASN 37 -3.552 -2.683 -8.169 278 HB2 ASN 37 2HB ASN 37 -2.456 -0.495 -7.296 279 HB3 ASN 37 3HB ASN 37 -4.108 0.107 -7.199 280 HD21 ASN 37 1HD2 ASN 37 -1.845 -2.262 -6.000 281 HD22 ASN 37 2HD2 ASN 37 -2.727 -2.667 -4.570 282 H ASP 38 H ASP 38 -5.224 -1.847 -10.510 283 HA ASP 38 HA ASP 38 -7.413 -1.920 -11.125 284 HB2 ASP 38 2HB ASP 38 -7.399 -3.888 -9.566 285 HB3 ASP 38 3HB ASP 38 -7.957 -2.812 -8.288 286 H THR 39 H THR 39 -7.011 0.493 -11.081 287 HA THR 39 HA THR 39 -9.161 1.735 -9.553 288 HB THR 39 HB THR 39 -6.742 3.404 -9.593 289 HG1 THR 39 HG1 THR 39 -6.137 2.122 -7.541 290 HG21 THR 39 3HG2 THR 39 -9.180 3.343 -8.274 291 HG22 THR 39 1HG2 THR 39 -7.821 4.404 -7.908 292 HG23 THR 39 2HG2 THR 39 -8.013 2.885 -7.033 293 H MET 40 H MET 40 -9.625 3.960 -10.318 294 HA MET 40 HA MET 40 -8.648 4.532 -13.016 295 HB2 MET 40 2HB MET 40 -11.540 4.154 -12.247 296 HB3 MET 40 3HB MET 40 -11.050 5.030 -13.692 297 HG2 MET 40 2HG MET 40 -9.742 2.908 -14.291 298 HG3 MET 40 3HG MET 40 -10.727 2.124 -13.058 299 HE1 MET 40 3HE MET 40 -10.310 3.851 -16.189 300 HE2 MET 40 1HE MET 40 -11.031 2.533 -17.113 301 HE3 MET 40 2HE MET 40 -11.894 4.061 -16.937 302 H GLU 41 H GLU 41 -8.501 6.676 -13.491 303 HA GLU 41 HA GLU 41 -9.651 8.585 -11.575 304 HB2 GLU 41 2HB GLU 41 -6.830 8.075 -12.126 305 HB3 GLU 41 3HB GLU 41 -7.270 9.762 -12.355 306 HG2 GLU 41 2HG GLU 41 -6.617 9.674 -10.139 307 HG3 GLU 41 3HG GLU 41 -8.375 9.579 -10.048 308 H GLU 42 H GLU 42 -10.564 10.345 -12.468 309 HA GLU 42 HA GLU 42 -10.177 10.752 -15.362 310 HB2 GLU 42 2HB GLU 42 -12.670 11.190 -13.710 311 HB3 GLU 42 3HB GLU 42 -12.503 11.618 -15.407 312 HG2 GLU 42 2HG GLU 42 -13.284 9.604 -15.887 313 HG3 GLU 42 3HG GLU 42 -11.750 8.957 -15.307 314 H HIS 43 H HIS 43 -9.653 12.744 -16.058 315 HA HIS 43 HA HIS 43 -10.100 15.079 -14.409 316 HB2 HIS 43 2HB HIS 43 -7.491 13.758 -14.569 317 HB3 HIS 43 3HB HIS 43 -7.436 15.463 -15.008 318 HD1 HIS 43 HD1 HIS 43 -6.301 14.023 -12.339 319 HD2 HIS 43 HD2 HIS 43 -9.688 16.404 -12.688 320 HE1 HIS 43 HE1 HIS 43 -6.727 14.928 -10.032 321 H SER 44 H SER 44 -10.190 16.950 -15.580 322 HA SER 44 HA SER 44 -9.685 16.694 -18.473 323 HB2 SER 44 2HB SER 44 -11.529 18.827 -17.711 324 HB3 SER 44 3HB SER 44 -11.719 17.554 -18.916 325 HG SER 44 HG SER 44 -12.729 17.707 -16.415 326 H PHE 45 H PHE 45 -8.141 17.953 -19.257 327 HA PHE 45 HA PHE 45 -6.399 19.457 -19.218 328 HB2 PHE 45 2HB PHE 45 -8.444 20.643 -20.171 329 HB3 PHE 45 3HB PHE 45 -8.600 21.425 -18.602 330 HD1 PHE 45 HD1 PHE 45 -5.571 20.642 -20.616 331 HD2 PHE 45 HD2 PHE 45 -8.069 23.648 -18.930 332 HE1 PHE 45 HE1 PHE 45 -3.966 22.367 -21.324 333 HE2 PHE 45 HE2 PHE 45 -6.468 25.378 -19.636 334 HZ PHE 45 HZ PHE 45 -4.414 24.739 -20.834 335 H THR 46 H THR 46 -5.657 18.482 -17.132 336 HA THR 46 HA THR 46 -5.093 20.575 -15.260 337 HB THR 46 HB THR 46 -7.152 20.088 -14.231 338 HG1 THR 46 HG1 THR 46 -6.442 19.472 -12.268 339 HG21 THR 46 3HG2 THR 46 -6.502 17.148 -14.474 340 HG22 THR 46 1HG2 THR 46 -7.647 18.027 -15.486 341 HG23 THR 46 2HG2 THR 46 -7.960 17.838 -13.760 342 H ASP 47 H ASP 47 -5.090 17.076 -15.836 343 HA ASP 47 HA ASP 47 -3.033 16.318 -14.154 344 HB2 ASP 47 2HB ASP 47 -4.372 14.690 -15.368 345 HB3 ASP 47 3HB ASP 47 -3.706 15.246 -16.901 346 H GLU 48 H GLU 48 -0.792 15.987 -14.456 347 HA GLU 48 HA GLU 48 0.430 18.004 -16.174 348 HB2 GLU 48 2HB GLU 48 1.412 16.380 -13.841 349 HB3 GLU 48 3HB GLU 48 2.532 17.252 -14.878 350 HG2 GLU 48 2HG GLU 48 2.215 18.846 -13.313 351 HG3 GLU 48 3HG GLU 48 0.857 19.244 -14.364 352 H GLY 49 H GLY 49 -0.655 15.273 -17.025 353 HA2 GLY 49 2HA GLY 49 1.800 14.058 -18.072 354 HA3 GLY 49 3HA GLY 49 0.203 13.325 -18.078 355 H VAL 50 H VAL 50 -1.145 15.648 -19.153 356 HA VAL 50 HA VAL 50 -0.378 15.287 -21.948 357 HB VAL 50 HB VAL 50 -2.541 16.284 -22.498 358 HG11 VAL 50 1HG1 VAL 50 -2.992 14.082 -22.372 359 HG12 VAL 50 2HG1 VAL 50 -2.262 13.917 -20.773 360 HG13 VAL 50 3HG1 VAL 50 -3.902 14.547 -20.935 361 HG21 VAL 50 3HG2 VAL 50 -4.150 16.740 -20.628 362 HG22 VAL 50 1HG2 VAL 50 -2.787 16.630 -19.515 363 HG23 VAL 50 2HG2 VAL 50 -2.816 17.887 -20.752 364 H GLU 51 H GLU 51 0.532 16.834 -23.152 365 HA GLU 51 HA GLU 51 0.751 19.530 -21.983 366 HB2 GLU 51 2HB GLU 51 2.660 17.999 -23.749 367 HB3 GLU 51 3HB GLU 51 2.822 19.719 -23.424 368 HG2 GLU 51 2HG GLU 51 3.706 19.372 -21.410 369 HG3 GLU 51 3HG GLU 51 2.530 18.122 -21.008 370 H ILE 52 H ILE 52 -0.120 21.168 -23.071 371 HA ILE 52 HA ILE 52 -1.146 20.653 -25.768 372 HB ILE 52 HB ILE 52 -1.786 23.090 -24.136 373 HG12 ILE 52 2HG1 ILE 52 -2.239 21.194 -22.675 374 HG13 ILE 52 3HG1 ILE 52 -3.755 21.878 -23.251 375 HG21 ILE 52 1HG2 ILE 52 -3.106 21.601 -26.386 376 HG22 ILE 52 2HG2 ILE 52 -3.964 22.797 -25.416 377 HG23 ILE 52 3HG2 ILE 52 -2.548 23.274 -26.352 378 HD11 ILE 52 3HD1 ILE 52 -3.813 20.083 -24.980 379 HD12 ILE 52 1HD1 ILE 52 -2.416 19.356 -24.185 380 HD13 ILE 52 2HD1 ILE 52 -3.943 19.513 -23.316 381 H SER 53 H SER 53 -0.564 21.842 -27.523 382 HA SER 53 HA SER 53 1.225 24.128 -27.160 383 HB2 SER 53 2HB SER 53 2.225 21.613 -27.798 384 HB3 SER 53 3HB SER 53 2.120 22.432 -29.356 385 HG SER 53 HG SER 53 4.011 22.710 -27.618 386 H GLY 54 H GLY 54 0.920 25.722 -28.623 387 HA2 GLY 54 2HA GLY 54 0.412 26.428 -30.891 388 HA3 GLY 54 3HA GLY 54 -0.744 25.107 -30.982 389 H TYR 55 H TYR 55 -1.426 25.965 -28.061 390 HA TYR 55 HA TYR 55 -3.514 27.828 -28.892 391 HB2 TYR 55 2HB TYR 55 -4.802 26.765 -27.401 392 HB3 TYR 55 3HB TYR 55 -3.477 25.631 -27.166 393 HD1 TYR 55 HD1 TYR 55 -1.971 25.859 -25.243 394 HD2 TYR 55 HD2 TYR 55 -5.298 28.460 -25.761 395 HE1 TYR 55 HE1 TYR 55 -1.773 26.570 -22.897 396 HE2 TYR 55 HE2 TYR 55 -5.108 29.179 -23.417 397 HH TYR 55 HH TYR 55 -3.176 27.549 -21.146 398 H ASP 56 H ASP 56 -3.767 29.861 -28.081 399 HA ASP 56 HA ASP 56 -1.593 30.861 -26.361 400 HB2 ASP 56 2HB ASP 56 -3.003 32.075 -28.710 401 HB3 ASP 56 3HB ASP 56 -2.326 33.125 -27.468 402 H ALA 57 H ALA 57 -2.554 30.677 -24.379 403 HA ALA 57 HA ALA 57 -5.206 31.174 -23.725 404 HB1 ALA 57 1HB ALA 57 -2.740 30.742 -22.308 405 HB2 ALA 57 2HB ALA 57 -3.720 31.961 -21.492 406 HB3 ALA 57 3HB ALA 57 -4.394 30.365 -21.823 407 H GLN 58 H GLN 58 -2.578 33.399 -24.261 408 HA GLN 58 HA GLN 58 -3.765 35.662 -23.019 409 HB2 GLN 58 2HB GLN 58 -1.350 35.062 -24.443 410 HB3 GLN 58 3HB GLN 58 -2.063 36.524 -25.111 411 HG2 GLN 58 2HG GLN 58 -2.266 37.265 -22.643 412 HG3 GLN 58 3HG GLN 58 -1.073 36.002 -22.343 413 HE21 GLN 58 1HE2 GLN 58 -0.558 38.658 -21.811 414 HE22 GLN 58 2HE2 GLN 58 0.654 39.233 -22.900 415 H LYS 59 H LYS 59 -4.190 34.108 -26.071 416 HA LYS 59 HA LYS 59 -6.384 35.853 -26.717 417 HB2 LYS 59 2HB LYS 59 -3.771 36.186 -27.998 418 HB3 LYS 59 3HB LYS 59 -5.086 35.953 -29.143 419 HG2 LYS 59 2HG LYS 59 -5.976 37.970 -28.728 420 HG3 LYS 59 3HG LYS 59 -5.640 37.878 -26.997 421 HD2 LYS 59 2HD LYS 59 -3.139 38.123 -27.872 422 HD3 LYS 59 3HD LYS 59 -3.963 38.924 -29.212 423 HE2 LYS 59 2HE LYS 59 -4.679 39.662 -26.413 424 HE3 LYS 59 3HE LYS 59 -3.181 40.281 -27.105 425 HZ1 LYS 59 3HZ LYS 59 -5.957 40.814 -27.920 426 HZ2 LYS 59 1HZ LYS 59 -4.712 40.951 -29.058 427 HZ3 LYS 59 2HZ LYS 59 -4.689 41.904 -27.662 428 H THR 60 H THR 60 -7.919 34.494 -27.329 429 HA THR 60 HA THR 60 -7.209 31.921 -28.498 430 HB THR 60 HB THR 60 -9.934 31.897 -28.373 431 HG1 THR 60 HG1 THR 60 -9.799 34.029 -27.342 432 HG21 THR 60 3HG2 THR 60 -8.357 31.314 -25.897 433 HG22 THR 60 1HG2 THR 60 -8.072 30.379 -27.363 434 HG23 THR 60 2HG2 THR 60 -9.673 30.395 -26.625 435 H GLY 61 H GLY 61 -10.113 33.798 -29.214 436 HA2 GLY 61 2HA GLY 61 -11.143 34.195 -31.238 437 HA3 GLY 61 3HA GLY 61 -9.573 34.856 -31.671 438 H ARG 62 H ARG 62 -10.861 31.567 -31.161 439 HA ARG 62 HA ARG 62 -10.814 29.704 -32.465 440 HB2 ARG 62 2HB ARG 62 -11.819 31.421 -34.109 441 HB3 ARG 62 3HB ARG 62 -10.223 31.439 -34.848 442 HG2 ARG 62 2HG ARG 62 -11.517 28.806 -34.399 443 HG3 ARG 62 3HG ARG 62 -12.139 29.833 -35.692 444 HD2 ARG 62 2HD ARG 62 -9.473 30.018 -36.128 445 HD3 ARG 62 3HD ARG 62 -9.588 28.383 -35.481 446 HE ARG 62 HE ARG 62 -10.652 27.727 -37.404 447 HH11 ARG 62 1HH1 ARG 62 -10.577 31.204 -37.251 448 HH12 ARG 62 2HH1 ARG 62 -11.157 31.418 -38.869 449 HH21 ARG 62 1HH2 ARG 62 -11.417 27.996 -39.536 450 HH22 ARG 62 2HH2 ARG 62 -11.636 29.593 -40.168 451 H GLN 63 H GLN 63 -8.804 29.237 -31.317 452 HA GLN 63 HA GLN 63 -6.454 29.377 -33.090 453 HB2 GLN 63 2HB GLN 63 -6.749 29.721 -30.149 454 HB3 GLN 63 3HB GLN 63 -5.292 28.927 -30.731 455 HG2 GLN 63 2HG GLN 63 -5.996 31.404 -32.135 456 HG3 GLN 63 3HG GLN 63 -5.580 31.598 -30.433 457 HE21 GLN 63 1HE2 GLN 63 -3.766 32.813 -31.304 458 HE22 GLN 63 2HE2 GLN 63 -2.346 31.964 -31.799 459 H THR 64 H THR 64 -5.167 27.548 -33.315 460 HA THR 64 HA THR 64 -6.550 25.048 -32.987 461 HB THR 64 HB THR 64 -4.143 24.246 -33.850 462 HG1 THR 64 HG1 THR 64 -2.951 25.844 -34.560 463 HG21 THR 64 3HG2 THR 64 -6.291 25.590 -35.489 464 HG22 THR 64 1HG2 THR 64 -6.174 23.879 -35.083 465 HG23 THR 64 2HG2 THR 64 -4.993 24.609 -36.170 466 H LEU 65 H LEU 65 -5.697 23.187 -31.902 467 HA LEU 65 HA LEU 65 -3.647 23.666 -29.880 468 HB2 LEU 65 2HB LEU 65 -6.412 22.652 -29.235 469 HB3 LEU 65 3HB LEU 65 -5.056 22.703 -28.110 470 HG LEU 65 HG LEU 65 -5.131 25.285 -28.732 471 HD11 LEU 65 1HD1 LEU 65 -7.136 24.635 -30.290 472 HD12 LEU 65 2HD1 LEU 65 -7.167 26.131 -29.358 473 HD13 LEU 65 3HD1 LEU 65 -8.055 24.718 -28.787 474 HD21 LEU 65 3HD2 LEU 65 -5.397 24.142 -26.500 475 HD22 LEU 65 1HD2 LEU 65 -7.133 24.116 -26.813 476 HD23 LEU 65 2HD2 LEU 65 -6.282 25.656 -26.695 477 H THR 66 H THR 66 -2.407 21.918 -29.479 478 HA THR 66 HA THR 66 -3.332 19.300 -30.448 479 HB THR 66 HB THR 66 -0.582 19.265 -30.871 480 HG1 THR 66 HG1 THR 66 -0.039 21.248 -31.335 481 HG21 THR 66 3HG2 THR 66 -1.223 19.210 -33.275 482 HG22 THR 66 1HG2 THR 66 -2.861 19.669 -32.810 483 HG23 THR 66 2HG2 THR 66 -2.188 18.131 -32.269 484 H LEU 67 H LEU 67 -3.459 18.079 -28.679 485 HA LEU 67 HA LEU 67 -1.471 18.415 -26.553 486 HB2 LEU 67 2HB LEU 67 -2.999 17.575 -25.071 487 HB3 LEU 67 3HB LEU 67 -4.060 18.360 -26.239 488 HG LEU 67 HG LEU 67 -4.091 15.930 -27.295 489 HD11 LEU 67 1HD1 LEU 67 -4.305 14.553 -24.949 490 HD12 LEU 67 2HD1 LEU 67 -2.897 15.571 -24.652 491 HD13 LEU 67 3HD1 LEU 67 -2.924 14.490 -26.044 492 HD21 LEU 67 3HD2 LEU 67 -5.728 16.334 -24.826 493 HD22 LEU 67 1HD2 LEU 67 -6.203 15.677 -26.393 494 HD23 LEU 67 2HD2 LEU 67 -5.929 17.410 -26.210 495 H HIS 68 H HIS 68 0.003 16.895 -26.070 496 HA HIS 68 HA HIS 68 -0.181 14.308 -27.469 497 HB2 HIS 68 2HB HIS 68 1.548 15.622 -28.533 498 HB3 HIS 68 3HB HIS 68 2.277 15.999 -26.975 499 HD1 HIS 68 HD1 HIS 68 2.405 13.598 -29.706 500 HD2 HIS 68 HD2 HIS 68 3.451 13.649 -25.686 501 HE1 HIS 68 HE1 HIS 68 3.964 11.650 -29.392 502 H TYR 69 H TYR 69 -0.504 12.743 -26.043 503 HA TYR 69 HA TYR 69 1.114 12.684 -23.607 504 HB2 TYR 69 2HB TYR 69 -1.025 13.691 -22.947 505 HB3 TYR 69 3HB TYR 69 -1.891 12.321 -23.634 506 HD1 TYR 69 HD1 TYR 69 1.229 12.176 -21.634 507 HD2 TYR 69 HD2 TYR 69 -2.967 11.473 -21.715 508 HE1 TYR 69 HE1 TYR 69 1.390 11.000 -19.480 509 HE2 TYR 69 HE2 TYR 69 -2.817 10.296 -19.561 510 HH TYR 69 HH TYR 69 -1.264 9.209 -18.162 511 H GLN 70 H GLN 70 1.935 10.727 -23.218 512 HA GLN 70 HA GLN 70 2.426 8.518 -23.446 513 HB2 GLN 70 2HB GLN 70 -0.457 8.688 -23.177 514 HB3 GLN 70 3HB GLN 70 0.017 7.285 -24.125 515 HG2 GLN 70 2HG GLN 70 1.362 7.863 -21.523 516 HG3 GLN 70 3HG GLN 70 -0.217 7.080 -21.559 517 HE21 GLN 70 1HE2 GLN 70 2.805 6.358 -21.084 518 HE22 GLN 70 2HE2 GLN 70 2.933 4.820 -21.860 519 H GLY 71 H GLY 71 2.167 10.359 -25.862 520 HA2 GLY 71 2HA GLY 71 3.078 9.840 -27.998 521 HA3 GLY 71 3HA GLY 71 2.438 8.210 -27.843 522 H HIS 72 H HIS 72 -0.184 9.321 -26.916 523 HA HIS 72 HA HIS 72 -1.418 9.460 -29.480 524 HB2 HIS 72 2HB HIS 72 -3.311 9.015 -28.349 525 HB3 HIS 72 3HB HIS 72 -2.267 8.806 -26.946 526 HD1 HIS 72 HD1 HIS 72 -2.490 10.481 -25.070 527 HD2 HIS 72 HD2 HIS 72 -4.635 11.555 -28.462 528 HE1 HIS 72 HE1 HIS 72 -3.915 12.433 -24.375 529 H GLU 73 H GLU 73 -2.229 11.174 -30.592 530 HA GLU 73 HA GLU 73 -1.775 13.846 -29.435 531 HB2 GLU 73 2HB GLU 73 -1.094 14.675 -31.568 532 HB3 GLU 73 3HB GLU 73 -0.166 13.215 -31.258 533 HG2 GLU 73 2HG GLU 73 -1.958 12.010 -32.630 534 HG3 GLU 73 3HG GLU 73 -2.438 13.620 -33.164 535 H VAL 74 H VAL 74 -3.402 15.295 -29.571 536 HA VAL 74 HA VAL 74 -5.755 14.587 -31.190 537 HB VAL 74 HB VAL 74 -5.749 15.512 -28.318 538 HG11 VAL 74 1HG1 VAL 74 -8.375 15.074 -29.022 539 HG12 VAL 74 2HG1 VAL 74 -7.606 16.649 -28.814 540 HG13 VAL 74 3HG1 VAL 74 -7.719 15.925 -30.419 541 HG21 VAL 74 3HG2 VAL 74 -6.331 13.419 -27.757 542 HG22 VAL 74 1HG2 VAL 74 -7.413 13.249 -29.139 543 HG23 VAL 74 2HG2 VAL 74 -5.682 12.980 -29.337 544 H SER 75 H SER 75 -6.546 16.202 -32.390 545 HA SER 75 HA SER 75 -5.497 18.910 -31.899 546 HB2 SER 75 2HB SER 75 -4.833 17.805 -34.058 547 HB3 SER 75 3HB SER 75 -6.535 17.804 -34.518 548 HG SER 75 HG SER 75 -5.011 19.666 -35.122 549 H PHE 76 H PHE 76 -6.873 20.599 -31.701 550 HA PHE 76 HA PHE 76 -9.647 20.389 -32.461 551 HB2 PHE 76 2HB PHE 76 -10.339 21.045 -30.049 552 HB3 PHE 76 3HB PHE 76 -10.007 19.351 -30.399 553 HD1 PHE 76 HD2 PHE 76 -7.768 18.401 -29.762 554 HD2 PHE 76 HD1 PHE 76 -9.118 22.210 -28.427 555 HE1 PHE 76 HE2 PHE 76 -6.103 18.352 -27.951 556 HE2 PHE 76 HE1 PHE 76 -7.454 22.169 -26.615 557 HZ PHE 76 HZ PHE 76 -5.945 20.237 -26.374 558 H ASP 77 H ASP 77 -10.850 22.443 -31.740 559 HA ASP 77 HA ASP 77 -9.000 24.727 -31.963 560 HB2 ASP 77 2HB ASP 77 -11.674 24.202 -33.217 561 HB3 ASP 77 3HB ASP 77 -11.133 25.858 -32.956 562 H VAL 78 H VAL 78 -9.485 26.624 -30.809 563 HA VAL 78 HA VAL 78 -11.417 26.257 -28.612 564 HB VAL 78 HB VAL 78 -9.017 26.196 -27.897 565 HG11 VAL 78 1HG1 VAL 78 -7.696 28.198 -27.924 566 HG12 VAL 78 2HG1 VAL 78 -8.231 27.863 -29.573 567 HG13 VAL 78 3HG1 VAL 78 -9.025 29.121 -28.625 568 HG21 VAL 78 3HG2 VAL 78 -9.581 28.438 -26.361 569 HG22 VAL 78 1HG2 VAL 78 -11.164 27.831 -26.847 570 HG23 VAL 78 2HG2 VAL 78 -10.036 26.773 -26.000 571 H LEU 79 H LEU 79 -12.781 27.916 -28.133 572 HA LEU 79 HA LEU 79 -12.426 30.474 -29.511 573 HB2 LEU 79 2HB LEU 79 -14.016 28.729 -30.672 574 HB3 LEU 79 3HB LEU 79 -15.152 29.273 -29.440 575 HG LEU 79 HG LEU 79 -15.499 30.442 -31.550 576 HD11 LEU 79 1HD1 LEU 79 -15.954 32.413 -30.556 577 HD12 LEU 79 2HD1 LEU 79 -14.321 32.594 -29.915 578 HD13 LEU 79 3HD1 LEU 79 -15.477 31.542 -29.098 579 HD21 LEU 79 3HD2 LEU 79 -12.670 30.494 -31.610 580 HD22 LEU 79 1HD2 LEU 79 -13.233 32.165 -31.574 581 HD23 LEU 79 2HD2 LEU 79 -13.803 31.070 -32.833 582 H VAL 80 H VAL 80 -12.721 32.124 -28.169 583 HA VAL 80 HA VAL 80 -13.995 31.617 -25.580 584 HB VAL 80 HB VAL 80 -11.697 32.622 -25.675 585 HG11 VAL 80 1HG1 VAL 80 -13.124 35.111 -26.593 586 HG12 VAL 80 2HG1 VAL 80 -11.393 34.895 -26.331 587 HG13 VAL 80 3HG1 VAL 80 -12.195 34.064 -27.664 588 HG21 VAL 80 3HG2 VAL 80 -12.383 34.584 -24.097 589 HG22 VAL 80 1HG2 VAL 80 -14.004 33.913 -24.286 590 HG23 VAL 80 2HG2 VAL 80 -12.709 32.917 -23.622 591 H SER 81 H SER 81 -15.811 32.632 -24.914 592 HA SER 81 HA SER 81 -17.208 34.272 -26.899 593 HB2 SER 81 2HB SER 81 -19.028 33.820 -24.896 594 HB3 SER 81 3HB SER 81 -18.839 32.813 -26.332 595 HG SER 81 HG SER 81 -18.716 31.855 -24.060 596 HA PRO 82 HA PRO 82 -16.944 38.011 -24.621 597 HB2 PRO 82 2HB PRO 82 -19.421 39.073 -24.947 598 HB3 PRO 82 3HB PRO 82 -18.233 38.986 -26.253 599 HG2 PRO 82 2HG PRO 82 -20.554 37.185 -25.681 600 HG3 PRO 82 3HG PRO 82 -19.999 37.835 -27.234 601 HD2 PRO 82 2HD PRO 82 -19.441 35.311 -26.429 602 HD3 PRO 82 3HD PRO 82 -18.333 36.257 -27.443 603 H LYS 83 H LYS 83 -16.988 38.486 -22.517 604 HA LYS 83 HA LYS 83 -18.209 36.948 -20.577 605 HB2 LYS 83 2HB LYS 83 -17.854 38.990 -19.081 606 HB3 LYS 83 3HB LYS 83 -16.434 38.327 -19.879 607 HG2 LYS 83 2HG LYS 83 -16.316 40.094 -21.399 608 HG3 LYS 83 3HG LYS 83 -17.975 40.603 -21.074 609 HD2 LYS 83 2HD LYS 83 -17.321 41.296 -18.820 610 HD3 LYS 83 3HD LYS 83 -15.664 40.778 -19.139 611 HE2 LYS 83 2HE LYS 83 -15.261 42.521 -20.596 612 HE3 LYS 83 3HE LYS 83 -16.969 42.740 -20.972 613 HZ1 LYS 83 3HZ LYS 83 -15.454 43.682 -18.630 614 HZ2 LYS 83 1HZ LYS 83 -17.125 43.439 -18.510 615 HZ3 LYS 83 2HZ LYS 83 -16.509 44.540 -19.636 616 H ALA 84 H ALA 84 -19.959 37.387 -19.118 617 HA ALA 84 HA ALA 84 -21.925 39.375 -19.881 618 HB1 ALA 84 1HB ALA 84 -22.283 36.471 -20.395 619 HB2 ALA 84 2HB ALA 84 -23.675 37.393 -19.823 620 HB3 ALA 84 3HB ALA 84 -22.857 37.864 -21.313 621 H ALA 85 H ALA 85 -23.931 39.121 -18.403 622 HA ALA 85 HA ALA 85 -22.964 39.081 -15.697 623 HB1 ALA 85 1HB ALA 85 -24.525 40.784 -16.234 624 HB2 ALA 85 2HB ALA 85 -25.676 39.617 -16.888 625 HB3 ALA 85 3HB ALA 85 -25.353 39.661 -15.154 626 H LEU 86 H LEU 86 -23.542 37.692 -14.043 627 HA LEU 86 HA LEU 86 -24.895 35.208 -14.871 628 HB2 LEU 86 2HB LEU 86 -22.395 35.669 -13.336 629 HB3 LEU 86 3HB LEU 86 -23.416 34.317 -12.852 630 HG LEU 86 HG LEU 86 -22.630 34.571 -15.717 631 HD11 LEU 86 1HD1 LEU 86 -20.503 34.863 -14.765 632 HD12 LEU 86 2HD1 LEU 86 -20.618 33.139 -15.118 633 HD13 LEU 86 3HD1 LEU 86 -20.835 33.717 -13.466 634 HD21 LEU 86 3HD2 LEU 86 -22.671 32.052 -14.136 635 HD22 LEU 86 1HD2 LEU 86 -23.114 32.341 -15.819 636 HD23 LEU 86 2HD2 LEU 86 -24.208 32.827 -14.524 637 H ASN 87 H ASN 87 -25.589 33.928 -12.810 638 HA ASN 87 HA ASN 87 -26.442 35.605 -10.610 639 HB2 ASN 87 2HB ASN 87 -28.171 35.244 -12.795 640 HB3 ASN 87 3HB ASN 87 -28.769 34.166 -11.538 641 HD21 ASN 87 1HD2 ASN 87 -29.842 36.679 -12.675 642 HD22 ASN 87 2HD2 ASN 87 -30.106 37.714 -11.317 643 H ASP 88 H ASP 88 -26.983 34.448 -8.767 644 HA ASP 88 HA ASP 88 -26.298 31.598 -8.877 645 HB2 ASP 88 2HB ASP 88 -26.582 33.220 -6.357 646 HB3 ASP 88 3HB ASP 88 -25.660 31.741 -6.615 647 H GLU 89 H GLU 89 -27.439 30.512 -6.751 648 HA GLU 89 HA GLU 89 -30.076 30.027 -7.522 649 HB2 GLU 89 2HB GLU 89 -28.403 29.364 -5.164 650 HB3 GLU 89 3HB GLU 89 -30.144 29.228 -4.955 651 HG2 GLU 89 2HG GLU 89 -28.814 27.956 -7.305 652 HG3 GLU 89 3HG GLU 89 -28.774 27.173 -5.727 Start of MODEL 14 1 H SER 1 H SER 1 5.355 0.015 -1.709 2 HA SER 1 HA SER 1 6.213 -0.397 -3.779 3 HB2 SER 1 2HB SER 1 4.159 -1.217 -5.434 4 HB3 SER 1 3HB SER 1 5.178 -2.279 -4.463 5 HG SER 1 HG SER 1 3.627 -2.278 -2.865 6 HA PRO 2 HA PRO 2 5.490 3.220 -6.153 7 HB2 PRO 2 2HB PRO 2 6.213 2.437 -8.650 8 HB3 PRO 2 3HB PRO 2 7.381 2.698 -7.350 9 HG2 PRO 2 2HG PRO 2 6.201 0.135 -8.349 10 HG3 PRO 2 3HG PRO 2 7.880 0.496 -7.906 11 HD2 PRO 2 2HD PRO 2 6.187 -0.818 -6.252 12 HD3 PRO 2 3HD PRO 2 7.469 0.252 -5.651 13 H LYS 3 H LYS 3 3.857 4.229 -7.199 14 HA LYS 3 HA LYS 3 1.817 2.530 -8.479 15 HB2 LYS 3 2HB LYS 3 0.900 3.486 -6.486 16 HB3 LYS 3 3HB LYS 3 1.524 5.080 -6.891 17 HG2 LYS 3 2HG LYS 3 -0.006 5.206 -8.786 18 HG3 LYS 3 3HG LYS 3 -0.626 3.601 -8.395 19 HD2 LYS 3 2HD LYS 3 -0.674 5.820 -6.376 20 HD3 LYS 3 3HD LYS 3 -1.949 5.658 -7.586 21 HE2 LYS 3 2HE LYS 3 -2.784 3.759 -6.650 22 HE3 LYS 3 3HE LYS 3 -1.209 3.225 -6.065 23 HZ1 LYS 3 3HZ LYS 3 -3.142 4.250 -4.512 24 HZ2 LYS 3 1HZ LYS 3 -2.206 5.628 -4.809 25 HZ3 LYS 3 2HZ LYS 3 -1.497 4.258 -4.116 26 H THR 4 H THR 4 2.203 2.681 -10.611 27 HA THR 4 HA THR 4 2.403 5.387 -11.765 28 HB THR 4 HB THR 4 3.571 4.100 -13.714 29 HG1 THR 4 HG1 THR 4 4.056 2.095 -13.279 30 HG21 THR 4 3HG2 THR 4 5.789 4.291 -12.409 31 HG22 THR 4 1HG2 THR 4 4.789 4.896 -11.089 32 HG23 THR 4 2HG2 THR 4 4.822 5.749 -12.633 33 H ILE 5 H ILE 5 1.699 5.452 -14.094 34 HA ILE 5 HA ILE 5 -0.944 4.404 -14.297 35 HB ILE 5 HB ILE 5 -1.193 5.669 -16.230 36 HG12 ILE 5 2HG1 ILE 5 0.565 4.691 -17.575 37 HG13 ILE 5 3HG1 ILE 5 0.730 6.443 -17.617 38 HG21 ILE 5 1HG2 ILE 5 -0.306 7.822 -15.735 39 HG22 ILE 5 2HG2 ILE 5 -0.589 7.006 -14.199 40 HG23 ILE 5 3HG2 ILE 5 1.048 7.126 -14.845 41 HD11 ILE 5 3HD1 ILE 5 2.893 5.422 -17.404 42 HD12 ILE 5 1HD1 ILE 5 2.502 6.282 -15.915 43 HD13 ILE 5 2HD1 ILE 5 2.368 4.525 -15.980 44 H LEU 6 H LEU 6 -1.576 3.449 -16.569 45 HA LEU 6 HA LEU 6 0.307 1.652 -17.756 46 HB2 LEU 6 2HB LEU 6 -0.181 0.438 -15.693 47 HB3 LEU 6 3HB LEU 6 -1.904 0.503 -16.057 48 HG LEU 6 HG LEU 6 -0.223 -0.766 -18.118 49 HD11 LEU 6 1HD1 LEU 6 0.900 -2.088 -16.721 50 HD12 LEU 6 2HD1 LEU 6 -0.647 -2.863 -16.382 51 HD13 LEU 6 3HD1 LEU 6 -0.058 -1.574 -15.332 52 HD21 LEU 6 3HD2 LEU 6 -2.661 -0.666 -18.261 53 HD22 LEU 6 1HD2 LEU 6 -2.790 -1.548 -16.739 54 HD23 LEU 6 2HD2 LEU 6 -2.092 -2.333 -18.156 55 H GLY 7 H GLY 7 -3.110 2.429 -17.231 56 HA2 GLY 7 2HA GLY 7 -3.635 1.728 -20.048 57 HA3 GLY 7 3HA GLY 7 -4.853 1.779 -18.782 58 H ILE 8 H ILE 8 -5.147 3.084 -21.237 59 HA ILE 8 HA ILE 8 -5.267 5.865 -20.313 60 HB ILE 8 HB ILE 8 -3.331 5.802 -21.759 61 HG12 ILE 8 2HG1 ILE 8 -5.725 7.002 -23.169 62 HG13 ILE 8 3HG1 ILE 8 -4.782 7.775 -21.899 63 HG21 ILE 8 1HG2 ILE 8 -5.113 4.725 -23.936 64 HG22 ILE 8 2HG2 ILE 8 -3.375 5.010 -24.013 65 HG23 ILE 8 3HG2 ILE 8 -4.014 3.733 -22.978 66 HD11 ILE 8 3HD1 ILE 8 -4.063 8.706 -23.937 67 HD12 ILE 8 1HD1 ILE 8 -2.794 7.590 -23.433 68 HD13 ILE 8 2HD1 ILE 8 -3.929 7.122 -24.700 69 H GLU 9 H GLU 9 -7.196 6.781 -20.634 70 HA GLU 9 HA GLU 9 -8.955 5.721 -22.725 71 HB2 GLU 9 2HB GLU 9 -9.439 5.701 -19.798 72 HB3 GLU 9 3HB GLU 9 -10.793 6.171 -20.817 73 HG2 GLU 9 2HG GLU 9 -9.267 3.693 -21.456 74 HG3 GLU 9 3HG GLU 9 -10.445 3.681 -20.145 75 H VAL 10 H VAL 10 -9.817 7.295 -23.904 76 HA VAL 10 HA VAL 10 -9.399 10.046 -23.181 77 HB VAL 10 HB VAL 10 -9.182 9.314 -25.514 78 HG11 VAL 10 1HG1 VAL 10 -12.170 8.919 -25.467 79 HG12 VAL 10 2HG1 VAL 10 -11.083 8.669 -26.834 80 HG13 VAL 10 3HG1 VAL 10 -10.989 7.610 -25.426 81 HG21 VAL 10 3HG2 VAL 10 -10.748 11.540 -24.576 82 HG22 VAL 10 1HG2 VAL 10 -9.587 11.465 -25.902 83 HG23 VAL 10 2HG2 VAL 10 -11.276 11.042 -26.184 84 H SER 11 H SER 11 -10.794 11.416 -22.266 85 HA SER 11 HA SER 11 -13.655 10.853 -22.325 86 HB2 SER 11 2HB SER 11 -12.418 9.884 -20.204 87 HB3 SER 11 3HB SER 11 -12.478 11.563 -19.666 88 HG SER 11 HG SER 11 -14.316 10.159 -19.087 89 H GLN 12 H GLN 12 -11.776 12.876 -23.425 90 HA GLN 12 HA GLN 12 -12.607 15.303 -22.025 91 HB2 GLN 12 2HB GLN 12 -11.059 16.431 -23.653 92 HB3 GLN 12 3HB GLN 12 -10.286 15.277 -22.575 93 HG2 GLN 12 2HG GLN 12 -11.191 14.153 -25.125 94 HG3 GLN 12 3HG GLN 12 -9.929 15.377 -25.259 95 HE21 GLN 12 1HE2 GLN 12 -8.329 13.982 -25.877 96 HE22 GLN 12 2HE2 GLN 12 -7.657 12.785 -24.827 97 H GLU 13 H GLU 13 -14.131 16.650 -22.767 98 HA GLU 13 HA GLU 13 -15.363 16.005 -25.358 99 HB2 GLU 13 2HB GLU 13 -16.462 17.283 -22.861 100 HB3 GLU 13 3HB GLU 13 -17.309 17.358 -24.399 101 HG2 GLU 13 2HG GLU 13 -16.441 14.696 -23.428 102 HG3 GLU 13 3HG GLU 13 -17.795 15.475 -22.612 103 HA PRO 14 HA PRO 14 -14.162 19.853 -27.096 104 HB2 PRO 14 2HB PRO 14 -16.265 20.353 -28.739 105 HB3 PRO 14 3HB PRO 14 -15.064 19.100 -29.071 106 HG2 PRO 14 2HG PRO 14 -17.796 18.837 -27.875 107 HG3 PRO 14 3HG PRO 14 -17.005 17.818 -29.092 108 HD2 PRO 14 2HD PRO 14 -17.154 17.119 -26.480 109 HD3 PRO 14 3HD PRO 14 -15.784 16.664 -27.514 110 H LYS 15 H LYS 15 -14.201 21.877 -26.356 111 HA LYS 15 HA LYS 15 -16.572 23.366 -25.921 112 HB2 LYS 15 2HB LYS 15 -15.445 21.890 -23.643 113 HB3 LYS 15 3HB LYS 15 -15.695 23.604 -23.337 114 HG2 LYS 15 2HG LYS 15 -17.987 22.459 -24.651 115 HG3 LYS 15 3HG LYS 15 -17.584 21.563 -23.184 116 HD2 LYS 15 2HD LYS 15 -17.422 23.868 -22.062 117 HD3 LYS 15 3HD LYS 15 -18.277 24.470 -23.485 118 HE2 LYS 15 2HE LYS 15 -19.274 22.212 -21.756 119 HE3 LYS 15 3HE LYS 15 -19.740 23.897 -21.531 120 HZ1 LYS 15 3HZ LYS 15 -20.385 22.085 -23.764 121 HZ2 LYS 15 1HZ LYS 15 -20.406 23.761 -23.994 122 HZ3 LYS 15 2HZ LYS 15 -21.423 23.052 -22.843 123 H LYS 16 H LYS 16 -13.667 23.498 -23.914 124 HA LYS 16 HA LYS 16 -12.191 25.215 -23.576 125 HB2 LYS 16 2HB LYS 16 -11.758 24.028 -26.018 126 HB3 LYS 16 3HB LYS 16 -11.823 25.734 -26.439 127 HG2 LYS 16 2HG LYS 16 -9.959 26.254 -25.177 128 HG3 LYS 16 3HG LYS 16 -10.122 24.820 -24.160 129 HD2 LYS 16 2HD LYS 16 -9.435 24.718 -27.093 130 HD3 LYS 16 3HD LYS 16 -8.227 24.749 -25.807 131 HE2 LYS 16 2HE LYS 16 -10.341 22.733 -25.483 132 HE3 LYS 16 3HE LYS 16 -9.289 22.490 -26.877 133 HZ1 LYS 16 3HZ LYS 16 -8.662 21.523 -24.554 134 HZ2 LYS 16 1HZ LYS 16 -8.069 23.083 -24.276 135 HZ3 LYS 16 2HZ LYS 16 -7.466 22.166 -25.563 136 H ASP 17 H ASP 17 -14.901 26.079 -23.631 137 HA ASP 17 HA ASP 17 -14.687 28.714 -24.925 138 HB2 ASP 17 2HB ASP 17 -17.065 27.053 -24.109 139 HB3 ASP 17 3HB ASP 17 -17.213 28.772 -24.461 140 H TYR 18 H TYR 18 -14.338 30.422 -23.679 141 HA TYR 18 HA TYR 18 -15.334 30.436 -20.928 142 HB2 TYR 18 2HB TYR 18 -12.522 30.307 -21.723 143 HB3 TYR 18 3HB TYR 18 -12.876 31.666 -20.661 144 HD1 TYR 18 HD1 TYR 18 -13.537 27.997 -20.930 145 HD2 TYR 18 HD2 TYR 18 -12.805 31.321 -18.377 146 HE1 TYR 18 HE1 TYR 18 -13.480 26.487 -18.990 147 HE2 TYR 18 HE2 TYR 18 -12.745 29.819 -16.430 148 HH TYR 18 HH TYR 18 -12.227 26.774 -16.471 149 H LEU 19 H LEU 19 -15.468 32.561 -19.994 150 HA LEU 19 HA LEU 19 -15.613 34.677 -22.036 151 HB2 LEU 19 2HB LEU 19 -17.208 35.721 -20.290 152 HB3 LEU 19 3HB LEU 19 -17.786 34.415 -21.322 153 HG LEU 19 HG LEU 19 -18.476 34.317 -18.895 154 HD11 LEU 19 1HD1 LEU 19 -17.118 31.801 -19.126 155 HD12 LEU 19 2HD1 LEU 19 -17.743 32.303 -20.697 156 HD13 LEU 19 3HD1 LEU 19 -18.832 32.171 -19.316 157 HD21 LEU 19 3HD2 LEU 19 -16.066 34.970 -18.187 158 HD22 LEU 19 1HD2 LEU 19 -15.737 33.245 -18.356 159 HD23 LEU 19 2HD2 LEU 19 -16.967 33.800 -17.220 160 H VAL 20 H VAL 20 -15.179 36.876 -21.301 161 HA VAL 20 HA VAL 20 -12.719 37.224 -20.141 162 HB VAL 20 HB VAL 20 -13.446 39.595 -19.665 163 HG11 VAL 20 1HG1 VAL 20 -12.494 38.754 -21.838 164 HG12 VAL 20 2HG1 VAL 20 -14.150 38.660 -22.439 165 HG13 VAL 20 3HG1 VAL 20 -13.472 40.216 -21.955 166 HG21 VAL 20 3HG2 VAL 20 -15.868 39.482 -21.195 167 HG22 VAL 20 1HG2 VAL 20 -16.000 38.431 -19.785 168 HG23 VAL 20 2HG2 VAL 20 -15.600 40.136 -19.580 169 H GLY 21 H GLY 21 -11.921 37.619 -18.111 170 HA2 GLY 21 2HA GLY 21 -12.252 38.245 -15.795 171 HA3 GLY 21 3HA GLY 21 -13.841 37.499 -15.875 172 H ASP 22 H ASP 22 -12.617 35.202 -17.405 173 HA ASP 22 HA ASP 22 -11.372 33.860 -15.095 174 HB2 ASP 22 2HB ASP 22 -13.538 33.016 -16.937 175 HB3 ASP 22 3HB ASP 22 -12.370 31.779 -16.480 176 H SER 23 H SER 23 -11.271 34.480 -18.510 177 HA SER 23 HA SER 23 -9.662 34.146 -20.084 178 HB2 SER 23 2HB SER 23 -8.243 34.320 -17.586 179 HB3 SER 23 3HB SER 23 -7.440 33.160 -18.645 180 HG SER 23 HG SER 23 -6.599 35.043 -19.283 181 H LEU 24 H LEU 24 -7.928 32.369 -20.776 182 HA LEU 24 HA LEU 24 -9.303 30.055 -21.373 183 HB2 LEU 24 2HB LEU 24 -6.779 31.101 -21.901 184 HB3 LEU 24 3HB LEU 24 -6.465 29.545 -21.134 185 HG LEU 24 HG LEU 24 -8.312 29.824 -23.491 186 HD11 LEU 24 1HD1 LEU 24 -5.461 28.963 -23.750 187 HD12 LEU 24 2HD1 LEU 24 -5.890 30.671 -23.843 188 HD13 LEU 24 3HD1 LEU 24 -6.580 29.525 -24.993 189 HD21 LEU 24 3HD2 LEU 24 -7.105 27.611 -21.931 190 HD22 LEU 24 1HD2 LEU 24 -7.267 27.386 -23.673 191 HD23 LEU 24 2HD2 LEU 24 -8.692 27.731 -22.693 192 H ASP 25 H ASP 25 -9.798 28.243 -20.319 193 HA ASP 25 HA ASP 25 -8.203 26.973 -18.396 194 HB2 ASP 25 2HB ASP 25 -9.216 29.153 -17.228 195 HB3 ASP 25 3HB ASP 25 -10.585 28.071 -16.989 196 H LEU 26 H LEU 26 -9.361 25.906 -20.503 197 HA LEU 26 HA LEU 26 -11.947 24.996 -20.461 198 HB2 LEU 26 2HB LEU 26 -10.819 24.411 -22.368 199 HB3 LEU 26 3HB LEU 26 -9.389 23.878 -21.487 200 HG LEU 26 HG LEU 26 -11.790 22.224 -21.087 201 HD11 LEU 26 1HD1 LEU 26 -12.015 21.352 -23.182 202 HD12 LEU 26 2HD1 LEU 26 -10.376 21.788 -23.664 203 HD13 LEU 26 3HD1 LEU 26 -11.633 23.023 -23.598 204 HD21 LEU 26 3HD2 LEU 26 -10.132 20.971 -20.296 205 HD22 LEU 26 1HD2 LEU 26 -8.910 22.016 -21.020 206 HD23 LEU 26 2HD2 LEU 26 -9.625 20.711 -21.966 207 H SER 27 H SER 27 -13.093 23.448 -19.420 208 HA SER 27 HA SER 27 -11.673 21.815 -17.422 209 HB2 SER 27 2HB SER 27 -13.066 22.439 -15.729 210 HB3 SER 27 3HB SER 27 -13.240 23.895 -16.709 211 HG SER 27 HG SER 27 -15.067 21.942 -16.134 212 H GLU 28 H GLU 28 -13.439 21.767 -20.173 213 HA GLU 28 HA GLU 28 -15.045 19.424 -19.507 214 HB2 GLU 28 2HB GLU 28 -14.933 21.335 -21.793 215 HB3 GLU 28 3HB GLU 28 -15.541 19.715 -22.100 216 HG2 GLU 28 2HG GLU 28 -16.700 20.949 -19.730 217 HG3 GLU 28 3HG GLU 28 -17.016 21.843 -21.216 218 H GLY 29 H GLY 29 -11.997 20.204 -20.816 219 HA2 GLY 29 2HA GLY 29 -11.772 17.695 -22.298 220 HA3 GLY 29 3HA GLY 29 -10.581 18.986 -22.255 221 H ARG 30 H ARG 30 -12.004 16.381 -20.327 222 HA ARG 30 HA ARG 30 -9.518 16.286 -18.752 223 HB2 ARG 30 2HB ARG 30 -10.741 15.323 -16.959 224 HB3 ARG 30 3HB ARG 30 -11.698 16.682 -17.535 225 HG2 ARG 30 2HG ARG 30 -12.558 14.439 -18.991 226 HG3 ARG 30 3HG ARG 30 -12.420 13.927 -17.308 227 HD2 ARG 30 2HD ARG 30 -13.771 15.890 -16.643 228 HD3 ARG 30 3HD ARG 30 -13.970 16.295 -18.348 229 HE ARG 30 HE ARG 30 -14.803 13.626 -17.742 230 HH11 ARG 30 1HH1 ARG 30 -15.768 16.970 -17.694 231 HH12 ARG 30 2HH1 ARG 30 -17.462 16.618 -17.783 232 HH21 ARG 30 1HH2 ARG 30 -17.030 13.149 -17.860 233 HH22 ARG 30 2HH2 ARG 30 -18.179 14.444 -17.877 234 H PHE 31 H PHE 31 -8.618 14.220 -18.252 235 HA PHE 31 HA PHE 31 -9.438 12.069 -20.087 236 HB2 PHE 31 2HB PHE 31 -6.883 11.506 -20.028 237 HB3 PHE 31 3HB PHE 31 -7.476 12.760 -21.113 238 HD1 PHE 31 HD2 PHE 31 -7.078 15.120 -20.620 239 HD2 PHE 31 HD1 PHE 31 -5.488 12.032 -18.160 240 HE1 PHE 31 HE2 PHE 31 -5.521 16.733 -19.607 241 HE2 PHE 31 HE1 PHE 31 -3.929 13.641 -17.142 242 HZ PHE 31 HZ PHE 31 -3.943 15.995 -17.866 243 H ALA 32 H ALA 32 -9.161 9.945 -19.352 244 HA ALA 32 HA ALA 32 -8.842 9.723 -16.434 245 HB1 ALA 32 1HB ALA 32 -10.571 8.304 -16.378 246 HB2 ALA 32 2HB ALA 32 -10.948 8.931 -17.983 247 HB3 ALA 32 3HB ALA 32 -10.028 7.436 -17.815 248 H VAL 33 H VAL 33 -7.108 8.712 -15.678 249 HA VAL 33 HA VAL 33 -5.597 6.960 -17.503 250 HB VAL 33 HB VAL 33 -4.424 9.024 -16.699 251 HG11 VAL 33 1HG1 VAL 33 -5.513 8.406 -14.270 252 HG12 VAL 33 2HG1 VAL 33 -3.842 7.871 -14.075 253 HG13 VAL 33 3HG1 VAL 33 -4.187 9.539 -14.532 254 HG21 VAL 33 3HG2 VAL 33 -2.342 7.820 -16.038 255 HG22 VAL 33 1HG2 VAL 33 -3.291 6.337 -15.938 256 HG23 VAL 33 2HG2 VAL 33 -3.119 7.172 -17.482 257 H ALA 34 H ALA 34 -5.025 4.931 -16.870 258 HA ALA 34 HA ALA 34 -6.245 3.962 -14.380 259 HB1 ALA 34 1HB ALA 34 -5.209 1.985 -16.292 260 HB2 ALA 34 2HB ALA 34 -6.748 2.039 -15.430 261 HB3 ALA 34 3HB ALA 34 -6.523 2.996 -16.894 262 H TYR 35 H TYR 35 -5.004 3.394 -12.721 263 HA TYR 35 HA TYR 35 -2.120 3.413 -13.024 264 HB2 TYR 35 2HB TYR 35 -4.000 3.362 -10.686 265 HB3 TYR 35 3HB TYR 35 -2.302 2.959 -10.461 266 HD1 TYR 35 HD1 TYR 35 -0.558 4.676 -11.097 267 HD2 TYR 35 HD2 TYR 35 -4.702 5.605 -10.844 268 HE1 TYR 35 HE1 TYR 35 -0.006 7.068 -10.942 269 HE2 TYR 35 HE2 TYR 35 -4.162 7.999 -10.689 270 HH TYR 35 HH TYR 35 -0.793 9.126 -10.676 271 H SER 36 H SER 36 -0.742 1.708 -12.432 272 HA SER 36 HA SER 36 -1.580 -0.855 -13.247 273 HB2 SER 36 2HB SER 36 0.625 -1.505 -12.976 274 HB3 SER 36 3HB SER 36 0.815 0.242 -13.127 275 HG SER 36 HG SER 36 1.463 0.337 -11.126 276 H ASN 37 H ASN 37 -1.884 0.759 -10.277 277 HA ASN 37 HA ASN 37 -2.085 -1.711 -8.731 278 HB2 ASN 37 2HB ASN 37 -0.932 0.474 -7.930 279 HB3 ASN 37 3HB ASN 37 -2.571 1.043 -7.631 280 HD21 ASN 37 1HD2 ASN 37 -0.433 -1.699 -6.971 281 HD22 ASN 37 2HD2 ASN 37 -1.031 -2.005 -5.379 282 H ASP 38 H ASP 38 -4.028 -0.839 -10.844 283 HA ASP 38 HA ASP 38 -6.272 -0.941 -11.206 284 HB2 ASP 38 2HB ASP 38 -6.575 -1.873 -8.354 285 HB3 ASP 38 3HB ASP 38 -7.614 -2.232 -9.731 286 H THR 39 H THR 39 -5.878 1.484 -11.119 287 HA THR 39 HA THR 39 -7.888 2.642 -9.358 288 HB THR 39 HB THR 39 -5.632 4.446 -9.467 289 HG1 THR 39 HG1 THR 39 -4.392 3.109 -7.909 290 HG21 THR 39 3HG2 THR 39 -7.326 3.194 -7.324 291 HG22 THR 39 1HG2 THR 39 -7.317 4.864 -7.887 292 HG23 THR 39 2HG2 THR 39 -5.969 4.248 -6.931 293 H MET 40 H MET 40 -8.549 4.800 -10.024 294 HA MET 40 HA MET 40 -7.759 5.534 -12.751 295 HB2 MET 40 2HB MET 40 -10.416 4.641 -11.838 296 HB3 MET 40 3HB MET 40 -10.418 6.106 -12.811 297 HG2 MET 40 2HG MET 40 -9.296 4.968 -14.611 298 HG3 MET 40 3HG MET 40 -9.133 3.513 -13.629 299 HE1 MET 40 3HE MET 40 -12.602 5.755 -14.946 300 HE2 MET 40 1HE MET 40 -10.995 5.789 -15.673 301 HE3 MET 40 2HE MET 40 -12.265 4.796 -16.388 302 H GLU 41 H GLU 41 -7.628 7.690 -13.117 303 HA GLU 41 HA GLU 41 -8.693 9.506 -11.066 304 HB2 GLU 41 2HB GLU 41 -5.892 9.099 -11.866 305 HB3 GLU 41 3HB GLU 41 -6.404 10.781 -11.845 306 HG2 GLU 41 2HG GLU 41 -7.128 10.541 -9.531 307 HG3 GLU 41 3HG GLU 41 -6.633 8.850 -9.548 308 H GLU 42 H GLU 42 -9.665 11.293 -11.833 309 HA GLU 42 HA GLU 42 -9.439 11.822 -14.724 310 HB2 GLU 42 2HB GLU 42 -11.788 11.620 -12.933 311 HB3 GLU 42 3HB GLU 42 -11.828 12.920 -14.116 312 HG2 GLU 42 2HG GLU 42 -11.897 11.484 -15.901 313 HG3 GLU 42 3HG GLU 42 -11.125 10.171 -15.014 314 H HIS 43 H HIS 43 -9.005 13.857 -15.374 315 HA HIS 43 HA HIS 43 -9.352 16.109 -13.593 316 HB2 HIS 43 2HB HIS 43 -6.758 14.820 -13.969 317 HB3 HIS 43 3HB HIS 43 -6.733 16.533 -14.380 318 HD1 HIS 43 HD1 HIS 43 -8.666 17.568 -12.194 319 HD2 HIS 43 HD2 HIS 43 -5.557 14.897 -11.521 320 HE1 HIS 43 HE1 HIS 43 -8.107 17.790 -9.753 321 H SER 44 H SER 44 -9.519 18.039 -14.666 322 HA SER 44 HA SER 44 -9.281 17.899 -17.600 323 HB2 SER 44 2HB SER 44 -10.950 20.071 -16.630 324 HB3 SER 44 3HB SER 44 -11.334 18.794 -17.784 325 HG SER 44 HG SER 44 -12.647 18.670 -15.921 326 H PHE 45 H PHE 45 -7.777 19.135 -18.489 327 HA PHE 45 HA PHE 45 -6.001 20.588 -18.595 328 HB2 PHE 45 2HB PHE 45 -8.108 21.900 -19.200 329 HB3 PHE 45 3HB PHE 45 -8.012 22.596 -17.586 330 HD1 PHE 45 HD1 PHE 45 -5.513 21.874 -20.265 331 HD2 PHE 45 HD2 PHE 45 -7.238 24.749 -17.643 332 HE1 PHE 45 HE1 PHE 45 -3.939 23.572 -21.097 333 HE2 PHE 45 HE2 PHE 45 -5.668 26.452 -18.471 334 HZ PHE 45 HZ PHE 45 -4.016 25.865 -20.201 335 H THR 46 H THR 46 -5.106 19.421 -16.644 336 HA THR 46 HA THR 46 -4.087 21.338 -14.809 337 HB THR 46 HB THR 46 -6.145 21.131 -13.626 338 HG1 THR 46 HG1 THR 46 -5.386 20.204 -11.671 339 HG21 THR 46 3HG2 THR 46 -6.856 19.009 -14.746 340 HG22 THR 46 1HG2 THR 46 -7.170 19.051 -13.012 341 HG23 THR 46 2HG2 THR 46 -5.800 18.134 -13.638 342 H ASP 47 H ASP 47 -4.708 17.890 -15.362 343 HA ASP 47 HA ASP 47 -2.514 16.892 -13.925 344 HB2 ASP 47 2HB ASP 47 -4.576 15.832 -15.539 345 HB3 ASP 47 3HB ASP 47 -3.060 15.246 -16.217 346 H GLU 48 H GLU 48 -0.435 16.333 -14.515 347 HA GLU 48 HA GLU 48 0.617 17.791 -16.816 348 HB2 GLU 48 2HB GLU 48 1.797 16.679 -14.305 349 HB3 GLU 48 3HB GLU 48 2.844 16.933 -15.694 350 HG2 GLU 48 2HG GLU 48 3.048 19.053 -15.119 351 HG3 GLU 48 3HG GLU 48 1.323 19.278 -15.403 352 H GLY 49 H GLY 49 -0.865 15.158 -16.924 353 HA2 GLY 49 2HA GLY 49 1.158 13.276 -17.808 354 HA3 GLY 49 3HA GLY 49 -0.579 13.010 -17.785 355 H VAL 50 H VAL 50 -1.208 15.430 -19.260 356 HA VAL 50 HA VAL 50 -0.320 14.547 -21.926 357 HB VAL 50 HB VAL 50 -2.365 15.388 -22.837 358 HG11 VAL 50 1HG1 VAL 50 -3.643 14.166 -20.520 359 HG12 VAL 50 2HG1 VAL 50 -3.571 13.618 -22.196 360 HG13 VAL 50 3HG1 VAL 50 -2.239 13.267 -21.094 361 HG21 VAL 50 3HG2 VAL 50 -2.637 17.403 -21.556 362 HG22 VAL 50 1HG2 VAL 50 -4.095 16.426 -21.384 363 HG23 VAL 50 2HG2 VAL 50 -2.910 16.479 -20.079 364 H GLU 51 H GLU 51 0.527 15.988 -23.356 365 HA GLU 51 HA GLU 51 1.066 18.684 -22.312 366 HB2 GLU 51 2HB GLU 51 2.558 16.913 -24.234 367 HB3 GLU 51 3HB GLU 51 2.871 18.641 -24.148 368 HG2 GLU 51 2HG GLU 51 2.946 17.758 -21.507 369 HG3 GLU 51 3HG GLU 51 3.791 16.521 -22.436 370 H ILE 52 H ILE 52 0.529 20.480 -23.458 371 HA ILE 52 HA ILE 52 -1.046 20.041 -25.906 372 HB ILE 52 HB ILE 52 -1.176 22.479 -24.141 373 HG12 ILE 52 2HG1 ILE 52 -1.798 20.493 -22.827 374 HG13 ILE 52 3HG1 ILE 52 -3.194 21.519 -23.138 375 HG21 ILE 52 1HG2 ILE 52 -3.534 22.438 -25.284 376 HG22 ILE 52 2HG2 ILE 52 -2.133 23.086 -26.135 377 HG23 ILE 52 3HG2 ILE 52 -2.700 21.453 -26.485 378 HD11 ILE 52 3HD1 ILE 52 -3.109 19.684 -25.247 379 HD12 ILE 52 1HD1 ILE 52 -2.783 18.762 -23.780 380 HD13 ILE 52 2HD1 ILE 52 -4.249 19.736 -23.903 381 H SER 53 H SER 53 -0.598 21.168 -27.743 382 HA SER 53 HA SER 53 1.581 23.137 -27.652 383 HB2 SER 53 2HB SER 53 1.894 20.561 -28.644 384 HB3 SER 53 3HB SER 53 1.615 21.534 -30.088 385 HG SER 53 HG SER 53 3.275 22.982 -29.098 386 H GLY 54 H GLY 54 1.298 24.899 -28.914 387 HA2 GLY 54 2HA GLY 54 0.468 26.067 -30.809 388 HA3 GLY 54 3HA GLY 54 -0.769 24.833 -30.994 389 H TYR 55 H TYR 55 -0.780 25.404 -27.810 390 HA TYR 55 HA TYR 55 -3.102 27.133 -28.011 391 HB2 TYR 55 2HB TYR 55 -3.753 26.277 -26.003 392 HB3 TYR 55 3HB TYR 55 -2.637 24.993 -26.457 393 HD1 TYR 55 HD1 TYR 55 -0.255 25.110 -25.562 394 HD2 TYR 55 HD2 TYR 55 -3.415 27.519 -24.043 395 HE1 TYR 55 HE1 TYR 55 1.042 25.505 -23.510 396 HE2 TYR 55 HE2 TYR 55 -2.127 27.922 -21.986 397 HH TYR 55 HH TYR 55 0.275 26.158 -20.947 398 H ASP 56 H ASP 56 -3.284 29.174 -27.199 399 HA ASP 56 HA ASP 56 -0.794 30.419 -26.230 400 HB2 ASP 56 2HB ASP 56 -3.053 31.648 -27.824 401 HB3 ASP 56 3HB ASP 56 -1.679 32.541 -27.179 402 H ALA 57 H ALA 57 -1.139 30.173 -24.044 403 HA ALA 57 HA ALA 57 -3.478 30.486 -22.621 404 HB1 ALA 57 1HB ALA 57 -1.235 31.597 -21.169 405 HB2 ALA 57 2HB ALA 57 -2.157 30.123 -20.868 406 HB3 ALA 57 3HB ALA 57 -0.803 30.102 -21.998 407 H GLN 58 H GLN 58 -1.083 32.991 -23.424 408 HA GLN 58 HA GLN 58 -2.867 35.053 -22.390 409 HB2 GLN 58 2HB GLN 58 -0.324 34.977 -22.006 410 HB3 GLN 58 3HB GLN 58 -0.186 35.524 -23.672 411 HG2 GLN 58 2HG GLN 58 -2.017 37.267 -22.575 412 HG3 GLN 58 3HG GLN 58 -0.857 37.007 -21.273 413 HE21 GLN 58 1HE2 GLN 58 1.504 36.921 -22.259 414 HE22 GLN 58 2HE2 GLN 58 1.895 38.289 -23.239 415 H LYS 59 H LYS 59 -3.926 33.752 -24.577 416 HA LYS 59 HA LYS 59 -4.613 35.863 -26.270 417 HB2 LYS 59 2HB LYS 59 -2.109 34.895 -26.933 418 HB3 LYS 59 3HB LYS 59 -3.171 34.047 -28.049 419 HG2 LYS 59 2HG LYS 59 -3.847 35.987 -29.093 420 HG3 LYS 59 3HG LYS 59 -3.436 37.000 -27.707 421 HD2 LYS 59 2HD LYS 59 -1.349 37.319 -28.442 422 HD3 LYS 59 3HD LYS 59 -1.126 35.602 -28.786 423 HE2 LYS 59 2HE LYS 59 -2.654 36.089 -30.833 424 HE3 LYS 59 3HE LYS 59 -2.198 37.768 -30.550 425 HZ1 LYS 59 3HZ LYS 59 0.093 36.114 -30.483 426 HZ2 LYS 59 1HZ LYS 59 -0.254 37.409 -31.516 427 HZ3 LYS 59 2HZ LYS 59 -0.757 35.846 -31.921 428 H THR 60 H THR 60 -6.679 35.191 -26.267 429 HA THR 60 HA THR 60 -7.235 32.465 -27.243 430 HB THR 60 HB THR 60 -9.587 33.171 -26.117 431 HG1 THR 60 HG1 THR 60 -7.683 34.216 -24.296 432 HG21 THR 60 3HG2 THR 60 -7.359 31.491 -25.450 433 HG22 THR 60 1HG2 THR 60 -9.073 31.246 -25.118 434 HG23 THR 60 2HG2 THR 60 -8.073 32.145 -23.976 435 H GLY 61 H GLY 61 -9.673 32.439 -28.086 436 HA2 GLY 61 2HA GLY 61 -11.279 33.973 -29.258 437 HA3 GLY 61 3HA GLY 61 -9.858 34.643 -30.046 438 H ARG 62 H ARG 62 -8.464 32.289 -30.605 439 HA ARG 62 HA ARG 62 -9.997 30.293 -31.850 440 HB2 ARG 62 2HB ARG 62 -10.381 32.484 -33.274 441 HB3 ARG 62 3HB ARG 62 -8.813 32.060 -33.948 442 HG2 ARG 62 2HG ARG 62 -10.614 29.789 -33.851 443 HG3 ARG 62 3HG ARG 62 -11.268 31.133 -34.791 444 HD2 ARG 62 2HD ARG 62 -8.841 31.167 -35.806 445 HD3 ARG 62 3HD ARG 62 -8.824 29.492 -35.256 446 HE ARG 62 HE ARG 62 -10.281 30.565 -37.477 447 HH11 ARG 62 1HH1 ARG 62 -10.222 28.053 -35.067 448 HH12 ARG 62 2HH1 ARG 62 -11.173 26.950 -36.006 449 HH21 ARG 62 1HH2 ARG 62 -11.534 29.122 -38.722 450 HH22 ARG 62 2HH2 ARG 62 -11.918 27.559 -38.085 451 H GLN 63 H GLN 63 -8.007 29.762 -30.356 452 HA GLN 63 HA GLN 63 -5.624 29.426 -32.048 453 HB2 GLN 63 2HB GLN 63 -5.688 29.085 -29.059 454 HB3 GLN 63 3HB GLN 63 -4.295 29.359 -30.097 455 HG2 GLN 63 2HG GLN 63 -6.392 31.313 -29.229 456 HG3 GLN 63 3HG GLN 63 -4.647 31.386 -28.990 457 HE21 GLN 63 1HE2 GLN 63 -3.692 30.876 -31.477 458 HE22 GLN 63 2HE2 GLN 63 -4.171 32.128 -32.568 459 H THR 64 H THR 64 -4.687 27.421 -32.298 460 HA THR 64 HA THR 64 -6.450 25.171 -31.960 461 HB THR 64 HB THR 64 -4.237 23.985 -32.862 462 HG1 THR 64 HG1 THR 64 -3.935 26.577 -33.960 463 HG21 THR 64 3HG2 THR 64 -6.151 25.706 -34.431 464 HG22 THR 64 1HG2 THR 64 -6.264 23.975 -34.118 465 HG23 THR 64 2HG2 THR 64 -5.004 24.598 -35.184 466 H LEU 65 H LEU 65 -5.853 23.180 -30.908 467 HA LEU 65 HA LEU 65 -3.731 23.320 -28.917 468 HB2 LEU 65 2HB LEU 65 -6.652 23.060 -28.285 469 HB3 LEU 65 3HB LEU 65 -5.414 22.430 -27.200 470 HG LEU 65 HG LEU 65 -4.585 25.011 -27.583 471 HD11 LEU 65 1HD1 LEU 65 -6.333 26.038 -28.589 472 HD12 LEU 65 2HD1 LEU 65 -6.921 26.126 -26.930 473 HD13 LEU 65 3HD1 LEU 65 -7.508 24.859 -28.006 474 HD21 LEU 65 3HD2 LEU 65 -5.935 25.304 -25.326 475 HD22 LEU 65 1HD2 LEU 65 -4.497 24.286 -25.424 476 HD23 LEU 65 2HD2 LEU 65 -6.101 23.555 -25.484 477 H THR 66 H THR 66 -2.605 21.534 -29.287 478 HA THR 66 HA THR 66 -4.056 19.060 -29.961 479 HB THR 66 HB THR 66 -1.241 18.808 -30.431 480 HG1 THR 66 HG1 THR 66 -0.873 20.837 -30.985 481 HG21 THR 66 3HG2 THR 66 -3.726 18.774 -32.120 482 HG22 THR 66 1HG2 THR 66 -2.721 17.418 -31.612 483 HG23 THR 66 2HG2 THR 66 -2.125 18.552 -32.824 484 H LEU 67 H LEU 67 -4.262 17.737 -28.284 485 HA LEU 67 HA LEU 67 -2.220 17.746 -26.183 486 HB2 LEU 67 2HB LEU 67 -3.810 16.932 -24.722 487 HB3 LEU 67 3HB LEU 67 -4.753 17.993 -25.767 488 HG LEU 67 HG LEU 67 -5.161 15.706 -27.064 489 HD11 LEU 67 1HD1 LEU 67 -4.584 13.865 -25.976 490 HD12 LEU 67 2HD1 LEU 67 -5.513 14.376 -24.567 491 HD13 LEU 67 3HD1 LEU 67 -3.824 14.855 -24.730 492 HD21 LEU 67 3HD2 LEU 67 -6.786 17.322 -25.952 493 HD22 LEU 67 1HD2 LEU 67 -6.690 16.268 -24.541 494 HD23 LEU 67 2HD2 LEU 67 -7.289 15.635 -26.074 495 H HIS 68 H HIS 68 -0.890 16.072 -25.842 496 HA HIS 68 HA HIS 68 -1.392 13.584 -27.338 497 HB2 HIS 68 2HB HIS 68 1.119 15.186 -27.019 498 HB3 HIS 68 3HB HIS 68 1.227 13.442 -27.234 499 HD1 HIS 68 HD1 HIS 68 -0.238 16.467 -29.001 500 HD2 HIS 68 HD2 HIS 68 1.133 12.633 -29.827 501 HE1 HIS 68 HE1 HIS 68 -0.270 16.267 -31.507 502 H TYR 69 H TYR 69 -1.416 11.764 -26.178 503 HA TYR 69 HA TYR 69 -0.066 11.692 -23.581 504 HB2 TYR 69 2HB TYR 69 -2.499 12.330 -23.289 505 HB3 TYR 69 3HB TYR 69 -2.912 10.738 -23.916 506 HD1 TYR 69 HD1 TYR 69 -0.159 11.681 -21.594 507 HD2 TYR 69 HD2 TYR 69 -3.860 9.640 -22.087 508 HE1 TYR 69 HE1 TYR 69 0.068 10.737 -19.335 509 HE2 TYR 69 HE2 TYR 69 -3.644 8.691 -19.828 510 HH TYR 69 HH TYR 69 -0.728 8.927 -18.007 511 H GLN 70 H GLN 70 1.247 10.003 -23.630 512 HA GLN 70 HA GLN 70 2.066 7.904 -23.943 513 HB2 GLN 70 2HB GLN 70 -0.824 7.531 -23.751 514 HB3 GLN 70 3HB GLN 70 -0.037 6.281 -24.705 515 HG2 GLN 70 2HG GLN 70 0.931 7.066 -21.977 516 HG3 GLN 70 3HG GLN 70 -0.312 5.842 -22.227 517 HE21 GLN 70 1HE2 GLN 70 0.239 3.909 -23.277 518 HE22 GLN 70 2HE2 GLN 70 1.879 3.375 -23.383 519 H GLY 71 H GLY 71 -0.615 7.574 -26.232 520 HA2 GLY 71 2HA GLY 71 1.229 7.948 -28.474 521 HA3 GLY 71 3HA GLY 71 0.452 6.380 -28.316 522 H HIS 72 H HIS 72 -1.476 8.939 -27.212 523 HA HIS 72 HA HIS 72 -3.008 8.881 -29.727 524 HB2 HIS 72 2HB HIS 72 -3.809 8.819 -26.872 525 HB3 HIS 72 3HB HIS 72 -4.826 9.770 -27.951 526 HD1 HIS 72 HD1 HIS 72 -3.216 6.661 -29.238 527 HD2 HIS 72 HD2 HIS 72 -6.899 7.885 -27.754 528 HE1 HIS 72 HE1 HIS 72 -4.811 4.791 -29.770 529 H GLU 73 H GLU 73 -4.000 10.815 -30.452 530 HA GLU 73 HA GLU 73 -3.079 13.298 -29.197 531 HB2 GLU 73 2HB GLU 73 -2.292 14.220 -31.261 532 HB3 GLU 73 3HB GLU 73 -1.509 12.662 -31.043 533 HG2 GLU 73 2HG GLU 73 -3.037 11.637 -32.614 534 HG3 GLU 73 3HG GLU 73 -3.910 13.159 -32.788 535 H VAL 74 H VAL 74 -4.543 14.917 -29.225 536 HA VAL 74 HA VAL 74 -6.946 14.570 -30.893 537 HB VAL 74 HB VAL 74 -6.995 15.629 -28.068 538 HG11 VAL 74 1HG1 VAL 74 -9.117 14.942 -30.085 539 HG12 VAL 74 2HG1 VAL 74 -9.462 15.132 -28.365 540 HG13 VAL 74 3HG1 VAL 74 -8.822 16.489 -29.292 541 HG21 VAL 74 3HG2 VAL 74 -6.738 13.500 -27.427 542 HG22 VAL 74 1HG2 VAL 74 -8.374 13.258 -28.039 543 HG23 VAL 74 2HG2 VAL 74 -6.986 12.885 -29.061 544 H SER 75 H SER 75 -7.775 16.390 -31.818 545 HA SER 75 HA SER 75 -6.241 18.869 -31.402 546 HB2 SER 75 2HB SER 75 -6.387 19.331 -33.648 547 HB3 SER 75 3HB SER 75 -6.443 17.570 -33.722 548 HG SER 75 HG SER 75 -8.167 18.137 -34.883 549 H PHE 76 H PHE 76 -7.258 20.698 -30.812 550 HA PHE 76 HA PHE 76 -10.163 20.871 -30.999 551 HB2 PHE 76 2HB PHE 76 -8.598 20.857 -28.438 552 HB3 PHE 76 3HB PHE 76 -10.097 21.773 -28.553 553 HD1 PHE 76 HD1 PHE 76 -11.903 20.164 -30.025 554 HD2 PHE 76 HD2 PHE 76 -8.927 18.933 -27.242 555 HE1 PHE 76 HE1 PHE 76 -13.190 18.119 -29.559 556 HE2 PHE 76 HE2 PHE 76 -10.208 16.885 -26.772 557 HZ PHE 76 HZ PHE 76 -12.341 16.476 -27.932 558 H ASP 77 H ASP 77 -10.891 23.109 -30.166 559 HA ASP 77 HA ASP 77 -8.863 25.138 -30.818 560 HB2 ASP 77 2HB ASP 77 -11.727 25.123 -31.798 561 HB3 ASP 77 3HB ASP 77 -10.548 26.400 -32.085 562 H VAL 78 H VAL 78 -9.106 27.148 -29.804 563 HA VAL 78 HA VAL 78 -11.028 27.172 -27.567 564 HB VAL 78 HB VAL 78 -8.743 26.910 -26.748 565 HG11 VAL 78 1HG1 VAL 78 -7.821 29.577 -27.495 566 HG12 VAL 78 2HG1 VAL 78 -6.970 28.031 -27.527 567 HG13 VAL 78 3HG1 VAL 78 -8.020 28.489 -28.868 568 HG21 VAL 78 3HG2 VAL 78 -10.397 28.253 -25.474 569 HG22 VAL 78 1HG2 VAL 78 -8.726 28.724 -25.166 570 HG23 VAL 78 2HG2 VAL 78 -9.739 29.708 -26.222 571 H LEU 79 H LEU 79 -12.226 28.979 -27.241 572 HA LEU 79 HA LEU 79 -11.602 31.402 -28.750 573 HB2 LEU 79 2HB LEU 79 -14.311 30.083 -28.826 574 HB3 LEU 79 3HB LEU 79 -13.862 31.600 -29.603 575 HG LEU 79 HG LEU 79 -12.107 30.020 -30.818 576 HD11 LEU 79 1HD1 LEU 79 -12.559 27.822 -30.877 577 HD12 LEU 79 2HD1 LEU 79 -14.304 28.073 -30.842 578 HD13 LEU 79 3HD1 LEU 79 -13.375 28.134 -29.345 579 HD21 LEU 79 3HD2 LEU 79 -14.742 29.648 -32.007 580 HD22 LEU 79 1HD2 LEU 79 -13.329 30.505 -32.623 581 HD23 LEU 79 2HD2 LEU 79 -14.430 31.310 -31.505 582 H VAL 80 H VAL 80 -12.053 33.232 -27.661 583 HA VAL 80 HA VAL 80 -13.585 32.973 -25.155 584 HB VAL 80 HB VAL 80 -11.141 33.410 -24.847 585 HG11 VAL 80 1HG1 VAL 80 -10.792 34.803 -26.825 586 HG12 VAL 80 2HG1 VAL 80 -11.804 36.065 -26.118 587 HG13 VAL 80 3HG1 VAL 80 -10.272 35.632 -25.358 588 HG21 VAL 80 3HG2 VAL 80 -13.278 35.236 -23.855 589 HG22 VAL 80 1HG2 VAL 80 -12.337 34.023 -22.986 590 HG23 VAL 80 2HG2 VAL 80 -11.601 35.566 -23.421 591 H SER 81 H SER 81 -15.196 34.395 -24.762 592 HA SER 81 HA SER 81 -15.509 36.688 -26.571 593 HB2 SER 81 2HB SER 81 -18.078 35.551 -25.869 594 HB3 SER 81 3HB SER 81 -17.420 35.923 -27.463 595 HG SER 81 HG SER 81 -17.691 33.534 -26.253 596 HA PRO 82 HA PRO 82 -16.551 39.044 -23.022 597 HB2 PRO 82 2HB PRO 82 -18.499 40.688 -23.956 598 HB3 PRO 82 3HB PRO 82 -16.800 40.856 -24.413 599 HG2 PRO 82 2HG PRO 82 -19.045 39.563 -25.912 600 HG3 PRO 82 3HG PRO 82 -17.764 40.630 -26.516 601 HD2 PRO 82 2HD PRO 82 -17.675 37.939 -26.805 602 HD3 PRO 82 3HD PRO 82 -16.214 38.927 -26.606 603 H LYS 83 H LYS 83 -17.448 37.670 -21.522 604 HA LYS 83 HA LYS 83 -19.069 36.383 -20.480 605 HB2 LYS 83 2HB LYS 83 -20.835 37.828 -19.559 606 HB3 LYS 83 3HB LYS 83 -19.251 38.586 -19.459 607 HG2 LYS 83 2HG LYS 83 -20.952 39.182 -21.821 608 HG3 LYS 83 3HG LYS 83 -21.367 39.918 -20.272 609 HD2 LYS 83 2HD LYS 83 -18.521 40.050 -21.031 610 HD3 LYS 83 3HD LYS 83 -19.626 40.992 -22.035 611 HE2 LYS 83 2HE LYS 83 -20.429 41.465 -19.402 612 HE3 LYS 83 3HE LYS 83 -18.667 41.511 -19.363 613 HZ1 LYS 83 3HZ LYS 83 -18.820 43.563 -20.150 614 HZ2 LYS 83 1HZ LYS 83 -20.485 43.422 -20.412 615 HZ3 LYS 83 2HZ LYS 83 -19.396 42.927 -21.607 616 H ALA 84 H ALA 84 -19.248 35.516 -22.955 617 HA ALA 84 HA ALA 84 -22.014 35.832 -23.867 618 HB1 ALA 84 1HB ALA 84 -20.141 36.057 -25.494 619 HB2 ALA 84 2HB ALA 84 -19.769 34.353 -25.229 620 HB3 ALA 84 3HB ALA 84 -21.322 34.820 -25.923 621 H ALA 85 H ALA 85 -22.195 34.566 -21.599 622 HA ALA 85 HA ALA 85 -22.873 31.838 -22.369 623 HB1 ALA 85 1HB ALA 85 -21.432 30.753 -21.043 624 HB2 ALA 85 2HB ALA 85 -20.508 32.256 -21.070 625 HB3 ALA 85 3HB ALA 85 -21.609 31.922 -19.734 626 H LEU 86 H LEU 86 -23.755 30.782 -20.095 627 HA LEU 86 HA LEU 86 -25.606 32.759 -18.943 628 HB2 LEU 86 2HB LEU 86 -26.373 30.851 -20.716 629 HB3 LEU 86 3HB LEU 86 -26.604 30.005 -19.187 630 HG LEU 86 HG LEU 86 -27.884 32.284 -18.610 631 HD11 LEU 86 1HD1 LEU 86 -29.227 32.357 -21.021 632 HD12 LEU 86 2HD1 LEU 86 -27.527 32.315 -21.488 633 HD13 LEU 86 3HD1 LEU 86 -28.112 33.578 -20.406 634 HD21 LEU 86 3HD2 LEU 86 -29.303 30.225 -20.257 635 HD22 LEU 86 1HD2 LEU 86 -29.856 31.078 -18.816 636 HD23 LEU 86 2HD2 LEU 86 -28.633 29.813 -18.678 637 H ASN 87 H ASN 87 -26.776 31.691 -16.973 638 HA ASN 87 HA ASN 87 -25.161 29.808 -15.495 639 HB2 ASN 87 2HB ASN 87 -24.567 32.524 -15.219 640 HB3 ASN 87 3HB ASN 87 -25.548 32.139 -13.808 641 HD21 ASN 87 1HD2 ASN 87 -24.429 31.533 -12.117 642 HD22 ASN 87 2HD2 ASN 87 -22.913 30.704 -12.135 643 H ASP 88 H ASP 88 -26.233 28.914 -13.722 644 HA ASP 88 HA ASP 88 -28.881 29.919 -13.039 645 HB2 ASP 88 2HB ASP 88 -28.628 27.011 -13.749 646 HB3 ASP 88 3HB ASP 88 -30.081 27.999 -13.624 647 H GLU 89 H GLU 89 -29.858 28.525 -11.246 648 HA GLU 89 HA GLU 89 -27.865 28.258 -9.185 649 HB2 GLU 89 2HB GLU 89 -29.820 27.720 -7.732 650 HB3 GLU 89 3HB GLU 89 -29.967 29.252 -8.581 651 HG2 GLU 89 2HG GLU 89 -31.660 28.512 -9.921 652 HG3 GLU 89 3HG GLU 89 -31.147 26.829 -9.828 Start of MODEL 15 1 H SER 1 H SER 1 4.568 4.185 -1.320 2 HA SER 1 HA SER 1 3.915 1.737 -2.721 3 HB2 SER 1 2HB SER 1 2.704 1.278 -0.713 4 HB3 SER 1 3HB SER 1 2.085 2.928 -0.632 5 HG SER 1 HG SER 1 0.921 0.876 -1.740 6 HA PRO 2 HA PRO 2 3.059 5.732 -4.962 7 HB2 PRO 2 2HB PRO 2 4.489 5.080 -7.176 8 HB3 PRO 2 3HB PRO 2 5.209 5.860 -5.763 9 HG2 PRO 2 2HG PRO 2 5.228 2.971 -6.548 10 HG3 PRO 2 3HG PRO 2 6.550 3.966 -5.908 11 HD2 PRO 2 2HD PRO 2 5.137 2.250 -4.361 12 HD3 PRO 2 3HD PRO 2 5.815 3.766 -3.732 13 H LYS 3 H LYS 3 1.704 6.030 -6.760 14 HA LYS 3 HA LYS 3 0.343 3.582 -7.658 15 HB2 LYS 3 2HB LYS 3 -1.166 5.038 -6.505 16 HB3 LYS 3 3HB LYS 3 -0.614 6.435 -7.421 17 HG2 LYS 3 2HG LYS 3 -1.562 5.444 -9.463 18 HG3 LYS 3 3HG LYS 3 -2.165 4.091 -8.503 19 HD2 LYS 3 2HD LYS 3 -3.578 5.570 -7.224 20 HD3 LYS 3 3HD LYS 3 -2.895 6.981 -8.036 21 HE2 LYS 3 2HE LYS 3 -3.815 6.226 -10.157 22 HE3 LYS 3 3HE LYS 3 -4.447 4.773 -9.385 23 HZ1 LYS 3 3HZ LYS 3 -5.436 7.513 -9.279 24 HZ2 LYS 3 1HZ LYS 3 -5.569 6.603 -7.859 25 HZ3 LYS 3 2HZ LYS 3 -6.291 6.053 -9.286 26 H THR 4 H THR 4 1.295 2.960 -9.512 27 HA THR 4 HA THR 4 1.672 4.992 -11.613 28 HB THR 4 HB THR 4 3.042 2.718 -12.443 29 HG1 THR 4 HG1 THR 4 2.880 1.894 -10.292 30 HG21 THR 4 3HG2 THR 4 3.591 5.265 -12.433 31 HG22 THR 4 1HG2 THR 4 4.909 4.093 -12.409 32 HG23 THR 4 2HG2 THR 4 4.417 4.897 -10.919 33 H ILE 5 H ILE 5 0.215 4.927 -13.182 34 HA ILE 5 HA ILE 5 -1.551 2.695 -13.521 35 HB ILE 5 HB ILE 5 -2.570 3.988 -15.316 36 HG12 ILE 5 2HG1 ILE 5 -1.389 6.458 -15.336 37 HG13 ILE 5 3HG1 ILE 5 0.010 5.398 -15.206 38 HG21 ILE 5 1HG2 ILE 5 -2.075 5.091 -12.642 39 HG22 ILE 5 2HG2 ILE 5 -2.676 6.252 -13.825 40 HG23 ILE 5 3HG2 ILE 5 -3.595 4.786 -13.482 41 HD11 ILE 5 3HD1 ILE 5 -1.764 4.369 -17.187 42 HD12 ILE 5 1HD1 ILE 5 -1.450 6.075 -17.506 43 HD13 ILE 5 2HD1 ILE 5 -0.105 4.942 -17.362 44 H LEU 6 H LEU 6 -1.921 1.653 -15.629 45 HA LEU 6 HA LEU 6 0.585 1.312 -17.140 46 HB2 LEU 6 2HB LEU 6 -0.859 -0.602 -15.646 47 HB3 LEU 6 3HB LEU 6 -1.088 -0.995 -17.349 48 HG LEU 6 HG LEU 6 0.780 -2.231 -16.359 49 HD11 LEU 6 1HD1 LEU 6 1.904 -0.206 -18.269 50 HD12 LEU 6 2HD1 LEU 6 0.729 -1.420 -18.775 51 HD13 LEU 6 3HD1 LEU 6 2.290 -1.921 -18.123 52 HD21 LEU 6 3HD2 LEU 6 1.511 -0.708 -14.661 53 HD22 LEU 6 1HD2 LEU 6 1.912 0.518 -15.863 54 HD23 LEU 6 2HD2 LEU 6 2.851 -0.973 -15.778 55 H GLY 7 H GLY 7 -2.925 1.417 -17.219 56 HA2 GLY 7 2HA GLY 7 -2.785 1.592 -20.166 57 HA3 GLY 7 3HA GLY 7 -4.158 0.926 -19.295 58 H ILE 8 H ILE 8 -3.794 3.243 -21.214 59 HA ILE 8 HA ILE 8 -5.179 5.238 -19.548 60 HB ILE 8 HB ILE 8 -2.966 6.106 -20.010 61 HG12 ILE 8 2HG1 ILE 8 -5.065 7.416 -21.753 62 HG13 ILE 8 3HG1 ILE 8 -4.838 7.692 -20.029 63 HG21 ILE 8 1HG2 ILE 8 -2.079 6.383 -22.213 64 HG22 ILE 8 2HG2 ILE 8 -2.574 4.701 -22.032 65 HG23 ILE 8 3HG2 ILE 8 -3.583 5.822 -22.944 66 HD11 ILE 8 3HD1 ILE 8 -3.602 9.429 -20.661 67 HD12 ILE 8 1HD1 ILE 8 -2.359 8.237 -21.040 68 HD13 ILE 8 2HD1 ILE 8 -3.432 8.826 -22.309 69 H GLU 9 H GLU 9 -6.991 6.143 -20.398 70 HA GLU 9 HA GLU 9 -7.703 5.410 -23.160 71 HB2 GLU 9 2HB GLU 9 -9.016 4.647 -20.720 72 HB3 GLU 9 3HB GLU 9 -10.092 5.659 -21.673 73 HG2 GLU 9 2HG GLU 9 -9.459 4.108 -23.629 74 HG3 GLU 9 3HG GLU 9 -8.888 3.014 -22.370 75 H VAL 10 H VAL 10 -8.224 7.085 -24.397 76 HA VAL 10 HA VAL 10 -8.327 9.733 -23.306 77 HB VAL 10 HB VAL 10 -7.291 9.422 -25.459 78 HG11 VAL 10 1HG1 VAL 10 -8.074 7.972 -26.944 79 HG12 VAL 10 2HG1 VAL 10 -9.494 7.703 -25.932 80 HG13 VAL 10 3HG1 VAL 10 -9.516 8.962 -27.166 81 HG21 VAL 10 3HG2 VAL 10 -9.108 11.382 -24.874 82 HG22 VAL 10 1HG2 VAL 10 -8.007 11.392 -26.252 83 HG23 VAL 10 2HG2 VAL 10 -9.663 10.817 -26.450 84 H SER 11 H SER 11 -10.062 10.700 -22.508 85 HA SER 11 HA SER 11 -12.697 10.062 -23.639 86 HB2 SER 11 2HB SER 11 -12.197 8.901 -21.391 87 HB3 SER 11 3HB SER 11 -12.327 10.511 -20.683 88 HG SER 11 HG SER 11 -14.352 9.733 -20.583 89 H GLN 12 H GLN 12 -10.673 12.323 -23.778 90 HA GLN 12 HA GLN 12 -12.143 14.529 -22.581 91 HB2 GLN 12 2HB GLN 12 -10.296 15.922 -23.497 92 HB3 GLN 12 3HB GLN 12 -9.743 14.643 -22.424 93 HG2 GLN 12 2HG GLN 12 -9.700 13.516 -24.969 94 HG3 GLN 12 3HG GLN 12 -9.076 15.151 -25.177 95 HE21 GLN 12 1HE2 GLN 12 -8.725 12.261 -23.172 96 HE22 GLN 12 2HE2 GLN 12 -7.032 12.448 -22.889 97 H GLU 13 H GLU 13 -13.486 15.858 -23.640 98 HA GLU 13 HA GLU 13 -13.841 15.406 -26.523 99 HB2 GLU 13 2HB GLU 13 -15.755 16.536 -24.474 100 HB3 GLU 13 3HB GLU 13 -16.099 16.386 -26.192 101 HG2 GLU 13 2HG GLU 13 -15.480 13.866 -25.752 102 HG3 GLU 13 3HG GLU 13 -15.926 14.287 -24.099 103 HA PRO 14 HA PRO 14 -12.510 19.467 -27.523 104 HB2 PRO 14 2HB PRO 14 -14.085 20.018 -29.664 105 HB3 PRO 14 3HB PRO 14 -12.744 18.868 -29.729 106 HG2 PRO 14 2HG PRO 14 -15.674 18.344 -29.411 107 HG3 PRO 14 3HG PRO 14 -14.489 17.495 -30.420 108 HD2 PRO 14 2HD PRO 14 -15.325 16.532 -28.031 109 HD3 PRO 14 3HD PRO 14 -13.685 16.255 -28.651 110 H LYS 15 H LYS 15 -12.920 21.403 -26.666 111 HA LYS 15 HA LYS 15 -15.448 22.691 -26.814 112 HB2 LYS 15 2HB LYS 15 -14.808 21.128 -24.400 113 HB3 LYS 15 3HB LYS 15 -15.332 22.778 -24.090 114 HG2 LYS 15 2HG LYS 15 -17.053 21.578 -26.035 115 HG3 LYS 15 3HG LYS 15 -16.924 20.530 -24.620 116 HD2 LYS 15 2HD LYS 15 -17.301 22.729 -23.285 117 HD3 LYS 15 3HD LYS 15 -17.935 23.342 -24.814 118 HE2 LYS 15 2HE LYS 15 -19.824 22.154 -24.629 119 HE3 LYS 15 3HE LYS 15 -18.966 20.706 -24.105 120 HZ1 LYS 15 3HZ LYS 15 -19.413 21.139 -21.981 121 HZ2 LYS 15 1HZ LYS 15 -20.553 22.255 -22.544 122 HZ3 LYS 15 2HZ LYS 15 -19.001 22.774 -22.117 123 H LYS 16 H LYS 16 -13.210 22.864 -24.088 124 HA LYS 16 HA LYS 16 -12.053 24.658 -23.255 125 HB2 LYS 16 2HB LYS 16 -10.728 23.620 -25.308 126 HB3 LYS 16 3HB LYS 16 -11.030 25.207 -26.003 127 HG2 LYS 16 2HG LYS 16 -9.161 25.835 -24.974 128 HG3 LYS 16 3HG LYS 16 -10.114 25.814 -23.488 129 HD2 LYS 16 2HD LYS 16 -8.103 24.546 -23.133 130 HD3 LYS 16 3HD LYS 16 -9.471 23.432 -23.178 131 HE2 LYS 16 2HE LYS 16 -8.923 22.693 -25.351 132 HE3 LYS 16 3HE LYS 16 -7.799 24.028 -25.605 133 HZ1 LYS 16 3HZ LYS 16 -7.000 22.573 -23.337 134 HZ2 LYS 16 1HZ LYS 16 -6.173 22.787 -24.798 135 HZ3 LYS 16 2HZ LYS 16 -7.239 21.487 -24.613 136 H ASP 17 H ASP 17 -14.324 25.693 -23.208 137 HA ASP 17 HA ASP 17 -14.175 28.236 -24.687 138 HB2 ASP 17 2HB ASP 17 -15.985 27.066 -25.688 139 HB3 ASP 17 3HB ASP 17 -16.589 26.517 -24.127 140 H TYR 18 H TYR 18 -13.940 29.913 -23.380 141 HA TYR 18 HA TYR 18 -15.369 30.002 -20.844 142 HB2 TYR 18 2HB TYR 18 -12.671 29.261 -20.924 143 HB3 TYR 18 3HB TYR 18 -12.663 30.953 -20.438 144 HD1 TYR 18 HD1 TYR 18 -13.976 27.603 -19.567 145 HD2 TYR 18 HD2 TYR 18 -13.328 31.600 -18.259 146 HE1 TYR 18 HE1 TYR 18 -14.548 26.938 -17.270 147 HE2 TYR 18 HE2 TYR 18 -13.897 30.945 -15.958 148 HH TYR 18 HH TYR 18 -15.124 27.743 -15.209 149 H LEU 19 H LEU 19 -15.520 32.127 -19.945 150 HA LEU 19 HA LEU 19 -15.586 34.173 -21.974 151 HB2 LEU 19 2HB LEU 19 -16.602 35.558 -20.233 152 HB3 LEU 19 3HB LEU 19 -17.411 34.001 -20.401 153 HG LEU 19 HG LEU 19 -15.415 33.800 -18.364 154 HD11 LEU 19 1HD1 LEU 19 -17.434 35.797 -17.521 155 HD12 LEU 19 2HD1 LEU 19 -16.055 36.376 -18.454 156 HD13 LEU 19 3HD1 LEU 19 -15.794 35.521 -16.934 157 HD21 LEU 19 3HD2 LEU 19 -17.090 32.314 -18.056 158 HD22 LEU 19 1HD2 LEU 19 -18.316 33.389 -18.726 159 HD23 LEU 19 2HD2 LEU 19 -17.757 33.615 -17.069 160 H VAL 20 H VAL 20 -14.507 36.175 -21.896 161 HA VAL 20 HA VAL 20 -11.805 36.123 -21.318 162 HB VAL 20 HB VAL 20 -11.888 38.623 -21.443 163 HG11 VAL 20 1HG1 VAL 20 -12.769 38.670 -23.796 164 HG12 VAL 20 2HG1 VAL 20 -11.570 37.416 -23.469 165 HG13 VAL 20 3HG1 VAL 20 -13.282 36.999 -23.562 166 HG21 VAL 20 3HG2 VAL 20 -14.591 38.845 -22.366 167 HG22 VAL 20 1HG2 VAL 20 -14.574 38.209 -20.721 168 HG23 VAL 20 2HG2 VAL 20 -13.776 39.739 -21.084 169 H GLY 21 H GLY 21 -10.525 36.769 -19.626 170 HA2 GLY 21 2HA GLY 21 -10.283 38.042 -17.551 171 HA3 GLY 21 3HA GLY 21 -11.926 37.565 -17.150 172 H ASP 22 H ASP 22 -11.147 34.817 -18.319 173 HA ASP 22 HA ASP 22 -10.013 33.812 -15.806 174 HB2 ASP 22 2HB ASP 22 -12.202 32.980 -17.336 175 HB3 ASP 22 3HB ASP 22 -10.962 31.760 -17.619 176 H SER 23 H SER 23 -9.839 33.070 -19.292 177 HA SER 23 HA SER 23 -8.114 32.405 -20.619 178 HB2 SER 23 2HB SER 23 -6.980 34.251 -18.821 179 HB3 SER 23 3HB SER 23 -5.860 32.890 -18.881 180 HG SER 23 HG SER 23 -6.809 34.466 -21.035 181 H LEU 24 H LEU 24 -7.979 30.285 -20.901 182 HA LEU 24 HA LEU 24 -7.453 28.092 -20.608 183 HB2 LEU 24 2HB LEU 24 -5.419 29.565 -19.156 184 HB3 LEU 24 3HB LEU 24 -5.712 27.974 -18.455 185 HG LEU 24 HG LEU 24 -5.425 27.844 -21.337 186 HD11 LEU 24 1HD1 LEU 24 -3.009 28.334 -21.373 187 HD12 LEU 24 2HD1 LEU 24 -3.140 28.992 -19.743 188 HD13 LEU 24 3HD1 LEU 24 -3.993 29.768 -21.078 189 HD21 LEU 24 3HD2 LEU 24 -5.141 26.159 -19.252 190 HD22 LEU 24 1HD2 LEU 24 -3.457 26.601 -19.533 191 HD23 LEU 24 2HD2 LEU 24 -4.412 25.894 -20.836 192 H ASP 25 H ASP 25 -9.279 27.151 -19.883 193 HA ASP 25 HA ASP 25 -9.424 26.220 -17.230 194 HB2 ASP 25 2HB ASP 25 -10.102 28.626 -16.889 195 HB3 ASP 25 3HB ASP 25 -11.522 28.295 -17.877 196 H LEU 26 H LEU 26 -9.527 24.494 -18.953 197 HA LEU 26 HA LEU 26 -12.202 24.133 -20.077 198 HB2 LEU 26 2HB LEU 26 -10.808 23.569 -21.764 199 HB3 LEU 26 3HB LEU 26 -9.502 23.110 -20.672 200 HG LEU 26 HG LEU 26 -11.872 21.320 -20.849 201 HD11 LEU 26 1HD1 LEU 26 -11.220 20.300 -22.848 202 HD12 LEU 26 2HD1 LEU 26 -9.674 21.147 -22.884 203 HD13 LEU 26 3HD1 LEU 26 -11.169 22.027 -23.201 204 HD21 LEU 26 3HD2 LEU 26 -9.109 20.316 -20.948 205 HD22 LEU 26 1HD2 LEU 26 -10.476 19.794 -19.963 206 HD23 LEU 26 2HD2 LEU 26 -9.538 21.211 -19.489 207 H SER 27 H SER 27 -13.561 22.490 -19.513 208 HA SER 27 HA SER 27 -12.675 20.692 -17.357 209 HB2 SER 27 2HB SER 27 -14.763 22.693 -17.278 210 HB3 SER 27 3HB SER 27 -15.431 21.086 -16.993 211 HG SER 27 HG SER 27 -14.170 22.588 -15.271 212 H GLU 28 H GLU 28 -13.706 20.880 -20.446 213 HA GLU 28 HA GLU 28 -15.375 18.475 -20.344 214 HB2 GLU 28 2HB GLU 28 -14.977 20.670 -22.310 215 HB3 GLU 28 3HB GLU 28 -15.386 19.084 -22.947 216 HG2 GLU 28 2HG GLU 28 -17.049 19.978 -20.704 217 HG3 GLU 28 3HG GLU 28 -17.187 20.946 -22.170 218 H GLY 29 H GLY 29 -12.172 19.394 -20.827 219 HA2 GLY 29 2HA GLY 29 -11.598 17.052 -22.514 220 HA3 GLY 29 3HA GLY 29 -10.514 18.410 -22.254 221 H ARG 30 H ARG 30 -11.877 15.512 -20.804 222 HA ARG 30 HA ARG 30 -9.562 15.433 -18.987 223 HB2 ARG 30 2HB ARG 30 -10.934 14.449 -17.257 224 HB3 ARG 30 3HB ARG 30 -11.651 15.973 -17.765 225 HG2 ARG 30 2HG ARG 30 -12.777 13.926 -19.362 226 HG3 ARG 30 3HG ARG 30 -12.825 13.391 -17.681 227 HD2 ARG 30 2HD ARG 30 -13.793 15.668 -17.132 228 HD3 ARG 30 3HD ARG 30 -13.989 15.897 -18.869 229 HE ARG 30 HE ARG 30 -15.156 13.452 -18.083 230 HH11 ARG 30 1HH1 ARG 30 -15.650 16.892 -17.881 231 HH12 ARG 30 2HH1 ARG 30 -17.375 16.770 -17.775 232 HH21 ARG 30 1HH2 ARG 30 -17.427 13.278 -17.945 233 HH22 ARG 30 2HH2 ARG 30 -18.384 14.714 -17.811 234 H PHE 31 H PHE 31 -8.790 13.330 -18.437 235 HA PHE 31 HA PHE 31 -9.614 11.236 -20.340 236 HB2 PHE 31 2HB PHE 31 -7.073 10.521 -19.810 237 HB3 PHE 31 3HB PHE 31 -7.514 11.579 -21.146 238 HD1 PHE 31 HD2 PHE 31 -6.461 11.648 -17.583 239 HD2 PHE 31 HD1 PHE 31 -6.578 13.691 -21.315 240 HE1 PHE 31 HE2 PHE 31 -5.010 13.407 -16.661 241 HE2 PHE 31 HE1 PHE 31 -5.126 15.454 -20.399 242 HZ PHE 31 HZ PHE 31 -4.341 15.314 -18.069 243 H ALA 32 H ALA 32 -9.584 9.087 -19.613 244 HA ALA 32 HA ALA 32 -9.647 8.821 -16.682 245 HB1 ALA 32 1HB ALA 32 -11.762 8.229 -17.361 246 HB2 ALA 32 2HB ALA 32 -11.195 7.516 -18.872 247 HB3 ALA 32 3HB ALA 32 -10.956 6.660 -17.349 248 H VAL 33 H VAL 33 -7.997 7.787 -15.791 249 HA VAL 33 HA VAL 33 -6.472 5.874 -17.428 250 HB VAL 33 HB VAL 33 -5.280 7.896 -16.465 251 HG11 VAL 33 1HG1 VAL 33 -5.065 8.239 -14.245 252 HG12 VAL 33 2HG1 VAL 33 -6.565 7.313 -14.171 253 HG13 VAL 33 3HG1 VAL 33 -5.020 6.516 -13.873 254 HG21 VAL 33 3HG2 VAL 33 -3.282 6.651 -15.946 255 HG22 VAL 33 1HG2 VAL 33 -4.230 5.205 -15.599 256 HG23 VAL 33 2HG2 VAL 33 -4.148 5.832 -17.246 257 H ALA 34 H ALA 34 -6.094 3.820 -16.716 258 HA ALA 34 HA ALA 34 -7.649 2.967 -14.376 259 HB1 ALA 34 1HB ALA 34 -8.151 1.067 -15.464 260 HB2 ALA 34 2HB ALA 34 -7.688 1.981 -16.900 261 HB3 ALA 34 3HB ALA 34 -6.528 0.898 -16.132 262 H TYR 35 H TYR 35 -6.718 2.009 -12.650 263 HA TYR 35 HA TYR 35 -3.793 1.935 -12.597 264 HB2 TYR 35 2HB TYR 35 -5.056 3.204 -10.842 265 HB3 TYR 35 3HB TYR 35 -5.719 1.673 -10.281 266 HD1 TYR 35 HD1 TYR 35 -2.249 2.276 -11.440 267 HD2 TYR 35 HD2 TYR 35 -4.802 1.570 -8.111 268 HE1 TYR 35 HE1 TYR 35 -0.278 1.956 -10.004 269 HE2 TYR 35 HE2 TYR 35 -2.838 1.249 -6.665 270 HH TYR 35 HH TYR 35 -0.517 0.705 -6.808 271 H SER 36 H SER 36 -2.631 0.127 -11.950 272 HA SER 36 HA SER 36 -3.608 -2.367 -12.778 273 HB2 SER 36 2HB SER 36 -1.515 -3.091 -11.231 274 HB3 SER 36 3HB SER 36 -1.331 -2.421 -12.851 275 HG SER 36 HG SER 36 -1.248 -0.961 -10.416 276 H ASN 37 H ASN 37 -4.002 -0.686 -9.838 277 HA ASN 37 HA ASN 37 -4.603 -3.099 -8.312 278 HB2 ASN 37 2HB ASN 37 -3.332 -1.020 -7.416 279 HB3 ASN 37 3HB ASN 37 -4.931 -0.292 -7.286 280 HD21 ASN 37 1HD2 ASN 37 -3.612 -3.523 -6.631 281 HD22 ASN 37 2HD2 ASN 37 -4.208 -3.622 -5.013 282 H ASP 38 H ASP 38 -6.246 -2.103 -10.608 283 HA ASP 38 HA ASP 38 -8.443 -1.996 -11.186 284 HB2 ASP 38 2HB ASP 38 -8.531 -3.994 -9.649 285 HB3 ASP 38 3HB ASP 38 -9.032 -2.898 -8.364 286 H THR 39 H THR 39 -7.868 0.379 -11.097 287 HA THR 39 HA THR 39 -9.913 1.740 -9.536 288 HB THR 39 HB THR 39 -7.440 3.278 -9.459 289 HG1 THR 39 HG1 THR 39 -7.559 0.853 -7.962 290 HG21 THR 39 3HG2 THR 39 -8.121 3.668 -7.176 291 HG22 THR 39 1HG2 THR 39 -9.273 2.335 -7.253 292 HG23 THR 39 2HG2 THR 39 -9.535 3.785 -8.223 293 H MET 40 H MET 40 -10.284 3.956 -10.265 294 HA MET 40 HA MET 40 -9.152 4.607 -12.884 295 HB2 MET 40 2HB MET 40 -11.966 3.896 -12.316 296 HB3 MET 40 3HB MET 40 -11.725 5.315 -13.326 297 HG2 MET 40 2HG MET 40 -11.271 4.059 -15.087 298 HG3 MET 40 3HG MET 40 -10.022 3.185 -14.204 299 HE1 MET 40 3HE MET 40 -13.114 3.305 -15.902 300 HE2 MET 40 1HE MET 40 -12.522 1.752 -16.495 301 HE3 MET 40 2HE MET 40 -14.018 1.828 -15.565 302 H GLU 41 H GLU 41 -8.835 6.746 -13.201 303 HA GLU 41 HA GLU 41 -10.085 8.628 -11.321 304 HB2 GLU 41 2HB GLU 41 -7.280 7.962 -11.533 305 HB3 GLU 41 3HB GLU 41 -7.542 9.664 -11.886 306 HG2 GLU 41 2HG GLU 41 -8.791 8.438 -9.470 307 HG3 GLU 41 3HG GLU 41 -7.088 8.895 -9.452 308 H GLU 42 H GLU 42 -10.832 10.462 -12.217 309 HA GLU 42 HA GLU 42 -10.143 10.972 -15.037 310 HB2 GLU 42 2HB GLU 42 -12.394 11.851 -15.354 311 HB3 GLU 42 3HB GLU 42 -12.457 10.194 -14.769 312 HG2 GLU 42 2HG GLU 42 -12.874 11.049 -12.493 313 HG3 GLU 42 3HG GLU 42 -12.906 12.686 -13.144 314 H HIS 43 H HIS 43 -9.506 12.979 -15.600 315 HA HIS 43 HA HIS 43 -9.996 15.247 -13.869 316 HB2 HIS 43 2HB HIS 43 -7.533 13.787 -13.713 317 HB3 HIS 43 3HB HIS 43 -7.212 15.384 -14.382 318 HD1 HIS 43 HD1 HIS 43 -6.418 14.305 -11.469 319 HD2 HIS 43 HD2 HIS 43 -9.540 16.878 -12.412 320 HE1 HIS 43 HE1 HIS 43 -6.898 15.581 -9.356 321 H SER 44 H SER 44 -9.916 17.181 -14.940 322 HA SER 44 HA SER 44 -9.395 17.012 -17.829 323 HB2 SER 44 2HB SER 44 -11.049 18.610 -18.186 324 HB3 SER 44 3HB SER 44 -11.700 17.721 -16.809 325 HG SER 44 HG SER 44 -10.455 20.253 -16.853 326 H PHE 45 H PHE 45 -7.666 18.000 -18.614 327 HA PHE 45 HA PHE 45 -5.708 19.187 -18.640 328 HB2 PHE 45 2HB PHE 45 -7.591 20.840 -19.209 329 HB3 PHE 45 3HB PHE 45 -7.371 21.462 -17.577 330 HD1 PHE 45 HD1 PHE 45 -5.520 20.777 -20.724 331 HD2 PHE 45 HD2 PHE 45 -5.765 23.078 -17.152 332 HE1 PHE 45 HE1 PHE 45 -3.684 22.207 -21.523 333 HE2 PHE 45 HE2 PHE 45 -3.930 24.512 -17.945 334 HZ PHE 45 HZ PHE 45 -2.887 24.078 -20.134 335 H THR 46 H THR 46 -6.042 17.731 -16.242 336 HA THR 46 HA THR 46 -4.967 19.543 -14.192 337 HB THR 46 HB THR 46 -5.573 16.747 -13.448 338 HG1 THR 46 HG1 THR 46 -7.329 17.313 -14.867 339 HG21 THR 46 3HG2 THR 46 -5.236 17.846 -11.517 340 HG22 THR 46 1HG2 THR 46 -6.886 18.428 -11.731 341 HG23 THR 46 2HG2 THR 46 -5.526 19.421 -12.256 342 H ASP 47 H ASP 47 -4.484 16.153 -15.205 343 HA ASP 47 HA ASP 47 -2.003 15.757 -14.063 344 HB2 ASP 47 2HB ASP 47 -3.101 13.860 -14.944 345 HB3 ASP 47 3HB ASP 47 -3.265 14.593 -16.537 346 H GLU 48 H GLU 48 0.113 16.037 -14.699 347 HA GLU 48 HA GLU 48 0.527 18.097 -16.729 348 HB2 GLU 48 2HB GLU 48 2.119 17.084 -14.406 349 HB3 GLU 48 3HB GLU 48 2.943 17.919 -15.715 350 HG2 GLU 48 2HG GLU 48 2.478 19.542 -14.077 351 HG3 GLU 48 3HG GLU 48 1.327 19.813 -15.384 352 H GLY 49 H GLY 49 -0.086 15.385 -17.536 353 HA2 GLY 49 2HA GLY 49 2.464 14.379 -18.568 354 HA3 GLY 49 3HA GLY 49 0.922 13.537 -18.618 355 H VAL 50 H VAL 50 -0.553 15.793 -19.686 356 HA VAL 50 HA VAL 50 0.298 15.528 -22.471 357 HB VAL 50 HB VAL 50 -1.920 16.346 -23.065 358 HG11 VAL 50 1HG1 VAL 50 -3.182 14.513 -21.518 359 HG12 VAL 50 2HG1 VAL 50 -2.220 14.119 -22.944 360 HG13 VAL 50 3HG1 VAL 50 -1.503 14.006 -21.336 361 HG21 VAL 50 3HG2 VAL 50 -1.896 17.312 -20.366 362 HG22 VAL 50 1HG2 VAL 50 -3.023 17.680 -21.672 363 HG23 VAL 50 2HG2 VAL 50 -3.312 16.292 -20.622 364 H GLU 51 H GLU 51 0.719 17.257 -23.806 365 HA GLU 51 HA GLU 51 0.803 19.915 -22.544 366 HB2 GLU 51 2HB GLU 51 2.928 18.589 -24.228 367 HB3 GLU 51 3HB GLU 51 2.901 20.316 -23.901 368 HG2 GLU 51 2HG GLU 51 2.656 19.157 -21.401 369 HG3 GLU 51 3HG GLU 51 3.813 18.129 -22.245 370 H ILE 52 H ILE 52 -0.344 21.362 -23.626 371 HA ILE 52 HA ILE 52 -1.030 20.818 -26.427 372 HB ILE 52 HB ILE 52 -2.334 22.493 -24.301 373 HG12 ILE 52 2HG1 ILE 52 -4.336 21.158 -25.140 374 HG13 ILE 52 3HG1 ILE 52 -3.188 20.202 -26.071 375 HG21 ILE 52 1HG2 ILE 52 -2.515 24.008 -26.027 376 HG22 ILE 52 2HG2 ILE 52 -2.555 22.754 -27.265 377 HG23 ILE 52 3HG2 ILE 52 -3.971 23.041 -26.255 378 HD11 ILE 52 3HD1 ILE 52 -2.954 20.550 -23.102 379 HD12 ILE 52 1HD1 ILE 52 -3.911 19.266 -23.840 380 HD13 ILE 52 2HD1 ILE 52 -2.174 19.351 -24.132 381 H SER 53 H SER 53 -0.584 22.233 -28.055 382 HA SER 53 HA SER 53 0.744 24.760 -27.377 383 HB2 SER 53 2HB SER 53 1.975 22.438 -28.638 384 HB3 SER 53 3HB SER 53 2.104 23.885 -29.638 385 HG SER 53 HG SER 53 3.364 24.799 -28.185 386 H GLY 54 H GLY 54 0.781 26.310 -29.137 387 HA2 GLY 54 2HA GLY 54 0.081 26.992 -31.333 388 HA3 GLY 54 3HA GLY 54 -1.151 25.739 -31.285 389 H TYR 55 H TYR 55 -1.725 26.594 -28.420 390 HA TYR 55 HA TYR 55 -3.716 28.575 -29.139 391 HB2 TYR 55 2HB TYR 55 -4.789 27.170 -27.721 392 HB3 TYR 55 3HB TYR 55 -3.300 26.664 -26.931 393 HD1 TYR 55 HD1 TYR 55 -2.395 27.946 -25.044 394 HD2 TYR 55 HD2 TYR 55 -6.092 29.005 -26.865 395 HE1 TYR 55 HE1 TYR 55 -2.944 29.348 -23.099 396 HE2 TYR 55 HE2 TYR 55 -6.651 30.411 -24.925 397 HH TYR 55 HH TYR 55 -5.733 31.454 -23.082 398 H ASP 56 H ASP 56 -3.848 30.645 -28.367 399 HA ASP 56 HA ASP 56 -1.378 31.732 -27.243 400 HB2 ASP 56 2HB ASP 56 -3.572 32.786 -28.920 401 HB3 ASP 56 3HB ASP 56 -2.908 33.915 -27.742 402 H ALA 57 H ALA 57 -1.216 32.369 -25.195 403 HA ALA 57 HA ALA 57 -3.020 31.810 -23.214 404 HB1 ALA 57 1HB ALA 57 -0.646 33.514 -23.442 405 HB2 ALA 57 2HB ALA 57 -1.754 33.966 -22.145 406 HB3 ALA 57 3HB ALA 57 -1.086 32.335 -22.206 407 H GLN 58 H GLN 58 -2.350 35.207 -24.013 408 HA GLN 58 HA GLN 58 -5.087 35.882 -23.283 409 HB2 GLN 58 2HB GLN 58 -2.925 37.132 -22.543 410 HB3 GLN 58 3HB GLN 58 -3.015 37.877 -24.133 411 HG2 GLN 58 2HG GLN 58 -4.046 39.294 -22.470 412 HG3 GLN 58 3HG GLN 58 -5.251 38.712 -23.617 413 HE21 GLN 58 1HE2 GLN 58 -7.013 38.869 -22.324 414 HE22 GLN 58 2HE2 GLN 58 -7.245 37.932 -20.891 415 H LYS 59 H LYS 59 -5.369 34.503 -25.473 416 HA LYS 59 HA LYS 59 -6.614 36.199 -27.296 417 HB2 LYS 59 2HB LYS 59 -3.797 36.049 -27.694 418 HB3 LYS 59 3HB LYS 59 -4.575 35.196 -29.021 419 HG2 LYS 59 2HG LYS 59 -5.337 37.082 -29.942 420 HG3 LYS 59 3HG LYS 59 -5.816 37.763 -28.385 421 HD2 LYS 59 2HD LYS 59 -3.974 39.012 -28.287 422 HD3 LYS 59 3HD LYS 59 -2.941 37.617 -28.611 423 HE2 LYS 59 2HE LYS 59 -3.580 37.886 -31.047 424 HE3 LYS 59 3HE LYS 59 -4.285 39.438 -30.596 425 HZ1 LYS 59 3HZ LYS 59 -1.703 39.028 -31.310 426 HZ2 LYS 59 1HZ LYS 59 -1.608 39.088 -29.622 427 HZ3 LYS 59 2HZ LYS 59 -2.286 40.380 -30.477 428 H THR 60 H THR 60 -8.163 34.967 -28.114 429 HA THR 60 HA THR 60 -7.573 32.126 -28.642 430 HB THR 60 HB THR 60 -10.274 32.129 -28.314 431 HG1 THR 60 HG1 THR 60 -9.933 34.410 -27.525 432 HG21 THR 60 3HG2 THR 60 -8.256 30.805 -27.225 433 HG22 THR 60 1HG2 THR 60 -9.867 30.778 -26.509 434 HG23 THR 60 2HG2 THR 60 -8.628 31.846 -25.851 435 H GLY 61 H GLY 61 -10.494 33.994 -29.338 436 HA2 GLY 61 2HA GLY 61 -11.679 34.167 -31.312 437 HA3 GLY 61 3HA GLY 61 -10.146 34.776 -31.919 438 H ARG 62 H ARG 62 -11.365 31.555 -30.987 439 HA ARG 62 HA ARG 62 -11.402 29.570 -32.097 440 HB2 ARG 62 2HB ARG 62 -12.530 31.142 -33.827 441 HB3 ARG 62 3HB ARG 62 -11.004 31.025 -34.693 442 HG2 ARG 62 2HG ARG 62 -11.387 28.908 -35.354 443 HG3 ARG 62 3HG ARG 62 -12.187 28.468 -33.844 444 HD2 ARG 62 2HD ARG 62 -13.785 28.394 -35.649 445 HD3 ARG 62 3HD ARG 62 -14.178 29.734 -34.573 446 HE ARG 62 HE ARG 62 -12.541 30.651 -36.676 447 HH11 ARG 62 1HH1 ARG 62 -15.780 29.539 -36.047 448 HH12 ARG 62 2HH1 ARG 62 -16.484 30.452 -37.340 449 HH21 ARG 62 1HH2 ARG 62 -13.456 31.857 -38.382 450 HH22 ARG 62 2HH2 ARG 62 -15.161 31.770 -38.668 451 H GLN 63 H GLN 63 -9.219 29.481 -31.001 452 HA GLN 63 HA GLN 63 -7.014 29.459 -32.939 453 HB2 GLN 63 2HB GLN 63 -7.200 29.874 -30.013 454 HB3 GLN 63 3HB GLN 63 -5.789 28.993 -30.582 455 HG2 GLN 63 2HG GLN 63 -6.449 31.477 -32.028 456 HG3 GLN 63 3HG GLN 63 -5.887 31.657 -30.367 457 HE21 GLN 63 1HE2 GLN 63 -5.034 29.436 -32.998 458 HE22 GLN 63 2HE2 GLN 63 -3.342 29.782 -32.972 459 H THR 64 H THR 64 -5.728 27.645 -33.237 460 HA THR 64 HA THR 64 -7.058 25.125 -32.731 461 HB THR 64 HB THR 64 -4.486 25.730 -34.202 462 HG1 THR 64 HG1 THR 64 -6.878 24.844 -35.398 463 HG21 THR 64 3HG2 THR 64 -4.186 23.510 -33.699 464 HG22 THR 64 1HG2 THR 64 -5.148 23.363 -35.169 465 HG23 THR 64 2HG2 THR 64 -5.916 23.188 -33.590 466 H LEU 65 H LEU 65 -6.222 23.393 -31.568 467 HA LEU 65 HA LEU 65 -3.823 23.888 -29.956 468 HB2 LEU 65 2HB LEU 65 -6.496 22.982 -28.903 469 HB3 LEU 65 3HB LEU 65 -4.994 22.926 -27.983 470 HG LEU 65 HG LEU 65 -5.056 25.542 -28.681 471 HD11 LEU 65 1HD1 LEU 65 -7.899 25.085 -27.941 472 HD12 LEU 65 2HD1 LEU 65 -7.428 24.901 -29.630 473 HD13 LEU 65 3HD1 LEU 65 -7.154 26.433 -28.801 474 HD21 LEU 65 3HD2 LEU 65 -4.638 25.176 -26.474 475 HD22 LEU 65 1HD2 LEU 65 -5.931 23.987 -26.310 476 HD23 LEU 65 2HD2 LEU 65 -6.316 25.708 -26.349 477 H THR 66 H THR 66 -2.556 22.132 -29.636 478 HA THR 66 HA THR 66 -3.613 19.501 -30.415 479 HB THR 66 HB THR 66 -0.867 19.563 -31.121 480 HG1 THR 66 HG1 THR 66 -0.846 21.246 -32.636 481 HG21 THR 66 3HG2 THR 66 -2.330 18.077 -32.215 482 HG22 THR 66 1HG2 THR 66 -1.881 19.256 -33.447 483 HG23 THR 66 2HG2 THR 66 -3.451 19.366 -32.650 484 H LEU 67 H LEU 67 -3.413 18.153 -28.762 485 HA LEU 67 HA LEU 67 -1.288 18.613 -26.792 486 HB2 LEU 67 2HB LEU 67 -2.632 17.703 -25.196 487 HB3 LEU 67 3HB LEU 67 -3.852 18.358 -26.286 488 HG LEU 67 HG LEU 67 -3.783 15.935 -27.304 489 HD11 LEU 67 1HD1 LEU 67 -3.542 14.658 -24.835 490 HD12 LEU 67 2HD1 LEU 67 -2.123 15.696 -24.967 491 HD13 LEU 67 3HD1 LEU 67 -2.468 14.511 -26.226 492 HD21 LEU 67 3HD2 LEU 67 -5.744 15.510 -26.187 493 HD22 LEU 67 1HD2 LEU 67 -5.588 17.248 -25.933 494 HD23 LEU 67 2HD2 LEU 67 -5.132 16.126 -24.651 495 H HIS 68 H HIS 68 0.314 17.183 -26.461 496 HA HIS 68 HA HIS 68 0.177 14.613 -27.897 497 HB2 HIS 68 2HB HIS 68 2.265 16.710 -27.897 498 HB3 HIS 68 3HB HIS 68 2.845 15.052 -27.775 499 HD1 HIS 68 HD1 HIS 68 2.949 13.733 -29.896 500 HD2 HIS 68 HD2 HIS 68 0.682 17.193 -30.291 501 HE1 HIS 68 HE1 HIS 68 2.415 13.911 -32.347 502 H TYR 69 H TYR 69 0.309 12.903 -26.614 503 HA TYR 69 HA TYR 69 1.938 13.044 -24.185 504 HB2 TYR 69 2HB TYR 69 -0.388 13.547 -23.518 505 HB3 TYR 69 3HB TYR 69 -0.911 12.024 -24.230 506 HD1 TYR 69 HD2 TYR 69 2.148 12.625 -22.214 507 HD2 TYR 69 HD1 TYR 69 -1.726 10.872 -22.351 508 HE1 TYR 69 HE2 TYR 69 2.597 11.480 -20.084 509 HE2 TYR 69 HE1 TYR 69 -1.289 9.724 -20.220 510 HH TYR 69 HH TYR 69 1.458 9.107 -18.994 511 H GLN 70 H GLN 70 3.352 11.444 -24.309 512 HA GLN 70 HA GLN 70 4.292 9.403 -24.659 513 HB2 GLN 70 2HB GLN 70 1.442 8.789 -24.174 514 HB3 GLN 70 3HB GLN 70 2.368 7.525 -24.972 515 HG2 GLN 70 2HG GLN 70 3.412 8.818 -22.491 516 HG3 GLN 70 3HG GLN 70 2.190 7.551 -22.394 517 HE21 GLN 70 1HE2 GLN 70 5.075 7.700 -21.600 518 HE22 GLN 70 2HE2 GLN 70 5.800 6.312 -22.328 519 H GLY 71 H GLY 71 1.411 8.543 -26.484 520 HA2 GLY 71 2HA GLY 71 2.871 8.975 -28.999 521 HA3 GLY 71 3HA GLY 71 2.247 7.372 -28.640 522 H HIS 72 H HIS 72 0.192 9.640 -27.335 523 HA HIS 72 HA HIS 72 -1.605 9.415 -29.653 524 HB2 HIS 72 2HB HIS 72 -1.993 8.953 -26.861 525 HB3 HIS 72 3HB HIS 72 -3.015 10.302 -27.347 526 HD1 HIS 72 HD1 HIS 72 -2.278 6.749 -28.487 527 HD2 HIS 72 HD2 HIS 72 -5.362 9.532 -28.456 528 HE1 HIS 72 HE1 HIS 72 -4.281 5.543 -29.412 529 H GLU 73 H GLU 73 -2.490 11.197 -30.577 530 HA GLU 73 HA GLU 73 -1.873 13.807 -29.365 531 HB2 GLU 73 2HB GLU 73 -1.380 14.718 -31.571 532 HB3 GLU 73 3HB GLU 73 -0.310 13.370 -31.211 533 HG2 GLU 73 2HG GLU 73 -2.542 12.281 -32.522 534 HG3 GLU 73 3HG GLU 73 -2.091 13.731 -33.416 535 H VAL 74 H VAL 74 -3.493 15.267 -29.357 536 HA VAL 74 HA VAL 74 -5.940 14.603 -30.860 537 HB VAL 74 HB VAL 74 -5.927 15.896 -28.136 538 HG11 VAL 74 1HG1 VAL 74 -7.894 16.399 -29.418 539 HG12 VAL 74 2HG1 VAL 74 -8.102 14.701 -29.848 540 HG13 VAL 74 3HG1 VAL 74 -8.320 15.221 -28.176 541 HG21 VAL 74 3HG2 VAL 74 -6.094 13.004 -28.910 542 HG22 VAL 74 1HG2 VAL 74 -5.114 13.764 -27.656 543 HG23 VAL 74 2HG2 VAL 74 -6.856 13.600 -27.436 544 H SER 75 H SER 75 -7.222 16.364 -31.549 545 HA SER 75 HA SER 75 -5.929 19.003 -31.398 546 HB2 SER 75 2HB SER 75 -5.382 18.694 -33.576 547 HB3 SER 75 3HB SER 75 -6.548 17.388 -33.785 548 HG SER 75 HG SER 75 -7.172 19.173 -35.010 549 H PHE 76 H PHE 76 -7.263 20.688 -31.038 550 HA PHE 76 HA PHE 76 -10.118 20.442 -31.507 551 HB2 PHE 76 2HB PHE 76 -10.231 21.440 -28.980 552 HB3 PHE 76 3HB PHE 76 -10.477 19.744 -29.384 553 HD1 PHE 76 HD1 PHE 76 -8.159 22.196 -27.971 554 HD2 PHE 76 HD2 PHE 76 -8.809 18.087 -28.869 555 HE1 PHE 76 HE1 PHE 76 -6.263 21.584 -26.527 556 HE2 PHE 76 HE2 PHE 76 -6.915 17.468 -27.426 557 HZ PHE 76 HZ PHE 76 -5.640 19.217 -26.252 558 H ASP 77 H ASP 77 -11.237 22.549 -30.780 559 HA ASP 77 HA ASP 77 -9.453 24.811 -31.401 560 HB2 ASP 77 2HB ASP 77 -11.661 25.865 -32.268 561 HB3 ASP 77 3HB ASP 77 -10.841 24.672 -33.271 562 H VAL 78 H VAL 78 -9.842 26.794 -30.357 563 HA VAL 78 HA VAL 78 -11.509 26.583 -27.933 564 HB VAL 78 HB VAL 78 -9.067 26.623 -27.462 565 HG11 VAL 78 1HG1 VAL 78 -7.736 28.540 -27.903 566 HG12 VAL 78 2HG1 VAL 78 -8.523 28.105 -29.421 567 HG13 VAL 78 3HG1 VAL 78 -9.130 29.459 -28.468 568 HG21 VAL 78 3HG2 VAL 78 -9.247 28.756 -25.951 569 HG22 VAL 78 1HG2 VAL 78 -10.923 28.749 -26.499 570 HG23 VAL 78 2HG2 VAL 78 -10.269 27.353 -25.642 571 H LEU 79 H LEU 79 -12.876 28.232 -27.456 572 HA LEU 79 HA LEU 79 -12.753 30.674 -29.071 573 HB2 LEU 79 2HB LEU 79 -15.161 28.898 -28.737 574 HB3 LEU 79 3HB LEU 79 -15.249 30.559 -29.318 575 HG LEU 79 HG LEU 79 -13.351 29.060 -30.877 576 HD11 LEU 79 1HD1 LEU 79 -14.804 27.165 -30.112 577 HD12 LEU 79 2HD1 LEU 79 -14.755 27.413 -31.857 578 HD13 LEU 79 3HD1 LEU 79 -16.152 27.958 -30.929 579 HD21 LEU 79 3HD2 LEU 79 -14.170 30.930 -31.914 580 HD22 LEU 79 1HD2 LEU 79 -15.804 30.697 -31.291 581 HD23 LEU 79 2HD2 LEU 79 -15.216 29.697 -32.620 582 H VAL 80 H VAL 80 -13.079 32.468 -27.913 583 HA VAL 80 HA VAL 80 -13.964 32.160 -25.131 584 HB VAL 80 HB VAL 80 -11.738 33.216 -25.579 585 HG11 VAL 80 1HG1 VAL 80 -11.526 35.313 -26.588 586 HG12 VAL 80 2HG1 VAL 80 -12.649 34.445 -27.637 587 HG13 VAL 80 3HG1 VAL 80 -13.256 35.638 -26.488 588 HG21 VAL 80 3HG2 VAL 80 -12.334 35.326 -24.151 589 HG22 VAL 80 1HG2 VAL 80 -13.927 34.573 -24.074 590 HG23 VAL 80 2HG2 VAL 80 -12.514 33.710 -23.468 591 H SER 81 H SER 81 -15.733 33.172 -24.349 592 HA SER 81 HA SER 81 -17.355 34.682 -26.280 593 HB2 SER 81 2HB SER 81 -17.972 32.662 -24.278 594 HB3 SER 81 3HB SER 81 -18.975 34.101 -24.090 595 HG SER 81 HG SER 81 -19.774 32.443 -25.579 596 HA PRO 82 HA PRO 82 -17.108 38.413 -23.988 597 HB2 PRO 82 2HB PRO 82 -19.629 39.394 -24.214 598 HB3 PRO 82 3HB PRO 82 -18.488 39.356 -25.564 599 HG2 PRO 82 2HG PRO 82 -20.725 37.474 -24.920 600 HG3 PRO 82 3HG PRO 82 -20.251 38.153 -26.488 601 HD2 PRO 82 2HD PRO 82 -19.580 35.643 -25.724 602 HD3 PRO 82 3HD PRO 82 -18.542 36.632 -26.771 603 H LYS 83 H LYS 83 -16.752 37.967 -21.852 604 HA LYS 83 HA LYS 83 -17.163 37.614 -19.638 605 HB2 LYS 83 2HB LYS 83 -18.747 39.709 -20.512 606 HB3 LYS 83 3HB LYS 83 -19.879 38.686 -19.638 607 HG2 LYS 83 2HG LYS 83 -18.649 38.866 -17.634 608 HG3 LYS 83 3HG LYS 83 -17.256 39.561 -18.465 609 HD2 LYS 83 2HD LYS 83 -18.891 41.455 -19.120 610 HD3 LYS 83 3HD LYS 83 -19.895 40.825 -17.813 611 HE2 LYS 83 2HE LYS 83 -17.765 40.995 -16.381 612 HE3 LYS 83 3HE LYS 83 -17.148 42.026 -17.671 613 HZ1 LYS 83 3HZ LYS 83 -19.709 42.918 -17.050 614 HZ2 LYS 83 1HZ LYS 83 -18.239 43.705 -16.762 615 HZ3 LYS 83 2HZ LYS 83 -18.904 42.697 -15.579 616 H ALA 84 H ALA 84 -19.351 37.045 -18.132 617 HA ALA 84 HA ALA 84 -20.028 34.367 -19.079 618 HB1 ALA 84 1HB ALA 84 -20.174 33.733 -16.913 619 HB2 ALA 84 2HB ALA 84 -19.165 35.159 -16.670 620 HB3 ALA 84 3HB ALA 84 -20.906 35.254 -16.401 621 H ALA 85 H ALA 85 -22.197 33.551 -18.937 622 HA ALA 85 HA ALA 85 -24.357 35.482 -18.698 623 HB1 ALA 85 1HB ALA 85 -25.307 34.746 -20.917 624 HB2 ALA 85 2HB ALA 85 -23.887 35.791 -20.996 625 HB3 ALA 85 3HB ALA 85 -23.722 34.056 -21.269 626 H LEU 86 H LEU 86 -26.526 34.309 -19.127 627 HA LEU 86 HA LEU 86 -27.998 32.651 -18.609 628 HB2 LEU 86 2HB LEU 86 -25.704 31.285 -19.613 629 HB3 LEU 86 3HB LEU 86 -26.361 30.370 -18.257 630 HG LEU 86 HG LEU 86 -28.624 30.656 -19.536 631 HD11 LEU 86 1HD1 LEU 86 -26.997 32.031 -21.274 632 HD12 LEU 86 2HD1 LEU 86 -28.591 31.377 -21.644 633 HD13 LEU 86 3HD1 LEU 86 -27.145 30.445 -22.031 634 HD21 LEU 86 3HD2 LEU 86 -27.183 28.573 -19.095 635 HD22 LEU 86 1HD2 LEU 86 -26.639 28.772 -20.761 636 HD23 LEU 86 2HD2 LEU 86 -28.350 28.515 -20.417 637 H ASN 87 H ASN 87 -25.109 31.379 -16.973 638 HA ASN 87 HA ASN 87 -26.479 31.833 -14.403 639 HB2 ASN 87 2HB ASN 87 -25.348 29.806 -13.561 640 HB3 ASN 87 3HB ASN 87 -26.403 29.449 -14.925 641 HD21 ASN 87 1HD2 ASN 87 -25.503 28.884 -16.903 642 HD22 ASN 87 2HD2 ASN 87 -23.855 28.387 -17.052 643 H ASP 88 H ASP 88 -25.241 32.508 -12.653 644 HA ASP 88 HA ASP 88 -22.407 33.062 -13.103 645 HB2 ASP 88 2HB ASP 88 -22.658 35.381 -12.286 646 HB3 ASP 88 3HB ASP 88 -23.523 35.112 -13.797 647 H GLU 89 H GLU 89 -21.321 33.796 -11.070 648 HA GLU 89 HA GLU 89 -22.493 32.369 -8.783 649 HB2 GLU 89 2HB GLU 89 -20.253 31.638 -9.700 650 HB3 GLU 89 3HB GLU 89 -19.607 33.175 -9.143 651 HG2 GLU 89 2HG GLU 89 -19.074 31.897 -7.356 652 HG3 GLU 89 3HG GLU 89 -20.693 32.391 -6.864 Start of MODEL 16 1 H SER 1 H SER 1 2.892 4.845 -0.560 2 HA SER 1 HA SER 1 1.953 2.335 -1.564 3 HB2 SER 1 2HB SER 1 -0.114 4.214 -0.398 4 HB3 SER 1 3HB SER 1 -0.430 2.687 -1.222 5 HG SER 1 HG SER 1 0.472 1.590 0.472 6 HA PRO 2 HA PRO 2 2.298 5.912 -4.536 7 HB2 PRO 2 2HB PRO 2 3.995 4.654 -6.241 8 HB3 PRO 2 3HB PRO 2 4.551 5.580 -4.842 9 HG2 PRO 2 2HG PRO 2 4.207 2.621 -5.141 10 HG3 PRO 2 3HG PRO 2 5.533 3.522 -4.383 11 HD2 PRO 2 2HD PRO 2 3.559 2.352 -2.946 12 HD3 PRO 2 3HD PRO 2 4.360 3.848 -2.425 13 H LYS 3 H LYS 3 1.033 6.108 -6.308 14 HA LYS 3 HA LYS 3 -0.165 3.642 -7.387 15 HB2 LYS 3 2HB LYS 3 -1.843 4.979 -6.317 16 HB3 LYS 3 3HB LYS 3 -1.286 6.434 -7.133 17 HG2 LYS 3 2HG LYS 3 -1.988 5.460 -9.286 18 HG3 LYS 3 3HG LYS 3 -2.618 4.059 -8.418 19 HD2 LYS 3 2HD LYS 3 -3.528 6.733 -7.517 20 HD3 LYS 3 3HD LYS 3 -4.137 6.156 -9.070 21 HE2 LYS 3 2HE LYS 3 -4.314 3.994 -7.272 22 HE3 LYS 3 3HE LYS 3 -4.931 5.409 -6.421 23 HZ1 LYS 3 3HZ LYS 3 -5.864 5.116 -9.144 24 HZ2 LYS 3 1HZ LYS 3 -6.720 5.525 -7.743 25 HZ3 LYS 3 2HZ LYS 3 -6.384 3.903 -8.085 26 H THR 4 H THR 4 0.986 3.153 -9.166 27 HA THR 4 HA THR 4 1.445 5.298 -11.136 28 HB THR 4 HB THR 4 3.031 3.160 -11.922 29 HG1 THR 4 HG1 THR 4 3.414 3.543 -9.130 30 HG21 THR 4 3HG2 THR 4 3.510 5.764 -10.542 31 HG22 THR 4 1HG2 THR 4 3.953 5.259 -12.172 32 HG23 THR 4 2HG2 THR 4 4.862 4.658 -10.785 33 H ILE 5 H ILE 5 0.149 5.219 -12.839 34 HA ILE 5 HA ILE 5 -1.528 3.008 -13.418 35 HB ILE 5 HB ILE 5 -2.419 4.267 -15.171 36 HG12 ILE 5 2HG1 ILE 5 -0.389 4.632 -16.453 37 HG13 ILE 5 3HG1 ILE 5 -1.225 6.165 -16.235 38 HG21 ILE 5 1HG2 ILE 5 -2.042 5.439 -12.710 39 HG22 ILE 5 2HG2 ILE 5 -1.559 6.705 -13.838 40 HG23 ILE 5 3HG2 ILE 5 -3.164 5.985 -13.956 41 HD11 ILE 5 3HD1 ILE 5 0.344 6.532 -14.258 42 HD12 ILE 5 1HD1 ILE 5 1.287 5.199 -14.925 43 HD13 ILE 5 2HD1 ILE 5 1.022 6.658 -15.881 44 H LEU 6 H LEU 6 -1.631 2.016 -15.641 45 HA LEU 6 HA LEU 6 1.077 1.444 -16.651 46 HB2 LEU 6 2HB LEU 6 -0.697 -0.331 -15.403 47 HB3 LEU 6 3HB LEU 6 -0.761 -0.720 -17.120 48 HG LEU 6 HG LEU 6 1.740 -0.934 -17.068 49 HD11 LEU 6 1HD1 LEU 6 1.352 0.107 -14.447 50 HD12 LEU 6 2HD1 LEU 6 2.861 -0.266 -15.280 51 HD13 LEU 6 3HD1 LEU 6 2.054 -1.506 -14.320 52 HD21 LEU 6 3HD2 LEU 6 -0.049 -2.732 -15.463 53 HD22 LEU 6 1HD2 LEU 6 1.649 -3.119 -15.744 54 HD23 LEU 6 2HD2 LEU 6 0.546 -2.947 -17.110 55 H GLY 7 H GLY 7 -2.354 1.755 -17.376 56 HA2 GLY 7 2HA GLY 7 -1.623 2.127 -20.213 57 HA3 GLY 7 3HA GLY 7 -3.045 1.205 -19.747 58 H ILE 8 H ILE 8 -2.662 3.729 -21.333 59 HA ILE 8 HA ILE 8 -4.563 5.380 -19.803 60 HB ILE 8 HB ILE 8 -2.357 6.476 -19.904 61 HG12 ILE 8 2HG1 ILE 8 -4.444 7.833 -21.625 62 HG13 ILE 8 3HG1 ILE 8 -4.439 7.812 -19.865 63 HG21 ILE 8 1HG2 ILE 8 -1.381 7.184 -21.972 64 HG22 ILE 8 2HG2 ILE 8 -1.677 5.449 -22.069 65 HG23 ILE 8 3HG2 ILE 8 -2.760 6.575 -22.887 66 HD11 ILE 8 3HD1 ILE 8 -1.963 8.789 -20.406 67 HD12 ILE 8 1HD1 ILE 8 -2.913 9.456 -21.734 68 HD13 ILE 8 2HD1 ILE 8 -3.389 9.769 -20.064 69 H GLU 9 H GLU 9 -6.198 6.408 -20.975 70 HA GLU 9 HA GLU 9 -6.411 5.760 -23.825 71 HB2 GLU 9 2HB GLU 9 -7.736 4.238 -22.031 72 HB3 GLU 9 3HB GLU 9 -8.914 5.523 -22.262 73 HG2 GLU 9 2HG GLU 9 -8.342 5.009 -24.819 74 HG3 GLU 9 3HG GLU 9 -8.004 3.424 -24.125 75 H VAL 10 H VAL 10 -6.976 7.477 -24.985 76 HA VAL 10 HA VAL 10 -7.548 9.975 -23.748 77 HB VAL 10 HB VAL 10 -6.324 9.938 -25.829 78 HG11 VAL 10 1HG1 VAL 10 -8.217 8.006 -26.584 79 HG12 VAL 10 2HG1 VAL 10 -8.422 9.362 -27.695 80 HG13 VAL 10 3HG1 VAL 10 -6.843 8.596 -27.519 81 HG21 VAL 10 3HG2 VAL 10 -7.874 11.851 -25.281 82 HG22 VAL 10 1HG2 VAL 10 -7.440 11.685 -26.983 83 HG23 VAL 10 2HG2 VAL 10 -9.021 11.142 -26.419 84 H SER 11 H SER 11 -9.441 10.703 -23.062 85 HA SER 11 HA SER 11 -11.890 9.809 -24.420 86 HB2 SER 11 2HB SER 11 -11.207 8.855 -21.962 87 HB3 SER 11 3HB SER 11 -12.144 10.281 -21.516 88 HG SER 11 HG SER 11 -13.002 8.199 -23.247 89 H GLN 12 H GLN 12 -10.415 12.233 -24.772 90 HA GLN 12 HA GLN 12 -11.778 14.315 -23.315 91 HB2 GLN 12 2HB GLN 12 -10.516 15.828 -24.879 92 HB3 GLN 12 3HB GLN 12 -9.512 14.760 -23.906 93 HG2 GLN 12 2HG GLN 12 -8.586 13.894 -25.715 94 HG3 GLN 12 3HG GLN 12 -10.166 13.480 -26.380 95 HE21 GLN 12 1HE2 GLN 12 -8.741 16.634 -25.662 96 HE22 GLN 12 2HE2 GLN 12 -8.824 17.237 -27.279 97 H GLU 13 H GLU 13 -13.499 15.485 -23.949 98 HA GLU 13 HA GLU 13 -14.776 14.714 -26.474 99 HB2 GLU 13 2HB GLU 13 -15.767 15.665 -23.839 100 HB3 GLU 13 3HB GLU 13 -16.685 16.147 -25.259 101 HG2 GLU 13 2HG GLU 13 -16.460 13.559 -25.804 102 HG3 GLU 13 3HG GLU 13 -16.321 13.471 -24.049 103 HA PRO 14 HA PRO 14 -14.133 18.613 -28.380 104 HB2 PRO 14 2HB PRO 14 -16.443 18.930 -29.771 105 HB3 PRO 14 3HB PRO 14 -15.199 17.760 -30.228 106 HG2 PRO 14 2HG PRO 14 -17.747 17.323 -28.719 107 HG3 PRO 14 3HG PRO 14 -17.029 16.342 -30.009 108 HD2 PRO 14 2HD PRO 14 -16.823 15.683 -27.391 109 HD3 PRO 14 3HD PRO 14 -15.552 15.308 -28.573 110 H LYS 15 H LYS 15 -14.219 20.628 -27.623 111 HA LYS 15 HA LYS 15 -16.554 22.055 -27.045 112 HB2 LYS 15 2HB LYS 15 -16.837 20.676 -25.105 113 HB3 LYS 15 3HB LYS 15 -15.151 20.876 -24.646 114 HG2 LYS 15 2HG LYS 15 -15.636 22.679 -23.458 115 HG3 LYS 15 3HG LYS 15 -16.412 23.441 -24.848 116 HD2 LYS 15 2HD LYS 15 -18.343 21.723 -24.202 117 HD3 LYS 15 3HD LYS 15 -17.600 21.895 -22.610 118 HE2 LYS 15 2HE LYS 15 -17.979 24.232 -22.587 119 HE3 LYS 15 3HE LYS 15 -18.390 24.255 -24.301 120 HZ1 LYS 15 3HZ LYS 15 -20.335 24.408 -22.812 121 HZ2 LYS 15 1HZ LYS 15 -19.985 22.860 -22.223 122 HZ3 LYS 15 2HZ LYS 15 -20.401 23.073 -23.849 123 H LYS 16 H LYS 16 -13.673 22.090 -24.999 124 HA LYS 16 HA LYS 16 -12.242 23.828 -24.543 125 HB2 LYS 16 2HB LYS 16 -11.246 22.617 -26.497 126 HB3 LYS 16 3HB LYS 16 -11.989 23.810 -27.555 127 HG2 LYS 16 2HG LYS 16 -9.599 24.241 -27.088 128 HG3 LYS 16 3HG LYS 16 -10.663 25.567 -26.610 129 HD2 LYS 16 2HD LYS 16 -10.051 23.511 -24.562 130 HD3 LYS 16 3HD LYS 16 -8.746 24.609 -25.017 131 HE2 LYS 16 2HE LYS 16 -10.884 26.303 -24.723 132 HE3 LYS 16 3HE LYS 16 -11.168 25.106 -23.460 133 HZ1 LYS 16 3HZ LYS 16 -9.354 27.232 -23.446 134 HZ2 LYS 16 1HZ LYS 16 -8.455 25.799 -23.432 135 HZ3 LYS 16 2HZ LYS 16 -9.619 26.078 -22.238 136 H ASP 17 H ASP 17 -14.547 24.957 -24.207 137 HA ASP 17 HA ASP 17 -14.396 27.495 -25.694 138 HB2 ASP 17 2HB ASP 17 -16.376 26.476 -26.499 139 HB3 ASP 17 3HB ASP 17 -16.833 25.912 -24.894 140 H TYR 18 H TYR 18 -14.092 29.226 -24.460 141 HA TYR 18 HA TYR 18 -15.006 29.185 -21.674 142 HB2 TYR 18 2HB TYR 18 -12.917 29.938 -20.813 143 HB3 TYR 18 3HB TYR 18 -12.562 28.545 -21.828 144 HD1 TYR 18 HD2 TYR 18 -11.750 28.996 -24.214 145 HD2 TYR 18 HD1 TYR 18 -11.846 31.985 -21.188 146 HE1 TYR 18 HE2 TYR 18 -10.131 30.335 -25.493 147 HE2 TYR 18 HE1 TYR 18 -10.229 33.333 -22.459 148 HH TYR 18 HH TYR 18 -8.642 33.184 -24.160 149 H LEU 19 H LEU 19 -15.267 31.280 -20.729 150 HA LEU 19 HA LEU 19 -15.593 33.405 -22.742 151 HB2 LEU 19 2HB LEU 19 -17.218 34.323 -20.956 152 HB3 LEU 19 3HB LEU 19 -17.729 32.989 -21.988 153 HG LEU 19 HG LEU 19 -18.360 32.830 -19.546 154 HD11 LEU 19 1HD1 LEU 19 -17.618 30.892 -21.388 155 HD12 LEU 19 2HD1 LEU 19 -18.557 30.648 -19.915 156 HD13 LEU 19 3HD1 LEU 19 -16.808 30.417 -19.894 157 HD21 LEU 19 3HD2 LEU 19 -15.544 31.935 -19.083 158 HD22 LEU 19 1HD2 LEU 19 -16.782 32.388 -17.912 159 HD23 LEU 19 2HD2 LEU 19 -15.987 33.630 -18.879 160 H VAL 20 H VAL 20 -15.286 35.619 -21.988 161 HA VAL 20 HA VAL 20 -12.825 36.044 -20.779 162 HB VAL 20 HB VAL 20 -13.376 38.386 -20.681 163 HG11 VAL 20 1HG1 VAL 20 -13.118 37.126 -22.919 164 HG12 VAL 20 2HG1 VAL 20 -14.849 37.417 -23.103 165 HG13 VAL 20 3HG1 VAL 20 -13.736 38.777 -22.944 166 HG21 VAL 20 3HG2 VAL 20 -16.121 37.358 -20.496 167 HG22 VAL 20 1HG2 VAL 20 -15.412 38.833 -19.839 168 HG23 VAL 20 2HG2 VAL 20 -15.926 38.777 -21.525 169 H GLY 21 H GLY 21 -12.139 36.536 -18.734 170 HA2 GLY 21 2HA GLY 21 -12.414 37.129 -16.460 171 HA3 GLY 21 3HA GLY 21 -14.126 36.753 -16.595 172 H ASP 22 H ASP 22 -12.073 34.419 -17.976 173 HA ASP 22 HA ASP 22 -11.941 32.839 -15.520 174 HB2 ASP 22 2HB ASP 22 -13.714 32.308 -17.793 175 HB3 ASP 22 3HB ASP 22 -12.703 30.934 -17.354 176 H SER 23 H SER 23 -11.204 32.934 -18.994 177 HA SER 23 HA SER 23 -9.336 32.378 -20.168 178 HB2 SER 23 2HB SER 23 -7.662 32.105 -17.718 179 HB3 SER 23 3HB SER 23 -7.301 32.911 -19.245 180 HG SER 23 HG SER 23 -7.621 34.537 -17.826 181 H LEU 24 H LEU 24 -9.519 30.411 -21.025 182 HA LEU 24 HA LEU 24 -9.344 28.164 -21.320 183 HB2 LEU 24 2HB LEU 24 -7.351 28.815 -19.288 184 HB3 LEU 24 3HB LEU 24 -7.907 27.144 -19.216 185 HG LEU 24 HG LEU 24 -7.234 27.968 -21.921 186 HD11 LEU 24 1HD1 LEU 24 -5.108 28.117 -19.792 187 HD12 LEU 24 2HD1 LEU 24 -5.618 29.403 -20.885 188 HD13 LEU 24 3HD1 LEU 24 -4.784 27.986 -21.521 189 HD21 LEU 24 3HD2 LEU 24 -7.383 25.647 -20.434 190 HD22 LEU 24 1HD2 LEU 24 -5.651 25.875 -20.678 191 HD23 LEU 24 2HD2 LEU 24 -6.734 25.800 -22.068 192 H ASP 25 H ASP 25 -11.306 27.289 -21.047 193 HA ASP 25 HA ASP 25 -12.078 26.506 -18.313 194 HB2 ASP 25 2HB ASP 25 -13.462 28.381 -19.314 195 HB3 ASP 25 3HB ASP 25 -14.033 27.213 -20.502 196 H LEU 26 H LEU 26 -10.653 25.106 -20.562 197 HA LEU 26 HA LEU 26 -12.297 23.208 -21.784 198 HB2 LEU 26 2HB LEU 26 -10.049 23.517 -22.529 199 HB3 LEU 26 3HB LEU 26 -9.408 23.079 -20.947 200 HG LEU 26 HG LEU 26 -10.436 20.770 -21.383 201 HD11 LEU 26 1HD1 LEU 26 -11.244 22.126 -23.752 202 HD12 LEU 26 2HD1 LEU 26 -11.572 20.465 -23.258 203 HD13 LEU 26 3HD1 LEU 26 -10.122 20.838 -24.190 204 HD21 LEU 26 3HD2 LEU 26 -8.184 20.611 -21.425 205 HD22 LEU 26 1HD2 LEU 26 -7.998 21.988 -22.511 206 HD23 LEU 26 2HD2 LEU 26 -8.448 20.411 -23.158 207 H SER 27 H SER 27 -13.706 21.989 -20.695 208 HA SER 27 HA SER 27 -12.756 20.594 -18.279 209 HB2 SER 27 2HB SER 27 -15.366 20.388 -17.924 210 HB3 SER 27 3HB SER 27 -14.509 21.857 -17.459 211 HG SER 27 HG SER 27 -15.206 22.835 -19.336 212 H GLU 28 H GLU 28 -14.034 20.272 -21.447 213 HA GLU 28 HA GLU 28 -14.933 17.547 -21.101 214 HB2 GLU 28 2HB GLU 28 -14.627 19.295 -23.545 215 HB3 GLU 28 3HB GLU 28 -15.220 17.641 -23.601 216 HG2 GLU 28 2HG GLU 28 -16.774 18.858 -21.657 217 HG3 GLU 28 3HG GLU 28 -16.604 20.080 -22.916 218 H GLY 29 H GLY 29 -11.998 19.154 -21.831 219 HA2 GLY 29 2HA GLY 29 -10.792 16.982 -23.291 220 HA3 GLY 29 3HA GLY 29 -9.977 18.418 -22.691 221 H ARG 30 H ARG 30 -11.604 15.534 -21.361 222 HA ARG 30 HA ARG 30 -9.440 15.364 -19.371 223 HB2 ARG 30 2HB ARG 30 -10.952 14.333 -17.867 224 HB3 ARG 30 3HB ARG 30 -11.819 15.698 -18.558 225 HG2 ARG 30 2HG ARG 30 -12.396 13.559 -20.243 226 HG3 ARG 30 3HG ARG 30 -12.465 12.894 -18.610 227 HD2 ARG 30 2HD ARG 30 -13.965 14.761 -17.967 228 HD3 ARG 30 3HD ARG 30 -13.957 15.301 -19.646 229 HE ARG 30 HE ARG 30 -15.417 13.611 -20.164 230 HH11 ARG 30 1HH1 ARG 30 -14.046 13.026 -17.017 231 HH12 ARG 30 2HH1 ARG 30 -15.112 11.710 -16.654 232 HH21 ARG 30 1HH2 ARG 30 -16.826 11.879 -19.697 233 HH22 ARG 30 2HH2 ARG 30 -16.693 11.058 -18.179 234 H PHE 31 H PHE 31 -8.634 13.271 -18.812 235 HA PHE 31 HA PHE 31 -9.028 11.255 -20.926 236 HB2 PHE 31 2HB PHE 31 -6.692 10.656 -20.762 237 HB3 PHE 31 3HB PHE 31 -6.812 12.389 -21.046 238 HD1 PHE 31 HD2 PHE 31 -6.682 13.917 -18.980 239 HD2 PHE 31 HD1 PHE 31 -5.433 9.848 -18.997 240 HE1 PHE 31 HE2 PHE 31 -5.292 14.339 -16.994 241 HE2 PHE 31 HE1 PHE 31 -4.042 10.263 -17.010 242 HZ PHE 31 HZ PHE 31 -3.970 12.511 -16.007 243 H ALA 32 H ALA 32 -8.974 9.074 -20.314 244 HA ALA 32 HA ALA 32 -9.438 8.629 -17.441 245 HB1 ALA 32 1HB ALA 32 -11.274 8.145 -19.149 246 HB2 ALA 32 2HB ALA 32 -10.293 6.760 -19.629 247 HB3 ALA 32 3HB ALA 32 -10.900 6.880 -17.977 248 H VAL 33 H VAL 33 -7.872 7.631 -16.374 249 HA VAL 33 HA VAL 33 -6.051 5.857 -17.864 250 HB VAL 33 HB VAL 33 -5.085 7.931 -16.757 251 HG11 VAL 33 1HG1 VAL 33 -5.092 6.449 -14.185 252 HG12 VAL 33 2HG1 VAL 33 -5.022 8.185 -14.493 253 HG13 VAL 33 3HG1 VAL 33 -6.555 7.325 -14.634 254 HG21 VAL 33 3HG2 VAL 33 -3.695 6.067 -17.466 255 HG22 VAL 33 1HG2 VAL 33 -3.100 6.731 -15.944 256 HG23 VAL 33 2HG2 VAL 33 -4.018 5.225 -15.950 257 H ALA 34 H ALA 34 -5.652 3.815 -17.134 258 HA ALA 34 HA ALA 34 -7.391 2.861 -14.967 259 HB1 ALA 34 1HB ALA 34 -6.663 1.808 -17.544 260 HB2 ALA 34 2HB ALA 34 -6.281 0.652 -16.267 261 HB3 ALA 34 3HB ALA 34 -7.922 1.276 -16.429 262 H TYR 35 H TYR 35 -6.587 1.925 -13.168 263 HA TYR 35 HA TYR 35 -3.688 2.008 -12.814 264 HB2 TYR 35 2HB TYR 35 -5.208 3.112 -11.158 265 HB3 TYR 35 3HB TYR 35 -5.828 1.521 -10.733 266 HD1 TYR 35 HD2 TYR 35 -2.298 2.369 -11.481 267 HD2 TYR 35 HD1 TYR 35 -5.147 1.388 -8.477 268 HE1 TYR 35 HE2 TYR 35 -0.477 2.101 -9.850 269 HE2 TYR 35 HE1 TYR 35 -3.334 1.118 -6.837 270 HH TYR 35 HH TYR 35 0.045 1.271 -7.793 271 H SER 36 H SER 36 -2.475 0.253 -12.121 272 HA SER 36 HA SER 36 -3.181 -2.261 -13.140 273 HB2 SER 36 2HB SER 36 -0.961 -1.166 -11.514 274 HB3 SER 36 3HB SER 36 -1.220 -2.906 -11.387 275 HG SER 36 HG SER 36 -1.188 -2.891 -13.752 276 H ASN 37 H ASN 37 -3.996 -0.744 -10.195 277 HA ASN 37 HA ASN 37 -4.589 -3.260 -8.840 278 HB2 ASN 37 2HB ASN 37 -3.563 -1.150 -7.730 279 HB3 ASN 37 3HB ASN 37 -5.211 -0.530 -7.745 280 HD21 ASN 37 1HD2 ASN 37 -3.188 -3.181 -6.629 281 HD22 ASN 37 2HD2 ASN 37 -4.165 -3.593 -5.265 282 H ASP 38 H ASP 38 -6.046 -2.261 -11.259 283 HA ASP 38 HA ASP 38 -8.173 -2.277 -12.066 284 HB2 ASP 38 2HB ASP 38 -8.204 -4.287 -10.399 285 HB3 ASP 38 3HB ASP 38 -9.196 -3.221 -9.407 286 H THR 39 H THR 39 -7.764 0.124 -11.844 287 HA THR 39 HA THR 39 -10.043 1.300 -10.466 288 HB THR 39 HB THR 39 -7.661 2.960 -10.107 289 HG1 THR 39 HG1 THR 39 -7.864 0.640 -8.478 290 HG21 THR 39 3HG2 THR 39 -9.535 1.953 -7.987 291 HG22 THR 39 1HG2 THR 39 -10.034 3.194 -9.136 292 HG23 THR 39 2HG2 THR 39 -8.668 3.486 -8.059 293 H MET 40 H MET 40 -10.456 3.534 -11.152 294 HA MET 40 HA MET 40 -9.130 4.327 -13.636 295 HB2 MET 40 2HB MET 40 -11.993 3.554 -13.332 296 HB3 MET 40 3HB MET 40 -11.612 4.901 -14.396 297 HG2 MET 40 2HG MET 40 -10.160 3.496 -15.717 298 HG3 MET 40 3HG MET 40 -10.415 2.149 -14.611 299 HE1 MET 40 3HE MET 40 -10.714 1.298 -17.300 300 HE2 MET 40 1HE MET 40 -11.518 0.267 -16.116 301 HE3 MET 40 2HE MET 40 -12.360 0.734 -17.594 302 H GLU 41 H GLU 41 -8.887 6.485 -13.846 303 HA GLU 41 HA GLU 41 -10.453 8.249 -12.100 304 HB2 GLU 41 2HB GLU 41 -7.631 7.680 -11.881 305 HB3 GLU 41 3HB GLU 41 -7.886 9.381 -12.245 306 HG2 GLU 41 2HG GLU 41 -7.964 9.456 -9.978 307 HG3 GLU 41 3HG GLU 41 -9.671 9.181 -10.324 308 H GLU 42 H GLU 42 -11.146 10.067 -13.061 309 HA GLU 42 HA GLU 42 -10.024 10.724 -15.706 310 HB2 GLU 42 2HB GLU 42 -12.275 11.555 -16.317 311 HB3 GLU 42 3HB GLU 42 -12.257 9.832 -15.966 312 HG2 GLU 42 2HG GLU 42 -12.835 11.032 -13.531 313 HG3 GLU 42 3HG GLU 42 -13.757 11.954 -14.717 314 H HIS 43 H HIS 43 -9.565 12.832 -16.157 315 HA HIS 43 HA HIS 43 -10.422 14.952 -14.384 316 HB2 HIS 43 2HB HIS 43 -7.856 13.696 -14.055 317 HB3 HIS 43 3HB HIS 43 -7.635 15.365 -14.572 318 HD1 HIS 43 HD1 HIS 43 -7.116 14.032 -11.654 319 HD2 HIS 43 HD2 HIS 43 -10.204 16.571 -12.783 320 HE1 HIS 43 HE1 HIS 43 -7.912 15.109 -9.526 321 H SER 44 H SER 44 -10.425 16.932 -15.359 322 HA SER 44 HA SER 44 -9.502 16.990 -18.154 323 HB2 SER 44 2HB SER 44 -11.334 19.126 -17.493 324 HB3 SER 44 3HB SER 44 -11.490 17.864 -18.715 325 HG SER 44 HG SER 44 -13.106 17.924 -16.948 326 H PHE 45 H PHE 45 -7.888 18.308 -18.653 327 HA PHE 45 HA PHE 45 -6.198 19.821 -18.398 328 HB2 PHE 45 2HB PHE 45 -8.238 21.236 -18.962 329 HB3 PHE 45 3HB PHE 45 -8.330 21.619 -17.246 330 HD1 PHE 45 HD1 PHE 45 -5.459 21.350 -19.610 331 HD2 PHE 45 HD2 PHE 45 -7.681 23.799 -16.931 332 HE1 PHE 45 HE1 PHE 45 -3.837 23.172 -19.935 333 HE2 PHE 45 HE2 PHE 45 -6.064 25.625 -17.252 334 HZ PHE 45 HZ PHE 45 -4.140 25.313 -18.757 335 H THR 46 H THR 46 -6.597 18.032 -16.174 336 HA THR 46 HA THR 46 -5.814 19.724 -13.897 337 HB THR 46 HB THR 46 -6.295 16.874 -13.359 338 HG1 THR 46 HG1 THR 46 -7.921 17.305 -14.949 339 HG21 THR 46 3HG2 THR 46 -5.953 18.690 -11.661 340 HG22 THR 46 1HG2 THR 46 -7.417 17.735 -11.428 341 HG23 THR 46 2HG2 THR 46 -7.519 19.346 -12.137 342 H ASP 47 H ASP 47 -5.073 16.473 -15.176 343 HA ASP 47 HA ASP 47 -2.689 16.057 -13.852 344 HB2 ASP 47 2HB ASP 47 -3.761 14.290 -15.119 345 HB3 ASP 47 3HB ASP 47 -3.487 15.158 -16.627 346 H GLU 48 H GLU 48 -0.616 16.697 -14.086 347 HA GLU 48 HA GLU 48 -0.106 18.848 -15.994 348 HB2 GLU 48 2HB GLU 48 1.155 17.950 -13.440 349 HB3 GLU 48 3HB GLU 48 2.134 18.852 -14.588 350 HG2 GLU 48 2HG GLU 48 1.338 20.681 -13.620 351 HG3 GLU 48 3HG GLU 48 -0.178 20.332 -14.447 352 H GLY 49 H GLY 49 -0.211 15.931 -16.693 353 HA2 GLY 49 2HA GLY 49 2.564 15.433 -17.494 354 HA3 GLY 49 3HA GLY 49 1.243 14.276 -17.569 355 H VAL 50 H VAL 50 -0.419 16.535 -18.805 356 HA VAL 50 HA VAL 50 0.541 16.087 -21.546 357 HB VAL 50 HB VAL 50 -2.204 17.031 -20.725 358 HG11 VAL 50 1HG1 VAL 50 -2.810 16.191 -22.981 359 HG12 VAL 50 2HG1 VAL 50 -1.667 17.534 -23.016 360 HG13 VAL 50 3HG1 VAL 50 -1.101 15.886 -23.287 361 HG21 VAL 50 3HG2 VAL 50 -2.376 14.389 -21.613 362 HG22 VAL 50 1HG2 VAL 50 -1.025 14.413 -20.479 363 HG23 VAL 50 2HG2 VAL 50 -2.616 14.979 -19.968 364 H GLU 51 H GLU 51 0.810 17.766 -22.982 365 HA GLU 51 HA GLU 51 0.454 20.492 -21.941 366 HB2 GLU 51 2HB GLU 51 2.910 19.377 -23.299 367 HB3 GLU 51 3HB GLU 51 2.619 21.096 -23.072 368 HG2 GLU 51 2HG GLU 51 2.259 20.017 -20.550 369 HG3 GLU 51 3HG GLU 51 3.627 19.125 -21.213 370 H ILE 52 H ILE 52 -0.407 21.909 -23.346 371 HA ILE 52 HA ILE 52 -0.874 20.961 -26.093 372 HB ILE 52 HB ILE 52 -2.471 22.748 -24.288 373 HG12 ILE 52 2HG1 ILE 52 -4.308 21.240 -25.164 374 HG13 ILE 52 3HG1 ILE 52 -3.051 20.292 -25.950 375 HG21 ILE 52 1HG2 ILE 52 -2.561 22.639 -27.292 376 HG22 ILE 52 2HG2 ILE 52 -3.916 23.198 -26.313 377 HG23 ILE 52 3HG2 ILE 52 -2.376 24.054 -26.256 378 HD11 ILE 52 3HD1 ILE 52 -4.006 19.683 -23.562 379 HD12 ILE 52 1HD1 ILE 52 -2.323 19.394 -24.003 380 HD13 ILE 52 2HD1 ILE 52 -2.754 20.816 -23.053 381 H SER 53 H SER 53 -0.306 22.189 -27.821 382 HA SER 53 HA SER 53 1.023 24.758 -27.255 383 HB2 SER 53 2HB SER 53 2.086 22.395 -28.478 384 HB3 SER 53 3HB SER 53 2.042 23.687 -29.678 385 HG SER 53 HG SER 53 3.069 24.999 -27.965 386 H GLY 54 H GLY 54 0.798 26.415 -28.789 387 HA2 GLY 54 2HA GLY 54 -0.007 27.279 -30.874 388 HA3 GLY 54 3HA GLY 54 -1.139 25.937 -30.950 389 H TYR 55 H TYR 55 -1.636 26.513 -27.958 390 HA TYR 55 HA TYR 55 -3.887 28.257 -28.430 391 HB2 TYR 55 2HB TYR 55 -4.294 26.370 -27.021 392 HB3 TYR 55 3HB TYR 55 -2.919 26.759 -25.994 393 HD1 TYR 55 HD1 TYR 55 -3.046 28.648 -24.413 394 HD2 TYR 55 HD2 TYR 55 -6.413 27.454 -26.725 395 HE1 TYR 55 HE1 TYR 55 -4.520 29.929 -22.918 396 HE2 TYR 55 HE2 TYR 55 -7.896 28.732 -25.236 397 HH TYR 55 HH TYR 55 -7.988 30.217 -23.561 398 H ASP 56 H ASP 56 -3.947 30.373 -28.083 399 HA ASP 56 HA ASP 56 -1.740 31.604 -26.578 400 HB2 ASP 56 2HB ASP 56 -3.031 32.258 -29.075 401 HB3 ASP 56 3HB ASP 56 -3.156 33.609 -27.952 402 H ALA 57 H ALA 57 -2.369 31.834 -24.516 403 HA ALA 57 HA ALA 57 -4.963 32.113 -23.561 404 HB1 ALA 57 1HB ALA 57 -3.891 31.906 -21.633 405 HB2 ALA 57 2HB ALA 57 -2.353 32.118 -22.471 406 HB3 ALA 57 3HB ALA 57 -3.204 33.520 -21.822 407 H GLN 58 H GLN 58 -2.888 34.444 -25.032 408 HA GLN 58 HA GLN 58 -4.252 36.753 -23.994 409 HB2 GLN 58 2HB GLN 58 -1.807 36.352 -25.156 410 HB3 GLN 58 3HB GLN 58 -2.711 37.085 -26.473 411 HG2 GLN 58 2HG GLN 58 -1.912 38.965 -25.504 412 HG3 GLN 58 3HG GLN 58 -3.395 38.787 -24.568 413 HE21 GLN 58 1HE2 GLN 58 -3.265 37.957 -22.448 414 HE22 GLN 58 2HE2 GLN 58 -1.791 38.031 -21.549 415 H LYS 59 H LYS 59 -4.588 34.636 -26.718 416 HA LYS 59 HA LYS 59 -7.137 35.707 -27.384 417 HB2 LYS 59 2HB LYS 59 -4.777 36.629 -28.892 418 HB3 LYS 59 3HB LYS 59 -6.109 36.051 -29.884 419 HG2 LYS 59 2HG LYS 59 -7.233 37.931 -29.569 420 HG3 LYS 59 3HG LYS 59 -7.102 37.773 -27.816 421 HD2 LYS 59 2HD LYS 59 -5.150 39.027 -27.723 422 HD3 LYS 59 3HD LYS 59 -4.770 38.743 -29.423 423 HE2 LYS 59 2HE LYS 59 -7.286 40.186 -28.853 424 HE3 LYS 59 3HE LYS 59 -5.790 41.048 -28.498 425 HZ1 LYS 59 3HZ LYS 59 -6.571 41.461 -30.757 426 HZ2 LYS 59 1HZ LYS 59 -6.471 39.810 -31.110 427 HZ3 LYS 59 2HZ LYS 59 -5.068 40.687 -30.762 428 H THR 60 H THR 60 -8.341 34.239 -28.485 429 HA THR 60 HA THR 60 -6.938 31.826 -29.436 430 HB THR 60 HB THR 60 -9.334 30.799 -29.029 431 HG1 THR 60 HG1 THR 60 -9.279 32.768 -26.984 432 HG21 THR 60 3HG2 THR 60 -7.282 30.059 -27.922 433 HG22 THR 60 1HG2 THR 60 -8.626 30.118 -26.782 434 HG23 THR 60 2HG2 THR 60 -7.408 31.394 -26.778 435 H GLY 61 H GLY 61 -10.308 32.864 -29.819 436 HA2 GLY 61 2HA GLY 61 -11.624 32.885 -31.716 437 HA3 GLY 61 3HA GLY 61 -10.342 33.923 -32.323 438 H ARG 62 H ARG 62 -11.251 30.510 -31.961 439 HA ARG 62 HA ARG 62 -10.955 28.713 -33.324 440 HB2 ARG 62 2HB ARG 62 -11.709 30.623 -35.007 441 HB3 ARG 62 3HB ARG 62 -10.067 30.419 -35.602 442 HG2 ARG 62 2HG ARG 62 -11.245 27.846 -35.283 443 HG3 ARG 62 3HG ARG 62 -12.350 28.876 -36.195 444 HD2 ARG 62 2HD ARG 62 -9.483 28.961 -36.940 445 HD3 ARG 62 3HD ARG 62 -10.378 27.498 -37.346 446 HE ARG 62 HE ARG 62 -11.917 29.637 -38.198 447 HH11 ARG 62 1HH1 ARG 62 -8.782 28.286 -38.880 448 HH12 ARG 62 2HH1 ARG 62 -8.764 28.823 -40.527 449 HH21 ARG 62 1HH2 ARG 62 -11.906 30.350 -40.365 450 HH22 ARG 62 2HH2 ARG 62 -10.541 29.998 -41.370 451 H GLN 63 H GLN 63 -8.884 29.183 -31.683 452 HA GLN 63 HA GLN 63 -6.417 29.191 -33.225 453 HB2 GLN 63 2HB GLN 63 -7.020 30.166 -30.754 454 HB3 GLN 63 3HB GLN 63 -6.283 28.625 -30.337 455 HG2 GLN 63 2HG GLN 63 -4.485 30.062 -30.321 456 HG3 GLN 63 3HG GLN 63 -4.395 29.359 -31.935 457 HE21 GLN 63 1HE2 GLN 63 -4.981 30.615 -33.722 458 HE22 GLN 63 2HE2 GLN 63 -5.051 32.339 -33.635 459 H THR 64 H THR 64 -4.940 27.486 -33.276 460 HA THR 64 HA THR 64 -6.155 24.861 -33.093 461 HB THR 64 HB THR 64 -3.428 25.723 -34.072 462 HG1 THR 64 HG1 THR 64 -5.557 26.142 -35.263 463 HG21 THR 64 3HG2 THR 64 -4.704 23.025 -33.818 464 HG22 THR 64 1HG2 THR 64 -3.057 23.520 -33.431 465 HG23 THR 64 2HG2 THR 64 -3.553 23.347 -35.114 466 H LEU 65 H LEU 65 -5.463 23.174 -31.799 467 HA LEU 65 HA LEU 65 -3.403 23.750 -29.795 468 HB2 LEU 65 2HB LEU 65 -6.156 22.680 -29.190 469 HB3 LEU 65 3HB LEU 65 -4.829 22.780 -28.034 470 HG LEU 65 HG LEU 65 -4.897 25.324 -28.577 471 HD11 LEU 65 1HD1 LEU 65 -6.541 26.101 -29.846 472 HD12 LEU 65 2HD1 LEU 65 -7.752 25.238 -28.898 473 HD13 LEU 65 3HD1 LEU 65 -6.952 24.434 -30.248 474 HD21 LEU 65 3HD2 LEU 65 -6.773 23.749 -26.859 475 HD22 LEU 65 1HD2 LEU 65 -6.873 25.509 -26.910 476 HD23 LEU 65 2HD2 LEU 65 -5.379 24.727 -26.394 477 H THR 66 H THR 66 -2.125 22.051 -29.301 478 HA THR 66 HA THR 66 -2.937 19.383 -30.236 479 HB THR 66 HB THR 66 -0.122 19.549 -30.495 480 HG1 THR 66 HG1 THR 66 -1.525 21.783 -31.514 481 HG21 THR 66 3HG2 THR 66 -0.964 19.454 -33.036 482 HG22 THR 66 1HG2 THR 66 -2.480 19.066 -32.224 483 HG23 THR 66 2HG2 THR 66 -1.052 18.068 -31.950 484 H LEU 67 H LEU 67 -3.148 18.255 -28.407 485 HA LEU 67 HA LEU 67 -1.306 18.707 -26.190 486 HB2 LEU 67 2HB LEU 67 -2.839 17.645 -24.818 487 HB3 LEU 67 3HB LEU 67 -3.856 18.487 -25.985 488 HG LEU 67 HG LEU 67 -3.750 16.134 -27.210 489 HD11 LEU 67 1HD1 LEU 67 -3.870 15.078 -24.457 490 HD12 LEU 67 2HD1 LEU 67 -2.267 15.465 -25.082 491 HD13 LEU 67 3HD1 LEU 67 -3.297 14.321 -25.944 492 HD21 LEU 67 3HD2 LEU 67 -5.850 15.551 -26.040 493 HD22 LEU 67 1HD2 LEU 67 -5.792 17.237 -26.557 494 HD23 LEU 67 2HD2 LEU 67 -5.516 16.824 -24.864 495 H HIS 68 H HIS 68 0.343 17.402 -25.727 496 HA HIS 68 HA HIS 68 0.412 14.739 -26.987 497 HB2 HIS 68 2HB HIS 68 2.526 16.854 -26.817 498 HB3 HIS 68 3HB HIS 68 3.001 15.158 -26.853 499 HD1 HIS 68 HD1 HIS 68 0.895 17.559 -28.919 500 HD2 HIS 68 HD2 HIS 68 3.239 14.156 -29.358 501 HE1 HIS 68 HE1 HIS 68 0.995 17.126 -31.395 502 H TYR 69 H TYR 69 0.599 13.103 -25.609 503 HA TYR 69 HA TYR 69 1.971 13.512 -23.056 504 HB2 TYR 69 2HB TYR 69 -0.453 13.858 -22.656 505 HB3 TYR 69 3HB TYR 69 -0.766 12.242 -23.280 506 HD1 TYR 69 HD1 TYR 69 2.047 13.240 -21.081 507 HD2 TYR 69 HD2 TYR 69 -1.680 11.208 -21.368 508 HE1 TYR 69 HE1 TYR 69 2.388 12.310 -18.830 509 HE2 TYR 69 HE2 TYR 69 -1.350 10.273 -19.117 510 HH TYR 69 HH TYR 69 1.089 11.390 -17.002 511 H GLN 70 H GLN 70 3.502 12.024 -22.936 512 HA GLN 70 HA GLN 70 4.608 10.038 -23.039 513 HB2 GLN 70 2HB GLN 70 1.790 9.277 -22.784 514 HB3 GLN 70 3HB GLN 70 2.781 8.050 -23.562 515 HG2 GLN 70 2HG GLN 70 3.965 9.210 -21.150 516 HG3 GLN 70 3HG GLN 70 2.459 8.333 -20.882 517 HE21 GLN 70 1HE2 GLN 70 2.667 6.256 -20.499 518 HE22 GLN 70 2HE2 GLN 70 3.980 5.250 -20.998 519 H GLY 71 H GLY 71 2.005 9.031 -25.209 520 HA2 GLY 71 2HA GLY 71 3.760 9.430 -27.523 521 HA3 GLY 71 3HA GLY 71 3.216 7.795 -27.175 522 H HIS 72 H HIS 72 0.922 10.110 -26.299 523 HA HIS 72 HA HIS 72 -0.590 9.569 -28.766 524 HB2 HIS 72 2HB HIS 72 -1.454 9.965 -25.914 525 HB3 HIS 72 3HB HIS 72 -2.585 10.208 -27.241 526 HD1 HIS 72 HD1 HIS 72 -0.557 7.522 -25.561 527 HD2 HIS 72 HD2 HIS 72 -3.570 7.897 -28.397 528 HE1 HIS 72 HE1 HIS 72 -1.388 5.184 -25.972 529 H GLU 73 H GLU 73 -1.494 11.222 -29.907 530 HA GLU 73 HA GLU 73 -1.145 13.948 -28.862 531 HB2 GLU 73 2HB GLU 73 -0.392 14.724 -31.037 532 HB3 GLU 73 3HB GLU 73 0.672 13.453 -30.452 533 HG2 GLU 73 2HG GLU 73 -0.617 11.846 -31.874 534 HG3 GLU 73 3HG GLU 73 -1.451 13.235 -32.568 535 H VAL 74 H VAL 74 -2.825 15.300 -29.186 536 HA VAL 74 HA VAL 74 -4.961 14.455 -31.022 537 HB VAL 74 HB VAL 74 -5.499 15.611 -28.288 538 HG11 VAL 74 1HG1 VAL 74 -7.506 15.974 -29.188 539 HG12 VAL 74 2HG1 VAL 74 -7.110 15.040 -30.632 540 HG13 VAL 74 3HG1 VAL 74 -7.716 14.224 -29.191 541 HG21 VAL 74 3HG2 VAL 74 -5.582 12.734 -29.189 542 HG22 VAL 74 1HG2 VAL 74 -4.510 13.434 -27.977 543 HG23 VAL 74 2HG2 VAL 74 -6.243 13.331 -27.667 544 H SER 75 H SER 75 -6.045 16.084 -32.072 545 HA SER 75 HA SER 75 -5.018 18.810 -31.622 546 HB2 SER 75 2HB SER 75 -5.027 19.221 -33.929 547 HB3 SER 75 3HB SER 75 -4.441 17.561 -33.822 548 HG SER 75 HG SER 75 -6.120 17.896 -35.405 549 H PHE 76 H PHE 76 -6.451 20.517 -31.639 550 HA PHE 76 HA PHE 76 -9.230 20.148 -32.274 551 HB2 PHE 76 2HB PHE 76 -8.328 19.744 -29.566 552 HB3 PHE 76 3HB PHE 76 -9.392 21.144 -29.644 553 HD1 PHE 76 HD2 PHE 76 -11.678 20.865 -30.673 554 HD2 PHE 76 HD1 PHE 76 -9.183 17.570 -29.653 555 HE1 PHE 76 HE2 PHE 76 -13.636 19.376 -30.708 556 HE2 PHE 76 HE1 PHE 76 -11.137 16.075 -29.688 557 HZ PHE 76 HZ PHE 76 -13.367 16.978 -30.215 558 H ASP 77 H ASP 77 -10.492 22.200 -31.618 559 HA ASP 77 HA ASP 77 -8.734 24.537 -31.985 560 HB2 ASP 77 2HB ASP 77 -11.576 24.403 -32.974 561 HB3 ASP 77 3HB ASP 77 -10.304 25.529 -33.443 562 H VAL 78 H VAL 78 -9.340 26.483 -30.967 563 HA VAL 78 HA VAL 78 -11.283 26.147 -28.775 564 HB VAL 78 HB VAL 78 -9.065 26.266 -27.843 565 HG11 VAL 78 1HG1 VAL 78 -8.050 27.396 -29.839 566 HG12 VAL 78 2HG1 VAL 78 -8.698 28.918 -29.224 567 HG13 VAL 78 3HG1 VAL 78 -7.511 28.018 -28.279 568 HG21 VAL 78 3HG2 VAL 78 -9.415 27.942 -26.265 569 HG22 VAL 78 1HG2 VAL 78 -10.164 29.024 -27.440 570 HG23 VAL 78 2HG2 VAL 78 -11.039 27.605 -26.865 571 H LEU 79 H LEU 79 -12.654 27.847 -28.297 572 HA LEU 79 HA LEU 79 -12.508 30.238 -29.983 573 HB2 LEU 79 2HB LEU 79 -14.247 28.177 -30.532 574 HB3 LEU 79 3HB LEU 79 -15.235 29.285 -29.583 575 HG LEU 79 HG LEU 79 -13.923 30.866 -31.497 576 HD11 LEU 79 1HD1 LEU 79 -15.162 28.436 -32.777 577 HD12 LEU 79 2HD1 LEU 79 -13.431 28.761 -32.700 578 HD13 LEU 79 3HD1 LEU 79 -14.492 29.845 -33.599 579 HD21 LEU 79 3HD2 LEU 79 -16.744 29.829 -31.285 580 HD22 LEU 79 1HD2 LEU 79 -16.238 31.107 -32.391 581 HD23 LEU 79 2HD2 LEU 79 -16.107 31.346 -30.648 582 H VAL 80 H VAL 80 -12.519 31.942 -28.689 583 HA VAL 80 HA VAL 80 -13.798 31.739 -26.058 584 HB VAL 80 HB VAL 80 -11.406 32.475 -26.216 585 HG11 VAL 80 1HG1 VAL 80 -11.651 33.800 -28.282 586 HG12 VAL 80 2HG1 VAL 80 -12.594 34.990 -27.383 587 HG13 VAL 80 3HG1 VAL 80 -10.900 34.715 -26.975 588 HG21 VAL 80 3HG2 VAL 80 -12.777 32.986 -24.262 589 HG22 VAL 80 1HG2 VAL 80 -11.647 34.298 -24.600 590 HG23 VAL 80 2HG2 VAL 80 -13.347 34.464 -25.038 591 H SER 81 H SER 81 -15.480 32.997 -25.454 592 HA SER 81 HA SER 81 -16.407 35.058 -27.339 593 HB2 SER 81 2HB SER 81 -17.788 32.627 -26.466 594 HB3 SER 81 3HB SER 81 -18.739 34.092 -26.221 595 HG SER 81 HG SER 81 -17.426 33.759 -28.666 596 HA PRO 82 HA PRO 82 -16.959 37.736 -23.909 597 HB2 PRO 82 2HB PRO 82 -19.287 39.004 -24.495 598 HB3 PRO 82 3HB PRO 82 -17.782 39.304 -25.372 599 HG2 PRO 82 2HG PRO 82 -20.103 37.572 -26.129 600 HG3 PRO 82 3HG PRO 82 -19.165 38.689 -27.137 601 HD2 PRO 82 2HD PRO 82 -18.759 36.012 -27.163 602 HD3 PRO 82 3HD PRO 82 -17.449 37.179 -27.433 603 H LYS 83 H LYS 83 -17.424 37.068 -21.916 604 HA LYS 83 HA LYS 83 -19.254 35.172 -21.146 605 HB2 LYS 83 2HB LYS 83 -18.971 35.957 -18.883 606 HB3 LYS 83 3HB LYS 83 -17.430 36.076 -19.721 607 HG2 LYS 83 2HG LYS 83 -17.357 38.138 -18.872 608 HG3 LYS 83 3HG LYS 83 -18.487 38.546 -20.165 609 HD2 LYS 83 2HD LYS 83 -20.357 38.318 -18.712 610 HD3 LYS 83 3HD LYS 83 -19.366 37.591 -17.446 611 HE2 LYS 83 2HE LYS 83 -19.688 39.804 -16.749 612 HE3 LYS 83 3HE LYS 83 -18.067 39.787 -17.442 613 HZ1 LYS 83 3HZ LYS 83 -18.773 40.917 -19.323 614 HZ2 LYS 83 1HZ LYS 83 -19.643 41.676 -18.086 615 HZ3 LYS 83 2HZ LYS 83 -20.404 40.538 -19.080 616 H ALA 84 H ALA 84 -21.226 35.410 -19.820 617 HA ALA 84 HA ALA 84 -22.764 37.765 -19.784 618 HB1 ALA 84 1HB ALA 84 -24.533 36.757 -21.452 619 HB2 ALA 84 2HB ALA 84 -23.201 37.759 -22.029 620 HB3 ALA 84 3HB ALA 84 -23.103 36.002 -22.157 621 H ALA 85 H ALA 85 -22.451 36.344 -17.706 622 HA ALA 85 HA ALA 85 -25.020 35.082 -17.229 623 HB1 ALA 85 1HB ALA 85 -23.690 33.164 -16.037 624 HB2 ALA 85 2HB ALA 85 -24.037 33.079 -17.764 625 HB3 ALA 85 3HB ALA 85 -22.442 33.588 -17.210 626 H LEU 86 H LEU 86 -24.979 34.255 -14.796 627 HA LEU 86 HA LEU 86 -24.128 36.568 -13.237 628 HB2 LEU 86 2HB LEU 86 -26.372 34.868 -13.206 629 HB3 LEU 86 3HB LEU 86 -25.509 34.584 -11.696 630 HG LEU 86 HG LEU 86 -25.582 37.094 -11.342 631 HD11 LEU 86 1HD1 LEU 86 -26.800 38.470 -12.675 632 HD12 LEU 86 2HD1 LEU 86 -27.907 37.192 -13.177 633 HD13 LEU 86 3HD1 LEU 86 -26.298 37.295 -13.892 634 HD21 LEU 86 3HD2 LEU 86 -28.049 37.006 -10.711 635 HD22 LEU 86 1HD2 LEU 86 -26.995 35.780 -10.006 636 HD23 LEU 86 2HD2 LEU 86 -28.041 35.368 -11.365 637 H ASN 87 H ASN 87 -23.548 35.919 -10.846 638 HA ASN 87 HA ASN 87 -21.733 33.622 -10.813 639 HB2 ASN 87 2HB ASN 87 -20.928 36.428 -10.013 640 HB3 ASN 87 3HB ASN 87 -19.939 34.985 -9.811 641 HD21 ASN 87 1HD2 ASN 87 -19.829 37.568 -11.469 642 HD22 ASN 87 2HD2 ASN 87 -19.388 37.008 -13.043 643 H ASP 88 H ASP 88 -21.686 32.560 -8.911 644 HA ASP 88 HA ASP 88 -23.172 33.762 -6.668 645 HB2 ASP 88 2HB ASP 88 -22.796 30.825 -7.288 646 HB3 ASP 88 3HB ASP 88 -23.761 31.498 -5.978 647 H GLU 89 H GLU 89 -22.525 32.343 -4.563 648 HA GLU 89 HA GLU 89 -19.754 33.026 -4.114 649 HB2 GLU 89 2HB GLU 89 -21.981 32.038 -2.349 650 HB3 GLU 89 3HB GLU 89 -20.325 32.129 -1.766 651 HG2 GLU 89 2HG GLU 89 -21.360 34.562 -3.057 652 HG3 GLU 89 3HG GLU 89 -22.117 34.117 -1.530 Start of MODEL 17 1 H SER 1 H SER 1 0.399 3.739 0.403 2 HA SER 1 HA SER 1 3.055 4.590 -0.440 3 HB2 SER 1 2HB SER 1 1.314 2.233 -0.966 4 HB3 SER 1 3HB SER 1 2.466 2.685 -2.222 5 HG SER 1 HG SER 1 3.956 2.771 -0.224 6 HA PRO 2 HA PRO 2 1.821 7.051 -3.855 7 HB2 PRO 2 2HB PRO 2 3.624 6.355 -5.762 8 HB3 PRO 2 3HB PRO 2 4.050 7.321 -4.345 9 HG2 PRO 2 2HG PRO 2 4.434 4.392 -4.825 10 HG3 PRO 2 3HG PRO 2 5.553 5.563 -4.103 11 HD2 PRO 2 2HD PRO 2 4.069 3.857 -2.613 12 HD3 PRO 2 3HD PRO 2 4.512 5.481 -2.048 13 H LYS 3 H LYS 3 0.508 7.034 -5.631 14 HA LYS 3 HA LYS 3 -0.197 4.386 -6.716 15 HB2 LYS 3 2HB LYS 3 -2.078 5.258 -5.542 16 HB3 LYS 3 3HB LYS 3 -1.877 6.850 -6.263 17 HG2 LYS 3 2HG LYS 3 -2.687 6.133 -8.342 18 HG3 LYS 3 3HG LYS 3 -2.503 4.429 -7.920 19 HD2 LYS 3 2HD LYS 3 -4.415 6.314 -6.547 20 HD3 LYS 3 3HD LYS 3 -4.862 5.253 -7.885 21 HE2 LYS 3 2HE LYS 3 -5.015 3.478 -6.542 22 HE3 LYS 3 3HE LYS 3 -3.461 3.827 -5.784 23 HZ1 LYS 3 3HZ LYS 3 -6.076 4.284 -4.788 24 HZ2 LYS 3 1HZ LYS 3 -5.206 5.735 -4.831 25 HZ3 LYS 3 2HZ LYS 3 -4.592 4.405 -3.985 26 H THR 4 H THR 4 0.937 4.208 -8.565 27 HA THR 4 HA THR 4 0.731 6.419 -10.505 28 HB THR 4 HB THR 4 2.834 4.806 -11.361 29 HG1 THR 4 HG1 THR 4 2.900 5.173 -8.536 30 HG21 THR 4 3HG2 THR 4 4.131 6.844 -10.174 31 HG22 THR 4 1HG2 THR 4 2.492 7.495 -10.182 32 HG23 THR 4 2HG2 THR 4 3.255 7.009 -11.696 33 H ILE 5 H ILE 5 -0.553 5.969 -12.159 34 HA ILE 5 HA ILE 5 -1.535 3.362 -12.699 35 HB ILE 5 HB ILE 5 -2.838 4.308 -14.390 36 HG12 ILE 5 2HG1 ILE 5 -1.062 5.267 -15.746 37 HG13 ILE 5 3HG1 ILE 5 -2.311 6.476 -15.473 38 HG21 ILE 5 1HG2 ILE 5 -2.733 5.509 -11.927 39 HG22 ILE 5 2HG2 ILE 5 -2.659 6.881 -13.030 40 HG23 ILE 5 3HG2 ILE 5 -4.001 5.742 -13.129 41 HD11 ILE 5 3HD1 ILE 5 -0.910 7.424 -13.660 42 HD12 ILE 5 1HD1 ILE 5 0.361 6.287 -14.110 43 HD13 ILE 5 2HD1 ILE 5 -0.174 7.513 -15.260 44 H LEU 6 H LEU 6 -1.413 2.330 -14.871 45 HA LEU 6 HA LEU 6 1.313 2.553 -15.968 46 HB2 LEU 6 2HB LEU 6 0.274 0.391 -14.720 47 HB3 LEU 6 3HB LEU 6 -0.177 0.046 -16.388 48 HG LEU 6 HG LEU 6 1.900 -1.061 -15.836 49 HD11 LEU 6 1HD1 LEU 6 2.476 1.292 -17.626 50 HD12 LEU 6 2HD1 LEU 6 1.552 -0.128 -18.115 51 HD13 LEU 6 3HD1 LEU 6 3.247 -0.294 -17.659 52 HD21 LEU 6 3HD2 LEU 6 3.174 -0.082 -14.284 53 HD22 LEU 6 1HD2 LEU 6 2.508 1.517 -14.619 54 HD23 LEU 6 2HD2 LEU 6 3.824 0.885 -15.609 55 H GLY 7 H GLY 7 -1.968 1.452 -16.847 56 HA2 GLY 7 2HA GLY 7 -1.396 2.017 -19.654 57 HA3 GLY 7 3HA GLY 7 -2.824 1.208 -19.025 58 H ILE 8 H ILE 8 -2.449 3.517 -20.903 59 HA ILE 8 HA ILE 8 -4.155 5.438 -19.459 60 HB ILE 8 HB ILE 8 -1.920 6.377 -19.960 61 HG12 ILE 8 2HG1 ILE 8 -4.285 7.608 -20.135 62 HG13 ILE 8 3HG1 ILE 8 -2.769 8.446 -20.443 63 HG21 ILE 8 1HG2 ILE 8 -1.313 5.207 -21.940 64 HG22 ILE 8 2HG2 ILE 8 -2.726 5.811 -22.804 65 HG23 ILE 8 3HG2 ILE 8 -1.425 6.916 -22.360 66 HD11 ILE 8 3HD1 ILE 8 -4.729 8.723 -22.092 67 HD12 ILE 8 1HD1 ILE 8 -3.102 8.474 -22.726 68 HD13 ILE 8 2HD1 ILE 8 -4.246 7.132 -22.679 69 H GLU 9 H GLU 9 -5.890 6.336 -20.574 70 HA GLU 9 HA GLU 9 -6.426 5.320 -23.271 71 HB2 GLU 9 2HB GLU 9 -7.643 4.247 -21.025 72 HB3 GLU 9 3HB GLU 9 -8.825 5.407 -21.614 73 HG2 GLU 9 2HG GLU 9 -8.370 4.275 -23.917 74 HG3 GLU 9 3HG GLU 9 -7.769 2.949 -22.923 75 H VAL 10 H VAL 10 -7.065 6.885 -24.595 76 HA VAL 10 HA VAL 10 -7.428 9.551 -23.675 77 HB VAL 10 HB VAL 10 -6.458 9.176 -25.851 78 HG11 VAL 10 1HG1 VAL 10 -7.185 7.497 -27.112 79 HG12 VAL 10 2HG1 VAL 10 -8.643 7.333 -26.133 80 HG13 VAL 10 3HG1 VAL 10 -8.614 8.458 -27.491 81 HG21 VAL 10 3HG2 VAL 10 -8.408 11.021 -25.301 82 HG22 VAL 10 1HG2 VAL 10 -7.353 11.036 -26.715 83 HG23 VAL 10 2HG2 VAL 10 -8.962 10.322 -26.822 84 H SER 11 H SER 11 -9.237 10.714 -23.314 85 HA SER 11 HA SER 11 -11.833 9.703 -24.141 86 HB2 SER 11 2HB SER 11 -11.177 8.743 -21.820 87 HB3 SER 11 3HB SER 11 -11.476 10.378 -21.232 88 HG SER 11 HG SER 11 -13.253 8.454 -22.103 89 H GLN 12 H GLN 12 -10.081 12.047 -24.636 90 HA GLN 12 HA GLN 12 -11.531 14.258 -23.431 91 HB2 GLN 12 2HB GLN 12 -9.931 15.661 -24.751 92 HB3 GLN 12 3HB GLN 12 -9.163 14.560 -23.615 93 HG2 GLN 12 2HG GLN 12 -9.472 13.315 -26.191 94 HG3 GLN 12 3HG GLN 12 -8.617 14.851 -26.330 95 HE21 GLN 12 1HE2 GLN 12 -6.767 13.616 -26.939 96 HE22 GLN 12 2HE2 GLN 12 -5.795 12.848 -25.735 97 H GLU 13 H GLU 13 -13.091 15.416 -24.390 98 HA GLU 13 HA GLU 13 -13.812 14.689 -27.146 99 HB2 GLU 13 2HB GLU 13 -15.352 15.190 -24.722 100 HB3 GLU 13 3HB GLU 13 -15.938 16.124 -26.091 101 HG2 GLU 13 2HG GLU 13 -17.094 14.320 -26.658 102 HG3 GLU 13 3HG GLU 13 -15.557 13.617 -27.158 103 HA PRO 14 HA PRO 14 -12.953 18.714 -28.666 104 HB2 PRO 14 2HB PRO 14 -14.910 19.021 -30.522 105 HB3 PRO 14 3HB PRO 14 -13.537 17.929 -30.745 106 HG2 PRO 14 2HG PRO 14 -16.331 17.305 -29.868 107 HG3 PRO 14 3HG PRO 14 -15.295 16.430 -31.010 108 HD2 PRO 14 2HD PRO 14 -15.640 15.628 -28.447 109 HD3 PRO 14 3HD PRO 14 -14.122 15.373 -29.331 110 H LYS 15 H LYS 15 -13.314 20.691 -27.885 111 HA LYS 15 HA LYS 15 -15.809 21.959 -27.750 112 HB2 LYS 15 2HB LYS 15 -15.222 20.238 -25.514 113 HB3 LYS 15 3HB LYS 15 -15.305 21.912 -24.979 114 HG2 LYS 15 2HG LYS 15 -17.443 20.558 -26.607 115 HG3 LYS 15 3HG LYS 15 -17.458 20.676 -24.846 116 HD2 LYS 15 2HD LYS 15 -17.196 23.209 -25.229 117 HD3 LYS 15 3HD LYS 15 -17.698 22.863 -26.886 118 HE2 LYS 15 2HE LYS 15 -19.456 21.521 -25.083 119 HE3 LYS 15 3HE LYS 15 -19.319 23.209 -24.593 120 HZ1 LYS 15 3HZ LYS 15 -20.908 22.232 -26.586 121 HZ2 LYS 15 1HZ LYS 15 -19.611 22.926 -27.421 122 HZ3 LYS 15 2HZ LYS 15 -20.513 23.858 -26.335 123 H LYS 16 H LYS 16 -13.272 22.001 -25.270 124 HA LYS 16 HA LYS 16 -11.985 23.732 -24.504 125 HB2 LYS 16 2HB LYS 16 -11.449 23.358 -27.373 126 HB3 LYS 16 3HB LYS 16 -10.917 24.907 -26.730 127 HG2 LYS 16 2HG LYS 16 -10.217 22.470 -25.194 128 HG3 LYS 16 3HG LYS 16 -9.370 22.760 -26.715 129 HD2 LYS 16 2HD LYS 16 -8.169 23.713 -24.795 130 HD3 LYS 16 3HD LYS 16 -8.680 24.958 -25.937 131 HE2 LYS 16 2HE LYS 16 -10.577 25.505 -24.516 132 HE3 LYS 16 3HE LYS 16 -10.130 24.219 -23.396 133 HZ1 LYS 16 3HZ LYS 16 -9.412 26.458 -22.683 134 HZ2 LYS 16 1HZ LYS 16 -8.400 26.544 -24.037 135 HZ3 LYS 16 2HZ LYS 16 -8.126 25.371 -22.850 136 H ASP 17 H ASP 17 -14.134 24.779 -23.945 137 HA ASP 17 HA ASP 17 -14.297 27.388 -25.302 138 HB2 ASP 17 2HB ASP 17 -16.331 25.427 -25.095 139 HB3 ASP 17 3HB ASP 17 -16.782 26.750 -24.023 140 H TYR 18 H TYR 18 -13.813 29.025 -24.010 141 HA TYR 18 HA TYR 18 -14.504 28.859 -21.165 142 HB2 TYR 18 2HB TYR 18 -12.380 29.311 -20.395 143 HB3 TYR 18 3HB TYR 18 -12.000 28.319 -21.798 144 HD1 TYR 18 HD2 TYR 18 -11.279 29.443 -23.925 145 HD2 TYR 18 HD1 TYR 18 -11.661 31.561 -20.255 146 HE1 TYR 18 HE2 TYR 18 -9.885 31.255 -24.833 147 HE2 TYR 18 HE1 TYR 18 -10.269 33.379 -21.153 148 HH TYR 18 HH TYR 18 -9.588 33.750 -24.382 149 H LEU 19 H LEU 19 -14.704 30.902 -20.111 150 HA LEU 19 HA LEU 19 -15.559 33.002 -21.935 151 HB2 LEU 19 2HB LEU 19 -16.095 32.253 -19.143 152 HB3 LEU 19 3HB LEU 19 -16.039 33.986 -19.455 153 HG LEU 19 HG LEU 19 -17.789 32.124 -21.041 154 HD11 LEU 19 1HD1 LEU 19 -19.165 33.719 -19.058 155 HD12 LEU 19 2HD1 LEU 19 -18.050 32.570 -18.319 156 HD13 LEU 19 3HD1 LEU 19 -19.303 31.998 -19.420 157 HD21 LEU 19 3HD2 LEU 19 -18.941 34.630 -20.823 158 HD22 LEU 19 1HD2 LEU 19 -18.070 33.994 -22.218 159 HD23 LEU 19 2HD2 LEU 19 -17.220 34.968 -21.018 160 H VAL 20 H VAL 20 -14.741 35.079 -21.972 161 HA VAL 20 HA VAL 20 -12.022 35.455 -21.658 162 HB VAL 20 HB VAL 20 -14.097 37.642 -21.489 163 HG11 VAL 20 1HG1 VAL 20 -12.340 39.046 -22.453 164 HG12 VAL 20 2HG1 VAL 20 -11.839 38.359 -20.906 165 HG13 VAL 20 3HG1 VAL 20 -11.226 37.679 -22.415 166 HG21 VAL 20 3HG2 VAL 20 -13.009 37.413 -24.092 167 HG22 VAL 20 1HG2 VAL 20 -13.563 35.812 -23.603 168 HG23 VAL 20 2HG2 VAL 20 -14.680 37.177 -23.581 169 H GLY 21 H GLY 21 -10.692 36.073 -20.043 170 HA2 GLY 21 2HA GLY 21 -10.090 37.048 -17.995 171 HA3 GLY 21 3HA GLY 21 -11.794 37.196 -17.590 172 H ASP 22 H ASP 22 -11.915 34.225 -18.534 173 HA ASP 22 HA ASP 22 -11.516 33.153 -15.868 174 HB2 ASP 22 2HB ASP 22 -12.610 31.823 -18.356 175 HB3 ASP 22 3HB ASP 22 -12.656 31.158 -16.725 176 H SER 23 H SER 23 -9.905 33.180 -18.901 177 HA SER 23 HA SER 23 -7.981 32.230 -19.656 178 HB2 SER 23 2HB SER 23 -7.228 31.354 -16.900 179 HB3 SER 23 3HB SER 23 -6.232 32.092 -18.154 180 HG SER 23 HG SER 23 -6.781 33.473 -16.323 181 H LEU 24 H LEU 24 -8.960 30.539 -20.776 182 HA LEU 24 HA LEU 24 -9.331 28.375 -21.364 183 HB2 LEU 24 2HB LEU 24 -7.597 27.733 -18.983 184 HB3 LEU 24 3HB LEU 24 -7.994 26.645 -20.312 185 HG LEU 24 HG LEU 24 -6.829 28.520 -21.752 186 HD11 LEU 24 1HD1 LEU 24 -4.782 29.205 -20.233 187 HD12 LEU 24 2HD1 LEU 24 -5.996 29.094 -18.959 188 HD13 LEU 24 3HD1 LEU 24 -6.241 30.192 -20.317 189 HD21 LEU 24 3HD2 LEU 24 -5.029 26.774 -20.117 190 HD22 LEU 24 1HD2 LEU 24 -4.939 27.177 -21.832 191 HD23 LEU 24 2HD2 LEU 24 -6.183 26.070 -21.251 192 H ASP 25 H ASP 25 -10.400 26.349 -20.676 193 HA ASP 25 HA ASP 25 -11.553 26.035 -18.127 194 HB2 ASP 25 2HB ASP 25 -12.814 28.066 -18.902 195 HB3 ASP 25 3HB ASP 25 -13.488 27.083 -20.199 196 H LEU 26 H LEU 26 -10.274 24.508 -20.228 197 HA LEU 26 HA LEU 26 -12.003 22.906 -21.703 198 HB2 LEU 26 2HB LEU 26 -9.545 22.969 -21.950 199 HB3 LEU 26 3HB LEU 26 -9.395 22.082 -20.435 200 HG LEU 26 HG LEU 26 -10.391 20.128 -21.413 201 HD11 LEU 26 1HD1 LEU 26 -10.688 20.445 -24.071 202 HD12 LEU 26 2HD1 LEU 26 -11.193 22.037 -23.506 203 HD13 LEU 26 3HD1 LEU 26 -12.008 20.591 -22.910 204 HD21 LEU 26 3HD2 LEU 26 -8.778 19.797 -23.376 205 HD22 LEU 26 1HD2 LEU 26 -8.087 20.146 -21.791 206 HD23 LEU 26 2HD2 LEU 26 -8.201 21.422 -23.004 207 H SER 27 H SER 27 -13.613 21.667 -21.030 208 HA SER 27 HA SER 27 -13.349 20.301 -18.431 209 HB2 SER 27 2HB SER 27 -15.330 22.083 -19.249 210 HB3 SER 27 3HB SER 27 -16.079 20.496 -19.420 211 HG SER 27 HG SER 27 -14.944 21.661 -17.105 212 H GLU 28 H GLU 28 -14.210 20.008 -21.802 213 HA GLU 28 HA GLU 28 -15.098 17.272 -21.552 214 HB2 GLU 28 2HB GLU 28 -14.591 19.051 -23.937 215 HB3 GLU 28 3HB GLU 28 -15.118 17.380 -24.079 216 HG2 GLU 28 2HG GLU 28 -16.607 19.653 -22.793 217 HG3 GLU 28 3HG GLU 28 -17.020 18.808 -24.284 218 H GLY 29 H GLY 29 -12.121 18.900 -21.953 219 HA2 GLY 29 2HA GLY 29 -10.766 16.719 -23.285 220 HA3 GLY 29 3HA GLY 29 -10.026 18.187 -22.665 221 H ARG 30 H ARG 30 -11.626 15.235 -21.472 222 HA ARG 30 HA ARG 30 -9.714 15.225 -19.232 223 HB2 ARG 30 2HB ARG 30 -11.315 14.121 -17.902 224 HB3 ARG 30 3HB ARG 30 -12.214 15.372 -18.749 225 HG2 ARG 30 2HG ARG 30 -12.411 13.200 -20.432 226 HG3 ARG 30 3HG ARG 30 -12.515 12.489 -18.821 227 HD2 ARG 30 2HD ARG 30 -14.293 14.092 -18.253 228 HD3 ARG 30 3HD ARG 30 -14.205 14.748 -19.887 229 HE ARG 30 HE ARG 30 -15.399 12.943 -20.642 230 HH11 ARG 30 1HH1 ARG 30 -14.239 12.293 -17.424 231 HH12 ARG 30 2HH1 ARG 30 -15.162 10.837 -17.245 232 HH21 ARG 30 1HH2 ARG 30 -16.618 11.028 -20.418 233 HH22 ARG 30 2HH2 ARG 30 -16.514 10.118 -18.949 234 H PHE 31 H PHE 31 -8.825 13.201 -18.565 235 HA PHE 31 HA PHE 31 -8.898 11.101 -20.626 236 HB2 PHE 31 2HB PHE 31 -6.400 10.770 -19.808 237 HB3 PHE 31 3HB PHE 31 -6.799 11.923 -21.078 238 HD1 PHE 31 HD1 PHE 31 -6.458 11.745 -17.370 239 HD2 PHE 31 HD2 PHE 31 -6.001 14.071 -20.906 240 HE1 PHE 31 HE1 PHE 31 -5.431 13.548 -16.048 241 HE2 PHE 31 HE2 PHE 31 -4.972 15.877 -19.589 242 HZ PHE 31 HZ PHE 31 -4.685 15.617 -17.157 243 H ALA 32 H ALA 32 -8.605 8.969 -19.902 244 HA ALA 32 HA ALA 32 -9.096 8.620 -17.022 245 HB1 ALA 32 1HB ALA 32 -10.284 6.644 -17.510 246 HB2 ALA 32 2HB ALA 32 -10.820 7.828 -18.703 247 HB3 ALA 32 3HB ALA 32 -9.658 6.581 -19.158 248 H VAL 33 H VAL 33 -7.880 7.210 -15.817 249 HA VAL 33 HA VAL 33 -5.624 5.891 -17.175 250 HB VAL 33 HB VAL 33 -4.291 6.386 -15.060 251 HG11 VAL 33 1HG1 VAL 33 -3.349 8.236 -16.040 252 HG12 VAL 33 2HG1 VAL 33 -4.269 7.584 -17.397 253 HG13 VAL 33 3HG1 VAL 33 -4.909 8.939 -16.467 254 HG21 VAL 33 3HG2 VAL 33 -6.310 8.594 -14.718 255 HG22 VAL 33 1HG2 VAL 33 -6.330 7.106 -13.771 256 HG23 VAL 33 2HG2 VAL 33 -4.948 8.197 -13.669 257 H ALA 34 H ALA 34 -5.162 3.854 -16.524 258 HA ALA 34 HA ALA 34 -6.917 2.697 -14.471 259 HB1 ALA 34 1HB ALA 34 -5.306 0.954 -16.247 260 HB2 ALA 34 2HB ALA 34 -6.950 0.749 -15.641 261 HB3 ALA 34 3HB ALA 34 -6.635 1.856 -16.977 262 H TYR 35 H TYR 35 -6.098 2.108 -12.577 263 HA TYR 35 HA TYR 35 -3.224 2.212 -12.171 264 HB2 TYR 35 2HB TYR 35 -4.871 3.273 -10.586 265 HB3 TYR 35 3HB TYR 35 -5.373 1.651 -10.121 266 HD1 TYR 35 HD1 TYR 35 -1.913 2.777 -10.844 267 HD2 TYR 35 HD2 TYR 35 -4.711 1.604 -7.861 268 HE1 TYR 35 HE1 TYR 35 -0.100 2.697 -9.183 269 HE2 TYR 35 HE2 TYR 35 -2.907 1.522 -6.192 270 HH TYR 35 HH TYR 35 -0.738 1.769 -5.811 271 H SER 36 H SER 36 -1.969 0.520 -11.373 272 HA SER 36 HA SER 36 -2.564 -2.044 -12.365 273 HB2 SER 36 2HB SER 36 -0.286 -0.824 -11.569 274 HB3 SER 36 3HB SER 36 -0.582 -1.856 -10.170 275 HG SER 36 HG SER 36 0.118 -3.454 -11.321 276 H ASN 37 H ASN 37 -3.520 -0.483 -9.505 277 HA ASN 37 HA ASN 37 -3.980 -2.970 -8.051 278 HB2 ASN 37 2HB ASN 37 -3.123 -0.754 -7.012 279 HB3 ASN 37 3HB ASN 37 -4.805 -0.239 -7.100 280 HD21 ASN 37 1HD2 ASN 37 -3.121 -3.237 -6.212 281 HD22 ASN 37 2HD2 ASN 37 -3.930 -3.441 -4.699 282 H ASP 38 H ASP 38 -5.437 -2.201 -10.543 283 HA ASP 38 HA ASP 38 -7.537 -2.379 -11.397 284 HB2 ASP 38 2HB ASP 38 -7.718 -3.775 -8.786 285 HB3 ASP 38 3HB ASP 38 -9.244 -3.332 -9.545 286 H THR 39 H THR 39 -7.311 0.050 -11.257 287 HA THR 39 HA THR 39 -9.711 1.106 -10.007 288 HB THR 39 HB THR 39 -7.564 2.988 -9.534 289 HG1 THR 39 HG1 THR 39 -7.392 0.711 -7.876 290 HG21 THR 39 3HG2 THR 39 -9.250 1.633 -7.453 291 HG22 THR 39 1HG2 THR 39 -9.946 2.813 -8.562 292 HG23 THR 39 2HG2 THR 39 -8.638 3.287 -7.479 293 H MET 40 H MET 40 -10.292 3.233 -10.806 294 HA MET 40 HA MET 40 -8.848 4.118 -13.193 295 HB2 MET 40 2HB MET 40 -11.100 2.559 -13.423 296 HB3 MET 40 3HB MET 40 -11.762 4.186 -13.520 297 HG2 MET 40 2HG MET 40 -9.831 4.545 -15.245 298 HG3 MET 40 3HG MET 40 -9.888 2.788 -15.360 299 HE1 MET 40 3HE MET 40 -12.867 1.945 -17.343 300 HE2 MET 40 1HE MET 40 -11.357 1.490 -16.553 301 HE3 MET 40 2HE MET 40 -12.822 1.710 -15.596 302 H GLU 41 H GLU 41 -8.723 6.277 -13.357 303 HA GLU 41 HA GLU 41 -10.614 7.919 -11.823 304 HB2 GLU 41 2HB GLU 41 -7.728 7.668 -11.420 305 HB3 GLU 41 3HB GLU 41 -8.250 9.331 -11.648 306 HG2 GLU 41 2HG GLU 41 -9.627 7.527 -9.697 307 HG3 GLU 41 3HG GLU 41 -8.153 8.392 -9.268 308 H GLU 42 H GLU 42 -11.346 9.675 -12.871 309 HA GLU 42 HA GLU 42 -10.032 10.387 -15.412 310 HB2 GLU 42 2HB GLU 42 -12.221 10.970 -16.305 311 HB3 GLU 42 3HB GLU 42 -12.210 9.299 -15.759 312 HG2 GLU 42 2HG GLU 42 -13.065 10.725 -13.547 313 HG3 GLU 42 3HG GLU 42 -13.857 11.516 -14.908 314 H HIS 43 H HIS 43 -9.818 12.549 -15.928 315 HA HIS 43 HA HIS 43 -10.906 14.587 -14.187 316 HB2 HIS 43 2HB HIS 43 -8.221 13.592 -13.828 317 HB3 HIS 43 3HB HIS 43 -8.183 15.286 -14.308 318 HD1 HIS 43 HD1 HIS 43 -10.715 16.242 -12.787 319 HD2 HIS 43 HD2 HIS 43 -7.730 13.858 -11.155 320 HE1 HIS 43 HE1 HIS 43 -10.857 16.594 -10.301 321 H SER 44 H SER 44 -11.052 16.566 -15.165 322 HA SER 44 HA SER 44 -10.109 16.686 -17.952 323 HB2 SER 44 2HB SER 44 -12.120 18.665 -17.296 324 HB3 SER 44 3HB SER 44 -12.148 17.417 -18.541 325 HG SER 44 HG SER 44 -13.804 16.990 -17.123 326 H PHE 45 H PHE 45 -8.594 18.121 -18.436 327 HA PHE 45 HA PHE 45 -7.027 19.759 -18.163 328 HB2 PHE 45 2HB PHE 45 -9.188 20.988 -18.777 329 HB3 PHE 45 3HB PHE 45 -9.291 21.425 -17.075 330 HD1 PHE 45 HD1 PHE 45 -6.388 21.250 -19.403 331 HD2 PHE 45 HD2 PHE 45 -8.833 23.674 -16.900 332 HE1 PHE 45 HE1 PHE 45 -4.899 23.166 -19.810 333 HE2 PHE 45 HE2 PHE 45 -7.348 25.594 -17.304 334 HZ PHE 45 HZ PHE 45 -5.379 25.342 -18.761 335 H THR 46 H THR 46 -7.310 17.979 -15.928 336 HA THR 46 HA THR 46 -6.760 19.755 -13.649 337 HB THR 46 HB THR 46 -6.925 16.880 -13.087 338 HG1 THR 46 HG1 THR 46 -9.319 18.227 -13.823 339 HG21 THR 46 3HG2 THR 46 -8.754 18.036 -11.512 340 HG22 THR 46 1HG2 THR 46 -7.801 19.461 -11.922 341 HG23 THR 46 2HG2 THR 46 -7.028 18.074 -11.153 342 H ASP 47 H ASP 47 -5.650 16.551 -14.767 343 HA ASP 47 HA ASP 47 -3.092 16.886 -13.517 344 HB2 ASP 47 2HB ASP 47 -4.394 14.689 -13.966 345 HB3 ASP 47 3HB ASP 47 -3.704 14.792 -15.584 346 H GLU 48 H GLU 48 -1.054 16.976 -14.567 347 HA GLU 48 HA GLU 48 -1.148 18.481 -17.069 348 HB2 GLU 48 2HB GLU 48 0.408 18.671 -14.723 349 HB3 GLU 48 3HB GLU 48 1.507 18.180 -16.004 350 HG2 GLU 48 2HG GLU 48 -0.221 20.274 -16.931 351 HG3 GLU 48 3HG GLU 48 0.578 20.754 -15.436 352 H GLY 49 H GLY 49 -1.482 15.506 -16.836 353 HA2 GLY 49 2HA GLY 49 0.805 14.164 -17.750 354 HA3 GLY 49 3HA GLY 49 -0.852 13.635 -18.005 355 H VAL 50 H VAL 50 -1.637 15.996 -19.493 356 HA VAL 50 HA VAL 50 -0.227 15.405 -22.011 357 HB VAL 50 HB VAL 50 -2.238 16.037 -23.196 358 HG11 VAL 50 1HG1 VAL 50 -1.924 13.753 -21.782 359 HG12 VAL 50 2HG1 VAL 50 -3.478 14.313 -21.160 360 HG13 VAL 50 3HG1 VAL 50 -3.261 14.054 -22.891 361 HG21 VAL 50 3HG2 VAL 50 -3.190 17.770 -21.951 362 HG22 VAL 50 1HG2 VAL 50 -4.337 16.442 -21.775 363 HG23 VAL 50 2HG2 VAL 50 -3.214 16.817 -20.468 364 H GLU 51 H GLU 51 0.669 17.016 -23.179 365 HA GLU 51 HA GLU 51 0.528 19.720 -22.033 366 HB2 GLU 51 2HB GLU 51 2.640 18.307 -23.646 367 HB3 GLU 51 3HB GLU 51 2.639 20.054 -23.457 368 HG2 GLU 51 2HG GLU 51 2.340 19.033 -20.878 369 HG3 GLU 51 3HG GLU 51 3.555 18.017 -21.651 370 H ILE 52 H ILE 52 -0.278 21.370 -23.179 371 HA ILE 52 HA ILE 52 -1.138 20.814 -25.936 372 HB ILE 52 HB ILE 52 -2.139 23.143 -24.340 373 HG12 ILE 52 2HG1 ILE 52 -2.443 21.244 -22.854 374 HG13 ILE 52 3HG1 ILE 52 -3.999 21.713 -23.530 375 HG21 ILE 52 1HG2 ILE 52 -3.326 21.423 -26.512 376 HG22 ILE 52 2HG2 ILE 52 -4.153 22.760 -25.716 377 HG23 ILE 52 3HG2 ILE 52 -2.712 23.067 -26.684 378 HD11 ILE 52 3HD1 ILE 52 -2.295 19.369 -24.327 379 HD12 ILE 52 1HD1 ILE 52 -3.864 19.337 -23.522 380 HD13 ILE 52 2HD1 ILE 52 -3.742 19.882 -25.195 381 H SER 53 H SER 53 -0.504 22.076 -27.607 382 HA SER 53 HA SER 53 0.970 24.541 -27.058 383 HB2 SER 53 2HB SER 53 2.206 22.077 -27.845 384 HB3 SER 53 3HB SER 53 2.361 23.240 -29.162 385 HG SER 53 HG SER 53 4.007 23.848 -27.962 386 H GLY 54 H GLY 54 0.707 26.106 -28.582 387 HA2 GLY 54 2HA GLY 54 0.354 26.651 -30.960 388 HA3 GLY 54 3HA GLY 54 -0.833 25.355 -30.991 389 H TYR 55 H TYR 55 -1.791 26.206 -28.271 390 HA TYR 55 HA TYR 55 -3.710 28.150 -29.239 391 HB2 TYR 55 2HB TYR 55 -4.993 26.838 -27.943 392 HB3 TYR 55 3HB TYR 55 -3.598 26.163 -27.109 393 HD1 TYR 55 HD1 TYR 55 -6.160 28.780 -27.056 394 HD2 TYR 55 HD2 TYR 55 -2.801 27.132 -25.030 395 HE1 TYR 55 HE1 TYR 55 -6.753 30.062 -25.042 396 HE2 TYR 55 HE2 TYR 55 -3.385 28.408 -23.011 397 HH TYR 55 HH TYR 55 -6.276 30.468 -22.911 398 H ASP 56 H ASP 56 -3.974 30.217 -28.504 399 HA ASP 56 HA ASP 56 -1.760 31.293 -26.898 400 HB2 ASP 56 2HB ASP 56 -3.673 32.910 -28.576 401 HB3 ASP 56 3HB ASP 56 -2.088 33.383 -27.969 402 H ALA 57 H ALA 57 -2.119 32.234 -24.977 403 HA ALA 57 HA ALA 57 -4.689 31.968 -23.751 404 HB1 ALA 57 1HB ALA 57 -3.131 31.677 -22.139 405 HB2 ALA 57 2HB ALA 57 -1.983 32.784 -22.893 406 HB3 ALA 57 3HB ALA 57 -3.333 33.420 -21.953 407 H GLN 58 H GLN 58 -6.311 33.368 -23.820 408 HA GLN 58 HA GLN 58 -7.494 35.312 -23.929 409 HB2 GLN 58 2HB GLN 58 -5.171 36.023 -22.582 410 HB3 GLN 58 3HB GLN 58 -5.291 37.211 -23.873 411 HG2 GLN 58 2HG GLN 58 -7.834 36.787 -22.562 412 HG3 GLN 58 3HG GLN 58 -6.578 37.280 -21.427 413 HE21 GLN 58 1HE2 GLN 58 -8.782 38.295 -23.757 414 HE22 GLN 58 2HE2 GLN 58 -8.252 39.931 -23.912 415 H LYS 59 H LYS 59 -5.923 34.050 -26.233 416 HA LYS 59 HA LYS 59 -6.546 36.163 -28.153 417 HB2 LYS 59 2HB LYS 59 -4.173 34.802 -29.031 418 HB3 LYS 59 3HB LYS 59 -4.439 36.524 -28.797 419 HG2 LYS 59 2HG LYS 59 -4.002 36.100 -26.330 420 HG3 LYS 59 3HG LYS 59 -3.406 34.514 -26.824 421 HD2 LYS 59 2HD LYS 59 -1.437 35.631 -26.941 422 HD3 LYS 59 3HD LYS 59 -2.042 36.049 -28.546 423 HE2 LYS 59 2HE LYS 59 -3.127 38.067 -27.316 424 HE3 LYS 59 3HE LYS 59 -1.939 37.714 -26.063 425 HZ1 LYS 59 3HZ LYS 59 -1.384 39.361 -27.982 426 HZ2 LYS 59 1HZ LYS 59 -1.038 37.949 -28.846 427 HZ3 LYS 59 2HZ LYS 59 -0.204 38.290 -27.415 428 H THR 60 H THR 60 -7.554 33.440 -27.252 429 HA THR 60 HA THR 60 -7.143 31.426 -29.059 430 HB THR 60 HB THR 60 -9.594 30.827 -28.696 431 HG1 THR 60 HG1 THR 60 -9.473 33.349 -27.541 432 HG21 THR 60 3HG2 THR 60 -7.934 31.361 -26.230 433 HG22 THR 60 1HG2 THR 60 -7.744 29.971 -27.298 434 HG23 THR 60 2HG2 THR 60 -9.237 30.183 -26.383 435 H GLY 61 H GLY 61 -10.181 33.210 -29.364 436 HA2 GLY 61 2HA GLY 61 -11.410 33.685 -31.260 437 HA3 GLY 61 3HA GLY 61 -9.928 34.495 -31.746 438 H ARG 62 H ARG 62 -11.108 31.133 -31.519 439 HA ARG 62 HA ARG 62 -11.098 29.424 -33.022 440 HB2 ARG 62 2HB ARG 62 -12.019 31.404 -34.475 441 HB3 ARG 62 3HB ARG 62 -10.447 31.307 -35.257 442 HG2 ARG 62 2HG ARG 62 -11.645 28.695 -35.003 443 HG3 ARG 62 3HG ARG 62 -12.711 29.816 -35.852 444 HD2 ARG 62 2HD ARG 62 -9.910 29.977 -36.679 445 HD3 ARG 62 3HD ARG 62 -10.656 28.409 -36.986 446 HE ARG 62 HE ARG 62 -12.482 30.144 -37.952 447 HH11 ARG 62 1HH1 ARG 62 -9.055 29.784 -38.446 448 HH12 ARG 62 2HH1 ARG 62 -9.092 30.398 -40.066 449 HH21 ARG 62 1HH2 ARG 62 -12.544 30.954 -40.084 450 HH22 ARG 62 2HH2 ARG 62 -11.077 31.065 -40.996 451 H GLN 63 H GLN 63 -8.925 29.326 -31.701 452 HA GLN 63 HA GLN 63 -6.669 29.346 -33.589 453 HB2 GLN 63 2HB GLN 63 -6.915 29.915 -30.710 454 HB3 GLN 63 3HB GLN 63 -5.524 28.934 -31.150 455 HG2 GLN 63 2HG GLN 63 -6.153 31.511 -32.547 456 HG3 GLN 63 3HG GLN 63 -5.208 31.454 -31.059 457 HE21 GLN 63 1HE2 GLN 63 -3.428 29.695 -31.175 458 HE22 GLN 63 2HE2 GLN 63 -2.468 29.722 -32.611 459 H THR 64 H THR 64 -5.326 27.542 -33.771 460 HA THR 64 HA THR 64 -6.648 25.023 -33.352 461 HB THR 64 HB THR 64 -4.198 24.282 -34.207 462 HG1 THR 64 HG1 THR 64 -4.562 26.795 -35.466 463 HG21 THR 64 3HG2 THR 64 -5.126 24.475 -36.524 464 HG22 THR 64 1HG2 THR 64 -6.473 25.391 -35.850 465 HG23 THR 64 2HG2 THR 64 -6.219 23.714 -35.369 466 H LEU 65 H LEU 65 -5.580 23.172 -32.327 467 HA LEU 65 HA LEU 65 -3.608 23.811 -30.278 468 HB2 LEU 65 2HB LEU 65 -6.288 22.582 -29.650 469 HB3 LEU 65 3HB LEU 65 -4.948 22.741 -28.517 470 HG LEU 65 HG LEU 65 -5.218 25.306 -29.125 471 HD11 LEU 65 1HD1 LEU 65 -8.093 24.570 -29.214 472 HD12 LEU 65 2HD1 LEU 65 -7.162 24.469 -30.708 473 HD13 LEU 65 3HD1 LEU 65 -7.268 25.999 -29.838 474 HD21 LEU 65 3HD2 LEU 65 -7.267 24.171 -27.273 475 HD22 LEU 65 1HD2 LEU 65 -6.219 25.575 -27.068 476 HD23 LEU 65 2HD2 LEU 65 -5.551 23.948 -26.925 477 H THR 66 H THR 66 -2.297 22.122 -29.756 478 HA THR 66 HA THR 66 -2.975 19.474 -30.842 479 HB THR 66 HB THR 66 -0.172 19.721 -31.014 480 HG1 THR 66 HG1 THR 66 -1.480 21.860 -32.369 481 HG21 THR 66 3HG2 THR 66 -1.449 18.301 -32.459 482 HG22 THR 66 1HG2 THR 66 -0.633 19.495 -33.467 483 HG23 THR 66 2HG2 THR 66 -2.349 19.675 -33.102 484 H LEU 67 H LEU 67 -3.164 18.215 -29.104 485 HA LEU 67 HA LEU 67 -1.347 18.610 -26.839 486 HB2 LEU 67 2HB LEU 67 -2.918 17.615 -25.479 487 HB3 LEU 67 3HB LEU 67 -3.920 18.462 -26.655 488 HG LEU 67 HG LEU 67 -3.835 16.089 -27.856 489 HD11 LEU 67 1HD1 LEU 67 -2.369 15.385 -25.771 490 HD12 LEU 67 2HD1 LEU 67 -3.515 14.273 -26.519 491 HD13 LEU 67 3HD1 LEU 67 -3.958 15.136 -25.047 492 HD21 LEU 67 3HD2 LEU 67 -5.963 16.734 -27.491 493 HD22 LEU 67 1HD2 LEU 67 -5.622 17.317 -25.862 494 HD23 LEU 67 2HD2 LEU 67 -5.863 15.593 -26.149 495 H HIS 68 H HIS 68 0.161 17.150 -26.278 496 HA HIS 68 HA HIS 68 0.205 14.594 -27.744 497 HB2 HIS 68 2HB HIS 68 2.369 16.589 -27.244 498 HB3 HIS 68 3HB HIS 68 2.800 14.882 -27.289 499 HD1 HIS 68 HD1 HIS 68 3.423 14.068 -29.532 500 HD2 HIS 68 HD2 HIS 68 0.837 17.313 -29.739 501 HE1 HIS 68 HE1 HIS 68 3.159 14.562 -31.983 502 H TYR 69 H TYR 69 0.286 12.813 -26.535 503 HA TYR 69 HA TYR 69 1.351 12.962 -23.813 504 HB2 TYR 69 2HB TYR 69 -0.575 11.781 -22.889 505 HB3 TYR 69 3HB TYR 69 -1.083 13.298 -23.623 506 HD1 TYR 69 HD2 TYR 69 -1.893 13.114 -26.117 507 HD2 TYR 69 HD1 TYR 69 -1.735 9.844 -23.399 508 HE1 TYR 69 HE2 TYR 69 -3.539 11.903 -27.486 509 HE2 TYR 69 HE1 TYR 69 -3.379 8.624 -24.762 510 HH TYR 69 HH TYR 69 -4.441 9.830 -27.876 511 H GLN 70 H GLN 70 2.775 11.389 -23.534 512 HA GLN 70 HA GLN 70 3.875 9.405 -23.694 513 HB2 GLN 70 2HB GLN 70 1.046 8.682 -24.079 514 HB3 GLN 70 3HB GLN 70 2.197 7.513 -24.713 515 HG2 GLN 70 2HG GLN 70 2.228 8.570 -21.897 516 HG3 GLN 70 3HG GLN 70 1.463 7.061 -22.392 517 HE21 GLN 70 1HE2 GLN 70 3.642 7.500 -20.519 518 HE22 GLN 70 2HE2 GLN 70 4.980 6.581 -21.109 519 H GLY 71 H GLY 71 1.699 8.651 -26.364 520 HA2 GLY 71 2HA GLY 71 3.803 9.313 -28.296 521 HA3 GLY 71 3HA GLY 71 3.246 7.648 -28.221 522 H HIS 72 H HIS 72 0.774 9.816 -27.493 523 HA HIS 72 HA HIS 72 -0.257 9.608 -30.245 524 HB2 HIS 72 2HB HIS 72 -1.507 9.202 -27.599 525 HB3 HIS 72 3HB HIS 72 -2.481 10.092 -28.766 526 HD1 HIS 72 HD1 HIS 72 -3.882 8.667 -30.214 527 HD2 HIS 72 HD2 HIS 72 -0.542 6.629 -28.818 528 HE1 HIS 72 HE1 HIS 72 -4.118 6.318 -31.079 529 H GLU 73 H GLU 73 -1.638 11.361 -30.986 530 HA GLU 73 HA GLU 73 -1.322 13.902 -29.577 531 HB2 GLU 73 2HB GLU 73 -0.390 15.057 -31.421 532 HB3 GLU 73 3HB GLU 73 0.567 13.593 -31.241 533 HG2 GLU 73 2HG GLU 73 0.264 13.413 -33.448 534 HG3 GLU 73 3HG GLU 73 -1.302 12.743 -32.991 535 H VAL 74 H VAL 74 -3.045 15.229 -29.771 536 HA VAL 74 HA VAL 74 -5.111 14.503 -31.744 537 HB VAL 74 HB VAL 74 -5.564 15.392 -28.892 538 HG11 VAL 74 1HG1 VAL 74 -7.373 15.134 -31.243 539 HG12 VAL 74 2HG1 VAL 74 -7.992 14.717 -29.644 540 HG13 VAL 74 3HG1 VAL 74 -7.363 16.336 -29.954 541 HG21 VAL 74 3HG2 VAL 74 -5.683 12.759 -30.283 542 HG22 VAL 74 1HG2 VAL 74 -5.089 13.158 -28.671 543 HG23 VAL 74 2HG2 VAL 74 -6.824 13.086 -28.980 544 H SER 75 H SER 75 -6.202 16.166 -32.735 545 HA SER 75 HA SER 75 -5.191 18.877 -32.171 546 HB2 SER 75 2HB SER 75 -4.543 17.817 -34.395 547 HB3 SER 75 3HB SER 75 -6.247 17.931 -34.838 548 HG SER 75 HG SER 75 -4.434 20.026 -34.267 549 H PHE 76 H PHE 76 -6.624 20.505 -31.888 550 HA PHE 76 HA PHE 76 -9.409 20.182 -32.611 551 HB2 PHE 76 2HB PHE 76 -10.087 20.802 -30.207 552 HB3 PHE 76 3HB PHE 76 -9.617 19.135 -30.519 553 HD1 PHE 76 HD2 PHE 76 -7.264 18.421 -29.931 554 HD2 PHE 76 HD1 PHE 76 -8.974 22.088 -28.608 555 HE1 PHE 76 HE2 PHE 76 -5.570 18.565 -28.153 556 HE2 PHE 76 HE1 PHE 76 -7.282 22.238 -26.828 557 HZ PHE 76 HZ PHE 76 -5.578 20.475 -26.598 558 H ASP 77 H ASP 77 -10.679 22.189 -31.855 559 HA ASP 77 HA ASP 77 -8.941 24.549 -32.168 560 HB2 ASP 77 2HB ASP 77 -10.824 25.648 -33.302 561 HB3 ASP 77 3HB ASP 77 -10.348 24.171 -34.136 562 H VAL 78 H VAL 78 -9.498 26.452 -31.035 563 HA VAL 78 HA VAL 78 -11.357 26.038 -28.784 564 HB VAL 78 HB VAL 78 -8.936 25.989 -28.114 565 HG11 VAL 78 1HG1 VAL 78 -8.986 28.935 -28.734 566 HG12 VAL 78 2HG1 VAL 78 -7.624 27.974 -28.156 567 HG13 VAL 78 3HG1 VAL 78 -8.247 27.730 -29.788 568 HG21 VAL 78 3HG2 VAL 78 -9.547 28.220 -26.549 569 HG22 VAL 78 1HG2 VAL 78 -11.104 27.517 -26.989 570 HG23 VAL 78 2HG2 VAL 78 -9.888 26.531 -26.177 571 H LEU 79 H LEU 79 -12.675 27.725 -28.219 572 HA LEU 79 HA LEU 79 -12.372 30.271 -29.631 573 HB2 LEU 79 2HB LEU 79 -13.923 28.728 -30.888 574 HB3 LEU 79 3HB LEU 79 -15.006 28.822 -29.501 575 HG LEU 79 HG LEU 79 -14.750 31.432 -29.990 576 HD11 LEU 79 1HD1 LEU 79 -14.233 30.074 -32.625 577 HD12 LEU 79 2HD1 LEU 79 -13.257 31.308 -31.830 578 HD13 LEU 79 3HD1 LEU 79 -14.842 31.724 -32.482 579 HD21 LEU 79 3HD2 LEU 79 -16.585 29.722 -31.652 580 HD22 LEU 79 1HD2 LEU 79 -16.875 31.345 -31.026 581 HD23 LEU 79 2HD2 LEU 79 -16.809 29.973 -29.920 582 H VAL 80 H VAL 80 -12.602 31.925 -28.282 583 HA VAL 80 HA VAL 80 -13.779 31.436 -25.646 584 HB VAL 80 HB VAL 80 -11.486 32.435 -25.831 585 HG11 VAL 80 1HG1 VAL 80 -12.752 35.046 -26.512 586 HG12 VAL 80 2HG1 VAL 80 -11.085 34.508 -26.730 587 HG13 VAL 80 3HG1 VAL 80 -12.350 33.926 -27.813 588 HG21 VAL 80 3HG2 VAL 80 -13.711 33.854 -24.401 589 HG22 VAL 80 1HG2 VAL 80 -12.527 32.717 -23.757 590 HG23 VAL 80 2HG2 VAL 80 -12.029 34.347 -24.208 591 H SER 81 H SER 81 -15.568 32.454 -24.916 592 HA SER 81 HA SER 81 -17.030 34.101 -26.850 593 HB2 SER 81 2HB SER 81 -18.852 33.660 -24.920 594 HB3 SER 81 3HB SER 81 -18.561 32.521 -26.234 595 HG SER 81 HG SER 81 -17.962 31.144 -24.782 596 HA PRO 82 HA PRO 82 -16.698 37.821 -24.551 597 HB2 PRO 82 2HB PRO 82 -19.185 38.883 -24.791 598 HB3 PRO 82 3HB PRO 82 -18.039 38.808 -26.135 599 HG2 PRO 82 2HG PRO 82 -20.339 37.000 -25.505 600 HG3 PRO 82 3HG PRO 82 -19.834 37.664 -27.069 601 HD2 PRO 82 2HD PRO 82 -19.249 35.133 -26.303 602 HD3 PRO 82 3HD PRO 82 -18.174 36.089 -27.343 603 H LYS 83 H LYS 83 -16.754 38.395 -22.461 604 HA LYS 83 HA LYS 83 -17.895 36.802 -20.486 605 HB2 LYS 83 2HB LYS 83 -16.012 38.381 -20.134 606 HB3 LYS 83 3HB LYS 83 -17.142 39.722 -20.258 607 HG2 LYS 83 2HG LYS 83 -18.002 37.778 -18.297 608 HG3 LYS 83 3HG LYS 83 -16.386 38.398 -17.951 609 HD2 LYS 83 2HD LYS 83 -17.474 40.716 -18.439 610 HD3 LYS 83 3HD LYS 83 -18.988 39.864 -18.122 611 HE2 LYS 83 2HE LYS 83 -17.056 39.210 -16.105 612 HE3 LYS 83 3HE LYS 83 -17.194 40.961 -16.253 613 HZ1 LYS 83 3HZ LYS 83 -19.413 39.049 -15.766 614 HZ2 LYS 83 1HZ LYS 83 -19.617 40.708 -16.027 615 HZ3 LYS 83 2HZ LYS 83 -18.780 40.163 -14.662 616 H ALA 84 H ALA 84 -19.896 36.600 -19.737 617 HA ALA 84 HA ALA 84 -21.679 38.793 -19.407 618 HB1 ALA 84 1HB ALA 84 -23.445 37.870 -20.973 619 HB2 ALA 84 2HB ALA 84 -22.080 38.693 -21.728 620 HB3 ALA 84 3HB ALA 84 -22.152 36.931 -21.720 621 H ALA 85 H ALA 85 -20.898 37.189 -17.490 622 HA ALA 85 HA ALA 85 -23.070 35.232 -17.116 623 HB1 ALA 85 1HB ALA 85 -20.344 34.811 -16.957 624 HB2 ALA 85 2HB ALA 85 -20.847 34.955 -15.272 625 HB3 ALA 85 3HB ALA 85 -21.605 33.755 -16.319 626 H LEU 86 H LEU 86 -23.046 34.822 -14.472 627 HA LEU 86 HA LEU 86 -23.404 37.471 -13.244 628 HB2 LEU 86 2HB LEU 86 -25.430 36.709 -12.161 629 HB3 LEU 86 3HB LEU 86 -25.579 36.588 -13.913 630 HG LEU 86 HG LEU 86 -24.665 34.082 -12.903 631 HD11 LEU 86 1HD1 LEU 86 -25.804 35.106 -10.813 632 HD12 LEU 86 2HD1 LEU 86 -26.216 33.464 -11.306 633 HD13 LEU 86 3HD1 LEU 86 -27.302 34.799 -11.691 634 HD21 LEU 86 3HD2 LEU 86 -26.208 34.950 -14.918 635 HD22 LEU 86 1HD2 LEU 86 -27.461 34.426 -13.792 636 HD23 LEU 86 2HD2 LEU 86 -26.227 33.286 -14.332 637 H ASN 87 H ASN 87 -24.080 36.845 -10.736 638 HA ASN 87 HA ASN 87 -21.904 35.091 -9.799 639 HB2 ASN 87 2HB ASN 87 -21.354 36.587 -8.092 640 HB3 ASN 87 3HB ASN 87 -21.689 37.654 -9.453 641 HD21 ASN 87 1HD2 ASN 87 -23.207 39.167 -9.243 642 HD22 ASN 87 2HD2 ASN 87 -24.270 39.326 -7.889 643 H ASP 88 H ASP 88 -22.304 33.766 -8.043 644 HA ASP 88 HA ASP 88 -25.027 33.768 -6.947 645 HB2 ASP 88 2HB ASP 88 -24.901 31.211 -7.055 646 HB3 ASP 88 3HB ASP 88 -25.207 32.064 -8.565 647 H GLU 89 H GLU 89 -25.111 32.056 -5.084 648 HA GLU 89 HA GLU 89 -23.177 32.887 -3.156 649 HB2 GLU 89 2HB GLU 89 -25.525 31.021 -3.120 650 HB3 GLU 89 3HB GLU 89 -24.410 31.062 -1.761 651 HG2 GLU 89 2HG GLU 89 -24.823 33.566 -1.694 652 HG3 GLU 89 3HG GLU 89 -26.168 33.262 -2.793 Start of MODEL 18 1 H SER 1 H SER 1 6.257 4.444 -2.248 2 HA SER 1 HA SER 1 5.375 2.045 -3.359 3 HB2 SER 1 2HB SER 1 4.385 1.932 -0.959 4 HB3 SER 1 3HB SER 1 3.235 3.132 -1.547 5 HG SER 1 HG SER 1 3.262 0.480 -1.959 6 HA PRO 2 HA PRO 2 4.233 6.079 -5.407 7 HB2 PRO 2 2HB PRO 2 5.594 5.586 -7.704 8 HB3 PRO 2 3HB PRO 2 6.335 6.351 -6.293 9 HG2 PRO 2 2HG PRO 2 6.469 3.498 -7.190 10 HG3 PRO 2 3HG PRO 2 7.765 4.538 -6.569 11 HD2 PRO 2 2HD PRO 2 6.513 2.694 -5.031 12 HD3 PRO 2 3HD PRO 2 7.139 4.220 -4.374 13 H LYS 3 H LYS 3 2.652 6.341 -6.951 14 HA LYS 3 HA LYS 3 1.404 3.872 -7.916 15 HB2 LYS 3 2HB LYS 3 -0.111 5.249 -6.692 16 HB3 LYS 3 3HB LYS 3 0.374 6.687 -7.580 17 HG2 LYS 3 2HG LYS 3 -0.620 5.743 -9.619 18 HG3 LYS 3 3HG LYS 3 -1.144 4.336 -8.692 19 HD2 LYS 3 2HD LYS 3 -3.051 5.561 -8.539 20 HD3 LYS 3 3HD LYS 3 -2.194 6.252 -7.160 21 HE2 LYS 3 2HE LYS 3 -1.465 7.597 -9.603 22 HE3 LYS 3 3HE LYS 3 -3.214 7.608 -9.382 23 HZ1 LYS 3 3HZ LYS 3 -1.316 9.207 -8.113 24 HZ2 LYS 3 1HZ LYS 3 -1.988 8.202 -6.929 25 HZ3 LYS 3 2HZ LYS 3 -2.990 9.187 -7.870 26 H THR 4 H THR 4 2.311 3.304 -9.813 27 HA THR 4 HA THR 4 2.562 5.369 -11.897 28 HB THR 4 HB THR 4 3.883 3.123 -12.847 29 HG1 THR 4 HG1 THR 4 4.380 3.462 -10.060 30 HG21 THR 4 3HG2 THR 4 4.542 5.797 -11.885 31 HG22 THR 4 1HG2 THR 4 5.142 4.924 -13.294 32 HG23 THR 4 2HG2 THR 4 5.872 4.652 -11.712 33 H ILE 5 H ILE 5 1.031 5.345 -13.394 34 HA ILE 5 HA ILE 5 -0.859 3.255 -13.664 35 HB ILE 5 HB ILE 5 -1.884 4.527 -15.333 36 HG12 ILE 5 2HG1 ILE 5 -0.036 4.693 -16.894 37 HG13 ILE 5 3HG1 ILE 5 -0.703 6.299 -16.617 38 HG21 ILE 5 1HG2 ILE 5 -1.133 5.724 -12.992 39 HG22 ILE 5 2HG2 ILE 5 -0.636 6.911 -14.196 40 HG23 ILE 5 3HG2 ILE 5 -2.313 6.368 -14.134 41 HD11 ILE 5 3HD1 ILE 5 1.132 6.710 -14.997 42 HD12 ILE 5 1HD1 ILE 5 1.829 5.159 -15.466 43 HD13 ILE 5 2HD1 ILE 5 1.676 6.453 -16.655 44 H LEU 6 H LEU 6 -1.343 2.237 -15.840 45 HA LEU 6 HA LEU 6 1.102 1.535 -17.303 46 HB2 LEU 6 2HB LEU 6 0.500 -0.172 -15.530 47 HB3 LEU 6 3HB LEU 6 -0.942 -0.514 -16.483 48 HG LEU 6 HG LEU 6 1.141 -0.754 -18.300 49 HD11 LEU 6 1HD1 LEU 6 1.936 -2.276 -15.840 50 HD12 LEU 6 2HD1 LEU 6 2.622 -0.698 -16.225 51 HD13 LEU 6 3HD1 LEU 6 2.837 -2.047 -17.339 52 HD21 LEU 6 3HD2 LEU 6 -0.526 -2.696 -16.740 53 HD22 LEU 6 1HD2 LEU 6 0.669 -3.253 -17.912 54 HD23 LEU 6 2HD2 LEU 6 -0.662 -2.221 -18.434 55 H GLY 7 H GLY 7 -2.433 1.482 -17.185 56 HA2 GLY 7 2HA GLY 7 -2.516 1.185 -20.107 57 HA3 GLY 7 3HA GLY 7 -3.877 0.977 -19.014 58 H ILE 8 H ILE 8 -3.736 2.591 -21.420 59 HA ILE 8 HA ILE 8 -4.470 5.166 -20.218 60 HB ILE 8 HB ILE 8 -2.268 5.534 -21.136 61 HG12 ILE 8 2HG1 ILE 8 -4.416 6.654 -22.951 62 HG13 ILE 8 3HG1 ILE 8 -3.909 7.335 -21.409 63 HG21 ILE 8 1HG2 ILE 8 -1.501 4.470 -22.927 64 HG22 ILE 8 2HG2 ILE 8 -3.056 3.650 -23.054 65 HG23 ILE 8 3HG2 ILE 8 -2.777 5.153 -23.934 66 HD11 ILE 8 3HD1 ILE 8 -1.730 7.834 -22.302 67 HD12 ILE 8 1HD1 ILE 8 -2.141 7.045 -23.825 68 HD13 ILE 8 2HD1 ILE 8 -2.975 8.523 -23.344 69 H GLU 9 H GLU 9 -6.370 5.934 -20.907 70 HA GLU 9 HA GLU 9 -7.463 4.941 -23.446 71 HB2 GLU 9 2HB GLU 9 -8.444 4.350 -20.803 72 HB3 GLU 9 3HB GLU 9 -9.648 5.267 -21.698 73 HG2 GLU 9 2HG GLU 9 -9.207 3.566 -23.586 74 HG3 GLU 9 3HG GLU 9 -8.481 2.586 -22.313 75 H VAL 10 H VAL 10 -8.161 6.531 -24.709 76 HA VAL 10 HA VAL 10 -8.188 9.242 -23.754 77 HB VAL 10 HB VAL 10 -7.352 8.783 -25.986 78 HG11 VAL 10 1HG1 VAL 10 -9.884 8.290 -27.303 79 HG12 VAL 10 2HG1 VAL 10 -8.350 7.429 -27.447 80 HG13 VAL 10 3HG1 VAL 10 -9.479 7.013 -26.157 81 HG21 VAL 10 3HG2 VAL 10 -9.911 10.241 -26.485 82 HG22 VAL 10 1HG2 VAL 10 -8.733 10.902 -25.351 83 HG23 VAL 10 2HG2 VAL 10 -8.278 10.621 -27.031 84 H SER 11 H SER 11 -9.901 10.532 -23.329 85 HA SER 11 HA SER 11 -12.594 9.677 -24.014 86 HB2 SER 11 2HB SER 11 -11.544 9.094 -21.476 87 HB3 SER 11 3HB SER 11 -12.586 10.497 -21.239 88 HG SER 11 HG SER 11 -13.334 8.086 -22.541 89 H GLN 12 H GLN 12 -10.753 11.892 -24.669 90 HA GLN 12 HA GLN 12 -11.839 14.230 -23.380 91 HB2 GLN 12 2HB GLN 12 -10.382 15.490 -24.854 92 HB3 GLN 12 3HB GLN 12 -9.493 14.148 -24.146 93 HG2 GLN 12 2HG GLN 12 -8.800 13.960 -26.295 94 HG3 GLN 12 3HG GLN 12 -10.236 12.941 -26.369 95 HE21 GLN 12 1HE2 GLN 12 -10.514 13.276 -28.562 96 HE22 GLN 12 2HE2 GLN 12 -11.067 14.779 -29.209 97 H GLU 13 H GLU 13 -13.516 15.427 -24.024 98 HA GLU 13 HA GLU 13 -14.795 14.723 -26.576 99 HB2 GLU 13 2HB GLU 13 -15.808 15.306 -23.907 100 HB3 GLU 13 3HB GLU 13 -16.602 16.268 -25.146 101 HG2 GLU 13 2HG GLU 13 -17.956 14.474 -25.238 102 HG3 GLU 13 3HG GLU 13 -16.710 13.882 -26.335 103 HA PRO 14 HA PRO 14 -14.056 18.695 -28.289 104 HB2 PRO 14 2HB PRO 14 -16.318 19.088 -29.737 105 HB3 PRO 14 3HB PRO 14 -15.068 17.930 -30.205 106 HG2 PRO 14 2HG PRO 14 -17.665 17.447 -28.797 107 HG3 PRO 14 3HG PRO 14 -16.912 16.517 -30.106 108 HD2 PRO 14 2HD PRO 14 -16.793 15.744 -27.514 109 HD3 PRO 14 3HD PRO 14 -15.487 15.412 -28.670 110 H LYS 15 H LYS 15 -14.150 20.672 -27.441 111 HA LYS 15 HA LYS 15 -16.539 22.039 -26.830 112 HB2 LYS 15 2HB LYS 15 -16.691 20.602 -24.905 113 HB3 LYS 15 3HB LYS 15 -15.010 20.906 -24.484 114 HG2 LYS 15 2HG LYS 15 -16.590 22.122 -23.048 115 HG3 LYS 15 3HG LYS 15 -15.514 23.200 -23.940 116 HD2 LYS 15 2HD LYS 15 -17.791 24.055 -23.962 117 HD3 LYS 15 3HD LYS 15 -17.291 23.590 -25.589 118 HE2 LYS 15 2HE LYS 15 -18.602 21.638 -25.546 119 HE3 LYS 15 3HE LYS 15 -18.818 21.722 -23.799 120 HZ1 LYS 15 3HZ LYS 15 -19.799 24.052 -25.142 121 HZ2 LYS 15 1HZ LYS 15 -20.575 23.042 -24.027 122 HZ3 LYS 15 2HZ LYS 15 -20.567 22.640 -25.670 123 H LYS 16 H LYS 16 -13.595 22.144 -24.879 124 HA LYS 16 HA LYS 16 -12.217 23.930 -24.440 125 HB2 LYS 16 2HB LYS 16 -11.629 22.756 -26.828 126 HB3 LYS 16 3HB LYS 16 -11.809 24.436 -27.316 127 HG2 LYS 16 2HG LYS 16 -9.995 25.129 -26.100 128 HG3 LYS 16 3HG LYS 16 -10.123 23.800 -24.946 129 HD2 LYS 16 2HD LYS 16 -9.309 23.459 -27.830 130 HD3 LYS 16 3HD LYS 16 -8.166 23.645 -26.498 131 HE2 LYS 16 2HE LYS 16 -10.176 21.599 -25.994 132 HE3 LYS 16 3HE LYS 16 -9.209 21.269 -27.430 133 HZ1 LYS 16 3HZ LYS 16 -7.950 22.014 -24.862 134 HZ2 LYS 16 1HZ LYS 16 -7.252 21.237 -26.193 135 HZ3 LYS 16 2HZ LYS 16 -8.354 20.409 -25.213 136 H ASP 17 H ASP 17 -14.637 24.926 -24.126 137 HA ASP 17 HA ASP 17 -14.547 27.515 -25.530 138 HB2 ASP 17 2HB ASP 17 -16.876 25.720 -24.962 139 HB3 ASP 17 3HB ASP 17 -17.124 27.463 -25.008 140 H TYR 18 H TYR 18 -14.296 29.203 -24.231 141 HA TYR 18 HA TYR 18 -15.370 29.122 -21.515 142 HB2 TYR 18 2HB TYR 18 -13.322 29.726 -20.464 143 HB3 TYR 18 3HB TYR 18 -12.958 28.345 -21.493 144 HD1 TYR 18 HD2 TYR 18 -11.882 28.787 -23.754 145 HD2 TYR 18 HD1 TYR 18 -12.163 31.753 -20.716 146 HE1 TYR 18 HE2 TYR 18 -10.094 30.071 -24.850 147 HE2 TYR 18 HE1 TYR 18 -10.376 33.046 -21.805 148 HH TYR 18 HH TYR 18 -8.585 32.783 -23.338 149 H LEU 19 H LEU 19 -16.060 31.071 -20.771 150 HA LEU 19 HA LEU 19 -16.146 33.240 -22.689 151 HB2 LEU 19 2HB LEU 19 -17.597 34.315 -20.941 152 HB3 LEU 19 3HB LEU 19 -18.195 32.799 -21.612 153 HG LEU 19 HG LEU 19 -16.726 32.141 -19.294 154 HD11 LEU 19 1HD1 LEU 19 -17.791 33.424 -17.567 155 HD12 LEU 19 2HD1 LEU 19 -18.726 34.329 -18.757 156 HD13 LEU 19 3HD1 LEU 19 -16.976 34.528 -18.674 157 HD21 LEU 19 3HD2 LEU 19 -19.104 31.606 -18.486 158 HD22 LEU 19 1HD2 LEU 19 -18.514 30.787 -19.932 159 HD23 LEU 19 2HD2 LEU 19 -19.620 32.153 -20.082 160 H VAL 20 H VAL 20 -15.610 35.444 -22.118 161 HA VAL 20 HA VAL 20 -13.037 35.828 -21.240 162 HB VAL 20 HB VAL 20 -15.265 37.851 -20.979 163 HG11 VAL 20 1HG1 VAL 20 -13.217 39.367 -21.552 164 HG12 VAL 20 2HG1 VAL 20 -13.479 38.822 -19.894 165 HG13 VAL 20 3HG1 VAL 20 -12.285 38.014 -20.911 166 HG21 VAL 20 3HG2 VAL 20 -13.840 38.392 -23.292 167 HG22 VAL 20 1HG2 VAL 20 -14.032 36.639 -23.307 168 HG23 VAL 20 2HG2 VAL 20 -15.451 37.681 -23.196 169 H GLY 21 H GLY 21 -12.037 36.336 -19.326 170 HA2 GLY 21 2HA GLY 21 -11.935 36.914 -17.042 171 HA3 GLY 21 3HA GLY 21 -13.660 36.608 -16.911 172 H ASP 22 H ASP 22 -13.329 34.001 -18.333 173 HA ASP 22 HA ASP 22 -12.804 32.424 -15.981 174 HB2 ASP 22 2HB ASP 22 -14.615 32.023 -17.788 175 HB3 ASP 22 3HB ASP 22 -13.310 31.295 -18.721 176 H SER 23 H SER 23 -11.367 32.741 -19.213 177 HA SER 23 HA SER 23 -9.310 32.211 -20.027 178 HB2 SER 23 2HB SER 23 -8.071 31.897 -17.353 179 HB3 SER 23 3HB SER 23 -7.539 32.848 -18.738 180 HG SER 23 HG SER 23 -8.209 34.387 -17.405 181 H LEU 24 H LEU 24 -9.553 30.227 -20.910 182 HA LEU 24 HA LEU 24 -9.406 27.975 -21.187 183 HB2 LEU 24 2HB LEU 24 -7.551 28.378 -18.858 184 HB3 LEU 24 3HB LEU 24 -7.801 26.799 -19.600 185 HG LEU 24 HG LEU 24 -7.170 28.438 -21.739 186 HD11 LEU 24 1HD1 LEU 24 -6.458 29.990 -19.696 187 HD12 LEU 24 2HD1 LEU 24 -5.543 29.922 -21.202 188 HD13 LEU 24 3HD1 LEU 24 -5.004 28.997 -19.800 189 HD21 LEU 24 3HD2 LEU 24 -5.519 26.922 -22.060 190 HD22 LEU 24 1HD2 LEU 24 -6.393 26.058 -20.794 191 HD23 LEU 24 2HD2 LEU 24 -4.962 27.007 -20.388 192 H ASP 25 H ASP 25 -11.469 27.297 -20.806 193 HA ASP 25 HA ASP 25 -12.078 26.416 -18.059 194 HB2 ASP 25 2HB ASP 25 -13.514 28.282 -18.970 195 HB3 ASP 25 3HB ASP 25 -14.107 27.143 -20.176 196 H LEU 26 H LEU 26 -10.752 25.039 -20.398 197 HA LEU 26 HA LEU 26 -12.377 23.153 -21.600 198 HB2 LEU 26 2HB LEU 26 -10.075 23.440 -22.241 199 HB3 LEU 26 3HB LEU 26 -9.527 22.901 -20.655 200 HG LEU 26 HG LEU 26 -10.664 20.668 -21.259 201 HD11 LEU 26 1HD1 LEU 26 -11.882 21.513 -23.211 202 HD12 LEU 26 2HD1 LEU 26 -10.800 20.186 -23.633 203 HD13 LEU 26 3HD1 LEU 26 -10.348 21.847 -24.016 204 HD21 LEU 26 3HD2 LEU 26 -8.618 20.078 -22.715 205 HD22 LEU 26 1HD2 LEU 26 -8.350 20.634 -21.063 206 HD23 LEU 26 2HD2 LEU 26 -8.118 21.743 -22.414 207 H SER 27 H SER 27 -13.698 21.700 -20.751 208 HA SER 27 HA SER 27 -12.885 20.322 -18.281 209 HB2 SER 27 2HB SER 27 -15.623 21.413 -18.959 210 HB3 SER 27 3HB SER 27 -15.316 20.291 -17.634 211 HG SER 27 HG SER 27 -15.282 22.741 -17.295 212 H GLU 28 H GLU 28 -13.456 19.977 -21.455 213 HA GLU 28 HA GLU 28 -14.778 17.366 -21.210 214 HB2 GLU 28 2HB GLU 28 -14.333 19.193 -23.569 215 HB3 GLU 28 3HB GLU 28 -14.915 17.543 -23.741 216 HG2 GLU 28 2HG GLU 28 -16.268 19.845 -22.369 217 HG3 GLU 28 3HG GLU 28 -16.807 18.955 -23.791 218 H GLY 29 H GLY 29 -11.754 18.865 -21.822 219 HA2 GLY 29 2HA GLY 29 -10.598 16.642 -23.255 220 HA3 GLY 29 3HA GLY 29 -9.744 18.055 -22.652 221 H ARG 30 H ARG 30 -11.569 15.335 -21.231 222 HA ARG 30 HA ARG 30 -9.399 15.053 -19.261 223 HB2 ARG 30 2HB ARG 30 -10.947 14.306 -17.685 224 HB3 ARG 30 3HB ARG 30 -11.828 15.567 -18.538 225 HG2 ARG 30 2HG ARG 30 -12.558 13.458 -20.013 226 HG3 ARG 30 3HG ARG 30 -12.275 12.652 -18.468 227 HD2 ARG 30 2HD ARG 30 -13.776 14.272 -17.378 228 HD3 ARG 30 3HD ARG 30 -14.087 15.016 -18.946 229 HE ARG 30 HE ARG 30 -14.708 12.358 -19.257 230 HH11 ARG 30 1HH1 ARG 30 -15.758 14.962 -17.200 231 HH12 ARG 30 2HH1 ARG 30 -17.369 14.349 -17.025 232 HH21 ARG 30 1HH2 ARG 30 -16.826 11.540 -19.034 233 HH22 ARG 30 2HH2 ARG 30 -17.975 12.401 -18.068 234 H PHE 31 H PHE 31 -8.466 13.072 -18.892 235 HA PHE 31 HA PHE 31 -9.246 10.908 -20.734 236 HB2 PHE 31 2HB PHE 31 -6.874 10.255 -20.829 237 HB3 PHE 31 3HB PHE 31 -7.115 11.898 -21.413 238 HD1 PHE 31 HD1 PHE 31 -6.426 13.816 -20.029 239 HD2 PHE 31 HD2 PHE 31 -5.566 9.803 -18.899 240 HE1 PHE 31 HE1 PHE 31 -4.734 14.630 -18.439 241 HE2 PHE 31 HE2 PHE 31 -3.873 10.611 -17.307 242 HZ PHE 31 HZ PHE 31 -3.456 13.027 -17.074 243 H ALA 32 H ALA 32 -9.055 8.770 -19.982 244 HA ALA 32 HA ALA 32 -9.051 8.551 -17.048 245 HB1 ALA 32 1HB ALA 32 -10.179 6.266 -17.696 246 HB2 ALA 32 2HB ALA 32 -11.112 7.764 -17.661 247 HB3 ALA 32 3HB ALA 32 -10.533 7.121 -19.198 248 H VAL 33 H VAL 33 -7.320 7.661 -16.154 249 HA VAL 33 HA VAL 33 -5.646 5.869 -17.779 250 HB VAL 33 HB VAL 33 -4.670 8.002 -16.742 251 HG11 VAL 33 1HG1 VAL 33 -4.305 6.424 -14.249 252 HG12 VAL 33 2HG1 VAL 33 -4.312 8.172 -14.492 253 HG13 VAL 33 3HG1 VAL 33 -5.831 7.276 -14.482 254 HG21 VAL 33 3HG2 VAL 33 -3.229 6.352 -17.686 255 HG22 VAL 33 1HG2 VAL 33 -2.554 6.810 -16.123 256 HG23 VAL 33 2HG2 VAL 33 -3.434 5.291 -16.292 257 H ALA 34 H ALA 34 -5.104 3.849 -17.071 258 HA ALA 34 HA ALA 34 -6.611 2.857 -14.755 259 HB1 ALA 34 1HB ALA 34 -7.167 1.665 -16.729 260 HB2 ALA 34 2HB ALA 34 -5.470 1.447 -17.156 261 HB3 ALA 34 3HB ALA 34 -6.144 0.601 -15.764 262 H TYR 35 H TYR 35 -5.625 1.971 -13.021 263 HA TYR 35 HA TYR 35 -2.706 2.147 -12.927 264 HB2 TYR 35 2HB TYR 35 -4.075 3.282 -11.174 265 HB3 TYR 35 3HB TYR 35 -4.653 1.703 -10.654 266 HD1 TYR 35 HD2 TYR 35 -1.197 2.479 -11.728 267 HD2 TYR 35 HD1 TYR 35 -3.790 1.688 -8.448 268 HE1 TYR 35 HE2 TYR 35 0.754 2.257 -10.246 269 HE2 TYR 35 HE1 TYR 35 -1.846 1.465 -6.957 270 HH TYR 35 HH TYR 35 0.408 1.239 -6.892 271 H SER 36 H SER 36 -1.395 0.439 -12.320 272 HA SER 36 HA SER 36 -2.126 -2.116 -13.187 273 HB2 SER 36 2HB SER 36 0.000 -2.428 -11.351 274 HB3 SER 36 3HB SER 36 0.105 -2.301 -13.107 275 HG SER 36 HG SER 36 0.765 -0.482 -11.192 276 H ASN 37 H ASN 37 -2.709 -0.532 -10.216 277 HA ASN 37 HA ASN 37 -3.142 -3.016 -8.753 278 HB2 ASN 37 2HB ASN 37 -2.071 -0.867 -7.783 279 HB3 ASN 37 3HB ASN 37 -3.722 -0.262 -7.693 280 HD21 ASN 37 1HD2 ASN 37 -1.460 -2.619 -6.498 281 HD22 ASN 37 2HD2 ASN 37 -2.377 -3.089 -5.111 282 H ASP 38 H ASP 38 -4.816 -2.122 -11.068 283 HA ASP 38 HA ASP 38 -7.001 -2.189 -11.695 284 HB2 ASP 38 2HB ASP 38 -6.887 -4.197 -10.094 285 HB3 ASP 38 3HB ASP 38 -7.683 -3.149 -8.922 286 H THR 39 H THR 39 -6.653 0.221 -11.558 287 HA THR 39 HA THR 39 -8.834 1.367 -10.011 288 HB THR 39 HB THR 39 -6.494 3.104 -9.859 289 HG1 THR 39 HG1 THR 39 -6.463 0.706 -8.317 290 HG21 THR 39 3HG2 THR 39 -8.378 2.004 -7.769 291 HG22 THR 39 1HG2 THR 39 -8.600 3.505 -8.668 292 HG23 THR 39 2HG2 THR 39 -7.251 3.341 -7.543 293 H MET 40 H MET 40 -9.371 3.566 -10.701 294 HA MET 40 HA MET 40 -8.257 4.361 -13.286 295 HB2 MET 40 2HB MET 40 -11.065 3.512 -12.757 296 HB3 MET 40 3HB MET 40 -10.803 4.849 -13.869 297 HG2 MET 40 2HG MET 40 -10.694 3.206 -15.389 298 HG3 MET 40 3HG MET 40 -9.023 3.096 -14.841 299 HE1 MET 40 3HE MET 40 -11.270 -0.283 -15.594 300 HE2 MET 40 1HE MET 40 -10.795 1.218 -16.388 301 HE3 MET 40 2HE MET 40 -9.569 0.033 -15.939 302 H GLU 41 H GLU 41 -8.141 6.528 -13.575 303 HA GLU 41 HA GLU 41 -9.594 8.264 -11.706 304 HB2 GLU 41 2HB GLU 41 -6.676 7.937 -11.961 305 HB3 GLU 41 3HB GLU 41 -7.235 9.603 -11.959 306 HG2 GLU 41 2HG GLU 41 -8.594 8.249 -9.883 307 HG3 GLU 41 3HG GLU 41 -6.884 7.837 -9.765 308 H GLU 42 H GLU 42 -10.460 10.028 -12.624 309 HA GLU 42 HA GLU 42 -9.624 10.690 -15.371 310 HB2 GLU 42 2HB GLU 42 -12.401 10.935 -14.203 311 HB3 GLU 42 3HB GLU 42 -11.930 11.326 -15.851 312 HG2 GLU 42 2HG GLU 42 -12.154 9.221 -16.506 313 HG3 GLU 42 3HG GLU 42 -11.188 8.624 -15.158 314 H HIS 43 H HIS 43 -9.348 12.818 -15.899 315 HA HIS 43 HA HIS 43 -10.142 14.917 -14.074 316 HB2 HIS 43 2HB HIS 43 -7.497 13.804 -13.965 317 HB3 HIS 43 3HB HIS 43 -7.407 15.466 -14.541 318 HD1 HIS 43 HD1 HIS 43 -6.549 14.250 -11.655 319 HD2 HIS 43 HD2 HIS 43 -9.858 16.598 -12.547 320 HE1 HIS 43 HE1 HIS 43 -7.196 15.349 -9.488 321 H SER 44 H SER 44 -10.328 16.886 -15.062 322 HA SER 44 HA SER 44 -9.597 16.976 -17.917 323 HB2 SER 44 2HB SER 44 -11.587 18.063 -18.427 324 HB3 SER 44 3HB SER 44 -12.106 16.959 -17.153 325 HG SER 44 HG SER 44 -11.542 19.727 -16.943 326 H PHE 45 H PHE 45 -8.144 18.453 -18.458 327 HA PHE 45 HA PHE 45 -6.894 20.357 -18.486 328 HB2 PHE 45 2HB PHE 45 -9.192 21.427 -18.121 329 HB3 PHE 45 3HB PHE 45 -8.746 21.538 -16.421 330 HD1 PHE 45 HD1 PHE 45 -6.745 22.096 -19.511 331 HD2 PHE 45 HD2 PHE 45 -8.391 23.768 -15.960 332 HE1 PHE 45 HE1 PHE 45 -5.567 24.208 -19.964 333 HE2 PHE 45 HE2 PHE 45 -7.216 25.883 -16.408 334 HZ PHE 45 HZ PHE 45 -5.802 26.106 -18.412 335 H THR 46 H THR 46 -8.067 20.266 -15.121 336 HA THR 46 HA THR 46 -5.825 21.043 -13.808 337 HB THR 46 HB THR 46 -6.540 19.551 -11.907 338 HG1 THR 46 HG1 THR 46 -8.686 18.867 -13.650 339 HG21 THR 46 3HG2 THR 46 -8.406 21.435 -13.299 340 HG22 THR 46 1HG2 THR 46 -7.490 21.667 -11.810 341 HG23 THR 46 2HG2 THR 46 -8.910 20.621 -11.818 342 H ASP 47 H ASP 47 -6.467 17.844 -15.135 343 HA ASP 47 HA ASP 47 -4.445 16.361 -13.995 344 HB2 ASP 47 2HB ASP 47 -6.250 16.018 -16.097 345 HB3 ASP 47 3HB ASP 47 -4.666 15.783 -16.831 346 H GLU 48 H GLU 48 -2.310 16.532 -13.964 347 HA GLU 48 HA GLU 48 -1.002 18.360 -15.823 348 HB2 GLU 48 2HB GLU 48 -0.207 17.086 -13.224 349 HB3 GLU 48 3HB GLU 48 1.013 17.784 -14.280 350 HG2 GLU 48 2HG GLU 48 -0.538 19.874 -14.230 351 HG3 GLU 48 3HG GLU 48 -1.171 19.128 -12.764 352 H GLY 49 H GLY 49 -1.958 15.513 -16.410 353 HA2 GLY 49 2HA GLY 49 0.576 14.210 -17.068 354 HA3 GLY 49 3HA GLY 49 -1.025 13.497 -17.206 355 H VAL 50 H VAL 50 -1.895 16.076 -18.584 356 HA VAL 50 HA VAL 50 -0.852 15.347 -21.240 357 HB VAL 50 HB VAL 50 -2.935 16.375 -22.139 358 HG11 VAL 50 1HG1 VAL 50 -4.469 14.534 -21.200 359 HG12 VAL 50 2HG1 VAL 50 -2.997 14.046 -22.042 360 HG13 VAL 50 3HG1 VAL 50 -3.053 14.027 -20.279 361 HG21 VAL 50 3HG2 VAL 50 -4.564 16.228 -19.820 362 HG22 VAL 50 1HG2 VAL 50 -3.191 17.274 -19.457 363 HG23 VAL 50 2HG2 VAL 50 -4.229 17.627 -20.839 364 H GLU 51 H GLU 51 -0.141 16.920 -22.642 365 HA GLU 51 HA GLU 51 0.040 19.652 -21.552 366 HB2 GLU 51 2HB GLU 51 2.125 18.049 -23.031 367 HB3 GLU 51 3HB GLU 51 2.227 19.793 -22.835 368 HG2 GLU 51 2HG GLU 51 3.009 19.605 -20.771 369 HG3 GLU 51 3HG GLU 51 1.740 18.471 -20.313 370 H ILE 52 H ILE 52 -0.372 21.326 -22.921 371 HA ILE 52 HA ILE 52 -1.220 20.602 -25.649 372 HB ILE 52 HB ILE 52 -2.181 23.083 -24.276 373 HG12 ILE 52 2HG1 ILE 52 -2.665 21.326 -22.674 374 HG13 ILE 52 3HG1 ILE 52 -4.157 21.805 -23.476 375 HG21 ILE 52 1HG2 ILE 52 -4.240 22.167 -25.729 376 HG22 ILE 52 2HG2 ILE 52 -2.973 23.200 -26.390 377 HG23 ILE 52 3HG2 ILE 52 -2.902 21.454 -26.631 378 HD11 ILE 52 3HD1 ILE 52 -4.490 19.634 -23.791 379 HD12 ILE 52 1HD1 ILE 52 -3.252 19.743 -25.042 380 HD13 ILE 52 2HD1 ILE 52 -2.815 19.234 -23.411 381 H SER 53 H SER 53 -0.500 21.786 -27.363 382 HA SER 53 HA SER 53 1.308 24.037 -26.790 383 HB2 SER 53 2HB SER 53 2.053 21.509 -27.835 384 HB3 SER 53 3HB SER 53 2.159 22.665 -29.162 385 HG SER 53 HG SER 53 3.477 23.965 -27.817 386 H GLY 54 H GLY 54 1.287 25.726 -28.247 387 HA2 GLY 54 2HA GLY 54 0.729 26.746 -30.327 388 HA3 GLY 54 3HA GLY 54 -0.464 25.483 -30.592 389 H TYR 55 H TYR 55 -1.214 25.979 -27.624 390 HA TYR 55 HA TYR 55 -3.303 27.881 -28.243 391 HB2 TYR 55 2HB TYR 55 -4.442 26.662 -26.758 392 HB3 TYR 55 3HB TYR 55 -3.001 25.696 -26.461 393 HD1 TYR 55 HD1 TYR 55 -4.925 28.635 -25.321 394 HD2 TYR 55 HD2 TYR 55 -1.746 25.944 -24.451 395 HE1 TYR 55 HE1 TYR 55 -4.829 29.501 -23.021 396 HE2 TYR 55 HE2 TYR 55 -1.643 26.801 -22.148 397 HH TYR 55 HH TYR 55 -2.256 28.762 -20.885 398 H ASP 56 H ASP 56 -3.581 29.890 -27.369 399 HA ASP 56 HA ASP 56 -1.290 30.967 -25.863 400 HB2 ASP 56 2HB ASP 56 -2.944 32.043 -28.069 401 HB3 ASP 56 3HB ASP 56 -2.520 33.188 -26.800 402 H ALA 57 H ALA 57 -1.675 31.379 -23.799 403 HA ALA 57 HA ALA 57 -4.332 31.411 -22.729 404 HB1 ALA 57 1HB ALA 57 -1.899 30.777 -21.703 405 HB2 ALA 57 2HB ALA 57 -2.167 32.371 -20.996 406 HB3 ALA 57 3HB ALA 57 -3.345 31.083 -20.740 407 H GLN 58 H GLN 58 -2.454 33.741 -24.216 408 HA GLN 58 HA GLN 58 -3.595 35.958 -22.684 409 HB2 GLN 58 2HB GLN 58 -1.188 35.570 -24.263 410 HB3 GLN 58 3HB GLN 58 -2.049 37.028 -24.737 411 HG2 GLN 58 2HG GLN 58 -2.121 37.520 -22.200 412 HG3 GLN 58 3HG GLN 58 -0.822 36.332 -22.106 413 HE21 GLN 58 1HE2 GLN 58 1.142 37.129 -22.221 414 HE22 GLN 58 2HE2 GLN 58 1.604 38.604 -22.992 415 H LYS 59 H LYS 59 -4.197 34.136 -25.453 416 HA LYS 59 HA LYS 59 -6.457 35.685 -26.176 417 HB2 LYS 59 2HB LYS 59 -3.930 36.210 -27.579 418 HB3 LYS 59 3HB LYS 59 -5.280 35.848 -28.646 419 HG2 LYS 59 2HG LYS 59 -6.141 37.868 -28.357 420 HG3 LYS 59 3HG LYS 59 -6.075 37.709 -26.600 421 HD2 LYS 59 2HD LYS 59 -3.613 38.266 -26.774 422 HD3 LYS 59 3HD LYS 59 -3.921 38.699 -28.457 423 HE2 LYS 59 2HE LYS 59 -5.186 40.537 -27.891 424 HE3 LYS 59 3HE LYS 59 -5.631 39.879 -26.317 425 HZ1 LYS 59 3HZ LYS 59 -3.237 40.196 -25.686 426 HZ2 LYS 59 1HZ LYS 59 -4.118 41.621 -25.919 427 HZ3 LYS 59 2HZ LYS 59 -3.045 41.087 -27.111 428 H THR 60 H THR 60 -7.835 34.581 -27.552 429 HA THR 60 HA THR 60 -6.928 31.889 -28.345 430 HB THR 60 HB THR 60 -9.660 31.692 -28.285 431 HG1 THR 60 HG1 THR 60 -8.810 33.443 -26.208 432 HG21 THR 60 3HG2 THR 60 -8.220 31.155 -25.743 433 HG22 THR 60 1HG2 THR 60 -7.627 30.357 -27.199 434 HG23 THR 60 2HG2 THR 60 -9.294 30.114 -26.676 435 H GLY 61 H GLY 61 -9.896 33.653 -29.145 436 HA2 GLY 61 2HA GLY 61 -10.911 33.957 -31.195 437 HA3 GLY 61 3HA GLY 61 -9.355 34.657 -31.619 438 H ARG 62 H ARG 62 -10.631 31.364 -31.095 439 HA ARG 62 HA ARG 62 -10.532 29.483 -32.372 440 HB2 ARG 62 2HB ARG 62 -11.406 31.199 -34.102 441 HB3 ARG 62 3HB ARG 62 -9.770 31.160 -34.746 442 HG2 ARG 62 2HG ARG 62 -10.512 28.485 -34.459 443 HG3 ARG 62 3HG ARG 62 -11.929 29.304 -35.120 444 HD2 ARG 62 2HD ARG 62 -9.901 30.388 -36.595 445 HD3 ARG 62 3HD ARG 62 -9.332 28.737 -36.348 446 HE ARG 62 HE ARG 62 -11.941 28.476 -37.135 447 HH11 ARG 62 1HH1 ARG 62 -9.080 29.957 -38.455 448 HH12 ARG 62 2HH1 ARG 62 -9.556 29.712 -40.103 449 HH21 ARG 62 1HH2 ARG 62 -12.578 28.148 -39.300 450 HH22 ARG 62 2HH2 ARG 62 -11.546 28.683 -40.583 451 H GLN 63 H GLN 63 -8.489 29.387 -30.955 452 HA GLN 63 HA GLN 63 -6.062 29.393 -32.607 453 HB2 GLN 63 2HB GLN 63 -6.610 29.778 -29.728 454 HB3 GLN 63 3HB GLN 63 -5.159 28.862 -30.110 455 HG2 GLN 63 2HG GLN 63 -5.394 31.252 -31.729 456 HG3 GLN 63 3HG GLN 63 -5.398 31.609 -30.003 457 HE21 GLN 63 1HE2 GLN 63 -3.476 31.224 -32.629 458 HE22 GLN 63 2HE2 GLN 63 -1.983 30.843 -31.847 459 H THR 64 H THR 64 -4.755 27.578 -32.782 460 HA THR 64 HA THR 64 -6.130 25.064 -32.622 461 HB THR 64 HB THR 64 -3.211 25.469 -33.274 462 HG1 THR 64 HG1 THR 64 -5.341 25.434 -35.154 463 HG21 THR 64 3HG2 THR 64 -4.028 23.481 -34.861 464 HG22 THR 64 1HG2 THR 64 -5.174 23.261 -33.538 465 HG23 THR 64 2HG2 THR 64 -3.439 23.203 -33.222 466 H LEU 65 H LEU 65 -5.371 23.186 -31.499 467 HA LEU 65 HA LEU 65 -3.492 23.594 -29.313 468 HB2 LEU 65 2HB LEU 65 -6.408 23.008 -28.967 469 HB3 LEU 65 3HB LEU 65 -5.231 22.444 -27.782 470 HG LEU 65 HG LEU 65 -4.635 25.127 -28.051 471 HD11 LEU 65 1HD1 LEU 65 -7.512 24.650 -28.572 472 HD12 LEU 65 2HD1 LEU 65 -6.459 25.955 -29.119 473 HD13 LEU 65 3HD1 LEU 65 -7.088 25.962 -27.471 474 HD21 LEU 65 3HD2 LEU 65 -6.186 25.108 -25.856 475 HD22 LEU 65 1HD2 LEU 65 -4.554 24.441 -25.903 476 HD23 LEU 65 2HD2 LEU 65 -5.947 23.373 -26.076 477 H THR 66 H THR 66 -2.192 21.895 -29.205 478 HA THR 66 HA THR 66 -3.182 19.304 -30.204 479 HB THR 66 HB THR 66 -0.428 19.106 -30.247 480 HG1 THR 66 HG1 THR 66 0.103 21.060 -31.510 481 HG21 THR 66 3HG2 THR 66 -1.676 18.190 -32.005 482 HG22 THR 66 1HG2 THR 66 -0.770 19.497 -32.765 483 HG23 THR 66 2HG2 THR 66 -2.472 19.723 -32.360 484 H LEU 67 H LEU 67 -3.499 17.880 -28.634 485 HA LEU 67 HA LEU 67 -2.002 18.132 -26.133 486 HB2 LEU 67 2HB LEU 67 -4.006 17.714 -25.277 487 HB3 LEU 67 3HB LEU 67 -4.655 17.289 -26.859 488 HG LEU 67 HG LEU 67 -3.705 14.982 -26.506 489 HD11 LEU 67 1HD1 LEU 67 -2.283 14.719 -24.820 490 HD12 LEU 67 2HD1 LEU 67 -3.664 14.854 -23.733 491 HD13 LEU 67 3HD1 LEU 67 -2.709 16.284 -24.126 492 HD21 LEU 67 3HD2 LEU 67 -6.095 16.094 -25.733 493 HD22 LEU 67 1HD2 LEU 67 -5.563 15.252 -24.278 494 HD23 LEU 67 2HD2 LEU 67 -5.731 14.369 -25.795 495 H HIS 68 H HIS 68 -0.454 16.746 -25.549 496 HA HIS 68 HA HIS 68 -0.170 14.250 -27.090 497 HB2 HIS 68 2HB HIS 68 1.883 16.288 -26.305 498 HB3 HIS 68 3HB HIS 68 2.357 14.602 -26.494 499 HD1 HIS 68 HD1 HIS 68 2.680 13.748 -28.841 500 HD2 HIS 68 HD2 HIS 68 0.919 17.510 -28.725 501 HE1 HIS 68 HE1 HIS 68 2.653 14.552 -31.224 502 H TYR 69 H TYR 69 -0.285 12.475 -25.895 503 HA TYR 69 HA TYR 69 0.697 12.524 -23.138 504 HB2 TYR 69 2HB TYR 69 -1.785 12.929 -23.146 505 HB3 TYR 69 3HB TYR 69 -1.984 11.339 -23.874 506 HD1 TYR 69 HD1 TYR 69 0.393 12.326 -21.193 507 HD2 TYR 69 HD2 TYR 69 -3.126 10.157 -22.201 508 HE1 TYR 69 HE1 TYR 69 0.386 11.308 -18.954 509 HE2 TYR 69 HE2 TYR 69 -3.144 9.134 -19.964 510 HH TYR 69 HH TYR 69 -2.073 8.919 -18.030 511 H GLN 70 H GLN 70 2.154 10.966 -22.981 512 HA GLN 70 HA GLN 70 3.213 8.961 -23.166 513 HB2 GLN 70 2HB GLN 70 0.364 8.293 -23.407 514 HB3 GLN 70 3HB GLN 70 1.441 7.110 -24.139 515 HG2 GLN 70 2HG GLN 70 2.304 7.969 -21.494 516 HG3 GLN 70 3HG GLN 70 0.713 7.211 -21.502 517 HE21 GLN 70 1HE2 GLN 70 4.105 6.770 -22.036 518 HE22 GLN 70 2HE2 GLN 70 4.077 5.046 -22.147 519 H GLY 71 H GLY 71 0.915 8.288 -25.763 520 HA2 GLY 71 2HA GLY 71 2.969 8.884 -27.765 521 HA3 GLY 71 3HA GLY 71 2.372 7.234 -27.672 522 H HIS 72 H HIS 72 0.006 9.507 -26.865 523 HA HIS 72 HA HIS 72 -1.163 9.269 -29.558 524 HB2 HIS 72 2HB HIS 72 -2.288 9.019 -26.845 525 HB3 HIS 72 3HB HIS 72 -3.267 9.959 -27.967 526 HD1 HIS 72 HD1 HIS 72 -1.370 6.664 -28.277 527 HD2 HIS 72 HD2 HIS 72 -5.087 8.329 -29.094 528 HE1 HIS 72 HE1 HIS 72 -2.713 4.822 -29.338 529 H GLU 73 H GLU 73 -1.868 11.059 -30.619 530 HA GLU 73 HA GLU 73 -1.609 13.642 -29.230 531 HB2 GLU 73 2HB GLU 73 -0.651 14.631 -31.227 532 HB3 GLU 73 3HB GLU 73 0.324 13.259 -30.719 533 HG2 GLU 73 2HG GLU 73 -1.047 11.914 -32.419 534 HG3 GLU 73 3HG GLU 73 -1.523 13.485 -33.062 535 H VAL 74 H VAL 74 -3.227 15.071 -29.535 536 HA VAL 74 HA VAL 74 -5.243 14.457 -31.592 537 HB VAL 74 HB VAL 74 -7.042 14.969 -30.102 538 HG11 VAL 74 1HG1 VAL 74 -7.059 12.949 -29.144 539 HG12 VAL 74 2HG1 VAL 74 -5.455 12.746 -29.850 540 HG13 VAL 74 3HG1 VAL 74 -5.623 13.294 -28.182 541 HG21 VAL 74 3HG2 VAL 74 -6.141 16.745 -28.801 542 HG22 VAL 74 1HG2 VAL 74 -6.576 15.455 -27.680 543 HG23 VAL 74 2HG2 VAL 74 -4.889 15.702 -28.128 544 H SER 75 H SER 75 -6.398 16.240 -32.423 545 HA SER 75 HA SER 75 -5.187 18.862 -31.832 546 HB2 SER 75 2HB SER 75 -4.657 17.721 -34.109 547 HB3 SER 75 3HB SER 75 -6.307 18.176 -34.536 548 HG SER 75 HG SER 75 -4.225 19.682 -34.741 549 H PHE 76 H PHE 76 -6.531 20.566 -31.539 550 HA PHE 76 HA PHE 76 -9.323 20.406 -32.290 551 HB2 PHE 76 2HB PHE 76 -8.931 19.309 -29.949 552 HB3 PHE 76 3HB PHE 76 -8.773 20.973 -29.397 553 HD1 PHE 76 HD2 PHE 76 -11.062 18.696 -31.234 554 HD2 PHE 76 HD1 PHE 76 -10.660 22.213 -28.871 555 HE1 PHE 76 HE2 PHE 76 -13.512 18.873 -31.087 556 HE2 PHE 76 HE1 PHE 76 -13.110 22.394 -28.718 557 HZ PHE 76 HZ PHE 76 -14.539 20.724 -29.828 558 H ASP 77 H ASP 77 -10.491 22.463 -31.551 559 HA ASP 77 HA ASP 77 -8.621 24.738 -31.668 560 HB2 ASP 77 2HB ASP 77 -10.640 25.888 -32.851 561 HB3 ASP 77 3HB ASP 77 -9.600 24.808 -33.775 562 H VAL 78 H VAL 78 -9.192 26.617 -30.535 563 HA VAL 78 HA VAL 78 -11.322 26.237 -28.530 564 HB VAL 78 HB VAL 78 -9.066 26.164 -27.536 565 HG11 VAL 78 1HG1 VAL 78 -7.845 27.548 -29.073 566 HG12 VAL 78 2HG1 VAL 78 -8.833 28.951 -28.663 567 HG13 VAL 78 3HG1 VAL 78 -7.737 28.262 -27.465 568 HG21 VAL 78 3HG2 VAL 78 -10.792 28.535 -26.850 569 HG22 VAL 78 1HG2 VAL 78 -10.817 26.929 -26.121 570 HG23 VAL 78 2HG2 VAL 78 -9.439 27.996 -25.854 571 H LEU 79 H LEU 79 -12.710 27.907 -28.132 572 HA LEU 79 HA LEU 79 -12.268 30.443 -29.537 573 HB2 LEU 79 2HB LEU 79 -13.891 28.623 -30.627 574 HB3 LEU 79 3HB LEU 79 -15.030 29.372 -29.511 575 HG LEU 79 HG LEU 79 -15.244 30.369 -31.697 576 HD11 LEU 79 1HD1 LEU 79 -15.289 32.573 -31.035 577 HD12 LEU 79 2HD1 LEU 79 -13.777 32.448 -30.137 578 HD13 LEU 79 3HD1 LEU 79 -15.252 31.739 -29.481 579 HD21 LEU 79 3HD2 LEU 79 -13.479 30.538 -33.030 580 HD22 LEU 79 1HD2 LEU 79 -12.390 30.158 -31.696 581 HD23 LEU 79 2HD2 LEU 79 -12.860 31.830 -32.001 582 H VAL 80 H VAL 80 -12.509 32.099 -28.199 583 HA VAL 80 HA VAL 80 -13.913 31.684 -25.664 584 HB VAL 80 HB VAL 80 -11.587 32.593 -25.649 585 HG11 VAL 80 1HG1 VAL 80 -11.201 34.899 -26.303 586 HG12 VAL 80 2HG1 VAL 80 -11.773 33.960 -27.684 587 HG13 VAL 80 3HG1 VAL 80 -12.875 35.047 -26.838 588 HG21 VAL 80 3HG2 VAL 80 -12.285 34.669 -24.204 589 HG22 VAL 80 1HG2 VAL 80 -13.908 34.018 -24.437 590 HG23 VAL 80 2HG2 VAL 80 -12.664 33.032 -23.667 591 H SER 81 H SER 81 -15.719 32.769 -25.092 592 HA SER 81 HA SER 81 -17.058 34.305 -27.169 593 HB2 SER 81 2HB SER 81 -17.884 32.728 -24.841 594 HB3 SER 81 3HB SER 81 -18.782 34.235 -25.017 595 HG SER 81 HG SER 81 -19.892 33.026 -26.362 596 HA PRO 82 HA PRO 82 -16.485 38.298 -25.448 597 HB2 PRO 82 2HB PRO 82 -18.915 39.451 -25.817 598 HB3 PRO 82 3HB PRO 82 -17.800 39.115 -27.146 599 HG2 PRO 82 2HG PRO 82 -20.182 37.550 -26.232 600 HG3 PRO 82 3HG PRO 82 -19.671 37.947 -27.883 601 HD2 PRO 82 2HD PRO 82 -19.208 35.528 -26.757 602 HD3 PRO 82 3HD PRO 82 -18.102 36.259 -27.938 603 H LYS 83 H LYS 83 -18.740 36.145 -24.071 604 HA LYS 83 HA LYS 83 -19.597 35.921 -21.976 605 HB2 LYS 83 2HB LYS 83 -17.226 36.542 -21.365 606 HB3 LYS 83 3HB LYS 83 -17.782 38.200 -21.182 607 HG2 LYS 83 2HG LYS 83 -19.328 36.185 -19.701 608 HG3 LYS 83 3HG LYS 83 -17.659 36.408 -19.173 609 HD2 LYS 83 2HD LYS 83 -19.339 38.821 -19.656 610 HD3 LYS 83 3HD LYS 83 -19.616 37.878 -18.190 611 HE2 LYS 83 2HE LYS 83 -17.506 38.323 -17.351 612 HE3 LYS 83 3HE LYS 83 -16.837 38.681 -18.942 613 HZ1 LYS 83 3HZ LYS 83 -17.334 40.594 -17.288 614 HZ2 LYS 83 1HZ LYS 83 -18.928 40.422 -17.830 615 HZ3 LYS 83 2HZ LYS 83 -17.697 40.793 -18.929 616 H ALA 84 H ALA 84 -21.026 36.950 -20.407 617 HA ALA 84 HA ALA 84 -21.958 39.631 -21.075 618 HB1 ALA 84 1HB ALA 84 -23.216 37.945 -22.486 619 HB2 ALA 84 2HB ALA 84 -23.933 37.366 -20.982 620 HB3 ALA 84 3HB ALA 84 -24.198 39.030 -21.502 621 H ALA 85 H ALA 85 -23.958 40.109 -19.552 622 HA ALA 85 HA ALA 85 -23.019 40.167 -16.937 623 HB1 ALA 85 1HB ALA 85 -24.608 41.756 -17.193 624 HB2 ALA 85 2HB ALA 85 -25.596 40.754 -18.258 625 HB3 ALA 85 3HB ALA 85 -25.642 40.499 -16.513 626 H LEU 86 H LEU 86 -23.692 39.089 -15.031 627 HA LEU 86 HA LEU 86 -24.851 36.420 -15.493 628 HB2 LEU 86 2HB LEU 86 -22.290 36.903 -14.723 629 HB3 LEU 86 3HB LEU 86 -23.092 36.745 -13.162 630 HG LEU 86 HG LEU 86 -23.940 34.515 -13.911 631 HD11 LEU 86 1HD1 LEU 86 -22.143 33.780 -15.857 632 HD12 LEU 86 2HD1 LEU 86 -22.660 35.385 -16.374 633 HD13 LEU 86 3HD1 LEU 86 -23.857 34.118 -16.102 634 HD21 LEU 86 3HD2 LEU 86 -21.678 33.407 -13.744 635 HD22 LEU 86 1HD2 LEU 86 -22.079 34.535 -12.448 636 HD23 LEU 86 2HD2 LEU 86 -20.979 35.027 -13.737 637 H ASN 87 H ASN 87 -25.638 35.441 -13.343 638 HA ASN 87 HA ASN 87 -27.382 37.425 -12.100 639 HB2 ASN 87 2HB ASN 87 -27.413 34.401 -12.052 640 HB3 ASN 87 3HB ASN 87 -28.563 35.412 -11.181 641 HD21 ASN 87 1HD2 ASN 87 -30.428 35.531 -12.175 642 HD22 ASN 87 2HD2 ASN 87 -30.677 35.585 -13.884 643 H ASP 88 H ASP 88 -27.455 37.829 -9.917 644 HA ASP 88 HA ASP 88 -25.040 37.452 -8.460 645 HB2 ASP 88 2HB ASP 88 -27.726 38.424 -7.464 646 HB3 ASP 88 3HB ASP 88 -26.180 38.626 -6.645 647 H GLU 89 H GLU 89 -25.459 36.807 -5.967 648 HA GLU 89 HA GLU 89 -25.660 35.060 -4.523 649 HB2 GLU 89 2HB GLU 89 -28.180 35.549 -5.505 650 HB3 GLU 89 3HB GLU 89 -27.987 33.829 -5.814 651 HG2 GLU 89 2HG GLU 89 -27.285 34.891 -3.126 652 HG3 GLU 89 3HG GLU 89 -28.984 34.700 -3.555 Start of MODEL 19 1 H SER 1 H SER 1 4.498 3.841 -1.868 2 HA SER 1 HA SER 1 6.068 3.335 -3.536 3 HB2 SER 1 2HB SER 1 4.988 1.592 -5.334 4 HB3 SER 1 3HB SER 1 5.984 1.110 -3.961 5 HG SER 1 HG SER 1 3.217 1.433 -3.617 6 HA PRO 2 HA PRO 2 4.483 6.091 -6.557 7 HB2 PRO 2 2HB PRO 2 5.950 5.463 -8.753 8 HB3 PRO 2 3HB PRO 2 6.627 6.303 -7.353 9 HG2 PRO 2 2HG PRO 2 6.783 3.403 -8.081 10 HG3 PRO 2 3HG PRO 2 8.055 4.470 -7.457 11 HD2 PRO 2 2HD PRO 2 6.716 2.722 -5.881 12 HD3 PRO 2 3HD PRO 2 7.321 4.279 -5.280 13 H LYS 3 H LYS 3 2.909 6.256 -8.094 14 HA LYS 3 HA LYS 3 1.815 3.729 -9.115 15 HB2 LYS 3 2HB LYS 3 0.211 4.936 -7.815 16 HB3 LYS 3 3HB LYS 3 0.562 6.437 -8.661 17 HG2 LYS 3 2HG LYS 3 -0.365 5.458 -10.724 18 HG3 LYS 3 3HG LYS 3 -0.781 4.002 -9.817 19 HD2 LYS 3 2HD LYS 3 -2.143 5.457 -8.292 20 HD3 LYS 3 3HD LYS 3 -1.857 6.789 -9.414 21 HE2 LYS 3 2HE LYS 3 -3.031 4.175 -10.315 22 HE3 LYS 3 3HE LYS 3 -4.034 5.471 -9.665 23 HZ1 LYS 3 3HZ LYS 3 -4.100 5.996 -11.857 24 HZ2 LYS 3 1HZ LYS 3 -2.579 5.338 -12.195 25 HZ3 LYS 3 2HZ LYS 3 -2.698 6.850 -11.447 26 H THR 4 H THR 4 2.737 3.320 -11.042 27 HA THR 4 HA THR 4 2.806 5.496 -13.028 28 HB THR 4 HB THR 4 4.319 3.422 -14.080 29 HG1 THR 4 HG1 THR 4 5.322 3.767 -11.478 30 HG21 THR 4 3HG2 THR 4 5.275 5.445 -14.445 31 HG22 THR 4 1HG2 THR 4 6.222 5.008 -13.023 32 HG23 THR 4 2HG2 THR 4 4.820 6.066 -12.859 33 H ILE 5 H ILE 5 1.284 5.400 -14.531 34 HA ILE 5 HA ILE 5 -0.301 3.042 -14.931 35 HB ILE 5 HB ILE 5 -1.573 4.337 -16.511 36 HG12 ILE 5 2HG1 ILE 5 -0.536 6.880 -16.588 37 HG13 ILE 5 3HG1 ILE 5 0.915 5.888 -16.666 38 HG21 ILE 5 1HG2 ILE 5 -2.560 5.360 -14.809 39 HG22 ILE 5 2HG2 ILE 5 -1.112 5.096 -13.839 40 HG23 ILE 5 3HG2 ILE 5 -1.290 6.583 -14.770 41 HD11 ILE 5 3HD1 ILE 5 -1.315 5.138 -18.451 42 HD12 ILE 5 1HD1 ILE 5 -0.448 6.628 -18.822 43 HD13 ILE 5 2HD1 ILE 5 0.426 5.099 -18.726 44 H LEU 6 H LEU 6 -0.726 2.179 -17.138 45 HA LEU 6 HA LEU 6 1.709 2.168 -18.793 46 HB2 LEU 6 2HB LEU 6 1.081 0.086 -17.282 47 HB3 LEU 6 3HB LEU 6 0.013 -0.268 -18.639 48 HG LEU 6 HG LEU 6 2.877 0.283 -19.222 49 HD11 LEU 6 1HD1 LEU 6 2.895 -1.242 -17.269 50 HD12 LEU 6 2HD1 LEU 6 3.537 -1.975 -18.738 51 HD13 LEU 6 3HD1 LEU 6 1.909 -2.378 -18.190 52 HD21 LEU 6 3HD2 LEU 6 0.626 -0.598 -20.634 53 HD22 LEU 6 1HD2 LEU 6 1.676 -2.006 -20.477 54 HD23 LEU 6 2HD2 LEU 6 2.293 -0.523 -21.207 55 H GLY 7 H GLY 7 -1.790 1.779 -18.648 56 HA2 GLY 7 2HA GLY 7 -1.892 2.102 -21.581 57 HA3 GLY 7 3HA GLY 7 -3.143 1.330 -20.619 58 H ILE 8 H ILE 8 -3.136 3.672 -22.514 59 HA ILE 8 HA ILE 8 -4.496 5.550 -20.701 60 HB ILE 8 HB ILE 8 -2.397 6.581 -21.322 61 HG12 ILE 8 2HG1 ILE 8 -4.722 7.754 -22.862 62 HG13 ILE 8 3HG1 ILE 8 -4.362 8.035 -21.162 63 HG21 ILE 8 1HG2 ILE 8 -1.956 5.289 -23.349 64 HG22 ILE 8 2HG2 ILE 8 -3.246 6.154 -24.183 65 HG23 ILE 8 3HG2 ILE 8 -1.807 7.021 -23.648 66 HD11 ILE 8 3HD1 ILE 8 -3.390 9.889 -21.963 67 HD12 ILE 8 1HD1 ILE 8 -2.037 8.802 -22.273 68 HD13 ILE 8 2HD1 ILE 8 -3.161 9.206 -23.572 69 H GLU 9 H GLU 9 -6.365 6.499 -21.466 70 HA GLU 9 HA GLU 9 -7.261 5.738 -24.156 71 HB2 GLU 9 2HB GLU 9 -8.337 4.792 -21.647 72 HB3 GLU 9 3HB GLU 9 -9.554 5.696 -22.537 73 HG2 GLU 9 2HG GLU 9 -9.075 4.264 -24.515 74 HG3 GLU 9 3HG GLU 9 -8.016 3.295 -23.492 75 H VAL 10 H VAL 10 -8.020 7.414 -25.263 76 HA VAL 10 HA VAL 10 -8.260 9.991 -24.030 77 HB VAL 10 HB VAL 10 -7.368 9.867 -26.267 78 HG11 VAL 10 1HG1 VAL 10 -8.154 8.465 -27.798 79 HG12 VAL 10 2HG1 VAL 10 -9.415 7.970 -26.667 80 HG13 VAL 10 3HG1 VAL 10 -9.712 9.291 -27.797 81 HG21 VAL 10 3HG2 VAL 10 -8.890 11.794 -25.509 82 HG22 VAL 10 1HG2 VAL 10 -8.525 11.652 -27.229 83 HG23 VAL 10 2HG2 VAL 10 -10.082 11.101 -26.609 84 H SER 11 H SER 11 -10.004 10.771 -23.066 85 HA SER 11 HA SER 11 -12.655 9.968 -24.041 86 HB2 SER 11 2HB SER 11 -11.620 9.815 -21.223 87 HB3 SER 11 3HB SER 11 -13.340 10.056 -21.532 88 HG SER 11 HG SER 11 -11.752 7.822 -21.945 89 H GLN 12 H GLN 12 -11.149 12.353 -24.548 90 HA GLN 12 HA GLN 12 -12.221 14.438 -22.868 91 HB2 GLN 12 2HB GLN 12 -10.857 14.809 -25.529 92 HB3 GLN 12 3HB GLN 12 -10.966 15.954 -24.199 93 HG2 GLN 12 2HG GLN 12 -9.712 13.679 -23.154 94 HG3 GLN 12 3HG GLN 12 -8.976 13.965 -24.730 95 HE21 GLN 12 1HE2 GLN 12 -7.884 14.266 -22.023 96 HE22 GLN 12 2HE2 GLN 12 -7.337 15.901 -21.918 97 H GLU 13 H GLU 13 -13.945 15.718 -23.251 98 HA GLU 13 HA GLU 13 -15.581 15.062 -25.601 99 HB2 GLU 13 2HB GLU 13 -16.175 15.618 -22.810 100 HB3 GLU 13 3HB GLU 13 -17.121 16.631 -23.892 101 HG2 GLU 13 2HG GLU 13 -18.366 14.917 -24.626 102 HG3 GLU 13 3HG GLU 13 -17.006 13.795 -24.634 103 HA PRO 14 HA PRO 14 -15.027 19.028 -27.399 104 HB2 PRO 14 2HB PRO 14 -17.444 19.406 -28.576 105 HB3 PRO 14 3HB PRO 14 -16.250 18.253 -29.184 106 HG2 PRO 14 2HG PRO 14 -18.664 17.761 -27.484 107 HG3 PRO 14 3HG PRO 14 -18.063 16.831 -28.869 108 HD2 PRO 14 2HD PRO 14 -17.640 16.065 -26.306 109 HD3 PRO 14 3HD PRO 14 -16.476 15.737 -27.605 110 H LYS 15 H LYS 15 -15.043 21.015 -26.566 111 HA LYS 15 HA LYS 15 -17.299 22.436 -25.747 112 HB2 LYS 15 2HB LYS 15 -16.179 20.676 -23.716 113 HB3 LYS 15 3HB LYS 15 -16.181 22.358 -23.203 114 HG2 LYS 15 2HG LYS 15 -18.695 21.767 -24.405 115 HG3 LYS 15 3HG LYS 15 -18.323 20.526 -23.205 116 HD2 LYS 15 2HD LYS 15 -17.893 22.286 -21.543 117 HD3 LYS 15 3HD LYS 15 -18.305 23.510 -22.746 118 HE2 LYS 15 2HE LYS 15 -20.432 23.333 -22.131 119 HE3 LYS 15 3HE LYS 15 -20.432 21.675 -22.728 120 HZ1 LYS 15 3HZ LYS 15 -21.114 22.036 -20.332 121 HZ2 LYS 15 1HZ LYS 15 -19.483 22.354 -20.010 122 HZ3 LYS 15 2HZ LYS 15 -19.947 20.844 -20.613 123 H LYS 16 H LYS 16 -14.257 22.298 -23.942 124 HA LYS 16 HA LYS 16 -12.933 24.155 -23.414 125 HB2 LYS 16 2HB LYS 16 -11.578 24.626 -25.629 126 HB3 LYS 16 3HB LYS 16 -11.425 23.092 -24.782 127 HG2 LYS 16 2HG LYS 16 -13.508 23.308 -26.883 128 HG3 LYS 16 3HG LYS 16 -11.819 23.226 -27.391 129 HD2 LYS 16 2HD LYS 16 -11.586 21.183 -25.952 130 HD3 LYS 16 3HD LYS 16 -13.334 21.230 -25.715 131 HE2 LYS 16 2HE LYS 16 -13.757 20.817 -27.992 132 HE3 LYS 16 3HE LYS 16 -12.097 21.191 -28.452 133 HZ1 LYS 16 3HZ LYS 16 -11.413 19.199 -27.163 134 HZ2 LYS 16 1HZ LYS 16 -12.372 18.845 -28.511 135 HZ3 LYS 16 2HZ LYS 16 -13.047 18.810 -26.961 136 H ASP 17 H ASP 17 -15.152 25.419 -23.352 137 HA ASP 17 HA ASP 17 -14.822 27.737 -25.139 138 HB2 ASP 17 2HB ASP 17 -16.950 26.075 -25.304 139 HB3 ASP 17 3HB ASP 17 -17.538 27.206 -24.089 140 H TYR 18 H TYR 18 -14.362 29.533 -24.068 141 HA TYR 18 HA TYR 18 -15.589 30.038 -21.471 142 HB2 TYR 18 2HB TYR 18 -12.795 29.331 -21.846 143 HB3 TYR 18 3HB TYR 18 -12.971 30.912 -21.093 144 HD1 TYR 18 HD2 TYR 18 -13.543 27.316 -20.709 145 HD2 TYR 18 HD1 TYR 18 -13.950 31.137 -18.882 146 HE1 TYR 18 HE2 TYR 18 -13.963 26.229 -18.543 147 HE2 TYR 18 HE1 TYR 18 -14.370 30.060 -16.710 148 HH TYR 18 HH TYR 18 -14.856 28.097 -15.692 149 H LEU 19 H LEU 19 -15.524 32.258 -20.832 150 HA LEU 19 HA LEU 19 -15.094 34.078 -23.106 151 HB2 LEU 19 2HB LEU 19 -16.669 35.576 -21.726 152 HB3 LEU 19 3HB LEU 19 -17.347 34.215 -22.617 153 HG LEU 19 HG LEU 19 -18.247 34.620 -20.282 154 HD11 LEU 19 1HD1 LEU 19 -18.950 32.533 -20.512 155 HD12 LEU 19 2HD1 LEU 19 -17.385 31.924 -19.977 156 HD13 LEU 19 3HD1 LEU 19 -17.669 32.239 -21.688 157 HD21 LEU 19 3HD2 LEU 19 -15.746 33.249 -19.357 158 HD22 LEU 19 1HD2 LEU 19 -16.987 34.062 -18.402 159 HD23 LEU 19 2HD2 LEU 19 -15.871 35.009 -19.387 160 H VAL 20 H VAL 20 -14.420 36.288 -22.569 161 HA VAL 20 HA VAL 20 -12.054 36.407 -21.158 162 HB VAL 20 HB VAL 20 -12.234 38.838 -21.234 163 HG11 VAL 20 1HG1 VAL 20 -12.498 37.081 -23.466 164 HG12 VAL 20 2HG1 VAL 20 -13.341 38.591 -23.820 165 HG13 VAL 20 3HG1 VAL 20 -11.638 38.617 -23.360 166 HG21 VAL 20 3HG2 VAL 20 -14.483 39.597 -22.449 167 HG22 VAL 20 1HG2 VAL 20 -15.113 38.216 -21.550 168 HG23 VAL 20 2HG2 VAL 20 -14.327 39.542 -20.693 169 H GLY 21 H GLY 21 -11.435 37.000 -19.110 170 HA2 GLY 21 2HA GLY 21 -11.909 38.006 -16.964 171 HA3 GLY 21 3HA GLY 21 -13.587 37.522 -17.164 172 H ASP 22 H ASP 22 -12.636 34.850 -18.191 173 HA ASP 22 HA ASP 22 -11.927 33.697 -15.573 174 HB2 ASP 22 2HB ASP 22 -13.852 32.778 -17.684 175 HB3 ASP 22 3HB ASP 22 -13.119 31.611 -16.587 176 H SER 23 H SER 23 -11.123 33.975 -18.883 177 HA SER 23 HA SER 23 -9.392 33.184 -20.130 178 HB2 SER 23 2HB SER 23 -8.211 33.708 -17.863 179 HB3 SER 23 3HB SER 23 -8.159 31.954 -17.682 180 HG SER 23 HG SER 23 -6.287 32.602 -18.703 181 H LEU 24 H LEU 24 -8.385 31.186 -20.940 182 HA LEU 24 HA LEU 24 -10.195 29.146 -21.342 183 HB2 LEU 24 2HB LEU 24 -7.494 29.696 -22.030 184 HB3 LEU 24 3HB LEU 24 -7.585 28.026 -21.474 185 HG LEU 24 HG LEU 24 -9.335 29.166 -23.648 186 HD11 LEU 24 1HD1 LEU 24 -6.788 29.105 -24.067 187 HD12 LEU 24 2HD1 LEU 24 -7.867 28.385 -25.262 188 HD13 LEU 24 3HD1 LEU 24 -7.001 27.355 -24.123 189 HD21 LEU 24 3HD2 LEU 24 -8.911 26.362 -23.800 190 HD22 LEU 24 1HD2 LEU 24 -10.416 27.236 -23.515 191 HD23 LEU 24 2HD2 LEU 24 -9.403 26.757 -22.153 192 H ASP 25 H ASP 25 -10.868 27.437 -20.215 193 HA ASP 25 HA ASP 25 -9.206 26.166 -18.233 194 HB2 ASP 25 2HB ASP 25 -10.518 28.248 -17.221 195 HB3 ASP 25 3HB ASP 25 -11.830 27.075 -17.148 196 H LEU 26 H LEU 26 -9.917 24.888 -20.356 197 HA LEU 26 HA LEU 26 -12.409 23.767 -20.667 198 HB2 LEU 26 2HB LEU 26 -10.809 23.318 -22.318 199 HB3 LEU 26 3HB LEU 26 -9.656 22.680 -21.147 200 HG LEU 26 HG LEU 26 -11.267 20.746 -20.825 201 HD11 LEU 26 1HD1 LEU 26 -13.241 21.792 -21.798 202 HD12 LEU 26 2HD1 LEU 26 -12.822 20.312 -22.659 203 HD13 LEU 26 3HD1 LEU 26 -12.434 21.881 -23.364 204 HD21 LEU 26 3HD2 LEU 26 -9.408 21.308 -22.975 205 HD22 LEU 26 1HD2 LEU 26 -10.621 20.116 -23.444 206 HD23 LEU 26 2HD2 LEU 26 -9.620 19.841 -22.018 207 H SER 27 H SER 27 -13.604 22.258 -19.659 208 HA SER 27 HA SER 27 -12.356 20.727 -17.478 209 HB2 SER 27 2HB SER 27 -14.213 22.795 -17.139 210 HB3 SER 27 3HB SER 27 -15.146 21.312 -16.947 211 HG SER 27 HG SER 27 -12.715 21.871 -15.594 212 H GLU 28 H GLU 28 -13.762 20.518 -20.381 213 HA GLU 28 HA GLU 28 -15.338 18.120 -19.756 214 HB2 GLU 28 2HB GLU 28 -15.430 20.156 -21.904 215 HB3 GLU 28 3HB GLU 28 -15.784 18.504 -22.389 216 HG2 GLU 28 2HG GLU 28 -17.186 19.234 -19.967 217 HG3 GLU 28 3HG GLU 28 -17.551 20.330 -21.299 218 H GLY 29 H GLY 29 -12.373 19.168 -21.094 219 HA2 GLY 29 2HA GLY 29 -11.972 16.756 -22.676 220 HA3 GLY 29 3HA GLY 29 -10.849 18.098 -22.516 221 H ARG 30 H ARG 30 -12.188 15.308 -20.795 222 HA ARG 30 HA ARG 30 -9.735 15.227 -19.168 223 HB2 ARG 30 2HB ARG 30 -10.959 14.040 -17.492 224 HB3 ARG 30 3HB ARG 30 -11.922 15.437 -17.955 225 HG2 ARG 30 2HG ARG 30 -12.675 13.263 -19.615 226 HG3 ARG 30 3HG ARG 30 -12.662 12.707 -17.940 227 HD2 ARG 30 2HD ARG 30 -14.106 14.552 -17.295 228 HD3 ARG 30 3HD ARG 30 -14.075 15.175 -18.945 229 HE ARG 30 HE ARG 30 -15.631 13.599 -19.537 230 HH11 ARG 30 1HH1 ARG 30 -14.279 12.775 -16.436 231 HH12 ARG 30 2HH1 ARG 30 -15.415 11.503 -16.133 232 HH21 ARG 30 1HH2 ARG 30 -17.132 11.926 -19.149 233 HH22 ARG 30 2HH2 ARG 30 -17.037 11.020 -17.677 234 H PHE 31 H PHE 31 -8.747 13.175 -18.779 235 HA PHE 31 HA PHE 31 -9.366 11.156 -20.834 236 HB2 PHE 31 2HB PHE 31 -7.039 10.721 -21.137 237 HB3 PHE 31 3HB PHE 31 -7.243 12.468 -21.227 238 HD1 PHE 31 HD2 PHE 31 -5.907 9.690 -19.264 239 HD2 PHE 31 HD1 PHE 31 -6.371 13.914 -19.503 240 HE1 PHE 31 HE2 PHE 31 -4.210 9.972 -17.505 241 HE2 PHE 31 HE1 PHE 31 -4.674 14.203 -17.745 242 HZ PHE 31 HZ PHE 31 -3.592 12.231 -16.743 243 H ALA 32 H ALA 32 -9.103 8.979 -20.270 244 HA ALA 32 HA ALA 32 -9.063 8.492 -17.367 245 HB1 ALA 32 1HB ALA 32 -10.091 6.427 -19.230 246 HB2 ALA 32 2HB ALA 32 -10.643 6.876 -17.616 247 HB3 ALA 32 3HB ALA 32 -11.062 7.881 -19.003 248 H VAL 33 H VAL 33 -7.292 7.575 -16.586 249 HA VAL 33 HA VAL 33 -5.627 5.946 -18.387 250 HB VAL 33 HB VAL 33 -4.630 8.027 -17.317 251 HG11 VAL 33 1HG1 VAL 33 -4.632 6.279 -14.860 252 HG12 VAL 33 2HG1 VAL 33 -3.908 7.880 -15.015 253 HG13 VAL 33 3HG1 VAL 33 -5.660 7.692 -15.097 254 HG21 VAL 33 3HG2 VAL 33 -3.327 6.143 -18.295 255 HG22 VAL 33 1HG2 VAL 33 -2.488 6.992 -16.997 256 HG23 VAL 33 2HG2 VAL 33 -3.239 5.427 -16.685 257 H ALA 34 H ALA 34 -5.030 3.901 -17.826 258 HA ALA 34 HA ALA 34 -6.391 2.756 -15.488 259 HB1 ALA 34 1HB ALA 34 -5.159 0.948 -17.463 260 HB2 ALA 34 2HB ALA 34 -6.729 0.860 -16.662 261 HB3 ALA 34 3HB ALA 34 -6.503 1.929 -18.047 262 H TYR 35 H TYR 35 -5.292 1.790 -13.869 263 HA TYR 35 HA TYR 35 -2.373 1.994 -13.945 264 HB2 TYR 35 2HB TYR 35 -3.666 3.021 -12.058 265 HB3 TYR 35 3HB TYR 35 -4.151 1.400 -11.573 266 HD1 TYR 35 HD1 TYR 35 -0.814 2.404 -12.837 267 HD2 TYR 35 HD2 TYR 35 -3.125 1.258 -9.453 268 HE1 TYR 35 HE1 TYR 35 1.246 2.189 -11.511 269 HE2 TYR 35 HE2 TYR 35 -1.072 1.041 -8.117 270 HH TYR 35 HH TYR 35 2.126 1.583 -9.561 271 H SER 36 H SER 36 -1.017 0.269 -13.474 272 HA SER 36 HA SER 36 -1.797 -2.252 -14.424 273 HB2 SER 36 2HB SER 36 0.530 -1.534 -14.480 274 HB3 SER 36 3HB SER 36 0.586 -1.487 -12.718 275 HG SER 36 HG SER 36 1.471 -3.423 -13.484 276 H ASN 37 H ASN 37 -2.201 -0.803 -11.364 277 HA ASN 37 HA ASN 37 -2.494 -3.354 -9.978 278 HB2 ASN 37 2HB ASN 37 -1.381 -1.219 -9.003 279 HB3 ASN 37 3HB ASN 37 -3.033 -0.663 -8.751 280 HD21 ASN 37 1HD2 ASN 37 -1.312 -3.744 -8.352 281 HD22 ASN 37 2HD2 ASN 37 -1.836 -4.019 -6.729 282 H ASP 38 H ASP 38 -4.337 -2.373 -12.128 283 HA ASP 38 HA ASP 38 -6.561 -2.446 -12.599 284 HB2 ASP 38 2HB ASP 38 -6.396 -4.537 -11.212 285 HB3 ASP 38 3HB ASP 38 -6.902 -3.583 -9.820 286 H THR 39 H THR 39 -6.203 -0.036 -12.375 287 HA THR 39 HA THR 39 -8.286 1.022 -10.640 288 HB THR 39 HB THR 39 -5.963 2.780 -10.568 289 HG1 THR 39 HG1 THR 39 -5.701 0.511 -8.922 290 HG21 THR 39 3HG2 THR 39 -6.539 2.559 -8.060 291 HG22 THR 39 1HG2 THR 39 -7.938 1.642 -8.617 292 HG23 THR 39 2HG2 THR 39 -7.721 3.315 -9.128 293 H MET 40 H MET 40 -8.887 3.241 -11.198 294 HA MET 40 HA MET 40 -7.957 4.154 -13.817 295 HB2 MET 40 2HB MET 40 -10.063 2.683 -13.978 296 HB3 MET 40 3HB MET 40 -10.902 4.028 -13.217 297 HG2 MET 40 2HG MET 40 -10.751 5.350 -15.057 298 HG3 MET 40 3HG MET 40 -9.240 4.620 -15.595 299 HE1 MET 40 3HE MET 40 -9.074 3.049 -17.501 300 HE2 MET 40 1HE MET 40 -10.458 2.852 -18.577 301 HE3 MET 40 2HE MET 40 -9.927 4.468 -18.109 302 H GLU 41 H GLU 41 -7.838 6.327 -14.001 303 HA GLU 41 HA GLU 41 -9.155 7.968 -11.949 304 HB2 GLU 41 2HB GLU 41 -6.399 7.469 -12.070 305 HB3 GLU 41 3HB GLU 41 -6.605 9.085 -12.729 306 HG2 GLU 41 2HG GLU 41 -7.774 9.784 -10.725 307 HG3 GLU 41 3HG GLU 41 -7.653 8.153 -10.066 308 H GLU 42 H GLU 42 -10.109 9.772 -12.693 309 HA GLU 42 HA GLU 42 -9.588 10.529 -15.494 310 HB2 GLU 42 2HB GLU 42 -12.198 10.736 -13.981 311 HB3 GLU 42 3HB GLU 42 -11.933 11.226 -15.648 312 HG2 GLU 42 2HG GLU 42 -11.564 8.966 -16.327 313 HG3 GLU 42 3HG GLU 42 -11.582 8.410 -14.654 314 H HIS 43 H HIS 43 -9.288 12.655 -15.968 315 HA HIS 43 HA HIS 43 -9.860 14.714 -14.018 316 HB2 HIS 43 2HB HIS 43 -7.180 13.603 -14.355 317 HB3 HIS 43 3HB HIS 43 -7.231 15.345 -14.613 318 HD1 HIS 43 HD1 HIS 43 -6.001 13.656 -12.115 319 HD2 HIS 43 HD2 HIS 43 -9.462 15.954 -12.192 320 HE1 HIS 43 HE1 HIS 43 -6.433 14.303 -9.723 321 H SER 44 H SER 44 -10.106 16.711 -14.930 322 HA SER 44 HA SER 44 -9.700 16.855 -17.845 323 HB2 SER 44 2HB SER 44 -11.672 18.051 -18.072 324 HB3 SER 44 3HB SER 44 -12.083 16.983 -16.730 325 HG SER 44 HG SER 44 -12.290 18.671 -15.509 326 H PHE 45 H PHE 45 -8.216 18.235 -18.531 327 HA PHE 45 HA PHE 45 -6.496 19.760 -18.371 328 HB2 PHE 45 2HB PHE 45 -8.575 21.001 -19.133 329 HB3 PHE 45 3HB PHE 45 -8.736 21.576 -17.477 330 HD1 PHE 45 HD1 PHE 45 -5.857 21.215 -19.826 331 HD2 PHE 45 HD2 PHE 45 -8.136 23.778 -17.305 332 HE1 PHE 45 HE1 PHE 45 -4.318 23.069 -20.326 333 HE2 PHE 45 HE2 PHE 45 -6.602 25.636 -17.803 334 HZ PHE 45 HZ PHE 45 -4.691 25.283 -19.315 335 H THR 46 H THR 46 -5.687 18.558 -16.423 336 HA THR 46 HA THR 46 -5.043 20.434 -14.368 337 HB THR 46 HB THR 46 -7.121 19.885 -13.372 338 HG1 THR 46 HG1 THR 46 -6.153 19.550 -11.529 339 HG21 THR 46 3HG2 THR 46 -7.561 17.868 -14.760 340 HG22 THR 46 1HG2 THR 46 -7.945 17.639 -13.055 341 HG23 THR 46 2HG2 THR 46 -6.461 16.959 -13.724 342 H ASP 47 H ASP 47 -5.162 16.999 -15.249 343 HA ASP 47 HA ASP 47 -3.084 16.037 -13.704 344 HB2 ASP 47 2HB ASP 47 -4.708 14.908 -15.506 345 HB3 ASP 47 3HB ASP 47 -3.261 15.043 -16.501 346 H GLU 48 H GLU 48 -0.878 15.913 -13.899 347 HA GLU 48 HA GLU 48 0.333 17.891 -15.668 348 HB2 GLU 48 2HB GLU 48 1.266 16.418 -13.223 349 HB3 GLU 48 3HB GLU 48 2.421 17.223 -14.276 350 HG2 GLU 48 2HG GLU 48 1.722 19.308 -13.692 351 HG3 GLU 48 3HG GLU 48 0.076 18.780 -13.345 352 H GLY 49 H GLY 49 -0.643 15.087 -16.420 353 HA2 GLY 49 2HA GLY 49 1.875 13.903 -17.343 354 HA3 GLY 49 3HA GLY 49 0.298 13.128 -17.371 355 H VAL 50 H VAL 50 -0.957 15.544 -18.550 356 HA VAL 50 HA VAL 50 -0.102 15.052 -21.316 357 HB VAL 50 HB VAL 50 -2.296 16.028 -21.953 358 HG11 VAL 50 1HG1 VAL 50 -3.641 14.104 -20.729 359 HG12 VAL 50 2HG1 VAL 50 -2.453 13.752 -21.986 360 HG13 VAL 50 3HG1 VAL 50 -2.016 13.586 -20.285 361 HG21 VAL 50 3HG2 VAL 50 -3.455 17.224 -20.484 362 HG22 VAL 50 1HG2 VAL 50 -3.692 15.775 -19.508 363 HG23 VAL 50 2HG2 VAL 50 -2.302 16.819 -19.214 364 H GLU 51 H GLU 51 0.976 16.568 -22.383 365 HA GLU 51 HA GLU 51 1.012 19.296 -21.297 366 HB2 GLU 51 2HB GLU 51 2.945 17.790 -23.053 367 HB3 GLU 51 3HB GLU 51 3.056 19.526 -22.798 368 HG2 GLU 51 2HG GLU 51 4.049 19.262 -20.836 369 HG3 GLU 51 3HG GLU 51 2.832 18.108 -20.294 370 H ILE 52 H ILE 52 0.058 20.899 -22.362 371 HA ILE 52 HA ILE 52 -1.031 20.364 -25.019 372 HB ILE 52 HB ILE 52 -1.543 22.832 -23.377 373 HG12 ILE 52 2HG1 ILE 52 -2.044 20.893 -21.965 374 HG13 ILE 52 3HG1 ILE 52 -3.527 21.701 -22.461 375 HG21 ILE 52 1HG2 ILE 52 -2.699 21.568 -25.789 376 HG22 ILE 52 2HG2 ILE 52 -3.821 22.349 -24.677 377 HG23 ILE 52 3HG2 ILE 52 -2.497 23.273 -25.387 378 HD11 ILE 52 3HD1 ILE 52 -2.396 19.197 -23.686 379 HD12 ILE 52 1HD1 ILE 52 -3.744 19.281 -22.553 380 HD13 ILE 52 2HD1 ILE 52 -3.894 19.998 -24.158 381 H SER 53 H SER 53 -0.504 21.499 -26.829 382 HA SER 53 HA SER 53 1.377 23.731 -26.597 383 HB2 SER 53 2HB SER 53 2.265 21.192 -27.235 384 HB3 SER 53 3HB SER 53 2.049 21.944 -28.815 385 HG SER 53 HG SER 53 3.820 22.579 -26.762 386 H GLY 54 H GLY 54 1.121 25.297 -28.121 387 HA2 GLY 54 2HA GLY 54 0.476 26.043 -30.315 388 HA3 GLY 54 3HA GLY 54 -0.697 24.735 -30.369 389 H TYR 55 H TYR 55 -1.242 25.592 -27.414 390 HA TYR 55 HA TYR 55 -3.419 27.371 -28.127 391 HB2 TYR 55 2HB TYR 55 -4.478 26.373 -26.429 392 HB3 TYR 55 3HB TYR 55 -3.061 25.351 -26.214 393 HD1 TYR 55 HD2 TYR 55 -1.350 25.949 -24.527 394 HD2 TYR 55 HD1 TYR 55 -4.983 28.133 -24.892 395 HE1 TYR 55 HE2 TYR 55 -0.983 26.922 -22.298 396 HE2 TYR 55 HE1 TYR 55 -4.625 29.113 -22.665 397 HH TYR 55 HH TYR 55 -1.639 28.767 -20.964 398 H ASP 56 H ASP 56 -3.607 29.476 -27.582 399 HA ASP 56 HA ASP 56 -1.347 30.688 -26.129 400 HB2 ASP 56 2HB ASP 56 -2.688 31.407 -28.634 401 HB3 ASP 56 3HB ASP 56 -2.516 32.758 -27.517 402 H ALA 57 H ALA 57 -2.187 30.703 -24.080 403 HA ALA 57 HA ALA 57 -4.819 31.301 -23.358 404 HB1 ALA 57 1HB ALA 57 -3.243 32.179 -21.238 405 HB2 ALA 57 2HB ALA 57 -3.938 30.572 -21.452 406 HB3 ALA 57 3HB ALA 57 -2.298 30.905 -22.010 407 H GLN 58 H GLN 58 -2.100 33.390 -24.061 408 HA GLN 58 HA GLN 58 -3.163 35.771 -22.965 409 HB2 GLN 58 2HB GLN 58 -0.893 35.006 -24.638 410 HB3 GLN 58 3HB GLN 58 -1.546 36.585 -25.052 411 HG2 GLN 58 2HG GLN 58 -1.435 36.982 -22.474 412 HG3 GLN 58 3HG GLN 58 -0.264 35.665 -22.527 413 HE21 GLN 58 1HE2 GLN 58 1.755 36.282 -22.727 414 HE22 GLN 58 2HE2 GLN 58 2.314 37.728 -23.488 415 H LYS 59 H LYS 59 -3.898 33.995 -25.795 416 HA LYS 59 HA LYS 59 -5.955 35.880 -26.513 417 HB2 LYS 59 2HB LYS 59 -3.429 35.770 -27.979 418 HB3 LYS 59 3HB LYS 59 -4.829 35.502 -29.009 419 HG2 LYS 59 2HG LYS 59 -5.616 37.618 -28.732 420 HG3 LYS 59 3HG LYS 59 -4.929 37.781 -27.114 421 HD2 LYS 59 2HD LYS 59 -2.964 38.572 -27.891 422 HD3 LYS 59 3HD LYS 59 -2.967 37.494 -29.289 423 HE2 LYS 59 2HE LYS 59 -4.452 38.929 -30.482 424 HE3 LYS 59 3HE LYS 59 -4.748 39.912 -29.049 425 HZ1 LYS 59 3HZ LYS 59 -2.581 40.030 -30.937 426 HZ2 LYS 59 1HZ LYS 59 -2.066 40.049 -29.326 427 HZ3 LYS 59 2HZ LYS 59 -3.159 41.216 -29.878 428 H THR 60 H THR 60 -7.611 34.506 -26.581 429 HA THR 60 HA THR 60 -7.244 31.857 -27.774 430 HB THR 60 HB THR 60 -9.736 31.676 -26.890 431 HG1 THR 60 HG1 THR 60 -8.680 33.495 -24.994 432 HG21 THR 60 3HG2 THR 60 -8.838 30.884 -24.717 433 HG22 THR 60 1HG2 THR 60 -7.281 31.599 -25.132 434 HG23 THR 60 2HG2 THR 60 -7.930 30.275 -26.100 435 H GLY 61 H GLY 61 -9.399 31.067 -28.887 436 HA2 GLY 61 2HA GLY 61 -11.274 31.833 -30.278 437 HA3 GLY 61 3HA GLY 61 -10.259 33.184 -30.760 438 H ARG 62 H ARG 62 -11.015 29.842 -31.255 439 HA ARG 62 HA ARG 62 -10.537 28.397 -32.945 440 HB2 ARG 62 2HB ARG 62 -10.965 30.655 -34.226 441 HB3 ARG 62 3HB ARG 62 -9.235 30.572 -34.533 442 HG2 ARG 62 2HG ARG 62 -10.641 28.074 -35.082 443 HG3 ARG 62 3HG ARG 62 -11.178 29.432 -36.072 444 HD2 ARG 62 2HD ARG 62 -8.329 29.466 -35.910 445 HD3 ARG 62 3HD ARG 62 -8.856 27.850 -36.376 446 HE ARG 62 HE ARG 62 -10.263 29.688 -37.930 447 HH11 ARG 62 1HH1 ARG 62 -6.988 28.600 -37.467 448 HH12 ARG 62 2HH1 ARG 62 -6.506 28.941 -39.096 449 HH21 ARG 62 1HH2 ARG 62 -9.641 30.140 -40.078 450 HH22 ARG 62 2HH2 ARG 62 -8.016 29.818 -40.580 451 H GLN 63 H GLN 63 -8.656 28.738 -30.841 452 HA GLN 63 HA GLN 63 -6.038 28.580 -32.117 453 HB2 GLN 63 2HB GLN 63 -6.615 28.284 -29.176 454 HB3 GLN 63 3HB GLN 63 -5.101 28.740 -29.945 455 HG2 GLN 63 2HG GLN 63 -7.613 30.390 -29.809 456 HG3 GLN 63 3HG GLN 63 -6.119 30.662 -28.913 457 HE21 GLN 63 1HE2 GLN 63 -4.841 32.151 -29.719 458 HE22 GLN 63 2HE2 GLN 63 -4.757 32.642 -31.373 459 H THR 64 H THR 64 -4.981 26.735 -32.494 460 HA THR 64 HA THR 64 -6.322 24.232 -32.058 461 HB THR 64 HB THR 64 -3.593 24.828 -33.215 462 HG1 THR 64 HG1 THR 64 -5.967 24.002 -34.549 463 HG21 THR 64 3HG2 THR 64 -5.148 22.256 -33.000 464 HG22 THR 64 1HG2 THR 64 -3.517 22.589 -32.420 465 HG23 THR 64 2HG2 THR 64 -3.834 22.491 -34.152 466 H LEU 65 H LEU 65 -5.871 22.663 -30.600 467 HA LEU 65 HA LEU 65 -3.605 23.099 -28.774 468 HB2 LEU 65 2HB LEU 65 -6.438 22.356 -28.090 469 HB3 LEU 65 3HB LEU 65 -5.092 22.131 -26.975 470 HG LEU 65 HG LEU 65 -4.828 24.765 -27.616 471 HD11 LEU 65 1HD1 LEU 65 -7.784 24.377 -27.289 472 HD12 LEU 65 2HD1 LEU 65 -7.033 24.502 -28.880 473 HD13 LEU 65 3HD1 LEU 65 -6.900 25.837 -27.735 474 HD21 LEU 65 3HD2 LEU 65 -4.660 24.256 -25.389 475 HD22 LEU 65 1HD2 LEU 65 -6.124 23.272 -25.389 476 HD23 LEU 65 2HD2 LEU 65 -6.244 25.032 -25.416 477 H THR 66 H THR 66 -2.294 21.408 -28.603 478 HA THR 66 HA THR 66 -3.341 18.743 -29.307 479 HB THR 66 HB THR 66 -0.488 18.938 -29.713 480 HG1 THR 66 HG1 THR 66 -2.149 20.849 -30.987 481 HG21 THR 66 3HG2 THR 66 -0.992 17.887 -31.783 482 HG22 THR 66 1HG2 THR 66 -2.655 18.470 -31.754 483 HG23 THR 66 2HG2 THR 66 -2.133 17.237 -30.607 484 H LEU 67 H LEU 67 -3.402 17.525 -27.540 485 HA LEU 67 HA LEU 67 -1.421 17.956 -25.425 486 HB2 LEU 67 2HB LEU 67 -2.906 16.956 -23.932 487 HB3 LEU 67 3HB LEU 67 -3.929 17.926 -24.990 488 HG LEU 67 HG LEU 67 -4.138 15.605 -26.272 489 HD11 LEU 67 1HD1 LEU 67 -4.220 14.456 -23.572 490 HD12 LEU 67 2HD1 LEU 67 -2.604 14.776 -24.200 491 HD13 LEU 67 3HD1 LEU 67 -3.710 13.739 -25.101 492 HD21 LEU 67 3HD2 LEU 67 -6.114 16.602 -25.645 493 HD22 LEU 67 1HD2 LEU 67 -5.640 16.725 -23.950 494 HD23 LEU 67 2HD2 LEU 67 -6.115 15.165 -24.621 495 H HIS 68 H HIS 68 0.196 16.577 -25.107 496 HA HIS 68 HA HIS 68 -0.009 13.881 -26.280 497 HB2 HIS 68 2HB HIS 68 2.279 15.832 -26.320 498 HB3 HIS 68 3HB HIS 68 2.567 14.101 -26.470 499 HD1 HIS 68 HD1 HIS 68 0.341 16.689 -28.166 500 HD2 HIS 68 HD2 HIS 68 2.583 13.304 -29.046 501 HE1 HIS 68 HE1 HIS 68 0.161 16.392 -30.657 502 H TYR 69 H TYR 69 0.280 12.254 -24.902 503 HA TYR 69 HA TYR 69 1.871 12.673 -22.482 504 HB2 TYR 69 2HB TYR 69 -0.337 13.101 -21.679 505 HB3 TYR 69 3HB TYR 69 -0.992 11.717 -22.547 506 HD1 TYR 69 HD1 TYR 69 2.125 11.731 -20.549 507 HD2 TYR 69 HD2 TYR 69 -1.954 10.537 -20.734 508 HE1 TYR 69 HE1 TYR 69 2.450 10.333 -18.552 509 HE2 TYR 69 HE2 TYR 69 -1.641 9.136 -18.737 510 HH TYR 69 HH TYR 69 0.714 9.428 -16.636 511 H GLN 70 H GLN 70 3.362 11.140 -22.458 512 HA GLN 70 HA GLN 70 4.395 9.118 -22.606 513 HB2 GLN 70 2HB GLN 70 1.591 8.457 -22.094 514 HB3 GLN 70 3HB GLN 70 2.461 7.185 -22.941 515 HG2 GLN 70 2HG GLN 70 3.719 8.416 -20.547 516 HG3 GLN 70 3HG GLN 70 2.385 7.286 -20.320 517 HE21 GLN 70 1HE2 GLN 70 5.399 7.238 -19.855 518 HE22 GLN 70 2HE2 GLN 70 5.893 5.731 -20.540 519 H GLY 71 H GLY 71 1.590 8.167 -24.538 520 HA2 GLY 71 2HA GLY 71 3.179 8.442 -26.988 521 HA3 GLY 71 3HA GLY 71 2.574 6.847 -26.567 522 H HIS 72 H HIS 72 0.474 9.281 -25.560 523 HA HIS 72 HA HIS 72 -1.257 8.774 -27.884 524 HB2 HIS 72 2HB HIS 72 -1.748 8.555 -25.119 525 HB3 HIS 72 3HB HIS 72 -2.644 9.971 -25.659 526 HD1 HIS 72 HD1 HIS 72 -4.986 9.171 -25.850 527 HD2 HIS 72 HD2 HIS 72 -2.287 6.515 -27.558 528 HE1 HIS 72 HE1 HIS 72 -6.391 7.393 -26.939 529 H GLU 73 H GLU 73 -2.334 10.465 -28.895 530 HA GLU 73 HA GLU 73 -1.667 13.189 -28.044 531 HB2 GLU 73 2HB GLU 73 -1.028 13.851 -30.278 532 HB3 GLU 73 3HB GLU 73 -0.025 12.500 -29.768 533 HG2 GLU 73 2HG GLU 73 -1.776 11.055 -31.014 534 HG3 GLU 73 3HG GLU 73 -2.206 12.570 -31.804 535 H VAL 74 H VAL 74 -3.290 14.627 -28.288 536 HA VAL 74 HA VAL 74 -5.616 13.841 -29.907 537 HB VAL 74 HB VAL 74 -5.861 15.132 -27.192 538 HG11 VAL 74 1HG1 VAL 74 -7.816 15.655 -28.251 539 HG12 VAL 74 2HG1 VAL 74 -7.759 14.235 -29.297 540 HG13 VAL 74 3HG1 VAL 74 -8.242 14.069 -27.609 541 HG21 VAL 74 3HG2 VAL 74 -5.050 12.998 -26.675 542 HG22 VAL 74 1HG2 VAL 74 -6.802 12.832 -26.566 543 HG23 VAL 74 2HG2 VAL 74 -5.946 12.239 -27.990 544 H SER 75 H SER 75 -6.695 15.492 -30.929 545 HA SER 75 HA SER 75 -5.496 18.172 -30.666 546 HB2 SER 75 2HB SER 75 -4.891 17.751 -32.821 547 HB3 SER 75 3HB SER 75 -6.139 16.526 -33.041 548 HG SER 75 HG SER 75 -6.181 19.183 -33.650 549 H PHE 76 H PHE 76 -6.829 19.916 -30.509 550 HA PHE 76 HA PHE 76 -9.636 19.766 -31.070 551 HB2 PHE 76 2HB PHE 76 -10.369 20.249 -28.740 552 HB3 PHE 76 3HB PHE 76 -9.688 18.637 -28.932 553 HD1 PHE 76 HD2 PHE 76 -7.328 18.222 -28.178 554 HD2 PHE 76 HD1 PHE 76 -9.458 21.780 -27.219 555 HE1 PHE 76 HE2 PHE 76 -5.745 18.672 -26.349 556 HE2 PHE 76 HE1 PHE 76 -7.878 22.236 -25.389 557 HZ PHE 76 HZ PHE 76 -6.019 20.681 -24.951 558 H ASP 77 H ASP 77 -10.537 21.765 -31.317 559 HA ASP 77 HA ASP 77 -8.701 24.030 -31.066 560 HB2 ASP 77 2HB ASP 77 -11.372 23.986 -32.473 561 HB3 ASP 77 3HB ASP 77 -10.078 25.167 -32.659 562 H VAL 78 H VAL 78 -9.285 25.963 -30.049 563 HA VAL 78 HA VAL 78 -11.545 25.723 -28.169 564 HB VAL 78 HB VAL 78 -9.249 25.718 -27.135 565 HG11 VAL 78 1HG1 VAL 78 -9.158 28.653 -27.722 566 HG12 VAL 78 2HG1 VAL 78 -7.865 27.583 -27.176 567 HG13 VAL 78 3HG1 VAL 78 -8.448 27.488 -28.839 568 HG21 VAL 78 3HG2 VAL 78 -10.543 26.319 -25.421 569 HG22 VAL 78 1HG2 VAL 78 -10.062 27.982 -25.760 570 HG23 VAL 78 2HG2 VAL 78 -11.553 27.338 -26.447 571 H LEU 79 H LEU 79 -12.896 27.465 -27.881 572 HA LEU 79 HA LEU 79 -12.432 29.799 -29.615 573 HB2 LEU 79 2HB LEU 79 -14.806 28.033 -29.374 574 HB3 LEU 79 3HB LEU 79 -15.089 29.758 -29.599 575 HG LEU 79 HG LEU 79 -13.309 28.231 -31.469 576 HD11 LEU 79 1HD1 LEU 79 -15.862 27.423 -31.069 577 HD12 LEU 79 2HD1 LEU 79 -15.006 27.300 -32.606 578 HD13 LEU 79 3HD1 LEU 79 -16.091 28.658 -32.307 579 HD21 LEU 79 3HD2 LEU 79 -13.069 30.389 -32.086 580 HD22 LEU 79 1HD2 LEU 79 -14.590 30.885 -31.344 581 HD23 LEU 79 2HD2 LEU 79 -14.595 30.095 -32.921 582 H VAL 80 H VAL 80 -12.740 31.752 -28.706 583 HA VAL 80 HA VAL 80 -13.812 31.807 -25.960 584 HB VAL 80 HB VAL 80 -11.426 32.350 -26.036 585 HG11 VAL 80 1HG1 VAL 80 -12.257 34.605 -27.860 586 HG12 VAL 80 2HG1 VAL 80 -10.647 34.380 -27.174 587 HG13 VAL 80 3HG1 VAL 80 -11.295 33.198 -28.312 588 HG21 VAL 80 3HG2 VAL 80 -13.433 33.815 -24.805 589 HG22 VAL 80 1HG2 VAL 80 -11.720 33.817 -24.385 590 HG23 VAL 80 2HG2 VAL 80 -12.360 35.037 -25.487 591 H SER 81 H SER 81 -15.404 33.217 -25.469 592 HA SER 81 HA SER 81 -16.288 35.050 -27.602 593 HB2 SER 81 2HB SER 81 -17.746 33.005 -26.110 594 HB3 SER 81 3HB SER 81 -18.529 34.584 -26.041 595 HG SER 81 HG SER 81 -18.589 32.859 -28.020 596 HA PRO 82 HA PRO 82 -16.182 38.420 -24.797 597 HB2 PRO 82 2HB PRO 82 -18.458 39.779 -25.386 598 HB3 PRO 82 3HB PRO 82 -17.060 39.731 -26.467 599 HG2 PRO 82 2HG PRO 82 -19.591 38.135 -26.570 600 HG3 PRO 82 3HG PRO 82 -18.705 38.915 -27.894 601 HD2 PRO 82 2HD PRO 82 -18.520 36.263 -27.382 602 HD3 PRO 82 3HD PRO 82 -17.168 37.205 -28.041 603 H LYS 83 H LYS 83 -16.603 38.682 -22.693 604 HA LYS 83 HA LYS 83 -18.207 37.036 -21.190 605 HB2 LYS 83 2HB LYS 83 -18.047 38.774 -19.404 606 HB3 LYS 83 3HB LYS 83 -16.503 38.364 -20.140 607 HG2 LYS 83 2HG LYS 83 -16.375 40.651 -20.036 608 HG3 LYS 83 3HG LYS 83 -16.999 40.411 -21.669 609 HD2 LYS 83 2HD LYS 83 -18.810 41.604 -21.182 610 HD3 LYS 83 3HD LYS 83 -19.191 40.522 -19.839 611 HE2 LYS 83 2HE LYS 83 -18.177 41.872 -18.287 612 HE3 LYS 83 3HE LYS 83 -17.057 42.563 -19.461 613 HZ1 LYS 83 3HZ LYS 83 -19.458 43.640 -18.546 614 HZ2 LYS 83 1HZ LYS 83 -19.681 43.261 -20.180 615 HZ3 LYS 83 2HZ LYS 83 -18.412 44.277 -19.713 616 H ALA 84 H ALA 84 -20.133 37.591 -19.877 617 HA ALA 84 HA ALA 84 -22.004 39.322 -21.356 618 HB1 ALA 84 1HB ALA 84 -23.631 37.737 -21.415 619 HB2 ALA 84 2HB ALA 84 -22.223 36.674 -21.443 620 HB3 ALA 84 3HB ALA 84 -23.083 36.958 -19.930 621 H ALA 85 H ALA 85 -24.082 39.611 -19.897 622 HA ALA 85 HA ALA 85 -23.096 40.628 -17.329 623 HB1 ALA 85 1HB ALA 85 -24.404 42.000 -19.159 624 HB2 ALA 85 2HB ALA 85 -25.807 41.299 -18.352 625 HB3 ALA 85 3HB ALA 85 -24.666 42.285 -17.438 626 H LEU 86 H LEU 86 -23.928 39.996 -15.396 627 HA LEU 86 HA LEU 86 -25.428 37.534 -15.354 628 HB2 LEU 86 2HB LEU 86 -24.047 39.231 -13.332 629 HB3 LEU 86 3HB LEU 86 -25.248 38.064 -12.785 630 HG LEU 86 HG LEU 86 -23.088 37.092 -14.580 631 HD11 LEU 86 1HD1 LEU 86 -22.204 38.646 -12.641 632 HD12 LEU 86 2HD1 LEU 86 -21.403 37.127 -13.042 633 HD13 LEU 86 3HD1 LEU 86 -22.506 37.206 -11.668 634 HD21 LEU 86 3HD2 LEU 86 -23.363 35.322 -12.558 635 HD22 LEU 86 1HD2 LEU 86 -24.326 35.293 -14.035 636 HD23 LEU 86 2HD2 LEU 86 -24.972 36.046 -12.576 637 H ASN 87 H ASN 87 -27.173 37.409 -13.522 638 HA ASN 87 HA ASN 87 -28.830 39.767 -13.296 639 HB2 ASN 87 2HB ASN 87 -29.373 38.693 -15.545 640 HB3 ASN 87 3HB ASN 87 -30.025 37.337 -14.628 641 HD21 ASN 87 1HD2 ASN 87 -30.393 40.713 -15.408 642 HD22 ASN 87 2HD2 ASN 87 -32.033 40.858 -14.882 643 H ASP 88 H ASP 88 -30.391 39.608 -11.675 644 HA ASP 88 HA ASP 88 -30.038 37.299 -9.897 645 HB2 ASP 88 2HB ASP 88 -31.297 39.953 -9.201 646 HB3 ASP 88 3HB ASP 88 -30.729 38.708 -8.092 647 H GLU 89 H GLU 89 -32.195 37.228 -8.381 648 HA GLU 89 HA GLU 89 -34.138 35.975 -9.968 649 HB2 GLU 89 2HB GLU 89 -33.925 36.784 -7.116 650 HB3 GLU 89 3HB GLU 89 -35.534 36.426 -7.729 651 HG2 GLU 89 2HG GLU 89 -34.891 34.380 -6.940 652 HG3 GLU 89 3HG GLU 89 -34.407 34.259 -8.630 Start of MODEL 20 1 H SER 1 H SER 1 5.270 -2.666 -4.594 2 HA SER 1 HA SER 1 4.667 -1.603 -2.673 3 HB2 SER 1 2HB SER 1 7.322 -0.581 -3.245 4 HB3 SER 1 3HB SER 1 6.329 0.635 -2.441 5 HG SER 1 HG SER 1 6.038 -0.728 -0.735 6 HA PRO 2 HA PRO 2 3.700 2.841 -4.289 7 HB2 PRO 2 2HB PRO 2 4.718 3.546 -6.706 8 HB3 PRO 2 3HB PRO 2 5.582 3.806 -5.186 9 HG2 PRO 2 2HG PRO 2 5.907 1.614 -7.199 10 HG3 PRO 2 3HG PRO 2 7.153 2.532 -6.334 11 HD2 PRO 2 2HD PRO 2 6.397 0.041 -5.587 12 HD3 PRO 2 3HD PRO 2 6.936 1.265 -4.420 13 H LYS 3 H LYS 3 1.832 3.357 -5.351 14 HA LYS 3 HA LYS 3 0.819 1.352 -7.241 15 HB2 LYS 3 2HB LYS 3 -0.599 1.590 -5.329 16 HB3 LYS 3 3HB LYS 3 -0.583 3.343 -5.459 17 HG2 LYS 3 2HG LYS 3 -1.918 3.285 -7.431 18 HG3 LYS 3 3HG LYS 3 -1.771 1.530 -7.544 19 HD2 LYS 3 2HD LYS 3 -3.943 2.113 -6.649 20 HD3 LYS 3 3HD LYS 3 -2.978 1.322 -5.400 21 HE2 LYS 3 2HE LYS 3 -2.755 3.237 -4.169 22 HE3 LYS 3 3HE LYS 3 -2.879 4.288 -5.579 23 HZ1 LYS 3 3HZ LYS 3 -5.212 3.998 -5.640 24 HZ2 LYS 3 1HZ LYS 3 -4.820 4.344 -4.031 25 HZ3 LYS 3 2HZ LYS 3 -5.173 2.756 -4.493 26 H THR 4 H THR 4 1.332 1.955 -9.262 27 HA THR 4 HA THR 4 0.609 4.692 -10.086 28 HB THR 4 HB THR 4 2.436 3.805 -11.979 29 HG1 THR 4 HG1 THR 4 3.606 3.345 -9.439 30 HG21 THR 4 3HG2 THR 4 2.585 5.680 -9.644 31 HG22 THR 4 1HG2 THR 4 2.488 6.051 -11.365 32 HG23 THR 4 2HG2 THR 4 3.989 5.425 -10.681 33 H ILE 5 H ILE 5 -0.094 4.926 -12.302 34 HA ILE 5 HA ILE 5 -1.902 2.861 -13.080 35 HB ILE 5 HB ILE 5 -2.719 4.318 -14.693 36 HG12 ILE 5 2HG1 ILE 5 -0.716 4.661 -15.993 37 HG13 ILE 5 3HG1 ILE 5 -1.392 6.237 -15.596 38 HG21 ILE 5 1HG2 ILE 5 -3.293 6.093 -13.431 39 HG22 ILE 5 2HG2 ILE 5 -2.389 5.243 -12.179 40 HG23 ILE 5 3HG2 ILE 5 -1.618 6.534 -13.101 41 HD11 ILE 5 3HD1 ILE 5 1.001 6.278 -15.361 42 HD12 ILE 5 1HD1 ILE 5 0.246 6.450 -13.776 43 HD13 ILE 5 2HD1 ILE 5 0.948 4.904 -14.257 44 H LEU 6 H LEU 6 -1.960 2.416 -15.611 45 HA LEU 6 HA LEU 6 0.708 1.836 -16.639 46 HB2 LEU 6 2HB LEU 6 -0.013 -0.503 -17.184 47 HB3 LEU 6 3HB LEU 6 0.279 -0.174 -15.478 48 HG LEU 6 HG LEU 6 -2.415 0.266 -15.696 49 HD11 LEU 6 1HD1 LEU 6 -3.355 -0.878 -17.351 50 HD12 LEU 6 2HD1 LEU 6 -2.401 -2.315 -16.985 51 HD13 LEU 6 3HD1 LEU 6 -1.744 -1.068 -18.044 52 HD21 LEU 6 3HD2 LEU 6 -1.138 -1.012 -13.975 53 HD22 LEU 6 1HD2 LEU 6 -1.124 -2.387 -15.080 54 HD23 LEU 6 2HD2 LEU 6 -2.655 -1.769 -14.461 55 H GLY 7 H GLY 7 -2.786 1.446 -17.220 56 HA2 GLY 7 2HA GLY 7 -2.295 1.902 -20.086 57 HA3 GLY 7 3HA GLY 7 -3.744 1.180 -19.402 58 H ILE 8 H ILE 8 -3.476 3.424 -21.265 59 HA ILE 8 HA ILE 8 -4.996 5.392 -19.702 60 HB ILE 8 HB ILE 8 -2.693 6.247 -20.019 61 HG12 ILE 8 2HG1 ILE 8 -4.978 7.615 -20.183 62 HG13 ILE 8 3HG1 ILE 8 -3.410 8.394 -20.366 63 HG21 ILE 8 1HG2 ILE 8 -2.052 6.958 -22.337 64 HG22 ILE 8 2HG2 ILE 8 -2.053 5.216 -22.066 65 HG23 ILE 8 3HG2 ILE 8 -3.387 5.973 -22.936 66 HD11 ILE 8 3HD1 ILE 8 -5.296 8.896 -22.057 67 HD12 ILE 8 1HD1 ILE 8 -3.654 8.636 -22.644 68 HD13 ILE 8 2HD1 ILE 8 -4.847 7.342 -22.759 69 H GLU 9 H GLU 9 -6.668 6.399 -20.782 70 HA GLU 9 HA GLU 9 -7.101 5.668 -23.591 71 HB2 GLU 9 2HB GLU 9 -8.552 4.619 -21.383 72 HB3 GLU 9 3HB GLU 9 -9.623 5.713 -22.248 73 HG2 GLU 9 2HG GLU 9 -9.033 4.487 -24.348 74 HG3 GLU 9 3HG GLU 9 -8.186 3.312 -23.344 75 H VAL 10 H VAL 10 -7.616 7.366 -24.801 76 HA VAL 10 HA VAL 10 -7.970 9.949 -23.624 77 HB VAL 10 HB VAL 10 -6.765 9.763 -25.712 78 HG11 VAL 10 1HG1 VAL 10 -8.836 7.976 -26.405 79 HG12 VAL 10 2HG1 VAL 10 -8.888 9.305 -27.565 80 HG13 VAL 10 3HG1 VAL 10 -7.398 8.390 -27.337 81 HG21 VAL 10 3HG2 VAL 10 -7.509 11.734 -26.494 82 HG22 VAL 10 1HG2 VAL 10 -9.142 11.122 -26.762 83 HG23 VAL 10 2HG2 VAL 10 -8.649 11.644 -25.151 84 H SER 11 H SER 11 -9.806 10.848 -22.983 85 HA SER 11 HA SER 11 -12.314 10.075 -24.298 86 HB2 SER 11 2HB SER 11 -12.175 8.798 -22.205 87 HB3 SER 11 3HB SER 11 -11.917 10.291 -21.303 88 HG SER 11 HG SER 11 -14.114 9.570 -21.283 89 H GLN 12 H GLN 12 -10.709 12.387 -24.718 90 HA GLN 12 HA GLN 12 -11.885 14.581 -23.268 91 HB2 GLN 12 2HB GLN 12 -10.533 16.000 -24.730 92 HB3 GLN 12 3HB GLN 12 -9.565 14.704 -24.041 93 HG2 GLN 12 2HG GLN 12 -8.862 14.702 -26.222 94 HG3 GLN 12 3HG GLN 12 -10.121 13.468 -26.255 95 HE21 GLN 12 1HE2 GLN 12 -10.921 13.611 -28.247 96 HE22 GLN 12 2HE2 GLN 12 -11.555 15.048 -28.967 97 H GLU 13 H GLU 13 -13.494 15.920 -23.904 98 HA GLU 13 HA GLU 13 -14.911 15.184 -26.373 99 HB2 GLU 13 2HB GLU 13 -15.818 16.335 -23.755 100 HB3 GLU 13 3HB GLU 13 -16.789 16.558 -25.203 101 HG2 GLU 13 2HG GLU 13 -17.146 14.243 -25.445 102 HG3 GLU 13 3HG GLU 13 -15.894 13.852 -24.269 103 HA PRO 14 HA PRO 14 -14.084 19.061 -28.255 104 HB2 PRO 14 2HB PRO 14 -16.370 19.461 -29.664 105 HB3 PRO 14 3HB PRO 14 -15.163 18.252 -30.116 106 HG2 PRO 14 2HG PRO 14 -17.737 17.895 -28.630 107 HG3 PRO 14 3HG PRO 14 -17.041 16.895 -29.918 108 HD2 PRO 14 2HD PRO 14 -16.879 16.219 -27.301 109 HD3 PRO 14 3HD PRO 14 -15.611 15.807 -28.474 110 H LYS 15 H LYS 15 -14.125 21.091 -27.529 111 HA LYS 15 HA LYS 15 -16.454 22.537 -26.901 112 HB2 LYS 15 2HB LYS 15 -16.595 21.182 -24.915 113 HB3 LYS 15 3HB LYS 15 -14.898 21.463 -24.545 114 HG2 LYS 15 2HG LYS 15 -16.168 23.987 -24.749 115 HG3 LYS 15 3HG LYS 15 -17.166 22.953 -23.724 116 HD2 LYS 15 2HD LYS 15 -14.937 22.352 -22.562 117 HD3 LYS 15 3HD LYS 15 -14.315 23.805 -23.348 118 HE2 LYS 15 2HE LYS 15 -16.620 24.750 -22.296 119 HE3 LYS 15 3HE LYS 15 -16.206 23.516 -21.107 120 HZ1 LYS 15 3HZ LYS 15 -13.858 24.835 -21.581 121 HZ2 LYS 15 1HZ LYS 15 -14.857 25.025 -20.229 122 HZ3 LYS 15 2HZ LYS 15 -15.015 26.069 -21.550 123 H LYS 16 H LYS 16 -13.507 22.684 -24.974 124 HA LYS 16 HA LYS 16 -12.047 24.423 -24.663 125 HB2 LYS 16 2HB LYS 16 -11.881 24.601 -27.653 126 HB3 LYS 16 3HB LYS 16 -10.591 24.721 -26.463 127 HG2 LYS 16 2HG LYS 16 -11.622 22.160 -26.131 128 HG3 LYS 16 3HG LYS 16 -11.584 22.415 -27.878 129 HD2 LYS 16 2HD LYS 16 -9.468 21.573 -27.457 130 HD3 LYS 16 3HD LYS 16 -9.187 23.316 -27.432 131 HE2 LYS 16 2HE LYS 16 -8.688 23.328 -25.239 132 HE3 LYS 16 3HE LYS 16 -9.944 22.155 -24.844 133 HZ1 LYS 16 3HZ LYS 16 -7.481 21.498 -24.583 134 HZ2 LYS 16 1HZ LYS 16 -7.512 21.290 -26.262 135 HZ3 LYS 16 2HZ LYS 16 -8.552 20.389 -25.279 136 H ASP 17 H ASP 17 -14.534 25.422 -24.401 137 HA ASP 17 HA ASP 17 -14.359 28.018 -25.783 138 HB2 ASP 17 2HB ASP 17 -16.356 26.263 -26.248 139 HB3 ASP 17 3HB ASP 17 -17.028 27.120 -24.863 140 H TYR 18 H TYR 18 -14.214 29.727 -24.485 141 HA TYR 18 HA TYR 18 -15.204 29.507 -21.728 142 HB2 TYR 18 2HB TYR 18 -13.225 30.280 -20.773 143 HB3 TYR 18 3HB TYR 18 -12.642 29.192 -22.028 144 HD1 TYR 18 HD2 TYR 18 -11.814 30.172 -24.196 145 HD2 TYR 18 HD1 TYR 18 -12.650 32.571 -20.783 146 HE1 TYR 18 HE2 TYR 18 -10.460 31.990 -25.150 147 HE2 TYR 18 HE1 TYR 18 -11.299 34.396 -21.728 148 HH TYR 18 HH TYR 18 -9.842 34.964 -23.342 149 H LEU 19 H LEU 19 -15.820 31.473 -20.753 150 HA LEU 19 HA LEU 19 -16.688 33.477 -22.659 151 HB2 LEU 19 2HB LEU 19 -17.228 32.947 -19.761 152 HB3 LEU 19 3HB LEU 19 -17.684 34.483 -20.495 153 HG LEU 19 HG LEU 19 -19.605 33.054 -20.440 154 HD11 LEU 19 1HD1 LEU 19 -18.551 34.177 -22.778 155 HD12 LEU 19 2HD1 LEU 19 -20.236 33.788 -22.434 156 HD13 LEU 19 3HD1 LEU 19 -19.208 32.609 -23.247 157 HD21 LEU 19 3HD2 LEU 19 -17.879 30.972 -20.622 158 HD22 LEU 19 1HD2 LEU 19 -18.543 31.004 -22.256 159 HD23 LEU 19 2HD2 LEU 19 -19.621 30.848 -20.869 160 H VAL 20 H VAL 20 -16.273 35.729 -22.429 161 HA VAL 20 HA VAL 20 -13.638 36.464 -22.136 162 HB VAL 20 HB VAL 20 -16.036 38.243 -21.674 163 HG11 VAL 20 1HG1 VAL 20 -14.192 39.850 -22.769 164 HG12 VAL 20 2HG1 VAL 20 -14.381 39.645 -21.027 165 HG13 VAL 20 3HG1 VAL 20 -13.133 38.748 -21.892 166 HG21 VAL 20 3HG2 VAL 20 -15.192 36.865 -23.998 167 HG22 VAL 20 1HG2 VAL 20 -16.477 38.063 -23.842 168 HG23 VAL 20 2HG2 VAL 20 -14.836 38.575 -24.237 169 H GLY 21 H GLY 21 -12.311 36.866 -20.480 170 HA2 GLY 21 2HA GLY 21 -11.728 37.698 -18.350 171 HA3 GLY 21 3HA GLY 21 -13.418 37.606 -17.877 172 H ASP 22 H ASP 22 -13.631 34.837 -18.935 173 HA ASP 22 HA ASP 22 -12.885 33.490 -16.526 174 HB2 ASP 22 2HB ASP 22 -14.788 33.069 -18.459 175 HB3 ASP 22 3HB ASP 22 -13.620 31.797 -18.808 176 H SER 23 H SER 23 -11.418 33.975 -19.604 177 HA SER 23 HA SER 23 -9.401 33.363 -20.461 178 HB2 SER 23 2HB SER 23 -8.516 32.038 -17.947 179 HB3 SER 23 3HB SER 23 -7.645 33.152 -19.001 180 HG SER 23 HG SER 23 -8.114 34.537 -17.484 181 H LEU 24 H LEU 24 -8.264 31.536 -21.294 182 HA LEU 24 HA LEU 24 -9.812 29.360 -21.963 183 HB2 LEU 24 2HB LEU 24 -7.047 30.139 -22.234 184 HB3 LEU 24 3HB LEU 24 -7.190 28.401 -21.977 185 HG LEU 24 HG LEU 24 -9.084 29.227 -23.960 186 HD11 LEU 24 1HD1 LEU 24 -7.762 31.097 -24.511 187 HD12 LEU 24 2HD1 LEU 24 -7.345 29.852 -25.688 188 HD13 LEU 24 3HD1 LEU 24 -6.261 30.187 -24.338 189 HD21 LEU 24 3HD2 LEU 24 -6.764 27.366 -23.729 190 HD22 LEU 24 1HD2 LEU 24 -7.459 27.689 -25.317 191 HD23 LEU 24 2HD2 LEU 24 -8.466 27.015 -24.035 192 H ASP 25 H ASP 25 -10.400 27.518 -21.005 193 HA ASP 25 HA ASP 25 -8.836 26.164 -19.061 194 HB2 ASP 25 2HB ASP 25 -10.909 28.060 -18.123 195 HB3 ASP 25 3HB ASP 25 -10.907 26.475 -17.356 196 H LEU 26 H LEU 26 -9.461 24.800 -20.990 197 HA LEU 26 HA LEU 26 -12.008 23.890 -21.534 198 HB2 LEU 26 2HB LEU 26 -10.290 23.233 -22.986 199 HB3 LEU 26 3HB LEU 26 -9.327 22.553 -21.676 200 HG LEU 26 HG LEU 26 -11.230 20.824 -21.469 201 HD11 LEU 26 1HD1 LEU 26 -12.921 21.747 -22.811 202 HD12 LEU 26 2HD1 LEU 26 -12.269 20.404 -23.749 203 HD13 LEU 26 3HD1 LEU 26 -11.809 22.059 -24.144 204 HD21 LEU 26 3HD2 LEU 26 -10.092 20.041 -23.937 205 HD22 LEU 26 1HD2 LEU 26 -9.617 19.556 -22.309 206 HD23 LEU 26 2HD2 LEU 26 -8.873 20.968 -23.060 207 H SER 27 H SER 27 -13.341 22.306 -20.742 208 HA SER 27 HA SER 27 -12.490 20.888 -18.317 209 HB2 SER 27 2HB SER 27 -14.445 21.473 -17.108 210 HB3 SER 27 3HB SER 27 -13.863 22.985 -17.805 211 HG SER 27 HG SER 27 -15.838 23.100 -18.532 212 H GLU 28 H GLU 28 -13.465 20.574 -21.358 213 HA GLU 28 HA GLU 28 -15.266 18.307 -20.849 214 HB2 GLU 28 2HB GLU 28 -14.752 19.933 -23.340 215 HB3 GLU 28 3HB GLU 28 -15.711 18.460 -23.331 216 HG2 GLU 28 2HG GLU 28 -16.304 21.047 -21.925 217 HG3 GLU 28 3HG GLU 28 -17.209 20.295 -23.238 218 H GLY 29 H GLY 29 -12.096 19.136 -21.829 219 HA2 GLY 29 2HA GLY 29 -11.636 16.593 -23.185 220 HA3 GLY 29 3HA GLY 29 -10.484 17.910 -23.024 221 H ARG 30 H ARG 30 -12.061 15.278 -21.272 222 HA ARG 30 HA ARG 30 -9.824 15.300 -19.358 223 HB2 ARG 30 2HB ARG 30 -11.257 14.245 -17.761 224 HB3 ARG 30 3HB ARG 30 -12.136 15.612 -18.433 225 HG2 ARG 30 2HG ARG 30 -12.716 13.324 -20.011 226 HG3 ARG 30 3HG ARG 30 -12.918 12.899 -18.310 227 HD2 ARG 30 2HD ARG 30 -14.338 14.911 -18.027 228 HD3 ARG 30 3HD ARG 30 -14.201 15.211 -19.759 229 HE ARG 30 HE ARG 30 -15.802 13.627 -20.098 230 HH11 ARG 30 1HH1 ARG 30 -14.375 13.106 -16.966 231 HH12 ARG 30 2HH1 ARG 30 -15.472 11.837 -16.533 232 HH21 ARG 30 1HH2 ARG 30 -17.252 11.956 -19.539 233 HH22 ARG 30 2HH2 ARG 30 -17.107 11.183 -17.998 234 H PHE 31 H PHE 31 -8.932 13.268 -18.700 235 HA PHE 31 HA PHE 31 -9.307 11.127 -20.690 236 HB2 PHE 31 2HB PHE 31 -6.977 10.647 -20.640 237 HB3 PHE 31 3HB PHE 31 -7.113 12.393 -20.820 238 HD1 PHE 31 HD2 PHE 31 -7.056 13.752 -18.585 239 HD2 PHE 31 HD1 PHE 31 -5.566 9.791 -19.040 240 HE1 PHE 31 HE2 PHE 31 -5.626 14.067 -16.608 241 HE2 PHE 31 HE1 PHE 31 -4.135 10.099 -17.062 242 HZ PHE 31 HZ PHE 31 -4.163 12.239 -15.844 243 H ALA 32 H ALA 32 -9.204 8.989 -19.966 244 HA ALA 32 HA ALA 32 -9.584 8.681 -17.064 245 HB1 ALA 32 1HB ALA 32 -10.412 6.399 -18.634 246 HB2 ALA 32 2HB ALA 32 -11.333 7.374 -17.488 247 HB3 ALA 32 3HB ALA 32 -11.203 7.880 -19.172 248 H VAL 33 H VAL 33 -7.973 7.764 -15.991 249 HA VAL 33 HA VAL 33 -6.124 5.998 -17.449 250 HB VAL 33 HB VAL 33 -5.182 8.073 -16.377 251 HG11 VAL 33 1HG1 VAL 33 -6.729 7.409 -14.248 252 HG12 VAL 33 2HG1 VAL 33 -5.153 6.809 -13.728 253 HG13 VAL 33 3HG1 VAL 33 -5.348 8.504 -14.178 254 HG21 VAL 33 3HG2 VAL 33 -3.273 6.833 -15.290 255 HG22 VAL 33 1HG2 VAL 33 -4.194 5.352 -15.554 256 HG23 VAL 33 2HG2 VAL 33 -3.676 6.326 -16.930 257 H ALA 34 H ALA 34 -5.693 3.964 -16.724 258 HA ALA 34 HA ALA 34 -7.404 2.979 -14.547 259 HB1 ALA 34 1HB ALA 34 -7.559 0.964 -15.616 260 HB2 ALA 34 2HB ALA 34 -7.356 2.032 -17.005 261 HB3 ALA 34 3HB ALA 34 -5.979 1.123 -16.384 262 H TYR 35 H TYR 35 -6.568 2.052 -12.758 263 HA TYR 35 HA TYR 35 -3.652 2.113 -12.475 264 HB2 TYR 35 2HB TYR 35 -5.933 2.200 -10.525 265 HB3 TYR 35 3HB TYR 35 -4.322 1.742 -9.986 266 HD1 TYR 35 HD1 TYR 35 -6.017 4.433 -11.950 267 HD2 TYR 35 HD2 TYR 35 -2.911 3.408 -9.229 268 HE1 TYR 35 HE1 TYR 35 -5.418 6.810 -11.747 269 HE2 TYR 35 HE2 TYR 35 -2.304 5.782 -9.018 270 HH TYR 35 HH TYR 35 -3.059 7.917 -9.408 271 H SER 36 H SER 36 -2.658 0.377 -11.139 272 HA SER 36 HA SER 36 -3.505 -2.200 -12.151 273 HB2 SER 36 2HB SER 36 -1.354 -2.853 -11.841 274 HB3 SER 36 3HB SER 36 -1.046 -1.122 -11.702 275 HG SER 36 HG SER 36 -1.297 -1.364 -9.424 276 H ASN 37 H ASN 37 -3.991 -0.366 -9.348 277 HA ASN 37 HA ASN 37 -4.451 -2.700 -7.653 278 HB2 ASN 37 2HB ASN 37 -3.243 -0.635 -6.812 279 HB3 ASN 37 3HB ASN 37 -4.788 0.205 -6.898 280 HD21 ASN 37 1HD2 ASN 37 -4.888 0.567 -4.706 281 HD22 ASN 37 2HD2 ASN 37 -5.179 -0.695 -3.563 282 H ASP 38 H ASP 38 -6.148 -1.922 -9.997 283 HA ASP 38 HA ASP 38 -8.351 -1.986 -10.559 284 HB2 ASP 38 2HB ASP 38 -9.004 -2.579 -7.679 285 HB3 ASP 38 3HB ASP 38 -9.872 -3.087 -9.125 286 H THR 39 H THR 39 -7.808 0.423 -10.655 287 HA THR 39 HA THR 39 -9.985 1.850 -9.413 288 HB THR 39 HB THR 39 -7.797 3.565 -8.914 289 HG1 THR 39 HG1 THR 39 -6.264 2.249 -8.308 290 HG21 THR 39 3HG2 THR 39 -10.043 3.315 -7.744 291 HG22 THR 39 1HG2 THR 39 -8.648 3.616 -6.709 292 HG23 THR 39 2HG2 THR 39 -9.310 1.987 -6.844 293 H MET 40 H MET 40 -10.151 4.091 -10.222 294 HA MET 40 HA MET 40 -8.638 4.610 -12.672 295 HB2 MET 40 2HB MET 40 -11.544 4.058 -12.479 296 HB3 MET 40 3HB MET 40 -11.071 5.399 -13.513 297 HG2 MET 40 2HG MET 40 -9.488 3.822 -14.658 298 HG3 MET 40 3HG MET 40 -10.248 2.521 -13.745 299 HE1 MET 40 3HE MET 40 -12.733 1.545 -14.324 300 HE2 MET 40 1HE MET 40 -13.112 3.075 -13.532 301 HE3 MET 40 2HE MET 40 -13.924 2.636 -15.035 302 H GLU 41 H GLU 41 -8.561 6.799 -13.291 303 HA GLU 41 HA GLU 41 -9.707 8.714 -11.378 304 HB2 GLU 41 2HB GLU 41 -6.896 8.152 -11.866 305 HB3 GLU 41 3HB GLU 41 -7.285 9.841 -12.159 306 HG2 GLU 41 2HG GLU 41 -8.552 9.107 -9.750 307 HG3 GLU 41 3HG GLU 41 -6.902 8.491 -9.684 308 H GLU 42 H GLU 42 -10.589 10.489 -12.271 309 HA GLU 42 HA GLU 42 -10.165 10.906 -15.158 310 HB2 GLU 42 2HB GLU 42 -12.444 11.583 -15.387 311 HB3 GLU 42 3HB GLU 42 -12.439 10.057 -14.514 312 HG2 GLU 42 2HG GLU 42 -12.527 11.503 -12.396 313 HG3 GLU 42 3HG GLU 42 -12.998 12.809 -13.482 314 H HIS 43 H HIS 43 -9.692 12.922 -15.862 315 HA HIS 43 HA HIS 43 -10.082 15.232 -14.163 316 HB2 HIS 43 2HB HIS 43 -7.469 13.920 -14.462 317 HB3 HIS 43 3HB HIS 43 -7.450 15.647 -14.805 318 HD1 HIS 43 HD1 HIS 43 -9.480 16.567 -12.651 319 HD2 HIS 43 HD2 HIS 43 -6.348 13.923 -11.972 320 HE1 HIS 43 HE1 HIS 43 -9.009 16.702 -10.184 321 H SER 44 H SER 44 -10.200 17.122 -15.301 322 HA SER 44 HA SER 44 -9.753 16.922 -18.208 323 HB2 SER 44 2HB SER 44 -11.719 18.057 -18.641 324 HB3 SER 44 3HB SER 44 -12.177 17.177 -17.183 325 HG SER 44 HG SER 44 -12.046 18.999 -16.018 326 H PHE 45 H PHE 45 -8.255 18.234 -18.992 327 HA PHE 45 HA PHE 45 -6.559 19.785 -18.969 328 HB2 PHE 45 2HB PHE 45 -8.687 20.951 -19.789 329 HB3 PHE 45 3HB PHE 45 -8.755 21.699 -18.197 330 HD1 PHE 45 HD1 PHE 45 -6.870 21.483 -21.337 331 HD2 PHE 45 HD2 PHE 45 -7.240 23.439 -17.575 332 HE1 PHE 45 HE1 PHE 45 -5.326 23.240 -22.102 333 HE2 PHE 45 HE2 PHE 45 -5.698 25.199 -18.334 334 HZ PHE 45 HZ PHE 45 -4.740 25.101 -20.601 335 H THR 46 H THR 46 -5.729 18.750 -16.944 336 HA THR 46 HA THR 46 -5.125 20.785 -15.026 337 HB THR 46 HB THR 46 -7.149 20.257 -13.948 338 HG1 THR 46 HG1 THR 46 -6.330 18.869 -12.108 339 HG21 THR 46 3HG2 THR 46 -7.923 17.986 -13.510 340 HG22 THR 46 1HG2 THR 46 -6.491 17.330 -14.301 341 HG23 THR 46 2HG2 THR 46 -7.681 18.233 -15.239 342 H ASP 47 H ASP 47 -5.117 17.310 -15.722 343 HA ASP 47 HA ASP 47 -3.025 16.490 -14.122 344 HB2 ASP 47 2HB ASP 47 -4.309 14.867 -15.338 345 HB3 ASP 47 3HB ASP 47 -3.823 15.560 -16.883 346 H GLU 48 H GLU 48 -0.799 16.333 -14.359 347 HA GLU 48 HA GLU 48 0.366 18.338 -16.138 348 HB2 GLU 48 2HB GLU 48 1.266 16.969 -13.634 349 HB3 GLU 48 3HB GLU 48 2.471 17.652 -14.717 350 HG2 GLU 48 2HG GLU 48 0.201 19.395 -13.984 351 HG3 GLU 48 3HG GLU 48 1.365 19.019 -12.715 352 H GLY 49 H GLY 49 -0.574 15.679 -17.065 353 HA2 GLY 49 2HA GLY 49 1.972 14.445 -17.869 354 HA3 GLY 49 3HA GLY 49 0.394 13.676 -17.952 355 H VAL 50 H VAL 50 -0.729 16.225 -19.112 356 HA VAL 50 HA VAL 50 0.203 15.752 -21.864 357 HB VAL 50 HB VAL 50 -1.958 16.515 -22.637 358 HG11 VAL 50 1HG1 VAL 50 -2.528 14.379 -22.410 359 HG12 VAL 50 2HG1 VAL 50 -1.584 14.229 -20.927 360 HG13 VAL 50 3HG1 VAL 50 -3.253 14.793 -20.857 361 HG21 VAL 50 3HG2 VAL 50 -3.762 17.031 -21.005 362 HG22 VAL 50 1HG2 VAL 50 -2.551 17.009 -19.722 363 HG23 VAL 50 2HG2 VAL 50 -2.453 18.213 -21.007 364 H GLU 51 H GLU 51 0.719 17.455 -23.199 365 HA GLU 51 HA GLU 51 0.719 20.137 -21.986 366 HB2 GLU 51 2HB GLU 51 2.960 18.821 -23.527 367 HB3 GLU 51 3HB GLU 51 2.915 20.532 -23.126 368 HG2 GLU 51 2HG GLU 51 2.666 19.726 -20.691 369 HG3 GLU 51 3HG GLU 51 3.248 18.182 -21.311 370 H ILE 52 H ILE 52 -0.336 21.565 -23.183 371 HA ILE 52 HA ILE 52 -0.837 20.954 -26.006 372 HB ILE 52 HB ILE 52 -2.237 22.709 -24.014 373 HG12 ILE 52 2HG1 ILE 52 -4.212 21.420 -24.937 374 HG13 ILE 52 3HG1 ILE 52 -3.056 20.440 -25.833 375 HG21 ILE 52 1HG2 ILE 52 -2.237 24.201 -25.776 376 HG22 ILE 52 2HG2 ILE 52 -2.256 22.926 -26.992 377 HG23 ILE 52 3HG2 ILE 52 -3.716 23.289 -26.073 378 HD11 ILE 52 3HD1 ILE 52 -3.955 19.613 -23.554 379 HD12 ILE 52 1HD1 ILE 52 -2.243 19.431 -23.931 380 HD13 ILE 52 2HD1 ILE 52 -2.780 20.740 -22.879 381 H SER 53 H SER 53 -0.204 22.269 -27.643 382 HA SER 53 HA SER 53 1.276 24.712 -26.919 383 HB2 SER 53 2HB SER 53 2.426 22.431 -27.953 384 HB3 SER 53 3HB SER 53 2.159 23.412 -29.394 385 HG SER 53 HG SER 53 4.045 24.167 -28.704 386 H GLY 54 H GLY 54 1.211 26.431 -28.420 387 HA2 GLY 54 2HA GLY 54 0.473 27.499 -30.399 388 HA3 GLY 54 3HA GLY 54 -0.623 26.156 -30.687 389 H TYR 55 H TYR 55 -1.282 26.510 -27.656 390 HA TYR 55 HA TYR 55 -3.529 28.281 -28.152 391 HB2 TYR 55 2HB TYR 55 -4.570 26.884 -26.756 392 HB3 TYR 55 3HB TYR 55 -3.064 26.006 -26.515 393 HD1 TYR 55 HD2 TYR 55 -5.179 28.738 -25.205 394 HD2 TYR 55 HD1 TYR 55 -1.836 26.205 -24.487 395 HE1 TYR 55 HE2 TYR 55 -5.138 29.466 -22.856 396 HE2 TYR 55 HE1 TYR 55 -1.787 26.926 -22.136 397 HH TYR 55 HH TYR 55 -2.844 28.077 -20.541 398 H ASP 56 H ASP 56 -3.781 30.280 -27.349 399 HA ASP 56 HA ASP 56 -1.618 31.336 -25.656 400 HB2 ASP 56 2HB ASP 56 -2.056 32.322 -27.983 401 HB3 ASP 56 3HB ASP 56 -3.526 33.000 -27.290 402 H ALA 57 H ALA 57 -2.122 31.636 -23.598 403 HA ALA 57 HA ALA 57 -4.847 31.626 -22.692 404 HB1 ALA 57 1HB ALA 57 -4.009 31.335 -20.587 405 HB2 ALA 57 2HB ALA 57 -2.645 30.744 -21.537 406 HB3 ALA 57 3HB ALA 57 -2.617 32.379 -20.875 407 H GLN 58 H GLN 58 -5.031 33.656 -24.250 408 HA GLN 58 HA GLN 58 -5.727 35.840 -22.655 409 HB2 GLN 58 2HB GLN 58 -2.949 35.777 -23.368 410 HB3 GLN 58 3HB GLN 58 -3.721 37.140 -24.167 411 HG2 GLN 58 2HG GLN 58 -3.691 38.297 -22.288 412 HG3 GLN 58 3HG GLN 58 -4.618 37.041 -21.469 413 HE21 GLN 58 1HE2 GLN 58 -3.651 36.733 -19.586 414 HE22 GLN 58 2HE2 GLN 58 -1.964 36.441 -19.354 415 H LYS 59 H LYS 59 -4.552 34.888 -25.855 416 HA LYS 59 HA LYS 59 -6.830 36.339 -27.028 417 HB2 LYS 59 2HB LYS 59 -3.980 36.598 -27.602 418 HB3 LYS 59 3HB LYS 59 -4.929 36.243 -29.040 419 HG2 LYS 59 2HG LYS 59 -6.050 38.230 -28.963 420 HG3 LYS 59 3HG LYS 59 -5.889 38.380 -27.211 421 HD2 LYS 59 2HD LYS 59 -4.364 39.950 -27.809 422 HD3 LYS 59 3HD LYS 59 -3.307 38.538 -27.889 423 HE2 LYS 59 2HE LYS 59 -4.067 38.383 -30.345 424 HE3 LYS 59 3HE LYS 59 -4.622 40.042 -30.127 425 HZ1 LYS 59 3HZ LYS 59 -1.848 39.157 -29.565 426 HZ2 LYS 59 1HZ LYS 59 -2.426 40.745 -29.628 427 HZ3 LYS 59 2HZ LYS 59 -2.336 39.822 -31.042 428 H THR 60 H THR 60 -8.201 34.760 -27.580 429 HA THR 60 HA THR 60 -7.222 32.223 -28.596 430 HB THR 60 HB THR 60 -9.933 32.070 -28.859 431 HG1 THR 60 HG1 THR 60 -9.500 33.617 -26.513 432 HG21 THR 60 3HG2 THR 60 -9.833 30.592 -27.102 433 HG22 THR 60 1HG2 THR 60 -8.781 31.632 -26.143 434 HG23 THR 60 2HG2 THR 60 -8.121 30.720 -27.501 435 H GLY 61 H GLY 61 -10.031 34.031 -29.773 436 HA2 GLY 61 2HA GLY 61 -10.780 34.345 -31.930 437 HA3 GLY 61 3HA GLY 61 -9.159 34.977 -32.181 438 H ARG 62 H ARG 62 -10.511 31.714 -31.680 439 HA ARG 62 HA ARG 62 -10.345 29.803 -32.905 440 HB2 ARG 62 2HB ARG 62 -11.016 31.501 -34.754 441 HB3 ARG 62 3HB ARG 62 -9.334 31.380 -35.251 442 HG2 ARG 62 2HG ARG 62 -10.781 28.836 -34.848 443 HG3 ARG 62 3HG ARG 62 -11.262 29.822 -36.231 444 HD2 ARG 62 2HD ARG 62 -8.546 29.917 -36.405 445 HD3 ARG 62 3HD ARG 62 -8.802 28.296 -35.761 446 HE ARG 62 HE ARG 62 -9.582 27.670 -37.808 447 HH11 ARG 62 1HH1 ARG 62 -9.801 31.135 -37.550 448 HH12 ARG 62 2HH1 ARG 62 -10.314 31.355 -39.190 449 HH21 ARG 62 1HH2 ARG 62 -10.256 27.947 -39.970 450 HH22 ARG 62 2HH2 ARG 62 -10.573 29.542 -40.565 451 H GLN 63 H GLN 63 -8.463 29.647 -31.326 452 HA GLN 63 HA GLN 63 -5.876 29.648 -32.710 453 HB2 GLN 63 2HB GLN 63 -6.722 29.915 -29.880 454 HB3 GLN 63 3HB GLN 63 -5.212 29.062 -30.173 455 HG2 GLN 63 2HG GLN 63 -5.505 31.594 -31.624 456 HG3 GLN 63 3HG GLN 63 -5.435 31.737 -29.868 457 HE21 GLN 63 1HE2 GLN 63 -3.734 30.754 -32.738 458 HE22 GLN 63 2HE2 GLN 63 -2.164 30.668 -32.022 459 H THR 64 H THR 64 -4.574 27.820 -32.785 460 HA THR 64 HA THR 64 -6.024 25.306 -32.651 461 HB THR 64 HB THR 64 -3.240 25.916 -33.661 462 HG1 THR 64 HG1 THR 64 -5.082 26.745 -34.886 463 HG21 THR 64 3HG2 THR 64 -3.140 23.657 -33.102 464 HG22 THR 64 1HG2 THR 64 -3.640 23.621 -34.792 465 HG23 THR 64 2HG2 THR 64 -4.831 23.378 -33.515 466 H LEU 65 H LEU 65 -5.421 23.528 -31.422 467 HA LEU 65 HA LEU 65 -3.335 23.957 -29.399 468 HB2 LEU 65 2HB LEU 65 -6.134 22.954 -28.918 469 HB3 LEU 65 3HB LEU 65 -4.827 22.827 -27.743 470 HG LEU 65 HG LEU 65 -4.740 25.454 -28.124 471 HD11 LEU 65 1HD1 LEU 65 -6.669 25.118 -29.825 472 HD12 LEU 65 2HD1 LEU 65 -6.739 26.464 -28.688 473 HD13 LEU 65 3HD1 LEU 65 -7.683 25.006 -28.386 474 HD21 LEU 65 3HD2 LEU 65 -5.019 24.845 -25.947 475 HD22 LEU 65 1HD2 LEU 65 -6.345 23.739 -26.308 476 HD23 LEU 65 2HD2 LEU 65 -6.633 25.479 -26.271 477 H THR 66 H THR 66 -1.985 22.290 -29.176 478 HA THR 66 HA THR 66 -2.832 19.657 -30.192 479 HB THR 66 HB THR 66 -0.001 19.890 -30.423 480 HG1 THR 66 HG1 THR 66 0.278 21.817 -31.242 481 HG21 THR 66 3HG2 THR 66 -1.002 18.370 -31.841 482 HG22 THR 66 1HG2 THR 66 -0.727 19.723 -32.938 483 HG23 THR 66 2HG2 THR 66 -2.328 19.459 -32.246 484 H LEU 67 H LEU 67 -3.080 18.473 -28.394 485 HA LEU 67 HA LEU 67 -1.200 18.764 -26.183 486 HB2 LEU 67 2HB LEU 67 -2.755 17.726 -24.839 487 HB3 LEU 67 3HB LEU 67 -3.772 18.586 -25.993 488 HG LEU 67 HG LEU 67 -3.671 16.243 -27.244 489 HD11 LEU 67 1HD1 LEU 67 -2.640 15.708 -24.570 490 HD12 LEU 67 2HD1 LEU 67 -2.588 14.717 -26.028 491 HD13 LEU 67 3HD1 LEU 67 -4.025 14.707 -25.005 492 HD21 LEU 67 3HD2 LEU 67 -5.786 15.672 -26.119 493 HD22 LEU 67 1HD2 LEU 67 -5.704 17.375 -26.572 494 HD23 LEU 67 2HD2 LEU 67 -5.447 16.895 -24.894 495 H HIS 68 H HIS 68 0.332 17.314 -25.675 496 HA HIS 68 HA HIS 68 0.383 14.784 -27.186 497 HB2 HIS 68 2HB HIS 68 2.585 16.740 -26.604 498 HB3 HIS 68 3HB HIS 68 2.957 15.039 -26.863 499 HD1 HIS 68 HD1 HIS 68 3.646 14.627 -29.189 500 HD2 HIS 68 HD2 HIS 68 0.788 17.633 -28.950 501 HE1 HIS 68 HE1 HIS 68 3.250 15.368 -31.559 502 H TYR 69 H TYR 69 0.501 12.985 -26.006 503 HA TYR 69 HA TYR 69 1.604 13.107 -23.296 504 HB2 TYR 69 2HB TYR 69 -0.752 13.378 -22.915 505 HB3 TYR 69 3HB TYR 69 -1.138 12.060 -24.016 506 HD1 TYR 69 HD2 TYR 69 -0.726 9.726 -23.349 507 HD2 TYR 69 HD1 TYR 69 -0.071 12.951 -20.652 508 HE1 TYR 69 HE2 TYR 69 -0.695 8.140 -21.469 509 HE2 TYR 69 HE1 TYR 69 -0.037 11.374 -18.765 510 HH TYR 69 HH TYR 69 0.514 8.347 -18.908 511 H GLN 70 H GLN 70 3.144 11.626 -23.198 512 HA GLN 70 HA GLN 70 4.287 9.671 -23.412 513 HB2 GLN 70 2HB GLN 70 1.473 8.873 -23.503 514 HB3 GLN 70 3HB GLN 70 2.542 7.747 -24.329 515 HG2 GLN 70 2HG GLN 70 3.094 8.709 -21.544 516 HG3 GLN 70 3HG GLN 70 2.056 7.323 -21.871 517 HE21 GLN 70 1HE2 GLN 70 5.142 8.274 -21.196 518 HE22 GLN 70 2HE2 GLN 70 5.996 6.875 -21.742 519 H GLY 71 H GLY 71 1.916 8.908 -25.922 520 HA2 GLY 71 2HA GLY 71 3.877 9.566 -27.997 521 HA3 GLY 71 3HA GLY 71 3.330 7.900 -27.886 522 H HIS 72 H HIS 72 0.932 10.104 -26.988 523 HA HIS 72 HA HIS 72 -0.326 9.839 -29.638 524 HB2 HIS 72 2HB HIS 72 -1.343 9.532 -26.891 525 HB3 HIS 72 3HB HIS 72 -2.390 10.459 -27.962 526 HD1 HIS 72 HD1 HIS 72 -3.764 9.170 -29.621 527 HD2 HIS 72 HD2 HIS 72 -0.846 6.836 -27.805 528 HE1 HIS 72 HE1 HIS 72 -4.245 6.810 -30.343 529 H GLU 73 H GLU 73 -1.520 11.602 -30.474 530 HA GLU 73 HA GLU 73 -1.123 14.186 -29.147 531 HB2 GLU 73 2HB GLU 73 -0.414 15.224 -31.247 532 HB3 GLU 73 3HB GLU 73 0.701 13.954 -30.762 533 HG2 GLU 73 2HG GLU 73 -0.386 12.425 -32.355 534 HG3 GLU 73 3HG GLU 73 -1.434 13.744 -32.873 535 H VAL 74 H VAL 74 -2.815 15.553 -29.311 536 HA VAL 74 HA VAL 74 -4.978 14.843 -31.182 537 HB VAL 74 HB VAL 74 -5.436 15.903 -28.394 538 HG11 VAL 74 1HG1 VAL 74 -7.626 14.471 -29.547 539 HG12 VAL 74 2HG1 VAL 74 -7.549 16.155 -29.028 540 HG13 VAL 74 3HG1 VAL 74 -7.083 15.716 -30.671 541 HG21 VAL 74 3HG2 VAL 74 -5.333 13.087 -29.421 542 HG22 VAL 74 1HG2 VAL 74 -4.582 13.773 -27.980 543 HG23 VAL 74 2HG2 VAL 74 -6.326 13.517 -28.029 544 H SER 75 H SER 75 -5.903 16.494 -32.276 545 HA SER 75 HA SER 75 -4.916 19.205 -31.675 546 HB2 SER 75 2HB SER 75 -4.341 17.982 -33.922 547 HB3 SER 75 3HB SER 75 -5.985 18.435 -34.370 548 HG SER 75 HG SER 75 -4.129 19.950 -34.829 549 H PHE 76 H PHE 76 -6.342 20.857 -31.466 550 HA PHE 76 HA PHE 76 -9.128 20.498 -32.200 551 HB2 PHE 76 2HB PHE 76 -8.148 20.348 -29.433 552 HB3 PHE 76 3HB PHE 76 -9.468 21.488 -29.668 553 HD1 PHE 76 HD2 PHE 76 -8.465 17.961 -29.928 554 HD2 PHE 76 HD1 PHE 76 -11.680 20.743 -30.132 555 HE1 PHE 76 HE2 PHE 76 -10.073 16.100 -29.874 556 HE2 PHE 76 HE1 PHE 76 -13.294 18.886 -30.077 557 HZ PHE 76 HZ PHE 76 -12.491 16.562 -29.949 558 H ASP 77 H ASP 77 -10.398 22.549 -31.570 559 HA ASP 77 HA ASP 77 -8.659 24.898 -31.953 560 HB2 ASP 77 2HB ASP 77 -10.691 25.875 -33.175 561 HB3 ASP 77 3HB ASP 77 -9.764 24.636 -34.018 562 H VAL 78 H VAL 78 -9.186 26.781 -30.865 563 HA VAL 78 HA VAL 78 -11.288 26.512 -28.813 564 HB VAL 78 HB VAL 78 -8.940 26.481 -27.926 565 HG11 VAL 78 1HG1 VAL 78 -7.935 28.028 -29.515 566 HG12 VAL 78 2HG1 VAL 78 -8.933 29.341 -28.889 567 HG13 VAL 78 3HG1 VAL 78 -7.706 28.597 -27.862 568 HG21 VAL 78 3HG2 VAL 78 -9.427 28.447 -26.282 569 HG22 VAL 78 1HG2 VAL 78 -10.968 28.527 -27.137 570 HG23 VAL 78 2HG2 VAL 78 -10.493 27.042 -26.312 571 H LEU 79 H LEU 79 -12.674 28.193 -28.505 572 HA LEU 79 HA LEU 79 -12.204 30.695 -29.947 573 HB2 LEU 79 2HB LEU 79 -13.576 29.131 -31.353 574 HB3 LEU 79 3HB LEU 79 -14.818 29.210 -30.106 575 HG LEU 79 HG LEU 79 -14.533 31.829 -30.601 576 HD11 LEU 79 1HD1 LEU 79 -12.799 31.214 -32.367 577 HD12 LEU 79 2HD1 LEU 79 -14.086 32.321 -32.845 578 HD13 LEU 79 3HD1 LEU 79 -14.159 30.626 -33.325 579 HD21 LEU 79 3HD2 LEU 79 -16.318 31.108 -32.558 580 HD22 LEU 79 1HD2 LEU 79 -16.690 31.302 -30.845 581 HD23 LEU 79 2HD2 LEU 79 -16.320 29.703 -31.490 582 H VAL 80 H VAL 80 -12.795 32.451 -28.822 583 HA VAL 80 HA VAL 80 -14.111 32.026 -26.241 584 HB VAL 80 HB VAL 80 -11.951 33.243 -26.281 585 HG11 VAL 80 1HG1 VAL 80 -13.465 35.458 -27.651 586 HG12 VAL 80 2HG1 VAL 80 -11.752 35.423 -27.227 587 HG13 VAL 80 3HG1 VAL 80 -12.372 34.354 -28.486 588 HG21 VAL 80 3HG2 VAL 80 -14.424 34.651 -25.320 589 HG22 VAL 80 1HG2 VAL 80 -13.283 33.672 -24.397 590 HG23 VAL 80 2HG2 VAL 80 -12.807 35.267 -24.981 591 H SER 81 H SER 81 -16.048 32.886 -25.717 592 HA SER 81 HA SER 81 -17.380 34.556 -27.748 593 HB2 SER 81 2HB SER 81 -18.309 32.130 -26.302 594 HB3 SER 81 3HB SER 81 -19.493 33.412 -26.551 595 HG SER 81 HG SER 81 -17.898 32.311 -28.621 596 HA PRO 82 HA PRO 82 -18.293 37.545 -24.671 597 HB2 PRO 82 2HB PRO 82 -20.817 38.310 -25.318 598 HB3 PRO 82 3HB PRO 82 -19.404 38.739 -26.290 599 HG2 PRO 82 2HG PRO 82 -21.403 36.552 -26.716 600 HG3 PRO 82 3HG PRO 82 -20.693 37.664 -27.900 601 HD2 PRO 82 2HD PRO 82 -19.829 35.116 -27.593 602 HD3 PRO 82 3HD PRO 82 -18.747 36.441 -28.069 603 H LYS 83 H LYS 83 -19.073 37.684 -22.627 604 HA LYS 83 HA LYS 83 -20.115 35.497 -21.307 605 HB2 LYS 83 2HB LYS 83 -19.083 37.722 -20.408 606 HB3 LYS 83 3HB LYS 83 -20.753 38.271 -20.360 607 HG2 LYS 83 2HG LYS 83 -21.353 36.586 -18.803 608 HG3 LYS 83 3HG LYS 83 -19.810 35.755 -19.011 609 HD2 LYS 83 2HD LYS 83 -18.714 37.870 -18.140 610 HD3 LYS 83 3HD LYS 83 -20.333 38.405 -17.680 611 HE2 LYS 83 2HE LYS 83 -20.502 36.888 -15.993 612 HE3 LYS 83 3HE LYS 83 -19.511 35.690 -16.824 613 HZ1 LYS 83 3HZ LYS 83 -18.725 37.791 -14.995 614 HZ2 LYS 83 1HZ LYS 83 -17.724 37.620 -16.349 615 HZ3 LYS 83 2HZ LYS 83 -17.986 36.304 -15.320 616 H ALA 84 H ALA 84 -22.160 34.921 -20.544 617 HA ALA 84 HA ALA 84 -24.517 36.401 -21.061 618 HB1 ALA 84 1HB ALA 84 -24.302 35.900 -23.343 619 HB2 ALA 84 2HB ALA 84 -23.807 34.238 -23.019 620 HB3 ALA 84 3HB ALA 84 -25.475 34.733 -22.731 621 H ALA 85 H ALA 85 -23.280 34.929 -18.918 622 HA ALA 85 HA ALA 85 -25.449 33.016 -18.373 623 HB1 ALA 85 1HB ALA 85 -23.264 31.890 -18.935 624 HB2 ALA 85 2HB ALA 85 -22.619 32.587 -17.449 625 HB3 ALA 85 3HB ALA 85 -23.972 31.458 -17.378 626 H LEU 86 H LEU 86 -25.108 32.386 -15.839 627 HA LEU 86 HA LEU 86 -24.856 34.932 -14.381 628 HB2 LEU 86 2HB LEU 86 -27.225 34.221 -14.766 629 HB3 LEU 86 3HB LEU 86 -26.888 32.784 -13.804 630 HG LEU 86 HG LEU 86 -26.321 35.394 -12.529 631 HD11 LEU 86 1HD1 LEU 86 -28.462 35.765 -13.736 632 HD12 LEU 86 2HD1 LEU 86 -28.609 35.836 -11.980 633 HD13 LEU 86 3HD1 LEU 86 -29.146 34.400 -12.853 634 HD21 LEU 86 3HD2 LEU 86 -27.875 33.100 -11.401 635 HD22 LEU 86 1HD2 LEU 86 -26.834 34.261 -10.577 636 HD23 LEU 86 2HD2 LEU 86 -26.122 32.992 -11.575 637 H ASN 87 H ASN 87 -23.809 34.872 -12.453 638 HA ASN 87 HA ASN 87 -23.213 32.314 -11.200 639 HB2 ASN 87 2HB ASN 87 -21.376 33.393 -12.961 640 HB3 ASN 87 3HB ASN 87 -20.802 33.957 -11.394 641 HD21 ASN 87 1HD2 ASN 87 -19.096 32.699 -11.023 642 HD22 ASN 87 2HD2 ASN 87 -19.124 30.972 -10.987 643 H ASP 88 H ASP 88 -22.756 32.462 -9.018 644 HA ASP 88 HA ASP 88 -22.642 35.143 -7.834 645 HB2 ASP 88 2HB ASP 88 -24.298 34.535 -6.141 646 HB3 ASP 88 3HB ASP 88 -24.992 34.417 -7.756 647 H GLU 89 H GLU 89 -21.963 35.100 -5.540 648 HA GLU 89 HA GLU 89 -19.795 33.211 -5.210 649 HB2 GLU 89 2HB GLU 89 -20.548 35.822 -4.085 650 HB3 GLU 89 3HB GLU 89 -19.791 34.729 -2.935 651 HG2 GLU 89 2HG GLU 89 -17.928 34.430 -4.572 652 HG3 GLU 89 3HG GLU 89 -18.659 35.708 -5.542
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