NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
28166 | 2yrp | 11148 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -17.503 -29.047 8.732 2 HA2 GLY 1 1HA GLY 1 -16.811 -26.897 8.296 3 HA3 GLY 1 2HA GLY 1 -16.910 -27.287 6.585 4 H SER 2 H SER 2 -17.898 -25.068 8.607 5 HA SER 2 HA SER 2 -20.619 -24.881 7.493 6 HB2 SER 2 1HB SER 2 -19.477 -23.735 10.049 7 HB3 SER 2 2HB SER 2 -21.077 -23.339 9.422 8 HG SER 2 HG SER 2 -21.789 -25.184 10.130 9 H SER 3 H SER 3 -21.351 -22.463 7.457 10 HA SER 3 HA SER 3 -19.638 -21.138 5.592 11 HB2 SER 3 1HB SER 3 -22.142 -20.071 6.915 12 HB3 SER 3 2HB SER 3 -21.396 -19.478 5.431 13 HG SER 3 HG SER 3 -22.547 -22.042 5.833 14 H GLY 4 H GLY 4 -17.752 -20.862 6.954 15 HA2 GLY 4 1HA GLY 4 -18.014 -18.830 9.055 16 HA3 GLY 4 2HA GLY 4 -16.617 -19.863 8.790 17 H SER 5 H SER 5 -15.329 -19.441 6.829 18 HA SER 5 HA SER 5 -15.430 -16.597 6.063 19 HB2 SER 5 1HB SER 5 -13.553 -17.199 7.650 20 HB3 SER 5 2HB SER 5 -12.895 -18.216 6.368 21 HG SER 5 HG SER 5 -12.021 -16.469 5.622 22 H SER 6 H SER 6 -13.956 -16.243 4.051 23 HA SER 6 HA SER 6 -14.380 -18.445 2.144 24 HB2 SER 6 1HB SER 6 -16.039 -16.462 1.999 25 HB3 SER 6 2HB SER 6 -14.676 -15.561 1.336 26 HG SER 6 HG SER 6 -14.600 -17.678 -0.046 27 H GLY 7 H GLY 7 -11.985 -18.164 3.400 28 HA2 GLY 7 1HA GLY 7 -9.738 -17.711 3.104 29 HA3 GLY 7 2HA GLY 7 -10.094 -18.214 1.458 30 H LEU 8 H LEU 8 -11.195 -15.309 3.158 31 HA LEU 8 HA LEU 8 -10.124 -13.696 0.973 32 HB2 LEU 8 1HB LEU 8 -11.756 -12.669 3.269 33 HB3 LEU 8 2HB LEU 8 -11.579 -11.991 1.652 34 HG LEU 8 HG LEU 8 -12.931 -14.634 2.066 35 HD11 LEU 8 1HD1 LEU 8 -14.017 -11.901 2.588 36 HD12 LEU 8 2HD1 LEU 8 -14.258 -13.396 3.491 37 HD13 LEU 8 3HD1 LEU 8 -15.065 -13.162 1.940 38 HD21 LEU 8 3HD2 LEU 8 -13.697 -14.368 -0.065 39 HD22 LEU 8 1HD2 LEU 8 -12.180 -13.478 -0.191 40 HD23 LEU 8 2HD2 LEU 8 -13.697 -12.606 0.034 41 HA PRO 9 HA PRO 9 -6.668 -12.257 3.289 42 HB2 PRO 9 1HB PRO 9 -6.226 -9.912 1.994 43 HB3 PRO 9 2HB PRO 9 -5.839 -11.487 1.290 44 HG2 PRO 9 1HG PRO 9 -8.224 -9.738 0.824 45 HG3 PRO 9 2HG PRO 9 -7.256 -10.646 -0.352 46 HD2 PRO 9 1HD PRO 9 -9.643 -11.535 0.565 47 HD3 PRO 9 2HD PRO 9 -8.324 -12.634 0.114 48 H GLN 10 H GLN 10 -6.666 -11.400 5.263 49 HA GLN 10 HA GLN 10 -8.439 -9.115 5.812 50 HB2 GLN 10 1HB GLN 10 -8.763 -11.342 7.048 51 HB3 GLN 10 2HB GLN 10 -7.274 -10.947 7.897 52 HG2 GLN 10 1HG GLN 10 -8.228 -9.240 9.071 53 HG3 GLN 10 2HG GLN 10 -9.435 -8.912 7.829 54 HE21 GLN 10 1HE2 GLN 10 -8.539 -11.046 10.456 55 HE22 GLN 10 2HE2 GLN 10 -10.125 -11.665 10.749 56 H VAL 11 H VAL 11 -7.677 -7.438 7.194 57 HA VAL 11 HA VAL 11 -4.750 -7.295 7.470 58 HB VAL 11 HB VAL 11 -6.541 -5.055 6.518 59 HG11 VAL 11 1HG1 VAL 11 -4.781 -3.596 6.666 60 HG12 VAL 11 2HG1 VAL 11 -4.458 -4.619 8.067 61 HG13 VAL 11 3HG1 VAL 11 -3.570 -4.873 6.564 62 HG21 VAL 11 3HG2 VAL 11 -6.209 -6.008 4.521 63 HG22 VAL 11 1HG2 VAL 11 -4.553 -5.417 4.658 64 HG23 VAL 11 2HG2 VAL 11 -4.943 -7.068 5.138 65 H GLU 12 H GLU 12 -4.762 -7.668 9.663 66 HA GLU 12 HA GLU 12 -6.538 -6.543 11.515 67 HB2 GLU 12 1HB GLU 12 -4.751 -8.454 11.751 68 HB3 GLU 12 2HB GLU 12 -3.704 -7.140 12.270 69 HG2 GLU 12 1HG GLU 12 -4.616 -8.093 14.222 70 HG3 GLU 12 2HG GLU 12 -5.444 -6.556 13.978 71 H ALA 13 H ALA 13 -3.113 -5.641 11.082 72 HA ALA 13 HA ALA 13 -3.849 -2.825 11.367 73 HB1 ALA 13 3HB ALA 13 -2.441 -2.377 13.167 74 HB2 ALA 13 1HB ALA 13 -3.216 -3.896 13.618 75 HB3 ALA 13 2HB ALA 13 -1.568 -3.899 12.987 76 H TYR 14 H TYR 14 -1.876 -1.399 10.993 77 HA TYR 14 HA TYR 14 0.180 -2.602 9.326 78 HB2 TYR 14 1HB TYR 14 -0.254 -0.970 7.480 79 HB3 TYR 14 2HB TYR 14 -1.518 -2.179 7.674 80 HD1 TYR 14 1HD TYR 14 -0.654 1.312 8.662 81 HD2 TYR 14 2HD TYR 14 -3.736 -1.502 7.833 82 HE1 TYR 14 1HE TYR 14 -2.329 3.104 8.839 83 HE2 TYR 14 2HE TYR 14 -5.420 0.282 8.007 84 HH TYR 14 HH TYR 14 -5.003 3.243 7.685 85 H SER 15 H SER 15 2.071 -1.475 9.330 86 HA SER 15 HA SER 15 2.128 1.257 10.336 87 HB2 SER 15 1HB SER 15 3.938 0.637 11.986 88 HB3 SER 15 2HB SER 15 2.325 0.057 12.402 89 HG SER 15 HG SER 15 4.508 -1.371 12.152 90 HA PRO 16 HA PRO 16 3.964 2.477 11.228 91 HB2 PRO 16 1HB PRO 16 4.716 4.793 10.028 92 HB3 PRO 16 2HB PRO 16 5.866 3.692 10.796 93 HG2 PRO 16 1HG PRO 16 5.175 3.990 7.898 94 HG3 PRO 16 2HG PRO 16 6.766 3.789 8.654 95 HD2 PRO 16 1HD PRO 16 5.443 1.740 7.477 96 HD3 PRO 16 2HD PRO 16 6.513 1.508 8.875 97 H SER 17 H SER 17 2.215 3.788 11.635 98 HA SER 17 HA SER 17 -0.084 3.586 10.205 99 HB2 SER 17 1HB SER 17 -0.833 5.692 11.353 100 HB3 SER 17 2HB SER 17 -0.115 4.499 12.435 101 HG SER 17 HG SER 17 0.704 6.586 12.837 102 H ALA 18 H ALA 18 2.530 5.851 9.666 103 HA ALA 18 HA ALA 18 1.320 6.577 7.105 104 HB1 ALA 18 3HB ALA 18 0.709 8.579 7.869 105 HB2 ALA 18 1HB ALA 18 1.611 8.370 9.370 106 HB3 ALA 18 2HB ALA 18 2.428 8.969 7.926 107 H CYS 19 H CYS 19 3.013 8.135 5.943 108 HA CYS 19 HA CYS 19 5.767 7.597 6.524 109 HB2 CYS 19 1HB CYS 19 4.719 5.498 5.333 110 HB3 CYS 19 2HB CYS 19 4.886 6.487 3.887 111 HG CYS 19 HG CYS 19 7.584 6.055 5.905 112 H SER 20 H SER 20 7.171 8.380 4.607 113 HA SER 20 HA SER 20 6.174 11.000 3.882 114 HB2 SER 20 1HB SER 20 8.862 9.833 3.156 115 HB3 SER 20 2HB SER 20 8.418 11.534 3.296 116 HG SER 20 HG SER 20 9.540 10.889 5.138 117 H VAL 21 H VAL 21 6.151 11.830 1.743 118 HA VAL 21 HA VAL 21 4.904 10.259 -0.159 119 HB VAL 21 HB VAL 21 5.621 12.035 -1.819 120 HG11 VAL 21 1HG1 VAL 21 4.361 13.021 0.738 121 HG12 VAL 21 2HG1 VAL 21 4.172 13.722 -0.870 122 HG13 VAL 21 3HG1 VAL 21 3.521 12.120 -0.523 123 HG21 VAL 21 3HG2 VAL 21 7.744 12.595 -0.657 124 HG22 VAL 21 1HG2 VAL 21 6.736 14.002 -0.995 125 HG23 VAL 21 2HG2 VAL 21 6.800 13.334 0.636 126 H ARG 22 H ARG 22 8.246 10.466 0.613 127 HA ARG 22 HA ARG 22 9.258 9.546 -1.899 128 HB2 ARG 22 1HB ARG 22 10.476 9.667 0.862 129 HB3 ARG 22 2HB ARG 22 11.353 9.119 -0.560 130 HG2 ARG 22 1HG ARG 22 10.939 11.320 -1.612 131 HG3 ARG 22 2HG ARG 22 10.184 11.855 -0.109 132 HD2 ARG 22 1HD ARG 22 12.459 12.618 -0.140 133 HD3 ARG 22 2HD ARG 22 12.307 11.348 1.073 134 HE ARG 22 HE ARG 22 13.118 10.002 -1.125 135 HH11 ARG 22 1HH1 ARG 22 14.316 12.824 0.525 136 HH12 ARG 22 2HH1 ARG 22 15.968 12.539 0.086 137 HH21 ARG 22 1HH2 ARG 22 15.290 9.616 -1.708 138 HH22 ARG 22 2HH2 ARG 22 16.521 10.715 -1.185 139 H GLY 23 H GLY 23 8.348 8.023 1.153 140 HA2 GLY 23 1HA GLY 23 7.790 5.832 1.598 141 HA3 GLY 23 2HA GLY 23 7.891 5.512 -0.127 142 H GLY 24 H GLY 24 9.499 4.253 -0.812 143 HA2 GLY 24 1HA GLY 24 11.270 2.779 -0.598 144 HA3 GLY 24 2HA GLY 24 12.135 4.259 -0.212 145 H GLU 25 H GLU 25 9.627 2.665 1.705 146 HA GLU 25 HA GLU 25 11.663 2.085 3.752 147 HB2 GLU 25 1HB GLU 25 9.031 3.481 4.015 148 HB3 GLU 25 2HB GLU 25 9.622 2.513 5.358 149 HG2 GLU 25 1HG GLU 25 11.803 3.892 5.039 150 HG3 GLU 25 2HG GLU 25 10.742 5.018 4.194 151 H GLU 26 H GLU 26 10.699 0.549 5.473 152 HA GLU 26 HA GLU 26 9.570 -1.718 4.021 153 HB2 GLU 26 1HB GLU 26 11.584 -2.147 5.306 154 HB3 GLU 26 2HB GLU 26 10.824 -1.522 6.763 155 HG2 GLU 26 1HG GLU 26 9.070 -3.413 6.264 156 HG3 GLU 26 2HG GLU 26 10.419 -4.116 5.374 157 H LEU 27 H LEU 27 7.413 -1.727 3.956 158 HA LEU 27 HA LEU 27 5.902 -0.877 6.319 159 HB2 LEU 27 1HB LEU 27 5.251 0.186 4.262 160 HB3 LEU 27 2HB LEU 27 5.063 -1.376 3.469 161 HG LEU 27 HG LEU 27 3.222 -1.806 5.217 162 HD11 LEU 27 1HD1 LEU 27 3.991 0.307 6.495 163 HD12 LEU 27 2HD1 LEU 27 2.266 -0.020 6.334 164 HD13 LEU 27 3HD1 LEU 27 3.036 1.178 5.295 165 HD21 LEU 27 3HD2 LEU 27 2.020 0.233 3.634 166 HD22 LEU 27 1HD2 LEU 27 1.947 -1.517 3.426 167 HD23 LEU 27 2HD2 LEU 27 3.240 -0.591 2.662 168 H VAL 28 H VAL 28 4.944 -2.304 7.610 169 HA VAL 28 HA VAL 28 4.731 -5.093 6.684 170 HB VAL 28 HB VAL 28 4.943 -4.051 9.512 171 HG11 VAL 28 1HG1 VAL 28 4.666 -6.839 8.412 172 HG12 VAL 28 2HG1 VAL 28 5.238 -6.496 10.045 173 HG13 VAL 28 3HG1 VAL 28 3.612 -6.015 9.561 174 HG21 VAL 28 3HG2 VAL 28 6.921 -5.452 7.723 175 HG22 VAL 28 1HG2 VAL 28 7.059 -3.842 8.429 176 HG23 VAL 28 2HG2 VAL 28 7.132 -5.269 9.464 177 H LEU 29 H LEU 29 2.772 -5.953 6.473 178 HA LEU 29 HA LEU 29 0.485 -4.501 7.620 179 HB2 LEU 29 1HB LEU 29 0.581 -6.406 5.285 180 HB3 LEU 29 2HB LEU 29 -0.863 -5.592 5.884 181 HG LEU 29 HG LEU 29 1.510 -4.050 4.877 182 HD11 LEU 29 1HD1 LEU 29 0.328 -5.823 3.265 183 HD12 LEU 29 2HD1 LEU 29 0.906 -4.253 2.708 184 HD13 LEU 29 3HD1 LEU 29 -0.802 -4.480 3.087 185 HD21 LEU 29 3HD2 LEU 29 -1.428 -3.393 5.068 186 HD22 LEU 29 1HD2 LEU 29 -0.145 -2.310 4.528 187 HD23 LEU 29 2HD2 LEU 29 -0.185 -2.864 6.202 188 H THR 30 H THR 30 -0.197 -5.398 9.449 189 HA THR 30 HA THR 30 0.189 -8.209 9.993 190 HB THR 30 HB THR 30 -1.303 -6.187 11.672 191 HG1 THR 30 1HG THR 30 0.803 -6.156 12.807 192 HG21 THR 30 3HG2 THR 30 0.159 -8.616 12.652 193 HG22 THR 30 1HG2 THR 30 -1.500 -8.736 12.070 194 HG23 THR 30 2HG2 THR 30 -1.121 -7.695 13.442 195 H GLY 31 H GLY 31 -1.311 -9.796 9.938 196 HA2 GLY 31 1HA GLY 31 -4.074 -9.512 10.148 197 HA3 GLY 31 2HA GLY 31 -3.682 -9.421 8.438 198 H SER 32 H SER 32 -4.491 -11.319 7.717 199 HA SER 32 HA SER 32 -3.011 -13.699 8.244 200 HB2 SER 32 1HB SER 32 -4.923 -15.043 9.103 201 HB3 SER 32 2HB SER 32 -4.405 -13.792 10.232 202 HG SER 32 HG SER 32 -6.304 -12.919 10.080 203 H ASN 33 H ASN 33 -4.455 -15.652 7.248 204 HA ASN 33 HA ASN 33 -5.052 -16.559 5.241 205 HB2 ASN 33 1HB ASN 33 -6.949 -14.209 5.392 206 HB3 ASN 33 2HB ASN 33 -7.096 -15.514 4.218 207 HD21 ASN 33 1HD2 ASN 33 -8.375 -17.120 4.758 208 HD22 ASN 33 2HD2 ASN 33 -8.839 -17.559 6.363 209 H PHE 34 H PHE 34 -2.753 -15.161 4.944 210 HA PHE 34 HA PHE 34 -3.081 -13.509 2.545 211 HB2 PHE 34 1HB PHE 34 -0.796 -13.882 4.477 212 HB3 PHE 34 2HB PHE 34 -0.595 -13.054 2.936 213 HD1 PHE 34 1HD PHE 34 -3.037 -11.501 2.700 214 HD2 PHE 34 2HD PHE 34 -0.623 -12.274 6.119 215 HE1 PHE 34 1HE PHE 34 -3.823 -9.406 3.723 216 HE2 PHE 34 2HE PHE 34 -1.405 -10.180 7.149 217 HZ PHE 34 HZ PHE 34 -3.008 -8.744 5.951 218 H LEU 35 H LEU 35 -1.798 -13.895 0.673 219 HA LEU 35 HA LEU 35 -0.874 -16.682 0.423 220 HB2 LEU 35 1HB LEU 35 -2.319 -14.945 -1.564 221 HB3 LEU 35 2HB LEU 35 -1.506 -16.444 -2.006 222 HG LEU 35 HG LEU 35 -3.579 -16.512 0.136 223 HD11 LEU 35 1HD1 LEU 35 -5.382 -16.446 -1.285 224 HD12 LEU 35 2HD1 LEU 35 -4.411 -16.810 -2.712 225 HD13 LEU 35 3HD1 LEU 35 -4.347 -15.203 -1.990 226 HD21 LEU 35 3HD2 LEU 35 -4.001 -18.721 -1.041 227 HD22 LEU 35 1HD2 LEU 35 -2.454 -18.552 -0.211 228 HD23 LEU 35 2HD2 LEU 35 -2.535 -18.391 -1.966 229 HA PRO 36 HA PRO 36 3.040 -15.136 -0.844 230 HB2 PRO 36 1HB PRO 36 3.866 -17.168 -2.443 231 HB3 PRO 36 2HB PRO 36 3.795 -17.299 -0.682 232 HG2 PRO 36 1HG PRO 36 1.845 -18.273 -2.734 233 HG3 PRO 36 2HG PRO 36 2.439 -19.092 -1.277 234 HD2 PRO 36 1HD PRO 36 0.028 -17.863 -1.379 235 HD3 PRO 36 2HD PRO 36 0.996 -17.944 0.107 236 H ASP 37 H ASP 37 0.461 -15.552 -2.990 237 HA ASP 37 HA ASP 37 1.976 -14.442 -5.250 238 HB2 ASP 37 1HB ASP 37 0.534 -16.542 -5.514 239 HB3 ASP 37 2HB ASP 37 -0.856 -15.471 -5.354 240 H SER 38 H SER 38 -0.170 -13.587 -2.781 241 HA SER 38 HA SER 38 -1.808 -11.665 -3.917 242 HB2 SER 38 1HB SER 38 -0.499 -11.529 -1.190 243 HB3 SER 38 2HB SER 38 -1.956 -10.671 -1.692 244 HG SER 38 HG SER 38 -2.916 -12.757 -2.029 245 H LYS 39 H LYS 39 -1.646 -9.429 -4.201 246 HA LYS 39 HA LYS 39 1.095 -8.351 -4.226 247 HB2 LYS 39 1HB LYS 39 0.316 -8.889 -6.512 248 HB3 LYS 39 2HB LYS 39 -1.065 -7.825 -6.277 249 HG2 LYS 39 1HG LYS 39 0.182 -5.929 -6.478 250 HG3 LYS 39 2HG LYS 39 1.649 -6.695 -5.865 251 HD2 LYS 39 1HD LYS 39 2.092 -6.367 -8.135 252 HD3 LYS 39 2HD LYS 39 1.605 -8.061 -8.040 253 HE2 LYS 39 1HE LYS 39 -0.777 -7.094 -8.518 254 HE3 LYS 39 2HE LYS 39 0.123 -5.713 -9.144 255 HZ1 LYS 39 3HZ LYS 39 0.643 -6.831 -10.974 256 HZ2 LYS 39 1HZ LYS 39 -0.472 -8.012 -10.500 257 HZ3 LYS 39 2HZ LYS 39 1.163 -8.188 -10.108 258 H VAL 40 H VAL 40 1.256 -6.032 -4.014 259 HA VAL 40 HA VAL 40 -1.093 -4.812 -2.717 260 HB VAL 40 HB VAL 40 1.791 -4.407 -1.911 261 HG11 VAL 40 1HG1 VAL 40 0.718 -2.405 -1.415 262 HG12 VAL 40 2HG1 VAL 40 -0.796 -3.207 -0.993 263 HG13 VAL 40 3HG1 VAL 40 0.591 -3.312 0.092 264 HG21 VAL 40 3HG2 VAL 40 -0.119 -6.425 -1.176 265 HG22 VAL 40 1HG2 VAL 40 1.567 -6.249 -0.688 266 HG23 VAL 40 2HG2 VAL 40 0.295 -5.436 0.224 267 H VAL 41 H VAL 41 -1.818 -3.286 -4.050 268 HA VAL 41 HA VAL 41 0.153 -1.533 -5.369 269 HB VAL 41 HB VAL 41 -1.422 -1.166 -7.166 270 HG11 VAL 41 1HG1 VAL 41 -1.658 -4.070 -7.148 271 HG12 VAL 41 2HG1 VAL 41 -0.771 -3.011 -8.246 272 HG13 VAL 41 3HG1 VAL 41 -0.045 -3.503 -6.716 273 HG21 VAL 41 3HG2 VAL 41 -3.251 -2.911 -5.532 274 HG22 VAL 41 1HG2 VAL 41 -3.524 -1.257 -6.082 275 HG23 VAL 41 2HG2 VAL 41 -3.515 -2.583 -7.245 276 H PHE 42 H PHE 42 -0.298 0.687 -5.478 277 HA PHE 42 HA PHE 42 -2.152 1.614 -3.403 278 HB2 PHE 42 1HB PHE 42 0.294 2.841 -4.661 279 HB3 PHE 42 2HB PHE 42 -0.833 3.798 -3.705 280 HD1 PHE 42 2HD PHE 42 1.398 0.842 -3.571 281 HD2 PHE 42 1HD PHE 42 -0.709 3.819 -1.375 282 HE1 PHE 42 2HE PHE 42 2.551 0.138 -1.515 283 HE2 PHE 42 1HE PHE 42 0.442 3.119 0.684 284 HZ PHE 42 HZ PHE 42 2.073 1.276 0.616 285 H ILE 43 H ILE 43 -3.325 3.643 -3.807 286 HA ILE 43 HA ILE 43 -3.929 4.107 -6.643 287 HB ILE 43 HB ILE 43 -6.334 4.274 -6.119 288 HG12 ILE 43 1HG1 ILE 43 -5.641 2.998 -3.470 289 HG13 ILE 43 2HG1 ILE 43 -5.959 4.719 -3.658 290 HG21 ILE 43 1HG2 ILE 43 -4.841 1.718 -5.753 291 HG22 ILE 43 2HG2 ILE 43 -6.596 1.731 -5.580 292 HG23 ILE 43 3HG2 ILE 43 -5.856 2.246 -7.095 293 HD11 ILE 43 3HD1 ILE 43 -8.060 4.162 -3.165 294 HD12 ILE 43 1HD1 ILE 43 -8.147 3.627 -4.843 295 HD13 ILE 43 2HD1 ILE 43 -7.808 2.462 -3.563 296 H GLU 44 H GLU 44 -4.922 6.170 -7.087 297 HA GLU 44 HA GLU 44 -4.752 8.147 -4.935 298 HB2 GLU 44 1HB GLU 44 -2.613 8.383 -5.939 299 HB3 GLU 44 2HB GLU 44 -3.280 8.268 -7.561 300 HG2 GLU 44 1HG GLU 44 -4.521 10.426 -7.023 301 HG3 GLU 44 2HG GLU 44 -3.442 10.558 -5.636 302 H ARG 45 H ARG 45 -6.328 9.645 -4.997 303 HA ARG 45 HA ARG 45 -8.278 9.445 -7.160 304 HB2 ARG 45 1HB ARG 45 -8.355 10.660 -4.405 305 HB3 ARG 45 2HB ARG 45 -9.622 10.959 -5.587 306 HG2 ARG 45 1HG ARG 45 -10.166 8.622 -5.678 307 HG3 ARG 45 2HG ARG 45 -8.797 8.225 -4.638 308 HD2 ARG 45 1HD ARG 45 -11.193 9.889 -3.869 309 HD3 ARG 45 2HD ARG 45 -10.889 8.222 -3.382 310 HE ARG 45 HE ARG 45 -9.330 8.973 -1.852 311 HH11 ARG 45 1HH1 ARG 45 -10.364 11.587 -3.904 312 HH12 ARG 45 2HH1 ARG 45 -9.633 12.817 -2.927 313 HH21 ARG 45 1HH2 ARG 45 -8.364 10.582 -0.556 314 HH22 ARG 45 2HH2 ARG 45 -8.495 12.244 -1.023 315 H GLY 46 H GLY 46 -8.739 11.056 -8.570 316 HA2 GLY 46 1HA GLY 46 -7.014 13.440 -8.429 317 HA3 GLY 46 2HA GLY 46 -7.709 12.778 -9.902 318 HA PRO 47 HA PRO 47 -10.327 16.272 -8.003 319 HB2 PRO 47 1HB PRO 47 -9.670 18.248 -9.746 320 HB3 PRO 47 2HB PRO 47 -8.798 17.971 -8.233 321 HG2 PRO 47 1HG PRO 47 -8.083 17.127 -11.015 322 HG3 PRO 47 2HG PRO 47 -7.043 17.808 -9.750 323 HD2 PRO 47 1HD PRO 47 -7.122 15.158 -10.301 324 HD3 PRO 47 2HD PRO 47 -6.821 15.785 -8.668 325 H ASP 48 H ASP 48 -10.039 14.411 -10.703 326 HA ASP 48 HA ASP 48 -12.106 15.701 -12.284 327 HB2 ASP 48 1HB ASP 48 -10.498 13.174 -12.655 328 HB3 ASP 48 2HB ASP 48 -11.805 13.636 -13.741 329 H GLY 49 H GLY 49 -11.727 12.936 -10.146 330 HA2 GLY 49 1HA GLY 49 -13.900 12.534 -8.889 331 HA3 GLY 49 2HA GLY 49 -14.597 12.335 -10.490 332 H LYS 50 H LYS 50 -12.040 11.008 -11.381 333 HA LYS 50 HA LYS 50 -12.594 8.377 -10.175 334 HB2 LYS 50 1HB LYS 50 -11.612 7.507 -12.373 335 HB3 LYS 50 2HB LYS 50 -13.214 8.229 -12.437 336 HG2 LYS 50 1HG LYS 50 -12.133 10.359 -13.172 337 HG3 LYS 50 2HG LYS 50 -10.611 9.473 -13.290 338 HD2 LYS 50 1HD LYS 50 -11.577 7.977 -14.937 339 HD3 LYS 50 2HD LYS 50 -13.146 8.768 -14.770 340 HE2 LYS 50 1HE LYS 50 -12.264 9.737 -16.689 341 HE3 LYS 50 2HE LYS 50 -11.885 10.916 -15.434 342 HZ1 LYS 50 3HZ LYS 50 -10.051 10.287 -17.060 343 HZ2 LYS 50 1HZ LYS 50 -9.949 8.825 -16.215 344 HZ3 LYS 50 2HZ LYS 50 -9.658 10.286 -15.414 345 H LEU 51 H LEU 51 -10.867 6.999 -9.695 346 HA LEU 51 HA LEU 51 -8.306 8.383 -9.334 347 HB2 LEU 51 1HB LEU 51 -7.845 6.395 -7.809 348 HB3 LEU 51 2HB LEU 51 -9.039 7.576 -7.276 349 HG LEU 51 HG LEU 51 -10.825 6.022 -8.066 350 HD11 LEU 51 1HD1 LEU 51 -8.457 4.511 -8.921 351 HD12 LEU 51 2HD1 LEU 51 -10.107 4.487 -9.539 352 HD13 LEU 51 3HD1 LEU 51 -9.694 3.563 -8.096 353 HD21 LEU 51 3HD2 LEU 51 -10.678 5.827 -5.816 354 HD22 LEU 51 1HD2 LEU 51 -8.945 5.500 -5.845 355 HD23 LEU 51 2HD2 LEU 51 -10.091 4.216 -6.232 356 H GLN 52 H GLN 52 -6.432 7.647 -10.206 357 HA GLN 52 HA GLN 52 -6.305 5.040 -11.463 358 HB2 GLN 52 1HB GLN 52 -5.376 6.289 -13.588 359 HB3 GLN 52 2HB GLN 52 -7.099 5.998 -13.394 360 HG2 GLN 52 1HG GLN 52 -7.406 8.264 -12.569 361 HG3 GLN 52 2HG GLN 52 -5.674 8.561 -12.715 362 HE21 GLN 52 1HE2 GLN 52 -8.560 9.061 -14.156 363 HE22 GLN 52 2HE2 GLN 52 -8.045 9.272 -15.792 364 H TRP 53 H TRP 53 -4.531 4.352 -10.432 365 HA TRP 53 HA TRP 53 -2.027 5.722 -10.956 366 HB2 TRP 53 1HB TRP 53 -2.986 6.644 -8.781 367 HB3 TRP 53 2HB TRP 53 -2.729 5.039 -8.102 368 HD1 TRP 53 HD TRP 53 -0.146 6.511 -10.497 369 HE1 TRP 53 1HE TRP 53 2.020 6.982 -9.189 370 HE3 TRP 53 3HE TRP 53 -1.845 5.608 -5.760 371 HZ2 TRP 53 2HZ TRP 53 2.893 6.972 -6.505 372 HZ3 TRP 53 3HZ TRP 53 -0.280 5.861 -3.878 373 HH2 TRP 53 HH TRP 53 2.040 6.529 -4.245 374 H GLU 54 H GLU 54 -0.669 4.214 -11.640 375 HA GLU 54 HA GLU 54 -0.963 1.476 -10.592 376 HB2 GLU 54 1HB GLU 54 -1.380 1.869 -13.063 377 HB3 GLU 54 2HB GLU 54 0.329 2.254 -13.205 378 HG2 GLU 54 1HG GLU 54 0.883 0.014 -12.357 379 HG3 GLU 54 2HG GLU 54 -0.837 -0.366 -12.295 380 H GLU 55 H GLU 55 0.432 1.567 -8.870 381 HA GLU 55 HA GLU 55 3.269 1.941 -9.558 382 HB2 GLU 55 1HB GLU 55 1.696 3.159 -7.341 383 HB3 GLU 55 2HB GLU 55 3.351 2.675 -7.000 384 HG2 GLU 55 1HG GLU 55 2.700 4.387 -9.366 385 HG3 GLU 55 2HG GLU 55 2.903 5.082 -7.759 386 H GLU 56 H GLU 56 4.216 0.025 -9.394 387 HA GLU 56 HA GLU 56 3.169 -2.009 -7.617 388 HB2 GLU 56 1HB GLU 56 3.843 -2.739 -9.803 389 HB3 GLU 56 2HB GLU 56 5.431 -2.010 -9.615 390 HG2 GLU 56 1HG GLU 56 5.955 -4.176 -9.196 391 HG3 GLU 56 2HG GLU 56 5.565 -3.649 -7.559 392 H ALA 57 H ALA 57 4.116 -2.776 -5.789 393 HA ALA 57 HA ALA 57 6.550 -1.385 -4.877 394 HB1 ALA 57 3HB ALA 57 5.727 -1.518 -2.616 395 HB2 ALA 57 1HB ALA 57 4.510 -0.748 -3.634 396 HB3 ALA 57 2HB ALA 57 4.316 -2.432 -3.146 397 H THR 58 H THR 58 8.223 -2.585 -4.165 398 HA THR 58 HA THR 58 8.423 -5.296 -4.813 399 HB THR 58 HB THR 58 10.093 -3.700 -2.860 400 HG1 THR 58 1HG THR 58 10.538 -2.791 -4.753 401 HG21 THR 58 3HG2 THR 58 10.070 -6.463 -3.262 402 HG22 THR 58 1HG2 THR 58 11.334 -5.516 -2.478 403 HG23 THR 58 2HG2 THR 58 11.440 -5.875 -4.202 404 H VAL 59 H VAL 59 8.147 -7.165 -3.698 405 HA VAL 59 HA VAL 59 7.109 -6.939 -0.947 406 HB VAL 59 HB VAL 59 6.323 -8.964 -3.047 407 HG11 VAL 59 1HG1 VAL 59 6.420 -9.619 -0.532 408 HG12 VAL 59 2HG1 VAL 59 4.963 -8.631 -0.406 409 HG13 VAL 59 3HG1 VAL 59 4.993 -10.026 -1.485 410 HG21 VAL 59 3HG2 VAL 59 4.632 -7.631 -3.616 411 HG22 VAL 59 1HG2 VAL 59 4.196 -7.360 -1.928 412 HG23 VAL 59 2HG2 VAL 59 5.425 -6.354 -2.694 413 H ASN 60 H ASN 60 8.292 -7.919 0.549 414 HA ASN 60 HA ASN 60 10.385 -9.775 -0.278 415 HB2 ASN 60 1HB ASN 60 10.699 -7.770 1.336 416 HB3 ASN 60 2HB ASN 60 9.948 -8.815 2.538 417 HD21 ASN 60 1HD2 ASN 60 12.086 -8.434 3.554 418 HD22 ASN 60 2HD2 ASN 60 13.368 -9.523 3.157 419 H ARG 61 H ARG 61 9.494 -11.755 -0.591 420 HA ARG 61 HA ARG 61 7.434 -12.867 0.993 421 HB2 ARG 61 1HB ARG 61 9.348 -13.932 -1.043 422 HB3 ARG 61 2HB ARG 61 8.419 -15.066 -0.070 423 HG2 ARG 61 1HG ARG 61 7.105 -14.812 -1.947 424 HG3 ARG 61 2HG ARG 61 6.378 -13.668 -0.817 425 HD2 ARG 61 1HD ARG 61 7.485 -11.826 -1.864 426 HD3 ARG 61 2HD ARG 61 8.451 -12.909 -2.865 427 HE ARG 61 HE ARG 61 5.625 -13.213 -3.260 428 HH11 ARG 61 1HH1 ARG 61 8.453 -11.398 -4.171 429 HH12 ARG 61 2HH1 ARG 61 7.810 -10.918 -5.706 430 HH21 ARG 61 1HH2 ARG 61 4.768 -12.588 -5.279 431 HH22 ARG 61 2HH2 ARG 61 5.714 -11.595 -6.336 432 H LEU 62 H LEU 62 10.932 -12.951 1.201 433 HA LEU 62 HA LEU 62 11.281 -15.067 2.971 434 HB2 LEU 62 1HB LEU 62 12.796 -12.531 2.486 435 HB3 LEU 62 2HB LEU 62 13.292 -13.640 3.762 436 HG LEU 62 HG LEU 62 13.014 -14.489 0.887 437 HD11 LEU 62 1HD1 LEU 62 15.278 -14.044 0.502 438 HD12 LEU 62 2HD1 LEU 62 15.606 -13.760 2.211 439 HD13 LEU 62 3HD1 LEU 62 14.669 -12.586 1.286 440 HD21 LEU 62 3HD2 LEU 62 14.771 -16.160 1.818 441 HD22 LEU 62 1HD2 LEU 62 13.063 -16.401 2.184 442 HD23 LEU 62 2HD2 LEU 62 14.130 -15.684 3.391 443 H GLN 63 H GLN 63 10.458 -11.692 3.606 444 HA GLN 63 HA GLN 63 10.437 -12.123 6.473 445 HB2 GLN 63 1HB GLN 63 9.973 -9.753 4.692 446 HB3 GLN 63 2HB GLN 63 9.498 -9.698 6.384 447 HG2 GLN 63 1HG GLN 63 11.934 -10.477 6.823 448 HG3 GLN 63 2HG GLN 63 12.225 -9.878 5.191 449 HE21 GLN 63 1HE2 GLN 63 12.064 -9.078 8.429 450 HE22 GLN 63 2HE2 GLN 63 12.041 -7.357 8.275 451 H SER 64 H SER 64 8.117 -11.569 3.865 452 HA SER 64 HA SER 64 5.819 -11.445 5.513 453 HB2 SER 64 1HB SER 64 4.594 -11.344 3.547 454 HB3 SER 64 2HB SER 64 6.173 -10.796 2.986 455 HG SER 64 HG SER 64 4.882 -12.658 1.893 456 H ASN 65 H ASN 65 4.095 -13.034 5.637 457 HA ASN 65 HA ASN 65 4.779 -15.801 5.105 458 HB2 ASN 65 1HB ASN 65 4.373 -16.509 7.443 459 HB3 ASN 65 2HB ASN 65 5.793 -15.477 7.294 460 HD21 ASN 65 1HD2 ASN 65 5.920 -14.401 9.136 461 HD22 ASN 65 2HD2 ASN 65 4.639 -13.499 9.865 462 H GLU 66 H GLU 66 2.866 -17.154 6.347 463 HA GLU 66 HA GLU 66 0.577 -16.759 4.870 464 HB2 GLU 66 1HB GLU 66 1.345 -18.734 6.430 465 HB3 GLU 66 2HB GLU 66 0.342 -17.915 7.619 466 HG2 GLU 66 1HG GLU 66 -1.594 -18.133 6.222 467 HG3 GLU 66 2HG GLU 66 -0.621 -18.787 4.906 468 H VAL 67 H VAL 67 1.505 -15.293 7.900 469 HA VAL 67 HA VAL 67 -0.959 -13.679 7.814 470 HB VAL 67 HB VAL 67 -0.976 -13.560 10.241 471 HG11 VAL 67 1HG1 VAL 67 -1.033 -16.239 8.927 472 HG12 VAL 67 2HG1 VAL 67 -1.273 -16.118 10.671 473 HG13 VAL 67 3HG1 VAL 67 -2.361 -15.273 9.569 474 HG21 VAL 67 3HG2 VAL 67 0.888 -15.707 10.789 475 HG22 VAL 67 1HG2 VAL 67 1.686 -14.320 10.048 476 HG23 VAL 67 2HG2 VAL 67 0.756 -14.113 11.532 477 H THR 68 H THR 68 1.520 -13.032 6.577 478 HA THR 68 HA THR 68 1.992 -10.469 7.831 479 HB THR 68 HB THR 68 4.315 -12.362 7.419 480 HG1 THR 68 1HG THR 68 3.118 -11.363 9.809 481 HG21 THR 68 3HG2 THR 68 5.300 -10.343 8.888 482 HG22 THR 68 1HG2 THR 68 4.087 -9.461 7.963 483 HG23 THR 68 2HG2 THR 68 5.351 -10.362 7.126 484 H LEU 69 H LEU 69 2.519 -8.926 6.369 485 HA LEU 69 HA LEU 69 3.359 -9.776 3.687 486 HB2 LEU 69 1HB LEU 69 0.952 -8.220 4.461 487 HB3 LEU 69 2HB LEU 69 1.807 -7.733 2.999 488 HG LEU 69 HG LEU 69 0.563 -10.428 3.539 489 HD11 LEU 69 1HD1 LEU 69 -0.675 -8.126 2.773 490 HD12 LEU 69 2HD1 LEU 69 -1.232 -9.753 2.386 491 HD13 LEU 69 3HD1 LEU 69 -0.267 -8.851 1.218 492 HD21 LEU 69 3HD2 LEU 69 1.128 -10.730 1.061 493 HD22 LEU 69 1HD2 LEU 69 2.440 -10.898 2.228 494 HD23 LEU 69 2HD2 LEU 69 2.276 -9.411 1.295 495 H THR 70 H THR 70 5.377 -8.968 3.668 496 HA THR 70 HA THR 70 5.789 -6.194 4.548 497 HB THR 70 HB THR 70 7.902 -8.272 3.951 498 HG1 THR 70 1HG THR 70 6.440 -7.672 6.273 499 HG21 THR 70 3HG2 THR 70 7.943 -5.438 4.688 500 HG22 THR 70 1HG2 THR 70 9.202 -6.438 3.965 501 HG23 THR 70 2HG2 THR 70 8.954 -6.458 5.711 502 H LEU 71 H LEU 71 6.186 -4.635 3.113 503 HA LEU 71 HA LEU 71 7.289 -5.303 0.496 504 HB2 LEU 71 1HB LEU 71 5.589 -4.148 -0.724 505 HB3 LEU 71 2HB LEU 71 4.825 -5.378 0.280 506 HG LEU 71 HG LEU 71 4.969 -2.590 1.318 507 HD11 LEU 71 1HD1 LEU 71 2.606 -3.245 -0.318 508 HD12 LEU 71 2HD1 LEU 71 4.085 -2.870 -1.203 509 HD13 LEU 71 3HD1 LEU 71 3.422 -1.702 -0.060 510 HD21 LEU 71 3HD2 LEU 71 2.506 -4.161 1.490 511 HD22 LEU 71 1HD2 LEU 71 3.404 -3.312 2.748 512 HD23 LEU 71 2HD2 LEU 71 3.905 -4.926 2.245 513 H THR 72 H THR 72 7.841 -3.296 -0.751 514 HA THR 72 HA THR 72 8.924 -1.303 1.106 515 HB THR 72 HB THR 72 9.629 -1.670 -1.809 516 HG1 THR 72 1HG THR 72 10.733 -2.820 0.544 517 HG21 THR 72 3HG2 THR 72 11.167 -0.332 0.416 518 HG22 THR 72 1HG2 THR 72 10.152 0.529 -0.740 519 HG23 THR 72 2HG2 THR 72 11.573 -0.354 -1.300 520 H VAL 73 H VAL 73 7.511 0.311 1.422 521 HA VAL 73 HA VAL 73 5.423 1.195 -0.030 522 HB VAL 73 HB VAL 73 7.384 3.038 1.343 523 HG11 VAL 73 1HG1 VAL 73 5.264 3.741 -0.220 524 HG12 VAL 73 2HG1 VAL 73 4.527 3.677 1.382 525 HG13 VAL 73 3HG1 VAL 73 5.921 4.718 1.093 526 HG21 VAL 73 3HG2 VAL 73 6.636 2.335 3.328 527 HG22 VAL 73 1HG2 VAL 73 4.959 2.318 2.783 528 HG23 VAL 73 2HG2 VAL 73 6.004 0.934 2.464 529 HA PRO 74 HA PRO 74 7.199 2.438 -3.920 530 HB2 PRO 74 1HB PRO 74 4.873 3.291 -5.030 531 HB3 PRO 74 2HB PRO 74 5.296 1.581 -4.882 532 HG2 PRO 74 1HG PRO 74 3.512 3.248 -3.150 533 HG3 PRO 74 2HG PRO 74 3.266 1.597 -3.747 534 HD2 PRO 74 1HD PRO 74 4.120 2.124 -1.232 535 HD3 PRO 74 2HD PRO 74 4.621 0.674 -2.126 536 H GLU 75 H GLU 75 6.992 4.454 -5.338 537 HA GLU 75 HA GLU 75 7.235 6.784 -3.596 538 HB2 GLU 75 1HB GLU 75 8.165 6.124 -6.367 539 HB3 GLU 75 2HB GLU 75 8.057 7.804 -5.861 540 HG2 GLU 75 1HG GLU 75 10.212 7.388 -5.301 541 HG3 GLU 75 2HG GLU 75 9.431 6.905 -3.797 542 H TYR 76 H TYR 76 5.883 8.485 -3.626 543 HA TYR 76 HA TYR 76 3.372 8.222 -4.978 544 HB2 TYR 76 1HB TYR 76 3.571 9.196 -2.710 545 HB3 TYR 76 2HB TYR 76 4.458 10.557 -3.388 546 HD1 TYR 76 1HD TYR 76 1.488 8.901 -4.869 547 HD2 TYR 76 2HD TYR 76 3.004 12.337 -2.869 548 HE1 TYR 76 1HE TYR 76 -0.635 10.071 -5.284 549 HE2 TYR 76 2HE TYR 76 0.884 13.517 -3.278 550 HH TYR 76 HH TYR 76 -1.298 12.666 -5.480 551 H SER 77 H SER 77 2.650 9.223 -6.772 552 HA SER 77 HA SER 77 4.175 10.000 -8.834 553 HB2 SER 77 1HB SER 77 1.962 9.948 -9.443 554 HB3 SER 77 2HB SER 77 1.431 10.790 -7.988 555 HG SER 77 HG SER 77 2.939 12.098 -9.984 556 H ASN 78 H ASN 78 2.891 12.292 -6.425 557 HA ASN 78 HA ASN 78 4.884 14.253 -7.329 558 HB2 ASN 78 1HB ASN 78 2.284 14.700 -7.147 559 HB3 ASN 78 2HB ASN 78 2.674 14.975 -5.452 560 HD21 ASN 78 1HD2 ASN 78 1.715 16.842 -7.461 561 HD22 ASN 78 2HD2 ASN 78 2.892 18.104 -7.547 562 H LYS 79 H LYS 79 6.658 14.401 -6.143 563 HA LYS 79 HA LYS 79 6.549 13.631 -3.310 564 HB2 LYS 79 1HB LYS 79 8.952 13.941 -5.119 565 HB3 LYS 79 2HB LYS 79 8.979 13.366 -3.457 566 HG2 LYS 79 1HG LYS 79 7.563 11.453 -4.150 567 HG3 LYS 79 2HG LYS 79 7.703 12.006 -5.820 568 HD2 LYS 79 1HD LYS 79 10.288 11.945 -5.226 569 HD3 LYS 79 2HD LYS 79 9.735 10.751 -4.049 570 HE2 LYS 79 1HE LYS 79 10.121 9.381 -5.833 571 HE3 LYS 79 2HE LYS 79 8.440 9.807 -6.149 572 HZ1 LYS 79 3HZ LYS 79 10.859 10.952 -7.425 573 HZ2 LYS 79 1HZ LYS 79 9.316 11.624 -7.596 574 HZ3 LYS 79 2HZ LYS 79 9.625 10.062 -8.164 575 H ARG 80 H ARG 80 7.458 16.220 -5.499 576 HA ARG 80 HA ARG 80 8.551 17.884 -3.423 577 HB2 ARG 80 1HB ARG 80 8.637 19.616 -5.190 578 HB3 ARG 80 2HB ARG 80 9.402 18.110 -5.677 579 HG2 ARG 80 1HG ARG 80 7.302 17.517 -6.883 580 HG3 ARG 80 2HG ARG 80 6.701 19.134 -6.513 581 HD2 ARG 80 1HD ARG 80 9.331 18.712 -7.894 582 HD3 ARG 80 2HD ARG 80 7.814 18.747 -8.793 583 HE ARG 80 HE ARG 80 8.019 21.013 -7.112 584 HH11 ARG 80 1HH1 ARG 80 9.280 19.669 -10.065 585 HH12 ARG 80 2HH1 ARG 80 9.627 21.212 -10.773 586 HH21 ARG 80 1HH2 ARG 80 8.472 23.050 -8.032 587 HH22 ARG 80 2HH2 ARG 80 9.168 23.135 -9.615 588 H VAL 81 H VAL 81 6.169 17.172 -2.467 589 HA VAL 81 HA VAL 81 4.347 19.419 -3.001 590 HB VAL 81 HB VAL 81 2.678 18.023 -1.704 591 HG11 VAL 81 1HG1 VAL 81 2.124 17.911 -3.888 592 HG12 VAL 81 2HG1 VAL 81 3.762 17.488 -4.392 593 HG13 VAL 81 3HG1 VAL 81 2.693 16.250 -3.731 594 HG21 VAL 81 3HG2 VAL 81 3.139 15.612 -1.555 595 HG22 VAL 81 1HG2 VAL 81 4.788 15.905 -2.106 596 HG23 VAL 81 2HG2 VAL 81 4.245 16.559 -0.561 597 H SER 82 H SER 82 3.724 20.796 -1.400 598 HA SER 82 HA SER 82 5.346 20.784 1.011 599 HB2 SER 82 1HB SER 82 4.792 22.837 -0.499 600 HB3 SER 82 2HB SER 82 3.266 22.860 0.385 601 HG SER 82 HG SER 82 4.430 24.012 1.729 602 H ARG 83 H ARG 83 2.316 19.678 0.063 603 HA ARG 83 HA ARG 83 1.432 19.560 2.870 604 HB2 ARG 83 1HB ARG 83 -0.174 20.119 0.387 605 HB3 ARG 83 2HB ARG 83 -0.929 19.494 1.847 606 HG2 ARG 83 1HG ARG 83 -0.184 21.438 3.095 607 HG3 ARG 83 2HG ARG 83 0.643 22.056 1.663 608 HD2 ARG 83 1HD ARG 83 -1.354 23.231 1.643 609 HD3 ARG 83 2HD ARG 83 -1.682 21.892 0.544 610 HE ARG 83 HE ARG 83 -2.457 21.162 3.144 611 HH11 ARG 83 1HH1 ARG 83 -3.388 23.308 0.565 612 HH12 ARG 83 2HH1 ARG 83 -5.064 23.316 1.001 613 HH21 ARG 83 1HH2 ARG 83 -4.662 21.164 3.727 614 HH22 ARG 83 2HH2 ARG 83 -5.788 22.096 2.800 615 HA PRO 84 HA PRO 84 1.282 15.195 2.374 616 HB2 PRO 84 1HB PRO 84 -0.603 14.578 4.228 617 HB3 PRO 84 2HB PRO 84 1.035 15.086 4.656 618 HG2 PRO 84 1HG PRO 84 -1.490 16.692 4.592 619 HG3 PRO 84 2HG PRO 84 -0.199 16.685 5.807 620 HD2 PRO 84 1HD PRO 84 -0.401 18.604 3.907 621 HD3 PRO 84 2HD PRO 84 1.161 18.060 4.553 622 H VAL 85 H VAL 85 -0.013 13.482 1.584 623 HA VAL 85 HA VAL 85 -2.621 14.297 0.478 624 HB VAL 85 HB VAL 85 -0.538 12.585 -0.887 625 HG11 VAL 85 1HG1 VAL 85 -3.327 12.529 -1.156 626 HG12 VAL 85 2HG1 VAL 85 -2.721 13.411 -2.559 627 HG13 VAL 85 3HG1 VAL 85 -2.129 11.786 -2.215 628 HG21 VAL 85 3HG2 VAL 85 -1.171 14.675 -2.555 629 HG22 VAL 85 1HG2 VAL 85 -1.162 15.431 -0.962 630 HG23 VAL 85 2HG2 VAL 85 0.265 14.570 -1.537 631 H GLN 86 H GLN 86 -4.272 12.885 0.710 632 HA GLN 86 HA GLN 86 -3.790 10.543 2.362 633 HB2 GLN 86 1HB GLN 86 -5.617 11.955 3.035 634 HB3 GLN 86 2HB GLN 86 -6.326 11.888 1.427 635 HG2 GLN 86 1HG GLN 86 -7.554 10.477 2.951 636 HG3 GLN 86 2HG GLN 86 -6.758 9.501 1.718 637 HE21 GLN 86 1HE2 GLN 86 -6.577 7.626 2.821 638 HE22 GLN 86 2HE2 GLN 86 -5.644 7.432 4.262 639 H VAL 87 H VAL 87 -3.415 8.631 1.477 640 HA VAL 87 HA VAL 87 -4.767 7.959 -1.053 641 HB VAL 87 HB VAL 87 -2.798 6.641 -1.716 642 HG11 VAL 87 1HG1 VAL 87 -1.558 8.430 -2.557 643 HG12 VAL 87 2HG1 VAL 87 -3.157 9.123 -2.280 644 HG13 VAL 87 3HG1 VAL 87 -1.852 9.426 -1.132 645 HG21 VAL 87 3HG2 VAL 87 -0.686 6.875 -0.534 646 HG22 VAL 87 1HG2 VAL 87 -1.457 7.904 0.673 647 HG23 VAL 87 2HG2 VAL 87 -1.918 6.207 0.536 648 H TYR 88 H TYR 88 -4.793 5.545 -1.438 649 HA TYR 88 HA TYR 88 -4.984 4.037 1.076 650 HB2 TYR 88 1HB TYR 88 -7.083 4.255 -1.079 651 HB3 TYR 88 2HB TYR 88 -7.061 2.940 0.091 652 HD1 TYR 88 2HD TYR 88 -7.232 6.643 -0.186 653 HD2 TYR 88 1HD TYR 88 -8.023 3.216 2.209 654 HE1 TYR 88 2HE TYR 88 -8.466 8.050 1.410 655 HE2 TYR 88 1HE TYR 88 -9.260 4.614 3.811 656 HH TYR 88 HH TYR 88 -9.008 7.653 4.178 657 H PHE 89 H PHE 89 -5.198 1.643 0.647 658 HA PHE 89 HA PHE 89 -4.117 0.724 -1.882 659 HB2 PHE 89 1HB PHE 89 -2.255 -0.516 -0.724 660 HB3 PHE 89 2HB PHE 89 -2.055 1.232 -0.781 661 HD1 PHE 89 2HD PHE 89 -3.146 -1.551 1.411 662 HD2 PHE 89 1HD PHE 89 -1.749 2.463 1.176 663 HE1 PHE 89 2HE PHE 89 -2.866 -1.509 3.854 664 HE2 PHE 89 1HE PHE 89 -1.465 2.510 3.620 665 HZ PHE 89 HZ PHE 89 -2.025 0.523 4.962 666 H TYR 90 H TYR 90 -4.037 -1.657 -2.001 667 HA TYR 90 HA TYR 90 -5.530 -3.108 0.022 668 HB2 TYR 90 1HB TYR 90 -7.223 -3.924 -1.545 669 HB3 TYR 90 2HB TYR 90 -7.300 -2.171 -1.403 670 HD1 TYR 90 1HD TYR 90 -6.330 -4.968 -3.593 671 HD2 TYR 90 2HD TYR 90 -6.823 -0.754 -3.279 672 HE1 TYR 90 1HE TYR 90 -6.138 -4.770 -6.037 673 HE2 TYR 90 2HE TYR 90 -6.633 -0.544 -5.722 674 HH TYR 90 HH TYR 90 -7.126 -2.682 -7.796 675 H VAL 91 H VAL 91 -5.815 -5.473 -0.744 676 HA VAL 91 HA VAL 91 -3.322 -6.290 -2.088 677 HB VAL 91 HB VAL 91 -4.889 -7.863 -0.040 678 HG11 VAL 91 1HG1 VAL 91 -2.068 -8.436 -0.806 679 HG12 VAL 91 2HG1 VAL 91 -3.319 -9.527 -0.208 680 HG13 VAL 91 3HG1 VAL 91 -3.365 -8.962 -1.878 681 HG21 VAL 91 3HG2 VAL 91 -2.229 -6.515 0.364 682 HG22 VAL 91 1HG2 VAL 91 -3.763 -5.767 0.808 683 HG23 VAL 91 2HG2 VAL 91 -3.261 -7.273 1.577 684 H SER 92 H SER 92 -3.398 -7.769 -3.713 685 HA SER 92 HA SER 92 -6.072 -8.474 -4.693 686 HB2 SER 92 1HB SER 92 -4.606 -7.232 -6.243 687 HB3 SER 92 2HB SER 92 -3.412 -8.525 -6.140 688 HG SER 92 HG SER 92 -4.489 -9.464 -7.665 689 H ASN 93 H ASN 93 -6.757 -10.419 -4.105 690 HA ASN 93 HA ASN 93 -4.864 -12.667 -4.243 691 HB2 ASN 93 1HB ASN 93 -7.033 -12.376 -2.156 692 HB3 ASN 93 2HB ASN 93 -5.830 -13.658 -2.261 693 HD21 ASN 93 1HD2 ASN 93 -4.711 -13.385 -0.437 694 HD22 ASN 93 2HD2 ASN 93 -3.889 -11.933 0.013 695 H GLY 94 H GLY 94 -5.528 -13.677 -6.052 696 HA2 GLY 94 1HA GLY 94 -6.901 -15.276 -7.093 697 HA3 GLY 94 2HA GLY 94 -8.227 -14.786 -6.049 698 H ARG 95 H ARG 95 -9.835 -14.182 -7.350 699 HA ARG 95 HA ARG 95 -9.235 -12.170 -9.413 700 HB2 ARG 95 1HB ARG 95 -11.014 -13.180 -10.816 701 HB3 ARG 95 2HB ARG 95 -9.647 -14.256 -10.558 702 HG2 ARG 95 1HG ARG 95 -10.849 -15.644 -9.131 703 HG3 ARG 95 2HG ARG 95 -12.079 -14.417 -8.822 704 HD2 ARG 95 1HD ARG 95 -12.664 -14.607 -11.289 705 HD3 ARG 95 2HD ARG 95 -11.662 -16.057 -11.306 706 HE ARG 95 HE ARG 95 -13.399 -16.439 -9.231 707 HH11 ARG 95 1HH1 ARG 95 -13.717 -15.766 -12.632 708 HH12 ARG 95 2HH1 ARG 95 -15.227 -16.602 -12.790 709 HH21 ARG 95 1HH2 ARG 95 -15.386 -17.543 -9.426 710 HH22 ARG 95 2HH2 ARG 95 -16.175 -17.612 -10.965 711 H ARG 96 H ARG 96 -11.611 -13.532 -7.189 712 HA ARG 96 HA ARG 96 -13.189 -11.060 -7.405 713 HB2 ARG 96 1HB ARG 96 -15.009 -12.340 -6.340 714 HB3 ARG 96 2HB ARG 96 -14.469 -13.079 -7.841 715 HG2 ARG 96 1HG ARG 96 -13.219 -14.744 -6.621 716 HG3 ARG 96 2HG ARG 96 -13.626 -13.965 -5.090 717 HD2 ARG 96 1HD ARG 96 -15.973 -14.451 -5.430 718 HD3 ARG 96 2HD ARG 96 -15.628 -15.133 -7.019 719 HE ARG 96 HE ARG 96 -15.039 -17.085 -5.997 720 HH11 ARG 96 1HH1 ARG 96 -14.927 -14.516 -3.649 721 HH12 ARG 96 2HH1 ARG 96 -14.615 -15.574 -2.313 722 HH21 ARG 96 1HH2 ARG 96 -14.629 -18.488 -4.246 723 HH22 ARG 96 2HH2 ARG 96 -14.445 -17.833 -2.654 724 H LYS 97 H LYS 97 -11.561 -13.207 -5.140 725 HA LYS 97 HA LYS 97 -12.333 -11.799 -2.790 726 HB2 LYS 97 1HB LYS 97 -10.002 -13.665 -3.270 727 HB3 LYS 97 2HB LYS 97 -10.547 -13.112 -1.692 728 HG2 LYS 97 1HG LYS 97 -12.674 -14.235 -2.004 729 HG3 LYS 97 2HG LYS 97 -12.187 -14.742 -3.623 730 HD2 LYS 97 1HD LYS 97 -10.308 -16.001 -2.623 731 HD3 LYS 97 2HD LYS 97 -10.891 -15.550 -1.019 732 HE2 LYS 97 1HE LYS 97 -13.065 -16.649 -1.600 733 HE3 LYS 97 2HE LYS 97 -12.305 -17.238 -3.077 734 HZ1 LYS 97 3HZ LYS 97 -12.345 -18.642 -0.854 735 HZ2 LYS 97 1HZ LYS 97 -10.922 -17.774 -0.565 736 HZ3 LYS 97 2HZ LYS 97 -11.060 -18.735 -1.950 737 H ARG 98 H ARG 98 -11.516 -10.010 -1.904 738 HA ARG 98 HA ARG 98 -8.809 -9.154 -2.553 739 HB2 ARG 98 1HB ARG 98 -11.287 -7.755 -3.417 740 HB3 ARG 98 2HB ARG 98 -9.964 -6.760 -2.825 741 HG2 ARG 98 1HG ARG 98 -8.557 -7.367 -4.558 742 HG3 ARG 98 2HG ARG 98 -9.466 -8.838 -4.912 743 HD2 ARG 98 1HD ARG 98 -11.200 -7.640 -5.956 744 HD3 ARG 98 2HD ARG 98 -10.655 -6.105 -5.282 745 HE ARG 98 HE ARG 98 -8.569 -6.914 -6.822 746 HH11 ARG 98 1HH1 ARG 98 -11.972 -6.453 -7.394 747 HH12 ARG 98 2HH1 ARG 98 -11.767 -6.032 -9.062 748 HH21 ARG 98 1HH2 ARG 98 -8.287 -6.360 -9.017 749 HH22 ARG 98 2HH2 ARG 98 -9.671 -5.980 -9.985 750 H SER 99 H SER 99 -8.266 -7.105 -1.270 751 HA SER 99 HA SER 99 -9.391 -7.420 1.428 752 HB2 SER 99 1HB SER 99 -7.317 -6.941 2.316 753 HB3 SER 99 2HB SER 99 -6.831 -7.694 0.797 754 HG SER 99 HG SER 99 -5.778 -5.663 1.263 755 HA PRO 100 HA PRO 100 -11.086 -3.372 1.430 756 HB2 PRO 100 1HB PRO 100 -10.741 -2.654 4.026 757 HB3 PRO 100 2HB PRO 100 -11.931 -3.856 3.511 758 HG2 PRO 100 1HG PRO 100 -9.201 -4.269 4.669 759 HG3 PRO 100 2HG PRO 100 -10.713 -5.119 5.037 760 HD2 PRO 100 1HD PRO 100 -8.818 -6.157 3.405 761 HD3 PRO 100 2HD PRO 100 -10.550 -6.474 3.179 762 H THR 101 H THR 101 -10.569 -1.165 1.443 763 HA THR 101 HA THR 101 -7.781 -0.583 1.048 764 HB THR 101 HB THR 101 -8.636 1.780 0.672 765 HG1 THR 101 1HG THR 101 -10.570 1.791 1.747 766 HG21 THR 101 3HG2 THR 101 -9.138 1.309 -1.516 767 HG22 THR 101 1HG2 THR 101 -10.169 -0.059 -1.101 768 HG23 THR 101 2HG2 THR 101 -8.414 -0.225 -1.036 769 H GLN 102 H GLN 102 -6.397 0.383 2.411 770 HA GLN 102 HA GLN 102 -7.378 1.052 5.086 771 HB2 GLN 102 1HB GLN 102 -4.721 0.261 3.966 772 HB3 GLN 102 2HB GLN 102 -4.775 1.180 5.464 773 HG2 GLN 102 1HG GLN 102 -4.669 -1.085 6.083 774 HG3 GLN 102 2HG GLN 102 -6.335 -0.579 6.357 775 HE21 GLN 102 1HE2 GLN 102 -7.945 -1.598 5.313 776 HE22 GLN 102 2HE2 GLN 102 -7.720 -2.878 4.175 777 H SER 103 H SER 103 -7.031 3.028 6.053 778 HA SER 103 HA SER 103 -6.800 5.266 4.272 779 HB2 SER 103 1HB SER 103 -8.351 5.263 6.208 780 HB3 SER 103 2HB SER 103 -6.963 5.236 7.296 781 HG SER 103 HG SER 103 -6.314 7.237 6.251 782 H PHE 104 H PHE 104 -4.841 5.738 3.492 783 HA PHE 104 HA PHE 104 -2.615 5.952 5.412 784 HB2 PHE 104 1HB PHE 104 -2.599 4.153 3.466 785 HB3 PHE 104 2HB PHE 104 -2.079 5.533 2.505 786 HD1 PHE 104 2HD PHE 104 -1.292 4.399 5.971 787 HD2 PHE 104 1HD PHE 104 0.174 5.408 2.105 788 HE1 PHE 104 2HE PHE 104 1.014 4.078 6.766 789 HE2 PHE 104 1HE PHE 104 2.483 5.087 2.893 790 HZ PHE 104 HZ PHE 104 2.905 4.422 5.226 791 H ARG 105 H ARG 105 -0.951 7.551 4.807 792 HA ARG 105 HA ARG 105 -1.721 9.641 2.964 793 HB2 ARG 105 1HB ARG 105 -2.997 10.366 4.858 794 HB3 ARG 105 2HB ARG 105 -1.639 10.103 5.945 795 HG2 ARG 105 1HG ARG 105 -0.412 11.908 4.782 796 HG3 ARG 105 2HG ARG 105 -1.849 12.208 3.804 797 HD2 ARG 105 1HD ARG 105 -1.642 13.747 5.730 798 HD3 ARG 105 2HD ARG 105 -3.121 12.788 5.764 799 HE ARG 105 HE ARG 105 -0.971 11.615 7.259 800 HH11 ARG 105 1HH1 ARG 105 -3.587 13.910 7.350 801 HH12 ARG 105 2HH1 ARG 105 -3.766 13.835 9.071 802 HH21 ARG 105 1HH2 ARG 105 -1.197 11.508 9.526 803 HH22 ARG 105 2HH2 ARG 105 -2.405 12.469 10.308 804 H PHE 106 H PHE 106 0.002 10.815 2.247 805 HA PHE 106 HA PHE 106 2.625 9.975 3.247 806 HB2 PHE 106 1HB PHE 106 1.841 11.348 0.668 807 HB3 PHE 106 2HB PHE 106 3.487 10.907 1.111 808 HD1 PHE 106 1HD PHE 106 3.294 8.260 2.170 809 HD2 PHE 106 2HD PHE 106 1.145 10.010 -1.061 810 HE1 PHE 106 1HE PHE 106 2.962 6.029 1.186 811 HE2 PHE 106 2HE PHE 106 0.810 7.782 -2.049 812 HZ PHE 106 HZ PHE 106 1.718 5.788 -0.925 813 H LEU 107 H LEU 107 3.850 11.306 4.405 814 HA LEU 107 HA LEU 107 3.026 14.104 4.658 815 HB2 LEU 107 1HB LEU 107 5.056 12.633 6.321 816 HB3 LEU 107 2HB LEU 107 4.257 14.159 6.695 817 HG LEU 107 HG LEU 107 2.613 11.682 6.409 818 HD11 LEU 107 1HD1 LEU 107 4.316 12.411 8.781 819 HD12 LEU 107 2HD1 LEU 107 4.307 10.898 7.876 820 HD13 LEU 107 3HD1 LEU 107 2.921 11.335 8.875 821 HD21 LEU 107 3HD2 LEU 107 2.084 13.562 8.569 822 HD22 LEU 107 1HD2 LEU 107 1.009 12.942 7.316 823 HD23 LEU 107 2HD2 LEU 107 2.061 14.317 6.975 824 HA PRO 108 HA PRO 108 6.427 15.512 2.231 825 HB2 PRO 108 1HB PRO 108 6.505 18.079 3.111 826 HB3 PRO 108 2HB PRO 108 5.256 17.477 2.016 827 HG2 PRO 108 1HG PRO 108 5.140 17.886 4.979 828 HG3 PRO 108 2HG PRO 108 3.926 18.276 3.748 829 HD2 PRO 108 1HD PRO 108 3.767 16.063 5.300 830 HD3 PRO 108 2HD PRO 108 3.162 16.105 3.631 831 H VAL 109 H VAL 109 8.611 15.750 2.417 832 HA VAL 109 HA VAL 109 9.703 15.789 5.153 833 HB VAL 109 HB VAL 109 11.755 14.753 4.047 834 HG11 VAL 109 1HG1 VAL 109 10.794 12.491 4.120 835 HG12 VAL 109 2HG1 VAL 109 10.262 13.482 5.480 836 HG13 VAL 109 3HG1 VAL 109 9.176 13.190 4.121 837 HG21 VAL 109 3HG2 VAL 109 10.500 15.331 1.721 838 HG22 VAL 109 1HG2 VAL 109 11.745 14.094 1.893 839 HG23 VAL 109 2HG2 VAL 109 10.042 13.640 1.929 840 H ILE 110 H ILE 110 9.586 17.439 2.166 841 HA ILE 110 HA ILE 110 11.977 18.709 1.877 842 HB ILE 110 HB ILE 110 9.240 19.959 1.625 843 HG12 ILE 110 1HG1 ILE 110 11.007 18.958 -0.597 844 HG13 ILE 110 2HG1 ILE 110 9.893 17.884 0.241 845 HG21 ILE 110 1HG2 ILE 110 11.802 20.905 0.360 846 HG22 ILE 110 2HG2 ILE 110 10.226 21.695 0.331 847 HG23 ILE 110 3HG2 ILE 110 11.133 21.592 1.840 848 HD11 ILE 110 3HD1 ILE 110 8.857 20.436 -0.877 849 HD12 ILE 110 1HD1 ILE 110 9.200 19.094 -1.968 850 HD13 ILE 110 2HD1 ILE 110 8.044 18.888 -0.651 851 H CYS 111 H CYS 111 9.469 19.436 4.249 852 HA CYS 111 HA CYS 111 11.154 21.540 5.400 853 HB2 CYS 111 1HB CYS 111 8.265 20.793 5.889 854 HB3 CYS 111 2HB CYS 111 9.120 22.046 6.782 855 HG CYS 111 HG CYS 111 9.688 23.455 4.297 856 H LYS 112 H LYS 112 9.224 18.748 6.492 857 HA LYS 112 HA LYS 112 10.789 18.632 8.951 858 HB2 LYS 112 1HB LYS 112 8.329 18.422 9.067 859 HB3 LYS 112 2HB LYS 112 8.417 16.973 8.074 860 HG2 LYS 112 1HG LYS 112 9.494 15.750 9.776 861 HG3 LYS 112 2HG LYS 112 9.831 17.207 10.713 862 HD2 LYS 112 1HD LYS 112 8.021 16.309 11.841 863 HD3 LYS 112 2HD LYS 112 7.243 17.461 10.753 864 HE2 LYS 112 1HE LYS 112 6.557 15.750 9.278 865 HE3 LYS 112 2HE LYS 112 7.621 14.566 10.034 866 HZ1 LYS 112 3HZ LYS 112 5.146 15.745 11.163 867 HZ2 LYS 112 1HZ LYS 112 6.240 14.837 12.080 868 HZ3 LYS 112 2HZ LYS 112 5.434 14.124 10.775 869 H GLU 113 H GLU 113 12.781 17.866 8.264 870 HA GLU 113 HA GLU 113 12.782 15.143 7.138 871 HB2 GLU 113 1HB GLU 113 13.878 17.214 5.911 872 HB3 GLU 113 2HB GLU 113 15.203 16.887 7.019 873 HG2 GLU 113 1HG GLU 113 15.650 14.819 6.086 874 HG3 GLU 113 2HG GLU 113 14.046 14.686 5.366 875 H GLU 114 H GLU 114 14.671 13.803 7.796 876 HA GLU 114 HA GLU 114 15.152 14.154 10.668 877 HB2 GLU 114 1HB GLU 114 14.142 12.047 10.158 878 HB3 GLU 114 2HB GLU 114 15.298 11.736 8.870 879 HG2 GLU 114 1HG GLU 114 16.091 10.395 10.553 880 HG3 GLU 114 2HG GLU 114 17.059 11.852 10.768 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -24.214 -16.672 -1.506 2 HA2 GLY 1 1HA GLY 1 -21.970 -15.852 -0.032 3 HA3 GLY 1 2HA GLY 1 -23.393 -15.646 0.979 4 H SER 2 H SER 2 -21.198 -17.428 1.455 5 HA SER 2 HA SER 2 -22.648 -19.785 2.079 6 HB2 SER 2 1HB SER 2 -22.393 -20.432 -0.198 7 HB3 SER 2 2HB SER 2 -20.711 -19.904 -0.235 8 HG SER 2 HG SER 2 -21.601 -21.957 1.493 9 H SER 3 H SER 3 -21.460 -21.233 3.401 10 HA SER 3 HA SER 3 -18.903 -20.125 4.363 11 HB2 SER 3 1HB SER 3 -21.160 -21.446 5.870 12 HB3 SER 3 2HB SER 3 -19.547 -21.267 6.559 13 HG SER 3 HG SER 3 -21.103 -19.542 7.030 14 H GLY 4 H GLY 4 -17.383 -21.358 3.408 15 HA2 GLY 4 1HA GLY 4 -17.125 -24.094 4.234 16 HA3 GLY 4 2HA GLY 4 -17.520 -23.946 2.528 17 H SER 5 H SER 5 -15.732 -24.321 1.399 18 HA SER 5 HA SER 5 -13.114 -23.826 2.394 19 HB2 SER 5 1HB SER 5 -14.001 -25.503 0.543 20 HB3 SER 5 2HB SER 5 -13.607 -24.163 -0.534 21 HG SER 5 HG SER 5 -11.497 -24.275 0.099 22 H SER 6 H SER 6 -13.142 -21.601 2.942 23 HA SER 6 HA SER 6 -12.927 -19.809 0.612 24 HB2 SER 6 1HB SER 6 -14.150 -19.314 3.322 25 HB3 SER 6 2HB SER 6 -13.617 -17.986 2.291 26 HG SER 6 HG SER 6 -15.831 -18.503 1.980 27 H GLY 7 H GLY 7 -11.609 -17.802 1.134 28 HA2 GLY 7 1HA GLY 7 -9.714 -17.828 3.234 29 HA3 GLY 7 2HA GLY 7 -8.997 -18.528 1.789 30 H LEU 8 H LEU 8 -10.664 -15.643 2.997 31 HA LEU 8 HA LEU 8 -9.539 -14.076 0.799 32 HB2 LEU 8 1HB LEU 8 -11.615 -13.488 2.893 33 HB3 LEU 8 2HB LEU 8 -10.955 -12.241 1.836 34 HG LEU 8 HG LEU 8 -12.254 -14.700 0.710 35 HD11 LEU 8 1HD1 LEU 8 -13.539 -12.705 2.293 36 HD12 LEU 8 2HD1 LEU 8 -14.247 -14.083 1.452 37 HD13 LEU 8 3HD1 LEU 8 -14.064 -12.541 0.617 38 HD21 LEU 8 3HD2 LEU 8 -12.269 -13.571 -1.271 39 HD22 LEU 8 1HD2 LEU 8 -10.832 -12.853 -0.542 40 HD23 LEU 8 2HD2 LEU 8 -12.369 -11.988 -0.498 41 HA PRO 9 HA PRO 9 -6.324 -12.293 3.200 42 HB2 PRO 9 1HB PRO 9 -6.165 -9.822 2.085 43 HB3 PRO 9 2HB PRO 9 -5.608 -11.285 1.264 44 HG2 PRO 9 1HG PRO 9 -8.181 -9.791 0.935 45 HG3 PRO 9 2HG PRO 9 -7.127 -10.491 -0.308 46 HD2 PRO 9 1HD PRO 9 -9.389 -11.714 0.541 47 HD3 PRO 9 2HD PRO 9 -7.957 -12.618 0.007 48 H GLN 10 H GLN 10 -6.116 -11.253 5.104 49 HA GLN 10 HA GLN 10 -8.177 -9.287 5.847 50 HB2 GLN 10 1HB GLN 10 -8.657 -11.422 6.950 51 HB3 GLN 10 2HB GLN 10 -7.029 -11.455 7.615 52 HG2 GLN 10 1HG GLN 10 -8.321 -10.707 9.382 53 HG3 GLN 10 2HG GLN 10 -7.648 -9.222 8.712 54 HE21 GLN 10 1HE2 GLN 10 -9.028 -7.630 8.454 55 HE22 GLN 10 2HE2 GLN 10 -10.734 -7.781 8.235 56 H VAL 11 H VAL 11 -7.493 -7.502 6.938 57 HA VAL 11 HA VAL 11 -4.623 -7.350 7.592 58 HB VAL 11 HB VAL 11 -6.313 -5.152 6.391 59 HG11 VAL 11 1HG1 VAL 11 -3.418 -4.794 6.488 60 HG12 VAL 11 2HG1 VAL 11 -4.715 -3.671 6.899 61 HG13 VAL 11 3HG1 VAL 11 -4.174 -4.864 8.080 62 HG21 VAL 11 3HG2 VAL 11 -5.156 -7.256 5.082 63 HG22 VAL 11 1HG2 VAL 11 -5.516 -5.685 4.366 64 HG23 VAL 11 2HG2 VAL 11 -3.900 -6.023 4.986 65 H GLU 12 H GLU 12 -4.937 -7.701 9.785 66 HA GLU 12 HA GLU 12 -6.881 -6.495 11.390 67 HB2 GLU 12 1HB GLU 12 -5.212 -8.419 11.912 68 HB3 GLU 12 2HB GLU 12 -4.136 -7.128 12.427 69 HG2 GLU 12 1HG GLU 12 -5.851 -6.368 14.020 70 HG3 GLU 12 2HG GLU 12 -6.870 -7.722 13.536 71 H ALA 13 H ALA 13 -3.524 -5.502 10.758 72 HA ALA 13 HA ALA 13 -4.230 -2.728 11.045 73 HB1 ALA 13 3HB ALA 13 -2.301 -3.910 13.037 74 HB2 ALA 13 1HB ALA 13 -2.763 -2.214 12.895 75 HB3 ALA 13 2HB ALA 13 -3.954 -3.415 13.398 76 H TYR 14 H TYR 14 -2.014 -1.410 11.071 77 HA TYR 14 HA TYR 14 0.082 -2.702 9.548 78 HB2 TYR 14 1HB TYR 14 -0.056 -0.990 7.713 79 HB3 TYR 14 2HB TYR 14 -1.381 -2.149 7.731 80 HD1 TYR 14 1HD TYR 14 -0.609 1.167 9.291 81 HD2 TYR 14 2HD TYR 14 -3.461 -1.274 7.289 82 HE1 TYR 14 1HE TYR 14 -2.222 3.023 9.339 83 HE2 TYR 14 2HE TYR 14 -5.081 0.575 7.330 84 HH TYR 14 HH TYR 14 -4.206 3.768 8.148 85 H SER 15 H SER 15 1.975 -1.367 9.301 86 HA SER 15 HA SER 15 2.092 1.210 10.565 87 HB2 SER 15 1HB SER 15 3.082 -1.241 11.977 88 HB3 SER 15 2HB SER 15 3.954 0.279 12.174 89 HG SER 15 HG SER 15 1.166 0.237 12.494 90 HA PRO 16 HA PRO 16 3.790 2.485 11.429 91 HB2 PRO 16 1HB PRO 16 4.552 4.771 10.178 92 HB3 PRO 16 2HB PRO 16 5.683 3.733 11.055 93 HG2 PRO 16 1HG PRO 16 5.153 3.895 8.113 94 HG3 PRO 16 2HG PRO 16 6.703 3.768 8.966 95 HD2 PRO 16 1HD PRO 16 5.502 1.638 7.803 96 HD3 PRO 16 2HD PRO 16 6.494 1.493 9.267 97 H SER 17 H SER 17 1.941 3.655 11.693 98 HA SER 17 HA SER 17 -0.229 3.368 10.088 99 HB2 SER 17 1HB SER 17 -0.049 4.425 12.439 100 HB3 SER 17 2HB SER 17 0.177 5.950 11.583 101 HG SER 17 HG SER 17 -2.070 5.164 12.204 102 H ALA 18 H ALA 18 2.365 5.658 9.699 103 HA ALA 18 HA ALA 18 1.217 6.459 7.123 104 HB1 ALA 18 3HB ALA 18 1.354 8.155 9.384 105 HB2 ALA 18 1HB ALA 18 2.551 8.721 8.218 106 HB3 ALA 18 2HB ALA 18 0.861 8.558 7.739 107 H CYS 19 H CYS 19 2.891 7.678 5.793 108 HA CYS 19 HA CYS 19 5.650 7.026 6.421 109 HB2 CYS 19 1HB CYS 19 4.070 5.690 4.269 110 HB3 CYS 19 2HB CYS 19 5.758 6.072 3.951 111 HG CYS 19 HG CYS 19 6.856 4.314 5.577 112 H SER 20 H SER 20 7.028 7.688 4.346 113 HA SER 20 HA SER 20 6.334 10.465 3.873 114 HB2 SER 20 1HB SER 20 8.600 10.643 2.928 115 HB3 SER 20 2HB SER 20 8.634 9.894 4.524 116 HG SER 20 HG SER 20 9.301 8.080 3.666 117 H VAL 21 H VAL 21 6.532 11.413 1.709 118 HA VAL 21 HA VAL 21 4.912 10.054 -0.169 119 HB VAL 21 HB VAL 21 5.469 11.936 -1.702 120 HG11 VAL 21 1HG1 VAL 21 4.642 12.615 1.115 121 HG12 VAL 21 2HG1 VAL 21 4.480 13.716 -0.254 122 HG13 VAL 21 3HG1 VAL 21 3.595 12.190 -0.239 123 HG21 VAL 21 3HG2 VAL 21 7.304 13.156 -1.422 124 HG22 VAL 21 1HG2 VAL 21 6.776 13.630 0.192 125 HG23 VAL 21 2HG2 VAL 21 7.728 12.162 -0.028 126 H ARG 22 H ARG 22 8.288 10.040 0.409 127 HA ARG 22 HA ARG 22 9.011 9.206 -2.267 128 HB2 ARG 22 1HB ARG 22 11.282 8.994 -1.348 129 HB3 ARG 22 2HB ARG 22 10.578 10.566 -0.991 130 HG2 ARG 22 1HG ARG 22 10.439 10.152 1.250 131 HG3 ARG 22 2HG ARG 22 10.300 8.406 1.030 132 HD2 ARG 22 1HD ARG 22 12.435 8.724 1.943 133 HD3 ARG 22 2HD ARG 22 12.715 8.487 0.218 134 HE ARG 22 HE ARG 22 12.457 11.235 0.740 135 HH11 ARG 22 1HH1 ARG 22 14.644 8.587 1.311 136 HH12 ARG 22 2HH1 ARG 22 16.053 9.593 1.368 137 HH21 ARG 22 1HH2 ARG 22 14.305 12.570 0.812 138 HH22 ARG 22 2HH2 ARG 22 15.859 11.858 1.084 139 H GLY 23 H GLY 23 7.358 7.685 0.016 140 HA2 GLY 23 1HA GLY 23 7.184 5.504 0.786 141 HA3 GLY 23 2HA GLY 23 7.394 5.166 -0.926 142 H GLY 24 H GLY 24 8.921 3.725 -1.345 143 HA2 GLY 24 1HA GLY 24 10.673 2.270 -0.914 144 HA3 GLY 24 2HA GLY 24 11.558 3.785 -0.813 145 H GLU 25 H GLU 25 9.107 2.527 1.412 146 HA GLU 25 HA GLU 25 11.195 2.362 3.484 147 HB2 GLU 25 1HB GLU 25 8.455 3.584 3.605 148 HB3 GLU 25 2HB GLU 25 9.226 2.977 5.063 149 HG2 GLU 25 1HG GLU 25 10.726 4.857 3.310 150 HG3 GLU 25 2HG GLU 25 9.458 5.482 4.363 151 H GLU 26 H GLU 26 10.416 1.042 5.416 152 HA GLU 26 HA GLU 26 9.424 -1.488 4.393 153 HB2 GLU 26 1HB GLU 26 11.440 -1.296 5.898 154 HB3 GLU 26 2HB GLU 26 10.343 -0.850 7.197 155 HG2 GLU 26 1HG GLU 26 9.166 -3.018 6.852 156 HG3 GLU 26 2HG GLU 26 10.430 -3.459 5.706 157 H LEU 27 H LEU 27 7.343 -1.981 4.447 158 HA LEU 27 HA LEU 27 5.669 -0.808 6.569 159 HB2 LEU 27 1HB LEU 27 5.089 0.027 4.359 160 HB3 LEU 27 2HB LEU 27 4.902 -1.623 3.769 161 HG LEU 27 HG LEU 27 2.998 -1.909 5.344 162 HD11 LEU 27 1HD1 LEU 27 2.092 -0.128 6.556 163 HD12 LEU 27 2HD1 LEU 27 3.053 1.070 5.691 164 HD13 LEU 27 3HD1 LEU 27 3.828 -0.014 6.845 165 HD21 LEU 27 3HD2 LEU 27 2.854 0.292 3.293 166 HD22 LEU 27 1HD2 LEU 27 1.440 -0.427 4.064 167 HD23 LEU 27 2HD2 LEU 27 2.500 -1.421 3.064 168 H VAL 28 H VAL 28 5.472 -2.344 8.085 169 HA VAL 28 HA VAL 28 5.167 -5.138 7.322 170 HB VAL 28 HB VAL 28 5.329 -3.861 10.056 171 HG11 VAL 28 1HG1 VAL 28 5.480 -6.783 9.328 172 HG12 VAL 28 2HG1 VAL 28 5.538 -6.084 10.947 173 HG13 VAL 28 3HG1 VAL 28 4.054 -5.993 9.998 174 HG21 VAL 28 3HG2 VAL 28 7.529 -3.831 9.752 175 HG22 VAL 28 1HG2 VAL 28 7.512 -5.576 9.495 176 HG23 VAL 28 2HG2 VAL 28 7.328 -4.481 8.125 177 H LEU 29 H LEU 29 3.167 -5.629 6.641 178 HA LEU 29 HA LEU 29 0.835 -4.437 7.891 179 HB2 LEU 29 1HB LEU 29 1.038 -6.474 5.678 180 HB3 LEU 29 2HB LEU 29 -0.434 -5.654 6.194 181 HG LEU 29 HG LEU 29 1.953 -4.215 5.047 182 HD11 LEU 29 1HD1 LEU 29 -0.566 -4.856 3.550 183 HD12 LEU 29 2HD1 LEU 29 0.837 -5.924 3.510 184 HD13 LEU 29 3HD1 LEU 29 0.974 -4.265 2.926 185 HD21 LEU 29 3HD2 LEU 29 0.063 -2.537 4.573 186 HD22 LEU 29 1HD2 LEU 29 0.668 -2.670 6.224 187 HD23 LEU 29 2HD2 LEU 29 -0.852 -3.446 5.777 188 H THR 30 H THR 30 -0.609 -5.461 9.193 189 HA THR 30 HA THR 30 0.135 -8.165 10.093 190 HB THR 30 HB THR 30 -1.481 -6.117 11.620 191 HG1 THR 30 1HG THR 30 1.282 -6.633 11.483 192 HG21 THR 30 3HG2 THR 30 -0.519 -7.755 13.490 193 HG22 THR 30 1HG2 THR 30 -0.569 -8.894 12.146 194 HG23 THR 30 2HG2 THR 30 -2.042 -8.070 12.659 195 H GLY 31 H GLY 31 -1.332 -9.789 10.048 196 HA2 GLY 31 1HA GLY 31 -4.093 -9.603 10.116 197 HA3 GLY 31 2HA GLY 31 -3.647 -9.493 8.419 198 H SER 32 H SER 32 -4.698 -11.453 7.957 199 HA SER 32 HA SER 32 -3.046 -13.783 8.432 200 HB2 SER 32 1HB SER 32 -4.753 -13.591 10.351 201 HB3 SER 32 2HB SER 32 -5.968 -13.998 9.140 202 HG SER 32 HG SER 32 -5.389 -15.942 9.850 203 H ASN 33 H ASN 33 -3.962 -15.721 7.231 204 HA ASN 33 HA ASN 33 -4.618 -16.677 5.275 205 HB2 ASN 33 1HB ASN 33 -6.649 -14.518 5.649 206 HB3 ASN 33 2HB ASN 33 -6.595 -15.360 4.103 207 HD21 ASN 33 1HD2 ASN 33 -8.805 -15.480 5.718 208 HD22 ASN 33 2HD2 ASN 33 -8.976 -17.081 6.345 209 H PHE 34 H PHE 34 -2.432 -14.853 5.251 210 HA PHE 34 HA PHE 34 -2.662 -13.272 2.838 211 HB2 PHE 34 1HB PHE 34 -0.412 -13.781 4.779 212 HB3 PHE 34 2HB PHE 34 -0.179 -12.867 3.292 213 HD1 PHE 34 1HD PHE 34 -2.519 -11.224 3.073 214 HD2 PHE 34 2HD PHE 34 -0.330 -12.326 6.553 215 HE1 PHE 34 1HE PHE 34 -3.298 -9.182 4.205 216 HE2 PHE 34 2HE PHE 34 -1.106 -10.287 7.691 217 HZ PHE 34 HZ PHE 34 -2.592 -8.713 6.518 218 H LEU 35 H LEU 35 -0.762 -13.483 1.233 219 HA LEU 35 HA LEU 35 -0.101 -16.300 0.745 220 HB2 LEU 35 1HB LEU 35 -1.389 -14.389 -1.186 221 HB3 LEU 35 2HB LEU 35 -0.545 -15.846 -1.708 222 HG LEU 35 HG LEU 35 -2.797 -16.038 0.254 223 HD11 LEU 35 1HD1 LEU 35 -3.156 -14.796 -2.168 224 HD12 LEU 35 2HD1 LEU 35 -4.404 -15.621 -1.234 225 HD13 LEU 35 3HD1 LEU 35 -3.556 -16.477 -2.522 226 HD21 LEU 35 3HD2 LEU 35 -2.788 -18.249 -0.256 227 HD22 LEU 35 1HD2 LEU 35 -1.103 -17.895 -0.637 228 HD23 LEU 35 2HD2 LEU 35 -2.300 -17.977 -1.929 229 HA PRO 36 HA PRO 36 3.927 -14.775 -0.130 230 HB2 PRO 36 1HB PRO 36 4.824 -16.723 -1.794 231 HB3 PRO 36 2HB PRO 36 4.622 -16.964 -0.054 232 HG2 PRO 36 1HG PRO 36 2.807 -17.755 -2.299 233 HG3 PRO 36 2HG PRO 36 3.275 -18.679 -0.860 234 HD2 PRO 36 1HD PRO 36 0.904 -17.385 -1.053 235 HD3 PRO 36 2HD PRO 36 1.760 -17.585 0.490 236 H ASP 37 H ASP 37 1.667 -15.406 -2.696 237 HA ASP 37 HA ASP 37 3.288 -13.821 -4.568 238 HB2 ASP 37 1HB ASP 37 1.868 -14.741 -6.337 239 HB3 ASP 37 2HB ASP 37 2.587 -16.034 -5.381 240 H SER 38 H SER 38 1.102 -13.233 -2.306 241 HA SER 38 HA SER 38 -1.086 -11.967 -3.294 242 HB2 SER 38 1HB SER 38 0.712 -11.281 -0.986 243 HB3 SER 38 2HB SER 38 -0.675 -10.261 -1.368 244 HG SER 38 HG SER 38 -1.984 -12.151 -1.180 245 H LYS 39 H LYS 39 -1.520 -9.602 -3.536 246 HA LYS 39 HA LYS 39 0.725 -8.170 -4.782 247 HB2 LYS 39 1HB LYS 39 -2.032 -8.586 -5.939 248 HB3 LYS 39 2HB LYS 39 -0.924 -7.349 -6.518 249 HG2 LYS 39 1HG LYS 39 0.692 -9.058 -7.133 250 HG3 LYS 39 2HG LYS 39 -0.384 -10.312 -6.513 251 HD2 LYS 39 1HD LYS 39 -1.369 -8.405 -8.594 252 HD3 LYS 39 2HD LYS 39 -0.347 -9.765 -9.065 253 HE2 LYS 39 1HE LYS 39 -1.970 -11.238 -7.787 254 HE3 LYS 39 2HE LYS 39 -3.036 -9.835 -7.717 255 HZ1 LYS 39 3HZ LYS 39 -3.025 -9.761 -10.138 256 HZ2 LYS 39 1HZ LYS 39 -3.590 -11.255 -9.581 257 HZ3 LYS 39 2HZ LYS 39 -2.020 -11.120 -10.194 258 H VAL 40 H VAL 40 0.846 -6.045 -4.306 259 HA VAL 40 HA VAL 40 -1.429 -4.831 -2.878 260 HB VAL 40 HB VAL 40 1.497 -4.408 -2.254 261 HG11 VAL 40 1HG1 VAL 40 -0.552 -3.480 -0.371 262 HG12 VAL 40 2HG1 VAL 40 0.935 -2.698 -0.910 263 HG13 VAL 40 3HG1 VAL 40 -0.517 -2.617 -1.908 264 HG21 VAL 40 3HG2 VAL 40 -0.269 -6.457 -1.431 265 HG22 VAL 40 1HG2 VAL 40 1.363 -6.124 -0.852 266 HG23 VAL 40 2HG2 VAL 40 -0.024 -5.388 -0.050 267 H VAL 41 H VAL 41 -2.242 -3.267 -4.100 268 HA VAL 41 HA VAL 41 -0.376 -1.531 -5.583 269 HB VAL 41 HB VAL 41 -1.829 -1.356 -7.391 270 HG11 VAL 41 1HG1 VAL 41 -2.622 -4.142 -6.802 271 HG12 VAL 41 2HG1 VAL 41 -1.814 -3.464 -8.218 272 HG13 VAL 41 3HG1 VAL 41 -0.897 -3.782 -6.745 273 HG21 VAL 41 3HG2 VAL 41 -4.177 -2.129 -7.352 274 HG22 VAL 41 1HG2 VAL 41 -3.994 -2.516 -5.641 275 HG23 VAL 41 2HG2 VAL 41 -3.861 -0.844 -6.186 276 H PHE 42 H PHE 42 -0.841 0.679 -5.664 277 HA PHE 42 HA PHE 42 -2.646 1.595 -3.537 278 HB2 PHE 42 1HB PHE 42 -0.172 2.763 -4.779 279 HB3 PHE 42 2HB PHE 42 -1.304 3.788 -3.902 280 HD1 PHE 42 2HD PHE 42 0.273 0.440 -3.386 281 HD2 PHE 42 1HD PHE 42 -0.681 4.254 -1.755 282 HE1 PHE 42 2HE PHE 42 1.341 -0.203 -1.265 283 HE2 PHE 42 1HE PHE 42 0.387 3.617 0.368 284 HZ PHE 42 HZ PHE 42 1.399 1.385 0.616 285 H ILE 43 H ILE 43 -3.748 3.698 -3.920 286 HA ILE 43 HA ILE 43 -4.377 4.206 -6.736 287 HB ILE 43 HB ILE 43 -6.777 4.288 -6.282 288 HG12 ILE 43 1HG1 ILE 43 -6.171 3.064 -3.588 289 HG13 ILE 43 2HG1 ILE 43 -6.469 4.784 -3.812 290 HG21 ILE 43 1HG2 ILE 43 -6.373 2.244 -7.178 291 HG22 ILE 43 2HG2 ILE 43 -5.204 1.806 -5.934 292 HG23 ILE 43 3HG2 ILE 43 -6.931 1.716 -5.591 293 HD11 ILE 43 3HD1 ILE 43 -8.681 4.163 -4.814 294 HD12 ILE 43 1HD1 ILE 43 -8.371 2.510 -4.283 295 HD13 ILE 43 2HD1 ILE 43 -8.497 3.809 -3.097 296 H GLU 44 H GLU 44 -5.059 6.299 -7.195 297 HA GLU 44 HA GLU 44 -5.031 8.197 -4.946 298 HB2 GLU 44 1HB GLU 44 -2.887 8.431 -5.970 299 HB3 GLU 44 2HB GLU 44 -3.585 8.425 -7.584 300 HG2 GLU 44 1HG GLU 44 -4.811 10.561 -6.804 301 HG3 GLU 44 2HG GLU 44 -3.587 10.600 -5.537 302 H ARG 45 H ARG 45 -6.704 9.554 -4.903 303 HA ARG 45 HA ARG 45 -8.610 9.481 -7.099 304 HB2 ARG 45 1HB ARG 45 -8.769 10.730 -4.351 305 HB3 ARG 45 2HB ARG 45 -10.075 10.741 -5.528 306 HG2 ARG 45 1HG ARG 45 -10.702 8.947 -4.287 307 HG3 ARG 45 2HG ARG 45 -9.675 8.131 -5.467 308 HD2 ARG 45 1HD ARG 45 -7.929 7.875 -3.960 309 HD3 ARG 45 2HD ARG 45 -8.511 9.172 -2.916 310 HE ARG 45 HE ARG 45 -9.211 6.418 -2.768 311 HH11 ARG 45 1HH1 ARG 45 -10.444 9.636 -2.278 312 HH12 ARG 45 2HH1 ARG 45 -11.613 9.149 -1.096 313 HH21 ARG 45 1HH2 ARG 45 -10.746 5.764 -1.213 314 HH22 ARG 45 2HH2 ARG 45 -11.784 6.946 -0.490 315 H GLY 46 H GLY 46 -9.048 11.134 -8.455 316 HA2 GLY 46 1HA GLY 46 -7.405 13.562 -8.142 317 HA3 GLY 46 2HA GLY 46 -7.998 12.937 -9.673 318 HA PRO 47 HA PRO 47 -10.838 16.257 -7.784 319 HB2 PRO 47 1HB PRO 47 -10.172 18.320 -9.419 320 HB3 PRO 47 2HB PRO 47 -9.364 18.017 -7.876 321 HG2 PRO 47 1HG PRO 47 -8.483 17.305 -10.647 322 HG3 PRO 47 2HG PRO 47 -7.532 17.974 -9.308 323 HD2 PRO 47 1HD PRO 47 -7.485 15.346 -9.957 324 HD3 PRO 47 2HD PRO 47 -7.288 15.921 -8.289 325 H ASP 48 H ASP 48 -10.050 14.939 -10.856 326 HA ASP 48 HA ASP 48 -12.115 16.083 -12.413 327 HB2 ASP 48 1HB ASP 48 -10.750 13.403 -12.755 328 HB3 ASP 48 2HB ASP 48 -11.684 14.251 -13.983 329 H GLY 49 H GLY 49 -11.958 13.232 -10.347 330 HA2 GLY 49 1HA GLY 49 -14.242 12.878 -9.258 331 HA3 GLY 49 2HA GLY 49 -14.806 12.719 -10.915 332 H LYS 50 H LYS 50 -12.166 11.362 -11.564 333 HA LYS 50 HA LYS 50 -12.843 8.732 -10.417 334 HB2 LYS 50 1HB LYS 50 -11.947 7.773 -12.553 335 HB3 LYS 50 2HB LYS 50 -13.425 8.709 -12.738 336 HG2 LYS 50 1HG LYS 50 -12.232 10.559 -13.647 337 HG3 LYS 50 2HG LYS 50 -10.677 9.821 -13.252 338 HD2 LYS 50 1HD LYS 50 -10.902 8.188 -14.918 339 HD3 LYS 50 2HD LYS 50 -12.638 8.467 -15.079 340 HE2 LYS 50 1HE LYS 50 -11.733 9.487 -16.970 341 HE3 LYS 50 2HE LYS 50 -11.984 10.826 -15.850 342 HZ1 LYS 50 3HZ LYS 50 -9.392 9.417 -16.156 343 HZ2 LYS 50 1HZ LYS 50 -9.687 10.857 -15.318 344 HZ3 LYS 50 2HZ LYS 50 -9.794 10.823 -17.006 345 H LEU 51 H LEU 51 -11.111 7.273 -10.034 346 HA LEU 51 HA LEU 51 -8.577 8.645 -9.495 347 HB2 LEU 51 1HB LEU 51 -8.139 6.533 -8.129 348 HB3 LEU 51 2HB LEU 51 -9.347 7.667 -7.531 349 HG LEU 51 HG LEU 51 -11.115 6.190 -8.465 350 HD11 LEU 51 1HD1 LEU 51 -10.363 4.828 -10.092 351 HD12 LEU 51 2HD1 LEU 51 -10.026 3.744 -8.743 352 HD13 LEU 51 3HD1 LEU 51 -8.736 4.739 -9.417 353 HD21 LEU 51 3HD2 LEU 51 -9.226 5.367 -6.323 354 HD22 LEU 51 1HD2 LEU 51 -10.486 4.233 -6.808 355 HD23 LEU 51 2HD2 LEU 51 -10.923 5.837 -6.218 356 H GLN 52 H GLN 52 -6.651 7.963 -10.322 357 HA GLN 52 HA GLN 52 -6.484 5.489 -11.822 358 HB2 GLN 52 1HB GLN 52 -5.603 6.678 -13.852 359 HB3 GLN 52 2HB GLN 52 -7.324 6.890 -13.562 360 HG2 GLN 52 1HG GLN 52 -6.759 9.073 -12.454 361 HG3 GLN 52 2HG GLN 52 -5.117 8.863 -13.060 362 HE21 GLN 52 1HE2 GLN 52 -7.605 10.651 -13.625 363 HE22 GLN 52 2HE2 GLN 52 -7.630 10.721 -15.351 364 H TRP 53 H TRP 53 -4.763 4.672 -10.799 365 HA TRP 53 HA TRP 53 -2.226 6.053 -11.056 366 HB2 TRP 53 1HB TRP 53 -3.263 6.784 -8.854 367 HB3 TRP 53 2HB TRP 53 -3.096 5.114 -8.321 368 HD1 TRP 53 HD TRP 53 -0.297 6.559 -10.436 369 HE1 TRP 53 1HE TRP 53 1.788 6.884 -8.964 370 HE3 TRP 53 3HE TRP 53 -2.383 5.637 -5.861 371 HZ2 TRP 53 2HZ TRP 53 2.461 6.765 -6.225 372 HZ3 TRP 53 3HZ TRP 53 -0.949 5.763 -3.865 373 HH2 TRP 53 HH TRP 53 1.422 6.314 -4.045 374 H GLU 54 H GLU 54 -0.772 4.620 -11.713 375 HA GLU 54 HA GLU 54 -1.189 1.786 -11.020 376 HB2 GLU 54 1HB GLU 54 -1.396 2.441 -13.457 377 HB3 GLU 54 2HB GLU 54 0.317 2.831 -13.418 378 HG2 GLU 54 1HG GLU 54 0.880 0.552 -12.911 379 HG3 GLU 54 2HG GLU 54 -0.824 0.126 -12.764 380 H GLU 55 H GLU 55 0.076 1.551 -9.241 381 HA GLU 55 HA GLU 55 2.953 1.769 -9.659 382 HB2 GLU 55 1HB GLU 55 1.391 3.320 -7.646 383 HB3 GLU 55 2HB GLU 55 2.967 2.701 -7.174 384 HG2 GLU 55 1HG GLU 55 2.559 4.332 -9.658 385 HG3 GLU 55 2HG GLU 55 2.885 5.059 -8.085 386 H GLU 56 H GLU 56 3.879 -0.064 -9.045 387 HA GLU 56 HA GLU 56 2.449 -1.794 -7.149 388 HB2 GLU 56 1HB GLU 56 3.213 -2.485 -9.582 389 HB3 GLU 56 2HB GLU 56 4.755 -2.761 -8.783 390 HG2 GLU 56 1HG GLU 56 3.515 -4.218 -7.147 391 HG3 GLU 56 2HG GLU 56 2.123 -4.092 -8.220 392 H ALA 57 H ALA 57 3.497 -2.712 -5.392 393 HA ALA 57 HA ALA 57 5.986 -1.358 -4.607 394 HB1 ALA 57 3HB ALA 57 5.365 -1.901 -2.302 395 HB2 ALA 57 1HB ALA 57 4.102 -0.975 -3.113 396 HB3 ALA 57 2HB ALA 57 3.913 -2.714 -2.886 397 H THR 58 H THR 58 7.710 -2.524 -3.734 398 HA THR 58 HA THR 58 8.073 -5.139 -4.821 399 HB THR 58 HB THR 58 9.832 -3.689 -2.834 400 HG1 THR 58 1HG THR 58 10.585 -2.575 -4.484 401 HG21 THR 58 3HG2 THR 58 11.066 -5.467 -4.793 402 HG22 THR 58 1HG2 THR 58 9.973 -6.302 -3.690 403 HG23 THR 58 2HG2 THR 58 11.318 -5.355 -3.051 404 H VAL 59 H VAL 59 7.535 -7.019 -3.941 405 HA VAL 59 HA VAL 59 6.905 -7.103 -1.071 406 HB VAL 59 HB VAL 59 5.949 -8.730 -3.405 407 HG11 VAL 59 1HG1 VAL 59 4.823 -10.227 -1.765 408 HG12 VAL 59 2HG1 VAL 59 6.580 -10.391 -1.791 409 HG13 VAL 59 3HG1 VAL 59 5.796 -9.491 -0.492 410 HG21 VAL 59 3HG2 VAL 59 3.974 -7.729 -3.048 411 HG22 VAL 59 1HG2 VAL 59 4.098 -7.899 -1.297 412 HG23 VAL 59 2HG2 VAL 59 4.907 -6.561 -2.112 413 H ASN 60 H ASN 60 8.030 -8.358 0.294 414 HA ASN 60 HA ASN 60 10.111 -10.094 -0.861 415 HB2 ASN 60 1HB ASN 60 10.709 -8.000 0.583 416 HB3 ASN 60 2HB ASN 60 10.243 -9.023 1.939 417 HD21 ASN 60 1HD2 ASN 60 12.080 -9.575 2.886 418 HD22 ASN 60 2HD2 ASN 60 13.447 -10.277 2.096 419 H ARG 61 H ARG 61 8.708 -11.899 -0.968 420 HA ARG 61 HA ARG 61 7.166 -12.895 1.136 421 HB2 ARG 61 1HB ARG 61 7.124 -14.987 -0.070 422 HB3 ARG 61 2HB ARG 61 7.019 -13.660 -1.220 423 HG2 ARG 61 1HG ARG 61 9.574 -15.106 -0.565 424 HG3 ARG 61 2HG ARG 61 8.513 -15.532 -1.909 425 HD2 ARG 61 1HD ARG 61 8.754 -13.045 -2.574 426 HD3 ARG 61 2HD ARG 61 10.155 -13.060 -1.505 427 HE ARG 61 HE ARG 61 10.449 -15.223 -3.195 428 HH11 ARG 61 1HH1 ARG 61 10.207 -11.763 -3.496 429 HH12 ARG 61 2HH1 ARG 61 11.179 -11.689 -4.929 430 HH21 ARG 61 1HH2 ARG 61 11.729 -15.139 -5.081 431 HH22 ARG 61 2HH2 ARG 61 12.043 -13.610 -5.830 432 H LEU 62 H LEU 62 10.573 -12.927 0.645 433 HA LEU 62 HA LEU 62 11.361 -15.171 2.081 434 HB2 LEU 62 1HB LEU 62 12.655 -12.472 1.776 435 HB3 LEU 62 2HB LEU 62 13.440 -13.829 2.581 436 HG LEU 62 HG LEU 62 14.197 -13.500 0.253 437 HD11 LEU 62 1HD1 LEU 62 14.341 -15.750 -0.221 438 HD12 LEU 62 2HD1 LEU 62 12.696 -16.081 0.322 439 HD13 LEU 62 3HD1 LEU 62 13.969 -15.769 1.503 440 HD21 LEU 62 3HD2 LEU 62 11.991 -12.693 -0.596 441 HD22 LEU 62 1HD2 LEU 62 11.418 -14.360 -0.532 442 HD23 LEU 62 2HD2 LEU 62 12.752 -13.928 -1.601 443 H GLN 63 H GLN 63 10.282 -12.031 3.202 444 HA GLN 63 HA GLN 63 10.741 -12.855 5.982 445 HB2 GLN 63 1HB GLN 63 10.266 -10.164 4.714 446 HB3 GLN 63 2HB GLN 63 10.171 -10.411 6.453 447 HG2 GLN 63 1HG GLN 63 12.507 -11.282 6.379 448 HG3 GLN 63 2HG GLN 63 12.571 -10.800 4.685 449 HE21 GLN 63 1HE2 GLN 63 14.417 -9.549 5.598 450 HE22 GLN 63 2HE2 GLN 63 14.084 -7.966 6.205 451 H SER 64 H SER 64 8.253 -11.690 3.766 452 HA SER 64 HA SER 64 6.120 -11.370 5.472 453 HB2 SER 64 1HB SER 64 4.781 -11.379 3.598 454 HB3 SER 64 2HB SER 64 6.356 -11.166 2.833 455 HG SER 64 HG SER 64 4.615 -13.265 2.691 456 H ASN 65 H ASN 65 4.628 -12.674 6.445 457 HA ASN 65 HA ASN 65 5.156 -15.571 6.329 458 HB2 ASN 65 1HB ASN 65 3.850 -14.283 8.698 459 HB3 ASN 65 2HB ASN 65 4.792 -15.769 8.616 460 HD21 ASN 65 1HD2 ASN 65 4.888 -13.021 10.073 461 HD22 ASN 65 2HD2 ASN 65 6.566 -12.617 9.998 462 H GLU 66 H GLU 66 3.113 -16.766 7.324 463 HA GLU 66 HA GLU 66 1.036 -16.455 5.447 464 HB2 GLU 66 1HB GLU 66 0.071 -18.323 6.407 465 HB3 GLU 66 2HB GLU 66 1.754 -18.520 6.878 466 HG2 GLU 66 1HG GLU 66 1.118 -17.348 9.043 467 HG3 GLU 66 2HG GLU 66 -0.556 -17.607 8.556 468 H VAL 67 H VAL 67 1.681 -14.840 8.366 469 HA VAL 67 HA VAL 67 -1.030 -13.688 8.345 470 HB VAL 67 HB VAL 67 -0.736 -13.316 10.825 471 HG11 VAL 67 1HG1 VAL 67 -1.599 -15.591 9.391 472 HG12 VAL 67 2HG1 VAL 67 -0.783 -16.169 10.846 473 HG13 VAL 67 3HG1 VAL 67 -2.129 -15.037 10.979 474 HG21 VAL 67 3HG2 VAL 67 1.042 -14.080 11.967 475 HG22 VAL 67 1HG2 VAL 67 1.119 -15.576 11.037 476 HG23 VAL 67 2HG2 VAL 67 1.836 -14.099 10.392 477 H THR 68 H THR 68 1.969 -13.039 7.514 478 HA THR 68 HA THR 68 1.736 -10.207 8.244 479 HB THR 68 HB THR 68 4.337 -11.745 8.377 480 HG1 THR 68 1HG THR 68 2.619 -10.745 10.418 481 HG21 THR 68 3HG2 THR 68 4.682 -9.368 9.695 482 HG22 THR 68 1HG2 THR 68 3.652 -8.898 8.343 483 HG23 THR 68 2HG2 THR 68 5.196 -9.696 8.041 484 H LEU 69 H LEU 69 2.487 -8.762 6.712 485 HA LEU 69 HA LEU 69 3.547 -9.902 4.218 486 HB2 LEU 69 1HB LEU 69 1.136 -8.217 4.632 487 HB3 LEU 69 2HB LEU 69 2.112 -7.920 3.195 488 HG LEU 69 HG LEU 69 0.623 -10.429 3.937 489 HD11 LEU 69 1HD1 LEU 69 -0.949 -9.491 2.683 490 HD12 LEU 69 2HD1 LEU 69 0.136 -9.657 1.303 491 HD13 LEU 69 3HD1 LEU 69 0.118 -8.160 2.235 492 HD21 LEU 69 3HD2 LEU 69 2.946 -10.037 2.148 493 HD22 LEU 69 1HD2 LEU 69 1.612 -11.006 1.520 494 HD23 LEU 69 2HD2 LEU 69 2.412 -11.474 3.021 495 H THR 70 H THR 70 5.541 -9.103 4.076 496 HA THR 70 HA THR 70 6.030 -6.323 4.883 497 HB THR 70 HB THR 70 8.052 -8.489 4.278 498 HG1 THR 70 1HG THR 70 6.667 -8.744 6.219 499 HG21 THR 70 3HG2 THR 70 8.304 -5.704 5.405 500 HG22 THR 70 1HG2 THR 70 9.048 -6.348 3.942 501 HG23 THR 70 2HG2 THR 70 9.577 -6.919 5.525 502 H LEU 71 H LEU 71 6.155 -4.819 3.362 503 HA LEU 71 HA LEU 71 7.370 -5.453 0.788 504 HB2 LEU 71 1HB LEU 71 5.589 -4.668 -0.524 505 HB3 LEU 71 2HB LEU 71 4.870 -5.773 0.646 506 HG LEU 71 HG LEU 71 4.873 -2.825 1.166 507 HD11 LEU 71 1HD1 LEU 71 3.439 -2.362 -0.459 508 HD12 LEU 71 2HD1 LEU 71 2.397 -3.700 0.022 509 HD13 LEU 71 3HD1 LEU 71 3.716 -3.976 -1.116 510 HD21 LEU 71 3HD2 LEU 71 3.197 -3.293 2.671 511 HD22 LEU 71 1HD2 LEU 71 4.181 -4.752 2.789 512 HD23 LEU 71 2HD2 LEU 71 2.701 -4.762 1.828 513 H THR 72 H THR 72 7.564 -3.377 -0.558 514 HA THR 72 HA THR 72 8.411 -1.221 1.252 515 HB THR 72 HB THR 72 9.293 -1.763 -1.590 516 HG1 THR 72 1HG THR 72 10.607 -2.186 0.907 517 HG21 THR 72 3HG2 THR 72 10.383 0.193 -1.574 518 HG22 THR 72 1HG2 THR 72 10.970 -0.055 0.070 519 HG23 THR 72 2HG2 THR 72 9.364 0.623 -0.201 520 H VAL 73 H VAL 73 6.864 0.277 1.426 521 HA VAL 73 HA VAL 73 4.728 0.820 -0.146 522 HB VAL 73 HB VAL 73 6.401 2.924 1.234 523 HG11 VAL 73 1HG1 VAL 73 4.574 4.362 1.136 524 HG12 VAL 73 2HG1 VAL 73 4.588 3.616 -0.463 525 HG13 VAL 73 3HG1 VAL 73 3.446 3.060 0.760 526 HG21 VAL 73 3HG2 VAL 73 5.874 1.730 3.062 527 HG22 VAL 73 1HG2 VAL 73 4.269 2.429 2.854 528 HG23 VAL 73 2HG2 VAL 73 4.618 0.819 2.225 529 HA PRO 74 HA PRO 74 6.260 2.259 -4.027 530 HB2 PRO 74 1HB PRO 74 3.975 3.408 -4.937 531 HB3 PRO 74 2HB PRO 74 4.212 1.657 -4.876 532 HG2 PRO 74 1HG PRO 74 2.750 3.438 -2.965 533 HG3 PRO 74 2HG PRO 74 2.279 1.849 -3.597 534 HD2 PRO 74 1HD PRO 74 3.357 2.176 -1.135 535 HD3 PRO 74 2HD PRO 74 3.629 0.718 -2.110 536 H GLU 75 H GLU 75 6.453 4.278 -5.285 537 HA GLU 75 HA GLU 75 6.776 6.562 -3.482 538 HB2 GLU 75 1HB GLU 75 8.794 6.335 -4.546 539 HB3 GLU 75 2HB GLU 75 8.071 5.681 -6.009 540 HG2 GLU 75 1HG GLU 75 7.505 7.797 -6.818 541 HG3 GLU 75 2HG GLU 75 7.715 8.553 -5.240 542 H TYR 76 H TYR 76 5.385 8.190 -3.519 543 HA TYR 76 HA TYR 76 3.111 8.294 -5.104 544 HB2 TYR 76 1HB TYR 76 3.640 9.550 -2.922 545 HB3 TYR 76 2HB TYR 76 4.390 10.766 -3.951 546 HD1 TYR 76 1HD TYR 76 1.273 8.780 -4.457 547 HD2 TYR 76 2HD TYR 76 2.998 12.624 -3.862 548 HE1 TYR 76 1HE TYR 76 -0.927 9.817 -4.824 549 HE2 TYR 76 2HE TYR 76 0.803 13.672 -4.226 550 HH TYR 76 HH TYR 76 -1.693 12.257 -5.663 551 H SER 77 H SER 77 2.493 10.024 -6.647 552 HA SER 77 HA SER 77 4.367 10.104 -8.811 553 HB2 SER 77 1HB SER 77 2.099 9.874 -9.449 554 HB3 SER 77 2HB SER 77 1.589 11.213 -8.421 555 HG SER 77 HG SER 77 3.452 11.758 -10.422 556 H ASN 78 H ASN 78 3.149 12.409 -6.448 557 HA ASN 78 HA ASN 78 5.001 14.429 -7.528 558 HB2 ASN 78 1HB ASN 78 2.424 14.854 -7.329 559 HB3 ASN 78 2HB ASN 78 2.785 15.104 -5.624 560 HD21 ASN 78 1HD2 ASN 78 1.948 16.881 -7.933 561 HD22 ASN 78 2HD2 ASN 78 3.048 18.211 -7.852 562 H LYS 79 H LYS 79 6.863 14.209 -6.436 563 HA LYS 79 HA LYS 79 6.841 13.645 -3.581 564 HB2 LYS 79 1HB LYS 79 8.891 13.626 -5.742 565 HB3 LYS 79 2HB LYS 79 9.444 13.904 -4.096 566 HG2 LYS 79 1HG LYS 79 7.938 11.776 -3.627 567 HG3 LYS 79 2HG LYS 79 8.290 11.469 -5.329 568 HD2 LYS 79 1HD LYS 79 10.487 12.165 -3.413 569 HD3 LYS 79 2HD LYS 79 9.879 10.511 -3.523 570 HE2 LYS 79 1HE LYS 79 10.535 10.309 -5.772 571 HE3 LYS 79 2HE LYS 79 10.751 12.050 -5.952 572 HZ1 LYS 79 3HZ LYS 79 12.573 10.065 -4.914 573 HZ2 LYS 79 1HZ LYS 79 12.480 11.473 -3.981 574 HZ3 LYS 79 2HZ LYS 79 12.896 11.569 -5.618 575 H ARG 80 H ARG 80 7.460 16.283 -5.782 576 HA ARG 80 HA ARG 80 8.691 17.980 -3.823 577 HB2 ARG 80 1HB ARG 80 7.610 18.452 -6.595 578 HB3 ARG 80 2HB ARG 80 8.228 19.763 -5.600 579 HG2 ARG 80 1HG ARG 80 10.318 18.168 -5.404 580 HG3 ARG 80 2HG ARG 80 9.676 17.534 -6.921 581 HD2 ARG 80 1HD ARG 80 9.679 19.816 -7.846 582 HD3 ARG 80 2HD ARG 80 10.380 20.409 -6.341 583 HE ARG 80 HE ARG 80 12.005 18.359 -7.348 584 HH11 ARG 80 1HH1 ARG 80 11.050 21.621 -8.099 585 HH12 ARG 80 2HH1 ARG 80 12.528 22.004 -8.918 586 HH21 ARG 80 1HH2 ARG 80 13.956 18.851 -8.424 587 HH22 ARG 80 2HH2 ARG 80 14.180 20.427 -9.103 588 H VAL 81 H VAL 81 6.496 17.104 -2.588 589 HA VAL 81 HA VAL 81 4.568 19.328 -2.754 590 HB VAL 81 HB VAL 81 2.921 17.863 -1.713 591 HG11 VAL 81 1HG1 VAL 81 4.278 16.759 -4.163 592 HG12 VAL 81 2HG1 VAL 81 2.720 16.179 -3.572 593 HG13 VAL 81 3HG1 VAL 81 2.900 17.856 -4.088 594 HG21 VAL 81 3HG2 VAL 81 4.235 16.453 -0.334 595 HG22 VAL 81 1HG2 VAL 81 3.479 15.405 -1.535 596 HG23 VAL 81 2HG2 VAL 81 5.173 15.865 -1.707 597 H SER 82 H SER 82 4.455 20.683 -1.089 598 HA SER 82 HA SER 82 6.106 20.235 1.235 599 HB2 SER 82 1HB SER 82 5.622 22.476 -0.061 600 HB3 SER 82 2HB SER 82 4.222 22.552 1.009 601 HG SER 82 HG SER 82 6.902 22.874 1.573 602 H ARG 83 H ARG 83 2.927 19.540 0.371 603 HA ARG 83 HA ARG 83 2.130 19.337 3.202 604 HB2 ARG 83 1HB ARG 83 0.550 20.014 0.744 605 HB3 ARG 83 2HB ARG 83 -0.248 19.295 2.137 606 HG2 ARG 83 1HG ARG 83 0.400 21.137 3.531 607 HG3 ARG 83 2HG ARG 83 1.382 21.823 2.235 608 HD2 ARG 83 1HD ARG 83 -0.594 23.070 2.180 609 HD3 ARG 83 2HD ARG 83 -0.788 21.893 0.881 610 HE ARG 83 HE ARG 83 -2.572 21.025 2.005 611 HH11 ARG 83 1HH1 ARG 83 -0.634 22.865 4.237 612 HH12 ARG 83 2HH1 ARG 83 -1.756 22.702 5.547 613 HH21 ARG 83 1HH2 ARG 83 -4.057 20.804 3.723 614 HH22 ARG 83 2HH2 ARG 83 -3.702 21.529 5.254 615 HA PRO 84 HA PRO 84 1.705 14.991 2.768 616 HB2 PRO 84 1HB PRO 84 -0.431 14.489 4.367 617 HB3 PRO 84 2HB PRO 84 1.158 14.934 4.999 618 HG2 PRO 84 1HG PRO 84 -1.263 16.645 4.584 619 HG3 PRO 84 2HG PRO 84 -0.142 16.606 5.958 620 HD2 PRO 84 1HD PRO 84 -0.009 18.496 4.023 621 HD3 PRO 84 2HD PRO 84 1.429 17.898 4.875 622 H VAL 85 H VAL 85 0.565 13.385 1.689 623 HA VAL 85 HA VAL 85 -1.826 14.297 0.225 624 HB VAL 85 HB VAL 85 0.238 12.280 -0.670 625 HG11 VAL 85 1HG1 VAL 85 -1.560 13.314 -2.692 626 HG12 VAL 85 2HG1 VAL 85 -1.151 11.645 -2.292 627 HG13 VAL 85 3HG1 VAL 85 -2.428 12.478 -1.405 628 HG21 VAL 85 3HG2 VAL 85 0.120 14.379 -2.489 629 HG22 VAL 85 1HG2 VAL 85 0.092 15.158 -0.907 630 HG23 VAL 85 2HG2 VAL 85 1.407 14.060 -1.326 631 H GLN 86 H GLN 86 -3.608 13.007 0.169 632 HA GLN 86 HA GLN 86 -3.608 10.730 2.002 633 HB2 GLN 86 1HB GLN 86 -5.315 12.380 2.427 634 HB3 GLN 86 2HB GLN 86 -5.856 12.316 0.755 635 HG2 GLN 86 1HG GLN 86 -7.413 11.111 2.092 636 HG3 GLN 86 2HG GLN 86 -6.513 9.951 1.116 637 HE21 GLN 86 1HE2 GLN 86 -6.485 8.167 2.313 638 HE22 GLN 86 2HE2 GLN 86 -5.923 8.064 3.943 639 H VAL 87 H VAL 87 -3.390 8.755 1.210 640 HA VAL 87 HA VAL 87 -4.599 8.129 -1.396 641 HB VAL 87 HB VAL 87 -2.703 6.779 -2.045 642 HG11 VAL 87 1HG1 VAL 87 -1.082 9.072 -1.396 643 HG12 VAL 87 2HG1 VAL 87 -1.731 8.560 -2.956 644 HG13 VAL 87 3HG1 VAL 87 -2.704 9.565 -1.881 645 HG21 VAL 87 3HG2 VAL 87 -2.138 6.471 0.544 646 HG22 VAL 87 1HG2 VAL 87 -0.938 6.226 -0.726 647 HG23 VAL 87 2HG2 VAL 87 -0.982 7.748 0.164 648 H TYR 88 H TYR 88 -4.681 5.689 -1.735 649 HA TYR 88 HA TYR 88 -5.044 4.243 0.792 650 HB2 TYR 88 1HB TYR 88 -7.084 4.376 -1.439 651 HB3 TYR 88 2HB TYR 88 -7.184 3.312 -0.040 652 HD1 TYR 88 2HD TYR 88 -7.057 6.898 -1.016 653 HD2 TYR 88 1HD TYR 88 -8.175 4.055 1.947 654 HE1 TYR 88 2HE TYR 88 -8.211 8.669 0.241 655 HE2 TYR 88 1HE TYR 88 -9.333 5.819 3.211 656 HH TYR 88 HH TYR 88 -9.373 8.191 3.447 657 H PHE 89 H PHE 89 -5.257 1.882 0.466 658 HA PHE 89 HA PHE 89 -4.322 0.821 -2.062 659 HB2 PHE 89 1HB PHE 89 -2.384 -0.342 -1.033 660 HB3 PHE 89 2HB PHE 89 -2.208 1.410 -1.026 661 HD1 PHE 89 2HD PHE 89 -3.438 -1.359 1.145 662 HD2 PHE 89 1HD PHE 89 -1.547 2.447 0.915 663 HE1 PHE 89 2HE PHE 89 -3.043 -1.413 3.572 664 HE2 PHE 89 1HE PHE 89 -1.147 2.399 3.343 665 HZ PHE 89 HZ PHE 89 -1.897 0.468 4.675 666 H TYR 90 H TYR 90 -3.945 -1.664 -1.761 667 HA TYR 90 HA TYR 90 -5.390 -2.968 0.319 668 HB2 TYR 90 1HB TYR 90 -7.262 -3.810 -0.986 669 HB3 TYR 90 2HB TYR 90 -7.287 -2.050 -0.975 670 HD1 TYR 90 2HD TYR 90 -6.028 -0.934 -3.027 671 HD2 TYR 90 1HD TYR 90 -7.582 -4.894 -2.998 672 HE1 TYR 90 2HE TYR 90 -6.102 -0.917 -5.486 673 HE2 TYR 90 1HE TYR 90 -7.659 -4.889 -5.457 674 HH TYR 90 HH TYR 90 -6.583 -3.728 -7.329 675 H VAL 91 H VAL 91 -5.679 -5.350 -0.203 676 HA VAL 91 HA VAL 91 -3.366 -6.244 -1.790 677 HB VAL 91 HB VAL 91 -4.761 -7.840 0.353 678 HG11 VAL 91 1HG1 VAL 91 -1.976 -8.386 0.021 679 HG12 VAL 91 2HG1 VAL 91 -3.355 -9.459 -0.225 680 HG13 VAL 91 3HG1 VAL 91 -2.773 -8.451 -1.551 681 HG21 VAL 91 3HG2 VAL 91 -2.778 -5.661 0.587 682 HG22 VAL 91 1HG2 VAL 91 -3.991 -6.224 1.738 683 HG23 VAL 91 2HG2 VAL 91 -2.476 -7.107 1.550 684 H SER 92 H SER 92 -3.771 -7.269 -3.626 685 HA SER 92 HA SER 92 -6.442 -8.422 -4.040 686 HB2 SER 92 1HB SER 92 -5.983 -6.791 -5.709 687 HB3 SER 92 2HB SER 92 -4.351 -7.406 -5.967 688 HG SER 92 HG SER 92 -5.486 -8.264 -7.605 689 H ASN 93 H ASN 93 -6.644 -10.551 -3.984 690 HA ASN 93 HA ASN 93 -4.367 -12.219 -4.808 691 HB2 ASN 93 1HB ASN 93 -6.136 -12.724 -2.404 692 HB3 ASN 93 2HB ASN 93 -4.856 -13.788 -2.980 693 HD21 ASN 93 1HD2 ASN 93 -4.917 -12.806 -0.401 694 HD22 ASN 93 2HD2 ASN 93 -3.595 -11.717 -0.179 695 H GLY 94 H GLY 94 -5.133 -12.968 -6.710 696 HA2 GLY 94 1HA GLY 94 -6.313 -14.812 -7.714 697 HA3 GLY 94 2HA GLY 94 -7.636 -14.517 -6.595 698 H ARG 95 H ARG 95 -9.369 -13.827 -7.643 699 HA ARG 95 HA ARG 95 -8.996 -11.880 -9.824 700 HB2 ARG 95 1HB ARG 95 -11.029 -14.100 -9.574 701 HB3 ARG 95 2HB ARG 95 -11.136 -12.814 -10.768 702 HG2 ARG 95 1HG ARG 95 -8.647 -14.444 -10.601 703 HG3 ARG 95 2HG ARG 95 -10.078 -15.113 -11.387 704 HD2 ARG 95 1HD ARG 95 -9.073 -14.112 -13.179 705 HD3 ARG 95 2HD ARG 95 -10.080 -12.781 -12.610 706 HE ARG 95 HE ARG 95 -8.164 -11.615 -12.247 707 HH11 ARG 95 1HH1 ARG 95 -7.426 -15.011 -12.043 708 HH12 ARG 95 2HH1 ARG 95 -5.731 -14.760 -11.783 709 HH21 ARG 95 1HH2 ARG 95 -5.936 -11.272 -11.904 710 HH22 ARG 95 2HH2 ARG 95 -4.885 -12.633 -11.703 711 H ARG 96 H ARG 96 -11.412 -13.068 -7.484 712 HA ARG 96 HA ARG 96 -12.415 -10.307 -7.262 713 HB2 ARG 96 1HB ARG 96 -14.566 -11.143 -6.779 714 HB3 ARG 96 2HB ARG 96 -13.984 -12.125 -8.117 715 HG2 ARG 96 1HG ARG 96 -14.819 -13.763 -6.787 716 HG3 ARG 96 2HG ARG 96 -13.176 -13.690 -6.147 717 HD2 ARG 96 1HD ARG 96 -14.428 -13.634 -4.214 718 HD3 ARG 96 2HD ARG 96 -14.185 -11.916 -4.527 719 HE ARG 96 HE ARG 96 -16.546 -12.612 -5.783 720 HH11 ARG 96 1HH1 ARG 96 -15.284 -12.591 -2.539 721 HH12 ARG 96 2HH1 ARG 96 -16.830 -12.332 -1.800 722 HH21 ARG 96 1HH2 ARG 96 -18.586 -12.271 -4.823 723 HH22 ARG 96 2HH2 ARG 96 -18.708 -12.151 -3.100 724 H LYS 97 H LYS 97 -10.940 -12.918 -5.613 725 HA LYS 97 HA LYS 97 -11.714 -12.129 -2.961 726 HB2 LYS 97 1HB LYS 97 -9.415 -13.911 -3.776 727 HB3 LYS 97 2HB LYS 97 -10.187 -13.834 -2.198 728 HG2 LYS 97 1HG LYS 97 -12.200 -14.793 -3.063 729 HG3 LYS 97 2HG LYS 97 -11.589 -14.700 -4.716 730 HD2 LYS 97 1HD LYS 97 -11.281 -16.941 -4.086 731 HD3 LYS 97 2HD LYS 97 -9.687 -16.203 -3.916 732 HE2 LYS 97 1HE LYS 97 -10.157 -15.893 -1.494 733 HE3 LYS 97 2HE LYS 97 -11.666 -16.778 -1.714 734 HZ1 LYS 97 3HZ LYS 97 -9.012 -17.779 -1.424 735 HZ2 LYS 97 1HZ LYS 97 -9.749 -18.387 -2.820 736 HZ3 LYS 97 2HZ LYS 97 -10.487 -18.600 -1.313 737 H ARG 98 H ARG 98 -11.051 -10.215 -2.213 738 HA ARG 98 HA ARG 98 -8.219 -9.706 -1.977 739 HB2 ARG 98 1HB ARG 98 -8.386 -7.425 -2.974 740 HB3 ARG 98 2HB ARG 98 -8.567 -8.726 -4.143 741 HG2 ARG 98 1HG ARG 98 -10.247 -7.313 -4.788 742 HG3 ARG 98 2HG ARG 98 -11.116 -8.387 -3.690 743 HD2 ARG 98 1HD ARG 98 -10.964 -6.782 -1.910 744 HD3 ARG 98 2HD ARG 98 -9.914 -5.746 -2.876 745 HE ARG 98 HE ARG 98 -12.488 -6.245 -4.065 746 HH11 ARG 98 1HH1 ARG 98 -10.663 -4.220 -1.899 747 HH12 ARG 98 2HH1 ARG 98 -11.724 -2.861 -2.067 748 HH21 ARG 98 1HH2 ARG 98 -13.893 -4.463 -4.294 749 HH22 ARG 98 2HH2 ARG 98 -13.561 -3.000 -3.428 750 H SER 99 H SER 99 -7.972 -7.386 -0.917 751 HA SER 99 HA SER 99 -9.912 -7.325 1.291 752 HB2 SER 99 1HB SER 99 -7.908 -5.846 2.264 753 HB3 SER 99 2HB SER 99 -7.907 -7.607 2.368 754 HG SER 99 HG SER 99 -5.945 -6.578 1.512 755 HA PRO 100 HA PRO 100 -11.343 -3.294 0.319 756 HB2 PRO 100 1HB PRO 100 -11.529 -2.125 2.762 757 HB3 PRO 100 2HB PRO 100 -12.633 -3.393 2.218 758 HG2 PRO 100 1HG PRO 100 -10.233 -3.605 3.995 759 HG3 PRO 100 2HG PRO 100 -11.824 -4.369 4.168 760 HD2 PRO 100 1HD PRO 100 -9.672 -5.691 3.193 761 HD3 PRO 100 2HD PRO 100 -11.328 -6.036 2.655 762 H THR 101 H THR 101 -10.926 -0.887 0.807 763 HA THR 101 HA THR 101 -8.114 -0.401 0.361 764 HB THR 101 HB THR 101 -8.856 2.005 0.146 765 HG1 THR 101 1HG THR 101 -11.500 1.104 -0.037 766 HG21 THR 101 3HG2 THR 101 -9.465 1.704 -2.045 767 HG22 THR 101 1HG2 THR 101 -10.562 0.375 -1.673 768 HG23 THR 101 2HG2 THR 101 -8.820 0.102 -1.688 769 H GLN 102 H GLN 102 -6.701 0.647 1.690 770 HA GLN 102 HA GLN 102 -7.618 1.098 4.446 771 HB2 GLN 102 1HB GLN 102 -4.980 0.284 3.273 772 HB3 GLN 102 2HB GLN 102 -5.046 1.035 4.862 773 HG2 GLN 102 1HG GLN 102 -5.034 -1.288 5.227 774 HG3 GLN 102 2HG GLN 102 -6.688 -0.753 5.516 775 HE21 GLN 102 1HE2 GLN 102 -8.294 -1.658 4.392 776 HE22 GLN 102 2HE2 GLN 102 -8.086 -2.786 3.100 777 H SER 103 H SER 103 -7.362 3.038 5.427 778 HA SER 103 HA SER 103 -6.892 5.324 3.776 779 HB2 SER 103 1HB SER 103 -8.489 5.759 5.404 780 HB3 SER 103 2HB SER 103 -7.603 4.886 6.654 781 HG SER 103 HG SER 103 -6.436 7.174 5.548 782 H PHE 104 H PHE 104 -4.932 5.966 3.198 783 HA PHE 104 HA PHE 104 -2.798 5.950 5.223 784 HB2 PHE 104 1HB PHE 104 -2.687 4.155 3.315 785 HB3 PHE 104 2HB PHE 104 -2.148 5.512 2.332 786 HD1 PHE 104 2HD PHE 104 -1.380 3.542 5.365 787 HD2 PHE 104 1HD PHE 104 0.056 6.304 2.463 788 HE1 PHE 104 2HE PHE 104 0.908 3.243 6.218 789 HE2 PHE 104 1HE PHE 104 2.347 6.009 3.311 790 HZ PHE 104 HZ PHE 104 2.775 4.478 5.192 791 H ARG 105 H ARG 105 -1.146 7.560 4.920 792 HA ARG 105 HA ARG 105 -1.690 9.686 3.009 793 HB2 ARG 105 1HB ARG 105 -3.052 10.290 4.960 794 HB3 ARG 105 2HB ARG 105 -1.632 10.178 5.991 795 HG2 ARG 105 1HG ARG 105 -0.598 12.003 4.647 796 HG3 ARG 105 2HG ARG 105 -2.136 12.173 3.797 797 HD2 ARG 105 1HD ARG 105 -2.089 12.253 6.780 798 HD3 ARG 105 2HD ARG 105 -1.583 13.675 5.869 799 HE ARG 105 HE ARG 105 -4.054 12.752 4.883 800 HH11 ARG 105 1HH1 ARG 105 -2.668 14.325 7.662 801 HH12 ARG 105 2HH1 ARG 105 -4.123 15.172 8.071 802 HH21 ARG 105 1HH2 ARG 105 -5.976 13.861 5.411 803 HH22 ARG 105 2HH2 ARG 105 -6.004 14.906 6.791 804 H PHE 106 H PHE 106 0.143 10.538 2.248 805 HA PHE 106 HA PHE 106 2.658 9.665 3.418 806 HB2 PHE 106 1HB PHE 106 2.136 11.224 0.878 807 HB3 PHE 106 2HB PHE 106 3.680 10.534 1.368 808 HD1 PHE 106 1HD PHE 106 3.055 7.883 2.251 809 HD2 PHE 106 2HD PHE 106 1.376 10.098 -0.972 810 HE1 PHE 106 1HE PHE 106 2.478 5.780 1.111 811 HE2 PHE 106 2HE PHE 106 0.795 7.999 -2.117 812 HZ PHE 106 HZ PHE 106 1.345 5.837 -1.075 813 H LEU 107 H LEU 107 4.259 11.017 4.183 814 HA LEU 107 HA LEU 107 3.421 13.791 4.711 815 HB2 LEU 107 1HB LEU 107 5.393 12.166 6.302 816 HB3 LEU 107 2HB LEU 107 4.709 13.735 6.725 817 HG LEU 107 HG LEU 107 3.039 11.242 6.489 818 HD11 LEU 107 1HD1 LEU 107 4.308 12.386 8.972 819 HD12 LEU 107 2HD1 LEU 107 4.781 10.886 8.175 820 HD13 LEU 107 3HD1 LEU 107 3.181 11.031 8.903 821 HD21 LEU 107 3HD2 LEU 107 1.385 12.702 6.743 822 HD22 LEU 107 1HD2 LEU 107 2.520 14.030 6.986 823 HD23 LEU 107 2HD2 LEU 107 2.008 13.045 8.357 824 HA PRO 108 HA PRO 108 6.849 15.173 2.315 825 HB2 PRO 108 1HB PRO 108 7.098 17.670 3.351 826 HB3 PRO 108 2HB PRO 108 5.789 17.211 2.256 827 HG2 PRO 108 1HG PRO 108 5.771 17.435 5.241 828 HG3 PRO 108 2HG PRO 108 4.551 17.972 4.072 829 HD2 PRO 108 1HD PRO 108 4.303 15.677 5.487 830 HD3 PRO 108 2HD PRO 108 3.660 15.858 3.842 831 H VAL 109 H VAL 109 8.750 14.206 2.762 832 HA VAL 109 HA VAL 109 9.995 14.437 5.360 833 HB VAL 109 HB VAL 109 11.813 13.070 4.347 834 HG11 VAL 109 1HG1 VAL 109 10.309 11.051 3.887 835 HG12 VAL 109 2HG1 VAL 109 10.166 11.834 5.462 836 HG13 VAL 109 3HG1 VAL 109 8.962 12.142 4.210 837 HG21 VAL 109 3HG2 VAL 109 10.415 13.823 1.914 838 HG22 VAL 109 1HG2 VAL 109 12.047 13.192 2.132 839 HG23 VAL 109 2HG2 VAL 109 10.679 12.084 2.028 840 H ILE 110 H ILE 110 10.326 15.860 2.192 841 HA ILE 110 HA ILE 110 12.794 16.854 1.990 842 HB ILE 110 HB ILE 110 10.284 18.505 1.677 843 HG12 ILE 110 1HG1 ILE 110 11.813 17.327 -0.600 844 HG13 ILE 110 2HG1 ILE 110 10.784 16.260 0.351 845 HG21 ILE 110 1HG2 ILE 110 13.067 18.976 0.616 846 HG22 ILE 110 2HG2 ILE 110 11.635 19.900 0.163 847 HG23 ILE 110 3HG2 ILE 110 12.225 19.946 1.824 848 HD11 ILE 110 3HD1 ILE 110 10.079 18.271 -1.626 849 HD12 ILE 110 1HD1 ILE 110 9.165 16.882 -1.039 850 HD13 ILE 110 2HD1 ILE 110 9.144 18.397 -0.136 851 H CYS 111 H CYS 111 14.187 17.982 3.175 852 HA CYS 111 HA CYS 111 13.990 18.638 5.773 853 HB2 CYS 111 1HB CYS 111 15.486 20.124 3.613 854 HB3 CYS 111 2HB CYS 111 15.695 20.462 5.327 855 HG CYS 111 HG CYS 111 17.868 18.945 4.586 856 H LYS 112 H LYS 112 13.155 20.205 7.052 857 HA LYS 112 HA LYS 112 11.007 21.766 6.081 858 HB2 LYS 112 1HB LYS 112 12.450 21.537 8.690 859 HB3 LYS 112 2HB LYS 112 11.351 22.888 8.442 860 HG2 LYS 112 1HG LYS 112 9.985 21.326 9.433 861 HG3 LYS 112 2HG LYS 112 9.665 21.055 7.718 862 HD2 LYS 112 1HD LYS 112 9.959 18.905 8.585 863 HD3 LYS 112 2HD LYS 112 11.521 19.287 7.856 864 HE2 LYS 112 1HE LYS 112 12.260 20.056 10.144 865 HE3 LYS 112 2HE LYS 112 10.772 19.350 10.772 866 HZ1 LYS 112 3HZ LYS 112 11.517 17.223 9.700 867 HZ2 LYS 112 1HZ LYS 112 12.446 17.732 11.020 868 HZ3 LYS 112 2HZ LYS 112 13.022 17.953 9.445 869 H GLU 113 H GLU 113 10.799 23.999 5.834 870 HA GLU 113 HA GLU 113 13.273 25.344 5.090 871 HB2 GLU 113 1HB GLU 113 10.365 26.051 4.687 872 HB3 GLU 113 2HB GLU 113 11.690 27.103 4.209 873 HG2 GLU 113 1HG GLU 113 12.518 25.413 2.683 874 HG3 GLU 113 2HG GLU 113 11.248 24.303 3.197 875 H GLU 114 H GLU 114 14.075 27.158 6.049 876 HA GLU 114 HA GLU 114 12.747 28.008 8.538 877 HB2 GLU 114 1HB GLU 114 14.926 28.548 9.431 878 HB3 GLU 114 2HB GLU 114 14.936 26.888 8.852 879 HG2 GLU 114 1HG GLU 114 16.987 27.909 8.216 880 HG3 GLU 114 2HG GLU 114 16.015 27.683 6.763 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -3.610 -29.174 -2.558 2 HA2 GLY 1 1HA GLY 1 -5.136 -29.900 -1.002 3 HA3 GLY 1 2HA GLY 1 -3.824 -29.728 0.155 4 H SER 2 H SER 2 -6.905 -28.872 -0.381 5 HA SER 2 HA SER 2 -6.749 -26.115 0.499 6 HB2 SER 2 1HB SER 2 -9.146 -27.906 0.028 7 HB3 SER 2 2HB SER 2 -9.217 -26.178 0.374 8 HG SER 2 HG SER 2 -8.648 -25.753 -1.615 9 H SER 3 H SER 3 -7.713 -25.331 2.437 10 HA SER 3 HA SER 3 -7.865 -27.349 4.581 11 HB2 SER 3 1HB SER 3 -5.847 -25.777 4.601 12 HB3 SER 3 2HB SER 3 -6.989 -24.490 4.991 13 HG SER 3 HG SER 3 -6.443 -26.833 6.491 14 H GLY 4 H GLY 4 -8.882 -24.039 3.724 15 HA2 GLY 4 1HA GLY 4 -11.441 -24.604 5.089 16 HA3 GLY 4 2HA GLY 4 -10.637 -23.047 5.223 17 H SER 5 H SER 5 -13.180 -23.003 4.408 18 HA SER 5 HA SER 5 -13.317 -23.060 1.514 19 HB2 SER 5 1HB SER 5 -15.212 -23.677 3.177 20 HB3 SER 5 2HB SER 5 -15.454 -21.935 3.308 21 HG SER 5 HG SER 5 -15.400 -22.194 0.818 22 H SER 6 H SER 6 -13.879 -20.575 4.013 23 HA SER 6 HA SER 6 -13.810 -18.435 2.124 24 HB2 SER 6 1HB SER 6 -13.602 -18.375 5.145 25 HB3 SER 6 2HB SER 6 -13.878 -16.973 4.112 26 HG SER 6 HG SER 6 -15.771 -18.279 3.343 27 H GLY 7 H GLY 7 -12.064 -17.596 1.207 28 HA2 GLY 7 1HA GLY 7 -9.533 -17.631 2.729 29 HA3 GLY 7 2HA GLY 7 -9.587 -18.052 1.024 30 H LEU 8 H LEU 8 -11.115 -15.420 2.869 31 HA LEU 8 HA LEU 8 -10.213 -13.531 0.844 32 HB2 LEU 8 1HB LEU 8 -12.051 -13.231 3.212 33 HB3 LEU 8 2HB LEU 8 -11.638 -11.921 2.107 34 HG LEU 8 HG LEU 8 -12.835 -14.410 0.988 35 HD11 LEU 8 1HD1 LEU 8 -14.257 -12.378 2.664 36 HD12 LEU 8 2HD1 LEU 8 -14.398 -14.136 2.682 37 HD13 LEU 8 3HD1 LEU 8 -15.086 -13.210 1.347 38 HD21 LEU 8 3HD2 LEU 8 -13.894 -11.939 0.025 39 HD22 LEU 8 1HD2 LEU 8 -12.931 -13.144 -0.830 40 HD23 LEU 8 2HD2 LEU 8 -12.132 -11.844 0.054 41 HA PRO 9 HA PRO 9 -6.811 -12.023 3.196 42 HB2 PRO 9 1HB PRO 9 -6.595 -9.548 2.100 43 HB3 PRO 9 2HB PRO 9 -6.106 -11.020 1.252 44 HG2 PRO 9 1HG PRO 9 -8.635 -9.439 0.997 45 HG3 PRO 9 2HG PRO 9 -7.634 -10.161 -0.276 46 HD2 PRO 9 1HD PRO 9 -9.915 -11.316 0.615 47 HD3 PRO 9 2HD PRO 9 -8.527 -12.262 0.039 48 H GLN 10 H GLN 10 -6.507 -10.985 5.093 49 HA GLN 10 HA GLN 10 -8.570 -9.062 5.945 50 HB2 GLN 10 1HB GLN 10 -8.636 -11.327 7.079 51 HB3 GLN 10 2HB GLN 10 -7.075 -10.929 7.783 52 HG2 GLN 10 1HG GLN 10 -7.974 -9.170 9.052 53 HG3 GLN 10 2HG GLN 10 -9.475 -9.165 8.128 54 HE21 GLN 10 1HE2 GLN 10 -10.052 -9.202 10.577 55 HE22 GLN 10 2HE2 GLN 10 -10.406 -10.770 11.211 56 H VAL 11 H VAL 11 -7.905 -7.338 7.274 57 HA VAL 11 HA VAL 11 -4.997 -6.919 7.452 58 HB VAL 11 HB VAL 11 -7.022 -4.843 6.604 59 HG11 VAL 11 1HG1 VAL 11 -5.559 -3.285 7.202 60 HG12 VAL 11 2HG1 VAL 11 -4.525 -4.538 7.892 61 HG13 VAL 11 3HG1 VAL 11 -4.314 -4.044 6.211 62 HG21 VAL 11 3HG2 VAL 11 -6.204 -6.676 4.957 63 HG22 VAL 11 1HG2 VAL 11 -6.196 -4.988 4.446 64 HG23 VAL 11 2HG2 VAL 11 -4.696 -5.761 4.961 65 H GLU 12 H GLU 12 -4.983 -7.396 9.649 66 HA GLU 12 HA GLU 12 -6.784 -6.282 11.526 67 HB2 GLU 12 1HB GLU 12 -5.101 -8.303 11.703 68 HB3 GLU 12 2HB GLU 12 -4.008 -7.067 12.310 69 HG2 GLU 12 1HG GLU 12 -5.420 -6.586 14.144 70 HG3 GLU 12 2HG GLU 12 -6.743 -7.528 13.460 71 H ALA 13 H ALA 13 -3.356 -5.508 10.904 72 HA ALA 13 HA ALA 13 -3.891 -2.690 11.303 73 HB1 ALA 13 3HB ALA 13 -2.255 -2.404 13.089 74 HB2 ALA 13 1HB ALA 13 -3.564 -3.472 13.595 75 HB3 ALA 13 2HB ALA 13 -1.998 -4.148 13.144 76 H TYR 14 H TYR 14 -2.014 -1.342 10.803 77 HA TYR 14 HA TYR 14 0.124 -2.703 9.336 78 HB2 TYR 14 1HB TYR 14 -0.120 -1.147 7.437 79 HB3 TYR 14 2HB TYR 14 -1.549 -2.153 7.648 80 HD1 TYR 14 1HD TYR 14 -0.222 1.197 8.634 81 HD2 TYR 14 2HD TYR 14 -3.630 -1.143 7.627 82 HE1 TYR 14 1HE TYR 14 -1.624 3.217 8.709 83 HE2 TYR 14 2HE TYR 14 -5.041 0.870 7.699 84 HH TYR 14 HH TYR 14 -4.233 3.696 7.379 85 H SER 15 H SER 15 2.070 -1.618 9.294 86 HA SER 15 HA SER 15 2.247 1.081 10.349 87 HB2 SER 15 1HB SER 15 3.979 0.356 12.046 88 HB3 SER 15 2HB SER 15 2.322 -0.118 12.420 89 HG SER 15 HG SER 15 4.051 -1.849 11.018 90 HA PRO 16 HA PRO 16 4.011 2.324 11.164 91 HB2 PRO 16 1HB PRO 16 4.818 4.558 9.849 92 HB3 PRO 16 2HB PRO 16 5.934 3.503 10.724 93 HG2 PRO 16 1HG PRO 16 5.346 3.621 7.791 94 HG3 PRO 16 2HG PRO 16 6.909 3.463 8.614 95 HD2 PRO 16 1HD PRO 16 5.617 1.349 7.521 96 HD3 PRO 16 2HD PRO 16 6.636 1.202 8.967 97 H SER 17 H SER 17 2.200 3.544 11.442 98 HA SER 17 HA SER 17 -0.002 3.298 9.868 99 HB2 SER 17 1HB SER 17 -0.109 4.214 12.128 100 HB3 SER 17 2HB SER 17 0.713 5.681 11.596 101 HG SER 17 HG SER 17 -1.061 6.280 10.467 102 H ALA 18 H ALA 18 2.580 5.647 9.529 103 HA ALA 18 HA ALA 18 1.555 6.334 6.881 104 HB1 ALA 18 3HB ALA 18 1.273 8.062 9.079 105 HB2 ALA 18 1HB ALA 18 2.568 8.726 8.083 106 HB3 ALA 18 2HB ALA 18 0.981 8.418 7.377 107 H CYS 19 H CYS 19 3.216 7.730 5.689 108 HA CYS 19 HA CYS 19 5.958 7.351 6.560 109 HB2 CYS 19 1HB CYS 19 5.013 5.299 5.177 110 HB3 CYS 19 2HB CYS 19 5.346 6.357 3.811 111 HG CYS 19 HG CYS 19 7.638 5.115 3.681 112 H SER 20 H SER 20 7.459 8.166 4.664 113 HA SER 20 HA SER 20 6.431 10.805 3.961 114 HB2 SER 20 1HB SER 20 8.858 11.231 3.344 115 HB3 SER 20 2HB SER 20 8.556 10.875 5.045 116 HG SER 20 HG SER 20 10.291 9.692 3.621 117 H VAL 21 H VAL 21 6.374 11.616 1.881 118 HA VAL 21 HA VAL 21 5.516 10.120 -0.191 119 HB VAL 21 HB VAL 21 6.628 11.893 -1.718 120 HG11 VAL 21 1HG1 VAL 21 4.371 11.966 0.051 121 HG12 VAL 21 2HG1 VAL 21 5.026 13.591 -0.164 122 HG13 VAL 21 3HG1 VAL 21 4.542 12.640 -1.569 123 HG21 VAL 21 3HG2 VAL 21 7.569 13.797 -0.718 124 HG22 VAL 21 1HG2 VAL 21 7.022 13.326 0.891 125 HG23 VAL 21 2HG2 VAL 21 8.329 12.437 0.109 126 H ARG 22 H ARG 22 8.793 10.369 0.912 127 HA ARG 22 HA ARG 22 10.148 9.488 -1.381 128 HB2 ARG 22 1HB ARG 22 10.740 9.573 1.533 129 HB3 ARG 22 2HB ARG 22 11.747 8.534 0.533 130 HG2 ARG 22 1HG ARG 22 12.109 10.562 -0.949 131 HG3 ARG 22 2HG ARG 22 11.390 11.507 0.357 132 HD2 ARG 22 1HD ARG 22 13.108 10.494 1.890 133 HD3 ARG 22 2HD ARG 22 13.885 9.823 0.456 134 HE ARG 22 HE ARG 22 13.564 12.558 0.040 135 HH11 ARG 22 1HH1 ARG 22 15.308 10.420 2.163 136 HH12 ARG 22 2HH1 ARG 22 16.623 11.521 2.405 137 HH21 ARG 22 1HH2 ARG 22 15.290 14.016 0.351 138 HH22 ARG 22 2HH2 ARG 22 16.612 13.567 1.374 139 H GLY 23 H GLY 23 8.796 7.673 1.360 140 HA2 GLY 23 1HA GLY 23 8.026 5.500 1.445 141 HA3 GLY 23 2HA GLY 23 8.267 5.398 -0.293 142 H GLY 24 H GLY 24 9.656 3.877 -0.874 143 HA2 GLY 24 1HA GLY 24 11.223 2.181 -0.560 144 HA3 GLY 24 2HA GLY 24 12.260 3.587 -0.368 145 H GLU 25 H GLU 25 9.721 2.531 1.846 146 HA GLU 25 HA GLU 25 11.815 1.977 3.846 147 HB2 GLU 25 1HB GLU 25 9.191 3.415 4.106 148 HB3 GLU 25 2HB GLU 25 9.933 2.648 5.503 149 HG2 GLU 25 1HG GLU 25 11.565 4.506 3.850 150 HG3 GLU 25 2HG GLU 25 10.362 5.170 4.954 151 H GLU 26 H GLU 26 10.899 0.621 5.716 152 HA GLU 26 HA GLU 26 9.826 -1.793 4.559 153 HB2 GLU 26 1HB GLU 26 11.552 -2.149 6.128 154 HB3 GLU 26 2HB GLU 26 10.829 -1.052 7.297 155 HG2 GLU 26 1HG GLU 26 9.330 -3.492 6.490 156 HG3 GLU 26 2HG GLU 26 10.682 -3.642 7.610 157 H LEU 27 H LEU 27 7.787 -2.496 4.645 158 HA LEU 27 HA LEU 27 5.932 -1.222 6.537 159 HB2 LEU 27 1HB LEU 27 5.607 -0.185 4.369 160 HB3 LEU 27 2HB LEU 27 5.431 -1.769 3.615 161 HG LEU 27 HG LEU 27 3.367 -2.098 5.004 162 HD11 LEU 27 1HD1 LEU 27 4.130 -0.223 6.616 163 HD12 LEU 27 2HD1 LEU 27 2.417 -0.385 6.235 164 HD13 LEU 27 3HD1 LEU 27 3.381 0.860 5.442 165 HD21 LEU 27 3HD2 LEU 27 3.476 -1.253 2.597 166 HD22 LEU 27 1HD2 LEU 27 3.150 0.344 3.270 167 HD23 LEU 27 2HD2 LEU 27 1.984 -0.961 3.492 168 H VAL 28 H VAL 28 5.401 -2.817 7.886 169 HA VAL 28 HA VAL 28 4.953 -5.512 6.810 170 HB VAL 28 HB VAL 28 5.357 -4.568 9.650 171 HG11 VAL 28 1HG1 VAL 28 5.560 -7.382 9.437 172 HG12 VAL 28 2HG1 VAL 28 4.389 -6.436 10.357 173 HG13 VAL 28 3HG1 VAL 28 4.036 -6.902 8.692 174 HG21 VAL 28 3HG2 VAL 28 7.136 -6.576 8.441 175 HG22 VAL 28 1HG2 VAL 28 7.239 -4.957 7.748 176 HG23 VAL 28 2HG2 VAL 28 7.514 -5.198 9.474 177 H LEU 29 H LEU 29 2.900 -5.692 6.126 178 HA LEU 29 HA LEU 29 0.723 -4.412 7.537 179 HB2 LEU 29 1HB LEU 29 0.745 -6.260 5.156 180 HB3 LEU 29 2HB LEU 29 -0.687 -5.454 5.793 181 HG LEU 29 HG LEU 29 1.704 -3.932 4.785 182 HD11 LEU 29 1HD1 LEU 29 -0.733 -4.799 3.237 183 HD12 LEU 29 2HD1 LEU 29 0.924 -5.339 2.968 184 HD13 LEU 29 3HD1 LEU 29 0.487 -3.655 2.676 185 HD21 LEU 29 3HD2 LEU 29 -0.521 -3.144 6.203 186 HD22 LEU 29 1HD2 LEU 29 -0.957 -2.785 4.532 187 HD23 LEU 29 2HD2 LEU 29 0.512 -2.099 5.226 188 H THR 30 H THR 30 -0.170 -5.288 9.272 189 HA THR 30 HA THR 30 0.128 -8.123 9.820 190 HB THR 30 HB THR 30 -1.214 -5.977 11.477 191 HG1 THR 30 1HG THR 30 0.881 -6.466 12.708 192 HG21 THR 30 3HG2 THR 30 -1.004 -7.576 13.318 193 HG22 THR 30 1HG2 THR 30 -0.322 -8.769 12.213 194 HG23 THR 30 2HG2 THR 30 -1.993 -8.238 12.017 195 H GLY 31 H GLY 31 -1.478 -9.627 9.834 196 HA2 GLY 31 1HA GLY 31 -4.218 -9.186 9.953 197 HA3 GLY 31 2HA GLY 31 -3.784 -9.148 8.251 198 H SER 32 H SER 32 -4.767 -11.011 7.605 199 HA SER 32 HA SER 32 -3.421 -13.469 8.252 200 HB2 SER 32 1HB SER 32 -6.203 -12.917 9.235 201 HB3 SER 32 2HB SER 32 -5.739 -14.559 8.787 202 HG SER 32 HG SER 32 -4.134 -13.035 10.529 203 H ASN 33 H ASN 33 -4.365 -15.323 6.990 204 HA ASN 33 HA ASN 33 -4.968 -16.242 4.999 205 HB2 ASN 33 1HB ASN 33 -6.851 -13.879 5.016 206 HB3 ASN 33 2HB ASN 33 -6.883 -15.127 3.774 207 HD21 ASN 33 1HD2 ASN 33 -8.735 -16.151 4.167 208 HD22 ASN 33 2HD2 ASN 33 -9.163 -16.888 5.670 209 H PHE 34 H PHE 34 -2.640 -14.821 4.946 210 HA PHE 34 HA PHE 34 -2.724 -13.216 2.493 211 HB2 PHE 34 1HB PHE 34 -0.651 -13.517 4.664 212 HB3 PHE 34 2HB PHE 34 -0.312 -12.697 3.144 213 HD1 PHE 34 1HD PHE 34 -2.760 -11.210 2.647 214 HD2 PHE 34 2HD PHE 34 -0.674 -11.886 6.295 215 HE1 PHE 34 1HE PHE 34 -3.692 -9.124 3.562 216 HE2 PHE 34 2HE PHE 34 -1.604 -9.803 7.216 217 HZ PHE 34 HZ PHE 34 -3.115 -8.419 5.850 218 H LEU 35 H LEU 35 -1.320 -13.647 0.751 219 HA LEU 35 HA LEU 35 -0.229 -16.384 0.704 220 HB2 LEU 35 1HB LEU 35 -1.648 -14.862 -1.472 221 HB3 LEU 35 2HB LEU 35 -0.745 -16.349 -1.753 222 HG LEU 35 HG LEU 35 -2.932 -16.371 0.271 223 HD11 LEU 35 1HD1 LEU 35 -4.080 -15.286 -1.487 224 HD12 LEU 35 2HD1 LEU 35 -4.500 -16.995 -1.603 225 HD13 LEU 35 3HD1 LEU 35 -3.316 -16.301 -2.711 226 HD21 LEU 35 3HD2 LEU 35 -1.904 -18.420 0.197 227 HD22 LEU 35 1HD2 LEU 35 -1.529 -18.294 -1.522 228 HD23 LEU 35 2HD2 LEU 35 -3.176 -18.653 -1.003 229 HA PRO 36 HA PRO 36 3.640 -14.689 -0.493 230 HB2 PRO 36 1HB PRO 36 4.615 -16.686 -2.053 231 HB3 PRO 36 2HB PRO 36 4.492 -16.814 -0.294 232 HG2 PRO 36 1HG PRO 36 2.660 -17.887 -2.404 233 HG3 PRO 36 2HG PRO 36 3.242 -18.671 -0.924 234 HD2 PRO 36 1HD PRO 36 0.780 -17.559 -1.113 235 HD3 PRO 36 2HD PRO 36 1.701 -17.588 0.405 236 H ASP 37 H ASP 37 1.372 -15.700 -2.939 237 HA ASP 37 HA ASP 37 2.839 -14.392 -5.078 238 HB2 ASP 37 1HB ASP 37 1.599 -16.523 -5.463 239 HB3 ASP 37 2HB ASP 37 0.094 -15.661 -5.151 240 H SER 38 H SER 38 0.081 -13.818 -3.009 241 HA SER 38 HA SER 38 -1.376 -11.907 -4.229 242 HB2 SER 38 1HB SER 38 -0.402 -11.985 -1.373 243 HB3 SER 38 2HB SER 38 -1.563 -10.785 -1.942 244 HG SER 38 HG SER 38 -3.065 -12.263 -1.973 245 H LYS 39 H LYS 39 -1.363 -9.537 -4.102 246 HA LYS 39 HA LYS 39 1.321 -8.358 -3.995 247 HB2 LYS 39 1HB LYS 39 -0.653 -8.025 -6.260 248 HB3 LYS 39 2HB LYS 39 0.799 -7.053 -6.058 249 HG2 LYS 39 1HG LYS 39 2.076 -9.262 -6.103 250 HG3 LYS 39 2HG LYS 39 0.578 -9.971 -6.713 251 HD2 LYS 39 1HD LYS 39 1.574 -9.438 -8.697 252 HD3 LYS 39 2HD LYS 39 0.723 -7.922 -8.387 253 HE2 LYS 39 1HE LYS 39 2.910 -7.301 -8.996 254 HE3 LYS 39 2HE LYS 39 2.848 -7.137 -7.242 255 HZ1 LYS 39 3HZ LYS 39 4.831 -8.242 -7.617 256 HZ2 LYS 39 1HZ LYS 39 4.197 -9.205 -8.855 257 HZ3 LYS 39 2HZ LYS 39 3.776 -9.511 -7.245 258 H VAL 40 H VAL 40 1.211 -5.925 -4.031 259 HA VAL 40 HA VAL 40 -1.275 -4.922 -2.820 260 HB VAL 40 HB VAL 40 1.512 -4.354 -1.798 261 HG11 VAL 40 1HG1 VAL 40 0.141 -2.383 -1.615 262 HG12 VAL 40 2HG1 VAL 40 -1.176 -3.318 -0.905 263 HG13 VAL 40 3HG1 VAL 40 0.332 -3.100 -0.016 264 HG21 VAL 40 3HG2 VAL 40 -0.609 -6.241 -0.992 265 HG22 VAL 40 1HG2 VAL 40 1.139 -6.336 -0.779 266 HG23 VAL 40 2HG2 VAL 40 0.170 -5.347 0.313 267 H VAL 41 H VAL 41 -2.019 -3.401 -4.138 268 HA VAL 41 HA VAL 41 -0.087 -1.582 -5.423 269 HB VAL 41 HB VAL 41 -1.578 -1.291 -7.253 270 HG11 VAL 41 1HG1 VAL 41 -1.651 -3.482 -8.206 271 HG12 VAL 41 2HG1 VAL 41 -0.211 -3.383 -7.191 272 HG13 VAL 41 3HG1 VAL 41 -1.644 -4.234 -6.611 273 HG21 VAL 41 3HG2 VAL 41 -3.770 -2.608 -7.276 274 HG22 VAL 41 1HG2 VAL 41 -3.561 -2.744 -5.530 275 HG23 VAL 41 2HG2 VAL 41 -3.706 -1.154 -6.280 276 H PHE 42 H PHE 42 -0.643 0.633 -5.595 277 HA PHE 42 HA PHE 42 -2.473 1.521 -3.477 278 HB2 PHE 42 1HB PHE 42 -0.106 2.839 -4.801 279 HB3 PHE 42 2HB PHE 42 -1.229 3.730 -3.780 280 HD1 PHE 42 2HD PHE 42 0.772 0.581 -3.680 281 HD2 PHE 42 1HD PHE 42 -0.663 3.992 -1.577 282 HE1 PHE 42 2HE PHE 42 2.035 -0.120 -1.688 283 HE2 PHE 42 1HE PHE 42 0.599 3.297 0.418 284 HZ PHE 42 HZ PHE 42 1.949 1.238 0.364 285 H ILE 43 H ILE 43 -3.460 3.757 -3.951 286 HA ILE 43 HA ILE 43 -4.190 4.118 -6.751 287 HB ILE 43 HB ILE 43 -6.603 4.224 -6.218 288 HG12 ILE 43 1HG1 ILE 43 -5.958 2.819 -3.633 289 HG13 ILE 43 2HG1 ILE 43 -6.118 4.571 -3.711 290 HG21 ILE 43 1HG2 ILE 43 -5.978 2.236 -7.253 291 HG22 ILE 43 2HG2 ILE 43 -5.086 1.669 -5.842 292 HG23 ILE 43 3HG2 ILE 43 -6.849 1.692 -5.819 293 HD11 ILE 43 3HD1 ILE 43 -8.164 3.355 -2.980 294 HD12 ILE 43 1HD1 ILE 43 -8.393 4.406 -4.378 295 HD13 ILE 43 2HD1 ILE 43 -8.261 2.660 -4.598 296 H GLU 44 H GLU 44 -5.333 6.145 -7.141 297 HA GLU 44 HA GLU 44 -5.174 8.107 -4.979 298 HB2 GLU 44 1HB GLU 44 -3.059 8.434 -6.005 299 HB3 GLU 44 2HB GLU 44 -3.739 8.301 -7.620 300 HG2 GLU 44 1HG GLU 44 -5.059 10.409 -7.043 301 HG3 GLU 44 2HG GLU 44 -3.949 10.576 -5.684 302 H ARG 45 H ARG 45 -6.752 9.622 -5.039 303 HA ARG 45 HA ARG 45 -8.729 9.368 -7.182 304 HB2 ARG 45 1HB ARG 45 -8.859 10.551 -4.409 305 HB3 ARG 45 2HB ARG 45 -10.154 10.737 -5.584 306 HG2 ARG 45 1HG ARG 45 -10.792 8.552 -5.440 307 HG3 ARG 45 2HG ARG 45 -9.175 7.995 -5.001 308 HD2 ARG 45 1HD ARG 45 -9.427 8.657 -2.773 309 HD3 ARG 45 2HD ARG 45 -10.788 9.713 -3.147 310 HE ARG 45 HE ARG 45 -10.867 6.862 -2.681 311 HH11 ARG 45 1HH1 ARG 45 -12.510 9.640 -3.987 312 HH12 ARG 45 2HH1 ARG 45 -14.082 8.919 -3.889 313 HH21 ARG 45 1HH2 ARG 45 -12.932 5.902 -2.548 314 HH22 ARG 45 2HH2 ARG 45 -14.321 6.793 -3.070 315 H GLY 46 H GLY 46 -9.031 10.905 -8.667 316 HA2 GLY 46 1HA GLY 46 -7.436 13.349 -8.459 317 HA3 GLY 46 2HA GLY 46 -8.209 12.735 -9.913 318 HA PRO 47 HA PRO 47 -10.712 16.181 -7.809 319 HB2 PRO 47 1HB PRO 47 -10.212 18.157 -9.602 320 HB3 PRO 47 2HB PRO 47 -9.217 17.888 -8.166 321 HG2 PRO 47 1HG PRO 47 -8.726 17.043 -10.995 322 HG3 PRO 47 2HG PRO 47 -7.591 17.732 -9.821 323 HD2 PRO 47 1HD PRO 47 -7.699 15.081 -10.360 324 HD3 PRO 47 2HD PRO 47 -7.269 15.713 -8.757 325 H ASP 48 H ASP 48 -10.530 14.445 -10.666 326 HA ASP 48 HA ASP 48 -12.824 15.672 -11.950 327 HB2 ASP 48 1HB ASP 48 -11.199 14.886 -13.479 328 HB3 ASP 48 2HB ASP 48 -11.045 13.342 -12.645 329 H GLY 49 H GLY 49 -12.045 12.757 -10.127 330 HA2 GLY 49 1HA GLY 49 -14.064 12.124 -8.693 331 HA3 GLY 49 2HA GLY 49 -14.888 11.980 -10.239 332 H LYS 50 H LYS 50 -12.378 10.909 -11.477 333 HA LYS 50 HA LYS 50 -12.708 8.152 -10.520 334 HB2 LYS 50 1HB LYS 50 -11.630 9.187 -13.149 335 HB3 LYS 50 2HB LYS 50 -11.795 7.490 -12.719 336 HG2 LYS 50 1HG LYS 50 -14.284 8.040 -12.372 337 HG3 LYS 50 2HG LYS 50 -13.933 9.501 -13.298 338 HD2 LYS 50 1HD LYS 50 -12.995 8.040 -15.097 339 HD3 LYS 50 2HD LYS 50 -13.573 6.642 -14.188 340 HE2 LYS 50 1HE LYS 50 -15.447 8.864 -14.898 341 HE3 LYS 50 2HE LYS 50 -15.037 7.633 -16.092 342 HZ1 LYS 50 3HZ LYS 50 -16.016 6.919 -13.394 343 HZ2 LYS 50 1HZ LYS 50 -15.974 5.958 -14.786 344 HZ3 LYS 50 2HZ LYS 50 -17.080 7.233 -14.671 345 H LEU 51 H LEU 51 -10.969 6.885 -9.965 346 HA LEU 51 HA LEU 51 -8.473 8.338 -9.460 347 HB2 LEU 51 1HB LEU 51 -7.979 6.331 -7.998 348 HB3 LEU 51 2HB LEU 51 -9.283 7.396 -7.477 349 HG LEU 51 HG LEU 51 -10.905 5.758 -8.434 350 HD11 LEU 51 1HD1 LEU 51 -9.580 3.392 -8.505 351 HD12 LEU 51 2HD1 LEU 51 -8.393 4.473 -9.235 352 HD13 LEU 51 3HD1 LEU 51 -10.010 4.343 -9.927 353 HD21 LEU 51 3HD2 LEU 51 -10.462 4.014 -6.636 354 HD22 LEU 51 1HD2 LEU 51 -10.623 5.687 -6.102 355 HD23 LEU 51 2HD2 LEU 51 -9.024 4.954 -6.233 356 H GLN 52 H GLN 52 -6.533 7.696 -10.273 357 HA GLN 52 HA GLN 52 -6.276 5.170 -11.667 358 HB2 GLN 52 1HB GLN 52 -5.440 6.309 -13.749 359 HB3 GLN 52 2HB GLN 52 -7.170 6.452 -13.467 360 HG2 GLN 52 1HG GLN 52 -6.706 8.704 -12.450 361 HG3 GLN 52 2HG GLN 52 -5.057 8.546 -13.053 362 HE21 GLN 52 1HE2 GLN 52 -7.880 9.955 -13.692 363 HE22 GLN 52 2HE2 GLN 52 -7.813 10.042 -15.416 364 H TRP 53 H TRP 53 -4.529 4.470 -10.598 365 HA TRP 53 HA TRP 53 -2.042 5.919 -10.939 366 HB2 TRP 53 1HB TRP 53 -3.102 6.738 -8.779 367 HB3 TRP 53 2HB TRP 53 -2.871 5.108 -8.152 368 HD1 TRP 53 HD TRP 53 -0.162 6.633 -10.353 369 HE1 TRP 53 1HE TRP 53 1.925 7.081 -8.915 370 HE3 TRP 53 3HE TRP 53 -2.134 5.661 -5.738 371 HZ2 TRP 53 2HZ TRP 53 2.640 7.028 -6.184 372 HZ3 TRP 53 3HZ TRP 53 -0.682 5.882 -3.764 373 HH2 TRP 53 HH TRP 53 1.656 6.551 -3.985 374 H GLU 54 H GLU 54 -0.599 4.480 -11.597 375 HA GLU 54 HA GLU 54 -0.876 1.694 -10.679 376 HB2 GLU 54 1HB GLU 54 -1.243 2.005 -13.102 377 HB3 GLU 54 2HB GLU 54 0.361 2.708 -13.244 378 HG2 GLU 54 1HG GLU 54 1.302 0.558 -12.413 379 HG3 GLU 54 2HG GLU 54 -0.323 -0.121 -12.490 380 H GLU 55 H GLU 55 0.507 1.471 -9.021 381 HA GLU 55 HA GLU 55 3.339 1.933 -9.558 382 HB2 GLU 55 1HB GLU 55 1.763 3.201 -7.345 383 HB3 GLU 55 2HB GLU 55 3.460 2.813 -7.101 384 HG2 GLU 55 1HG GLU 55 3.729 4.105 -9.381 385 HG3 GLU 55 2HG GLU 55 2.211 4.842 -8.870 386 H GLU 56 H GLU 56 4.181 -0.029 -9.326 387 HA GLU 56 HA GLU 56 3.029 -1.964 -7.521 388 HB2 GLU 56 1HB GLU 56 4.050 -2.424 -9.839 389 HB3 GLU 56 2HB GLU 56 5.608 -2.301 -9.034 390 HG2 GLU 56 1HG GLU 56 4.623 -4.060 -7.407 391 HG3 GLU 56 2HG GLU 56 3.470 -4.357 -8.707 392 H ALA 57 H ALA 57 3.913 -2.765 -5.655 393 HA ALA 57 HA ALA 57 6.172 -1.231 -4.552 394 HB1 ALA 57 3HB ALA 57 4.078 -0.934 -3.334 395 HB2 ALA 57 1HB ALA 57 3.968 -2.677 -3.085 396 HB3 ALA 57 2HB ALA 57 5.279 -1.760 -2.341 397 H THR 58 H THR 58 7.943 -2.262 -3.785 398 HA THR 58 HA THR 58 8.569 -4.837 -4.674 399 HB THR 58 HB THR 58 9.898 -3.440 -2.349 400 HG1 THR 58 1HG THR 58 9.797 -2.027 -4.139 401 HG21 THR 58 3HG2 THR 58 11.778 -4.703 -3.970 402 HG22 THR 58 1HG2 THR 58 10.439 -5.845 -3.868 403 HG23 THR 58 2HG2 THR 58 11.205 -5.250 -2.395 404 H VAL 59 H VAL 59 7.152 -6.418 -4.047 405 HA VAL 59 HA VAL 59 6.485 -6.762 -1.243 406 HB VAL 59 HB VAL 59 5.728 -8.419 -3.654 407 HG11 VAL 59 1HG1 VAL 59 4.219 -9.608 -2.270 408 HG12 VAL 59 2HG1 VAL 59 5.771 -9.616 -1.430 409 HG13 VAL 59 3HG1 VAL 59 4.493 -8.517 -0.912 410 HG21 VAL 59 3HG2 VAL 59 3.639 -6.946 -2.247 411 HG22 VAL 59 1HG2 VAL 59 4.860 -5.905 -2.978 412 HG23 VAL 59 2HG2 VAL 59 3.977 -7.062 -3.974 413 H ASN 60 H ASN 60 7.612 -7.973 0.121 414 HA ASN 60 HA ASN 60 9.620 -9.817 -0.958 415 HB2 ASN 60 1HB ASN 60 10.089 -7.915 0.787 416 HB3 ASN 60 2HB ASN 60 9.444 -9.078 1.941 417 HD21 ASN 60 1HD2 ASN 60 11.824 -8.520 2.570 418 HD22 ASN 60 2HD2 ASN 60 12.994 -9.671 2.029 419 H ARG 61 H ARG 61 9.063 -11.882 -1.072 420 HA ARG 61 HA ARG 61 6.835 -12.950 0.372 421 HB2 ARG 61 1HB ARG 61 8.778 -13.966 -1.639 422 HB3 ARG 61 2HB ARG 61 7.951 -15.155 -0.641 423 HG2 ARG 61 1HG ARG 61 6.586 -15.001 -2.496 424 HG3 ARG 61 2HG ARG 61 5.801 -13.916 -1.347 425 HD2 ARG 61 1HD ARG 61 5.833 -12.728 -3.368 426 HD3 ARG 61 2HD ARG 61 7.163 -12.054 -2.428 427 HE ARG 61 HE ARG 61 7.932 -14.194 -4.196 428 HH11 ARG 61 1HH1 ARG 61 7.436 -10.763 -3.870 429 HH12 ARG 61 2HH1 ARG 61 8.500 -10.354 -5.175 430 HH21 ARG 61 1HH2 ARG 61 9.335 -13.667 -5.915 431 HH22 ARG 61 2HH2 ARG 61 9.579 -12.007 -6.338 432 H LEU 62 H LEU 62 10.352 -13.390 0.526 433 HA LEU 62 HA LEU 62 10.514 -15.370 2.437 434 HB2 LEU 62 1HB LEU 62 12.257 -13.060 1.720 435 HB3 LEU 62 2HB LEU 62 12.650 -14.019 3.145 436 HG LEU 62 HG LEU 62 12.270 -15.306 0.460 437 HD11 LEU 62 1HD1 LEU 62 15.032 -14.975 1.112 438 HD12 LEU 62 2HD1 LEU 62 14.250 -13.396 1.054 439 HD13 LEU 62 3HD1 LEU 62 14.162 -14.474 -0.339 440 HD21 LEU 62 3HD2 LEU 62 13.393 -17.119 1.388 441 HD22 LEU 62 1HD2 LEU 62 12.374 -16.552 2.712 442 HD23 LEU 62 2HD2 LEU 62 14.091 -16.149 2.686 443 H GLN 63 H GLN 63 10.146 -11.880 2.921 444 HA GLN 63 HA GLN 63 10.150 -12.103 5.786 445 HB2 GLN 63 1HB GLN 63 9.806 -9.905 3.807 446 HB3 GLN 63 2HB GLN 63 9.168 -9.654 5.426 447 HG2 GLN 63 1HG GLN 63 11.959 -10.634 5.120 448 HG3 GLN 63 2HG GLN 63 11.606 -8.937 4.799 449 HE21 GLN 63 1HE2 GLN 63 12.461 -7.934 6.505 450 HE22 GLN 63 2HE2 GLN 63 12.056 -8.257 8.153 451 H SER 64 H SER 64 7.697 -11.591 3.281 452 HA SER 64 HA SER 64 5.499 -11.277 5.005 453 HB2 SER 64 1HB SER 64 4.138 -11.485 3.090 454 HB3 SER 64 2HB SER 64 5.650 -10.815 2.476 455 HG SER 64 HG SER 64 4.468 -13.231 1.967 456 H ASN 65 H ASN 65 4.038 -12.700 5.866 457 HA ASN 65 HA ASN 65 4.605 -15.568 5.527 458 HB2 ASN 65 1HB ASN 65 5.475 -14.645 7.706 459 HB3 ASN 65 2HB ASN 65 3.808 -14.283 8.144 460 HD21 ASN 65 1HD2 ASN 65 2.735 -15.785 9.204 461 HD22 ASN 65 2HD2 ASN 65 3.155 -17.459 9.295 462 H GLU 66 H GLU 66 2.712 -16.885 6.543 463 HA GLU 66 HA GLU 66 0.452 -16.557 5.024 464 HB2 GLU 66 1HB GLU 66 1.083 -18.589 6.356 465 HB3 GLU 66 2HB GLU 66 0.477 -17.771 7.789 466 HG2 GLU 66 1HG GLU 66 -1.695 -17.526 6.334 467 HG3 GLU 66 2HG GLU 66 -1.008 -18.906 5.480 468 H VAL 67 H VAL 67 1.336 -14.885 7.909 469 HA VAL 67 HA VAL 67 -1.215 -13.423 7.811 470 HB VAL 67 HB VAL 67 -1.180 -13.206 10.267 471 HG11 VAL 67 1HG1 VAL 67 -1.704 -15.619 8.770 472 HG12 VAL 67 2HG1 VAL 67 -1.303 -15.980 10.451 473 HG13 VAL 67 3HG1 VAL 67 -2.631 -14.882 10.076 474 HG21 VAL 67 3HG2 VAL 67 1.437 -14.049 10.059 475 HG22 VAL 67 1HG2 VAL 67 0.516 -13.878 11.553 476 HG23 VAL 67 2HG2 VAL 67 0.612 -15.445 10.751 477 H THR 68 H THR 68 1.400 -12.817 6.672 478 HA THR 68 HA THR 68 1.681 -10.147 7.752 479 HB THR 68 HB THR 68 4.050 -12.028 7.730 480 HG1 THR 68 1HG THR 68 3.984 -11.317 10.048 481 HG21 THR 68 3HG2 THR 68 3.831 -9.113 7.691 482 HG22 THR 68 1HG2 THR 68 5.218 -10.148 7.353 483 HG23 THR 68 2HG2 THR 68 4.815 -9.728 9.018 484 H LEU 69 H LEU 69 2.366 -8.694 6.244 485 HA LEU 69 HA LEU 69 3.359 -9.742 3.684 486 HB2 LEU 69 1HB LEU 69 0.976 -8.057 4.213 487 HB3 LEU 69 2HB LEU 69 1.940 -7.677 2.787 488 HG LEU 69 HG LEU 69 0.676 -10.357 3.357 489 HD11 LEU 69 1HD1 LEU 69 -1.119 -9.783 2.088 490 HD12 LEU 69 2HD1 LEU 69 -0.214 -8.606 1.136 491 HD13 LEU 69 3HD1 LEU 69 -0.747 -8.198 2.767 492 HD21 LEU 69 3HD2 LEU 69 1.221 -10.755 0.958 493 HD22 LEU 69 1HD2 LEU 69 2.635 -10.613 2.003 494 HD23 LEU 69 2HD2 LEU 69 2.160 -9.262 0.973 495 H THR 70 H THR 70 5.406 -9.015 3.733 496 HA THR 70 HA THR 70 5.947 -6.276 4.603 497 HB THR 70 HB THR 70 7.927 -8.422 3.820 498 HG1 THR 70 1HG THR 70 7.079 -9.194 5.662 499 HG21 THR 70 3HG2 THR 70 9.541 -6.917 4.170 500 HG22 THR 70 1HG2 THR 70 8.812 -6.387 5.685 501 HG23 THR 70 2HG2 THR 70 8.281 -5.685 4.156 502 H LEU 71 H LEU 71 6.143 -4.679 3.186 503 HA LEU 71 HA LEU 71 7.231 -5.217 0.530 504 HB2 LEU 71 1HB LEU 71 5.458 -3.980 -0.578 505 HB3 LEU 71 2HB LEU 71 4.819 -5.392 0.261 506 HG LEU 71 HG LEU 71 4.719 -2.690 1.549 507 HD11 LEU 71 1HD1 LEU 71 3.746 -2.689 -0.826 508 HD12 LEU 71 2HD1 LEU 71 2.728 -2.110 0.492 509 HD13 LEU 71 3HD1 LEU 71 2.488 -3.731 -0.159 510 HD21 LEU 71 3HD2 LEU 71 3.633 -5.365 2.011 511 HD22 LEU 71 1HD2 LEU 71 2.440 -4.073 2.145 512 HD23 LEU 71 2HD2 LEU 71 3.897 -4.034 3.139 513 H THR 72 H THR 72 7.902 -3.267 -0.599 514 HA THR 72 HA THR 72 8.838 -1.244 1.290 515 HB THR 72 HB THR 72 9.616 -1.596 -1.610 516 HG1 THR 72 1HG THR 72 11.360 -2.759 -0.834 517 HG21 THR 72 3HG2 THR 72 11.279 -0.267 0.490 518 HG22 THR 72 1HG2 THR 72 9.975 0.631 -0.286 519 HG23 THR 72 2HG2 THR 72 11.287 -0.036 -1.258 520 H VAL 73 H VAL 73 7.460 0.391 1.586 521 HA VAL 73 HA VAL 73 5.379 1.218 0.013 522 HB VAL 73 HB VAL 73 7.129 2.994 1.720 523 HG11 VAL 73 1HG1 VAL 73 5.890 4.651 0.886 524 HG12 VAL 73 2HG1 VAL 73 4.773 3.530 0.105 525 HG13 VAL 73 3HG1 VAL 73 4.547 3.964 1.799 526 HG21 VAL 73 3HG2 VAL 73 4.848 2.527 3.134 527 HG22 VAL 73 1HG2 VAL 73 5.093 0.976 2.331 528 HG23 VAL 73 2HG2 VAL 73 6.364 1.652 3.350 529 HA PRO 74 HA PRO 74 7.440 2.801 -3.602 530 HB2 PRO 74 1HB PRO 74 5.189 3.648 -4.862 531 HB3 PRO 74 2HB PRO 74 5.669 1.948 -4.791 532 HG2 PRO 74 1HG PRO 74 3.668 3.422 -3.122 533 HG3 PRO 74 2HG PRO 74 3.547 1.810 -3.850 534 HD2 PRO 74 1HD PRO 74 4.149 2.188 -1.237 535 HD3 PRO 74 2HD PRO 74 4.788 0.824 -2.177 536 H GLU 75 H GLU 75 7.441 4.887 -4.825 537 HA GLU 75 HA GLU 75 7.254 7.108 -2.933 538 HB2 GLU 75 1HB GLU 75 9.364 7.166 -3.873 539 HB3 GLU 75 2HB GLU 75 8.798 6.598 -5.438 540 HG2 GLU 75 1HG GLU 75 8.167 8.687 -6.128 541 HG3 GLU 75 2HG GLU 75 7.921 9.275 -4.485 542 H TYR 76 H TYR 76 5.548 8.397 -2.975 543 HA TYR 76 HA TYR 76 3.436 8.266 -4.743 544 HB2 TYR 76 1HB TYR 76 3.339 9.384 -2.546 545 HB3 TYR 76 2HB TYR 76 4.331 10.695 -3.175 546 HD1 TYR 76 1HD TYR 76 1.404 8.904 -4.649 547 HD2 TYR 76 2HD TYR 76 3.004 12.592 -3.255 548 HE1 TYR 76 1HE TYR 76 -0.625 10.065 -5.411 549 HE2 TYR 76 2HE TYR 76 0.979 13.763 -4.013 550 HH TYR 76 HH TYR 76 -1.625 12.034 -5.693 551 H SER 77 H SER 77 2.745 9.526 -6.491 552 HA SER 77 HA SER 77 4.602 10.087 -8.461 553 HB2 SER 77 1HB SER 77 2.283 9.770 -9.035 554 HB3 SER 77 2HB SER 77 1.805 11.178 -8.086 555 HG SER 77 HG SER 77 3.700 11.640 -10.048 556 H ASN 78 H ASN 78 2.825 12.483 -6.501 557 HA ASN 78 HA ASN 78 4.631 14.584 -7.342 558 HB2 ASN 78 1HB ASN 78 2.282 14.593 -5.436 559 HB3 ASN 78 2HB ASN 78 3.204 16.025 -5.884 560 HD21 ASN 78 1HD2 ASN 78 0.960 16.657 -6.515 561 HD22 ASN 78 2HD2 ASN 78 0.460 16.289 -8.127 562 H LYS 79 H LYS 79 6.474 15.034 -6.352 563 HA LYS 79 HA LYS 79 6.831 14.157 -3.565 564 HB2 LYS 79 1HB LYS 79 8.718 14.420 -5.877 565 HB3 LYS 79 2HB LYS 79 9.336 14.529 -4.234 566 HG2 LYS 79 1HG LYS 79 7.586 12.230 -4.912 567 HG3 LYS 79 2HG LYS 79 9.235 12.240 -5.541 568 HD2 LYS 79 1HD LYS 79 8.586 12.691 -2.636 569 HD3 LYS 79 2HD LYS 79 8.901 11.091 -3.312 570 HE2 LYS 79 1HE LYS 79 11.121 11.520 -3.646 571 HE3 LYS 79 2HE LYS 79 10.865 13.251 -3.868 572 HZ1 LYS 79 3HZ LYS 79 10.851 13.628 -1.615 573 HZ2 LYS 79 1HZ LYS 79 11.991 12.383 -1.723 574 HZ3 LYS 79 2HZ LYS 79 10.411 12.042 -1.225 575 H ARG 80 H ARG 80 7.088 16.858 -5.773 576 HA ARG 80 HA ARG 80 8.262 18.603 -3.788 577 HB2 ARG 80 1HB ARG 80 8.030 20.344 -5.527 578 HB3 ARG 80 2HB ARG 80 8.879 18.920 -6.111 579 HG2 ARG 80 1HG ARG 80 6.846 18.154 -7.220 580 HG3 ARG 80 2HG ARG 80 5.986 19.575 -6.625 581 HD2 ARG 80 1HD ARG 80 7.398 21.034 -7.906 582 HD3 ARG 80 2HD ARG 80 8.434 19.688 -8.378 583 HE ARG 80 HE ARG 80 5.909 20.426 -9.540 584 HH11 ARG 80 1HH1 ARG 80 8.189 17.845 -9.034 585 HH12 ARG 80 2HH1 ARG 80 7.661 16.933 -10.409 586 HH21 ARG 80 1HH2 ARG 80 5.204 19.235 -11.353 587 HH22 ARG 80 2HH2 ARG 80 5.963 17.726 -11.728 588 H VAL 81 H VAL 81 6.092 17.686 -2.598 589 HA VAL 81 HA VAL 81 4.071 19.814 -2.881 590 HB VAL 81 HB VAL 81 2.487 18.242 -1.775 591 HG11 VAL 81 1HG1 VAL 81 3.716 17.728 -4.435 592 HG12 VAL 81 2HG1 VAL 81 2.512 16.589 -3.830 593 HG13 VAL 81 3HG1 VAL 81 2.095 18.291 -4.028 594 HG21 VAL 81 3HG2 VAL 81 4.271 16.848 -0.710 595 HG22 VAL 81 1HG2 VAL 81 3.015 15.923 -1.532 596 HG23 VAL 81 2HG2 VAL 81 4.589 16.145 -2.296 597 H SER 82 H SER 82 3.656 21.088 -1.176 598 HA SER 82 HA SER 82 5.341 20.885 1.145 599 HB2 SER 82 1HB SER 82 4.934 23.092 0.336 600 HB3 SER 82 2HB SER 82 3.188 22.839 0.326 601 HG SER 82 HG SER 82 4.915 23.292 2.490 602 H ARG 83 H ARG 83 2.131 19.958 0.299 603 HA ARG 83 HA ARG 83 1.530 19.372 3.122 604 HB2 ARG 83 1HB ARG 83 -0.384 19.687 0.803 605 HB3 ARG 83 2HB ARG 83 -0.838 19.337 2.465 606 HG2 ARG 83 1HG ARG 83 0.214 21.509 3.121 607 HG3 ARG 83 2HG ARG 83 0.406 21.858 1.401 608 HD2 ARG 83 1HD ARG 83 -2.280 21.052 2.396 609 HD3 ARG 83 2HD ARG 83 -1.708 22.681 2.754 610 HE ARG 83 HE ARG 83 -1.472 21.919 -0.016 611 HH11 ARG 83 1HH1 ARG 83 -3.510 23.338 2.425 612 HH12 ARG 83 2HH1 ARG 83 -4.477 24.220 1.290 613 HH21 ARG 83 1HH2 ARG 83 -2.738 23.076 -1.520 614 HH22 ARG 83 2HH2 ARG 83 -4.037 24.070 -0.954 615 HA PRO 84 HA PRO 84 1.687 15.058 2.312 616 HB2 PRO 84 1HB PRO 84 -0.143 14.148 4.100 617 HB3 PRO 84 2HB PRO 84 1.447 14.756 4.577 618 HG2 PRO 84 1HG PRO 84 -1.203 16.148 4.614 619 HG3 PRO 84 2HG PRO 84 0.082 16.157 5.836 620 HD2 PRO 84 1HD PRO 84 -0.276 18.190 4.084 621 HD3 PRO 84 2HD PRO 84 1.325 17.731 4.699 622 H VAL 85 H VAL 85 0.481 13.260 1.482 623 HA VAL 85 HA VAL 85 -2.100 14.019 0.275 624 HB VAL 85 HB VAL 85 0.014 12.230 -0.934 625 HG11 VAL 85 1HG1 VAL 85 -1.740 11.359 -2.019 626 HG12 VAL 85 2HG1 VAL 85 -2.815 12.668 -1.524 627 HG13 VAL 85 3HG1 VAL 85 -1.755 12.875 -2.919 628 HG21 VAL 85 3HG2 VAL 85 0.929 14.084 -1.749 629 HG22 VAL 85 1HG2 VAL 85 -0.581 14.432 -2.590 630 HG23 VAL 85 2HG2 VAL 85 -0.307 15.072 -0.970 631 H GLN 86 H GLN 86 -3.769 12.744 0.743 632 HA GLN 86 HA GLN 86 -3.282 10.298 2.250 633 HB2 GLN 86 1HB GLN 86 -4.913 11.946 3.100 634 HB3 GLN 86 2HB GLN 86 -5.878 11.725 1.647 635 HG2 GLN 86 1HG GLN 86 -5.282 9.626 3.720 636 HG3 GLN 86 2HG GLN 86 -6.808 10.483 3.508 637 HE21 GLN 86 1HE2 GLN 86 -5.337 7.649 2.965 638 HE22 GLN 86 2HE2 GLN 86 -6.211 7.105 1.577 639 H VAL 87 H VAL 87 -2.982 8.513 1.089 640 HA VAL 87 HA VAL 87 -4.727 8.061 -1.246 641 HB VAL 87 HB VAL 87 -2.945 6.641 -2.187 642 HG11 VAL 87 1HG1 VAL 87 -1.999 9.431 -1.540 643 HG12 VAL 87 2HG1 VAL 87 -1.473 8.433 -2.896 644 HG13 VAL 87 3HG1 VAL 87 -3.137 9.013 -2.820 645 HG21 VAL 87 3HG2 VAL 87 -1.817 5.966 -0.164 646 HG22 VAL 87 1HG2 VAL 87 -0.669 6.785 -1.223 647 HG23 VAL 87 2HG2 VAL 87 -1.343 7.632 0.170 648 H TYR 88 H TYR 88 -5.042 5.711 -1.750 649 HA TYR 88 HA TYR 88 -5.182 4.114 0.723 650 HB2 TYR 88 1HB TYR 88 -7.257 4.559 -1.403 651 HB3 TYR 88 2HB TYR 88 -7.269 3.087 -0.438 652 HD1 TYR 88 2HD TYR 88 -7.669 6.743 -0.349 653 HD2 TYR 88 1HD TYR 88 -7.926 3.123 1.873 654 HE1 TYR 88 2HE TYR 88 -8.881 7.929 1.432 655 HE2 TYR 88 1HE TYR 88 -9.140 4.299 3.660 656 HH TYR 88 HH TYR 88 -10.220 7.604 3.279 657 H PHE 89 H PHE 89 -5.233 1.780 0.385 658 HA PHE 89 HA PHE 89 -4.314 0.804 -2.193 659 HB2 PHE 89 1HB PHE 89 -2.351 -0.348 -1.154 660 HB3 PHE 89 2HB PHE 89 -2.208 1.407 -1.192 661 HD1 PHE 89 2HD PHE 89 -3.365 -1.332 1.055 662 HD2 PHE 89 1HD PHE 89 -1.557 2.507 0.719 663 HE1 PHE 89 2HE PHE 89 -2.951 -1.318 3.480 664 HE2 PHE 89 1HE PHE 89 -1.140 2.526 3.143 665 HZ PHE 89 HZ PHE 89 -1.838 0.613 4.528 666 H TYR 90 H TYR 90 -4.525 -1.448 -2.446 667 HA TYR 90 HA TYR 90 -5.914 -2.843 -0.259 668 HB2 TYR 90 1HB TYR 90 -7.420 -3.878 -1.904 669 HB3 TYR 90 2HB TYR 90 -7.583 -2.125 -1.899 670 HD1 TYR 90 2HD TYR 90 -6.387 -0.810 -3.723 671 HD2 TYR 90 1HD TYR 90 -6.914 -5.029 -3.884 672 HE1 TYR 90 2HE TYR 90 -5.985 -0.762 -6.149 673 HE2 TYR 90 1HE TYR 90 -6.513 -4.993 -6.310 674 HH TYR 90 HH TYR 90 -5.783 -1.956 -8.006 675 H VAL 91 H VAL 91 -6.030 -5.269 -0.736 676 HA VAL 91 HA VAL 91 -3.459 -6.136 -1.892 677 HB VAL 91 HB VAL 91 -4.957 -7.299 0.459 678 HG11 VAL 91 1HG1 VAL 91 -3.887 -8.988 -1.078 679 HG12 VAL 91 2HG1 VAL 91 -2.334 -8.260 -0.663 680 HG13 VAL 91 3HG1 VAL 91 -3.321 -9.009 0.592 681 HG21 VAL 91 3HG2 VAL 91 -3.742 -5.334 1.089 682 HG22 VAL 91 1HG2 VAL 91 -2.844 -6.739 1.664 683 HG23 VAL 91 2HG2 VAL 91 -2.307 -5.880 0.220 684 H SER 92 H SER 92 -3.445 -7.836 -3.281 685 HA SER 92 HA SER 92 -6.065 -8.819 -4.152 686 HB2 SER 92 1HB SER 92 -4.871 -7.915 -5.982 687 HB3 SER 92 2HB SER 92 -3.366 -8.691 -5.490 688 HG SER 92 HG SER 92 -5.633 -9.821 -6.715 689 H ASN 93 H ASN 93 -6.701 -10.710 -3.376 690 HA ASN 93 HA ASN 93 -4.690 -12.826 -3.002 691 HB2 ASN 93 1HB ASN 93 -6.893 -11.960 -1.146 692 HB3 ASN 93 2HB ASN 93 -6.264 -13.605 -1.096 693 HD21 ASN 93 1HD2 ASN 93 -5.273 -13.540 0.844 694 HD22 ASN 93 2HD2 ASN 93 -3.941 -12.507 1.221 695 H GLY 94 H GLY 94 -5.100 -14.135 -4.691 696 HA2 GLY 94 1HA GLY 94 -6.380 -16.062 -5.376 697 HA3 GLY 94 2HA GLY 94 -7.839 -15.202 -4.906 698 H ARG 95 H ARG 95 -9.026 -14.765 -6.633 699 HA ARG 95 HA ARG 95 -7.675 -13.677 -9.010 700 HB2 ARG 95 1HB ARG 95 -9.266 -14.882 -10.439 701 HB3 ARG 95 2HB ARG 95 -8.302 -15.991 -9.473 702 HG2 ARG 95 1HG ARG 95 -10.192 -16.182 -7.886 703 HG3 ARG 95 2HG ARG 95 -11.153 -15.169 -8.966 704 HD2 ARG 95 1HD ARG 95 -10.692 -16.858 -10.776 705 HD3 ARG 95 2HD ARG 95 -10.005 -17.895 -9.526 706 HE ARG 95 HE ARG 95 -12.664 -16.987 -8.932 707 HH11 ARG 95 1HH1 ARG 95 -10.766 -19.400 -10.573 708 HH12 ARG 95 2HH1 ARG 95 -12.020 -20.595 -10.542 709 HH21 ARG 95 1HH2 ARG 95 -14.323 -18.551 -8.885 710 HH22 ARG 95 2HH2 ARG 95 -14.044 -20.111 -9.582 711 H ARG 96 H ARG 96 -10.708 -13.956 -7.204 712 HA ARG 96 HA ARG 96 -11.540 -11.372 -8.351 713 HB2 ARG 96 1HB ARG 96 -13.082 -13.825 -7.620 714 HB3 ARG 96 2HB ARG 96 -13.868 -12.259 -7.471 715 HG2 ARG 96 1HG ARG 96 -12.553 -13.230 -9.996 716 HG3 ARG 96 2HG ARG 96 -14.267 -13.441 -9.632 717 HD2 ARG 96 1HD ARG 96 -14.384 -10.938 -9.327 718 HD3 ARG 96 2HD ARG 96 -12.756 -10.864 -10.000 719 HE ARG 96 HE ARG 96 -14.706 -12.258 -11.621 720 HH11 ARG 96 1HH1 ARG 96 -13.112 -9.243 -10.923 721 HH12 ARG 96 2HH1 ARG 96 -13.445 -8.556 -12.479 722 HH21 ARG 96 1HH2 ARG 96 -15.150 -11.366 -13.673 723 HH22 ARG 96 2HH2 ARG 96 -14.605 -9.765 -14.042 724 H LYS 97 H LYS 97 -11.047 -13.244 -5.459 725 HA LYS 97 HA LYS 97 -12.352 -11.548 -3.621 726 HB2 LYS 97 1HB LYS 97 -10.060 -13.484 -3.286 727 HB3 LYS 97 2HB LYS 97 -10.812 -12.639 -1.939 728 HG2 LYS 97 1HG LYS 97 -11.985 -14.580 -1.865 729 HG3 LYS 97 2HG LYS 97 -13.009 -13.674 -2.981 730 HD2 LYS 97 1HD LYS 97 -12.311 -14.882 -4.813 731 HD3 LYS 97 2HD LYS 97 -10.767 -15.312 -4.074 732 HE2 LYS 97 1HE LYS 97 -11.712 -17.010 -2.796 733 HE3 LYS 97 2HE LYS 97 -13.339 -16.346 -2.941 734 HZ1 LYS 97 3HZ LYS 97 -13.694 -17.479 -4.808 735 HZ2 LYS 97 1HZ LYS 97 -12.315 -18.380 -4.422 736 HZ3 LYS 97 2HZ LYS 97 -12.196 -17.058 -5.471 737 H ARG 98 H ARG 98 -11.827 -9.609 -2.856 738 HA ARG 98 HA ARG 98 -9.045 -8.690 -3.161 739 HB2 ARG 98 1HB ARG 98 -11.042 -7.676 -4.620 740 HB3 ARG 98 2HB ARG 98 -11.250 -6.695 -3.176 741 HG2 ARG 98 1HG ARG 98 -8.643 -6.358 -3.469 742 HG3 ARG 98 2HG ARG 98 -9.039 -6.727 -5.149 743 HD2 ARG 98 1HD ARG 98 -10.726 -4.750 -3.706 744 HD3 ARG 98 2HD ARG 98 -9.109 -4.255 -4.205 745 HE ARG 98 HE ARG 98 -10.378 -5.455 -6.389 746 HH11 ARG 98 1HH1 ARG 98 -10.636 -2.603 -4.410 747 HH12 ARG 98 2HH1 ARG 98 -11.322 -1.632 -5.670 748 HH21 ARG 98 1HH2 ARG 98 -11.280 -4.187 -8.057 749 HH22 ARG 98 2HH2 ARG 98 -11.689 -2.534 -7.744 750 H SER 99 H SER 99 -8.469 -6.898 -1.663 751 HA SER 99 HA SER 99 -9.678 -7.393 0.969 752 HB2 SER 99 1HB SER 99 -7.460 -7.853 1.322 753 HB3 SER 99 2HB SER 99 -6.920 -6.761 0.047 754 HG SER 99 HG SER 99 -6.384 -5.669 1.819 755 HA PRO 100 HA PRO 100 -11.250 -3.306 1.266 756 HB2 PRO 100 1HB PRO 100 -10.998 -2.846 3.930 757 HB3 PRO 100 2HB PRO 100 -12.203 -3.949 3.256 758 HG2 PRO 100 1HG PRO 100 -9.542 -4.568 4.481 759 HG3 PRO 100 2HG PRO 100 -11.096 -5.393 4.704 760 HD2 PRO 100 1HD PRO 100 -9.165 -6.344 3.061 761 HD3 PRO 100 2HD PRO 100 -10.895 -6.575 2.736 762 H THR 101 H THR 101 -10.384 -1.403 0.752 763 HA THR 101 HA THR 101 -7.660 -0.838 0.807 764 HB THR 101 HB THR 101 -8.231 1.456 0.256 765 HG1 THR 101 1HG THR 101 -10.939 0.786 0.829 766 HG21 THR 101 3HG2 THR 101 -8.561 0.485 -1.742 767 HG22 THR 101 1HG2 THR 101 -10.278 0.709 -1.410 768 HG23 THR 101 2HG2 THR 101 -9.503 -0.834 -1.047 769 H GLN 102 H GLN 102 -6.510 0.835 1.996 770 HA GLN 102 HA GLN 102 -7.520 1.180 4.742 771 HB2 GLN 102 1HB GLN 102 -4.677 0.640 3.868 772 HB3 GLN 102 2HB GLN 102 -5.163 1.037 5.511 773 HG2 GLN 102 1HG GLN 102 -5.734 -1.443 3.935 774 HG3 GLN 102 2HG GLN 102 -4.934 -1.282 5.498 775 HE21 GLN 102 1HE2 GLN 102 -7.385 -2.752 4.447 776 HE22 GLN 102 2HE2 GLN 102 -8.614 -2.377 5.601 777 H SER 103 H SER 103 -7.177 3.145 5.726 778 HA SER 103 HA SER 103 -6.774 5.376 3.970 779 HB2 SER 103 1HB SER 103 -7.201 6.743 5.986 780 HB3 SER 103 2HB SER 103 -8.430 5.497 5.767 781 HG SER 103 HG SER 103 -6.391 5.680 7.683 782 H PHE 104 H PHE 104 -4.740 5.694 3.278 783 HA PHE 104 HA PHE 104 -2.626 5.891 5.322 784 HB2 PHE 104 1HB PHE 104 -2.571 4.044 3.419 785 HB3 PHE 104 2HB PHE 104 -1.932 5.378 2.465 786 HD1 PHE 104 2HD PHE 104 -1.405 3.553 5.660 787 HD2 PHE 104 1HD PHE 104 0.324 5.888 2.549 788 HE1 PHE 104 2HE PHE 104 0.831 3.151 6.605 789 HE2 PHE 104 1HE PHE 104 2.562 5.489 3.489 790 HZ PHE 104 HZ PHE 104 2.818 4.120 5.521 791 H ARG 105 H ARG 105 -0.939 7.461 4.896 792 HA ARG 105 HA ARG 105 -1.513 9.523 2.929 793 HB2 ARG 105 1HB ARG 105 -2.833 10.186 4.907 794 HB3 ARG 105 2HB ARG 105 -1.370 10.151 5.883 795 HG2 ARG 105 1HG ARG 105 -0.429 11.908 4.358 796 HG3 ARG 105 2HG ARG 105 -2.033 12.030 3.633 797 HD2 ARG 105 1HD ARG 105 -1.699 13.741 5.343 798 HD3 ARG 105 2HD ARG 105 -2.979 12.618 5.801 799 HE ARG 105 HE ARG 105 -0.398 12.945 7.082 800 HH11 ARG 105 1HH1 ARG 105 -3.274 11.015 6.727 801 HH12 ARG 105 2HH1 ARG 105 -3.070 10.198 8.241 802 HH21 ARG 105 1HH2 ARG 105 -0.119 11.877 9.078 803 HH22 ARG 105 2HH2 ARG 105 -1.276 10.690 9.578 804 H PHE 106 H PHE 106 0.272 10.722 2.345 805 HA PHE 106 HA PHE 106 2.822 9.784 3.465 806 HB2 PHE 106 1HB PHE 106 2.268 11.108 0.801 807 HB3 PHE 106 2HB PHE 106 3.832 10.511 1.347 808 HD1 PHE 106 1HD PHE 106 3.284 7.930 2.462 809 HD2 PHE 106 2HD PHE 106 1.548 9.801 -0.944 810 HE1 PHE 106 1HE PHE 106 2.773 5.719 1.512 811 HE2 PHE 106 2HE PHE 106 1.033 7.593 -1.899 812 HZ PHE 106 HZ PHE 106 1.645 5.548 -0.670 813 H LEU 107 H LEU 107 4.069 11.135 4.580 814 HA LEU 107 HA LEU 107 3.257 13.922 4.816 815 HB2 LEU 107 1HB LEU 107 5.484 12.566 6.307 816 HB3 LEU 107 2HB LEU 107 4.596 14.019 6.759 817 HG LEU 107 HG LEU 107 3.216 11.362 6.592 818 HD11 LEU 107 1HD1 LEU 107 4.332 10.563 8.330 819 HD12 LEU 107 2HD1 LEU 107 3.831 11.959 9.284 820 HD13 LEU 107 3HD1 LEU 107 5.340 12.010 8.374 821 HD21 LEU 107 3HD2 LEU 107 2.234 13.844 6.937 822 HD22 LEU 107 1HD2 LEU 107 2.557 13.405 8.614 823 HD23 LEU 107 2HD2 LEU 107 1.498 12.397 7.628 824 HA PRO 108 HA PRO 108 6.408 15.449 2.143 825 HB2 PRO 108 1HB PRO 108 6.549 17.993 3.082 826 HB3 PRO 108 2HB PRO 108 5.204 17.406 2.096 827 HG2 PRO 108 1HG PRO 108 5.373 17.735 5.067 828 HG3 PRO 108 2HG PRO 108 4.041 18.144 3.969 829 HD2 PRO 108 1HD PRO 108 4.053 15.889 5.468 830 HD3 PRO 108 2HD PRO 108 3.289 15.968 3.867 831 H VAL 109 H VAL 109 8.535 15.138 2.235 832 HA VAL 109 HA VAL 109 9.931 14.892 4.705 833 HB VAL 109 HB VAL 109 11.023 15.026 1.891 834 HG11 VAL 109 1HG1 VAL 109 12.666 13.516 3.637 835 HG12 VAL 109 2HG1 VAL 109 13.053 15.013 2.787 836 HG13 VAL 109 3HG1 VAL 109 12.352 15.072 4.405 837 HG21 VAL 109 3HG2 VAL 109 10.942 12.475 3.359 838 HG22 VAL 109 1HG2 VAL 109 9.377 13.123 2.867 839 HG23 VAL 109 2HG2 VAL 109 10.625 12.818 1.659 840 H ILE 110 H ILE 110 9.520 17.449 2.372 841 HA ILE 110 HA ILE 110 11.575 19.135 2.629 842 HB ILE 110 HB ILE 110 8.680 19.939 2.939 843 HG12 ILE 110 1HG1 ILE 110 10.270 20.227 0.423 844 HG13 ILE 110 2HG1 ILE 110 9.638 18.640 0.846 845 HG21 ILE 110 1HG2 ILE 110 9.748 22.081 1.815 846 HG22 ILE 110 2HG2 ILE 110 9.707 21.876 3.565 847 HG23 ILE 110 3HG2 ILE 110 11.183 21.515 2.670 848 HD11 ILE 110 3HD1 ILE 110 8.004 21.145 0.519 849 HD12 ILE 110 1HD1 ILE 110 8.152 19.844 -0.663 850 HD13 ILE 110 2HD1 ILE 110 7.383 19.537 0.895 851 H CYS 111 H CYS 111 9.094 18.670 5.119 852 HA CYS 111 HA CYS 111 10.635 20.347 6.959 853 HB2 CYS 111 1HB CYS 111 8.108 20.607 6.624 854 HB3 CYS 111 2HB CYS 111 7.949 19.098 7.515 855 HG CYS 111 HG CYS 111 9.871 21.246 9.147 856 H LYS 112 H LYS 112 11.494 19.591 8.858 857 HA LYS 112 HA LYS 112 11.884 16.708 8.996 858 HB2 LYS 112 1HB LYS 112 13.706 18.568 9.244 859 HB3 LYS 112 2HB LYS 112 13.122 18.664 10.900 860 HG2 LYS 112 1HG LYS 112 14.870 17.179 11.081 861 HG3 LYS 112 2HG LYS 112 13.484 16.099 10.914 862 HD2 LYS 112 1HD LYS 112 13.975 16.046 8.440 863 HD3 LYS 112 2HD LYS 112 15.488 16.879 8.803 864 HE2 LYS 112 1HE LYS 112 14.720 14.318 10.170 865 HE3 LYS 112 2HE LYS 112 15.544 14.326 8.611 866 HZ1 LYS 112 3HZ LYS 112 16.540 15.178 11.241 867 HZ2 LYS 112 1HZ LYS 112 17.178 15.895 9.848 868 HZ3 LYS 112 2HZ LYS 112 17.294 14.222 10.066 869 H GLU 113 H GLU 113 11.666 15.547 11.014 870 HA GLU 113 HA GLU 113 9.179 15.956 12.255 871 HB2 GLU 113 1HB GLU 113 11.544 14.233 12.981 872 HB3 GLU 113 2HB GLU 113 10.057 14.233 13.919 873 HG2 GLU 113 1HG GLU 113 10.042 12.390 12.382 874 HG3 GLU 113 2HG GLU 113 8.814 13.561 11.907 875 H GLU 114 H GLU 114 12.475 16.702 13.301 876 HA GLU 114 HA GLU 114 11.924 17.496 15.915 877 HB2 GLU 114 1HB GLU 114 14.025 18.720 15.830 878 HB3 GLU 114 2HB GLU 114 14.198 17.161 15.036 879 HG2 GLU 114 1HG GLU 114 13.875 18.311 12.854 880 HG3 GLU 114 2HG GLU 114 13.902 19.847 13.718 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -9.390 -16.161 16.664 2 HA2 GLY 1 1HA GLY 1 -8.320 -15.005 14.197 3 HA3 GLY 1 2HA GLY 1 -8.429 -16.717 14.577 4 H SER 2 H SER 2 -9.367 -14.956 12.272 5 HA SER 2 HA SER 2 -12.230 -15.126 12.329 6 HB2 SER 2 1HB SER 2 -10.608 -13.543 10.946 7 HB3 SER 2 2HB SER 2 -10.739 -14.839 9.757 8 HG SER 2 HG SER 2 -13.175 -14.373 10.616 9 H SER 3 H SER 3 -13.384 -16.252 10.468 10 HA SER 3 HA SER 3 -12.443 -19.024 10.393 11 HB2 SER 3 1HB SER 3 -14.775 -18.421 11.208 12 HB3 SER 3 2HB SER 3 -15.156 -18.007 9.537 13 HG SER 3 HG SER 3 -14.726 -20.493 10.707 14 H GLY 4 H GLY 4 -13.830 -16.574 8.207 15 HA2 GLY 4 1HA GLY 4 -13.560 -16.238 5.953 16 HA3 GLY 4 2HA GLY 4 -12.031 -17.091 6.111 17 H SER 5 H SER 5 -15.120 -17.173 4.793 18 HA SER 5 HA SER 5 -15.427 -20.023 4.649 19 HB2 SER 5 1HB SER 5 -17.242 -19.423 2.978 20 HB3 SER 5 2HB SER 5 -17.438 -18.740 4.592 21 HG SER 5 HG SER 5 -16.047 -17.239 2.691 22 H SER 6 H SER 6 -13.802 -17.607 2.806 23 HA SER 6 HA SER 6 -13.028 -19.657 0.848 24 HB2 SER 6 1HB SER 6 -14.038 -16.878 0.307 25 HB3 SER 6 2HB SER 6 -12.949 -17.673 -0.829 26 HG SER 6 HG SER 6 -15.329 -17.943 -1.117 27 H GLY 7 H GLY 7 -11.589 -18.958 3.143 28 HA2 GLY 7 1HA GLY 7 -9.584 -18.051 3.879 29 HA3 GLY 7 2HA GLY 7 -9.024 -18.740 2.363 30 H LEU 8 H LEU 8 -11.141 -15.953 2.959 31 HA LEU 8 HA LEU 8 -9.779 -14.368 1.024 32 HB2 LEU 8 1HB LEU 8 -11.852 -13.699 3.102 33 HB3 LEU 8 2HB LEU 8 -11.227 -12.527 1.944 34 HG LEU 8 HG LEU 8 -12.409 -15.054 0.903 35 HD11 LEU 8 1HD1 LEU 8 -13.905 -13.999 2.728 36 HD12 LEU 8 2HD1 LEU 8 -14.613 -14.398 1.163 37 HD13 LEU 8 3HD1 LEU 8 -14.181 -12.729 1.535 38 HD21 LEU 8 3HD2 LEU 8 -11.761 -13.848 -0.892 39 HD22 LEU 8 1HD2 LEU 8 -11.825 -12.315 -0.023 40 HD23 LEU 8 2HD2 LEU 8 -13.310 -13.043 -0.637 41 HA PRO 9 HA PRO 9 -6.567 -12.602 3.453 42 HB2 PRO 9 1HB PRO 9 -6.224 -10.259 2.124 43 HB3 PRO 9 2HB PRO 9 -5.699 -11.817 1.476 44 HG2 PRO 9 1HG PRO 9 -8.172 -10.247 0.861 45 HG3 PRO 9 2HG PRO 9 -7.090 -11.109 -0.248 46 HD2 PRO 9 1HD PRO 9 -9.453 -12.142 0.579 47 HD3 PRO 9 2HD PRO 9 -8.042 -13.157 0.215 48 H GLN 10 H GLN 10 -6.278 -11.220 5.158 49 HA GLN 10 HA GLN 10 -8.303 -9.148 5.620 50 HB2 GLN 10 1HB GLN 10 -7.623 -11.461 7.384 51 HB3 GLN 10 2HB GLN 10 -8.056 -9.928 8.129 52 HG2 GLN 10 1HG GLN 10 -9.782 -11.267 6.072 53 HG3 GLN 10 2HG GLN 10 -9.918 -11.602 7.797 54 HE21 GLN 10 1HE2 GLN 10 -10.770 -9.530 5.257 55 HE22 GLN 10 2HE2 GLN 10 -11.591 -8.329 6.189 56 H VAL 11 H VAL 11 -7.638 -7.432 6.985 57 HA VAL 11 HA VAL 11 -4.762 -7.344 7.595 58 HB VAL 11 HB VAL 11 -6.344 -5.142 6.262 59 HG11 VAL 11 1HG1 VAL 11 -3.837 -5.133 7.784 60 HG12 VAL 11 2HG1 VAL 11 -3.745 -4.346 6.207 61 HG13 VAL 11 3HG1 VAL 11 -4.934 -3.809 7.394 62 HG21 VAL 11 3HG2 VAL 11 -3.858 -6.371 5.155 63 HG22 VAL 11 1HG2 VAL 11 -5.403 -7.198 4.953 64 HG23 VAL 11 2HG2 VAL 11 -5.185 -5.568 4.316 65 H GLU 12 H GLU 12 -5.024 -7.543 9.787 66 HA GLU 12 HA GLU 12 -6.989 -6.246 11.322 67 HB2 GLU 12 1HB GLU 12 -5.396 -8.211 11.930 68 HB3 GLU 12 2HB GLU 12 -4.286 -6.941 12.425 69 HG2 GLU 12 1HG GLU 12 -5.448 -7.641 14.358 70 HG3 GLU 12 2HG GLU 12 -6.095 -6.063 13.913 71 H ALA 13 H ALA 13 -3.514 -5.473 11.065 72 HA ALA 13 HA ALA 13 -4.159 -2.631 11.195 73 HB1 ALA 13 3HB ALA 13 -1.922 -3.115 12.929 74 HB2 ALA 13 1HB ALA 13 -3.439 -2.279 13.264 75 HB3 ALA 13 2HB ALA 13 -3.329 -4.026 13.477 76 H TYR 14 H TYR 14 -1.996 -1.340 11.051 77 HA TYR 14 HA TYR 14 0.094 -2.688 9.570 78 HB2 TYR 14 1HB TYR 14 -0.104 -1.103 7.634 79 HB3 TYR 14 2HB TYR 14 -1.415 -2.273 7.752 80 HD1 TYR 14 1HD TYR 14 -0.562 1.218 8.767 81 HD2 TYR 14 2HD TYR 14 -3.603 -1.524 7.610 82 HE1 TYR 14 1HE TYR 14 -2.196 3.056 8.726 83 HE2 TYR 14 2HE TYR 14 -5.245 0.306 7.565 84 HH TYR 14 HH TYR 14 -5.570 2.494 7.771 85 H SER 15 H SER 15 2.029 -1.623 9.647 86 HA SER 15 HA SER 15 2.112 1.131 10.600 87 HB2 SER 15 1HB SER 15 3.820 0.479 12.350 88 HB3 SER 15 2HB SER 15 2.168 -0.032 12.693 89 HG SER 15 HG SER 15 3.276 -1.847 13.020 90 HA PRO 16 HA PRO 16 3.868 2.387 11.486 91 HB2 PRO 16 1HB PRO 16 4.687 4.636 10.204 92 HB3 PRO 16 2HB PRO 16 5.791 3.582 11.095 93 HG2 PRO 16 1HG PRO 16 5.266 3.718 8.152 94 HG3 PRO 16 2HG PRO 16 6.812 3.563 9.006 95 HD2 PRO 16 1HD PRO 16 5.557 1.449 7.871 96 HD3 PRO 16 2HD PRO 16 6.546 1.298 9.338 97 H SER 17 H SER 17 2.048 3.606 11.733 98 HA SER 17 HA SER 17 -0.134 3.352 10.151 99 HB2 SER 17 1HB SER 17 -1.095 5.281 11.270 100 HB3 SER 17 2HB SER 17 -0.119 4.373 12.425 101 HG SER 17 HG SER 17 0.186 6.924 11.514 102 H ALA 18 H ALA 18 2.524 5.554 9.677 103 HA ALA 18 HA ALA 18 1.503 6.198 7.029 104 HB1 ALA 18 3HB ALA 18 1.742 8.159 9.236 105 HB2 ALA 18 1HB ALA 18 2.276 8.673 7.635 106 HB3 ALA 18 2HB ALA 18 0.621 8.111 7.875 107 H CYS 19 H CYS 19 3.158 7.401 5.730 108 HA CYS 19 HA CYS 19 5.895 7.209 6.661 109 HB2 CYS 19 1HB CYS 19 5.184 4.930 5.705 110 HB3 CYS 19 2HB CYS 19 5.172 5.731 4.138 111 HG CYS 19 HG CYS 19 7.658 4.307 5.579 112 H SER 20 H SER 20 7.435 7.959 4.898 113 HA SER 20 HA SER 20 6.493 10.457 3.900 114 HB2 SER 20 1HB SER 20 9.105 9.000 3.430 115 HB3 SER 20 2HB SER 20 8.782 10.664 2.944 116 HG SER 20 HG SER 20 8.638 9.695 5.609 117 H VAL 21 H VAL 21 6.590 11.161 1.669 118 HA VAL 21 HA VAL 21 5.202 9.434 -0.078 119 HB VAL 21 HB VAL 21 5.516 11.174 -1.783 120 HG11 VAL 21 1HG1 VAL 21 4.654 11.923 0.979 121 HG12 VAL 21 2HG1 VAL 21 4.621 13.123 -0.314 122 HG13 VAL 21 3HG1 VAL 21 3.677 11.640 -0.462 123 HG21 VAL 21 3HG2 VAL 21 7.625 12.045 0.100 124 HG22 VAL 21 1HG2 VAL 21 7.565 12.134 -1.661 125 HG23 VAL 21 2HG2 VAL 21 6.690 13.316 -0.687 126 H ARG 22 H ARG 22 8.592 10.168 0.335 127 HA ARG 22 HA ARG 22 9.543 9.180 -2.123 128 HB2 ARG 22 1HB ARG 22 11.724 9.031 -1.003 129 HB3 ARG 22 2HB ARG 22 10.924 10.559 -0.660 130 HG2 ARG 22 1HG ARG 22 10.513 10.004 1.542 131 HG3 ARG 22 2HG ARG 22 10.642 8.270 1.236 132 HD2 ARG 22 1HD ARG 22 12.583 8.987 2.455 133 HD3 ARG 22 2HD ARG 22 13.065 8.578 0.808 134 HE ARG 22 HE ARG 22 12.479 11.361 1.133 135 HH11 ARG 22 1HH1 ARG 22 14.919 8.914 1.553 136 HH12 ARG 22 2HH1 ARG 22 16.241 10.029 1.450 137 HH21 ARG 22 1HH2 ARG 22 14.211 12.839 0.995 138 HH22 ARG 22 2HH2 ARG 22 15.837 12.262 1.133 139 H GLY 23 H GLY 23 8.518 7.600 0.797 140 HA2 GLY 23 1HA GLY 23 8.134 5.374 1.233 141 HA3 GLY 23 2HA GLY 23 8.444 5.053 -0.466 142 H GLY 24 H GLY 24 9.837 3.393 -0.470 143 HA2 GLY 24 1HA GLY 24 11.773 2.204 -0.143 144 HA3 GLY 24 2HA GLY 24 12.539 3.758 0.157 145 H GLU 25 H GLU 25 9.933 2.324 2.053 146 HA GLU 25 HA GLU 25 11.828 2.009 4.287 147 HB2 GLU 25 1HB GLU 25 9.056 3.185 4.283 148 HB3 GLU 25 2HB GLU 25 9.802 2.575 5.754 149 HG2 GLU 25 1HG GLU 25 11.285 4.548 4.091 150 HG3 GLU 25 2HG GLU 25 9.961 5.102 5.114 151 H GLU 26 H GLU 26 10.777 0.622 6.085 152 HA GLU 26 HA GLU 26 9.878 -1.838 4.807 153 HB2 GLU 26 1HB GLU 26 11.782 -1.852 6.420 154 HB3 GLU 26 2HB GLU 26 10.663 -1.366 7.686 155 HG2 GLU 26 1HG GLU 26 9.392 -3.429 7.349 156 HG3 GLU 26 2HG GLU 26 10.533 -3.919 6.098 157 H LEU 27 H LEU 27 7.730 -1.796 4.451 158 HA LEU 27 HA LEU 27 5.951 -0.870 6.585 159 HB2 LEU 27 1HB LEU 27 5.546 0.072 4.398 160 HB3 LEU 27 2HB LEU 27 5.428 -1.538 3.693 161 HG LEU 27 HG LEU 27 3.385 -1.917 5.076 162 HD11 LEU 27 1HD1 LEU 27 4.244 0.431 6.353 163 HD12 LEU 27 2HD1 LEU 27 2.776 -0.495 6.663 164 HD13 LEU 27 3HD1 LEU 27 2.749 0.841 5.512 165 HD21 LEU 27 3HD2 LEU 27 1.930 -0.498 3.685 166 HD22 LEU 27 1HD2 LEU 27 3.196 -1.289 2.745 167 HD23 LEU 27 2HD2 LEU 27 3.346 0.418 3.165 168 H VAL 28 H VAL 28 5.102 -2.304 7.926 169 HA VAL 28 HA VAL 28 4.894 -5.108 7.058 170 HB VAL 28 HB VAL 28 4.969 -3.976 9.858 171 HG11 VAL 28 1HG1 VAL 28 5.319 -6.868 9.329 172 HG12 VAL 28 2HG1 VAL 28 4.585 -6.046 10.707 173 HG13 VAL 28 3HG1 VAL 28 3.685 -6.219 9.200 174 HG21 VAL 28 3HG2 VAL 28 7.062 -5.835 9.014 175 HG22 VAL 28 1HG2 VAL 28 7.064 -4.307 8.133 176 HG23 VAL 28 2HG2 VAL 28 7.185 -4.310 9.892 177 H LEU 29 H LEU 29 2.938 -5.857 6.614 178 HA LEU 29 HA LEU 29 0.598 -4.415 7.639 179 HB2 LEU 29 1HB LEU 29 0.924 -6.348 5.353 180 HB3 LEU 29 2HB LEU 29 -0.632 -5.715 5.886 181 HG LEU 29 HG LEU 29 1.544 -3.830 5.073 182 HD11 LEU 29 1HD1 LEU 29 -0.012 -4.091 2.830 183 HD12 LEU 29 2HD1 LEU 29 0.204 -5.762 3.351 184 HD13 LEU 29 3HD1 LEU 29 1.612 -4.746 3.040 185 HD21 LEU 29 3HD2 LEU 29 -0.861 -3.366 6.124 186 HD22 LEU 29 1HD2 LEU 29 -1.323 -3.470 4.425 187 HD23 LEU 29 2HD2 LEU 29 -0.118 -2.290 4.940 188 H THR 30 H THR 30 -0.456 -5.244 9.304 189 HA THR 30 HA THR 30 -0.016 -8.016 10.073 190 HB THR 30 HB THR 30 -1.579 -5.849 11.491 191 HG1 THR 30 1HG THR 30 1.115 -6.641 11.525 192 HG21 THR 30 3HG2 THR 30 -2.026 -8.390 11.930 193 HG22 THR 30 1HG2 THR 30 -1.840 -7.280 13.288 194 HG23 THR 30 2HG2 THR 30 -0.494 -8.309 12.799 195 H GLY 31 H GLY 31 -1.584 -9.586 10.185 196 HA2 GLY 31 1HA GLY 31 -4.320 -9.319 10.063 197 HA3 GLY 31 2HA GLY 31 -3.790 -9.321 8.388 198 H SER 32 H SER 32 -4.746 -11.267 7.860 199 HA SER 32 HA SER 32 -3.235 -13.609 8.542 200 HB2 SER 32 1HB SER 32 -5.183 -14.896 9.415 201 HB3 SER 32 2HB SER 32 -4.694 -13.581 10.483 202 HG SER 32 HG SER 32 -6.601 -12.756 10.244 203 H ASN 33 H ASN 33 -4.039 -15.545 7.364 204 HA ASN 33 HA ASN 33 -4.667 -16.575 5.437 205 HB2 ASN 33 1HB ASN 33 -6.818 -14.514 5.766 206 HB3 ASN 33 2HB ASN 33 -6.755 -15.474 4.291 207 HD21 ASN 33 1HD2 ASN 33 -7.901 -17.257 4.317 208 HD22 ASN 33 2HD2 ASN 33 -8.350 -18.163 5.717 209 H PHE 34 H PHE 34 -2.496 -15.059 5.116 210 HA PHE 34 HA PHE 34 -2.906 -13.375 2.759 211 HB2 PHE 34 1HB PHE 34 -0.635 -13.729 4.694 212 HB3 PHE 34 2HB PHE 34 -0.370 -12.966 3.130 213 HD1 PHE 34 1HD PHE 34 -2.769 -11.377 2.753 214 HD2 PHE 34 2HD PHE 34 -0.486 -12.062 6.280 215 HE1 PHE 34 1HE PHE 34 -3.544 -9.229 3.669 216 HE2 PHE 34 2HE PHE 34 -1.258 -9.916 7.201 217 HZ PHE 34 HZ PHE 34 -2.790 -8.497 5.896 218 H LEU 35 H LEU 35 -1.063 -13.564 1.088 219 HA LEU 35 HA LEU 35 -0.586 -16.419 0.532 220 HB2 LEU 35 1HB LEU 35 -1.469 -14.187 -1.246 221 HB3 LEU 35 2HB LEU 35 -0.552 -15.532 -1.921 222 HG LEU 35 HG LEU 35 -2.985 -16.141 -0.316 223 HD11 LEU 35 1HD1 LEU 35 -3.687 -15.911 -3.071 224 HD12 LEU 35 2HD1 LEU 35 -3.064 -14.363 -2.503 225 HD13 LEU 35 3HD1 LEU 35 -4.416 -15.128 -1.669 226 HD21 LEU 35 3HD2 LEU 35 -1.779 -18.027 -1.039 227 HD22 LEU 35 1HD2 LEU 35 -1.531 -17.353 -2.650 228 HD23 LEU 35 2HD2 LEU 35 -3.138 -17.888 -2.156 229 HA PRO 36 HA PRO 36 3.708 -15.514 0.283 230 HB2 PRO 36 1HB PRO 36 4.504 -17.438 -1.459 231 HB3 PRO 36 2HB PRO 36 4.043 -17.786 0.211 232 HG2 PRO 36 1HG PRO 36 2.435 -18.077 -2.297 233 HG3 PRO 36 2HG PRO 36 2.564 -19.182 -0.916 234 HD2 PRO 36 1HD PRO 36 0.466 -17.502 -1.246 235 HD3 PRO 36 2HD PRO 36 1.073 -17.969 0.356 236 H ASP 37 H ASP 37 1.633 -15.262 -2.417 237 HA ASP 37 HA ASP 37 3.642 -13.637 -3.814 238 HB2 ASP 37 1HB ASP 37 1.696 -15.466 -5.230 239 HB3 ASP 37 2HB ASP 37 2.987 -14.514 -5.958 240 H SER 38 H SER 38 1.401 -12.976 -2.028 241 HA SER 38 HA SER 38 -0.887 -12.103 -3.292 242 HB2 SER 38 1HB SER 38 0.611 -11.234 -0.871 243 HB3 SER 38 2HB SER 38 -0.636 -10.148 -1.482 244 HG SER 38 HG SER 38 -2.065 -12.005 -1.417 245 H LYS 39 H LYS 39 -1.485 -9.725 -3.618 246 HA LYS 39 HA LYS 39 0.693 -8.298 -4.991 247 HB2 LYS 39 1HB LYS 39 -2.117 -8.781 -5.984 248 HB3 LYS 39 2HB LYS 39 -1.042 -7.576 -6.680 249 HG2 LYS 39 1HG LYS 39 -0.734 -9.362 -8.092 250 HG3 LYS 39 2HG LYS 39 0.596 -9.574 -6.950 251 HD2 LYS 39 1HD LYS 39 -0.270 -11.707 -7.034 252 HD3 LYS 39 2HD LYS 39 -1.142 -11.037 -5.653 253 HE2 LYS 39 1HE LYS 39 -2.815 -12.067 -6.901 254 HE3 LYS 39 2HE LYS 39 -2.932 -10.374 -7.380 255 HZ1 LYS 39 3HZ LYS 39 -2.797 -11.147 -9.450 256 HZ2 LYS 39 1HZ LYS 39 -2.265 -12.675 -8.956 257 HZ3 LYS 39 2HZ LYS 39 -1.154 -11.414 -9.147 258 H VAL 40 H VAL 40 0.892 -6.218 -4.447 259 HA VAL 40 HA VAL 40 -1.359 -4.929 -3.046 260 HB VAL 40 HB VAL 40 1.587 -4.533 -2.501 261 HG11 VAL 40 1HG1 VAL 40 -0.204 -2.607 -2.236 262 HG12 VAL 40 2HG1 VAL 40 -0.550 -3.465 -0.733 263 HG13 VAL 40 3HG1 VAL 40 1.074 -2.851 -1.045 264 HG21 VAL 40 3HG2 VAL 40 0.774 -5.420 -0.197 265 HG22 VAL 40 1HG2 VAL 40 -0.556 -6.104 -1.132 266 HG23 VAL 40 2HG2 VAL 40 1.107 -6.562 -1.499 267 H VAL 41 H VAL 41 -2.144 -3.236 -4.095 268 HA VAL 41 HA VAL 41 -0.316 -1.623 -5.751 269 HB VAL 41 HB VAL 41 -1.957 -1.343 -7.446 270 HG11 VAL 41 1HG1 VAL 41 -1.077 -3.968 -6.658 271 HG12 VAL 41 2HG1 VAL 41 -2.616 -4.057 -7.516 272 HG13 VAL 41 3HG1 VAL 41 -1.228 -3.274 -8.272 273 HG21 VAL 41 3HG2 VAL 41 -4.202 -2.371 -7.300 274 HG22 VAL 41 1HG2 VAL 41 -3.851 -2.835 -5.635 275 HG23 VAL 41 2HG2 VAL 41 -3.936 -1.130 -6.076 276 H PHE 42 H PHE 42 -0.688 0.592 -5.805 277 HA PHE 42 HA PHE 42 -2.440 1.583 -3.665 278 HB2 PHE 42 1HB PHE 42 0.067 2.680 -4.919 279 HB3 PHE 42 2HB PHE 42 -1.004 3.700 -3.965 280 HD1 PHE 42 2HD PHE 42 0.579 0.329 -3.686 281 HD2 PHE 42 1HD PHE 42 -0.413 4.002 -1.778 282 HE1 PHE 42 2HE PHE 42 1.684 -0.445 -1.629 283 HE2 PHE 42 1HE PHE 42 0.691 3.234 0.283 284 HZ PHE 42 HZ PHE 42 1.741 1.007 0.360 285 H ILE 43 H ILE 43 -3.528 3.656 -4.026 286 HA ILE 43 HA ILE 43 -4.125 4.195 -6.853 287 HB ILE 43 HB ILE 43 -6.512 4.508 -6.278 288 HG12 ILE 43 1HG1 ILE 43 -5.818 3.136 -3.675 289 HG13 ILE 43 2HG1 ILE 43 -6.099 4.867 -3.825 290 HG21 ILE 43 1HG2 ILE 43 -6.129 1.734 -5.437 291 HG22 ILE 43 2HG2 ILE 43 -6.940 2.388 -6.859 292 HG23 ILE 43 3HG2 ILE 43 -5.188 2.192 -6.857 293 HD11 ILE 43 3HD1 ILE 43 -8.273 3.428 -5.001 294 HD12 ILE 43 1HD1 ILE 43 -7.982 2.852 -3.360 295 HD13 ILE 43 2HD1 ILE 43 -8.280 4.566 -3.654 296 H GLU 44 H GLU 44 -5.402 6.290 -7.075 297 HA GLU 44 HA GLU 44 -4.930 8.232 -4.969 298 HB2 GLU 44 1HB GLU 44 -2.825 8.389 -6.083 299 HB3 GLU 44 2HB GLU 44 -3.590 8.379 -7.666 300 HG2 GLU 44 1HG GLU 44 -4.727 10.562 -6.835 301 HG3 GLU 44 2HG GLU 44 -3.407 10.584 -5.668 302 H ARG 45 H ARG 45 -6.489 9.736 -4.914 303 HA ARG 45 HA ARG 45 -8.514 9.665 -7.013 304 HB2 ARG 45 1HB ARG 45 -8.507 10.940 -4.273 305 HB3 ARG 45 2HB ARG 45 -9.856 11.016 -5.398 306 HG2 ARG 45 1HG ARG 45 -10.438 8.838 -5.070 307 HG3 ARG 45 2HG ARG 45 -8.788 8.341 -4.688 308 HD2 ARG 45 1HD ARG 45 -8.930 9.220 -2.499 309 HD3 ARG 45 2HD ARG 45 -10.407 10.107 -2.872 310 HE ARG 45 HE ARG 45 -10.598 7.229 -3.106 311 HH11 ARG 45 1HH1 ARG 45 -11.015 10.024 -1.073 312 HH12 ARG 45 2HH1 ARG 45 -12.130 9.241 -0.002 313 HH21 ARG 45 1HH2 ARG 45 -12.065 6.187 -1.705 314 HH22 ARG 45 2HH2 ARG 45 -12.726 7.058 -0.362 315 H GLY 46 H GLY 46 -8.943 11.312 -8.378 316 HA2 GLY 46 1HA GLY 46 -7.198 13.680 -8.171 317 HA3 GLY 46 2HA GLY 46 -7.884 13.058 -9.666 318 HA PRO 47 HA PRO 47 -10.484 16.550 -7.788 319 HB2 PRO 47 1HB PRO 47 -9.921 18.453 -9.641 320 HB3 PRO 47 2HB PRO 47 -8.976 18.243 -8.162 321 HG2 PRO 47 1HG PRO 47 -8.389 17.285 -10.936 322 HG3 PRO 47 2HG PRO 47 -7.295 18.022 -9.752 323 HD2 PRO 47 1HD PRO 47 -7.386 15.351 -10.187 324 HD3 PRO 47 2HD PRO 47 -7.011 16.047 -8.598 325 H ASP 48 H ASP 48 -10.243 14.654 -10.513 326 HA ASP 48 HA ASP 48 -12.401 15.845 -12.020 327 HB2 ASP 48 1HB ASP 48 -10.932 13.222 -12.351 328 HB3 ASP 48 2HB ASP 48 -12.154 13.828 -13.465 329 H GLY 49 H GLY 49 -11.926 13.012 -9.949 330 HA2 GLY 49 1HA GLY 49 -14.061 12.730 -8.527 331 HA3 GLY 49 2HA GLY 49 -14.815 12.470 -10.093 332 H LYS 50 H LYS 50 -12.352 11.090 -11.074 333 HA LYS 50 HA LYS 50 -12.797 8.527 -9.690 334 HB2 LYS 50 1HB LYS 50 -12.205 7.447 -11.841 335 HB3 LYS 50 2HB LYS 50 -13.643 8.454 -11.956 336 HG2 LYS 50 1HG LYS 50 -11.905 10.271 -12.729 337 HG3 LYS 50 2HG LYS 50 -10.948 8.847 -13.145 338 HD2 LYS 50 1HD LYS 50 -13.099 8.029 -14.320 339 HD3 LYS 50 2HD LYS 50 -13.609 9.716 -14.219 340 HE2 LYS 50 1HE LYS 50 -12.004 10.430 -15.690 341 HE3 LYS 50 2HE LYS 50 -10.897 9.120 -15.287 342 HZ1 LYS 50 3HZ LYS 50 -13.389 8.833 -16.878 343 HZ2 LYS 50 1HZ LYS 50 -12.298 7.592 -16.512 344 HZ3 LYS 50 2HZ LYS 50 -11.820 8.870 -17.511 345 H LEU 51 H LEU 51 -11.048 7.237 -9.183 346 HA LEU 51 HA LEU 51 -8.480 8.620 -9.110 347 HB2 LEU 51 1HB LEU 51 -7.840 6.681 -7.629 348 HB3 LEU 51 2HB LEU 51 -9.097 7.753 -7.016 349 HG LEU 51 HG LEU 51 -10.794 6.079 -7.717 350 HD11 LEU 51 1HD1 LEU 51 -8.398 4.799 -8.813 351 HD12 LEU 51 2HD1 LEU 51 -10.091 4.633 -9.277 352 HD13 LEU 51 3HD1 LEU 51 -9.458 3.720 -7.908 353 HD21 LEU 51 3HD2 LEU 51 -10.202 4.414 -5.941 354 HD22 LEU 51 1HD2 LEU 51 -10.140 6.100 -5.428 355 HD23 LEU 51 2HD2 LEU 51 -8.647 5.231 -5.782 356 H GLN 52 H GLN 52 -6.627 7.878 -10.061 357 HA GLN 52 HA GLN 52 -6.591 5.320 -11.419 358 HB2 GLN 52 1HB GLN 52 -6.447 7.935 -12.919 359 HB3 GLN 52 2HB GLN 52 -5.904 6.404 -13.592 360 HG2 GLN 52 1HG GLN 52 -8.323 5.626 -12.935 361 HG3 GLN 52 2HG GLN 52 -8.660 7.355 -13.017 362 HE21 GLN 52 1HE2 GLN 52 -8.390 4.505 -14.752 363 HE22 GLN 52 2HE2 GLN 52 -8.400 5.168 -16.347 364 H TRP 53 H TRP 53 -4.777 4.578 -10.501 365 HA TRP 53 HA TRP 53 -2.284 5.927 -11.109 366 HB2 TRP 53 1HB TRP 53 -3.111 6.827 -8.877 367 HB3 TRP 53 2HB TRP 53 -2.867 5.204 -8.237 368 HD1 TRP 53 HD TRP 53 -0.403 6.847 -10.686 369 HE1 TRP 53 1HE TRP 53 1.849 7.163 -9.482 370 HE3 TRP 53 3HE TRP 53 -1.797 5.439 -5.974 371 HZ2 TRP 53 2HZ TRP 53 2.897 6.856 -6.879 372 HZ3 TRP 53 3HZ TRP 53 -0.110 5.478 -4.183 373 HH2 TRP 53 HH TRP 53 2.188 6.171 -4.629 374 H GLU 54 H GLU 54 -1.102 4.375 -11.996 375 HA GLU 54 HA GLU 54 -1.368 1.630 -10.975 376 HB2 GLU 54 1HB GLU 54 -1.859 2.035 -13.393 377 HB3 GLU 54 2HB GLU 54 -0.188 2.537 -13.605 378 HG2 GLU 54 1HG GLU 54 0.539 0.300 -12.849 379 HG3 GLU 54 2HG GLU 54 -1.153 -0.188 -12.769 380 H GLU 55 H GLU 55 0.097 1.402 -9.378 381 HA GLU 55 HA GLU 55 2.911 1.696 -10.106 382 HB2 GLU 55 1HB GLU 55 1.514 3.157 -7.917 383 HB3 GLU 55 2HB GLU 55 3.140 2.567 -7.601 384 HG2 GLU 55 1HG GLU 55 2.406 4.306 -9.942 385 HG3 GLU 55 2HG GLU 55 3.026 4.915 -8.408 386 H GLU 56 H GLU 56 3.841 -0.198 -9.754 387 HA GLU 56 HA GLU 56 2.636 -2.137 -7.984 388 HB2 GLU 56 1HB GLU 56 3.473 -3.009 -10.031 389 HB3 GLU 56 2HB GLU 56 5.024 -2.209 -9.821 390 HG2 GLU 56 1HG GLU 56 4.178 -4.194 -7.782 391 HG3 GLU 56 2HG GLU 56 4.716 -4.779 -9.355 392 H ALA 57 H ALA 57 3.440 -2.894 -6.073 393 HA ALA 57 HA ALA 57 5.703 -1.389 -4.935 394 HB1 ALA 57 3HB ALA 57 4.500 -2.369 -2.748 395 HB2 ALA 57 1HB ALA 57 4.077 -0.818 -3.473 396 HB3 ALA 57 2HB ALA 57 3.107 -2.249 -3.823 397 H THR 58 H THR 58 7.489 -2.481 -4.462 398 HA THR 58 HA THR 58 7.826 -5.202 -5.027 399 HB THR 58 HB THR 58 9.554 -3.550 -3.176 400 HG1 THR 58 1HG THR 58 9.690 -3.841 -6.012 401 HG21 THR 58 3HG2 THR 58 9.746 -6.229 -4.308 402 HG22 THR 58 1HG2 THR 58 10.664 -5.489 -2.997 403 HG23 THR 58 2HG2 THR 58 11.153 -5.229 -4.671 404 H VAL 59 H VAL 59 7.528 -7.014 -3.884 405 HA VAL 59 HA VAL 59 6.758 -6.737 -1.052 406 HB VAL 59 HB VAL 59 5.960 -8.886 -3.021 407 HG11 VAL 59 1HG1 VAL 59 4.417 -9.583 -1.167 408 HG12 VAL 59 2HG1 VAL 59 6.130 -9.881 -0.865 409 HG13 VAL 59 3HG1 VAL 59 5.324 -8.510 -0.102 410 HG21 VAL 59 3HG2 VAL 59 3.818 -7.927 -3.072 411 HG22 VAL 59 1HG2 VAL 59 4.151 -6.901 -1.677 412 HG23 VAL 59 2HG2 VAL 59 4.923 -6.561 -3.226 413 H ASN 60 H ASN 60 7.620 -8.124 0.470 414 HA ASN 60 HA ASN 60 9.972 -9.651 -0.424 415 HB2 ASN 60 1HB ASN 60 10.257 -7.692 1.194 416 HB3 ASN 60 2HB ASN 60 9.455 -8.704 2.392 417 HD21 ASN 60 1HD2 ASN 60 11.150 -8.987 3.745 418 HD22 ASN 60 2HD2 ASN 60 12.595 -9.831 3.318 419 H ARG 61 H ARG 61 9.664 -11.769 -0.496 420 HA ARG 61 HA ARG 61 7.494 -13.054 0.850 421 HB2 ARG 61 1HB ARG 61 9.749 -13.976 -0.896 422 HB3 ARG 61 2HB ARG 61 8.790 -15.155 -0.011 423 HG2 ARG 61 1HG ARG 61 7.633 -15.113 -1.965 424 HG3 ARG 61 2HG ARG 61 6.788 -13.827 -1.102 425 HD2 ARG 61 1HD ARG 61 7.200 -12.810 -3.122 426 HD3 ARG 61 2HD ARG 61 8.609 -12.302 -2.191 427 HE ARG 61 HE ARG 61 8.975 -14.729 -3.711 428 HH11 ARG 61 1HH1 ARG 61 9.226 -11.257 -3.692 429 HH12 ARG 61 2HH1 ARG 61 10.403 -11.204 -4.962 430 HH21 ARG 61 1HH2 ARG 61 10.525 -14.673 -5.383 431 HH22 ARG 61 2HH2 ARG 61 11.141 -13.148 -5.923 432 H LEU 62 H LEU 62 10.995 -12.918 1.312 433 HA LEU 62 HA LEU 62 11.373 -14.846 3.227 434 HB2 LEU 62 1HB LEU 62 12.641 -12.193 2.729 435 HB3 LEU 62 2HB LEU 62 13.086 -13.101 4.172 436 HG LEU 62 HG LEU 62 13.295 -14.250 1.398 437 HD11 LEU 62 1HD1 LEU 62 15.702 -13.283 2.830 438 HD12 LEU 62 2HD1 LEU 62 14.685 -12.080 2.038 439 HD13 LEU 62 3HD1 LEU 62 15.379 -13.402 1.100 440 HD21 LEU 62 3HD2 LEU 62 14.352 -16.021 2.355 441 HD22 LEU 62 1HD2 LEU 62 13.309 -15.568 3.703 442 HD23 LEU 62 2HD2 LEU 62 14.998 -15.061 3.687 443 H GLN 63 H GLN 63 10.446 -11.455 3.797 444 HA GLN 63 HA GLN 63 10.031 -11.916 6.608 445 HB2 GLN 63 1HB GLN 63 9.659 -9.570 4.774 446 HB3 GLN 63 2HB GLN 63 8.995 -9.539 6.402 447 HG2 GLN 63 1HG GLN 63 11.892 -10.031 5.757 448 HG3 GLN 63 2HG GLN 63 11.214 -8.463 6.192 449 HE21 GLN 63 1HE2 GLN 63 11.132 -7.942 8.267 450 HE22 GLN 63 2HE2 GLN 63 11.370 -9.029 9.588 451 H SER 64 H SER 64 7.965 -11.332 3.783 452 HA SER 64 HA SER 64 5.495 -11.232 5.012 453 HB2 SER 64 1HB SER 64 5.587 -10.763 2.688 454 HB3 SER 64 2HB SER 64 6.327 -12.321 2.323 455 HG SER 64 HG SER 64 4.329 -13.285 3.025 456 H ASN 65 H ASN 65 4.145 -12.658 5.938 457 HA ASN 65 HA ASN 65 4.770 -15.522 5.726 458 HB2 ASN 65 1HB ASN 65 5.611 -14.452 7.887 459 HB3 ASN 65 2HB ASN 65 3.917 -14.235 8.318 460 HD21 ASN 65 1HD2 ASN 65 4.111 -15.595 10.092 461 HD22 ASN 65 2HD2 ASN 65 4.239 -17.310 9.925 462 H GLU 66 H GLU 66 2.879 -16.800 6.846 463 HA GLU 66 HA GLU 66 0.612 -16.537 5.305 464 HB2 GLU 66 1HB GLU 66 1.056 -18.583 6.488 465 HB3 GLU 66 2HB GLU 66 0.935 -17.770 8.042 466 HG2 GLU 66 1HG GLU 66 -1.109 -18.754 7.959 467 HG3 GLU 66 2HG GLU 66 -1.490 -17.216 7.186 468 H VAL 67 H VAL 67 1.428 -14.930 8.290 469 HA VAL 67 HA VAL 67 -1.098 -13.423 8.110 470 HB VAL 67 HB VAL 67 -1.111 -13.203 10.557 471 HG11 VAL 67 1HG1 VAL 67 -1.716 -15.516 9.050 472 HG12 VAL 67 2HG1 VAL 67 -1.073 -16.053 10.603 473 HG13 VAL 67 3HG1 VAL 67 -2.460 -14.965 10.550 474 HG21 VAL 67 3HG2 VAL 67 0.714 -15.395 11.108 475 HG22 VAL 67 1HG2 VAL 67 1.528 -14.002 10.395 476 HG23 VAL 67 2HG2 VAL 67 0.586 -13.811 11.874 477 H THR 68 H THR 68 1.505 -12.804 6.980 478 HA THR 68 HA THR 68 1.787 -10.139 8.073 479 HB THR 68 HB THR 68 4.163 -12.010 8.027 480 HG1 THR 68 1HG THR 68 3.309 -10.640 10.319 481 HG21 THR 68 3HG2 THR 68 3.904 -9.053 8.495 482 HG22 THR 68 1HG2 THR 68 4.999 -9.905 7.408 483 HG23 THR 68 2HG2 THR 68 5.253 -9.979 9.151 484 H LEU 69 H LEU 69 2.754 -8.681 6.642 485 HA LEU 69 HA LEU 69 3.723 -9.689 4.083 486 HB2 LEU 69 1HB LEU 69 1.203 -8.184 4.503 487 HB3 LEU 69 2HB LEU 69 2.189 -7.740 3.112 488 HG LEU 69 HG LEU 69 1.037 -10.473 3.669 489 HD11 LEU 69 1HD1 LEU 69 0.312 -8.884 1.281 490 HD12 LEU 69 2HD1 LEU 69 -0.368 -8.371 2.825 491 HD13 LEU 69 3HD1 LEU 69 -0.655 -10.009 2.237 492 HD21 LEU 69 3HD2 LEU 69 1.967 -10.051 0.991 493 HD22 LEU 69 1HD2 LEU 69 2.429 -11.297 2.150 494 HD23 LEU 69 2HD2 LEU 69 3.276 -9.750 2.135 495 H THR 70 H THR 70 5.685 -8.789 4.068 496 HA THR 70 HA THR 70 5.973 -5.987 4.900 497 HB THR 70 HB THR 70 8.099 -8.097 4.484 498 HG1 THR 70 1HG THR 70 7.120 -8.564 6.385 499 HG21 THR 70 3HG2 THR 70 9.202 -6.079 5.982 500 HG22 THR 70 1HG2 THR 70 8.224 -5.194 4.812 501 HG23 THR 70 2HG2 THR 70 9.457 -6.324 4.254 502 H LEU 71 H LEU 71 6.095 -4.487 3.376 503 HA LEU 71 HA LEU 71 7.367 -5.156 0.815 504 HB2 LEU 71 1HB LEU 71 5.666 -4.091 -0.447 505 HB3 LEU 71 2HB LEU 71 4.881 -5.246 0.627 506 HG LEU 71 HG LEU 71 5.069 -2.366 1.416 507 HD11 LEU 71 1HD1 LEU 71 3.297 -3.560 -0.671 508 HD12 LEU 71 2HD1 LEU 71 4.108 -1.995 -0.646 509 HD13 LEU 71 3HD1 LEU 71 2.691 -2.270 0.368 510 HD21 LEU 71 3HD2 LEU 71 3.553 -4.778 2.195 511 HD22 LEU 71 1HD2 LEU 71 2.666 -3.253 2.212 512 HD23 LEU 71 2HD2 LEU 71 4.132 -3.430 3.176 513 H THR 72 H THR 72 7.702 -3.050 -0.494 514 HA THR 72 HA THR 72 8.786 -1.036 1.359 515 HB THR 72 HB THR 72 9.606 -1.533 -1.509 516 HG1 THR 72 1HG THR 72 11.291 -2.125 0.644 517 HG21 THR 72 3HG2 THR 72 10.703 0.222 0.682 518 HG22 THR 72 1HG2 THR 72 10.116 0.711 -0.906 519 HG23 THR 72 2HG2 THR 72 11.619 -0.200 -0.764 520 H VAL 73 H VAL 73 7.578 0.729 1.519 521 HA VAL 73 HA VAL 73 5.415 1.503 0.092 522 HB VAL 73 HB VAL 73 7.498 3.365 1.242 523 HG11 VAL 73 1HG1 VAL 73 4.915 4.480 1.388 524 HG12 VAL 73 2HG1 VAL 73 6.289 5.043 0.434 525 HG13 VAL 73 3HG1 VAL 73 5.131 3.912 -0.267 526 HG21 VAL 73 3HG2 VAL 73 4.929 2.388 2.479 527 HG22 VAL 73 1HG2 VAL 73 6.512 1.682 2.804 528 HG23 VAL 73 2HG2 VAL 73 6.187 3.358 3.244 529 HA PRO 74 HA PRO 74 6.985 2.328 -3.985 530 HB2 PRO 74 1HB PRO 74 4.641 3.220 -5.026 531 HB3 PRO 74 2HB PRO 74 4.980 1.507 -4.749 532 HG2 PRO 74 1HG PRO 74 3.406 3.423 -3.071 533 HG3 PRO 74 2HG PRO 74 3.032 1.743 -3.500 534 HD2 PRO 74 1HD PRO 74 4.076 2.436 -1.099 535 HD3 PRO 74 2HD PRO 74 4.438 0.886 -1.886 536 H GLU 75 H GLU 75 7.099 4.179 -5.473 537 HA GLU 75 HA GLU 75 7.462 6.644 -3.992 538 HB2 GLU 75 1HB GLU 75 8.202 5.712 -6.748 539 HB3 GLU 75 2HB GLU 75 8.280 7.419 -6.334 540 HG2 GLU 75 1HG GLU 75 10.023 7.131 -4.874 541 HG3 GLU 75 2HG GLU 75 9.624 5.443 -4.561 542 H TYR 76 H TYR 76 5.882 8.072 -3.786 543 HA TYR 76 HA TYR 76 3.487 7.967 -5.309 544 HB2 TYR 76 1HB TYR 76 3.610 8.781 -2.962 545 HB3 TYR 76 2HB TYR 76 4.482 10.201 -3.528 546 HD1 TYR 76 1HD TYR 76 1.490 8.469 -4.934 547 HD2 TYR 76 2HD TYR 76 3.077 12.018 -3.204 548 HE1 TYR 76 1HE TYR 76 -0.648 9.615 -5.337 549 HE2 TYR 76 2HE TYR 76 0.942 13.173 -3.602 550 HH TYR 76 HH TYR 76 -1.880 11.650 -4.250 551 H SER 77 H SER 77 2.655 9.486 -6.783 552 HA SER 77 HA SER 77 4.431 10.363 -8.758 553 HB2 SER 77 1HB SER 77 2.032 9.900 -9.160 554 HB3 SER 77 2HB SER 77 1.614 11.346 -8.241 555 HG SER 77 HG SER 77 3.420 11.625 -10.348 556 H ASN 78 H ASN 78 2.436 12.425 -6.634 557 HA ASN 78 HA ASN 78 4.237 14.657 -7.114 558 HB2 ASN 78 1HB ASN 78 1.557 14.370 -5.780 559 HB3 ASN 78 2HB ASN 78 2.517 15.832 -5.571 560 HD21 ASN 78 1HD2 ASN 78 2.145 17.392 -6.960 561 HD22 ASN 78 2HD2 ASN 78 1.476 17.211 -8.543 562 H LYS 79 H LYS 79 6.105 14.224 -6.000 563 HA LYS 79 HA LYS 79 5.934 13.593 -3.153 564 HB2 LYS 79 1HB LYS 79 8.256 13.684 -5.081 565 HB3 LYS 79 2HB LYS 79 8.442 13.389 -3.357 566 HG2 LYS 79 1HG LYS 79 6.738 11.475 -3.760 567 HG3 LYS 79 2HG LYS 79 7.213 11.652 -5.451 568 HD2 LYS 79 1HD LYS 79 9.636 11.535 -4.485 569 HD3 LYS 79 2HD LYS 79 8.843 10.782 -3.100 570 HE2 LYS 79 1HE LYS 79 9.280 8.918 -4.337 571 HE3 LYS 79 2HE LYS 79 7.702 9.339 -5.002 572 HZ1 LYS 79 3HZ LYS 79 9.785 8.865 -6.529 573 HZ2 LYS 79 1HZ LYS 79 10.050 10.517 -6.277 574 HZ3 LYS 79 2HZ LYS 79 8.598 9.988 -6.964 575 H ARG 80 H ARG 80 7.037 16.125 -5.335 576 HA ARG 80 HA ARG 80 8.179 17.740 -3.261 577 HB2 ARG 80 1HB ARG 80 7.572 18.144 -6.170 578 HB3 ARG 80 2HB ARG 80 8.006 19.519 -5.163 579 HG2 ARG 80 1HG ARG 80 10.026 17.993 -4.488 580 HG3 ARG 80 2HG ARG 80 9.657 17.199 -6.020 581 HD2 ARG 80 1HD ARG 80 11.112 18.782 -6.772 582 HD3 ARG 80 2HD ARG 80 9.612 19.702 -6.882 583 HE ARG 80 HE ARG 80 11.061 19.943 -4.383 584 HH11 ARG 80 1HH1 ARG 80 10.434 21.255 -7.546 585 HH12 ARG 80 2HH1 ARG 80 10.986 22.846 -7.139 586 HH21 ARG 80 1HH2 ARG 80 11.791 22.034 -3.835 587 HH22 ARG 80 2HH2 ARG 80 11.759 23.288 -5.028 588 H VAL 81 H VAL 81 5.789 17.139 -2.272 589 HA VAL 81 HA VAL 81 4.075 19.481 -2.768 590 HB VAL 81 HB VAL 81 2.300 18.176 -1.585 591 HG11 VAL 81 1HG1 VAL 81 3.489 17.521 -4.194 592 HG12 VAL 81 2HG1 VAL 81 2.354 16.329 -3.559 593 HG13 VAL 81 3HG1 VAL 81 1.843 18.002 -3.783 594 HG21 VAL 81 3HG2 VAL 81 2.575 15.835 -1.173 595 HG22 VAL 81 1HG2 VAL 81 4.181 15.843 -1.902 596 HG23 VAL 81 2HG2 VAL 81 3.901 16.682 -0.376 597 H SER 82 H SER 82 3.803 20.964 -1.221 598 HA SER 82 HA SER 82 5.406 20.948 1.106 599 HB2 SER 82 1HB SER 82 3.229 22.721 0.056 600 HB3 SER 82 2HB SER 82 3.792 22.932 1.713 601 HG SER 82 HG SER 82 5.322 24.060 0.825 602 H ARG 83 H ARG 83 2.132 19.948 0.465 603 HA ARG 83 HA ARG 83 1.768 19.355 3.327 604 HB2 ARG 83 1HB ARG 83 -0.296 19.829 1.170 605 HB3 ARG 83 2HB ARG 83 -0.674 19.306 2.806 606 HG2 ARG 83 1HG ARG 83 -1.047 21.607 2.820 607 HG3 ARG 83 2HG ARG 83 0.536 21.414 3.577 608 HD2 ARG 83 1HD ARG 83 1.646 22.341 1.809 609 HD3 ARG 83 2HD ARG 83 0.441 21.812 0.636 610 HE ARG 83 HE ARG 83 0.446 24.275 2.141 611 HH11 ARG 83 1HH1 ARG 83 -1.445 22.013 0.290 612 HH12 ARG 83 2HH1 ARG 83 -2.670 23.170 -0.116 613 HH21 ARG 83 1HH2 ARG 83 -1.160 25.807 1.613 614 HH22 ARG 83 2HH2 ARG 83 -2.507 25.327 0.637 615 HA PRO 84 HA PRO 84 1.750 15.049 2.470 616 HB2 PRO 84 1HB PRO 84 0.039 14.158 4.381 617 HB3 PRO 84 2HB PRO 84 1.673 14.726 4.744 618 HG2 PRO 84 1HG PRO 84 -0.934 16.175 4.993 619 HG3 PRO 84 2HG PRO 84 0.439 16.141 6.115 620 HD2 PRO 84 1HD PRO 84 -0.003 18.202 4.415 621 HD3 PRO 84 2HD PRO 84 1.628 17.700 4.904 622 H VAL 85 H VAL 85 0.711 13.680 1.133 623 HA VAL 85 HA VAL 85 -2.005 14.395 0.299 624 HB VAL 85 HB VAL 85 -0.113 12.452 -1.030 625 HG11 VAL 85 1HG1 VAL 85 -1.749 13.403 -2.965 626 HG12 VAL 85 2HG1 VAL 85 -2.043 11.917 -2.060 627 HG13 VAL 85 3HG1 VAL 85 -2.837 13.417 -1.578 628 HG21 VAL 85 3HG2 VAL 85 -0.133 14.582 -2.676 629 HG22 VAL 85 1HG2 VAL 85 -0.270 15.396 -1.118 630 HG23 VAL 85 2HG2 VAL 85 1.092 14.321 -1.434 631 H GLN 86 H GLN 86 -3.675 12.882 0.192 632 HA GLN 86 HA GLN 86 -3.352 10.618 2.020 633 HB2 GLN 86 1HB GLN 86 -5.157 12.188 2.529 634 HB3 GLN 86 2HB GLN 86 -5.851 11.927 0.934 635 HG2 GLN 86 1HG GLN 86 -7.148 10.630 2.373 636 HG3 GLN 86 2HG GLN 86 -6.060 9.484 1.591 637 HE21 GLN 86 1HE2 GLN 86 -6.419 8.041 3.325 638 HE22 GLN 86 2HE2 GLN 86 -5.623 8.258 4.842 639 H VAL 87 H VAL 87 -3.217 8.612 1.276 640 HA VAL 87 HA VAL 87 -4.395 7.985 -1.346 641 HB VAL 87 HB VAL 87 -2.463 6.480 -1.800 642 HG11 VAL 87 1HG1 VAL 87 -2.442 8.510 -2.976 643 HG12 VAL 87 2HG1 VAL 87 -2.034 9.441 -1.534 644 HG13 VAL 87 3HG1 VAL 87 -0.831 8.382 -2.272 645 HG21 VAL 87 3HG2 VAL 87 -0.672 7.890 0.030 646 HG22 VAL 87 1HG2 VAL 87 -1.850 6.856 0.839 647 HG23 VAL 87 2HG2 VAL 87 -0.763 6.175 -0.371 648 H TYR 88 H TYR 88 -4.253 5.456 -1.646 649 HA TYR 88 HA TYR 88 -4.764 4.055 0.863 650 HB2 TYR 88 1HB TYR 88 -6.753 3.926 -1.404 651 HB3 TYR 88 2HB TYR 88 -6.914 3.242 0.210 652 HD1 TYR 88 2HD TYR 88 -6.739 6.449 -1.649 653 HD2 TYR 88 1HD TYR 88 -7.861 4.496 1.961 654 HE1 TYR 88 2HE TYR 88 -7.875 8.498 -0.900 655 HE2 TYR 88 1HE TYR 88 -9.001 6.539 2.719 656 HH TYR 88 HH TYR 88 -8.979 9.494 0.748 657 H PHE 89 H PHE 89 -4.882 1.710 0.588 658 HA PHE 89 HA PHE 89 -3.962 0.614 -1.931 659 HB2 PHE 89 1HB PHE 89 -1.983 -0.477 -0.913 660 HB3 PHE 89 2HB PHE 89 -1.850 1.278 -0.934 661 HD1 PHE 89 2HD PHE 89 -2.627 -1.619 1.230 662 HD2 PHE 89 1HD PHE 89 -1.542 2.492 1.046 663 HE1 PHE 89 2HE PHE 89 -2.197 -1.628 3.653 664 HE2 PHE 89 1HE PHE 89 -1.108 2.490 3.468 665 HZ PHE 89 HZ PHE 89 -1.437 0.429 4.775 666 H TYR 90 H TYR 90 -4.045 -1.705 -1.998 667 HA TYR 90 HA TYR 90 -5.234 -3.080 0.269 668 HB2 TYR 90 1HB TYR 90 -7.159 -3.890 -0.987 669 HB3 TYR 90 2HB TYR 90 -7.170 -2.131 -0.935 670 HD1 TYR 90 2HD TYR 90 -5.980 -0.974 -3.004 671 HD2 TYR 90 1HD TYR 90 -7.557 -4.926 -3.012 672 HE1 TYR 90 2HE TYR 90 -6.142 -0.898 -5.457 673 HE2 TYR 90 1HE TYR 90 -7.722 -4.861 -5.465 674 HH TYR 90 HH TYR 90 -7.889 -3.172 -7.255 675 H VAL 91 H VAL 91 -5.687 -5.459 -0.409 676 HA VAL 91 HA VAL 91 -3.376 -6.362 -1.997 677 HB VAL 91 HB VAL 91 -4.842 -7.853 0.185 678 HG11 VAL 91 1HG1 VAL 91 -3.979 -9.474 -1.271 679 HG12 VAL 91 2HG1 VAL 91 -2.501 -8.554 -1.561 680 HG13 VAL 91 3HG1 VAL 91 -2.766 -9.331 0.001 681 HG21 VAL 91 3HG2 VAL 91 -2.855 -7.485 1.537 682 HG22 VAL 91 1HG2 VAL 91 -2.111 -6.571 0.225 683 HG23 VAL 91 2HG2 VAL 91 -3.547 -5.943 1.034 684 H SER 92 H SER 92 -3.765 -7.382 -3.843 685 HA SER 92 HA SER 92 -6.486 -8.378 -4.345 686 HB2 SER 92 1HB SER 92 -5.937 -6.732 -5.965 687 HB3 SER 92 2HB SER 92 -4.318 -7.391 -6.198 688 HG SER 92 HG SER 92 -5.132 -8.596 -7.698 689 H ASN 93 H ASN 93 -6.753 -10.497 -4.241 690 HA ASN 93 HA ASN 93 -4.548 -12.244 -5.107 691 HB2 ASN 93 1HB ASN 93 -6.405 -12.783 -2.778 692 HB3 ASN 93 2HB ASN 93 -5.084 -13.814 -3.323 693 HD21 ASN 93 1HD2 ASN 93 -5.191 -13.004 -0.737 694 HD22 ASN 93 2HD2 ASN 93 -3.930 -11.867 -0.418 695 H GLY 94 H GLY 94 -5.295 -12.937 -7.034 696 HA2 GLY 94 1HA GLY 94 -6.525 -14.663 -8.144 697 HA3 GLY 94 2HA GLY 94 -7.841 -14.408 -7.008 698 H ARG 95 H ARG 95 -9.551 -13.777 -8.151 699 HA ARG 95 HA ARG 95 -9.163 -11.639 -10.144 700 HB2 ARG 95 1HB ARG 95 -11.096 -13.955 -10.126 701 HB3 ARG 95 2HB ARG 95 -11.296 -12.561 -11.179 702 HG2 ARG 95 1HG ARG 95 -8.837 -13.120 -11.881 703 HG3 ARG 95 2HG ARG 95 -9.249 -14.719 -11.257 704 HD2 ARG 95 1HD ARG 95 -10.896 -13.233 -13.295 705 HD3 ARG 95 2HD ARG 95 -9.648 -14.407 -13.711 706 HE ARG 95 HE ARG 95 -11.242 -15.783 -12.018 707 HH11 ARG 95 1HH1 ARG 95 -11.860 -13.912 -14.888 708 HH12 ARG 95 2HH1 ARG 95 -13.238 -14.851 -15.361 709 HH21 ARG 95 1HH2 ARG 95 -13.054 -17.025 -12.629 710 HH22 ARG 95 2HH2 ARG 95 -13.917 -16.620 -14.074 711 H ARG 96 H ARG 96 -11.710 -13.062 -8.085 712 HA ARG 96 HA ARG 96 -12.670 -10.326 -7.562 713 HB2 ARG 96 1HB ARG 96 -14.897 -11.229 -7.277 714 HB3 ARG 96 2HB ARG 96 -14.262 -11.727 -8.839 715 HG2 ARG 96 1HG ARG 96 -13.692 -13.923 -7.878 716 HG3 ARG 96 2HG ARG 96 -14.419 -13.415 -6.352 717 HD2 ARG 96 1HD ARG 96 -15.924 -13.405 -8.956 718 HD3 ARG 96 2HD ARG 96 -15.872 -14.810 -7.893 719 HE ARG 96 HE ARG 96 -16.687 -12.868 -6.228 720 HH11 ARG 96 1HH1 ARG 96 -17.763 -13.838 -9.394 721 HH12 ARG 96 2HH1 ARG 96 -19.404 -13.349 -9.129 722 HH21 ARG 96 1HH2 ARG 96 -18.844 -12.220 -5.868 723 HH22 ARG 96 2HH2 ARG 96 -20.018 -12.428 -7.123 724 H LYS 97 H LYS 97 -10.591 -11.739 -6.106 725 HA LYS 97 HA LYS 97 -11.868 -11.752 -3.458 726 HB2 LYS 97 1HB LYS 97 -9.660 -13.651 -4.256 727 HB3 LYS 97 2HB LYS 97 -10.560 -13.636 -2.745 728 HG2 LYS 97 1HG LYS 97 -12.082 -13.994 -5.268 729 HG3 LYS 97 2HG LYS 97 -11.107 -15.342 -4.681 730 HD2 LYS 97 1HD LYS 97 -13.015 -13.892 -2.874 731 HD3 LYS 97 2HD LYS 97 -13.562 -15.197 -3.928 732 HE2 LYS 97 1HE LYS 97 -11.237 -15.536 -2.059 733 HE3 LYS 97 2HE LYS 97 -12.898 -15.797 -1.530 734 HZ1 LYS 97 3HZ LYS 97 -13.116 -17.650 -2.818 735 HZ2 LYS 97 1HZ LYS 97 -11.463 -17.750 -2.470 736 HZ3 LYS 97 2HZ LYS 97 -11.978 -17.147 -3.964 737 H ARG 98 H ARG 98 -11.135 -9.737 -2.895 738 HA ARG 98 HA ARG 98 -8.256 -9.539 -2.406 739 HB2 ARG 98 1HB ARG 98 -8.192 -7.233 -3.230 740 HB3 ARG 98 2HB ARG 98 -8.643 -8.352 -4.509 741 HG2 ARG 98 1HG ARG 98 -10.776 -6.969 -2.951 742 HG3 ARG 98 2HG ARG 98 -9.912 -6.099 -4.221 743 HD2 ARG 98 1HD ARG 98 -10.463 -8.113 -5.707 744 HD3 ARG 98 2HD ARG 98 -11.622 -8.555 -4.454 745 HE ARG 98 HE ARG 98 -11.850 -5.846 -5.438 746 HH11 ARG 98 1HH1 ARG 98 -12.889 -9.154 -5.750 747 HH12 ARG 98 2HH1 ARG 98 -14.373 -8.750 -6.548 748 HH21 ARG 98 1HH2 ARG 98 -13.800 -5.301 -6.489 749 HH22 ARG 98 2HH2 ARG 98 -14.889 -6.558 -6.969 750 H SER 99 H SER 99 -7.938 -7.269 -1.178 751 HA SER 99 HA SER 99 -9.854 -7.356 1.051 752 HB2 SER 99 1HB SER 99 -6.918 -6.906 0.878 753 HB3 SER 99 2HB SER 99 -7.796 -6.015 2.121 754 HG SER 99 HG SER 99 -6.945 -8.405 2.371 755 HA PRO 100 HA PRO 100 -11.172 -3.217 0.446 756 HB2 PRO 100 1HB PRO 100 -11.296 -2.253 2.980 757 HB3 PRO 100 2HB PRO 100 -12.444 -3.438 2.346 758 HG2 PRO 100 1HG PRO 100 -10.033 -3.868 4.067 759 HG3 PRO 100 2HG PRO 100 -11.644 -4.597 4.197 760 HD2 PRO 100 1HD PRO 100 -9.543 -5.895 3.086 761 HD3 PRO 100 2HD PRO 100 -11.214 -6.144 2.543 762 H THR 101 H THR 101 -10.600 -0.954 0.645 763 HA THR 101 HA THR 101 -7.758 -0.552 0.517 764 HB THR 101 HB THR 101 -8.424 1.874 0.141 765 HG1 THR 101 1HG THR 101 -11.034 0.948 -0.319 766 HG21 THR 101 3HG2 THR 101 -8.186 -0.116 -1.596 767 HG22 THR 101 1HG2 THR 101 -8.725 1.487 -2.095 768 HG23 THR 101 2HG2 THR 101 -9.905 0.204 -1.826 769 H GLN 102 H GLN 102 -6.437 0.299 2.013 770 HA GLN 102 HA GLN 102 -7.591 0.944 4.622 771 HB2 GLN 102 1HB GLN 102 -4.902 0.051 3.677 772 HB3 GLN 102 2HB GLN 102 -5.011 0.950 5.185 773 HG2 GLN 102 1HG GLN 102 -5.046 -1.358 5.720 774 HG3 GLN 102 2HG GLN 102 -6.672 -0.729 5.979 775 HE21 GLN 102 1HE2 GLN 102 -8.339 -1.550 4.837 776 HE22 GLN 102 2HE2 GLN 102 -8.192 -2.827 3.682 777 H SER 103 H SER 103 -7.405 2.905 5.587 778 HA SER 103 HA SER 103 -6.895 5.167 3.936 779 HB2 SER 103 1HB SER 103 -7.338 6.479 5.994 780 HB3 SER 103 2HB SER 103 -8.582 5.265 5.695 781 HG SER 103 HG SER 103 -6.461 5.163 7.571 782 H PHE 104 H PHE 104 -4.916 5.761 3.357 783 HA PHE 104 HA PHE 104 -2.822 5.833 5.424 784 HB2 PHE 104 1HB PHE 104 -2.581 3.947 3.706 785 HB3 PHE 104 2HB PHE 104 -2.244 5.214 2.531 786 HD1 PHE 104 2HD PHE 104 -1.018 3.458 5.499 787 HD2 PHE 104 1HD PHE 104 -0.176 6.441 2.582 788 HE1 PHE 104 2HE PHE 104 1.344 3.457 6.185 789 HE2 PHE 104 1HE PHE 104 2.188 6.444 3.263 790 HZ PHE 104 HZ PHE 104 2.951 4.952 5.067 791 H ARG 105 H ARG 105 -0.994 7.314 4.804 792 HA ARG 105 HA ARG 105 -1.633 9.429 2.939 793 HB2 ARG 105 1HB ARG 105 -2.888 10.198 4.853 794 HB3 ARG 105 2HB ARG 105 -1.511 9.936 5.914 795 HG2 ARG 105 1HG ARG 105 -0.275 11.680 4.660 796 HG3 ARG 105 2HG ARG 105 -1.742 11.992 3.729 797 HD2 ARG 105 1HD ARG 105 -1.481 12.230 6.725 798 HD3 ARG 105 2HD ARG 105 -1.461 13.577 5.587 799 HE ARG 105 HE ARG 105 -3.762 12.103 6.496 800 HH11 ARG 105 1HH1 ARG 105 -2.453 14.154 4.007 801 HH12 ARG 105 2HH1 ARG 105 -4.002 14.722 3.478 802 HH21 ARG 105 1HH2 ARG 105 -5.808 12.843 5.808 803 HH22 ARG 105 2HH2 ARG 105 -5.909 13.976 4.504 804 H PHE 106 H PHE 106 0.175 10.247 2.078 805 HA PHE 106 HA PHE 106 2.729 9.379 3.190 806 HB2 PHE 106 1HB PHE 106 2.054 10.674 0.541 807 HB3 PHE 106 2HB PHE 106 3.663 10.147 1.022 808 HD1 PHE 106 1HD PHE 106 3.402 7.576 2.127 809 HD2 PHE 106 2HD PHE 106 1.168 9.301 -1.058 810 HE1 PHE 106 1HE PHE 106 2.930 5.328 1.244 811 HE2 PHE 106 2HE PHE 106 0.692 7.057 -1.946 812 HZ PHE 106 HZ PHE 106 1.573 5.066 -0.794 813 H LEU 107 H LEU 107 4.008 10.686 4.313 814 HA LEU 107 HA LEU 107 3.296 13.478 4.613 815 HB2 LEU 107 1HB LEU 107 5.567 11.959 5.882 816 HB3 LEU 107 2HB LEU 107 4.929 13.523 6.383 817 HG LEU 107 HG LEU 107 3.299 10.994 6.472 818 HD11 LEU 107 1HD1 LEU 107 5.381 11.991 8.312 819 HD12 LEU 107 2HD1 LEU 107 4.801 10.350 8.030 820 HD13 LEU 107 3HD1 LEU 107 3.872 11.451 9.048 821 HD21 LEU 107 3HD2 LEU 107 2.890 13.813 7.169 822 HD22 LEU 107 1HD2 LEU 107 2.403 12.668 8.419 823 HD23 LEU 107 2HD2 LEU 107 1.715 12.549 6.799 824 HA PRO 108 HA PRO 108 6.224 15.086 1.750 825 HB2 PRO 108 1HB PRO 108 6.570 17.559 2.817 826 HB3 PRO 108 2HB PRO 108 5.104 17.082 1.953 827 HG2 PRO 108 1HG PRO 108 5.606 17.215 4.901 828 HG3 PRO 108 2HG PRO 108 4.182 17.739 3.984 829 HD2 PRO 108 1HD PRO 108 4.262 15.394 5.335 830 HD3 PRO 108 2HD PRO 108 3.334 15.601 3.836 831 H VAL 109 H VAL 109 8.406 15.238 1.505 832 HA VAL 109 HA VAL 109 10.030 14.794 3.901 833 HB VAL 109 HB VAL 109 10.739 14.474 0.981 834 HG11 VAL 109 1HG1 VAL 109 12.624 13.091 2.336 835 HG12 VAL 109 2HG1 VAL 109 12.830 14.752 1.775 836 HG13 VAL 109 3HG1 VAL 109 12.350 14.435 3.443 837 HG21 VAL 109 3HG2 VAL 109 9.721 12.504 1.147 838 HG22 VAL 109 1HG2 VAL 109 10.926 12.037 2.347 839 HG23 VAL 109 2HG2 VAL 109 9.402 12.760 2.862 840 H ILE 110 H ILE 110 9.526 17.061 1.296 841 HA ILE 110 HA ILE 110 11.697 18.584 1.077 842 HB ILE 110 HB ILE 110 8.949 19.689 1.669 843 HG12 ILE 110 1HG1 ILE 110 10.197 19.422 -1.048 844 HG13 ILE 110 2HG1 ILE 110 9.384 18.046 -0.310 845 HG21 ILE 110 1HG2 ILE 110 10.750 21.221 -0.056 846 HG22 ILE 110 2HG2 ILE 110 9.680 21.763 1.236 847 HG23 ILE 110 3HG2 ILE 110 11.272 21.111 1.625 848 HD11 ILE 110 3HD1 ILE 110 8.232 20.076 -1.811 849 HD12 ILE 110 1HD1 ILE 110 7.397 18.842 -0.867 850 HD13 ILE 110 2HD1 ILE 110 7.754 20.411 -0.146 851 H CYS 111 H CYS 111 13.112 19.567 2.357 852 HA CYS 111 HA CYS 111 12.705 19.650 5.195 853 HB2 CYS 111 1HB CYS 111 14.960 20.682 3.465 854 HB3 CYS 111 2HB CYS 111 14.978 20.685 5.224 855 HG CYS 111 HG CYS 111 16.508 18.557 4.820 856 H LYS 112 H LYS 112 11.978 21.281 6.397 857 HA LYS 112 HA LYS 112 11.291 23.786 5.073 858 HB2 LYS 112 1HB LYS 112 9.788 22.353 6.686 859 HB3 LYS 112 2HB LYS 112 10.669 23.210 7.944 860 HG2 LYS 112 1HG LYS 112 9.384 24.740 5.726 861 HG3 LYS 112 2HG LYS 112 8.411 24.145 7.074 862 HD2 LYS 112 1HD LYS 112 9.431 25.526 8.597 863 HD3 LYS 112 2HD LYS 112 10.935 25.608 7.676 864 HE2 LYS 112 1HE LYS 112 9.986 27.125 6.109 865 HE3 LYS 112 2HE LYS 112 8.363 26.870 6.749 866 HZ1 LYS 112 3HZ LYS 112 8.800 28.138 8.602 867 HZ2 LYS 112 1HZ LYS 112 9.681 28.969 7.421 868 HZ3 LYS 112 2HZ LYS 112 10.476 27.937 8.498 869 H GLU 113 H GLU 113 12.464 25.574 5.267 870 HA GLU 113 HA GLU 113 14.927 25.872 6.256 871 HB2 GLU 113 1HB GLU 113 13.795 27.656 5.047 872 HB3 GLU 113 2HB GLU 113 12.738 27.951 6.420 873 HG2 GLU 113 1HG GLU 113 15.719 28.228 6.606 874 HG3 GLU 113 2HG GLU 113 14.675 29.549 6.085 875 H GLU 114 H GLU 114 15.803 25.372 8.145 876 HA GLU 114 HA GLU 114 14.211 25.471 10.576 877 HB2 GLU 114 1HB GLU 114 16.825 24.258 9.797 878 HB3 GLU 114 2HB GLU 114 16.529 24.591 11.498 879 HG2 GLU 114 1HG GLU 114 14.431 23.259 11.319 880 HG3 GLU 114 2HG GLU 114 14.915 22.818 9.683 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -6.066 -24.283 11.742 2 HA2 GLY 1 1HA GLY 1 -7.414 -26.277 10.539 3 HA3 GLY 1 2HA GLY 1 -7.764 -25.796 12.193 4 H SER 2 H SER 2 -8.563 -24.952 8.832 5 HA SER 2 HA SER 2 -10.517 -24.324 7.850 6 HB2 SER 2 1HB SER 2 -11.438 -25.905 10.204 7 HB3 SER 2 2HB SER 2 -12.638 -24.942 9.342 8 HG SER 2 HG SER 2 -12.364 -27.124 8.545 9 H SER 3 H SER 3 -9.136 -22.361 9.229 10 HA SER 3 HA SER 3 -11.330 -20.710 10.303 11 HB2 SER 3 1HB SER 3 -8.421 -20.779 11.123 12 HB3 SER 3 2HB SER 3 -9.538 -19.504 11.609 13 HG SER 3 HG SER 3 -10.581 -20.875 12.890 14 H GLY 4 H GLY 4 -11.766 -19.917 8.191 15 HA2 GLY 4 1HA GLY 4 -10.262 -17.575 7.531 16 HA3 GLY 4 2HA GLY 4 -10.008 -18.861 6.361 17 H SER 5 H SER 5 -12.045 -16.337 7.372 18 HA SER 5 HA SER 5 -14.529 -17.103 6.373 19 HB2 SER 5 1HB SER 5 -13.212 -14.399 6.611 20 HB3 SER 5 2HB SER 5 -14.867 -14.591 6.034 21 HG SER 5 HG SER 5 -15.377 -15.581 8.013 22 H SER 6 H SER 6 -14.887 -17.906 4.412 23 HA SER 6 HA SER 6 -14.673 -18.304 2.163 24 HB2 SER 6 1HB SER 6 -15.096 -15.341 2.427 25 HB3 SER 6 2HB SER 6 -14.923 -16.077 0.834 26 HG SER 6 HG SER 6 -16.970 -16.491 1.039 27 H GLY 7 H GLY 7 -12.135 -17.925 3.632 28 HA2 GLY 7 1HA GLY 7 -9.890 -17.687 3.202 29 HA3 GLY 7 2HA GLY 7 -10.321 -18.154 1.563 30 H LEU 8 H LEU 8 -11.163 -15.226 3.384 31 HA LEU 8 HA LEU 8 -10.041 -13.642 1.185 32 HB2 LEU 8 1HB LEU 8 -12.002 -12.947 3.363 33 HB3 LEU 8 2HB LEU 8 -11.355 -11.777 2.214 34 HG LEU 8 HG LEU 8 -13.031 -14.183 1.498 35 HD11 LEU 8 1HD1 LEU 8 -14.669 -12.877 2.322 36 HD12 LEU 8 2HD1 LEU 8 -14.489 -12.033 0.785 37 HD13 LEU 8 3HD1 LEU 8 -13.695 -11.409 2.231 38 HD21 LEU 8 3HD2 LEU 8 -12.297 -13.860 -0.571 39 HD22 LEU 8 1HD2 LEU 8 -11.329 -12.480 -0.054 40 HD23 LEU 8 2HD2 LEU 8 -13.008 -12.245 -0.538 41 HA PRO 9 HA PRO 9 -6.659 -12.293 3.659 42 HB2 PRO 9 1HB PRO 9 -6.093 -9.965 2.381 43 HB3 PRO 9 2HB PRO 9 -5.717 -11.552 1.699 44 HG2 PRO 9 1HG PRO 9 -8.029 -9.741 1.118 45 HG3 PRO 9 2HG PRO 9 -7.031 -10.678 -0.009 46 HD2 PRO 9 1HD PRO 9 -9.482 -11.500 0.796 47 HD3 PRO 9 2HD PRO 9 -8.174 -12.636 0.410 48 H GLN 10 H GLN 10 -6.661 -11.382 5.610 49 HA GLN 10 HA GLN 10 -8.466 -9.111 6.101 50 HB2 GLN 10 1HB GLN 10 -8.705 -11.339 7.386 51 HB3 GLN 10 2HB GLN 10 -7.259 -10.833 8.249 52 HG2 GLN 10 1HG GLN 10 -8.451 -8.737 8.874 53 HG3 GLN 10 2HG GLN 10 -9.909 -9.418 8.156 54 HE21 GLN 10 1HE2 GLN 10 -10.867 -9.209 10.246 55 HE22 GLN 10 2HE2 GLN 10 -10.565 -10.396 11.465 56 H VAL 11 H VAL 11 -7.744 -7.376 7.421 57 HA VAL 11 HA VAL 11 -4.822 -7.164 7.709 58 HB VAL 11 HB VAL 11 -6.654 -4.994 6.678 59 HG11 VAL 11 1HG1 VAL 11 -4.095 -4.128 6.288 60 HG12 VAL 11 2HG1 VAL 11 -5.141 -3.635 7.620 61 HG13 VAL 11 3HG1 VAL 11 -3.974 -4.937 7.850 62 HG21 VAL 11 3HG2 VAL 11 -5.299 -7.080 5.331 63 HG22 VAL 11 1HG2 VAL 11 -6.181 -5.721 4.634 64 HG23 VAL 11 2HG2 VAL 11 -4.454 -5.577 4.961 65 H GLU 12 H GLU 12 -4.907 -7.522 9.920 66 HA GLU 12 HA GLU 12 -6.698 -6.333 11.712 67 HB2 GLU 12 1HB GLU 12 -4.923 -8.248 12.023 68 HB3 GLU 12 2HB GLU 12 -3.883 -6.927 12.535 69 HG2 GLU 12 1HG GLU 12 -5.145 -6.477 14.410 70 HG3 GLU 12 2HG GLU 12 -6.592 -7.233 13.744 71 H ALA 13 H ALA 13 -3.267 -5.457 11.263 72 HA ALA 13 HA ALA 13 -3.968 -2.633 11.422 73 HB1 ALA 13 3HB ALA 13 -3.631 -3.252 13.752 74 HB2 ALA 13 1HB ALA 13 -2.044 -3.913 13.361 75 HB3 ALA 13 2HB ALA 13 -2.343 -2.182 13.198 76 H TYR 14 H TYR 14 -1.792 -1.316 11.305 77 HA TYR 14 HA TYR 14 0.265 -2.630 9.742 78 HB2 TYR 14 1HB TYR 14 0.057 -1.015 7.860 79 HB3 TYR 14 2HB TYR 14 -1.321 -2.102 7.994 80 HD1 TYR 14 1HD TYR 14 -0.220 1.295 9.093 81 HD2 TYR 14 2HD TYR 14 -3.454 -1.207 7.916 82 HE1 TYR 14 1HE TYR 14 -1.733 3.233 9.154 83 HE2 TYR 14 2HE TYR 14 -4.976 0.724 7.972 84 HH TYR 14 HH TYR 14 -5.103 2.964 8.126 85 H SER 15 H SER 15 2.161 -1.345 9.470 86 HA SER 15 HA SER 15 2.312 1.281 10.631 87 HB2 SER 15 1HB SER 15 3.301 -1.126 12.114 88 HB3 SER 15 2HB SER 15 4.190 0.392 12.245 89 HG SER 15 HG SER 15 1.568 -0.215 13.060 90 HA PRO 16 HA PRO 16 4.037 2.566 11.434 91 HB2 PRO 16 1HB PRO 16 4.803 4.804 10.101 92 HB3 PRO 16 2HB PRO 16 5.936 3.783 10.994 93 HG2 PRO 16 1HG PRO 16 5.365 3.858 8.057 94 HG3 PRO 16 2HG PRO 16 6.926 3.742 8.890 95 HD2 PRO 16 1HD PRO 16 5.686 1.590 7.812 96 HD3 PRO 16 2HD PRO 16 6.699 1.479 9.266 97 H SER 17 H SER 17 2.178 3.703 11.693 98 HA SER 17 HA SER 17 -0.014 3.406 10.154 99 HB2 SER 17 1HB SER 17 -0.199 4.421 12.329 100 HB3 SER 17 2HB SER 17 0.736 5.824 11.811 101 HG SER 17 HG SER 17 -0.952 6.476 10.543 102 H ALA 18 H ALA 18 2.551 5.734 9.642 103 HA ALA 18 HA ALA 18 1.472 6.283 6.983 104 HB1 ALA 18 3HB ALA 18 2.084 8.749 7.370 105 HB2 ALA 18 1HB ALA 18 0.574 8.147 8.054 106 HB3 ALA 18 2HB ALA 18 1.990 8.355 9.086 107 H CYS 19 H CYS 19 3.128 7.712 5.744 108 HA CYS 19 HA CYS 19 5.879 7.326 6.561 109 HB2 CYS 19 1HB CYS 19 4.966 5.213 5.313 110 HB3 CYS 19 2HB CYS 19 5.143 6.213 3.877 111 HG CYS 19 HG CYS 19 7.345 4.301 4.953 112 H SER 20 H SER 20 7.367 8.118 4.686 113 HA SER 20 HA SER 20 6.415 10.755 3.982 114 HB2 SER 20 1HB SER 20 9.088 9.387 3.629 115 HB3 SER 20 2HB SER 20 8.764 11.038 3.101 116 HG SER 20 HG SER 20 8.371 11.610 5.232 117 H VAL 21 H VAL 21 6.309 11.611 1.887 118 HA VAL 21 HA VAL 21 5.164 9.996 -0.069 119 HB VAL 21 HB VAL 21 5.631 11.901 -1.644 120 HG11 VAL 21 1HG1 VAL 21 4.192 13.515 -0.404 121 HG12 VAL 21 2HG1 VAL 21 3.571 11.863 -0.419 122 HG13 VAL 21 3HG1 VAL 21 4.362 12.496 1.025 123 HG21 VAL 21 3HG2 VAL 21 6.501 13.635 0.562 124 HG22 VAL 21 1HG2 VAL 21 7.705 12.474 0.005 125 HG23 VAL 21 2HG2 VAL 21 6.992 13.618 -1.132 126 H ARG 22 H ARG 22 8.410 10.249 0.817 127 HA ARG 22 HA ARG 22 9.556 9.693 -1.762 128 HB2 ARG 22 1HB ARG 22 11.657 9.389 -0.510 129 HB3 ARG 22 2HB ARG 22 10.859 10.902 -0.104 130 HG2 ARG 22 1HG ARG 22 10.096 10.030 1.979 131 HG3 ARG 22 2HG ARG 22 10.628 8.402 1.551 132 HD2 ARG 22 1HD ARG 22 12.575 10.676 1.652 133 HD3 ARG 22 2HD ARG 22 12.098 9.834 3.126 134 HE ARG 22 HE ARG 22 13.010 8.133 0.971 135 HH11 ARG 22 1HH1 ARG 22 13.860 9.914 3.839 136 HH12 ARG 22 2HH1 ARG 22 15.291 8.988 4.148 137 HH21 ARG 22 1HH2 ARG 22 14.893 6.907 1.367 138 HH22 ARG 22 2HH2 ARG 22 15.878 7.279 2.740 139 H GLY 23 H GLY 23 8.505 7.843 1.025 140 HA2 GLY 23 1HA GLY 23 8.029 5.591 1.189 141 HA3 GLY 23 2HA GLY 23 8.426 5.431 -0.516 142 H GLY 24 H GLY 24 9.859 3.825 -0.670 143 HA2 GLY 24 1HA GLY 24 11.704 2.515 -0.256 144 HA3 GLY 24 2HA GLY 24 12.508 4.051 0.036 145 H GLU 25 H GLU 25 9.915 2.520 1.905 146 HA GLU 25 HA GLU 25 11.801 2.236 4.148 147 HB2 GLU 25 1HB GLU 25 9.137 3.582 4.067 148 HB3 GLU 25 2HB GLU 25 9.605 2.736 5.536 149 HG2 GLU 25 1HG GLU 25 11.810 4.131 5.253 150 HG3 GLU 25 2HG GLU 25 10.759 5.182 4.305 151 H GLU 26 H GLU 26 10.861 0.792 5.904 152 HA GLU 26 HA GLU 26 9.853 -1.618 4.612 153 HB2 GLU 26 1HB GLU 26 11.857 -1.464 6.272 154 HB3 GLU 26 2HB GLU 26 10.609 -1.435 7.510 155 HG2 GLU 26 1HG GLU 26 9.900 -3.589 7.028 156 HG3 GLU 26 2HG GLU 26 10.634 -3.577 5.426 157 H LEU 27 H LEU 27 7.757 -2.044 4.600 158 HA LEU 27 HA LEU 27 6.098 -1.030 6.814 159 HB2 LEU 27 1HB LEU 27 5.594 0.039 4.674 160 HB3 LEU 27 2HB LEU 27 5.314 -1.543 3.947 161 HG LEU 27 HG LEU 27 3.426 -1.821 5.618 162 HD11 LEU 27 1HD1 LEU 27 4.411 0.234 6.935 163 HD12 LEU 27 2HD1 LEU 27 2.677 -0.084 6.897 164 HD13 LEU 27 3HD1 LEU 27 3.371 1.144 5.839 165 HD21 LEU 27 3HD2 LEU 27 3.199 0.415 3.605 166 HD22 LEU 27 1HD2 LEU 27 1.871 -0.542 4.263 167 HD23 LEU 27 2HD2 LEU 27 3.086 -1.308 3.240 168 H VAL 28 H VAL 28 5.050 -2.482 8.009 169 HA VAL 28 HA VAL 28 4.852 -5.240 6.985 170 HB VAL 28 HB VAL 28 5.166 -4.340 9.852 171 HG11 VAL 28 1HG1 VAL 28 4.732 -7.046 8.619 172 HG12 VAL 28 2HG1 VAL 28 5.461 -6.843 10.214 173 HG13 VAL 28 3HG1 VAL 28 3.821 -6.268 9.913 174 HG21 VAL 28 3HG2 VAL 28 7.285 -5.859 9.493 175 HG22 VAL 28 1HG2 VAL 28 7.052 -5.400 7.806 176 HG23 VAL 28 2HG2 VAL 28 7.300 -4.157 9.032 177 H LEU 29 H LEU 29 2.870 -6.033 6.756 178 HA LEU 29 HA LEU 29 0.636 -4.593 8.008 179 HB2 LEU 29 1HB LEU 29 0.594 -6.526 5.695 180 HB3 LEU 29 2HB LEU 29 -0.770 -5.587 6.297 181 HG LEU 29 HG LEU 29 1.644 -4.130 5.335 182 HD11 LEU 29 1HD1 LEU 29 0.401 -4.156 3.052 183 HD12 LEU 29 2HD1 LEU 29 -0.255 -5.685 3.634 184 HD13 LEU 29 3HD1 LEU 29 1.489 -5.480 3.473 185 HD21 LEU 29 3HD2 LEU 29 0.086 -2.430 4.824 186 HD22 LEU 29 1HD2 LEU 29 -0.388 -3.065 6.400 187 HD23 LEU 29 2HD2 LEU 29 -1.281 -3.538 4.954 188 H THR 30 H THR 30 -0.663 -5.559 9.450 189 HA THR 30 HA THR 30 -0.075 -8.351 10.141 190 HB THR 30 HB THR 30 -1.577 -6.310 11.789 191 HG1 THR 30 1HG THR 30 0.680 -5.791 11.428 192 HG21 THR 30 3HG2 THR 30 -1.210 -9.130 12.040 193 HG22 THR 30 1HG2 THR 30 -2.066 -8.029 13.118 194 HG23 THR 30 2HG2 THR 30 -0.342 -8.325 13.347 195 H GLY 31 H GLY 31 -1.593 -9.921 10.045 196 HA2 GLY 31 1HA GLY 31 -4.349 -9.638 10.192 197 HA3 GLY 31 2HA GLY 31 -3.932 -9.485 8.492 198 H SER 32 H SER 32 -4.786 -11.357 7.727 199 HA SER 32 HA SER 32 -3.294 -13.744 8.067 200 HB2 SER 32 1HB SER 32 -4.921 -15.151 9.157 201 HB3 SER 32 2HB SER 32 -4.634 -13.750 10.189 202 HG SER 32 HG SER 32 -6.571 -12.948 8.770 203 H ASN 33 H ASN 33 -4.226 -15.562 6.805 204 HA ASN 33 HA ASN 33 -5.239 -16.447 4.963 205 HB2 ASN 33 1HB ASN 33 -7.259 -15.110 6.032 206 HB3 ASN 33 2HB ASN 33 -7.032 -14.082 4.620 207 HD21 ASN 33 1HD2 ASN 33 -6.685 -15.478 2.547 208 HD22 ASN 33 2HD2 ASN 33 -7.867 -16.717 2.314 209 H PHE 34 H PHE 34 -2.896 -15.107 4.625 210 HA PHE 34 HA PHE 34 -3.262 -13.457 2.224 211 HB2 PHE 34 1HB PHE 34 -0.907 -13.802 4.085 212 HB3 PHE 34 2HB PHE 34 -0.823 -12.901 2.575 213 HD1 PHE 34 1HD PHE 34 -3.396 -11.493 2.574 214 HD2 PHE 34 2HD PHE 34 -0.652 -12.212 5.748 215 HE1 PHE 34 1HE PHE 34 -4.211 -9.480 3.730 216 HE2 PHE 34 2HE PHE 34 -1.463 -10.200 6.909 217 HZ PHE 34 HZ PHE 34 -3.245 -8.831 5.901 218 H LEU 35 H LEU 35 -1.331 -13.738 0.629 219 HA LEU 35 HA LEU 35 -0.926 -16.623 0.187 220 HB2 LEU 35 1HB LEU 35 -1.764 -14.444 -1.647 221 HB3 LEU 35 2HB LEU 35 -0.721 -15.708 -2.296 222 HG LEU 35 HG LEU 35 -3.190 -16.515 -0.839 223 HD11 LEU 35 1HD1 LEU 35 -4.652 -15.755 -2.340 224 HD12 LEU 35 2HD1 LEU 35 -3.603 -16.160 -3.697 225 HD13 LEU 35 3HD1 LEU 35 -3.382 -14.636 -2.836 226 HD21 LEU 35 3HD2 LEU 35 -1.787 -18.286 -1.535 227 HD22 LEU 35 1HD2 LEU 35 -1.559 -17.576 -3.133 228 HD23 LEU 35 2HD2 LEU 35 -3.128 -18.244 -2.682 229 HA PRO 36 HA PRO 36 3.403 -15.893 0.056 230 HB2 PRO 36 1HB PRO 36 4.186 -17.837 -1.670 231 HB3 PRO 36 2HB PRO 36 3.655 -18.176 -0.019 232 HG2 PRO 36 1HG PRO 36 2.125 -18.393 -2.583 233 HG3 PRO 36 2HG PRO 36 2.165 -19.509 -1.206 234 HD2 PRO 36 1HD PRO 36 0.144 -17.750 -1.597 235 HD3 PRO 36 2HD PRO 36 0.677 -18.247 0.021 236 H ASP 37 H ASP 37 1.452 -15.621 -2.754 237 HA ASP 37 HA ASP 37 3.572 -14.057 -4.066 238 HB2 ASP 37 1HB ASP 37 1.656 -15.997 -5.371 239 HB3 ASP 37 2HB ASP 37 2.639 -14.840 -6.264 240 H SER 38 H SER 38 1.446 -13.167 -2.335 241 HA SER 38 HA SER 38 -0.755 -12.158 -3.770 242 HB2 SER 38 1HB SER 38 0.486 -11.618 -1.119 243 HB3 SER 38 2HB SER 38 -0.618 -10.400 -1.757 244 HG SER 38 HG SER 38 -2.010 -12.395 -2.146 245 H LYS 39 H LYS 39 -1.152 -9.675 -3.813 246 HA LYS 39 HA LYS 39 1.239 -8.255 -4.746 247 HB2 LYS 39 1HB LYS 39 -1.351 -8.572 -6.266 248 HB3 LYS 39 2HB LYS 39 -0.157 -7.337 -6.646 249 HG2 LYS 39 1HG LYS 39 0.465 -8.952 -8.121 250 HG3 LYS 39 2HG LYS 39 1.462 -9.413 -6.740 251 HD2 LYS 39 1HD LYS 39 0.199 -11.264 -6.272 252 HD3 LYS 39 2HD LYS 39 -1.275 -10.561 -6.943 253 HE2 LYS 39 1HE LYS 39 -0.535 -10.957 -9.174 254 HE3 LYS 39 2HE LYS 39 1.080 -11.400 -8.624 255 HZ1 LYS 39 3HZ LYS 39 0.338 -13.423 -7.817 256 HZ2 LYS 39 1HZ LYS 39 -0.556 -13.253 -9.243 257 HZ3 LYS 39 2HZ LYS 39 -1.280 -12.936 -7.748 258 H VAL 40 H VAL 40 1.264 -6.084 -4.331 259 HA VAL 40 HA VAL 40 -1.129 -4.943 -3.043 260 HB VAL 40 HB VAL 40 1.734 -4.476 -2.197 261 HG11 VAL 40 1HG1 VAL 40 1.027 -2.665 -1.125 262 HG12 VAL 40 2HG1 VAL 40 -0.555 -2.865 -1.881 263 HG13 VAL 40 3HG1 VAL 40 -0.228 -3.599 -0.311 264 HG21 VAL 40 3HG2 VAL 40 1.447 -6.407 -1.097 265 HG22 VAL 40 1HG2 VAL 40 0.392 -5.477 -0.032 266 HG23 VAL 40 2HG2 VAL 40 -0.296 -6.408 -1.363 267 H VAL 41 H VAL 41 -1.868 -3.264 -4.146 268 HA VAL 41 HA VAL 41 0.063 -1.550 -5.571 269 HB VAL 41 HB VAL 41 -1.551 -1.156 -7.314 270 HG11 VAL 41 1HG1 VAL 41 -1.023 -3.026 -8.422 271 HG12 VAL 41 2HG1 VAL 41 -0.227 -3.525 -6.928 272 HG13 VAL 41 3HG1 VAL 41 -1.874 -4.056 -7.271 273 HG21 VAL 41 3HG2 VAL 41 -3.383 -2.823 -5.607 274 HG22 VAL 41 1HG2 VAL 41 -3.622 -1.174 -6.185 275 HG23 VAL 41 2HG2 VAL 41 -3.689 -2.524 -7.318 276 H PHE 42 H PHE 42 -0.406 0.678 -5.667 277 HA PHE 42 HA PHE 42 -2.195 1.586 -3.521 278 HB2 PHE 42 1HB PHE 42 0.309 2.732 -4.723 279 HB3 PHE 42 2HB PHE 42 -0.813 3.763 -3.841 280 HD1 PHE 42 2HD PHE 42 0.747 0.400 -3.378 281 HD2 PHE 42 1HD PHE 42 -0.247 4.167 -1.665 282 HE1 PHE 42 2HE PHE 42 1.785 -0.294 -1.259 283 HE2 PHE 42 1HE PHE 42 0.790 3.480 0.457 284 HZ PHE 42 HZ PHE 42 1.807 1.246 0.663 285 H ILE 43 H ILE 43 -3.549 3.401 -3.850 286 HA ILE 43 HA ILE 43 -4.065 4.060 -6.674 287 HB ILE 43 HB ILE 43 -6.453 4.130 -6.233 288 HG12 ILE 43 1HG1 ILE 43 -5.946 2.931 -3.518 289 HG13 ILE 43 2HG1 ILE 43 -6.075 4.672 -3.742 290 HG21 ILE 43 1HG2 ILE 43 -4.837 1.744 -6.089 291 HG22 ILE 43 2HG2 ILE 43 -6.379 1.521 -5.263 292 HG23 ILE 43 3HG2 ILE 43 -6.349 2.028 -6.952 293 HD11 ILE 43 3HD1 ILE 43 -8.254 4.414 -3.440 294 HD12 ILE 43 1HD1 ILE 43 -8.297 3.671 -5.039 295 HD13 ILE 43 2HD1 ILE 43 -8.145 2.662 -3.601 296 H GLU 44 H GLU 44 -4.881 6.149 -7.096 297 HA GLU 44 HA GLU 44 -4.756 8.043 -4.851 298 HB2 GLU 44 1HB GLU 44 -2.638 8.259 -5.962 299 HB3 GLU 44 2HB GLU 44 -3.412 8.320 -7.539 300 HG2 GLU 44 1HG GLU 44 -4.544 10.444 -6.734 301 HG3 GLU 44 2HG GLU 44 -3.405 10.410 -5.389 302 H ARG 45 H ARG 45 -6.279 9.617 -4.853 303 HA ARG 45 HA ARG 45 -8.325 9.450 -6.933 304 HB2 ARG 45 1HB ARG 45 -8.318 10.728 -4.197 305 HB3 ARG 45 2HB ARG 45 -9.661 10.850 -5.325 306 HG2 ARG 45 1HG ARG 45 -10.365 9.094 -4.062 307 HG3 ARG 45 2HG ARG 45 -9.471 8.224 -5.311 308 HD2 ARG 45 1HD ARG 45 -8.613 7.245 -3.426 309 HD3 ARG 45 2HD ARG 45 -7.462 8.560 -3.656 310 HE ARG 45 HE ARG 45 -8.110 9.341 -1.625 311 HH11 ARG 45 1HH1 ARG 45 -10.765 7.557 -2.999 312 HH12 ARG 45 2HH1 ARG 45 -11.797 7.781 -1.626 313 HH21 ARG 45 1HH2 ARG 45 -9.460 9.644 0.189 314 HH22 ARG 45 2HH2 ARG 45 -11.055 8.969 0.186 315 H GLY 46 H GLY 46 -8.532 10.945 -8.466 316 HA2 GLY 46 1HA GLY 46 -6.898 13.371 -8.270 317 HA3 GLY 46 2HA GLY 46 -7.609 12.720 -9.740 318 HA PRO 47 HA PRO 47 -10.206 16.194 -7.750 319 HB2 PRO 47 1HB PRO 47 -9.484 18.240 -9.382 320 HB3 PRO 47 2HB PRO 47 -8.654 17.885 -7.863 321 HG2 PRO 47 1HG PRO 47 -7.875 17.161 -10.661 322 HG3 PRO 47 2HG PRO 47 -6.862 17.771 -9.340 323 HD2 PRO 47 1HD PRO 47 -6.953 15.151 -10.015 324 HD3 PRO 47 2HD PRO 47 -6.689 15.699 -8.347 325 H ASP 48 H ASP 48 -9.780 14.546 -10.614 326 HA ASP 48 HA ASP 48 -11.776 15.903 -12.187 327 HB2 ASP 48 1HB ASP 48 -11.211 14.468 -13.896 328 HB3 ASP 48 2HB ASP 48 -9.728 14.414 -12.947 329 H GLY 49 H GLY 49 -11.587 12.875 -10.342 330 HA2 GLY 49 1HA GLY 49 -13.927 12.707 -9.140 331 HA3 GLY 49 2HA GLY 49 -14.439 12.406 -10.794 332 H LYS 50 H LYS 50 -11.972 10.974 -11.471 333 HA LYS 50 HA LYS 50 -12.542 8.469 -10.029 334 HB2 LYS 50 1HB LYS 50 -11.734 7.317 -12.078 335 HB3 LYS 50 2HB LYS 50 -13.170 8.295 -12.351 336 HG2 LYS 50 1HG LYS 50 -11.862 10.025 -13.384 337 HG3 LYS 50 2HG LYS 50 -10.363 9.183 -12.983 338 HD2 LYS 50 1HD LYS 50 -12.497 7.916 -14.679 339 HD3 LYS 50 2HD LYS 50 -11.244 8.948 -15.371 340 HE2 LYS 50 1HE LYS 50 -10.264 6.887 -15.592 341 HE3 LYS 50 2HE LYS 50 -9.641 7.374 -14.016 342 HZ1 LYS 50 3HZ LYS 50 -10.982 5.066 -14.570 343 HZ2 LYS 50 1HZ LYS 50 -12.156 6.028 -13.822 344 HZ3 LYS 50 2HZ LYS 50 -10.698 5.704 -13.029 345 H LEU 51 H LEU 51 -10.756 7.001 -9.695 346 HA LEU 51 HA LEU 51 -8.244 8.450 -9.244 347 HB2 LEU 51 1HB LEU 51 -7.733 6.432 -7.784 348 HB3 LEU 51 2HB LEU 51 -8.983 7.542 -7.226 349 HG LEU 51 HG LEU 51 -10.694 5.952 -8.081 350 HD11 LEU 51 1HD1 LEU 51 -9.904 4.537 -9.640 351 HD12 LEU 51 2HD1 LEU 51 -9.491 3.543 -8.243 352 HD13 LEU 51 3HD1 LEU 51 -8.264 4.567 -8.991 353 HD21 LEU 51 3HD2 LEU 51 -9.795 4.077 -6.340 354 HD22 LEU 51 1HD2 LEU 51 -10.591 5.579 -5.868 355 HD23 LEU 51 2HD2 LEU 51 -8.831 5.475 -5.862 356 H GLN 52 H GLN 52 -6.330 7.778 -10.098 357 HA GLN 52 HA GLN 52 -6.139 5.237 -11.477 358 HB2 GLN 52 1HB GLN 52 -5.407 6.272 -13.603 359 HB3 GLN 52 2HB GLN 52 -7.089 6.618 -13.224 360 HG2 GLN 52 1HG GLN 52 -6.276 8.814 -12.265 361 HG3 GLN 52 2HG GLN 52 -4.727 8.456 -13.026 362 HE21 GLN 52 1HE2 GLN 52 -6.863 10.533 -13.476 363 HE22 GLN 52 2HE2 GLN 52 -7.177 10.461 -15.173 364 H TRP 53 H TRP 53 -4.378 4.517 -10.447 365 HA TRP 53 HA TRP 53 -1.888 5.971 -10.818 366 HB2 TRP 53 1HB TRP 53 -2.782 6.766 -8.637 367 HB3 TRP 53 2HB TRP 53 -2.784 5.100 -8.062 368 HD1 TRP 53 HD TRP 53 0.191 6.115 -10.155 369 HE1 TRP 53 1HE TRP 53 2.265 6.320 -8.645 370 HE3 TRP 53 3HE TRP 53 -2.089 5.763 -5.593 371 HZ2 TRP 53 2HZ TRP 53 2.857 6.331 -5.885 372 HZ3 TRP 53 3HZ TRP 53 -0.697 5.879 -3.567 373 HH2 TRP 53 HH TRP 53 1.724 6.157 -3.712 374 H GLU 54 H GLU 54 -0.768 4.461 -11.878 375 HA GLU 54 HA GLU 54 -0.936 1.671 -10.993 376 HB2 GLU 54 1HB GLU 54 -1.317 2.239 -13.406 377 HB3 GLU 54 2HB GLU 54 0.358 2.766 -13.494 378 HG2 GLU 54 1HG GLU 54 1.170 0.584 -13.135 379 HG3 GLU 54 2HG GLU 54 -0.417 -0.004 -12.641 380 H GLU 55 H GLU 55 0.434 1.495 -9.283 381 HA GLU 55 HA GLU 55 3.279 1.862 -9.866 382 HB2 GLU 55 1HB GLU 55 3.730 2.977 -7.803 383 HB3 GLU 55 2HB GLU 55 2.430 3.855 -8.598 384 HG2 GLU 55 1HG GLU 55 1.911 3.701 -6.284 385 HG3 GLU 55 2HG GLU 55 0.811 2.637 -7.160 386 H GLU 56 H GLU 56 4.641 0.409 -8.855 387 HA GLU 56 HA GLU 56 3.295 -1.751 -7.368 388 HB2 GLU 56 1HB GLU 56 4.113 -2.467 -9.567 389 HB3 GLU 56 2HB GLU 56 5.730 -1.915 -9.153 390 HG2 GLU 56 1HG GLU 56 5.958 -3.594 -7.481 391 HG3 GLU 56 2HG GLU 56 4.261 -4.048 -7.627 392 H ALA 57 H ALA 57 4.181 -2.485 -5.487 393 HA ALA 57 HA ALA 57 6.487 -0.964 -4.463 394 HB1 ALA 57 3HB ALA 57 4.220 -2.248 -2.943 395 HB2 ALA 57 1HB ALA 57 5.595 -1.415 -2.216 396 HB3 ALA 57 2HB ALA 57 4.454 -0.522 -3.221 397 H THR 58 H THR 58 8.265 -2.022 -3.814 398 HA THR 58 HA THR 58 8.711 -4.694 -4.518 399 HB THR 58 HB THR 58 10.272 -3.084 -2.490 400 HG1 THR 58 1HG THR 58 11.527 -2.474 -4.307 401 HG21 THR 58 3HG2 THR 58 10.582 -5.740 -3.599 402 HG22 THR 58 1HG2 THR 58 11.468 -4.960 -2.289 403 HG23 THR 58 2HG2 THR 58 11.976 -4.722 -3.962 404 H VAL 59 H VAL 59 7.703 -6.380 -3.636 405 HA VAL 59 HA VAL 59 7.137 -6.371 -0.757 406 HB VAL 59 HB VAL 59 6.079 -8.155 -2.953 407 HG11 VAL 59 1HG1 VAL 59 6.077 -8.438 -0.051 408 HG12 VAL 59 2HG1 VAL 59 4.463 -8.507 -0.762 409 HG13 VAL 59 3HG1 VAL 59 5.717 -9.623 -1.306 410 HG21 VAL 59 3HG2 VAL 59 4.097 -6.953 -2.866 411 HG22 VAL 59 1HG2 VAL 59 4.457 -6.281 -1.275 412 HG23 VAL 59 2HG2 VAL 59 5.317 -5.691 -2.698 413 H ASN 60 H ASN 60 8.102 -7.741 0.624 414 HA ASN 60 HA ASN 60 10.217 -9.453 -0.433 415 HB2 ASN 60 1HB ASN 60 10.404 -7.749 1.561 416 HB3 ASN 60 2HB ASN 60 9.716 -9.074 2.496 417 HD21 ASN 60 1HD2 ASN 60 12.359 -7.831 2.628 418 HD22 ASN 60 2HD2 ASN 60 13.495 -9.110 2.388 419 H ARG 61 H ARG 61 9.019 -11.195 -1.227 420 HA ARG 61 HA ARG 61 7.022 -12.565 0.204 421 HB2 ARG 61 1HB ARG 61 8.719 -13.148 -2.170 422 HB3 ARG 61 2HB ARG 61 7.916 -14.508 -1.395 423 HG2 ARG 61 1HG ARG 61 6.319 -13.945 -2.905 424 HG3 ARG 61 2HG ARG 61 5.821 -12.905 -1.568 425 HD2 ARG 61 1HD ARG 61 5.800 -11.467 -3.392 426 HD3 ARG 61 2HD ARG 61 7.367 -11.150 -2.650 427 HE ARG 61 HE ARG 61 7.946 -13.045 -4.477 428 HH11 ARG 61 1HH1 ARG 61 6.224 -10.025 -4.660 429 HH12 ARG 61 2HH1 ARG 61 6.659 -9.727 -6.311 430 HH21 ARG 61 1HH2 ARG 61 8.526 -12.663 -6.650 431 HH22 ARG 61 2HH2 ARG 61 7.968 -11.229 -7.442 432 H LEU 62 H LEU 62 10.504 -12.768 0.254 433 HA LEU 62 HA LEU 62 10.838 -15.274 1.441 434 HB2 LEU 62 1HB LEU 62 12.442 -12.747 1.476 435 HB3 LEU 62 2HB LEU 62 12.942 -14.140 2.433 436 HG LEU 62 HG LEU 62 13.982 -13.770 0.097 437 HD11 LEU 62 1HD1 LEU 62 14.721 -15.822 0.483 438 HD12 LEU 62 2HD1 LEU 62 13.179 -16.504 -0.035 439 HD13 LEU 62 3HD1 LEU 62 13.421 -16.054 1.653 440 HD21 LEU 62 3HD2 LEU 62 11.760 -13.442 -1.003 441 HD22 LEU 62 1HD2 LEU 62 11.437 -15.155 -0.731 442 HD23 LEU 62 2HD2 LEU 62 12.781 -14.664 -1.762 443 H GLN 63 H GLN 63 10.405 -12.083 2.937 444 HA GLN 63 HA GLN 63 10.367 -13.225 5.594 445 HB2 GLN 63 1HB GLN 63 9.786 -10.400 4.687 446 HB3 GLN 63 2HB GLN 63 10.014 -10.922 6.351 447 HG2 GLN 63 1HG GLN 63 12.079 -10.973 4.162 448 HG3 GLN 63 2HG GLN 63 12.010 -9.850 5.519 449 HE21 GLN 63 1HE2 GLN 63 13.193 -10.334 7.222 450 HE22 GLN 63 2HE2 GLN 63 13.813 -11.897 7.619 451 H SER 64 H SER 64 8.055 -11.571 3.457 452 HA SER 64 HA SER 64 5.822 -11.499 5.015 453 HB2 SER 64 1HB SER 64 4.585 -11.244 3.070 454 HB3 SER 64 2HB SER 64 6.207 -10.867 2.489 455 HG SER 64 HG SER 64 4.571 -13.005 1.904 456 H ASN 65 H ASN 65 4.385 -12.897 5.852 457 HA ASN 65 HA ASN 65 4.741 -15.751 5.207 458 HB2 ASN 65 1HB ASN 65 3.732 -14.609 7.819 459 HB3 ASN 65 2HB ASN 65 4.129 -16.290 7.477 460 HD21 ASN 65 1HD2 ASN 65 5.164 -14.402 9.491 461 HD22 ASN 65 2HD2 ASN 65 6.878 -14.388 9.269 462 H GLU 66 H GLU 66 2.620 -16.946 6.166 463 HA GLU 66 HA GLU 66 0.536 -16.237 4.387 464 HB2 GLU 66 1HB GLU 66 -0.672 -18.094 5.301 465 HB3 GLU 66 2HB GLU 66 1.021 -18.555 5.189 466 HG2 GLU 66 1HG GLU 66 1.266 -18.005 7.600 467 HG3 GLU 66 2HG GLU 66 -0.474 -17.736 7.666 468 H VAL 67 H VAL 67 1.372 -15.066 7.439 469 HA VAL 67 HA VAL 67 -1.313 -13.895 7.773 470 HB VAL 67 HB VAL 67 -0.777 -13.764 10.231 471 HG11 VAL 67 1HG1 VAL 67 -2.079 -15.642 8.879 472 HG12 VAL 67 2HG1 VAL 67 -0.779 -16.645 9.526 473 HG13 VAL 67 3HG1 VAL 67 -1.827 -15.745 10.621 474 HG21 VAL 67 3HG2 VAL 67 1.043 -15.996 10.238 475 HG22 VAL 67 1HG2 VAL 67 1.737 -14.627 9.369 476 HG23 VAL 67 2HG2 VAL 67 1.189 -14.428 11.033 477 H THR 68 H THR 68 1.953 -13.337 7.226 478 HA THR 68 HA THR 68 1.661 -10.509 8.008 479 HB THR 68 HB THR 68 4.289 -11.992 7.892 480 HG1 THR 68 1HG THR 68 2.464 -11.597 10.018 481 HG21 THR 68 3HG2 THR 68 5.266 -10.038 8.396 482 HG22 THR 68 1HG2 THR 68 4.037 -9.634 9.594 483 HG23 THR 68 2HG2 THR 68 3.751 -9.292 7.887 484 H LEU 69 H LEU 69 2.319 -8.961 6.558 485 HA LEU 69 HA LEU 69 3.336 -9.905 3.964 486 HB2 LEU 69 1HB LEU 69 0.937 -8.269 4.572 487 HB3 LEU 69 2HB LEU 69 1.882 -7.830 3.151 488 HG LEU 69 HG LEU 69 0.613 -10.522 3.653 489 HD11 LEU 69 1HD1 LEU 69 -0.343 -9.165 1.335 490 HD12 LEU 69 2HD1 LEU 69 -0.519 -8.107 2.735 491 HD13 LEU 69 3HD1 LEU 69 -1.241 -9.716 2.750 492 HD21 LEU 69 3HD2 LEU 69 2.200 -11.192 2.216 493 HD22 LEU 69 1HD2 LEU 69 2.581 -9.545 1.713 494 HD23 LEU 69 2HD2 LEU 69 1.204 -10.387 1.002 495 H THR 70 H THR 70 5.377 -9.157 4.034 496 HA THR 70 HA THR 70 5.895 -6.448 4.997 497 HB THR 70 HB THR 70 7.837 -8.604 4.142 498 HG1 THR 70 1HG THR 70 8.217 -8.413 6.566 499 HG21 THR 70 3HG2 THR 70 8.171 -5.784 5.013 500 HG22 THR 70 1HG2 THR 70 9.136 -6.743 3.892 501 HG23 THR 70 2HG2 THR 70 9.320 -6.970 5.631 502 H LEU 71 H LEU 71 6.056 -4.788 3.649 503 HA LEU 71 HA LEU 71 7.064 -5.218 0.938 504 HB2 LEU 71 1HB LEU 71 5.287 -4.110 -0.123 505 HB3 LEU 71 2HB LEU 71 4.541 -5.274 0.970 506 HG LEU 71 HG LEU 71 4.899 -2.469 1.909 507 HD11 LEU 71 1HD1 LEU 71 2.577 -3.289 0.183 508 HD12 LEU 71 2HD1 LEU 71 3.965 -2.391 -0.430 509 HD13 LEU 71 3HD1 LEU 71 2.945 -1.689 0.826 510 HD21 LEU 71 3HD2 LEU 71 2.375 -3.471 2.517 511 HD22 LEU 71 1HD2 LEU 71 3.770 -3.380 3.593 512 HD23 LEU 71 2HD2 LEU 71 3.460 -4.853 2.674 513 H THR 72 H THR 72 7.407 -3.040 -0.177 514 HA THR 72 HA THR 72 8.460 -1.130 1.806 515 HB THR 72 HB THR 72 9.463 -1.635 -1.003 516 HG1 THR 72 1HG THR 72 10.747 -3.045 -0.094 517 HG21 THR 72 3HG2 THR 72 10.953 -0.071 1.055 518 HG22 THR 72 1HG2 THR 72 9.650 0.716 0.166 519 HG23 THR 72 2HG2 THR 72 11.023 0.031 -0.704 520 H VAL 73 H VAL 73 7.280 0.656 1.932 521 HA VAL 73 HA VAL 73 5.214 1.485 0.384 522 HB VAL 73 HB VAL 73 7.206 3.358 1.668 523 HG11 VAL 73 1HG1 VAL 73 4.501 3.703 0.495 524 HG12 VAL 73 2HG1 VAL 73 4.890 4.616 1.954 525 HG13 VAL 73 3HG1 VAL 73 5.879 4.802 0.505 526 HG21 VAL 73 3HG2 VAL 73 4.785 1.975 2.819 527 HG22 VAL 73 1HG2 VAL 73 6.469 1.725 3.281 528 HG23 VAL 73 2HG2 VAL 73 5.681 3.266 3.619 529 HA PRO 74 HA PRO 74 7.125 2.400 -3.534 530 HB2 PRO 74 1HB PRO 74 4.853 3.231 -4.764 531 HB3 PRO 74 2HB PRO 74 5.226 1.526 -4.487 532 HG2 PRO 74 1HG PRO 74 3.443 3.353 -2.924 533 HG3 PRO 74 2HG PRO 74 3.169 1.670 -3.412 534 HD2 PRO 74 1HD PRO 74 3.971 2.351 -0.917 535 HD3 PRO 74 2HD PRO 74 4.457 0.830 -1.695 536 H GLU 75 H GLU 75 7.132 4.303 -5.050 537 HA GLU 75 HA GLU 75 7.390 6.737 -3.487 538 HB2 GLU 75 1HB GLU 75 8.187 5.976 -6.291 539 HB3 GLU 75 2HB GLU 75 8.304 7.630 -5.704 540 HG2 GLU 75 1HG GLU 75 10.408 6.935 -5.245 541 HG3 GLU 75 2HG GLU 75 9.626 6.457 -3.740 542 H TYR 76 H TYR 76 6.188 8.562 -3.722 543 HA TYR 76 HA TYR 76 3.617 8.280 -4.984 544 HB2 TYR 76 1HB TYR 76 3.973 9.427 -2.783 545 HB3 TYR 76 2HB TYR 76 4.786 10.727 -3.647 546 HD1 TYR 76 1HD TYR 76 1.727 8.854 -4.638 547 HD2 TYR 76 2HD TYR 76 3.367 12.560 -3.339 548 HE1 TYR 76 1HE TYR 76 -0.442 9.945 -5.029 549 HE2 TYR 76 2HE TYR 76 1.202 13.660 -3.725 550 HH TYR 76 HH TYR 76 -1.167 12.464 -5.557 551 H SER 77 H SER 77 2.770 9.563 -6.643 552 HA SER 77 HA SER 77 4.618 10.216 -8.712 553 HB2 SER 77 1HB SER 77 2.470 9.358 -9.351 554 HB3 SER 77 2HB SER 77 1.633 10.623 -8.452 555 HG SER 77 HG SER 77 2.256 10.699 -10.957 556 H ASN 78 H ASN 78 2.345 12.200 -6.812 557 HA ASN 78 HA ASN 78 3.796 14.601 -7.656 558 HB2 ASN 78 1HB ASN 78 1.177 14.261 -7.675 559 HB3 ASN 78 2HB ASN 78 1.322 14.711 -5.979 560 HD21 ASN 78 1HD2 ASN 78 3.012 15.817 -8.890 561 HD22 ASN 78 2HD2 ASN 78 2.611 17.486 -8.697 562 H LYS 79 H LYS 79 5.619 14.509 -6.360 563 HA LYS 79 HA LYS 79 5.266 14.366 -3.465 564 HB2 LYS 79 1HB LYS 79 7.739 14.408 -5.200 565 HB3 LYS 79 2HB LYS 79 7.776 14.376 -3.442 566 HG2 LYS 79 1HG LYS 79 6.318 12.255 -3.686 567 HG3 LYS 79 2HG LYS 79 6.906 12.247 -5.351 568 HD2 LYS 79 1HD LYS 79 9.239 12.573 -4.130 569 HD3 LYS 79 2HD LYS 79 8.375 11.787 -2.807 570 HE2 LYS 79 1HE LYS 79 8.172 9.809 -3.932 571 HE3 LYS 79 2HE LYS 79 8.163 10.585 -5.515 572 HZ1 LYS 79 3HZ LYS 79 10.637 11.137 -4.686 573 HZ2 LYS 79 1HZ LYS 79 10.240 9.775 -5.608 574 HZ3 LYS 79 2HZ LYS 79 10.398 9.643 -3.930 575 H ARG 80 H ARG 80 6.520 16.562 -5.946 576 HA ARG 80 HA ARG 80 7.617 18.605 -4.636 577 HB2 ARG 80 1HB ARG 80 5.539 18.709 -6.811 578 HB3 ARG 80 2HB ARG 80 6.313 20.167 -6.205 579 HG2 ARG 80 1HG ARG 80 7.877 17.830 -7.256 580 HG3 ARG 80 2HG ARG 80 7.299 19.137 -8.291 581 HD2 ARG 80 1HD ARG 80 8.862 19.755 -5.818 582 HD3 ARG 80 2HD ARG 80 9.696 19.244 -7.285 583 HE ARG 80 HE ARG 80 8.597 21.801 -6.773 584 HH11 ARG 80 1HH1 ARG 80 9.023 19.455 -9.310 585 HH12 ARG 80 2HH1 ARG 80 9.014 20.634 -10.580 586 HH21 ARG 80 1HH2 ARG 80 8.583 23.362 -8.436 587 HH22 ARG 80 2HH2 ARG 80 8.764 22.856 -10.082 588 H VAL 81 H VAL 81 4.185 17.822 -4.558 589 HA VAL 81 HA VAL 81 3.002 19.978 -3.443 590 HB VAL 81 HB VAL 81 1.530 18.461 -2.164 591 HG11 VAL 81 1HG1 VAL 81 2.154 18.186 -5.016 592 HG12 VAL 81 2HG1 VAL 81 1.231 16.847 -4.333 593 HG13 VAL 81 3HG1 VAL 81 0.614 18.495 -4.214 594 HG21 VAL 81 3HG2 VAL 81 3.360 16.258 -3.111 595 HG22 VAL 81 1HG2 VAL 81 3.316 16.886 -1.463 596 HG23 VAL 81 2HG2 VAL 81 1.899 16.082 -2.138 597 H SER 82 H SER 82 2.962 21.058 -1.541 598 HA SER 82 HA SER 82 5.110 20.524 0.327 599 HB2 SER 82 1HB SER 82 3.065 22.747 0.161 600 HB3 SER 82 2HB SER 82 4.311 22.652 1.405 601 HG SER 82 HG SER 82 5.164 22.416 -1.226 602 H ARG 83 H ARG 83 1.747 19.915 0.076 603 HA ARG 83 HA ARG 83 1.566 19.318 2.950 604 HB2 ARG 83 1HB ARG 83 -0.546 19.844 0.863 605 HB3 ARG 83 2HB ARG 83 -0.927 19.172 2.443 606 HG2 ARG 83 1HG ARG 83 0.532 21.774 2.087 607 HG3 ARG 83 2HG ARG 83 -1.226 21.658 2.189 608 HD2 ARG 83 1HD ARG 83 -1.169 20.916 4.398 609 HD3 ARG 83 2HD ARG 83 0.521 20.429 4.288 610 HE ARG 83 HE ARG 83 0.057 23.262 3.982 611 HH11 ARG 83 1HH1 ARG 83 0.718 20.655 6.193 612 HH12 ARG 83 2HH1 ARG 83 1.394 21.686 7.410 613 HH21 ARG 83 1HH2 ARG 83 0.945 24.629 5.577 614 HH22 ARG 83 2HH2 ARG 83 1.522 23.946 7.059 615 HA PRO 84 HA PRO 84 1.466 14.986 2.256 616 HB2 PRO 84 1HB PRO 84 -0.265 14.172 4.182 617 HB3 PRO 84 2HB PRO 84 1.371 14.739 4.538 618 HG2 PRO 84 1HG PRO 84 -1.227 16.215 4.720 619 HG3 PRO 84 2HG PRO 84 0.138 16.208 5.853 620 HD2 PRO 84 1HD PRO 84 -0.276 18.215 4.082 621 HD3 PRO 84 2HD PRO 84 1.348 17.717 4.600 622 H VAL 85 H VAL 85 0.275 13.326 1.311 623 HA VAL 85 HA VAL 85 -2.404 14.098 0.353 624 HB VAL 85 HB VAL 85 -0.395 12.275 -0.979 625 HG11 VAL 85 1HG1 VAL 85 -2.103 11.451 -2.132 626 HG12 VAL 85 2HG1 VAL 85 -3.229 12.512 -1.283 627 HG13 VAL 85 3HG1 VAL 85 -2.432 13.067 -2.755 628 HG21 VAL 85 3HG2 VAL 85 -0.818 14.274 -2.733 629 HG22 VAL 85 1HG2 VAL 85 -1.000 15.151 -1.213 630 HG23 VAL 85 2HG2 VAL 85 0.492 14.273 -1.552 631 H GLN 86 H GLN 86 -4.068 12.631 0.454 632 HA GLN 86 HA GLN 86 -3.605 10.331 2.205 633 HB2 GLN 86 1HB GLN 86 -5.359 11.983 2.818 634 HB3 GLN 86 2HB GLN 86 -6.220 11.577 1.340 635 HG2 GLN 86 1HG GLN 86 -5.635 9.709 3.626 636 HG3 GLN 86 2HG GLN 86 -7.191 10.447 3.248 637 HE21 GLN 86 1HE2 GLN 86 -5.567 7.664 3.078 638 HE22 GLN 86 2HE2 GLN 86 -6.304 6.950 1.689 639 H VAL 87 H VAL 87 -2.978 8.625 1.007 640 HA VAL 87 HA VAL 87 -4.569 7.954 -1.380 641 HB VAL 87 HB VAL 87 -2.700 6.630 -2.159 642 HG11 VAL 87 1HG1 VAL 87 -1.419 8.369 -2.905 643 HG12 VAL 87 2HG1 VAL 87 -2.805 9.267 -2.281 644 HG13 VAL 87 3HG1 VAL 87 -1.333 9.133 -1.318 645 HG21 VAL 87 3HG2 VAL 87 -1.415 7.388 0.459 646 HG22 VAL 87 1HG2 VAL 87 -1.813 5.770 -0.118 647 HG23 VAL 87 2HG2 VAL 87 -0.533 6.696 -0.903 648 H TYR 88 H TYR 88 -4.890 5.624 -1.785 649 HA TYR 88 HA TYR 88 -5.144 4.098 0.722 650 HB2 TYR 88 1HB TYR 88 -7.136 4.591 -1.448 651 HB3 TYR 88 2HB TYR 88 -7.164 3.038 -0.619 652 HD1 TYR 88 1HD TYR 88 -7.687 2.921 1.781 653 HD2 TYR 88 2HD TYR 88 -7.835 6.606 -0.340 654 HE1 TYR 88 1HE TYR 88 -8.981 3.920 3.619 655 HE2 TYR 88 2HE TYR 88 -9.128 7.616 1.493 656 HH TYR 88 HH TYR 88 -10.557 5.789 3.957 657 H PHE 89 H PHE 89 -5.224 1.745 0.426 658 HA PHE 89 HA PHE 89 -4.171 0.708 -2.074 659 HB2 PHE 89 1HB PHE 89 -2.261 -0.412 -0.951 660 HB3 PHE 89 2HB PHE 89 -2.127 1.343 -0.933 661 HD1 PHE 89 2HD PHE 89 -3.177 -1.551 1.142 662 HD2 PHE 89 1HD PHE 89 -1.811 2.480 1.069 663 HE1 PHE 89 2HE PHE 89 -2.902 -1.603 3.586 664 HE2 PHE 89 1HE PHE 89 -1.532 2.433 3.513 665 HZ PHE 89 HZ PHE 89 -2.080 0.390 4.775 666 H TYR 90 H TYR 90 -4.345 -1.568 -2.265 667 HA TYR 90 HA TYR 90 -5.757 -2.955 -0.105 668 HB2 TYR 90 1HB TYR 90 -7.367 -3.902 -1.737 669 HB3 TYR 90 2HB TYR 90 -7.520 -2.156 -1.569 670 HD1 TYR 90 2HD TYR 90 -6.601 -0.670 -3.361 671 HD2 TYR 90 1HD TYR 90 -6.829 -4.893 -3.823 672 HE1 TYR 90 2HE TYR 90 -6.356 -0.411 -5.795 673 HE2 TYR 90 1HE TYR 90 -6.583 -4.646 -6.258 674 HH TYR 90 HH TYR 90 -5.592 -1.769 -7.722 675 H VAL 91 H VAL 91 -6.037 -5.364 -0.770 676 HA VAL 91 HA VAL 91 -3.542 -6.256 -2.063 677 HB VAL 91 HB VAL 91 -4.982 -7.551 0.256 678 HG11 VAL 91 1HG1 VAL 91 -3.398 -8.751 -1.696 679 HG12 VAL 91 2HG1 VAL 91 -2.332 -8.546 -0.305 680 HG13 VAL 91 3HG1 VAL 91 -3.850 -9.427 -0.131 681 HG21 VAL 91 3HG2 VAL 91 -3.686 -5.484 0.783 682 HG22 VAL 91 1HG2 VAL 91 -3.090 -6.935 1.589 683 HG23 VAL 91 2HG2 VAL 91 -2.241 -6.298 0.181 684 H SER 92 H SER 92 -3.889 -7.318 -3.889 685 HA SER 92 HA SER 92 -6.508 -8.466 -4.430 686 HB2 SER 92 1HB SER 92 -5.387 -7.051 -6.137 687 HB3 SER 92 2HB SER 92 -4.095 -8.245 -6.245 688 HG SER 92 HG SER 92 -6.196 -9.658 -6.585 689 H ASN 93 H ASN 93 -6.913 -10.509 -3.939 690 HA ASN 93 HA ASN 93 -4.790 -12.504 -4.313 691 HB2 ASN 93 1HB ASN 93 -6.588 -12.216 -1.901 692 HB3 ASN 93 2HB ASN 93 -5.653 -13.668 -2.246 693 HD21 ASN 93 1HD2 ASN 93 -4.630 -13.296 -0.208 694 HD22 ASN 93 2HD2 ASN 93 -3.339 -12.155 -0.082 695 H GLY 94 H GLY 94 -5.563 -13.575 -6.041 696 HA2 GLY 94 1HA GLY 94 -6.878 -15.370 -6.856 697 HA3 GLY 94 2HA GLY 94 -8.146 -14.920 -5.726 698 H ARG 95 H ARG 95 -9.837 -14.725 -7.113 699 HA ARG 95 HA ARG 95 -9.529 -12.878 -9.380 700 HB2 ARG 95 1HB ARG 95 -11.338 -15.205 -8.855 701 HB3 ARG 95 2HB ARG 95 -11.857 -13.941 -9.963 702 HG2 ARG 95 1HG ARG 95 -9.597 -14.320 -11.125 703 HG3 ARG 95 2HG ARG 95 -9.551 -15.831 -10.213 704 HD2 ARG 95 1HD ARG 95 -10.492 -16.289 -12.363 705 HD3 ARG 95 2HD ARG 95 -11.783 -16.392 -11.167 706 HE ARG 95 HE ARG 95 -11.854 -13.810 -12.104 707 HH11 ARG 95 1HH1 ARG 95 -12.132 -16.995 -13.481 708 HH12 ARG 95 2HH1 ARG 95 -13.183 -16.492 -14.763 709 HH21 ARG 95 1HH2 ARG 95 -13.237 -13.134 -13.787 710 HH22 ARG 95 2HH2 ARG 95 -13.810 -14.295 -14.936 711 H ARG 96 H ARG 96 -12.327 -13.849 -7.407 712 HA ARG 96 HA ARG 96 -13.073 -11.017 -7.216 713 HB2 ARG 96 1HB ARG 96 -14.669 -12.755 -8.181 714 HB3 ARG 96 2HB ARG 96 -14.816 -13.383 -6.545 715 HG2 ARG 96 1HG ARG 96 -15.873 -11.452 -5.770 716 HG3 ARG 96 2HG ARG 96 -15.352 -10.502 -7.163 717 HD2 ARG 96 1HD ARG 96 -16.978 -11.357 -8.528 718 HD3 ARG 96 2HD ARG 96 -17.068 -12.880 -7.645 719 HE ARG 96 HE ARG 96 -18.042 -11.091 -5.872 720 HH11 ARG 96 1HH1 ARG 96 -18.787 -11.795 -9.199 721 HH12 ARG 96 2HH1 ARG 96 -20.451 -11.334 -9.059 722 HH21 ARG 96 1HH2 ARG 96 -20.231 -10.482 -5.675 723 HH22 ARG 96 2HH2 ARG 96 -21.271 -10.587 -7.055 724 H LYS 97 H LYS 97 -11.011 -12.137 -5.547 725 HA LYS 97 HA LYS 97 -12.281 -11.738 -2.922 726 HB2 LYS 97 1HB LYS 97 -10.028 -13.666 -3.514 727 HB3 LYS 97 2HB LYS 97 -10.748 -13.368 -1.937 728 HG2 LYS 97 1HG LYS 97 -12.780 -14.390 -2.561 729 HG3 LYS 97 2HG LYS 97 -12.334 -14.401 -4.269 730 HD2 LYS 97 1HD LYS 97 -11.867 -16.574 -3.742 731 HD3 LYS 97 2HD LYS 97 -10.309 -15.841 -3.357 732 HE2 LYS 97 1HE LYS 97 -10.806 -15.807 -1.034 733 HE3 LYS 97 2HE LYS 97 -12.496 -16.217 -1.323 734 HZ1 LYS 97 3HZ LYS 97 -11.149 -18.106 -0.536 735 HZ2 LYS 97 1HZ LYS 97 -10.209 -18.007 -1.939 736 HZ3 LYS 97 2HZ LYS 97 -11.852 -18.393 -2.047 737 H ARG 98 H ARG 98 -11.667 -9.578 -2.855 738 HA ARG 98 HA ARG 98 -8.764 -9.083 -2.765 739 HB2 ARG 98 1HB ARG 98 -11.034 -7.221 -3.478 740 HB3 ARG 98 2HB ARG 98 -9.377 -6.689 -3.223 741 HG2 ARG 98 1HG ARG 98 -8.620 -7.658 -5.163 742 HG3 ARG 98 2HG ARG 98 -9.922 -8.849 -5.201 743 HD2 ARG 98 1HD ARG 98 -10.380 -7.316 -6.941 744 HD3 ARG 98 2HD ARG 98 -11.499 -6.927 -5.635 745 HE ARG 98 HE ARG 98 -9.193 -5.349 -5.365 746 HH11 ARG 98 1HH1 ARG 98 -11.956 -5.726 -7.450 747 HH12 ARG 98 2HH1 ARG 98 -11.984 -4.062 -7.931 748 HH21 ARG 98 1HH2 ARG 98 -9.220 -3.155 -5.991 749 HH22 ARG 98 2HH2 ARG 98 -10.427 -2.600 -7.101 750 H SER 99 H SER 99 -8.385 -6.936 -1.409 751 HA SER 99 HA SER 99 -9.728 -7.365 1.178 752 HB2 SER 99 1HB SER 99 -7.735 -7.007 2.285 753 HB3 SER 99 2HB SER 99 -7.134 -7.738 0.797 754 HG SER 99 HG SER 99 -5.945 -5.913 1.097 755 HA PRO 100 HA PRO 100 -11.239 -3.245 1.185 756 HB2 PRO 100 1HB PRO 100 -11.105 -2.631 3.826 757 HB3 PRO 100 2HB PRO 100 -12.292 -3.760 3.161 758 HG2 PRO 100 1HG PRO 100 -9.701 -4.334 4.545 759 HG3 PRO 100 2HG PRO 100 -11.274 -5.127 4.743 760 HD2 PRO 100 1HD PRO 100 -9.282 -6.195 3.251 761 HD3 PRO 100 2HD PRO 100 -10.998 -6.426 2.858 762 H THR 101 H THR 101 -10.476 -1.226 0.876 763 HA THR 101 HA THR 101 -7.696 -0.726 0.926 764 HB THR 101 HB THR 101 -8.299 1.616 0.370 765 HG1 THR 101 1HG THR 101 -10.759 1.716 -0.056 766 HG21 THR 101 3HG2 THR 101 -8.259 -0.307 -1.312 767 HG22 THR 101 1HG2 THR 101 -9.123 1.154 -1.789 768 HG23 THR 101 2HG2 THR 101 -10.020 -0.259 -1.234 769 H GLN 102 H GLN 102 -6.442 0.556 2.260 770 HA GLN 102 HA GLN 102 -7.626 1.155 4.887 771 HB2 GLN 102 1HB GLN 102 -4.908 0.232 4.045 772 HB3 GLN 102 2HB GLN 102 -5.078 1.165 5.525 773 HG2 GLN 102 1HG GLN 102 -5.106 -1.157 6.075 774 HG3 GLN 102 2HG GLN 102 -6.721 -0.498 6.332 775 HE21 GLN 102 1HE2 GLN 102 -8.246 -1.840 5.729 776 HE22 GLN 102 2HE2 GLN 102 -8.185 -2.925 4.385 777 H SER 103 H SER 103 -7.378 3.149 5.799 778 HA SER 103 HA SER 103 -6.856 5.332 4.039 779 HB2 SER 103 1HB SER 103 -7.416 6.751 5.924 780 HB3 SER 103 2HB SER 103 -8.547 5.399 5.874 781 HG SER 103 HG SER 103 -6.275 5.653 7.557 782 H PHE 104 H PHE 104 -4.894 5.978 3.478 783 HA PHE 104 HA PHE 104 -2.789 6.025 5.535 784 HB2 PHE 104 1HB PHE 104 -2.649 4.215 3.635 785 HB3 PHE 104 2HB PHE 104 -2.093 5.570 2.658 786 HD1 PHE 104 2HD PHE 104 -1.373 3.579 5.684 787 HD2 PHE 104 1HD PHE 104 0.100 6.398 2.855 788 HE1 PHE 104 2HE PHE 104 0.900 3.287 6.581 789 HE2 PHE 104 1HE PHE 104 2.375 6.109 3.747 790 HZ PHE 104 HZ PHE 104 2.777 4.553 5.614 791 H ARG 105 H ARG 105 -0.959 7.516 4.907 792 HA ARG 105 HA ARG 105 -1.637 9.679 3.112 793 HB2 ARG 105 1HB ARG 105 -2.832 10.267 5.206 794 HB3 ARG 105 2HB ARG 105 -1.299 10.224 6.066 795 HG2 ARG 105 1HG ARG 105 -0.481 12.028 4.552 796 HG3 ARG 105 2HG ARG 105 -2.113 12.133 3.889 797 HD2 ARG 105 1HD ARG 105 -1.465 13.766 5.757 798 HD3 ARG 105 2HD ARG 105 -3.006 12.920 5.895 799 HE ARG 105 HE ARG 105 -0.666 12.574 7.567 800 HH11 ARG 105 1HH1 ARG 105 -3.753 11.319 6.559 801 HH12 ARG 105 2HH1 ARG 105 -3.966 10.345 7.976 802 HH21 ARG 105 1HH2 ARG 105 -0.936 11.297 9.437 803 HH22 ARG 105 2HH2 ARG 105 -2.364 10.334 9.613 804 H PHE 106 H PHE 106 0.142 10.694 2.338 805 HA PHE 106 HA PHE 106 2.728 9.791 3.397 806 HB2 PHE 106 1HB PHE 106 1.929 10.854 0.684 807 HB3 PHE 106 2HB PHE 106 3.602 10.578 1.159 808 HD1 PHE 106 1HD PHE 106 3.400 8.062 2.647 809 HD2 PHE 106 2HD PHE 106 1.499 9.284 -0.960 810 HE1 PHE 106 1HE PHE 106 3.209 5.709 1.955 811 HE2 PHE 106 2HE PHE 106 1.304 6.933 -1.658 812 HZ PHE 106 HZ PHE 106 2.159 5.141 -0.200 813 H LEU 107 H LEU 107 4.078 11.178 4.344 814 HA LEU 107 HA LEU 107 3.298 13.977 4.520 815 HB2 LEU 107 1HB LEU 107 5.631 12.669 5.889 816 HB3 LEU 107 2HB LEU 107 4.786 14.147 6.347 817 HG LEU 107 HG LEU 107 3.553 11.398 6.469 818 HD11 LEU 107 1HD1 LEU 107 5.532 12.534 8.154 819 HD12 LEU 107 2HD1 LEU 107 4.655 11.017 8.351 820 HD13 LEU 107 3HD1 LEU 107 4.006 12.505 9.039 821 HD21 LEU 107 3HD2 LEU 107 2.291 13.777 6.393 822 HD22 LEU 107 1HD2 LEU 107 2.589 13.635 8.126 823 HD23 LEU 107 2HD2 LEU 107 1.690 12.375 7.280 824 HA PRO 108 HA PRO 108 6.239 15.390 1.562 825 HB2 PRO 108 1HB PRO 108 6.491 17.956 2.412 826 HB3 PRO 108 2HB PRO 108 5.061 17.362 1.560 827 HG2 PRO 108 1HG PRO 108 5.484 17.771 4.495 828 HG3 PRO 108 2HG PRO 108 4.070 18.170 3.502 829 HD2 PRO 108 1HD PRO 108 4.179 15.958 5.060 830 HD3 PRO 108 2HD PRO 108 3.284 16.004 3.527 831 H VAL 109 H VAL 109 8.379 15.150 1.448 832 HA VAL 109 HA VAL 109 9.964 15.016 3.850 833 HB VAL 109 HB VAL 109 10.785 14.741 0.955 834 HG11 VAL 109 1HG1 VAL 109 12.710 15.356 2.214 835 HG12 VAL 109 2HG1 VAL 109 12.290 14.240 3.516 836 HG13 VAL 109 3HG1 VAL 109 12.797 13.615 1.946 837 HG21 VAL 109 3HG2 VAL 109 10.796 12.346 1.396 838 HG22 VAL 109 1HG2 VAL 109 10.259 12.635 3.050 839 HG23 VAL 109 2HG2 VAL 109 9.197 13.025 1.697 840 H ILE 110 H ILE 110 9.448 17.283 1.252 841 HA ILE 110 HA ILE 110 11.564 18.886 1.092 842 HB ILE 110 HB ILE 110 8.767 19.883 1.645 843 HG12 ILE 110 1HG1 ILE 110 10.151 19.564 -1.018 844 HG13 ILE 110 2HG1 ILE 110 9.146 18.301 -0.315 845 HG21 ILE 110 1HG2 ILE 110 9.449 21.952 0.591 846 HG22 ILE 110 2HG2 ILE 110 10.487 21.614 1.975 847 HG23 ILE 110 3HG2 ILE 110 11.075 21.318 0.338 848 HD11 ILE 110 3HD1 ILE 110 7.772 20.831 -0.316 849 HD12 ILE 110 1HD1 ILE 110 8.323 20.398 -1.934 850 HD13 ILE 110 2HD1 ILE 110 7.298 19.287 -1.025 851 H CYS 111 H CYS 111 12.919 19.909 2.404 852 HA CYS 111 HA CYS 111 11.983 20.661 5.092 853 HB2 CYS 111 1HB CYS 111 13.441 18.631 5.135 854 HB3 CYS 111 2HB CYS 111 14.735 19.594 4.433 855 HG CYS 111 HG CYS 111 15.301 19.282 7.132 856 H LYS 112 H LYS 112 12.563 22.646 5.817 857 HA LYS 112 HA LYS 112 13.718 24.463 3.882 858 HB2 LYS 112 1HB LYS 112 12.691 24.986 6.679 859 HB3 LYS 112 2HB LYS 112 13.123 26.214 5.497 860 HG2 LYS 112 1HG LYS 112 11.089 24.202 4.715 861 HG3 LYS 112 2HG LYS 112 10.624 25.445 5.880 862 HD2 LYS 112 1HD LYS 112 10.119 26.569 3.970 863 HD3 LYS 112 2HD LYS 112 11.826 27.004 4.082 864 HE2 LYS 112 1HE LYS 112 11.266 26.290 1.825 865 HE3 LYS 112 2HE LYS 112 12.390 25.158 2.575 866 HZ1 LYS 112 3HZ LYS 112 10.244 24.350 1.309 867 HZ2 LYS 112 1HZ LYS 112 9.535 24.592 2.826 868 HZ3 LYS 112 2HZ LYS 112 10.837 23.526 2.662 869 H GLU 113 H GLU 113 15.397 26.031 4.545 870 HA GLU 113 HA GLU 113 17.135 25.366 6.727 871 HB2 GLU 113 1HB GLU 113 17.750 23.650 5.027 872 HB3 GLU 113 2HB GLU 113 18.180 24.948 3.922 873 HG2 GLU 113 1HG GLU 113 20.226 24.417 4.780 874 HG3 GLU 113 2HG GLU 113 19.734 25.704 5.879 875 H GLU 114 H GLU 114 18.527 27.021 7.234 876 HA GLU 114 HA GLU 114 17.948 29.595 6.667 877 HB2 GLU 114 1HB GLU 114 20.663 28.402 7.228 878 HB3 GLU 114 2HB GLU 114 20.356 30.133 7.209 879 HG2 GLU 114 1HG GLU 114 18.505 29.563 8.934 880 HG3 GLU 114 2HG GLU 114 19.415 28.068 9.145 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -10.311 -20.022 11.094 2 HA2 GLY 1 1HA GLY 1 -12.677 -20.232 10.616 3 HA3 GLY 1 2HA GLY 1 -11.882 -19.695 9.143 4 H SER 2 H SER 2 -13.372 -22.382 10.792 5 HA SER 2 HA SER 2 -13.123 -24.056 8.402 6 HB2 SER 2 1HB SER 2 -13.808 -25.903 9.783 7 HB3 SER 2 2HB SER 2 -12.587 -24.997 10.675 8 HG SER 2 HG SER 2 -14.682 -23.870 11.480 9 H SER 3 H SER 3 -14.767 -21.826 8.131 10 HA SER 3 HA SER 3 -17.496 -22.897 8.306 11 HB2 SER 3 1HB SER 3 -17.074 -20.650 9.285 12 HB3 SER 3 2HB SER 3 -16.602 -20.070 7.688 13 HG SER 3 HG SER 3 -18.706 -19.572 7.794 14 H GLY 4 H GLY 4 -17.087 -24.353 6.511 15 HA2 GLY 4 1HA GLY 4 -17.634 -24.869 4.319 16 HA3 GLY 4 2HA GLY 4 -17.866 -23.155 4.009 17 H SER 5 H SER 5 -16.789 -23.531 1.978 18 HA SER 5 HA SER 5 -13.864 -23.765 2.258 19 HB2 SER 5 1HB SER 5 -15.272 -25.504 0.871 20 HB3 SER 5 2HB SER 5 -15.247 -24.238 -0.357 21 HG SER 5 HG SER 5 -13.468 -25.536 -0.677 22 H SER 6 H SER 6 -13.039 -21.774 2.244 23 HA SER 6 HA SER 6 -13.349 -20.118 -0.074 24 HB2 SER 6 1HB SER 6 -14.750 -19.434 2.467 25 HB3 SER 6 2HB SER 6 -13.975 -18.121 1.580 26 HG SER 6 HG SER 6 -15.503 -18.226 0.146 27 H GLY 7 H GLY 7 -12.133 -17.946 0.324 28 HA2 GLY 7 1HA GLY 7 -10.102 -17.980 2.355 29 HA3 GLY 7 2HA GLY 7 -9.481 -18.429 0.773 30 H LEU 8 H LEU 8 -10.720 -15.860 2.748 31 HA LEU 8 HA LEU 8 -10.139 -13.940 0.591 32 HB2 LEU 8 1HB LEU 8 -11.952 -13.684 2.984 33 HB3 LEU 8 2HB LEU 8 -11.573 -12.366 1.878 34 HG LEU 8 HG LEU 8 -12.765 -14.873 0.784 35 HD11 LEU 8 1HD1 LEU 8 -14.701 -14.670 1.843 36 HD12 LEU 8 2HD1 LEU 8 -14.814 -12.971 1.382 37 HD13 LEU 8 3HD1 LEU 8 -13.983 -13.428 2.869 38 HD21 LEU 8 3HD2 LEU 8 -13.830 -13.196 -0.726 39 HD22 LEU 8 1HD2 LEU 8 -12.068 -13.220 -0.797 40 HD23 LEU 8 2HD2 LEU 8 -12.896 -11.942 0.092 41 HA PRO 9 HA PRO 9 -6.731 -12.443 2.941 42 HB2 PRO 9 1HB PRO 9 -6.543 -9.950 1.881 43 HB3 PRO 9 2HB PRO 9 -6.048 -11.405 1.008 44 HG2 PRO 9 1HG PRO 9 -8.591 -9.840 0.795 45 HG3 PRO 9 2HG PRO 9 -7.594 -10.535 -0.496 46 HD2 PRO 9 1HD PRO 9 -9.859 -11.722 0.393 47 HD3 PRO 9 2HD PRO 9 -8.468 -12.648 -0.207 48 H GLN 10 H GLN 10 -6.500 -11.539 4.899 49 HA GLN 10 HA GLN 10 -8.516 -9.571 5.763 50 HB2 GLN 10 1HB GLN 10 -8.820 -11.746 6.870 51 HB3 GLN 10 2HB GLN 10 -7.158 -11.687 7.443 52 HG2 GLN 10 1HG GLN 10 -7.626 -9.847 8.867 53 HG3 GLN 10 2HG GLN 10 -9.220 -9.618 8.149 54 HE21 GLN 10 1HE2 GLN 10 -7.533 -10.955 10.683 55 HE22 GLN 10 2HE2 GLN 10 -8.749 -12.026 11.283 56 H VAL 11 H VAL 11 -7.831 -7.793 6.890 57 HA VAL 11 HA VAL 11 -4.928 -7.529 7.323 58 HB VAL 11 HB VAL 11 -6.797 -5.456 6.170 59 HG11 VAL 11 1HG1 VAL 11 -4.392 -5.134 7.721 60 HG12 VAL 11 2HG1 VAL 11 -4.173 -4.502 6.088 61 HG13 VAL 11 3HG1 VAL 11 -5.495 -3.909 7.095 62 HG21 VAL 11 3HG2 VAL 11 -5.484 -7.416 4.854 63 HG22 VAL 11 1HG2 VAL 11 -5.855 -5.839 4.157 64 HG23 VAL 11 2HG2 VAL 11 -4.259 -6.147 4.843 65 H GLU 12 H GLU 12 -4.984 -7.822 9.520 66 HA GLU 12 HA GLU 12 -6.891 -6.741 11.273 67 HB2 GLU 12 1HB GLU 12 -5.060 -8.567 11.647 68 HB3 GLU 12 2HB GLU 12 -4.055 -7.206 12.123 69 HG2 GLU 12 1HG GLU 12 -6.686 -7.975 13.367 70 HG3 GLU 12 2HG GLU 12 -5.088 -8.273 14.048 71 H ALA 13 H ALA 13 -3.521 -5.666 10.792 72 HA ALA 13 HA ALA 13 -4.373 -2.892 10.966 73 HB1 ALA 13 3HB ALA 13 -3.314 -2.309 12.900 74 HB2 ALA 13 1HB ALA 13 -3.777 -3.961 13.309 75 HB3 ALA 13 2HB ALA 13 -2.131 -3.612 12.778 76 H TYR 14 H TYR 14 -2.193 -1.494 10.954 77 HA TYR 14 HA TYR 14 -0.062 -2.676 9.417 78 HB2 TYR 14 1HB TYR 14 -0.337 -1.162 7.475 79 HB3 TYR 14 2HB TYR 14 -1.665 -2.306 7.631 80 HD1 TYR 14 1HD TYR 14 -0.722 1.191 8.526 81 HD2 TYR 14 2HD TYR 14 -3.853 -1.529 7.576 82 HE1 TYR 14 1HE TYR 14 -2.324 3.057 8.490 83 HE2 TYR 14 2HE TYR 14 -5.464 0.330 7.536 84 HH TYR 14 HH TYR 14 -5.009 3.149 7.086 85 H SER 15 H SER 15 1.806 -1.590 9.694 86 HA SER 15 HA SER 15 1.724 1.185 10.623 87 HB2 SER 15 1HB SER 15 3.379 0.651 12.414 88 HB3 SER 15 2HB SER 15 1.805 -0.099 12.678 89 HG SER 15 HG SER 15 2.712 -2.024 11.739 90 HA PRO 16 HA PRO 16 3.441 2.475 11.606 91 HB2 PRO 16 1HB PRO 16 4.185 4.807 10.431 92 HB3 PRO 16 2HB PRO 16 5.321 3.757 11.287 93 HG2 PRO 16 1HG PRO 16 4.815 4.002 8.347 94 HG3 PRO 16 2HG PRO 16 6.359 3.868 9.209 95 HD2 PRO 16 1HD PRO 16 5.194 1.760 7.971 96 HD3 PRO 16 2HD PRO 16 6.176 1.582 9.439 97 H SER 17 H SER 17 1.920 4.311 11.712 98 HA SER 17 HA SER 17 -0.339 3.851 10.037 99 HB2 SER 17 1HB SER 17 -1.374 5.707 11.330 100 HB3 SER 17 2HB SER 17 -0.650 4.478 12.368 101 HG SER 17 HG SER 17 1.131 5.840 12.655 102 H ALA 18 H ALA 18 2.435 5.596 9.536 103 HA ALA 18 HA ALA 18 1.426 6.818 7.168 104 HB1 ALA 18 3HB ALA 18 1.887 8.526 9.579 105 HB2 ALA 18 1HB ALA 18 2.155 9.172 7.960 106 HB3 ALA 18 2HB ALA 18 0.562 8.566 8.416 107 H CYS 19 H CYS 19 3.073 7.617 5.819 108 HA CYS 19 HA CYS 19 5.821 7.420 6.808 109 HB2 CYS 19 1HB CYS 19 4.562 5.711 4.724 110 HB3 CYS 19 2HB CYS 19 6.202 6.273 4.419 111 HG CYS 19 HG CYS 19 6.825 5.281 7.200 112 H SER 20 H SER 20 7.296 7.942 4.702 113 HA SER 20 HA SER 20 6.532 10.642 4.004 114 HB2 SER 20 1HB SER 20 9.023 9.000 3.570 115 HB3 SER 20 2HB SER 20 8.819 10.591 2.837 116 HG SER 20 HG SER 20 8.273 11.196 5.157 117 H VAL 21 H VAL 21 6.840 11.417 1.738 118 HA VAL 21 HA VAL 21 5.229 9.844 -0.031 119 HB VAL 21 HB VAL 21 5.779 11.723 -1.676 120 HG11 VAL 21 1HG1 VAL 21 3.691 11.652 -0.464 121 HG12 VAL 21 2HG1 VAL 21 4.458 12.356 0.961 122 HG13 VAL 21 3HG1 VAL 21 4.286 13.311 -0.512 123 HG21 VAL 21 3HG2 VAL 21 7.226 13.338 -1.145 124 HG22 VAL 21 1HG2 VAL 21 6.545 13.522 0.472 125 HG23 VAL 21 2HG2 VAL 21 7.763 12.284 0.164 126 H ARG 22 H ARG 22 8.530 9.940 0.638 127 HA ARG 22 HA ARG 22 9.387 9.180 -2.032 128 HB2 ARG 22 1HB ARG 22 11.597 9.329 -1.231 129 HB3 ARG 22 2HB ARG 22 10.736 10.635 -0.427 130 HG2 ARG 22 1HG ARG 22 10.547 9.286 1.591 131 HG3 ARG 22 2HG ARG 22 11.382 7.956 0.785 132 HD2 ARG 22 1HD ARG 22 13.358 9.383 0.504 133 HD3 ARG 22 2HD ARG 22 12.521 10.695 1.333 134 HE ARG 22 HE ARG 22 12.413 8.685 3.129 135 HH11 ARG 22 1HH1 ARG 22 15.016 10.096 1.297 136 HH12 ARG 22 2HH1 ARG 22 16.217 9.766 2.502 137 HH21 ARG 22 1HH2 ARG 22 13.985 8.245 4.723 138 HH22 ARG 22 2HH2 ARG 22 15.629 8.712 4.450 139 H GLY 23 H GLY 23 8.017 7.639 0.582 140 HA2 GLY 23 1HA GLY 23 7.878 5.445 1.264 141 HA3 GLY 23 2HA GLY 23 8.068 5.092 -0.447 142 H GLY 24 H GLY 24 9.611 3.654 -0.813 143 HA2 GLY 24 1HA GLY 24 11.529 2.414 -0.567 144 HA3 GLY 24 2HA GLY 24 12.287 3.955 -0.194 145 H GLU 25 H GLU 25 9.748 2.953 1.887 146 HA GLU 25 HA GLU 25 11.739 2.318 3.957 147 HB2 GLU 25 1HB GLU 25 9.020 3.579 4.055 148 HB3 GLU 25 2HB GLU 25 9.674 2.787 5.482 149 HG2 GLU 25 1HG GLU 25 11.715 4.266 5.182 150 HG3 GLU 25 2HG GLU 25 10.745 5.182 4.029 151 H GLU 26 H GLU 26 10.963 0.775 5.662 152 HA GLU 26 HA GLU 26 9.903 -1.589 4.349 153 HB2 GLU 26 1HB GLU 26 11.896 -1.854 5.707 154 HB3 GLU 26 2HB GLU 26 11.073 -1.174 7.104 155 HG2 GLU 26 1HG GLU 26 9.450 -3.114 6.903 156 HG3 GLU 26 2HG GLU 26 10.607 -3.823 5.778 157 H LEU 27 H LEU 27 7.765 -1.795 4.264 158 HA LEU 27 HA LEU 27 6.163 -0.916 6.568 159 HB2 LEU 27 1HB LEU 27 5.480 0.184 4.577 160 HB3 LEU 27 2HB LEU 27 5.468 -1.327 3.671 161 HG LEU 27 HG LEU 27 3.548 -2.062 5.117 162 HD11 LEU 27 1HD1 LEU 27 2.516 -0.670 6.605 163 HD12 LEU 27 2HD1 LEU 27 3.087 0.794 5.806 164 HD13 LEU 27 3HD1 LEU 27 4.189 -0.149 6.810 165 HD21 LEU 27 3HD2 LEU 27 2.690 0.433 3.764 166 HD22 LEU 27 1HD2 LEU 27 2.050 -1.205 3.638 167 HD23 LEU 27 2HD2 LEU 27 3.536 -0.773 2.792 168 H VAL 28 H VAL 28 4.891 -2.320 7.664 169 HA VAL 28 HA VAL 28 4.834 -5.112 6.719 170 HB VAL 28 HB VAL 28 4.982 -4.214 9.600 171 HG11 VAL 28 1HG1 VAL 28 3.786 -6.411 8.892 172 HG12 VAL 28 2HG1 VAL 28 5.426 -7.007 8.629 173 HG13 VAL 28 3HG1 VAL 28 4.939 -6.438 10.226 174 HG21 VAL 28 3HG2 VAL 28 7.045 -4.531 7.650 175 HG22 VAL 28 1HG2 VAL 28 7.184 -4.088 9.351 176 HG23 VAL 28 2HG2 VAL 28 7.212 -5.786 8.877 177 H LEU 29 H LEU 29 2.873 -5.965 6.486 178 HA LEU 29 HA LEU 29 0.588 -4.536 7.663 179 HB2 LEU 29 1HB LEU 29 0.829 -6.290 5.232 180 HB3 LEU 29 2HB LEU 29 -0.725 -5.808 5.910 181 HG LEU 29 HG LEU 29 1.283 -3.736 5.107 182 HD11 LEU 29 1HD1 LEU 29 0.745 -5.502 3.264 183 HD12 LEU 29 2HD1 LEU 29 0.690 -3.781 2.885 184 HD13 LEU 29 3HD1 LEU 29 -0.805 -4.665 3.189 185 HD21 LEU 29 3HD2 LEU 29 -1.520 -3.851 5.925 186 HD22 LEU 29 1HD2 LEU 29 -1.236 -2.872 4.486 187 HD23 LEU 29 2HD2 LEU 29 -0.373 -2.512 5.981 188 H THR 30 H THR 30 -0.100 -5.453 9.478 189 HA THR 30 HA THR 30 0.298 -8.263 10.005 190 HB THR 30 HB THR 30 -1.396 -6.520 11.752 191 HG1 THR 30 1HG THR 30 1.430 -6.485 11.933 192 HG21 THR 30 3HG2 THR 30 0.754 -8.197 12.850 193 HG22 THR 30 1HG2 THR 30 -0.506 -9.078 11.988 194 HG23 THR 30 2HG2 THR 30 -0.929 -8.041 13.350 195 H GLY 31 H GLY 31 -1.113 -9.854 9.656 196 HA2 GLY 31 1HA GLY 31 -3.918 -9.597 9.902 197 HA3 GLY 31 2HA GLY 31 -3.472 -9.513 8.205 198 H SER 32 H SER 32 -4.613 -11.451 7.800 199 HA SER 32 HA SER 32 -3.010 -13.820 8.279 200 HB2 SER 32 1HB SER 32 -4.758 -13.518 10.182 201 HB3 SER 32 2HB SER 32 -5.933 -14.007 8.960 202 HG SER 32 HG SER 32 -4.242 -15.533 10.380 203 H ASN 33 H ASN 33 -4.074 -15.761 7.138 204 HA ASN 33 HA ASN 33 -4.663 -16.696 5.149 205 HB2 ASN 33 1HB ASN 33 -6.753 -14.603 5.592 206 HB3 ASN 33 2HB ASN 33 -6.723 -15.461 4.054 207 HD21 ASN 33 1HD2 ASN 33 -8.432 -16.762 4.193 208 HD22 ASN 33 2HD2 ASN 33 -8.699 -17.923 5.444 209 H PHE 34 H PHE 34 -2.463 -15.133 4.911 210 HA PHE 34 HA PHE 34 -2.853 -13.449 2.550 211 HB2 PHE 34 1HB PHE 34 -0.573 -13.793 4.488 212 HB3 PHE 34 2HB PHE 34 -0.365 -12.945 2.959 213 HD1 PHE 34 1HD PHE 34 -2.792 -11.415 2.672 214 HD2 PHE 34 2HD PHE 34 -0.512 -12.228 6.172 215 HE1 PHE 34 1HE PHE 34 -3.642 -9.349 3.701 216 HE2 PHE 34 2HE PHE 34 -1.359 -10.164 7.208 217 HZ PHE 34 HZ PHE 34 -2.927 -8.721 5.973 218 H LEU 35 H LEU 35 -2.070 -13.944 0.567 219 HA LEU 35 HA LEU 35 -1.176 -16.670 0.145 220 HB2 LEU 35 1HB LEU 35 -1.998 -14.429 -1.672 221 HB3 LEU 35 2HB LEU 35 -1.254 -15.898 -2.300 222 HG LEU 35 HG LEU 35 -3.683 -16.111 -0.575 223 HD11 LEU 35 1HD1 LEU 35 -4.655 -16.147 -3.150 224 HD12 LEU 35 2HD1 LEU 35 -3.554 -14.770 -3.152 225 HD13 LEU 35 3HD1 LEU 35 -4.867 -14.847 -1.977 226 HD21 LEU 35 3HD2 LEU 35 -2.859 -17.694 -2.997 227 HD22 LEU 35 1HD2 LEU 35 -4.021 -18.135 -1.746 228 HD23 LEU 35 2HD2 LEU 35 -2.299 -18.074 -1.368 229 HA PRO 36 HA PRO 36 3.113 -15.841 -0.296 230 HB2 PRO 36 1HB PRO 36 3.801 -17.696 -2.156 231 HB3 PRO 36 2HB PRO 36 3.404 -18.112 -0.484 232 HG2 PRO 36 1HG PRO 36 1.687 -18.262 -2.932 233 HG3 PRO 36 2HG PRO 36 1.854 -19.431 -1.609 234 HD2 PRO 36 1HD PRO 36 -0.225 -17.704 -1.773 235 HD3 PRO 36 2HD PRO 36 0.440 -18.253 -0.221 236 H ASP 37 H ASP 37 0.945 -15.490 -2.929 237 HA ASP 37 HA ASP 37 2.992 -14.010 -4.449 238 HB2 ASP 37 1HB ASP 37 1.255 -14.431 -6.381 239 HB3 ASP 37 2HB ASP 37 2.417 -15.679 -5.937 240 H SER 38 H SER 38 0.720 -13.421 -2.335 241 HA SER 38 HA SER 38 -1.268 -11.847 -3.271 242 HB2 SER 38 1HB SER 38 0.509 -11.499 -0.867 243 HB3 SER 38 2HB SER 38 -0.795 -10.359 -1.201 244 HG SER 38 HG SER 38 -2.156 -12.329 -1.327 245 H LYS 39 H LYS 39 -1.534 -9.572 -3.635 246 HA LYS 39 HA LYS 39 0.914 -8.198 -4.522 247 HB2 LYS 39 1HB LYS 39 -1.609 -8.728 -6.008 248 HB3 LYS 39 2HB LYS 39 -0.843 -7.163 -6.248 249 HG2 LYS 39 1HG LYS 39 1.167 -8.191 -7.030 250 HG3 LYS 39 2HG LYS 39 0.571 -9.796 -6.602 251 HD2 LYS 39 1HD LYS 39 -0.847 -9.897 -8.396 252 HD3 LYS 39 2HD LYS 39 -1.055 -8.146 -8.468 253 HE2 LYS 39 1HE LYS 39 0.831 -7.837 -9.720 254 HE3 LYS 39 2HE LYS 39 1.640 -9.252 -9.049 255 HZ1 LYS 39 3HZ LYS 39 -0.726 -9.689 -10.713 256 HZ2 LYS 39 1HZ LYS 39 0.666 -10.636 -10.545 257 HZ3 LYS 39 2HZ LYS 39 0.707 -9.233 -11.489 258 H VAL 40 H VAL 40 1.008 -5.998 -4.176 259 HA VAL 40 HA VAL 40 -1.263 -4.798 -2.731 260 HB VAL 40 HB VAL 40 1.671 -4.459 -2.094 261 HG11 VAL 40 1HG1 VAL 40 -0.747 -3.133 -0.872 262 HG12 VAL 40 2HG1 VAL 40 0.903 -3.013 -0.259 263 HG13 VAL 40 3HG1 VAL 40 0.499 -2.349 -1.842 264 HG21 VAL 40 3HG2 VAL 40 1.399 -6.117 -0.641 265 HG22 VAL 40 1HG2 VAL 40 0.085 -5.233 0.135 266 HG23 VAL 40 2HG2 VAL 40 -0.259 -6.334 -1.199 267 H VAL 41 H VAL 41 -2.085 -3.350 -4.105 268 HA VAL 41 HA VAL 41 -0.221 -1.603 -5.575 269 HB VAL 41 HB VAL 41 -1.819 -1.327 -7.287 270 HG11 VAL 41 1HG1 VAL 41 -2.587 -3.870 -7.603 271 HG12 VAL 41 2HG1 VAL 41 -0.929 -3.329 -7.869 272 HG13 VAL 41 3HG1 VAL 41 -1.374 -4.094 -6.343 273 HG21 VAL 41 3HG2 VAL 41 -3.789 -2.607 -5.401 274 HG22 VAL 41 1HG2 VAL 41 -3.813 -0.963 -6.038 275 HG23 VAL 41 2HG2 VAL 41 -4.116 -2.329 -7.112 276 H PHE 42 H PHE 42 -0.744 0.628 -5.765 277 HA PHE 42 HA PHE 42 -2.463 1.608 -3.583 278 HB2 PHE 42 1HB PHE 42 0.110 2.665 -4.727 279 HB3 PHE 42 2HB PHE 42 -0.983 3.713 -3.829 280 HD1 PHE 42 2HD PHE 42 0.945 0.553 -3.571 281 HD2 PHE 42 1HD PHE 42 -0.921 3.773 -1.505 282 HE1 PHE 42 2HE PHE 42 1.935 -0.232 -1.460 283 HE2 PHE 42 1HE PHE 42 0.067 2.994 0.609 284 HZ PHE 42 HZ PHE 42 1.496 0.988 0.634 285 H ILE 43 H ILE 43 -3.932 3.217 -3.981 286 HA ILE 43 HA ILE 43 -4.231 4.044 -6.795 287 HB ILE 43 HB ILE 43 -6.637 4.071 -6.511 288 HG12 ILE 43 1HG1 ILE 43 -6.178 2.941 -3.744 289 HG13 ILE 43 2HG1 ILE 43 -6.587 4.623 -4.066 290 HG21 ILE 43 1HG2 ILE 43 -6.414 1.414 -5.491 291 HG22 ILE 43 2HG2 ILE 43 -6.655 1.949 -7.153 292 HG23 ILE 43 3HG2 ILE 43 -5.022 1.762 -6.515 293 HD11 ILE 43 3HD1 ILE 43 -8.746 4.155 -4.309 294 HD12 ILE 43 1HD1 ILE 43 -8.420 2.747 -5.319 295 HD13 ILE 43 2HD1 ILE 43 -8.361 2.604 -3.562 296 H GLU 44 H GLU 44 -5.238 6.121 -7.146 297 HA GLU 44 HA GLU 44 -5.226 7.934 -4.847 298 HB2 GLU 44 1HB GLU 44 -3.029 8.235 -5.748 299 HB3 GLU 44 2HB GLU 44 -3.650 8.315 -7.391 300 HG2 GLU 44 1HG GLU 44 -4.965 10.381 -6.457 301 HG3 GLU 44 2HG GLU 44 -3.684 10.374 -5.246 302 H ARG 45 H ARG 45 -6.723 9.545 -4.940 303 HA ARG 45 HA ARG 45 -8.624 9.402 -7.154 304 HB2 ARG 45 1HB ARG 45 -8.749 10.452 -4.346 305 HB3 ARG 45 2HB ARG 45 -9.929 10.980 -5.539 306 HG2 ARG 45 1HG ARG 45 -10.841 8.852 -5.762 307 HG3 ARG 45 2HG ARG 45 -9.424 8.069 -5.061 308 HD2 ARG 45 1HD ARG 45 -10.047 8.559 -2.910 309 HD3 ARG 45 2HD ARG 45 -10.954 9.994 -3.387 310 HE ARG 45 HE ARG 45 -12.000 7.406 -3.024 311 HH11 ARG 45 1HH1 ARG 45 -12.221 10.132 -5.178 312 HH12 ARG 45 2HH1 ARG 45 -13.854 9.793 -5.650 313 HH21 ARG 45 1HH2 ARG 45 -14.149 6.949 -3.637 314 HH22 ARG 45 2HH2 ARG 45 -14.950 7.983 -4.771 315 H GLY 46 H GLY 46 -9.033 11.052 -8.536 316 HA2 GLY 46 1HA GLY 46 -7.316 13.436 -8.259 317 HA3 GLY 46 2HA GLY 46 -7.882 12.781 -9.789 318 HA PRO 47 HA PRO 47 -10.626 16.314 -8.342 319 HB2 PRO 47 1HB PRO 47 -10.180 17.933 -10.475 320 HB3 PRO 47 2HB PRO 47 -9.181 17.968 -9.018 321 HG2 PRO 47 1HG PRO 47 -8.659 16.621 -11.640 322 HG3 PRO 47 2HG PRO 47 -7.547 17.551 -10.619 323 HD2 PRO 47 1HD PRO 47 -7.575 14.844 -10.651 324 HD3 PRO 47 2HD PRO 47 -7.169 15.778 -9.196 325 H ASP 48 H ASP 48 -10.067 14.976 -11.582 326 HA ASP 48 HA ASP 48 -12.422 15.598 -12.838 327 HB2 ASP 48 1HB ASP 48 -10.741 13.098 -12.991 328 HB3 ASP 48 2HB ASP 48 -12.127 13.369 -14.044 329 H GLY 49 H GLY 49 -11.863 13.167 -10.373 330 HA2 GLY 49 1HA GLY 49 -13.876 12.784 -8.943 331 HA3 GLY 49 2HA GLY 49 -14.747 12.525 -10.448 332 H LYS 50 H LYS 50 -12.256 11.123 -11.496 333 HA LYS 50 HA LYS 50 -12.822 8.536 -10.212 334 HB2 LYS 50 1HB LYS 50 -11.676 9.029 -12.965 335 HB3 LYS 50 2HB LYS 50 -12.188 7.484 -12.298 336 HG2 LYS 50 1HG LYS 50 -14.500 8.649 -12.069 337 HG3 LYS 50 2HG LYS 50 -13.844 9.770 -13.265 338 HD2 LYS 50 1HD LYS 50 -13.702 8.144 -14.902 339 HD3 LYS 50 2HD LYS 50 -13.648 6.824 -13.732 340 HE2 LYS 50 1HE LYS 50 -16.085 8.544 -14.075 341 HE3 LYS 50 2HE LYS 50 -15.798 7.129 -15.086 342 HZ1 LYS 50 3HZ LYS 50 -15.930 7.092 -12.119 343 HZ2 LYS 50 1HZ LYS 50 -15.760 5.748 -13.133 344 HZ3 LYS 50 2HZ LYS 50 -17.195 6.643 -13.148 345 H LEU 51 H LEU 51 -11.116 7.109 -9.749 346 HA LEU 51 HA LEU 51 -8.565 8.459 -9.278 347 HB2 LEU 51 1HB LEU 51 -8.131 6.288 -7.959 348 HB3 LEU 51 2HB LEU 51 -9.258 7.476 -7.307 349 HG LEU 51 HG LEU 51 -11.137 6.110 -8.122 350 HD11 LEU 51 1HD1 LEU 51 -8.910 4.504 -9.250 351 HD12 LEU 51 2HD1 LEU 51 -10.502 4.864 -9.919 352 HD13 LEU 51 3HD1 LEU 51 -10.332 3.649 -8.652 353 HD21 LEU 51 3HD2 LEU 51 -9.302 4.380 -6.491 354 HD22 LEU 51 1HD2 LEU 51 -11.057 4.519 -6.399 355 HD23 LEU 51 2HD2 LEU 51 -10.038 5.844 -5.837 356 H GLN 52 H GLN 52 -6.669 7.834 -10.182 357 HA GLN 52 HA GLN 52 -6.489 5.350 -11.667 358 HB2 GLN 52 1HB GLN 52 -5.522 6.763 -13.647 359 HB3 GLN 52 2HB GLN 52 -7.258 6.521 -13.502 360 HG2 GLN 52 1HG GLN 52 -7.412 8.724 -12.367 361 HG3 GLN 52 2HG GLN 52 -5.697 8.964 -12.700 362 HE21 GLN 52 1HE2 GLN 52 -5.402 10.281 -14.334 363 HE22 GLN 52 2HE2 GLN 52 -6.353 10.357 -15.774 364 H TRP 53 H TRP 53 -4.739 4.565 -10.665 365 HA TRP 53 HA TRP 53 -2.227 5.976 -10.985 366 HB2 TRP 53 1HB TRP 53 -3.275 6.682 -8.755 367 HB3 TRP 53 2HB TRP 53 -2.975 5.030 -8.223 368 HD1 TRP 53 HD TRP 53 -0.372 6.677 -10.445 369 HE1 TRP 53 1HE TRP 53 1.745 7.140 -9.055 370 HE3 TRP 53 3HE TRP 53 -2.194 5.575 -5.797 371 HZ2 TRP 53 2HZ TRP 53 2.537 7.049 -6.348 372 HZ3 TRP 53 3HZ TRP 53 -0.692 5.788 -3.860 373 HH2 TRP 53 HH TRP 53 1.625 6.509 -4.132 374 H GLU 54 H GLU 54 -0.920 4.513 -11.844 375 HA GLU 54 HA GLU 54 -1.236 1.696 -11.055 376 HB2 GLU 54 1HB GLU 54 -1.489 2.408 -13.500 377 HB3 GLU 54 2HB GLU 54 0.246 2.692 -13.481 378 HG2 GLU 54 1HG GLU 54 0.571 0.328 -12.803 379 HG3 GLU 54 2HG GLU 54 -1.163 0.079 -12.997 380 H GLU 55 H GLU 55 0.085 1.439 -9.327 381 HA GLU 55 HA GLU 55 2.949 1.785 -9.809 382 HB2 GLU 55 1HB GLU 55 1.352 3.097 -7.664 383 HB3 GLU 55 2HB GLU 55 2.951 2.500 -7.243 384 HG2 GLU 55 1HG GLU 55 2.508 4.284 -9.609 385 HG3 GLU 55 2HG GLU 55 2.741 4.928 -7.985 386 H GLU 56 H GLU 56 3.899 -0.102 -9.468 387 HA GLU 56 HA GLU 56 2.601 -2.078 -7.753 388 HB2 GLU 56 1HB GLU 56 3.333 -2.679 -10.069 389 HB3 GLU 56 2HB GLU 56 4.997 -2.427 -9.560 390 HG2 GLU 56 1HG GLU 56 4.506 -4.163 -7.746 391 HG3 GLU 56 2HG GLU 56 3.079 -4.558 -8.701 392 H ALA 57 H ALA 57 3.425 -2.793 -5.869 393 HA ALA 57 HA ALA 57 5.902 -1.517 -4.928 394 HB1 ALA 57 3HB ALA 57 3.901 -2.861 -3.145 395 HB2 ALA 57 1HB ALA 57 5.083 -1.613 -2.748 396 HB3 ALA 57 2HB ALA 57 3.661 -1.208 -3.711 397 H THR 58 H THR 58 7.561 -2.709 -4.064 398 HA THR 58 HA THR 58 7.732 -5.451 -4.900 399 HB THR 58 HB THR 58 9.674 -3.790 -3.283 400 HG1 THR 58 1HG THR 58 9.940 -4.544 -5.999 401 HG21 THR 58 3HG2 THR 58 10.530 -5.839 -2.839 402 HG22 THR 58 1HG2 THR 58 11.180 -5.684 -4.471 403 HG23 THR 58 2HG2 THR 58 9.697 -6.599 -4.195 404 H VAL 59 H VAL 59 7.741 -7.281 -3.665 405 HA VAL 59 HA VAL 59 7.031 -6.945 -0.823 406 HB VAL 59 HB VAL 59 6.166 -9.121 -2.732 407 HG11 VAL 59 1HG1 VAL 59 4.755 -9.194 -0.269 408 HG12 VAL 59 2HG1 VAL 59 5.795 -10.431 -0.979 409 HG13 VAL 59 3HG1 VAL 59 6.482 -9.204 0.087 410 HG21 VAL 59 3HG2 VAL 59 3.885 -8.115 -1.797 411 HG22 VAL 59 1HG2 VAL 59 4.890 -6.673 -1.652 412 HG23 VAL 59 2HG2 VAL 59 4.692 -7.457 -3.219 413 H ASN 60 H ASN 60 8.500 -7.670 0.556 414 HA ASN 60 HA ASN 60 10.632 -9.412 -0.380 415 HB2 ASN 60 1HB ASN 60 10.875 -7.299 1.132 416 HB3 ASN 60 2HB ASN 60 10.401 -8.387 2.433 417 HD21 ASN 60 1HD2 ASN 60 12.359 -8.301 3.468 418 HD22 ASN 60 2HD2 ASN 60 13.794 -9.020 2.828 419 H ARG 61 H ARG 61 9.768 -11.446 -0.565 420 HA ARG 61 HA ARG 61 8.036 -12.657 1.291 421 HB2 ARG 61 1HB ARG 61 9.873 -13.752 -0.825 422 HB3 ARG 61 2HB ARG 61 8.926 -14.816 0.206 423 HG2 ARG 61 1HG ARG 61 7.691 -12.622 -1.432 424 HG3 ARG 61 2HG ARG 61 7.937 -14.258 -2.045 425 HD2 ARG 61 1HD ARG 61 6.478 -13.734 0.526 426 HD3 ARG 61 2HD ARG 61 5.654 -13.690 -1.033 427 HE ARG 61 HE ARG 61 6.859 -16.075 -1.125 428 HH11 ARG 61 1HH1 ARG 61 4.960 -14.546 1.361 429 HH12 ARG 61 2HH1 ARG 61 4.342 -16.039 1.988 430 HH21 ARG 61 1HH2 ARG 61 6.053 -18.046 -0.308 431 HH22 ARG 61 2HH2 ARG 61 4.965 -18.028 1.039 432 H LEU 62 H LEU 62 11.470 -12.228 1.259 433 HA LEU 62 HA LEU 62 12.252 -14.309 2.967 434 HB2 LEU 62 1HB LEU 62 13.385 -11.624 2.301 435 HB3 LEU 62 2HB LEU 62 14.116 -12.599 3.574 436 HG LEU 62 HG LEU 62 13.769 -13.528 0.727 437 HD11 LEU 62 1HD1 LEU 62 16.267 -12.484 2.047 438 HD12 LEU 62 2HD1 LEU 62 15.273 -11.560 0.921 439 HD13 LEU 62 3HD1 LEU 62 16.086 -13.028 0.379 440 HD21 LEU 62 3HD2 LEU 62 15.801 -14.675 2.528 441 HD22 LEU 62 1HD2 LEU 62 14.768 -15.457 1.332 442 HD23 LEU 62 2HD2 LEU 62 14.122 -15.046 2.921 443 H GLN 63 H GLN 63 10.351 -11.580 3.584 444 HA GLN 63 HA GLN 63 10.728 -11.934 6.485 445 HB2 GLN 63 1HB GLN 63 10.091 -9.395 4.975 446 HB3 GLN 63 2HB GLN 63 10.035 -9.545 6.726 447 HG2 GLN 63 1HG GLN 63 12.510 -10.125 5.130 448 HG3 GLN 63 2HG GLN 63 12.118 -8.517 5.739 449 HE21 GLN 63 1HE2 GLN 63 11.757 -8.346 8.084 450 HE22 GLN 63 2HE2 GLN 63 12.711 -9.332 9.134 451 H SER 64 H SER 64 8.482 -11.291 3.855 452 HA SER 64 HA SER 64 6.134 -11.097 5.396 453 HB2 SER 64 1HB SER 64 4.986 -11.087 3.385 454 HB3 SER 64 2HB SER 64 6.594 -10.600 2.849 455 HG SER 64 HG SER 64 5.169 -12.807 2.208 456 H ASN 65 H ASN 65 4.728 -12.584 6.174 457 HA ASN 65 HA ASN 65 5.389 -15.421 5.731 458 HB2 ASN 65 1HB ASN 65 4.098 -14.534 8.278 459 HB3 ASN 65 2HB ASN 65 5.143 -15.919 7.977 460 HD21 ASN 65 1HD2 ASN 65 5.012 -13.159 9.601 461 HD22 ASN 65 2HD2 ASN 65 6.681 -12.712 9.621 462 H GLU 66 H GLU 66 3.342 -16.703 6.830 463 HA GLU 66 HA GLU 66 1.241 -16.345 4.978 464 HB2 GLU 66 1HB GLU 66 0.285 -18.245 5.898 465 HB3 GLU 66 2HB GLU 66 1.984 -18.465 6.289 466 HG2 GLU 66 1HG GLU 66 1.398 -17.337 8.523 467 HG3 GLU 66 2HG GLU 66 -0.274 -17.689 8.090 468 H VAL 67 H VAL 67 1.845 -15.039 8.115 469 HA VAL 67 HA VAL 67 -0.841 -13.822 8.113 470 HB VAL 67 HB VAL 67 -0.567 -13.616 10.604 471 HG11 VAL 67 1HG1 VAL 67 -1.706 -15.552 9.184 472 HG12 VAL 67 2HG1 VAL 67 -0.478 -16.519 10.005 473 HG13 VAL 67 3HG1 VAL 67 -1.645 -15.590 10.946 474 HG21 VAL 67 3HG2 VAL 67 1.086 -14.813 11.765 475 HG22 VAL 67 1HG2 VAL 67 1.553 -15.725 10.329 476 HG23 VAL 67 2HG2 VAL 67 1.951 -14.011 10.454 477 H THR 68 H THR 68 1.861 -12.965 7.023 478 HA THR 68 HA THR 68 1.695 -10.234 7.975 479 HB THR 68 HB THR 68 4.421 -11.499 8.029 480 HG1 THR 68 1HG THR 68 2.623 -11.249 10.231 481 HG21 THR 68 3HG2 THR 68 5.105 -9.559 9.068 482 HG22 THR 68 1HG2 THR 68 3.504 -9.216 9.722 483 HG23 THR 68 2HG2 THR 68 3.837 -8.938 8.012 484 H LEU 69 H LEU 69 2.169 -8.798 6.403 485 HA LEU 69 HA LEU 69 3.413 -9.842 3.944 486 HB2 LEU 69 1HB LEU 69 1.031 -8.098 4.360 487 HB3 LEU 69 2HB LEU 69 2.011 -7.875 2.913 488 HG LEU 69 HG LEU 69 0.487 -10.346 3.726 489 HD11 LEU 69 1HD1 LEU 69 -1.135 -9.288 2.621 490 HD12 LEU 69 2HD1 LEU 69 -0.204 -9.635 1.165 491 HD13 LEU 69 3HD1 LEU 69 -0.027 -8.078 1.974 492 HD21 LEU 69 3HD2 LEU 69 2.294 -11.339 2.738 493 HD22 LEU 69 1HD2 LEU 69 2.663 -9.932 1.739 494 HD23 LEU 69 2HD2 LEU 69 1.319 -10.991 1.309 495 H THR 70 H THR 70 5.441 -9.080 3.996 496 HA THR 70 HA THR 70 5.920 -6.319 4.844 497 HB THR 70 HB THR 70 7.917 -8.504 4.224 498 HG1 THR 70 1HG THR 70 7.311 -9.147 6.151 499 HG21 THR 70 3HG2 THR 70 9.311 -6.818 5.708 500 HG22 THR 70 1HG2 THR 70 8.170 -5.651 5.042 501 HG23 THR 70 2HG2 THR 70 9.183 -6.610 3.962 502 H LEU 71 H LEU 71 6.133 -4.756 3.392 503 HA LEU 71 HA LEU 71 7.294 -5.365 0.776 504 HB2 LEU 71 1HB LEU 71 5.571 -4.393 -0.461 505 HB3 LEU 71 2HB LEU 71 4.750 -5.414 0.719 506 HG LEU 71 HG LEU 71 5.127 -2.526 1.350 507 HD11 LEU 71 1HD1 LEU 71 4.321 -2.514 -0.955 508 HD12 LEU 71 2HD1 LEU 71 3.078 -1.954 0.163 509 HD13 LEU 71 3HD1 LEU 71 2.996 -3.586 -0.502 510 HD21 LEU 71 3HD2 LEU 71 3.958 -4.602 2.652 511 HD22 LEU 71 1HD2 LEU 71 2.577 -3.907 1.803 512 HD23 LEU 71 2HD2 LEU 71 3.538 -2.905 2.891 513 H THR 72 H THR 72 7.688 -3.263 -0.467 514 HA THR 72 HA THR 72 8.779 -1.297 1.426 515 HB THR 72 HB THR 72 9.527 -1.812 -1.459 516 HG1 THR 72 1HG THR 72 11.185 -2.186 0.803 517 HG21 THR 72 3HG2 THR 72 10.805 0.038 0.557 518 HG22 THR 72 1HG2 THR 72 9.793 0.553 -0.792 519 HG23 THR 72 2HG2 THR 72 11.339 -0.236 -1.101 520 H VAL 73 H VAL 73 7.300 0.263 1.745 521 HA VAL 73 HA VAL 73 5.217 1.121 0.285 522 HB VAL 73 HB VAL 73 7.107 3.067 1.609 523 HG11 VAL 73 1HG1 VAL 73 4.761 4.092 2.147 524 HG12 VAL 73 2HG1 VAL 73 5.518 4.375 0.578 525 HG13 VAL 73 3HG1 VAL 73 4.254 3.156 0.742 526 HG21 VAL 73 3HG2 VAL 73 5.367 2.622 3.542 527 HG22 VAL 73 1HG2 VAL 73 5.232 1.055 2.744 528 HG23 VAL 73 2HG2 VAL 73 6.796 1.608 3.345 529 HA PRO 74 HA PRO 74 6.966 2.430 -3.592 530 HB2 PRO 74 1HB PRO 74 4.632 3.284 -4.685 531 HB3 PRO 74 2HB PRO 74 5.064 1.574 -4.556 532 HG2 PRO 74 1HG PRO 74 3.278 3.215 -2.801 533 HG3 PRO 74 2HG PRO 74 3.038 1.568 -3.414 534 HD2 PRO 74 1HD PRO 74 3.898 2.074 -0.897 535 HD3 PRO 74 2HD PRO 74 4.402 0.636 -1.807 536 H GLU 75 H GLU 75 7.156 4.411 -4.826 537 HA GLU 75 HA GLU 75 7.138 6.746 -3.099 538 HB2 GLU 75 1HB GLU 75 8.253 6.282 -5.867 539 HB3 GLU 75 2HB GLU 75 8.362 7.815 -5.013 540 HG2 GLU 75 1HG GLU 75 9.923 7.051 -3.543 541 HG3 GLU 75 2HG GLU 75 9.358 5.384 -3.637 542 H TYR 76 H TYR 76 5.692 8.339 -3.186 543 HA TYR 76 HA TYR 76 3.391 8.139 -4.831 544 HB2 TYR 76 1HB TYR 76 3.396 9.161 -2.567 545 HB3 TYR 76 2HB TYR 76 4.335 10.508 -3.201 546 HD1 TYR 76 1HD TYR 76 1.430 8.742 -4.725 547 HD2 TYR 76 2HD TYR 76 2.915 12.349 -3.024 548 HE1 TYR 76 1HE TYR 76 -0.652 9.889 -5.354 549 HE2 TYR 76 2HE TYR 76 0.836 13.505 -3.648 550 HH TYR 76 HH TYR 76 -1.936 12.016 -4.423 551 H SER 77 H SER 77 2.854 9.124 -6.700 552 HA SER 77 HA SER 77 4.628 9.865 -8.594 553 HB2 SER 77 1HB SER 77 2.284 9.585 -9.127 554 HB3 SER 77 2HB SER 77 1.856 11.006 -8.175 555 HG SER 77 HG SER 77 3.216 12.207 -9.676 556 H ASN 78 H ASN 78 2.842 12.275 -6.657 557 HA ASN 78 HA ASN 78 4.766 14.319 -7.388 558 HB2 ASN 78 1HB ASN 78 2.222 14.648 -7.194 559 HB3 ASN 78 2HB ASN 78 2.483 14.661 -5.453 560 HD21 ASN 78 1HD2 ASN 78 1.420 16.808 -6.867 561 HD22 ASN 78 2HD2 ASN 78 2.533 18.127 -6.788 562 H LYS 79 H LYS 79 6.671 13.986 -6.355 563 HA LYS 79 HA LYS 79 6.657 13.502 -3.469 564 HB2 LYS 79 1HB LYS 79 8.778 13.300 -5.595 565 HB3 LYS 79 2HB LYS 79 9.191 13.291 -3.885 566 HG2 LYS 79 1HG LYS 79 7.506 11.366 -3.693 567 HG3 LYS 79 2HG LYS 79 7.631 11.272 -5.451 568 HD2 LYS 79 1HD LYS 79 10.061 11.248 -3.684 569 HD3 LYS 79 2HD LYS 79 9.176 9.770 -4.070 570 HE2 LYS 79 1HE LYS 79 10.725 9.752 -5.750 571 HE3 LYS 79 2HE LYS 79 9.439 10.668 -6.535 572 HZ1 LYS 79 3HZ LYS 79 10.625 12.575 -6.461 573 HZ2 LYS 79 1HZ LYS 79 11.936 11.505 -6.457 574 HZ3 LYS 79 2HZ LYS 79 11.400 12.191 -5.007 575 H ARG 80 H ARG 80 6.826 16.064 -5.617 576 HA ARG 80 HA ARG 80 8.478 17.708 -3.841 577 HB2 ARG 80 1HB ARG 80 7.334 18.455 -6.535 578 HB3 ARG 80 2HB ARG 80 8.579 19.311 -5.634 579 HG2 ARG 80 1HG ARG 80 9.855 17.030 -5.842 580 HG3 ARG 80 2HG ARG 80 8.765 16.795 -7.210 581 HD2 ARG 80 1HD ARG 80 10.888 17.804 -7.902 582 HD3 ARG 80 2HD ARG 80 9.524 18.881 -8.198 583 HE ARG 80 HE ARG 80 10.620 19.471 -5.684 584 HH11 ARG 80 1HH1 ARG 80 11.404 19.705 -9.068 585 HH12 ARG 80 2HH1 ARG 80 12.425 21.091 -8.869 586 HH21 ARG 80 1HH2 ARG 80 11.961 21.296 -5.409 587 HH22 ARG 80 2HH2 ARG 80 12.741 21.995 -6.788 588 H VAL 81 H VAL 81 6.034 16.971 -2.781 589 HA VAL 81 HA VAL 81 4.284 19.297 -3.123 590 HB VAL 81 HB VAL 81 2.786 17.922 -1.526 591 HG11 VAL 81 1HG1 VAL 81 2.343 16.308 -3.627 592 HG12 VAL 81 2HG1 VAL 81 1.853 18.003 -3.584 593 HG13 VAL 81 3HG1 VAL 81 3.346 17.536 -4.399 594 HG21 VAL 81 3HG2 VAL 81 3.161 15.566 -1.437 595 HG22 VAL 81 1HG2 VAL 81 4.539 15.687 -2.532 596 HG23 VAL 81 2HG2 VAL 81 4.644 16.359 -0.905 597 H SER 82 H SER 82 3.693 20.626 -1.417 598 HA SER 82 HA SER 82 5.573 20.627 0.827 599 HB2 SER 82 1HB SER 82 3.714 22.753 -0.255 600 HB3 SER 82 2HB SER 82 4.679 22.953 1.208 601 HG SER 82 HG SER 82 6.453 22.225 -0.402 602 H ARG 83 H ARG 83 2.806 19.165 0.308 603 HA ARG 83 HA ARG 83 1.971 19.392 3.096 604 HB2 ARG 83 1HB ARG 83 0.100 19.730 0.746 605 HB3 ARG 83 2HB ARG 83 -0.427 19.478 2.405 606 HG2 ARG 83 1HG ARG 83 1.366 21.761 1.659 607 HG3 ARG 83 2HG ARG 83 -0.390 21.866 1.509 608 HD2 ARG 83 1HD ARG 83 1.096 21.176 4.042 609 HD3 ARG 83 2HD ARG 83 0.459 22.772 3.648 610 HE ARG 83 HE ARG 83 -1.574 20.798 3.501 611 HH11 ARG 83 1HH1 ARG 83 0.304 22.673 5.754 612 HH12 ARG 83 2HH1 ARG 83 -0.904 22.632 6.996 613 HH21 ARG 83 1HH2 ARG 83 -3.172 20.737 5.128 614 HH22 ARG 83 2HH2 ARG 83 -2.880 21.530 6.639 615 HA PRO 84 HA PRO 84 1.571 15.028 2.843 616 HB2 PRO 84 1HB PRO 84 -0.384 14.577 4.673 617 HB3 PRO 84 2HB PRO 84 1.261 15.047 5.120 618 HG2 PRO 84 1HG PRO 84 -1.200 16.738 4.903 619 HG3 PRO 84 2HG PRO 84 0.058 16.748 6.153 620 HD2 PRO 84 1HD PRO 84 -0.022 18.570 4.151 621 HD3 PRO 84 2HD PRO 84 1.501 18.006 4.868 622 H VAL 85 H VAL 85 0.366 13.408 1.891 623 HA VAL 85 HA VAL 85 -2.253 14.203 0.793 624 HB VAL 85 HB VAL 85 -0.288 12.362 -0.570 625 HG11 VAL 85 1HG1 VAL 85 -1.750 12.287 -2.350 626 HG12 VAL 85 2HG1 VAL 85 -2.866 12.329 -0.984 627 HG13 VAL 85 3HG1 VAL 85 -2.540 13.799 -1.903 628 HG21 VAL 85 3HG2 VAL 85 0.806 14.106 -1.411 629 HG22 VAL 85 1HG2 VAL 85 -0.702 14.857 -1.933 630 HG23 VAL 85 2HG2 VAL 85 -0.090 15.146 -0.304 631 H GLN 86 H GLN 86 -3.893 12.725 0.860 632 HA GLN 86 HA GLN 86 -3.374 10.315 2.451 633 HB2 GLN 86 1HB GLN 86 -5.046 11.726 3.428 634 HB3 GLN 86 2HB GLN 86 -5.905 11.864 1.899 635 HG2 GLN 86 1HG GLN 86 -7.212 10.338 2.968 636 HG3 GLN 86 2HG GLN 86 -6.095 9.261 2.131 637 HE21 GLN 86 1HE2 GLN 86 -5.279 7.704 3.320 638 HE22 GLN 86 2HE2 GLN 86 -5.064 7.731 5.034 639 H VAL 87 H VAL 87 -3.068 8.530 1.302 640 HA VAL 87 HA VAL 87 -4.632 8.160 -1.169 641 HB VAL 87 HB VAL 87 -2.888 6.731 -2.011 642 HG11 VAL 87 1HG1 VAL 87 -2.496 9.487 -1.364 643 HG12 VAL 87 2HG1 VAL 87 -0.943 8.650 -1.319 644 HG13 VAL 87 3HG1 VAL 87 -1.939 8.587 -2.774 645 HG21 VAL 87 3HG2 VAL 87 -1.328 7.250 0.514 646 HG22 VAL 87 1HG2 VAL 87 -2.279 5.791 0.235 647 HG23 VAL 87 2HG2 VAL 87 -0.909 6.164 -0.811 648 H TYR 88 H TYR 88 -4.671 5.649 -1.696 649 HA TYR 88 HA TYR 88 -5.236 4.096 0.716 650 HB2 TYR 88 1HB TYR 88 -7.223 4.769 -1.439 651 HB3 TYR 88 2HB TYR 88 -7.382 3.296 -0.488 652 HD1 TYR 88 2HD TYR 88 -7.353 6.985 -0.311 653 HD2 TYR 88 1HD TYR 88 -8.184 3.358 1.752 654 HE1 TYR 88 2HE TYR 88 -8.489 8.260 1.460 655 HE2 TYR 88 1HE TYR 88 -9.323 4.622 3.528 656 HH TYR 88 HH TYR 88 -9.984 6.618 4.234 657 H PHE 89 H PHE 89 -5.371 1.805 0.338 658 HA PHE 89 HA PHE 89 -4.630 0.796 -2.273 659 HB2 PHE 89 1HB PHE 89 -2.605 -0.346 -1.473 660 HB3 PHE 89 2HB PHE 89 -2.451 1.402 -1.335 661 HD1 PHE 89 1HD PHE 89 -3.339 2.318 1.038 662 HD2 PHE 89 2HD PHE 89 -1.815 -1.583 0.278 663 HE1 PHE 89 1HE PHE 89 -2.770 2.080 3.420 664 HE2 PHE 89 2HE PHE 89 -1.244 -1.827 2.658 665 HZ PHE 89 HZ PHE 89 -1.722 0.005 4.233 666 H TYR 90 H TYR 90 -4.386 -1.652 -2.185 667 HA TYR 90 HA TYR 90 -5.738 -2.956 0.019 668 HB2 TYR 90 1HB TYR 90 -7.562 -3.849 -1.268 669 HB3 TYR 90 2HB TYR 90 -7.575 -2.099 -1.451 670 HD1 TYR 90 2HD TYR 90 -6.937 -1.066 -3.580 671 HD2 TYR 90 1HD TYR 90 -7.085 -5.295 -3.138 672 HE1 TYR 90 2HE TYR 90 -6.906 -1.318 -6.027 673 HE2 TYR 90 1HE TYR 90 -7.053 -5.558 -5.583 674 HH TYR 90 HH TYR 90 -6.050 -3.642 -7.625 675 H VAL 91 H VAL 91 -5.912 -5.356 -0.389 676 HA VAL 91 HA VAL 91 -3.476 -6.242 -1.763 677 HB VAL 91 HB VAL 91 -5.156 -7.747 0.247 678 HG11 VAL 91 1HG1 VAL 91 -2.796 -8.949 0.370 679 HG12 VAL 91 2HG1 VAL 91 -4.028 -9.431 -0.799 680 HG13 VAL 91 3HG1 VAL 91 -2.700 -8.381 -1.297 681 HG21 VAL 91 3HG2 VAL 91 -3.223 -5.646 0.600 682 HG22 VAL 91 1HG2 VAL 91 -4.208 -6.475 1.805 683 HG23 VAL 91 2HG2 VAL 91 -2.646 -7.144 1.331 684 H SER 92 H SER 92 -3.773 -6.973 -3.758 685 HA SER 92 HA SER 92 -6.328 -8.001 -4.624 686 HB2 SER 92 1HB SER 92 -4.982 -6.574 -6.116 687 HB3 SER 92 2HB SER 92 -3.701 -7.786 -6.118 688 HG SER 92 HG SER 92 -6.086 -7.736 -7.487 689 H ASN 93 H ASN 93 -6.904 -10.028 -4.243 690 HA ASN 93 HA ASN 93 -4.897 -12.148 -4.571 691 HB2 ASN 93 1HB ASN 93 -6.695 -11.644 -2.236 692 HB3 ASN 93 2HB ASN 93 -6.322 -13.309 -2.672 693 HD21 ASN 93 1HD2 ASN 93 -5.406 -13.155 -0.441 694 HD22 ASN 93 2HD2 ASN 93 -3.756 -12.666 -0.298 695 H GLY 94 H GLY 94 -5.577 -13.059 -6.425 696 HA2 GLY 94 1HA GLY 94 -6.896 -14.616 -7.573 697 HA3 GLY 94 2HA GLY 94 -8.184 -14.351 -6.407 698 H ARG 95 H ARG 95 -9.930 -13.658 -7.442 699 HA ARG 95 HA ARG 95 -9.602 -11.492 -9.410 700 HB2 ARG 95 1HB ARG 95 -11.498 -12.444 -10.677 701 HB3 ARG 95 2HB ARG 95 -10.118 -13.532 -10.616 702 HG2 ARG 95 1HG ARG 95 -11.208 -14.823 -8.853 703 HG3 ARG 95 2HG ARG 95 -12.591 -13.729 -8.910 704 HD2 ARG 95 1HD ARG 95 -13.132 -15.681 -10.182 705 HD3 ARG 95 2HD ARG 95 -12.893 -14.342 -11.304 706 HE ARG 95 HE ARG 95 -11.251 -16.710 -11.036 707 HH11 ARG 95 1HH1 ARG 95 -11.520 -13.471 -12.283 708 HH12 ARG 95 2HH1 ARG 95 -10.297 -13.694 -13.490 709 HH21 ARG 95 1HH2 ARG 95 -9.640 -17.017 -12.621 710 HH22 ARG 95 2HH2 ARG 95 -9.229 -15.712 -13.682 711 H ARG 96 H ARG 96 -11.822 -13.099 -7.156 712 HA ARG 96 HA ARG 96 -13.352 -10.599 -6.947 713 HB2 ARG 96 1HB ARG 96 -14.711 -12.524 -7.502 714 HB3 ARG 96 2HB ARG 96 -14.053 -13.426 -6.144 715 HG2 ARG 96 1HG ARG 96 -16.112 -12.754 -5.355 716 HG3 ARG 96 2HG ARG 96 -15.035 -11.516 -4.706 717 HD2 ARG 96 1HD ARG 96 -16.860 -10.327 -5.572 718 HD3 ARG 96 2HD ARG 96 -15.598 -10.168 -6.794 719 HE ARG 96 HE ARG 96 -17.062 -12.365 -7.544 720 HH11 ARG 96 1HH1 ARG 96 -17.721 -8.999 -6.947 721 HH12 ARG 96 2HH1 ARG 96 -19.026 -8.918 -8.084 722 HH21 ARG 96 1HH2 ARG 96 -18.779 -12.271 -9.044 723 HH22 ARG 96 2HH2 ARG 96 -19.627 -10.780 -9.275 724 H LYS 97 H LYS 97 -11.681 -13.055 -5.036 725 HA LYS 97 HA LYS 97 -12.231 -12.020 -2.490 726 HB2 LYS 97 1HB LYS 97 -9.756 -13.503 -3.397 727 HB3 LYS 97 2HB LYS 97 -10.298 -13.317 -1.734 728 HG2 LYS 97 1HG LYS 97 -11.967 -14.853 -1.956 729 HG3 LYS 97 2HG LYS 97 -12.169 -14.549 -3.683 730 HD2 LYS 97 1HD LYS 97 -10.341 -15.881 -4.253 731 HD3 LYS 97 2HD LYS 97 -9.664 -15.813 -2.623 732 HE2 LYS 97 1HE LYS 97 -11.877 -17.033 -1.968 733 HE3 LYS 97 2HE LYS 97 -11.926 -17.458 -3.678 734 HZ1 LYS 97 3HZ LYS 97 -10.127 -18.805 -3.491 735 HZ2 LYS 97 1HZ LYS 97 -10.704 -18.953 -1.907 736 HZ3 LYS 97 2HZ LYS 97 -9.419 -17.906 -2.244 737 H ARG 98 H ARG 98 -12.037 -9.772 -2.526 738 HA ARG 98 HA ARG 98 -9.287 -8.747 -2.785 739 HB2 ARG 98 1HB ARG 98 -11.936 -7.613 -3.523 740 HB3 ARG 98 2HB ARG 98 -10.717 -6.495 -2.926 741 HG2 ARG 98 1HG ARG 98 -9.202 -7.126 -4.680 742 HG3 ARG 98 2HG ARG 98 -10.306 -8.389 -5.228 743 HD2 ARG 98 1HD ARG 98 -12.002 -6.475 -5.525 744 HD3 ARG 98 2HD ARG 98 -10.599 -5.412 -5.425 745 HE ARG 98 HE ARG 98 -9.991 -7.337 -7.314 746 HH11 ARG 98 1HH1 ARG 98 -12.374 -4.836 -6.877 747 HH12 ARG 98 2HH1 ARG 98 -12.577 -4.553 -8.575 748 HH21 ARG 98 1HH2 ARG 98 -10.250 -6.974 -9.550 749 HH22 ARG 98 2HH2 ARG 98 -11.369 -5.770 -10.094 750 H SER 99 H SER 99 -8.803 -6.849 -1.380 751 HA SER 99 HA SER 99 -9.980 -7.267 1.285 752 HB2 SER 99 1HB SER 99 -7.223 -6.642 0.344 753 HB3 SER 99 2HB SER 99 -7.732 -5.960 1.888 754 HG SER 99 HG SER 99 -8.372 -8.183 2.424 755 HA PRO 100 HA PRO 100 -11.495 -3.157 1.506 756 HB2 PRO 100 1HB PRO 100 -10.950 -2.468 4.074 757 HB3 PRO 100 2HB PRO 100 -12.205 -3.634 3.638 758 HG2 PRO 100 1HG PRO 100 -9.413 -4.127 4.599 759 HG3 PRO 100 2HG PRO 100 -10.918 -4.940 5.067 760 HD2 PRO 100 1HD PRO 100 -9.170 -6.015 3.301 761 HD3 PRO 100 2HD PRO 100 -10.921 -6.286 3.196 762 H THR 101 H THR 101 -10.852 -1.105 1.093 763 HA THR 101 HA THR 101 -8.118 -0.559 0.631 764 HB THR 101 HB THR 101 -8.957 1.853 0.371 765 HG1 THR 101 1HG THR 101 -11.063 2.219 0.622 766 HG21 THR 101 3HG2 THR 101 -9.032 1.242 -1.769 767 HG22 THR 101 1HG2 THR 101 -10.640 0.561 -1.527 768 HG23 THR 101 2HG2 THR 101 -9.211 -0.443 -1.281 769 H GLN 102 H GLN 102 -6.588 0.068 1.997 770 HA GLN 102 HA GLN 102 -7.337 0.929 4.680 771 HB2 GLN 102 1HB GLN 102 -4.648 0.208 3.501 772 HB3 GLN 102 2HB GLN 102 -4.923 0.643 5.183 773 HG2 GLN 102 1HG GLN 102 -5.801 -1.809 3.710 774 HG3 GLN 102 2HG GLN 102 -4.842 -1.682 5.184 775 HE21 GLN 102 1HE2 GLN 102 -7.445 -3.037 4.426 776 HE22 GLN 102 2HE2 GLN 102 -8.538 -2.573 5.680 777 H SER 103 H SER 103 -6.779 2.880 5.583 778 HA SER 103 HA SER 103 -6.283 5.027 3.702 779 HB2 SER 103 1HB SER 103 -6.845 6.517 5.516 780 HB3 SER 103 2HB SER 103 -8.010 5.194 5.513 781 HG SER 103 HG SER 103 -6.971 4.289 7.252 782 H PHE 104 H PHE 104 -4.373 5.932 3.330 783 HA PHE 104 HA PHE 104 -2.286 5.784 5.383 784 HB2 PHE 104 1HB PHE 104 -2.120 3.971 3.513 785 HB3 PHE 104 2HB PHE 104 -1.566 5.307 2.509 786 HD1 PHE 104 1HD PHE 104 0.452 6.628 3.285 787 HD2 PHE 104 2HD PHE 104 -0.662 2.882 4.970 788 HE1 PHE 104 1HE PHE 104 2.729 6.356 4.177 789 HE2 PHE 104 2HE PHE 104 1.613 2.603 5.865 790 HZ PHE 104 HZ PHE 104 3.312 4.342 5.469 791 H ARG 105 H ARG 105 -1.015 7.567 5.532 792 HA ARG 105 HA ARG 105 -1.518 9.716 3.579 793 HB2 ARG 105 1HB ARG 105 -1.421 9.708 6.541 794 HB3 ARG 105 2HB ARG 105 -0.675 11.085 5.740 795 HG2 ARG 105 1HG ARG 105 -2.906 11.205 4.424 796 HG3 ARG 105 2HG ARG 105 -3.533 10.223 5.751 797 HD2 ARG 105 1HD ARG 105 -2.544 11.975 7.306 798 HD3 ARG 105 2HD ARG 105 -2.333 12.978 5.871 799 HE ARG 105 HE ARG 105 -4.981 12.113 5.920 800 HH11 ARG 105 1HH1 ARG 105 -2.844 14.122 7.795 801 HH12 ARG 105 2HH1 ARG 105 -4.109 15.156 8.371 802 HH21 ARG 105 1HH2 ARG 105 -6.656 13.467 6.671 803 HH22 ARG 105 2HH2 ARG 105 -6.277 14.782 7.732 804 H PHE 106 H PHE 106 0.194 10.781 2.713 805 HA PHE 106 HA PHE 106 2.861 9.776 3.445 806 HB2 PHE 106 1HB PHE 106 1.928 11.022 0.850 807 HB3 PHE 106 2HB PHE 106 3.555 10.434 1.174 808 HD1 PHE 106 1HD PHE 106 2.783 7.932 2.683 809 HD2 PHE 106 2HD PHE 106 1.345 9.624 -0.949 810 HE1 PHE 106 1HE PHE 106 2.130 5.692 1.902 811 HE2 PHE 106 2HE PHE 106 0.689 7.387 -1.735 812 HZ PHE 106 HZ PHE 106 1.080 5.418 -0.309 813 H LEU 107 H LEU 107 4.145 11.122 4.503 814 HA LEU 107 HA LEU 107 3.512 13.968 4.563 815 HB2 LEU 107 1HB LEU 107 5.737 12.702 6.105 816 HB3 LEU 107 2HB LEU 107 4.757 14.108 6.514 817 HG LEU 107 HG LEU 107 3.701 11.285 6.511 818 HD11 LEU 107 1HD1 LEU 107 5.307 12.736 8.492 819 HD12 LEU 107 2HD1 LEU 107 5.024 11.006 8.301 820 HD13 LEU 107 3HD1 LEU 107 3.828 12.010 9.120 821 HD21 LEU 107 3HD2 LEU 107 1.726 12.211 6.916 822 HD22 LEU 107 1HD2 LEU 107 2.444 13.796 6.627 823 HD23 LEU 107 2HD2 LEU 107 2.393 13.137 8.262 824 HA PRO 108 HA PRO 108 6.702 15.074 1.732 825 HB2 PRO 108 1HB PRO 108 7.024 17.666 2.469 826 HB3 PRO 108 2HB PRO 108 5.626 17.096 1.550 827 HG2 PRO 108 1HG PRO 108 5.872 17.638 4.484 828 HG3 PRO 108 2HG PRO 108 4.549 18.050 3.377 829 HD2 PRO 108 1HD PRO 108 4.444 15.920 5.046 830 HD3 PRO 108 2HD PRO 108 3.656 15.926 3.455 831 H VAL 109 H VAL 109 8.858 14.870 1.730 832 HA VAL 109 HA VAL 109 10.265 14.747 4.257 833 HB VAL 109 HB VAL 109 11.387 14.351 1.482 834 HG11 VAL 109 1HG1 VAL 109 12.418 13.150 4.027 835 HG12 VAL 109 2HG1 VAL 109 13.251 13.380 2.488 836 HG13 VAL 109 3HG1 VAL 109 12.905 14.767 3.522 837 HG21 VAL 109 3HG2 VAL 109 9.478 12.841 1.957 838 HG22 VAL 109 1HG2 VAL 109 11.011 11.988 1.768 839 HG23 VAL 109 2HG2 VAL 109 10.340 12.251 3.378 840 H ILE 110 H ILE 110 10.001 16.891 1.526 841 HA ILE 110 HA ILE 110 12.210 18.389 1.435 842 HB ILE 110 HB ILE 110 9.429 19.540 1.690 843 HG12 ILE 110 1HG1 ILE 110 10.856 19.179 -0.907 844 HG13 ILE 110 2HG1 ILE 110 10.133 17.764 -0.151 845 HG21 ILE 110 1HG2 ILE 110 10.925 21.151 0.006 846 HG22 ILE 110 2HG2 ILE 110 10.450 21.518 1.663 847 HG23 ILE 110 3HG2 ILE 110 12.020 20.783 1.339 848 HD11 ILE 110 3HD1 ILE 110 8.315 18.369 -1.293 849 HD12 ILE 110 1HD1 ILE 110 8.096 19.545 0.003 850 HD13 ILE 110 2HD1 ILE 110 8.875 20.028 -1.504 851 H CYS 111 H CYS 111 13.499 19.414 2.809 852 HA CYS 111 HA CYS 111 12.363 20.469 5.307 853 HB2 CYS 111 1HB CYS 111 14.386 19.726 6.514 854 HB3 CYS 111 2HB CYS 111 13.475 18.373 5.854 855 HG CYS 111 HG CYS 111 16.375 19.664 4.577 856 H LYS 112 H LYS 112 12.393 22.446 3.970 857 HA LYS 112 HA LYS 112 14.964 23.574 3.296 858 HB2 LYS 112 1HB LYS 112 13.097 24.078 1.853 859 HB3 LYS 112 2HB LYS 112 12.163 24.703 3.206 860 HG2 LYS 112 1HG LYS 112 12.920 26.599 2.078 861 HG3 LYS 112 2HG LYS 112 14.004 26.443 3.462 862 HD2 LYS 112 1HD LYS 112 14.789 25.117 0.920 863 HD3 LYS 112 2HD LYS 112 14.914 26.876 1.009 864 HE2 LYS 112 1HE LYS 112 16.570 26.814 2.580 865 HE3 LYS 112 2HE LYS 112 16.012 25.290 3.267 866 HZ1 LYS 112 3HZ LYS 112 17.834 24.534 2.196 867 HZ2 LYS 112 1HZ LYS 112 17.827 25.770 1.040 868 HZ3 LYS 112 2HZ LYS 112 16.773 24.457 0.881 869 H GLU 113 H GLU 113 15.982 23.616 5.352 870 HA GLU 113 HA GLU 113 15.015 25.793 7.085 871 HB2 GLU 113 1HB GLU 113 14.670 23.717 8.260 872 HB3 GLU 113 2HB GLU 113 16.306 23.186 7.896 873 HG2 GLU 113 1HG GLU 113 17.248 24.803 9.354 874 HG3 GLU 113 2HG GLU 113 15.697 25.616 9.554 875 H GLU 114 H GLU 114 16.414 27.396 7.432 876 HA GLU 114 HA GLU 114 19.070 27.202 6.279 877 HB2 GLU 114 1HB GLU 114 17.489 29.482 7.459 878 HB3 GLU 114 2HB GLU 114 19.169 29.653 6.971 879 HG2 GLU 114 1HG GLU 114 17.944 30.439 5.154 880 HG3 GLU 114 2HG GLU 114 18.425 28.808 4.690 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -9.296 -21.468 5.390 2 HA2 GLY 1 1HA GLY 1 -9.706 -22.402 7.608 3 HA3 GLY 1 2HA GLY 1 -10.676 -20.949 7.416 4 H SER 2 H SER 2 -11.405 -22.855 9.242 5 HA SER 2 HA SER 2 -13.710 -24.175 7.965 6 HB2 SER 2 1HB SER 2 -12.153 -24.935 10.444 7 HB3 SER 2 2HB SER 2 -13.677 -25.690 9.980 8 HG SER 2 HG SER 2 -11.718 -25.567 8.020 9 H SER 3 H SER 3 -12.761 -21.700 10.036 10 HA SER 3 HA SER 3 -15.264 -21.701 11.546 11 HB2 SER 3 1HB SER 3 -12.889 -19.835 11.761 12 HB3 SER 3 2HB SER 3 -14.261 -19.908 12.867 13 HG SER 3 HG SER 3 -12.601 -22.141 12.356 14 H GLY 4 H GLY 4 -16.607 -21.238 9.705 15 HA2 GLY 4 1HA GLY 4 -17.549 -19.870 8.073 16 HA3 GLY 4 2HA GLY 4 -17.641 -18.788 9.455 17 H SER 5 H SER 5 -15.708 -19.695 6.654 18 HA SER 5 HA SER 5 -15.044 -17.015 6.053 19 HB2 SER 5 1HB SER 5 -12.732 -16.909 6.594 20 HB3 SER 5 2HB SER 5 -13.533 -17.496 8.052 21 HG SER 5 HG SER 5 -12.996 -19.664 6.877 22 H SER 6 H SER 6 -13.727 -16.825 4.130 23 HA SER 6 HA SER 6 -13.594 -19.337 2.594 24 HB2 SER 6 1HB SER 6 -14.458 -16.578 1.737 25 HB3 SER 6 2HB SER 6 -13.958 -17.802 0.570 26 HG SER 6 HG SER 6 -16.198 -17.872 0.872 27 H GLY 7 H GLY 7 -11.426 -18.568 4.090 28 HA2 GLY 7 1HA GLY 7 -9.201 -17.975 3.984 29 HA3 GLY 7 2HA GLY 7 -9.297 -18.712 2.391 30 H LEU 8 H LEU 8 -10.821 -15.735 3.566 31 HA LEU 8 HA LEU 8 -9.727 -14.312 1.279 32 HB2 LEU 8 1HB LEU 8 -11.718 -13.549 3.404 33 HB3 LEU 8 2HB LEU 8 -11.164 -12.440 2.151 34 HG LEU 8 HG LEU 8 -12.378 -15.050 1.356 35 HD11 LEU 8 1HD1 LEU 8 -14.534 -14.427 1.736 36 HD12 LEU 8 2HD1 LEU 8 -14.164 -12.703 1.693 37 HD13 LEU 8 3HD1 LEU 8 -13.766 -13.655 3.124 38 HD21 LEU 8 3HD2 LEU 8 -11.686 -13.981 -0.534 39 HD22 LEU 8 1HD2 LEU 8 -11.876 -12.375 0.169 40 HD23 LEU 8 2HD2 LEU 8 -13.293 -13.270 -0.380 41 HA PRO 9 HA PRO 9 -6.492 -12.237 3.400 42 HB2 PRO 9 1HB PRO 9 -6.480 -9.842 2.122 43 HB3 PRO 9 2HB PRO 9 -5.904 -11.334 1.371 44 HG2 PRO 9 1HG PRO 9 -8.545 -9.960 1.068 45 HG3 PRO 9 2HG PRO 9 -7.521 -10.701 -0.175 46 HD2 PRO 9 1HD PRO 9 -9.693 -11.946 0.857 47 HD3 PRO 9 2HD PRO 9 -8.253 -12.831 0.315 48 H GLN 10 H GLN 10 -6.344 -11.215 5.299 49 HA GLN 10 HA GLN 10 -8.385 -9.201 5.972 50 HB2 GLN 10 1HB GLN 10 -8.888 -11.210 7.211 51 HB3 GLN 10 2HB GLN 10 -7.220 -11.348 7.749 52 HG2 GLN 10 1HG GLN 10 -7.560 -9.109 8.892 53 HG3 GLN 10 2HG GLN 10 -9.280 -9.332 8.577 54 HE21 GLN 10 1HE2 GLN 10 -10.404 -10.316 10.092 55 HE22 GLN 10 2HE2 GLN 10 -9.767 -11.341 11.329 56 H VAL 11 H VAL 11 -7.727 -7.458 7.252 57 HA VAL 11 HA VAL 11 -4.825 -7.204 7.684 58 HB VAL 11 HB VAL 11 -6.654 -5.071 6.573 59 HG11 VAL 11 1HG1 VAL 11 -3.922 -4.335 6.441 60 HG12 VAL 11 2HG1 VAL 11 -5.224 -3.559 7.344 61 HG13 VAL 11 3HG1 VAL 11 -4.264 -4.833 8.097 62 HG21 VAL 11 3HG2 VAL 11 -5.887 -6.866 4.995 63 HG22 VAL 11 1HG2 VAL 11 -5.390 -5.231 4.559 64 HG23 VAL 11 2HG2 VAL 11 -4.233 -6.336 5.300 65 H GLU 12 H GLU 12 -5.002 -7.586 9.886 66 HA GLU 12 HA GLU 12 -6.894 -6.292 11.561 67 HB2 GLU 12 1HB GLU 12 -5.376 -8.427 11.937 68 HB3 GLU 12 2HB GLU 12 -4.276 -7.246 12.635 69 HG2 GLU 12 1HG GLU 12 -5.791 -6.667 14.326 70 HG3 GLU 12 2HG GLU 12 -7.140 -7.442 13.497 71 H ALA 13 H ALA 13 -3.394 -5.770 11.120 72 HA ALA 13 HA ALA 13 -3.794 -2.926 11.657 73 HB1 ALA 13 3HB ALA 13 -1.583 -3.174 13.090 74 HB2 ALA 13 1HB ALA 13 -3.182 -3.375 13.806 75 HB3 ALA 13 2HB ALA 13 -2.231 -4.792 13.359 76 H TYR 14 H TYR 14 -1.672 -1.709 11.290 77 HA TYR 14 HA TYR 14 0.232 -2.962 9.528 78 HB2 TYR 14 1HB TYR 14 -0.201 -1.476 7.614 79 HB3 TYR 14 2HB TYR 14 -1.583 -2.513 7.952 80 HD1 TYR 14 1HD TYR 14 -0.277 0.911 8.648 81 HD2 TYR 14 2HD TYR 14 -3.697 -1.572 8.157 82 HE1 TYR 14 1HE TYR 14 -1.726 2.894 8.769 83 HE2 TYR 14 2HE TYR 14 -5.156 0.404 8.276 84 HH TYR 14 HH TYR 14 -3.941 3.534 9.169 85 H SER 15 H SER 15 2.150 -1.898 9.504 86 HA SER 15 HA SER 15 2.292 0.871 10.390 87 HB2 SER 15 1HB SER 15 4.089 0.261 12.066 88 HB3 SER 15 2HB SER 15 2.454 -0.226 12.511 89 HG SER 15 HG SER 15 4.538 -1.843 11.483 90 HA PRO 16 HA PRO 16 4.051 2.187 11.093 91 HB2 PRO 16 1HB PRO 16 4.769 4.373 9.652 92 HB3 PRO 16 2HB PRO 16 5.933 3.385 10.542 93 HG2 PRO 16 1HG PRO 16 5.259 3.352 7.625 94 HG3 PRO 16 2HG PRO 16 6.848 3.266 8.408 95 HD2 PRO 16 1HD PRO 16 5.573 1.076 7.453 96 HD3 PRO 16 2HD PRO 16 6.636 1.019 8.874 97 H SER 17 H SER 17 2.267 3.484 11.349 98 HA SER 17 HA SER 17 0.072 3.112 9.656 99 HB2 SER 17 1HB SER 17 0.599 5.160 11.815 100 HB3 SER 17 2HB SER 17 -0.951 5.015 10.987 101 HG SER 17 HG SER 17 -1.285 3.644 12.574 102 H ALA 18 H ALA 18 2.613 5.467 9.610 103 HA ALA 18 HA ALA 18 1.554 6.547 7.119 104 HB1 ALA 18 3HB ALA 18 0.670 8.275 8.287 105 HB2 ALA 18 1HB ALA 18 1.784 8.077 9.640 106 HB3 ALA 18 2HB ALA 18 2.321 8.881 8.165 107 H CYS 19 H CYS 19 3.135 7.597 5.822 108 HA CYS 19 HA CYS 19 5.900 7.529 6.736 109 HB2 CYS 19 1HB CYS 19 5.159 5.292 5.598 110 HB3 CYS 19 2HB CYS 19 5.285 6.220 4.109 111 HG CYS 19 HG CYS 19 8.006 6.720 5.858 112 H SER 20 H SER 20 7.362 8.316 4.836 113 HA SER 20 HA SER 20 6.293 10.861 4.017 114 HB2 SER 20 1HB SER 20 8.993 9.563 3.600 115 HB3 SER 20 2HB SER 20 8.593 11.190 3.050 116 HG SER 20 HG SER 20 9.442 10.473 5.429 117 H VAL 21 H VAL 21 6.460 11.658 1.795 118 HA VAL 21 HA VAL 21 5.111 10.002 -0.028 119 HB VAL 21 HB VAL 21 5.704 11.771 -1.725 120 HG11 VAL 21 1HG1 VAL 21 4.495 12.681 0.884 121 HG12 VAL 21 2HG1 VAL 21 4.313 13.499 -0.668 122 HG13 VAL 21 3HG1 VAL 21 3.647 11.882 -0.439 123 HG21 VAL 21 3HG2 VAL 21 6.552 13.865 -0.154 124 HG22 VAL 21 1HG2 VAL 21 7.525 12.512 0.424 125 HG23 VAL 21 2HG2 VAL 21 7.552 12.951 -1.284 126 H ARG 22 H ARG 22 8.383 10.108 0.810 127 HA ARG 22 HA ARG 22 9.261 9.007 -1.759 128 HB2 ARG 22 1HB ARG 22 11.530 9.311 -0.922 129 HB3 ARG 22 2HB ARG 22 10.617 10.807 -0.773 130 HG2 ARG 22 1HG ARG 22 10.179 10.107 1.636 131 HG3 ARG 22 2HG ARG 22 11.444 8.902 1.389 132 HD2 ARG 22 1HD ARG 22 11.942 11.770 0.704 133 HD3 ARG 22 2HD ARG 22 12.048 11.231 2.380 134 HE ARG 22 HE ARG 22 13.944 10.755 0.307 135 HH11 ARG 22 1HH1 ARG 22 12.558 9.391 3.194 136 HH12 ARG 22 2HH1 ARG 22 13.952 8.430 3.566 137 HH21 ARG 22 1HH2 ARG 22 15.785 9.496 0.786 138 HH22 ARG 22 2HH2 ARG 22 15.787 8.491 2.196 139 H GLY 23 H GLY 23 7.612 7.259 -0.618 140 HA2 GLY 23 1HA GLY 23 8.208 5.486 1.282 141 HA3 GLY 23 2HA GLY 23 7.648 4.952 -0.296 142 H GLY 24 H GLY 24 9.926 4.389 1.941 143 HA2 GLY 24 1HA GLY 24 11.611 2.996 0.056 144 HA3 GLY 24 2HA GLY 24 12.409 4.343 0.854 145 H GLU 25 H GLU 25 9.993 2.747 2.680 146 HA GLU 25 HA GLU 25 12.060 1.223 4.124 147 HB2 GLU 25 1HB GLU 25 9.884 2.998 5.190 148 HB3 GLU 25 2HB GLU 25 10.536 1.691 6.169 149 HG2 GLU 25 1HG GLU 25 12.405 3.634 4.906 150 HG3 GLU 25 2HG GLU 25 11.506 4.105 6.347 151 H GLU 26 H GLU 26 11.088 -0.510 5.542 152 HA GLU 26 HA GLU 26 9.337 -2.120 3.928 153 HB2 GLU 26 1HB GLU 26 9.975 -3.892 5.244 154 HB3 GLU 26 2HB GLU 26 11.349 -2.821 5.479 155 HG2 GLU 26 1HG GLU 26 9.919 -1.968 7.511 156 HG3 GLU 26 2HG GLU 26 9.171 -3.557 7.361 157 H LEU 27 H LEU 27 7.258 -2.764 4.367 158 HA LEU 27 HA LEU 27 5.919 -1.434 6.628 159 HB2 LEU 27 1HB LEU 27 5.159 -0.229 4.789 160 HB3 LEU 27 2HB LEU 27 5.099 -1.657 3.758 161 HG LEU 27 HG LEU 27 3.176 -2.415 5.310 162 HD11 LEU 27 1HD1 LEU 27 2.133 -0.903 6.661 163 HD12 LEU 27 2HD1 LEU 27 2.701 0.487 5.737 164 HD13 LEU 27 3HD1 LEU 27 3.800 -0.351 6.833 165 HD21 LEU 27 3HD2 LEU 27 3.210 -1.339 2.882 166 HD22 LEU 27 1HD2 LEU 27 2.360 -0.045 3.726 167 HD23 LEU 27 2HD2 LEU 27 1.705 -1.682 3.738 168 H VAL 28 H VAL 28 5.516 -3.030 8.028 169 HA VAL 28 HA VAL 28 4.799 -5.686 7.102 170 HB VAL 28 HB VAL 28 5.094 -4.609 9.910 171 HG11 VAL 28 1HG1 VAL 28 5.411 -7.376 9.916 172 HG12 VAL 28 2HG1 VAL 28 4.041 -6.463 10.550 173 HG13 VAL 28 3HG1 VAL 28 4.001 -7.083 8.899 174 HG21 VAL 28 3HG2 VAL 28 7.022 -6.588 9.056 175 HG22 VAL 28 1HG2 VAL 28 7.051 -5.163 8.017 176 HG23 VAL 28 2HG2 VAL 28 7.284 -4.991 9.757 177 H LEU 29 H LEU 29 2.767 -6.133 6.590 178 HA LEU 29 HA LEU 29 0.594 -4.629 7.848 179 HB2 LEU 29 1HB LEU 29 0.512 -6.532 5.512 180 HB3 LEU 29 2HB LEU 29 -0.813 -5.517 6.077 181 HG LEU 29 HG LEU 29 1.720 -4.203 5.221 182 HD11 LEU 29 1HD1 LEU 29 -0.373 -4.937 3.206 183 HD12 LEU 29 2HD1 LEU 29 1.009 -5.987 3.515 184 HD13 LEU 29 3HD1 LEU 29 1.265 -4.339 2.942 185 HD21 LEU 29 3HD2 LEU 29 0.332 -2.535 5.813 186 HD22 LEU 29 1HD2 LEU 29 -1.113 -3.528 5.624 187 HD23 LEU 29 2HD2 LEU 29 -0.357 -2.793 4.210 188 H THR 30 H THR 30 -0.257 -5.487 9.617 189 HA THR 30 HA THR 30 -0.018 -8.290 10.221 190 HB THR 30 HB THR 30 -1.649 -6.243 11.728 191 HG1 THR 30 1HG THR 30 0.226 -5.808 12.886 192 HG21 THR 30 3HG2 THR 30 -2.190 -8.116 12.855 193 HG22 THR 30 1HG2 THR 30 -0.576 -7.963 13.547 194 HG23 THR 30 2HG2 THR 30 -0.848 -9.034 12.172 195 H GLY 31 H GLY 31 -1.533 -9.854 10.057 196 HA2 GLY 31 1HA GLY 31 -4.297 -9.530 10.013 197 HA3 GLY 31 2HA GLY 31 -3.755 -9.467 8.343 198 H SER 32 H SER 32 -4.604 -11.366 7.626 199 HA SER 32 HA SER 32 -3.180 -13.758 8.260 200 HB2 SER 32 1HB SER 32 -6.033 -13.467 9.207 201 HB3 SER 32 2HB SER 32 -5.270 -15.036 8.947 202 HG SER 32 HG SER 32 -4.524 -14.788 10.889 203 H ASN 33 H ASN 33 -4.093 -15.657 7.022 204 HA ASN 33 HA ASN 33 -4.735 -16.596 5.053 205 HB2 ASN 33 1HB ASN 33 -6.641 -14.246 4.962 206 HB3 ASN 33 2HB ASN 33 -6.724 -15.658 3.912 207 HD21 ASN 33 1HD2 ASN 33 -8.873 -15.905 4.761 208 HD22 ASN 33 2HD2 ASN 33 -9.109 -16.693 6.281 209 H PHE 34 H PHE 34 -2.456 -15.020 5.003 210 HA PHE 34 HA PHE 34 -2.613 -13.438 2.550 211 HB2 PHE 34 1HB PHE 34 -0.427 -13.788 4.606 212 HB3 PHE 34 2HB PHE 34 -0.220 -12.865 3.121 213 HD1 PHE 34 1HD PHE 34 -2.633 -11.360 2.835 214 HD2 PHE 34 2HD PHE 34 -0.501 -12.342 6.385 215 HE1 PHE 34 1HE PHE 34 -3.566 -9.370 3.941 216 HE2 PHE 34 2HE PHE 34 -1.431 -10.354 7.498 217 HZ PHE 34 HZ PHE 34 -2.966 -8.866 6.276 218 H LEU 35 H LEU 35 -1.498 -13.927 0.691 219 HA LEU 35 HA LEU 35 -0.368 -16.643 0.567 220 HB2 LEU 35 1HB LEU 35 -1.765 -14.986 -1.521 221 HB3 LEU 35 2HB LEU 35 -0.896 -16.474 -1.890 222 HG LEU 35 HG LEU 35 -3.071 -16.540 0.151 223 HD11 LEU 35 1HD1 LEU 35 -4.572 -17.158 -1.864 224 HD12 LEU 35 2HD1 LEU 35 -3.422 -16.205 -2.801 225 HD13 LEU 35 3HD1 LEU 35 -4.312 -15.457 -1.475 226 HD21 LEU 35 3HD2 LEU 35 -3.032 -18.680 -1.739 227 HD22 LEU 35 1HD2 LEU 35 -2.700 -18.721 -0.007 228 HD23 LEU 35 2HD2 LEU 35 -1.393 -18.400 -1.147 229 HA PRO 36 HA PRO 36 3.551 -15.003 -0.553 230 HB2 PRO 36 1HB PRO 36 4.504 -17.027 -2.091 231 HB3 PRO 36 2HB PRO 36 4.359 -17.142 -0.333 232 HG2 PRO 36 1HG PRO 36 2.529 -18.193 -2.457 233 HG3 PRO 36 2HG PRO 36 3.081 -18.979 -0.966 234 HD2 PRO 36 1HD PRO 36 0.643 -17.821 -1.187 235 HD3 PRO 36 2HD PRO 36 1.547 -17.859 0.340 236 H ASP 37 H ASP 37 1.044 -15.336 -2.724 237 HA ASP 37 HA ASP 37 2.636 -14.241 -4.947 238 HB2 ASP 37 1HB ASP 37 1.235 -15.261 -6.466 239 HB3 ASP 37 2HB ASP 37 1.166 -16.424 -5.145 240 H SER 38 H SER 38 0.268 -13.533 -2.617 241 HA SER 38 HA SER 38 -1.351 -11.658 -3.865 242 HB2 SER 38 1HB SER 38 -0.320 -11.593 -1.018 243 HB3 SER 38 2HB SER 38 -1.721 -10.712 -1.625 244 HG SER 38 HG SER 38 -2.640 -12.778 -2.145 245 H LYS 39 H LYS 39 -1.238 -9.453 -4.196 246 HA LYS 39 HA LYS 39 1.440 -8.253 -3.913 247 HB2 LYS 39 1HB LYS 39 -0.588 -7.720 -6.092 248 HB3 LYS 39 2HB LYS 39 0.999 -6.974 -5.952 249 HG2 LYS 39 1HG LYS 39 1.952 -9.321 -6.109 250 HG3 LYS 39 2HG LYS 39 0.335 -9.827 -6.605 251 HD2 LYS 39 1HD LYS 39 1.734 -7.560 -7.982 252 HD3 LYS 39 2HD LYS 39 2.062 -9.235 -8.430 253 HE2 LYS 39 1HE LYS 39 -0.496 -9.455 -8.626 254 HE3 LYS 39 2HE LYS 39 -0.502 -7.692 -8.642 255 HZ1 LYS 39 3HZ LYS 39 -0.445 -8.796 -10.873 256 HZ2 LYS 39 1HZ LYS 39 1.125 -9.314 -10.514 257 HZ3 LYS 39 2HZ LYS 39 0.780 -7.661 -10.607 258 H VAL 40 H VAL 40 1.242 -5.746 -4.142 259 HA VAL 40 HA VAL 40 -1.132 -4.765 -2.723 260 HB VAL 40 HB VAL 40 1.706 -4.129 -1.903 261 HG11 VAL 40 1HG1 VAL 40 -0.063 -3.257 0.055 262 HG12 VAL 40 2HG1 VAL 40 0.834 -2.251 -1.084 263 HG13 VAL 40 3HG1 VAL 40 -0.808 -2.770 -1.467 264 HG21 VAL 40 3HG2 VAL 40 1.350 -6.221 -0.995 265 HG22 VAL 40 1HG2 VAL 40 0.763 -5.169 0.294 266 HG23 VAL 40 2HG2 VAL 40 -0.382 -5.956 -0.793 267 H VAL 41 H VAL 41 -1.977 -3.320 -4.072 268 HA VAL 41 HA VAL 41 -0.160 -1.514 -5.527 269 HB VAL 41 HB VAL 41 -1.739 -1.297 -7.245 270 HG11 VAL 41 1HG1 VAL 41 -0.636 -3.636 -6.849 271 HG12 VAL 41 2HG1 VAL 41 -2.300 -4.145 -6.554 272 HG13 VAL 41 3HG1 VAL 41 -1.858 -3.428 -8.104 273 HG21 VAL 41 3HG2 VAL 41 -3.742 -0.856 -6.077 274 HG22 VAL 41 1HG2 VAL 41 -4.054 -2.314 -7.019 275 HG23 VAL 41 2HG2 VAL 41 -3.724 -2.435 -5.291 276 H PHE 42 H PHE 42 -0.735 0.707 -5.717 277 HA PHE 42 HA PHE 42 -2.375 1.657 -3.467 278 HB2 PHE 42 1HB PHE 42 0.026 2.814 -4.859 279 HB3 PHE 42 2HB PHE 42 -1.049 3.835 -3.909 280 HD1 PHE 42 2HD PHE 42 0.648 0.528 -3.540 281 HD2 PHE 42 1HD PHE 42 -0.377 4.259 -1.767 282 HE1 PHE 42 2HE PHE 42 1.850 -0.119 -1.493 283 HE2 PHE 42 1HE PHE 42 0.825 3.619 0.283 284 HZ PHE 42 HZ PHE 42 1.939 1.427 0.422 285 H ILE 43 H ILE 43 -3.593 3.651 -3.795 286 HA ILE 43 HA ILE 43 -4.340 4.147 -6.593 287 HB ILE 43 HB ILE 43 -6.707 4.260 -5.988 288 HG12 ILE 43 1HG1 ILE 43 -6.067 2.978 -3.348 289 HG13 ILE 43 2HG1 ILE 43 -6.091 4.731 -3.503 290 HG21 ILE 43 1HG2 ILE 43 -5.170 1.738 -5.577 291 HG22 ILE 43 2HG2 ILE 43 -6.916 1.735 -5.332 292 HG23 ILE 43 3HG2 ILE 43 -6.247 2.199 -6.896 293 HD11 ILE 43 3HD1 ILE 43 -8.455 3.826 -4.691 294 HD12 ILE 43 1HD1 ILE 43 -8.269 2.903 -3.200 295 HD13 ILE 43 2HD1 ILE 43 -8.270 4.666 -3.151 296 H GLU 44 H GLU 44 -4.964 6.236 -7.076 297 HA GLU 44 HA GLU 44 -4.907 8.187 -4.878 298 HB2 GLU 44 1HB GLU 44 -2.738 8.387 -5.814 299 HB3 GLU 44 2HB GLU 44 -3.355 8.278 -7.457 300 HG2 GLU 44 1HG GLU 44 -4.581 10.465 -6.938 301 HG3 GLU 44 2HG GLU 44 -3.500 10.581 -5.550 302 H ARG 45 H ARG 45 -6.368 9.816 -5.015 303 HA ARG 45 HA ARG 45 -8.299 9.647 -7.205 304 HB2 ARG 45 1HB ARG 45 -8.460 11.116 -4.567 305 HB3 ARG 45 2HB ARG 45 -9.755 10.995 -5.750 306 HG2 ARG 45 1HG ARG 45 -10.386 9.337 -4.335 307 HG3 ARG 45 2HG ARG 45 -9.338 8.408 -5.409 308 HD2 ARG 45 1HD ARG 45 -7.487 8.668 -3.844 309 HD3 ARG 45 2HD ARG 45 -8.509 9.634 -2.781 310 HE ARG 45 HE ARG 45 -8.503 6.769 -3.053 311 HH11 ARG 45 1HH1 ARG 45 -10.339 9.561 -2.077 312 HH12 ARG 45 2HH1 ARG 45 -11.370 8.671 -1.007 313 HH21 ARG 45 1HH2 ARG 45 -9.855 5.586 -1.647 314 HH22 ARG 45 2HH2 ARG 45 -11.093 6.410 -0.762 315 H GLY 46 H GLY 46 -8.774 11.330 -8.560 316 HA2 GLY 46 1HA GLY 46 -6.920 13.620 -8.430 317 HA3 GLY 46 2HA GLY 46 -7.640 12.993 -9.906 318 HA PRO 47 HA PRO 47 -10.087 16.626 -8.087 319 HB2 PRO 47 1HB PRO 47 -9.460 18.466 -9.982 320 HB3 PRO 47 2HB PRO 47 -8.516 18.249 -8.504 321 HG2 PRO 47 1HG PRO 47 -7.983 17.211 -11.261 322 HG3 PRO 47 2HG PRO 47 -6.853 17.928 -10.098 323 HD2 PRO 47 1HD PRO 47 -7.053 15.255 -10.477 324 HD3 PRO 47 2HD PRO 47 -6.642 15.968 -8.904 325 H ASP 48 H ASP 48 -9.826 14.799 -10.922 326 HA ASP 48 HA ASP 48 -12.003 16.004 -12.363 327 HB2 ASP 48 1HB ASP 48 -10.032 14.645 -13.331 328 HB3 ASP 48 2HB ASP 48 -10.950 13.225 -12.838 329 H GLY 49 H GLY 49 -11.576 13.258 -10.197 330 HA2 GLY 49 1HA GLY 49 -13.697 12.955 -8.813 331 HA3 GLY 49 2HA GLY 49 -14.472 12.727 -10.373 332 H LYS 50 H LYS 50 -11.984 11.322 -11.341 333 HA LYS 50 HA LYS 50 -12.563 8.731 -10.067 334 HB2 LYS 50 1HB LYS 50 -11.565 9.322 -12.859 335 HB3 LYS 50 2HB LYS 50 -11.814 7.712 -12.196 336 HG2 LYS 50 1HG LYS 50 -14.245 8.673 -11.766 337 HG3 LYS 50 2HG LYS 50 -13.793 9.718 -13.114 338 HD2 LYS 50 1HD LYS 50 -14.816 7.877 -14.133 339 HD3 LYS 50 2HD LYS 50 -13.088 7.558 -14.302 340 HE2 LYS 50 1HE LYS 50 -13.952 5.517 -13.590 341 HE3 LYS 50 2HE LYS 50 -13.330 6.240 -12.108 342 HZ1 LYS 50 3HZ LYS 50 -15.472 6.769 -11.386 343 HZ2 LYS 50 1HZ LYS 50 -15.628 5.208 -12.019 344 HZ3 LYS 50 2HZ LYS 50 -16.159 6.540 -12.915 345 H LEU 51 H LEU 51 -10.832 7.261 -9.721 346 HA LEU 51 HA LEU 51 -8.257 8.614 -9.322 347 HB2 LEU 51 1HB LEU 51 -7.808 6.584 -7.849 348 HB3 LEU 51 2HB LEU 51 -8.981 7.767 -7.277 349 HG LEU 51 HG LEU 51 -10.789 6.245 -8.122 350 HD11 LEU 51 1HD1 LEU 51 -10.051 4.710 -9.588 351 HD12 LEU 51 2HD1 LEU 51 -9.688 3.776 -8.137 352 HD13 LEU 51 3HD1 LEU 51 -8.416 4.708 -8.927 353 HD21 LEU 51 3HD2 LEU 51 -10.705 6.023 -5.878 354 HD22 LEU 51 1HD2 LEU 51 -8.964 5.738 -5.861 355 HD23 LEU 51 2HD2 LEU 51 -10.068 4.426 -6.276 356 H GLN 52 H GLN 52 -6.443 7.949 -10.323 357 HA GLN 52 HA GLN 52 -6.385 5.358 -11.657 358 HB2 GLN 52 1HB GLN 52 -5.814 7.931 -13.138 359 HB3 GLN 52 2HB GLN 52 -5.689 6.303 -13.791 360 HG2 GLN 52 1HG GLN 52 -8.287 7.271 -12.688 361 HG3 GLN 52 2HG GLN 52 -7.775 7.749 -14.306 362 HE21 GLN 52 1HE2 GLN 52 -9.899 6.522 -14.618 363 HE22 GLN 52 2HE2 GLN 52 -9.749 4.838 -14.974 364 H TRP 53 H TRP 53 -4.667 4.523 -10.640 365 HA TRP 53 HA TRP 53 -2.087 5.781 -11.049 366 HB2 TRP 53 1HB TRP 53 -2.927 6.718 -8.889 367 HB3 TRP 53 2HB TRP 53 -2.991 5.078 -8.250 368 HD1 TRP 53 HD TRP 53 -0.021 5.919 -10.438 369 HE1 TRP 53 1HE TRP 53 2.092 6.072 -8.977 370 HE3 TRP 53 3HE TRP 53 -2.211 5.747 -5.821 371 HZ2 TRP 53 2HZ TRP 53 2.745 6.114 -6.231 372 HZ3 TRP 53 3HZ TRP 53 -0.772 5.849 -3.829 373 HH2 TRP 53 HH TRP 53 1.655 6.028 -4.031 374 H GLU 54 H GLU 54 -1.085 4.151 -12.043 375 HA GLU 54 HA GLU 54 -1.425 1.427 -10.997 376 HB2 GLU 54 1HB GLU 54 -1.943 1.738 -13.378 377 HB3 GLU 54 2HB GLU 54 -0.321 2.359 -13.653 378 HG2 GLU 54 1HG GLU 54 0.621 0.202 -13.019 379 HG3 GLU 54 2HG GLU 54 -1.002 -0.423 -12.729 380 H GLU 55 H GLU 55 0.025 1.353 -9.324 381 HA GLU 55 HA GLU 55 2.855 1.531 -10.095 382 HB2 GLU 55 1HB GLU 55 3.385 2.492 -7.885 383 HB3 GLU 55 2HB GLU 55 2.357 3.549 -8.842 384 HG2 GLU 55 1HG GLU 55 1.413 3.664 -6.740 385 HG3 GLU 55 2HG GLU 55 0.411 2.467 -7.557 386 H GLU 56 H GLU 56 4.287 0.203 -8.845 387 HA GLU 56 HA GLU 56 2.944 -1.936 -7.335 388 HB2 GLU 56 1HB GLU 56 3.418 -2.874 -9.488 389 HB3 GLU 56 2HB GLU 56 5.052 -2.225 -9.475 390 HG2 GLU 56 1HG GLU 56 5.440 -4.416 -8.953 391 HG3 GLU 56 2HG GLU 56 5.322 -3.701 -7.346 392 H ALA 57 H ALA 57 3.912 -2.547 -5.478 393 HA ALA 57 HA ALA 57 6.419 -1.179 -4.775 394 HB1 ALA 57 3HB ALA 57 4.893 -0.496 -3.193 395 HB2 ALA 57 1HB ALA 57 4.049 -2.045 -3.180 396 HB3 ALA 57 2HB ALA 57 5.620 -1.888 -2.392 397 H THR 58 H THR 58 8.149 -2.298 -3.950 398 HA THR 58 HA THR 58 8.531 -4.950 -4.780 399 HB THR 58 HB THR 58 10.094 -3.492 -2.642 400 HG1 THR 58 1HG THR 58 9.887 -2.401 -4.747 401 HG21 THR 58 3HG2 THR 58 11.418 -5.366 -4.487 402 HG22 THR 58 1HG2 THR 58 10.297 -6.104 -3.344 403 HG23 THR 58 2HG2 THR 58 11.644 -5.131 -2.754 404 H VAL 59 H VAL 59 7.356 -6.590 -4.002 405 HA VAL 59 HA VAL 59 6.592 -6.676 -1.199 406 HB VAL 59 HB VAL 59 5.980 -8.561 -3.478 407 HG11 VAL 59 1HG1 VAL 59 5.917 -9.884 -1.528 408 HG12 VAL 59 2HG1 VAL 59 5.150 -8.602 -0.588 409 HG13 VAL 59 3HG1 VAL 59 4.242 -9.436 -1.850 410 HG21 VAL 59 3HG2 VAL 59 4.250 -6.541 -2.051 411 HG22 VAL 59 1HG2 VAL 59 4.915 -6.370 -3.676 412 HG23 VAL 59 2HG2 VAL 59 3.726 -7.628 -3.338 413 H ASN 60 H ASN 60 7.837 -7.584 0.287 414 HA ASN 60 HA ASN 60 10.004 -9.351 -0.501 415 HB2 ASN 60 1HB ASN 60 10.358 -7.504 1.141 416 HB3 ASN 60 2HB ASN 60 9.282 -8.339 2.257 417 HD21 ASN 60 1HD2 ASN 60 11.836 -7.731 2.986 418 HD22 ASN 60 2HD2 ASN 60 12.771 -9.178 3.111 419 H ARG 61 H ARG 61 9.227 -11.348 -0.964 420 HA ARG 61 HA ARG 61 7.134 -12.630 0.439 421 HB2 ARG 61 1HB ARG 61 9.154 -13.435 -1.590 422 HB3 ARG 61 2HB ARG 61 8.376 -14.719 -0.673 423 HG2 ARG 61 1HG ARG 61 6.956 -14.579 -2.445 424 HG3 ARG 61 2HG ARG 61 6.189 -13.423 -1.353 425 HD2 ARG 61 1HD ARG 61 6.267 -12.326 -3.422 426 HD3 ARG 61 2HD ARG 61 7.613 -11.650 -2.506 427 HE ARG 61 HE ARG 61 8.748 -13.691 -3.880 428 HH11 ARG 61 1HH1 ARG 61 6.782 -10.968 -4.799 429 HH12 ARG 61 2HH1 ARG 61 7.490 -10.823 -6.374 430 HH21 ARG 61 1HH2 ARG 61 9.687 -13.510 -5.951 431 HH22 ARG 61 2HH2 ARG 61 9.141 -12.270 -7.028 432 H LEU 62 H LEU 62 10.667 -13.028 0.575 433 HA LEU 62 HA LEU 62 10.977 -15.065 2.324 434 HB2 LEU 62 1HB LEU 62 12.440 -12.454 2.131 435 HB3 LEU 62 2HB LEU 62 12.924 -13.693 3.288 436 HG LEU 62 HG LEU 62 12.696 -14.376 0.385 437 HD11 LEU 62 1HD1 LEU 62 15.389 -13.778 0.978 438 HD12 LEU 62 2HD1 LEU 62 14.429 -12.371 1.432 439 HD13 LEU 62 3HD1 LEU 62 14.334 -13.010 -0.209 440 HD21 LEU 62 3HD2 LEU 62 14.670 -15.340 2.433 441 HD22 LEU 62 1HD2 LEU 62 14.192 -16.102 0.915 442 HD23 LEU 62 2HD2 LEU 62 13.063 -16.052 2.270 443 H GLN 63 H GLN 63 10.197 -11.718 3.205 444 HA GLN 63 HA GLN 63 9.997 -12.376 6.009 445 HB2 GLN 63 1HB GLN 63 9.671 -9.894 4.374 446 HB3 GLN 63 2HB GLN 63 8.990 -9.942 5.995 447 HG2 GLN 63 1HG GLN 63 11.832 -10.736 5.572 448 HG3 GLN 63 2HG GLN 63 11.394 -9.029 5.597 449 HE21 GLN 63 1HE2 GLN 63 11.116 -8.050 7.498 450 HE22 GLN 63 2HE2 GLN 63 11.125 -8.842 9.034 451 H SER 64 H SER 64 7.788 -11.634 3.351 452 HA SER 64 HA SER 64 5.394 -11.445 4.696 453 HB2 SER 64 1HB SER 64 5.912 -12.764 2.020 454 HB3 SER 64 2HB SER 64 4.326 -12.268 2.612 455 HG SER 64 HG SER 64 5.132 -10.637 1.322 456 H ASN 65 H ASN 65 4.166 -12.781 5.852 457 HA ASN 65 HA ASN 65 4.689 -15.675 5.663 458 HB2 ASN 65 1HB ASN 65 5.544 -14.560 7.775 459 HB3 ASN 65 2HB ASN 65 3.863 -14.238 8.188 460 HD21 ASN 65 1HD2 ASN 65 4.027 -15.508 10.041 461 HD22 ASN 65 2HD2 ASN 65 4.057 -17.234 9.964 462 H GLU 66 H GLU 66 2.826 -16.980 6.603 463 HA GLU 66 HA GLU 66 0.547 -16.669 5.116 464 HB2 GLU 66 1HB GLU 66 1.050 -18.740 6.272 465 HB3 GLU 66 2HB GLU 66 0.830 -17.961 7.833 466 HG2 GLU 66 1HG GLU 66 -1.163 -19.053 7.596 467 HG3 GLU 66 2HG GLU 66 -1.565 -17.469 6.935 468 H VAL 67 H VAL 67 1.389 -15.098 8.100 469 HA VAL 67 HA VAL 67 -1.147 -13.607 7.979 470 HB VAL 67 HB VAL 67 -1.274 -13.513 10.387 471 HG11 VAL 67 1HG1 VAL 67 -2.387 -15.387 9.370 472 HG12 VAL 67 2HG1 VAL 67 -0.891 -16.323 9.363 473 HG13 VAL 67 3HG1 VAL 67 -1.667 -15.909 10.893 474 HG21 VAL 67 3HG2 VAL 67 0.700 -15.496 11.078 475 HG22 VAL 67 1HG2 VAL 67 1.452 -14.107 10.292 476 HG23 VAL 67 2HG2 VAL 67 0.461 -13.876 11.733 477 H THR 68 H THR 68 1.487 -12.975 6.900 478 HA THR 68 HA THR 68 1.761 -10.340 8.073 479 HB THR 68 HB THR 68 4.191 -12.130 7.912 480 HG1 THR 68 1HG THR 68 3.956 -11.617 10.352 481 HG21 THR 68 3HG2 THR 68 5.438 -10.315 8.342 482 HG22 THR 68 1HG2 THR 68 4.298 -9.710 9.543 483 HG23 THR 68 2HG2 THR 68 4.030 -9.385 7.830 484 H LEU 69 H LEU 69 2.616 -8.833 6.665 485 HA LEU 69 HA LEU 69 3.640 -9.764 4.089 486 HB2 LEU 69 1HB LEU 69 1.124 -8.265 4.555 487 HB3 LEU 69 2HB LEU 69 2.112 -7.783 3.177 488 HG LEU 69 HG LEU 69 1.012 -10.554 3.642 489 HD11 LEU 69 1HD1 LEU 69 -0.892 -9.477 3.042 490 HD12 LEU 69 2HD1 LEU 69 -0.219 -9.734 1.432 491 HD13 LEU 69 3HD1 LEU 69 -0.031 -8.171 2.227 492 HD21 LEU 69 3HD2 LEU 69 1.660 -10.353 1.007 493 HD22 LEU 69 1HD2 LEU 69 2.679 -11.093 2.242 494 HD23 LEU 69 2HD2 LEU 69 2.952 -9.418 1.762 495 H THR 70 H THR 70 5.604 -8.869 4.104 496 HA THR 70 HA THR 70 5.861 -6.058 4.941 497 HB THR 70 HB THR 70 8.062 -8.116 4.691 498 HG1 THR 70 1HG THR 70 6.916 -8.739 6.451 499 HG21 THR 70 3HG2 THR 70 8.217 -5.555 6.236 500 HG22 THR 70 1HG2 THR 70 8.513 -5.558 4.498 501 HG23 THR 70 2HG2 THR 70 9.520 -6.536 5.566 502 H LEU 71 H LEU 71 6.239 -4.580 3.429 503 HA LEU 71 HA LEU 71 7.726 -5.295 1.024 504 HB2 LEU 71 1HB LEU 71 6.090 -4.339 -0.467 505 HB3 LEU 71 2HB LEU 71 5.366 -5.649 0.464 506 HG LEU 71 HG LEU 71 5.014 -2.806 1.335 507 HD11 LEU 71 1HD1 LEU 71 4.336 -2.679 -0.934 508 HD12 LEU 71 2HD1 LEU 71 2.867 -2.842 0.029 509 HD13 LEU 71 3HD1 LEU 71 3.507 -4.234 -0.843 510 HD21 LEU 71 3HD2 LEU 71 4.361 -4.966 2.636 511 HD22 LEU 71 1HD2 LEU 71 3.008 -5.011 1.506 512 HD23 LEU 71 2HD2 LEU 71 3.233 -3.612 2.556 513 H THR 72 H THR 72 8.397 -3.392 -0.224 514 HA THR 72 HA THR 72 9.103 -1.219 1.569 515 HB THR 72 HB THR 72 9.906 -1.619 -1.318 516 HG1 THR 72 1HG THR 72 10.906 -3.267 -0.356 517 HG21 THR 72 3HG2 THR 72 11.068 0.281 -1.155 518 HG22 THR 72 1HG2 THR 72 11.751 -0.192 0.400 519 HG23 THR 72 2HG2 THR 72 10.179 0.605 0.333 520 H VAL 73 H VAL 73 7.692 0.388 1.806 521 HA VAL 73 HA VAL 73 5.494 1.047 0.392 522 HB VAL 73 HB VAL 73 7.382 3.110 1.533 523 HG11 VAL 73 1HG1 VAL 73 4.425 3.157 0.957 524 HG12 VAL 73 2HG1 VAL 73 5.266 4.376 1.917 525 HG13 VAL 73 3HG1 VAL 73 5.677 4.153 0.216 526 HG21 VAL 73 3HG2 VAL 73 6.228 0.980 2.870 527 HG22 VAL 73 1HG2 VAL 73 6.849 2.462 3.599 528 HG23 VAL 73 2HG2 VAL 73 5.137 2.326 3.197 529 HA PRO 74 HA PRO 74 6.929 2.194 -3.644 530 HB2 PRO 74 1HB PRO 74 4.549 3.104 -4.581 531 HB3 PRO 74 2HB PRO 74 4.920 1.384 -4.409 532 HG2 PRO 74 1HG PRO 74 3.356 3.176 -2.591 533 HG3 PRO 74 2HG PRO 74 2.998 1.517 -3.107 534 HD2 PRO 74 1HD PRO 74 4.086 2.091 -0.694 535 HD3 PRO 74 2HD PRO 74 4.453 0.594 -1.575 536 H GLU 75 H GLU 75 6.997 4.125 -5.020 537 HA GLU 75 HA GLU 75 7.194 6.538 -3.387 538 HB2 GLU 75 1HB GLU 75 8.408 5.610 -5.943 539 HB3 GLU 75 2HB GLU 75 8.210 7.342 -5.716 540 HG2 GLU 75 1HG GLU 75 9.587 7.337 -3.788 541 HG3 GLU 75 2HG GLU 75 9.594 5.576 -3.720 542 H TYR 76 H TYR 76 5.654 8.024 -3.417 543 HA TYR 76 HA TYR 76 3.343 7.866 -4.978 544 HB2 TYR 76 1HB TYR 76 3.608 9.103 -2.798 545 HB3 TYR 76 2HB TYR 76 4.425 10.379 -3.695 546 HD1 TYR 76 1HD TYR 76 1.422 8.384 -4.636 547 HD2 TYR 76 2HD TYR 76 2.979 12.202 -3.587 548 HE1 TYR 76 1HE TYR 76 -0.755 9.406 -5.152 549 HE2 TYR 76 2HE TYR 76 0.806 13.235 -4.099 550 HH TYR 76 HH TYR 76 -1.904 11.873 -4.186 551 H SER 77 H SER 77 2.539 9.500 -6.519 552 HA SER 77 HA SER 77 4.450 9.876 -8.635 553 HB2 SER 77 1HB SER 77 2.386 9.314 -9.516 554 HB3 SER 77 2HB SER 77 1.500 10.264 -8.323 555 HG SER 77 HG SER 77 2.727 11.078 -10.704 556 H ASN 78 H ASN 78 2.188 12.164 -7.089 557 HA ASN 78 HA ASN 78 3.935 14.371 -7.817 558 HB2 ASN 78 1HB ASN 78 1.341 14.329 -7.981 559 HB3 ASN 78 2HB ASN 78 1.386 14.655 -6.251 560 HD21 ASN 78 1HD2 ASN 78 0.166 16.536 -7.395 561 HD22 ASN 78 2HD2 ASN 78 1.134 17.931 -7.714 562 H LYS 79 H LYS 79 5.652 14.565 -6.505 563 HA LYS 79 HA LYS 79 5.265 14.314 -3.608 564 HB2 LYS 79 1HB LYS 79 7.889 14.581 -5.073 565 HB3 LYS 79 2HB LYS 79 7.629 14.030 -3.423 566 HG2 LYS 79 1HG LYS 79 6.253 12.137 -4.548 567 HG3 LYS 79 2HG LYS 79 7.159 12.590 -5.994 568 HD2 LYS 79 1HD LYS 79 9.255 12.345 -4.599 569 HD3 LYS 79 2HD LYS 79 8.238 11.608 -3.359 570 HE2 LYS 79 1HE LYS 79 8.110 10.572 -6.153 571 HE3 LYS 79 2HE LYS 79 9.483 10.131 -5.139 572 HZ1 LYS 79 3HZ LYS 79 7.120 8.837 -5.189 573 HZ2 LYS 79 1HZ LYS 79 6.927 9.842 -3.841 574 HZ3 LYS 79 2HZ LYS 79 8.231 8.767 -3.915 575 H ARG 80 H ARG 80 6.167 16.573 -6.116 576 HA ARG 80 HA ARG 80 7.393 18.611 -4.811 577 HB2 ARG 80 1HB ARG 80 5.143 18.865 -6.815 578 HB3 ARG 80 2HB ARG 80 6.235 20.166 -6.361 579 HG2 ARG 80 1HG ARG 80 7.364 17.610 -7.395 580 HG3 ARG 80 2HG ARG 80 6.659 18.772 -8.521 581 HD2 ARG 80 1HD ARG 80 8.156 20.494 -7.299 582 HD3 ARG 80 2HD ARG 80 9.035 19.079 -6.724 583 HE ARG 80 HE ARG 80 8.684 18.985 -9.538 584 HH11 ARG 80 1HH1 ARG 80 10.546 20.529 -7.034 585 HH12 ARG 80 2HH1 ARG 80 11.918 20.819 -8.052 586 HH21 ARG 80 1HH2 ARG 80 10.484 19.361 -10.888 587 HH22 ARG 80 2HH2 ARG 80 11.881 20.155 -10.244 588 H VAL 81 H VAL 81 4.003 17.718 -4.588 589 HA VAL 81 HA VAL 81 2.698 19.764 -3.499 590 HB VAL 81 HB VAL 81 1.622 18.169 -1.858 591 HG11 VAL 81 1HG1 VAL 81 0.361 18.152 -3.723 592 HG12 VAL 81 2HG1 VAL 81 1.748 17.913 -4.787 593 HG13 VAL 81 3HG1 VAL 81 1.043 16.540 -3.934 594 HG21 VAL 81 3HG2 VAL 81 3.162 15.985 -3.191 595 HG22 VAL 81 1HG2 VAL 81 3.843 16.801 -1.784 596 HG23 VAL 81 2HG2 VAL 81 2.292 15.971 -1.657 597 H SER 82 H SER 82 2.528 20.884 -1.580 598 HA SER 82 HA SER 82 4.893 20.756 0.138 599 HB2 SER 82 1HB SER 82 4.199 22.935 -0.894 600 HB3 SER 82 2HB SER 82 2.730 22.871 0.080 601 HG SER 82 HG SER 82 4.831 22.453 1.667 602 H ARG 83 H ARG 83 1.805 19.560 0.088 603 HA ARG 83 HA ARG 83 1.744 19.367 3.026 604 HB2 ARG 83 1HB ARG 83 -0.825 19.156 2.635 605 HB3 ARG 83 2HB ARG 83 -0.078 20.748 2.660 606 HG2 ARG 83 1HG ARG 83 -0.414 19.311 0.066 607 HG3 ARG 83 2HG ARG 83 -1.787 20.140 0.803 608 HD2 ARG 83 1HD ARG 83 0.809 21.582 0.543 609 HD3 ARG 83 2HD ARG 83 -0.202 21.380 -0.887 610 HE ARG 83 HE ARG 83 -1.558 22.440 1.436 611 HH11 ARG 83 1HH1 ARG 83 0.193 23.151 -1.488 612 HH12 ARG 83 2HH1 ARG 83 -0.447 24.754 -1.637 613 HH21 ARG 83 1HH2 ARG 83 -2.408 24.548 1.251 614 HH22 ARG 83 2HH2 ARG 83 -1.926 25.548 -0.078 615 HA PRO 84 HA PRO 84 1.498 15.008 2.591 616 HB2 PRO 84 1HB PRO 84 -0.156 14.331 4.635 617 HB3 PRO 84 2HB PRO 84 1.504 14.884 4.886 618 HG2 PRO 84 1HG PRO 84 -1.058 16.417 5.107 619 HG3 PRO 84 2HG PRO 84 0.358 16.444 6.174 620 HD2 PRO 84 1HD PRO 84 -0.104 18.362 4.320 621 HD3 PRO 84 2HD PRO 84 1.534 17.862 4.789 622 H VAL 85 H VAL 85 0.442 13.777 1.175 623 HA VAL 85 HA VAL 85 -2.332 14.399 0.520 624 HB VAL 85 HB VAL 85 -0.479 12.442 -0.842 625 HG11 VAL 85 1HG1 VAL 85 -2.219 13.223 -2.731 626 HG12 VAL 85 2HG1 VAL 85 -2.479 11.818 -1.695 627 HG13 VAL 85 3HG1 VAL 85 -3.248 13.358 -1.305 628 HG21 VAL 85 3HG2 VAL 85 -0.634 15.359 -0.952 629 HG22 VAL 85 1HG2 VAL 85 0.644 14.268 -1.488 630 HG23 VAL 85 2HG2 VAL 85 -0.744 14.580 -2.530 631 H GLN 86 H GLN 86 -3.983 12.837 0.474 632 HA GLN 86 HA GLN 86 -3.522 10.579 2.299 633 HB2 GLN 86 1HB GLN 86 -5.188 12.018 3.189 634 HB3 GLN 86 2HB GLN 86 -5.998 12.163 1.635 635 HG2 GLN 86 1HG GLN 86 -7.337 10.750 2.954 636 HG3 GLN 86 2HG GLN 86 -6.512 9.708 1.797 637 HE21 GLN 86 1HE2 GLN 86 -6.478 7.844 2.918 638 HE22 GLN 86 2HE2 GLN 86 -5.675 7.629 4.432 639 H VAL 87 H VAL 87 -3.097 8.787 1.175 640 HA VAL 87 HA VAL 87 -4.752 8.204 -1.195 641 HB VAL 87 HB VAL 87 -2.959 6.788 -2.015 642 HG11 VAL 87 1HG1 VAL 87 -2.177 8.610 -3.011 643 HG12 VAL 87 2HG1 VAL 87 -2.797 9.610 -1.697 644 HG13 VAL 87 3HG1 VAL 87 -1.167 8.942 -1.605 645 HG21 VAL 87 3HG2 VAL 87 -2.178 6.269 0.393 646 HG22 VAL 87 1HG2 VAL 87 -0.974 6.345 -0.893 647 HG23 VAL 87 2HG2 VAL 87 -1.174 7.708 0.208 648 H TYR 88 H TYR 88 -4.698 5.681 -1.599 649 HA TYR 88 HA TYR 88 -5.082 4.239 0.921 650 HB2 TYR 88 1HB TYR 88 -7.127 4.401 -1.300 651 HB3 TYR 88 2HB TYR 88 -7.212 3.279 0.053 652 HD1 TYR 88 2HD TYR 88 -6.877 6.943 -0.604 653 HD2 TYR 88 1HD TYR 88 -8.456 3.889 1.902 654 HE1 TYR 88 2HE TYR 88 -8.047 8.649 0.727 655 HE2 TYR 88 1HE TYR 88 -9.631 5.586 3.240 656 HH TYR 88 HH TYR 88 -9.846 7.787 3.644 657 H PHE 89 H PHE 89 -5.096 1.917 0.681 658 HA PHE 89 HA PHE 89 -4.216 0.850 -1.882 659 HB2 PHE 89 1HB PHE 89 -2.259 -0.275 -0.852 660 HB3 PHE 89 2HB PHE 89 -2.113 1.480 -0.847 661 HD1 PHE 89 2HD PHE 89 -2.934 -1.444 1.265 662 HD2 PHE 89 1HD PHE 89 -1.831 2.666 1.155 663 HE1 PHE 89 2HE PHE 89 -2.537 -1.489 3.693 664 HE2 PHE 89 1HE PHE 89 -1.431 2.627 3.583 665 HZ PHE 89 HZ PHE 89 -1.785 0.548 4.855 666 H TYR 90 H TYR 90 -4.154 -1.525 -1.893 667 HA TYR 90 HA TYR 90 -5.539 -2.858 0.291 668 HB2 TYR 90 1HB TYR 90 -7.247 -3.819 -1.215 669 HB3 TYR 90 2HB TYR 90 -7.385 -2.069 -1.087 670 HD1 TYR 90 2HD TYR 90 -6.358 -0.661 -2.963 671 HD2 TYR 90 1HD TYR 90 -7.049 -4.845 -3.308 672 HE1 TYR 90 2HE TYR 90 -6.256 -0.469 -5.413 673 HE2 TYR 90 1HE TYR 90 -6.948 -4.665 -5.759 674 HH TYR 90 HH TYR 90 -7.297 -1.955 -7.420 675 H VAL 91 H VAL 91 -5.706 -5.249 -0.133 676 HA VAL 91 HA VAL 91 -3.233 -6.143 -1.433 677 HB VAL 91 HB VAL 91 -4.994 -7.652 0.504 678 HG11 VAL 91 1HG1 VAL 91 -3.152 -8.656 -1.251 679 HG12 VAL 91 2HG1 VAL 91 -2.192 -8.428 0.212 680 HG13 VAL 91 3HG1 VAL 91 -3.647 -9.423 0.257 681 HG21 VAL 91 3HG2 VAL 91 -2.541 -7.096 1.703 682 HG22 VAL 91 1HG2 VAL 91 -3.023 -5.585 0.931 683 HG23 VAL 91 2HG2 VAL 91 -4.100 -6.367 2.089 684 H SER 92 H SER 92 -3.255 -7.372 -3.207 685 HA SER 92 HA SER 92 -5.854 -8.195 -4.275 686 HB2 SER 92 1HB SER 92 -4.508 -8.563 -6.400 687 HB3 SER 92 2HB SER 92 -4.608 -6.894 -5.838 688 HG SER 92 HG SER 92 -2.535 -7.018 -5.100 689 H ASN 93 H ASN 93 -6.472 -10.203 -3.859 690 HA ASN 93 HA ASN 93 -4.440 -12.335 -3.909 691 HB2 ASN 93 1HB ASN 93 -6.787 -12.017 -2.033 692 HB3 ASN 93 2HB ASN 93 -5.895 -13.525 -2.215 693 HD21 ASN 93 1HD2 ASN 93 -5.392 -13.348 0.023 694 HD22 ASN 93 2HD2 ASN 93 -4.115 -12.312 0.553 695 H GLY 94 H GLY 94 -4.793 -13.227 -5.870 696 HA2 GLY 94 1HA GLY 94 -5.903 -14.855 -7.161 697 HA3 GLY 94 2HA GLY 94 -7.387 -14.504 -6.288 698 H ARG 95 H ARG 95 -8.867 -13.813 -7.678 699 HA ARG 95 HA ARG 95 -8.096 -11.713 -9.588 700 HB2 ARG 95 1HB ARG 95 -9.591 -12.691 -11.260 701 HB3 ARG 95 2HB ARG 95 -8.331 -13.828 -10.800 702 HG2 ARG 95 1HG ARG 95 -9.922 -14.971 -9.321 703 HG3 ARG 95 2HG ARG 95 -11.183 -13.849 -9.837 704 HD2 ARG 95 1HD ARG 95 -10.824 -14.615 -12.174 705 HD3 ARG 95 2HD ARG 95 -9.689 -15.818 -11.563 706 HE ARG 95 HE ARG 95 -12.560 -15.917 -11.433 707 HH11 ARG 95 1HH1 ARG 95 -9.584 -17.050 -10.028 708 HH12 ARG 95 2HH1 ARG 95 -10.291 -18.485 -9.365 709 HH21 ARG 95 1HH2 ARG 95 -13.504 -17.803 -10.565 710 HH22 ARG 95 2HH2 ARG 95 -12.521 -18.914 -9.672 711 H ARG 96 H ARG 96 -10.738 -13.276 -7.822 712 HA ARG 96 HA ARG 96 -12.306 -10.802 -8.048 713 HB2 ARG 96 1HB ARG 96 -13.374 -12.933 -8.778 714 HB3 ARG 96 2HB ARG 96 -13.220 -13.533 -7.133 715 HG2 ARG 96 1HG ARG 96 -14.892 -12.205 -6.340 716 HG3 ARG 96 2HG ARG 96 -14.611 -10.944 -7.542 717 HD2 ARG 96 1HD ARG 96 -15.753 -12.128 -9.213 718 HD3 ARG 96 2HD ARG 96 -15.684 -13.640 -8.308 719 HE ARG 96 HE ARG 96 -17.669 -11.604 -8.094 720 HH11 ARG 96 1HH1 ARG 96 -15.965 -14.055 -6.302 721 HH12 ARG 96 2HH1 ARG 96 -17.233 -14.272 -5.141 722 HH21 ARG 96 1HH2 ARG 96 -19.346 -11.882 -6.572 723 HH22 ARG 96 2HH2 ARG 96 -19.156 -13.036 -5.296 724 H LYS 97 H LYS 97 -10.879 -13.047 -5.762 725 HA LYS 97 HA LYS 97 -12.016 -11.862 -3.430 726 HB2 LYS 97 1HB LYS 97 -9.501 -13.526 -3.619 727 HB3 LYS 97 2HB LYS 97 -10.486 -13.258 -2.188 728 HG2 LYS 97 1HG LYS 97 -12.366 -14.408 -3.390 729 HG3 LYS 97 2HG LYS 97 -11.199 -14.844 -4.640 730 HD2 LYS 97 1HD LYS 97 -10.021 -16.256 -3.226 731 HD3 LYS 97 2HD LYS 97 -10.631 -15.469 -1.769 732 HE2 LYS 97 1HE LYS 97 -12.394 -17.021 -3.649 733 HE3 LYS 97 2HE LYS 97 -11.564 -17.767 -2.284 734 HZ1 LYS 97 3HZ LYS 97 -13.506 -17.235 -1.281 735 HZ2 LYS 97 1HZ LYS 97 -13.827 -15.925 -2.303 736 HZ3 LYS 97 2HZ LYS 97 -12.717 -15.759 -1.038 737 H ARG 98 H ARG 98 -11.530 -9.937 -2.630 738 HA ARG 98 HA ARG 98 -8.748 -9.029 -2.676 739 HB2 ARG 98 1HB ARG 98 -11.070 -7.693 -3.968 740 HB3 ARG 98 2HB ARG 98 -9.913 -6.667 -3.130 741 HG2 ARG 98 1HG ARG 98 -8.968 -6.653 -5.186 742 HG3 ARG 98 2HG ARG 98 -8.191 -8.104 -4.546 743 HD2 ARG 98 1HD ARG 98 -9.165 -8.314 -6.861 744 HD3 ARG 98 2HD ARG 98 -9.695 -9.526 -5.695 745 HE ARG 98 HE ARG 98 -11.828 -8.692 -5.841 746 HH11 ARG 98 1HH1 ARG 98 -9.604 -6.451 -7.307 747 HH12 ARG 98 2HH1 ARG 98 -10.849 -5.453 -7.980 748 HH21 ARG 98 1HH2 ARG 98 -13.477 -7.385 -6.722 749 HH22 ARG 98 2HH2 ARG 98 -13.053 -5.984 -7.646 750 H SER 99 H SER 99 -8.551 -6.953 -1.309 751 HA SER 99 HA SER 99 -10.222 -7.288 1.095 752 HB2 SER 99 1HB SER 99 -8.190 -6.239 2.271 753 HB3 SER 99 2HB SER 99 -8.028 -7.903 1.711 754 HG SER 99 HG SER 99 -7.009 -7.015 -0.191 755 HA PRO 100 HA PRO 100 -11.561 -3.118 0.836 756 HB2 PRO 100 1HB PRO 100 -11.702 -2.426 3.457 757 HB3 PRO 100 2HB PRO 100 -12.848 -3.534 2.694 758 HG2 PRO 100 1HG PRO 100 -10.451 -4.152 4.377 759 HG3 PRO 100 2HG PRO 100 -12.065 -4.885 4.417 760 HD2 PRO 100 1HD PRO 100 -9.959 -6.066 3.191 761 HD3 PRO 100 2HD PRO 100 -11.627 -6.251 2.612 762 H THR 101 H THR 101 -10.491 -1.338 0.276 763 HA THR 101 HA THR 101 -7.815 -0.855 0.615 764 HB THR 101 HB THR 101 -8.256 1.505 0.080 765 HG1 THR 101 1HG THR 101 -10.397 1.281 1.392 766 HG21 THR 101 3HG2 THR 101 -9.074 -0.761 -1.448 767 HG22 THR 101 1HG2 THR 101 -8.443 0.783 -2.019 768 HG23 THR 101 2HG2 THR 101 -10.178 0.573 -1.782 769 H GLN 102 H GLN 102 -6.713 0.865 1.848 770 HA GLN 102 HA GLN 102 -7.871 1.209 4.534 771 HB2 GLN 102 1HB GLN 102 -5.018 0.570 3.783 772 HB3 GLN 102 2HB GLN 102 -5.503 1.101 5.387 773 HG2 GLN 102 1HG GLN 102 -6.333 -1.421 3.977 774 HG3 GLN 102 2HG GLN 102 -5.293 -1.276 5.393 775 HE21 GLN 102 1HE2 GLN 102 -8.413 -1.777 4.303 776 HE22 GLN 102 2HE2 GLN 102 -9.251 -1.576 5.800 777 H SER 103 H SER 103 -7.130 3.086 5.712 778 HA SER 103 HA SER 103 -6.797 5.366 3.946 779 HB2 SER 103 1HB SER 103 -7.631 4.960 6.775 780 HB3 SER 103 2HB SER 103 -6.905 6.513 6.361 781 HG SER 103 HG SER 103 -9.316 6.157 6.110 782 H PHE 104 H PHE 104 -4.859 6.105 3.427 783 HA PHE 104 HA PHE 104 -2.715 5.989 5.438 784 HB2 PHE 104 1HB PHE 104 -2.648 4.309 3.390 785 HB3 PHE 104 2HB PHE 104 -2.020 5.721 2.546 786 HD1 PHE 104 2HD PHE 104 -1.493 3.899 5.761 787 HD2 PHE 104 1HD PHE 104 0.253 5.983 2.486 788 HE1 PHE 104 2HE PHE 104 0.748 3.438 6.666 789 HE2 PHE 104 1HE PHE 104 2.497 5.524 3.385 790 HZ PHE 104 HZ PHE 104 2.746 4.251 5.479 791 H ARG 105 H ARG 105 -0.905 7.516 4.922 792 HA ARG 105 HA ARG 105 -1.613 9.792 3.266 793 HB2 ARG 105 1HB ARG 105 -2.709 10.309 5.396 794 HB3 ARG 105 2HB ARG 105 -1.188 10.072 6.246 795 HG2 ARG 105 1HG ARG 105 -0.224 11.957 4.975 796 HG3 ARG 105 2HG ARG 105 -1.801 12.221 4.229 797 HD2 ARG 105 1HD ARG 105 -1.885 13.719 5.968 798 HD3 ARG 105 2HD ARG 105 -2.625 12.301 6.711 799 HE ARG 105 HE ARG 105 0.205 12.406 7.114 800 HH11 ARG 105 1HH1 ARG 105 -2.859 13.593 8.264 801 HH12 ARG 105 2HH1 ARG 105 -2.286 13.897 9.871 802 HH21 ARG 105 1HH2 ARG 105 0.971 12.801 9.225 803 HH22 ARG 105 2HH2 ARG 105 -0.107 13.446 10.416 804 H PHE 106 H PHE 106 0.144 10.756 2.418 805 HA PHE 106 HA PHE 106 2.760 9.767 3.295 806 HB2 PHE 106 1HB PHE 106 1.939 11.148 0.731 807 HB3 PHE 106 2HB PHE 106 3.567 10.588 1.099 808 HD1 PHE 106 1HD PHE 106 3.042 7.978 2.326 809 HD2 PHE 106 2HD PHE 106 1.238 9.845 -1.047 810 HE1 PHE 106 1HE PHE 106 2.489 5.766 1.402 811 HE2 PHE 106 2HE PHE 106 0.682 7.636 -1.977 812 HZ PHE 106 HZ PHE 106 1.306 5.592 -0.752 813 H LEU 107 H LEU 107 4.262 11.066 4.166 814 HA LEU 107 HA LEU 107 3.524 13.835 4.685 815 HB2 LEU 107 1HB LEU 107 5.966 12.405 5.692 816 HB3 LEU 107 2HB LEU 107 5.186 13.834 6.365 817 HG LEU 107 HG LEU 107 3.999 11.060 6.375 818 HD11 LEU 107 1HD1 LEU 107 4.937 10.652 8.372 819 HD12 LEU 107 2HD1 LEU 107 4.790 12.328 8.901 820 HD13 LEU 107 3HD1 LEU 107 6.127 11.847 7.857 821 HD21 LEU 107 3HD2 LEU 107 2.108 12.011 7.039 822 HD22 LEU 107 1HD2 LEU 107 2.824 13.592 6.723 823 HD23 LEU 107 2HD2 LEU 107 2.952 12.871 8.328 824 HA PRO 108 HA PRO 108 6.165 15.481 1.564 825 HB2 PRO 108 1HB PRO 108 6.450 17.992 2.559 826 HB3 PRO 108 2HB PRO 108 4.962 17.425 1.791 827 HG2 PRO 108 1HG PRO 108 5.625 17.650 4.702 828 HG3 PRO 108 2HG PRO 108 4.126 18.084 3.859 829 HD2 PRO 108 1HD PRO 108 4.399 15.778 5.251 830 HD3 PRO 108 2HD PRO 108 3.377 15.905 3.805 831 H VAL 109 H VAL 109 8.302 15.409 1.229 832 HA VAL 109 HA VAL 109 10.078 15.251 3.535 833 HB VAL 109 HB VAL 109 10.849 14.881 0.645 834 HG11 VAL 109 1HG1 VAL 109 12.335 14.956 2.998 835 HG12 VAL 109 2HG1 VAL 109 12.189 13.242 2.608 836 HG13 VAL 109 3HG1 VAL 109 12.866 14.362 1.425 837 HG21 VAL 109 3HG2 VAL 109 8.915 13.392 1.806 838 HG22 VAL 109 1HG2 VAL 109 10.025 12.784 0.578 839 HG23 VAL 109 2HG2 VAL 109 10.350 12.488 2.286 840 H ILE 110 H ILE 110 8.858 17.792 2.323 841 HA ILE 110 HA ILE 110 11.283 19.236 1.569 842 HB ILE 110 HB ILE 110 8.411 20.167 1.647 843 HG12 ILE 110 1HG1 ILE 110 10.055 19.783 -0.832 844 HG13 ILE 110 2HG1 ILE 110 9.252 18.403 -0.091 845 HG21 ILE 110 1HG2 ILE 110 10.207 21.728 0.016 846 HG22 ILE 110 2HG2 ILE 110 9.110 22.247 1.294 847 HG23 ILE 110 3HG2 ILE 110 10.736 21.695 1.698 848 HD11 ILE 110 3HD1 ILE 110 7.780 20.909 -0.828 849 HD12 ILE 110 1HD1 ILE 110 8.023 19.579 -1.960 850 HD13 ILE 110 2HD1 ILE 110 7.122 19.314 -0.467 851 H CYS 111 H CYS 111 12.392 20.450 2.952 852 HA CYS 111 HA CYS 111 11.049 21.563 5.301 853 HB2 CYS 111 1HB CYS 111 12.903 20.846 6.769 854 HB3 CYS 111 2HB CYS 111 12.025 19.479 6.093 855 HG CYS 111 HG CYS 111 15.168 20.550 5.342 856 H LYS 112 H LYS 112 11.926 23.472 6.065 857 HA LYS 112 HA LYS 112 13.254 25.109 4.221 858 HB2 LYS 112 1HB LYS 112 12.624 25.343 7.141 859 HB3 LYS 112 2HB LYS 112 13.653 26.545 6.373 860 HG2 LYS 112 1HG LYS 112 11.642 27.557 6.101 861 HG3 LYS 112 2HG LYS 112 11.669 26.592 4.623 862 HD2 LYS 112 1HD LYS 112 9.577 26.087 5.429 863 HD3 LYS 112 2HD LYS 112 10.530 24.789 6.152 864 HE2 LYS 112 1HE LYS 112 10.786 26.351 8.163 865 HE3 LYS 112 2HE LYS 112 9.483 27.293 7.440 866 HZ1 LYS 112 3HZ LYS 112 8.780 24.559 7.493 867 HZ2 LYS 112 1HZ LYS 112 8.009 25.868 8.238 868 HZ3 LYS 112 2HZ LYS 112 9.250 25.047 9.043 869 H GLU 113 H GLU 113 15.309 25.113 3.618 870 HA GLU 113 HA GLU 113 17.313 23.883 5.360 871 HB2 GLU 113 1HB GLU 113 18.748 23.854 3.373 872 HB3 GLU 113 2HB GLU 113 17.207 23.066 3.062 873 HG2 GLU 113 1HG GLU 113 16.430 24.856 1.760 874 HG3 GLU 113 2HG GLU 113 17.700 25.933 2.336 875 H GLU 114 H GLU 114 16.293 26.943 4.152 876 HA GLU 114 HA GLU 114 18.800 28.218 4.977 877 HB2 GLU 114 1HB GLU 114 18.047 30.174 3.798 878 HB3 GLU 114 2HB GLU 114 17.836 28.779 2.750 879 HG2 GLU 114 1HG GLU 114 15.559 28.877 2.834 880 HG3 GLU 114 2HG GLU 114 15.540 29.641 4.423 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -9.100 -17.828 18.207 2 HA2 GLY 1 1HA GLY 1 -10.629 -17.082 16.299 3 HA3 GLY 1 2HA GLY 1 -9.041 -16.328 16.335 4 H SER 2 H SER 2 -11.215 -17.863 14.395 5 HA SER 2 HA SER 2 -9.545 -19.494 12.790 6 HB2 SER 2 1HB SER 2 -11.390 -19.360 11.133 7 HB3 SER 2 2HB SER 2 -11.966 -19.761 12.751 8 HG SER 2 HG SER 2 -12.822 -17.776 12.956 9 H SER 3 H SER 3 -7.673 -18.314 12.332 10 HA SER 3 HA SER 3 -7.653 -15.738 11.182 11 HB2 SER 3 1HB SER 3 -5.297 -16.249 10.601 12 HB3 SER 3 2HB SER 3 -5.675 -16.656 12.275 13 HG SER 3 HG SER 3 -5.740 -18.530 10.149 14 H GLY 4 H GLY 4 -9.356 -16.013 9.571 15 HA2 GLY 4 1HA GLY 4 -8.507 -16.026 6.979 16 HA3 GLY 4 2HA GLY 4 -8.887 -17.712 7.299 17 H SER 5 H SER 5 -10.096 -14.912 6.081 18 HA SER 5 HA SER 5 -12.840 -15.323 6.972 19 HB2 SER 5 1HB SER 5 -11.929 -13.019 6.789 20 HB3 SER 5 2HB SER 5 -11.730 -13.259 5.053 21 HG SER 5 HG SER 5 -13.772 -12.230 5.997 22 H SER 6 H SER 6 -12.825 -17.491 5.928 23 HA SER 6 HA SER 6 -13.304 -18.938 4.225 24 HB2 SER 6 1HB SER 6 -15.013 -16.538 3.573 25 HB3 SER 6 2HB SER 6 -15.122 -18.046 2.664 26 HG SER 6 HG SER 6 -16.243 -17.438 5.000 27 H GLY 7 H GLY 7 -10.874 -18.036 3.736 28 HA2 GLY 7 1HA GLY 7 -9.420 -18.161 1.915 29 HA3 GLY 7 2HA GLY 7 -10.791 -17.945 0.837 30 H LEU 8 H LEU 8 -11.826 -15.566 1.947 31 HA LEU 8 HA LEU 8 -10.345 -13.640 0.565 32 HB2 LEU 8 1HB LEU 8 -12.314 -13.196 2.804 33 HB3 LEU 8 2HB LEU 8 -11.797 -11.997 1.621 34 HG LEU 8 HG LEU 8 -13.122 -14.502 0.678 35 HD11 LEU 8 1HD1 LEU 8 -14.343 -12.447 2.362 36 HD12 LEU 8 2HD1 LEU 8 -14.907 -14.066 1.952 37 HD13 LEU 8 3HD1 LEU 8 -15.186 -12.727 0.839 38 HD21 LEU 8 3HD2 LEU 8 -14.075 -12.495 -0.818 39 HD22 LEU 8 1HD2 LEU 8 -12.561 -13.327 -1.173 40 HD23 LEU 8 2HD2 LEU 8 -12.539 -11.782 -0.323 41 HA PRO 9 HA PRO 9 -7.105 -12.576 3.350 42 HB2 PRO 9 1HB PRO 9 -6.559 -10.080 2.432 43 HB3 PRO 9 2HB PRO 9 -6.106 -11.547 1.555 44 HG2 PRO 9 1HG PRO 9 -8.447 -9.731 1.127 45 HG3 PRO 9 2HG PRO 9 -7.376 -10.477 -0.073 46 HD2 PRO 9 1HD PRO 9 -9.832 -11.463 0.500 47 HD3 PRO 9 2HD PRO 9 -8.474 -12.502 0.020 48 H GLN 10 H GLN 10 -6.506 -10.949 4.971 49 HA GLN 10 HA GLN 10 -8.651 -9.168 5.833 50 HB2 GLN 10 1HB GLN 10 -7.501 -11.388 7.524 51 HB3 GLN 10 2HB GLN 10 -8.398 -10.031 8.192 52 HG2 GLN 10 1HG GLN 10 -10.245 -10.737 6.533 53 HG3 GLN 10 2HG GLN 10 -9.369 -12.265 6.464 54 HE21 GLN 10 1HE2 GLN 10 -11.153 -10.074 8.514 55 HE22 GLN 10 2HE2 GLN 10 -11.500 -11.214 9.764 56 H VAL 11 H VAL 11 -7.940 -7.343 6.822 57 HA VAL 11 HA VAL 11 -5.047 -7.159 7.366 58 HB VAL 11 HB VAL 11 -6.845 -5.001 6.251 59 HG11 VAL 11 1HG1 VAL 11 -5.370 -3.529 7.015 60 HG12 VAL 11 2HG1 VAL 11 -4.402 -4.827 7.718 61 HG13 VAL 11 3HG1 VAL 11 -4.116 -4.312 6.055 62 HG21 VAL 11 3HG2 VAL 11 -6.174 -6.803 4.661 63 HG22 VAL 11 1HG2 VAL 11 -5.584 -5.199 4.224 64 HG23 VAL 11 2HG2 VAL 11 -4.491 -6.371 4.959 65 H GLU 12 H GLU 12 -5.162 -7.467 9.567 66 HA GLU 12 HA GLU 12 -7.060 -6.271 11.272 67 HB2 GLU 12 1HB GLU 12 -5.432 -8.244 11.709 68 HB3 GLU 12 2HB GLU 12 -4.285 -6.993 12.167 69 HG2 GLU 12 1HG GLU 12 -5.775 -6.209 13.900 70 HG3 GLU 12 2HG GLU 12 -7.000 -7.378 13.407 71 H ALA 13 H ALA 13 -3.595 -5.473 10.951 72 HA ALA 13 HA ALA 13 -4.254 -2.636 11.179 73 HB1 ALA 13 3HB ALA 13 -3.617 -2.487 13.299 74 HB2 ALA 13 1HB ALA 13 -3.145 -4.186 13.322 75 HB3 ALA 13 2HB ALA 13 -1.991 -2.957 12.803 76 H TYR 14 H TYR 14 -2.162 -1.300 10.940 77 HA TYR 14 HA TYR 14 -0.119 -2.599 9.331 78 HB2 TYR 14 1HB TYR 14 -0.386 -0.872 7.516 79 HB3 TYR 14 2HB TYR 14 -1.682 -2.060 7.603 80 HD1 TYR 14 1HD TYR 14 -0.816 1.359 8.830 81 HD2 TYR 14 2HD TYR 14 -3.878 -1.323 7.594 82 HE1 TYR 14 1HE TYR 14 -2.463 3.180 8.982 83 HE2 TYR 14 2HE TYR 14 -5.534 0.490 7.741 84 HH TYR 14 HH TYR 14 -4.692 3.646 9.042 85 H SER 15 H SER 15 1.833 -1.572 9.398 86 HA SER 15 HA SER 15 2.005 1.123 10.494 87 HB2 SER 15 1HB SER 15 3.724 0.383 12.166 88 HB3 SER 15 2HB SER 15 2.095 -0.198 12.509 89 HG SER 15 HG SER 15 2.806 -2.158 11.327 90 HA PRO 16 HA PRO 16 3.814 2.300 11.379 91 HB2 PRO 16 1HB PRO 16 4.632 4.598 10.186 92 HB3 PRO 16 2HB PRO 16 5.745 3.479 10.982 93 HG2 PRO 16 1HG PRO 16 5.121 3.777 8.070 94 HG3 PRO 16 2HG PRO 16 6.693 3.551 8.860 95 HD2 PRO 16 1HD PRO 16 5.358 1.521 7.663 96 HD3 PRO 16 2HD PRO 16 6.394 1.277 9.084 97 H SER 17 H SER 17 2.090 3.665 11.742 98 HA SER 17 HA SER 17 -0.200 3.491 10.322 99 HB2 SER 17 1HB SER 17 -0.923 5.616 11.381 100 HB3 SER 17 2HB SER 17 -0.120 4.537 12.522 101 HG SER 17 HG SER 17 0.522 7.033 11.901 102 H ALA 18 H ALA 18 2.475 5.655 9.666 103 HA ALA 18 HA ALA 18 1.294 6.263 7.062 104 HB1 ALA 18 3HB ALA 18 2.162 8.329 9.066 105 HB2 ALA 18 1HB ALA 18 2.007 8.672 7.343 106 HB3 ALA 18 2HB ALA 18 0.595 8.167 8.273 107 H CYS 19 H CYS 19 2.958 7.520 5.694 108 HA CYS 19 HA CYS 19 5.720 6.905 6.365 109 HB2 CYS 19 1HB CYS 19 4.157 5.518 4.247 110 HB3 CYS 19 2HB CYS 19 5.815 5.965 3.865 111 HG CYS 19 HG CYS 19 7.032 4.211 5.375 112 H SER 20 H SER 20 7.172 7.643 4.443 113 HA SER 20 HA SER 20 6.362 10.368 3.838 114 HB2 SER 20 1HB SER 20 8.972 8.874 3.591 115 HB3 SER 20 2HB SER 20 8.755 10.498 2.938 116 HG SER 20 HG SER 20 8.762 11.298 4.899 117 H VAL 21 H VAL 21 6.181 11.241 1.791 118 HA VAL 21 HA VAL 21 5.039 9.734 -0.215 119 HB VAL 21 HB VAL 21 5.659 11.635 -1.760 120 HG11 VAL 21 1HG1 VAL 21 4.185 13.233 -0.658 121 HG12 VAL 21 2HG1 VAL 21 3.567 11.589 -0.488 122 HG13 VAL 21 3HG1 VAL 21 4.377 12.373 0.869 123 HG21 VAL 21 3HG2 VAL 21 7.654 12.516 -0.997 124 HG22 VAL 21 1HG2 VAL 21 6.485 13.680 -0.373 125 HG23 VAL 21 2HG2 VAL 21 7.159 12.448 0.694 126 H ARG 22 H ARG 22 8.437 10.647 0.182 127 HA ARG 22 HA ARG 22 9.435 9.719 -2.240 128 HB2 ARG 22 1HB ARG 22 10.658 9.931 0.502 129 HB3 ARG 22 2HB ARG 22 11.579 9.324 -0.868 130 HG2 ARG 22 1HG ARG 22 11.271 11.411 -2.047 131 HG3 ARG 22 2HG ARG 22 10.245 12.021 -0.747 132 HD2 ARG 22 1HD ARG 22 12.006 12.369 0.666 133 HD3 ARG 22 2HD ARG 22 12.967 11.069 -0.039 134 HE ARG 22 HE ARG 22 12.946 13.827 -0.826 135 HH11 ARG 22 1HH1 ARG 22 13.536 10.566 -1.892 136 HH12 ARG 22 2HH1 ARG 22 14.613 11.037 -3.164 137 HH21 ARG 22 1HH2 ARG 22 14.364 14.460 -2.497 138 HH22 ARG 22 2HH2 ARG 22 15.085 13.253 -3.506 139 H GLY 23 H GLY 23 8.231 7.962 0.462 140 HA2 GLY 23 1HA GLY 23 7.944 5.713 0.822 141 HA3 GLY 23 2HA GLY 23 8.243 5.498 -0.896 142 H GLY 24 H GLY 24 9.326 3.517 -0.318 143 HA2 GLY 24 1HA GLY 24 11.353 2.395 -0.263 144 HA3 GLY 24 2HA GLY 24 12.158 3.932 0.023 145 H GLU 25 H GLU 25 9.515 2.882 2.034 146 HA GLU 25 HA GLU 25 11.432 2.483 4.234 147 HB2 GLU 25 1HB GLU 25 8.606 3.536 4.230 148 HB3 GLU 25 2HB GLU 25 9.426 3.034 5.701 149 HG2 GLU 25 1HG GLU 25 9.534 5.449 5.365 150 HG3 GLU 25 2HG GLU 25 11.134 4.710 5.364 151 H GLU 26 H GLU 26 10.420 1.094 6.052 152 HA GLU 26 HA GLU 26 9.624 -1.420 4.820 153 HB2 GLU 26 1HB GLU 26 11.472 -1.100 6.615 154 HB3 GLU 26 2HB GLU 26 10.134 -1.030 7.754 155 HG2 GLU 26 1HG GLU 26 9.393 -3.244 6.994 156 HG3 GLU 26 2HG GLU 26 10.774 -3.314 5.901 157 H LEU 27 H LEU 27 7.558 -1.946 4.650 158 HA LEU 27 HA LEU 27 5.674 -0.936 6.679 159 HB2 LEU 27 1HB LEU 27 5.328 0.059 4.465 160 HB3 LEU 27 2HB LEU 27 5.139 -1.552 3.776 161 HG LEU 27 HG LEU 27 3.117 -1.851 5.205 162 HD11 LEU 27 1HD1 LEU 27 2.721 -0.436 6.862 163 HD12 LEU 27 2HD1 LEU 27 2.477 0.853 5.684 164 HD13 LEU 27 3HD1 LEU 27 4.080 0.572 6.362 165 HD21 LEU 27 3HD2 LEU 27 2.668 -1.320 2.977 166 HD22 LEU 27 1HD2 LEU 27 3.276 0.326 3.148 167 HD23 LEU 27 2HD2 LEU 27 1.742 -0.129 3.892 168 H VAL 28 H VAL 28 4.908 -2.476 7.951 169 HA VAL 28 HA VAL 28 4.755 -5.228 6.911 170 HB VAL 28 HB VAL 28 4.938 -4.296 9.779 171 HG11 VAL 28 1HG1 VAL 28 4.578 -6.406 10.484 172 HG12 VAL 28 2HG1 VAL 28 3.729 -6.561 8.945 173 HG13 VAL 28 3HG1 VAL 28 5.395 -7.122 9.096 174 HG21 VAL 28 3HG2 VAL 28 6.951 -4.546 7.873 175 HG22 VAL 28 1HG2 VAL 28 7.154 -4.442 9.622 176 HG23 VAL 28 2HG2 VAL 28 7.059 -6.019 8.838 177 H LEU 29 H LEU 29 2.749 -5.637 6.229 178 HA LEU 29 HA LEU 29 0.451 -4.406 7.484 179 HB2 LEU 29 1HB LEU 29 0.536 -6.480 5.300 180 HB3 LEU 29 2HB LEU 29 -0.842 -5.480 5.755 181 HG LEU 29 HG LEU 29 1.704 -4.278 4.706 182 HD11 LEU 29 1HD1 LEU 29 -0.647 -4.800 2.943 183 HD12 LEU 29 2HD1 LEU 29 0.565 -6.059 3.185 184 HD13 LEU 29 3HD1 LEU 29 1.037 -4.497 2.514 185 HD21 LEU 29 3HD2 LEU 29 -0.094 -2.928 5.901 186 HD22 LEU 29 1HD2 LEU 29 -1.114 -3.258 4.500 187 HD23 LEU 29 2HD2 LEU 29 0.397 -2.370 4.301 188 H THR 30 H THR 30 -0.658 -5.254 9.108 189 HA THR 30 HA THR 30 -0.146 -8.024 9.888 190 HB THR 30 HB THR 30 -1.750 -5.983 11.428 191 HG1 THR 30 1HG THR 30 0.280 -5.685 12.583 192 HG21 THR 30 3HG2 THR 30 -1.068 -7.399 13.352 193 HG22 THR 30 1HG2 THR 30 -0.328 -8.528 12.217 194 HG23 THR 30 2HG2 THR 30 -2.071 -8.255 12.181 195 H GLY 31 H GLY 31 -1.641 -9.611 9.816 196 HA2 GLY 31 1HA GLY 31 -4.408 -9.332 9.908 197 HA3 GLY 31 2HA GLY 31 -3.954 -9.280 8.211 198 H SER 32 H SER 32 -4.810 -11.201 7.562 199 HA SER 32 HA SER 32 -3.346 -13.576 8.307 200 HB2 SER 32 1HB SER 32 -6.343 -13.512 8.728 201 HB3 SER 32 2HB SER 32 -5.267 -14.882 9.007 202 HG SER 32 HG SER 32 -5.328 -14.061 10.971 203 H ASN 33 H ASN 33 -4.344 -15.532 7.071 204 HA ASN 33 HA ASN 33 -4.581 -16.461 5.000 205 HB2 ASN 33 1HB ASN 33 -6.935 -15.459 5.694 206 HB3 ASN 33 2HB ASN 33 -6.639 -14.409 4.311 207 HD21 ASN 33 1HD2 ASN 33 -8.603 -16.579 4.794 208 HD22 ASN 33 2HD2 ASN 33 -8.413 -17.662 3.462 209 H PHE 34 H PHE 34 -2.415 -14.941 4.925 210 HA PHE 34 HA PHE 34 -2.628 -13.159 2.610 211 HB2 PHE 34 1HB PHE 34 -0.514 -13.562 4.715 212 HB3 PHE 34 2HB PHE 34 -0.177 -12.675 3.232 213 HD1 PHE 34 1HD PHE 34 -2.605 -11.154 2.796 214 HD2 PHE 34 2HD PHE 34 -0.557 -12.019 6.426 215 HE1 PHE 34 1HE PHE 34 -3.537 -9.112 3.805 216 HE2 PHE 34 2HE PHE 34 -1.487 -9.980 7.441 217 HZ PHE 34 HZ PHE 34 -2.979 -8.523 6.130 218 H LEU 35 H LEU 35 -0.597 -13.255 1.145 219 HA LEU 35 HA LEU 35 0.119 -16.058 0.616 220 HB2 LEU 35 1HB LEU 35 -0.908 -13.993 -1.304 221 HB3 LEU 35 2HB LEU 35 0.043 -15.373 -1.850 222 HG LEU 35 HG LEU 35 -2.393 -15.875 -0.209 223 HD11 LEU 35 1HD1 LEU 35 -3.201 -14.279 -1.825 224 HD12 LEU 35 2HD1 LEU 35 -3.755 -15.893 -2.266 225 HD13 LEU 35 3HD1 LEU 35 -2.410 -15.155 -3.136 226 HD21 LEU 35 3HD2 LEU 35 -1.055 -17.300 -2.506 227 HD22 LEU 35 1HD2 LEU 35 -2.494 -17.863 -1.656 228 HD23 LEU 35 2HD2 LEU 35 -0.957 -17.735 -0.799 229 HA PRO 36 HA PRO 36 4.275 -14.692 0.272 230 HB2 PRO 36 1HB PRO 36 5.246 -16.391 -1.609 231 HB3 PRO 36 2HB PRO 36 4.862 -16.901 0.039 232 HG2 PRO 36 1HG PRO 36 3.245 -17.202 -2.463 233 HG3 PRO 36 2HG PRO 36 3.525 -18.376 -1.164 234 HD2 PRO 36 1HD PRO 36 1.246 -16.926 -1.350 235 HD3 PRO 36 2HD PRO 36 1.934 -17.428 0.208 236 H ASP 37 H ASP 37 2.547 -15.117 -2.792 237 HA ASP 37 HA ASP 37 4.240 -13.047 -4.008 238 HB2 ASP 37 1HB ASP 37 2.371 -15.056 -5.283 239 HB3 ASP 37 2HB ASP 37 3.286 -13.836 -6.165 240 H SER 38 H SER 38 1.900 -12.722 -2.114 241 HA SER 38 HA SER 38 -0.404 -11.815 -3.254 242 HB2 SER 38 1HB SER 38 0.442 -11.811 -0.752 243 HB3 SER 38 2HB SER 38 0.821 -10.126 -1.108 244 HG SER 38 HG SER 38 -1.686 -11.421 -1.134 245 H LYS 39 H LYS 39 -1.165 -9.583 -3.644 246 HA LYS 39 HA LYS 39 0.924 -7.942 -4.921 247 HB2 LYS 39 1HB LYS 39 -1.777 -8.775 -5.884 248 HB3 LYS 39 2HB LYS 39 -1.171 -7.193 -6.356 249 HG2 LYS 39 1HG LYS 39 -0.539 -8.595 -8.101 250 HG3 LYS 39 2HG LYS 39 0.927 -8.430 -7.133 251 HD2 LYS 39 1HD LYS 39 0.778 -10.723 -7.623 252 HD3 LYS 39 2HD LYS 39 0.196 -10.575 -5.963 253 HE2 LYS 39 1HE LYS 39 -1.448 -11.901 -6.825 254 HE3 LYS 39 2HE LYS 39 -2.134 -10.317 -7.185 255 HZ1 LYS 39 3HZ LYS 39 -2.301 -11.180 -9.237 256 HZ2 LYS 39 1HZ LYS 39 -1.091 -12.335 -8.987 257 HZ3 LYS 39 2HZ LYS 39 -0.673 -10.742 -9.369 258 H VAL 40 H VAL 40 1.121 -5.950 -4.145 259 HA VAL 40 HA VAL 40 -1.145 -4.802 -2.647 260 HB VAL 40 HB VAL 40 1.799 -4.294 -2.192 261 HG11 VAL 40 1HG1 VAL 40 -0.369 -2.670 -1.602 262 HG12 VAL 40 2HG1 VAL 40 -0.021 -3.501 -0.084 263 HG13 VAL 40 3HG1 VAL 40 1.242 -2.573 -0.893 264 HG21 VAL 40 3HG2 VAL 40 1.688 -6.265 -1.121 265 HG22 VAL 40 1HG2 VAL 40 0.820 -5.358 0.117 266 HG23 VAL 40 2HG2 VAL 40 -0.075 -6.267 -1.101 267 H VAL 41 H VAL 41 -2.087 -3.481 -4.112 268 HA VAL 41 HA VAL 41 -0.367 -1.566 -5.544 269 HB VAL 41 HB VAL 41 -2.031 -1.351 -7.215 270 HG11 VAL 41 1HG1 VAL 41 -0.791 -3.755 -6.694 271 HG12 VAL 41 2HG1 VAL 41 -2.472 -4.217 -6.970 272 HG13 VAL 41 3HG1 VAL 41 -1.593 -3.307 -8.199 273 HG21 VAL 41 3HG2 VAL 41 -4.240 -2.357 -7.078 274 HG22 VAL 41 1HG2 VAL 41 -3.859 -3.018 -5.488 275 HG23 VAL 41 2HG2 VAL 41 -3.975 -1.273 -5.712 276 H PHE 42 H PHE 42 -0.945 0.629 -5.609 277 HA PHE 42 HA PHE 42 -2.679 1.463 -3.385 278 HB2 PHE 42 1HB PHE 42 -0.300 2.773 -4.692 279 HB3 PHE 42 2HB PHE 42 -1.400 3.667 -3.648 280 HD1 PHE 42 2HD PHE 42 0.597 0.517 -3.647 281 HD2 PHE 42 1HD PHE 42 -0.890 3.823 -1.416 282 HE1 PHE 42 2HE PHE 42 1.849 -0.255 -1.675 283 HE2 PHE 42 1HE PHE 42 0.361 3.057 0.559 284 HZ PHE 42 HZ PHE 42 1.732 1.015 0.432 285 H ILE 43 H ILE 43 -3.740 3.639 -3.723 286 HA ILE 43 HA ILE 43 -4.504 4.113 -6.511 287 HB ILE 43 HB ILE 43 -6.876 4.261 -5.925 288 HG12 ILE 43 1HG1 ILE 43 -6.287 2.930 -3.299 289 HG13 ILE 43 2HG1 ILE 43 -6.266 4.686 -3.426 290 HG21 ILE 43 1HG2 ILE 43 -5.375 1.716 -5.554 291 HG22 ILE 43 2HG2 ILE 43 -7.118 1.726 -5.289 292 HG23 ILE 43 3HG2 ILE 43 -6.461 2.206 -6.854 293 HD11 ILE 43 3HD1 ILE 43 -8.629 3.182 -4.433 294 HD12 ILE 43 1HD1 ILE 43 -8.427 3.431 -2.699 295 HD13 ILE 43 2HD1 ILE 43 -8.525 4.819 -3.784 296 H GLU 44 H GLU 44 -5.459 6.196 -6.888 297 HA GLU 44 HA GLU 44 -5.288 8.129 -4.707 298 HB2 GLU 44 1HB GLU 44 -3.090 8.302 -5.619 299 HB3 GLU 44 2HB GLU 44 -3.702 8.290 -7.267 300 HG2 GLU 44 1HG GLU 44 -4.933 10.464 -6.522 301 HG3 GLU 44 2HG GLU 44 -3.701 10.493 -5.262 302 H ARG 45 H ARG 45 -6.899 9.565 -4.776 303 HA ARG 45 HA ARG 45 -8.753 9.462 -7.003 304 HB2 ARG 45 1HB ARG 45 -8.813 10.647 -4.250 305 HB3 ARG 45 2HB ARG 45 -9.983 11.169 -5.455 306 HG2 ARG 45 1HG ARG 45 -10.987 9.079 -5.571 307 HG3 ARG 45 2HG ARG 45 -9.590 8.263 -4.866 308 HD2 ARG 45 1HD ARG 45 -10.083 9.049 -2.710 309 HD3 ARG 45 2HD ARG 45 -11.192 10.277 -3.320 310 HE ARG 45 HE ARG 45 -11.831 7.594 -2.665 311 HH11 ARG 45 1HH1 ARG 45 -12.573 10.131 -4.929 312 HH12 ARG 45 2HH1 ARG 45 -14.174 9.554 -5.252 313 HH21 ARG 45 1HH2 ARG 45 -13.938 6.824 -3.081 314 HH22 ARG 45 2HH2 ARG 45 -14.950 7.673 -4.199 315 H GLY 46 H GLY 46 -9.161 11.069 -8.445 316 HA2 GLY 46 1HA GLY 46 -7.298 13.348 -8.390 317 HA3 GLY 46 2HA GLY 46 -8.071 12.703 -9.830 318 HA PRO 47 HA PRO 47 -10.391 16.429 -8.035 319 HB2 PRO 47 1HB PRO 47 -9.773 18.213 -9.986 320 HB3 PRO 47 2HB PRO 47 -8.796 18.008 -8.528 321 HG2 PRO 47 1HG PRO 47 -8.357 16.897 -11.273 322 HG3 PRO 47 2HG PRO 47 -7.182 17.615 -10.155 323 HD2 PRO 47 1HD PRO 47 -7.449 14.939 -10.468 324 HD3 PRO 47 2HD PRO 47 -6.982 15.678 -8.922 325 H ASP 48 H ASP 48 -10.341 14.418 -10.693 326 HA ASP 48 HA ASP 48 -12.528 15.676 -12.126 327 HB2 ASP 48 1HB ASP 48 -12.372 13.464 -13.465 328 HB3 ASP 48 2HB ASP 48 -11.049 14.620 -13.595 329 H GLY 49 H GLY 49 -11.984 12.858 -10.060 330 HA2 GLY 49 1HA GLY 49 -14.099 12.605 -8.584 331 HA3 GLY 49 2HA GLY 49 -14.865 12.275 -10.131 332 H LYS 50 H LYS 50 -12.556 10.853 -11.202 333 HA LYS 50 HA LYS 50 -12.939 8.334 -9.743 334 HB2 LYS 50 1HB LYS 50 -12.124 7.279 -11.872 335 HB3 LYS 50 2HB LYS 50 -13.642 8.156 -12.019 336 HG2 LYS 50 1HG LYS 50 -12.464 10.053 -12.994 337 HG3 LYS 50 2HG LYS 50 -10.932 9.192 -12.830 338 HD2 LYS 50 1HD LYS 50 -11.516 7.612 -14.456 339 HD3 LYS 50 2HD LYS 50 -13.232 8.016 -14.360 340 HE2 LYS 50 1HE LYS 50 -11.086 9.864 -15.397 341 HE3 LYS 50 2HE LYS 50 -12.120 8.861 -16.413 342 HZ1 LYS 50 3HZ LYS 50 -13.831 10.256 -16.175 343 HZ2 LYS 50 1HZ LYS 50 -12.678 11.386 -15.668 344 HZ3 LYS 50 2HZ LYS 50 -13.554 10.500 -14.524 345 H LEU 51 H LEU 51 -11.156 6.934 -9.372 346 HA LEU 51 HA LEU 51 -8.625 8.384 -9.062 347 HB2 LEU 51 1HB LEU 51 -8.069 6.388 -7.577 348 HB3 LEU 51 2HB LEU 51 -9.277 7.531 -6.996 349 HG LEU 51 HG LEU 51 -11.046 5.946 -7.742 350 HD11 LEU 51 1HD1 LEU 51 -9.859 3.516 -7.873 351 HD12 LEU 51 2HD1 LEU 51 -8.680 4.513 -8.726 352 HD13 LEU 51 3HD1 LEU 51 -10.354 4.462 -9.277 353 HD21 LEU 51 3HD2 LEU 51 -9.183 4.535 -5.868 354 HD22 LEU 51 1HD2 LEU 51 -10.942 4.652 -5.814 355 HD23 LEU 51 2HD2 LEU 51 -9.953 6.055 -5.410 356 H GLN 52 H GLN 52 -6.745 7.692 -9.970 357 HA GLN 52 HA GLN 52 -6.605 5.116 -11.292 358 HB2 GLN 52 1HB GLN 52 -5.736 6.379 -13.405 359 HB3 GLN 52 2HB GLN 52 -7.465 6.163 -13.166 360 HG2 GLN 52 1HG GLN 52 -7.674 8.418 -12.337 361 HG3 GLN 52 2HG GLN 52 -5.928 8.645 -12.435 362 HE21 GLN 52 1HE2 GLN 52 -5.247 9.688 -14.153 363 HE22 GLN 52 2HE2 GLN 52 -6.045 9.771 -15.683 364 H TRP 53 H TRP 53 -4.801 4.400 -10.347 365 HA TRP 53 HA TRP 53 -2.322 5.819 -10.840 366 HB2 TRP 53 1HB TRP 53 -3.156 6.717 -8.661 367 HB3 TRP 53 2HB TRP 53 -3.097 5.081 -8.011 368 HD1 TRP 53 HD TRP 53 -0.272 6.240 -10.285 369 HE1 TRP 53 1HE TRP 53 1.877 6.479 -8.888 370 HE3 TRP 53 3HE TRP 53 -2.262 5.608 -5.618 371 HZ2 TRP 53 2HZ TRP 53 2.629 6.408 -6.168 372 HZ3 TRP 53 3HZ TRP 53 -0.760 5.708 -3.672 373 HH2 TRP 53 HH TRP 53 1.635 6.099 -3.943 374 H GLU 54 H GLU 54 -1.233 4.255 -11.846 375 HA GLU 54 HA GLU 54 -1.417 1.507 -10.843 376 HB2 GLU 54 1HB GLU 54 -1.808 2.044 -13.287 377 HB3 GLU 54 2HB GLU 54 -0.098 2.439 -13.391 378 HG2 GLU 54 1HG GLU 54 0.547 0.217 -12.942 379 HG3 GLU 54 2HG GLU 54 -1.080 -0.229 -12.432 380 H GLU 55 H GLU 55 -0.023 1.365 -9.152 381 HA GLU 55 HA GLU 55 2.816 1.643 -9.789 382 HB2 GLU 55 1HB GLU 55 1.336 3.157 -7.700 383 HB3 GLU 55 2HB GLU 55 2.932 2.552 -7.279 384 HG2 GLU 55 1HG GLU 55 3.672 3.663 -9.493 385 HG3 GLU 55 2HG GLU 55 2.161 4.559 -9.351 386 H GLU 56 H GLU 56 3.859 -0.147 -9.240 387 HA GLU 56 HA GLU 56 2.639 -1.919 -7.235 388 HB2 GLU 56 1HB GLU 56 2.896 -2.845 -9.521 389 HB3 GLU 56 2HB GLU 56 4.633 -2.602 -9.402 390 HG2 GLU 56 1HG GLU 56 4.450 -4.818 -8.867 391 HG3 GLU 56 2HG GLU 56 4.416 -4.076 -7.268 392 H ALA 57 H ALA 57 3.723 -2.479 -5.435 393 HA ALA 57 HA ALA 57 6.378 -1.286 -5.046 394 HB1 ALA 57 3HB ALA 57 4.321 -0.855 -3.504 395 HB2 ALA 57 1HB ALA 57 4.754 -2.418 -2.811 396 HB3 ALA 57 2HB ALA 57 5.918 -1.093 -2.796 397 H THR 58 H THR 58 8.096 -2.479 -4.218 398 HA THR 58 HA THR 58 8.270 -5.166 -5.060 399 HB THR 58 HB THR 58 10.083 -3.667 -3.159 400 HG1 THR 58 1HG THR 58 11.175 -3.051 -4.961 401 HG21 THR 58 3HG2 THR 58 11.769 -5.356 -4.076 402 HG22 THR 58 1HG2 THR 58 10.370 -6.283 -4.616 403 HG23 THR 58 2HG2 THR 58 10.598 -5.949 -2.899 404 H VAL 59 H VAL 59 8.073 -7.072 -3.996 405 HA VAL 59 HA VAL 59 7.200 -6.942 -1.183 406 HB VAL 59 HB VAL 59 6.345 -8.817 -3.384 407 HG11 VAL 59 1HG1 VAL 59 6.686 -10.214 -1.487 408 HG12 VAL 59 2HG1 VAL 59 5.919 -9.044 -0.411 409 HG13 VAL 59 3HG1 VAL 59 4.953 -9.911 -1.605 410 HG21 VAL 59 3HG2 VAL 59 5.277 -6.504 -2.996 411 HG22 VAL 59 1HG2 VAL 59 4.215 -7.905 -3.142 412 HG23 VAL 59 2HG2 VAL 59 4.577 -7.234 -1.551 413 H ASN 60 H ASN 60 8.048 -8.381 0.278 414 HA ASN 60 HA ASN 60 10.354 -9.944 -0.673 415 HB2 ASN 60 1HB ASN 60 10.526 -8.001 1.102 416 HB3 ASN 60 2HB ASN 60 9.968 -9.250 2.212 417 HD21 ASN 60 1HD2 ASN 60 11.548 -10.206 3.244 418 HD22 ASN 60 2HD2 ASN 60 13.131 -10.524 2.628 419 H ARG 61 H ARG 61 9.214 -11.821 -1.195 420 HA ARG 61 HA ARG 61 7.347 -13.095 0.479 421 HB2 ARG 61 1HB ARG 61 8.276 -15.178 -0.911 422 HB3 ARG 61 2HB ARG 61 7.207 -13.974 -1.618 423 HG2 ARG 61 1HG ARG 61 10.087 -13.385 -1.790 424 HG3 ARG 61 2HG ARG 61 9.520 -14.768 -2.728 425 HD2 ARG 61 1HD ARG 61 7.616 -13.031 -3.388 426 HD3 ARG 61 2HD ARG 61 8.901 -11.881 -3.020 427 HE ARG 61 HE ARG 61 9.969 -13.838 -4.689 428 HH11 ARG 61 1HH1 ARG 61 7.565 -11.323 -4.806 429 HH12 ARG 61 2HH1 ARG 61 7.754 -11.041 -6.505 430 HH21 ARG 61 1HH2 ARG 61 10.227 -13.477 -6.927 431 HH22 ARG 61 2HH2 ARG 61 9.268 -12.268 -7.711 432 H LEU 62 H LEU 62 10.730 -12.805 0.716 433 HA LEU 62 HA LEU 62 11.295 -15.238 2.078 434 HB2 LEU 62 1HB LEU 62 12.753 -12.605 1.989 435 HB3 LEU 62 2HB LEU 62 13.380 -14.052 2.775 436 HG LEU 62 HG LEU 62 12.677 -14.009 -0.147 437 HD11 LEU 62 1HD1 LEU 62 14.605 -13.026 -0.735 438 HD12 LEU 62 2HD1 LEU 62 15.508 -13.772 0.582 439 HD13 LEU 62 3HD1 LEU 62 14.541 -12.329 0.884 440 HD21 LEU 62 3HD2 LEU 62 12.938 -16.191 0.940 441 HD22 LEU 62 1HD2 LEU 62 14.548 -15.721 1.487 442 HD23 LEU 62 2HD2 LEU 62 14.217 -15.889 -0.237 443 H GLN 63 H GLN 63 10.128 -12.104 3.057 444 HA GLN 63 HA GLN 63 10.342 -12.867 5.883 445 HB2 GLN 63 1HB GLN 63 10.022 -10.239 4.473 446 HB3 GLN 63 2HB GLN 63 9.563 -10.398 6.163 447 HG2 GLN 63 1HG GLN 63 11.859 -11.206 6.650 448 HG3 GLN 63 2HG GLN 63 12.286 -10.862 4.975 449 HE21 GLN 63 1HE2 GLN 63 10.464 -9.154 7.499 450 HE22 GLN 63 2HE2 GLN 63 11.340 -7.671 7.366 451 H SER 64 H SER 64 8.013 -11.595 3.521 452 HA SER 64 HA SER 64 5.742 -11.396 4.999 453 HB2 SER 64 1HB SER 64 4.521 -11.572 3.013 454 HB3 SER 64 2HB SER 64 6.120 -11.098 2.440 455 HG SER 64 HG SER 64 6.451 -13.490 2.261 456 H ASN 65 H ASN 65 4.394 -12.707 6.072 457 HA ASN 65 HA ASN 65 4.835 -15.611 5.837 458 HB2 ASN 65 1HB ASN 65 5.383 -14.274 8.050 459 HB3 ASN 65 2HB ASN 65 3.645 -14.409 8.302 460 HD21 ASN 65 1HD2 ASN 65 4.833 -15.576 10.192 461 HD22 ASN 65 2HD2 ASN 65 4.968 -17.289 10.005 462 H GLU 66 H GLU 66 2.830 -16.830 6.786 463 HA GLU 66 HA GLU 66 0.707 -16.504 5.035 464 HB2 GLU 66 1HB GLU 66 -0.437 -18.161 6.280 465 HB3 GLU 66 2HB GLU 66 1.273 -18.540 6.439 466 HG2 GLU 66 1HG GLU 66 -0.128 -16.900 8.509 467 HG3 GLU 66 2HG GLU 66 -0.236 -18.659 8.519 468 H VAL 67 H VAL 67 1.323 -14.972 8.093 469 HA VAL 67 HA VAL 67 -1.209 -13.490 7.814 470 HB VAL 67 HB VAL 67 -1.063 -13.223 10.363 471 HG11 VAL 67 1HG1 VAL 67 -1.734 -15.979 10.208 472 HG12 VAL 67 2HG1 VAL 67 -2.813 -14.583 10.249 473 HG13 VAL 67 3HG1 VAL 67 -2.232 -15.205 8.703 474 HG21 VAL 67 3HG2 VAL 67 1.311 -14.510 10.090 475 HG22 VAL 67 1HG2 VAL 67 0.382 -14.436 11.587 476 HG23 VAL 67 2HG2 VAL 67 0.249 -15.846 10.536 477 H THR 68 H THR 68 1.565 -12.918 6.906 478 HA THR 68 HA THR 68 1.709 -10.216 7.961 479 HB THR 68 HB THR 68 4.079 -12.088 8.127 480 HG1 THR 68 1HG THR 68 2.941 -12.401 9.957 481 HG21 THR 68 3HG2 THR 68 5.026 -9.962 9.315 482 HG22 THR 68 1HG2 THR 68 3.816 -9.117 8.351 483 HG23 THR 68 2HG2 THR 68 5.066 -10.074 7.556 484 H LEU 69 H LEU 69 2.419 -8.769 6.476 485 HA LEU 69 HA LEU 69 3.603 -9.820 3.996 486 HB2 LEU 69 1HB LEU 69 1.201 -8.126 4.380 487 HB3 LEU 69 2HB LEU 69 2.257 -7.735 3.024 488 HG LEU 69 HG LEU 69 0.959 -10.420 3.482 489 HD11 LEU 69 1HD1 LEU 69 -0.869 -9.657 2.489 490 HD12 LEU 69 2HD1 LEU 69 0.077 -9.036 1.137 491 HD13 LEU 69 3HD1 LEU 69 -0.193 -8.030 2.560 492 HD21 LEU 69 3HD2 LEU 69 1.937 -9.674 0.824 493 HD22 LEU 69 1HD2 LEU 69 2.085 -11.194 1.706 494 HD23 LEU 69 2HD2 LEU 69 3.201 -9.870 2.039 495 H THR 70 H THR 70 5.641 -9.098 4.104 496 HA THR 70 HA THR 70 6.149 -6.361 5.017 497 HB THR 70 HB THR 70 8.189 -8.495 4.376 498 HG1 THR 70 1HG THR 70 8.134 -8.273 6.922 499 HG21 THR 70 3HG2 THR 70 8.644 -5.873 4.603 500 HG22 THR 70 1HG2 THR 70 9.784 -7.084 5.189 501 HG23 THR 70 2HG2 THR 70 8.674 -6.301 6.314 502 H LEU 71 H LEU 71 6.313 -4.805 3.554 503 HA LEU 71 HA LEU 71 7.701 -5.324 1.042 504 HB2 LEU 71 1HB LEU 71 6.003 -4.573 -0.361 505 HB3 LEU 71 2HB LEU 71 5.183 -5.640 0.778 506 HG LEU 71 HG LEU 71 5.220 -2.648 1.102 507 HD11 LEU 71 1HD1 LEU 71 2.988 -4.224 -0.147 508 HD12 LEU 71 2HD1 LEU 71 4.233 -3.421 -1.103 509 HD13 LEU 71 3HD1 LEU 71 3.179 -2.473 -0.053 510 HD21 LEU 71 3HD2 LEU 71 4.452 -3.379 3.098 511 HD22 LEU 71 1HD2 LEU 71 3.953 -4.945 2.458 512 HD23 LEU 71 2HD2 LEU 71 2.936 -3.526 2.208 513 H THR 72 H THR 72 7.983 -3.206 -0.201 514 HA THR 72 HA THR 72 8.641 -1.098 1.742 515 HB THR 72 HB THR 72 9.785 -1.435 -1.034 516 HG1 THR 72 1HG THR 72 10.722 -3.095 -0.050 517 HG21 THR 72 3HG2 THR 72 9.823 0.744 0.659 518 HG22 THR 72 1HG2 THR 72 10.956 0.438 -0.657 519 HG23 THR 72 2HG2 THR 72 11.362 -0.052 0.988 520 H VAL 73 H VAL 73 7.061 0.376 1.802 521 HA VAL 73 HA VAL 73 5.045 0.969 0.163 522 HB VAL 73 HB VAL 73 6.763 3.113 1.421 523 HG11 VAL 73 1HG1 VAL 73 4.910 3.690 -0.301 524 HG12 VAL 73 2HG1 VAL 73 3.805 3.276 1.012 525 HG13 VAL 73 3HG1 VAL 73 4.980 4.574 1.223 526 HG21 VAL 73 3HG2 VAL 73 5.216 1.016 2.604 527 HG22 VAL 73 1HG2 VAL 73 6.166 2.277 3.390 528 HG23 VAL 73 2HG2 VAL 73 4.477 2.574 2.976 529 HA PRO 74 HA PRO 74 6.693 2.118 -3.771 530 HB2 PRO 74 1HB PRO 74 4.436 3.212 -4.810 531 HB3 PRO 74 2HB PRO 74 4.664 1.469 -4.630 532 HG2 PRO 74 1HG PRO 74 3.164 3.375 -2.875 533 HG3 PRO 74 2HG PRO 74 2.702 1.750 -3.413 534 HD2 PRO 74 1HD PRO 74 3.721 2.234 -0.952 535 HD3 PRO 74 2HD PRO 74 4.009 0.714 -1.823 536 H GLU 75 H GLU 75 6.874 4.062 -5.174 537 HA GLU 75 HA GLU 75 7.295 6.425 -3.516 538 HB2 GLU 75 1HB GLU 75 8.203 5.678 -6.293 539 HB3 GLU 75 2HB GLU 75 8.462 7.276 -5.607 540 HG2 GLU 75 1HG GLU 75 10.009 6.528 -4.090 541 HG3 GLU 75 2HG GLU 75 9.368 4.886 -4.082 542 H TYR 76 H TYR 76 5.745 7.896 -3.393 543 HA TYR 76 HA TYR 76 3.445 7.981 -4.953 544 HB2 TYR 76 1HB TYR 76 3.910 9.095 -2.687 545 HB3 TYR 76 2HB TYR 76 4.604 10.419 -3.616 546 HD1 TYR 76 1HD TYR 76 1.552 8.320 -4.121 547 HD2 TYR 76 2HD TYR 76 3.159 12.219 -3.558 548 HE1 TYR 76 1HE TYR 76 -0.693 9.282 -4.417 549 HE2 TYR 76 2HE TYR 76 0.919 13.191 -3.851 550 HH TYR 76 HH TYR 76 -1.594 11.642 -5.202 551 H SER 77 H SER 77 2.903 8.899 -6.843 552 HA SER 77 HA SER 77 4.784 9.573 -8.753 553 HB2 SER 77 1HB SER 77 2.350 8.988 -9.136 554 HB3 SER 77 2HB SER 77 1.962 10.655 -8.713 555 HG SER 77 HG SER 77 3.826 10.899 -10.466 556 H ASN 78 H ASN 78 2.628 11.865 -7.067 557 HA ASN 78 HA ASN 78 4.276 14.095 -7.893 558 HB2 ASN 78 1HB ASN 78 1.651 13.962 -7.558 559 HB3 ASN 78 2HB ASN 78 2.068 14.396 -5.903 560 HD21 ASN 78 1HD2 ASN 78 0.571 15.951 -7.771 561 HD22 ASN 78 2HD2 ASN 78 1.445 17.419 -8.030 562 H LYS 79 H LYS 79 6.236 13.825 -6.846 563 HA LYS 79 HA LYS 79 6.274 13.599 -3.943 564 HB2 LYS 79 1HB LYS 79 8.353 13.451 -6.099 565 HB3 LYS 79 2HB LYS 79 8.837 13.722 -4.431 566 HG2 LYS 79 1HG LYS 79 7.412 11.638 -3.912 567 HG3 LYS 79 2HG LYS 79 7.525 11.326 -5.645 568 HD2 LYS 79 1HD LYS 79 10.097 11.779 -5.175 569 HD3 LYS 79 2HD LYS 79 9.635 11.257 -3.553 570 HE2 LYS 79 1HE LYS 79 8.875 9.156 -4.356 571 HE3 LYS 79 2HE LYS 79 8.974 9.686 -6.034 572 HZ1 LYS 79 3HZ LYS 79 11.256 9.236 -4.189 573 HZ2 LYS 79 1HZ LYS 79 11.396 9.862 -5.755 574 HZ3 LYS 79 2HZ LYS 79 10.834 8.284 -5.522 575 H ARG 80 H ARG 80 7.495 15.828 -6.437 576 HA ARG 80 HA ARG 80 8.723 17.766 -5.074 577 HB2 ARG 80 1HB ARG 80 7.760 19.430 -6.628 578 HB3 ARG 80 2HB ARG 80 8.287 17.968 -7.450 579 HG2 ARG 80 1HG ARG 80 5.917 17.184 -7.410 580 HG3 ARG 80 2HG ARG 80 5.467 18.772 -6.785 581 HD2 ARG 80 1HD ARG 80 7.109 18.597 -9.268 582 HD3 ARG 80 2HD ARG 80 5.381 18.261 -9.359 583 HE ARG 80 HE ARG 80 5.509 20.620 -8.021 584 HH11 ARG 80 1HH1 ARG 80 6.792 19.480 -11.050 585 HH12 ARG 80 2HH1 ARG 80 6.744 21.039 -11.806 586 HH21 ARG 80 1HH2 ARG 80 5.441 22.676 -9.004 587 HH22 ARG 80 2HH2 ARG 80 5.976 22.856 -10.641 588 H VAL 81 H VAL 81 5.258 17.162 -4.987 589 HA VAL 81 HA VAL 81 4.140 19.314 -3.852 590 HB VAL 81 HB VAL 81 2.645 17.890 -2.578 591 HG11 VAL 81 1HG1 VAL 81 3.181 17.643 -5.332 592 HG12 VAL 81 2HG1 VAL 81 2.819 16.022 -4.736 593 HG13 VAL 81 3HG1 VAL 81 1.664 17.332 -4.489 594 HG21 VAL 81 3HG2 VAL 81 3.047 15.473 -2.384 595 HG22 VAL 81 1HG2 VAL 81 4.634 15.688 -3.123 596 HG23 VAL 81 2HG2 VAL 81 4.286 16.416 -1.555 597 H SER 82 H SER 82 3.985 20.312 -1.862 598 HA SER 82 HA SER 82 6.097 19.599 0.064 599 HB2 SER 82 1HB SER 82 5.973 21.926 -1.198 600 HB3 SER 82 2HB SER 82 4.812 22.298 0.076 601 HG SER 82 HG SER 82 7.243 22.665 0.376 602 H ARG 83 H ARG 83 3.100 18.843 -0.265 603 HA ARG 83 HA ARG 83 2.449 19.236 2.573 604 HB2 ARG 83 1HB ARG 83 0.540 19.541 0.249 605 HB3 ARG 83 2HB ARG 83 0.055 19.492 1.939 606 HG2 ARG 83 1HG ARG 83 2.085 21.499 1.121 607 HG3 ARG 83 2HG ARG 83 0.402 21.767 0.662 608 HD2 ARG 83 1HD ARG 83 -0.311 21.783 2.912 609 HD3 ARG 83 2HD ARG 83 1.219 21.115 3.480 610 HE ARG 83 HE ARG 83 0.646 23.877 2.854 611 HH11 ARG 83 1HH1 ARG 83 3.100 21.462 3.365 612 HH12 ARG 83 2HH1 ARG 83 4.335 22.612 3.757 613 HH21 ARG 83 1HH2 ARG 83 2.263 25.402 3.368 614 HH22 ARG 83 2HH2 ARG 83 3.858 24.853 3.759 615 HA PRO 84 HA PRO 84 1.690 14.912 2.663 616 HB2 PRO 84 1HB PRO 84 -0.209 14.767 4.598 617 HB3 PRO 84 2HB PRO 84 1.488 15.123 4.942 618 HG2 PRO 84 1HG PRO 84 -0.829 17.003 4.695 619 HG3 PRO 84 2HG PRO 84 0.482 16.993 5.890 620 HD2 PRO 84 1HD PRO 84 0.463 18.666 3.761 621 HD3 PRO 84 2HD PRO 84 1.965 18.023 4.457 622 H VAL 85 H VAL 85 0.583 13.639 1.325 623 HA VAL 85 HA VAL 85 -2.121 14.460 0.510 624 HB VAL 85 HB VAL 85 -0.234 12.564 -0.895 625 HG11 VAL 85 1HG1 VAL 85 -1.996 13.346 -2.770 626 HG12 VAL 85 2HG1 VAL 85 -2.202 11.897 -1.785 627 HG13 VAL 85 3HG1 VAL 85 -3.031 13.390 -1.344 628 HG21 VAL 85 3HG2 VAL 85 -0.210 14.506 -2.584 629 HG22 VAL 85 1HG2 VAL 85 -0.777 15.493 -1.236 630 HG23 VAL 85 2HG2 VAL 85 0.772 14.656 -1.127 631 H GLN 86 H GLN 86 -3.809 12.965 0.444 632 HA GLN 86 HA GLN 86 -3.436 10.663 2.219 633 HB2 GLN 86 1HB GLN 86 -5.182 12.088 2.974 634 HB3 GLN 86 2HB GLN 86 -5.877 12.209 1.363 635 HG2 GLN 86 1HG GLN 86 -7.319 10.764 2.430 636 HG3 GLN 86 2HG GLN 86 -6.237 9.665 1.575 637 HE21 GLN 86 1HE2 GLN 86 -6.941 8.072 3.109 638 HE22 GLN 86 2HE2 GLN 86 -6.215 8.004 4.675 639 H VAL 87 H VAL 87 -3.322 8.689 1.397 640 HA VAL 87 HA VAL 87 -4.637 8.150 -1.183 641 HB VAL 87 HB VAL 87 -2.807 6.700 -1.844 642 HG11 VAL 87 1HG1 VAL 87 -2.271 9.549 -1.186 643 HG12 VAL 87 2HG1 VAL 87 -0.933 8.560 -1.775 644 HG13 VAL 87 3HG1 VAL 87 -2.387 8.753 -2.755 645 HG21 VAL 87 3HG2 VAL 87 -2.210 6.210 0.619 646 HG22 VAL 87 1HG2 VAL 87 -0.909 6.263 -0.571 647 HG23 VAL 87 2HG2 VAL 87 -1.186 7.640 0.495 648 H TYR 88 H TYR 88 -4.592 5.622 -1.536 649 HA TYR 88 HA TYR 88 -5.119 4.202 0.963 650 HB2 TYR 88 1HB TYR 88 -7.113 4.349 -1.308 651 HB3 TYR 88 2HB TYR 88 -7.272 3.353 0.134 652 HD1 TYR 88 2HD TYR 88 -7.311 6.803 -1.153 653 HD2 TYR 88 1HD TYR 88 -7.979 4.298 2.221 654 HE1 TYR 88 2HE TYR 88 -8.432 8.664 -0.000 655 HE2 TYR 88 1HE TYR 88 -9.103 6.152 3.383 656 HH TYR 88 HH TYR 88 -8.811 9.207 2.684 657 H PHE 89 H PHE 89 -4.855 1.980 0.843 658 HA PHE 89 HA PHE 89 -4.087 0.850 -1.751 659 HB2 PHE 89 1HB PHE 89 -2.153 -0.285 -0.695 660 HB3 PHE 89 2HB PHE 89 -1.994 1.468 -0.682 661 HD1 PHE 89 2HD PHE 89 -2.678 -1.499 1.379 662 HD2 PHE 89 1HD PHE 89 -1.922 2.690 1.357 663 HE1 PHE 89 2HE PHE 89 -2.317 -1.555 3.812 664 HE2 PHE 89 1HE PHE 89 -1.559 2.641 3.790 665 HZ PHE 89 HZ PHE 89 -1.757 0.517 5.021 666 H TYR 90 H TYR 90 -3.851 -1.590 -1.583 667 HA TYR 90 HA TYR 90 -5.232 -2.926 0.541 668 HB2 TYR 90 1HB TYR 90 -7.127 -3.740 -0.766 669 HB3 TYR 90 2HB TYR 90 -7.149 -1.982 -0.686 670 HD1 TYR 90 2HD TYR 90 -6.378 -0.665 -2.687 671 HD2 TYR 90 1HD TYR 90 -7.027 -4.867 -2.841 672 HE1 TYR 90 2HE TYR 90 -6.494 -0.551 -5.141 673 HE2 TYR 90 1HE TYR 90 -7.144 -4.765 -5.295 674 HH TYR 90 HH TYR 90 -7.798 -2.723 -7.024 675 H VAL 91 H VAL 91 -5.572 -5.299 -0.038 676 HA VAL 91 HA VAL 91 -3.250 -6.193 -1.604 677 HB VAL 91 HB VAL 91 -4.802 -7.688 0.514 678 HG11 VAL 91 1HG1 VAL 91 -3.447 -9.498 0.194 679 HG12 VAL 91 2HG1 VAL 91 -3.507 -8.882 -1.458 680 HG13 VAL 91 3HG1 VAL 91 -2.114 -8.530 -0.434 681 HG21 VAL 91 3HG2 VAL 91 -2.146 -7.303 1.310 682 HG22 VAL 91 1HG2 VAL 91 -2.692 -5.743 0.694 683 HG23 VAL 91 2HG2 VAL 91 -3.588 -6.544 1.985 684 H SER 92 H SER 92 -3.571 -7.182 -3.479 685 HA SER 92 HA SER 92 -6.265 -8.197 -4.084 686 HB2 SER 92 1HB SER 92 -5.413 -8.043 -6.502 687 HB3 SER 92 2HB SER 92 -5.722 -6.523 -5.663 688 HG SER 92 HG SER 92 -3.642 -6.789 -6.853 689 H ASN 93 H ASN 93 -6.438 -10.321 -3.847 690 HA ASN 93 HA ASN 93 -4.209 -12.016 -4.764 691 HB2 ASN 93 1HB ASN 93 -6.028 -12.435 -2.384 692 HB3 ASN 93 2HB ASN 93 -4.929 -13.660 -3.010 693 HD21 ASN 93 1HD2 ASN 93 -5.136 -12.020 -0.457 694 HD22 ASN 93 2HD2 ASN 93 -3.532 -11.420 -0.225 695 H GLY 94 H GLY 94 -4.934 -12.674 -6.717 696 HA2 GLY 94 1HA GLY 94 -6.109 -14.419 -7.862 697 HA3 GLY 94 2HA GLY 94 -7.437 -14.219 -6.728 698 H ARG 95 H ARG 95 -9.178 -13.476 -7.724 699 HA ARG 95 HA ARG 95 -8.826 -11.398 -9.785 700 HB2 ARG 95 1HB ARG 95 -10.701 -13.740 -9.656 701 HB3 ARG 95 2HB ARG 95 -11.116 -12.315 -10.599 702 HG2 ARG 95 1HG ARG 95 -8.687 -12.712 -11.577 703 HG3 ARG 95 2HG ARG 95 -9.033 -14.367 -11.072 704 HD2 ARG 95 1HD ARG 95 -9.729 -14.140 -13.342 705 HD3 ARG 95 2HD ARG 95 -11.179 -14.221 -12.342 706 HE ARG 95 HE ARG 95 -11.721 -12.121 -13.050 707 HH11 ARG 95 1HH1 ARG 95 -8.326 -12.648 -13.615 708 HH12 ARG 95 2HH1 ARG 95 -8.102 -11.155 -14.464 709 HH21 ARG 95 1HH2 ARG 95 -11.439 -10.152 -14.166 710 HH22 ARG 95 2HH2 ARG 95 -9.873 -9.736 -14.777 711 H ARG 96 H ARG 96 -11.314 -12.713 -7.588 712 HA ARG 96 HA ARG 96 -12.290 -9.967 -7.189 713 HB2 ARG 96 1HB ARG 96 -13.609 -12.648 -7.123 714 HB3 ARG 96 2HB ARG 96 -14.273 -11.354 -6.135 715 HG2 ARG 96 1HG ARG 96 -14.783 -10.036 -8.004 716 HG3 ARG 96 2HG ARG 96 -13.753 -10.998 -9.066 717 HD2 ARG 96 1HD ARG 96 -15.303 -12.935 -8.617 718 HD3 ARG 96 2HD ARG 96 -16.383 -11.785 -7.830 719 HE ARG 96 HE ARG 96 -16.963 -10.948 -9.896 720 HH11 ARG 96 1HH1 ARG 96 -14.232 -13.085 -10.206 721 HH12 ARG 96 2HH1 ARG 96 -14.304 -13.138 -11.936 722 HH21 ARG 96 1HH2 ARG 96 -17.068 -11.009 -12.173 723 HH22 ARG 96 2HH2 ARG 96 -15.917 -11.956 -13.054 724 H LYS 97 H LYS 97 -10.771 -12.632 -5.652 725 HA LYS 97 HA LYS 97 -11.484 -11.944 -2.962 726 HB2 LYS 97 1HB LYS 97 -9.400 -13.773 -4.147 727 HB3 LYS 97 2HB LYS 97 -9.555 -13.523 -2.413 728 HG2 LYS 97 1HG LYS 97 -10.852 -15.366 -2.615 729 HG3 LYS 97 2HG LYS 97 -12.083 -14.142 -2.938 730 HD2 LYS 97 1HD LYS 97 -12.447 -15.513 -4.725 731 HD3 LYS 97 2HD LYS 97 -11.214 -14.461 -5.423 732 HE2 LYS 97 1HE LYS 97 -9.546 -16.207 -4.492 733 HE3 LYS 97 2HE LYS 97 -10.953 -17.264 -4.400 734 HZ1 LYS 97 3HZ LYS 97 -11.324 -16.775 -6.797 735 HZ2 LYS 97 1HZ LYS 97 -9.900 -17.631 -6.478 736 HZ3 LYS 97 2HZ LYS 97 -9.832 -15.977 -6.825 737 H ARG 98 H ARG 98 -10.897 -9.953 -2.305 738 HA ARG 98 HA ARG 98 -8.051 -9.396 -2.099 739 HB2 ARG 98 1HB ARG 98 -8.502 -7.005 -2.896 740 HB3 ARG 98 2HB ARG 98 -8.405 -8.259 -4.125 741 HG2 ARG 98 1HG ARG 98 -10.260 -7.151 -4.836 742 HG3 ARG 98 2HG ARG 98 -11.012 -8.340 -3.770 743 HD2 ARG 98 1HD ARG 98 -11.006 -6.674 -1.954 744 HD3 ARG 98 2HD ARG 98 -10.318 -5.491 -3.065 745 HE ARG 98 HE ARG 98 -12.589 -6.344 -4.308 746 HH11 ARG 98 1HH1 ARG 98 -11.861 -4.981 -1.189 747 HH12 ARG 98 2HH1 ARG 98 -13.401 -4.203 -1.023 748 HH21 ARG 98 1HH2 ARG 98 -14.620 -5.325 -4.103 749 HH22 ARG 98 2HH2 ARG 98 -14.970 -4.401 -2.681 750 H SER 99 H SER 99 -7.811 -7.162 -0.900 751 HA SER 99 HA SER 99 -9.654 -7.278 1.387 752 HB2 SER 99 1HB SER 99 -7.598 -7.580 2.358 753 HB3 SER 99 2HB SER 99 -6.752 -6.680 1.100 754 HG SER 99 HG SER 99 -7.456 -4.769 2.037 755 HA PRO 100 HA PRO 100 -11.250 -3.268 0.589 756 HB2 PRO 100 1HB PRO 100 -11.684 -2.370 3.114 757 HB3 PRO 100 2HB PRO 100 -12.678 -3.619 2.354 758 HG2 PRO 100 1HG PRO 100 -10.417 -3.915 4.294 759 HG3 PRO 100 2HG PRO 100 -11.976 -4.759 4.256 760 HD2 PRO 100 1HD PRO 100 -9.690 -5.881 3.335 761 HD3 PRO 100 2HD PRO 100 -11.280 -6.236 2.629 762 H THR 101 H THR 101 -10.606 -1.164 0.367 763 HA THR 101 HA THR 101 -7.920 -0.495 0.597 764 HB THR 101 HB THR 101 -8.732 1.912 0.368 765 HG1 THR 101 1HG THR 101 -11.260 0.828 -0.213 766 HG21 THR 101 3HG2 THR 101 -8.307 0.069 -1.486 767 HG22 THR 101 1HG2 THR 101 -8.958 1.655 -1.898 768 HG23 THR 101 2HG2 THR 101 -10.040 0.271 -1.743 769 H GLN 102 H GLN 102 -6.796 0.942 1.978 770 HA GLN 102 HA GLN 102 -8.025 1.292 4.632 771 HB2 GLN 102 1HB GLN 102 -5.163 0.576 3.977 772 HB3 GLN 102 2HB GLN 102 -5.739 0.996 5.584 773 HG2 GLN 102 1HG GLN 102 -6.609 -1.365 3.932 774 HG3 GLN 102 2HG GLN 102 -5.560 -1.399 5.348 775 HE21 GLN 102 1HE2 GLN 102 -8.528 -2.136 4.395 776 HE22 GLN 102 2HE2 GLN 102 -9.419 -1.860 5.849 777 H SER 103 H SER 103 -7.744 3.229 5.646 778 HA SER 103 HA SER 103 -7.132 5.486 4.052 779 HB2 SER 103 1HB SER 103 -8.656 5.253 6.175 780 HB3 SER 103 2HB SER 103 -7.170 5.629 7.048 781 HG SER 103 HG SER 103 -8.410 7.501 6.517 782 H PHE 104 H PHE 104 -5.205 6.241 3.518 783 HA PHE 104 HA PHE 104 -3.007 6.039 5.454 784 HB2 PHE 104 1HB PHE 104 -2.990 4.294 3.505 785 HB3 PHE 104 2HB PHE 104 -2.457 5.661 2.531 786 HD1 PHE 104 2HD PHE 104 -1.658 4.235 5.891 787 HD2 PHE 104 1HD PHE 104 -0.200 5.781 2.203 788 HE1 PHE 104 2HE PHE 104 0.652 3.873 6.656 789 HE2 PHE 104 1HE PHE 104 2.112 5.420 2.962 790 HZ PHE 104 HZ PHE 104 2.541 4.466 5.191 791 H ARG 105 H ARG 105 -1.191 7.523 4.929 792 HA ARG 105 HA ARG 105 -1.794 9.755 3.187 793 HB2 ARG 105 1HB ARG 105 -2.999 10.486 5.124 794 HB3 ARG 105 2HB ARG 105 -1.667 10.055 6.187 795 HG2 ARG 105 1HG ARG 105 -0.306 11.825 5.248 796 HG3 ARG 105 2HG ARG 105 -1.589 12.230 4.106 797 HD2 ARG 105 1HD ARG 105 -1.752 13.797 5.869 798 HD3 ARG 105 2HD ARG 105 -3.069 12.649 6.106 799 HE ARG 105 HE ARG 105 -0.761 11.877 7.568 800 HH11 ARG 105 1HH1 ARG 105 -3.423 14.120 7.579 801 HH12 ARG 105 2HH1 ARG 105 -3.436 14.299 9.302 802 HH21 ARG 105 1HH2 ARG 105 -0.768 12.103 9.838 803 HH22 ARG 105 2HH2 ARG 105 -1.924 13.152 10.586 804 H PHE 106 H PHE 106 0.024 10.553 2.336 805 HA PHE 106 HA PHE 106 2.570 9.581 3.385 806 HB2 PHE 106 1HB PHE 106 1.826 10.907 0.773 807 HB3 PHE 106 2HB PHE 106 3.477 10.489 1.217 808 HD1 PHE 106 1HD PHE 106 3.549 7.918 2.205 809 HD2 PHE 106 2HD PHE 106 0.872 9.467 -0.719 810 HE1 PHE 106 1HE PHE 106 3.215 5.649 1.313 811 HE2 PHE 106 2HE PHE 106 0.533 7.201 -1.615 812 HZ PHE 106 HZ PHE 106 1.705 5.288 -0.598 813 H LEU 107 H LEU 107 3.961 10.829 4.454 814 HA LEU 107 HA LEU 107 3.338 13.673 4.739 815 HB2 LEU 107 1HB LEU 107 5.347 12.044 6.279 816 HB3 LEU 107 2HB LEU 107 4.728 13.642 6.688 817 HG LEU 107 HG LEU 107 2.979 11.194 6.608 818 HD11 LEU 107 1HD1 LEU 107 3.370 11.824 9.259 819 HD12 LEU 107 2HD1 LEU 107 4.985 11.963 8.566 820 HD13 LEU 107 3HD1 LEU 107 4.082 10.458 8.399 821 HD21 LEU 107 3HD2 LEU 107 2.287 13.299 8.456 822 HD22 LEU 107 1HD2 LEU 107 1.331 12.580 7.160 823 HD23 LEU 107 2HD2 LEU 107 2.425 13.918 6.810 824 HA PRO 108 HA PRO 108 6.676 14.925 2.154 825 HB2 PRO 108 1HB PRO 108 7.049 17.430 3.132 826 HB3 PRO 108 2HB PRO 108 5.671 16.990 2.116 827 HG2 PRO 108 1HG PRO 108 5.819 17.262 5.094 828 HG3 PRO 108 2HG PRO 108 4.553 17.815 3.981 829 HD2 PRO 108 1HD PRO 108 4.317 15.551 5.447 830 HD3 PRO 108 2HD PRO 108 3.593 15.725 3.835 831 H VAL 109 H VAL 109 8.821 14.636 2.215 832 HA VAL 109 HA VAL 109 10.124 14.255 4.773 833 HB VAL 109 HB VAL 109 11.211 13.972 1.968 834 HG11 VAL 109 1HG1 VAL 109 12.686 12.436 3.803 835 HG12 VAL 109 2HG1 VAL 109 13.224 13.851 2.896 836 HG13 VAL 109 3HG1 VAL 109 12.532 14.045 4.507 837 HG21 VAL 109 3HG2 VAL 109 10.669 11.683 3.800 838 HG22 VAL 109 1HG2 VAL 109 9.327 12.416 2.922 839 HG23 VAL 109 2HG2 VAL 109 10.692 11.733 2.037 840 H ILE 110 H ILE 110 10.088 16.594 2.179 841 HA ILE 110 HA ILE 110 12.333 18.014 2.297 842 HB ILE 110 HB ILE 110 9.588 19.251 2.552 843 HG12 ILE 110 1HG1 ILE 110 11.239 18.698 0.078 844 HG13 ILE 110 2HG1 ILE 110 9.919 17.675 0.635 845 HG21 ILE 110 1HG2 ILE 110 11.629 20.711 3.037 846 HG22 ILE 110 2HG2 ILE 110 12.005 20.536 1.324 847 HG23 ILE 110 3HG2 ILE 110 10.488 21.285 1.821 848 HD11 ILE 110 3HD1 ILE 110 9.759 20.507 -0.349 849 HD12 ILE 110 1HD1 ILE 110 9.072 19.060 -1.086 850 HD13 ILE 110 2HD1 ILE 110 8.420 19.669 0.436 851 H CYS 111 H CYS 111 13.606 18.894 3.783 852 HA CYS 111 HA CYS 111 14.383 19.727 5.750 853 HB2 CYS 111 1HB CYS 111 11.582 20.765 5.667 854 HB3 CYS 111 2HB CYS 111 12.507 20.956 7.151 855 HG CYS 111 HG CYS 111 13.398 22.176 4.080 856 H LYS 112 H LYS 112 13.869 17.053 5.782 857 HA LYS 112 HA LYS 112 12.183 15.953 7.628 858 HB2 LYS 112 1HB LYS 112 13.649 14.604 6.232 859 HB3 LYS 112 2HB LYS 112 15.062 15.200 7.094 860 HG2 LYS 112 1HG LYS 112 14.597 13.952 8.986 861 HG3 LYS 112 2HG LYS 112 12.893 13.765 8.567 862 HD2 LYS 112 1HD LYS 112 13.531 12.307 6.693 863 HD3 LYS 112 2HD LYS 112 15.227 12.475 7.152 864 HE2 LYS 112 1HE LYS 112 13.117 11.411 9.016 865 HE3 LYS 112 2HE LYS 112 14.060 10.377 7.944 866 HZ1 LYS 112 3HZ LYS 112 15.575 10.322 9.545 867 HZ2 LYS 112 1HZ LYS 112 14.798 11.531 10.438 868 HZ3 LYS 112 2HZ LYS 112 15.904 11.951 9.230 869 H GLU 113 H GLU 113 11.818 16.340 9.703 870 HA GLU 113 HA GLU 113 14.039 17.353 11.355 871 HB2 GLU 113 1HB GLU 113 11.092 17.954 11.406 872 HB3 GLU 113 2HB GLU 113 12.107 18.245 12.812 873 HG2 GLU 113 1HG GLU 113 12.397 19.484 10.087 874 HG3 GLU 113 2HG GLU 113 11.862 20.279 11.566 875 H GLU 114 H GLU 114 11.217 15.233 11.271 876 HA GLU 114 HA GLU 114 12.393 13.713 13.497 877 HB2 GLU 114 1HB GLU 114 10.424 15.116 14.220 878 HB3 GLU 114 2HB GLU 114 9.427 14.150 13.141 879 HG2 GLU 114 1HG GLU 114 10.392 12.141 14.469 880 HG3 GLU 114 2HG GLU 114 10.775 13.361 15.682 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -8.577 -24.433 14.317 2 HA2 GLY 1 1HA GLY 1 -10.685 -24.680 12.865 3 HA3 GLY 1 2HA GLY 1 -11.435 -23.740 14.147 4 H SER 2 H SER 2 -11.928 -21.917 13.026 5 HA SER 2 HA SER 2 -9.791 -20.082 12.505 6 HB2 SER 2 1HB SER 2 -10.344 -19.706 10.113 7 HB3 SER 2 2HB SER 2 -9.690 -21.317 10.408 8 HG SER 2 HG SER 2 -12.441 -21.091 10.577 9 H SER 3 H SER 3 -10.480 -17.967 12.466 10 HA SER 3 HA SER 3 -12.672 -17.165 13.814 11 HB2 SER 3 1HB SER 3 -12.446 -14.973 12.788 12 HB3 SER 3 2HB SER 3 -10.843 -15.663 13.041 13 HG SER 3 HG SER 3 -12.302 -15.486 10.620 14 H GLY 4 H GLY 4 -12.535 -17.593 10.285 15 HA2 GLY 4 1HA GLY 4 -14.567 -18.749 9.372 16 HA3 GLY 4 2HA GLY 4 -15.490 -17.557 10.274 17 H SER 5 H SER 5 -13.977 -18.290 7.335 18 HA SER 5 HA SER 5 -14.991 -15.937 6.089 19 HB2 SER 5 1HB SER 5 -12.988 -14.828 5.477 20 HB3 SER 5 2HB SER 5 -12.819 -15.160 7.201 21 HG SER 5 HG SER 5 -10.980 -15.695 5.751 22 H SER 6 H SER 6 -14.245 -15.849 3.725 23 HA SER 6 HA SER 6 -14.142 -18.613 2.727 24 HB2 SER 6 1HB SER 6 -15.256 -16.073 1.537 25 HB3 SER 6 2HB SER 6 -15.014 -17.535 0.582 26 HG SER 6 HG SER 6 -16.274 -18.421 2.603 27 H GLY 7 H GLY 7 -11.730 -17.574 3.525 28 HA2 GLY 7 1HA GLY 7 -9.568 -17.486 2.733 29 HA3 GLY 7 2HA GLY 7 -10.203 -17.798 1.124 30 H LEU 8 H LEU 8 -11.511 -15.125 2.854 31 HA LEU 8 HA LEU 8 -10.470 -13.297 0.880 32 HB2 LEU 8 1HB LEU 8 -12.397 -13.089 3.157 33 HB3 LEU 8 2HB LEU 8 -11.758 -11.630 2.403 34 HG LEU 8 HG LEU 8 -13.017 -13.705 0.672 35 HD11 LEU 8 1HD1 LEU 8 -15.065 -13.487 1.494 36 HD12 LEU 8 2HD1 LEU 8 -14.935 -11.729 1.493 37 HD13 LEU 8 3HD1 LEU 8 -14.367 -12.654 2.883 38 HD21 LEU 8 3HD2 LEU 8 -12.934 -10.690 0.618 39 HD22 LEU 8 1HD2 LEU 8 -13.667 -11.724 -0.609 40 HD23 LEU 8 2HD2 LEU 8 -11.925 -11.777 -0.338 41 HA PRO 9 HA PRO 9 -6.980 -11.864 3.146 42 HB2 PRO 9 1HB PRO 9 -6.717 -9.403 2.032 43 HB3 PRO 9 2HB PRO 9 -6.290 -10.893 1.182 44 HG2 PRO 9 1HG PRO 9 -8.777 -9.238 0.974 45 HG3 PRO 9 2HG PRO 9 -7.826 -9.996 -0.317 46 HD2 PRO 9 1HD PRO 9 -10.119 -11.079 0.631 47 HD3 PRO 9 2HD PRO 9 -8.773 -12.069 0.030 48 H GLN 10 H GLN 10 -6.731 -10.982 5.105 49 HA GLN 10 HA GLN 10 -8.572 -8.831 5.918 50 HB2 GLN 10 1HB GLN 10 -8.581 -9.776 8.184 51 HB3 GLN 10 2HB GLN 10 -9.218 -10.916 7.006 52 HG2 GLN 10 1HG GLN 10 -6.741 -11.776 6.974 53 HG3 GLN 10 2HG GLN 10 -6.685 -11.006 8.558 54 HE21 GLN 10 1HE2 GLN 10 -8.489 -11.612 10.045 55 HE22 GLN 10 2HE2 GLN 10 -8.992 -13.265 10.047 56 H VAL 11 H VAL 11 -7.724 -7.144 7.064 57 HA VAL 11 HA VAL 11 -4.833 -7.234 7.626 58 HB VAL 11 HB VAL 11 -6.387 -4.911 6.480 59 HG11 VAL 11 1HG1 VAL 11 -3.828 -5.059 7.898 60 HG12 VAL 11 2HG1 VAL 11 -3.760 -4.208 6.353 61 HG13 VAL 11 3HG1 VAL 11 -4.886 -3.679 7.604 62 HG21 VAL 11 3HG2 VAL 11 -4.080 -5.625 4.974 63 HG22 VAL 11 1HG2 VAL 11 -5.043 -7.077 5.247 64 HG23 VAL 11 2HG2 VAL 11 -5.773 -5.665 4.483 65 H GLU 12 H GLU 12 -4.949 -7.502 9.812 66 HA GLU 12 HA GLU 12 -6.800 -6.272 11.525 67 HB2 GLU 12 1HB GLU 12 -5.151 -8.250 11.937 68 HB3 GLU 12 2HB GLU 12 -4.031 -6.987 12.430 69 HG2 GLU 12 1HG GLU 12 -5.081 -7.808 14.386 70 HG3 GLU 12 2HG GLU 12 -5.750 -6.209 14.064 71 H ALA 13 H ALA 13 -3.378 -5.441 10.953 72 HA ALA 13 HA ALA 13 -3.993 -2.623 11.204 73 HB1 ALA 13 3HB ALA 13 -2.677 -2.136 13.077 74 HB2 ALA 13 1HB ALA 13 -3.604 -3.560 13.549 75 HB3 ALA 13 2HB ALA 13 -1.915 -3.727 13.067 76 H TYR 14 H TYR 14 -1.730 -1.390 11.178 77 HA TYR 14 HA TYR 14 0.318 -2.726 9.655 78 HB2 TYR 14 1HB TYR 14 0.152 -1.193 7.707 79 HB3 TYR 14 2HB TYR 14 -1.238 -2.263 7.856 80 HD1 TYR 14 1HD TYR 14 -0.103 1.184 8.710 81 HD2 TYR 14 2HD TYR 14 -3.388 -1.373 7.828 82 HE1 TYR 14 1HE TYR 14 -1.600 3.134 8.661 83 HE2 TYR 14 2HE TYR 14 -4.894 0.571 7.775 84 HH TYR 14 HH TYR 14 -4.695 3.044 7.378 85 H SER 15 H SER 15 2.249 -1.565 9.559 86 HA SER 15 HA SER 15 2.352 1.142 10.589 87 HB2 SER 15 1HB SER 15 4.072 0.468 12.331 88 HB3 SER 15 2HB SER 15 2.408 0.005 12.687 89 HG SER 15 HG SER 15 4.398 -1.677 11.556 90 HA PRO 16 HA PRO 16 4.007 2.498 11.334 91 HB2 PRO 16 1HB PRO 16 4.743 4.689 9.910 92 HB3 PRO 16 2HB PRO 16 5.883 3.741 10.872 93 HG2 PRO 16 1HG PRO 16 5.369 3.664 7.924 94 HG3 PRO 16 2HG PRO 16 6.915 3.628 8.791 95 HD2 PRO 16 1HD PRO 16 5.753 1.395 7.793 96 HD3 PRO 16 2HD PRO 16 6.739 1.380 9.270 97 H SER 17 H SER 17 2.329 4.065 11.383 98 HA SER 17 HA SER 17 0.144 3.506 9.691 99 HB2 SER 17 1HB SER 17 0.026 4.375 12.063 100 HB3 SER 17 2HB SER 17 0.458 5.962 11.426 101 HG SER 17 HG SER 17 -1.790 5.757 11.575 102 H ALA 18 H ALA 18 2.668 5.905 9.581 103 HA ALA 18 HA ALA 18 1.695 6.760 6.959 104 HB1 ALA 18 3HB ALA 18 2.279 8.614 9.255 105 HB2 ALA 18 1HB ALA 18 2.231 9.146 7.574 106 HB3 ALA 18 2HB ALA 18 0.787 8.466 8.325 107 H CYS 19 H CYS 19 3.345 7.900 5.699 108 HA CYS 19 HA CYS 19 6.084 7.721 6.627 109 HB2 CYS 19 1HB CYS 19 5.231 5.472 5.515 110 HB3 CYS 19 2HB CYS 19 5.546 6.355 4.027 111 HG CYS 19 HG CYS 19 8.097 6.585 6.136 112 H SER 20 H SER 20 7.573 8.314 4.624 113 HA SER 20 HA SER 20 6.739 10.922 3.817 114 HB2 SER 20 1HB SER 20 9.190 9.253 3.442 115 HB3 SER 20 2HB SER 20 8.955 10.651 2.393 116 HG SER 20 HG SER 20 9.534 10.535 5.091 117 H VAL 21 H VAL 21 6.597 11.702 1.633 118 HA VAL 21 HA VAL 21 4.898 10.191 -0.002 119 HB VAL 21 HB VAL 21 5.481 11.924 -1.776 120 HG11 VAL 21 1HG1 VAL 21 4.672 13.231 0.791 121 HG12 VAL 21 2HG1 VAL 21 4.038 13.478 -0.837 122 HG13 VAL 21 3HG1 VAL 21 3.646 12.004 0.049 123 HG21 VAL 21 3HG2 VAL 21 7.269 13.213 -1.503 124 HG22 VAL 21 1HG2 VAL 21 6.608 13.829 0.012 125 HG23 VAL 21 2HG2 VAL 21 7.626 12.389 0.015 126 H ARG 22 H ARG 22 8.317 10.200 0.275 127 HA ARG 22 HA ARG 22 8.826 9.142 -2.360 128 HB2 ARG 22 1HB ARG 22 10.594 9.441 0.072 129 HB3 ARG 22 2HB ARG 22 11.151 8.838 -1.484 130 HG2 ARG 22 1HG ARG 22 10.395 11.010 -2.486 131 HG3 ARG 22 2HG ARG 22 10.124 11.588 -0.841 132 HD2 ARG 22 1HD ARG 22 12.265 12.347 -1.304 133 HD3 ARG 22 2HD ARG 22 12.564 10.846 -0.429 134 HE ARG 22 HE ARG 22 12.456 10.493 -3.272 135 HH11 ARG 22 1HH1 ARG 22 14.490 11.385 -0.592 136 HH12 ARG 22 2HH1 ARG 22 15.963 10.955 -1.397 137 HH21 ARG 22 1HH2 ARG 22 14.388 9.924 -4.343 138 HH22 ARG 22 2HH2 ARG 22 15.904 10.125 -3.531 139 H GLY 23 H GLY 23 8.497 7.899 0.918 140 HA2 GLY 23 1HA GLY 23 8.056 5.760 1.649 141 HA3 GLY 23 2HA GLY 23 7.849 5.288 -0.031 142 H GLY 24 H GLY 24 8.998 3.406 -0.013 143 HA2 GLY 24 1HA GLY 24 10.936 2.190 -0.370 144 HA3 GLY 24 2HA GLY 24 11.865 3.655 -0.089 145 H GLU 25 H GLU 25 9.516 2.161 2.091 146 HA GLU 25 HA GLU 25 11.728 1.538 3.932 147 HB2 GLU 25 1HB GLU 25 9.109 2.905 4.515 148 HB3 GLU 25 2HB GLU 25 10.035 2.104 5.776 149 HG2 GLU 25 1HG GLU 25 11.389 4.111 4.047 150 HG3 GLU 25 2HG GLU 25 10.307 4.663 5.324 151 H GLU 26 H GLU 26 10.945 0.032 5.737 152 HA GLU 26 HA GLU 26 9.704 -2.250 4.462 153 HB2 GLU 26 1HB GLU 26 11.762 -2.253 6.039 154 HB3 GLU 26 2HB GLU 26 10.578 -2.151 7.334 155 HG2 GLU 26 1HG GLU 26 9.510 -4.211 6.410 156 HG3 GLU 26 2HG GLU 26 10.872 -4.343 5.299 157 H LEU 27 H LEU 27 7.543 -2.173 4.332 158 HA LEU 27 HA LEU 27 6.005 -1.219 6.637 159 HB2 LEU 27 1HB LEU 27 5.462 -0.212 4.498 160 HB3 LEU 27 2HB LEU 27 5.172 -1.804 3.799 161 HG LEU 27 HG LEU 27 3.305 -2.020 5.545 162 HD11 LEU 27 1HD1 LEU 27 4.329 0.275 6.544 163 HD12 LEU 27 2HD1 LEU 27 2.670 -0.265 6.794 164 HD13 LEU 27 3HD1 LEU 27 3.034 0.905 5.526 165 HD21 LEU 27 3HD2 LEU 27 2.772 0.144 3.548 166 HD22 LEU 27 1HD2 LEU 27 1.757 -1.218 4.023 167 HD23 LEU 27 2HD2 LEU 27 3.177 -1.488 3.012 168 H VAL 28 H VAL 28 5.457 -2.731 8.057 169 HA VAL 28 HA VAL 28 5.056 -5.487 7.171 170 HB VAL 28 HB VAL 28 5.199 -4.336 9.961 171 HG11 VAL 28 1HG1 VAL 28 5.390 -7.247 9.302 172 HG12 VAL 28 2HG1 VAL 28 4.979 -6.470 10.832 173 HG13 VAL 28 3HG1 VAL 28 3.814 -6.483 9.508 174 HG21 VAL 28 3HG2 VAL 28 7.202 -5.450 8.091 175 HG22 VAL 28 1HG2 VAL 28 7.381 -4.237 9.358 176 HG23 VAL 28 2HG2 VAL 28 7.327 -5.948 9.778 177 H LEU 29 H LEU 29 3.074 -6.079 6.610 178 HA LEU 29 HA LEU 29 0.768 -4.682 7.741 179 HB2 LEU 29 1HB LEU 29 0.993 -6.630 5.452 180 HB3 LEU 29 2HB LEU 29 -0.509 -5.878 5.986 181 HG LEU 29 HG LEU 29 1.834 -4.245 5.052 182 HD11 LEU 29 1HD1 LEU 29 0.969 -6.017 3.373 183 HD12 LEU 29 2HD1 LEU 29 1.153 -4.345 2.846 184 HD13 LEU 29 3HD1 LEU 29 -0.444 -4.969 3.257 185 HD21 LEU 29 3HD2 LEU 29 0.007 -3.158 6.331 186 HD22 LEU 29 1HD2 LEU 29 -1.128 -3.681 5.086 187 HD23 LEU 29 2HD2 LEU 29 0.166 -2.553 4.681 188 H THR 30 H THR 30 -0.594 -5.585 9.157 189 HA THR 30 HA THR 30 -0.054 -8.341 9.999 190 HB THR 30 HB THR 30 -1.725 -6.256 11.414 191 HG1 THR 30 1HG THR 30 0.113 -5.459 12.068 192 HG21 THR 30 3HG2 THR 30 -1.543 -9.009 11.800 193 HG22 THR 30 1HG2 THR 30 -2.187 -7.825 12.936 194 HG23 THR 30 2HG2 THR 30 -0.495 -8.314 13.037 195 H GLY 31 H GLY 31 -1.546 -9.941 9.881 196 HA2 GLY 31 1HA GLY 31 -4.281 -9.791 9.822 197 HA3 GLY 31 2HA GLY 31 -3.799 -9.548 8.150 198 H SER 32 H SER 32 -4.977 -11.513 7.702 199 HA SER 32 HA SER 32 -3.249 -13.838 7.907 200 HB2 SER 32 1HB SER 32 -6.021 -13.736 9.095 201 HB3 SER 32 2HB SER 32 -5.253 -15.254 8.632 202 HG SER 32 HG SER 32 -3.629 -14.858 10.114 203 H ASN 33 H ASN 33 -4.462 -15.764 6.747 204 HA ASN 33 HA ASN 33 -5.168 -16.593 4.749 205 HB2 ASN 33 1HB ASN 33 -7.092 -14.383 5.317 206 HB3 ASN 33 2HB ASN 33 -7.131 -15.127 3.721 207 HD21 ASN 33 1HD2 ASN 33 -9.358 -15.518 4.779 208 HD22 ASN 33 2HD2 ASN 33 -9.541 -17.049 5.559 209 H PHE 34 H PHE 34 -2.862 -15.137 4.565 210 HA PHE 34 HA PHE 34 -3.152 -13.400 2.228 211 HB2 PHE 34 1HB PHE 34 -0.836 -13.925 4.095 212 HB3 PHE 34 2HB PHE 34 -0.698 -12.942 2.640 213 HD1 PHE 34 1HD PHE 34 -3.223 -11.454 2.676 214 HD2 PHE 34 2HD PHE 34 -0.568 -12.445 5.853 215 HE1 PHE 34 1HE PHE 34 -3.997 -9.486 3.933 216 HE2 PHE 34 2HE PHE 34 -1.339 -10.478 7.115 217 HZ PHE 34 HZ PHE 34 -3.056 -8.996 6.155 218 H LEU 35 H LEU 35 -1.591 -13.654 0.444 219 HA LEU 35 HA LEU 35 -1.168 -16.503 -0.138 220 HB2 LEU 35 1HB LEU 35 -1.737 -14.114 -1.834 221 HB3 LEU 35 2HB LEU 35 -0.896 -15.495 -2.534 222 HG LEU 35 HG LEU 35 -3.473 -15.962 -1.111 223 HD11 LEU 35 1HD1 LEU 35 -3.550 -15.273 -4.004 224 HD12 LEU 35 2HD1 LEU 35 -3.553 -13.965 -2.821 225 HD13 LEU 35 3HD1 LEU 35 -4.823 -15.188 -2.785 226 HD21 LEU 35 3HD2 LEU 35 -2.249 -17.879 -1.882 227 HD22 LEU 35 1HD2 LEU 35 -2.086 -17.181 -3.494 228 HD23 LEU 35 2HD2 LEU 35 -3.674 -17.671 -2.902 229 HA PRO 36 HA PRO 36 3.200 -16.067 -0.201 230 HB2 PRO 36 1HB PRO 36 3.878 -17.803 -2.175 231 HB3 PRO 36 2HB PRO 36 3.302 -18.329 -0.588 232 HG2 PRO 36 1HG PRO 36 1.798 -18.089 -3.165 233 HG3 PRO 36 2HG PRO 36 1.744 -19.384 -1.955 234 HD2 PRO 36 1HD PRO 36 -0.150 -17.456 -2.110 235 HD3 PRO 36 2HD PRO 36 0.326 -18.205 -0.573 236 H ASP 37 H ASP 37 1.397 -15.541 -3.141 237 HA ASP 37 HA ASP 37 3.588 -13.837 -4.133 238 HB2 ASP 37 1HB ASP 37 3.122 -15.958 -5.474 239 HB3 ASP 37 2HB ASP 37 1.582 -15.223 -5.909 240 H SER 38 H SER 38 1.259 -13.219 -2.413 241 HA SER 38 HA SER 38 -0.874 -12.017 -3.597 242 HB2 SER 38 1HB SER 38 0.729 -10.893 -1.287 243 HB3 SER 38 2HB SER 38 -0.929 -10.451 -1.693 244 HG SER 38 HG SER 38 -1.628 -12.275 -0.871 245 H LYS 39 H LYS 39 -1.315 -9.670 -3.947 246 HA LYS 39 HA LYS 39 0.999 -8.263 -5.093 247 HB2 LYS 39 1HB LYS 39 -1.686 -8.757 -6.370 248 HB3 LYS 39 2HB LYS 39 -0.625 -7.458 -6.898 249 HG2 LYS 39 1HG LYS 39 1.140 -9.373 -7.096 250 HG3 LYS 39 2HG LYS 39 -0.290 -10.407 -7.161 251 HD2 LYS 39 1HD LYS 39 -0.215 -7.995 -8.902 252 HD3 LYS 39 2HD LYS 39 0.785 -9.379 -9.350 253 HE2 LYS 39 1HE LYS 39 -1.326 -10.780 -9.063 254 HE3 LYS 39 2HE LYS 39 -2.202 -9.250 -9.036 255 HZ1 LYS 39 3HZ LYS 39 -1.785 -10.563 -11.260 256 HZ2 LYS 39 1HZ LYS 39 -0.326 -9.706 -11.233 257 HZ3 LYS 39 2HZ LYS 39 -1.797 -8.872 -11.225 258 H VAL 40 H VAL 40 1.214 -6.275 -4.314 259 HA VAL 40 HA VAL 40 -1.145 -4.978 -3.115 260 HB VAL 40 HB VAL 40 1.774 -4.646 -2.411 261 HG11 VAL 40 1HG1 VAL 40 0.416 -3.377 -0.445 262 HG12 VAL 40 2HG1 VAL 40 1.114 -2.566 -1.850 263 HG13 VAL 40 3HG1 VAL 40 -0.596 -3.000 -1.839 264 HG21 VAL 40 3HG2 VAL 40 -0.398 -6.302 -1.372 265 HG22 VAL 40 1HG2 VAL 40 1.346 -6.453 -1.159 266 HG23 VAL 40 2HG2 VAL 40 0.424 -5.352 -0.135 267 H VAL 41 H VAL 41 -1.853 -3.176 -4.042 268 HA VAL 41 HA VAL 41 0.027 -1.531 -5.591 269 HB VAL 41 HB VAL 41 -1.358 -1.346 -7.449 270 HG11 VAL 41 1HG1 VAL 41 -2.060 -4.165 -6.752 271 HG12 VAL 41 2HG1 VAL 41 -1.503 -3.494 -8.286 272 HG13 VAL 41 3HG1 VAL 41 -0.370 -3.701 -6.950 273 HG21 VAL 41 3HG2 VAL 41 -3.432 -0.843 -6.315 274 HG22 VAL 41 1HG2 VAL 41 -3.705 -2.118 -7.502 275 HG23 VAL 41 2HG2 VAL 41 -3.587 -2.519 -5.788 276 H PHE 42 H PHE 42 -0.519 0.683 -5.752 277 HA PHE 42 HA PHE 42 -2.373 1.574 -3.652 278 HB2 PHE 42 1HB PHE 42 0.114 2.796 -4.823 279 HB3 PHE 42 2HB PHE 42 -1.046 3.773 -3.929 280 HD1 PHE 42 2HD PHE 42 0.799 0.549 -3.566 281 HD2 PHE 42 1HD PHE 42 -0.670 4.076 -1.691 282 HE1 PHE 42 2HE PHE 42 1.856 -0.139 -1.454 283 HE2 PHE 42 1HE PHE 42 0.385 3.394 0.425 284 HZ PHE 42 HZ PHE 42 1.649 1.284 0.546 285 H ILE 43 H ILE 43 -3.324 3.811 -4.102 286 HA ILE 43 HA ILE 43 -3.920 4.262 -6.924 287 HB ILE 43 HB ILE 43 -6.341 4.399 -6.505 288 HG12 ILE 43 1HG1 ILE 43 -5.971 2.931 -3.922 289 HG13 ILE 43 2HG1 ILE 43 -5.859 4.687 -3.934 290 HG21 ILE 43 1HG2 ILE 43 -4.888 1.822 -6.060 291 HG22 ILE 43 2HG2 ILE 43 -6.650 1.866 -6.070 292 HG23 ILE 43 3HG2 ILE 43 -5.747 2.387 -7.492 293 HD11 ILE 43 3HD1 ILE 43 -8.116 3.605 -3.400 294 HD12 ILE 43 1HD1 ILE 43 -8.082 4.944 -4.547 295 HD13 ILE 43 2HD1 ILE 43 -8.213 3.285 -5.132 296 H GLU 44 H GLU 44 -4.986 6.326 -7.318 297 HA GLU 44 HA GLU 44 -4.852 8.240 -5.108 298 HB2 GLU 44 1HB GLU 44 -2.690 8.470 -6.127 299 HB3 GLU 44 2HB GLU 44 -3.395 8.517 -7.737 300 HG2 GLU 44 1HG GLU 44 -4.642 10.620 -6.750 301 HG3 GLU 44 2HG GLU 44 -3.255 10.633 -5.663 302 H ARG 45 H ARG 45 -6.651 9.400 -5.046 303 HA ARG 45 HA ARG 45 -8.471 9.369 -7.299 304 HB2 ARG 45 1HB ARG 45 -8.745 10.594 -4.548 305 HB3 ARG 45 2HB ARG 45 -10.024 10.514 -5.751 306 HG2 ARG 45 1HG ARG 45 -10.144 8.155 -5.602 307 HG3 ARG 45 2HG ARG 45 -8.653 8.074 -4.661 308 HD2 ARG 45 1HD ARG 45 -10.163 7.883 -2.967 309 HD3 ARG 45 2HD ARG 45 -10.034 9.640 -3.033 310 HE ARG 45 HE ARG 45 -12.106 8.573 -4.713 311 HH11 ARG 45 1HH1 ARG 45 -11.293 9.644 -1.502 312 HH12 ARG 45 2HH1 ARG 45 -12.929 10.020 -1.072 313 HH21 ARG 45 1HH2 ARG 45 -14.263 9.064 -4.160 314 HH22 ARG 45 2HH2 ARG 45 -14.618 9.688 -2.584 315 H GLY 46 H GLY 46 -8.973 11.053 -8.606 316 HA2 GLY 46 1HA GLY 46 -7.377 13.505 -8.239 317 HA3 GLY 46 2HA GLY 46 -7.970 12.908 -9.782 318 HA PRO 47 HA PRO 47 -10.856 16.129 -7.798 319 HB2 PRO 47 1HB PRO 47 -10.250 18.233 -9.403 320 HB3 PRO 47 2HB PRO 47 -9.418 17.919 -7.876 321 HG2 PRO 47 1HG PRO 47 -8.558 17.275 -10.670 322 HG3 PRO 47 2HG PRO 47 -7.604 17.938 -9.331 323 HD2 PRO 47 1HD PRO 47 -7.513 15.324 -10.028 324 HD3 PRO 47 2HD PRO 47 -7.306 15.872 -8.353 325 H ASP 48 H ASP 48 -10.314 14.504 -10.639 326 HA ASP 48 HA ASP 48 -12.400 15.748 -12.212 327 HB2 ASP 48 1HB ASP 48 -10.211 14.486 -13.003 328 HB3 ASP 48 2HB ASP 48 -11.261 13.075 -12.902 329 H GLY 49 H GLY 49 -11.954 12.818 -10.294 330 HA2 GLY 49 1HA GLY 49 -14.167 12.275 -9.124 331 HA3 GLY 49 2HA GLY 49 -14.782 12.133 -10.764 332 H LYS 50 H LYS 50 -12.070 10.997 -11.547 333 HA LYS 50 HA LYS 50 -12.546 8.278 -10.513 334 HB2 LYS 50 1HB LYS 50 -11.567 7.498 -12.691 335 HB3 LYS 50 2HB LYS 50 -13.115 8.320 -12.834 336 HG2 LYS 50 1HG LYS 50 -11.854 10.404 -13.413 337 HG3 LYS 50 2HG LYS 50 -10.391 9.419 -13.479 338 HD2 LYS 50 1HD LYS 50 -11.145 9.542 -15.703 339 HD3 LYS 50 2HD LYS 50 -11.652 7.949 -15.137 340 HE2 LYS 50 1HE LYS 50 -13.894 8.852 -14.676 341 HE3 LYS 50 2HE LYS 50 -13.377 10.420 -15.295 342 HZ1 LYS 50 3HZ LYS 50 -12.763 8.502 -17.223 343 HZ2 LYS 50 1HZ LYS 50 -13.914 9.739 -17.315 344 HZ3 LYS 50 2HZ LYS 50 -14.355 8.215 -16.729 345 H LEU 51 H LEU 51 -10.765 6.979 -10.032 346 HA LEU 51 HA LEU 51 -8.302 8.478 -9.516 347 HB2 LEU 51 1HB LEU 51 -7.750 6.443 -8.109 348 HB3 LEU 51 2HB LEU 51 -9.074 7.466 -7.554 349 HG LEU 51 HG LEU 51 -10.671 5.823 -8.524 350 HD11 LEU 51 1HD1 LEU 51 -8.147 4.608 -9.408 351 HD12 LEU 51 2HD1 LEU 51 -9.768 4.496 -10.094 352 HD13 LEU 51 3HD1 LEU 51 -9.321 3.487 -8.718 353 HD21 LEU 51 3HD2 LEU 51 -10.275 4.085 -6.784 354 HD22 LEU 51 1HD2 LEU 51 -10.221 5.739 -6.173 355 HD23 LEU 51 2HD2 LEU 51 -8.722 4.849 -6.441 356 H GLN 52 H GLN 52 -6.342 7.893 -10.335 357 HA GLN 52 HA GLN 52 -6.040 5.418 -11.812 358 HB2 GLN 52 1HB GLN 52 -5.733 8.097 -13.177 359 HB3 GLN 52 2HB GLN 52 -5.296 6.544 -13.876 360 HG2 GLN 52 1HG GLN 52 -7.741 5.897 -13.499 361 HG3 GLN 52 2HG GLN 52 -8.021 7.622 -13.261 362 HE21 GLN 52 1HE2 GLN 52 -7.608 9.051 -15.002 363 HE22 GLN 52 2HE2 GLN 52 -7.632 8.487 -16.635 364 H TRP 53 H TRP 53 -4.285 4.703 -10.769 365 HA TRP 53 HA TRP 53 -1.820 6.205 -11.038 366 HB2 TRP 53 1HB TRP 53 -2.872 6.939 -8.861 367 HB3 TRP 53 2HB TRP 53 -2.684 5.282 -8.294 368 HD1 TRP 53 HD TRP 53 0.076 6.904 -10.376 369 HE1 TRP 53 1HE TRP 53 2.151 7.228 -8.889 370 HE3 TRP 53 3HE TRP 53 -1.956 5.631 -5.861 371 HZ2 TRP 53 2HZ TRP 53 2.837 6.977 -6.162 372 HZ3 TRP 53 3HZ TRP 53 -0.523 5.699 -3.862 373 HH2 TRP 53 HH TRP 53 1.824 6.358 -4.011 374 H GLU 54 H GLU 54 -0.605 4.726 -12.024 375 HA GLU 54 HA GLU 54 -0.819 1.918 -11.233 376 HB2 GLU 54 1HB GLU 54 -0.953 2.417 -13.625 377 HB3 GLU 54 2HB GLU 54 0.616 3.207 -13.561 378 HG2 GLU 54 1HG GLU 54 1.714 1.138 -13.089 379 HG3 GLU 54 2HG GLU 54 0.171 0.306 -12.906 380 H GLU 55 H GLU 55 0.377 1.570 -9.443 381 HA GLU 55 HA GLU 55 3.257 1.936 -9.676 382 HB2 GLU 55 1HB GLU 55 1.551 3.194 -7.547 383 HB3 GLU 55 2HB GLU 55 3.227 2.773 -7.225 384 HG2 GLU 55 1HG GLU 55 2.188 4.706 -9.278 385 HG3 GLU 55 2HG GLU 55 3.140 5.069 -7.840 386 H GLU 56 H GLU 56 4.291 0.173 -9.004 387 HA GLU 56 HA GLU 56 2.816 -1.738 -7.321 388 HB2 GLU 56 1HB GLU 56 3.698 -2.276 -9.749 389 HB3 GLU 56 2HB GLU 56 5.220 -2.531 -8.907 390 HG2 GLU 56 1HG GLU 56 4.123 -4.180 -7.456 391 HG3 GLU 56 2HG GLU 56 2.624 -3.948 -8.354 392 H ALA 57 H ALA 57 3.869 -2.774 -5.609 393 HA ALA 57 HA ALA 57 6.362 -1.468 -4.727 394 HB1 ALA 57 3HB ALA 57 5.171 -2.500 -2.449 395 HB2 ALA 57 1HB ALA 57 5.196 -0.809 -2.950 396 HB3 ALA 57 2HB ALA 57 3.826 -1.835 -3.376 397 H THR 58 H THR 58 8.050 -2.732 -4.213 398 HA THR 58 HA THR 58 8.137 -5.424 -4.968 399 HB THR 58 HB THR 58 10.014 -4.117 -2.995 400 HG1 THR 58 1HG THR 58 11.187 -3.488 -4.881 401 HG21 THR 58 3HG2 THR 58 11.610 -5.710 -3.697 402 HG22 THR 58 1HG2 THR 58 10.628 -6.203 -5.076 403 HG23 THR 58 2HG2 THR 58 10.123 -6.622 -3.439 404 H VAL 59 H VAL 59 7.878 -7.318 -3.902 405 HA VAL 59 HA VAL 59 6.951 -7.152 -1.110 406 HB VAL 59 HB VAL 59 6.324 -9.299 -3.141 407 HG11 VAL 59 1HG1 VAL 59 5.827 -10.489 -1.318 408 HG12 VAL 59 2HG1 VAL 59 5.948 -9.080 -0.263 409 HG13 VAL 59 3HG1 VAL 59 4.448 -9.407 -1.130 410 HG21 VAL 59 3HG2 VAL 59 4.224 -8.324 -3.474 411 HG22 VAL 59 1HG2 VAL 59 4.384 -7.282 -2.060 412 HG23 VAL 59 2HG2 VAL 59 5.340 -6.959 -3.506 413 H ASN 60 H ASN 60 8.063 -8.186 0.423 414 HA ASN 60 HA ASN 60 10.339 -9.833 -0.401 415 HB2 ASN 60 1HB ASN 60 10.409 -7.801 1.271 416 HB3 ASN 60 2HB ASN 60 9.861 -9.003 2.435 417 HD21 ASN 60 1HD2 ASN 60 11.885 -8.573 3.501 418 HD22 ASN 60 2HD2 ASN 60 13.320 -9.370 2.962 419 H ARG 61 H ARG 61 9.956 -11.943 -0.512 420 HA ARG 61 HA ARG 61 7.817 -13.211 0.894 421 HB2 ARG 61 1HB ARG 61 10.126 -14.473 -0.596 422 HB3 ARG 61 2HB ARG 61 8.633 -15.272 -0.125 423 HG2 ARG 61 1HG ARG 61 8.605 -12.868 -1.910 424 HG3 ARG 61 2HG ARG 61 8.887 -14.489 -2.550 425 HD2 ARG 61 1HD ARG 61 6.502 -13.717 -0.877 426 HD3 ARG 61 2HD ARG 61 6.507 -13.741 -2.640 427 HE ARG 61 HE ARG 61 6.559 -16.070 -2.592 428 HH11 ARG 61 1HH1 ARG 61 6.718 -14.727 0.616 429 HH12 ARG 61 2HH1 ARG 61 6.361 -16.229 1.403 430 HH21 ARG 61 1HH2 ARG 61 6.088 -18.053 -1.568 431 HH22 ARG 61 2HH2 ARG 61 6.004 -18.120 0.160 432 H LEU 62 H LEU 62 11.323 -13.070 1.285 433 HA LEU 62 HA LEU 62 11.752 -15.014 3.174 434 HB2 LEU 62 1HB LEU 62 12.975 -12.273 2.943 435 HB3 LEU 62 2HB LEU 62 13.573 -13.515 4.042 436 HG LEU 62 HG LEU 62 13.693 -14.906 1.775 437 HD11 LEU 62 1HD1 LEU 62 13.032 -12.335 0.857 438 HD12 LEU 62 2HD1 LEU 62 13.526 -13.733 -0.097 439 HD13 LEU 62 3HD1 LEU 62 14.735 -12.581 0.471 440 HD21 LEU 62 3HD2 LEU 62 15.913 -14.789 2.094 441 HD22 LEU 62 1HD2 LEU 62 15.482 -13.827 3.508 442 HD23 LEU 62 2HD2 LEU 62 15.938 -13.027 2.004 443 H GLN 63 H GLN 63 10.517 -11.739 3.676 444 HA GLN 63 HA GLN 63 10.183 -12.264 6.529 445 HB2 GLN 63 1HB GLN 63 9.946 -9.794 4.829 446 HB3 GLN 63 2HB GLN 63 9.336 -9.832 6.478 447 HG2 GLN 63 1HG GLN 63 12.145 -10.665 5.930 448 HG3 GLN 63 2HG GLN 63 11.731 -8.952 5.976 449 HE21 GLN 63 1HE2 GLN 63 12.625 -11.615 7.778 450 HE22 GLN 63 2HE2 GLN 63 12.276 -10.999 9.354 451 H SER 64 H SER 64 8.268 -11.532 3.649 452 HA SER 64 HA SER 64 5.758 -11.343 4.860 453 HB2 SER 64 1HB SER 64 6.212 -10.705 2.512 454 HB3 SER 64 2HB SER 64 6.398 -12.408 2.097 455 HG SER 64 HG SER 64 4.308 -12.597 2.043 456 H ASN 65 H ASN 65 4.353 -12.787 5.653 457 HA ASN 65 HA ASN 65 4.885 -15.645 5.188 458 HB2 ASN 65 1HB ASN 65 5.512 -14.650 7.517 459 HB3 ASN 65 2HB ASN 65 3.774 -14.667 7.799 460 HD21 ASN 65 1HD2 ASN 65 4.137 -16.172 9.480 461 HD22 ASN 65 2HD2 ASN 65 4.415 -17.841 9.130 462 H GLU 66 H GLU 66 2.812 -16.840 6.327 463 HA GLU 66 HA GLU 66 0.667 -16.308 4.562 464 HB2 GLU 66 1HB GLU 66 1.218 -18.546 5.533 465 HB3 GLU 66 2HB GLU 66 0.606 -17.978 7.079 466 HG2 GLU 66 1HG GLU 66 -1.135 -19.219 6.118 467 HG3 GLU 66 2HG GLU 66 -1.582 -17.527 5.907 468 H VAL 67 H VAL 67 1.415 -15.250 7.782 469 HA VAL 67 HA VAL 67 -1.232 -13.973 7.989 470 HB VAL 67 HB VAL 67 -0.815 -13.778 10.399 471 HG11 VAL 67 1HG1 VAL 67 -1.865 -15.826 9.306 472 HG12 VAL 67 2HG1 VAL 67 -0.325 -16.634 9.605 473 HG13 VAL 67 3HG1 VAL 67 -1.273 -16.013 10.957 474 HG21 VAL 67 3HG2 VAL 67 1.838 -14.842 9.604 475 HG22 VAL 67 1HG2 VAL 67 1.415 -13.657 10.840 476 HG23 VAL 67 2HG2 VAL 67 1.174 -15.377 11.148 477 H THR 68 H THR 68 2.074 -13.399 7.492 478 HA THR 68 HA THR 68 1.711 -10.533 8.082 479 HB THR 68 HB THR 68 4.241 -12.181 8.215 480 HG1 THR 68 1HG THR 68 2.501 -11.879 10.018 481 HG21 THR 68 3HG2 THR 68 3.869 -9.199 8.515 482 HG22 THR 68 1HG2 THR 68 4.752 -10.019 7.228 483 HG23 THR 68 2HG2 THR 68 5.351 -10.080 8.886 484 H LEU 69 H LEU 69 2.792 -9.039 6.660 485 HA LEU 69 HA LEU 69 3.655 -10.102 4.079 486 HB2 LEU 69 1HB LEU 69 1.242 -8.454 4.581 487 HB3 LEU 69 2HB LEU 69 2.205 -8.067 3.156 488 HG LEU 69 HG LEU 69 1.055 -10.797 3.724 489 HD11 LEU 69 1HD1 LEU 69 -0.415 -8.570 3.128 490 HD12 LEU 69 2HD1 LEU 69 -0.878 -10.231 2.758 491 HD13 LEU 69 3HD1 LEU 69 -0.086 -9.244 1.531 492 HD21 LEU 69 3HD2 LEU 69 3.097 -10.121 2.064 493 HD22 LEU 69 1HD2 LEU 69 1.708 -9.958 0.990 494 HD23 LEU 69 2HD2 LEU 69 2.010 -11.488 1.814 495 H THR 70 H THR 70 5.648 -9.301 3.935 496 HA THR 70 HA THR 70 6.135 -6.531 4.786 497 HB THR 70 HB THR 70 8.136 -8.733 4.244 498 HG1 THR 70 1HG THR 70 7.043 -9.149 6.158 499 HG21 THR 70 3HG2 THR 70 9.671 -7.121 4.185 500 HG22 THR 70 1HG2 THR 70 9.223 -6.668 5.829 501 HG23 THR 70 2HG2 THR 70 8.435 -5.892 4.456 502 H LEU 71 H LEU 71 6.368 -5.012 3.289 503 HA LEU 71 HA LEU 71 7.564 -5.675 0.713 504 HB2 LEU 71 1HB LEU 71 5.812 -4.651 -0.566 505 HB3 LEU 71 2HB LEU 71 5.129 -5.933 0.432 506 HG LEU 71 HG LEU 71 5.018 -3.081 1.342 507 HD11 LEU 71 1HD1 LEU 71 3.768 -4.134 -1.018 508 HD12 LEU 71 2HD1 LEU 71 3.709 -2.503 -0.351 509 HD13 LEU 71 3HD1 LEU 71 2.549 -3.717 0.187 510 HD21 LEU 71 3HD2 LEU 71 3.395 -3.811 2.790 511 HD22 LEU 71 1HD2 LEU 71 4.407 -5.252 2.686 512 HD23 LEU 71 2HD2 LEU 71 2.915 -5.154 1.751 513 H THR 72 H THR 72 7.876 -3.611 -0.610 514 HA THR 72 HA THR 72 8.853 -1.529 1.212 515 HB THR 72 HB THR 72 9.561 -1.964 -1.696 516 HG1 THR 72 1HG THR 72 11.051 -2.603 0.651 517 HG21 THR 72 3HG2 THR 72 11.284 -0.360 -1.377 518 HG22 THR 72 1HG2 THR 72 11.013 -0.312 0.364 519 HG23 THR 72 2HG2 THR 72 9.810 0.363 -0.734 520 H VAL 73 H VAL 73 7.462 0.090 1.492 521 HA VAL 73 HA VAL 73 5.281 0.748 -0.062 522 HB VAL 73 HB VAL 73 6.943 2.619 1.630 523 HG11 VAL 73 1HG1 VAL 73 5.166 3.478 -0.141 524 HG12 VAL 73 2HG1 VAL 73 4.046 3.054 1.155 525 HG13 VAL 73 3HG1 VAL 73 5.335 4.222 1.448 526 HG21 VAL 73 3HG2 VAL 73 5.997 1.721 3.440 527 HG22 VAL 73 1HG2 VAL 73 4.396 1.738 2.701 528 HG23 VAL 73 2HG2 VAL 73 5.492 0.391 2.398 529 HA PRO 74 HA PRO 74 7.002 2.545 -3.713 530 HB2 PRO 74 1HB PRO 74 4.746 3.748 -4.626 531 HB3 PRO 74 2HB PRO 74 5.011 2.003 -4.722 532 HG2 PRO 74 1HG PRO 74 3.422 3.570 -2.728 533 HG3 PRO 74 2HG PRO 74 3.013 2.045 -3.534 534 HD2 PRO 74 1HD PRO 74 3.958 2.145 -0.998 535 HD3 PRO 74 2HD PRO 74 4.305 0.792 -2.094 536 H GLU 75 H GLU 75 6.583 4.831 -4.887 537 HA GLU 75 HA GLU 75 6.845 6.918 -2.824 538 HB2 GLU 75 1HB GLU 75 8.679 7.881 -3.899 539 HB3 GLU 75 2HB GLU 75 9.001 6.157 -4.021 540 HG2 GLU 75 1HG GLU 75 7.794 6.380 -6.319 541 HG3 GLU 75 2HG GLU 75 8.194 8.087 -6.141 542 H TYR 76 H TYR 76 5.244 8.327 -2.986 543 HA TYR 76 HA TYR 76 3.330 8.505 -4.920 544 HB2 TYR 76 1HB TYR 76 3.422 9.691 -2.662 545 HB3 TYR 76 2HB TYR 76 4.346 10.950 -3.473 546 HD1 TYR 76 1HD TYR 76 1.404 9.006 -4.682 547 HD2 TYR 76 2HD TYR 76 2.941 12.803 -3.532 548 HE1 TYR 76 1HE TYR 76 -0.692 10.068 -5.409 549 HE2 TYR 76 2HE TYR 76 0.849 13.876 -4.254 550 HH TYR 76 HH TYR 76 -1.042 13.210 -6.029 551 H SER 77 H SER 77 2.902 10.028 -6.620 552 HA SER 77 HA SER 77 5.183 10.418 -8.321 553 HB2 SER 77 1HB SER 77 2.744 9.804 -8.992 554 HB3 SER 77 2HB SER 77 2.454 11.541 -8.893 555 HG SER 77 HG SER 77 3.695 10.118 -10.828 556 H ASN 78 H ASN 78 2.641 12.733 -7.377 557 HA ASN 78 HA ASN 78 4.355 14.972 -7.856 558 HB2 ASN 78 1HB ASN 78 1.907 15.073 -8.197 559 HB3 ASN 78 2HB ASN 78 1.670 14.876 -6.463 560 HD21 ASN 78 1HD2 ASN 78 0.787 17.049 -8.092 561 HD22 ASN 78 2HD2 ASN 78 1.550 18.478 -7.493 562 H LYS 79 H LYS 79 6.071 15.165 -6.531 563 HA LYS 79 HA LYS 79 5.713 14.818 -3.650 564 HB2 LYS 79 1HB LYS 79 8.203 15.212 -5.319 565 HB3 LYS 79 2HB LYS 79 8.196 15.014 -3.571 566 HG2 LYS 79 1HG LYS 79 6.982 12.802 -4.020 567 HG3 LYS 79 2HG LYS 79 7.519 13.008 -5.689 568 HD2 LYS 79 1HD LYS 79 9.847 13.434 -4.495 569 HD3 LYS 79 2HD LYS 79 9.099 12.454 -3.231 570 HE2 LYS 79 1HE LYS 79 8.927 11.495 -6.040 571 HE3 LYS 79 2HE LYS 79 10.481 11.371 -5.216 572 HZ1 LYS 79 3HZ LYS 79 8.449 9.577 -5.046 573 HZ2 LYS 79 1HZ LYS 79 8.288 10.457 -3.610 574 HZ3 LYS 79 2HZ LYS 79 9.752 9.692 -3.973 575 H ARG 80 H ARG 80 6.711 17.249 -6.016 576 HA ARG 80 HA ARG 80 7.638 19.320 -4.621 577 HB2 ARG 80 1HB ARG 80 5.397 19.469 -6.644 578 HB3 ARG 80 2HB ARG 80 6.338 20.851 -6.099 579 HG2 ARG 80 1HG ARG 80 8.307 20.037 -7.107 580 HG3 ARG 80 2HG ARG 80 7.599 18.441 -7.369 581 HD2 ARG 80 1HD ARG 80 7.429 19.361 -9.471 582 HD3 ARG 80 2HD ARG 80 5.854 19.764 -8.787 583 HE ARG 80 HE ARG 80 6.404 21.963 -9.000 584 HH11 ARG 80 1HH1 ARG 80 9.342 20.098 -8.917 585 HH12 ARG 80 2HH1 ARG 80 10.371 21.462 -9.204 586 HH21 ARG 80 1HH2 ARG 80 7.747 23.767 -9.380 587 HH22 ARG 80 2HH2 ARG 80 9.462 23.549 -9.467 588 H VAL 81 H VAL 81 4.264 18.273 -4.578 589 HA VAL 81 HA VAL 81 2.900 20.193 -3.320 590 HB VAL 81 HB VAL 81 1.705 18.451 -1.989 591 HG11 VAL 81 1HG1 VAL 81 1.304 16.980 -4.188 592 HG12 VAL 81 2HG1 VAL 81 0.671 18.616 -3.999 593 HG13 VAL 81 3HG1 VAL 81 2.158 18.344 -4.909 594 HG21 VAL 81 3HG2 VAL 81 2.336 16.105 -2.289 595 HG22 VAL 81 1HG2 VAL 81 3.762 16.605 -3.198 596 HG23 VAL 81 2HG2 VAL 81 3.617 17.016 -1.489 597 H SER 82 H SER 82 2.835 21.248 -1.413 598 HA SER 82 HA SER 82 4.975 20.656 0.504 599 HB2 SER 82 1HB SER 82 3.486 23.126 -0.265 600 HB3 SER 82 2HB SER 82 4.109 23.010 1.381 601 HG SER 82 HG SER 82 5.466 23.837 -0.581 602 H ARG 83 H ARG 83 2.301 19.284 0.269 603 HA ARG 83 HA ARG 83 1.623 19.472 3.106 604 HB2 ARG 83 1HB ARG 83 -0.316 19.826 0.827 605 HB3 ARG 83 2HB ARG 83 -0.840 19.301 2.422 606 HG2 ARG 83 1HG ARG 83 -0.447 21.338 3.378 607 HG3 ARG 83 2HG ARG 83 0.814 21.761 2.218 608 HD2 ARG 83 1HD ARG 83 -0.931 23.150 1.593 609 HD3 ARG 83 2HD ARG 83 -1.115 21.783 0.495 610 HE ARG 83 HE ARG 83 -3.120 21.305 1.487 611 HH11 ARG 83 1HH1 ARG 83 -1.315 23.453 3.548 612 HH12 ARG 83 2HH1 ARG 83 -2.626 23.705 4.653 613 HH21 ARG 83 1HH2 ARG 83 -4.853 21.629 2.934 614 HH22 ARG 83 2HH2 ARG 83 -4.637 22.666 4.303 615 HA PRO 84 HA PRO 84 1.428 15.092 2.918 616 HB2 PRO 84 1HB PRO 84 -0.470 14.551 4.782 617 HB3 PRO 84 2HB PRO 84 1.152 15.119 5.199 618 HG2 PRO 84 1HG PRO 84 -1.405 16.665 5.002 619 HG3 PRO 84 2HG PRO 84 -0.131 16.761 6.232 620 HD2 PRO 84 1HD PRO 84 -0.345 18.553 4.213 621 HD3 PRO 84 2HD PRO 84 1.219 18.084 4.912 622 H VAL 85 H VAL 85 0.534 13.743 1.496 623 HA VAL 85 HA VAL 85 -2.144 14.322 0.475 624 HB VAL 85 HB VAL 85 -0.043 12.411 -0.558 625 HG11 VAL 85 1HG1 VAL 85 -1.542 12.542 -2.636 626 HG12 VAL 85 2HG1 VAL 85 -2.084 11.538 -1.290 627 HG13 VAL 85 3HG1 VAL 85 -2.785 13.138 -1.536 628 HG21 VAL 85 3HG2 VAL 85 0.871 14.133 -1.626 629 HG22 VAL 85 1HG2 VAL 85 -0.689 14.579 -2.318 630 HG23 VAL 85 2HG2 VAL 85 -0.209 15.212 -0.743 631 H GLN 86 H GLN 86 -3.751 12.708 0.280 632 HA GLN 86 HA GLN 86 -3.443 10.495 2.200 633 HB2 GLN 86 1HB GLN 86 -5.107 11.951 3.043 634 HB3 GLN 86 2HB GLN 86 -5.839 12.161 1.457 635 HG2 GLN 86 1HG GLN 86 -7.297 10.769 2.647 636 HG3 GLN 86 2HG GLN 86 -6.423 9.705 1.545 637 HE21 GLN 86 1HE2 GLN 86 -6.450 7.831 2.626 638 HE22 GLN 86 2HE2 GLN 86 -5.790 7.592 4.205 639 H VAL 87 H VAL 87 -3.132 8.635 1.176 640 HA VAL 87 HA VAL 87 -4.736 8.083 -1.236 641 HB VAL 87 HB VAL 87 -2.935 6.747 -2.135 642 HG11 VAL 87 1HG1 VAL 87 -1.229 8.998 -1.559 643 HG12 VAL 87 2HG1 VAL 87 -2.035 8.556 -3.065 644 HG13 VAL 87 3HG1 VAL 87 -2.885 9.522 -1.859 645 HG21 VAL 87 3HG2 VAL 87 -2.109 6.247 0.313 646 HG22 VAL 87 1HG2 VAL 87 -0.993 6.192 -1.051 647 HG23 VAL 87 2HG2 VAL 87 -1.039 7.612 -0.006 648 H TYR 88 H TYR 88 -4.838 5.643 -1.667 649 HA TYR 88 HA TYR 88 -5.006 4.119 0.835 650 HB2 TYR 88 1HB TYR 88 -7.191 4.251 -1.252 651 HB3 TYR 88 2HB TYR 88 -7.193 3.212 0.168 652 HD1 TYR 88 2HD TYR 88 -7.334 6.730 -0.961 653 HD2 TYR 88 1HD TYR 88 -7.867 4.037 2.289 654 HE1 TYR 88 2HE TYR 88 -8.411 8.520 0.338 655 HE2 TYR 88 1HE TYR 88 -8.946 5.819 3.597 656 HH TYR 88 HH TYR 88 -10.296 8.132 2.790 657 H PHE 89 H PHE 89 -5.020 1.808 0.545 658 HA PHE 89 HA PHE 89 -4.242 0.842 -2.102 659 HB2 PHE 89 1HB PHE 89 -2.348 -0.441 -1.085 660 HB3 PHE 89 2HB PHE 89 -2.114 1.304 -1.077 661 HD1 PHE 89 2HD PHE 89 -2.952 -1.615 1.009 662 HD2 PHE 89 1HD PHE 89 -1.893 2.507 0.949 663 HE1 PHE 89 2HE PHE 89 -2.553 -1.686 3.436 664 HE2 PHE 89 1HE PHE 89 -1.491 2.443 3.375 665 HZ PHE 89 HZ PHE 89 -1.822 0.345 4.622 666 H TYR 90 H TYR 90 -4.513 -1.415 -2.399 667 HA TYR 90 HA TYR 90 -6.026 -2.779 -0.276 668 HB2 TYR 90 1HB TYR 90 -7.511 -3.737 -2.003 669 HB3 TYR 90 2HB TYR 90 -7.630 -1.982 -1.926 670 HD1 TYR 90 2HD TYR 90 -6.247 -0.642 -3.642 671 HD2 TYR 90 1HD TYR 90 -7.087 -4.795 -4.038 672 HE1 TYR 90 2HE TYR 90 -5.779 -0.501 -6.052 673 HE2 TYR 90 1HE TYR 90 -6.620 -4.665 -6.449 674 HH TYR 90 HH TYR 90 -6.341 -1.724 -8.111 675 H VAL 91 H VAL 91 -6.133 -5.162 -0.612 676 HA VAL 91 HA VAL 91 -3.649 -6.144 -1.861 677 HB VAL 91 HB VAL 91 -5.057 -7.261 0.569 678 HG11 VAL 91 1HG1 VAL 91 -3.627 -8.707 -1.177 679 HG12 VAL 91 2HG1 VAL 91 -2.319 -8.104 -0.158 680 HG13 VAL 91 3HG1 VAL 91 -3.641 -9.027 0.557 681 HG21 VAL 91 3HG2 VAL 91 -3.601 -6.157 1.905 682 HG22 VAL 91 1HG2 VAL 91 -2.290 -6.242 0.728 683 HG23 VAL 91 2HG2 VAL 91 -3.559 -5.031 0.548 684 H SER 92 H SER 92 -4.067 -7.267 -3.637 685 HA SER 92 HA SER 92 -6.644 -8.538 -4.021 686 HB2 SER 92 1HB SER 92 -5.683 -7.323 -5.897 687 HB3 SER 92 2HB SER 92 -4.230 -8.320 -5.835 688 HG SER 92 HG SER 92 -5.428 -9.281 -7.361 689 H ASN 93 H ASN 93 -7.021 -10.529 -3.337 690 HA ASN 93 HA ASN 93 -4.858 -12.515 -3.504 691 HB2 ASN 93 1HB ASN 93 -6.666 -11.924 -1.174 692 HB3 ASN 93 2HB ASN 93 -5.943 -13.517 -1.379 693 HD21 ASN 93 1HD2 ASN 93 -5.252 -12.448 0.846 694 HD22 ASN 93 2HD2 ASN 93 -3.671 -11.750 0.812 695 H GLY 94 H GLY 94 -5.574 -13.673 -5.215 696 HA2 GLY 94 1HA GLY 94 -6.882 -15.677 -5.696 697 HA3 GLY 94 2HA GLY 94 -8.258 -14.877 -4.951 698 H ARG 95 H ARG 95 -9.629 -14.981 -6.687 699 HA ARG 95 HA ARG 95 -8.750 -13.658 -9.162 700 HB2 ARG 95 1HB ARG 95 -11.194 -15.393 -8.812 701 HB3 ARG 95 2HB ARG 95 -10.456 -14.868 -10.320 702 HG2 ARG 95 1HG ARG 95 -9.768 -17.064 -10.150 703 HG3 ARG 95 2HG ARG 95 -8.390 -16.178 -9.494 704 HD2 ARG 95 1HD ARG 95 -8.795 -16.865 -7.348 705 HD3 ARG 95 2HD ARG 95 -10.527 -17.050 -7.620 706 HE ARG 95 HE ARG 95 -9.092 -18.957 -9.133 707 HH11 ARG 95 1HH1 ARG 95 -10.039 -18.216 -5.866 708 HH12 ARG 95 2HH1 ARG 95 -10.027 -19.869 -5.349 709 HH21 ARG 95 1HH2 ARG 95 -9.072 -21.137 -8.464 710 HH22 ARG 95 2HH2 ARG 95 -9.476 -21.530 -6.828 711 H ARG 96 H ARG 96 -11.879 -14.109 -7.510 712 HA ARG 96 HA ARG 96 -12.513 -11.309 -8.133 713 HB2 ARG 96 1HB ARG 96 -14.160 -13.775 -7.779 714 HB3 ARG 96 2HB ARG 96 -14.885 -12.218 -7.399 715 HG2 ARG 96 1HG ARG 96 -14.582 -11.440 -9.623 716 HG3 ARG 96 2HG ARG 96 -13.576 -12.831 -10.035 717 HD2 ARG 96 1HD ARG 96 -16.493 -12.949 -9.273 718 HD3 ARG 96 2HD ARG 96 -15.868 -13.023 -10.920 719 HE ARG 96 HE ARG 96 -15.905 -15.142 -8.987 720 HH11 ARG 96 1HH1 ARG 96 -14.304 -13.889 -11.812 721 HH12 ARG 96 2HH1 ARG 96 -13.702 -15.433 -12.317 722 HH21 ARG 96 1HH2 ARG 96 -15.119 -17.181 -9.640 723 HH22 ARG 96 2HH2 ARG 96 -14.167 -17.306 -11.081 724 H LYS 97 H LYS 97 -10.824 -12.099 -5.905 725 HA LYS 97 HA LYS 97 -12.517 -11.193 -3.669 726 HB2 LYS 97 1HB LYS 97 -10.108 -13.016 -3.613 727 HB3 LYS 97 2HB LYS 97 -10.879 -12.356 -2.177 728 HG2 LYS 97 1HG LYS 97 -12.313 -14.058 -4.199 729 HG3 LYS 97 2HG LYS 97 -11.528 -14.699 -2.753 730 HD2 LYS 97 1HD LYS 97 -13.015 -13.570 -1.320 731 HD3 LYS 97 2HD LYS 97 -13.591 -12.516 -2.614 732 HE2 LYS 97 1HE LYS 97 -15.277 -14.162 -2.152 733 HE3 LYS 97 2HE LYS 97 -14.566 -14.508 -3.728 734 HZ1 LYS 97 3HZ LYS 97 -13.527 -16.377 -2.952 735 HZ2 LYS 97 1HZ LYS 97 -14.927 -16.401 -2.001 736 HZ3 LYS 97 2HZ LYS 97 -13.471 -15.837 -1.350 737 H ARG 98 H ARG 98 -11.929 -9.377 -2.643 738 HA ARG 98 HA ARG 98 -9.218 -8.329 -3.081 739 HB2 ARG 98 1HB ARG 98 -11.260 -7.293 -4.455 740 HB3 ARG 98 2HB ARG 98 -11.469 -6.387 -2.962 741 HG2 ARG 98 1HG ARG 98 -8.869 -5.984 -3.287 742 HG3 ARG 98 2HG ARG 98 -9.301 -6.261 -4.975 743 HD2 ARG 98 1HD ARG 98 -11.254 -4.571 -4.339 744 HD3 ARG 98 2HD ARG 98 -10.061 -4.049 -3.151 745 HE ARG 98 HE ARG 98 -8.780 -4.203 -5.618 746 HH11 ARG 98 1HH1 ARG 98 -11.317 -2.368 -4.096 747 HH12 ARG 98 2HH1 ARG 98 -11.041 -0.948 -5.050 748 HH21 ARG 98 1HH2 ARG 98 -8.407 -2.341 -6.881 749 HH22 ARG 98 2HH2 ARG 98 -9.386 -0.934 -6.634 750 H SER 99 H SER 99 -8.637 -6.605 -1.514 751 HA SER 99 HA SER 99 -9.805 -7.219 1.114 752 HB2 SER 99 1HB SER 99 -7.598 -7.699 1.455 753 HB3 SER 99 2HB SER 99 -7.055 -6.613 0.176 754 HG SER 99 HG SER 99 -7.158 -4.923 1.547 755 HA PRO 100 HA PRO 100 -11.322 -3.134 1.629 756 HB2 PRO 100 1HB PRO 100 -10.976 -2.772 4.298 757 HB3 PRO 100 2HB PRO 100 -12.211 -3.843 3.625 758 HG2 PRO 100 1HG PRO 100 -9.516 -4.522 4.736 759 HG3 PRO 100 2HG PRO 100 -11.067 -5.345 4.982 760 HD2 PRO 100 1HD PRO 100 -9.200 -6.248 3.241 761 HD3 PRO 100 2HD PRO 100 -10.942 -6.456 2.967 762 H THR 101 H THR 101 -10.343 -1.340 0.957 763 HA THR 101 HA THR 101 -7.686 -0.743 0.943 764 HB THR 101 HB THR 101 -8.321 1.666 0.777 765 HG1 THR 101 1HG THR 101 -10.860 0.590 1.462 766 HG21 THR 101 3HG2 THR 101 -10.340 0.417 -0.942 767 HG22 THR 101 1HG2 THR 101 -8.757 -0.354 -1.012 768 HG23 THR 101 2HG2 THR 101 -8.917 1.365 -1.371 769 H GLN 102 H GLN 102 -6.472 0.950 2.128 770 HA GLN 102 HA GLN 102 -7.211 1.068 4.974 771 HB2 GLN 102 1HB GLN 102 -4.471 0.511 3.828 772 HB3 GLN 102 2HB GLN 102 -4.795 0.831 5.526 773 HG2 GLN 102 1HG GLN 102 -5.796 -1.499 3.908 774 HG3 GLN 102 2HG GLN 102 -4.568 -1.533 5.173 775 HE21 GLN 102 1HE2 GLN 102 -7.325 -2.764 4.779 776 HE22 GLN 102 2HE2 GLN 102 -8.134 -2.443 6.271 777 H SER 103 H SER 103 -7.404 3.090 5.645 778 HA SER 103 HA SER 103 -6.803 5.338 4.109 779 HB2 SER 103 1HB SER 103 -7.219 6.637 6.170 780 HB3 SER 103 2HB SER 103 -8.441 5.388 5.928 781 HG SER 103 HG SER 103 -7.513 4.174 7.518 782 H PHE 104 H PHE 104 -4.850 5.967 3.485 783 HA PHE 104 HA PHE 104 -2.667 5.914 5.463 784 HB2 PHE 104 1HB PHE 104 -2.625 4.344 3.328 785 HB3 PHE 104 2HB PHE 104 -2.061 5.815 2.542 786 HD1 PHE 104 2HD PHE 104 -1.331 3.416 5.255 787 HD2 PHE 104 1HD PHE 104 0.150 6.567 2.807 788 HE1 PHE 104 2HE PHE 104 0.949 2.968 6.063 789 HE2 PHE 104 1HE PHE 104 2.433 6.123 3.610 790 HZ PHE 104 HZ PHE 104 2.834 4.323 5.242 791 H ARG 105 H ARG 105 -0.937 7.528 5.018 792 HA ARG 105 HA ARG 105 -1.676 9.837 3.442 793 HB2 ARG 105 1HB ARG 105 -2.895 10.170 5.582 794 HB3 ARG 105 2HB ARG 105 -1.359 10.100 6.436 795 HG2 ARG 105 1HG ARG 105 -0.656 12.051 4.928 796 HG3 ARG 105 2HG ARG 105 -2.379 12.213 4.577 797 HD2 ARG 105 1HD ARG 105 -1.272 12.153 7.375 798 HD3 ARG 105 2HD ARG 105 -1.479 13.645 6.459 799 HE ARG 105 HE ARG 105 -3.843 11.996 6.660 800 HH11 ARG 105 1HH1 ARG 105 -1.988 14.596 8.043 801 HH12 ARG 105 2HH1 ARG 105 -3.335 15.282 8.889 802 HH21 ARG 105 1HH2 ARG 105 -5.625 12.889 7.769 803 HH22 ARG 105 2HH2 ARG 105 -5.404 14.309 8.733 804 H PHE 106 H PHE 106 0.110 10.606 2.538 805 HA PHE 106 HA PHE 106 2.700 9.823 3.630 806 HB2 PHE 106 1HB PHE 106 2.015 11.160 1.004 807 HB3 PHE 106 2HB PHE 106 3.606 10.572 1.473 808 HD1 PHE 106 1HD PHE 106 3.146 7.980 2.588 809 HD2 PHE 106 2HD PHE 106 1.208 9.858 -0.705 810 HE1 PHE 106 1HE PHE 106 2.606 5.771 1.650 811 HE2 PHE 106 2HE PHE 106 0.665 7.651 -1.647 812 HZ PHE 106 HZ PHE 106 1.364 5.604 -0.470 813 H LEU 107 H LEU 107 4.159 11.207 4.472 814 HA LEU 107 HA LEU 107 3.290 13.975 4.859 815 HB2 LEU 107 1HB LEU 107 5.586 12.549 6.183 816 HB3 LEU 107 2HB LEU 107 4.850 14.075 6.669 817 HG LEU 107 HG LEU 107 3.331 11.480 6.710 818 HD11 LEU 107 1HD1 LEU 107 3.879 11.864 9.293 819 HD12 LEU 107 2HD1 LEU 107 5.365 12.507 8.594 820 HD13 LEU 107 3HD1 LEU 107 4.871 10.851 8.244 821 HD21 LEU 107 3HD2 LEU 107 2.464 14.041 6.942 822 HD22 LEU 107 1HD2 LEU 107 2.783 13.633 8.628 823 HD23 LEU 107 2HD2 LEU 107 1.673 12.646 7.677 824 HA PRO 108 HA PRO 108 6.238 15.565 2.002 825 HB2 PRO 108 1HB PRO 108 6.504 18.073 3.007 826 HB3 PRO 108 2HB PRO 108 5.069 17.539 2.125 827 HG2 PRO 108 1HG PRO 108 5.502 17.764 5.078 828 HG3 PRO 108 2HG PRO 108 4.087 18.230 4.117 829 HD2 PRO 108 1HD PRO 108 4.190 15.926 5.534 830 HD3 PRO 108 2HD PRO 108 3.291 16.069 4.010 831 H VAL 109 H VAL 109 8.371 15.291 1.876 832 HA VAL 109 HA VAL 109 9.988 14.807 4.142 833 HB VAL 109 HB VAL 109 10.858 15.423 1.314 834 HG11 VAL 109 1HG1 VAL 109 12.403 15.264 3.606 835 HG12 VAL 109 2HG1 VAL 109 12.556 13.666 2.874 836 HG13 VAL 109 3HG1 VAL 109 12.971 15.106 1.945 837 HG21 VAL 109 3HG2 VAL 109 9.279 13.379 1.975 838 HG22 VAL 109 1HG2 VAL 109 10.544 13.243 0.754 839 HG23 VAL 109 2HG2 VAL 109 10.836 12.662 2.394 840 H ILE 110 H ILE 110 9.421 17.650 2.169 841 HA ILE 110 HA ILE 110 11.433 19.342 2.585 842 HB ILE 110 HB ILE 110 8.530 20.004 3.086 843 HG12 ILE 110 1HG1 ILE 110 10.160 20.580 0.618 844 HG13 ILE 110 2HG1 ILE 110 9.301 19.058 0.824 845 HG21 ILE 110 1HG2 ILE 110 10.830 21.589 3.547 846 HG22 ILE 110 2HG2 ILE 110 10.020 22.224 2.115 847 HG23 ILE 110 3HG2 ILE 110 9.134 22.067 3.632 848 HD11 ILE 110 3HD1 ILE 110 7.217 20.092 0.756 849 HD12 ILE 110 1HD1 ILE 110 7.896 21.688 1.075 850 HD13 ILE 110 2HD1 ILE 110 8.154 20.916 -0.490 851 H CYS 111 H CYS 111 9.043 18.528 5.081 852 HA CYS 111 HA CYS 111 10.982 18.977 7.155 853 HB2 CYS 111 1HB CYS 111 9.802 20.724 8.334 854 HB3 CYS 111 2HB CYS 111 10.143 21.277 6.699 855 HG CYS 111 HG CYS 111 7.208 19.866 6.645 856 H LYS 112 H LYS 112 10.584 17.685 8.851 857 HA LYS 112 HA LYS 112 8.078 16.172 8.833 858 HB2 LYS 112 1HB LYS 112 9.247 14.589 10.298 859 HB3 LYS 112 2HB LYS 112 10.145 14.869 8.812 860 HG2 LYS 112 1HG LYS 112 11.449 16.614 10.183 861 HG3 LYS 112 2HG LYS 112 10.763 15.796 11.589 862 HD2 LYS 112 1HD LYS 112 12.858 14.777 11.224 863 HD3 LYS 112 2HD LYS 112 11.665 13.641 10.590 864 HE2 LYS 112 1HE LYS 112 12.079 14.471 8.327 865 HE3 LYS 112 2HE LYS 112 13.260 15.617 8.959 866 HZ1 LYS 112 3HZ LYS 112 14.492 13.802 8.179 867 HZ2 LYS 112 1HZ LYS 112 13.447 12.665 8.871 868 HZ3 LYS 112 2HZ LYS 112 14.455 13.597 9.858 869 H GLU 113 H GLU 113 6.592 16.318 10.409 870 HA GLU 113 HA GLU 113 6.818 18.431 12.334 871 HB2 GLU 113 1HB GLU 113 4.688 17.856 11.194 872 HB3 GLU 113 2HB GLU 113 4.667 16.325 12.058 873 HG2 GLU 113 1HG GLU 113 4.102 17.288 14.043 874 HG3 GLU 113 2HG GLU 113 4.878 18.820 13.649 875 H GLU 114 H GLU 114 6.790 14.897 12.452 876 HA GLU 114 HA GLU 114 6.855 14.702 15.282 877 HB2 GLU 114 1HB GLU 114 6.172 12.880 13.672 878 HB3 GLU 114 2HB GLU 114 7.879 12.658 13.312 879 HG2 GLU 114 1HG GLU 114 6.681 12.398 16.058 880 HG3 GLU 114 2HG GLU 114 6.964 11.048 14.961 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -16.848 -26.158 4.914 2 HA2 GLY 1 1HA GLY 1 -16.513 -23.835 4.277 3 HA3 GLY 1 2HA GLY 1 -18.195 -23.540 4.695 4 H SER 2 H SER 2 -15.369 -22.610 5.641 5 HA SER 2 HA SER 2 -15.533 -23.214 8.478 6 HB2 SER 2 1HB SER 2 -13.352 -23.045 7.153 7 HB3 SER 2 2HB SER 2 -13.605 -21.300 7.163 8 HG SER 2 HG SER 2 -12.884 -21.272 9.125 9 H SER 3 H SER 3 -16.180 -21.840 10.056 10 HA SER 3 HA SER 3 -17.782 -19.587 9.282 11 HB2 SER 3 1HB SER 3 -18.551 -20.957 11.115 12 HB3 SER 3 2HB SER 3 -17.044 -20.707 11.994 13 HG SER 3 HG SER 3 -17.592 -18.497 12.157 14 H GLY 4 H GLY 4 -16.312 -18.124 8.358 15 HA2 GLY 4 1HA GLY 4 -15.439 -16.001 9.726 16 HA3 GLY 4 2HA GLY 4 -14.114 -17.127 9.979 17 H SER 5 H SER 5 -12.469 -16.662 8.693 18 HA SER 5 HA SER 5 -12.785 -15.177 6.273 19 HB2 SER 5 1HB SER 5 -10.426 -15.172 6.140 20 HB3 SER 5 2HB SER 5 -10.771 -15.160 7.869 21 HG SER 5 HG SER 5 -9.696 -16.946 7.999 22 H SER 6 H SER 6 -13.238 -15.927 4.320 23 HA SER 6 HA SER 6 -12.848 -18.798 3.794 24 HB2 SER 6 1HB SER 6 -14.552 -18.222 1.877 25 HB3 SER 6 2HB SER 6 -15.129 -18.468 3.525 26 HG SER 6 HG SER 6 -15.045 -16.169 3.775 27 H GLY 7 H GLY 7 -10.553 -17.899 3.410 28 HA2 GLY 7 1HA GLY 7 -8.930 -17.885 1.744 29 HA3 GLY 7 2HA GLY 7 -10.204 -17.741 0.542 30 H LEU 8 H LEU 8 -11.390 -15.415 1.938 31 HA LEU 8 HA LEU 8 -10.052 -13.376 0.535 32 HB2 LEU 8 1HB LEU 8 -11.952 -13.083 2.857 33 HB3 LEU 8 2HB LEU 8 -11.544 -11.842 1.674 34 HG LEU 8 HG LEU 8 -12.764 -14.379 0.702 35 HD11 LEU 8 1HD1 LEU 8 -14.826 -12.488 1.220 36 HD12 LEU 8 2HD1 LEU 8 -13.973 -12.822 2.727 37 HD13 LEU 8 3HD1 LEU 8 -14.673 -14.147 1.799 38 HD21 LEU 8 3HD2 LEU 8 -13.687 -12.934 -0.977 39 HD22 LEU 8 1HD2 LEU 8 -11.965 -12.584 -0.819 40 HD23 LEU 8 2HD2 LEU 8 -13.155 -11.499 -0.099 41 HA PRO 9 HA PRO 9 -6.760 -12.334 3.274 42 HB2 PRO 9 1HB PRO 9 -6.258 -9.826 2.362 43 HB3 PRO 9 2HB PRO 9 -5.801 -11.282 1.470 44 HG2 PRO 9 1HG PRO 9 -8.170 -9.492 1.089 45 HG3 PRO 9 2HG PRO 9 -7.109 -10.218 -0.132 46 HD2 PRO 9 1HD PRO 9 -9.544 -11.237 0.473 47 HD3 PRO 9 2HD PRO 9 -8.181 -12.256 -0.034 48 H GLN 10 H GLN 10 -6.449 -11.290 5.197 49 HA GLN 10 HA GLN 10 -8.576 -9.437 6.049 50 HB2 GLN 10 1HB GLN 10 -7.045 -11.480 7.662 51 HB3 GLN 10 2HB GLN 10 -8.099 -10.263 8.370 52 HG2 GLN 10 1HG GLN 10 -9.938 -11.217 6.909 53 HG3 GLN 10 2HG GLN 10 -8.846 -12.567 6.601 54 HE21 GLN 10 1HE2 GLN 10 -8.778 -14.181 8.020 55 HE22 GLN 10 2HE2 GLN 10 -9.536 -14.179 9.572 56 H VAL 11 H VAL 11 -8.014 -7.552 7.035 57 HA VAL 11 HA VAL 11 -5.138 -7.048 7.434 58 HB VAL 11 HB VAL 11 -7.158 -5.133 6.261 59 HG11 VAL 11 1HG1 VAL 11 -5.130 -3.669 5.962 60 HG12 VAL 11 2HG1 VAL 11 -5.689 -3.862 7.624 61 HG13 VAL 11 3HG1 VAL 11 -4.280 -4.758 7.057 62 HG21 VAL 11 3HG2 VAL 11 -4.668 -5.892 4.846 63 HG22 VAL 11 1HG2 VAL 11 -5.955 -7.096 4.919 64 HG23 VAL 11 2HG2 VAL 11 -6.266 -5.514 4.204 65 H GLU 12 H GLU 12 -5.160 -7.248 9.644 66 HA GLU 12 HA GLU 12 -7.152 -6.069 11.304 67 HB2 GLU 12 1HB GLU 12 -5.495 -8.036 11.784 68 HB3 GLU 12 2HB GLU 12 -4.408 -6.752 12.295 69 HG2 GLU 12 1HG GLU 12 -5.513 -7.561 14.227 70 HG3 GLU 12 2HG GLU 12 -6.187 -5.974 13.861 71 H ALA 13 H ALA 13 -3.694 -5.282 10.896 72 HA ALA 13 HA ALA 13 -4.337 -2.445 11.107 73 HB1 ALA 13 3HB ALA 13 -3.088 -1.979 12.976 74 HB2 ALA 13 1HB ALA 13 -3.750 -3.556 13.405 75 HB3 ALA 13 2HB ALA 13 -2.095 -3.427 12.809 76 H TYR 14 H TYR 14 -2.184 -1.146 10.885 77 HA TYR 14 HA TYR 14 -0.150 -2.454 9.303 78 HB2 TYR 14 1HB TYR 14 -0.460 -0.886 7.370 79 HB3 TYR 14 2HB TYR 14 -1.748 -2.072 7.551 80 HD1 TYR 14 1HD TYR 14 -0.874 1.461 8.328 81 HD2 TYR 14 2HD TYR 14 -3.975 -1.379 7.683 82 HE1 TYR 14 1HE TYR 14 -2.532 3.277 8.350 83 HE2 TYR 14 2HE TYR 14 -5.642 0.429 7.701 84 HH TYR 14 HH TYR 14 -5.832 2.761 7.433 85 H SER 15 H SER 15 1.770 -1.462 9.520 86 HA SER 15 HA SER 15 1.862 1.345 10.333 87 HB2 SER 15 1HB SER 15 3.500 0.796 12.138 88 HB3 SER 15 2HB SER 15 1.882 0.167 12.450 89 HG SER 15 HG SER 15 4.174 -1.242 11.573 90 HA PRO 16 HA PRO 16 3.667 2.568 11.251 91 HB2 PRO 16 1HB PRO 16 4.548 4.792 9.967 92 HB3 PRO 16 2HB PRO 16 5.622 3.712 10.864 93 HG2 PRO 16 1HG PRO 16 5.109 3.855 7.918 94 HG3 PRO 16 2HG PRO 16 6.648 3.663 8.778 95 HD2 PRO 16 1HD PRO 16 5.343 1.579 7.643 96 HD3 PRO 16 2HD PRO 16 6.323 1.406 9.113 97 H SER 17 H SER 17 1.940 3.955 11.475 98 HA SER 17 HA SER 17 -0.256 3.720 9.853 99 HB2 SER 17 1HB SER 17 -1.032 5.897 10.926 100 HB3 SER 17 2HB SER 17 -0.563 4.611 12.037 101 HG SER 17 HG SER 17 1.211 5.700 12.584 102 H ALA 18 H ALA 18 2.406 5.978 9.572 103 HA ALA 18 HA ALA 18 1.462 6.705 6.906 104 HB1 ALA 18 3HB ALA 18 2.271 9.135 7.604 105 HB2 ALA 18 1HB ALA 18 0.607 8.596 7.835 106 HB3 ALA 18 2HB ALA 18 1.737 8.577 9.190 107 H CYS 19 H CYS 19 3.121 7.596 5.545 108 HA CYS 19 HA CYS 19 5.861 7.367 6.547 109 HB2 CYS 19 1HB CYS 19 6.577 5.899 4.836 110 HB3 CYS 19 2HB CYS 19 5.094 5.191 5.462 111 HG CYS 19 HG CYS 19 5.673 6.607 2.440 112 H SER 20 H SER 20 7.369 7.913 4.492 113 HA SER 20 HA SER 20 6.607 10.609 3.777 114 HB2 SER 20 1HB SER 20 9.120 9.004 3.266 115 HB3 SER 20 2HB SER 20 8.904 10.679 2.756 116 HG SER 20 HG SER 20 9.897 10.753 4.722 117 H VAL 21 H VAL 21 7.057 11.366 1.497 118 HA VAL 21 HA VAL 21 5.477 9.782 -0.310 119 HB VAL 21 HB VAL 21 6.062 11.682 -1.933 120 HG11 VAL 21 1HG1 VAL 21 4.632 12.362 0.635 121 HG12 VAL 21 2HG1 VAL 21 4.428 13.169 -0.921 122 HG13 VAL 21 3HG1 VAL 21 3.931 11.487 -0.727 123 HG21 VAL 21 3HG2 VAL 21 7.955 12.277 -0.032 124 HG22 VAL 21 1HG2 VAL 21 7.407 13.357 -1.314 125 HG23 VAL 21 2HG2 VAL 21 6.687 13.459 0.292 126 H ARG 22 H ARG 22 8.838 10.279 0.288 127 HA ARG 22 HA ARG 22 9.821 9.551 -2.276 128 HB2 ARG 22 1HB ARG 22 11.094 9.545 0.460 129 HB3 ARG 22 2HB ARG 22 11.968 9.128 -1.007 130 HG2 ARG 22 1HG ARG 22 11.034 11.463 -1.808 131 HG3 ARG 22 2HG ARG 22 10.978 11.761 -0.069 132 HD2 ARG 22 1HD ARG 22 13.412 10.804 -0.133 133 HD3 ARG 22 2HD ARG 22 13.327 11.248 -1.837 134 HE ARG 22 HE ARG 22 12.491 13.411 -0.223 135 HH11 ARG 22 1HH1 ARG 22 15.345 11.660 -1.176 136 HH12 ARG 22 2HH1 ARG 22 16.406 13.013 -0.959 137 HH21 ARG 22 1HH2 ARG 22 13.877 15.199 0.066 138 HH22 ARG 22 2HH2 ARG 22 15.570 15.025 -0.252 139 H GLY 23 H GLY 23 9.155 7.744 0.692 140 HA2 GLY 23 1HA GLY 23 8.518 5.494 0.810 141 HA3 GLY 23 2HA GLY 23 9.001 5.293 -0.867 142 H GLY 24 H GLY 24 9.999 3.298 -0.134 143 HA2 GLY 24 1HA GLY 24 12.037 2.201 0.094 144 HA3 GLY 24 2HA GLY 24 12.784 3.735 0.517 145 H GLU 25 H GLU 25 9.932 2.836 2.224 146 HA GLU 25 HA GLU 25 11.582 2.234 4.587 147 HB2 GLU 25 1HB GLU 25 8.833 3.458 4.346 148 HB3 GLU 25 2HB GLU 25 9.514 2.919 5.874 149 HG2 GLU 25 1HG GLU 25 9.764 5.330 5.534 150 HG3 GLU 25 2HG GLU 25 11.316 4.508 5.682 151 H GLU 26 H GLU 26 10.446 0.819 6.228 152 HA GLU 26 HA GLU 26 9.482 -1.555 4.847 153 HB2 GLU 26 1HB GLU 26 11.201 -2.021 6.405 154 HB3 GLU 26 2HB GLU 26 10.451 -1.030 7.649 155 HG2 GLU 26 1HG GLU 26 8.977 -3.398 6.615 156 HG3 GLU 26 2HG GLU 26 10.318 -3.642 7.733 157 H LEU 27 H LEU 27 7.437 -2.248 4.870 158 HA LEU 27 HA LEU 27 5.562 -0.990 6.762 159 HB2 LEU 27 1HB LEU 27 5.236 -0.075 4.536 160 HB3 LEU 27 2HB LEU 27 5.083 -1.700 3.872 161 HG LEU 27 HG LEU 27 3.020 -1.981 5.269 162 HD11 LEU 27 1HD1 LEU 27 2.210 -0.370 6.608 163 HD12 LEU 27 2HD1 LEU 27 2.706 0.929 5.523 164 HD13 LEU 27 3HD1 LEU 27 3.880 0.199 6.618 165 HD21 LEU 27 3HD2 LEU 27 3.408 -0.613 2.832 166 HD22 LEU 27 1HD2 LEU 27 2.150 0.251 3.716 167 HD23 LEU 27 2HD2 LEU 27 1.968 -1.472 3.384 168 H VAL 28 H VAL 28 4.918 -2.483 8.161 169 HA VAL 28 HA VAL 28 4.648 -5.266 7.270 170 HB VAL 28 HB VAL 28 4.693 -4.144 10.075 171 HG11 VAL 28 1HG1 VAL 28 4.890 -7.029 9.240 172 HG12 VAL 28 2HG1 VAL 28 4.697 -6.378 10.869 173 HG13 VAL 28 3HG1 VAL 28 3.373 -6.263 9.709 174 HG21 VAL 28 3HG2 VAL 28 6.915 -4.329 10.063 175 HG22 VAL 28 1HG2 VAL 28 6.847 -5.934 9.336 176 HG23 VAL 28 2HG2 VAL 28 6.805 -4.499 8.311 177 H LEU 29 H LEU 29 2.673 -5.717 6.534 178 HA LEU 29 HA LEU 29 0.338 -4.388 7.647 179 HB2 LEU 29 1HB LEU 29 0.744 -6.273 5.340 180 HB3 LEU 29 2HB LEU 29 -0.855 -5.767 5.880 181 HG LEU 29 HG LEU 29 1.286 -3.869 4.927 182 HD11 LEU 29 1HD1 LEU 29 -0.871 -5.332 3.468 183 HD12 LEU 29 2HD1 LEU 29 0.799 -5.027 2.992 184 HD13 LEU 29 3HD1 LEU 29 -0.383 -3.719 2.946 185 HD21 LEU 29 3HD2 LEU 29 -1.024 -2.576 4.586 186 HD22 LEU 29 1HD2 LEU 29 -0.098 -2.496 6.085 187 HD23 LEU 29 2HD2 LEU 29 -1.475 -3.590 5.958 188 H THR 30 H THR 30 -0.430 -5.192 9.489 189 HA THR 30 HA THR 30 -0.140 -7.980 10.172 190 HB THR 30 HB THR 30 -1.800 -5.987 11.701 191 HG1 THR 30 1HG THR 30 0.577 -5.430 11.099 192 HG21 THR 30 3HG2 THR 30 -0.645 -8.651 12.181 193 HG22 THR 30 1HG2 THR 30 -2.063 -7.885 12.896 194 HG23 THR 30 2HG2 THR 30 -0.452 -7.502 13.504 195 H GLY 31 H GLY 31 -1.637 -9.553 10.030 196 HA2 GLY 31 1HA GLY 31 -4.406 -9.250 10.087 197 HA3 GLY 31 2HA GLY 31 -3.922 -9.189 8.399 198 H SER 32 H SER 32 -4.739 -11.095 7.689 199 HA SER 32 HA SER 32 -3.287 -13.472 8.282 200 HB2 SER 32 1HB SER 32 -6.072 -13.168 9.395 201 HB3 SER 32 2HB SER 32 -5.389 -14.751 9.027 202 HG SER 32 HG SER 32 -3.535 -13.603 10.384 203 H ASN 33 H ASN 33 -4.011 -15.310 6.979 204 HA ASN 33 HA ASN 33 -4.846 -16.292 5.095 205 HB2 ASN 33 1HB ASN 33 -6.984 -14.974 5.905 206 HB3 ASN 33 2HB ASN 33 -6.631 -13.966 4.504 207 HD21 ASN 33 1HD2 ASN 33 -8.721 -16.079 5.288 208 HD22 ASN 33 2HD2 ASN 33 -8.817 -17.078 3.881 209 H PHE 34 H PHE 34 -2.511 -14.833 4.976 210 HA PHE 34 HA PHE 34 -2.663 -13.328 2.463 211 HB2 PHE 34 1HB PHE 34 -0.494 -13.521 4.558 212 HB3 PHE 34 2HB PHE 34 -0.305 -12.659 3.035 213 HD1 PHE 34 1HD PHE 34 -2.891 -11.337 2.740 214 HD2 PHE 34 2HD PHE 34 -0.484 -11.900 6.204 215 HE1 PHE 34 1HE PHE 34 -3.886 -9.327 3.753 216 HE2 PHE 34 2HE PHE 34 -1.475 -9.893 7.224 217 HZ PHE 34 HZ PHE 34 -3.179 -8.604 5.999 218 H LEU 35 H LEU 35 -1.172 -13.763 0.757 219 HA LEU 35 HA LEU 35 -0.103 -16.509 0.782 220 HB2 LEU 35 1HB LEU 35 -1.584 -15.020 -1.358 221 HB3 LEU 35 2HB LEU 35 -0.518 -16.367 -1.753 222 HG LEU 35 HG LEU 35 -2.730 -16.725 0.233 223 HD11 LEU 35 1HD1 LEU 35 -3.852 -15.763 -1.655 224 HD12 LEU 35 2HD1 LEU 35 -4.153 -17.501 -1.646 225 HD13 LEU 35 3HD1 LEU 35 -2.977 -16.816 -2.768 226 HD21 LEU 35 3HD2 LEU 35 -2.561 -19.007 -1.140 227 HD22 LEU 35 1HD2 LEU 35 -1.540 -18.654 0.254 228 HD23 LEU 35 2HD2 LEU 35 -0.915 -18.419 -1.379 229 HA PRO 36 HA PRO 36 3.807 -14.813 -0.291 230 HB2 PRO 36 1HB PRO 36 4.878 -16.901 -1.657 231 HB3 PRO 36 2HB PRO 36 4.669 -16.907 0.099 232 HG2 PRO 36 1HG PRO 36 2.954 -18.150 -2.017 233 HG3 PRO 36 2HG PRO 36 3.471 -18.821 -0.459 234 HD2 PRO 36 1HD PRO 36 1.010 -17.758 -0.844 235 HD3 PRO 36 2HD PRO 36 1.856 -17.669 0.715 236 H ASP 37 H ASP 37 1.421 -15.474 -2.565 237 HA ASP 37 HA ASP 37 3.047 -14.350 -4.750 238 HB2 ASP 37 1HB ASP 37 1.831 -15.573 -6.305 239 HB3 ASP 37 2HB ASP 37 1.913 -16.694 -4.949 240 H SER 38 H SER 38 0.841 -13.494 -2.493 241 HA SER 38 HA SER 38 -1.123 -12.063 -3.876 242 HB2 SER 38 1HB SER 38 0.105 -11.496 -1.167 243 HB3 SER 38 2HB SER 38 -1.382 -10.767 -1.772 244 HG SER 38 HG SER 38 -2.050 -13.086 -2.051 245 H LYS 39 H LYS 39 -1.342 -9.752 -4.156 246 HA LYS 39 HA LYS 39 1.231 -8.370 -4.535 247 HB2 LYS 39 1HB LYS 39 0.103 -9.193 -6.669 248 HB3 LYS 39 2HB LYS 39 -1.156 -8.009 -6.341 249 HG2 LYS 39 1HG LYS 39 0.194 -6.230 -6.821 250 HG3 LYS 39 2HG LYS 39 1.671 -7.091 -6.379 251 HD2 LYS 39 1HD LYS 39 1.856 -8.101 -8.427 252 HD3 LYS 39 2HD LYS 39 0.116 -8.066 -8.723 253 HE2 LYS 39 1HE LYS 39 0.219 -5.671 -9.133 254 HE3 LYS 39 2HE LYS 39 1.944 -5.666 -8.774 255 HZ1 LYS 39 3HZ LYS 39 1.541 -7.589 -10.729 256 HZ2 LYS 39 1HZ LYS 39 2.307 -6.090 -10.901 257 HZ3 LYS 39 2HZ LYS 39 0.651 -6.235 -11.215 258 H VAL 40 H VAL 40 1.250 -6.135 -4.187 259 HA VAL 40 HA VAL 40 -1.172 -5.029 -2.923 260 HB VAL 40 HB VAL 40 1.679 -4.598 -2.018 261 HG11 VAL 40 1HG1 VAL 40 -0.914 -3.481 -0.957 262 HG12 VAL 40 2HG1 VAL 40 0.660 -3.312 -0.178 263 HG13 VAL 40 3HG1 VAL 40 0.372 -2.577 -1.755 264 HG21 VAL 40 3HG2 VAL 40 -0.184 -6.637 -1.391 265 HG22 VAL 40 1HG2 VAL 40 1.396 -6.337 -0.667 266 HG23 VAL 40 2HG2 VAL 40 -0.045 -5.590 0.021 267 H VAL 41 H VAL 41 -1.904 -3.353 -4.037 268 HA VAL 41 HA VAL 41 0.042 -1.559 -5.334 269 HB VAL 41 HB VAL 41 -1.363 -1.259 -7.217 270 HG11 VAL 41 1HG1 VAL 41 -0.022 -3.382 -7.092 271 HG12 VAL 41 2HG1 VAL 41 -1.514 -4.211 -6.644 272 HG13 VAL 41 3HG1 VAL 41 -1.383 -3.416 -8.213 273 HG21 VAL 41 3HG2 VAL 41 -3.429 -2.700 -5.585 274 HG22 VAL 41 1HG2 VAL 41 -3.529 -1.113 -6.347 275 HG23 VAL 41 2HG2 VAL 41 -3.564 -2.572 -7.338 276 H PHE 42 H PHE 42 -0.411 0.636 -5.301 277 HA PHE 42 HA PHE 42 -2.420 1.434 -3.319 278 HB2 PHE 42 1HB PHE 42 0.082 2.752 -4.356 279 HB3 PHE 42 2HB PHE 42 -1.123 3.651 -3.440 280 HD1 PHE 42 2HD PHE 42 0.856 0.498 -3.223 281 HD2 PHE 42 1HD PHE 42 -0.872 3.798 -1.163 282 HE1 PHE 42 2HE PHE 42 1.878 -0.281 -1.124 283 HE2 PHE 42 1HE PHE 42 0.149 3.025 0.938 284 HZ PHE 42 HZ PHE 42 1.524 0.983 0.960 285 H ILE 43 H ILE 43 -3.484 3.580 -3.714 286 HA ILE 43 HA ILE 43 -3.972 4.106 -6.558 287 HB ILE 43 HB ILE 43 -6.392 4.262 -6.174 288 HG12 ILE 43 1HG1 ILE 43 -5.985 2.887 -3.529 289 HG13 ILE 43 2HG1 ILE 43 -6.037 4.643 -3.640 290 HG21 ILE 43 1HG2 ILE 43 -6.000 1.542 -5.219 291 HG22 ILE 43 2HG2 ILE 43 -6.632 2.122 -6.759 292 HG23 ILE 43 3HG2 ILE 43 -4.891 1.983 -6.518 293 HD11 ILE 43 3HD1 ILE 43 -8.248 3.275 -4.983 294 HD12 ILE 43 1HD1 ILE 43 -8.186 3.049 -3.235 295 HD13 ILE 43 2HD1 ILE 43 -8.254 4.676 -3.912 296 H GLU 44 H GLU 44 -5.246 6.155 -6.866 297 HA GLU 44 HA GLU 44 -4.986 8.073 -4.685 298 HB2 GLU 44 1HB GLU 44 -2.858 8.293 -5.802 299 HB3 GLU 44 2HB GLU 44 -3.644 8.396 -7.371 300 HG2 GLU 44 1HG GLU 44 -4.802 10.485 -6.399 301 HG3 GLU 44 2HG GLU 44 -3.522 10.433 -5.189 302 H ARG 45 H ARG 45 -6.607 9.515 -4.649 303 HA ARG 45 HA ARG 45 -8.602 9.354 -6.769 304 HB2 ARG 45 1HB ARG 45 -8.598 10.385 -3.953 305 HB3 ARG 45 2HB ARG 45 -9.854 10.895 -5.073 306 HG2 ARG 45 1HG ARG 45 -10.565 8.621 -5.393 307 HG3 ARG 45 2HG ARG 45 -9.224 8.028 -4.411 308 HD2 ARG 45 1HD ARG 45 -11.352 9.891 -3.378 309 HD3 ARG 45 2HD ARG 45 -11.448 8.135 -3.247 310 HE ARG 45 HE ARG 45 -9.026 8.773 -2.161 311 HH11 ARG 45 1HH1 ARG 45 -12.321 9.730 -1.572 312 HH12 ARG 45 2HH1 ARG 45 -12.072 10.019 0.118 313 HH21 ARG 45 1HH2 ARG 45 -8.686 9.149 0.062 314 HH22 ARG 45 2HH2 ARG 45 -10.004 9.689 1.047 315 H GLY 46 H GLY 46 -9.115 10.983 -8.135 316 HA2 GLY 46 1HA GLY 46 -7.436 13.399 -7.974 317 HA3 GLY 46 2HA GLY 46 -8.142 12.754 -9.448 318 HA PRO 47 HA PRO 47 -10.801 16.147 -7.426 319 HB2 PRO 47 1HB PRO 47 -10.211 18.179 -9.127 320 HB3 PRO 47 2HB PRO 47 -9.311 17.883 -7.635 321 HG2 PRO 47 1HG PRO 47 -8.619 17.123 -10.446 322 HG3 PRO 47 2HG PRO 47 -7.575 17.794 -9.180 323 HD2 PRO 47 1HD PRO 47 -7.607 15.158 -9.796 324 HD3 PRO 47 2HD PRO 47 -7.296 15.750 -8.152 325 H ASP 48 H ASP 48 -10.501 14.374 -10.191 326 HA ASP 48 HA ASP 48 -12.628 15.654 -11.697 327 HB2 ASP 48 1HB ASP 48 -10.636 14.554 -12.786 328 HB3 ASP 48 2HB ASP 48 -11.291 13.004 -12.263 329 H GLY 49 H GLY 49 -12.139 12.835 -9.654 330 HA2 GLY 49 1HA GLY 49 -14.278 12.329 -8.379 331 HA3 GLY 49 2HA GLY 49 -14.996 12.164 -9.975 332 H LYS 50 H LYS 50 -12.401 10.944 -10.935 333 HA LYS 50 HA LYS 50 -12.878 8.257 -9.827 334 HB2 LYS 50 1HB LYS 50 -11.912 9.061 -12.577 335 HB3 LYS 50 2HB LYS 50 -12.046 7.403 -12.007 336 HG2 LYS 50 1HG LYS 50 -14.535 8.129 -11.534 337 HG3 LYS 50 2HG LYS 50 -14.173 9.324 -12.781 338 HD2 LYS 50 1HD LYS 50 -14.995 7.559 -14.028 339 HD3 LYS 50 2HD LYS 50 -13.254 7.278 -14.100 340 HE2 LYS 50 1HE LYS 50 -13.706 5.840 -11.960 341 HE3 LYS 50 2HE LYS 50 -15.359 5.812 -12.571 342 HZ1 LYS 50 3HZ LYS 50 -13.808 5.230 -14.747 343 HZ2 LYS 50 1HZ LYS 50 -14.707 4.125 -13.834 344 HZ3 LYS 50 2HZ LYS 50 -13.072 4.376 -13.486 345 H LEU 51 H LEU 51 -11.112 6.908 -9.407 346 HA LEU 51 HA LEU 51 -8.589 8.348 -8.997 347 HB2 LEU 51 1HB LEU 51 -8.073 6.300 -7.559 348 HB3 LEU 51 2HB LEU 51 -9.275 7.446 -6.969 349 HG LEU 51 HG LEU 51 -11.051 5.903 -7.799 350 HD11 LEU 51 1HD1 LEU 51 -8.663 4.419 -8.689 351 HD12 LEU 51 2HD1 LEU 51 -10.291 4.468 -9.364 352 HD13 LEU 51 3HD1 LEU 51 -9.950 3.460 -7.958 353 HD21 LEU 51 3HD2 LEU 51 -10.342 4.050 -6.041 354 HD22 LEU 51 1HD2 LEU 51 -10.834 5.669 -5.544 355 HD23 LEU 51 2HD2 LEU 51 -9.121 5.258 -5.637 356 H GLN 52 H GLN 52 -6.723 7.739 -9.954 357 HA GLN 52 HA GLN 52 -6.500 5.169 -11.276 358 HB2 GLN 52 1HB GLN 52 -5.658 6.539 -13.376 359 HB3 GLN 52 2HB GLN 52 -7.355 6.121 -13.177 360 HG2 GLN 52 1HG GLN 52 -7.867 8.314 -12.371 361 HG3 GLN 52 2HG GLN 52 -6.159 8.748 -12.333 362 HE21 GLN 52 1HE2 GLN 52 -5.057 8.384 -14.538 363 HE22 GLN 52 2HE2 GLN 52 -5.911 9.009 -15.903 364 H TRP 53 H TRP 53 -4.667 4.523 -10.333 365 HA TRP 53 HA TRP 53 -2.243 6.026 -10.850 366 HB2 TRP 53 1HB TRP 53 -3.132 6.881 -8.656 367 HB3 TRP 53 2HB TRP 53 -2.932 5.254 -8.010 368 HD1 TRP 53 HD TRP 53 -0.315 6.852 -10.317 369 HE1 TRP 53 1HE TRP 53 1.863 7.170 -8.982 370 HE3 TRP 53 3HE TRP 53 -2.007 5.534 -5.676 371 HZ2 TRP 53 2HZ TRP 53 2.747 6.897 -6.315 372 HZ3 TRP 53 3HZ TRP 53 -0.431 5.588 -3.787 373 HH2 TRP 53 HH TRP 53 1.896 6.255 -4.102 374 H GLU 54 H GLU 54 -0.852 4.596 -11.629 375 HA GLU 54 HA GLU 54 -1.049 1.801 -10.739 376 HB2 GLU 54 1HB GLU 54 -1.298 2.431 -13.210 377 HB3 GLU 54 2HB GLU 54 0.426 2.772 -13.178 378 HG2 GLU 54 1HG GLU 54 0.877 0.471 -12.515 379 HG3 GLU 54 2HG GLU 54 -0.851 0.125 -12.528 380 H GLU 55 H GLU 55 0.271 1.608 -9.012 381 HA GLU 55 HA GLU 55 3.118 2.132 -9.460 382 HB2 GLU 55 1HB GLU 55 1.412 3.278 -7.301 383 HB3 GLU 55 2HB GLU 55 3.051 2.796 -6.887 384 HG2 GLU 55 1HG GLU 55 2.179 4.849 -8.896 385 HG3 GLU 55 2HG GLU 55 3.126 5.091 -7.429 386 H GLU 56 H GLU 56 3.984 0.166 -9.362 387 HA GLU 56 HA GLU 56 2.851 -1.920 -7.733 388 HB2 GLU 56 1HB GLU 56 4.976 -1.707 -9.783 389 HB3 GLU 56 2HB GLU 56 5.187 -2.976 -8.584 390 HG2 GLU 56 1HG GLU 56 3.336 -4.136 -9.280 391 HG3 GLU 56 2HG GLU 56 2.559 -2.706 -9.955 392 H ALA 57 H ALA 57 3.637 -2.773 -5.862 393 HA ALA 57 HA ALA 57 5.881 -1.328 -4.610 394 HB1 ALA 57 3HB ALA 57 4.518 -2.539 -2.547 395 HB2 ALA 57 1HB ALA 57 4.385 -0.847 -3.027 396 HB3 ALA 57 2HB ALA 57 3.231 -2.031 -3.640 397 H THR 58 H THR 58 7.599 -2.455 -3.921 398 HA THR 58 HA THR 58 8.004 -5.118 -4.719 399 HB THR 58 HB THR 58 9.548 -3.606 -2.604 400 HG1 THR 58 1HG THR 58 10.942 -3.320 -4.616 401 HG21 THR 58 3HG2 THR 58 9.972 -6.050 -2.716 402 HG22 THR 58 1HG2 THR 58 11.379 -5.084 -3.158 403 HG23 THR 58 2HG2 THR 58 10.415 -5.864 -4.412 404 H VAL 59 H VAL 59 7.640 -7.025 -3.759 405 HA VAL 59 HA VAL 59 6.823 -7.023 -0.928 406 HB VAL 59 HB VAL 59 5.627 -8.699 -3.139 407 HG11 VAL 59 1HG1 VAL 59 3.987 -9.180 -1.148 408 HG12 VAL 59 2HG1 VAL 59 5.478 -10.106 -1.331 409 HG13 VAL 59 3HG1 VAL 59 5.398 -8.782 -0.169 410 HG21 VAL 59 3HG2 VAL 59 4.697 -6.563 -3.363 411 HG22 VAL 59 1HG2 VAL 59 3.527 -7.445 -2.380 412 HG23 VAL 59 2HG2 VAL 59 4.639 -6.307 -1.619 413 H ASN 60 H ASN 60 8.247 -8.118 0.239 414 HA ASN 60 HA ASN 60 9.998 -10.066 -0.988 415 HB2 ASN 60 1HB ASN 60 9.820 -8.776 1.714 416 HB3 ASN 60 2HB ASN 60 10.797 -10.225 1.500 417 HD21 ASN 60 1HD2 ASN 60 12.545 -8.790 2.133 418 HD22 ASN 60 2HD2 ASN 60 13.308 -7.817 0.927 419 H ARG 61 H ARG 61 9.519 -12.145 -1.155 420 HA ARG 61 HA ARG 61 7.285 -13.272 0.278 421 HB2 ARG 61 1HB ARG 61 9.176 -14.305 -1.819 422 HB3 ARG 61 2HB ARG 61 8.068 -15.387 -0.986 423 HG2 ARG 61 1HG ARG 61 6.822 -14.864 -2.819 424 HG3 ARG 61 2HG ARG 61 6.290 -13.594 -1.715 425 HD2 ARG 61 1HD ARG 61 6.755 -12.319 -3.545 426 HD3 ARG 61 2HD ARG 61 8.345 -12.313 -2.782 427 HE ARG 61 HE ARG 61 8.014 -14.480 -4.620 428 HH11 ARG 61 1HH1 ARG 61 8.772 -11.092 -4.353 429 HH12 ARG 61 2HH1 ARG 61 9.689 -11.048 -5.823 430 HH21 ARG 61 1HH2 ARG 61 9.219 -14.434 -6.556 431 HH22 ARG 61 2HH2 ARG 61 9.942 -12.950 -7.075 432 H LEU 62 H LEU 62 10.773 -13.382 0.445 433 HA LEU 62 HA LEU 62 10.953 -15.647 2.160 434 HB2 LEU 62 1HB LEU 62 12.788 -13.509 1.228 435 HB3 LEU 62 2HB LEU 62 13.239 -14.395 2.683 436 HG LEU 62 HG LEU 62 12.662 -15.684 0.018 437 HD11 LEU 62 1HD1 LEU 62 14.652 -14.894 -0.599 438 HD12 LEU 62 2HD1 LEU 62 15.336 -16.020 0.572 439 HD13 LEU 62 3HD1 LEU 62 15.036 -14.344 1.032 440 HD21 LEU 62 3HD2 LEU 62 13.351 -16.668 2.722 441 HD22 LEU 62 1HD2 LEU 62 14.156 -17.445 1.358 442 HD23 LEU 62 2HD2 LEU 62 12.394 -17.422 1.446 443 H GLN 63 H GLN 63 10.448 -12.236 2.659 444 HA GLN 63 HA GLN 63 10.835 -12.482 5.539 445 HB2 GLN 63 1HB GLN 63 10.147 -10.097 3.814 446 HB3 GLN 63 2HB GLN 63 10.386 -10.034 5.555 447 HG2 GLN 63 1HG GLN 63 12.465 -10.897 3.557 448 HG3 GLN 63 2HG GLN 63 12.352 -9.292 4.280 449 HE21 GLN 63 1HE2 GLN 63 13.054 -8.970 6.342 450 HE22 GLN 63 2HE2 GLN 63 13.876 -10.173 7.271 451 H SER 64 H SER 64 8.270 -11.775 3.205 452 HA SER 64 HA SER 64 6.211 -11.253 5.024 453 HB2 SER 64 1HB SER 64 4.682 -11.707 3.185 454 HB3 SER 64 2HB SER 64 6.078 -10.815 2.581 455 HG SER 64 HG SER 64 6.180 -13.605 2.521 456 H ASN 65 H ASN 65 4.555 -12.546 5.869 457 HA ASN 65 HA ASN 65 5.171 -15.427 5.955 458 HB2 ASN 65 1HB ASN 65 3.766 -13.901 8.147 459 HB3 ASN 65 2HB ASN 65 4.472 -15.513 8.226 460 HD21 ASN 65 1HD2 ASN 65 5.115 -13.712 10.123 461 HD22 ASN 65 2HD2 ASN 65 6.749 -13.184 9.928 462 H GLU 66 H GLU 66 3.012 -16.504 7.043 463 HA GLU 66 HA GLU 66 1.043 -16.260 4.966 464 HB2 GLU 66 1HB GLU 66 0.115 -18.220 5.797 465 HB3 GLU 66 2HB GLU 66 1.810 -18.393 6.231 466 HG2 GLU 66 1HG GLU 66 1.369 -17.786 8.494 467 HG3 GLU 66 2HG GLU 66 -0.293 -17.343 8.106 468 H VAL 67 H VAL 67 1.559 -14.735 7.929 469 HA VAL 67 HA VAL 67 -1.238 -13.806 7.981 470 HB VAL 67 HB VAL 67 -0.975 -13.481 10.443 471 HG11 VAL 67 1HG1 VAL 67 -1.549 -15.815 9.002 472 HG12 VAL 67 2HG1 VAL 67 -0.571 -16.324 10.379 473 HG13 VAL 67 3HG1 VAL 67 -2.057 -15.411 10.641 474 HG21 VAL 67 3HG2 VAL 67 1.668 -13.802 10.036 475 HG22 VAL 67 1HG2 VAL 67 0.883 -14.048 11.596 476 HG23 VAL 67 2HG2 VAL 67 1.237 -15.430 10.558 477 H THR 68 H THR 68 1.809 -12.937 7.273 478 HA THR 68 HA THR 68 1.262 -10.118 7.853 479 HB THR 68 HB THR 68 3.926 -11.444 8.395 480 HG1 THR 68 1HG THR 68 1.955 -11.522 9.941 481 HG21 THR 68 3HG2 THR 68 4.335 -9.243 7.580 482 HG22 THR 68 1HG2 THR 68 4.485 -9.172 9.335 483 HG23 THR 68 2HG2 THR 68 3.024 -8.571 8.550 484 H LEU 69 H LEU 69 1.883 -8.720 6.271 485 HA LEU 69 HA LEU 69 3.204 -9.904 3.918 486 HB2 LEU 69 1HB LEU 69 0.927 -8.024 4.217 487 HB3 LEU 69 2HB LEU 69 2.008 -7.787 2.845 488 HG LEU 69 HG LEU 69 0.488 -10.324 3.443 489 HD11 LEU 69 1HD1 LEU 69 -1.208 -8.989 2.725 490 HD12 LEU 69 2HD1 LEU 69 -0.568 -9.492 1.161 491 HD13 LEU 69 3HD1 LEU 69 -0.136 -7.917 1.825 492 HD21 LEU 69 3HD2 LEU 69 1.163 -10.828 1.059 493 HD22 LEU 69 1HD2 LEU 69 2.453 -10.895 2.261 494 HD23 LEU 69 2HD2 LEU 69 2.311 -9.494 1.198 495 H THR 70 H THR 70 5.286 -9.317 4.029 496 HA THR 70 HA THR 70 6.022 -6.656 4.952 497 HB THR 70 HB THR 70 7.746 -8.992 4.105 498 HG1 THR 70 1HG THR 70 7.390 -9.599 6.093 499 HG21 THR 70 3HG2 THR 70 9.513 -7.592 5.353 500 HG22 THR 70 1HG2 THR 70 8.420 -6.235 5.082 501 HG23 THR 70 2HG2 THR 70 9.087 -7.118 3.709 502 H LEU 71 H LEU 71 5.991 -5.040 3.540 503 HA LEU 71 HA LEU 71 7.193 -5.449 0.903 504 HB2 LEU 71 1HB LEU 71 5.425 -4.487 -0.285 505 HB3 LEU 71 2HB LEU 71 4.663 -5.629 0.820 506 HG LEU 71 HG LEU 71 4.854 -2.698 1.453 507 HD11 LEU 71 1HD1 LEU 71 2.831 -4.143 -0.228 508 HD12 LEU 71 2HD1 LEU 71 3.698 -2.648 -0.583 509 HD13 LEU 71 3HD1 LEU 71 2.436 -2.664 0.649 510 HD21 LEU 71 3HD2 LEU 71 4.089 -3.536 3.384 511 HD22 LEU 71 1HD2 LEU 71 3.648 -5.079 2.652 512 HD23 LEU 71 2HD2 LEU 71 2.555 -3.700 2.528 513 H THR 72 H THR 72 7.487 -3.271 -0.227 514 HA THR 72 HA THR 72 8.373 -1.306 1.780 515 HB THR 72 HB THR 72 9.423 -1.748 -1.022 516 HG1 THR 72 1HG THR 72 10.435 -2.398 1.557 517 HG21 THR 72 3HG2 THR 72 10.318 0.147 1.152 518 HG22 THR 72 1HG2 THR 72 9.587 0.591 -0.389 519 HG23 THR 72 2HG2 THR 72 11.186 -0.151 -0.353 520 H VAL 73 H VAL 73 7.511 0.673 1.769 521 HA VAL 73 HA VAL 73 5.240 1.367 0.378 522 HB VAL 73 HB VAL 73 7.346 3.254 1.443 523 HG11 VAL 73 1HG1 VAL 73 5.375 3.986 -0.207 524 HG12 VAL 73 2HG1 VAL 73 4.491 4.021 1.320 525 HG13 VAL 73 3HG1 VAL 73 5.942 5.004 1.117 526 HG21 VAL 73 3HG2 VAL 73 6.355 1.568 3.046 527 HG22 VAL 73 1HG2 VAL 73 6.155 3.264 3.488 528 HG23 VAL 73 2HG2 VAL 73 4.805 2.369 2.791 529 HA PRO 74 HA PRO 74 6.699 2.133 -3.734 530 HB2 PRO 74 1HB PRO 74 4.425 3.269 -4.684 531 HB3 PRO 74 2HB PRO 74 4.591 1.529 -4.418 532 HG2 PRO 74 1HG PRO 74 3.294 3.595 -2.683 533 HG3 PRO 74 2HG PRO 74 2.729 1.966 -3.095 534 HD2 PRO 74 1HD PRO 74 3.932 2.538 -0.738 535 HD3 PRO 74 2HD PRO 74 4.098 0.961 -1.536 536 H GLU 75 H GLU 75 6.830 3.995 -5.266 537 HA GLU 75 HA GLU 75 7.482 6.419 -3.778 538 HB2 GLU 75 1HB GLU 75 8.220 5.350 -6.479 539 HB3 GLU 75 2HB GLU 75 8.405 7.064 -6.135 540 HG2 GLU 75 1HG GLU 75 10.046 6.704 -4.545 541 HG3 GLU 75 2HG GLU 75 9.575 5.024 -4.295 542 H TYR 76 H TYR 76 6.148 8.092 -3.722 543 HA TYR 76 HA TYR 76 3.690 8.161 -5.085 544 HB2 TYR 76 1HB TYR 76 4.429 9.372 -2.911 545 HB3 TYR 76 2HB TYR 76 5.006 10.633 -3.995 546 HD1 TYR 76 1HD TYR 76 1.939 8.519 -4.187 547 HD2 TYR 76 2HD TYR 76 3.556 12.426 -3.716 548 HE1 TYR 76 1HE TYR 76 -0.330 9.464 -4.286 549 HE2 TYR 76 2HE TYR 76 1.292 13.381 -3.812 550 HH TYR 76 HH TYR 76 -1.570 11.310 -4.000 551 H SER 77 H SER 77 3.005 10.111 -6.429 552 HA SER 77 HA SER 77 4.778 10.251 -8.719 553 HB2 SER 77 1HB SER 77 2.488 9.838 -9.251 554 HB3 SER 77 2HB SER 77 1.942 11.180 -8.245 555 HG SER 77 HG SER 77 3.718 11.768 -10.308 556 H ASN 78 H ASN 78 3.368 12.430 -6.327 557 HA ASN 78 HA ASN 78 5.041 14.608 -7.385 558 HB2 ASN 78 1HB ASN 78 2.425 14.771 -7.061 559 HB3 ASN 78 2HB ASN 78 2.868 15.091 -5.387 560 HD21 ASN 78 1HD2 ASN 78 1.547 16.973 -6.831 561 HD22 ASN 78 2HD2 ASN 78 2.595 18.305 -7.168 562 H LYS 79 H LYS 79 6.961 14.367 -6.359 563 HA LYS 79 HA LYS 79 7.039 13.853 -3.497 564 HB2 LYS 79 1HB LYS 79 9.112 14.001 -5.665 565 HB3 LYS 79 2HB LYS 79 9.585 14.041 -3.971 566 HG2 LYS 79 1HG LYS 79 8.351 11.890 -3.662 567 HG3 LYS 79 2HG LYS 79 8.129 11.838 -5.412 568 HD2 LYS 79 1HD LYS 79 10.712 12.152 -5.478 569 HD3 LYS 79 2HD LYS 79 10.643 11.582 -3.808 570 HE2 LYS 79 1HE LYS 79 10.018 10.143 -6.342 571 HE3 LYS 79 2HE LYS 79 10.938 9.603 -4.938 572 HZ1 LYS 79 3HZ LYS 79 9.103 8.495 -4.390 573 HZ2 LYS 79 1HZ LYS 79 8.140 9.339 -5.495 574 HZ3 LYS 79 2HZ LYS 79 8.431 9.986 -3.960 575 H ARG 80 H ARG 80 7.764 16.437 -5.779 576 HA ARG 80 HA ARG 80 8.818 18.193 -3.758 577 HB2 ARG 80 1HB ARG 80 8.822 19.881 -5.565 578 HB3 ARG 80 2HB ARG 80 9.629 18.391 -6.034 579 HG2 ARG 80 1HG ARG 80 7.893 17.759 -7.459 580 HG3 ARG 80 2HG ARG 80 6.757 18.890 -6.722 581 HD2 ARG 80 1HD ARG 80 7.308 19.938 -8.716 582 HD3 ARG 80 2HD ARG 80 8.387 20.710 -7.556 583 HE ARG 80 HE ARG 80 9.666 18.480 -8.713 584 HH11 ARG 80 1HH1 ARG 80 8.624 21.712 -9.481 585 HH12 ARG 80 2HH1 ARG 80 9.844 21.960 -10.685 586 HH21 ARG 80 1HH2 ARG 80 11.278 18.795 -10.296 587 HH22 ARG 80 2HH2 ARG 80 11.353 20.299 -11.149 588 H VAL 81 H VAL 81 6.474 17.408 -2.760 589 HA VAL 81 HA VAL 81 4.545 19.550 -3.337 590 HB VAL 81 HB VAL 81 2.988 18.131 -1.913 591 HG11 VAL 81 1HG1 VAL 81 2.545 16.539 -3.768 592 HG12 VAL 81 2HG1 VAL 81 2.746 18.208 -4.304 593 HG13 VAL 81 3HG1 VAL 81 4.059 17.049 -4.516 594 HG21 VAL 81 3HG2 VAL 81 3.562 15.759 -1.695 595 HG22 VAL 81 1HG2 VAL 81 5.164 16.088 -2.356 596 HG23 VAL 81 2HG2 VAL 81 4.691 16.781 -0.805 597 H SER 82 H SER 82 3.853 20.946 -1.769 598 HA SER 82 HA SER 82 5.500 21.063 0.641 599 HB2 SER 82 1HB SER 82 3.929 23.036 -0.942 600 HB3 SER 82 2HB SER 82 4.097 23.335 0.788 601 HG SER 82 HG SER 82 6.469 22.794 0.193 602 H ARG 83 H ARG 83 3.043 19.297 0.086 603 HA ARG 83 HA ARG 83 1.942 19.545 2.739 604 HB2 ARG 83 1HB ARG 83 -0.337 19.886 2.136 605 HB3 ARG 83 2HB ARG 83 0.595 21.140 1.331 606 HG2 ARG 83 1HG ARG 83 0.591 19.375 -0.637 607 HG3 ARG 83 2HG ARG 83 -0.872 18.833 0.187 608 HD2 ARG 83 1HD ARG 83 -1.685 21.197 0.116 609 HD3 ARG 83 2HD ARG 83 -0.291 21.585 -0.892 610 HE ARG 83 HE ARG 83 -1.423 20.714 -2.662 611 HH11 ARG 83 1HH1 ARG 83 -2.724 19.335 0.258 612 HH12 ARG 83 2HH1 ARG 83 -3.971 18.452 -0.559 613 HH21 ARG 83 1HH2 ARG 83 -3.061 19.557 -3.749 614 HH22 ARG 83 2HH2 ARG 83 -4.161 18.579 -2.839 615 HA PRO 84 HA PRO 84 1.632 15.186 2.294 616 HB2 PRO 84 1HB PRO 84 -0.313 14.642 4.109 617 HB3 PRO 84 2HB PRO 84 1.328 15.108 4.571 618 HG2 PRO 84 1HG PRO 84 -1.148 16.785 4.429 619 HG3 PRO 84 2HG PRO 84 0.113 16.755 5.675 620 HD2 PRO 84 1HD PRO 84 0.012 18.657 3.751 621 HD3 PRO 84 2HD PRO 84 1.541 18.077 4.440 622 H VAL 85 H VAL 85 0.131 13.431 1.753 623 HA VAL 85 HA VAL 85 -2.389 14.309 0.534 624 HB VAL 85 HB VAL 85 -0.417 12.525 -0.897 625 HG11 VAL 85 1HG1 VAL 85 -2.139 13.381 -2.779 626 HG12 VAL 85 2HG1 VAL 85 -2.353 11.885 -1.868 627 HG13 VAL 85 3HG1 VAL 85 -3.208 13.348 -1.377 628 HG21 VAL 85 3HG2 VAL 85 -0.842 14.862 -2.375 629 HG22 VAL 85 1HG2 VAL 85 -0.549 15.394 -0.720 630 HG23 VAL 85 2HG2 VAL 85 0.634 14.377 -1.542 631 H GLN 86 H GLN 86 -4.036 12.874 0.705 632 HA GLN 86 HA GLN 86 -3.529 10.487 2.299 633 HB2 GLN 86 1HB GLN 86 -5.340 12.083 2.925 634 HB3 GLN 86 2HB GLN 86 -6.170 11.670 1.431 635 HG2 GLN 86 1HG GLN 86 -5.555 9.807 3.712 636 HG3 GLN 86 2HG GLN 86 -7.133 10.465 3.282 637 HE21 GLN 86 1HE2 GLN 86 -5.934 7.686 3.418 638 HE22 GLN 86 2HE2 GLN 86 -6.363 6.971 1.905 639 H VAL 87 H VAL 87 -3.324 8.555 1.401 640 HA VAL 87 HA VAL 87 -4.693 8.026 -1.152 641 HB VAL 87 HB VAL 87 -2.796 6.665 -1.886 642 HG11 VAL 87 1HG1 VAL 87 -2.849 8.935 -2.652 643 HG12 VAL 87 2HG1 VAL 87 -2.115 9.508 -1.153 644 HG13 VAL 87 3HG1 VAL 87 -1.178 8.518 -2.273 645 HG21 VAL 87 3HG2 VAL 87 -2.053 6.302 0.575 646 HG22 VAL 87 1HG2 VAL 87 -0.831 6.378 -0.695 647 HG23 VAL 87 2HG2 VAL 87 -1.126 7.782 0.331 648 H TYR 88 H TYR 88 -4.664 5.567 -1.606 649 HA TYR 88 HA TYR 88 -5.047 4.056 0.884 650 HB2 TYR 88 1HB TYR 88 -7.004 4.458 -1.349 651 HB3 TYR 88 2HB TYR 88 -7.023 2.954 -0.435 652 HD1 TYR 88 2HD TYR 88 -7.584 6.580 -0.271 653 HD2 TYR 88 1HD TYR 88 -7.777 2.899 1.855 654 HE1 TYR 88 2HE TYR 88 -8.935 7.665 1.474 655 HE2 TYR 88 1HE TYR 88 -9.130 3.974 3.605 656 HH TYR 88 HH TYR 88 -10.301 7.267 3.258 657 H PHE 89 H PHE 89 -5.201 1.672 0.466 658 HA PHE 89 HA PHE 89 -4.008 0.719 -1.992 659 HB2 PHE 89 1HB PHE 89 -2.138 -0.429 -0.800 660 HB3 PHE 89 2HB PHE 89 -2.002 1.326 -0.794 661 HD1 PHE 89 2HD PHE 89 -3.020 -1.578 1.265 662 HD2 PHE 89 1HD PHE 89 -1.852 2.515 1.213 663 HE1 PHE 89 2HE PHE 89 -2.824 -1.606 3.717 664 HE2 PHE 89 1HE PHE 89 -1.654 2.493 3.666 665 HZ PHE 89 HZ PHE 89 -2.141 0.431 4.921 666 H TYR 90 H TYR 90 -4.106 -1.571 -2.220 667 HA TYR 90 HA TYR 90 -5.582 -3.026 -0.155 668 HB2 TYR 90 1HB TYR 90 -7.168 -3.917 -1.807 669 HB3 TYR 90 2HB TYR 90 -7.291 -2.165 -1.683 670 HD1 TYR 90 2HD TYR 90 -6.333 -0.735 -3.486 671 HD2 TYR 90 1HD TYR 90 -6.554 -4.969 -3.850 672 HE1 TYR 90 2HE TYR 90 -6.016 -0.538 -5.917 673 HE2 TYR 90 1HE TYR 90 -6.236 -4.783 -6.282 674 HH TYR 90 HH TYR 90 -6.515 -1.865 -7.953 675 H VAL 91 H VAL 91 -5.761 -5.411 -0.790 676 HA VAL 91 HA VAL 91 -3.241 -6.239 -2.078 677 HB VAL 91 HB VAL 91 -4.725 -7.682 0.123 678 HG11 VAL 91 1HG1 VAL 91 -3.243 -9.382 -0.047 679 HG12 VAL 91 2HG1 VAL 91 -3.135 -8.822 -1.717 680 HG13 VAL 91 3HG1 VAL 91 -1.920 -8.324 -0.539 681 HG21 VAL 91 3HG2 VAL 91 -3.252 -5.415 0.427 682 HG22 VAL 91 1HG2 VAL 91 -3.458 -6.654 1.666 683 HG23 VAL 91 2HG2 VAL 91 -2.023 -6.662 0.640 684 H SER 92 H SER 92 -3.353 -7.622 -3.737 685 HA SER 92 HA SER 92 -5.998 -8.644 -4.482 686 HB2 SER 92 1HB SER 92 -4.822 -7.277 -6.161 687 HB3 SER 92 2HB SER 92 -3.472 -8.411 -6.138 688 HG SER 92 HG SER 92 -6.143 -9.050 -6.862 689 H ASN 93 H ASN 93 -6.454 -10.692 -4.066 690 HA ASN 93 HA ASN 93 -4.300 -12.685 -4.203 691 HB2 ASN 93 1HB ASN 93 -6.398 -12.462 -2.035 692 HB3 ASN 93 2HB ASN 93 -5.328 -13.845 -2.244 693 HD21 ASN 93 1HD2 ASN 93 -4.715 -13.317 -0.034 694 HD22 ASN 93 2HD2 ASN 93 -3.493 -12.125 0.230 695 H GLY 94 H GLY 94 -4.881 -13.701 -6.048 696 HA2 GLY 94 1HA GLY 94 -6.139 -15.606 -6.853 697 HA3 GLY 94 2HA GLY 94 -7.563 -14.926 -6.080 698 H ARG 95 H ARG 95 -8.986 -14.279 -7.541 699 HA ARG 95 HA ARG 95 -8.015 -12.742 -9.851 700 HB2 ARG 95 1HB ARG 95 -9.675 -13.849 -11.285 701 HB3 ARG 95 2HB ARG 95 -8.512 -14.997 -10.635 702 HG2 ARG 95 1HG ARG 95 -10.133 -15.711 -8.962 703 HG3 ARG 95 2HG ARG 95 -11.298 -14.542 -9.587 704 HD2 ARG 95 1HD ARG 95 -11.534 -15.703 -11.617 705 HD3 ARG 95 2HD ARG 95 -10.078 -16.657 -11.335 706 HE ARG 95 HE ARG 95 -12.019 -17.146 -9.325 707 HH11 ARG 95 1HH1 ARG 95 -11.239 -17.856 -12.643 708 HH12 ARG 95 2HH1 ARG 95 -12.086 -19.367 -12.655 709 HH21 ARG 95 1HH2 ARG 95 -13.137 -19.134 -9.329 710 HH22 ARG 95 2HH2 ARG 95 -13.166 -20.093 -10.770 711 H ARG 96 H ARG 96 -10.855 -13.648 -7.917 712 HA ARG 96 HA ARG 96 -11.884 -10.916 -8.323 713 HB2 ARG 96 1HB ARG 96 -14.169 -11.866 -8.106 714 HB3 ARG 96 2HB ARG 96 -13.308 -12.450 -9.524 715 HG2 ARG 96 1HG ARG 96 -12.657 -14.411 -7.873 716 HG3 ARG 96 2HG ARG 96 -14.148 -13.900 -7.080 717 HD2 ARG 96 1HD ARG 96 -13.931 -14.563 -10.011 718 HD3 ARG 96 2HD ARG 96 -14.441 -15.711 -8.775 719 HE ARG 96 HE ARG 96 -16.020 -13.655 -9.952 720 HH11 ARG 96 1HH1 ARG 96 -15.494 -15.425 -7.001 721 HH12 ARG 96 2HH1 ARG 96 -17.114 -15.207 -6.427 722 HH21 ARG 96 1HH2 ARG 96 -18.156 -13.361 -9.208 723 HH22 ARG 96 2HH2 ARG 96 -18.628 -14.033 -7.684 724 H LYS 97 H LYS 97 -10.141 -11.681 -6.233 725 HA LYS 97 HA LYS 97 -11.905 -11.211 -3.937 726 HB2 LYS 97 1HB LYS 97 -9.589 -13.155 -3.921 727 HB3 LYS 97 2HB LYS 97 -10.620 -12.758 -2.553 728 HG2 LYS 97 1HG LYS 97 -11.844 -13.850 -5.043 729 HG3 LYS 97 2HG LYS 97 -11.021 -14.936 -3.921 730 HD2 LYS 97 1HD LYS 97 -12.463 -14.080 -2.100 731 HD3 LYS 97 2HD LYS 97 -13.326 -13.094 -3.283 732 HE2 LYS 97 1HE LYS 97 -13.084 -16.096 -3.424 733 HE3 LYS 97 2HE LYS 97 -14.456 -15.245 -2.716 734 HZ1 LYS 97 3HZ LYS 97 -13.553 -15.087 -5.541 735 HZ2 LYS 97 1HZ LYS 97 -14.809 -14.166 -4.879 736 HZ3 LYS 97 2HZ LYS 97 -14.952 -15.848 -4.972 737 H ARG 98 H ARG 98 -11.323 -9.398 -2.956 738 HA ARG 98 HA ARG 98 -8.473 -8.738 -2.747 739 HB2 ARG 98 1HB ARG 98 -10.626 -7.095 -3.997 740 HB3 ARG 98 2HB ARG 98 -9.384 -6.266 -3.068 741 HG2 ARG 98 1HG ARG 98 -8.394 -6.200 -5.100 742 HG3 ARG 98 2HG ARG 98 -7.800 -7.776 -4.573 743 HD2 ARG 98 1HD ARG 98 -8.690 -7.787 -6.884 744 HD3 ARG 98 2HD ARG 98 -9.534 -8.899 -5.807 745 HE ARG 98 HE ARG 98 -10.926 -6.488 -5.786 746 HH11 ARG 98 1HH1 ARG 98 -10.126 -9.028 -8.029 747 HH12 ARG 98 2HH1 ARG 98 -11.554 -8.812 -8.985 748 HH21 ARG 98 1HH2 ARG 98 -12.811 -6.194 -7.038 749 HH22 ARG 98 2HH2 ARG 98 -13.080 -7.199 -8.421 750 H SER 99 H SER 99 -8.273 -6.701 -1.247 751 HA SER 99 HA SER 99 -9.982 -7.218 1.094 752 HB2 SER 99 1HB SER 99 -7.895 -5.953 2.198 753 HB3 SER 99 2HB SER 99 -7.902 -7.696 1.926 754 HG SER 99 HG SER 99 -6.129 -6.065 1.049 755 HA PRO 100 HA PRO 100 -11.476 -3.095 1.169 756 HB2 PRO 100 1HB PRO 100 -11.443 -2.496 3.816 757 HB3 PRO 100 2HB PRO 100 -12.595 -3.631 3.102 758 HG2 PRO 100 1HG PRO 100 -10.050 -4.191 4.576 759 HG3 PRO 100 2HG PRO 100 -11.623 -4.999 4.712 760 HD2 PRO 100 1HD PRO 100 -9.568 -6.040 3.288 761 HD3 PRO 100 2HD PRO 100 -11.267 -6.283 2.831 762 H THR 101 H THR 101 -10.489 -1.292 0.539 763 HA THR 101 HA THR 101 -7.818 -0.700 0.760 764 HB THR 101 HB THR 101 -8.450 1.692 0.331 765 HG1 THR 101 1HG THR 101 -10.839 1.836 -0.163 766 HG21 THR 101 3HG2 THR 101 -10.162 0.262 -1.568 767 HG22 THR 101 1HG2 THR 101 -8.578 -0.477 -1.335 768 HG23 THR 101 2HG2 THR 101 -8.700 1.206 -1.850 769 H GLN 102 H GLN 102 -6.541 0.544 2.112 770 HA GLN 102 HA GLN 102 -7.698 1.093 4.762 771 HB2 GLN 102 1HB GLN 102 -4.855 0.427 3.985 772 HB3 GLN 102 2HB GLN 102 -5.363 0.877 5.608 773 HG2 GLN 102 1HG GLN 102 -6.218 -1.556 4.060 774 HG3 GLN 102 2HG GLN 102 -5.148 -1.509 5.459 775 HE21 GLN 102 1HE2 GLN 102 -8.435 -1.137 4.350 776 HE22 GLN 102 2HE2 GLN 102 -9.185 -1.314 5.896 777 H SER 103 H SER 103 -7.454 3.070 5.688 778 HA SER 103 HA SER 103 -6.916 5.283 3.997 779 HB2 SER 103 1HB SER 103 -8.531 5.466 5.810 780 HB3 SER 103 2HB SER 103 -7.270 5.149 7.001 781 HG SER 103 HG SER 103 -6.993 7.224 6.999 782 H PHE 104 H PHE 104 -5.019 6.115 3.462 783 HA PHE 104 HA PHE 104 -2.825 6.049 5.405 784 HB2 PHE 104 1HB PHE 104 -2.729 4.182 3.590 785 HB3 PHE 104 2HB PHE 104 -2.264 5.491 2.509 786 HD1 PHE 104 2HD PHE 104 -1.279 3.513 5.434 787 HD2 PHE 104 1HD PHE 104 -0.113 6.531 2.668 788 HE1 PHE 104 2HE PHE 104 1.051 3.306 6.196 789 HE2 PHE 104 1HE PHE 104 2.219 6.328 3.425 790 HZ PHE 104 HZ PHE 104 2.804 4.715 5.192 791 H ARG 105 H ARG 105 -1.052 7.553 4.823 792 HA ARG 105 HA ARG 105 -1.690 9.655 2.936 793 HB2 ARG 105 1HB ARG 105 -2.890 10.199 5.111 794 HB3 ARG 105 2HB ARG 105 -1.299 10.393 5.833 795 HG2 ARG 105 1HG ARG 105 -0.824 12.105 4.047 796 HG3 ARG 105 2HG ARG 105 -2.537 12.019 3.632 797 HD2 ARG 105 1HD ARG 105 -2.821 12.404 6.229 798 HD3 ARG 105 2HD ARG 105 -1.217 13.116 6.062 799 HE ARG 105 HE ARG 105 -2.139 14.874 4.897 800 HH11 ARG 105 1HH1 ARG 105 -4.498 12.344 5.290 801 HH12 ARG 105 2HH1 ARG 105 -5.823 13.315 4.739 802 HH21 ARG 105 1HH2 ARG 105 -3.875 16.162 4.169 803 HH22 ARG 105 2HH2 ARG 105 -5.467 15.486 4.101 804 H PHE 106 H PHE 106 0.099 10.698 2.198 805 HA PHE 106 HA PHE 106 2.667 9.744 3.235 806 HB2 PHE 106 1HB PHE 106 1.983 11.119 0.628 807 HB3 PHE 106 2HB PHE 106 3.593 10.575 1.089 808 HD1 PHE 106 1HD PHE 106 3.113 7.960 2.241 809 HD2 PHE 106 2HD PHE 106 1.311 9.808 -1.144 810 HE1 PHE 106 1HE PHE 106 2.638 5.742 1.288 811 HE2 PHE 106 2HE PHE 106 0.833 7.593 -2.102 812 HZ PHE 106 HZ PHE 106 1.495 5.557 -0.886 813 H LEU 107 H LEU 107 4.084 11.050 4.221 814 HA LEU 107 HA LEU 107 3.333 13.856 4.569 815 HB2 LEU 107 1HB LEU 107 5.478 12.327 6.024 816 HB3 LEU 107 2HB LEU 107 4.762 13.872 6.479 817 HG LEU 107 HG LEU 107 3.203 11.296 6.414 818 HD11 LEU 107 1HD1 LEU 107 3.752 12.207 9.060 819 HD12 LEU 107 2HD1 LEU 107 5.274 11.985 8.199 820 HD13 LEU 107 3HD1 LEU 107 4.127 10.651 8.320 821 HD21 LEU 107 3HD2 LEU 107 2.550 13.624 8.137 822 HD22 LEU 107 1HD2 LEU 107 1.484 12.458 7.352 823 HD23 LEU 107 2HD2 LEU 107 2.218 13.756 6.409 824 HA PRO 108 HA PRO 108 6.519 15.264 1.870 825 HB2 PRO 108 1HB PRO 108 6.755 17.801 2.807 826 HB3 PRO 108 2HB PRO 108 5.386 17.262 1.828 827 HG2 PRO 108 1HG PRO 108 5.579 17.585 4.797 828 HG3 PRO 108 2HG PRO 108 4.258 18.041 3.706 829 HD2 PRO 108 1HD PRO 108 4.196 15.787 5.206 830 HD3 PRO 108 2HD PRO 108 3.428 15.893 3.608 831 H VAL 109 H VAL 109 8.690 15.190 1.871 832 HA VAL 109 HA VAL 109 10.061 14.971 4.432 833 HB VAL 109 HB VAL 109 11.159 14.551 1.648 834 HG11 VAL 109 1HG1 VAL 109 12.394 13.212 3.950 835 HG12 VAL 109 2HG1 VAL 109 13.139 14.012 2.565 836 HG13 VAL 109 3HG1 VAL 109 12.566 14.967 3.933 837 HG21 VAL 109 3HG2 VAL 109 10.122 12.588 1.609 838 HG22 VAL 109 1HG2 VAL 109 10.914 12.133 3.118 839 HG23 VAL 109 2HG2 VAL 109 9.356 12.957 3.154 840 H ILE 110 H ILE 110 9.901 17.071 1.637 841 HA ILE 110 HA ILE 110 12.102 18.576 1.627 842 HB ILE 110 HB ILE 110 9.295 19.689 1.700 843 HG12 ILE 110 1HG1 ILE 110 10.974 19.297 -0.756 844 HG13 ILE 110 2HG1 ILE 110 10.079 17.941 -0.079 845 HG21 ILE 110 1HG2 ILE 110 10.116 21.703 0.794 846 HG22 ILE 110 2HG2 ILE 110 11.180 21.326 2.148 847 HG23 ILE 110 3HG2 ILE 110 11.711 21.011 0.497 848 HD11 ILE 110 3HD1 ILE 110 8.067 19.590 -0.176 849 HD12 ILE 110 1HD1 ILE 110 9.068 20.430 -1.360 850 HD13 ILE 110 2HD1 ILE 110 8.602 18.750 -1.631 851 H CYS 111 H CYS 111 9.622 18.726 4.140 852 HA CYS 111 HA CYS 111 11.561 20.058 5.885 853 HB2 CYS 111 1HB CYS 111 9.770 21.630 4.766 854 HB3 CYS 111 2HB CYS 111 8.707 20.950 5.992 855 HG CYS 111 HG CYS 111 9.418 23.260 7.155 856 H LYS 112 H LYS 112 11.534 19.365 7.961 857 HA LYS 112 HA LYS 112 9.516 17.332 8.645 858 HB2 LYS 112 1HB LYS 112 12.400 17.642 9.463 859 HB3 LYS 112 2HB LYS 112 11.292 16.585 10.327 860 HG2 LYS 112 1HG LYS 112 10.958 15.235 8.381 861 HG3 LYS 112 2HG LYS 112 11.874 16.366 7.382 862 HD2 LYS 112 1HD LYS 112 13.375 14.622 7.832 863 HD3 LYS 112 2HD LYS 112 13.829 15.900 8.962 864 HE2 LYS 112 1HE LYS 112 13.801 14.110 10.382 865 HE3 LYS 112 2HE LYS 112 12.127 14.641 10.533 866 HZ1 LYS 112 3HZ LYS 112 13.174 12.380 8.930 867 HZ2 LYS 112 1HZ LYS 112 11.610 12.993 8.731 868 HZ3 LYS 112 2HZ LYS 112 12.073 12.323 10.213 869 H GLU 113 H GLU 113 7.999 18.148 9.932 870 HA GLU 113 HA GLU 113 8.602 20.338 11.737 871 HB2 GLU 113 1HB GLU 113 6.462 20.049 10.306 872 HB3 GLU 113 2HB GLU 113 5.956 18.925 11.559 873 HG2 GLU 113 1HG GLU 113 6.284 20.749 13.226 874 HG3 GLU 113 2HG GLU 113 6.578 21.849 11.880 875 H GLU 114 H GLU 114 9.989 18.028 12.411 876 HA GLU 114 HA GLU 114 8.687 16.445 14.358 877 HB2 GLU 114 1HB GLU 114 10.975 16.129 13.084 878 HB3 GLU 114 2HB GLU 114 11.629 16.955 14.491 879 HG2 GLU 114 1HG GLU 114 9.866 14.546 14.753 880 HG3 GLU 114 2HG GLU 114 11.607 14.410 14.513 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -10.314 -18.238 9.958 2 HA2 GLY 1 1HA GLY 1 -11.065 -17.047 12.554 3 HA3 GLY 1 2HA GLY 1 -12.084 -17.026 11.122 4 H SER 2 H SER 2 -13.405 -18.735 10.690 5 HA SER 2 HA SER 2 -13.585 -20.758 12.803 6 HB2 SER 2 1HB SER 2 -15.581 -19.956 10.671 7 HB3 SER 2 2HB SER 2 -15.861 -21.174 11.915 8 HG SER 2 HG SER 2 -16.663 -19.413 12.845 9 H SER 3 H SER 3 -13.869 -22.976 12.297 10 HA SER 3 HA SER 3 -12.222 -23.869 10.142 11 HB2 SER 3 1HB SER 3 -12.407 -25.010 12.376 12 HB3 SER 3 2HB SER 3 -14.017 -25.551 11.903 13 HG SER 3 HG SER 3 -11.764 -26.063 10.284 14 H GLY 4 H GLY 4 -13.245 -23.154 8.246 15 HA2 GLY 4 1HA GLY 4 -15.325 -24.952 7.307 16 HA3 GLY 4 2HA GLY 4 -15.775 -23.255 7.377 17 H SER 5 H SER 5 -15.991 -22.908 5.204 18 HA SER 5 HA SER 5 -13.575 -23.310 3.565 19 HB2 SER 5 1HB SER 5 -15.147 -23.239 1.608 20 HB3 SER 5 2HB SER 5 -15.407 -24.608 2.688 21 HG SER 5 HG SER 5 -16.871 -22.180 2.797 22 H SER 6 H SER 6 -12.489 -21.431 3.648 23 HA SER 6 HA SER 6 -13.555 -19.143 2.326 24 HB2 SER 6 1HB SER 6 -13.499 -17.562 4.170 25 HB3 SER 6 2HB SER 6 -14.603 -18.877 4.570 26 HG SER 6 HG SER 6 -11.952 -18.497 5.500 27 H GLY 7 H GLY 7 -11.960 -17.721 1.680 28 HA2 GLY 7 1HA GLY 7 -9.280 -17.985 2.794 29 HA3 GLY 7 2HA GLY 7 -9.471 -18.469 1.115 30 H LEU 8 H LEU 8 -10.681 -15.751 3.084 31 HA LEU 8 HA LEU 8 -9.871 -13.943 0.917 32 HB2 LEU 8 1HB LEU 8 -11.711 -13.377 3.234 33 HB3 LEU 8 2HB LEU 8 -11.436 -12.356 1.824 34 HG LEU 8 HG LEU 8 -12.523 -15.096 1.397 35 HD11 LEU 8 1HD1 LEU 8 -14.829 -13.966 1.624 36 HD12 LEU 8 2HD1 LEU 8 -13.990 -12.810 2.658 37 HD13 LEU 8 3HD1 LEU 8 -14.010 -14.521 3.084 38 HD21 LEU 8 3HD2 LEU 8 -12.976 -14.300 -0.635 39 HD22 LEU 8 1HD2 LEU 8 -11.965 -12.920 -0.206 40 HD23 LEU 8 2HD2 LEU 8 -13.712 -12.834 0.015 41 HA PRO 9 HA PRO 9 -6.589 -12.329 3.375 42 HB2 PRO 9 1HB PRO 9 -6.284 -9.936 2.129 43 HB3 PRO 9 2HB PRO 9 -5.755 -11.465 1.416 44 HG2 PRO 9 1HG PRO 9 -8.249 -9.893 0.895 45 HG3 PRO 9 2HG PRO 9 -7.176 -10.705 -0.260 46 HD2 PRO 9 1HD PRO 9 -9.519 -11.787 0.560 47 HD3 PRO 9 2HD PRO 9 -8.106 -12.776 0.139 48 H GLN 10 H GLN 10 -6.433 -11.212 5.236 49 HA GLN 10 HA GLN 10 -8.448 -9.136 5.781 50 HB2 GLN 10 1HB GLN 10 -7.399 -11.202 7.722 51 HB3 GLN 10 2HB GLN 10 -8.502 -9.893 8.126 52 HG2 GLN 10 1HG GLN 10 -10.158 -10.838 6.577 53 HG3 GLN 10 2HG GLN 10 -9.057 -12.172 6.241 54 HE21 GLN 10 1HE2 GLN 10 -10.523 -10.507 9.010 55 HE22 GLN 10 2HE2 GLN 10 -10.855 -11.941 9.915 56 H VAL 11 H VAL 11 -7.782 -7.348 6.940 57 HA VAL 11 HA VAL 11 -4.905 -7.191 7.559 58 HB VAL 11 HB VAL 11 -6.600 -5.032 6.296 59 HG11 VAL 11 1HG1 VAL 11 -4.166 -4.900 7.848 60 HG12 VAL 11 2HG1 VAL 11 -3.925 -4.278 6.214 61 HG13 VAL 11 3HG1 VAL 11 -5.186 -3.596 7.241 62 HG21 VAL 11 3HG2 VAL 11 -5.895 -6.812 4.749 63 HG22 VAL 11 1HG2 VAL 11 -5.124 -5.268 4.383 64 HG23 VAL 11 2HG2 VAL 11 -4.216 -6.533 5.212 65 H GLU 12 H GLU 12 -5.051 -7.378 9.751 66 HA GLU 12 HA GLU 12 -7.038 -6.106 11.328 67 HB2 GLU 12 1HB GLU 12 -5.419 -8.130 11.842 68 HB3 GLU 12 2HB GLU 12 -4.387 -6.858 12.480 69 HG2 GLU 12 1HG GLU 12 -6.438 -6.134 13.829 70 HG3 GLU 12 2HG GLU 12 -7.100 -7.714 13.411 71 H ALA 13 H ALA 13 -3.583 -5.392 10.830 72 HA ALA 13 HA ALA 13 -4.118 -2.557 11.117 73 HB1 ALA 13 3HB ALA 13 -2.847 -2.130 13.002 74 HB2 ALA 13 1HB ALA 13 -3.672 -3.627 13.437 75 HB3 ALA 13 2HB ALA 13 -1.992 -3.669 12.902 76 H TYR 14 H TYR 14 -1.849 -1.371 11.038 77 HA TYR 14 HA TYR 14 0.142 -2.746 9.465 78 HB2 TYR 14 1HB TYR 14 -0.019 -1.168 7.550 79 HB3 TYR 14 2HB TYR 14 -1.430 -2.209 7.704 80 HD1 TYR 14 1HD TYR 14 -0.202 1.192 8.614 81 HD2 TYR 14 2HD TYR 14 -3.557 -1.269 7.722 82 HE1 TYR 14 1HE TYR 14 -1.655 3.177 8.631 83 HE2 TYR 14 2HE TYR 14 -5.018 0.710 7.735 84 HH TYR 14 HH TYR 14 -3.781 3.902 8.612 85 H SER 15 H SER 15 2.115 -1.736 9.503 86 HA SER 15 HA SER 15 2.305 0.974 10.566 87 HB2 SER 15 1HB SER 15 4.028 0.236 12.234 88 HB3 SER 15 2HB SER 15 2.399 -0.339 12.587 89 HG SER 15 HG SER 15 3.380 -2.204 12.689 90 HA PRO 16 HA PRO 16 4.028 2.250 11.321 91 HB2 PRO 16 1HB PRO 16 4.761 4.500 9.990 92 HB3 PRO 16 2HB PRO 16 5.915 3.474 10.851 93 HG2 PRO 16 1HG PRO 16 5.282 3.572 7.927 94 HG3 PRO 16 2HG PRO 16 6.860 3.452 8.727 95 HD2 PRO 16 1HD PRO 16 5.603 1.306 7.657 96 HD3 PRO 16 2HD PRO 16 6.646 1.186 9.089 97 H SER 17 H SER 17 2.160 3.351 11.630 98 HA SER 17 HA SER 17 -0.035 3.075 10.056 99 HB2 SER 17 1HB SER 17 0.504 5.539 11.729 100 HB3 SER 17 2HB SER 17 -1.071 4.873 11.297 101 HG SER 17 HG SER 17 0.495 4.248 13.371 102 H ALA 18 H ALA 18 2.602 5.231 9.546 103 HA ALA 18 HA ALA 18 1.535 6.005 6.981 104 HB1 ALA 18 3HB ALA 18 2.213 8.504 7.824 105 HB2 ALA 18 1HB ALA 18 0.567 7.877 7.743 106 HB3 ALA 18 2HB ALA 18 1.453 7.834 9.268 107 H CYS 19 H CYS 19 3.126 7.393 5.772 108 HA CYS 19 HA CYS 19 5.858 7.310 6.745 109 HB2 CYS 19 1HB CYS 19 5.127 5.091 5.483 110 HB3 CYS 19 2HB CYS 19 5.444 6.076 4.060 111 HG CYS 19 HG CYS 19 7.639 4.992 6.420 112 H SER 20 H SER 20 7.312 8.002 4.677 113 HA SER 20 HA SER 20 6.206 10.581 3.908 114 HB2 SER 20 1HB SER 20 8.621 10.066 4.821 115 HB3 SER 20 2HB SER 20 8.957 9.681 3.133 116 HG SER 20 HG SER 20 9.305 11.780 3.100 117 H VAL 21 H VAL 21 6.663 11.376 1.662 118 HA VAL 21 HA VAL 21 5.347 9.801 -0.230 119 HB VAL 21 HB VAL 21 6.480 11.437 -1.905 120 HG11 VAL 21 1HG1 VAL 21 5.011 13.333 -0.641 121 HG12 VAL 21 2HG1 VAL 21 4.331 12.047 -1.640 122 HG13 VAL 21 3HG1 VAL 21 4.389 11.865 0.114 123 HG21 VAL 21 3HG2 VAL 21 7.954 12.032 0.404 124 HG22 VAL 21 1HG2 VAL 21 7.981 12.887 -1.139 125 HG23 VAL 21 2HG2 VAL 21 6.888 13.413 0.142 126 H ARG 22 H ARG 22 8.709 9.976 0.639 127 HA ARG 22 HA ARG 22 9.626 8.590 -1.723 128 HB2 ARG 22 1HB ARG 22 11.821 8.614 -0.613 129 HB3 ARG 22 2HB ARG 22 11.089 10.212 -0.646 130 HG2 ARG 22 1HG ARG 22 10.755 10.262 1.618 131 HG3 ARG 22 2HG ARG 22 10.682 8.504 1.755 132 HD2 ARG 22 1HD ARG 22 12.731 9.014 2.715 133 HD3 ARG 22 2HD ARG 22 13.168 8.577 1.064 134 HE ARG 22 HE ARG 22 12.777 11.311 1.065 135 HH11 ARG 22 1HH1 ARG 22 14.877 9.031 2.649 136 HH12 ARG 22 2HH1 ARG 22 16.191 10.150 2.803 137 HH21 ARG 22 1HH2 ARG 22 14.499 12.793 1.261 138 HH22 ARG 22 2HH2 ARG 22 15.975 12.290 2.014 139 H GLY 23 H GLY 23 8.056 7.663 1.061 140 HA2 GLY 23 1HA GLY 23 7.944 5.685 2.271 141 HA3 GLY 23 2HA GLY 23 7.865 5.016 0.648 142 H GLY 24 H GLY 24 9.495 3.754 -0.066 143 HA2 GLY 24 1HA GLY 24 11.289 2.322 0.184 144 HA3 GLY 24 2HA GLY 24 12.160 3.823 0.464 145 H GLU 25 H GLU 25 9.668 2.495 2.566 146 HA GLU 25 HA GLU 25 11.748 2.004 4.596 147 HB2 GLU 25 1HB GLU 25 9.085 3.359 4.817 148 HB3 GLU 25 2HB GLU 25 9.754 2.526 6.212 149 HG2 GLU 25 1HG GLU 25 11.434 4.501 4.745 150 HG3 GLU 25 2HG GLU 25 10.184 5.069 5.850 151 H GLU 26 H GLU 26 10.841 0.568 6.422 152 HA GLU 26 HA GLU 26 9.910 -1.865 5.180 153 HB2 GLU 26 1HB GLU 26 11.698 -1.914 6.869 154 HB3 GLU 26 2HB GLU 26 10.583 -1.274 8.068 155 HG2 GLU 26 1HG GLU 26 9.160 -3.359 7.495 156 HG3 GLU 26 2HG GLU 26 10.663 -3.985 6.821 157 H LEU 27 H LEU 27 7.787 -1.842 4.687 158 HA LEU 27 HA LEU 27 5.882 -0.984 6.753 159 HB2 LEU 27 1HB LEU 27 5.672 0.132 4.598 160 HB3 LEU 27 2HB LEU 27 5.493 -1.427 3.796 161 HG LEU 27 HG LEU 27 3.372 -1.763 5.057 162 HD11 LEU 27 1HD1 LEU 27 4.014 -0.146 6.886 163 HD12 LEU 27 2HD1 LEU 27 2.365 -0.008 6.276 164 HD13 LEU 27 3HD1 LEU 27 3.593 1.151 5.767 165 HD21 LEU 27 3HD2 LEU 27 2.124 -0.645 3.496 166 HD22 LEU 27 1HD2 LEU 27 3.711 -0.592 2.727 167 HD23 LEU 27 2HD2 LEU 27 3.105 0.818 3.596 168 H VAL 28 H VAL 28 5.268 -2.625 8.004 169 HA VAL 28 HA VAL 28 4.880 -5.275 6.798 170 HB VAL 28 HB VAL 28 5.100 -4.496 9.709 171 HG11 VAL 28 1HG1 VAL 28 4.245 -6.480 10.214 172 HG12 VAL 28 2HG1 VAL 28 3.985 -6.810 8.500 173 HG13 VAL 28 3HG1 VAL 28 5.505 -7.270 9.268 174 HG21 VAL 28 3HG2 VAL 28 7.055 -5.286 7.667 175 HG22 VAL 28 1HG2 VAL 28 7.282 -4.409 9.180 176 HG23 VAL 28 2HG2 VAL 28 7.177 -6.169 9.189 177 H LEU 29 H LEU 29 2.906 -6.099 6.543 178 HA LEU 29 HA LEU 29 0.630 -4.595 7.611 179 HB2 LEU 29 1HB LEU 29 0.733 -6.722 5.477 180 HB3 LEU 29 2HB LEU 29 -0.704 -5.824 5.963 181 HG LEU 29 HG LEU 29 1.727 -4.464 4.829 182 HD11 LEU 29 1HD1 LEU 29 1.100 -6.013 3.139 183 HD12 LEU 29 2HD1 LEU 29 0.442 -4.443 2.677 184 HD13 LEU 29 3HD1 LEU 29 -0.615 -5.671 3.373 185 HD21 LEU 29 3HD2 LEU 29 -0.148 -3.255 6.115 186 HD22 LEU 29 1HD2 LEU 29 -1.130 -3.573 4.685 187 HD23 LEU 29 2HD2 LEU 29 0.344 -2.614 4.547 188 H THR 30 H THR 30 -0.771 -5.432 9.050 189 HA THR 30 HA THR 30 -0.194 -8.128 10.063 190 HB THR 30 HB THR 30 -1.787 -5.942 11.414 191 HG1 THR 30 1HG THR 30 0.488 -5.450 11.117 192 HG21 THR 30 3HG2 THR 30 -0.484 -8.243 12.804 193 HG22 THR 30 1HG2 THR 30 -2.032 -8.485 11.997 194 HG23 THR 30 2HG2 THR 30 -1.887 -7.289 13.286 195 H GLY 31 H GLY 31 -1.740 -9.697 10.168 196 HA2 GLY 31 1HA GLY 31 -4.456 -9.525 10.173 197 HA3 GLY 31 2HA GLY 31 -4.044 -9.366 8.472 198 H SER 32 H SER 32 -4.779 -11.265 7.678 199 HA SER 32 HA SER 32 -3.227 -13.608 8.127 200 HB2 SER 32 1HB SER 32 -6.026 -13.512 9.257 201 HB3 SER 32 2HB SER 32 -5.197 -15.024 8.885 202 HG SER 32 HG SER 32 -3.525 -14.321 10.328 203 H ASN 33 H ASN 33 -4.287 -15.540 6.938 204 HA ASN 33 HA ASN 33 -5.016 -16.424 4.974 205 HB2 ASN 33 1HB ASN 33 -6.933 -14.133 5.321 206 HB3 ASN 33 2HB ASN 33 -6.994 -15.149 3.884 207 HD21 ASN 33 1HD2 ASN 33 -9.203 -15.419 4.902 208 HD22 ASN 33 2HD2 ASN 33 -9.389 -16.750 5.987 209 H PHE 34 H PHE 34 -2.701 -15.158 4.685 210 HA PHE 34 HA PHE 34 -2.964 -13.418 2.333 211 HB2 PHE 34 1HB PHE 34 -0.687 -13.855 4.268 212 HB3 PHE 34 2HB PHE 34 -0.514 -12.939 2.775 213 HD1 PHE 34 1HD PHE 34 -2.960 -11.398 2.637 214 HD2 PHE 34 2HD PHE 34 -0.544 -12.355 6.009 215 HE1 PHE 34 1HE PHE 34 -3.766 -9.376 3.785 216 HE2 PHE 34 2HE PHE 34 -1.347 -10.335 7.161 217 HZ PHE 34 HZ PHE 34 -2.961 -8.843 6.050 218 H LEU 35 H LEU 35 -1.553 -13.765 0.514 219 HA LEU 35 HA LEU 35 -0.925 -16.613 0.137 220 HB2 LEU 35 1HB LEU 35 -1.873 -14.456 -1.683 221 HB3 LEU 35 2HB LEU 35 -0.891 -15.757 -2.354 222 HG LEU 35 HG LEU 35 -3.315 -16.432 -0.745 223 HD11 LEU 35 1HD1 LEU 35 -4.674 -16.357 -2.782 224 HD12 LEU 35 2HD1 LEU 35 -3.332 -15.605 -3.644 225 HD13 LEU 35 3HD1 LEU 35 -4.109 -14.754 -2.310 226 HD21 LEU 35 3HD2 LEU 35 -3.344 -18.295 -2.443 227 HD22 LEU 35 1HD2 LEU 35 -1.960 -18.278 -1.349 228 HD23 LEU 35 2HD2 LEU 35 -1.783 -17.697 -3.005 229 HA PRO 36 HA PRO 36 3.370 -15.743 -0.191 230 HB2 PRO 36 1HB PRO 36 4.137 -17.736 -1.867 231 HB3 PRO 36 2HB PRO 36 3.693 -18.018 -0.180 232 HG2 PRO 36 1HG PRO 36 2.056 -18.394 -2.658 233 HG3 PRO 36 2HG PRO 36 2.195 -19.447 -1.238 234 HD2 PRO 36 1HD PRO 36 0.102 -17.769 -1.609 235 HD3 PRO 36 2HD PRO 36 0.724 -18.178 0.003 236 H ASP 37 H ASP 37 1.229 -15.296 -2.715 237 HA ASP 37 HA ASP 37 3.303 -13.960 -4.311 238 HB2 ASP 37 1HB ASP 37 2.314 -14.727 -6.379 239 HB3 ASP 37 2HB ASP 37 2.689 -16.126 -5.377 240 H SER 38 H SER 38 1.008 -13.280 -2.361 241 HA SER 38 HA SER 38 -1.061 -11.962 -3.623 242 HB2 SER 38 1HB SER 38 0.368 -11.496 -1.026 243 HB3 SER 38 2HB SER 38 -0.883 -10.371 -1.554 244 HG SER 38 HG SER 38 -2.363 -12.025 -1.535 245 H LYS 39 H LYS 39 -1.401 -9.594 -3.831 246 HA LYS 39 HA LYS 39 1.047 -8.174 -4.634 247 HB2 LYS 39 1HB LYS 39 -1.497 -8.537 -6.194 248 HB3 LYS 39 2HB LYS 39 -0.445 -7.158 -6.484 249 HG2 LYS 39 1HG LYS 39 0.805 -9.843 -6.488 250 HG3 LYS 39 2HG LYS 39 -0.241 -9.425 -7.847 251 HD2 LYS 39 1HD LYS 39 1.734 -8.616 -8.648 252 HD3 LYS 39 2HD LYS 39 1.188 -7.188 -7.766 253 HE2 LYS 39 1HE LYS 39 2.786 -9.211 -6.290 254 HE3 LYS 39 2HE LYS 39 3.625 -8.195 -7.460 255 HZ1 LYS 39 3HZ LYS 39 3.062 -7.528 -4.884 256 HZ2 LYS 39 1HZ LYS 39 1.870 -6.704 -5.758 257 HZ3 LYS 39 2HZ LYS 39 3.505 -6.448 -6.109 258 H VAL 40 H VAL 40 1.017 -5.927 -4.389 259 HA VAL 40 HA VAL 40 -1.305 -4.822 -2.955 260 HB VAL 40 HB VAL 40 1.592 -4.294 -2.275 261 HG11 VAL 40 1HG1 VAL 40 0.900 -2.756 -0.700 262 HG12 VAL 40 2HG1 VAL 40 -0.228 -2.447 -2.022 263 HG13 VAL 40 3HG1 VAL 40 -0.738 -3.404 -0.631 264 HG21 VAL 40 3HG2 VAL 40 0.405 -5.281 -0.023 265 HG22 VAL 40 1HG2 VAL 40 -0.368 -6.233 -1.291 266 HG23 VAL 40 2HG2 VAL 40 1.390 -6.221 -1.144 267 H VAL 41 H VAL 41 -2.125 -3.138 -3.991 268 HA VAL 41 HA VAL 41 -0.308 -1.378 -5.499 269 HB VAL 41 HB VAL 41 -1.769 -1.202 -7.321 270 HG11 VAL 41 1HG1 VAL 41 -1.826 -4.076 -6.407 271 HG12 VAL 41 2HG1 VAL 41 -2.178 -3.529 -8.047 272 HG13 VAL 41 3HG1 VAL 41 -0.568 -3.297 -7.365 273 HG21 VAL 41 3HG2 VAL 41 -4.047 -2.293 -7.290 274 HG22 VAL 41 1HG2 VAL 41 -3.835 -2.487 -5.550 275 HG23 VAL 41 2HG2 VAL 41 -3.863 -0.873 -6.261 276 H PHE 42 H PHE 42 -0.890 0.816 -5.600 277 HA PHE 42 HA PHE 42 -2.730 1.640 -3.466 278 HB2 PHE 42 1HB PHE 42 -0.487 3.149 -4.823 279 HB3 PHE 42 2HB PHE 42 -1.533 3.819 -3.575 280 HD1 PHE 42 2HD PHE 42 0.513 0.733 -4.075 281 HD2 PHE 42 1HD PHE 42 -0.620 3.913 -1.483 282 HE1 PHE 42 2HE PHE 42 2.027 -0.142 -2.345 283 HE2 PHE 42 1HE PHE 42 0.893 3.044 0.251 284 HZ PHE 42 HZ PHE 42 2.218 1.013 -0.178 285 H ILE 43 H ILE 43 -3.862 3.766 -3.867 286 HA ILE 43 HA ILE 43 -4.593 4.158 -6.677 287 HB ILE 43 HB ILE 43 -6.954 4.143 -6.226 288 HG12 ILE 43 1HG1 ILE 43 -6.453 3.225 -3.407 289 HG13 ILE 43 2HG1 ILE 43 -6.561 4.940 -3.790 290 HG21 ILE 43 1HG2 ILE 43 -6.108 2.009 -6.830 291 HG22 ILE 43 2HG2 ILE 43 -5.516 1.709 -5.197 292 HG23 ILE 43 3HG2 ILE 43 -7.250 1.748 -5.512 293 HD11 ILE 43 3HD1 ILE 43 -8.651 3.274 -3.154 294 HD12 ILE 43 1HD1 ILE 43 -8.776 4.865 -3.904 295 HD13 ILE 43 2HD1 ILE 43 -8.758 3.415 -4.908 296 H GLU 44 H GLU 44 -5.540 6.205 -7.136 297 HA GLU 44 HA GLU 44 -5.489 8.183 -4.980 298 HB2 GLU 44 1HB GLU 44 -3.283 8.356 -5.941 299 HB3 GLU 44 2HB GLU 44 -3.947 8.407 -7.568 300 HG2 GLU 44 1HG GLU 44 -5.195 10.527 -6.597 301 HG3 GLU 44 2HG GLU 44 -3.815 10.527 -5.501 302 H ARG 45 H ARG 45 -7.024 9.730 -5.154 303 HA ARG 45 HA ARG 45 -8.875 9.492 -7.406 304 HB2 ARG 45 1HB ARG 45 -9.164 10.878 -4.734 305 HB3 ARG 45 2HB ARG 45 -10.411 10.820 -5.973 306 HG2 ARG 45 1HG ARG 45 -11.063 9.119 -4.581 307 HG3 ARG 45 2HG ARG 45 -10.103 8.243 -5.775 308 HD2 ARG 45 1HD ARG 45 -9.445 7.449 -3.635 309 HD3 ARG 45 2HD ARG 45 -8.143 8.481 -4.225 310 HE ARG 45 HE ARG 45 -10.074 9.814 -2.544 311 HH11 ARG 45 1HH1 ARG 45 -7.081 8.041 -2.678 312 HH12 ARG 45 2HH1 ARG 45 -6.496 8.660 -1.170 313 HH21 ARG 45 1HH2 ARG 45 -9.315 10.635 -0.556 314 HH22 ARG 45 2HH2 ARG 45 -7.767 10.135 0.037 315 H GLY 46 H GLY 46 -9.266 11.101 -8.836 316 HA2 GLY 46 1HA GLY 46 -7.575 13.501 -8.592 317 HA3 GLY 46 2HA GLY 46 -8.181 12.838 -10.103 318 HA PRO 47 HA PRO 47 -10.907 16.340 -8.428 319 HB2 PRO 47 1HB PRO 47 -10.272 18.212 -10.289 320 HB3 PRO 47 2HB PRO 47 -9.400 18.042 -8.760 321 HG2 PRO 47 1HG PRO 47 -8.665 17.036 -11.482 322 HG3 PRO 47 2HG PRO 47 -7.638 17.809 -10.260 323 HD2 PRO 47 1HD PRO 47 -7.679 15.129 -10.645 324 HD3 PRO 47 2HD PRO 47 -7.392 15.860 -9.053 325 H ASP 48 H ASP 48 -10.573 14.329 -11.021 326 HA ASP 48 HA ASP 48 -12.700 15.484 -12.637 327 HB2 ASP 48 1HB ASP 48 -10.751 13.251 -12.970 328 HB3 ASP 48 2HB ASP 48 -12.259 13.175 -13.878 329 H GLY 49 H GLY 49 -12.160 12.838 -10.399 330 HA2 GLY 49 1HA GLY 49 -14.309 12.346 -9.136 331 HA3 GLY 49 2HA GLY 49 -14.981 12.034 -10.729 332 H LYS 50 H LYS 50 -12.674 10.718 -11.801 333 HA LYS 50 HA LYS 50 -12.968 8.150 -10.419 334 HB2 LYS 50 1HB LYS 50 -12.016 7.206 -12.541 335 HB3 LYS 50 2HB LYS 50 -13.555 8.034 -12.734 336 HG2 LYS 50 1HG LYS 50 -12.546 9.895 -13.755 337 HG3 LYS 50 2HG LYS 50 -10.930 9.396 -13.249 338 HD2 LYS 50 1HD LYS 50 -10.976 8.794 -15.491 339 HD3 LYS 50 2HD LYS 50 -11.397 7.286 -14.676 340 HE2 LYS 50 1HE LYS 50 -13.743 7.659 -15.118 341 HE3 LYS 50 2HE LYS 50 -13.393 9.240 -15.814 342 HZ1 LYS 50 3HZ LYS 50 -13.183 8.239 -17.763 343 HZ2 LYS 50 1HZ LYS 50 -13.358 6.708 -17.065 344 HZ3 LYS 50 2HZ LYS 50 -11.826 7.413 -17.182 345 H LEU 51 H LEU 51 -11.163 6.834 -9.955 346 HA LEU 51 HA LEU 51 -8.696 8.364 -9.527 347 HB2 LEU 51 1HB LEU 51 -8.149 6.371 -8.025 348 HB3 LEU 51 2HB LEU 51 -9.399 7.493 -7.491 349 HG LEU 51 HG LEU 51 -11.111 5.879 -8.298 350 HD11 LEU 51 1HD1 LEU 51 -10.291 4.455 -9.846 351 HD12 LEU 51 2HD1 LEU 51 -9.948 3.468 -8.425 352 HD13 LEU 51 3HD1 LEU 51 -8.672 4.449 -9.146 353 HD21 LEU 51 3HD2 LEU 51 -10.704 4.209 -6.478 354 HD22 LEU 51 1HD2 LEU 51 -10.604 5.895 -5.970 355 HD23 LEU 51 2HD2 LEU 51 -9.129 4.962 -6.223 356 H GLN 52 H GLN 52 -6.777 7.767 -10.395 357 HA GLN 52 HA GLN 52 -6.466 5.183 -11.670 358 HB2 GLN 52 1HB GLN 52 -6.337 7.760 -13.243 359 HB3 GLN 52 2HB GLN 52 -5.760 6.208 -13.834 360 HG2 GLN 52 1HG GLN 52 -8.109 5.346 -13.440 361 HG3 GLN 52 2HG GLN 52 -8.579 7.031 -13.226 362 HE21 GLN 52 1HE2 GLN 52 -9.245 4.981 -15.288 363 HE22 GLN 52 2HE2 GLN 52 -8.883 5.739 -16.798 364 H TRP 53 H TRP 53 -4.664 4.591 -10.630 365 HA TRP 53 HA TRP 53 -2.243 6.117 -11.100 366 HB2 TRP 53 1HB TRP 53 -3.197 7.026 -8.969 367 HB3 TRP 53 2HB TRP 53 -3.052 5.415 -8.271 368 HD1 TRP 53 HD TRP 53 -0.335 7.031 -10.471 369 HE1 TRP 53 1HE TRP 53 1.793 7.312 -9.050 370 HE3 TRP 53 3HE TRP 53 -2.193 5.585 -5.933 371 HZ2 TRP 53 2HZ TRP 53 2.579 6.965 -6.361 372 HZ3 TRP 53 3HZ TRP 53 -0.687 5.587 -3.987 373 HH2 TRP 53 HH TRP 53 1.649 6.262 -4.199 374 H GLU 54 H GLU 54 -1.009 4.600 -11.995 375 HA GLU 54 HA GLU 54 -1.131 1.857 -10.977 376 HB2 GLU 54 1HB GLU 54 -1.349 2.345 -13.442 377 HB3 GLU 54 2HB GLU 54 0.331 2.862 -13.420 378 HG2 GLU 54 1HG GLU 54 1.038 0.651 -12.743 379 HG3 GLU 54 2HG GLU 54 -0.640 0.118 -12.656 380 H GLU 55 H GLU 55 0.151 1.679 -9.224 381 HA GLU 55 HA GLU 55 3.006 2.159 -9.611 382 HB2 GLU 55 1HB GLU 55 1.275 3.505 -7.599 383 HB3 GLU 55 2HB GLU 55 2.872 2.988 -7.077 384 HG2 GLU 55 1HG GLU 55 2.371 4.726 -9.479 385 HG3 GLU 55 2HG GLU 55 2.746 5.342 -7.871 386 H GLU 56 H GLU 56 3.808 0.176 -9.369 387 HA GLU 56 HA GLU 56 2.605 -1.707 -7.522 388 HB2 GLU 56 1HB GLU 56 3.637 -2.144 -9.910 389 HB3 GLU 56 2HB GLU 56 5.137 -2.277 -9.003 390 HG2 GLU 56 1HG GLU 56 4.499 -4.450 -8.981 391 HG3 GLU 56 2HG GLU 56 3.685 -3.902 -7.517 392 H ALA 57 H ALA 57 3.473 -2.433 -5.638 393 HA ALA 57 HA ALA 57 5.815 -0.967 -4.639 394 HB1 ALA 57 3HB ALA 57 3.966 -2.540 -2.891 395 HB2 ALA 57 1HB ALA 57 4.966 -1.144 -2.491 396 HB3 ALA 57 2HB ALA 57 3.510 -0.936 -3.464 397 H THR 58 H THR 58 7.638 -1.996 -4.053 398 HA THR 58 HA THR 58 8.073 -4.673 -4.870 399 HB THR 58 HB THR 58 9.789 -2.906 -3.114 400 HG1 THR 58 1HG THR 58 10.543 -2.108 -4.946 401 HG21 THR 58 3HG2 THR 58 11.335 -4.758 -4.573 402 HG22 THR 58 1HG2 THR 58 10.034 -5.675 -3.816 403 HG23 THR 58 2HG2 THR 58 11.104 -4.681 -2.827 404 H VAL 59 H VAL 59 7.301 -6.400 -3.854 405 HA VAL 59 HA VAL 59 6.833 -6.322 -0.976 406 HB VAL 59 HB VAL 59 6.131 -8.448 -3.005 407 HG11 VAL 59 1HG1 VAL 59 6.269 -9.595 -0.986 408 HG12 VAL 59 2HG1 VAL 59 5.665 -8.223 -0.054 409 HG13 VAL 59 3HG1 VAL 59 4.566 -9.146 -1.080 410 HG21 VAL 59 3HG2 VAL 59 4.630 -6.845 -3.569 411 HG22 VAL 59 1HG2 VAL 59 3.772 -7.494 -2.171 412 HG23 VAL 59 2HG2 VAL 59 4.746 -6.033 -2.007 413 H ASN 60 H ASN 60 7.731 -7.781 0.483 414 HA ASN 60 HA ASN 60 10.148 -9.159 -0.482 415 HB2 ASN 60 1HB ASN 60 10.425 -7.212 1.138 416 HB3 ASN 60 2HB ASN 60 9.665 -8.239 2.351 417 HD21 ASN 60 1HD2 ASN 60 11.601 -8.093 3.563 418 HD22 ASN 60 2HD2 ASN 60 12.974 -9.059 3.155 419 H ARG 61 H ARG 61 9.288 -11.166 -0.894 420 HA ARG 61 HA ARG 61 7.501 -12.511 0.855 421 HB2 ARG 61 1HB ARG 61 9.063 -13.215 -1.572 422 HB3 ARG 61 2HB ARG 61 8.530 -14.545 -0.552 423 HG2 ARG 61 1HG ARG 61 6.754 -14.408 -1.962 424 HG3 ARG 61 2HG ARG 61 6.220 -13.282 -0.713 425 HD2 ARG 61 1HD ARG 61 5.848 -12.031 -2.598 426 HD3 ARG 61 2HD ARG 61 7.489 -11.529 -2.193 427 HE ARG 61 HE ARG 61 6.689 -13.260 -4.407 428 HH11 ARG 61 1HH1 ARG 61 9.213 -11.669 -2.613 429 HH12 ARG 61 2HH1 ARG 61 10.399 -11.859 -3.861 430 HH21 ARG 61 1HH2 ARG 61 8.241 -13.515 -6.058 431 HH22 ARG 61 2HH2 ARG 61 9.845 -12.908 -5.821 432 H LEU 62 H LEU 62 10.950 -12.208 0.711 433 HA LEU 62 HA LEU 62 11.766 -14.489 2.081 434 HB2 LEU 62 1HB LEU 62 12.861 -11.737 1.765 435 HB3 LEU 62 2HB LEU 62 13.600 -12.810 2.952 436 HG LEU 62 HG LEU 62 13.299 -13.511 0.037 437 HD11 LEU 62 1HD1 LEU 62 15.855 -13.064 0.128 438 HD12 LEU 62 2HD1 LEU 62 15.444 -12.023 1.490 439 HD13 LEU 62 3HD1 LEU 62 14.742 -11.715 -0.098 440 HD21 LEU 62 3HD2 LEU 62 15.222 -15.060 0.725 441 HD22 LEU 62 1HD2 LEU 62 13.594 -15.483 1.252 442 HD23 LEU 62 2HD2 LEU 62 14.718 -14.730 2.383 443 H GLN 63 H GLN 63 10.604 -11.389 3.319 444 HA GLN 63 HA GLN 63 10.609 -12.533 6.031 445 HB2 GLN 63 1HB GLN 63 10.774 -9.691 5.053 446 HB3 GLN 63 2HB GLN 63 10.340 -10.074 6.713 447 HG2 GLN 63 1HG GLN 63 12.838 -11.182 5.502 448 HG3 GLN 63 2HG GLN 63 12.795 -9.538 6.138 449 HE21 GLN 63 1HE2 GLN 63 13.166 -9.265 8.226 450 HE22 GLN 63 2HE2 GLN 63 13.163 -10.510 9.423 451 H SER 64 H SER 64 8.584 -13.091 4.053 452 HA SER 64 HA SER 64 6.266 -11.735 5.267 453 HB2 SER 64 1HB SER 64 6.781 -11.533 2.708 454 HB3 SER 64 2HB SER 64 6.108 -13.162 2.632 455 HG SER 64 HG SER 64 4.218 -12.311 3.650 456 H ASN 65 H ASN 65 4.633 -12.939 6.114 457 HA ASN 65 HA ASN 65 4.948 -15.868 6.014 458 HB2 ASN 65 1HB ASN 65 4.524 -14.034 8.322 459 HB3 ASN 65 2HB ASN 65 3.703 -15.592 8.362 460 HD21 ASN 65 1HD2 ASN 65 5.164 -15.718 10.291 461 HD22 ASN 65 2HD2 ASN 65 6.735 -16.393 10.042 462 H GLU 66 H GLU 66 2.758 -16.844 7.015 463 HA GLU 66 HA GLU 66 0.744 -16.204 5.093 464 HB2 GLU 66 1HB GLU 66 1.235 -18.503 6.038 465 HB3 GLU 66 2HB GLU 66 0.432 -17.980 7.512 466 HG2 GLU 66 1HG GLU 66 -1.648 -17.826 6.467 467 HG3 GLU 66 2HG GLU 66 -0.938 -17.825 4.854 468 H VAL 67 H VAL 67 1.569 -14.819 8.003 469 HA VAL 67 HA VAL 67 -1.127 -13.671 8.298 470 HB VAL 67 HB VAL 67 -0.699 -13.471 10.741 471 HG11 VAL 67 1HG1 VAL 67 -1.649 -15.487 11.171 472 HG12 VAL 67 2HG1 VAL 67 -1.794 -15.509 9.413 473 HG13 VAL 67 3HG1 VAL 67 -0.474 -16.374 10.201 474 HG21 VAL 67 3HG2 VAL 67 1.062 -14.826 11.758 475 HG22 VAL 67 1HG2 VAL 67 1.635 -15.292 10.156 476 HG23 VAL 67 2HG2 VAL 67 1.742 -13.610 10.677 477 H THR 68 H THR 68 2.002 -13.087 7.508 478 HA THR 68 HA THR 68 1.739 -10.242 8.190 479 HB THR 68 HB THR 68 4.254 -11.886 8.533 480 HG1 THR 68 1HG THR 68 3.602 -11.957 10.536 481 HG21 THR 68 3HG2 THR 68 4.850 -9.742 7.604 482 HG22 THR 68 1HG2 THR 68 5.254 -9.747 9.320 483 HG23 THR 68 2HG2 THR 68 3.808 -8.908 8.756 484 H LEU 69 H LEU 69 2.599 -8.807 6.695 485 HA LEU 69 HA LEU 69 3.794 -9.950 4.271 486 HB2 LEU 69 1HB LEU 69 1.280 -8.395 4.513 487 HB3 LEU 69 2HB LEU 69 2.328 -8.035 3.142 488 HG LEU 69 HG LEU 69 1.205 -10.762 3.779 489 HD11 LEU 69 1HD1 LEU 69 -0.374 -10.416 2.036 490 HD12 LEU 69 2HD1 LEU 69 0.354 -8.871 1.598 491 HD13 LEU 69 3HD1 LEU 69 -0.496 -9.040 3.133 492 HD21 LEU 69 3HD2 LEU 69 3.344 -9.941 2.127 493 HD22 LEU 69 1HD2 LEU 69 2.004 -10.384 1.069 494 HD23 LEU 69 2HD2 LEU 69 2.612 -11.541 2.253 495 H THR 70 H THR 70 5.753 -9.062 4.219 496 HA THR 70 HA THR 70 6.101 -6.277 5.059 497 HB THR 70 HB THR 70 8.189 -8.377 4.439 498 HG1 THR 70 1HG THR 70 6.868 -8.653 6.395 499 HG21 THR 70 3HG2 THR 70 8.569 -5.707 4.309 500 HG22 THR 70 1HG2 THR 70 9.813 -6.846 4.822 501 HG23 THR 70 2HG2 THR 70 8.858 -5.980 6.027 502 H LEU 71 H LEU 71 6.026 -4.761 3.546 503 HA LEU 71 HA LEU 71 7.227 -5.319 0.924 504 HB2 LEU 71 1HB LEU 71 5.439 -4.432 -0.264 505 HB3 LEU 71 2HB LEU 71 4.673 -5.427 0.973 506 HG LEU 71 HG LEU 71 5.024 -2.476 1.375 507 HD11 LEU 71 1HD1 LEU 71 3.914 -2.655 -0.754 508 HD12 LEU 71 2HD1 LEU 71 2.740 -2.187 0.476 509 HD13 LEU 71 3HD1 LEU 71 2.789 -3.850 -0.108 510 HD21 LEU 71 3HD2 LEU 71 2.628 -3.355 2.439 511 HD22 LEU 71 1HD2 LEU 71 4.126 -3.069 3.325 512 HD23 LEU 71 2HD2 LEU 71 3.741 -4.690 2.744 513 H THR 72 H THR 72 7.495 -3.197 -0.338 514 HA THR 72 HA THR 72 8.536 -1.169 1.525 515 HB THR 72 HB THR 72 9.371 -1.607 -1.347 516 HG1 THR 72 1HG THR 72 10.986 -2.251 0.869 517 HG21 THR 72 3HG2 THR 72 11.343 -0.246 -0.613 518 HG22 THR 72 1HG2 THR 72 10.483 0.084 0.891 519 HG23 THR 72 2HG2 THR 72 9.819 0.639 -0.645 520 H VAL 73 H VAL 73 7.444 0.670 1.632 521 HA VAL 73 HA VAL 73 5.218 1.342 0.143 522 HB VAL 73 HB VAL 73 7.134 3.241 1.505 523 HG11 VAL 73 1HG1 VAL 73 5.840 4.634 0.184 524 HG12 VAL 73 2HG1 VAL 73 4.412 3.605 0.319 525 HG13 VAL 73 3HG1 VAL 73 4.926 4.588 1.691 526 HG21 VAL 73 3HG2 VAL 73 5.467 3.124 3.357 527 HG22 VAL 73 1HG2 VAL 73 4.674 1.806 2.493 528 HG23 VAL 73 2HG2 VAL 73 6.329 1.612 3.070 529 HA PRO 74 HA PRO 74 7.034 2.428 -3.772 530 HB2 PRO 74 1HB PRO 74 4.718 3.213 -4.952 531 HB3 PRO 74 2HB PRO 74 5.150 1.514 -4.719 532 HG2 PRO 74 1HG PRO 74 3.332 3.246 -3.090 533 HG3 PRO 74 2HG PRO 74 3.105 1.567 -3.613 534 HD2 PRO 74 1HD PRO 74 3.921 2.216 -1.114 535 HD3 PRO 74 2HD PRO 74 4.444 0.731 -1.933 536 H GLU 75 H GLU 75 7.291 4.333 -5.085 537 HA GLU 75 HA GLU 75 7.316 6.748 -3.509 538 HB2 GLU 75 1HB GLU 75 8.239 6.133 -6.316 539 HB3 GLU 75 2HB GLU 75 8.380 7.722 -5.580 540 HG2 GLU 75 1HG GLU 75 10.007 7.049 -4.105 541 HG3 GLU 75 2HG GLU 75 9.519 5.357 -4.173 542 H TYR 76 H TYR 76 6.049 8.516 -3.732 543 HA TYR 76 HA TYR 76 3.571 8.212 -5.150 544 HB2 TYR 76 1HB TYR 76 3.800 9.331 -2.910 545 HB3 TYR 76 2HB TYR 76 4.604 10.669 -3.723 546 HD1 TYR 76 1HD TYR 76 1.656 8.710 -4.869 547 HD2 TYR 76 2HD TYR 76 3.110 12.448 -3.450 548 HE1 TYR 76 1HE TYR 76 -0.532 9.732 -5.338 549 HE2 TYR 76 2HE TYR 76 0.927 13.480 -3.914 550 HH TYR 76 HH TYR 76 -1.031 13.038 -5.439 551 H SER 77 H SER 77 2.717 9.897 -6.601 552 HA SER 77 HA SER 77 4.402 10.291 -8.818 553 HB2 SER 77 1HB SER 77 2.568 11.506 -9.803 554 HB3 SER 77 2HB SER 77 1.895 10.158 -8.887 555 HG SER 77 HG SER 77 1.565 12.839 -8.533 556 H ASN 78 H ASN 78 3.365 12.468 -6.232 557 HA ASN 78 HA ASN 78 5.356 14.423 -7.183 558 HB2 ASN 78 1HB ASN 78 2.829 15.037 -7.183 559 HB3 ASN 78 2HB ASN 78 3.028 15.173 -5.438 560 HD21 ASN 78 1HD2 ASN 78 2.315 17.408 -6.134 561 HD22 ASN 78 2HD2 ASN 78 3.573 18.542 -6.479 562 H LYS 79 H LYS 79 7.100 14.419 -5.941 563 HA LYS 79 HA LYS 79 6.872 13.646 -3.127 564 HB2 LYS 79 1HB LYS 79 9.242 13.927 -4.975 565 HB3 LYS 79 2HB LYS 79 9.400 13.612 -3.252 566 HG2 LYS 79 1HG LYS 79 7.776 11.620 -3.798 567 HG3 LYS 79 2HG LYS 79 8.423 11.836 -5.427 568 HD2 LYS 79 1HD LYS 79 10.726 11.849 -4.153 569 HD3 LYS 79 2HD LYS 79 9.803 10.978 -2.927 570 HE2 LYS 79 1HE LYS 79 10.771 9.333 -4.324 571 HE3 LYS 79 2HE LYS 79 9.066 9.415 -4.766 572 HZ1 LYS 79 3HZ LYS 79 9.748 9.712 -6.841 573 HZ2 LYS 79 1HZ LYS 79 11.362 9.897 -6.371 574 HZ3 LYS 79 2HZ LYS 79 10.328 11.235 -6.391 575 H ARG 80 H ARG 80 7.866 16.316 -5.187 576 HA ARG 80 HA ARG 80 8.832 17.924 -3.011 577 HB2 ARG 80 1HB ARG 80 8.936 19.725 -4.726 578 HB3 ARG 80 2HB ARG 80 9.789 18.260 -5.195 579 HG2 ARG 80 1HG ARG 80 7.891 17.608 -6.597 580 HG3 ARG 80 2HG ARG 80 7.052 19.091 -6.136 581 HD2 ARG 80 1HD ARG 80 8.948 20.388 -7.087 582 HD3 ARG 80 2HD ARG 80 9.649 18.872 -7.652 583 HE ARG 80 HE ARG 80 7.040 19.014 -8.620 584 HH11 ARG 80 1HH1 ARG 80 10.070 20.689 -8.986 585 HH12 ARG 80 2HH1 ARG 80 9.750 21.181 -10.616 586 HH21 ARG 80 1HH2 ARG 80 6.607 19.656 -10.765 587 HH22 ARG 80 2HH2 ARG 80 7.780 20.593 -11.627 588 H VAL 81 H VAL 81 6.438 17.165 -2.159 589 HA VAL 81 HA VAL 81 4.554 19.337 -2.753 590 HB VAL 81 HB VAL 81 2.943 17.929 -1.397 591 HG11 VAL 81 1HG1 VAL 81 2.414 17.707 -3.583 592 HG12 VAL 81 2HG1 VAL 81 4.066 17.305 -4.055 593 HG13 VAL 81 3HG1 VAL 81 3.028 16.072 -3.338 594 HG21 VAL 81 3HG2 VAL 81 3.495 15.567 -1.102 595 HG22 VAL 81 1HG2 VAL 81 5.119 15.865 -1.722 596 HG23 VAL 81 2HG2 VAL 81 4.609 16.596 -0.201 597 H SER 82 H SER 82 3.916 20.788 -1.240 598 HA SER 82 HA SER 82 5.549 21.051 1.115 599 HB2 SER 82 1HB SER 82 4.294 23.147 1.471 600 HB3 SER 82 2HB SER 82 4.919 23.037 -0.174 601 HG SER 82 HG SER 82 2.337 23.147 0.710 602 H ARG 83 H ARG 83 2.466 19.737 0.356 603 HA ARG 83 HA ARG 83 1.920 19.387 3.230 604 HB2 ARG 83 1HB ARG 83 -0.006 19.953 0.981 605 HB3 ARG 83 2HB ARG 83 -0.528 19.287 2.523 606 HG2 ARG 83 1HG ARG 83 0.646 21.314 3.570 607 HG3 ARG 83 2HG ARG 83 0.627 21.985 1.938 608 HD2 ARG 83 1HD ARG 83 -1.740 21.939 1.850 609 HD3 ARG 83 2HD ARG 83 -1.843 20.941 3.299 610 HE ARG 83 HE ARG 83 -1.740 22.844 4.549 611 HH11 ARG 83 1HH1 ARG 83 -0.489 23.530 1.373 612 HH12 ARG 83 2HH1 ARG 83 -0.314 25.228 1.667 613 HH21 ARG 83 1HH2 ARG 83 -1.513 25.079 4.948 614 HH22 ARG 83 2HH2 ARG 83 -0.896 26.108 3.700 615 HA PRO 84 HA PRO 84 1.853 15.056 2.504 616 HB2 PRO 84 1HB PRO 84 0.083 14.256 4.401 617 HB3 PRO 84 2HB PRO 84 1.718 14.806 4.784 618 HG2 PRO 84 1HG PRO 84 -0.868 16.307 4.928 619 HG3 PRO 84 2HG PRO 84 0.478 16.285 6.082 620 HD2 PRO 84 1HD PRO 84 0.112 18.298 4.309 621 HD3 PRO 84 2HD PRO 84 1.723 17.785 4.851 622 H VAL 85 H VAL 85 0.615 13.361 1.626 623 HA VAL 85 HA VAL 85 -2.033 14.169 0.611 624 HB VAL 85 HB VAL 85 -0.080 12.300 -0.736 625 HG11 VAL 85 1HG1 VAL 85 -2.603 13.535 -1.825 626 HG12 VAL 85 2HG1 VAL 85 -1.583 12.317 -2.594 627 HG13 VAL 85 3HG1 VAL 85 -2.513 11.907 -1.152 628 HG21 VAL 85 3HG2 VAL 85 -0.560 15.229 -1.000 629 HG22 VAL 85 1HG2 VAL 85 0.951 14.323 -1.066 630 HG23 VAL 85 2HG2 VAL 85 -0.153 14.298 -2.441 631 H GLN 86 H GLN 86 -3.660 12.598 0.505 632 HA GLN 86 HA GLN 86 -3.190 10.268 2.238 633 HB2 GLN 86 1HB GLN 86 -4.851 11.682 3.196 634 HB3 GLN 86 2HB GLN 86 -5.683 11.862 1.656 635 HG2 GLN 86 1HG GLN 86 -7.017 10.391 2.862 636 HG3 GLN 86 2HG GLN 86 -6.092 9.349 1.782 637 HE21 GLN 86 1HE2 GLN 86 -6.214 7.534 3.030 638 HE22 GLN 86 2HE2 GLN 86 -5.435 7.378 4.564 639 H VAL 87 H VAL 87 -3.046 8.382 1.240 640 HA VAL 87 HA VAL 87 -4.621 7.961 -1.216 641 HB VAL 87 HB VAL 87 -2.862 6.572 -2.121 642 HG11 VAL 87 1HG1 VAL 87 -1.976 8.400 -3.014 643 HG12 VAL 87 2HG1 VAL 87 -2.657 9.357 -1.696 644 HG13 VAL 87 3HG1 VAL 87 -1.033 8.685 -1.551 645 HG21 VAL 87 3HG2 VAL 87 -2.090 5.964 0.307 646 HG22 VAL 87 1HG2 VAL 87 -0.939 5.943 -1.029 647 HG23 VAL 87 2HG2 VAL 87 -0.984 7.318 0.074 648 H TYR 88 H TYR 88 -4.848 5.553 -1.708 649 HA TYR 88 HA TYR 88 -5.178 4.012 0.776 650 HB2 TYR 88 1HB TYR 88 -7.173 4.284 -1.478 651 HB3 TYR 88 2HB TYR 88 -7.297 3.089 -0.192 652 HD1 TYR 88 1HD TYR 88 -7.430 3.956 2.218 653 HD2 TYR 88 2HD TYR 88 -8.056 6.429 -1.188 654 HE1 TYR 88 1HE TYR 88 -8.614 5.588 3.627 655 HE2 TYR 88 2HE TYR 88 -9.240 8.068 0.212 656 HH TYR 88 HH TYR 88 -10.078 8.501 2.231 657 H PHE 89 H PHE 89 -5.024 1.748 0.571 658 HA PHE 89 HA PHE 89 -4.201 0.681 -2.021 659 HB2 PHE 89 1HB PHE 89 -2.211 -0.397 -1.047 660 HB3 PHE 89 2HB PHE 89 -2.107 1.358 -0.960 661 HD1 PHE 89 2HD PHE 89 -3.088 -1.607 1.059 662 HD2 PHE 89 1HD PHE 89 -1.603 2.381 1.050 663 HE1 PHE 89 2HE PHE 89 -2.680 -1.758 3.481 664 HE2 PHE 89 1HE PHE 89 -1.191 2.237 3.472 665 HZ PHE 89 HZ PHE 89 -1.731 0.166 4.690 666 H TYR 90 H TYR 90 -4.424 -1.574 -2.218 667 HA TYR 90 HA TYR 90 -5.667 -2.978 0.035 668 HB2 TYR 90 1HB TYR 90 -7.427 -3.877 -1.409 669 HB3 TYR 90 2HB TYR 90 -7.502 -2.119 -1.358 670 HD1 TYR 90 2HD TYR 90 -6.865 -0.790 -3.318 671 HD2 TYR 90 1HD TYR 90 -6.870 -5.043 -3.444 672 HE1 TYR 90 2HE TYR 90 -6.786 -0.711 -5.775 673 HE2 TYR 90 1HE TYR 90 -6.790 -4.976 -5.902 674 HH TYR 90 HH TYR 90 -7.616 -2.956 -7.715 675 H VAL 91 H VAL 91 -5.845 -5.360 -0.406 676 HA VAL 91 HA VAL 91 -3.418 -6.249 -1.801 677 HB VAL 91 HB VAL 91 -5.059 -7.800 0.203 678 HG11 VAL 91 1HG1 VAL 91 -2.187 -8.324 -0.336 679 HG12 VAL 91 2HG1 VAL 91 -3.479 -9.441 0.106 680 HG13 VAL 91 3HG1 VAL 91 -3.359 -8.838 -1.548 681 HG21 VAL 91 3HG2 VAL 91 -2.421 -6.564 0.858 682 HG22 VAL 91 1HG2 VAL 91 -3.886 -5.585 0.946 683 HG23 VAL 91 2HG2 VAL 91 -3.737 -7.040 1.931 684 H SER 92 H SER 92 -3.620 -7.243 -3.687 685 HA SER 92 HA SER 92 -6.231 -8.135 -4.587 686 HB2 SER 92 1HB SER 92 -4.977 -6.893 -6.201 687 HB3 SER 92 2HB SER 92 -3.549 -7.900 -5.962 688 HG SER 92 HG SER 92 -6.023 -8.853 -6.973 689 H ASN 93 H ASN 93 -6.908 -10.123 -4.182 690 HA ASN 93 HA ASN 93 -4.960 -12.326 -4.288 691 HB2 ASN 93 1HB ASN 93 -7.243 -12.111 -2.313 692 HB3 ASN 93 2HB ASN 93 -6.070 -13.421 -2.417 693 HD21 ASN 93 1HD2 ASN 93 -5.047 -13.259 -0.523 694 HD22 ASN 93 2HD2 ASN 93 -4.206 -11.855 0.030 695 H GLY 94 H GLY 94 -5.499 -13.238 -6.195 696 HA2 GLY 94 1HA GLY 94 -6.774 -14.846 -7.357 697 HA3 GLY 94 2HA GLY 94 -8.174 -14.400 -6.391 698 H ARG 95 H ARG 95 -9.718 -13.620 -7.652 699 HA ARG 95 HA ARG 95 -8.961 -11.693 -9.747 700 HB2 ARG 95 1HB ARG 95 -10.759 -12.565 -11.155 701 HB3 ARG 95 2HB ARG 95 -9.599 -13.828 -10.768 702 HG2 ARG 95 1HG ARG 95 -11.092 -14.754 -9.117 703 HG3 ARG 95 2HG ARG 95 -12.234 -13.433 -9.369 704 HD2 ARG 95 1HD ARG 95 -11.415 -15.494 -11.413 705 HD3 ARG 95 2HD ARG 95 -12.948 -15.447 -10.543 706 HE ARG 95 HE ARG 95 -13.658 -13.737 -11.921 707 HH11 ARG 95 1HH1 ARG 95 -10.279 -14.386 -12.451 708 HH12 ARG 95 2HH1 ARG 95 -10.186 -13.424 -13.889 709 HH21 ARG 95 1HH2 ARG 95 -13.548 -12.468 -13.814 710 HH22 ARG 95 2HH2 ARG 95 -12.046 -12.333 -14.663 711 H ARG 96 H ARG 96 -11.470 -12.795 -7.514 712 HA ARG 96 HA ARG 96 -12.691 -10.118 -7.664 713 HB2 ARG 96 1HB ARG 96 -13.847 -12.842 -7.245 714 HB3 ARG 96 2HB ARG 96 -14.646 -11.461 -6.506 715 HG2 ARG 96 1HG ARG 96 -14.423 -10.484 -8.954 716 HG3 ARG 96 2HG ARG 96 -14.383 -12.200 -9.364 717 HD2 ARG 96 1HD ARG 96 -16.657 -11.460 -9.463 718 HD3 ARG 96 2HD ARG 96 -16.475 -12.494 -8.047 719 HE ARG 96 HE ARG 96 -16.144 -9.701 -7.472 720 HH11 ARG 96 1HH1 ARG 96 -18.448 -12.283 -7.857 721 HH12 ARG 96 2HH1 ARG 96 -19.654 -11.530 -6.868 722 HH21 ARG 96 1HH2 ARG 96 -17.725 -8.699 -6.167 723 HH22 ARG 96 2HH2 ARG 96 -19.242 -9.491 -5.908 724 H LYS 97 H LYS 97 -11.438 -12.614 -5.558 725 HA LYS 97 HA LYS 97 -12.235 -11.446 -3.100 726 HB2 LYS 97 1HB LYS 97 -10.128 -13.459 -3.854 727 HB3 LYS 97 2HB LYS 97 -10.305 -12.894 -2.197 728 HG2 LYS 97 1HG LYS 97 -11.618 -14.740 -2.099 729 HG3 LYS 97 2HG LYS 97 -12.828 -13.566 -2.621 730 HD2 LYS 97 1HD LYS 97 -12.812 -14.343 -4.816 731 HD3 LYS 97 2HD LYS 97 -11.240 -15.124 -4.630 732 HE2 LYS 97 1HE LYS 97 -12.412 -16.642 -2.931 733 HE3 LYS 97 2HE LYS 97 -13.917 -16.017 -3.602 734 HZ1 LYS 97 3HZ LYS 97 -13.575 -17.873 -4.875 735 HZ2 LYS 97 1HZ LYS 97 -11.889 -17.724 -4.867 736 HZ3 LYS 97 2HZ LYS 97 -12.824 -16.703 -5.839 737 H ARG 98 H ARG 98 -11.519 -9.645 -2.188 738 HA ARG 98 HA ARG 98 -8.710 -8.889 -2.499 739 HB2 ARG 98 1HB ARG 98 -11.081 -7.206 -3.262 740 HB3 ARG 98 2HB ARG 98 -9.566 -6.463 -2.769 741 HG2 ARG 98 1HG ARG 98 -8.408 -7.651 -4.576 742 HG3 ARG 98 2HG ARG 98 -9.946 -8.352 -5.082 743 HD2 ARG 98 1HD ARG 98 -10.821 -6.212 -5.657 744 HD3 ARG 98 2HD ARG 98 -9.457 -5.387 -4.904 745 HE ARG 98 HE ARG 98 -8.510 -7.084 -6.936 746 HH11 ARG 98 1HH1 ARG 98 -10.301 -4.129 -6.510 747 HH12 ARG 98 2HH1 ARG 98 -9.811 -3.460 -8.032 748 HH21 ARG 98 1HH2 ARG 98 -7.859 -6.214 -8.942 749 HH22 ARG 98 2HH2 ARG 98 -8.423 -4.647 -9.414 750 H SER 99 H SER 99 -8.403 -6.744 -1.099 751 HA SER 99 HA SER 99 -9.635 -7.325 1.513 752 HB2 SER 99 1HB SER 99 -6.883 -6.538 0.697 753 HB3 SER 99 2HB SER 99 -7.486 -5.899 2.226 754 HG SER 99 HG SER 99 -8.126 -8.297 2.479 755 HA PRO 100 HA PRO 100 -11.381 -3.311 1.789 756 HB2 PRO 100 1HB PRO 100 -10.944 -2.649 4.386 757 HB3 PRO 100 2HB PRO 100 -12.118 -3.875 3.891 758 HG2 PRO 100 1HG PRO 100 -9.328 -4.229 4.917 759 HG3 PRO 100 2HG PRO 100 -10.794 -5.137 5.328 760 HD2 PRO 100 1HD PRO 100 -8.942 -6.071 3.587 761 HD3 PRO 100 2HD PRO 100 -10.672 -6.438 3.429 762 H THR 101 H THR 101 -10.686 -1.412 1.054 763 HA THR 101 HA THR 101 -8.081 -0.635 0.727 764 HB THR 101 HB THR 101 -9.018 1.763 0.671 765 HG1 THR 101 1HG THR 101 -11.138 2.013 0.988 766 HG21 THR 101 3HG2 THR 101 -9.343 1.397 -1.513 767 HG22 THR 101 1HG2 THR 101 -10.697 0.309 -1.210 768 HG23 THR 101 2HG2 THR 101 -9.044 -0.305 -1.162 769 H GLN 102 H GLN 102 -6.520 0.241 1.948 770 HA GLN 102 HA GLN 102 -7.147 0.804 4.754 771 HB2 GLN 102 1HB GLN 102 -4.531 0.245 3.353 772 HB3 GLN 102 2HB GLN 102 -4.654 0.686 5.050 773 HG2 GLN 102 1HG GLN 102 -5.738 -1.782 3.721 774 HG3 GLN 102 2HG GLN 102 -4.434 -1.680 4.903 775 HE21 GLN 102 1HE2 GLN 102 -7.486 -2.629 4.568 776 HE22 GLN 102 2HE2 GLN 102 -8.089 -2.350 6.163 777 H SER 103 H SER 103 -7.049 2.795 5.580 778 HA SER 103 HA SER 103 -6.644 5.033 3.849 779 HB2 SER 103 1HB SER 103 -7.169 6.393 5.813 780 HB3 SER 103 2HB SER 103 -8.312 5.057 5.674 781 HG SER 103 HG SER 103 -6.594 4.003 7.146 782 H PHE 104 H PHE 104 -4.613 5.403 3.176 783 HA PHE 104 HA PHE 104 -2.513 5.606 5.234 784 HB2 PHE 104 1HB PHE 104 -2.410 3.811 3.288 785 HB3 PHE 104 2HB PHE 104 -1.809 5.183 2.364 786 HD1 PHE 104 2HD PHE 104 -1.256 3.633 5.716 787 HD2 PHE 104 1HD PHE 104 0.463 5.415 2.254 788 HE1 PHE 104 2HE PHE 104 0.992 3.268 6.649 789 HE2 PHE 104 1HE PHE 104 2.714 5.052 3.181 790 HZ PHE 104 HZ PHE 104 2.980 3.979 5.381 791 H ARG 105 H ARG 105 -0.779 7.170 4.721 792 HA ARG 105 HA ARG 105 -1.453 9.298 2.869 793 HB2 ARG 105 1HB ARG 105 -2.716 10.058 4.745 794 HB3 ARG 105 2HB ARG 105 -1.404 9.697 5.858 795 HG2 ARG 105 1HG ARG 105 -0.095 11.445 4.428 796 HG3 ARG 105 2HG ARG 105 -1.713 11.979 3.970 797 HD2 ARG 105 1HD ARG 105 -0.945 13.258 5.869 798 HD3 ARG 105 2HD ARG 105 -2.279 12.214 6.358 799 HE ARG 105 HE ARG 105 0.240 10.974 6.818 800 HH11 ARG 105 1HH1 ARG 105 -1.963 13.358 8.079 801 HH12 ARG 105 2HH1 ARG 105 -1.417 13.186 9.714 802 HH21 ARG 105 1HH2 ARG 105 0.966 10.739 8.967 803 HH22 ARG 105 2HH2 ARG 105 0.249 11.697 10.218 804 H PHE 106 H PHE 106 0.318 10.345 2.124 805 HA PHE 106 HA PHE 106 2.902 9.487 3.216 806 HB2 PHE 106 1HB PHE 106 2.316 10.793 0.551 807 HB3 PHE 106 2HB PHE 106 3.851 10.100 1.063 808 HD1 PHE 106 1HD PHE 106 3.265 7.554 2.142 809 HD2 PHE 106 2HD PHE 106 1.376 9.538 -1.115 810 HE1 PHE 106 1HE PHE 106 2.593 5.378 1.211 811 HE2 PHE 106 2HE PHE 106 0.699 7.365 -2.051 812 HZ PHE 106 HZ PHE 106 1.307 5.282 -0.887 813 H LEU 107 H LEU 107 4.247 10.877 4.178 814 HA LEU 107 HA LEU 107 3.406 13.663 4.408 815 HB2 LEU 107 1HB LEU 107 5.700 12.367 5.848 816 HB3 LEU 107 2HB LEU 107 4.798 13.811 6.303 817 HG LEU 107 HG LEU 107 3.563 11.066 6.273 818 HD11 LEU 107 1HD1 LEU 107 5.637 11.803 7.926 819 HD12 LEU 107 2HD1 LEU 107 4.449 10.542 8.249 820 HD13 LEU 107 3HD1 LEU 107 4.204 12.168 8.886 821 HD21 LEU 107 3HD2 LEU 107 1.762 12.402 6.474 822 HD22 LEU 107 1HD2 LEU 107 2.716 13.788 7.004 823 HD23 LEU 107 2HD2 LEU 107 2.283 12.523 8.156 824 HA PRO 108 HA PRO 108 6.477 15.230 1.680 825 HB2 PRO 108 1HB PRO 108 6.861 17.689 2.764 826 HB3 PRO 108 2HB PRO 108 5.405 17.254 1.860 827 HG2 PRO 108 1HG PRO 108 5.835 17.367 4.821 828 HG3 PRO 108 2HG PRO 108 4.449 17.931 3.869 829 HD2 PRO 108 1HD PRO 108 4.432 15.582 5.215 830 HD3 PRO 108 2HD PRO 108 3.548 15.817 3.693 831 H VAL 109 H VAL 109 8.690 15.648 1.510 832 HA VAL 109 HA VAL 109 10.249 14.868 3.859 833 HB VAL 109 HB VAL 109 11.295 15.239 1.057 834 HG11 VAL 109 1HG1 VAL 109 13.247 14.578 1.891 835 HG12 VAL 109 2HG1 VAL 109 12.540 14.709 3.502 836 HG13 VAL 109 3HG1 VAL 109 12.508 13.167 2.646 837 HG21 VAL 109 3HG2 VAL 109 10.486 13.261 0.376 838 HG22 VAL 109 1HG2 VAL 109 10.773 12.498 1.940 839 HG23 VAL 109 2HG2 VAL 109 9.318 13.461 1.683 840 H ILE 110 H ILE 110 9.064 17.625 3.157 841 HA ILE 110 HA ILE 110 11.470 19.250 2.975 842 HB ILE 110 HB ILE 110 8.579 20.092 3.225 843 HG12 ILE 110 1HG1 ILE 110 10.343 20.207 0.778 844 HG13 ILE 110 2HG1 ILE 110 9.284 18.843 1.121 845 HG21 ILE 110 1HG2 ILE 110 9.821 21.898 4.020 846 HG22 ILE 110 2HG2 ILE 110 11.126 21.630 2.866 847 HG23 ILE 110 3HG2 ILE 110 9.580 22.274 2.314 848 HD11 ILE 110 3HD1 ILE 110 7.348 20.191 0.926 849 HD12 ILE 110 1HD1 ILE 110 8.304 21.672 0.895 850 HD13 ILE 110 2HD1 ILE 110 8.373 20.549 -0.464 851 H CYS 111 H CYS 111 12.521 20.030 4.675 852 HA CYS 111 HA CYS 111 11.616 19.496 7.335 853 HB2 CYS 111 1HB CYS 111 13.701 20.632 8.025 854 HB3 CYS 111 2HB CYS 111 13.988 19.393 6.809 855 HG CYS 111 HG CYS 111 14.658 21.010 4.793 856 H LYS 112 H LYS 112 11.521 21.182 9.028 857 HA LYS 112 HA LYS 112 10.316 23.663 7.988 858 HB2 LYS 112 1HB LYS 112 8.949 23.662 10.094 859 HB3 LYS 112 2HB LYS 112 8.574 22.358 8.975 860 HG2 LYS 112 1HG LYS 112 10.554 21.835 11.127 861 HG3 LYS 112 2HG LYS 112 8.845 21.930 11.558 862 HD2 LYS 112 1HD LYS 112 9.648 20.256 9.226 863 HD3 LYS 112 2HD LYS 112 9.947 19.644 10.854 864 HE2 LYS 112 1HE LYS 112 7.269 20.642 9.895 865 HE3 LYS 112 2HE LYS 112 7.760 18.949 9.849 866 HZ1 LYS 112 3HZ LYS 112 7.084 20.626 12.148 867 HZ2 LYS 112 1HZ LYS 112 8.263 19.432 12.367 868 HZ3 LYS 112 2HZ LYS 112 6.711 19.004 11.848 869 H GLU 113 H GLU 113 10.875 25.590 8.934 870 HA GLU 113 HA GLU 113 12.294 25.808 11.379 871 HB2 GLU 113 1HB GLU 113 14.439 26.665 10.366 872 HB3 GLU 113 2HB GLU 113 14.183 24.931 10.230 873 HG2 GLU 113 1HG GLU 113 13.469 25.198 7.924 874 HG3 GLU 113 2HG GLU 113 13.670 26.944 8.052 875 H GLU 114 H GLU 114 13.256 28.098 11.594 876 HA GLU 114 HA GLU 114 11.209 29.942 10.743 877 HB2 GLU 114 1HB GLU 114 12.349 29.882 13.037 878 HB3 GLU 114 2HB GLU 114 13.720 30.650 12.249 879 HG2 GLU 114 1HG GLU 114 12.033 32.415 11.472 880 HG3 GLU 114 2HG GLU 114 10.968 31.734 12.700 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -16.420 -12.972 18.286 2 HA2 GLY 1 1HA GLY 1 -17.473 -15.006 20.152 3 HA3 GLY 1 2HA GLY 1 -18.467 -14.063 19.051 4 H SER 2 H SER 2 -17.132 -14.282 16.685 5 HA SER 2 HA SER 2 -16.557 -17.069 16.154 6 HB2 SER 2 1HB SER 2 -19.097 -15.740 15.272 7 HB3 SER 2 2HB SER 2 -18.353 -16.968 14.249 8 HG SER 2 HG SER 2 -19.414 -18.283 15.508 9 H SER 3 H SER 3 -15.166 -17.284 14.501 10 HA SER 3 HA SER 3 -14.750 -14.949 12.750 11 HB2 SER 3 1HB SER 3 -12.687 -16.820 13.932 12 HB3 SER 3 2HB SER 3 -12.337 -15.638 12.671 13 HG SER 3 HG SER 3 -12.862 -13.998 14.090 14 H GLY 4 H GLY 4 -15.954 -15.704 11.033 15 HA2 GLY 4 1HA GLY 4 -14.884 -18.129 9.727 16 HA3 GLY 4 2HA GLY 4 -16.604 -17.774 9.760 17 H SER 5 H SER 5 -13.487 -16.689 8.525 18 HA SER 5 HA SER 5 -14.639 -14.719 6.783 19 HB2 SER 5 1HB SER 5 -12.367 -14.459 5.912 20 HB3 SER 5 2HB SER 5 -12.345 -14.486 7.675 21 HG SER 5 HG SER 5 -10.910 -15.964 6.134 22 H SER 6 H SER 6 -14.267 -14.785 4.407 23 HA SER 6 HA SER 6 -14.984 -17.441 3.388 24 HB2 SER 6 1HB SER 6 -15.538 -14.644 2.469 25 HB3 SER 6 2HB SER 6 -15.568 -15.960 1.296 26 HG SER 6 HG SER 6 -17.414 -16.568 2.080 27 H GLY 7 H GLY 7 -12.332 -17.221 3.949 28 HA2 GLY 7 1HA GLY 7 -10.248 -17.502 3.029 29 HA3 GLY 7 2HA GLY 7 -11.096 -17.949 1.556 30 H LEU 8 H LEU 8 -11.162 -14.820 3.198 31 HA LEU 8 HA LEU 8 -9.922 -13.642 0.798 32 HB2 LEU 8 1HB LEU 8 -11.912 -12.424 2.708 33 HB3 LEU 8 2HB LEU 8 -11.163 -11.586 1.350 34 HG LEU 8 HG LEU 8 -12.936 -14.006 1.056 35 HD11 LEU 8 1HD1 LEU 8 -13.733 -11.482 1.872 36 HD12 LEU 8 2HD1 LEU 8 -14.754 -12.730 1.159 37 HD13 LEU 8 3HD1 LEU 8 -14.031 -11.491 0.134 38 HD21 LEU 8 3HD2 LEU 8 -12.666 -13.810 -1.174 39 HD22 LEU 8 1HD2 LEU 8 -11.148 -13.041 -0.709 40 HD23 LEU 8 2HD2 LEU 8 -12.550 -12.050 -1.116 41 HA PRO 9 HA PRO 9 -6.653 -12.050 3.262 42 HB2 PRO 9 1HB PRO 9 -6.074 -9.765 1.916 43 HB3 PRO 9 2HB PRO 9 -5.675 -11.371 1.297 44 HG2 PRO 9 1HG PRO 9 -7.984 -9.596 0.608 45 HG3 PRO 9 2HG PRO 9 -6.958 -10.565 -0.466 46 HD2 PRO 9 1HD PRO 9 -9.421 -11.374 0.316 47 HD3 PRO 9 2HD PRO 9 -8.098 -12.514 -0.004 48 H GLN 10 H GLN 10 -6.545 -10.946 5.119 49 HA GLN 10 HA GLN 10 -8.308 -8.612 5.464 50 HB2 GLN 10 1HB GLN 10 -9.070 -10.668 6.695 51 HB3 GLN 10 2HB GLN 10 -7.580 -10.591 7.626 52 HG2 GLN 10 1HG GLN 10 -8.201 -8.497 8.584 53 HG3 GLN 10 2HG GLN 10 -9.594 -8.362 7.512 54 HE21 GLN 10 1HE2 GLN 10 -9.028 -8.677 10.552 55 HE22 GLN 10 2HE2 GLN 10 -10.218 -9.830 11.040 56 H VAL 11 H VAL 11 -7.574 -7.009 6.985 57 HA VAL 11 HA VAL 11 -4.681 -7.090 7.523 58 HB VAL 11 HB VAL 11 -6.200 -4.699 6.472 59 HG11 VAL 11 1HG1 VAL 11 -4.349 -3.400 6.798 60 HG12 VAL 11 2HG1 VAL 11 -4.189 -4.493 8.175 61 HG13 VAL 11 3HG1 VAL 11 -3.238 -4.767 6.715 62 HG21 VAL 11 3HG2 VAL 11 -4.632 -6.811 5.179 63 HG22 VAL 11 1HG2 VAL 11 -5.826 -5.704 4.501 64 HG23 VAL 11 2HG2 VAL 11 -4.160 -5.172 4.728 65 H GLU 12 H GLU 12 -4.700 -7.320 9.691 66 HA GLU 12 HA GLU 12 -6.620 -6.135 11.409 67 HB2 GLU 12 1HB GLU 12 -5.019 -8.181 11.774 68 HB3 GLU 12 2HB GLU 12 -3.909 -6.958 12.377 69 HG2 GLU 12 1HG GLU 12 -5.177 -6.511 14.221 70 HG3 GLU 12 2HG GLU 12 -6.682 -6.991 13.439 71 H ALA 13 H ALA 13 -3.153 -5.425 10.955 72 HA ALA 13 HA ALA 13 -3.629 -2.595 11.168 73 HB1 ALA 13 3HB ALA 13 -2.846 -2.140 13.236 74 HB2 ALA 13 1HB ALA 13 -3.395 -3.784 13.565 75 HB3 ALA 13 2HB ALA 13 -1.694 -3.476 13.214 76 H TYR 14 H TYR 14 -1.873 -1.351 10.483 77 HA TYR 14 HA TYR 14 0.353 -2.903 9.333 78 HB2 TYR 14 1HB TYR 14 0.513 -0.906 7.730 79 HB3 TYR 14 2HB TYR 14 -0.838 -2.013 7.509 80 HD1 TYR 14 1HD TYR 14 0.130 1.311 8.798 81 HD2 TYR 14 2HD TYR 14 -3.087 -1.277 7.772 82 HE1 TYR 14 1HE TYR 14 -1.436 3.200 8.969 83 HE2 TYR 14 2HE TYR 14 -4.662 0.604 7.939 84 HH TYR 14 HH TYR 14 -4.565 2.964 9.345 85 H SER 15 H SER 15 2.364 -1.553 8.991 86 HA SER 15 HA SER 15 2.789 0.694 10.718 87 HB2 SER 15 1HB SER 15 2.856 -1.475 12.182 88 HB3 SER 15 2HB SER 15 4.442 -1.703 11.446 89 HG SER 15 HG SER 15 3.563 0.260 13.226 90 HA PRO 16 HA PRO 16 4.322 2.020 11.333 91 HB2 PRO 16 1HB PRO 16 4.867 4.370 10.090 92 HB3 PRO 16 2HB PRO 16 6.110 3.388 10.874 93 HG2 PRO 16 1HG PRO 16 5.392 3.572 7.974 94 HG3 PRO 16 2HG PRO 16 6.996 3.525 8.728 95 HD2 PRO 16 1HD PRO 16 5.855 1.347 7.592 96 HD3 PRO 16 2HD PRO 16 6.943 1.235 8.990 97 H SER 17 H SER 17 2.617 3.554 11.630 98 HA SER 17 HA SER 17 0.288 3.017 10.193 99 HB2 SER 17 1HB SER 17 0.074 3.858 12.413 100 HB3 SER 17 2HB SER 17 1.016 5.299 12.033 101 HG SER 17 HG SER 17 -1.102 5.909 11.990 102 H ALA 18 H ALA 18 2.755 5.441 9.721 103 HA ALA 18 HA ALA 18 1.476 6.193 7.196 104 HB1 ALA 18 3HB ALA 18 2.042 7.999 9.475 105 HB2 ALA 18 1HB ALA 18 2.381 8.606 7.854 106 HB3 ALA 18 2HB ALA 18 0.756 8.060 8.270 107 H CYS 19 H CYS 19 3.077 7.744 5.975 108 HA CYS 19 HA CYS 19 5.863 7.358 6.488 109 HB2 CYS 19 1HB CYS 19 4.857 5.165 5.390 110 HB3 CYS 19 2HB CYS 19 5.020 6.106 3.912 111 HG CYS 19 HG CYS 19 7.685 5.763 6.002 112 H SER 20 H SER 20 7.126 8.019 4.357 113 HA SER 20 HA SER 20 5.965 10.575 3.568 114 HB2 SER 20 1HB SER 20 8.744 9.501 3.032 115 HB3 SER 20 2HB SER 20 8.199 11.164 2.818 116 HG SER 20 HG SER 20 7.958 11.346 5.031 117 H VAL 21 H VAL 21 5.615 11.207 1.457 118 HA VAL 21 HA VAL 21 4.553 9.495 -0.355 119 HB VAL 21 HB VAL 21 5.002 11.154 -2.117 120 HG11 VAL 21 1HG1 VAL 21 4.216 12.355 0.537 121 HG12 VAL 21 2HG1 VAL 21 3.879 13.058 -1.047 122 HG13 VAL 21 3HG1 VAL 21 3.146 11.520 -0.589 123 HG21 VAL 21 3HG2 VAL 21 7.032 12.054 -0.156 124 HG22 VAL 21 1HG2 VAL 21 7.080 12.048 -1.919 125 HG23 VAL 21 2HG2 VAL 21 6.184 13.304 -1.065 126 H ARG 22 H ARG 22 7.953 10.165 0.132 127 HA ARG 22 HA ARG 22 8.864 8.892 -2.251 128 HB2 ARG 22 1HB ARG 22 11.091 8.975 -1.157 129 HB3 ARG 22 2HB ARG 22 10.267 10.528 -1.165 130 HG2 ARG 22 1HG ARG 22 9.544 10.074 1.178 131 HG3 ARG 22 2HG ARG 22 10.570 8.638 1.154 132 HD2 ARG 22 1HD ARG 22 11.714 11.293 0.403 133 HD3 ARG 22 2HD ARG 22 11.482 10.893 2.104 134 HE ARG 22 HE ARG 22 13.559 9.969 0.448 135 HH11 ARG 22 1HH1 ARG 22 11.346 8.831 2.883 136 HH12 ARG 22 2HH1 ARG 22 12.405 7.581 3.447 137 HH21 ARG 22 1HH2 ARG 22 14.962 8.327 1.182 138 HH22 ARG 22 2HH2 ARG 22 14.462 7.296 2.479 139 H GLY 23 H GLY 23 8.307 7.845 1.065 140 HA2 GLY 23 1HA GLY 23 8.054 5.725 1.927 141 HA3 GLY 23 2HA GLY 23 8.070 5.117 0.278 142 H GLY 24 H GLY 24 9.495 3.488 0.284 143 HA2 GLY 24 1HA GLY 24 11.582 2.505 0.233 144 HA3 GLY 24 2HA GLY 24 12.279 4.073 0.612 145 H GLU 25 H GLU 25 9.868 2.350 2.524 146 HA GLU 25 HA GLU 25 11.910 1.857 4.581 147 HB2 GLU 25 1HB GLU 25 9.298 3.300 4.859 148 HB3 GLU 25 2HB GLU 25 9.954 2.408 6.225 149 HG2 GLU 25 1HG GLU 25 12.114 3.768 5.729 150 HG3 GLU 25 2HG GLU 25 11.012 4.845 4.872 151 H GLU 26 H GLU 26 10.934 0.410 6.371 152 HA GLU 26 HA GLU 26 9.880 -1.936 5.047 153 HB2 GLU 26 1HB GLU 26 11.738 -1.964 6.774 154 HB3 GLU 26 2HB GLU 26 10.507 -1.622 7.981 155 HG2 GLU 26 1HG GLU 26 9.361 -3.688 7.434 156 HG3 GLU 26 2HG GLU 26 10.541 -4.025 6.169 157 H LEU 27 H LEU 27 7.750 -1.918 4.664 158 HA LEU 27 HA LEU 27 5.941 -0.946 6.762 159 HB2 LEU 27 1HB LEU 27 5.728 0.049 4.518 160 HB3 LEU 27 2HB LEU 27 5.373 -1.548 3.863 161 HG LEU 27 HG LEU 27 3.323 -1.614 5.256 162 HD11 LEU 27 1HD1 LEU 27 4.447 0.943 6.205 163 HD12 LEU 27 2HD1 LEU 27 3.435 -0.236 7.039 164 HD13 LEU 27 3HD1 LEU 27 2.707 0.913 5.917 165 HD21 LEU 27 3HD2 LEU 27 3.735 0.556 3.228 166 HD22 LEU 27 1HD2 LEU 27 2.157 0.274 3.963 167 HD23 LEU 27 2HD2 LEU 27 2.940 -1.007 3.037 168 H VAL 28 H VAL 28 5.460 -2.562 8.121 169 HA VAL 28 HA VAL 28 5.048 -5.263 7.106 170 HB VAL 28 HB VAL 28 5.022 -4.215 9.940 171 HG11 VAL 28 1HG1 VAL 28 4.904 -7.042 8.894 172 HG12 VAL 28 2HG1 VAL 28 5.115 -6.591 10.587 173 HG13 VAL 28 3HG1 VAL 28 3.621 -6.180 9.744 174 HG21 VAL 28 3HG2 VAL 28 7.233 -4.486 9.986 175 HG22 VAL 28 1HG2 VAL 28 7.118 -6.084 9.249 176 HG23 VAL 28 2HG2 VAL 28 7.172 -4.646 8.231 177 H LEU 29 H LEU 29 3.112 -6.148 6.768 178 HA LEU 29 HA LEU 29 0.739 -4.657 7.663 179 HB2 LEU 29 1HB LEU 29 1.123 -6.553 5.354 180 HB3 LEU 29 2HB LEU 29 -0.438 -5.896 5.843 181 HG LEU 29 HG LEU 29 1.886 -4.196 4.953 182 HD11 LEU 29 1HD1 LEU 29 0.786 -4.016 2.808 183 HD12 LEU 29 2HD1 LEU 29 -0.493 -5.107 3.341 184 HD13 LEU 29 3HD1 LEU 29 1.155 -5.706 3.152 185 HD21 LEU 29 3HD2 LEU 29 -0.212 -2.683 4.494 186 HD22 LEU 29 1HD2 LEU 29 0.512 -2.766 6.100 187 HD23 LEU 29 2HD2 LEU 29 -0.943 -3.696 5.740 188 H THR 30 H THR 30 -0.288 -5.512 9.333 189 HA THR 30 HA THR 30 0.071 -8.325 9.991 190 HB THR 30 HB THR 30 -1.482 -6.236 11.528 191 HG1 THR 30 1HG THR 30 1.251 -6.824 11.387 192 HG21 THR 30 3HG2 THR 30 -1.253 -9.029 11.835 193 HG22 THR 30 1HG2 THR 30 -1.979 -7.875 12.952 194 HG23 THR 30 2HG2 THR 30 -0.275 -8.300 13.108 195 H GLY 31 H GLY 31 -1.540 -9.850 10.040 196 HA2 GLY 31 1HA GLY 31 -4.273 -9.475 9.954 197 HA3 GLY 31 2HA GLY 31 -3.747 -9.453 8.277 198 H SER 32 H SER 32 -4.969 -11.351 7.884 199 HA SER 32 HA SER 32 -3.493 -13.775 8.508 200 HB2 SER 32 1HB SER 32 -5.336 -13.352 10.286 201 HB3 SER 32 2HB SER 32 -6.461 -13.798 9.003 202 HG SER 32 HG SER 32 -4.805 -15.372 10.498 203 H ASN 33 H ASN 33 -4.532 -15.694 7.334 204 HA ASN 33 HA ASN 33 -4.970 -16.640 5.308 205 HB2 ASN 33 1HB ASN 33 -7.113 -14.550 5.570 206 HB3 ASN 33 2HB ASN 33 -7.021 -15.560 4.130 207 HD21 ASN 33 1HD2 ASN 33 -8.860 -16.704 4.449 208 HD22 ASN 33 2HD2 ASN 33 -9.097 -17.800 5.764 209 H PHE 34 H PHE 34 -2.783 -15.136 5.091 210 HA PHE 34 HA PHE 34 -3.108 -13.373 2.780 211 HB2 PHE 34 1HB PHE 34 -0.891 -13.829 4.756 212 HB3 PHE 34 2HB PHE 34 -0.575 -13.019 3.225 213 HD1 PHE 34 1HD PHE 34 -2.939 -11.379 2.845 214 HD2 PHE 34 2HD PHE 34 -0.755 -12.220 6.400 215 HE1 PHE 34 1HE PHE 34 -3.704 -9.251 3.814 216 HE2 PHE 34 2HE PHE 34 -1.516 -10.093 7.375 217 HZ PHE 34 HZ PHE 34 -2.993 -8.606 6.082 218 H LEU 35 H LEU 35 -1.316 -13.539 1.099 219 HA LEU 35 HA LEU 35 -0.860 -16.380 0.462 220 HB2 LEU 35 1HB LEU 35 -1.667 -14.055 -1.215 221 HB3 LEU 35 2HB LEU 35 -0.693 -15.328 -1.947 222 HG LEU 35 HG LEU 35 -3.175 -16.101 -0.494 223 HD11 LEU 35 1HD1 LEU 35 -3.270 -14.129 -2.443 224 HD12 LEU 35 2HD1 LEU 35 -4.608 -15.135 -1.891 225 HD13 LEU 35 3HD1 LEU 35 -3.666 -15.617 -3.301 226 HD21 LEU 35 3HD2 LEU 35 -1.540 -17.124 -2.788 227 HD22 LEU 35 1HD2 LEU 35 -3.195 -17.675 -2.529 228 HD23 LEU 35 2HD2 LEU 35 -1.975 -17.933 -1.282 229 HA PRO 36 HA PRO 36 3.467 -15.642 0.335 230 HB2 PRO 36 1HB PRO 36 4.231 -17.417 -1.572 231 HB3 PRO 36 2HB PRO 36 3.718 -17.908 0.046 232 HG2 PRO 36 1HG PRO 36 2.160 -17.887 -2.510 233 HG3 PRO 36 2HG PRO 36 2.214 -19.126 -1.243 234 HD2 PRO 36 1HD PRO 36 0.190 -17.340 -1.447 235 HD3 PRO 36 2HD PRO 36 0.740 -17.984 0.112 236 H ASP 37 H ASP 37 1.588 -15.377 -2.593 237 HA ASP 37 HA ASP 37 3.658 -13.607 -3.720 238 HB2 ASP 37 1HB ASP 37 1.631 -15.055 -5.406 239 HB3 ASP 37 2HB ASP 37 3.160 -14.333 -5.900 240 H SER 38 H SER 38 1.555 -12.842 -1.914 241 HA SER 38 HA SER 38 -0.686 -11.757 -3.190 242 HB2 SER 38 1HB SER 38 0.707 -11.301 -0.602 243 HB3 SER 38 2HB SER 38 -0.413 -10.050 -1.140 244 HG SER 38 HG SER 38 -1.809 -12.087 -1.528 245 H LYS 39 H LYS 39 -1.178 -9.561 -3.730 246 HA LYS 39 HA LYS 39 1.186 -8.029 -4.599 247 HB2 LYS 39 1HB LYS 39 -0.280 -9.042 -6.408 248 HB3 LYS 39 2HB LYS 39 -1.542 -7.935 -5.886 249 HG2 LYS 39 1HG LYS 39 -0.287 -6.044 -6.535 250 HG3 LYS 39 2HG LYS 39 1.181 -7.002 -6.746 251 HD2 LYS 39 1HD LYS 39 -1.281 -7.571 -8.362 252 HD3 LYS 39 2HD LYS 39 -0.153 -6.300 -8.842 253 HE2 LYS 39 1HE LYS 39 0.749 -8.048 -9.993 254 HE3 LYS 39 2HE LYS 39 1.614 -8.235 -8.468 255 HZ1 LYS 39 3HZ LYS 39 -0.832 -9.615 -8.320 256 HZ2 LYS 39 1HZ LYS 39 0.739 -10.239 -8.235 257 HZ3 LYS 39 2HZ LYS 39 -0.032 -10.087 -9.733 258 H VAL 40 H VAL 40 1.079 -5.746 -4.487 259 HA VAL 40 HA VAL 40 -1.128 -4.620 -2.917 260 HB VAL 40 HB VAL 40 1.793 -4.203 -2.265 261 HG11 VAL 40 1HG1 VAL 40 0.302 -3.151 -0.210 262 HG12 VAL 40 2HG1 VAL 40 1.089 -2.227 -1.491 263 HG13 VAL 40 3HG1 VAL 40 -0.610 -2.676 -1.642 264 HG21 VAL 40 3HG2 VAL 40 0.671 -6.388 -1.569 265 HG22 VAL 40 1HG2 VAL 40 1.453 -5.443 -0.302 266 HG23 VAL 40 2HG2 VAL 40 -0.302 -5.403 -0.477 267 H VAL 41 H VAL 41 -1.916 -2.918 -3.950 268 HA VAL 41 HA VAL 41 -0.066 -1.193 -5.458 269 HB VAL 41 HB VAL 41 -1.613 -0.922 -7.242 270 HG11 VAL 41 1HG1 VAL 41 -1.479 -2.998 -8.254 271 HG12 VAL 41 2HG1 VAL 41 -0.246 -3.118 -6.997 272 HG13 VAL 41 3HG1 VAL 41 -1.826 -3.865 -6.759 273 HG21 VAL 41 3HG2 VAL 41 -3.802 -2.174 -7.234 274 HG22 VAL 41 1HG2 VAL 41 -3.534 -2.469 -5.516 275 HG23 VAL 41 2HG2 VAL 41 -3.699 -0.817 -6.112 276 H PHE 42 H PHE 42 -0.621 1.013 -5.569 277 HA PHE 42 HA PHE 42 -2.446 1.866 -3.431 278 HB2 PHE 42 1HB PHE 42 -0.070 3.204 -4.721 279 HB3 PHE 42 2HB PHE 42 -1.191 4.073 -3.678 280 HD1 PHE 42 2HD PHE 42 0.753 0.885 -3.638 281 HD2 PHE 42 1HD PHE 42 -0.576 4.310 -1.488 282 HE1 PHE 42 2HE PHE 42 2.013 0.131 -1.664 283 HE2 PHE 42 1HE PHE 42 0.684 3.561 0.489 284 HZ PHE 42 HZ PHE 42 1.980 1.469 0.403 285 H ILE 43 H ILE 43 -3.624 3.923 -3.804 286 HA ILE 43 HA ILE 43 -4.325 4.341 -6.628 287 HB ILE 43 HB ILE 43 -6.711 4.588 -5.961 288 HG12 ILE 43 1HG1 ILE 43 -5.897 3.198 -3.407 289 HG13 ILE 43 2HG1 ILE 43 -6.158 4.936 -3.510 290 HG21 ILE 43 1HG2 ILE 43 -6.130 1.827 -5.154 291 HG22 ILE 43 2HG2 ILE 43 -7.097 2.440 -6.494 292 HG23 ILE 43 3HG2 ILE 43 -5.342 2.349 -6.643 293 HD11 ILE 43 3HD1 ILE 43 -8.360 4.703 -3.383 294 HD12 ILE 43 1HD1 ILE 43 -8.377 3.426 -4.600 295 HD13 ILE 43 2HD1 ILE 43 -8.048 3.032 -2.912 296 H GLU 44 H GLU 44 -5.322 6.404 -7.076 297 HA GLU 44 HA GLU 44 -5.064 8.429 -4.981 298 HB2 GLU 44 1HB GLU 44 -2.925 8.528 -6.086 299 HB3 GLU 44 2HB GLU 44 -3.690 8.547 -7.668 300 HG2 GLU 44 1HG GLU 44 -4.776 10.729 -6.936 301 HG3 GLU 44 2HG GLU 44 -3.621 10.719 -5.605 302 H ARG 45 H ARG 45 -6.815 9.664 -4.939 303 HA ARG 45 HA ARG 45 -8.686 9.573 -7.159 304 HB2 ARG 45 1HB ARG 45 -8.844 10.689 -4.363 305 HB3 ARG 45 2HB ARG 45 -10.114 10.945 -5.553 306 HG2 ARG 45 1HG ARG 45 -10.374 8.500 -5.754 307 HG3 ARG 45 2HG ARG 45 -9.167 8.296 -4.482 308 HD2 ARG 45 1HD ARG 45 -11.700 9.887 -4.133 309 HD3 ARG 45 2HD ARG 45 -11.567 8.175 -3.734 310 HE ARG 45 HE ARG 45 -10.304 8.722 -1.881 311 HH11 ARG 45 1HH1 ARG 45 -10.791 11.531 -3.879 312 HH12 ARG 45 2HH1 ARG 45 -10.203 12.642 -2.686 313 HH21 ARG 45 1HH2 ARG 45 -9.527 10.174 -0.303 314 HH22 ARG 45 2HH2 ARG 45 -9.483 11.869 -0.653 315 H GLY 46 H GLY 46 -9.060 11.180 -8.570 316 HA2 GLY 46 1HA GLY 46 -7.493 13.651 -8.225 317 HA3 GLY 46 2HA GLY 46 -8.036 13.002 -9.766 318 HA PRO 47 HA PRO 47 -10.965 16.314 -8.041 319 HB2 PRO 47 1HB PRO 47 -10.367 18.287 -9.807 320 HB3 PRO 47 2HB PRO 47 -9.533 18.097 -8.260 321 HG2 PRO 47 1HG PRO 47 -8.671 17.237 -10.995 322 HG3 PRO 47 2HG PRO 47 -7.719 18.007 -9.713 323 HD2 PRO 47 1HD PRO 47 -7.620 15.346 -10.202 324 HD3 PRO 47 2HD PRO 47 -7.415 16.026 -8.575 325 H ASP 48 H ASP 48 -10.339 14.571 -10.841 326 HA ASP 48 HA ASP 48 -12.403 15.651 -12.511 327 HB2 ASP 48 1HB ASP 48 -10.690 14.588 -13.706 328 HB3 ASP 48 2HB ASP 48 -10.672 13.198 -12.624 329 H GLY 49 H GLY 49 -12.091 12.782 -10.441 330 HA2 GLY 49 1HA GLY 49 -14.390 12.543 -9.221 331 HA3 GLY 49 2HA GLY 49 -14.934 12.194 -10.855 332 H LYS 50 H LYS 50 -12.466 10.806 -11.580 333 HA LYS 50 HA LYS 50 -12.920 8.324 -10.060 334 HB2 LYS 50 1HB LYS 50 -12.184 7.133 -12.102 335 HB3 LYS 50 2HB LYS 50 -13.627 8.103 -12.365 336 HG2 LYS 50 1HG LYS 50 -11.936 9.908 -13.174 337 HG3 LYS 50 2HG LYS 50 -10.851 8.529 -13.367 338 HD2 LYS 50 1HD LYS 50 -12.704 7.434 -14.704 339 HD3 LYS 50 2HD LYS 50 -13.509 9.005 -14.699 340 HE2 LYS 50 1HE LYS 50 -10.665 8.750 -15.601 341 HE3 LYS 50 2HE LYS 50 -11.989 8.359 -16.698 342 HZ1 LYS 50 3HZ LYS 50 -10.955 10.868 -16.120 343 HZ2 LYS 50 1HZ LYS 50 -12.500 10.826 -15.431 344 HZ3 LYS 50 2HZ LYS 50 -12.300 10.503 -17.079 345 H LEU 51 H LEU 51 -11.118 6.967 -9.624 346 HA LEU 51 HA LEU 51 -8.611 8.465 -9.378 347 HB2 LEU 51 1HB LEU 51 -8.009 6.551 -7.824 348 HB3 LEU 51 2HB LEU 51 -9.275 7.655 -7.289 349 HG LEU 51 HG LEU 51 -10.963 5.973 -8.003 350 HD11 LEU 51 1HD1 LEU 51 -9.667 3.596 -8.061 351 HD12 LEU 51 2HD1 LEU 51 -8.528 4.622 -8.931 352 HD13 LEU 51 3HD1 LEU 51 -10.194 4.481 -9.493 353 HD21 LEU 51 3HD2 LEU 51 -10.917 5.410 -5.859 354 HD22 LEU 51 1HD2 LEU 51 -9.238 5.939 -5.744 355 HD23 LEU 51 2HD2 LEU 51 -9.609 4.271 -6.183 356 H GLN 52 H GLN 52 -6.713 7.775 -10.254 357 HA GLN 52 HA GLN 52 -6.523 5.166 -11.500 358 HB2 GLN 52 1HB GLN 52 -5.899 6.079 -13.706 359 HB3 GLN 52 2HB GLN 52 -7.565 6.447 -13.279 360 HG2 GLN 52 1HG GLN 52 -6.563 8.681 -12.407 361 HG3 GLN 52 2HG GLN 52 -5.211 8.266 -13.459 362 HE21 GLN 52 1HE2 GLN 52 -5.622 8.001 -15.713 363 HE22 GLN 52 2HE2 GLN 52 -6.951 8.813 -16.459 364 H TRP 53 H TRP 53 -4.713 4.536 -10.495 365 HA TRP 53 HA TRP 53 -2.258 5.967 -11.066 366 HB2 TRP 53 1HB TRP 53 -3.132 6.955 -8.929 367 HB3 TRP 53 2HB TRP 53 -2.997 5.359 -8.197 368 HD1 TRP 53 HD TRP 53 -0.260 6.581 -10.559 369 HE1 TRP 53 1HE TRP 53 1.896 6.958 -9.204 370 HE3 TRP 53 3HE TRP 53 -2.143 5.956 -5.847 371 HZ2 TRP 53 2HZ TRP 53 2.692 6.986 -6.496 372 HZ3 TRP 53 3HZ TRP 53 -0.618 6.174 -3.929 373 HH2 TRP 53 HH TRP 53 1.750 6.678 -4.249 374 H GLU 54 H GLU 54 -1.048 4.407 -11.911 375 HA GLU 54 HA GLU 54 -1.226 1.698 -10.794 376 HB2 GLU 54 1HB GLU 54 -1.631 1.813 -13.177 377 HB3 GLU 54 2HB GLU 54 -0.131 2.696 -13.427 378 HG2 GLU 54 1HG GLU 54 1.185 0.809 -12.962 379 HG3 GLU 54 2HG GLU 54 -0.176 -0.068 -12.266 380 H GLU 55 H GLU 55 0.192 1.440 -9.183 381 HA GLU 55 HA GLU 55 3.015 1.885 -9.759 382 HB2 GLU 55 1HB GLU 55 1.482 3.222 -7.559 383 HB3 GLU 55 2HB GLU 55 3.174 2.810 -7.316 384 HG2 GLU 55 1HG GLU 55 2.270 4.393 -9.694 385 HG3 GLU 55 2HG GLU 55 2.615 5.158 -8.144 386 H GLU 56 H GLU 56 3.999 0.027 -9.359 387 HA GLU 56 HA GLU 56 2.821 -1.857 -7.468 388 HB2 GLU 56 1HB GLU 56 3.417 -2.725 -9.659 389 HB3 GLU 56 2HB GLU 56 5.073 -2.168 -9.460 390 HG2 GLU 56 1HG GLU 56 5.180 -4.445 -9.019 391 HG3 GLU 56 2HG GLU 56 5.158 -3.700 -7.422 392 H ALA 57 H ALA 57 3.783 -2.536 -5.613 393 HA ALA 57 HA ALA 57 6.259 -1.139 -4.836 394 HB1 ALA 57 3HB ALA 57 5.416 -1.628 -2.469 395 HB2 ALA 57 1HB ALA 57 4.584 -0.378 -3.395 396 HB3 ALA 57 2HB ALA 57 3.867 -1.982 -3.233 397 H THR 58 H THR 58 7.968 -2.285 -4.092 398 HA THR 58 HA THR 58 8.250 -4.985 -4.745 399 HB THR 58 HB THR 58 9.872 -3.444 -2.710 400 HG1 THR 58 1HG THR 58 9.879 -3.516 -5.526 401 HG21 THR 58 3HG2 THR 58 10.820 -5.711 -4.437 402 HG22 THR 58 1HG2 THR 58 10.078 -6.002 -2.865 403 HG23 THR 58 2HG2 THR 58 11.558 -5.049 -2.979 404 H VAL 59 H VAL 59 8.238 -6.872 -3.548 405 HA VAL 59 HA VAL 59 7.142 -6.691 -0.820 406 HB VAL 59 HB VAL 59 6.327 -8.684 -2.940 407 HG11 VAL 59 1HG1 VAL 59 6.324 -9.839 -0.882 408 HG12 VAL 59 2HG1 VAL 59 5.643 -8.458 -0.020 409 HG13 VAL 59 3HG1 VAL 59 4.651 -9.361 -1.166 410 HG21 VAL 59 3HG2 VAL 59 4.272 -7.600 -3.078 411 HG22 VAL 59 1HG2 VAL 59 4.514 -6.742 -1.556 412 HG23 VAL 59 2HG2 VAL 59 5.423 -6.267 -2.990 413 H ASN 60 H ASN 60 8.095 -7.948 0.679 414 HA ASN 60 HA ASN 60 10.335 -9.616 -0.207 415 HB2 ASN 60 1HB ASN 60 10.681 -7.785 1.498 416 HB3 ASN 60 2HB ASN 60 9.696 -8.731 2.611 417 HD21 ASN 60 1HD2 ASN 60 11.489 -8.848 4.014 418 HD22 ASN 60 2HD2 ASN 60 12.785 -9.951 3.712 419 H ARG 61 H ARG 61 9.592 -11.614 -0.666 420 HA ARG 61 HA ARG 61 7.484 -12.892 0.747 421 HB2 ARG 61 1HB ARG 61 9.533 -13.848 -1.238 422 HB3 ARG 61 2HB ARG 61 8.401 -14.960 -0.480 423 HG2 ARG 61 1HG ARG 61 7.489 -14.353 -2.578 424 HG3 ARG 61 2HG ARG 61 6.546 -13.515 -1.344 425 HD2 ARG 61 1HD ARG 61 7.832 -11.476 -1.741 426 HD3 ARG 61 2HD ARG 61 8.794 -12.314 -2.958 427 HE ARG 61 HE ARG 61 5.960 -12.351 -3.466 428 HH11 ARG 61 1HH1 ARG 61 8.940 -10.605 -3.904 429 HH12 ARG 61 2HH1 ARG 61 8.386 -9.752 -5.306 430 HH21 ARG 61 1HH2 ARG 61 5.219 -11.233 -5.311 431 HH22 ARG 61 2HH2 ARG 61 6.269 -10.109 -6.105 432 H LEU 62 H LEU 62 10.969 -12.868 1.058 433 HA LEU 62 HA LEU 62 11.473 -15.105 2.558 434 HB2 LEU 62 1HB LEU 62 12.622 -12.338 2.678 435 HB3 LEU 62 2HB LEU 62 13.205 -13.616 3.742 436 HG LEU 62 HG LEU 62 14.570 -13.195 1.669 437 HD11 LEU 62 1HD1 LEU 62 14.544 -15.318 3.033 438 HD12 LEU 62 2HD1 LEU 62 15.085 -15.481 1.363 439 HD13 LEU 62 3HD1 LEU 62 13.457 -15.985 1.815 440 HD21 LEU 62 3HD2 LEU 62 13.778 -14.048 -0.436 441 HD22 LEU 62 1HD2 LEU 62 12.632 -12.848 0.162 442 HD23 LEU 62 2HD2 LEU 62 12.260 -14.567 0.299 443 H GLN 63 H GLN 63 10.370 -11.947 3.764 444 HA GLN 63 HA GLN 63 10.041 -13.004 6.443 445 HB2 GLN 63 1HB GLN 63 9.393 -10.286 5.291 446 HB3 GLN 63 2HB GLN 63 9.277 -10.714 6.993 447 HG2 GLN 63 1HG GLN 63 11.808 -10.780 5.365 448 HG3 GLN 63 2HG GLN 63 11.326 -9.472 6.445 449 HE21 GLN 63 1HE2 GLN 63 13.648 -10.391 7.050 450 HE22 GLN 63 2HE2 GLN 63 13.629 -11.476 8.393 451 H SER 64 H SER 64 7.995 -11.862 3.791 452 HA SER 64 HA SER 64 5.517 -11.812 4.879 453 HB2 SER 64 1HB SER 64 6.229 -11.539 2.413 454 HB3 SER 64 2HB SER 64 5.960 -13.277 2.285 455 HG SER 64 HG SER 64 3.813 -12.721 3.265 456 H ASN 65 H ASN 65 4.015 -13.208 5.642 457 HA ASN 65 HA ASN 65 4.556 -16.085 5.460 458 HB2 ASN 65 1HB ASN 65 5.383 -15.121 7.656 459 HB3 ASN 65 2HB ASN 65 3.701 -14.763 8.037 460 HD21 ASN 65 1HD2 ASN 65 2.876 -16.193 9.362 461 HD22 ASN 65 2HD2 ASN 65 3.193 -17.891 9.364 462 H GLU 66 H GLU 66 2.603 -17.347 6.352 463 HA GLU 66 HA GLU 66 0.383 -16.858 4.791 464 HB2 GLU 66 1HB GLU 66 -0.646 -18.634 5.879 465 HB3 GLU 66 2HB GLU 66 1.059 -18.959 6.158 466 HG2 GLU 66 1HG GLU 66 0.780 -17.770 8.375 467 HG3 GLU 66 2HG GLU 66 -0.956 -17.847 8.082 468 H VAL 67 H VAL 67 1.289 -15.371 7.750 469 HA VAL 67 HA VAL 67 -1.243 -13.877 7.755 470 HB VAL 67 HB VAL 67 -1.249 -13.829 10.204 471 HG11 VAL 67 1HG1 VAL 67 -1.883 -16.024 8.559 472 HG12 VAL 67 2HG1 VAL 67 -1.197 -16.684 10.045 473 HG13 VAL 67 3HG1 VAL 67 -2.586 -15.599 10.119 474 HG21 VAL 67 3HG2 VAL 67 0.606 -16.050 10.569 475 HG22 VAL 67 1HG2 VAL 67 1.385 -14.570 10.009 476 HG23 VAL 67 2HG2 VAL 67 0.430 -14.557 11.491 477 H THR 68 H THR 68 1.388 -13.248 6.661 478 HA THR 68 HA THR 68 1.707 -10.653 7.898 479 HB THR 68 HB THR 68 4.060 -12.550 7.771 480 HG1 THR 68 1HG THR 68 2.331 -11.740 9.811 481 HG21 THR 68 3HG2 THR 68 4.615 -10.192 7.246 482 HG22 THR 68 1HG2 THR 68 5.348 -10.750 8.750 483 HG23 THR 68 2HG2 THR 68 3.922 -9.712 8.795 484 H LEU 69 H LEU 69 2.477 -9.126 6.496 485 HA LEU 69 HA LEU 69 3.501 -10.032 3.899 486 HB2 LEU 69 1HB LEU 69 1.113 -8.327 4.435 487 HB3 LEU 69 2HB LEU 69 2.080 -8.024 2.993 488 HG LEU 69 HG LEU 69 0.849 -10.700 3.628 489 HD11 LEU 69 1HD1 LEU 69 -0.969 -10.168 2.203 490 HD12 LEU 69 2HD1 LEU 69 -0.239 -8.633 1.733 491 HD13 LEU 69 3HD1 LEU 69 -0.840 -8.857 3.375 492 HD21 LEU 69 3HD2 LEU 69 2.805 -10.581 2.064 493 HD22 LEU 69 1HD2 LEU 69 1.815 -9.572 1.008 494 HD23 LEU 69 2HD2 LEU 69 1.325 -11.230 1.356 495 H THR 70 H THR 70 5.518 -9.252 3.966 496 HA THR 70 HA THR 70 5.982 -6.549 4.994 497 HB THR 70 HB THR 70 8.047 -8.598 4.175 498 HG1 THR 70 1HG THR 70 7.215 -7.970 6.821 499 HG21 THR 70 3HG2 THR 70 9.617 -7.238 5.342 500 HG22 THR 70 1HG2 THR 70 8.341 -6.210 5.993 501 HG23 THR 70 2HG2 THR 70 8.714 -6.168 4.269 502 H LEU 71 H LEU 71 6.014 -4.924 3.598 503 HA LEU 71 HA LEU 71 7.231 -5.335 0.962 504 HB2 LEU 71 1HB LEU 71 5.472 -4.401 -0.221 505 HB3 LEU 71 2HB LEU 71 4.667 -5.440 0.954 506 HG LEU 71 HG LEU 71 5.036 -2.546 1.585 507 HD11 LEU 71 1HD1 LEU 71 3.830 -3.331 -0.784 508 HD12 LEU 71 2HD1 LEU 71 3.626 -1.788 0.044 509 HD13 LEU 71 3HD1 LEU 71 2.487 -3.102 0.336 510 HD21 LEU 71 3HD2 LEU 71 4.123 -3.702 3.374 511 HD22 LEU 71 1HD2 LEU 71 3.164 -4.756 2.336 512 HD23 LEU 71 2HD2 LEU 71 2.695 -3.070 2.554 513 H THR 72 H THR 72 7.473 -3.113 -0.165 514 HA THR 72 HA THR 72 8.459 -1.201 1.848 515 HB THR 72 HB THR 72 9.416 -1.437 -1.008 516 HG1 THR 72 1HG THR 72 11.329 -2.322 0.339 517 HG21 THR 72 3HG2 THR 72 10.250 0.150 1.390 518 HG22 THR 72 1HG2 THR 72 10.019 0.681 -0.276 519 HG23 THR 72 2HG2 THR 72 11.435 -0.278 0.156 520 H VAL 73 H VAL 73 7.693 0.826 1.851 521 HA VAL 73 HA VAL 73 5.381 1.548 0.486 522 HB VAL 73 HB VAL 73 7.454 3.427 1.626 523 HG11 VAL 73 1HG1 VAL 73 4.695 4.255 1.831 524 HG12 VAL 73 2HG1 VAL 73 6.080 5.111 1.150 525 HG13 VAL 73 3HG1 VAL 73 5.160 3.985 0.152 526 HG21 VAL 73 3HG2 VAL 73 5.165 1.950 2.901 527 HG22 VAL 73 1HG2 VAL 73 6.866 1.945 3.366 528 HG23 VAL 73 2HG2 VAL 73 5.886 3.389 3.621 529 HA PRO 74 HA PRO 74 7.044 2.406 -3.553 530 HB2 PRO 74 1HB PRO 74 4.709 3.259 -4.644 531 HB3 PRO 74 2HB PRO 74 5.075 1.551 -4.372 532 HG2 PRO 74 1HG PRO 74 3.423 3.420 -2.718 533 HG3 PRO 74 2HG PRO 74 3.094 1.737 -3.169 534 HD2 PRO 74 1HD PRO 74 4.065 2.431 -0.739 535 HD3 PRO 74 2HD PRO 74 4.477 0.895 -1.528 536 H GLU 75 H GLU 75 7.053 4.283 -5.064 537 HA GLU 75 HA GLU 75 7.317 6.751 -3.535 538 HB2 GLU 75 1HB GLU 75 8.251 5.869 -6.254 539 HB3 GLU 75 2HB GLU 75 8.294 7.562 -5.783 540 HG2 GLU 75 1HG GLU 75 10.419 6.848 -5.269 541 HG3 GLU 75 2HG GLU 75 9.591 6.712 -3.719 542 H TYR 76 H TYR 76 6.207 8.625 -3.953 543 HA TYR 76 HA TYR 76 3.628 8.331 -5.168 544 HB2 TYR 76 1HB TYR 76 4.058 9.718 -3.134 545 HB3 TYR 76 2HB TYR 76 4.946 10.854 -4.144 546 HD1 TYR 76 1HD TYR 76 1.693 9.068 -4.606 547 HD2 TYR 76 2HD TYR 76 3.723 12.799 -4.362 548 HE1 TYR 76 1HE TYR 76 -0.407 10.238 -5.125 549 HE2 TYR 76 2HE TYR 76 1.628 13.980 -4.879 550 HH TYR 76 HH TYR 76 -1.236 12.880 -4.535 551 H SER 77 H SER 77 2.809 10.031 -6.712 552 HA SER 77 HA SER 77 4.545 10.067 -9.019 553 HB2 SER 77 1HB SER 77 2.638 10.687 -10.269 554 HB3 SER 77 2HB SER 77 2.018 9.601 -9.026 555 HG SER 77 HG SER 77 1.654 12.340 -9.348 556 H ASN 78 H ASN 78 2.910 12.490 -6.996 557 HA ASN 78 HA ASN 78 4.583 14.573 -8.211 558 HB2 ASN 78 1HB ASN 78 1.953 14.666 -7.917 559 HB3 ASN 78 2HB ASN 78 2.378 15.211 -6.298 560 HD21 ASN 78 1HD2 ASN 78 0.992 16.843 -7.973 561 HD22 ASN 78 2HD2 ASN 78 1.992 18.159 -8.476 562 H LYS 79 H LYS 79 6.116 13.096 -6.670 563 HA LYS 79 HA LYS 79 6.212 13.451 -3.942 564 HB2 LYS 79 1HB LYS 79 8.289 13.025 -6.041 565 HB3 LYS 79 2HB LYS 79 8.822 13.436 -4.416 566 HG2 LYS 79 1HG LYS 79 8.096 11.460 -3.526 567 HG3 LYS 79 2HG LYS 79 6.843 11.242 -4.749 568 HD2 LYS 79 1HD LYS 79 8.359 9.651 -5.412 569 HD3 LYS 79 2HD LYS 79 8.908 11.033 -6.363 570 HE2 LYS 79 1HE LYS 79 10.494 11.534 -4.447 571 HE3 LYS 79 2HE LYS 79 10.078 9.941 -3.816 572 HZ1 LYS 79 3HZ LYS 79 11.538 10.629 -6.280 573 HZ2 LYS 79 1HZ LYS 79 10.727 9.149 -6.162 574 HZ3 LYS 79 2HZ LYS 79 11.956 9.530 -5.063 575 H ARG 80 H ARG 80 6.680 15.792 -6.401 576 HA ARG 80 HA ARG 80 8.175 17.631 -4.746 577 HB2 ARG 80 1HB ARG 80 6.822 18.140 -7.400 578 HB3 ARG 80 2HB ARG 80 8.040 19.148 -6.631 579 HG2 ARG 80 1HG ARG 80 8.583 16.303 -7.414 580 HG3 ARG 80 2HG ARG 80 8.806 17.652 -8.529 581 HD2 ARG 80 1HD ARG 80 10.126 17.393 -5.830 582 HD3 ARG 80 2HD ARG 80 10.889 17.002 -7.370 583 HE ARG 80 HE ARG 80 9.855 19.685 -7.212 584 HH11 ARG 80 1HH1 ARG 80 12.583 17.609 -6.607 585 HH12 ARG 80 2HH1 ARG 80 13.741 18.897 -6.663 586 HH21 ARG 80 1HH2 ARG 80 11.369 21.389 -7.287 587 HH22 ARG 80 2HH2 ARG 80 13.049 21.047 -7.049 588 H VAL 81 H VAL 81 6.043 17.033 -3.287 589 HA VAL 81 HA VAL 81 4.292 19.391 -3.551 590 HB VAL 81 HB VAL 81 2.531 18.052 -2.381 591 HG11 VAL 81 1HG1 VAL 81 3.521 17.545 -5.123 592 HG12 VAL 81 2HG1 VAL 81 2.273 16.458 -4.509 593 HG13 VAL 81 3HG1 VAL 81 1.976 18.196 -4.575 594 HG21 VAL 81 3HG2 VAL 81 4.357 15.734 -3.011 595 HG22 VAL 81 1HG2 VAL 81 4.004 16.359 -1.400 596 HG23 VAL 81 2HG2 VAL 81 2.722 15.621 -2.361 597 H SER 82 H SER 82 4.119 20.684 -1.817 598 HA SER 82 HA SER 82 5.797 20.133 0.472 599 HB2 SER 82 1HB SER 82 5.625 22.398 -0.630 600 HB3 SER 82 2HB SER 82 3.996 22.523 0.035 601 HG SER 82 HG SER 82 6.336 22.093 1.582 602 H ARG 83 H ARG 83 2.564 19.626 -0.372 603 HA ARG 83 HA ARG 83 1.764 19.442 2.456 604 HB2 ARG 83 1HB ARG 83 0.084 19.800 -0.030 605 HB3 ARG 83 2HB ARG 83 -0.581 19.501 1.570 606 HG2 ARG 83 1HG ARG 83 0.899 21.604 2.184 607 HG3 ARG 83 2HG ARG 83 0.688 21.942 0.465 608 HD2 ARG 83 1HD ARG 83 -1.702 21.906 0.694 609 HD3 ARG 83 2HD ARG 83 -1.577 21.360 2.365 610 HE ARG 83 HE ARG 83 -1.144 23.521 3.015 611 HH11 ARG 83 1HH1 ARG 83 -0.921 23.271 -0.451 612 HH12 ARG 83 2HH1 ARG 83 -0.828 24.984 -0.699 613 HH21 ARG 83 1HH2 ARG 83 -1.021 25.777 2.701 614 HH22 ARG 83 2HH2 ARG 83 -0.884 26.408 1.095 615 HA PRO 84 HA PRO 84 1.480 15.070 2.128 616 HB2 PRO 84 1HB PRO 84 -0.483 14.574 3.937 617 HB3 PRO 84 2HB PRO 84 1.153 15.056 4.402 618 HG2 PRO 84 1HG PRO 84 -1.324 16.723 4.189 619 HG3 PRO 84 2HG PRO 84 -0.075 16.730 5.448 620 HD2 PRO 84 1HD PRO 84 -0.161 18.577 3.470 621 HD3 PRO 84 2HD PRO 84 1.363 18.020 4.190 622 H VAL 85 H VAL 85 -0.093 13.286 1.729 623 HA VAL 85 HA VAL 85 -2.535 14.162 0.357 624 HB VAL 85 HB VAL 85 -0.454 12.315 -0.815 625 HG11 VAL 85 1HG1 VAL 85 -1.939 11.871 -2.619 626 HG12 VAL 85 2HG1 VAL 85 -2.826 11.545 -1.128 627 HG13 VAL 85 3HG1 VAL 85 -3.116 13.038 -2.020 628 HG21 VAL 85 3HG2 VAL 85 -0.827 15.096 -1.013 629 HG22 VAL 85 1HG2 VAL 85 0.263 14.080 -1.956 630 HG23 VAL 85 2HG2 VAL 85 -1.366 14.409 -2.545 631 H GLN 86 H GLN 86 -4.250 12.786 0.528 632 HA GLN 86 HA GLN 86 -3.900 10.527 2.352 633 HB2 GLN 86 1HB GLN 86 -5.602 12.083 3.023 634 HB3 GLN 86 2HB GLN 86 -6.352 12.030 1.434 635 HG2 GLN 86 1HG GLN 86 -7.677 10.749 2.948 636 HG3 GLN 86 2HG GLN 86 -6.892 9.646 1.818 637 HE21 GLN 86 1HE2 GLN 86 -6.907 7.858 3.088 638 HE22 GLN 86 2HE2 GLN 86 -6.017 7.716 4.562 639 H VAL 87 H VAL 87 -3.346 8.729 1.271 640 HA VAL 87 HA VAL 87 -4.970 7.990 -1.077 641 HB VAL 87 HB VAL 87 -3.085 6.672 -1.890 642 HG11 VAL 87 1HG1 VAL 87 -2.729 8.580 -2.992 643 HG12 VAL 87 2HG1 VAL 87 -3.033 9.563 -1.558 644 HG13 VAL 87 3HG1 VAL 87 -1.432 8.874 -1.834 645 HG21 VAL 87 3HG2 VAL 87 -1.041 7.796 -0.169 646 HG22 VAL 87 1HG2 VAL 87 -2.188 6.802 0.729 647 HG23 VAL 87 2HG2 VAL 87 -1.318 6.121 -0.646 648 H TYR 88 H TYR 88 -4.792 5.487 -1.430 649 HA TYR 88 HA TYR 88 -4.934 4.055 1.120 650 HB2 TYR 88 1HB TYR 88 -7.110 3.835 -0.965 651 HB3 TYR 88 2HB TYR 88 -7.075 3.080 0.624 652 HD1 TYR 88 2HD TYR 88 -7.433 6.294 -1.158 653 HD2 TYR 88 1HD TYR 88 -7.779 4.266 2.566 654 HE1 TYR 88 2HE TYR 88 -8.622 8.232 -0.220 655 HE2 TYR 88 1HE TYR 88 -8.970 6.198 3.514 656 HH TYR 88 HH TYR 88 -10.430 8.436 1.887 657 H PHE 89 H PHE 89 -4.692 1.781 0.942 658 HA PHE 89 HA PHE 89 -3.904 0.761 -1.689 659 HB2 PHE 89 1HB PHE 89 -1.925 -0.357 -0.632 660 HB3 PHE 89 2HB PHE 89 -1.807 1.398 -0.702 661 HD1 PHE 89 2HD PHE 89 -2.339 -1.493 1.499 662 HD2 PHE 89 1HD PHE 89 -1.759 2.718 1.285 663 HE1 PHE 89 2HE PHE 89 -1.925 -1.430 3.923 664 HE2 PHE 89 1HE PHE 89 -1.343 2.788 3.709 665 HZ PHE 89 HZ PHE 89 -1.426 0.712 5.032 666 H TYR 90 H TYR 90 -4.032 -1.515 -1.909 667 HA TYR 90 HA TYR 90 -5.250 -2.991 0.303 668 HB2 TYR 90 1HB TYR 90 -6.935 -3.948 -1.322 669 HB3 TYR 90 2HB TYR 90 -7.189 -2.265 -0.876 670 HD1 TYR 90 1HD TYR 90 -6.000 -4.505 -3.561 671 HD2 TYR 90 2HD TYR 90 -7.101 -0.532 -2.507 672 HE1 TYR 90 1HE TYR 90 -6.015 -3.884 -5.941 673 HE2 TYR 90 2HE TYR 90 -7.120 0.099 -4.884 674 HH TYR 90 HH TYR 90 -6.658 -0.551 -6.966 675 H VAL 91 H VAL 91 -5.586 -5.381 -0.474 676 HA VAL 91 HA VAL 91 -3.093 -6.185 -1.821 677 HB VAL 91 HB VAL 91 -4.754 -7.772 0.142 678 HG11 VAL 91 1HG1 VAL 91 -1.985 -8.415 -0.829 679 HG12 VAL 91 2HG1 VAL 91 -3.119 -9.455 0.036 680 HG13 VAL 91 3HG1 VAL 91 -3.429 -9.016 -1.644 681 HG21 VAL 91 3HG2 VAL 91 -3.683 -5.949 1.285 682 HG22 VAL 91 1HG2 VAL 91 -2.810 -7.435 1.656 683 HG23 VAL 91 2HG2 VAL 91 -2.149 -6.293 0.487 684 H SER 92 H SER 92 -3.483 -6.687 -3.880 685 HA SER 92 HA SER 92 -6.031 -7.818 -4.683 686 HB2 SER 92 1HB SER 92 -3.660 -6.685 -6.100 687 HB3 SER 92 2HB SER 92 -4.703 -7.800 -6.982 688 HG SER 92 HG SER 92 -5.816 -6.035 -7.315 689 H ASN 93 H ASN 93 -6.357 -9.928 -4.494 690 HA ASN 93 HA ASN 93 -4.190 -11.757 -5.267 691 HB2 ASN 93 1HB ASN 93 -6.029 -12.088 -2.887 692 HB3 ASN 93 2HB ASN 93 -4.879 -13.295 -3.454 693 HD21 ASN 93 1HD2 ASN 93 -4.929 -12.153 -0.872 694 HD22 ASN 93 2HD2 ASN 93 -3.455 -11.281 -0.650 695 H GLY 94 H GLY 94 -4.968 -12.446 -7.188 696 HA2 GLY 94 1HA GLY 94 -6.233 -14.125 -8.305 697 HA3 GLY 94 2HA GLY 94 -7.513 -13.907 -7.121 698 H ARG 95 H ARG 95 -9.278 -13.149 -8.064 699 HA ARG 95 HA ARG 95 -8.987 -10.951 -10.001 700 HB2 ARG 95 1HB ARG 95 -10.935 -13.258 -10.173 701 HB3 ARG 95 2HB ARG 95 -10.901 -11.873 -11.257 702 HG2 ARG 95 1HG ARG 95 -8.657 -12.513 -11.997 703 HG3 ARG 95 2HG ARG 95 -8.711 -13.912 -10.923 704 HD2 ARG 95 1HD ARG 95 -9.337 -14.818 -12.959 705 HD3 ARG 95 2HD ARG 95 -10.890 -14.496 -12.190 706 HE ARG 95 HE ARG 95 -10.471 -12.245 -13.595 707 HH11 ARG 95 1HH1 ARG 95 -10.284 -15.613 -14.458 708 HH12 ARG 95 2HH1 ARG 95 -10.734 -15.349 -16.110 709 HH21 ARG 95 1HH2 ARG 95 -11.064 -11.885 -15.768 710 HH22 ARG 95 2HH2 ARG 95 -11.177 -13.228 -16.854 711 H ARG 96 H ARG 96 -11.440 -12.672 -8.060 712 HA ARG 96 HA ARG 96 -12.790 -10.113 -7.592 713 HB2 ARG 96 1HB ARG 96 -14.724 -11.356 -6.999 714 HB3 ARG 96 2HB ARG 96 -14.062 -12.131 -8.432 715 HG2 ARG 96 1HG ARG 96 -13.170 -13.189 -5.822 716 HG3 ARG 96 2HG ARG 96 -14.851 -13.482 -6.273 717 HD2 ARG 96 1HD ARG 96 -12.359 -14.291 -7.751 718 HD3 ARG 96 2HD ARG 96 -13.605 -15.334 -7.066 719 HE ARG 96 HE ARG 96 -13.670 -13.993 -9.610 720 HH11 ARG 96 1HH1 ARG 96 -15.570 -15.427 -7.070 721 HH12 ARG 96 2HH1 ARG 96 -16.931 -15.751 -8.093 722 HH21 ARG 96 1HH2 ARG 96 -15.454 -14.413 -10.966 723 HH22 ARG 96 2HH2 ARG 96 -16.864 -15.174 -10.309 724 H LYS 97 H LYS 97 -10.860 -12.498 -6.035 725 HA LYS 97 HA LYS 97 -11.636 -11.856 -3.349 726 HB2 LYS 97 1HB LYS 97 -9.279 -13.375 -4.472 727 HB3 LYS 97 2HB LYS 97 -9.584 -13.185 -2.751 728 HG2 LYS 97 1HG LYS 97 -11.587 -14.443 -2.875 729 HG3 LYS 97 2HG LYS 97 -11.571 -14.417 -4.640 730 HD2 LYS 97 1HD LYS 97 -9.612 -15.818 -4.690 731 HD3 LYS 97 2HD LYS 97 -9.464 -15.740 -2.932 732 HE2 LYS 97 1HE LYS 97 -11.930 -16.820 -4.260 733 HE3 LYS 97 2HE LYS 97 -10.521 -17.838 -3.965 734 HZ1 LYS 97 3HZ LYS 97 -10.902 -16.646 -1.575 735 HZ2 LYS 97 1HZ LYS 97 -11.465 -18.188 -1.988 736 HZ3 LYS 97 2HZ LYS 97 -12.493 -16.851 -2.114 737 H ARG 98 H ARG 98 -11.147 -10.006 -2.385 738 HA ARG 98 HA ARG 98 -8.443 -8.952 -2.579 739 HB2 ARG 98 1HB ARG 98 -10.870 -7.576 -3.633 740 HB3 ARG 98 2HB ARG 98 -9.646 -6.601 -2.832 741 HG2 ARG 98 1HG ARG 98 -7.995 -7.206 -4.415 742 HG3 ARG 98 2HG ARG 98 -9.015 -8.477 -5.092 743 HD2 ARG 98 1HD ARG 98 -10.655 -6.484 -5.550 744 HD3 ARG 98 2HD ARG 98 -9.186 -5.517 -5.428 745 HE ARG 98 HE ARG 98 -8.484 -7.458 -7.165 746 HH11 ARG 98 1HH1 ARG 98 -11.192 -5.275 -7.012 747 HH12 ARG 98 2HH1 ARG 98 -11.397 -5.202 -8.731 748 HH21 ARG 98 1HH2 ARG 98 -8.744 -7.370 -9.429 749 HH22 ARG 98 2HH2 ARG 98 -10.005 -6.395 -10.104 750 H SER 99 H SER 99 -8.341 -6.870 -1.123 751 HA SER 99 HA SER 99 -9.856 -7.455 1.337 752 HB2 SER 99 1HB SER 99 -7.764 -6.312 2.426 753 HB3 SER 99 2HB SER 99 -7.676 -8.003 1.933 754 HG SER 99 HG SER 99 -6.002 -6.246 1.236 755 HA PRO 100 HA PRO 100 -11.328 -3.324 1.436 756 HB2 PRO 100 1HB PRO 100 -11.292 -2.774 4.095 757 HB3 PRO 100 2HB PRO 100 -12.456 -3.882 3.358 758 HG2 PRO 100 1HG PRO 100 -9.920 -4.499 4.824 759 HG3 PRO 100 2HG PRO 100 -11.502 -5.291 4.943 760 HD2 PRO 100 1HD PRO 100 -9.458 -6.329 3.502 761 HD3 PRO 100 2HD PRO 100 -11.158 -6.544 3.039 762 H THR 101 H THR 101 -10.383 -1.458 0.927 763 HA THR 101 HA THR 101 -7.678 -0.921 1.148 764 HB THR 101 HB THR 101 -8.276 1.474 0.727 765 HG1 THR 101 1HG THR 101 -10.618 1.749 0.276 766 HG21 THR 101 3HG2 THR 101 -8.420 -0.665 -0.959 767 HG22 THR 101 1HG2 THR 101 -8.554 1.020 -1.461 768 HG23 THR 101 2HG2 THR 101 -10.010 0.066 -1.177 769 H GLN 102 H GLN 102 -6.496 0.593 2.434 770 HA GLN 102 HA GLN 102 -7.658 1.023 5.108 771 HB2 GLN 102 1HB GLN 102 -4.841 0.266 4.338 772 HB3 GLN 102 2HB GLN 102 -5.272 0.858 5.937 773 HG2 GLN 102 1HG GLN 102 -6.152 -1.682 4.604 774 HG3 GLN 102 2HG GLN 102 -5.201 -1.494 6.076 775 HE21 GLN 102 1HE2 GLN 102 -8.297 -1.822 4.754 776 HE22 GLN 102 2HE2 GLN 102 -9.208 -1.599 6.205 777 H SER 103 H SER 103 -7.689 3.052 5.832 778 HA SER 103 HA SER 103 -7.031 5.230 4.207 779 HB2 SER 103 1HB SER 103 -7.205 5.425 7.208 780 HB3 SER 103 2HB SER 103 -7.701 6.609 5.999 781 HG SER 103 HG SER 103 -9.208 4.758 5.359 782 H PHE 104 H PHE 104 -5.122 6.038 3.685 783 HA PHE 104 HA PHE 104 -2.957 5.971 5.670 784 HB2 PHE 104 1HB PHE 104 -2.795 4.184 3.807 785 HB3 PHE 104 2HB PHE 104 -2.408 5.534 2.745 786 HD1 PHE 104 2HD PHE 104 -1.341 3.845 5.872 787 HD2 PHE 104 1HD PHE 104 -0.234 6.346 2.611 788 HE1 PHE 104 2HE PHE 104 1.013 3.717 6.577 789 HE2 PHE 104 1HE PHE 104 2.122 6.222 3.311 790 HZ PHE 104 HZ PHE 104 2.748 4.907 5.297 791 H ARG 105 H ARG 105 -1.132 7.473 5.021 792 HA ARG 105 HA ARG 105 -1.863 9.687 3.310 793 HB2 ARG 105 1HB ARG 105 -2.994 10.243 5.433 794 HB3 ARG 105 2HB ARG 105 -1.454 10.125 6.274 795 HG2 ARG 105 1HG ARG 105 -0.619 11.956 4.757 796 HG3 ARG 105 2HG ARG 105 -2.290 12.159 4.228 797 HD2 ARG 105 1HD ARG 105 -1.429 12.286 7.111 798 HD3 ARG 105 2HD ARG 105 -1.539 13.703 6.068 799 HE ARG 105 HE ARG 105 -3.953 12.160 6.125 800 HH11 ARG 105 1HH1 ARG 105 -2.116 14.623 7.761 801 HH12 ARG 105 2HH1 ARG 105 -3.502 15.337 8.518 802 HH21 ARG 105 1HH2 ARG 105 -5.785 13.091 7.116 803 HH22 ARG 105 2HH2 ARG 105 -5.588 14.464 8.151 804 H PHE 106 H PHE 106 -0.098 10.494 2.367 805 HA PHE 106 HA PHE 106 2.511 9.624 3.356 806 HB2 PHE 106 1HB PHE 106 1.616 10.779 0.713 807 HB3 PHE 106 2HB PHE 106 3.305 10.481 1.111 808 HD1 PHE 106 1HD PHE 106 3.516 7.968 2.274 809 HD2 PHE 106 2HD PHE 106 0.744 9.215 -0.704 810 HE1 PHE 106 1HE PHE 106 3.285 5.638 1.519 811 HE2 PHE 106 2HE PHE 106 0.507 6.887 -1.464 812 HZ PHE 106 HZ PHE 106 1.778 5.095 -0.352 813 H LEU 107 H LEU 107 3.790 10.953 4.447 814 HA LEU 107 HA LEU 107 3.127 13.788 4.577 815 HB2 LEU 107 1HB LEU 107 5.256 12.319 6.114 816 HB3 LEU 107 2HB LEU 107 4.547 13.889 6.488 817 HG LEU 107 HG LEU 107 2.903 11.376 6.511 818 HD11 LEU 107 1HD1 LEU 107 4.895 12.316 8.486 819 HD12 LEU 107 2HD1 LEU 107 4.333 10.684 8.126 820 HD13 LEU 107 3HD1 LEU 107 3.342 11.760 9.111 821 HD21 LEU 107 3HD2 LEU 107 2.320 14.092 6.809 822 HD22 LEU 107 1HD2 LEU 107 2.269 13.419 8.438 823 HD23 LEU 107 2HD2 LEU 107 1.263 12.725 7.166 824 HA PRO 108 HA PRO 108 6.331 15.010 1.810 825 HB2 PRO 108 1HB PRO 108 6.592 17.592 2.606 826 HB3 PRO 108 2HB PRO 108 5.219 17.014 1.655 827 HG2 PRO 108 1HG PRO 108 5.411 17.498 4.603 828 HG3 PRO 108 2HG PRO 108 4.097 17.908 3.485 829 HD2 PRO 108 1HD PRO 108 4.009 15.740 5.106 830 HD3 PRO 108 2HD PRO 108 3.245 15.766 3.504 831 H VAL 109 H VAL 109 8.544 15.410 1.759 832 HA VAL 109 HA VAL 109 9.900 15.487 4.375 833 HB VAL 109 HB VAL 109 11.721 14.131 3.358 834 HG11 VAL 109 1HG1 VAL 109 10.057 12.028 3.083 835 HG12 VAL 109 2HG1 VAL 109 10.526 12.711 4.641 836 HG13 VAL 109 3HG1 VAL 109 8.991 13.168 3.903 837 HG21 VAL 109 3HG2 VAL 109 10.068 14.493 0.998 838 HG22 VAL 109 1HG2 VAL 109 11.756 13.998 1.132 839 HG23 VAL 109 2HG2 VAL 109 10.471 12.800 1.284 840 H ILE 110 H ILE 110 9.782 16.579 1.076 841 HA ILE 110 HA ILE 110 12.140 17.690 0.487 842 HB ILE 110 HB ILE 110 9.508 19.162 0.309 843 HG12 ILE 110 1HG1 ILE 110 10.832 17.744 -1.970 844 HG13 ILE 110 2HG1 ILE 110 9.916 16.805 -0.796 845 HG21 ILE 110 1HG2 ILE 110 11.944 20.273 -0.048 846 HG22 ILE 110 2HG2 ILE 110 11.624 19.667 -1.671 847 HG23 ILE 110 3HG2 ILE 110 10.491 20.782 -0.908 848 HD11 ILE 110 3HD1 ILE 110 7.922 18.038 -1.285 849 HD12 ILE 110 1HD1 ILE 110 8.812 19.143 -2.332 850 HD13 ILE 110 2HD1 ILE 110 8.618 17.452 -2.796 851 H CYS 111 H CYS 111 13.576 18.978 1.426 852 HA CYS 111 HA CYS 111 12.932 20.299 3.909 853 HB2 CYS 111 1HB CYS 111 15.487 20.080 2.311 854 HB3 CYS 111 2HB CYS 111 15.368 20.963 3.828 855 HG CYS 111 HG CYS 111 15.440 18.927 5.443 856 H LYS 112 H LYS 112 11.418 21.400 1.905 857 HA LYS 112 HA LYS 112 12.723 23.918 1.177 858 HB2 LYS 112 1HB LYS 112 10.282 22.472 0.219 859 HB3 LYS 112 2HB LYS 112 10.418 24.206 -0.042 860 HG2 LYS 112 1HG LYS 112 12.695 22.469 -0.840 861 HG3 LYS 112 2HG LYS 112 11.242 22.480 -1.841 862 HD2 LYS 112 1HD LYS 112 11.525 25.097 -1.595 863 HD3 LYS 112 2HD LYS 112 13.209 24.650 -1.311 864 HE2 LYS 112 1HE LYS 112 12.927 25.088 -3.649 865 HE3 LYS 112 2HE LYS 112 13.155 23.353 -3.434 866 HZ1 LYS 112 3HZ LYS 112 11.236 24.338 -4.930 867 HZ2 LYS 112 1HZ LYS 112 10.412 24.351 -3.452 868 HZ3 LYS 112 2HZ LYS 112 11.039 22.902 -4.058 869 H GLU 113 H GLU 113 12.525 25.569 2.528 870 HA GLU 113 HA GLU 113 11.761 26.892 4.229 871 HB2 GLU 113 1HB GLU 113 10.184 27.245 2.143 872 HB3 GLU 113 2HB GLU 113 8.981 26.514 3.198 873 HG2 GLU 113 1HG GLU 113 10.503 29.065 3.605 874 HG3 GLU 113 2HG GLU 113 8.761 28.839 3.460 875 H GLU 114 H GLU 114 12.016 24.239 5.031 876 HA GLU 114 HA GLU 114 9.861 22.988 6.191 877 HB2 GLU 114 1HB GLU 114 12.024 21.939 6.185 878 HB3 GLU 114 2HB GLU 114 12.701 23.214 7.188 879 HG2 GLU 114 1HG GLU 114 12.394 21.617 8.767 880 HG3 GLU 114 2HG GLU 114 10.827 22.420 8.862 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -25.842 -24.427 2.253 2 HA2 GLY 1 1HA GLY 1 -24.363 -26.158 3.845 3 HA3 GLY 1 2HA GLY 1 -24.581 -26.968 2.301 4 H SER 2 H SER 2 -22.712 -24.783 4.043 5 HA SER 2 HA SER 2 -21.772 -22.910 2.314 6 HB2 SER 2 1HB SER 2 -20.990 -23.272 4.670 7 HB3 SER 2 2HB SER 2 -19.972 -24.585 4.078 8 HG SER 2 HG SER 2 -18.615 -23.176 3.289 9 H SER 3 H SER 3 -20.970 -22.954 0.331 10 HA SER 3 HA SER 3 -19.752 -25.448 -0.643 11 HB2 SER 3 1HB SER 3 -21.817 -24.421 -1.791 12 HB3 SER 3 2HB SER 3 -20.708 -23.188 -2.393 13 HG SER 3 HG SER 3 -20.712 -25.965 -2.910 14 H GLY 4 H GLY 4 -17.672 -25.042 0.188 15 HA2 GLY 4 1HA GLY 4 -15.488 -24.500 -0.634 16 HA3 GLY 4 2HA GLY 4 -16.169 -23.069 -1.394 17 H SER 5 H SER 5 -13.885 -23.411 0.475 18 HA SER 5 HA SER 5 -14.795 -22.031 2.873 19 HB2 SER 5 1HB SER 5 -12.241 -23.351 2.033 20 HB3 SER 5 2HB SER 5 -12.207 -22.162 3.335 21 HG SER 5 HG SER 5 -12.565 -24.125 4.279 22 H SER 6 H SER 6 -15.054 -19.905 2.757 23 HA SER 6 HA SER 6 -14.133 -18.204 0.786 24 HB2 SER 6 1HB SER 6 -15.842 -17.853 2.773 25 HB3 SER 6 2HB SER 6 -14.437 -17.139 3.564 26 HG SER 6 HG SER 6 -16.031 -15.994 1.829 27 H GLY 7 H GLY 7 -12.011 -18.258 0.235 28 HA2 GLY 7 1HA GLY 7 -9.994 -17.958 2.340 29 HA3 GLY 7 2HA GLY 7 -9.685 -18.406 0.669 30 H LEU 8 H LEU 8 -11.228 -15.657 2.343 31 HA LEU 8 HA LEU 8 -9.913 -13.846 0.463 32 HB2 LEU 8 1HB LEU 8 -12.085 -13.400 2.502 33 HB3 LEU 8 2HB LEU 8 -11.397 -12.128 1.495 34 HG LEU 8 HG LEU 8 -12.630 -14.532 0.213 35 HD11 LEU 8 1HD1 LEU 8 -14.619 -12.633 0.206 36 HD12 LEU 8 2HD1 LEU 8 -14.012 -12.574 1.860 37 HD13 LEU 8 3HD1 LEU 8 -14.587 -14.099 1.186 38 HD21 LEU 8 3HD2 LEU 8 -13.262 -12.167 -1.120 39 HD22 LEU 8 1HD2 LEU 8 -12.044 -13.357 -1.579 40 HD23 LEU 8 2HD2 LEU 8 -11.590 -11.967 -0.593 41 HA PRO 9 HA PRO 9 -6.838 -12.606 3.357 42 HB2 PRO 9 1HB PRO 9 -6.262 -10.152 2.349 43 HB3 PRO 9 2HB PRO 9 -5.753 -11.654 1.569 44 HG2 PRO 9 1HG PRO 9 -8.081 -9.883 0.933 45 HG3 PRO 9 2HG PRO 9 -6.943 -10.675 -0.172 46 HD2 PRO 9 1HD PRO 9 -9.419 -11.656 0.319 47 HD3 PRO 9 2HD PRO 9 -8.031 -12.703 -0.039 48 H GLN 10 H GLN 10 -6.402 -11.057 5.028 49 HA GLN 10 HA GLN 10 -8.602 -9.228 5.671 50 HB2 GLN 10 1HB GLN 10 -9.042 -11.258 6.937 51 HB3 GLN 10 2HB GLN 10 -7.400 -11.251 7.568 52 HG2 GLN 10 1HG GLN 10 -8.531 -10.359 9.333 53 HG3 GLN 10 2HG GLN 10 -8.082 -8.891 8.467 54 HE21 GLN 10 1HE2 GLN 10 -10.137 -8.841 10.242 55 HE22 GLN 10 2HE2 GLN 10 -11.639 -8.657 9.409 56 H VAL 11 H VAL 11 -8.031 -7.433 6.920 57 HA VAL 11 HA VAL 11 -5.153 -7.080 7.428 58 HB VAL 11 HB VAL 11 -6.994 -5.018 6.207 59 HG11 VAL 11 1HG1 VAL 11 -5.377 -4.041 7.772 60 HG12 VAL 11 2HG1 VAL 11 -4.062 -4.823 6.893 61 HG13 VAL 11 3HG1 VAL 11 -5.035 -3.581 6.104 62 HG21 VAL 11 3HG2 VAL 11 -6.152 -6.895 4.725 63 HG22 VAL 11 1HG2 VAL 11 -5.768 -5.255 4.202 64 HG23 VAL 11 2HG2 VAL 11 -4.533 -6.244 4.983 65 H GLU 12 H GLU 12 -5.128 -7.140 9.607 66 HA GLU 12 HA GLU 12 -7.197 -5.981 11.214 67 HB2 GLU 12 1HB GLU 12 -5.556 -7.968 11.730 68 HB3 GLU 12 2HB GLU 12 -4.501 -6.685 12.307 69 HG2 GLU 12 1HG GLU 12 -7.315 -6.787 13.272 70 HG3 GLU 12 2HG GLU 12 -6.134 -7.917 13.932 71 H ALA 13 H ALA 13 -3.702 -5.271 11.065 72 HA ALA 13 HA ALA 13 -4.301 -2.414 11.166 73 HB1 ALA 13 3HB ALA 13 -3.100 -1.946 13.094 74 HB2 ALA 13 1HB ALA 13 -3.959 -3.427 13.518 75 HB3 ALA 13 2HB ALA 13 -2.255 -3.494 13.065 76 H TYR 14 H TYR 14 -2.457 -1.067 10.635 77 HA TYR 14 HA TYR 14 -0.257 -2.487 9.305 78 HB2 TYR 14 1HB TYR 14 -0.409 -0.807 7.438 79 HB3 TYR 14 2HB TYR 14 -1.747 -1.948 7.510 80 HD1 TYR 14 1HD TYR 14 -0.745 1.537 8.226 81 HD2 TYR 14 2HD TYR 14 -3.978 -1.204 7.855 82 HE1 TYR 14 1HE TYR 14 -2.334 3.414 8.270 83 HE2 TYR 14 2HE TYR 14 -5.576 0.666 7.897 84 HH TYR 14 HH TYR 14 -4.492 4.010 7.859 85 H SER 15 H SER 15 1.711 -1.419 9.277 86 HA SER 15 HA SER 15 1.919 1.268 10.343 87 HB2 SER 15 1HB SER 15 3.571 0.518 12.104 88 HB3 SER 15 2HB SER 15 1.893 0.078 12.421 89 HG SER 15 HG SER 15 2.724 -1.942 11.134 90 HA PRO 16 HA PRO 16 3.693 2.464 11.220 91 HB2 PRO 16 1HB PRO 16 4.606 4.672 9.931 92 HB3 PRO 16 2HB PRO 16 5.662 3.587 10.844 93 HG2 PRO 16 1HG PRO 16 5.177 3.717 7.893 94 HG3 PRO 16 2HG PRO 16 6.706 3.516 8.768 95 HD2 PRO 16 1HD PRO 16 5.392 1.437 7.635 96 HD3 PRO 16 2HD PRO 16 6.357 1.264 9.114 97 H SER 17 H SER 17 1.920 3.757 11.435 98 HA SER 17 HA SER 17 -0.254 3.563 9.831 99 HB2 SER 17 1HB SER 17 -1.119 5.610 10.885 100 HB3 SER 17 2HB SER 17 -0.309 4.583 12.068 101 HG SER 17 HG SER 17 0.212 7.110 11.470 102 H ALA 18 H ALA 18 2.425 5.795 9.448 103 HA ALA 18 HA ALA 18 1.550 6.352 6.730 104 HB1 ALA 18 3HB ALA 18 0.611 8.295 7.337 105 HB2 ALA 18 1HB ALA 18 1.419 8.308 8.905 106 HB3 ALA 18 2HB ALA 18 2.272 8.874 7.468 107 H CYS 19 H CYS 19 3.242 7.632 5.530 108 HA CYS 19 HA CYS 19 5.923 7.477 6.640 109 HB2 CYS 19 1HB CYS 19 5.174 5.261 5.406 110 HB3 CYS 19 2HB CYS 19 5.551 6.198 3.965 111 HG CYS 19 HG CYS 19 8.030 6.522 6.079 112 H SER 20 H SER 20 7.527 8.150 4.751 113 HA SER 20 HA SER 20 6.624 10.754 3.912 114 HB2 SER 20 1HB SER 20 9.260 9.304 3.649 115 HB3 SER 20 2HB SER 20 8.984 10.913 2.983 116 HG SER 20 HG SER 20 8.269 11.410 5.244 117 H VAL 21 H VAL 21 6.493 11.526 1.795 118 HA VAL 21 HA VAL 21 5.245 9.976 -0.090 119 HB VAL 21 HB VAL 21 6.128 11.695 -1.787 120 HG11 VAL 21 1HG1 VAL 21 3.969 11.714 -0.335 121 HG12 VAL 21 2HG1 VAL 21 4.784 13.015 0.534 122 HG13 VAL 21 3HG1 VAL 21 4.457 13.175 -1.193 123 HG21 VAL 21 3HG2 VAL 21 7.025 13.147 0.688 124 HG22 VAL 21 1HG2 VAL 21 8.136 12.215 -0.315 125 HG23 VAL 21 2HG2 VAL 21 7.276 13.594 -0.999 126 H ARG 22 H ARG 22 8.683 10.371 0.449 127 HA ARG 22 HA ARG 22 9.645 9.304 -1.955 128 HB2 ARG 22 1HB ARG 22 10.785 9.395 0.830 129 HB3 ARG 22 2HB ARG 22 11.666 8.669 -0.508 130 HG2 ARG 22 1HG ARG 22 11.395 10.869 -1.717 131 HG3 ARG 22 2HG ARG 22 10.825 11.533 -0.185 132 HD2 ARG 22 1HD ARG 22 13.185 11.983 -0.442 133 HD3 ARG 22 2HD ARG 22 12.938 10.835 0.873 134 HE ARG 22 HE ARG 22 13.408 9.220 -1.224 135 HH11 ARG 22 1HH1 ARG 22 15.081 12.012 0.011 136 HH12 ARG 22 2HH1 ARG 22 16.639 11.478 -0.524 137 HH21 ARG 22 1HH2 ARG 22 15.455 8.505 -1.934 138 HH22 ARG 22 2HH2 ARG 22 16.851 9.483 -1.632 139 H GLY 23 H GLY 23 8.651 7.736 1.053 140 HA2 GLY 23 1HA GLY 23 7.935 5.568 1.398 141 HA3 GLY 23 2HA GLY 23 8.110 5.282 -0.327 142 H GLY 24 H GLY 24 9.562 3.794 -0.839 143 HA2 GLY 24 1HA GLY 24 11.232 2.223 -0.499 144 HA3 GLY 24 2HA GLY 24 12.199 3.676 -0.294 145 H GLU 25 H GLU 25 9.647 2.594 1.878 146 HA GLU 25 HA GLU 25 11.708 2.128 3.933 147 HB2 GLU 25 1HB GLU 25 9.036 3.484 4.092 148 HB3 GLU 25 2HB GLU 25 9.735 2.739 5.522 149 HG2 GLU 25 1HG GLU 25 11.346 4.667 3.914 150 HG3 GLU 25 2HG GLU 25 10.128 5.257 5.043 151 H GLU 26 H GLU 26 10.827 0.748 5.787 152 HA GLU 26 HA GLU 26 9.768 -1.684 4.614 153 HB2 GLU 26 1HB GLU 26 11.725 -1.474 6.311 154 HB3 GLU 26 2HB GLU 26 10.453 -1.344 7.517 155 HG2 GLU 26 1HG GLU 26 9.685 -3.509 7.118 156 HG3 GLU 26 2HG GLU 26 10.521 -3.616 5.570 157 H LEU 27 H LEU 27 7.641 -1.912 4.450 158 HA LEU 27 HA LEU 27 5.940 -0.865 6.616 159 HB2 LEU 27 1HB LEU 27 5.395 0.235 4.591 160 HB3 LEU 27 2HB LEU 27 5.407 -1.277 3.686 161 HG LEU 27 HG LEU 27 3.392 -1.943 5.108 162 HD11 LEU 27 1HD1 LEU 27 2.869 0.954 5.461 163 HD12 LEU 27 2HD1 LEU 27 3.944 0.167 6.616 164 HD13 LEU 27 3HD1 LEU 27 2.298 -0.426 6.399 165 HD21 LEU 27 3HD2 LEU 27 3.561 -0.065 2.854 166 HD22 LEU 27 1HD2 LEU 27 2.012 -0.091 3.697 167 HD23 LEU 27 2HD2 LEU 27 2.668 -1.578 3.011 168 H VAL 28 H VAL 28 5.152 -2.364 7.923 169 HA VAL 28 HA VAL 28 4.823 -5.106 6.911 170 HB VAL 28 HB VAL 28 5.020 -4.131 9.765 171 HG11 VAL 28 1HG1 VAL 28 4.251 -6.705 8.574 172 HG12 VAL 28 2HG1 VAL 28 5.453 -6.802 9.862 173 HG13 VAL 28 3HG1 VAL 28 3.893 -6.037 10.166 174 HG21 VAL 28 3HG2 VAL 28 7.101 -4.087 8.274 175 HG22 VAL 28 1HG2 VAL 28 7.216 -4.944 9.811 176 HG23 VAL 28 2HG2 VAL 28 7.009 -5.848 8.311 177 H LEU 29 H LEU 29 2.850 -5.929 6.669 178 HA LEU 29 HA LEU 29 0.570 -4.405 7.715 179 HB2 LEU 29 1HB LEU 29 0.680 -6.504 5.554 180 HB3 LEU 29 2HB LEU 29 -0.762 -5.623 6.053 181 HG LEU 29 HG LEU 29 1.644 -4.185 4.982 182 HD11 LEU 29 1HD1 LEU 29 -0.625 -4.883 3.191 183 HD12 LEU 29 2HD1 LEU 29 0.631 -6.087 3.472 184 HD13 LEU 29 3HD1 LEU 29 1.054 -4.513 2.799 185 HD21 LEU 29 3HD2 LEU 29 0.224 -2.391 4.711 186 HD22 LEU 29 1HD2 LEU 29 -0.410 -3.123 6.185 187 HD23 LEU 29 2HD2 LEU 29 -1.219 -3.404 4.643 188 H THR 30 H THR 30 -0.793 -5.243 9.179 189 HA THR 30 HA THR 30 -0.209 -7.933 10.184 190 HB THR 30 HB THR 30 -1.910 -5.794 11.475 191 HG1 THR 30 1HG THR 30 0.166 -5.863 12.870 192 HG21 THR 30 3HG2 THR 30 -2.223 -8.238 12.126 193 HG22 THR 30 1HG2 THR 30 -1.848 -7.114 13.432 194 HG23 THR 30 2HG2 THR 30 -0.587 -8.161 12.781 195 H GLY 31 H GLY 31 -1.672 -9.563 10.164 196 HA2 GLY 31 1HA GLY 31 -4.402 -9.483 10.124 197 HA3 GLY 31 2HA GLY 31 -3.951 -9.295 8.436 198 H SER 32 H SER 32 -4.975 -11.280 7.942 199 HA SER 32 HA SER 32 -3.226 -13.559 8.277 200 HB2 SER 32 1HB SER 32 -5.007 -15.037 9.151 201 HB3 SER 32 2HB SER 32 -4.612 -13.744 10.283 202 HG SER 32 HG SER 32 -6.903 -14.096 8.703 203 H ASN 33 H ASN 33 -3.996 -15.446 6.987 204 HA ASN 33 HA ASN 33 -4.808 -16.394 5.079 205 HB2 ASN 33 1HB ASN 33 -6.994 -15.347 5.924 206 HB3 ASN 33 2HB ASN 33 -6.687 -14.058 4.764 207 HD21 ASN 33 1HD2 ASN 33 -8.033 -17.084 5.245 208 HD22 ASN 33 2HD2 ASN 33 -8.316 -17.507 3.594 209 H PHE 34 H PHE 34 -2.505 -15.019 4.863 210 HA PHE 34 HA PHE 34 -2.745 -13.317 2.489 211 HB2 PHE 34 1HB PHE 34 -0.513 -13.758 4.469 212 HB3 PHE 34 2HB PHE 34 -0.272 -12.887 2.958 213 HD1 PHE 34 1HD PHE 34 -2.731 -11.333 2.729 214 HD2 PHE 34 2HD PHE 34 -0.335 -12.179 6.144 215 HE1 PHE 34 1HE PHE 34 -3.527 -9.263 3.795 216 HE2 PHE 34 2HE PHE 34 -1.128 -10.111 7.216 217 HZ PHE 34 HZ PHE 34 -2.726 -8.650 6.042 218 H LEU 35 H LEU 35 -0.731 -13.586 0.976 219 HA LEU 35 HA LEU 35 -0.258 -16.452 0.510 220 HB2 LEU 35 1HB LEU 35 -1.336 -14.385 -1.330 221 HB3 LEU 35 2HB LEU 35 -0.239 -15.590 -2.001 222 HG LEU 35 HG LEU 35 -2.569 -16.532 -0.403 223 HD11 LEU 35 1HD1 LEU 35 -3.714 -14.991 -1.764 224 HD12 LEU 35 2HD1 LEU 35 -3.876 -16.549 -2.575 225 HD13 LEU 35 3HD1 LEU 35 -2.712 -15.363 -3.168 226 HD21 LEU 35 3HD2 LEU 35 -0.847 -17.529 -2.633 227 HD22 LEU 35 1HD2 LEU 35 -2.451 -18.217 -2.378 228 HD23 LEU 35 2HD2 LEU 35 -1.245 -18.293 -1.093 229 HA PRO 36 HA PRO 36 3.996 -15.438 0.117 230 HB2 PRO 36 1HB PRO 36 4.813 -17.316 -1.665 231 HB3 PRO 36 2HB PRO 36 4.399 -17.698 0.010 232 HG2 PRO 36 1HG PRO 36 2.748 -18.008 -2.468 233 HG3 PRO 36 2HG PRO 36 2.939 -19.125 -1.104 234 HD2 PRO 36 1HD PRO 36 0.785 -17.506 -1.370 235 HD3 PRO 36 2HD PRO 36 1.439 -17.972 0.213 236 H ASP 37 H ASP 37 1.890 -15.321 -2.599 237 HA ASP 37 HA ASP 37 3.814 -13.591 -4.002 238 HB2 ASP 37 1HB ASP 37 3.152 -14.473 -6.132 239 HB3 ASP 37 2HB ASP 37 3.579 -15.837 -5.103 240 H SER 38 H SER 38 1.718 -12.864 -2.165 241 HA SER 38 HA SER 38 -0.644 -12.050 -3.424 242 HB2 SER 38 1HB SER 38 0.803 -11.262 -0.938 243 HB3 SER 38 2HB SER 38 -0.486 -10.204 -1.511 244 HG SER 38 HG SER 38 -1.877 -12.026 -1.479 245 H LYS 39 H LYS 39 -1.257 -9.642 -3.591 246 HA LYS 39 HA LYS 39 0.915 -8.157 -4.914 247 HB2 LYS 39 1HB LYS 39 -0.680 -9.194 -6.542 248 HB3 LYS 39 2HB LYS 39 -1.966 -8.230 -5.827 249 HG2 LYS 39 1HG LYS 39 -1.030 -6.216 -6.599 250 HG3 LYS 39 2HG LYS 39 0.511 -6.987 -6.981 251 HD2 LYS 39 1HD LYS 39 -2.038 -7.807 -8.340 252 HD3 LYS 39 2HD LYS 39 -1.076 -6.447 -8.923 253 HE2 LYS 39 1HE LYS 39 0.155 -9.139 -8.436 254 HE3 LYS 39 2HE LYS 39 -0.664 -8.768 -9.952 255 HZ1 LYS 39 3HZ LYS 39 1.917 -8.317 -9.540 256 HZ2 LYS 39 1HZ LYS 39 1.296 -6.822 -9.049 257 HZ3 LYS 39 2HZ LYS 39 0.980 -7.398 -10.608 258 H VAL 40 H VAL 40 0.870 -5.910 -4.725 259 HA VAL 40 HA VAL 40 -1.185 -4.763 -2.969 260 HB VAL 40 HB VAL 40 1.791 -4.395 -2.595 261 HG11 VAL 40 1HG1 VAL 40 1.398 -2.546 -1.418 262 HG12 VAL 40 2HG1 VAL 40 -0.235 -2.565 -2.088 263 HG13 VAL 40 3HG1 VAL 40 0.086 -3.313 -0.523 264 HG21 VAL 40 3HG2 VAL 40 1.685 -5.748 -0.763 265 HG22 VAL 40 1HG2 VAL 40 -0.008 -5.369 -0.443 266 HG23 VAL 40 2HG2 VAL 40 0.416 -6.496 -1.732 267 H VAL 41 H VAL 41 -2.131 -3.352 -4.311 268 HA VAL 41 HA VAL 41 -0.404 -1.569 -5.899 269 HB VAL 41 HB VAL 41 -2.165 -1.292 -7.476 270 HG11 VAL 41 1HG1 VAL 41 -0.808 -3.473 -7.427 271 HG12 VAL 41 2HG1 VAL 41 -2.303 -4.225 -6.866 272 HG13 VAL 41 3HG1 VAL 41 -2.254 -3.417 -8.434 273 HG21 VAL 41 3HG2 VAL 41 -3.910 -2.921 -5.630 274 HG22 VAL 41 1HG2 VAL 41 -4.029 -1.181 -5.897 275 HG23 VAL 41 2HG2 VAL 41 -4.374 -2.302 -7.215 276 H PHE 42 H PHE 42 -0.904 0.648 -5.993 277 HA PHE 42 HA PHE 42 -2.519 1.595 -3.721 278 HB2 PHE 42 1HB PHE 42 -0.046 2.677 -5.039 279 HB3 PHE 42 2HB PHE 42 -1.104 3.740 -4.116 280 HD1 PHE 42 2HD PHE 42 0.176 0.270 -3.607 281 HD2 PHE 42 1HD PHE 42 -0.218 4.216 -2.061 282 HE1 PHE 42 2HE PHE 42 1.287 -0.437 -1.529 283 HE2 PHE 42 1HE PHE 42 0.893 3.515 0.020 284 HZ PHE 42 HZ PHE 42 1.647 1.186 0.288 285 H ILE 43 H ILE 43 -3.574 3.723 -4.027 286 HA ILE 43 HA ILE 43 -4.295 4.290 -6.813 287 HB ILE 43 HB ILE 43 -6.667 4.517 -6.204 288 HG12 ILE 43 1HG1 ILE 43 -5.926 3.173 -3.600 289 HG13 ILE 43 2HG1 ILE 43 -6.212 4.903 -3.753 290 HG21 ILE 43 1HG2 ILE 43 -7.125 2.338 -6.625 291 HG22 ILE 43 2HG2 ILE 43 -5.384 2.280 -6.896 292 HG23 ILE 43 3HG2 ILE 43 -6.054 1.751 -5.353 293 HD11 ILE 43 3HD1 ILE 43 -8.376 3.340 -4.870 294 HD12 ILE 43 1HD1 ILE 43 -8.087 2.972 -3.170 295 HD13 ILE 43 2HD1 ILE 43 -8.411 4.632 -3.671 296 H GLU 44 H GLU 44 -5.464 6.384 -7.032 297 HA GLU 44 HA GLU 44 -5.056 8.272 -4.854 298 HB2 GLU 44 1HB GLU 44 -2.946 8.464 -5.955 299 HB3 GLU 44 2HB GLU 44 -3.704 8.496 -7.541 300 HG2 GLU 44 1HG GLU 44 -4.823 10.655 -6.771 301 HG3 GLU 44 2HG GLU 44 -3.654 10.641 -5.451 302 H ARG 45 H ARG 45 -6.635 9.751 -4.765 303 HA ARG 45 HA ARG 45 -8.683 9.688 -6.824 304 HB2 ARG 45 1HB ARG 45 -8.513 10.653 -4.013 305 HB3 ARG 45 2HB ARG 45 -9.688 11.424 -5.070 306 HG2 ARG 45 1HG ARG 45 -10.880 9.439 -5.387 307 HG3 ARG 45 2HG ARG 45 -9.550 8.444 -4.790 308 HD2 ARG 45 1HD ARG 45 -9.948 9.032 -2.569 309 HD3 ARG 45 2HD ARG 45 -10.885 10.457 -3.018 310 HE ARG 45 HE ARG 45 -11.839 7.747 -2.790 311 HH11 ARG 45 1HH1 ARG 45 -12.399 10.899 -4.159 312 HH12 ARG 45 2HH1 ARG 45 -14.103 10.654 -4.355 313 HH21 ARG 45 1HH2 ARG 45 -14.082 7.413 -3.043 314 HH22 ARG 45 2HH2 ARG 45 -15.059 8.672 -3.720 315 H GLY 46 H GLY 46 -9.103 11.274 -8.255 316 HA2 GLY 46 1HA GLY 46 -7.305 13.603 -8.214 317 HA3 GLY 46 2HA GLY 46 -8.109 12.962 -9.639 318 HA PRO 47 HA PRO 47 -10.471 16.571 -7.629 319 HB2 PRO 47 1HB PRO 47 -9.855 18.497 -9.441 320 HB3 PRO 47 2HB PRO 47 -8.897 18.206 -7.985 321 HG2 PRO 47 1HG PRO 47 -8.396 17.298 -10.793 322 HG3 PRO 47 2HG PRO 47 -7.252 17.955 -9.609 323 HD2 PRO 47 1HD PRO 47 -7.467 15.303 -10.112 324 HD3 PRO 47 2HD PRO 47 -7.037 15.939 -8.511 325 H ASP 48 H ASP 48 -10.423 14.672 -10.323 326 HA ASP 48 HA ASP 48 -12.577 16.017 -11.744 327 HB2 ASP 48 1HB ASP 48 -11.207 13.380 -12.318 328 HB3 ASP 48 2HB ASP 48 -12.359 14.192 -13.374 329 H GLY 49 H GLY 49 -12.033 13.101 -9.822 330 HA2 GLY 49 1HA GLY 49 -14.169 12.749 -8.398 331 HA3 GLY 49 2HA GLY 49 -14.905 12.489 -9.972 332 H LYS 50 H LYS 50 -12.594 11.140 -11.094 333 HA LYS 50 HA LYS 50 -12.943 8.554 -9.746 334 HB2 LYS 50 1HB LYS 50 -12.169 7.584 -11.910 335 HB3 LYS 50 2HB LYS 50 -13.656 8.514 -12.043 336 HG2 LYS 50 1HG LYS 50 -12.344 10.428 -12.881 337 HG3 LYS 50 2HG LYS 50 -10.894 9.425 -12.824 338 HD2 LYS 50 1HD LYS 50 -11.547 9.217 -15.035 339 HD3 LYS 50 2HD LYS 50 -12.282 7.792 -14.296 340 HE2 LYS 50 1HE LYS 50 -14.003 8.671 -15.588 341 HE3 LYS 50 2HE LYS 50 -14.349 9.296 -13.976 342 HZ1 LYS 50 3HZ LYS 50 -12.909 11.284 -14.830 343 HZ2 LYS 50 1HZ LYS 50 -14.552 11.180 -15.219 344 HZ3 LYS 50 2HZ LYS 50 -13.384 10.716 -16.351 345 H LEU 51 H LEU 51 -11.149 7.169 -9.420 346 HA LEU 51 HA LEU 51 -8.617 8.625 -9.118 347 HB2 LEU 51 1HB LEU 51 -8.049 6.640 -7.626 348 HB3 LEU 51 2HB LEU 51 -9.251 7.788 -7.040 349 HG LEU 51 HG LEU 51 -11.021 6.182 -7.810 350 HD11 LEU 51 1HD1 LEU 51 -8.617 4.732 -8.663 351 HD12 LEU 51 2HD1 LEU 51 -10.275 4.637 -9.255 352 HD13 LEU 51 3HD1 LEU 51 -9.808 3.758 -7.800 353 HD21 LEU 51 3HD2 LEU 51 -9.597 4.528 -5.913 354 HD22 LEU 51 1HD2 LEU 51 -11.075 5.468 -5.704 355 HD23 LEU 51 2HD2 LEU 51 -9.503 6.237 -5.483 356 H GLN 52 H GLN 52 -6.815 8.019 -10.173 357 HA GLN 52 HA GLN 52 -6.683 5.403 -11.449 358 HB2 GLN 52 1HB GLN 52 -6.311 7.963 -13.012 359 HB3 GLN 52 2HB GLN 52 -6.107 6.330 -13.631 360 HG2 GLN 52 1HG GLN 52 -8.721 7.164 -12.460 361 HG3 GLN 52 2HG GLN 52 -8.295 7.632 -14.106 362 HE21 GLN 52 1HE2 GLN 52 -9.325 6.362 -15.466 363 HE22 GLN 52 2HE2 GLN 52 -9.479 4.646 -15.341 364 H TRP 53 H TRP 53 -4.886 4.681 -10.480 365 HA TRP 53 HA TRP 53 -2.391 6.051 -11.025 366 HB2 TRP 53 1HB TRP 53 -3.297 6.947 -8.816 367 HB3 TRP 53 2HB TRP 53 -3.033 5.332 -8.166 368 HD1 TRP 53 HD TRP 53 -0.562 7.056 -10.558 369 HE1 TRP 53 1HE TRP 53 1.660 7.410 -9.309 370 HE3 TRP 53 3HE TRP 53 -2.004 5.546 -5.891 371 HZ2 TRP 53 2HZ TRP 53 2.669 7.092 -6.692 372 HZ3 TRP 53 3HZ TRP 53 -0.350 5.601 -4.070 373 HH2 TRP 53 HH TRP 53 1.938 6.357 -4.464 374 H GLU 54 H GLU 54 -1.170 4.505 -11.870 375 HA GLU 54 HA GLU 54 -1.451 1.760 -10.860 376 HB2 GLU 54 1HB GLU 54 -1.833 2.171 -13.297 377 HB3 GLU 54 2HB GLU 54 -0.156 2.682 -13.429 378 HG2 GLU 54 1HG GLU 54 0.659 0.539 -13.037 379 HG3 GLU 54 2HG GLU 54 -0.863 -0.014 -12.342 380 H GLU 55 H GLU 55 -0.047 1.467 -9.232 381 HA GLU 55 HA GLU 55 2.789 1.777 -9.819 382 HB2 GLU 55 1HB GLU 55 1.316 3.274 -7.699 383 HB3 GLU 55 2HB GLU 55 2.940 2.705 -7.342 384 HG2 GLU 55 1HG GLU 55 2.258 4.379 -9.743 385 HG3 GLU 55 2HG GLU 55 2.788 5.047 -8.200 386 H GLU 56 H GLU 56 3.610 -0.168 -9.458 387 HA GLU 56 HA GLU 56 2.377 -1.938 -7.501 388 HB2 GLU 56 1HB GLU 56 2.857 -2.917 -9.648 389 HB3 GLU 56 2HB GLU 56 4.530 -2.383 -9.571 390 HG2 GLU 56 1HG GLU 56 4.832 -3.863 -7.587 391 HG3 GLU 56 2HG GLU 56 3.209 -4.487 -7.878 392 H ALA 57 H ALA 57 3.390 -2.749 -5.701 393 HA ALA 57 HA ALA 57 5.879 -1.382 -4.921 394 HB1 ALA 57 3HB ALA 57 3.419 -1.584 -3.594 395 HB2 ALA 57 1HB ALA 57 4.537 -2.621 -2.707 396 HB3 ALA 57 2HB ALA 57 4.928 -0.921 -2.970 397 H THR 58 H THR 58 7.586 -2.539 -4.094 398 HA THR 58 HA THR 58 7.914 -5.197 -4.973 399 HB THR 58 HB THR 58 9.552 -3.722 -2.901 400 HG1 THR 58 1HG THR 58 10.460 -2.712 -4.536 401 HG21 THR 58 3HG2 THR 58 10.055 -6.068 -2.843 402 HG22 THR 58 1HG2 THR 58 11.361 -5.254 -3.703 403 HG23 THR 58 2HG2 THR 58 10.134 -6.146 -4.603 404 H VAL 59 H VAL 59 8.051 -7.138 -3.830 405 HA VAL 59 HA VAL 59 7.029 -7.121 -1.075 406 HB VAL 59 HB VAL 59 5.982 -8.753 -3.376 407 HG11 VAL 59 1HG1 VAL 59 4.614 -9.888 -1.497 408 HG12 VAL 59 2HG1 VAL 59 6.262 -10.440 -1.805 409 HG13 VAL 59 3HG1 VAL 59 5.930 -9.366 -0.446 410 HG21 VAL 59 3HG2 VAL 59 3.869 -7.867 -2.785 411 HG22 VAL 59 1HG2 VAL 59 4.476 -7.254 -1.247 412 HG23 VAL 59 2HG2 VAL 59 4.993 -6.508 -2.759 413 H ASN 60 H ASN 60 8.016 -8.512 0.284 414 HA ASN 60 HA ASN 60 10.020 -10.329 -0.883 415 HB2 ASN 60 1HB ASN 60 10.674 -8.299 0.660 416 HB3 ASN 60 2HB ASN 60 10.182 -9.387 1.954 417 HD21 ASN 60 1HD2 ASN 60 12.628 -8.757 2.222 418 HD22 ASN 60 2HD2 ASN 60 13.730 -9.950 1.632 419 H ARG 61 H ARG 61 8.498 -12.037 -1.065 420 HA ARG 61 HA ARG 61 6.825 -13.009 0.910 421 HB2 ARG 61 1HB ARG 61 6.895 -15.146 -0.268 422 HB3 ARG 61 2HB ARG 61 6.798 -13.811 -1.408 423 HG2 ARG 61 1HG ARG 61 9.394 -15.127 -0.667 424 HG3 ARG 61 2HG ARG 61 8.381 -15.680 -2.002 425 HD2 ARG 61 1HD ARG 61 8.477 -13.189 -2.748 426 HD3 ARG 61 2HD ARG 61 9.896 -13.120 -1.704 427 HE ARG 61 HE ARG 61 11.054 -14.383 -3.235 428 HH11 ARG 61 1HH1 ARG 61 7.660 -14.431 -4.006 429 HH12 ARG 61 2HH1 ARG 61 7.887 -15.192 -5.546 430 HH21 ARG 61 1HH2 ARG 61 11.367 -15.385 -5.260 431 HH22 ARG 61 2HH2 ARG 61 9.996 -15.735 -6.258 432 H LEU 62 H LEU 62 10.257 -13.660 0.380 433 HA LEU 62 HA LEU 62 10.748 -15.736 2.073 434 HB2 LEU 62 1HB LEU 62 12.385 -13.235 1.694 435 HB3 LEU 62 2HB LEU 62 12.970 -14.687 2.503 436 HG LEU 62 HG LEU 62 13.862 -14.757 0.327 437 HD11 LEU 62 1HD1 LEU 62 11.481 -16.463 -0.165 438 HD12 LEU 62 2HD1 LEU 62 12.464 -16.792 1.261 439 HD13 LEU 62 3HD1 LEU 62 13.197 -16.831 -0.343 440 HD21 LEU 62 3HD2 LEU 62 12.879 -14.001 -1.563 441 HD22 LEU 62 1HD2 LEU 62 11.886 -13.101 -0.416 442 HD23 LEU 62 2HD2 LEU 62 11.285 -14.608 -1.110 443 H GLN 63 H GLN 63 10.785 -12.302 3.043 444 HA GLN 63 HA GLN 63 10.944 -12.943 5.828 445 HB2 GLN 63 1HB GLN 63 10.326 -10.337 4.427 446 HB3 GLN 63 2HB GLN 63 10.607 -10.503 6.155 447 HG2 GLN 63 1HG GLN 63 12.863 -11.524 5.485 448 HG3 GLN 63 2HG GLN 63 12.545 -10.825 3.899 449 HE21 GLN 63 1HE2 GLN 63 14.737 -10.010 5.194 450 HE22 GLN 63 2HE2 GLN 63 14.543 -8.401 5.791 451 H SER 64 H SER 64 8.382 -11.772 3.674 452 HA SER 64 HA SER 64 6.357 -11.327 5.476 453 HB2 SER 64 1HB SER 64 4.922 -11.329 3.676 454 HB3 SER 64 2HB SER 64 6.460 -11.206 2.823 455 HG SER 64 HG SER 64 6.273 -13.671 2.930 456 H ASN 65 H ASN 65 4.566 -12.603 6.192 457 HA ASN 65 HA ASN 65 5.144 -15.488 6.341 458 HB2 ASN 65 1HB ASN 65 5.527 -14.093 8.479 459 HB3 ASN 65 2HB ASN 65 3.771 -13.977 8.554 460 HD21 ASN 65 1HD2 ASN 65 2.958 -15.366 9.929 461 HD22 ASN 65 2HD2 ASN 65 3.510 -16.981 10.201 462 H GLU 66 H GLU 66 3.039 -16.621 7.279 463 HA GLU 66 HA GLU 66 1.057 -16.336 5.274 464 HB2 GLU 66 1HB GLU 66 1.545 -18.488 6.345 465 HB3 GLU 66 2HB GLU 66 0.960 -17.865 7.881 466 HG2 GLU 66 1HG GLU 66 -1.266 -17.519 6.786 467 HG3 GLU 66 2HG GLU 66 -0.635 -18.390 5.389 468 H VAL 67 H VAL 67 1.481 -14.942 8.403 469 HA VAL 67 HA VAL 67 -1.246 -13.829 8.293 470 HB VAL 67 HB VAL 67 -1.012 -13.401 10.724 471 HG11 VAL 67 1HG1 VAL 67 -0.476 -16.301 10.485 472 HG12 VAL 67 2HG1 VAL 67 -1.811 -15.452 11.268 473 HG13 VAL 67 3HG1 VAL 67 -1.798 -15.653 9.515 474 HG21 VAL 67 3HG2 VAL 67 0.824 -13.964 11.961 475 HG22 VAL 67 1HG2 VAL 67 1.303 -15.259 10.865 476 HG23 VAL 67 2HG2 VAL 67 1.613 -13.578 10.432 477 H THR 68 H THR 68 2.098 -13.123 8.185 478 HA THR 68 HA THR 68 1.534 -10.243 8.466 479 HB THR 68 HB THR 68 4.146 -11.696 8.932 480 HG1 THR 68 1HG THR 68 3.620 -10.563 11.094 481 HG21 THR 68 3HG2 THR 68 4.872 -9.428 9.779 482 HG22 THR 68 1HG2 THR 68 3.438 -8.767 8.996 483 HG23 THR 68 2HG2 THR 68 4.682 -9.562 8.031 484 H LEU 69 H LEU 69 2.630 -8.800 7.031 485 HA LEU 69 HA LEU 69 3.720 -10.038 4.601 486 HB2 LEU 69 1HB LEU 69 1.381 -8.243 4.872 487 HB3 LEU 69 2HB LEU 69 2.469 -7.936 3.519 488 HG LEU 69 HG LEU 69 1.137 -10.590 4.044 489 HD11 LEU 69 1HD1 LEU 69 -0.281 -9.928 2.074 490 HD12 LEU 69 2HD1 LEU 69 0.309 -8.282 2.302 491 HD13 LEU 69 3HD1 LEU 69 -0.618 -9.071 3.578 492 HD21 LEU 69 3HD2 LEU 69 3.269 -10.557 2.726 493 HD22 LEU 69 1HD2 LEU 69 2.445 -9.543 1.542 494 HD23 LEU 69 2HD2 LEU 69 1.866 -11.179 1.854 495 H THR 70 H THR 70 5.471 -9.047 3.768 496 HA THR 70 HA THR 70 6.248 -6.453 4.937 497 HB THR 70 HB THR 70 8.116 -8.680 4.102 498 HG1 THR 70 1HG THR 70 6.841 -8.959 6.112 499 HG21 THR 70 3HG2 THR 70 9.442 -6.888 5.762 500 HG22 THR 70 1HG2 THR 70 8.506 -5.864 4.673 501 HG23 THR 70 2HG2 THR 70 9.639 -7.047 4.017 502 H LEU 71 H LEU 71 6.353 -4.872 3.495 503 HA LEU 71 HA LEU 71 7.349 -5.435 0.804 504 HB2 LEU 71 1HB LEU 71 5.557 -4.430 -0.311 505 HB3 LEU 71 2HB LEU 71 4.814 -5.499 0.877 506 HG LEU 71 HG LEU 71 5.163 -2.550 1.356 507 HD11 LEU 71 1HD1 LEU 71 3.847 -2.762 -0.652 508 HD12 LEU 71 2HD1 LEU 71 2.795 -2.323 0.693 509 HD13 LEU 71 3HD1 LEU 71 2.826 -3.985 0.104 510 HD21 LEU 71 3HD2 LEU 71 4.315 -4.723 2.947 511 HD22 LEU 71 1HD2 LEU 71 2.887 -3.755 2.581 512 HD23 LEU 71 2HD2 LEU 71 4.290 -3.004 3.343 513 H THR 72 H THR 72 7.586 -3.271 -0.428 514 HA THR 72 HA THR 72 8.725 -1.302 1.444 515 HB THR 72 HB THR 72 9.526 -1.690 -1.442 516 HG1 THR 72 1HG THR 72 10.873 -2.625 0.891 517 HG21 THR 72 3HG2 THR 72 11.135 -0.402 0.740 518 HG22 THR 72 1HG2 THR 72 9.939 0.517 -0.172 519 HG23 THR 72 2HG2 THR 72 11.300 -0.231 -1.007 520 H VAL 73 H VAL 73 7.362 0.354 1.670 521 HA VAL 73 HA VAL 73 5.241 1.153 0.234 522 HB VAL 73 HB VAL 73 7.253 3.096 1.376 523 HG11 VAL 73 1HG1 VAL 73 5.602 4.187 -0.023 524 HG12 VAL 73 2HG1 VAL 73 4.297 3.369 0.839 525 HG13 VAL 73 3HG1 VAL 73 5.297 4.559 1.673 526 HG21 VAL 73 3HG2 VAL 73 6.718 1.521 3.082 527 HG22 VAL 73 1HG2 VAL 73 5.776 2.978 3.403 528 HG23 VAL 73 2HG2 VAL 73 5.003 1.570 2.675 529 HA PRO 74 HA PRO 74 6.729 2.193 -3.806 530 HB2 PRO 74 1HB PRO 74 4.435 3.318 -4.724 531 HB3 PRO 74 2HB PRO 74 4.648 1.571 -4.553 532 HG2 PRO 74 1HG PRO 74 3.270 3.499 -2.724 533 HG3 PRO 74 2HG PRO 74 2.758 1.880 -3.234 534 HD2 PRO 74 1HD PRO 74 3.914 2.352 -0.832 535 HD3 PRO 74 2HD PRO 74 4.135 0.827 -1.715 536 H GLU 75 H GLU 75 6.618 4.191 -5.276 537 HA GLU 75 HA GLU 75 7.186 6.550 -3.621 538 HB2 GLU 75 1HB GLU 75 8.165 5.624 -6.300 539 HB3 GLU 75 2HB GLU 75 8.248 7.328 -5.876 540 HG2 GLU 75 1HG GLU 75 9.712 6.913 -4.077 541 HG3 GLU 75 2HG GLU 75 9.416 5.176 -4.141 542 H TYR 76 H TYR 76 5.716 8.102 -3.566 543 HA TYR 76 HA TYR 76 3.395 8.128 -5.148 544 HB2 TYR 76 1HB TYR 76 3.718 9.192 -2.866 545 HB3 TYR 76 2HB TYR 76 4.534 10.514 -3.692 546 HD1 TYR 76 1HD TYR 76 1.337 8.586 -3.926 547 HD2 TYR 76 2HD TYR 76 3.270 12.363 -4.236 548 HE1 TYR 76 1HE TYR 76 -0.837 9.657 -4.343 549 HE2 TYR 76 2HE TYR 76 1.101 13.446 -4.652 550 HH TYR 76 HH TYR 76 -1.684 11.737 -5.441 551 H SER 77 H SER 77 2.688 9.811 -6.632 552 HA SER 77 HA SER 77 4.593 10.250 -8.700 553 HB2 SER 77 1HB SER 77 2.089 9.899 -8.990 554 HB3 SER 77 2HB SER 77 1.887 11.574 -8.474 555 HG SER 77 HG SER 77 2.105 11.856 -10.575 556 H ASN 78 H ASN 78 2.907 12.422 -6.446 557 HA ASN 78 HA ASN 78 4.733 14.584 -7.224 558 HB2 ASN 78 1HB ASN 78 2.117 14.784 -7.098 559 HB3 ASN 78 2HB ASN 78 2.411 14.979 -5.372 560 HD21 ASN 78 1HD2 ASN 78 1.246 17.029 -6.447 561 HD22 ASN 78 2HD2 ASN 78 2.330 18.345 -6.728 562 H LYS 79 H LYS 79 6.548 13.811 -6.073 563 HA LYS 79 HA LYS 79 6.402 13.375 -3.232 564 HB2 LYS 79 1HB LYS 79 8.696 13.527 -5.185 565 HB3 LYS 79 2HB LYS 79 8.938 13.302 -3.458 566 HG2 LYS 79 1HG LYS 79 7.586 11.248 -3.559 567 HG3 LYS 79 2HG LYS 79 7.428 11.464 -5.304 568 HD2 LYS 79 1HD LYS 79 9.999 11.510 -5.324 569 HD3 LYS 79 2HD LYS 79 9.885 10.830 -3.699 570 HE2 LYS 79 1HE LYS 79 9.995 8.905 -4.927 571 HE3 LYS 79 2HE LYS 79 8.249 9.142 -4.889 572 HZ1 LYS 79 3HZ LYS 79 9.525 10.488 -7.080 573 HZ2 LYS 79 1HZ LYS 79 8.183 9.458 -7.079 574 HZ3 LYS 79 2HZ LYS 79 9.745 8.811 -7.123 575 H ARG 80 H ARG 80 7.486 15.953 -5.380 576 HA ARG 80 HA ARG 80 8.516 17.583 -3.256 577 HB2 ARG 80 1HB ARG 80 7.929 18.117 -6.166 578 HB3 ARG 80 2HB ARG 80 8.539 19.358 -5.080 579 HG2 ARG 80 1HG ARG 80 10.578 18.215 -4.760 580 HG3 ARG 80 2HG ARG 80 9.951 16.742 -5.502 581 HD2 ARG 80 1HD ARG 80 9.700 18.051 -7.634 582 HD3 ARG 80 2HD ARG 80 10.585 19.359 -6.849 583 HE ARG 80 HE ARG 80 11.669 16.901 -7.875 584 HH11 ARG 80 1HH1 ARG 80 12.129 19.523 -5.631 585 HH12 ARG 80 2HH1 ARG 80 13.849 19.332 -5.559 586 HH21 ARG 80 1HH2 ARG 80 13.933 16.640 -7.788 587 HH22 ARG 80 2HH2 ARG 80 14.875 17.692 -6.787 588 H VAL 81 H VAL 81 6.114 16.949 -2.350 589 HA VAL 81 HA VAL 81 4.327 19.199 -2.971 590 HB VAL 81 HB VAL 81 2.625 17.875 -1.661 591 HG11 VAL 81 1HG1 VAL 81 3.789 17.142 -4.278 592 HG12 VAL 81 2HG1 VAL 81 2.641 16.001 -3.574 593 HG13 VAL 81 3HG1 VAL 81 2.158 17.673 -3.868 594 HG21 VAL 81 3HG2 VAL 81 4.639 15.648 -1.954 595 HG22 VAL 81 1HG2 VAL 81 4.277 16.484 -0.444 596 HG23 VAL 81 2HG2 VAL 81 3.027 15.534 -1.247 597 H SER 82 H SER 82 3.816 20.701 -1.474 598 HA SER 82 HA SER 82 5.433 20.879 0.882 599 HB2 SER 82 1HB SER 82 4.630 22.827 -0.560 600 HB3 SER 82 2HB SER 82 3.062 22.628 0.222 601 HG SER 82 HG SER 82 4.520 24.181 1.225 602 H ARG 83 H ARG 83 2.296 19.666 0.153 603 HA ARG 83 HA ARG 83 1.761 19.336 3.032 604 HB2 ARG 83 1HB ARG 83 -0.659 19.292 2.429 605 HB3 ARG 83 2HB ARG 83 0.119 20.839 2.123 606 HG2 ARG 83 1HG ARG 83 -1.108 20.581 0.212 607 HG3 ARG 83 2HG ARG 83 0.429 19.870 -0.285 608 HD2 ARG 83 1HD ARG 83 -0.386 17.695 -0.126 609 HD3 ARG 83 2HD ARG 83 -1.726 18.173 0.916 610 HE ARG 83 HE ARG 83 -1.714 18.116 -1.928 611 HH11 ARG 83 1HH1 ARG 83 -2.996 19.830 0.818 612 HH12 ARG 83 2HH1 ARG 83 -4.408 20.381 -0.021 613 HH21 ARG 83 1HH2 ARG 83 -3.569 18.836 -3.043 614 HH22 ARG 83 2HH2 ARG 83 -4.734 19.814 -2.217 615 HA PRO 84 HA PRO 84 1.688 14.989 2.430 616 HB2 PRO 84 1HB PRO 84 -0.162 14.237 4.269 617 HB3 PRO 84 2HB PRO 84 1.455 14.800 4.708 618 HG2 PRO 84 1HG PRO 84 -1.135 16.301 4.699 619 HG3 PRO 84 2HG PRO 84 0.160 16.311 5.911 620 HD2 PRO 84 1HD PRO 84 -0.129 18.276 4.071 621 HD3 PRO 84 2HD PRO 84 1.457 17.779 4.696 622 H VAL 85 H VAL 85 0.712 13.558 1.109 623 HA VAL 85 HA VAL 85 -1.944 14.255 0.079 624 HB VAL 85 HB VAL 85 0.090 12.331 -1.057 625 HG11 VAL 85 1HG1 VAL 85 -2.643 12.525 -1.548 626 HG12 VAL 85 2HG1 VAL 85 -1.880 13.372 -2.895 627 HG13 VAL 85 3HG1 VAL 85 -1.443 11.700 -2.541 628 HG21 VAL 85 3HG2 VAL 85 1.160 14.139 -1.792 629 HG22 VAL 85 1HG2 VAL 85 -0.256 14.500 -2.780 630 HG23 VAL 85 2HG2 VAL 85 -0.100 15.206 -1.172 631 H GLN 86 H GLN 86 -3.657 12.871 0.155 632 HA GLN 86 HA GLN 86 -3.383 10.591 1.960 633 HB2 GLN 86 1HB GLN 86 -5.143 12.150 2.513 634 HB3 GLN 86 2HB GLN 86 -5.813 12.032 0.891 635 HG2 GLN 86 1HG GLN 86 -7.229 10.688 2.099 636 HG3 GLN 86 2HG GLN 86 -6.079 9.520 1.449 637 HE21 GLN 86 1HE2 GLN 86 -5.991 7.985 2.951 638 HE22 GLN 86 2HE2 GLN 86 -5.626 8.239 4.620 639 H VAL 87 H VAL 87 -2.988 8.680 1.075 640 HA VAL 87 HA VAL 87 -4.257 8.038 -1.509 641 HB VAL 87 HB VAL 87 -2.395 6.521 -1.971 642 HG11 VAL 87 1HG1 VAL 87 -2.266 8.808 -2.792 643 HG12 VAL 87 2HG1 VAL 87 -1.497 9.319 -1.288 644 HG13 VAL 87 3HG1 VAL 87 -0.662 8.206 -2.374 645 HG21 VAL 87 3HG2 VAL 87 -0.528 6.257 -0.576 646 HG22 VAL 87 1HG2 VAL 87 -0.958 7.655 0.409 647 HG23 VAL 87 2HG2 VAL 87 -1.909 6.174 0.517 648 H TYR 88 H TYR 88 -4.156 5.481 -1.777 649 HA TYR 88 HA TYR 88 -4.851 4.127 0.710 650 HB2 TYR 88 1HB TYR 88 -6.750 4.048 -1.634 651 HB3 TYR 88 2HB TYR 88 -7.006 3.409 -0.013 652 HD1 TYR 88 1HD TYR 88 -7.285 5.021 1.899 653 HD2 TYR 88 2HD TYR 88 -7.297 6.284 -2.164 654 HE1 TYR 88 1HE TYR 88 -8.362 7.129 2.564 655 HE2 TYR 88 2HE TYR 88 -8.373 8.397 -1.510 656 HH TYR 88 HH TYR 88 -9.206 9.062 1.881 657 H PHE 89 H PHE 89 -4.596 1.906 0.643 658 HA PHE 89 HA PHE 89 -3.806 0.689 -1.898 659 HB2 PHE 89 1HB PHE 89 -1.820 -0.333 -0.894 660 HB3 PHE 89 2HB PHE 89 -1.720 1.424 -0.823 661 HD1 PHE 89 1HD PHE 89 -1.898 2.596 1.295 662 HD2 PHE 89 2HD PHE 89 -2.053 -1.653 1.103 663 HE1 PHE 89 1HE PHE 89 -1.508 2.476 3.721 664 HE2 PHE 89 2HE PHE 89 -1.665 -1.780 3.529 665 HZ PHE 89 HZ PHE 89 -1.393 0.286 4.842 666 H TYR 90 H TYR 90 -3.784 -1.669 -1.825 667 HA TYR 90 HA TYR 90 -4.999 -2.980 0.443 668 HB2 TYR 90 1HB TYR 90 -6.959 -3.797 -0.761 669 HB3 TYR 90 2HB TYR 90 -6.962 -2.037 -0.711 670 HD1 TYR 90 2HD TYR 90 -6.344 -0.750 -2.760 671 HD2 TYR 90 1HD TYR 90 -6.894 -4.969 -2.826 672 HE1 TYR 90 2HE TYR 90 -6.572 -0.677 -5.208 673 HE2 TYR 90 1HE TYR 90 -7.123 -4.907 -5.274 674 HH TYR 90 HH TYR 90 -7.916 -2.661 -6.991 675 H VAL 91 H VAL 91 -5.475 -5.364 -0.180 676 HA VAL 91 HA VAL 91 -3.266 -6.300 -1.893 677 HB VAL 91 HB VAL 91 -4.483 -7.733 0.472 678 HG11 VAL 91 1HG1 VAL 91 -2.842 -8.620 -1.698 679 HG12 VAL 91 2HG1 VAL 91 -1.940 -8.741 -0.186 680 HG13 VAL 91 3HG1 VAL 91 -3.501 -9.546 -0.350 681 HG21 VAL 91 3HG2 VAL 91 -2.440 -7.214 1.662 682 HG22 VAL 91 1HG2 VAL 91 -1.806 -6.360 0.255 683 HG23 VAL 91 2HG2 VAL 91 -3.205 -5.721 1.117 684 H SER 92 H SER 92 -3.695 -7.706 -3.497 685 HA SER 92 HA SER 92 -6.472 -8.660 -3.746 686 HB2 SER 92 1HB SER 92 -6.034 -7.106 -5.512 687 HB3 SER 92 2HB SER 92 -4.477 -7.854 -5.868 688 HG SER 92 HG SER 92 -5.717 -9.771 -6.429 689 H ASN 93 H ASN 93 -6.723 -10.773 -3.530 690 HA ASN 93 HA ASN 93 -4.505 -12.545 -4.318 691 HB2 ASN 93 1HB ASN 93 -6.334 -12.745 -1.923 692 HB3 ASN 93 2HB ASN 93 -5.349 -14.090 -2.490 693 HD21 ASN 93 1HD2 ASN 93 -4.701 -13.662 -0.125 694 HD22 ASN 93 2HD2 ASN 93 -3.313 -12.656 0.089 695 H GLY 94 H GLY 94 -5.213 -13.296 -6.245 696 HA2 GLY 94 1HA GLY 94 -6.427 -15.163 -7.213 697 HA3 GLY 94 2HA GLY 94 -7.809 -14.699 -6.231 698 H ARG 95 H ARG 95 -9.015 -14.774 -8.239 699 HA ARG 95 HA ARG 95 -8.438 -12.672 -10.173 700 HB2 ARG 95 1HB ARG 95 -10.262 -13.665 -11.482 701 HB3 ARG 95 2HB ARG 95 -9.065 -14.871 -11.027 702 HG2 ARG 95 1HG ARG 95 -10.500 -15.724 -9.301 703 HG3 ARG 95 2HG ARG 95 -11.667 -14.430 -9.581 704 HD2 ARG 95 1HD ARG 95 -12.196 -15.282 -11.749 705 HD3 ARG 95 2HD ARG 95 -10.871 -16.444 -11.674 706 HE ARG 95 HE ARG 95 -13.485 -16.727 -10.531 707 HH11 ARG 95 1HH1 ARG 95 -10.146 -17.678 -10.265 708 HH12 ARG 95 2HH1 ARG 95 -10.499 -19.161 -9.442 709 HH21 ARG 95 1HH2 ARG 95 -13.961 -18.676 -9.447 710 HH22 ARG 95 2HH2 ARG 95 -12.669 -19.728 -8.977 711 H ARG 96 H ARG 96 -10.999 -13.622 -7.914 712 HA ARG 96 HA ARG 96 -11.972 -10.849 -7.982 713 HB2 ARG 96 1HB ARG 96 -13.505 -13.369 -8.404 714 HB3 ARG 96 2HB ARG 96 -14.281 -12.077 -7.497 715 HG2 ARG 96 1HG ARG 96 -13.519 -10.606 -9.522 716 HG3 ARG 96 2HG ARG 96 -13.463 -12.160 -10.357 717 HD2 ARG 96 1HD ARG 96 -15.843 -11.013 -8.900 718 HD3 ARG 96 2HD ARG 96 -15.629 -11.066 -10.650 719 HE ARG 96 HE ARG 96 -16.379 -13.253 -8.917 720 HH11 ARG 96 1HH1 ARG 96 -15.127 -12.308 -12.025 721 HH12 ARG 96 2HH1 ARG 96 -15.583 -13.787 -12.804 722 HH21 ARG 96 1HH2 ARG 96 -16.984 -15.204 -9.931 723 HH22 ARG 96 2HH2 ARG 96 -16.640 -15.433 -11.612 724 H LYS 97 H LYS 97 -10.170 -11.900 -6.119 725 HA LYS 97 HA LYS 97 -11.778 -11.679 -3.683 726 HB2 LYS 97 1HB LYS 97 -9.755 -13.844 -4.258 727 HB3 LYS 97 2HB LYS 97 -10.289 -13.444 -2.631 728 HG2 LYS 97 1HG LYS 97 -12.665 -13.839 -3.564 729 HG3 LYS 97 2HG LYS 97 -11.830 -14.683 -4.871 730 HD2 LYS 97 1HD LYS 97 -10.686 -16.074 -3.143 731 HD3 LYS 97 2HD LYS 97 -11.705 -15.308 -1.923 732 HE2 LYS 97 1HE LYS 97 -13.637 -16.077 -3.536 733 HE3 LYS 97 2HE LYS 97 -12.429 -17.245 -4.069 734 HZ1 LYS 97 3HZ LYS 97 -12.669 -17.025 -1.205 735 HZ2 LYS 97 1HZ LYS 97 -12.611 -18.403 -2.184 736 HZ3 LYS 97 2HZ LYS 97 -14.074 -17.583 -1.965 737 H ARG 98 H ARG 98 -11.060 -9.773 -2.945 738 HA ARG 98 HA ARG 98 -8.215 -9.541 -2.326 739 HB2 ARG 98 1HB ARG 98 -8.207 -7.178 -3.143 740 HB3 ARG 98 2HB ARG 98 -8.349 -8.380 -4.420 741 HG2 ARG 98 1HG ARG 98 -10.497 -7.793 -4.928 742 HG3 ARG 98 2HG ARG 98 -10.840 -7.212 -3.298 743 HD2 ARG 98 1HD ARG 98 -10.691 -5.208 -4.364 744 HD3 ARG 98 2HD ARG 98 -8.990 -5.428 -3.956 745 HE ARG 98 HE ARG 98 -8.517 -5.799 -6.192 746 HH11 ARG 98 1HH1 ARG 98 -11.954 -5.586 -5.683 747 HH12 ARG 98 2HH1 ARG 98 -12.327 -5.451 -7.370 748 HH21 ARG 98 1HH2 ARG 98 -8.995 -5.622 -8.416 749 HH22 ARG 98 2HH2 ARG 98 -10.643 -5.472 -8.923 750 H SER 99 H SER 99 -7.923 -7.330 -1.068 751 HA SER 99 HA SER 99 -10.008 -7.325 1.004 752 HB2 SER 99 1HB SER 99 -7.055 -6.960 1.045 753 HB3 SER 99 2HB SER 99 -7.997 -6.035 2.215 754 HG SER 99 HG SER 99 -8.986 -8.102 2.779 755 HA PRO 100 HA PRO 100 -11.154 -3.156 0.271 756 HB2 PRO 100 1HB PRO 100 -11.437 -2.164 2.782 757 HB3 PRO 100 2HB PRO 100 -12.569 -3.322 2.073 758 HG2 PRO 100 1HG PRO 100 -10.306 -3.805 3.972 759 HG3 PRO 100 2HG PRO 100 -11.943 -4.486 3.986 760 HD2 PRO 100 1HD PRO 100 -9.805 -5.854 3.045 761 HD3 PRO 100 2HD PRO 100 -11.438 -6.061 2.381 762 H THR 101 H THR 101 -10.519 -0.920 0.457 763 HA THR 101 HA THR 101 -7.671 -0.598 0.544 764 HB THR 101 HB THR 101 -8.258 1.856 0.135 765 HG1 THR 101 1HG THR 101 -10.585 1.179 0.921 766 HG21 THR 101 3HG2 THR 101 -7.609 0.407 -1.686 767 HG22 THR 101 1HG2 THR 101 -8.958 1.415 -2.207 768 HG23 THR 101 2HG2 THR 101 -9.234 -0.272 -1.772 769 H GLN 102 H GLN 102 -6.429 0.443 2.037 770 HA GLN 102 HA GLN 102 -7.750 1.107 4.577 771 HB2 GLN 102 1HB GLN 102 -4.852 0.429 4.046 772 HB3 GLN 102 2HB GLN 102 -5.562 0.744 5.624 773 HG2 GLN 102 1HG GLN 102 -6.027 -1.595 3.807 774 HG3 GLN 102 2HG GLN 102 -5.387 -1.588 5.450 775 HE21 GLN 102 1HE2 GLN 102 -8.213 -1.513 3.475 776 HE22 GLN 102 2HE2 GLN 102 -9.369 -1.679 4.749 777 H SER 103 H SER 103 -7.598 3.098 5.447 778 HA SER 103 HA SER 103 -6.910 5.294 3.848 779 HB2 SER 103 1HB SER 103 -7.270 6.651 5.845 780 HB3 SER 103 2HB SER 103 -8.506 5.398 5.743 781 HG SER 103 HG SER 103 -6.200 4.771 7.160 782 H PHE 104 H PHE 104 -4.995 6.083 3.315 783 HA PHE 104 HA PHE 104 -2.792 5.934 5.240 784 HB2 PHE 104 1HB PHE 104 -2.795 4.086 3.370 785 HB3 PHE 104 2HB PHE 104 -2.210 5.398 2.353 786 HD1 PHE 104 2HD PHE 104 -1.519 3.895 5.698 787 HD2 PHE 104 1HD PHE 104 0.058 5.659 2.160 788 HE1 PHE 104 2HE PHE 104 0.765 3.514 6.530 789 HE2 PHE 104 1HE PHE 104 2.344 5.280 2.986 790 HZ PHE 104 HZ PHE 104 2.700 4.208 5.174 791 H ARG 105 H ARG 105 -1.034 7.431 4.761 792 HA ARG 105 HA ARG 105 -1.559 9.529 2.829 793 HB2 ARG 105 1HB ARG 105 -2.856 10.175 4.863 794 HB3 ARG 105 2HB ARG 105 -1.348 10.194 5.769 795 HG2 ARG 105 1HG ARG 105 -0.499 11.985 4.379 796 HG3 ARG 105 2HG ARG 105 -1.958 11.933 3.388 797 HD2 ARG 105 1HD ARG 105 -1.874 12.570 6.335 798 HD3 ARG 105 2HD ARG 105 -1.991 13.763 5.042 799 HE ARG 105 HE ARG 105 -4.088 12.062 4.613 800 HH11 ARG 105 1HH1 ARG 105 -2.999 14.031 7.269 801 HH12 ARG 105 2HH1 ARG 105 -4.593 14.304 7.891 802 HH21 ARG 105 1HH2 ARG 105 -6.192 12.415 5.421 803 HH22 ARG 105 2HH2 ARG 105 -6.409 13.384 6.839 804 H PHE 106 H PHE 106 0.258 10.745 2.311 805 HA PHE 106 HA PHE 106 2.777 9.711 3.424 806 HB2 PHE 106 1HB PHE 106 2.184 10.955 0.732 807 HB3 PHE 106 2HB PHE 106 3.798 10.525 1.289 808 HD1 PHE 106 1HD PHE 106 3.840 7.989 2.286 809 HD2 PHE 106 2HD PHE 106 1.231 9.482 -0.728 810 HE1 PHE 106 1HE PHE 106 3.528 5.704 1.429 811 HE2 PHE 106 2HE PHE 106 0.914 7.199 -1.589 812 HZ PHE 106 HZ PHE 106 2.063 5.306 -0.510 813 H LEU 107 H LEU 107 4.077 11.037 4.515 814 HA LEU 107 HA LEU 107 3.309 13.822 4.809 815 HB2 LEU 107 1HB LEU 107 5.562 12.348 6.157 816 HB3 LEU 107 2HB LEU 107 4.855 13.888 6.642 817 HG LEU 107 HG LEU 107 3.387 11.253 6.697 818 HD11 LEU 107 1HD1 LEU 107 4.607 10.788 8.500 819 HD12 LEU 107 2HD1 LEU 107 3.756 12.112 9.295 820 HD13 LEU 107 3HD1 LEU 107 5.320 12.400 8.532 821 HD21 LEU 107 3HD2 LEU 107 2.426 13.315 8.455 822 HD22 LEU 107 1HD2 LEU 107 1.571 12.431 7.189 823 HD23 LEU 107 2HD2 LEU 107 2.469 13.896 6.789 824 HA PRO 108 HA PRO 108 6.313 15.412 2.009 825 HB2 PRO 108 1HB PRO 108 6.540 17.924 3.015 826 HB3 PRO 108 2HB PRO 108 5.131 17.380 2.098 827 HG2 PRO 108 1HG PRO 108 5.487 17.614 5.061 828 HG3 PRO 108 2HG PRO 108 4.094 18.070 4.062 829 HD2 PRO 108 1HD PRO 108 4.173 15.769 5.487 830 HD3 PRO 108 2HD PRO 108 3.313 15.905 3.940 831 H VAL 109 H VAL 109 8.482 15.401 1.884 832 HA VAL 109 HA VAL 109 10.026 14.936 4.268 833 HB VAL 109 HB VAL 109 10.926 15.232 1.398 834 HG11 VAL 109 1HG1 VAL 109 13.042 14.454 2.039 835 HG12 VAL 109 2HG1 VAL 109 12.627 15.660 3.259 836 HG13 VAL 109 3HG1 VAL 109 12.470 13.941 3.626 837 HG21 VAL 109 3HG2 VAL 109 11.212 12.690 1.702 838 HG22 VAL 109 1HG2 VAL 109 10.107 12.879 3.063 839 HG23 VAL 109 2HG2 VAL 109 9.588 13.324 1.437 840 H ILE 110 H ILE 110 9.485 17.589 2.056 841 HA ILE 110 HA ILE 110 11.533 19.284 2.318 842 HB ILE 110 HB ILE 110 8.634 20.027 2.717 843 HG12 ILE 110 1HG1 ILE 110 10.229 20.446 0.213 844 HG13 ILE 110 2HG1 ILE 110 9.542 18.862 0.553 845 HG21 ILE 110 1HG2 ILE 110 10.983 21.621 2.989 846 HG22 ILE 110 2HG2 ILE 110 10.097 22.143 1.557 847 HG23 ILE 110 3HG2 ILE 110 9.293 22.105 3.126 848 HD11 ILE 110 3HD1 ILE 110 8.002 19.980 -0.828 849 HD12 ILE 110 1HD1 ILE 110 7.318 20.019 0.797 850 HD13 ILE 110 2HD1 ILE 110 8.095 21.456 0.134 851 H CYS 111 H CYS 111 9.163 18.639 4.866 852 HA CYS 111 HA CYS 111 10.926 20.056 6.756 853 HB2 CYS 111 1HB CYS 111 8.493 20.903 6.285 854 HB3 CYS 111 2HB CYS 111 8.025 19.565 7.328 855 HG CYS 111 HG CYS 111 9.451 20.483 9.543 856 H LYS 112 H LYS 112 8.286 17.672 6.994 857 HA LYS 112 HA LYS 112 9.378 16.361 9.235 858 HB2 LYS 112 1HB LYS 112 7.192 15.806 7.296 859 HB3 LYS 112 2HB LYS 112 7.781 14.454 8.255 860 HG2 LYS 112 1HG LYS 112 7.297 15.677 10.303 861 HG3 LYS 112 2HG LYS 112 6.738 17.057 9.355 862 HD2 LYS 112 1HD LYS 112 5.148 15.265 8.277 863 HD3 LYS 112 2HD LYS 112 5.457 14.397 9.782 864 HE2 LYS 112 1HE LYS 112 4.759 16.440 11.024 865 HE3 LYS 112 2HE LYS 112 4.313 17.171 9.482 866 HZ1 LYS 112 3HZ LYS 112 2.939 14.963 9.269 867 HZ2 LYS 112 1HZ LYS 112 2.324 16.297 10.108 868 HZ3 LYS 112 2HZ LYS 112 3.010 15.006 10.958 869 H GLU 113 H GLU 113 11.236 15.285 9.260 870 HA GLU 113 HA GLU 113 11.785 13.396 7.077 871 HB2 GLU 113 1HB GLU 113 14.101 14.009 7.003 872 HB3 GLU 113 2HB GLU 113 13.149 15.474 6.813 873 HG2 GLU 113 1HG GLU 113 14.905 16.026 8.268 874 HG3 GLU 113 2HG GLU 113 13.472 15.864 9.281 875 H GLU 114 H GLU 114 13.395 11.726 7.691 876 HA GLU 114 HA GLU 114 13.858 11.288 10.505 877 HB2 GLU 114 1HB GLU 114 11.460 10.448 9.800 878 HB3 GLU 114 2HB GLU 114 12.360 9.087 9.146 879 HG2 GLU 114 1HG GLU 114 12.441 10.031 12.003 880 HG3 GLU 114 2HG GLU 114 11.535 8.645 11.399 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -15.419 -20.301 15.062 2 HA2 GLY 1 1HA GLY 1 -16.802 -22.044 13.650 3 HA3 GLY 1 2HA GLY 1 -17.587 -20.574 14.208 4 H SER 2 H SER 2 -17.437 -22.436 11.637 5 HA SER 2 HA SER 2 -18.329 -20.434 9.839 6 HB2 SER 2 1HB SER 2 -15.806 -20.099 9.809 7 HB3 SER 2 2HB SER 2 -15.696 -21.689 9.054 8 HG SER 2 HG SER 2 -16.707 -19.292 8.034 9 H SER 3 H SER 3 -18.744 -21.355 7.633 10 HA SER 3 HA SER 3 -19.082 -24.276 7.720 11 HB2 SER 3 1HB SER 3 -21.306 -24.058 6.727 12 HB3 SER 3 2HB SER 3 -21.234 -23.177 8.253 13 HG SER 3 HG SER 3 -22.234 -21.959 6.585 14 H GLY 4 H GLY 4 -17.779 -25.027 6.176 15 HA2 GLY 4 1HA GLY 4 -17.586 -25.475 3.804 16 HA3 GLY 4 2HA GLY 4 -17.968 -23.785 3.507 17 H SER 5 H SER 5 -16.290 -22.656 2.821 18 HA SER 5 HA SER 5 -13.740 -22.841 4.173 19 HB2 SER 5 1HB SER 5 -12.440 -23.340 2.168 20 HB3 SER 5 2HB SER 5 -13.592 -24.639 2.474 21 HG SER 5 HG SER 5 -14.967 -23.246 0.956 22 H SER 6 H SER 6 -12.309 -21.107 3.646 23 HA SER 6 HA SER 6 -13.079 -19.070 1.787 24 HB2 SER 6 1HB SER 6 -13.468 -17.288 3.446 25 HB3 SER 6 2HB SER 6 -14.674 -18.568 3.582 26 HG SER 6 HG SER 6 -13.190 -17.638 5.497 27 H GLY 7 H GLY 7 -11.205 -18.380 1.012 28 HA2 GLY 7 1HA GLY 7 -8.931 -18.127 2.883 29 HA3 GLY 7 2HA GLY 7 -8.742 -18.744 1.248 30 H LEU 8 H LEU 8 -10.346 -15.913 2.714 31 HA LEU 8 HA LEU 8 -9.237 -14.259 0.569 32 HB2 LEU 8 1HB LEU 8 -11.346 -13.656 2.637 33 HB3 LEU 8 2HB LEU 8 -10.823 -12.551 1.368 34 HG LEU 8 HG LEU 8 -12.158 -15.213 0.885 35 HD11 LEU 8 1HD1 LEU 8 -13.330 -12.908 1.864 36 HD12 LEU 8 2HD1 LEU 8 -14.152 -14.242 1.055 37 HD13 LEU 8 3HD1 LEU 8 -13.631 -12.835 0.127 38 HD21 LEU 8 3HD2 LEU 8 -10.733 -14.544 -0.950 39 HD22 LEU 8 1HD2 LEU 8 -11.453 -12.933 -0.959 40 HD23 LEU 8 2HD2 LEU 8 -12.425 -14.336 -1.404 41 HA PRO 9 HA PRO 9 -6.184 -12.467 3.185 42 HB2 PRO 9 1HB PRO 9 -5.819 -10.117 1.876 43 HB3 PRO 9 2HB PRO 9 -5.222 -11.663 1.260 44 HG2 PRO 9 1HG PRO 9 -7.691 -10.148 0.504 45 HG3 PRO 9 2HG PRO 9 -6.528 -10.985 -0.541 46 HD2 PRO 9 1HD PRO 9 -8.910 -12.071 0.151 47 HD3 PRO 9 2HD PRO 9 -7.459 -13.054 -0.131 48 H GLN 10 H GLN 10 -6.260 -11.377 5.053 49 HA GLN 10 HA GLN 10 -8.286 -9.260 5.354 50 HB2 GLN 10 1HB GLN 10 -9.025 -11.210 6.579 51 HB3 GLN 10 2HB GLN 10 -7.457 -11.360 7.361 52 HG2 GLN 10 1HG GLN 10 -8.975 -10.420 8.928 53 HG3 GLN 10 2HG GLN 10 -7.852 -9.153 8.435 54 HE21 GLN 10 1HE2 GLN 10 -9.392 -7.621 9.167 55 HE22 GLN 10 2HE2 GLN 10 -10.763 -7.214 8.198 56 H VAL 11 H VAL 11 -7.675 -7.402 6.359 57 HA VAL 11 HA VAL 11 -4.878 -7.252 7.284 58 HB VAL 11 HB VAL 11 -6.459 -5.129 5.826 59 HG11 VAL 11 1HG1 VAL 11 -5.155 -3.699 6.946 60 HG12 VAL 11 2HG1 VAL 11 -4.092 -4.983 7.525 61 HG13 VAL 11 3HG1 VAL 11 -3.849 -4.292 5.920 62 HG21 VAL 11 3HG2 VAL 11 -4.903 -7.273 4.866 63 HG22 VAL 11 1HG2 VAL 11 -5.573 -5.922 3.951 64 HG23 VAL 11 2HG2 VAL 11 -3.949 -5.808 4.630 65 H GLU 12 H GLU 12 -5.079 -7.269 9.455 66 HA GLU 12 HA GLU 12 -7.225 -5.954 10.824 67 HB2 GLU 12 1HB GLU 12 -5.877 -8.031 11.569 68 HB3 GLU 12 2HB GLU 12 -4.677 -6.874 12.125 69 HG2 GLU 12 1HG GLU 12 -5.888 -7.193 14.033 70 HG3 GLU 12 2HG GLU 12 -6.711 -5.792 13.350 71 H ALA 13 H ALA 13 -3.710 -5.390 10.652 72 HA ALA 13 HA ALA 13 -4.184 -2.526 10.906 73 HB1 ALA 13 3HB ALA 13 -2.050 -3.581 12.671 74 HB2 ALA 13 1HB ALA 13 -3.100 -2.177 12.871 75 HB3 ALA 13 2HB ALA 13 -3.720 -3.796 13.197 76 H TYR 14 H TYR 14 -1.936 -1.368 10.823 77 HA TYR 14 HA TYR 14 0.103 -2.763 9.340 78 HB2 TYR 14 1HB TYR 14 -0.039 -1.175 7.388 79 HB3 TYR 14 2HB TYR 14 -1.351 -2.344 7.489 80 HD1 TYR 14 1HD TYR 14 -0.520 1.152 8.507 81 HD2 TYR 14 2HD TYR 14 -3.535 -1.595 7.294 82 HE1 TYR 14 1HE TYR 14 -2.153 2.989 8.426 83 HE2 TYR 14 2HE TYR 14 -5.176 0.235 7.209 84 HH TYR 14 HH TYR 14 -4.453 3.409 8.426 85 H SER 15 H SER 15 2.038 -1.574 9.143 86 HA SER 15 HA SER 15 2.155 1.121 10.207 87 HB2 SER 15 1HB SER 15 3.147 -1.272 11.693 88 HB3 SER 15 2HB SER 15 4.105 0.207 11.761 89 HG SER 15 HG SER 15 1.773 -0.390 13.003 90 HA PRO 16 HA PRO 16 3.969 2.339 11.079 91 HB2 PRO 16 1HB PRO 16 4.759 4.620 9.838 92 HB3 PRO 16 2HB PRO 16 5.887 3.529 10.652 93 HG2 PRO 16 1HG PRO 16 5.249 3.763 7.737 94 HG3 PRO 16 2HG PRO 16 6.825 3.569 8.525 95 HD2 PRO 16 1HD PRO 16 5.507 1.503 7.374 96 HD3 PRO 16 2HD PRO 16 6.551 1.296 8.795 97 H SER 17 H SER 17 2.243 3.713 11.419 98 HA SER 17 HA SER 17 -0.025 3.485 9.901 99 HB2 SER 17 1HB SER 17 -0.832 5.548 11.075 100 HB3 SER 17 2HB SER 17 -0.134 4.342 12.156 101 HG SER 17 HG SER 17 0.524 6.722 12.273 102 H ALA 18 H ALA 18 2.634 5.703 9.476 103 HA ALA 18 HA ALA 18 1.518 6.508 6.903 104 HB1 ALA 18 3HB ALA 18 2.693 8.739 8.431 105 HB2 ALA 18 1HB ALA 18 1.331 8.719 7.310 106 HB3 ALA 18 2HB ALA 18 1.113 8.176 8.974 107 H CYS 19 H CYS 19 3.170 7.804 5.634 108 HA CYS 19 HA CYS 19 5.933 7.430 6.387 109 HB2 CYS 19 1HB CYS 19 4.944 5.263 5.245 110 HB3 CYS 19 2HB CYS 19 5.189 6.191 3.771 111 HG CYS 19 HG CYS 19 7.875 6.319 3.880 112 H SER 20 H SER 20 7.383 8.134 4.462 113 HA SER 20 HA SER 20 6.373 10.707 3.594 114 HB2 SER 20 1HB SER 20 8.665 11.159 2.905 115 HB3 SER 20 2HB SER 20 8.662 10.476 4.530 116 HG SER 20 HG SER 20 8.857 8.403 3.051 117 H VAL 21 H VAL 21 6.081 11.372 1.494 118 HA VAL 21 HA VAL 21 5.001 9.738 -0.375 119 HB VAL 21 HB VAL 21 5.684 11.412 -2.113 120 HG11 VAL 21 1HG1 VAL 21 3.660 11.643 -0.689 121 HG12 VAL 21 2HG1 VAL 21 4.603 12.644 0.417 122 HG13 VAL 21 3HG1 VAL 21 4.320 13.183 -1.238 123 HG21 VAL 21 3HG2 VAL 21 6.880 13.408 -1.418 124 HG22 VAL 21 1HG2 VAL 21 7.060 12.756 0.211 125 HG23 VAL 21 2HG2 VAL 21 7.874 11.977 -1.146 126 H ARG 22 H ARG 22 8.376 10.104 0.334 127 HA ARG 22 HA ARG 22 9.399 9.004 -2.076 128 HB2 ARG 22 1HB ARG 22 10.657 9.079 0.673 129 HB3 ARG 22 2HB ARG 22 11.500 8.762 -0.837 130 HG2 ARG 22 1HG ARG 22 10.496 11.103 -1.500 131 HG3 ARG 22 2HG ARG 22 10.446 11.316 0.251 132 HD2 ARG 22 1HD ARG 22 12.915 10.413 -1.210 133 HD3 ARG 22 2HD ARG 22 12.543 12.114 -0.934 134 HE ARG 22 HE ARG 22 12.378 11.078 1.541 135 HH11 ARG 22 1HH1 ARG 22 14.799 10.837 -0.949 136 HH12 ARG 22 2HH1 ARG 22 16.115 10.664 0.165 137 HH21 ARG 22 1HH2 ARG 22 14.102 10.851 3.018 138 HH22 ARG 22 2HH2 ARG 22 15.717 10.671 2.421 139 H GLY 23 H GLY 23 8.541 7.624 1.069 140 HA2 GLY 23 1HA GLY 23 7.899 5.456 1.566 141 HA3 GLY 23 2HA GLY 23 8.113 5.043 -0.129 142 H GLY 24 H GLY 24 9.496 3.412 -0.302 143 HA2 GLY 24 1HA GLY 24 11.322 2.062 0.049 144 HA3 GLY 24 2HA GLY 24 12.196 3.569 0.279 145 H GLU 25 H GLU 25 9.599 2.244 2.283 146 HA GLU 25 HA GLU 25 11.552 1.927 4.466 147 HB2 GLU 25 1HB GLU 25 8.836 3.219 4.512 148 HB3 GLU 25 2HB GLU 25 9.567 2.577 5.976 149 HG2 GLU 25 1HG GLU 25 11.084 4.497 4.268 150 HG3 GLU 25 2HG GLU 25 9.849 5.081 5.382 151 H GLU 26 H GLU 26 10.581 0.577 6.303 152 HA GLU 26 HA GLU 26 9.667 -1.904 5.144 153 HB2 GLU 26 1HB GLU 26 11.385 -1.491 7.099 154 HB3 GLU 26 2HB GLU 26 9.935 -1.493 8.093 155 HG2 GLU 26 1HG GLU 26 9.399 -3.715 7.457 156 HG3 GLU 26 2HG GLU 26 10.638 -3.720 6.203 157 H LEU 27 H LEU 27 7.581 -2.214 4.753 158 HA LEU 27 HA LEU 27 5.605 -1.053 6.599 159 HB2 LEU 27 1HB LEU 27 5.462 -0.322 4.252 160 HB3 LEU 27 2HB LEU 27 5.235 -1.999 3.760 161 HG LEU 27 HG LEU 27 3.121 -2.025 5.089 162 HD11 LEU 27 1HD1 LEU 27 3.174 -0.370 6.658 163 HD12 LEU 27 2HD1 LEU 27 2.257 0.446 5.393 164 HD13 LEU 27 3HD1 LEU 27 3.978 0.777 5.586 165 HD21 LEU 27 3HD2 LEU 27 3.014 0.182 3.066 166 HD22 LEU 27 1HD2 LEU 27 1.849 -1.106 3.375 167 HD23 LEU 27 2HD2 LEU 27 3.381 -1.474 2.583 168 H VAL 28 H VAL 28 5.303 -2.588 8.130 169 HA VAL 28 HA VAL 28 4.915 -5.369 7.326 170 HB VAL 28 HB VAL 28 5.052 -4.145 10.085 171 HG11 VAL 28 1HG1 VAL 28 5.533 -6.713 10.539 172 HG12 VAL 28 2HG1 VAL 28 3.893 -6.059 10.527 173 HG13 VAL 28 3HG1 VAL 28 4.521 -6.898 9.107 174 HG21 VAL 28 3HG2 VAL 28 7.260 -4.195 9.851 175 HG22 VAL 28 1HG2 VAL 28 7.182 -5.934 9.566 176 HG23 VAL 28 2HG2 VAL 28 7.088 -4.813 8.208 177 H LEU 29 H LEU 29 2.942 -6.048 6.847 178 HA LEU 29 HA LEU 29 0.628 -4.649 7.980 179 HB2 LEU 29 1HB LEU 29 0.772 -6.619 5.703 180 HB3 LEU 29 2HB LEU 29 -0.666 -5.742 6.223 181 HG LEU 29 HG LEU 29 1.768 -4.262 5.294 182 HD11 LEU 29 1HD1 LEU 29 1.554 -4.967 3.206 183 HD12 LEU 29 2HD1 LEU 29 -0.133 -4.453 3.197 184 HD13 LEU 29 3HD1 LEU 29 0.288 -6.088 3.708 185 HD21 LEU 29 3HD2 LEU 29 0.390 -2.623 5.959 186 HD22 LEU 29 1HD2 LEU 29 -1.027 -3.673 5.945 187 HD23 LEU 29 2HD2 LEU 29 -0.457 -2.942 4.445 188 H THR 30 H THR 30 -0.774 -5.609 9.336 189 HA THR 30 HA THR 30 -0.179 -8.372 10.140 190 HB THR 30 HB THR 30 -1.762 -6.279 11.643 191 HG1 THR 30 1HG THR 30 0.125 -5.593 12.284 192 HG21 THR 30 3HG2 THR 30 -2.503 -8.346 12.438 193 HG22 THR 30 1HG2 THR 30 -1.209 -7.920 13.557 194 HG23 THR 30 2HG2 THR 30 -0.912 -9.089 12.270 195 H GLY 31 H GLY 31 -1.722 -9.952 10.129 196 HA2 GLY 31 1HA GLY 31 -4.466 -9.689 10.060 197 HA3 GLY 31 2HA GLY 31 -3.951 -9.598 8.383 198 H SER 32 H SER 32 -4.928 -11.519 7.779 199 HA SER 32 HA SER 32 -3.406 -13.896 8.384 200 HB2 SER 32 1HB SER 32 -5.216 -13.672 10.192 201 HB3 SER 32 2HB SER 32 -6.374 -14.017 8.907 202 HG SER 32 HG SER 32 -5.856 -15.960 9.799 203 H ASN 33 H ASN 33 -4.353 -15.819 7.142 204 HA ASN 33 HA ASN 33 -4.836 -16.740 5.119 205 HB2 ASN 33 1HB ASN 33 -6.905 -14.575 5.346 206 HB3 ASN 33 2HB ASN 33 -6.796 -15.544 3.879 207 HD21 ASN 33 1HD2 ASN 33 -8.715 -16.591 4.118 208 HD22 ASN 33 2HD2 ASN 33 -9.031 -17.729 5.379 209 H PHE 34 H PHE 34 -2.586 -15.302 5.008 210 HA PHE 34 HA PHE 34 -2.750 -13.494 2.720 211 HB2 PHE 34 1HB PHE 34 -0.574 -14.154 4.693 212 HB3 PHE 34 2HB PHE 34 -0.236 -13.254 3.219 213 HD1 PHE 34 1HD PHE 34 -2.541 -11.510 2.963 214 HD2 PHE 34 2HD PHE 34 -0.377 -12.666 6.442 215 HE1 PHE 34 1HE PHE 34 -3.226 -9.427 4.078 216 HE2 PHE 34 2HE PHE 34 -1.060 -10.584 7.562 217 HZ PHE 34 HZ PHE 34 -2.487 -8.962 6.380 218 H LEU 35 H LEU 35 -0.859 -13.726 1.117 219 HA LEU 35 HA LEU 35 -0.449 -16.569 0.470 220 HB2 LEU 35 1HB LEU 35 -1.476 -14.347 -1.220 221 HB3 LEU 35 2HB LEU 35 -0.463 -15.574 -1.977 222 HG LEU 35 HG LEU 35 -2.813 -16.459 -0.372 223 HD11 LEU 35 1HD1 LEU 35 -3.003 -15.411 -3.192 224 HD12 LEU 35 2HD1 LEU 35 -3.690 -14.643 -1.762 225 HD13 LEU 35 3HD1 LEU 35 -4.285 -16.217 -2.289 226 HD21 LEU 35 3HD2 LEU 35 -2.836 -18.093 -2.360 227 HD22 LEU 35 1HD2 LEU 35 -1.538 -18.235 -1.174 228 HD23 LEU 35 2HD2 LEU 35 -1.234 -17.447 -2.722 229 HA PRO 36 HA PRO 36 3.825 -15.632 0.088 230 HB2 PRO 36 1HB PRO 36 4.575 -17.469 -1.764 231 HB3 PRO 36 2HB PRO 36 4.172 -17.895 -0.097 232 HG2 PRO 36 1HG PRO 36 2.483 -18.086 -2.561 233 HG3 PRO 36 2HG PRO 36 2.665 -19.251 -1.236 234 HD2 PRO 36 1HD PRO 36 0.547 -17.574 -1.422 235 HD3 PRO 36 2HD PRO 36 1.209 -18.107 0.137 236 H ASP 37 H ASP 37 1.698 -15.407 -2.614 237 HA ASP 37 HA ASP 37 3.658 -13.699 -3.999 238 HB2 ASP 37 1HB ASP 37 1.827 -15.799 -5.115 239 HB3 ASP 37 2HB ASP 37 2.318 -14.433 -6.114 240 H SER 38 H SER 38 1.567 -13.022 -2.062 241 HA SER 38 HA SER 38 -0.752 -12.011 -3.204 242 HB2 SER 38 1HB SER 38 0.836 -11.338 -0.765 243 HB3 SER 38 2HB SER 38 -0.451 -10.236 -1.255 244 HG SER 38 HG SER 38 -1.794 -12.217 -1.330 245 H LYS 39 H LYS 39 -1.335 -9.740 -3.595 246 HA LYS 39 HA LYS 39 0.896 -8.211 -4.764 247 HB2 LYS 39 1HB LYS 39 -0.705 -9.337 -6.409 248 HB3 LYS 39 2HB LYS 39 -1.917 -8.193 -5.846 249 HG2 LYS 39 1HG LYS 39 -0.928 -6.422 -6.875 250 HG3 LYS 39 2HG LYS 39 0.694 -7.107 -6.739 251 HD2 LYS 39 1HD LYS 39 0.064 -7.119 -9.052 252 HD3 LYS 39 2HD LYS 39 0.054 -8.786 -8.470 253 HE2 LYS 39 1HE LYS 39 -2.479 -7.238 -8.325 254 HE3 LYS 39 2HE LYS 39 -1.934 -7.784 -9.910 255 HZ1 LYS 39 3HZ LYS 39 -3.161 -9.275 -7.841 256 HZ2 LYS 39 1HZ LYS 39 -1.653 -9.946 -8.215 257 HZ3 LYS 39 2HZ LYS 39 -2.813 -9.744 -9.429 258 H VAL 40 H VAL 40 0.845 -5.978 -4.552 259 HA VAL 40 HA VAL 40 -1.321 -4.849 -2.916 260 HB VAL 40 HB VAL 40 1.628 -4.372 -2.456 261 HG11 VAL 40 1HG1 VAL 40 1.062 -2.823 -0.795 262 HG12 VAL 40 2HG1 VAL 40 -0.002 -2.421 -2.144 263 HG13 VAL 40 3HG1 VAL 40 -0.625 -3.333 -0.768 264 HG21 VAL 40 3HG2 VAL 40 1.183 -6.440 -1.483 265 HG22 VAL 40 1HG2 VAL 40 0.953 -5.308 -0.150 266 HG23 VAL 40 2HG2 VAL 40 -0.445 -5.971 -0.997 267 H VAL 41 H VAL 41 -2.256 -3.401 -4.205 268 HA VAL 41 HA VAL 41 -0.532 -1.659 -5.843 269 HB VAL 41 HB VAL 41 -2.328 -1.369 -7.388 270 HG11 VAL 41 1HG1 VAL 41 -1.074 -3.368 -7.782 271 HG12 VAL 41 2HG1 VAL 41 -2.022 -4.259 -6.590 272 HG13 VAL 41 3HG1 VAL 41 -2.774 -3.722 -8.093 273 HG21 VAL 41 3HG2 VAL 41 -4.506 -2.618 -7.011 274 HG22 VAL 41 1HG2 VAL 41 -3.991 -2.804 -5.334 275 HG23 VAL 41 2HG2 VAL 41 -4.234 -1.192 -6.009 276 H PHE 42 H PHE 42 -1.007 0.563 -5.954 277 HA PHE 42 HA PHE 42 -2.603 1.555 -3.687 278 HB2 PHE 42 1HB PHE 42 -0.080 2.563 -4.965 279 HB3 PHE 42 2HB PHE 42 -1.121 3.659 -4.063 280 HD1 PHE 42 2HD PHE 42 0.397 0.272 -3.659 281 HD2 PHE 42 1HD PHE 42 -0.605 3.996 -1.859 282 HE1 PHE 42 2HE PHE 42 1.452 -0.462 -1.562 283 HE2 PHE 42 1HE PHE 42 0.450 3.269 0.241 284 HZ PHE 42 HZ PHE 42 1.479 1.037 0.392 285 H ILE 43 H ILE 43 -3.974 3.316 -3.981 286 HA ILE 43 HA ILE 43 -4.490 4.069 -6.784 287 HB ILE 43 HB ILE 43 -6.880 4.230 -6.258 288 HG12 ILE 43 1HG1 ILE 43 -6.311 2.814 -3.661 289 HG13 ILE 43 2HG1 ILE 43 -6.401 4.570 -3.750 290 HG21 ILE 43 1HG2 ILE 43 -6.682 1.517 -5.423 291 HG22 ILE 43 2HG2 ILE 43 -7.019 2.156 -7.031 292 HG23 ILE 43 3HG2 ILE 43 -5.353 1.864 -6.529 293 HD11 ILE 43 3HD1 ILE 43 -8.590 2.633 -4.464 294 HD12 ILE 43 1HD1 ILE 43 -8.509 3.648 -3.024 295 HD13 ILE 43 2HD1 ILE 43 -8.688 4.387 -4.615 296 H GLU 44 H GLU 44 -5.526 6.165 -7.071 297 HA GLU 44 HA GLU 44 -5.237 8.015 -4.821 298 HB2 GLU 44 1HB GLU 44 -3.168 8.420 -5.807 299 HB3 GLU 44 2HB GLU 44 -3.779 8.154 -7.434 300 HG2 GLU 44 1HG GLU 44 -4.853 10.457 -5.906 301 HG3 GLU 44 2HG GLU 44 -3.208 10.564 -6.528 302 H ARG 45 H ARG 45 -6.645 9.729 -4.843 303 HA ARG 45 HA ARG 45 -8.719 9.626 -6.919 304 HB2 ARG 45 1HB ARG 45 -8.745 10.672 -4.088 305 HB3 ARG 45 2HB ARG 45 -10.055 10.959 -5.226 306 HG2 ARG 45 1HG ARG 45 -10.839 9.122 -4.118 307 HG3 ARG 45 2HG ARG 45 -10.007 8.355 -5.472 308 HD2 ARG 45 1HD ARG 45 -9.215 7.127 -3.692 309 HD3 ARG 45 2HD ARG 45 -7.964 8.359 -3.853 310 HE ARG 45 HE ARG 45 -9.958 8.158 -1.731 311 HH11 ARG 45 1HH1 ARG 45 -7.305 9.884 -3.182 312 HH12 ARG 45 2HH1 ARG 45 -6.967 10.820 -1.763 313 HH21 ARG 45 1HH2 ARG 45 -9.524 9.385 0.143 314 HH22 ARG 45 2HH2 ARG 45 -8.229 10.534 0.127 315 H GLY 46 H GLY 46 -8.801 11.187 -8.390 316 HA2 GLY 46 1HA GLY 46 -7.107 13.522 -8.113 317 HA3 GLY 46 2HA GLY 46 -8.044 13.073 -9.529 318 HA PRO 47 HA PRO 47 -10.062 16.550 -6.983 319 HB2 PRO 47 1HB PRO 47 -9.476 18.629 -8.628 320 HB3 PRO 47 2HB PRO 47 -8.433 18.141 -7.287 321 HG2 PRO 47 1HG PRO 47 -8.183 17.517 -10.204 322 HG3 PRO 47 2HG PRO 47 -6.923 17.991 -9.049 323 HD2 PRO 47 1HD PRO 47 -7.314 15.420 -9.806 324 HD3 PRO 47 2HD PRO 47 -6.738 15.862 -8.185 325 H ASP 48 H ASP 48 -10.256 15.007 -9.919 326 HA ASP 48 HA ASP 48 -12.505 16.562 -10.933 327 HB2 ASP 48 1HB ASP 48 -11.492 14.004 -12.145 328 HB3 ASP 48 2HB ASP 48 -12.301 15.355 -12.934 329 H GLY 49 H GLY 49 -11.806 13.465 -9.432 330 HA2 GLY 49 1HA GLY 49 -13.774 12.777 -7.972 331 HA3 GLY 49 2HA GLY 49 -14.690 12.841 -9.470 332 H LYS 50 H LYS 50 -12.402 11.764 -11.016 333 HA LYS 50 HA LYS 50 -12.872 8.950 -10.378 334 HB2 LYS 50 1HB LYS 50 -11.688 10.260 -12.833 335 HB3 LYS 50 2HB LYS 50 -11.931 8.529 -12.639 336 HG2 LYS 50 1HG LYS 50 -14.415 9.308 -12.152 337 HG3 LYS 50 2HG LYS 50 -13.905 10.681 -13.138 338 HD2 LYS 50 1HD LYS 50 -13.201 9.123 -14.908 339 HD3 LYS 50 2HD LYS 50 -13.760 7.769 -13.923 340 HE2 LYS 50 1HE LYS 50 -15.486 8.226 -15.477 341 HE3 LYS 50 2HE LYS 50 -16.033 8.859 -13.925 342 HZ1 LYS 50 3HZ LYS 50 -16.305 10.303 -16.011 343 HZ2 LYS 50 1HZ LYS 50 -14.649 10.609 -15.852 344 HZ3 LYS 50 2HZ LYS 50 -15.710 11.031 -14.604 345 H LEU 51 H LEU 51 -11.274 7.517 -9.877 346 HA LEU 51 HA LEU 51 -8.640 8.679 -9.296 347 HB2 LEU 51 1HB LEU 51 -8.386 6.565 -7.905 348 HB3 LEU 51 2HB LEU 51 -9.523 7.783 -7.332 349 HG LEU 51 HG LEU 51 -11.360 6.401 -8.349 350 HD11 LEU 51 1HD1 LEU 51 -10.629 4.882 -9.831 351 HD12 LEU 51 2HD1 LEU 51 -10.376 3.878 -8.404 352 HD13 LEU 51 3HD1 LEU 51 -9.029 4.780 -9.097 353 HD21 LEU 51 3HD2 LEU 51 -11.256 4.663 -6.540 354 HD22 LEU 51 1HD2 LEU 51 -11.055 6.328 -5.993 355 HD23 LEU 51 2HD2 LEU 51 -9.649 5.273 -6.142 356 H GLN 52 H GLN 52 -6.828 7.943 -10.250 357 HA GLN 52 HA GLN 52 -6.792 5.392 -11.621 358 HB2 GLN 52 1HB GLN 52 -5.893 6.579 -13.726 359 HB3 GLN 52 2HB GLN 52 -7.630 6.570 -13.454 360 HG2 GLN 52 1HG GLN 52 -7.629 8.821 -12.747 361 HG3 GLN 52 2HG GLN 52 -5.872 8.854 -12.619 362 HE21 GLN 52 1HE2 GLN 52 -5.367 10.406 -14.043 363 HE22 GLN 52 2HE2 GLN 52 -5.755 10.362 -15.726 364 H TRP 53 H TRP 53 -5.042 4.600 -10.625 365 HA TRP 53 HA TRP 53 -2.492 5.896 -11.101 366 HB2 TRP 53 1HB TRP 53 -3.446 6.753 -8.878 367 HB3 TRP 53 2HB TRP 53 -3.175 5.123 -8.270 368 HD1 TRP 53 HD TRP 53 -0.663 6.784 -10.635 369 HE1 TRP 53 1HE TRP 53 1.536 7.172 -9.355 370 HE3 TRP 53 3HE TRP 53 -2.214 5.476 -5.943 371 HZ2 TRP 53 2HZ TRP 53 2.487 6.952 -6.707 372 HZ3 TRP 53 3HZ TRP 53 -0.597 5.592 -4.091 373 HH2 TRP 53 HH TRP 53 1.704 6.315 -4.468 374 H GLU 54 H GLU 54 -1.280 4.337 -11.933 375 HA GLU 54 HA GLU 54 -1.662 1.583 -10.975 376 HB2 GLU 54 1HB GLU 54 -2.065 1.778 -13.338 377 HB3 GLU 54 2HB GLU 54 -0.555 2.647 -13.574 378 HG2 GLU 54 1HG GLU 54 0.651 0.595 -12.823 379 HG3 GLU 54 2HG GLU 54 -0.898 -0.246 -12.833 380 H GLU 55 H GLU 55 -0.279 1.306 -9.313 381 HA GLU 55 HA GLU 55 2.573 1.562 -9.904 382 HB2 GLU 55 1HB GLU 55 1.093 2.992 -7.752 383 HB3 GLU 55 2HB GLU 55 2.687 2.360 -7.364 384 HG2 GLU 55 1HG GLU 55 2.047 4.251 -9.616 385 HG3 GLU 55 2HG GLU 55 2.782 4.688 -8.075 386 H GLU 56 H GLU 56 3.705 -0.158 -9.249 387 HA GLU 56 HA GLU 56 2.346 -2.102 -7.512 388 HB2 GLU 56 1HB GLU 56 2.928 -2.899 -9.770 389 HB3 GLU 56 2HB GLU 56 4.619 -2.530 -9.459 390 HG2 GLU 56 1HG GLU 56 4.815 -4.245 -7.871 391 HG3 GLU 56 2HG GLU 56 3.068 -4.437 -7.743 392 H ALA 57 H ALA 57 3.409 -3.035 -5.772 393 HA ALA 57 HA ALA 57 5.883 -1.664 -4.937 394 HB1 ALA 57 3HB ALA 57 3.710 -1.259 -3.626 395 HB2 ALA 57 1HB ALA 57 3.945 -2.895 -3.011 396 HB3 ALA 57 2HB ALA 57 5.169 -1.659 -2.720 397 H THR 58 H THR 58 7.508 -2.872 -3.951 398 HA THR 58 HA THR 58 7.601 -5.643 -4.750 399 HB THR 58 HB THR 58 9.669 -4.118 -3.161 400 HG1 THR 58 1HG THR 58 10.627 -3.849 -5.311 401 HG21 THR 58 3HG2 THR 58 10.029 -6.468 -5.014 402 HG22 THR 58 1HG2 THR 58 9.806 -6.635 -3.273 403 HG23 THR 58 2HG2 THR 58 11.210 -5.774 -3.904 404 H VAL 59 H VAL 59 6.970 -7.291 -3.535 405 HA VAL 59 HA VAL 59 6.705 -6.890 -0.633 406 HB VAL 59 HB VAL 59 5.393 -8.950 -2.412 407 HG11 VAL 59 1HG1 VAL 59 5.548 -10.028 -0.371 408 HG12 VAL 59 2HG1 VAL 59 5.394 -8.529 0.549 409 HG13 VAL 59 3HG1 VAL 59 3.983 -9.224 -0.250 410 HG21 VAL 59 3HG2 VAL 59 3.595 -7.609 -2.578 411 HG22 VAL 59 1HG2 VAL 59 3.753 -7.024 -0.922 412 HG23 VAL 59 2HG2 VAL 59 4.741 -6.321 -2.203 413 H ASN 60 H ASN 60 7.849 -8.085 0.773 414 HA ASN 60 HA ASN 60 9.882 -9.862 -0.291 415 HB2 ASN 60 1HB ASN 60 10.310 -8.106 1.498 416 HB3 ASN 60 2HB ASN 60 9.425 -9.150 2.607 417 HD21 ASN 60 1HD2 ASN 60 12.357 -8.247 2.091 418 HD22 ASN 60 2HD2 ASN 60 13.243 -9.715 2.306 419 H ARG 61 H ARG 61 9.629 -11.983 -0.434 420 HA ARG 61 HA ARG 61 7.342 -13.286 0.719 421 HB2 ARG 61 1HB ARG 61 9.533 -14.038 -1.143 422 HB3 ARG 61 2HB ARG 61 8.749 -15.342 -0.262 423 HG2 ARG 61 1HG ARG 61 7.481 -15.272 -2.163 424 HG3 ARG 61 2HG ARG 61 6.557 -14.200 -1.109 425 HD2 ARG 61 1HD ARG 61 6.665 -12.899 -2.982 426 HD3 ARG 61 2HD ARG 61 8.138 -12.372 -2.168 427 HE ARG 61 HE ARG 61 7.962 -14.068 -4.538 428 HH11 ARG 61 1HH1 ARG 61 9.919 -12.494 -2.128 429 HH12 ARG 61 2HH1 ARG 61 11.388 -12.645 -3.034 430 HH21 ARG 61 1HH2 ARG 61 9.889 -14.273 -5.741 431 HH22 ARG 61 2HH2 ARG 61 11.370 -13.656 -5.090 432 H LEU 62 H LEU 62 10.854 -13.433 1.198 433 HA LEU 62 HA LEU 62 10.926 -15.471 3.096 434 HB2 LEU 62 1HB LEU 62 12.689 -13.173 2.419 435 HB3 LEU 62 2HB LEU 62 12.998 -14.052 3.914 436 HG LEU 62 HG LEU 62 12.971 -16.142 2.329 437 HD11 LEU 62 1HD1 LEU 62 13.173 -15.827 0.120 438 HD12 LEU 62 2HD1 LEU 62 14.203 -14.409 0.314 439 HD13 LEU 62 3HD1 LEU 62 12.452 -14.251 0.445 440 HD21 LEU 62 3HD2 LEU 62 15.434 -15.722 1.896 441 HD22 LEU 62 1HD2 LEU 62 14.903 -15.624 3.575 442 HD23 LEU 62 2HD2 LEU 62 15.197 -14.147 2.655 443 H GLN 63 H GLN 63 10.632 -11.961 3.564 444 HA GLN 63 HA GLN 63 10.457 -12.136 6.404 445 HB2 GLN 63 1HB GLN 63 9.763 -9.927 4.468 446 HB3 GLN 63 2HB GLN 63 9.663 -9.751 6.214 447 HG2 GLN 63 1HG GLN 63 12.179 -10.502 4.749 448 HG3 GLN 63 2HG GLN 63 11.742 -8.849 5.179 449 HE21 GLN 63 1HE2 GLN 63 11.744 -8.235 7.349 450 HE22 GLN 63 2HE2 GLN 63 12.566 -9.155 8.558 451 H SER 64 H SER 64 8.058 -11.626 3.832 452 HA SER 64 HA SER 64 5.805 -11.405 5.471 453 HB2 SER 64 1HB SER 64 4.497 -11.873 3.485 454 HB3 SER 64 2HB SER 64 5.869 -10.861 3.036 455 HG SER 64 HG SER 64 6.290 -13.593 2.897 456 H ASN 65 H ASN 65 4.381 -12.855 6.332 457 HA ASN 65 HA ASN 65 4.992 -15.713 5.997 458 HB2 ASN 65 1HB ASN 65 5.892 -14.822 8.160 459 HB3 ASN 65 2HB ASN 65 4.242 -14.417 8.624 460 HD21 ASN 65 1HD2 ASN 65 3.157 -15.885 9.718 461 HD22 ASN 65 2HD2 ASN 65 3.536 -17.568 9.810 462 H GLU 66 H GLU 66 3.133 -17.065 6.996 463 HA GLU 66 HA GLU 66 0.855 -16.779 5.522 464 HB2 GLU 66 1HB GLU 66 1.674 -18.674 7.168 465 HB3 GLU 66 2HB GLU 66 0.580 -17.874 8.288 466 HG2 GLU 66 1HG GLU 66 -1.292 -18.403 7.050 467 HG3 GLU 66 2HG GLU 66 -0.372 -18.627 5.563 468 H VAL 67 H VAL 67 1.545 -15.371 8.677 469 HA VAL 67 HA VAL 67 -0.949 -13.814 8.456 470 HB VAL 67 HB VAL 67 -0.914 -13.605 10.918 471 HG11 VAL 67 1HG1 VAL 67 -1.815 -15.695 9.414 472 HG12 VAL 67 2HG1 VAL 67 -0.856 -16.519 10.645 473 HG13 VAL 67 3HG1 VAL 67 -2.174 -15.448 11.123 474 HG21 VAL 67 3HG2 VAL 67 1.703 -14.601 10.634 475 HG22 VAL 67 1HG2 VAL 67 0.865 -14.167 12.123 476 HG23 VAL 67 2HG2 VAL 67 0.793 -15.823 11.522 477 H THR 68 H THR 68 1.643 -13.149 7.320 478 HA THR 68 HA THR 68 1.886 -10.487 8.424 479 HB THR 68 HB THR 68 4.252 -12.369 8.435 480 HG1 THR 68 1HG THR 68 2.542 -11.352 10.368 481 HG21 THR 68 3HG2 THR 68 4.053 -9.397 8.538 482 HG22 THR 68 1HG2 THR 68 5.271 -10.417 7.774 483 HG23 THR 68 2HG2 THR 68 5.277 -10.197 9.524 484 H LEU 69 H LEU 69 2.745 -9.007 6.980 485 HA LEU 69 HA LEU 69 3.725 -10.012 4.411 486 HB2 LEU 69 1HB LEU 69 1.266 -8.420 4.889 487 HB3 LEU 69 2HB LEU 69 2.241 -8.016 3.477 488 HG LEU 69 HG LEU 69 1.147 -10.771 4.027 489 HD11 LEU 69 1HD1 LEU 69 0.045 -8.741 2.100 490 HD12 LEU 69 2HD1 LEU 69 -0.618 -9.008 3.712 491 HD13 LEU 69 3HD1 LEU 69 -0.630 -10.314 2.527 492 HD21 LEU 69 3HD2 LEU 69 3.130 -10.650 2.572 493 HD22 LEU 69 1HD2 LEU 69 2.269 -9.527 1.519 494 HD23 LEU 69 2HD2 LEU 69 1.690 -11.182 1.703 495 H THR 70 H THR 70 5.710 -9.169 4.364 496 HA THR 70 HA THR 70 6.085 -6.378 5.210 497 HB THR 70 HB THR 70 8.166 -8.535 4.800 498 HG1 THR 70 1HG THR 70 7.877 -8.973 6.853 499 HG21 THR 70 3HG2 THR 70 8.347 -5.654 5.111 500 HG22 THR 70 1HG2 THR 70 9.597 -6.821 4.681 501 HG23 THR 70 2HG2 THR 70 9.223 -6.514 6.377 502 H LEU 71 H LEU 71 6.246 -4.896 3.671 503 HA LEU 71 HA LEU 71 7.645 -5.533 1.189 504 HB2 LEU 71 1HB LEU 71 5.937 -4.827 -0.241 505 HB3 LEU 71 2HB LEU 71 5.147 -5.888 0.924 506 HG LEU 71 HG LEU 71 5.116 -2.953 1.431 507 HD11 LEU 71 1HD1 LEU 71 4.287 -3.963 -1.028 508 HD12 LEU 71 2HD1 LEU 71 3.873 -2.401 -0.323 509 HD13 LEU 71 3HD1 LEU 71 2.809 -3.787 -0.081 510 HD21 LEU 71 3HD2 LEU 71 2.999 -5.064 1.793 511 HD22 LEU 71 1HD2 LEU 71 3.047 -3.448 2.500 512 HD23 LEU 71 2HD2 LEU 71 4.210 -4.671 3.015 513 H THR 72 H THR 72 7.872 -3.465 -0.172 514 HA THR 72 HA THR 72 8.628 -1.295 1.658 515 HB THR 72 HB THR 72 9.544 -1.795 -1.181 516 HG1 THR 72 1HG THR 72 10.948 -2.142 1.277 517 HG21 THR 72 3HG2 THR 72 11.366 -0.150 0.108 518 HG22 THR 72 1HG2 THR 72 9.797 0.477 0.612 519 HG23 THR 72 2HG2 THR 72 10.185 0.347 -1.104 520 H VAL 73 H VAL 73 7.637 0.621 1.590 521 HA VAL 73 HA VAL 73 5.282 1.034 0.125 522 HB VAL 73 HB VAL 73 7.052 3.109 1.427 523 HG11 VAL 73 1HG1 VAL 73 4.992 3.576 -0.294 524 HG12 VAL 73 2HG1 VAL 73 4.166 3.581 1.265 525 HG13 VAL 73 3HG1 VAL 73 5.516 4.680 0.977 526 HG21 VAL 73 3HG2 VAL 73 6.461 1.637 3.138 527 HG22 VAL 73 1HG2 VAL 73 5.228 2.895 3.228 528 HG23 VAL 73 2HG2 VAL 73 4.857 1.349 2.466 529 HA PRO 74 HA PRO 74 6.932 2.201 -3.819 530 HB2 PRO 74 1HB PRO 74 4.600 3.074 -4.900 531 HB3 PRO 74 2HB PRO 74 4.983 1.361 -4.699 532 HG2 PRO 74 1HG PRO 74 3.289 3.137 -2.985 533 HG3 PRO 74 2HG PRO 74 2.986 1.471 -3.513 534 HD2 PRO 74 1HD PRO 74 3.920 2.069 -1.043 535 HD3 PRO 74 2HD PRO 74 4.359 0.574 -1.894 536 H GLU 75 H GLU 75 6.742 4.168 -5.305 537 HA GLU 75 HA GLU 75 7.028 6.564 -3.649 538 HB2 GLU 75 1HB GLU 75 7.975 5.838 -6.413 539 HB3 GLU 75 2HB GLU 75 8.014 7.497 -5.832 540 HG2 GLU 75 1HG GLU 75 10.158 6.656 -5.438 541 HG3 GLU 75 2HG GLU 75 9.357 6.627 -3.868 542 H TYR 76 H TYR 76 6.000 8.516 -4.149 543 HA TYR 76 HA TYR 76 3.417 8.186 -5.431 544 HB2 TYR 76 1HB TYR 76 3.686 9.352 -3.226 545 HB3 TYR 76 2HB TYR 76 4.539 10.641 -4.069 546 HD1 TYR 76 1HD TYR 76 1.474 8.743 -5.029 547 HD2 TYR 76 2HD TYR 76 3.159 12.505 -3.975 548 HE1 TYR 76 1HE TYR 76 -0.675 9.836 -5.520 549 HE2 TYR 76 2HE TYR 76 1.015 13.608 -4.462 550 HH TYR 76 HH TYR 76 -1.193 13.253 -4.848 551 H SER 77 H SER 77 2.604 9.950 -6.864 552 HA SER 77 HA SER 77 4.492 10.359 -9.009 553 HB2 SER 77 1HB SER 77 2.611 11.095 -10.306 554 HB3 SER 77 2HB SER 77 2.082 9.703 -9.361 555 HG SER 77 HG SER 77 0.622 11.540 -9.351 556 H ASN 78 H ASN 78 2.492 12.452 -6.938 557 HA ASN 78 HA ASN 78 4.133 14.745 -7.756 558 HB2 ASN 78 1HB ASN 78 1.342 14.432 -6.772 559 HB3 ASN 78 2HB ASN 78 2.194 15.907 -6.325 560 HD21 ASN 78 1HD2 ASN 78 0.269 16.649 -7.673 561 HD22 ASN 78 2HD2 ASN 78 0.572 16.877 -9.359 562 H LYS 79 H LYS 79 5.933 14.212 -6.445 563 HA LYS 79 HA LYS 79 5.576 14.063 -3.570 564 HB2 LYS 79 1HB LYS 79 8.100 14.076 -5.237 565 HB3 LYS 79 2HB LYS 79 8.019 13.760 -3.509 566 HG2 LYS 79 1HG LYS 79 6.565 11.796 -4.011 567 HG3 LYS 79 2HG LYS 79 6.878 12.076 -5.726 568 HD2 LYS 79 1HD LYS 79 9.393 12.047 -4.892 569 HD3 LYS 79 2HD LYS 79 8.695 11.076 -3.593 570 HE2 LYS 79 1HE LYS 79 7.997 9.403 -5.058 571 HE3 LYS 79 2HE LYS 79 8.099 10.460 -6.465 572 HZ1 LYS 79 3HZ LYS 79 10.203 8.962 -5.109 573 HZ2 LYS 79 1HZ LYS 79 10.624 10.478 -5.731 574 HZ3 LYS 79 2HZ LYS 79 9.996 9.289 -6.756 575 H ARG 80 H ARG 80 7.097 16.248 -5.920 576 HA ARG 80 HA ARG 80 8.305 18.124 -4.449 577 HB2 ARG 80 1HB ARG 80 7.564 19.828 -6.056 578 HB3 ARG 80 2HB ARG 80 8.021 18.334 -6.863 579 HG2 ARG 80 1HG ARG 80 5.603 17.732 -6.961 580 HG3 ARG 80 2HG ARG 80 5.236 19.340 -6.333 581 HD2 ARG 80 1HD ARG 80 5.038 19.646 -8.617 582 HD3 ARG 80 2HD ARG 80 6.695 20.168 -8.311 583 HE ARG 80 HE ARG 80 6.599 17.408 -8.967 584 HH11 ARG 80 1HH1 ARG 80 6.401 20.592 -10.362 585 HH12 ARG 80 2HH1 ARG 80 6.976 20.088 -11.917 586 HH21 ARG 80 1HH2 ARG 80 7.357 16.733 -11.010 587 HH22 ARG 80 2HH2 ARG 80 7.519 17.893 -12.285 588 H VAL 81 H VAL 81 4.809 17.715 -4.673 589 HA VAL 81 HA VAL 81 3.737 19.902 -3.558 590 HB VAL 81 HB VAL 81 2.085 18.487 -2.388 591 HG11 VAL 81 1HG1 VAL 81 1.271 18.585 -4.472 592 HG12 VAL 81 2HG1 VAL 81 2.838 18.230 -5.202 593 HG13 VAL 81 3HG1 VAL 81 1.822 16.916 -4.608 594 HG21 VAL 81 3HG2 VAL 81 3.951 16.246 -3.157 595 HG22 VAL 81 1HG2 VAL 81 3.520 16.757 -1.525 596 HG23 VAL 81 2HG2 VAL 81 2.304 16.021 -2.569 597 H SER 82 H SER 82 3.877 21.055 -1.739 598 HA SER 82 HA SER 82 5.813 20.343 0.249 599 HB2 SER 82 1HB SER 82 5.494 22.500 1.128 600 HB3 SER 82 2HB SER 82 5.201 22.706 -0.599 601 HG SER 82 HG SER 82 3.155 23.103 -0.214 602 H ARG 83 H ARG 83 2.393 20.013 -0.101 603 HA ARG 83 HA ARG 83 2.087 19.343 2.739 604 HB2 ARG 83 1HB ARG 83 0.215 20.208 0.586 605 HB3 ARG 83 2HB ARG 83 -0.418 19.184 1.868 606 HG2 ARG 83 1HG ARG 83 0.204 20.789 3.538 607 HG3 ARG 83 2HG ARG 83 1.032 21.779 2.334 608 HD2 ARG 83 1HD ARG 83 -1.872 21.126 2.025 609 HD3 ARG 83 2HD ARG 83 -1.362 22.429 3.098 610 HE ARG 83 HE ARG 83 -1.324 22.432 0.218 611 HH11 ARG 83 1HH1 ARG 83 -0.008 23.841 3.117 612 HH12 ARG 83 2HH1 ARG 83 0.455 25.321 2.343 613 HH21 ARG 83 1HH2 ARG 83 -0.719 24.375 -0.812 614 HH22 ARG 83 2HH2 ARG 83 0.050 25.623 0.108 615 HA PRO 84 HA PRO 84 1.833 15.021 2.025 616 HB2 PRO 84 1HB PRO 84 -0.052 14.276 3.831 617 HB3 PRO 84 2HB PRO 84 1.579 14.773 4.295 618 HG2 PRO 84 1HG PRO 84 -0.962 16.356 4.317 619 HG3 PRO 84 2HG PRO 84 0.325 16.289 5.535 620 HD2 PRO 84 1HD PRO 84 0.111 18.316 3.752 621 HD3 PRO 84 2HD PRO 84 1.676 17.750 4.371 622 H VAL 85 H VAL 85 0.354 13.237 1.438 623 HA VAL 85 HA VAL 85 -2.131 14.181 0.172 624 HB VAL 85 HB VAL 85 -0.117 12.290 -1.054 625 HG11 VAL 85 1HG1 VAL 85 -1.918 12.868 -3.010 626 HG12 VAL 85 2HG1 VAL 85 -1.939 11.406 -2.023 627 HG13 VAL 85 3HG1 VAL 85 -2.958 12.779 -1.589 628 HG21 VAL 85 3HG2 VAL 85 -0.232 14.132 -2.872 629 HG22 VAL 85 1HG2 VAL 85 -0.860 15.143 -1.571 630 HG23 VAL 85 2HG2 VAL 85 0.739 14.414 -1.428 631 H GLN 86 H GLN 86 -3.878 12.947 0.526 632 HA GLN 86 HA GLN 86 -3.572 10.601 2.211 633 HB2 GLN 86 1HB GLN 86 -5.264 12.114 2.924 634 HB3 GLN 86 2HB GLN 86 -5.962 12.203 1.313 635 HG2 GLN 86 1HG GLN 86 -7.419 10.866 2.571 636 HG3 GLN 86 2HG GLN 86 -6.510 9.752 1.551 637 HE21 GLN 86 1HE2 GLN 86 -6.452 7.943 2.717 638 HE22 GLN 86 2HE2 GLN 86 -5.841 7.815 4.328 639 H VAL 87 H VAL 87 -3.004 8.828 1.088 640 HA VAL 87 HA VAL 87 -4.575 8.162 -1.316 641 HB VAL 87 HB VAL 87 -2.732 6.803 -2.080 642 HG11 VAL 87 1HG1 VAL 87 -2.766 9.341 -2.404 643 HG12 VAL 87 2HG1 VAL 87 -1.480 9.384 -1.196 644 HG13 VAL 87 3HG1 VAL 87 -1.246 8.500 -2.704 645 HG21 VAL 87 3HG2 VAL 87 -0.837 6.288 -0.877 646 HG22 VAL 87 1HG2 VAL 87 -0.985 7.703 0.166 647 HG23 VAL 87 2HG2 VAL 87 -2.052 6.318 0.401 648 H TYR 88 H TYR 88 -4.651 5.708 -1.690 649 HA TYR 88 HA TYR 88 -5.026 4.277 0.850 650 HB2 TYR 88 1HB TYR 88 -7.007 4.667 -1.366 651 HB3 TYR 88 2HB TYR 88 -7.056 3.197 -0.398 652 HD1 TYR 88 2HD TYR 88 -7.011 6.910 -0.034 653 HD2 TYR 88 1HD TYR 88 -8.268 3.180 1.581 654 HE1 TYR 88 2HE TYR 88 -8.299 8.098 1.693 655 HE2 TYR 88 1HE TYR 88 -9.560 4.357 3.311 656 HH TYR 88 HH TYR 88 -9.439 7.874 3.619 657 H PHE 89 H PHE 89 -5.032 1.940 0.637 658 HA PHE 89 HA PHE 89 -4.070 0.812 -1.854 659 HB2 PHE 89 1HB PHE 89 -2.044 -0.150 -0.862 660 HB3 PHE 89 2HB PHE 89 -2.000 1.608 -0.801 661 HD1 PHE 89 2HD PHE 89 -2.359 -1.461 1.169 662 HD2 PHE 89 1HD PHE 89 -2.056 2.783 1.286 663 HE1 PHE 89 2HE PHE 89 -1.947 -1.561 3.593 664 HE2 PHE 89 1HE PHE 89 -1.642 2.690 3.710 665 HZ PHE 89 HZ PHE 89 -1.588 0.516 4.866 666 H TYR 90 H TYR 90 -3.793 -1.588 -1.666 667 HA TYR 90 HA TYR 90 -4.962 -2.948 0.560 668 HB2 TYR 90 1HB TYR 90 -6.963 -3.775 -0.508 669 HB3 TYR 90 2HB TYR 90 -6.987 -2.015 -0.556 670 HD1 TYR 90 2HD TYR 90 -6.435 -0.845 -2.704 671 HD2 TYR 90 1HD TYR 90 -7.008 -5.056 -2.501 672 HE1 TYR 90 2HE TYR 90 -6.768 -0.911 -5.140 673 HE2 TYR 90 1HE TYR 90 -7.341 -5.134 -4.936 674 HH TYR 90 HH TYR 90 -8.155 -2.790 -6.757 675 H VAL 91 H VAL 91 -5.207 -5.319 0.097 676 HA VAL 91 HA VAL 91 -3.026 -6.163 -1.672 677 HB VAL 91 HB VAL 91 -4.410 -7.743 0.499 678 HG11 VAL 91 1HG1 VAL 91 -3.189 -8.891 -1.489 679 HG12 VAL 91 2HG1 VAL 91 -1.724 -8.368 -0.656 680 HG13 VAL 91 3HG1 VAL 91 -2.871 -9.433 0.158 681 HG21 VAL 91 3HG2 VAL 91 -2.086 -5.892 0.533 682 HG22 VAL 91 1HG2 VAL 91 -3.307 -6.200 1.767 683 HG23 VAL 91 2HG2 VAL 91 -1.996 -7.352 1.517 684 H SER 92 H SER 92 -3.504 -7.028 -3.571 685 HA SER 92 HA SER 92 -6.175 -8.198 -3.959 686 HB2 SER 92 1HB SER 92 -5.851 -7.763 -6.354 687 HB3 SER 92 2HB SER 92 -5.650 -6.282 -5.418 688 HG SER 92 HG SER 92 -3.697 -7.861 -6.690 689 H ASN 93 H ASN 93 -6.263 -10.334 -3.987 690 HA ASN 93 HA ASN 93 -3.958 -11.826 -5.057 691 HB2 ASN 93 1HB ASN 93 -5.783 -12.729 -2.819 692 HB3 ASN 93 2HB ASN 93 -4.371 -13.584 -3.432 693 HD21 ASN 93 1HD2 ASN 93 -4.774 -12.851 -0.749 694 HD22 ASN 93 2HD2 ASN 93 -3.546 -11.716 -0.313 695 H GLY 94 H GLY 94 -4.662 -12.351 -7.058 696 HA2 GLY 94 1HA GLY 94 -5.756 -14.075 -8.325 697 HA3 GLY 94 2HA GLY 94 -7.100 -13.996 -7.195 698 H ARG 95 H ARG 95 -8.844 -13.315 -8.241 699 HA ARG 95 HA ARG 95 -8.546 -11.073 -10.130 700 HB2 ARG 95 1HB ARG 95 -10.607 -11.936 -11.224 701 HB3 ARG 95 2HB ARG 95 -9.253 -13.055 -11.304 702 HG2 ARG 95 1HG ARG 95 -10.251 -14.212 -9.296 703 HG3 ARG 95 2HG ARG 95 -11.685 -13.216 -9.550 704 HD2 ARG 95 1HD ARG 95 -10.470 -15.082 -11.585 705 HD3 ARG 95 2HD ARG 95 -11.880 -15.442 -10.590 706 HE ARG 95 HE ARG 95 -11.774 -13.719 -12.908 707 HH11 ARG 95 1HH1 ARG 95 -13.535 -14.646 -10.051 708 HH12 ARG 95 2HH1 ARG 95 -15.053 -14.047 -10.634 709 HH21 ARG 95 1HH2 ARG 95 -13.766 -12.926 -13.686 710 HH22 ARG 95 2HH2 ARG 95 -15.183 -13.069 -12.702 711 H ARG 96 H ARG 96 -10.833 -12.576 -7.851 712 HA ARG 96 HA ARG 96 -11.997 -9.910 -7.391 713 HB2 ARG 96 1HB ARG 96 -13.599 -11.540 -8.266 714 HB3 ARG 96 2HB ARG 96 -13.218 -12.640 -6.948 715 HG2 ARG 96 1HG ARG 96 -15.222 -11.638 -6.312 716 HG3 ARG 96 2HG ARG 96 -13.991 -10.767 -5.396 717 HD2 ARG 96 1HD ARG 96 -14.005 -9.025 -7.188 718 HD3 ARG 96 2HD ARG 96 -15.376 -9.863 -7.914 719 HE ARG 96 HE ARG 96 -16.734 -9.040 -6.248 720 HH11 ARG 96 1HH1 ARG 96 -13.396 -8.456 -5.450 721 HH12 ARG 96 2HH1 ARG 96 -13.762 -7.404 -4.123 722 HH21 ARG 96 1HH2 ARG 96 -17.228 -7.657 -4.503 723 HH22 ARG 96 2HH2 ARG 96 -15.942 -6.951 -3.584 724 H LYS 97 H LYS 97 -10.669 -12.778 -5.870 725 HA LYS 97 HA LYS 97 -11.220 -12.081 -3.190 726 HB2 LYS 97 1HB LYS 97 -8.940 -13.756 -4.258 727 HB3 LYS 97 2HB LYS 97 -9.533 -13.746 -2.602 728 HG2 LYS 97 1HG LYS 97 -11.589 -14.750 -3.245 729 HG3 LYS 97 2HG LYS 97 -11.225 -14.537 -4.959 730 HD2 LYS 97 1HD LYS 97 -9.446 -16.169 -3.176 731 HD3 LYS 97 2HD LYS 97 -10.885 -16.867 -3.923 732 HE2 LYS 97 1HE LYS 97 -10.053 -16.450 -6.108 733 HE3 LYS 97 2HE LYS 97 -8.748 -15.439 -5.490 734 HZ1 LYS 97 3HZ LYS 97 -8.812 -18.253 -5.857 735 HZ2 LYS 97 1HZ LYS 97 -8.448 -17.876 -4.248 736 HZ3 LYS 97 2HZ LYS 97 -7.496 -17.252 -5.499 737 H ARG 98 H ARG 98 -10.638 -10.109 -2.479 738 HA ARG 98 HA ARG 98 -7.812 -9.548 -2.213 739 HB2 ARG 98 1HB ARG 98 -8.107 -7.211 -3.124 740 HB3 ARG 98 2HB ARG 98 -8.122 -8.498 -4.323 741 HG2 ARG 98 1HG ARG 98 -10.370 -8.256 -4.756 742 HG3 ARG 98 2HG ARG 98 -10.699 -7.516 -3.188 743 HD2 ARG 98 1HD ARG 98 -9.140 -5.620 -4.096 744 HD3 ARG 98 2HD ARG 98 -9.567 -6.298 -5.667 745 HE ARG 98 HE ARG 98 -11.817 -5.737 -3.951 746 HH11 ARG 98 1HH1 ARG 98 -9.664 -4.506 -6.395 747 HH12 ARG 98 2HH1 ARG 98 -10.768 -3.285 -6.937 748 HH21 ARG 98 1HH2 ARG 98 -13.278 -4.134 -4.656 749 HH22 ARG 98 2HH2 ARG 98 -12.823 -3.074 -5.946 750 H SER 99 H SER 99 -7.624 -7.248 -1.096 751 HA SER 99 HA SER 99 -9.567 -7.286 1.110 752 HB2 SER 99 1HB SER 99 -7.883 -6.691 2.567 753 HB3 SER 99 2HB SER 99 -6.944 -7.588 1.373 754 HG SER 99 HG SER 99 -6.879 -4.931 2.011 755 HA PRO 100 HA PRO 100 -11.078 -3.281 0.144 756 HB2 PRO 100 1HB PRO 100 -11.539 -2.268 2.621 757 HB3 PRO 100 2HB PRO 100 -12.539 -3.535 1.900 758 HG2 PRO 100 1HG PRO 100 -10.314 -3.779 3.887 759 HG3 PRO 100 2HG PRO 100 -11.884 -4.601 3.860 760 HD2 PRO 100 1HD PRO 100 -9.601 -5.794 3.026 761 HD3 PRO 100 2HD PRO 100 -11.185 -6.157 2.310 762 H THR 101 H THR 101 -10.671 -0.978 0.358 763 HA THR 101 HA THR 101 -7.893 -0.371 0.381 764 HB THR 101 HB THR 101 -8.584 1.964 0.023 765 HG1 THR 101 1HG THR 101 -11.093 1.987 -0.290 766 HG21 THR 101 3HG2 THR 101 -10.490 0.580 -1.739 767 HG22 THR 101 1HG2 THR 101 -8.867 -0.109 -1.710 768 HG23 THR 101 2HG2 THR 101 -9.099 1.586 -2.142 769 H GLN 102 H GLN 102 -6.750 1.035 1.771 770 HA GLN 102 HA GLN 102 -7.939 1.328 4.451 771 HB2 GLN 102 1HB GLN 102 -5.081 0.675 3.719 772 HB3 GLN 102 2HB GLN 102 -5.622 1.066 5.346 773 HG2 GLN 102 1HG GLN 102 -6.300 -1.336 3.684 774 HG3 GLN 102 2HG GLN 102 -5.496 -1.274 5.252 775 HE21 GLN 102 1HE2 GLN 102 -8.362 -1.847 3.695 776 HE22 GLN 102 2HE2 GLN 102 -9.441 -1.703 5.037 777 H SER 103 H SER 103 -7.385 3.179 5.645 778 HA SER 103 HA SER 103 -6.959 5.517 4.046 779 HB2 SER 103 1HB SER 103 -7.252 6.752 6.140 780 HB3 SER 103 2HB SER 103 -8.498 5.515 5.978 781 HG SER 103 HG SER 103 -6.102 5.190 7.462 782 H PHE 104 H PHE 104 -5.059 6.312 3.471 783 HA PHE 104 HA PHE 104 -2.804 6.127 5.332 784 HB2 PHE 104 1HB PHE 104 -2.869 4.347 3.372 785 HB3 PHE 104 2HB PHE 104 -2.253 5.700 2.428 786 HD1 PHE 104 2HD PHE 104 -1.607 4.149 5.765 787 HD2 PHE 104 1HD PHE 104 0.018 5.784 2.187 788 HE1 PHE 104 2HE PHE 104 0.664 3.680 6.586 789 HE2 PHE 104 1HE PHE 104 2.292 5.317 3.002 790 HZ PHE 104 HZ PHE 104 2.617 4.265 5.205 791 H ARG 105 H ARG 105 -1.013 7.606 4.731 792 HA ARG 105 HA ARG 105 -1.650 9.773 2.924 793 HB2 ARG 105 1HB ARG 105 -2.849 10.466 4.933 794 HB3 ARG 105 2HB ARG 105 -1.394 10.252 5.898 795 HG2 ARG 105 1HG ARG 105 -0.334 12.000 4.370 796 HG3 ARG 105 2HG ARG 105 -1.981 12.348 3.839 797 HD2 ARG 105 1HD ARG 105 -1.381 12.258 6.759 798 HD3 ARG 105 2HD ARG 105 -0.894 13.674 5.827 799 HE ARG 105 HE ARG 105 -3.463 13.409 5.122 800 HH11 ARG 105 1HH1 ARG 105 -1.901 13.376 8.233 801 HH12 ARG 105 2HH1 ARG 105 -3.269 14.030 9.072 802 HH21 ARG 105 1HH2 ARG 105 -5.270 14.271 6.215 803 HH22 ARG 105 2HH2 ARG 105 -5.185 14.538 7.923 804 H PHE 106 H PHE 106 0.149 10.710 2.120 805 HA PHE 106 HA PHE 106 2.715 9.740 3.147 806 HB2 PHE 106 1HB PHE 106 2.005 11.054 0.516 807 HB3 PHE 106 2HB PHE 106 3.621 10.523 0.968 808 HD1 PHE 106 1HD PHE 106 3.418 7.949 2.035 809 HD2 PHE 106 2HD PHE 106 1.048 9.686 -1.044 810 HE1 PHE 106 1HE PHE 106 2.930 5.706 1.150 811 HE2 PHE 106 2HE PHE 106 0.555 7.446 -1.933 812 HZ PHE 106 HZ PHE 106 1.496 5.452 -0.836 813 H LEU 107 H LEU 107 3.991 11.025 4.294 814 HA LEU 107 HA LEU 107 3.339 13.845 4.540 815 HB2 LEU 107 1HB LEU 107 5.520 12.321 5.946 816 HB3 LEU 107 2HB LEU 107 4.821 13.871 6.411 817 HG LEU 107 HG LEU 107 3.199 11.341 6.377 818 HD11 LEU 107 1HD1 LEU 107 4.503 10.580 8.023 819 HD12 LEU 107 2HD1 LEU 107 3.752 11.831 9.012 820 HD13 LEU 107 3HD1 LEU 107 5.305 12.136 8.234 821 HD21 LEU 107 3HD2 LEU 107 2.444 13.938 6.620 822 HD22 LEU 107 1HD2 LEU 107 2.685 13.489 8.309 823 HD23 LEU 107 2HD2 LEU 107 1.564 12.570 7.305 824 HA PRO 108 HA PRO 108 6.455 15.246 1.759 825 HB2 PRO 108 1HB PRO 108 6.744 17.775 2.701 826 HB3 PRO 108 2HB PRO 108 5.339 17.254 1.764 827 HG2 PRO 108 1HG PRO 108 5.632 17.558 4.727 828 HG3 PRO 108 2HG PRO 108 4.280 18.033 3.682 829 HD2 PRO 108 1HD PRO 108 4.246 15.772 5.171 830 HD3 PRO 108 2HD PRO 108 3.428 15.893 3.600 831 H VAL 109 H VAL 109 8.659 15.503 1.655 832 HA VAL 109 HA VAL 109 10.140 14.862 4.056 833 HB VAL 109 HB VAL 109 11.106 15.315 1.229 834 HG11 VAL 109 1HG1 VAL 109 12.503 14.646 3.768 835 HG12 VAL 109 2HG1 VAL 109 13.062 13.888 2.276 836 HG13 VAL 109 3HG1 VAL 109 13.033 15.646 2.415 837 HG21 VAL 109 3HG2 VAL 109 10.551 12.779 2.767 838 HG22 VAL 109 1HG2 VAL 109 9.655 13.387 1.375 839 HG23 VAL 109 2HG2 VAL 109 11.325 12.853 1.184 840 H ILE 110 H ILE 110 9.699 17.605 1.910 841 HA ILE 110 HA ILE 110 11.694 19.307 2.343 842 HB ILE 110 HB ILE 110 8.782 20.025 2.696 843 HG12 ILE 110 1HG1 ILE 110 10.402 20.541 0.231 844 HG13 ILE 110 2HG1 ILE 110 9.758 18.927 0.511 845 HG21 ILE 110 1HG2 ILE 110 9.345 22.287 2.383 846 HG22 ILE 110 2HG2 ILE 110 10.493 21.684 3.577 847 HG23 ILE 110 3HG2 ILE 110 10.994 21.895 1.899 848 HD11 ILE 110 3HD1 ILE 110 7.654 19.550 0.050 849 HD12 ILE 110 1HD1 ILE 110 7.834 21.123 0.827 850 HD13 ILE 110 2HD1 ILE 110 8.450 20.870 -0.806 851 H CYS 111 H CYS 111 9.196 18.608 4.764 852 HA CYS 111 HA CYS 111 10.876 19.951 6.776 853 HB2 CYS 111 1HB CYS 111 7.892 19.457 6.763 854 HB3 CYS 111 2HB CYS 111 8.781 20.135 8.122 855 HG CYS 111 HG CYS 111 7.572 21.648 5.458 856 H LYS 112 H LYS 112 11.018 18.977 8.879 857 HA LYS 112 HA LYS 112 10.424 16.096 8.925 858 HB2 LYS 112 1HB LYS 112 12.768 16.249 8.441 859 HB3 LYS 112 2HB LYS 112 13.006 17.459 9.696 860 HG2 LYS 112 1HG LYS 112 13.832 15.545 10.678 861 HG3 LYS 112 2HG LYS 112 12.183 15.609 11.304 862 HD2 LYS 112 1HD LYS 112 11.509 14.070 9.450 863 HD3 LYS 112 2HD LYS 112 13.218 13.907 9.039 864 HE2 LYS 112 1HE LYS 112 12.685 12.050 10.402 865 HE3 LYS 112 2HE LYS 112 13.593 13.165 11.422 866 HZ1 LYS 112 3HZ LYS 112 10.740 12.475 11.508 867 HZ2 LYS 112 1HZ LYS 112 11.226 14.008 12.033 868 HZ3 LYS 112 2HZ LYS 112 11.848 12.623 12.777 869 H GLU 113 H GLU 113 8.754 16.149 10.348 870 HA GLU 113 HA GLU 113 8.729 17.809 12.670 871 HB2 GLU 113 1HB GLU 113 6.710 16.891 11.405 872 HB3 GLU 113 2HB GLU 113 7.019 15.368 12.227 873 HG2 GLU 113 1HG GLU 113 6.569 16.301 14.342 874 HG3 GLU 113 2HG GLU 113 6.622 17.946 13.710 875 H GLU 114 H GLU 114 8.454 16.898 14.889 876 HA GLU 114 HA GLU 114 10.648 15.096 15.439 877 HB2 GLU 114 1HB GLU 114 8.781 16.672 17.208 878 HB3 GLU 114 2HB GLU 114 9.988 15.566 17.848 879 HG2 GLU 114 1HG GLU 114 11.679 16.920 16.488 880 HG3 GLU 114 2HG GLU 114 10.401 18.127 16.356 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -24.249 -19.992 -0.570 2 HA2 GLY 1 1HA GLY 1 -22.523 -18.327 -1.813 3 HA3 GLY 1 2HA GLY 1 -22.651 -17.608 -0.214 4 H SER 2 H SER 2 -20.284 -18.106 -0.292 5 HA SER 2 HA SER 2 -19.185 -20.635 -0.336 6 HB2 SER 2 1HB SER 2 -17.378 -19.680 1.118 7 HB3 SER 2 2HB SER 2 -17.767 -18.684 -0.285 8 HG SER 2 HG SER 2 -18.078 -18.156 2.397 9 H SER 3 H SER 3 -19.077 -22.329 1.021 10 HA SER 3 HA SER 3 -20.129 -22.006 3.748 11 HB2 SER 3 1HB SER 3 -20.858 -24.189 1.784 12 HB3 SER 3 2HB SER 3 -21.255 -24.229 3.502 13 HG SER 3 HG SER 3 -22.220 -22.503 1.494 14 H GLY 4 H GLY 4 -18.068 -22.084 4.633 15 HA2 GLY 4 1HA GLY 4 -16.959 -24.139 5.757 16 HA3 GLY 4 2HA GLY 4 -16.478 -24.501 4.106 17 H SER 5 H SER 5 -14.387 -24.370 5.529 18 HA SER 5 HA SER 5 -13.279 -22.018 6.413 19 HB2 SER 5 1HB SER 5 -12.142 -24.525 5.262 20 HB3 SER 5 2HB SER 5 -11.062 -23.147 5.471 21 HG SER 5 HG SER 5 -12.707 -24.220 7.519 22 H SER 6 H SER 6 -13.110 -20.125 5.427 23 HA SER 6 HA SER 6 -12.810 -20.027 2.520 24 HB2 SER 6 1HB SER 6 -13.543 -17.761 2.638 25 HB3 SER 6 2HB SER 6 -14.577 -18.668 3.742 26 HG SER 6 HG SER 6 -13.401 -17.878 5.463 27 H GLY 7 H GLY 7 -11.171 -18.835 1.498 28 HA2 GLY 7 1HA GLY 7 -8.826 -18.303 3.217 29 HA3 GLY 7 2HA GLY 7 -8.707 -18.961 1.592 30 H LEU 8 H LEU 8 -10.077 -16.130 3.270 31 HA LEU 8 HA LEU 8 -9.296 -14.497 0.949 32 HB2 LEU 8 1HB LEU 8 -11.373 -14.031 3.081 33 HB3 LEU 8 2HB LEU 8 -10.917 -12.834 1.871 34 HG LEU 8 HG LEU 8 -11.920 -15.522 1.018 35 HD11 LEU 8 1HD1 LEU 8 -13.474 -13.331 2.274 36 HD12 LEU 8 2HD1 LEU 8 -13.753 -15.072 2.285 37 HD13 LEU 8 3HD1 LEU 8 -14.165 -14.122 0.857 38 HD21 LEU 8 3HD2 LEU 8 -11.684 -14.591 -0.981 39 HD22 LEU 8 1HD2 LEU 8 -11.149 -13.083 -0.239 40 HD23 LEU 8 2HD2 LEU 8 -12.866 -13.359 -0.536 41 HA PRO 9 HA PRO 9 -6.256 -12.410 3.341 42 HB2 PRO 9 1HB PRO 9 -6.238 -10.003 2.086 43 HB3 PRO 9 2HB PRO 9 -5.552 -11.466 1.369 44 HG2 PRO 9 1HG PRO 9 -8.213 -10.185 0.880 45 HG3 PRO 9 2HG PRO 9 -7.073 -10.877 -0.289 46 HD2 PRO 9 1HD PRO 9 -9.268 -12.210 0.569 47 HD3 PRO 9 2HD PRO 9 -7.759 -13.037 0.129 48 H GLN 10 H GLN 10 -5.994 -10.861 4.965 49 HA GLN 10 HA GLN 10 -8.211 -9.073 5.572 50 HB2 GLN 10 1HB GLN 10 -7.290 -11.289 7.397 51 HB3 GLN 10 2HB GLN 10 -8.171 -9.885 7.983 52 HG2 GLN 10 1HG GLN 10 -10.108 -10.467 6.807 53 HG3 GLN 10 2HG GLN 10 -9.244 -11.612 5.782 54 HE21 GLN 10 1HE2 GLN 10 -11.151 -12.911 6.547 55 HE22 GLN 10 2HE2 GLN 10 -10.938 -13.835 7.991 56 H VAL 11 H VAL 11 -7.665 -7.371 6.989 57 HA VAL 11 HA VAL 11 -4.813 -7.146 7.672 58 HB VAL 11 HB VAL 11 -6.485 -4.970 6.407 59 HG11 VAL 11 1HG1 VAL 11 -4.674 -4.444 8.237 60 HG12 VAL 11 2HG1 VAL 11 -3.558 -4.721 6.899 61 HG13 VAL 11 3HG1 VAL 11 -4.792 -3.468 6.774 62 HG21 VAL 11 3HG2 VAL 11 -4.655 -6.973 5.334 63 HG22 VAL 11 1HG2 VAL 11 -5.841 -5.962 4.508 64 HG23 VAL 11 2HG2 VAL 11 -4.237 -5.324 4.870 65 H GLU 12 H GLU 12 -5.058 -7.399 9.848 66 HA GLU 12 HA GLU 12 -7.143 -6.187 11.356 67 HB2 GLU 12 1HB GLU 12 -5.576 -8.235 11.896 68 HB3 GLU 12 2HB GLU 12 -4.553 -6.997 12.611 69 HG2 GLU 12 1HG GLU 12 -5.774 -7.587 14.430 70 HG3 GLU 12 2HG GLU 12 -6.795 -6.299 13.794 71 H ALA 13 H ALA 13 -3.645 -5.503 11.198 72 HA ALA 13 HA ALA 13 -4.215 -2.665 11.570 73 HB1 ALA 13 3HB ALA 13 -2.633 -2.416 13.387 74 HB2 ALA 13 1HB ALA 13 -3.894 -3.564 13.837 75 HB3 ALA 13 2HB ALA 13 -2.298 -4.148 13.365 76 H TYR 14 H TYR 14 -2.265 -1.314 11.218 77 HA TYR 14 HA TYR 14 -0.118 -2.604 9.724 78 HB2 TYR 14 1HB TYR 14 -0.365 -0.984 7.849 79 HB3 TYR 14 2HB TYR 14 -1.714 -2.106 7.980 80 HD1 TYR 14 1HD TYR 14 -0.728 1.284 9.214 81 HD2 TYR 14 2HD TYR 14 -3.842 -1.239 7.786 82 HE1 TYR 14 1HE TYR 14 -2.291 3.183 9.285 83 HE2 TYR 14 2HE TYR 14 -5.413 0.652 7.852 84 HH TYR 14 HH TYR 14 -5.097 3.247 9.519 85 H SER 15 H SER 15 1.744 -1.265 9.434 86 HA SER 15 HA SER 15 1.856 1.362 10.572 87 HB2 SER 15 1HB SER 15 2.800 -1.004 12.139 88 HB3 SER 15 2HB SER 15 3.721 0.497 12.235 89 HG SER 15 HG SER 15 2.272 0.942 13.709 90 HA PRO 16 HA PRO 16 3.548 2.684 11.379 91 HB2 PRO 16 1HB PRO 16 4.321 4.897 10.009 92 HB3 PRO 16 2HB PRO 16 5.444 3.910 10.952 93 HG2 PRO 16 1HG PRO 16 4.938 3.908 8.001 94 HG3 PRO 16 2HG PRO 16 6.481 3.829 8.872 95 HD2 PRO 16 1HD PRO 16 5.288 1.638 7.819 96 HD3 PRO 16 2HD PRO 16 6.269 1.573 9.298 97 H SER 17 H SER 17 1.728 3.938 11.553 98 HA SER 17 HA SER 17 -0.444 3.541 9.959 99 HB2 SER 17 1HB SER 17 0.312 5.717 11.857 100 HB3 SER 17 2HB SER 17 -1.121 5.952 10.855 101 HG SER 17 HG SER 17 -0.617 3.778 12.611 102 H ALA 18 H ALA 18 2.120 5.878 9.500 103 HA ALA 18 HA ALA 18 1.080 6.429 6.821 104 HB1 ALA 18 3HB ALA 18 1.855 8.574 8.794 105 HB2 ALA 18 1HB ALA 18 1.528 8.842 7.081 106 HB3 ALA 18 2HB ALA 18 0.244 8.267 8.145 107 H CYS 19 H CYS 19 2.775 7.800 5.580 108 HA CYS 19 HA CYS 19 5.512 7.280 6.409 109 HB2 CYS 19 1HB CYS 19 4.181 5.952 4.075 110 HB3 CYS 19 2HB CYS 19 5.896 6.338 3.995 111 HG CYS 19 HG CYS 19 6.651 4.740 6.101 112 H SER 20 H SER 20 6.974 7.993 4.368 113 HA SER 20 HA SER 20 6.118 10.734 3.823 114 HB2 SER 20 1HB SER 20 8.794 9.347 3.730 115 HB3 SER 20 2HB SER 20 8.554 10.956 3.049 116 HG SER 20 HG SER 20 8.189 10.146 5.741 117 H VAL 21 H VAL 21 5.837 11.558 1.804 118 HA VAL 21 HA VAL 21 4.870 10.125 -0.264 119 HB VAL 21 HB VAL 21 5.634 11.950 -1.804 120 HG11 VAL 21 1HG1 VAL 21 3.612 11.973 -0.148 121 HG12 VAL 21 2HG1 VAL 21 4.548 13.230 0.665 122 HG13 VAL 21 3HG1 VAL 21 4.063 13.439 -1.019 123 HG21 VAL 21 3HG2 VAL 21 6.559 13.928 -0.203 124 HG22 VAL 21 1HG2 VAL 21 7.338 12.522 0.523 125 HG23 VAL 21 2HG2 VAL 21 7.588 12.885 -1.185 126 H ARG 22 H ARG 22 8.277 10.702 0.413 127 HA ARG 22 HA ARG 22 9.386 9.757 -1.963 128 HB2 ARG 22 1HB ARG 22 11.427 9.366 -0.670 129 HB3 ARG 22 2HB ARG 22 10.694 10.906 -0.243 130 HG2 ARG 22 1HG ARG 22 9.714 9.854 1.758 131 HG3 ARG 22 2HG ARG 22 10.540 8.351 1.341 132 HD2 ARG 22 1HD ARG 22 12.089 10.896 1.605 133 HD3 ARG 22 2HD ARG 22 11.620 9.995 3.046 134 HE ARG 22 HE ARG 22 13.596 9.233 1.078 135 HH11 ARG 22 1HH1 ARG 22 11.543 8.199 3.692 136 HH12 ARG 22 2HH1 ARG 22 12.500 6.803 4.064 137 HH21 ARG 22 1HH2 ARG 22 14.864 7.399 1.558 138 HH22 ARG 22 2HH2 ARG 22 14.389 6.350 2.851 139 H GLY 23 H GLY 23 8.426 8.000 0.963 140 HA2 GLY 23 1HA GLY 23 7.714 5.793 1.120 141 HA3 GLY 23 2HA GLY 23 8.092 5.580 -0.584 142 H GLY 24 H GLY 24 9.506 3.982 -0.811 143 HA2 GLY 24 1HA GLY 24 11.233 2.527 -0.329 144 HA3 GLY 24 2HA GLY 24 12.134 4.020 -0.112 145 H GLU 25 H GLU 25 9.473 2.879 1.903 146 HA GLU 25 HA GLU 25 11.395 2.557 4.115 147 HB2 GLU 25 1HB GLU 25 8.698 3.871 4.048 148 HB3 GLU 25 2HB GLU 25 9.317 3.194 5.548 149 HG2 GLU 25 1HG GLU 25 11.031 5.063 3.989 150 HG3 GLU 25 2HG GLU 25 9.699 5.708 4.947 151 H GLU 26 H GLU 26 10.482 1.194 5.931 152 HA GLU 26 HA GLU 26 9.495 -1.275 4.782 153 HB2 GLU 26 1HB GLU 26 11.371 -1.042 6.531 154 HB3 GLU 26 2HB GLU 26 10.077 -0.804 7.696 155 HG2 GLU 26 1HG GLU 26 10.366 -3.043 7.906 156 HG3 GLU 26 2HG GLU 26 9.162 -3.027 6.619 157 H LEU 27 H LEU 27 7.523 -2.164 5.080 158 HA LEU 27 HA LEU 27 5.662 -0.856 6.935 159 HB2 LEU 27 1HB LEU 27 5.229 0.064 4.729 160 HB3 LEU 27 2HB LEU 27 5.088 -1.560 4.060 161 HG LEU 27 HG LEU 27 3.099 -1.874 5.602 162 HD11 LEU 27 1HD1 LEU 27 2.453 -0.266 6.989 163 HD12 LEU 27 2HD1 LEU 27 2.497 0.945 5.708 164 HD13 LEU 27 3HD1 LEU 27 3.961 0.570 6.617 165 HD21 LEU 27 3HD2 LEU 27 2.922 0.247 3.463 166 HD22 LEU 27 1HD2 LEU 27 1.583 -0.716 4.087 167 HD23 LEU 27 2HD2 LEU 27 2.889 -1.496 3.194 168 H VAL 28 H VAL 28 5.263 -2.415 8.371 169 HA VAL 28 HA VAL 28 5.038 -5.191 7.503 170 HB VAL 28 HB VAL 28 4.963 -4.007 10.282 171 HG11 VAL 28 1HG1 VAL 28 5.217 -6.311 11.061 172 HG12 VAL 28 2HG1 VAL 28 3.721 -6.104 10.148 173 HG13 VAL 28 3HG1 VAL 28 5.112 -6.888 9.398 174 HG21 VAL 28 3HG2 VAL 28 7.212 -5.584 10.053 175 HG22 VAL 28 1HG2 VAL 28 7.131 -4.763 8.494 176 HG23 VAL 28 2HG2 VAL 28 7.171 -3.822 9.986 177 H LEU 29 H LEU 29 3.123 -5.875 6.821 178 HA LEU 29 HA LEU 29 0.684 -4.630 7.842 179 HB2 LEU 29 1HB LEU 29 1.323 -6.372 5.492 180 HB3 LEU 29 2HB LEU 29 -0.341 -6.184 6.042 181 HG LEU 29 HG LEU 29 1.358 -3.809 5.342 182 HD11 LEU 29 1HD1 LEU 29 0.919 -5.750 3.520 183 HD12 LEU 29 2HD1 LEU 29 1.031 -4.034 3.128 184 HD13 LEU 29 3HD1 LEU 29 -0.549 -4.791 3.329 185 HD21 LEU 29 3HD2 LEU 29 -0.746 -3.502 6.622 186 HD22 LEU 29 1HD2 LEU 29 -1.626 -4.240 5.283 187 HD23 LEU 29 2HD2 LEU 29 -0.764 -2.720 5.040 188 H THR 30 H THR 30 -0.507 -5.551 9.366 189 HA THR 30 HA THR 30 0.036 -8.342 10.086 190 HB THR 30 HB THR 30 -1.513 -6.293 11.678 191 HG1 THR 30 1HG THR 30 1.181 -7.122 12.080 192 HG21 THR 30 3HG2 THR 30 -2.094 -8.148 12.807 193 HG22 THR 30 1HG2 THR 30 -0.444 -8.106 13.425 194 HG23 THR 30 2HG2 THR 30 -0.841 -9.122 12.039 195 H GLY 31 H GLY 31 -1.484 -9.911 9.976 196 HA2 GLY 31 1HA GLY 31 -4.247 -9.595 10.036 197 HA3 GLY 31 2HA GLY 31 -3.768 -9.511 8.347 198 H SER 32 H SER 32 -4.624 -11.404 7.630 199 HA SER 32 HA SER 32 -3.195 -13.809 8.292 200 HB2 SER 32 1HB SER 32 -6.141 -13.591 8.955 201 HB3 SER 32 2HB SER 32 -5.236 -15.104 8.908 202 HG SER 32 HG SER 32 -3.811 -13.616 10.434 203 H ASN 33 H ASN 33 -4.196 -15.720 7.031 204 HA ASN 33 HA ASN 33 -4.625 -16.620 4.986 205 HB2 ASN 33 1HB ASN 33 -6.673 -14.461 5.254 206 HB3 ASN 33 2HB ASN 33 -6.511 -15.275 3.701 207 HD21 ASN 33 1HD2 ASN 33 -8.853 -15.523 4.881 208 HD22 ASN 33 2HD2 ASN 33 -9.063 -17.094 5.570 209 H PHE 34 H PHE 34 -2.366 -15.077 5.024 210 HA PHE 34 HA PHE 34 -2.448 -13.402 2.628 211 HB2 PHE 34 1HB PHE 34 -0.446 -13.771 4.841 212 HB3 PHE 34 2HB PHE 34 0.012 -12.993 3.330 213 HD1 PHE 34 1HD PHE 34 -2.255 -11.365 2.646 214 HD2 PHE 34 2HD PHE 34 -0.571 -12.159 6.473 215 HE1 PHE 34 1HE PHE 34 -3.144 -9.226 3.477 216 HE2 PHE 34 2HE PHE 34 -1.458 -10.022 7.311 217 HZ PHE 34 HZ PHE 34 -2.747 -8.553 5.812 218 H LEU 35 H LEU 35 -1.420 -13.900 0.754 219 HA LEU 35 HA LEU 35 -0.223 -16.583 0.593 220 HB2 LEU 35 1HB LEU 35 -1.583 -14.891 -1.494 221 HB3 LEU 35 2HB LEU 35 -0.735 -16.394 -1.852 222 HG LEU 35 HG LEU 35 -2.932 -16.443 0.161 223 HD11 LEU 35 1HD1 LEU 35 -3.325 -16.280 -2.821 224 HD12 LEU 35 2HD1 LEU 35 -3.966 -15.188 -1.595 225 HD13 LEU 35 3HD1 LEU 35 -4.548 -16.850 -1.685 226 HD21 LEU 35 3HD2 LEU 35 -2.901 -18.664 -0.210 227 HD22 LEU 35 1HD2 LEU 35 -1.283 -18.337 -0.831 228 HD23 LEU 35 2HD2 LEU 35 -2.643 -18.479 -1.946 229 HA PRO 36 HA PRO 36 3.695 -14.892 -0.451 230 HB2 PRO 36 1HB PRO 36 4.674 -16.868 -2.034 231 HB3 PRO 36 2HB PRO 36 4.515 -17.032 -0.281 232 HG2 PRO 36 1HG PRO 36 2.711 -18.034 -2.450 233 HG3 PRO 36 2HG PRO 36 3.254 -18.858 -0.976 234 HD2 PRO 36 1HD PRO 36 0.811 -17.709 -1.188 235 HD3 PRO 36 2HD PRO 36 1.701 -17.783 0.347 236 H ASP 37 H ASP 37 1.216 -15.216 -2.670 237 HA ASP 37 HA ASP 37 2.820 -14.070 -4.855 238 HB2 ASP 37 1HB ASP 37 0.966 -14.731 -6.342 239 HB3 ASP 37 2HB ASP 37 1.633 -16.112 -5.475 240 H SER 38 H SER 38 0.130 -13.533 -2.714 241 HA SER 38 HA SER 38 -1.353 -11.576 -3.821 242 HB2 SER 38 1HB SER 38 -0.228 -11.457 -1.011 243 HB3 SER 38 2HB SER 38 -1.671 -10.622 -1.587 244 HG SER 38 HG SER 38 -2.386 -12.868 -2.159 245 H LYS 39 H LYS 39 -1.299 -9.275 -3.887 246 HA LYS 39 HA LYS 39 1.364 -8.057 -3.684 247 HB2 LYS 39 1HB LYS 39 0.995 -8.668 -6.041 248 HB3 LYS 39 2HB LYS 39 -0.502 -7.745 -6.044 249 HG2 LYS 39 1HG LYS 39 0.603 -5.708 -5.956 250 HG3 LYS 39 2HG LYS 39 2.094 -6.433 -5.350 251 HD2 LYS 39 1HD LYS 39 1.003 -7.048 -8.084 252 HD3 LYS 39 2HD LYS 39 2.080 -5.682 -7.785 253 HE2 LYS 39 1HE LYS 39 2.729 -8.537 -7.069 254 HE3 LYS 39 2HE LYS 39 3.225 -7.760 -8.571 255 HZ1 LYS 39 3HZ LYS 39 4.817 -7.792 -6.545 256 HZ2 LYS 39 1HZ LYS 39 3.883 -6.490 -6.003 257 HZ3 LYS 39 2HZ LYS 39 4.692 -6.391 -7.485 258 H VAL 40 H VAL 40 1.332 -5.726 -3.519 259 HA VAL 40 HA VAL 40 -1.243 -4.688 -2.524 260 HB VAL 40 HB VAL 40 1.519 -3.972 -1.530 261 HG11 VAL 40 1HG1 VAL 40 -1.052 -3.160 -0.233 262 HG12 VAL 40 2HG1 VAL 40 0.554 -2.444 -0.081 263 HG13 VAL 40 3HG1 VAL 40 -0.381 -2.209 -1.558 264 HG21 VAL 40 3HG2 VAL 40 1.335 -5.628 -0.059 265 HG22 VAL 40 1HG2 VAL 40 -0.237 -5.027 0.469 266 HG23 VAL 40 2HG2 VAL 40 -0.132 -6.159 -0.880 267 H VAL 41 H VAL 41 -2.032 -3.079 -3.696 268 HA VAL 41 HA VAL 41 -0.149 -1.357 -5.175 269 HB VAL 41 HB VAL 41 -1.783 -1.076 -6.919 270 HG11 VAL 41 1HG1 VAL 41 -0.891 -2.896 -7.825 271 HG12 VAL 41 2HG1 VAL 41 -0.635 -3.608 -6.231 272 HG13 VAL 41 3HG1 VAL 41 -2.164 -3.857 -7.074 273 HG21 VAL 41 3HG2 VAL 41 -3.907 -2.409 -6.868 274 HG22 VAL 41 1HG2 VAL 41 -3.570 -2.758 -5.172 275 HG23 VAL 41 2HG2 VAL 41 -3.831 -1.094 -5.695 276 H PHE 42 H PHE 42 -0.724 0.855 -5.416 277 HA PHE 42 HA PHE 42 -2.520 1.812 -3.291 278 HB2 PHE 42 1HB PHE 42 -0.067 3.037 -4.545 279 HB3 PHE 42 2HB PHE 42 -1.186 3.974 -3.561 280 HD1 PHE 42 2HD PHE 42 0.612 0.706 -3.364 281 HD2 PHE 42 1HD PHE 42 -0.600 4.266 -1.371 282 HE1 PHE 42 2HE PHE 42 1.786 -0.036 -1.333 283 HE2 PHE 42 1HE PHE 42 0.573 3.531 0.663 284 HZ PHE 42 HZ PHE 42 1.767 1.377 0.685 285 H ILE 43 H ILE 43 -3.622 3.896 -3.735 286 HA ILE 43 HA ILE 43 -4.187 4.348 -6.577 287 HB ILE 43 HB ILE 43 -6.592 4.454 -6.171 288 HG12 ILE 43 1HG1 ILE 43 -6.132 3.243 -3.454 289 HG13 ILE 43 2HG1 ILE 43 -6.232 4.987 -3.671 290 HG21 ILE 43 1HG2 ILE 43 -6.081 2.382 -7.006 291 HG22 ILE 43 2HG2 ILE 43 -5.085 1.947 -5.618 292 HG23 ILE 43 3HG2 ILE 43 -6.843 1.933 -5.481 293 HD11 ILE 43 3HD1 ILE 43 -8.463 4.923 -4.216 294 HD12 ILE 43 1HD1 ILE 43 -8.398 3.240 -4.738 295 HD13 ILE 43 2HD1 ILE 43 -8.343 3.633 -3.019 296 H GLU 44 H GLU 44 -5.335 6.394 -6.972 297 HA GLU 44 HA GLU 44 -5.164 8.354 -4.813 298 HB2 GLU 44 1HB GLU 44 -3.011 8.597 -5.823 299 HB3 GLU 44 2HB GLU 44 -3.697 8.563 -7.441 300 HG2 GLU 44 1HG GLU 44 -4.979 10.689 -6.603 301 HG3 GLU 44 2HG GLU 44 -3.651 10.767 -5.446 302 H ARG 45 H ARG 45 -6.696 9.918 -4.918 303 HA ARG 45 HA ARG 45 -8.658 9.676 -7.071 304 HB2 ARG 45 1HB ARG 45 -8.787 11.055 -4.385 305 HB3 ARG 45 2HB ARG 45 -10.093 11.060 -5.563 306 HG2 ARG 45 1HG ARG 45 -10.275 8.642 -5.401 307 HG3 ARG 45 2HG ARG 45 -8.932 8.608 -4.257 308 HD2 ARG 45 1HD ARG 45 -11.497 10.120 -3.798 309 HD3 ARG 45 2HD ARG 45 -11.205 8.482 -3.216 310 HE ARG 45 HE ARG 45 -9.768 9.325 -1.612 311 HH11 ARG 45 1HH1 ARG 45 -10.731 11.835 -3.824 312 HH12 ARG 45 2HH1 ARG 45 -10.110 13.119 -2.842 313 HH21 ARG 45 1HH2 ARG 45 -8.946 11.007 -0.310 314 HH22 ARG 45 2HH2 ARG 45 -9.094 12.648 -0.843 315 H GLY 46 H GLY 46 -9.089 11.260 -8.511 316 HA2 GLY 46 1HA GLY 46 -7.369 13.645 -8.389 317 HA3 GLY 46 2HA GLY 46 -8.094 12.985 -9.847 318 HA PRO 47 HA PRO 47 -10.648 16.509 -7.917 319 HB2 PRO 47 1HB PRO 47 -10.004 18.471 -9.679 320 HB3 PRO 47 2HB PRO 47 -9.108 18.193 -8.181 321 HG2 PRO 47 1HG PRO 47 -8.449 17.331 -10.972 322 HG3 PRO 47 2HG PRO 47 -7.381 18.008 -9.728 323 HD2 PRO 47 1HD PRO 47 -7.494 15.356 -10.267 324 HD3 PRO 47 2HD PRO 47 -7.159 15.987 -8.641 325 H ASP 48 H ASP 48 -10.403 14.655 -10.640 326 HA ASP 48 HA ASP 48 -12.507 15.950 -12.166 327 HB2 ASP 48 1HB ASP 48 -11.446 13.211 -12.772 328 HB3 ASP 48 2HB ASP 48 -12.029 14.448 -13.882 329 H GLY 49 H GLY 49 -12.044 13.022 -10.231 330 HA2 GLY 49 1HA GLY 49 -14.234 12.663 -8.891 331 HA3 GLY 49 2HA GLY 49 -14.911 12.426 -10.495 332 H LYS 50 H LYS 50 -12.477 11.105 -11.484 333 HA LYS 50 HA LYS 50 -12.936 8.490 -10.225 334 HB2 LYS 50 1HB LYS 50 -11.840 9.156 -12.963 335 HB3 LYS 50 2HB LYS 50 -12.087 7.532 -12.335 336 HG2 LYS 50 1HG LYS 50 -14.545 8.290 -12.033 337 HG3 LYS 50 2HG LYS 50 -14.111 9.560 -13.179 338 HD2 LYS 50 1HD LYS 50 -13.496 6.687 -13.770 339 HD3 LYS 50 2HD LYS 50 -15.103 7.348 -14.079 340 HE2 LYS 50 1HE LYS 50 -12.554 8.543 -15.153 341 HE3 LYS 50 2HE LYS 50 -13.550 7.393 -16.043 342 HZ1 LYS 50 3HZ LYS 50 -15.256 8.910 -16.262 343 HZ2 LYS 50 1HZ LYS 50 -13.893 9.900 -16.421 344 HZ3 LYS 50 2HZ LYS 50 -14.743 9.860 -14.959 345 H LEU 51 H LEU 51 -11.188 7.120 -9.743 346 HA LEU 51 HA LEU 51 -8.664 8.552 -9.299 347 HB2 LEU 51 1HB LEU 51 -8.210 6.590 -7.748 348 HB3 LEU 51 2HB LEU 51 -9.452 7.741 -7.258 349 HG LEU 51 HG LEU 51 -11.166 6.130 -8.111 350 HD11 LEU 51 1HD1 LEU 51 -9.980 3.705 -8.062 351 HD12 LEU 51 2HD1 LEU 51 -8.716 4.669 -8.825 352 HD13 LEU 51 3HD1 LEU 51 -10.329 4.607 -9.537 353 HD21 LEU 51 3HD2 LEU 51 -10.368 4.363 -6.215 354 HD22 LEU 51 1HD2 LEU 51 -11.166 5.899 -5.876 355 HD23 LEU 51 2HD2 LEU 51 -9.408 5.779 -5.784 356 H GLN 52 H GLN 52 -6.767 7.854 -10.141 357 HA GLN 52 HA GLN 52 -6.560 5.238 -11.368 358 HB2 GLN 52 1HB GLN 52 -6.494 7.793 -12.959 359 HB3 GLN 52 2HB GLN 52 -5.698 6.329 -13.522 360 HG2 GLN 52 1HG GLN 52 -8.062 5.271 -13.065 361 HG3 GLN 52 2HG GLN 52 -8.592 6.940 -13.265 362 HE21 GLN 52 1HE2 GLN 52 -9.561 6.879 -15.197 363 HE22 GLN 52 2HE2 GLN 52 -8.799 6.396 -16.670 364 H TRP 53 H TRP 53 -4.788 4.594 -10.307 365 HA TRP 53 HA TRP 53 -2.305 6.009 -10.797 366 HB2 TRP 53 1HB TRP 53 -3.325 6.938 -8.651 367 HB3 TRP 53 2HB TRP 53 -3.042 5.348 -7.947 368 HD1 TRP 53 HD TRP 53 -0.511 7.031 -10.295 369 HE1 TRP 53 1HE TRP 53 1.644 7.499 -8.967 370 HE3 TRP 53 3HE TRP 53 -2.133 5.717 -5.628 371 HZ2 TRP 53 2HZ TRP 53 2.537 7.334 -6.295 372 HZ3 TRP 53 3HZ TRP 53 -0.566 5.901 -3.740 373 HH2 TRP 53 HH TRP 53 1.721 6.692 -4.069 374 H GLU 54 H GLU 54 -0.949 4.501 -11.485 375 HA GLU 54 HA GLU 54 -1.207 1.774 -10.410 376 HB2 GLU 54 1HB GLU 54 -1.572 1.998 -12.844 377 HB3 GLU 54 2HB GLU 54 0.041 2.675 -13.012 378 HG2 GLU 54 1HG GLU 54 0.974 0.559 -12.135 379 HG3 GLU 54 2HG GLU 54 -0.657 -0.109 -12.113 380 H GLU 55 H GLU 55 0.211 1.459 -8.819 381 HA GLU 55 HA GLU 55 3.030 1.993 -9.346 382 HB2 GLU 55 1HB GLU 55 1.407 3.265 -7.201 383 HB3 GLU 55 2HB GLU 55 3.037 2.750 -6.788 384 HG2 GLU 55 1HG GLU 55 2.291 4.634 -9.012 385 HG3 GLU 55 2HG GLU 55 2.987 5.084 -7.457 386 H GLU 56 H GLU 56 3.937 0.059 -9.145 387 HA GLU 56 HA GLU 56 2.816 -1.952 -7.397 388 HB2 GLU 56 1HB GLU 56 3.638 -2.615 -9.591 389 HB3 GLU 56 2HB GLU 56 5.239 -2.002 -9.203 390 HG2 GLU 56 1HG GLU 56 5.432 -3.680 -7.421 391 HG3 GLU 56 2HG GLU 56 3.849 -4.313 -7.867 392 H ALA 57 H ALA 57 3.696 -2.752 -5.539 393 HA ALA 57 HA ALA 57 5.885 -1.174 -4.376 394 HB1 ALA 57 3HB ALA 57 5.016 -1.626 -2.253 395 HB2 ALA 57 1HB ALA 57 3.592 -1.344 -3.255 396 HB3 ALA 57 2HB ALA 57 4.063 -2.991 -2.834 397 H THR 58 H THR 58 7.688 -2.136 -3.507 398 HA THR 58 HA THR 58 8.483 -4.628 -4.614 399 HB THR 58 HB THR 58 9.798 -3.016 -2.417 400 HG1 THR 58 1HG THR 58 11.106 -2.281 -4.192 401 HG21 THR 58 3HG2 THR 58 10.354 -5.612 -3.213 402 HG22 THR 58 1HG2 THR 58 11.446 -4.528 -2.352 403 HG23 THR 58 2HG2 THR 58 11.516 -4.636 -4.111 404 H VAL 59 H VAL 59 7.274 -6.341 -3.936 405 HA VAL 59 HA VAL 59 6.786 -6.759 -1.101 406 HB VAL 59 HB VAL 59 5.933 -8.259 -3.570 407 HG11 VAL 59 1HG1 VAL 59 6.379 -9.943 -1.916 408 HG12 VAL 59 2HG1 VAL 59 5.513 -9.024 -0.684 409 HG13 VAL 59 3HG1 VAL 59 4.634 -9.725 -2.042 410 HG21 VAL 59 3HG2 VAL 59 4.008 -7.138 -3.389 411 HG22 VAL 59 1HG2 VAL 59 3.919 -7.409 -1.648 412 HG23 VAL 59 2HG2 VAL 59 4.869 -6.066 -2.285 413 H ASN 60 H ASN 60 7.772 -8.241 0.169 414 HA ASN 60 HA ASN 60 9.909 -9.849 -1.068 415 HB2 ASN 60 1HB ASN 60 10.422 -7.891 0.630 416 HB3 ASN 60 2HB ASN 60 9.992 -9.110 1.827 417 HD21 ASN 60 1HD2 ASN 60 11.912 -9.575 2.698 418 HD22 ASN 60 2HD2 ASN 60 13.276 -10.172 1.821 419 H ARG 61 H ARG 61 8.488 -11.616 -1.390 420 HA ARG 61 HA ARG 61 6.836 -12.787 0.508 421 HB2 ARG 61 1HB ARG 61 6.968 -14.817 -0.830 422 HB3 ARG 61 2HB ARG 61 6.847 -13.406 -1.874 423 HG2 ARG 61 1HG ARG 61 9.466 -14.715 -1.202 424 HG3 ARG 61 2HG ARG 61 8.480 -15.184 -2.588 425 HD2 ARG 61 1HD ARG 61 8.531 -12.642 -3.139 426 HD3 ARG 61 2HD ARG 61 9.935 -12.624 -2.073 427 HE ARG 61 HE ARG 61 10.120 -14.675 -4.044 428 HH11 ARG 61 1HH1 ARG 61 10.528 -11.259 -3.511 429 HH12 ARG 61 2HH1 ARG 61 11.692 -11.068 -4.781 430 HH21 ARG 61 1HH2 ARG 61 11.651 -14.436 -5.718 431 HH22 ARG 61 2HH2 ARG 61 12.329 -12.875 -6.036 432 H LEU 62 H LEU 62 10.296 -12.930 0.161 433 HA LEU 62 HA LEU 62 10.976 -15.207 1.537 434 HB2 LEU 62 1HB LEU 62 12.230 -12.525 1.250 435 HB3 LEU 62 2HB LEU 62 12.911 -13.644 2.429 436 HG LEU 62 HG LEU 62 12.901 -15.277 0.343 437 HD11 LEU 62 1HD1 LEU 62 13.083 -12.538 -0.902 438 HD12 LEU 62 2HD1 LEU 62 11.819 -13.735 -1.182 439 HD13 LEU 62 3HD1 LEU 62 13.470 -14.058 -1.709 440 HD21 LEU 62 3HD2 LEU 62 15.207 -14.743 0.004 441 HD22 LEU 62 1HD2 LEU 62 14.837 -14.504 1.711 442 HD23 LEU 62 2HD2 LEU 62 14.977 -13.113 0.637 443 H GLN 63 H GLN 63 10.356 -11.992 2.939 444 HA GLN 63 HA GLN 63 10.472 -13.044 5.627 445 HB2 GLN 63 1HB GLN 63 9.761 -10.304 4.570 446 HB3 GLN 63 2HB GLN 63 9.871 -10.710 6.277 447 HG2 GLN 63 1HG GLN 63 12.138 -10.950 4.314 448 HG3 GLN 63 2HG GLN 63 11.878 -9.578 5.390 449 HE21 GLN 63 1HE2 GLN 63 12.954 -9.626 7.220 450 HE22 GLN 63 2HE2 GLN 63 13.554 -11.037 8.017 451 H SER 64 H SER 64 7.984 -11.727 3.467 452 HA SER 64 HA SER 64 5.784 -11.642 5.041 453 HB2 SER 64 1HB SER 64 5.756 -11.119 2.635 454 HB3 SER 64 2HB SER 64 5.879 -12.837 2.260 455 HG SER 64 HG SER 64 3.865 -12.780 3.804 456 H ASN 65 H ASN 65 4.312 -13.033 5.930 457 HA ASN 65 HA ASN 65 4.895 -15.911 5.708 458 HB2 ASN 65 1HB ASN 65 5.642 -14.799 7.891 459 HB3 ASN 65 2HB ASN 65 3.928 -14.610 8.251 460 HD21 ASN 65 1HD2 ASN 65 3.924 -15.968 9.994 461 HD22 ASN 65 2HD2 ASN 65 4.146 -17.677 9.863 462 H GLU 66 H GLU 66 2.997 -17.240 6.589 463 HA GLU 66 HA GLU 66 0.785 -16.953 5.013 464 HB2 GLU 66 1HB GLU 66 1.496 -18.894 6.581 465 HB3 GLU 66 2HB GLU 66 0.507 -18.078 7.784 466 HG2 GLU 66 1HG GLU 66 -1.458 -18.382 6.529 467 HG3 GLU 66 2HG GLU 66 -0.556 -18.833 5.083 468 H VAL 67 H VAL 67 1.508 -15.288 7.967 469 HA VAL 67 HA VAL 67 -1.002 -13.784 7.690 470 HB VAL 67 HB VAL 67 -1.237 -13.645 10.118 471 HG11 VAL 67 1HG1 VAL 67 -2.192 -15.753 10.453 472 HG12 VAL 67 2HG1 VAL 67 -2.227 -15.538 8.702 473 HG13 VAL 67 3HG1 VAL 67 -0.993 -16.558 9.442 474 HG21 VAL 67 3HG2 VAL 67 1.425 -14.524 10.132 475 HG22 VAL 67 1HG2 VAL 67 0.401 -14.173 11.524 476 HG23 VAL 67 2HG2 VAL 67 0.486 -15.814 10.883 477 H THR 68 H THR 68 1.628 -13.139 6.740 478 HA THR 68 HA THR 68 1.915 -10.550 8.011 479 HB THR 68 HB THR 68 4.266 -12.450 7.884 480 HG1 THR 68 1HG THR 68 3.198 -11.239 10.211 481 HG21 THR 68 3HG2 THR 68 4.365 -9.751 7.582 482 HG22 THR 68 1HG2 THR 68 5.656 -10.720 8.290 483 HG23 THR 68 2HG2 THR 68 4.495 -9.902 9.335 484 H LEU 69 H LEU 69 2.490 -9.014 6.579 485 HA LEU 69 HA LEU 69 3.549 -9.889 3.974 486 HB2 LEU 69 1HB LEU 69 1.218 -8.177 4.626 487 HB3 LEU 69 2HB LEU 69 2.207 -7.703 3.246 488 HG LEU 69 HG LEU 69 0.810 -10.358 3.583 489 HD11 LEU 69 1HD1 LEU 69 -0.571 -8.235 3.144 490 HD12 LEU 69 2HD1 LEU 69 -0.805 -9.622 2.080 491 HD13 LEU 69 3HD1 LEU 69 0.174 -8.256 1.545 492 HD21 LEU 69 3HD2 LEU 69 1.454 -10.164 0.967 493 HD22 LEU 69 1HD2 LEU 69 2.434 -11.007 2.167 494 HD23 LEU 69 2HD2 LEU 69 2.839 -9.354 1.702 495 H THR 70 H THR 70 5.595 -9.203 3.962 496 HA THR 70 HA THR 70 6.208 -6.535 5.027 497 HB THR 70 HB THR 70 8.111 -8.779 4.324 498 HG1 THR 70 1HG THR 70 7.516 -7.834 6.928 499 HG21 THR 70 3HG2 THR 70 8.518 -6.060 5.553 500 HG22 THR 70 1HG2 THR 70 9.287 -6.732 4.116 501 HG23 THR 70 2HG2 THR 70 9.695 -7.363 5.712 502 H LEU 71 H LEU 71 6.323 -4.944 3.595 503 HA LEU 71 HA LEU 71 7.686 -5.393 1.056 504 HB2 LEU 71 1HB LEU 71 5.964 -4.484 -0.285 505 HB3 LEU 71 2HB LEU 71 5.230 -5.738 0.712 506 HG LEU 71 HG LEU 71 5.080 -2.854 1.518 507 HD11 LEU 71 1HD1 LEU 71 2.815 -4.034 0.030 508 HD12 LEU 71 2HD1 LEU 71 4.213 -3.525 -0.916 509 HD13 LEU 71 3HD1 LEU 71 3.376 -2.364 0.114 510 HD21 LEU 71 3HD2 LEU 71 4.329 -5.175 2.755 511 HD22 LEU 71 1HD2 LEU 71 2.834 -4.666 1.970 512 HD23 LEU 71 2HD2 LEU 71 3.659 -3.577 3.087 513 H THR 72 H THR 72 7.918 -3.226 -0.138 514 HA THR 72 HA THR 72 8.593 -1.170 1.858 515 HB THR 72 HB THR 72 9.772 -1.586 -0.897 516 HG1 THR 72 1HG THR 72 10.470 -2.453 1.659 517 HG21 THR 72 3HG2 THR 72 9.905 0.727 -0.423 518 HG22 THR 72 1HG2 THR 72 11.484 0.066 0.001 519 HG23 THR 72 2HG2 THR 72 10.314 0.436 1.268 520 H VAL 73 H VAL 73 7.218 0.475 1.912 521 HA VAL 73 HA VAL 73 5.151 1.042 0.231 522 HB VAL 73 HB VAL 73 6.808 3.068 1.741 523 HG11 VAL 73 1HG1 VAL 73 5.233 4.661 1.345 524 HG12 VAL 73 2HG1 VAL 73 5.061 3.736 -0.148 525 HG13 VAL 73 3HG1 VAL 73 3.927 3.488 1.180 526 HG21 VAL 73 3HG2 VAL 73 4.188 1.978 2.668 527 HG22 VAL 73 1HG2 VAL 73 5.660 1.040 2.921 528 HG23 VAL 73 2HG2 VAL 73 5.517 2.659 3.606 529 HA PRO 74 HA PRO 74 6.977 2.402 -3.557 530 HB2 PRO 74 1HB PRO 74 4.752 3.505 -4.655 531 HB3 PRO 74 2HB PRO 74 5.006 1.759 -4.548 532 HG2 PRO 74 1HG PRO 74 3.382 3.548 -2.781 533 HG3 PRO 74 2HG PRO 74 2.980 1.944 -3.421 534 HD2 PRO 74 1HD PRO 74 3.865 2.324 -0.890 535 HD3 PRO 74 2HD PRO 74 4.228 0.854 -1.818 536 H GLU 75 H GLU 75 7.233 4.405 -4.833 537 HA GLU 75 HA GLU 75 7.343 6.732 -3.051 538 HB2 GLU 75 1HB GLU 75 9.486 6.352 -3.891 539 HB3 GLU 75 2HB GLU 75 8.889 5.908 -5.484 540 HG2 GLU 75 1HG GLU 75 8.615 8.095 -6.143 541 HG3 GLU 75 2HG GLU 75 8.495 8.689 -4.488 542 H TYR 76 H TYR 76 5.939 8.329 -3.301 543 HA TYR 76 HA TYR 76 3.831 8.387 -5.045 544 HB2 TYR 76 1HB TYR 76 4.351 9.878 -2.986 545 HB3 TYR 76 2HB TYR 76 5.110 10.956 -4.151 546 HD1 TYR 76 1HD TYR 76 1.977 8.926 -4.318 547 HD2 TYR 76 2HD TYR 76 3.738 12.798 -4.429 548 HE1 TYR 76 1HE TYR 76 -0.220 9.904 -4.834 549 HE2 TYR 76 2HE TYR 76 1.546 13.787 -4.944 550 HH TYR 76 HH TYR 76 -1.033 12.077 -6.025 551 H SER 77 H SER 77 3.338 9.662 -6.911 552 HA SER 77 HA SER 77 5.506 9.693 -8.815 553 HB2 SER 77 1HB SER 77 3.346 8.878 -9.554 554 HB3 SER 77 2HB SER 77 2.574 10.394 -9.090 555 HG SER 77 HG SER 77 4.113 9.786 -11.313 556 H ASN 78 H ASN 78 3.165 12.119 -7.649 557 HA ASN 78 HA ASN 78 4.736 14.269 -8.781 558 HB2 ASN 78 1HB ASN 78 2.159 14.149 -8.626 559 HB3 ASN 78 2HB ASN 78 2.379 14.627 -6.945 560 HD21 ASN 78 1HD2 ASN 78 1.496 15.836 -9.730 561 HD22 ASN 78 2HD2 ASN 78 2.150 17.433 -9.638 562 H LYS 79 H LYS 79 6.229 12.857 -6.938 563 HA LYS 79 HA LYS 79 6.307 13.495 -4.320 564 HB2 LYS 79 1HB LYS 79 8.447 13.148 -6.361 565 HB3 LYS 79 2HB LYS 79 8.919 13.774 -4.786 566 HG2 LYS 79 1HG LYS 79 7.509 11.722 -3.926 567 HG3 LYS 79 2HG LYS 79 7.881 11.093 -5.533 568 HD2 LYS 79 1HD LYS 79 9.626 10.310 -4.182 569 HD3 LYS 79 2HD LYS 79 10.310 11.711 -5.009 570 HE2 LYS 79 1HE LYS 79 8.997 12.112 -2.368 571 HE3 LYS 79 2HE LYS 79 10.595 11.370 -2.409 572 HZ1 LYS 79 3HZ LYS 79 10.870 13.487 -4.065 573 HZ2 LYS 79 1HZ LYS 79 11.332 13.460 -2.438 574 HZ3 LYS 79 2HZ LYS 79 9.831 14.102 -2.880 575 H ARG 80 H ARG 80 7.198 15.639 -6.976 576 HA ARG 80 HA ARG 80 8.448 17.723 -5.869 577 HB2 ARG 80 1HB ARG 80 6.179 17.649 -7.819 578 HB3 ARG 80 2HB ARG 80 6.782 19.203 -7.260 579 HG2 ARG 80 1HG ARG 80 8.658 17.147 -8.355 580 HG3 ARG 80 2HG ARG 80 7.733 18.198 -9.430 581 HD2 ARG 80 1HD ARG 80 9.737 19.345 -9.139 582 HD3 ARG 80 2HD ARG 80 8.647 20.123 -7.992 583 HE ARG 80 HE ARG 80 10.019 19.423 -6.315 584 HH11 ARG 80 1HH1 ARG 80 10.564 17.406 -9.100 585 HH12 ARG 80 2HH1 ARG 80 11.873 16.534 -8.375 586 HH21 ARG 80 1HH2 ARG 80 11.742 18.282 -5.349 587 HH22 ARG 80 2HH2 ARG 80 12.542 17.032 -6.241 588 H VAL 81 H VAL 81 5.044 16.949 -5.361 589 HA VAL 81 HA VAL 81 4.054 19.139 -4.107 590 HB VAL 81 HB VAL 81 2.660 17.656 -2.721 591 HG11 VAL 81 1HG1 VAL 81 1.454 17.527 -4.581 592 HG12 VAL 81 2HG1 VAL 81 2.908 17.596 -5.579 593 HG13 VAL 81 3HG1 VAL 81 2.313 16.043 -4.991 594 HG21 VAL 81 3HG2 VAL 81 2.952 15.223 -2.859 595 HG22 VAL 81 1HG2 VAL 81 4.431 15.460 -3.790 596 HG23 VAL 81 2HG2 VAL 81 4.346 16.007 -2.115 597 H SER 82 H SER 82 4.159 20.111 -2.126 598 HA SER 82 HA SER 82 6.324 19.189 -0.355 599 HB2 SER 82 1HB SER 82 5.361 21.904 -1.146 600 HB3 SER 82 2HB SER 82 6.050 21.696 0.464 601 HG SER 82 HG SER 82 7.299 21.827 -1.925 602 H ARG 83 H ARG 83 3.207 18.774 -0.534 603 HA ARG 83 HA ARG 83 2.779 19.130 2.357 604 HB2 ARG 83 1HB ARG 83 0.978 19.820 0.070 605 HB3 ARG 83 2HB ARG 83 0.270 19.302 1.594 606 HG2 ARG 83 1HG ARG 83 0.981 21.173 2.719 607 HG3 ARG 83 2HG ARG 83 2.316 21.467 1.603 608 HD2 ARG 83 1HD ARG 83 0.813 23.147 1.059 609 HD3 ARG 83 2HD ARG 83 0.458 21.902 -0.137 610 HE ARG 83 HE ARG 83 -1.176 21.639 2.182 611 HH11 ARG 83 1HH1 ARG 83 -0.787 23.436 -0.774 612 HH12 ARG 83 2HH1 ARG 83 -2.469 23.828 -0.911 613 HH21 ARG 83 1HH2 ARG 83 -3.393 22.148 2.013 614 HH22 ARG 83 2HH2 ARG 83 -3.950 23.095 0.676 615 HA PRO 84 HA PRO 84 1.676 14.888 2.556 616 HB2 PRO 84 1HB PRO 84 -0.317 14.903 4.399 617 HB3 PRO 84 2HB PRO 84 1.378 15.176 4.816 618 HG2 PRO 84 1HG PRO 84 -0.817 17.170 4.406 619 HG3 PRO 84 2HG PRO 84 0.433 17.125 5.663 620 HD2 PRO 84 1HD PRO 84 0.608 18.733 3.491 621 HD3 PRO 84 2HD PRO 84 2.037 18.031 4.277 622 H VAL 85 H VAL 85 0.429 13.485 1.453 623 HA VAL 85 HA VAL 85 -2.183 14.442 0.473 624 HB VAL 85 HB VAL 85 -0.272 12.596 -0.966 625 HG11 VAL 85 1HG1 VAL 85 -2.184 11.923 -1.937 626 HG12 VAL 85 2HG1 VAL 85 -3.084 13.335 -1.381 627 HG13 VAL 85 3HG1 VAL 85 -2.064 13.447 -2.816 628 HG21 VAL 85 3HG2 VAL 85 0.767 14.551 -1.408 629 HG22 VAL 85 1HG2 VAL 85 -0.537 14.739 -2.580 630 HG23 VAL 85 2HG2 VAL 85 -0.651 15.519 -1.003 631 H GLN 86 H GLN 86 -3.892 13.012 0.459 632 HA GLN 86 HA GLN 86 -3.559 10.672 2.170 633 HB2 GLN 86 1HB GLN 86 -5.358 12.265 2.692 634 HB3 GLN 86 2HB GLN 86 -6.070 11.980 1.110 635 HG2 GLN 86 1HG GLN 86 -7.358 10.592 2.356 636 HG3 GLN 86 2HG GLN 86 -6.057 9.479 1.938 637 HE21 GLN 86 1HE2 GLN 86 -5.947 8.183 3.655 638 HE22 GLN 86 2HE2 GLN 86 -5.700 8.706 5.283 639 H VAL 87 H VAL 87 -3.580 8.645 1.441 640 HA VAL 87 HA VAL 87 -4.751 8.075 -1.187 641 HB VAL 87 HB VAL 87 -2.857 6.745 -1.884 642 HG11 VAL 87 1HG1 VAL 87 -2.311 8.708 -2.811 643 HG12 VAL 87 2HG1 VAL 87 -2.635 9.604 -1.325 644 HG13 VAL 87 3HG1 VAL 87 -1.080 8.803 -1.552 645 HG21 VAL 87 3HG2 VAL 87 -1.174 6.078 -0.555 646 HG22 VAL 87 1HG2 VAL 87 -1.012 7.665 0.198 647 HG23 VAL 87 2HG2 VAL 87 -2.246 6.541 0.766 648 H TYR 88 H TYR 88 -4.673 5.586 -1.555 649 HA TYR 88 HA TYR 88 -5.060 4.125 0.952 650 HB2 TYR 88 1HB TYR 88 -7.092 4.181 -1.290 651 HB3 TYR 88 2HB TYR 88 -7.183 3.179 0.155 652 HD1 TYR 88 2HD TYR 88 -7.536 6.569 -1.183 653 HD2 TYR 88 1HD TYR 88 -7.769 4.145 2.306 654 HE1 TYR 88 2HE TYR 88 -8.726 8.376 -0.014 655 HE2 TYR 88 1HE TYR 88 -8.960 5.945 3.484 656 HH TYR 88 HH TYR 88 -10.487 8.007 2.630 657 H PHE 89 H PHE 89 -4.883 1.852 0.761 658 HA PHE 89 HA PHE 89 -3.988 0.817 -1.827 659 HB2 PHE 89 1HB PHE 89 -2.090 -0.355 -0.688 660 HB3 PHE 89 2HB PHE 89 -1.922 1.397 -0.741 661 HD1 PHE 89 2HD PHE 89 -2.893 -1.428 1.446 662 HD2 PHE 89 1HD PHE 89 -1.666 2.642 1.223 663 HE1 PHE 89 2HE PHE 89 -2.588 -1.390 3.887 664 HE2 PHE 89 1HE PHE 89 -1.359 2.686 3.664 665 HZ PHE 89 HZ PHE 89 -1.821 0.669 4.999 666 H TYR 90 H TYR 90 -3.911 -1.559 -1.885 667 HA TYR 90 HA TYR 90 -5.298 -2.989 0.214 668 HB2 TYR 90 1HB TYR 90 -7.099 -3.802 -1.237 669 HB3 TYR 90 2HB TYR 90 -7.164 -2.050 -1.076 670 HD1 TYR 90 1HD TYR 90 -6.292 -4.823 -3.349 671 HD2 TYR 90 2HD TYR 90 -6.882 -0.627 -2.971 672 HE1 TYR 90 1HE TYR 90 -6.274 -4.606 -5.799 673 HE2 TYR 90 2HE TYR 90 -6.867 -0.398 -5.420 674 HH TYR 90 HH TYR 90 -7.452 -2.471 -7.465 675 H VAL 91 H VAL 91 -5.542 -5.347 -0.384 676 HA VAL 91 HA VAL 91 -3.139 -6.184 -1.852 677 HB VAL 91 HB VAL 91 -4.795 -7.817 0.076 678 HG11 VAL 91 1HG1 VAL 91 -2.296 -8.883 0.058 679 HG12 VAL 91 2HG1 VAL 91 -3.641 -9.466 -0.924 680 HG13 VAL 91 3HG1 VAL 91 -2.458 -8.356 -1.617 681 HG21 VAL 91 3HG2 VAL 91 -3.212 -7.327 1.775 682 HG22 VAL 91 1HG2 VAL 91 -2.144 -6.505 0.637 683 HG23 VAL 91 2HG2 VAL 91 -3.691 -5.781 1.076 684 H SER 92 H SER 92 -3.214 -7.804 -3.406 685 HA SER 92 HA SER 92 -5.900 -8.357 -4.480 686 HB2 SER 92 1HB SER 92 -4.078 -7.022 -5.824 687 HB3 SER 92 2HB SER 92 -3.415 -8.626 -6.135 688 HG SER 92 HG SER 92 -5.936 -8.894 -6.608 689 H ASN 93 H ASN 93 -6.583 -10.368 -4.227 690 HA ASN 93 HA ASN 93 -4.620 -12.556 -4.341 691 HB2 ASN 93 1HB ASN 93 -6.854 -12.191 -2.340 692 HB3 ASN 93 2HB ASN 93 -6.037 -13.730 -2.599 693 HD21 ASN 93 1HD2 ASN 93 -5.680 -13.287 -0.228 694 HD22 ASN 93 2HD2 ASN 93 -4.229 -12.448 0.191 695 H GLY 94 H GLY 94 -5.099 -13.405 -6.292 696 HA2 GLY 94 1HA GLY 94 -6.299 -14.901 -7.627 697 HA3 GLY 94 2HA GLY 94 -7.699 -14.667 -6.591 698 H ARG 95 H ARG 95 -9.299 -14.054 -7.905 699 HA ARG 95 HA ARG 95 -8.752 -11.879 -9.817 700 HB2 ARG 95 1HB ARG 95 -10.859 -14.045 -9.933 701 HB3 ARG 95 2HB ARG 95 -10.711 -12.723 -11.084 702 HG2 ARG 95 1HG ARG 95 -8.539 -14.740 -10.572 703 HG3 ARG 95 2HG ARG 95 -9.752 -14.896 -11.844 704 HD2 ARG 95 1HD ARG 95 -8.103 -13.880 -13.040 705 HD3 ARG 95 2HD ARG 95 -8.922 -12.447 -12.420 706 HE ARG 95 HE ARG 95 -7.106 -12.018 -11.063 707 HH11 ARG 95 1HH1 ARG 95 -6.793 -15.160 -12.529 708 HH12 ARG 95 2HH1 ARG 95 -5.140 -15.362 -12.052 709 HH21 ARG 95 1HH2 ARG 95 -4.930 -12.272 -10.429 710 HH22 ARG 95 2HH2 ARG 95 -4.081 -13.719 -10.857 711 H ARG 96 H ARG 96 -11.572 -13.247 -8.106 712 HA ARG 96 HA ARG 96 -12.705 -10.583 -7.850 713 HB2 ARG 96 1HB ARG 96 -14.199 -12.379 -8.507 714 HB3 ARG 96 2HB ARG 96 -13.767 -13.304 -7.076 715 HG2 ARG 96 1HG ARG 96 -14.734 -11.477 -5.686 716 HG3 ARG 96 2HG ARG 96 -15.299 -10.717 -7.176 717 HD2 ARG 96 1HD ARG 96 -17.074 -12.026 -6.152 718 HD3 ARG 96 2HD ARG 96 -16.600 -12.724 -7.700 719 HE ARG 96 HE ARG 96 -15.101 -14.103 -5.928 720 HH11 ARG 96 1HH1 ARG 96 -18.504 -13.392 -6.124 721 HH12 ARG 96 2HH1 ARG 96 -18.988 -14.856 -5.335 722 HH21 ARG 96 1HH2 ARG 96 -15.727 -16.034 -4.887 723 HH22 ARG 96 2HH2 ARG 96 -17.408 -16.357 -4.630 724 H LYS 97 H LYS 97 -11.547 -13.198 -5.763 725 HA LYS 97 HA LYS 97 -12.178 -12.102 -3.287 726 HB2 LYS 97 1HB LYS 97 -9.733 -13.743 -3.974 727 HB3 LYS 97 2HB LYS 97 -10.427 -13.535 -2.371 728 HG2 LYS 97 1HG LYS 97 -12.283 -14.851 -2.870 729 HG3 LYS 97 2HG LYS 97 -12.028 -14.712 -4.611 730 HD2 LYS 97 1HD LYS 97 -10.246 -16.220 -4.591 731 HD3 LYS 97 2HD LYS 97 -9.994 -16.041 -2.853 732 HE2 LYS 97 1HE LYS 97 -12.579 -17.141 -3.864 733 HE3 LYS 97 2HE LYS 97 -11.155 -18.179 -3.814 734 HZ1 LYS 97 3HZ LYS 97 -11.524 -18.492 -1.669 735 HZ2 LYS 97 1HZ LYS 97 -12.860 -17.454 -1.707 736 HZ3 LYS 97 2HZ LYS 97 -11.320 -16.839 -1.373 737 H ARG 98 H ARG 98 -11.666 -10.157 -2.541 738 HA ARG 98 HA ARG 98 -8.889 -9.262 -2.713 739 HB2 ARG 98 1HB ARG 98 -11.247 -7.892 -3.906 740 HB3 ARG 98 2HB ARG 98 -10.034 -6.888 -3.123 741 HG2 ARG 98 1HG ARG 98 -8.449 -7.329 -4.696 742 HG3 ARG 98 2HG ARG 98 -9.101 -8.927 -5.065 743 HD2 ARG 98 1HD ARG 98 -11.073 -7.743 -6.106 744 HD3 ARG 98 2HD ARG 98 -10.155 -6.247 -5.943 745 HE ARG 98 HE ARG 98 -8.431 -7.810 -7.269 746 HH11 ARG 98 1HH1 ARG 98 -11.808 -7.131 -7.776 747 HH12 ARG 98 2HH1 ARG 98 -11.725 -7.339 -9.494 748 HH21 ARG 98 1HH2 ARG 98 -8.310 -8.087 -9.529 749 HH22 ARG 98 2HH2 ARG 98 -9.736 -7.884 -10.490 750 H SER 99 H SER 99 -8.575 -7.248 -1.322 751 HA SER 99 HA SER 99 -10.211 -7.521 1.114 752 HB2 SER 99 1HB SER 99 -8.331 -7.346 2.431 753 HB3 SER 99 2HB SER 99 -7.623 -8.122 1.015 754 HG SER 99 HG SER 99 -6.370 -6.449 0.922 755 HA PRO 100 HA PRO 100 -11.321 -3.281 0.911 756 HB2 PRO 100 1HB PRO 100 -11.399 -2.617 3.542 757 HB3 PRO 100 2HB PRO 100 -12.612 -3.649 2.775 758 HG2 PRO 100 1HG PRO 100 -10.239 -4.422 4.428 759 HG3 PRO 100 2HG PRO 100 -11.892 -5.063 4.474 760 HD2 PRO 100 1HD PRO 100 -9.866 -6.344 3.213 761 HD3 PRO 100 2HD PRO 100 -11.547 -6.428 2.648 762 H THR 101 H THR 101 -10.383 -1.309 0.721 763 HA THR 101 HA THR 101 -7.599 -1.039 0.905 764 HB THR 101 HB THR 101 -7.965 1.369 0.492 765 HG1 THR 101 1HG THR 101 -9.964 1.428 1.788 766 HG21 THR 101 3HG2 THR 101 -8.032 -0.270 -1.366 767 HG22 THR 101 1HG2 THR 101 -9.033 1.150 -1.670 768 HG23 THR 101 2HG2 THR 101 -9.783 -0.369 -1.180 769 H GLN 102 H GLN 102 -6.549 0.837 2.134 770 HA GLN 102 HA GLN 102 -7.616 1.019 4.867 771 HB2 GLN 102 1HB GLN 102 -4.738 0.472 4.121 772 HB3 GLN 102 2HB GLN 102 -5.329 0.759 5.752 773 HG2 GLN 102 1HG GLN 102 -6.043 -1.555 3.966 774 HG3 GLN 102 2HG GLN 102 -5.001 -1.599 5.388 775 HE21 GLN 102 1HE2 GLN 102 -7.934 -2.430 4.348 776 HE22 GLN 102 2HE2 GLN 102 -8.839 -2.314 5.814 777 H SER 103 H SER 103 -7.602 3.009 5.715 778 HA SER 103 HA SER 103 -7.041 5.262 4.150 779 HB2 SER 103 1HB SER 103 -8.543 5.014 6.260 780 HB3 SER 103 2HB SER 103 -7.067 5.380 7.154 781 HG SER 103 HG SER 103 -6.930 7.280 5.728 782 H PHE 104 H PHE 104 -5.151 6.069 3.561 783 HA PHE 104 HA PHE 104 -2.938 6.071 5.484 784 HB2 PHE 104 1HB PHE 104 -2.844 4.176 3.686 785 HB3 PHE 104 2HB PHE 104 -2.377 5.478 2.598 786 HD1 PHE 104 2HD PHE 104 -1.475 3.966 5.876 787 HD2 PHE 104 1HD PHE 104 -0.156 6.082 2.427 788 HE1 PHE 104 2HE PHE 104 0.851 3.773 6.651 789 HE2 PHE 104 1HE PHE 104 2.173 5.891 3.196 790 HZ PHE 104 HZ PHE 104 2.679 4.736 5.312 791 H ARG 105 H ARG 105 -1.245 7.631 4.952 792 HA ARG 105 HA ARG 105 -1.844 9.649 2.967 793 HB2 ARG 105 1HB ARG 105 -3.217 10.248 4.997 794 HB3 ARG 105 2HB ARG 105 -1.707 10.461 5.872 795 HG2 ARG 105 1HG ARG 105 -1.055 12.171 4.176 796 HG3 ARG 105 2HG ARG 105 -2.680 12.035 3.502 797 HD2 ARG 105 1HD ARG 105 -2.358 12.549 6.420 798 HD3 ARG 105 2HD ARG 105 -2.104 13.875 5.286 799 HE ARG 105 HE ARG 105 -4.606 12.654 5.993 800 HH11 ARG 105 1HH1 ARG 105 -2.887 14.443 3.550 801 HH12 ARG 105 2HH1 ARG 105 -4.321 15.117 2.849 802 HH21 ARG 105 1HH2 ARG 105 -6.501 13.536 5.079 803 HH22 ARG 105 2HH2 ARG 105 -6.376 14.601 3.720 804 H PHE 106 H PHE 106 -0.023 10.544 2.204 805 HA PHE 106 HA PHE 106 2.495 9.755 3.429 806 HB2 PHE 106 1HB PHE 106 1.943 11.182 0.819 807 HB3 PHE 106 2HB PHE 106 3.517 10.603 1.353 808 HD1 PHE 106 1HD PHE 106 3.243 7.982 2.240 809 HD2 PHE 106 2HD PHE 106 1.050 9.912 -0.856 810 HE1 PHE 106 1HE PHE 106 2.792 5.797 1.202 811 HE2 PHE 106 2HE PHE 106 0.595 7.730 -1.898 812 HZ PHE 106 HZ PHE 106 1.466 5.669 -0.869 813 H LEU 107 H LEU 107 4.121 11.195 4.046 814 HA LEU 107 HA LEU 107 3.220 13.968 4.473 815 HB2 LEU 107 1HB LEU 107 5.145 12.421 6.198 816 HB3 LEU 107 2HB LEU 107 4.477 14.021 6.517 817 HG LEU 107 HG LEU 107 2.831 11.496 6.423 818 HD11 LEU 107 1HD1 LEU 107 4.523 11.470 8.241 819 HD12 LEU 107 2HD1 LEU 107 2.858 11.497 8.819 820 HD13 LEU 107 3HD1 LEU 107 3.827 12.970 8.855 821 HD21 LEU 107 3HD2 LEU 107 2.246 14.295 7.381 822 HD22 LEU 107 1HD2 LEU 107 1.180 12.907 7.600 823 HD23 LEU 107 2HD2 LEU 107 1.545 13.490 5.976 824 HA PRO 108 HA PRO 108 6.706 15.258 2.111 825 HB2 PRO 108 1HB PRO 108 6.928 17.798 3.044 826 HB3 PRO 108 2HB PRO 108 5.645 17.289 1.939 827 HG2 PRO 108 1HG PRO 108 5.557 17.642 4.911 828 HG3 PRO 108 2HG PRO 108 4.364 18.125 3.691 829 HD2 PRO 108 1HD PRO 108 4.085 15.892 5.197 830 HD3 PRO 108 2HD PRO 108 3.481 16.002 3.531 831 H VAL 109 H VAL 109 8.851 15.055 2.338 832 HA VAL 109 HA VAL 109 9.964 14.787 5.001 833 HB VAL 109 HB VAL 109 11.259 14.431 2.294 834 HG11 VAL 109 1HG1 VAL 109 13.213 14.354 3.342 835 HG12 VAL 109 2HG1 VAL 109 12.418 14.695 4.880 836 HG13 VAL 109 3HG1 VAL 109 12.620 13.028 4.342 837 HG21 VAL 109 3HG2 VAL 109 10.667 12.196 4.175 838 HG22 VAL 109 1HG2 VAL 109 9.359 12.855 3.191 839 HG23 VAL 109 2HG2 VAL 109 10.795 12.186 2.416 840 H ILE 110 H ILE 110 10.447 16.837 2.148 841 HA ILE 110 HA ILE 110 11.868 18.653 1.868 842 HB ILE 110 HB ILE 110 10.241 19.489 4.272 843 HG12 ILE 110 1HG1 ILE 110 9.621 19.817 1.330 844 HG13 ILE 110 2HG1 ILE 110 8.903 18.588 2.366 845 HG21 ILE 110 1HG2 ILE 110 10.811 21.546 2.333 846 HG22 ILE 110 2HG2 ILE 110 11.112 21.524 4.070 847 HG23 ILE 110 3HG2 ILE 110 12.297 20.834 2.961 848 HD11 ILE 110 3HD1 ILE 110 7.319 20.018 2.921 849 HD12 ILE 110 1HD1 ILE 110 8.533 21.074 3.643 850 HD13 ILE 110 2HD1 ILE 110 8.085 21.274 1.948 851 H CYS 111 H CYS 111 13.444 16.849 3.068 852 HA CYS 111 HA CYS 111 14.491 17.587 5.582 853 HB2 CYS 111 1HB CYS 111 16.296 16.075 5.104 854 HB3 CYS 111 2HB CYS 111 14.816 15.368 4.466 855 HG CYS 111 HG CYS 111 16.026 17.074 2.020 856 H LYS 112 H LYS 112 16.681 18.422 5.982 857 HA LYS 112 HA LYS 112 17.331 20.584 4.091 858 HB2 LYS 112 1HB LYS 112 18.447 21.625 6.137 859 HB3 LYS 112 2HB LYS 112 16.689 21.580 6.128 860 HG2 LYS 112 1HG LYS 112 16.693 19.670 7.608 861 HG3 LYS 112 2HG LYS 112 18.456 19.604 7.558 862 HD2 LYS 112 1HD LYS 112 18.634 21.709 8.681 863 HD3 LYS 112 2HD LYS 112 16.896 21.985 8.551 864 HE2 LYS 112 1HE LYS 112 18.150 19.712 10.084 865 HE3 LYS 112 2HE LYS 112 17.647 21.239 10.807 866 HZ1 LYS 112 3HZ LYS 112 15.647 20.346 11.042 867 HZ2 LYS 112 1HZ LYS 112 16.078 18.970 10.156 868 HZ3 LYS 112 2HZ LYS 112 15.481 20.337 9.358 869 H GLU 113 H GLU 113 19.143 20.336 2.977 870 HA GLU 113 HA GLU 113 21.001 18.259 3.504 871 HB2 GLU 113 1HB GLU 113 22.271 19.165 1.639 872 HB3 GLU 113 2HB GLU 113 20.559 19.121 1.240 873 HG2 GLU 113 1HG GLU 113 21.093 21.190 0.467 874 HG3 GLU 113 2HG GLU 113 20.624 21.595 2.117 875 H GLU 114 H GLU 114 21.005 21.734 4.105 876 HA GLU 114 HA GLU 114 23.678 22.013 4.892 877 HB2 GLU 114 1HB GLU 114 22.060 23.876 4.423 878 HB3 GLU 114 2HB GLU 114 21.326 23.560 5.989 879 HG2 GLU 114 1HG GLU 114 23.606 23.960 6.996 880 HG3 GLU 114 2HG GLU 114 24.097 24.561 5.413 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -24.738 -15.406 6.147 2 HA2 GLY 1 1HA GLY 1 -26.232 -17.896 6.003 3 HA3 GLY 1 2HA GLY 1 -25.583 -17.317 4.476 4 H SER 2 H SER 2 -25.011 -19.432 6.854 5 HA SER 2 HA SER 2 -22.088 -19.108 6.764 6 HB2 SER 2 1HB SER 2 -23.896 -20.534 8.716 7 HB3 SER 2 2HB SER 2 -22.150 -20.785 8.688 8 HG SER 2 HG SER 2 -23.354 -18.947 10.001 9 H SER 3 H SER 3 -21.070 -20.338 5.341 10 HA SER 3 HA SER 3 -22.264 -22.923 4.592 11 HB2 SER 3 1HB SER 3 -20.584 -20.956 3.056 12 HB3 SER 3 2HB SER 3 -20.691 -22.643 2.552 13 HG SER 3 HG SER 3 -22.657 -20.653 2.565 14 H GLY 4 H GLY 4 -19.050 -21.381 4.832 15 HA2 GLY 4 1HA GLY 4 -18.057 -23.593 6.406 16 HA3 GLY 4 2HA GLY 4 -17.397 -23.521 4.778 17 H SER 5 H SER 5 -16.217 -21.602 4.152 18 HA SER 5 HA SER 5 -15.494 -19.612 6.047 19 HB2 SER 5 1HB SER 5 -13.121 -20.263 6.337 20 HB3 SER 5 2HB SER 5 -14.223 -21.439 7.054 21 HG SER 5 HG SER 5 -13.382 -22.875 5.791 22 H SER 6 H SER 6 -15.053 -17.875 4.875 23 HA SER 6 HA SER 6 -14.498 -18.114 2.058 24 HB2 SER 6 1HB SER 6 -15.167 -15.896 3.932 25 HB3 SER 6 2HB SER 6 -14.321 -15.477 2.442 26 HG SER 6 HG SER 6 -16.698 -15.506 2.368 27 H GLY 7 H GLY 7 -12.649 -17.475 0.973 28 HA2 GLY 7 1HA GLY 7 -10.228 -17.452 2.621 29 HA3 GLY 7 2HA GLY 7 -10.300 -17.767 0.894 30 H LEU 8 H LEU 8 -11.723 -15.058 2.670 31 HA LEU 8 HA LEU 8 -10.462 -13.203 0.841 32 HB2 LEU 8 1HB LEU 8 -12.280 -12.691 3.190 33 HB3 LEU 8 2HB LEU 8 -11.789 -11.503 1.985 34 HG LEU 8 HG LEU 8 -13.340 -13.972 1.254 35 HD11 LEU 8 1HD1 LEU 8 -14.889 -11.530 1.354 36 HD12 LEU 8 2HD1 LEU 8 -14.286 -11.993 2.944 37 HD13 LEU 8 3HD1 LEU 8 -15.254 -13.128 2.005 38 HD21 LEU 8 3HD2 LEU 8 -12.662 -11.372 -0.074 39 HD22 LEU 8 1HD2 LEU 8 -14.055 -12.326 -0.587 40 HD23 LEU 8 2HD2 LEU 8 -12.434 -13.018 -0.667 41 HA PRO 9 HA PRO 9 -7.011 -12.248 3.411 42 HB2 PRO 9 1HB PRO 9 -6.376 -9.831 2.351 43 HB3 PRO 9 2HB PRO 9 -6.050 -11.358 1.523 44 HG2 PRO 9 1HG PRO 9 -8.306 -9.431 1.125 45 HG3 PRO 9 2HG PRO 9 -7.341 -10.290 -0.090 46 HD2 PRO 9 1HD PRO 9 -9.815 -11.107 0.649 47 HD3 PRO 9 2HD PRO 9 -8.543 -12.242 0.152 48 H GLN 10 H GLN 10 -6.768 -11.347 5.370 49 HA GLN 10 HA GLN 10 -8.609 -9.175 6.121 50 HB2 GLN 10 1HB GLN 10 -8.979 -11.322 7.307 51 HB3 GLN 10 2HB GLN 10 -7.334 -11.240 7.923 52 HG2 GLN 10 1HG GLN 10 -7.905 -9.127 9.062 53 HG3 GLN 10 2HG GLN 10 -9.569 -9.314 8.511 54 HE21 GLN 10 1HE2 GLN 10 -8.688 -9.144 11.212 55 HE22 GLN 10 2HE2 GLN 10 -9.111 -10.628 11.988 56 H VAL 11 H VAL 11 -7.837 -7.471 7.395 57 HA VAL 11 HA VAL 11 -4.910 -7.292 7.660 58 HB VAL 11 HB VAL 11 -6.733 -5.077 6.709 59 HG11 VAL 11 1HG1 VAL 11 -3.760 -4.881 6.716 60 HG12 VAL 11 2HG1 VAL 11 -4.976 -3.606 6.815 61 HG13 VAL 11 3HG1 VAL 11 -4.634 -4.612 8.224 62 HG21 VAL 11 3HG2 VAL 11 -6.392 -5.927 4.681 63 HG22 VAL 11 1HG2 VAL 11 -4.685 -5.522 4.867 64 HG23 VAL 11 2HG2 VAL 11 -5.263 -7.127 5.311 65 H GLU 12 H GLU 12 -5.043 -7.748 9.870 66 HA GLU 12 HA GLU 12 -6.776 -6.600 11.713 67 HB2 GLU 12 1HB GLU 12 -4.912 -8.469 11.929 68 HB3 GLU 12 2HB GLU 12 -3.949 -7.119 12.514 69 HG2 GLU 12 1HG GLU 12 -5.703 -6.665 14.204 70 HG3 GLU 12 2HG GLU 12 -6.542 -8.118 13.665 71 H ALA 13 H ALA 13 -3.381 -5.630 11.191 72 HA ALA 13 HA ALA 13 -4.126 -2.831 11.384 73 HB1 ALA 13 3HB ALA 13 -2.346 -2.463 13.160 74 HB2 ALA 13 1HB ALA 13 -3.857 -3.203 13.690 75 HB3 ALA 13 2HB ALA 13 -2.423 -4.202 13.445 76 H TYR 14 H TYR 14 -2.373 -1.385 10.814 77 HA TYR 14 HA TYR 14 -0.080 -2.670 9.514 78 HB2 TYR 14 1HB TYR 14 -0.385 -1.085 7.572 79 HB3 TYR 14 2HB TYR 14 -1.590 -2.363 7.691 80 HD1 TYR 14 2HD TYR 14 -3.886 -1.839 8.417 81 HD2 TYR 14 1HD TYR 14 -0.988 1.223 7.838 82 HE1 TYR 14 2HE TYR 14 -5.680 -0.157 8.374 83 HE2 TYR 14 1HE TYR 14 -2.774 2.913 7.795 84 HH TYR 14 HH TYR 14 -5.705 2.519 8.941 85 H SER 15 H SER 15 1.798 -1.619 9.798 86 HA SER 15 HA SER 15 1.910 1.209 10.323 87 HB2 SER 15 1HB SER 15 1.353 0.495 12.559 88 HB3 SER 15 2HB SER 15 2.577 -0.774 12.509 89 HG SER 15 HG SER 15 4.145 0.937 12.305 90 HA PRO 16 HA PRO 16 3.441 2.657 11.061 91 HB2 PRO 16 1HB PRO 16 4.656 4.399 9.370 92 HB3 PRO 16 2HB PRO 16 5.466 3.704 10.778 93 HG2 PRO 16 1HG PRO 16 5.635 2.889 7.903 94 HG3 PRO 16 2HG PRO 16 6.934 3.044 9.100 95 HD2 PRO 16 1HD PRO 16 5.854 0.655 8.423 96 HD3 PRO 16 2HD PRO 16 6.472 0.996 10.051 97 H SER 17 H SER 17 1.699 3.882 10.474 98 HA SER 17 HA SER 17 0.425 3.192 7.949 99 HB2 SER 17 1HB SER 17 -1.561 4.303 8.899 100 HB3 SER 17 2HB SER 17 -0.916 3.087 10.002 101 HG SER 17 HG SER 17 0.172 4.849 11.080 102 H ALA 18 H ALA 18 2.775 5.012 8.118 103 HA ALA 18 HA ALA 18 1.899 6.937 6.228 104 HB1 ALA 18 3HB ALA 18 2.954 8.632 8.253 105 HB2 ALA 18 1HB ALA 18 1.365 8.679 7.489 106 HB3 ALA 18 2HB ALA 18 1.618 7.706 8.938 107 H CYS 19 H CYS 19 3.570 7.400 4.945 108 HA CYS 19 HA CYS 19 6.283 7.358 6.053 109 HB2 CYS 19 1HB CYS 19 5.666 5.130 4.979 110 HB3 CYS 19 2HB CYS 19 5.618 5.993 3.447 111 HG CYS 19 HG CYS 19 8.046 5.103 3.104 112 H SER 20 H SER 20 7.893 8.233 4.437 113 HA SER 20 HA SER 20 6.923 10.747 3.469 114 HB2 SER 20 1HB SER 20 9.649 9.461 3.182 115 HB3 SER 20 2HB SER 20 9.269 11.141 2.807 116 HG SER 20 HG SER 20 8.594 10.205 5.343 117 H VAL 21 H VAL 21 6.514 11.393 1.423 118 HA VAL 21 HA VAL 21 5.579 9.805 -0.529 119 HB VAL 21 HB VAL 21 6.420 11.567 -2.203 120 HG11 VAL 21 1HG1 VAL 21 4.990 13.225 -0.378 121 HG12 VAL 21 2HG1 VAL 21 4.400 12.404 -1.825 122 HG13 VAL 21 3HG1 VAL 21 4.362 11.581 -0.265 123 HG21 VAL 21 3HG2 VAL 21 7.775 12.399 0.263 124 HG22 VAL 21 1HG2 VAL 21 8.164 12.747 -1.422 125 HG23 VAL 21 2HG2 VAL 21 6.932 13.694 -0.587 126 H ARG 22 H ARG 22 8.984 10.573 -0.007 127 HA ARG 22 HA ARG 22 10.056 9.466 -2.328 128 HB2 ARG 22 1HB ARG 22 11.239 9.580 0.452 129 HB3 ARG 22 2HB ARG 22 12.145 9.203 -1.007 130 HG2 ARG 22 1HG ARG 22 10.631 11.773 -0.671 131 HG3 ARG 22 2HG ARG 22 12.304 11.574 -0.147 132 HD2 ARG 22 1HD ARG 22 11.454 10.892 -2.940 133 HD3 ARG 22 2HD ARG 22 11.855 12.548 -2.488 134 HE ARG 22 HE ARG 22 14.084 11.926 -2.242 135 HH11 ARG 22 1HH1 ARG 22 12.079 9.180 -2.987 136 HH12 ARG 22 2HH1 ARG 22 13.413 8.147 -3.381 137 HH21 ARG 22 1HH2 ARG 22 15.849 10.577 -2.757 138 HH22 ARG 22 2HH2 ARG 22 15.558 8.943 -3.249 139 H GLY 23 H GLY 23 9.318 7.937 0.789 140 HA2 GLY 23 1HA GLY 23 8.758 5.728 1.210 141 HA3 GLY 23 2HA GLY 23 8.956 5.387 -0.503 142 H GLY 24 H GLY 24 10.061 3.449 -0.028 143 HA2 GLY 24 1HA GLY 24 12.089 2.317 -0.049 144 HA3 GLY 24 2HA GLY 24 12.903 3.829 0.324 145 H GLU 25 H GLU 25 10.256 2.421 2.171 146 HA GLU 25 HA GLU 25 12.150 1.922 4.372 147 HB2 GLU 25 1HB GLU 25 9.469 3.269 4.395 148 HB3 GLU 25 2HB GLU 25 10.061 2.453 5.836 149 HG2 GLU 25 1HG GLU 25 11.786 4.455 4.453 150 HG3 GLU 25 2HG GLU 25 10.480 4.993 5.508 151 H GLU 26 H GLU 26 11.107 0.465 6.093 152 HA GLU 26 HA GLU 26 10.038 -1.867 4.697 153 HB2 GLU 26 1HB GLU 26 11.974 -2.294 6.062 154 HB3 GLU 26 2HB GLU 26 11.225 -1.520 7.452 155 HG2 GLU 26 1HG GLU 26 9.546 -3.291 7.536 156 HG3 GLU 26 2HG GLU 26 10.299 -4.068 6.144 157 H LEU 27 H LEU 27 7.897 -1.990 4.581 158 HA LEU 27 HA LEU 27 6.306 -1.105 6.895 159 HB2 LEU 27 1HB LEU 27 5.736 0.153 4.958 160 HB3 LEU 27 2HB LEU 27 5.634 -1.302 3.968 161 HG LEU 27 HG LEU 27 3.620 -1.983 5.195 162 HD11 LEU 27 1HD1 LEU 27 2.701 -0.826 6.941 163 HD12 LEU 27 2HD1 LEU 27 3.441 0.702 6.466 164 HD13 LEU 27 3HD1 LEU 27 4.415 -0.544 7.245 165 HD21 LEU 27 3HD2 LEU 27 3.714 0.681 3.832 166 HD22 LEU 27 1HD2 LEU 27 2.193 0.040 4.453 167 HD23 LEU 27 2HD2 LEU 27 3.096 -0.860 3.234 168 H VAL 28 H VAL 28 5.069 -2.531 7.958 169 HA VAL 28 HA VAL 28 4.877 -5.258 6.855 170 HB VAL 28 HB VAL 28 4.888 -4.407 9.755 171 HG11 VAL 28 1HG1 VAL 28 3.694 -6.309 9.968 172 HG12 VAL 28 2HG1 VAL 28 4.204 -6.932 8.398 173 HG13 VAL 28 3HG1 VAL 28 5.273 -7.074 9.794 174 HG21 VAL 28 3HG2 VAL 28 7.104 -4.465 9.575 175 HG22 VAL 28 1HG2 VAL 28 6.978 -6.189 9.225 176 HG23 VAL 28 2HG2 VAL 28 7.006 -5.021 7.905 177 H LEU 29 H LEU 29 2.925 -6.299 6.849 178 HA LEU 29 HA LEU 29 0.596 -4.719 7.723 179 HB2 LEU 29 1HB LEU 29 0.821 -6.582 5.364 180 HB3 LEU 29 2HB LEU 29 -0.660 -5.784 5.890 181 HG LEU 29 HG LEU 29 1.711 -4.116 5.182 182 HD11 LEU 29 1HD1 LEU 29 -0.127 -4.636 2.970 183 HD12 LEU 29 2HD1 LEU 29 0.876 -6.016 3.413 184 HD13 LEU 29 3HD1 LEU 29 1.630 -4.482 2.978 185 HD21 LEU 29 3HD2 LEU 29 -0.360 -2.812 4.211 186 HD22 LEU 29 1HD2 LEU 29 0.029 -2.759 5.931 187 HD23 LEU 29 2HD2 LEU 29 -1.247 -3.829 5.348 188 H THR 30 H THR 30 -0.413 -5.620 9.380 189 HA THR 30 HA THR 30 -0.070 -8.453 9.944 190 HB THR 30 HB THR 30 -1.573 -6.377 11.549 191 HG1 THR 30 1HG THR 30 0.343 -5.725 12.138 192 HG21 THR 30 3HG2 THR 30 -1.704 -9.091 11.774 193 HG22 THR 30 1HG2 THR 30 -1.964 -7.961 13.102 194 HG23 THR 30 2HG2 THR 30 -0.382 -8.709 12.877 195 H GLY 31 H GLY 31 -1.626 -9.987 9.800 196 HA2 GLY 31 1HA GLY 31 -4.382 -9.609 9.810 197 HA3 GLY 31 2HA GLY 31 -3.869 -9.515 8.132 198 H SER 32 H SER 32 -5.042 -11.394 7.617 199 HA SER 32 HA SER 32 -3.565 -13.833 8.087 200 HB2 SER 32 1HB SER 32 -5.419 -13.413 9.948 201 HB3 SER 32 2HB SER 32 -6.477 -14.062 8.696 202 HG SER 32 HG SER 32 -4.373 -15.631 8.776 203 H ASN 33 H ASN 33 -4.739 -15.714 6.922 204 HA ASN 33 HA ASN 33 -5.379 -16.592 4.923 205 HB2 ASN 33 1HB ASN 33 -7.290 -14.271 5.166 206 HB3 ASN 33 2HB ASN 33 -7.369 -15.415 3.829 207 HD21 ASN 33 1HD2 ASN 33 -9.437 -16.055 4.486 208 HD22 ASN 33 2HD2 ASN 33 -9.672 -17.094 5.846 209 H PHE 34 H PHE 34 -3.071 -15.184 4.727 210 HA PHE 34 HA PHE 34 -3.314 -13.471 2.365 211 HB2 PHE 34 1HB PHE 34 -1.043 -13.982 4.288 212 HB3 PHE 34 2HB PHE 34 -0.849 -13.050 2.807 213 HD1 PHE 34 1HD PHE 34 -3.320 -11.497 2.716 214 HD2 PHE 34 2HD PHE 34 -0.815 -12.468 6.018 215 HE1 PHE 34 1HE PHE 34 -4.086 -9.474 3.888 216 HE2 PHE 34 2HE PHE 34 -1.578 -10.447 7.195 217 HZ PHE 34 HZ PHE 34 -3.216 -8.947 6.131 218 H LEU 35 H LEU 35 -1.347 -13.742 0.809 219 HA LEU 35 HA LEU 35 -1.097 -16.612 0.190 220 HB2 LEU 35 1HB LEU 35 -1.256 -14.236 -1.655 221 HB3 LEU 35 2HB LEU 35 -0.832 -15.863 -2.184 222 HG LEU 35 HG LEU 35 -3.412 -15.458 -0.748 223 HD11 LEU 35 1HD1 LEU 35 -2.799 -14.554 -3.540 224 HD12 LEU 35 2HD1 LEU 35 -3.663 -13.700 -2.262 225 HD13 LEU 35 3HD1 LEU 35 -4.417 -15.074 -3.070 226 HD21 LEU 35 3HD2 LEU 35 -2.322 -17.307 -2.847 227 HD22 LEU 35 1HD2 LEU 35 -4.051 -17.186 -2.518 228 HD23 LEU 35 2HD2 LEU 35 -2.945 -17.697 -1.243 229 HA PRO 36 HA PRO 36 3.274 -16.252 0.416 230 HB2 PRO 36 1HB PRO 36 4.024 -18.125 -1.400 231 HB3 PRO 36 2HB PRO 36 3.345 -18.536 0.180 232 HG2 PRO 36 1HG PRO 36 1.998 -18.432 -2.492 233 HG3 PRO 36 2HG PRO 36 1.844 -19.645 -1.208 234 HD2 PRO 36 1HD PRO 36 0.008 -17.693 -1.596 235 HD3 PRO 36 2HD PRO 36 0.376 -18.351 0.011 236 H ASP 37 H ASP 37 1.563 -15.584 -2.474 237 HA ASP 37 HA ASP 37 3.871 -14.077 -3.488 238 HB2 ASP 37 1HB ASP 37 3.423 -16.288 -4.732 239 HB3 ASP 37 2HB ASP 37 1.981 -15.492 -5.356 240 H SER 38 H SER 38 1.267 -13.518 -2.019 241 HA SER 38 HA SER 38 -0.635 -12.271 -3.545 242 HB2 SER 38 1HB SER 38 -0.372 -12.535 -0.934 243 HB3 SER 38 2HB SER 38 0.278 -10.899 -1.046 244 HG SER 38 HG SER 38 -2.283 -11.807 -1.854 245 H LYS 39 H LYS 39 -0.999 -9.795 -3.563 246 HA LYS 39 HA LYS 39 1.476 -8.369 -4.229 247 HB2 LYS 39 1HB LYS 39 0.530 -9.249 -6.331 248 HB3 LYS 39 2HB LYS 39 -0.988 -8.433 -5.982 249 HG2 LYS 39 1HG LYS 39 -0.101 -6.331 -6.382 250 HG3 LYS 39 2HG LYS 39 1.561 -6.879 -6.148 251 HD2 LYS 39 1HD LYS 39 1.470 -6.670 -8.441 252 HD3 LYS 39 2HD LYS 39 1.053 -8.373 -8.232 253 HE2 LYS 39 1HE LYS 39 -1.044 -6.228 -8.374 254 HE3 LYS 39 2HE LYS 39 -0.385 -6.980 -9.826 255 HZ1 LYS 39 3HZ LYS 39 -0.990 -9.152 -8.514 256 HZ2 LYS 39 1HZ LYS 39 -2.152 -8.334 -9.433 257 HZ3 LYS 39 2HZ LYS 39 -2.104 -8.129 -7.755 258 H VAL 40 H VAL 40 1.305 -6.067 -4.152 259 HA VAL 40 HA VAL 40 -1.121 -5.029 -2.858 260 HB VAL 40 HB VAL 40 1.701 -4.484 -1.925 261 HG11 VAL 40 1HG1 VAL 40 -0.153 -2.624 -1.891 262 HG12 VAL 40 2HG1 VAL 40 -0.724 -3.525 -0.486 263 HG13 VAL 40 3HG1 VAL 40 0.911 -2.865 -0.506 264 HG21 VAL 40 3HG2 VAL 40 0.432 -5.402 0.245 265 HG22 VAL 40 1HG2 VAL 40 -0.455 -6.284 -0.999 266 HG23 VAL 40 2HG2 VAL 40 1.297 -6.454 -0.876 267 H VAL 41 H VAL 41 -1.890 -3.484 -4.128 268 HA VAL 41 HA VAL 41 0.021 -1.715 -5.513 269 HB VAL 41 HB VAL 41 -1.591 -1.396 -7.276 270 HG11 VAL 41 1HG1 VAL 41 -0.081 -3.372 -7.355 271 HG12 VAL 41 2HG1 VAL 41 -1.398 -4.350 -6.705 272 HG13 VAL 41 3HG1 VAL 41 -1.569 -3.574 -8.280 273 HG21 VAL 41 3HG2 VAL 41 -3.632 -1.500 -5.952 274 HG22 VAL 41 1HG2 VAL 41 -3.723 -2.611 -7.319 275 HG23 VAL 41 2HG2 VAL 41 -3.398 -3.230 -5.700 276 H PHE 42 H PHE 42 -0.432 0.496 -5.602 277 HA PHE 42 HA PHE 42 -2.246 1.423 -3.494 278 HB2 PHE 42 1HB PHE 42 0.194 2.594 -4.793 279 HB3 PHE 42 2HB PHE 42 -0.945 3.635 -3.946 280 HD1 PHE 42 2HD PHE 42 0.550 0.279 -3.272 281 HD2 PHE 42 1HD PHE 42 -0.191 4.229 -1.871 282 HE1 PHE 42 2HE PHE 42 1.637 -0.278 -1.137 283 HE2 PHE 42 1HE PHE 42 0.897 3.679 0.266 284 HZ PHE 42 HZ PHE 42 1.812 1.422 0.636 285 H ILE 43 H ILE 43 -3.214 3.663 -3.955 286 HA ILE 43 HA ILE 43 -3.939 4.077 -6.743 287 HB ILE 43 HB ILE 43 -6.356 4.138 -6.243 288 HG12 ILE 43 1HG1 ILE 43 -5.685 2.734 -3.658 289 HG13 ILE 43 2HG1 ILE 43 -5.976 4.468 -3.744 290 HG21 ILE 43 1HG2 ILE 43 -6.622 1.626 -5.968 291 HG22 ILE 43 2HG2 ILE 43 -5.609 2.175 -7.302 292 HG23 ILE 43 3HG2 ILE 43 -4.866 1.563 -5.824 293 HD11 ILE 43 3HD1 ILE 43 -8.214 3.941 -4.735 294 HD12 ILE 43 1HD1 ILE 43 -7.903 2.248 -4.355 295 HD13 ILE 43 2HD1 ILE 43 -7.993 3.441 -3.059 296 H GLU 44 H GLU 44 -5.025 6.114 -7.113 297 HA GLU 44 HA GLU 44 -4.932 8.013 -4.885 298 HB2 GLU 44 1HB GLU 44 -2.809 8.374 -5.888 299 HB3 GLU 44 2HB GLU 44 -3.482 8.296 -7.511 300 HG2 GLU 44 1HG GLU 44 -4.828 10.377 -6.818 301 HG3 GLU 44 2HG GLU 44 -3.659 10.506 -5.505 302 H ARG 45 H ARG 45 -6.621 9.363 -4.852 303 HA ARG 45 HA ARG 45 -8.534 9.211 -7.048 304 HB2 ARG 45 1HB ARG 45 -8.723 10.297 -4.239 305 HB3 ARG 45 2HB ARG 45 -10.013 10.471 -5.422 306 HG2 ARG 45 1HG ARG 45 -10.580 8.265 -5.339 307 HG3 ARG 45 2HG ARG 45 -8.948 7.748 -4.908 308 HD2 ARG 45 1HD ARG 45 -9.251 8.195 -2.673 309 HD3 ARG 45 2HD ARG 45 -10.495 9.407 -2.976 310 HE ARG 45 HE ARG 45 -10.870 6.560 -2.686 311 HH11 ARG 45 1HH1 ARG 45 -12.206 9.554 -3.856 312 HH12 ARG 45 2HH1 ARG 45 -13.843 8.989 -3.818 313 HH21 ARG 45 1HH2 ARG 45 -13.021 5.805 -2.632 314 HH22 ARG 45 2HH2 ARG 45 -14.306 6.857 -3.120 315 H GLY 46 H GLY 46 -9.129 10.907 -8.315 316 HA2 GLY 46 1HA GLY 46 -7.543 13.373 -7.990 317 HA3 GLY 46 2HA GLY 46 -8.156 12.768 -9.522 318 HA PRO 47 HA PRO 47 -11.050 15.944 -7.476 319 HB2 PRO 47 1HB PRO 47 -10.501 18.063 -9.081 320 HB3 PRO 47 2HB PRO 47 -9.639 17.754 -7.569 321 HG2 PRO 47 1HG PRO 47 -8.816 17.134 -10.380 322 HG3 PRO 47 2HG PRO 47 -7.850 17.805 -9.054 323 HD2 PRO 47 1HD PRO 47 -7.734 15.195 -9.765 324 HD3 PRO 47 2HD PRO 47 -7.508 15.739 -8.090 325 H ASP 48 H ASP 48 -10.462 14.438 -10.415 326 HA ASP 48 HA ASP 48 -12.571 15.634 -11.951 327 HB2 ASP 48 1HB ASP 48 -10.787 13.244 -12.313 328 HB3 ASP 48 2HB ASP 48 -12.169 13.494 -13.376 329 H GLY 49 H GLY 49 -12.177 12.646 -10.085 330 HA2 GLY 49 1HA GLY 49 -14.408 12.212 -8.855 331 HA3 GLY 49 2HA GLY 49 -15.032 12.063 -10.491 332 H LYS 50 H LYS 50 -12.352 10.846 -11.265 333 HA LYS 50 HA LYS 50 -12.866 8.163 -10.159 334 HB2 LYS 50 1HB LYS 50 -12.021 7.290 -12.349 335 HB3 LYS 50 2HB LYS 50 -13.539 8.169 -12.458 336 HG2 LYS 50 1HG LYS 50 -12.420 10.105 -13.331 337 HG3 LYS 50 2HG LYS 50 -10.842 9.356 -13.076 338 HD2 LYS 50 1HD LYS 50 -11.463 7.583 -14.680 339 HD3 LYS 50 2HD LYS 50 -12.994 8.412 -14.972 340 HE2 LYS 50 1HE LYS 50 -11.934 10.241 -15.988 341 HE3 LYS 50 2HE LYS 50 -10.356 9.798 -15.340 342 HZ1 LYS 50 3HZ LYS 50 -10.692 7.687 -16.763 343 HZ2 LYS 50 1HZ LYS 50 -10.212 9.122 -17.520 344 HZ3 LYS 50 2HZ LYS 50 -11.826 8.622 -17.602 345 H LEU 51 H LEU 51 -11.114 6.876 -9.636 346 HA LEU 51 HA LEU 51 -8.593 8.320 -9.300 347 HB2 LEU 51 1HB LEU 51 -8.024 6.316 -7.858 348 HB3 LEU 51 2HB LEU 51 -9.306 7.379 -7.280 349 HG LEU 51 HG LEU 51 -10.972 5.742 -8.128 350 HD11 LEU 51 1HD1 LEU 51 -10.164 4.371 -9.715 351 HD12 LEU 51 2HD1 LEU 51 -9.685 3.377 -8.339 352 HD13 LEU 51 3HD1 LEU 51 -8.513 4.454 -9.098 353 HD21 LEU 51 3HD2 LEU 51 -10.934 5.109 -6.002 354 HD22 LEU 51 1HD2 LEU 51 -9.219 5.499 -5.872 355 HD23 LEU 51 2HD2 LEU 51 -9.720 3.899 -6.420 356 H GLN 52 H GLN 52 -6.675 7.662 -10.169 357 HA GLN 52 HA GLN 52 -6.484 5.144 -11.588 358 HB2 GLN 52 1HB GLN 52 -5.549 6.571 -13.611 359 HB3 GLN 52 2HB GLN 52 -7.260 6.188 -13.475 360 HG2 GLN 52 1HG GLN 52 -7.822 8.338 -12.818 361 HG3 GLN 52 2HG GLN 52 -6.175 8.721 -12.320 362 HE21 GLN 52 1HE2 GLN 52 -5.856 10.501 -13.545 363 HE22 GLN 52 2HE2 GLN 52 -5.842 10.500 -15.273 364 H TRP 53 H TRP 53 -4.705 4.425 -10.590 365 HA TRP 53 HA TRP 53 -2.223 5.865 -11.003 366 HB2 TRP 53 1HB TRP 53 -3.230 6.644 -8.787 367 HB3 TRP 53 2HB TRP 53 -2.926 5.012 -8.197 368 HD1 TRP 53 HD TRP 53 -0.395 6.735 -10.486 369 HE1 TRP 53 1HE TRP 53 1.757 7.182 -9.146 370 HE3 TRP 53 3HE TRP 53 -2.049 5.419 -5.832 371 HZ2 TRP 53 2HZ TRP 53 2.637 7.000 -6.471 372 HZ3 TRP 53 3HZ TRP 53 -0.490 5.583 -3.936 373 HH2 TRP 53 HH TRP 53 1.805 6.357 -4.251 374 H GLU 54 H GLU 54 -0.961 4.374 -11.888 375 HA GLU 54 HA GLU 54 -1.189 1.593 -10.964 376 HB2 GLU 54 1HB GLU 54 -1.584 2.008 -13.377 377 HB3 GLU 54 2HB GLU 54 0.047 2.649 -13.512 378 HG2 GLU 54 1HG GLU 54 1.010 0.531 -13.045 379 HG3 GLU 54 2HG GLU 54 -0.551 -0.145 -12.584 380 H GLU 55 H GLU 55 0.185 1.453 -9.258 381 HA GLU 55 HA GLU 55 3.028 1.855 -9.847 382 HB2 GLU 55 1HB GLU 55 1.497 3.003 -7.531 383 HB3 GLU 55 2HB GLU 55 3.215 2.661 -7.391 384 HG2 GLU 55 1HG GLU 55 1.969 4.466 -9.451 385 HG3 GLU 55 2HG GLU 55 2.756 4.999 -7.967 386 H GLU 56 H GLU 56 4.416 0.423 -8.842 387 HA GLU 56 HA GLU 56 3.106 -1.786 -7.397 388 HB2 GLU 56 1HB GLU 56 4.146 -2.241 -9.686 389 HB3 GLU 56 2HB GLU 56 5.703 -1.988 -8.912 390 HG2 GLU 56 1HG GLU 56 5.468 -3.876 -7.557 391 HG3 GLU 56 2HG GLU 56 3.734 -3.982 -7.855 392 H ALA 57 H ALA 57 4.113 -2.668 -5.588 393 HA ALA 57 HA ALA 57 6.314 -1.058 -4.468 394 HB1 ALA 57 3HB ALA 57 5.230 -1.948 -2.232 395 HB2 ALA 57 1HB ALA 57 4.632 -0.495 -3.033 396 HB3 ALA 57 2HB ALA 57 3.787 -2.029 -3.243 397 H THR 58 H THR 58 8.076 -2.111 -3.758 398 HA THR 58 HA THR 58 8.530 -4.793 -4.453 399 HB THR 58 HB THR 58 10.060 -3.083 -2.482 400 HG1 THR 58 1HG THR 58 11.373 -2.645 -4.294 401 HG21 THR 58 3HG2 THR 58 11.720 -4.654 -2.431 402 HG22 THR 58 1HG2 THR 58 11.321 -5.288 -4.027 403 HG23 THR 58 2HG2 THR 58 10.331 -5.721 -2.633 404 H VAL 59 H VAL 59 7.477 -6.450 -3.563 405 HA VAL 59 HA VAL 59 6.866 -6.407 -0.699 406 HB VAL 59 HB VAL 59 5.925 -8.302 -2.856 407 HG11 VAL 59 1HG1 VAL 59 5.974 -9.460 -0.760 408 HG12 VAL 59 2HG1 VAL 59 5.205 -8.102 0.064 409 HG13 VAL 59 3HG1 VAL 59 4.299 -9.044 -1.121 410 HG21 VAL 59 3HG2 VAL 59 4.131 -6.426 -1.398 411 HG22 VAL 59 1HG2 VAL 59 5.143 -5.792 -2.696 412 HG23 VAL 59 2HG2 VAL 59 3.991 -7.085 -3.028 413 H ASN 60 H ASN 60 8.169 -7.407 0.675 414 HA ASN 60 HA ASN 60 10.220 -9.202 -0.269 415 HB2 ASN 60 1HB ASN 60 10.278 -7.412 1.685 416 HB3 ASN 60 2HB ASN 60 9.705 -8.775 2.642 417 HD21 ASN 60 1HD2 ASN 60 11.170 -10.099 3.445 418 HD22 ASN 60 2HD2 ASN 60 12.818 -10.213 2.937 419 H ARG 61 H ARG 61 9.202 -11.061 -0.972 420 HA ARG 61 HA ARG 61 7.163 -12.441 0.336 421 HB2 ARG 61 1HB ARG 61 9.300 -13.291 -1.598 422 HB3 ARG 61 2HB ARG 61 8.181 -14.467 -0.922 423 HG2 ARG 61 1HG ARG 61 7.218 -13.863 -2.950 424 HG3 ARG 61 2HG ARG 61 6.331 -12.910 -1.758 425 HD2 ARG 61 1HD ARG 61 7.275 -10.937 -2.431 426 HD3 ARG 61 2HD ARG 61 8.755 -11.713 -2.992 427 HE ARG 61 HE ARG 61 7.784 -12.025 -5.052 428 HH11 ARG 61 1HH1 ARG 61 5.366 -11.041 -2.749 429 HH12 ARG 61 2HH1 ARG 61 4.143 -10.780 -3.948 430 HH21 ARG 61 1HH2 ARG 61 6.181 -11.685 -6.640 431 HH22 ARG 61 2HH2 ARG 61 4.607 -11.148 -6.161 432 H LEU 62 H LEU 62 10.660 -12.601 0.732 433 HA LEU 62 HA LEU 62 10.988 -14.870 2.222 434 HB2 LEU 62 1HB LEU 62 12.297 -12.181 2.570 435 HB3 LEU 62 2HB LEU 62 12.840 -13.645 3.387 436 HG LEU 62 HG LEU 62 12.713 -13.417 0.389 437 HD11 LEU 62 1HD1 LEU 62 15.170 -13.016 0.522 438 HD12 LEU 62 2HD1 LEU 62 14.976 -12.724 2.250 439 HD13 LEU 62 3HD1 LEU 62 14.181 -11.667 1.083 440 HD21 LEU 62 3HD2 LEU 62 14.402 -15.200 2.130 441 HD22 LEU 62 1HD2 LEU 62 14.121 -15.322 0.393 442 HD23 LEU 62 2HD2 LEU 62 12.812 -15.667 1.524 443 H GLN 63 H GLN 63 10.221 -11.641 3.526 444 HA GLN 63 HA GLN 63 9.768 -12.666 6.166 445 HB2 GLN 63 1HB GLN 63 9.370 -9.980 4.873 446 HB3 GLN 63 2HB GLN 63 8.829 -10.297 6.516 447 HG2 GLN 63 1HG GLN 63 11.209 -11.031 6.998 448 HG3 GLN 63 2HG GLN 63 11.630 -10.311 5.445 449 HE21 GLN 63 1HE2 GLN 63 11.057 -9.762 8.732 450 HE22 GLN 63 2HE2 GLN 63 11.147 -8.037 8.712 451 H SER 64 H SER 64 7.704 -11.471 3.540 452 HA SER 64 HA SER 64 5.239 -11.487 4.700 453 HB2 SER 64 1HB SER 64 5.572 -10.840 2.374 454 HB3 SER 64 2HB SER 64 5.951 -12.506 1.938 455 HG SER 64 HG SER 64 3.827 -12.220 1.446 456 H ASN 65 H ASN 65 4.023 -12.933 5.714 457 HA ASN 65 HA ASN 65 4.422 -15.787 5.114 458 HB2 ASN 65 1HB ASN 65 5.473 -15.020 7.303 459 HB3 ASN 65 2HB ASN 65 3.834 -14.736 7.881 460 HD21 ASN 65 1HD2 ASN 65 3.323 -16.294 9.233 461 HD22 ASN 65 2HD2 ASN 65 3.589 -17.983 8.986 462 H GLU 66 H GLU 66 2.537 -17.080 6.225 463 HA GLU 66 HA GLU 66 0.198 -16.571 4.889 464 HB2 GLU 66 1HB GLU 66 0.917 -18.657 6.221 465 HB3 GLU 66 2HB GLU 66 0.183 -17.861 7.607 466 HG2 GLU 66 1HG GLU 66 -1.952 -17.766 6.415 467 HG3 GLU 66 2HG GLU 66 -1.213 -18.585 5.040 468 H VAL 67 H VAL 67 1.211 -15.353 8.024 469 HA VAL 67 HA VAL 67 -1.213 -13.674 8.088 470 HB VAL 67 HB VAL 67 -1.019 -13.611 10.535 471 HG11 VAL 67 1HG1 VAL 67 -2.559 -15.203 9.872 472 HG12 VAL 67 2HG1 VAL 67 -1.332 -16.233 9.133 473 HG13 VAL 67 3HG1 VAL 67 -1.469 -16.145 10.889 474 HG21 VAL 67 3HG2 VAL 67 0.903 -14.146 11.512 475 HG22 VAL 67 1HG2 VAL 67 0.630 -15.830 11.066 476 HG23 VAL 67 2HG2 VAL 67 1.542 -14.770 9.991 477 H THR 68 H THR 68 1.340 -13.102 6.797 478 HA THR 68 HA THR 68 1.801 -10.508 7.991 479 HB THR 68 HB THR 68 4.087 -12.471 7.721 480 HG1 THR 68 1HG THR 68 3.236 -11.145 10.079 481 HG21 THR 68 3HG2 THR 68 4.775 -10.227 7.083 482 HG22 THR 68 1HG2 THR 68 5.461 -10.646 8.652 483 HG23 THR 68 2HG2 THR 68 4.068 -9.568 8.558 484 H LEU 69 H LEU 69 2.524 -9.005 6.532 485 HA LEU 69 HA LEU 69 3.419 -9.913 3.902 486 HB2 LEU 69 1HB LEU 69 0.908 -8.445 4.499 487 HB3 LEU 69 2HB LEU 69 1.811 -7.974 3.061 488 HG LEU 69 HG LEU 69 0.905 -10.798 3.583 489 HD11 LEU 69 1HD1 LEU 69 -0.478 -9.002 1.652 490 HD12 LEU 69 2HD1 LEU 69 -0.903 -8.912 3.361 491 HD13 LEU 69 3HD1 LEU 69 -1.075 -10.435 2.490 492 HD21 LEU 69 3HD2 LEU 69 2.808 -10.191 1.951 493 HD22 LEU 69 1HD2 LEU 69 1.522 -9.535 0.939 494 HD23 LEU 69 2HD2 LEU 69 1.509 -11.241 1.384 495 H THR 70 H THR 70 5.378 -8.994 3.873 496 HA THR 70 HA THR 70 5.700 -6.248 4.833 497 HB THR 70 HB THR 70 7.830 -8.202 3.943 498 HG1 THR 70 1HG THR 70 6.489 -7.834 6.346 499 HG21 THR 70 3HG2 THR 70 7.888 -5.399 4.540 500 HG22 THR 70 1HG2 THR 70 9.209 -6.455 4.041 501 HG23 THR 70 2HG2 THR 70 8.818 -6.280 5.752 502 H LEU 71 H LEU 71 6.147 -4.557 3.530 503 HA LEU 71 HA LEU 71 6.897 -5.024 0.751 504 HB2 LEU 71 1HB LEU 71 5.135 -3.751 -0.176 505 HB3 LEU 71 2HB LEU 71 4.398 -4.939 0.897 506 HG LEU 71 HG LEU 71 4.866 -2.061 1.662 507 HD11 LEU 71 1HD1 LEU 71 2.941 -1.435 0.715 508 HD12 LEU 71 2HD1 LEU 71 2.121 -2.928 1.170 509 HD13 LEU 71 3HD1 LEU 71 3.126 -2.881 -0.278 510 HD21 LEU 71 3HD2 LEU 71 2.857 -2.897 3.202 511 HD22 LEU 71 1HD2 LEU 71 4.550 -3.077 3.665 512 HD23 LEU 71 2HD2 LEU 71 3.678 -4.441 2.964 513 H THR 72 H THR 72 7.256 -2.830 -0.370 514 HA THR 72 HA THR 72 8.578 -1.026 1.550 515 HB THR 72 HB THR 72 9.327 -1.548 -1.334 516 HG1 THR 72 1HG THR 72 10.986 -2.734 -0.504 517 HG21 THR 72 3HG2 THR 72 10.260 0.413 0.706 518 HG22 THR 72 1HG2 THR 72 10.067 0.605 -1.036 519 HG23 THR 72 2HG2 THR 72 11.448 -0.285 -0.394 520 H VAL 73 H VAL 73 7.442 0.777 1.816 521 HA VAL 73 HA VAL 73 5.337 1.770 0.469 522 HB VAL 73 HB VAL 73 7.581 3.420 1.638 523 HG11 VAL 73 1HG1 VAL 73 4.953 4.621 1.713 524 HG12 VAL 73 2HG1 VAL 73 6.479 5.284 1.122 525 HG13 VAL 73 3HG1 VAL 73 5.471 4.303 0.057 526 HG21 VAL 73 3HG2 VAL 73 6.849 2.561 3.563 527 HG22 VAL 73 1HG2 VAL 73 5.382 3.507 3.317 528 HG23 VAL 73 2HG2 VAL 73 5.446 1.826 2.787 529 HA PRO 74 HA PRO 74 6.864 2.610 -3.624 530 HB2 PRO 74 1HB PRO 74 4.554 3.665 -4.582 531 HB3 PRO 74 2HB PRO 74 4.798 1.929 -4.362 532 HG2 PRO 74 1HG PRO 74 3.377 3.881 -2.593 533 HG3 PRO 74 2HG PRO 74 2.897 2.240 -3.060 534 HD2 PRO 74 1HD PRO 74 4.033 2.800 -0.667 535 HD3 PRO 74 2HD PRO 74 4.286 1.256 -1.505 536 H GLU 75 H GLU 75 6.295 4.656 -5.177 537 HA GLU 75 HA GLU 75 6.948 7.044 -3.579 538 HB2 GLU 75 1HB GLU 75 7.982 6.068 -6.216 539 HB3 GLU 75 2HB GLU 75 7.980 7.791 -5.865 540 HG2 GLU 75 1HG GLU 75 9.579 7.609 -4.245 541 HG3 GLU 75 2HG GLU 75 9.157 5.941 -3.860 542 H TYR 76 H TYR 76 5.372 8.490 -3.544 543 HA TYR 76 HA TYR 76 3.057 8.400 -5.088 544 HB2 TYR 76 1HB TYR 76 3.403 9.631 -2.903 545 HB3 TYR 76 2HB TYR 76 4.187 10.903 -3.832 546 HD1 TYR 76 1HD TYR 76 1.144 8.892 -4.610 547 HD2 TYR 76 2HD TYR 76 2.757 12.732 -3.741 548 HE1 TYR 76 1HE TYR 76 -1.050 9.908 -5.060 549 HE2 TYR 76 2HE TYR 76 0.567 13.759 -4.188 550 HH TYR 76 HH TYR 76 -1.581 13.391 -4.642 551 H SER 77 H SER 77 2.266 10.037 -6.623 552 HA SER 77 HA SER 77 4.286 10.541 -8.658 553 HB2 SER 77 1HB SER 77 1.993 9.486 -9.116 554 HB3 SER 77 2HB SER 77 1.334 11.108 -8.906 555 HG SER 77 HG SER 77 2.628 11.805 -10.620 556 H ASN 78 H ASN 78 4.342 12.143 -6.265 557 HA ASN 78 HA ASN 78 4.609 14.707 -7.434 558 HB2 ASN 78 1HB ASN 78 2.031 14.324 -6.952 559 HB3 ASN 78 2HB ASN 78 2.505 14.766 -5.314 560 HD21 ASN 78 1HD2 ASN 78 3.520 16.825 -4.995 561 HD22 ASN 78 2HD2 ASN 78 3.171 18.133 -6.068 562 H LYS 79 H LYS 79 6.224 15.648 -6.383 563 HA LYS 79 HA LYS 79 6.539 15.125 -3.503 564 HB2 LYS 79 1HB LYS 79 8.795 15.261 -5.511 565 HB3 LYS 79 2HB LYS 79 8.952 14.973 -3.783 566 HG2 LYS 79 1HG LYS 79 7.361 12.945 -4.318 567 HG3 LYS 79 2HG LYS 79 8.034 13.147 -5.938 568 HD2 LYS 79 1HD LYS 79 10.319 13.095 -4.854 569 HD3 LYS 79 2HD LYS 79 9.508 12.581 -3.373 570 HE2 LYS 79 1HE LYS 79 9.396 11.156 -6.030 571 HE3 LYS 79 2HE LYS 79 10.381 10.676 -4.649 572 HZ1 LYS 79 3HZ LYS 79 8.015 9.644 -5.091 573 HZ2 LYS 79 1HZ LYS 79 7.508 11.002 -4.217 574 HZ3 LYS 79 2HZ LYS 79 8.588 9.902 -3.520 575 H ARG 80 H ARG 80 5.343 17.381 -4.913 576 HA ARG 80 HA ARG 80 7.265 19.506 -4.230 577 HB2 ARG 80 1HB ARG 80 4.941 19.479 -6.155 578 HB3 ARG 80 2HB ARG 80 5.754 20.957 -5.658 579 HG2 ARG 80 1HG ARG 80 7.899 19.863 -6.484 580 HG3 ARG 80 2HG ARG 80 6.852 18.673 -7.259 581 HD2 ARG 80 1HD ARG 80 5.827 20.326 -8.613 582 HD3 ARG 80 2HD ARG 80 6.543 21.636 -7.675 583 HE ARG 80 HE ARG 80 8.434 19.881 -8.981 584 HH11 ARG 80 1HH1 ARG 80 6.548 22.800 -9.189 585 HH12 ARG 80 2HH1 ARG 80 7.560 23.523 -10.396 586 HH21 ARG 80 1HH2 ARG 80 9.773 20.822 -10.570 587 HH22 ARG 80 2HH2 ARG 80 9.393 22.396 -11.181 588 H VAL 81 H VAL 81 3.999 18.314 -3.770 589 HA VAL 81 HA VAL 81 2.818 20.440 -2.453 590 HB VAL 81 HB VAL 81 1.334 18.845 -1.393 591 HG11 VAL 81 1HG1 VAL 81 1.462 17.307 -3.792 592 HG12 VAL 81 2HG1 VAL 81 0.336 18.595 -3.360 593 HG13 VAL 81 3HG1 VAL 81 1.857 18.984 -4.165 594 HG21 VAL 81 3HG2 VAL 81 1.762 16.394 -1.674 595 HG22 VAL 81 1HG2 VAL 81 3.394 16.802 -2.202 596 HG23 VAL 81 2HG2 VAL 81 2.867 17.210 -0.569 597 H SER 82 H SER 82 2.982 21.340 -0.485 598 HA SER 82 HA SER 82 5.164 20.504 1.221 599 HB2 SER 82 1HB SER 82 4.451 22.938 0.618 600 HB3 SER 82 2HB SER 82 3.254 22.723 1.895 601 HG SER 82 HG SER 82 5.120 22.070 3.229 602 H ARG 83 H ARG 83 1.865 19.854 0.985 603 HA ARG 83 HA ARG 83 1.685 19.133 3.832 604 HB2 ARG 83 1HB ARG 83 -0.604 19.449 3.752 605 HB3 ARG 83 2HB ARG 83 -0.045 20.679 2.627 606 HG2 ARG 83 1HG ARG 83 -0.580 19.248 0.748 607 HG3 ARG 83 2HG ARG 83 -1.063 17.955 1.848 608 HD2 ARG 83 1HD ARG 83 -2.788 19.518 2.778 609 HD3 ARG 83 2HD ARG 83 -2.377 20.641 1.482 610 HE ARG 83 HE ARG 83 -3.039 18.035 0.509 611 HH11 ARG 83 1HH1 ARG 83 -4.366 21.058 1.613 612 HH12 ARG 83 2HH1 ARG 83 -5.847 20.880 0.731 613 HH21 ARG 83 1HH2 ARG 83 -4.984 17.790 -0.657 614 HH22 ARG 83 2HH2 ARG 83 -6.197 19.020 -0.559 615 HA PRO 84 HA PRO 84 1.724 14.842 2.906 616 HB2 PRO 84 1HB PRO 84 0.073 13.878 4.833 617 HB3 PRO 84 2HB PRO 84 1.701 14.477 5.174 618 HG2 PRO 84 1HG PRO 84 -0.933 15.860 5.502 619 HG3 PRO 84 2HG PRO 84 0.463 15.838 6.595 620 HD2 PRO 84 1HD PRO 84 -0.061 17.918 4.943 621 HD3 PRO 84 2HD PRO 84 1.591 17.446 5.390 622 H VAL 85 H VAL 85 0.747 13.707 1.358 623 HA VAL 85 HA VAL 85 -2.012 14.302 0.657 624 HB VAL 85 HB VAL 85 -0.048 12.470 -0.725 625 HG11 VAL 85 1HG1 VAL 85 -1.608 12.841 -2.668 626 HG12 VAL 85 2HG1 VAL 85 -2.253 11.858 -1.353 627 HG13 VAL 85 3HG1 VAL 85 -2.745 13.544 -1.519 628 HG21 VAL 85 3HG2 VAL 85 -0.598 15.396 -0.968 629 HG22 VAL 85 1HG2 VAL 85 0.943 14.538 -0.975 630 HG23 VAL 85 2HG2 VAL 85 -0.106 14.477 -2.391 631 H GLN 86 H GLN 86 -3.690 12.845 0.672 632 HA GLN 86 HA GLN 86 -3.253 10.450 2.306 633 HB2 GLN 86 1HB GLN 86 -4.932 11.844 3.242 634 HB3 GLN 86 2HB GLN 86 -5.712 12.075 1.683 635 HG2 GLN 86 1HG GLN 86 -7.082 10.597 2.893 636 HG3 GLN 86 2HG GLN 86 -6.229 9.614 1.704 637 HE21 GLN 86 1HE2 GLN 86 -6.343 7.708 2.796 638 HE22 GLN 86 2HE2 GLN 86 -5.530 7.411 4.291 639 H VAL 87 H VAL 87 -2.799 8.728 1.084 640 HA VAL 87 HA VAL 87 -4.379 8.296 -1.365 641 HB VAL 87 HB VAL 87 -2.597 6.877 -2.178 642 HG11 VAL 87 1HG1 VAL 87 -0.706 8.857 -1.610 643 HG12 VAL 87 2HG1 VAL 87 -1.782 8.772 -3.006 644 HG13 VAL 87 3HG1 VAL 87 -2.270 9.669 -1.568 645 HG21 VAL 87 3HG2 VAL 87 -1.056 7.534 0.327 646 HG22 VAL 87 1HG2 VAL 87 -1.938 6.026 0.084 647 HG23 VAL 87 2HG2 VAL 87 -0.586 6.436 -0.970 648 H TYR 88 H TYR 88 -4.505 5.845 -1.901 649 HA TYR 88 HA TYR 88 -5.043 4.289 0.531 650 HB2 TYR 88 1HB TYR 88 -6.926 4.619 -1.812 651 HB3 TYR 88 2HB TYR 88 -7.138 3.440 -0.523 652 HD1 TYR 88 1HD TYR 88 -7.230 4.405 1.899 653 HD2 TYR 88 2HD TYR 88 -7.898 6.717 -1.610 654 HE1 TYR 88 1HE TYR 88 -8.435 6.079 3.239 655 HE2 TYR 88 2HE TYR 88 -9.104 8.398 -0.280 656 HH TYR 88 HH TYR 88 -10.041 8.834 1.724 657 H PHE 89 H PHE 89 -5.167 1.971 0.163 658 HA PHE 89 HA PHE 89 -4.239 0.933 -2.368 659 HB2 PHE 89 1HB PHE 89 -2.215 -0.102 -1.493 660 HB3 PHE 89 2HB PHE 89 -2.136 1.644 -1.279 661 HD1 PHE 89 2HD PHE 89 -2.619 -1.572 0.439 662 HD2 PHE 89 1HD PHE 89 -2.045 2.622 0.886 663 HE1 PHE 89 2HE PHE 89 -2.173 -1.891 2.837 664 HE2 PHE 89 1HE PHE 89 -1.597 2.309 3.285 665 HZ PHE 89 HZ PHE 89 -1.662 0.050 4.264 666 H TYR 90 H TYR 90 -3.996 -1.490 -2.261 667 HA TYR 90 HA TYR 90 -5.431 -2.778 -0.087 668 HB2 TYR 90 1HB TYR 90 -7.063 -3.843 -1.582 669 HB3 TYR 90 2HB TYR 90 -7.232 -2.091 -1.599 670 HD1 TYR 90 1HD TYR 90 -6.058 -5.012 -3.519 671 HD2 TYR 90 2HD TYR 90 -6.851 -0.832 -3.596 672 HE1 TYR 90 1HE TYR 90 -5.854 -5.024 -5.970 673 HE2 TYR 90 2HE TYR 90 -6.651 -0.833 -6.047 674 HH TYR 90 HH TYR 90 -6.107 -2.028 -7.849 675 H VAL 91 H VAL 91 -5.650 -5.233 -0.665 676 HA VAL 91 HA VAL 91 -3.099 -6.081 -1.877 677 HB VAL 91 HB VAL 91 -4.616 -7.400 0.380 678 HG11 VAL 91 1HG1 VAL 91 -2.744 -8.468 -1.476 679 HG12 VAL 91 2HG1 VAL 91 -1.977 -8.390 0.111 680 HG13 VAL 91 3HG1 VAL 91 -3.499 -9.258 -0.092 681 HG21 VAL 91 3HG2 VAL 91 -3.568 -5.810 1.577 682 HG22 VAL 91 1HG2 VAL 91 -2.143 -6.821 1.339 683 HG23 VAL 91 2HG2 VAL 91 -2.431 -5.440 0.281 684 H SER 92 H SER 92 -3.244 -7.338 -3.609 685 HA SER 92 HA SER 92 -5.818 -8.305 -4.486 686 HB2 SER 92 1HB SER 92 -4.413 -7.398 -6.192 687 HB3 SER 92 2HB SER 92 -3.054 -8.408 -5.702 688 HG SER 92 HG SER 92 -5.064 -8.967 -7.411 689 H ASN 93 H ASN 93 -6.631 -10.194 -3.899 690 HA ASN 93 HA ASN 93 -4.778 -12.420 -3.358 691 HB2 ASN 93 1HB ASN 93 -6.221 -11.261 -1.420 692 HB3 ASN 93 2HB ASN 93 -7.431 -12.394 -2.016 693 HD21 ASN 93 1HD2 ASN 93 -4.957 -11.983 0.119 694 HD22 ASN 93 2HD2 ASN 93 -4.580 -13.638 0.439 695 H GLY 94 H GLY 94 -4.937 -13.585 -5.201 696 HA2 GLY 94 1HA GLY 94 -5.929 -15.273 -6.468 697 HA3 GLY 94 2HA GLY 94 -7.475 -14.890 -5.724 698 H ARG 95 H ARG 95 -8.905 -14.271 -7.188 699 HA ARG 95 HA ARG 95 -7.988 -12.540 -9.391 700 HB2 ARG 95 1HB ARG 95 -10.101 -14.698 -9.416 701 HB3 ARG 95 2HB ARG 95 -9.879 -13.536 -10.716 702 HG2 ARG 95 1HG ARG 95 -7.475 -14.379 -10.830 703 HG3 ARG 95 2HG ARG 95 -8.030 -15.720 -9.826 704 HD2 ARG 95 1HD ARG 95 -8.330 -16.609 -11.917 705 HD3 ARG 95 2HD ARG 95 -9.914 -15.886 -11.644 706 HE ARG 95 HE ARG 95 -9.505 -14.466 -13.380 707 HH11 ARG 95 1HH1 ARG 95 -6.472 -15.749 -12.252 708 HH12 ARG 95 2HH1 ARG 95 -5.542 -15.019 -13.519 709 HH21 ARG 95 1HH2 ARG 95 -8.292 -13.499 -15.053 710 HH22 ARG 95 2HH2 ARG 95 -6.579 -13.739 -15.111 711 H ARG 96 H ARG 96 -11.010 -13.513 -7.756 712 HA ARG 96 HA ARG 96 -12.042 -10.805 -8.118 713 HB2 ARG 96 1HB ARG 96 -14.190 -11.737 -7.405 714 HB3 ARG 96 2HB ARG 96 -13.504 -12.671 -8.727 715 HG2 ARG 96 1HG ARG 96 -12.816 -14.406 -7.219 716 HG3 ARG 96 2HG ARG 96 -13.309 -13.443 -5.825 717 HD2 ARG 96 1HD ARG 96 -15.320 -14.055 -7.936 718 HD3 ARG 96 2HD ARG 96 -14.865 -15.328 -6.804 719 HE ARG 96 HE ARG 96 -15.420 -13.235 -5.185 720 HH11 ARG 96 1HH1 ARG 96 -17.160 -14.783 -7.773 721 HH12 ARG 96 2HH1 ARG 96 -18.721 -14.425 -7.112 722 HH21 ARG 96 1HH2 ARG 96 -17.469 -12.758 -4.305 723 HH22 ARG 96 2HH2 ARG 96 -18.896 -13.272 -5.140 724 H LYS 97 H LYS 97 -11.320 -13.127 -5.547 725 HA LYS 97 HA LYS 97 -12.242 -11.685 -3.359 726 HB2 LYS 97 1HB LYS 97 -9.824 -13.495 -3.517 727 HB3 LYS 97 2HB LYS 97 -10.613 -12.983 -2.031 728 HG2 LYS 97 1HG LYS 97 -12.448 -14.323 -2.381 729 HG3 LYS 97 2HG LYS 97 -12.208 -14.378 -4.129 730 HD2 LYS 97 1HD LYS 97 -10.207 -15.774 -3.785 731 HD3 LYS 97 2HD LYS 97 -10.509 -15.753 -2.046 732 HE2 LYS 97 1HE LYS 97 -12.612 -16.895 -2.358 733 HE3 LYS 97 2HE LYS 97 -12.439 -16.809 -4.110 734 HZ1 LYS 97 3HZ LYS 97 -11.339 -18.699 -2.270 735 HZ2 LYS 97 1HZ LYS 97 -10.148 -18.026 -3.266 736 HZ3 LYS 97 2HZ LYS 97 -11.489 -18.796 -3.952 737 H ARG 98 H ARG 98 -11.664 -9.811 -2.491 738 HA ARG 98 HA ARG 98 -8.887 -8.940 -2.595 739 HB2 ARG 98 1HB ARG 98 -11.166 -7.529 -3.935 740 HB3 ARG 98 2HB ARG 98 -9.835 -6.595 -3.266 741 HG2 ARG 98 1HG ARG 98 -8.279 -7.549 -4.738 742 HG3 ARG 98 2HG ARG 98 -9.378 -8.856 -5.182 743 HD2 ARG 98 1HD ARG 98 -9.900 -5.949 -5.777 744 HD3 ARG 98 2HD ARG 98 -9.115 -7.052 -6.906 745 HE ARG 98 HE ARG 98 -11.663 -7.981 -5.944 746 HH11 ARG 98 1HH1 ARG 98 -10.022 -6.066 -8.345 747 HH12 ARG 98 2HH1 ARG 98 -11.300 -6.192 -9.507 748 HH21 ARG 98 1HH2 ARG 98 -13.353 -8.153 -7.466 749 HH22 ARG 98 2HH2 ARG 98 -13.195 -7.378 -9.006 750 H SER 99 H SER 99 -8.495 -7.040 -1.204 751 HA SER 99 HA SER 99 -10.313 -7.091 1.107 752 HB2 SER 99 1HB SER 99 -8.118 -5.904 2.105 753 HB3 SER 99 2HB SER 99 -8.309 -7.657 2.050 754 HG SER 99 HG SER 99 -6.518 -7.572 0.950 755 HA PRO 100 HA PRO 100 -11.404 -2.860 0.727 756 HB2 PRO 100 1HB PRO 100 -11.323 -1.983 3.295 757 HB3 PRO 100 2HB PRO 100 -12.575 -3.075 2.692 758 HG2 PRO 100 1HG PRO 100 -10.100 -3.709 4.251 759 HG3 PRO 100 2HG PRO 100 -11.742 -4.347 4.452 760 HD2 PRO 100 1HD PRO 100 -9.791 -5.724 3.176 761 HD3 PRO 100 2HD PRO 100 -11.504 -5.855 2.725 762 H THR 101 H THR 101 -10.617 -0.739 0.664 763 HA THR 101 HA THR 101 -7.785 -0.489 0.512 764 HB THR 101 HB THR 101 -8.316 1.979 0.165 765 HG1 THR 101 1HG THR 101 -10.294 2.207 1.123 766 HG21 THR 101 3HG2 THR 101 -9.889 0.232 -1.700 767 HG22 THR 101 1HG2 THR 101 -8.131 0.122 -1.616 768 HG23 THR 101 2HG2 THR 101 -8.899 1.642 -2.073 769 H GLN 102 H GLN 102 -6.356 0.204 1.979 770 HA GLN 102 HA GLN 102 -7.337 0.903 4.632 771 HB2 GLN 102 1HB GLN 102 -4.758 -0.083 3.516 772 HB3 GLN 102 2HB GLN 102 -4.702 0.858 5.000 773 HG2 GLN 102 1HG GLN 102 -4.811 -1.347 5.723 774 HG3 GLN 102 2HG GLN 102 -6.465 -0.758 5.885 775 HE21 GLN 102 1HE2 GLN 102 -8.056 -1.776 4.829 776 HE22 GLN 102 2HE2 GLN 102 -7.829 -3.088 3.729 777 H SER 103 H SER 103 -7.150 2.865 5.555 778 HA SER 103 HA SER 103 -6.670 5.132 3.935 779 HB2 SER 103 1HB SER 103 -7.062 4.771 6.903 780 HB3 SER 103 2HB SER 103 -6.768 6.356 6.188 781 HG SER 103 HG SER 103 -8.923 6.199 6.147 782 H PHE 104 H PHE 104 -4.773 5.878 3.288 783 HA PHE 104 HA PHE 104 -2.497 5.754 5.146 784 HB2 PHE 104 1HB PHE 104 -2.556 4.079 3.099 785 HB3 PHE 104 2HB PHE 104 -2.006 5.496 2.210 786 HD1 PHE 104 2HD PHE 104 -1.204 3.299 5.081 787 HD2 PHE 104 1HD PHE 104 0.232 6.165 2.281 788 HE1 PHE 104 2HE PHE 104 1.102 2.860 5.819 789 HE2 PHE 104 1HE PHE 104 2.540 5.730 3.014 790 HZ PHE 104 HZ PHE 104 2.977 4.077 4.786 791 H ARG 105 H ARG 105 -0.811 7.347 4.700 792 HA ARG 105 HA ARG 105 -1.462 9.559 2.956 793 HB2 ARG 105 1HB ARG 105 -2.785 10.061 4.977 794 HB3 ARG 105 2HB ARG 105 -1.321 9.974 5.947 795 HG2 ARG 105 1HG ARG 105 -0.396 11.863 4.644 796 HG3 ARG 105 2HG ARG 105 -1.936 11.982 3.791 797 HD2 ARG 105 1HD ARG 105 -1.568 12.247 6.773 798 HD3 ARG 105 2HD ARG 105 -1.750 13.592 5.648 799 HE ARG 105 HE ARG 105 -3.956 12.123 5.171 800 HH11 ARG 105 1HH1 ARG 105 -2.515 13.340 8.098 801 HH12 ARG 105 2HH1 ARG 105 -4.026 13.493 8.932 802 HH21 ARG 105 1HH2 ARG 105 -5.951 12.320 6.259 803 HH22 ARG 105 2HH2 ARG 105 -5.979 12.913 7.886 804 H PHE 106 H PHE 106 0.362 10.337 2.127 805 HA PHE 106 HA PHE 106 2.899 9.524 3.293 806 HB2 PHE 106 1HB PHE 106 2.339 10.996 0.710 807 HB3 PHE 106 2HB PHE 106 3.888 10.321 1.202 808 HD1 PHE 106 1HD PHE 106 3.401 7.700 2.105 809 HD2 PHE 106 2HD PHE 106 1.430 9.811 -1.022 810 HE1 PHE 106 1HE PHE 106 2.810 5.563 1.039 811 HE2 PHE 106 2HE PHE 106 0.836 7.677 -2.093 812 HZ PHE 106 HZ PHE 106 1.524 5.549 -1.062 813 H LEU 107 H LEU 107 4.473 10.901 4.037 814 HA LEU 107 HA LEU 107 3.569 13.621 4.651 815 HB2 LEU 107 1HB LEU 107 5.949 12.182 5.797 816 HB3 LEU 107 2HB LEU 107 5.170 13.637 6.413 817 HG LEU 107 HG LEU 107 3.848 10.928 6.353 818 HD11 LEU 107 1HD1 LEU 107 4.392 11.638 8.988 819 HD12 LEU 107 2HD1 LEU 107 5.889 11.957 8.112 820 HD13 LEU 107 3HD1 LEU 107 5.157 10.354 8.052 821 HD21 LEU 107 3HD2 LEU 107 2.037 11.933 7.179 822 HD22 LEU 107 1HD2 LEU 107 2.773 13.449 6.657 823 HD23 LEU 107 2HD2 LEU 107 2.986 12.891 8.317 824 HA PRO 108 HA PRO 108 6.375 15.398 1.759 825 HB2 PRO 108 1HB PRO 108 6.607 17.869 2.861 826 HB3 PRO 108 2HB PRO 108 5.159 17.333 2.000 827 HG2 PRO 108 1HG PRO 108 5.677 17.447 4.946 828 HG3 PRO 108 2HG PRO 108 4.221 17.913 4.047 829 HD2 PRO 108 1HD PRO 108 4.429 15.555 5.362 830 HD3 PRO 108 2HD PRO 108 3.479 15.738 3.873 831 H VAL 109 H VAL 109 8.546 15.875 1.508 832 HA VAL 109 HA VAL 109 10.221 15.328 3.851 833 HB VAL 109 HB VAL 109 11.238 15.518 1.031 834 HG11 VAL 109 1HG1 VAL 109 12.864 15.428 2.861 835 HG12 VAL 109 2HG1 VAL 109 12.139 13.921 3.427 836 HG13 VAL 109 3HG1 VAL 109 12.938 13.982 1.855 837 HG21 VAL 109 3HG2 VAL 109 10.679 12.811 1.922 838 HG22 VAL 109 1HG2 VAL 109 9.216 13.782 1.758 839 HG23 VAL 109 2HG2 VAL 109 10.308 13.594 0.386 840 H ILE 110 H ILE 110 8.918 17.942 3.247 841 HA ILE 110 HA ILE 110 11.287 19.625 2.817 842 HB ILE 110 HB ILE 110 8.372 20.416 2.818 843 HG12 ILE 110 1HG1 ILE 110 10.225 20.315 0.444 844 HG13 ILE 110 2HG1 ILE 110 9.247 18.930 0.916 845 HG21 ILE 110 1HG2 ILE 110 10.385 22.169 1.592 846 HG22 ILE 110 2HG2 ILE 110 8.980 22.567 2.579 847 HG23 ILE 110 3HG2 ILE 110 10.475 22.034 3.348 848 HD11 ILE 110 3HD1 ILE 110 8.190 20.216 -0.855 849 HD12 ILE 110 1HD1 ILE 110 7.225 20.247 0.620 850 HD13 ILE 110 2HD1 ILE 110 8.197 21.649 0.172 851 H CYS 111 H CYS 111 12.196 20.663 4.465 852 HA CYS 111 HA CYS 111 10.617 21.085 6.912 853 HB2 CYS 111 1HB CYS 111 12.407 19.177 6.924 854 HB3 CYS 111 2HB CYS 111 13.555 20.504 7.054 855 HG CYS 111 HG CYS 111 12.912 21.307 9.511 856 H LYS 112 H LYS 112 10.641 23.092 5.209 857 HA LYS 112 HA LYS 112 12.754 24.920 6.147 858 HB2 LYS 112 1HB LYS 112 12.860 24.619 3.748 859 HB3 LYS 112 2HB LYS 112 11.144 24.966 3.590 860 HG2 LYS 112 1HG LYS 112 11.491 27.253 4.235 861 HG3 LYS 112 2HG LYS 112 13.190 26.935 4.589 862 HD2 LYS 112 1HD LYS 112 13.507 26.320 2.197 863 HD3 LYS 112 2HD LYS 112 11.842 26.820 1.893 864 HE2 LYS 112 1HE LYS 112 12.987 28.734 1.336 865 HE3 LYS 112 2HE LYS 112 12.617 29.044 3.031 866 HZ1 LYS 112 3HZ LYS 112 14.767 29.139 3.499 867 HZ2 LYS 112 1HZ LYS 112 15.106 29.041 1.844 868 HZ3 LYS 112 2HZ LYS 112 15.064 27.635 2.784 869 H GLU 113 H GLU 113 12.188 26.982 6.850 870 HA GLU 113 HA GLU 113 9.308 27.432 7.281 871 HB2 GLU 113 1HB GLU 113 10.894 26.784 9.302 872 HB3 GLU 113 2HB GLU 113 11.303 28.492 9.230 873 HG2 GLU 113 1HG GLU 113 8.886 29.021 9.427 874 HG3 GLU 113 2HG GLU 113 8.574 27.302 9.658 875 H GLU 114 H GLU 114 8.715 29.708 7.599 876 HA GLU 114 HA GLU 114 10.448 31.472 6.001 877 HB2 GLU 114 1HB GLU 114 8.069 30.835 5.207 878 HB3 GLU 114 2HB GLU 114 7.514 31.935 6.461 879 HG2 GLU 114 1HG GLU 114 9.454 32.752 4.319 880 HG3 GLU 114 2HG GLU 114 7.706 32.889 4.139 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -19.064 -20.536 16.408 2 HA2 GLY 1 1HA GLY 1 -16.411 -21.473 16.453 3 HA3 GLY 1 2HA GLY 1 -17.784 -22.331 15.771 4 H SER 2 H SER 2 -17.272 -22.983 13.793 5 HA SER 2 HA SER 2 -15.976 -21.045 11.990 6 HB2 SER 2 1HB SER 2 -14.540 -23.024 12.726 7 HB3 SER 2 2HB SER 2 -15.634 -24.037 11.785 8 HG SER 2 HG SER 2 -13.566 -22.660 10.911 9 H SER 3 H SER 3 -17.848 -20.328 11.026 10 HA SER 3 HA SER 3 -19.225 -22.307 9.341 11 HB2 SER 3 1HB SER 3 -20.417 -20.326 11.237 12 HB3 SER 3 2HB SER 3 -21.277 -20.683 9.739 13 HG SER 3 HG SER 3 -22.021 -22.200 11.079 14 H GLY 4 H GLY 4 -18.355 -21.759 7.410 15 HA2 GLY 4 1HA GLY 4 -18.581 -20.502 5.421 16 HA3 GLY 4 2HA GLY 4 -19.031 -19.103 6.384 17 H SER 5 H SER 5 -16.211 -21.273 6.494 18 HA SER 5 HA SER 5 -14.335 -19.377 7.178 19 HB2 SER 5 1HB SER 5 -13.891 -21.801 7.170 20 HB3 SER 5 2HB SER 5 -13.895 -21.794 5.406 21 HG SER 5 HG SER 5 -12.164 -20.118 5.707 22 H SER 6 H SER 6 -14.275 -17.448 6.165 23 HA SER 6 HA SER 6 -14.339 -17.299 3.265 24 HB2 SER 6 1HB SER 6 -14.491 -15.321 5.501 25 HB3 SER 6 2HB SER 6 -13.981 -14.757 3.910 26 HG SER 6 HG SER 6 -16.004 -14.777 3.387 27 H GLY 7 H GLY 7 -12.571 -17.395 2.059 28 HA2 GLY 7 1HA GLY 7 -9.956 -17.123 3.316 29 HA3 GLY 7 2HA GLY 7 -10.276 -17.715 1.693 30 H LEU 8 H LEU 8 -10.926 -14.683 3.457 31 HA LEU 8 HA LEU 8 -9.873 -13.228 1.126 32 HB2 LEU 8 1HB LEU 8 -11.694 -12.205 3.298 33 HB3 LEU 8 2HB LEU 8 -11.209 -11.344 1.839 34 HG LEU 8 HG LEU 8 -12.715 -13.919 1.620 35 HD11 LEU 8 1HD1 LEU 8 -14.077 -11.254 1.871 36 HD12 LEU 8 2HD1 LEU 8 -13.872 -12.346 3.240 37 HD13 LEU 8 3HD1 LEU 8 -14.803 -12.861 1.834 38 HD21 LEU 8 3HD2 LEU 8 -11.908 -13.126 -0.442 39 HD22 LEU 8 1HD2 LEU 8 -12.341 -11.459 -0.064 40 HD23 LEU 8 2HD2 LEU 8 -13.604 -12.645 -0.392 41 HA PRO 9 HA PRO 9 -6.483 -11.763 3.515 42 HB2 PRO 9 1HB PRO 9 -5.964 -9.448 2.195 43 HB3 PRO 9 2HB PRO 9 -5.582 -11.041 1.529 44 HG2 PRO 9 1HG PRO 9 -7.923 -9.262 0.963 45 HG3 PRO 9 2HG PRO 9 -6.935 -10.205 -0.168 46 HD2 PRO 9 1HD PRO 9 -9.363 -11.040 0.690 47 HD3 PRO 9 2HD PRO 9 -8.049 -12.168 0.297 48 H GLN 10 H GLN 10 -6.488 -10.846 5.462 49 HA GLN 10 HA GLN 10 -8.201 -8.489 5.902 50 HB2 GLN 10 1HB GLN 10 -8.971 -10.456 7.141 51 HB3 GLN 10 2HB GLN 10 -7.383 -10.627 7.877 52 HG2 GLN 10 1HG GLN 10 -7.708 -8.346 8.870 53 HG3 GLN 10 2HG GLN 10 -9.375 -8.419 8.301 54 HE21 GLN 10 1HE2 GLN 10 -10.255 -8.373 10.343 55 HE22 GLN 10 2HE2 GLN 10 -10.140 -9.700 11.443 56 H VAL 11 H VAL 11 -7.429 -6.862 7.338 57 HA VAL 11 HA VAL 11 -4.527 -6.915 7.824 58 HB VAL 11 HB VAL 11 -6.092 -4.569 6.739 59 HG11 VAL 11 1HG1 VAL 11 -3.253 -4.826 7.693 60 HG12 VAL 11 2HG1 VAL 11 -3.774 -3.542 6.600 61 HG13 VAL 11 3HG1 VAL 11 -4.483 -3.673 8.210 62 HG21 VAL 11 3HG2 VAL 11 -5.705 -5.766 4.842 63 HG22 VAL 11 1HG2 VAL 11 -4.155 -4.933 4.953 64 HG23 VAL 11 2HG2 VAL 11 -4.304 -6.597 5.518 65 H GLU 12 H GLU 12 -4.792 -7.322 10.012 66 HA GLU 12 HA GLU 12 -6.594 -6.073 11.732 67 HB2 GLU 12 1HB GLU 12 -4.920 -8.073 12.088 68 HB3 GLU 12 2HB GLU 12 -3.862 -6.809 12.699 69 HG2 GLU 12 1HG GLU 12 -4.909 -7.594 14.603 70 HG3 GLU 12 2HG GLU 12 -5.844 -6.156 14.194 71 H ALA 13 H ALA 13 -3.272 -5.167 10.879 72 HA ALA 13 HA ALA 13 -3.823 -2.392 11.300 73 HB1 ALA 13 3HB ALA 13 -3.454 -3.319 13.635 74 HB2 ALA 13 1HB ALA 13 -1.772 -3.560 13.160 75 HB3 ALA 13 2HB ALA 13 -2.464 -1.937 13.166 76 H TYR 14 H TYR 14 -1.588 -1.150 11.244 77 HA TYR 14 HA TYR 14 0.456 -2.492 9.704 78 HB2 TYR 14 1HB TYR 14 0.301 -0.930 7.789 79 HB3 TYR 14 2HB TYR 14 -1.121 -1.956 7.935 80 HD1 TYR 14 1HD TYR 14 0.111 1.417 8.962 81 HD2 TYR 14 2HD TYR 14 -3.217 -0.979 7.825 82 HE1 TYR 14 1HE TYR 14 -1.322 3.416 8.966 83 HE2 TYR 14 2HE TYR 14 -4.658 1.014 7.824 84 HH TYR 14 HH TYR 14 -4.792 3.189 8.551 85 H SER 15 H SER 15 2.408 -1.392 9.678 86 HA SER 15 HA SER 15 2.549 1.296 10.774 87 HB2 SER 15 1HB SER 15 4.277 0.555 12.469 88 HB3 SER 15 2HB SER 15 2.622 0.057 12.821 89 HG SER 15 HG SER 15 3.682 -1.844 11.348 90 HA PRO 16 HA PRO 16 4.253 2.584 11.573 91 HB2 PRO 16 1HB PRO 16 5.007 4.833 10.253 92 HB3 PRO 16 2HB PRO 16 6.145 3.815 11.143 93 HG2 PRO 16 1HG PRO 16 5.579 3.902 8.205 94 HG3 PRO 16 2HG PRO 16 7.139 3.792 9.041 95 HD2 PRO 16 1HD PRO 16 5.916 1.637 7.948 96 HD3 PRO 16 2HD PRO 16 6.927 1.526 9.404 97 H SER 17 H SER 17 2.411 3.766 11.829 98 HA SER 17 HA SER 17 0.215 3.445 10.279 99 HB2 SER 17 1HB SER 17 0.092 4.453 12.493 100 HB3 SER 17 2HB SER 17 0.911 5.901 11.909 101 HG SER 17 HG SER 17 -0.911 6.595 11.120 102 H ALA 18 H ALA 18 2.750 5.827 9.825 103 HA ALA 18 HA ALA 18 1.648 6.417 7.175 104 HB1 ALA 18 3HB ALA 18 1.885 8.301 9.392 105 HB2 ALA 18 1HB ALA 18 2.654 8.857 7.905 106 HB3 ALA 18 2HB ALA 18 0.947 8.412 7.903 107 H CYS 19 H CYS 19 3.324 7.835 5.934 108 HA CYS 19 HA CYS 19 6.078 7.351 6.668 109 HB2 CYS 19 1HB CYS 19 5.079 5.270 5.433 110 HB3 CYS 19 2HB CYS 19 5.245 6.273 3.997 111 HG CYS 19 HG CYS 19 7.855 5.544 6.085 112 H SER 20 H SER 20 7.536 8.104 4.745 113 HA SER 20 HA SER 20 6.697 10.789 4.129 114 HB2 SER 20 1HB SER 20 9.224 9.348 3.289 115 HB3 SER 20 2HB SER 20 8.947 11.089 3.257 116 HG SER 20 HG SER 20 8.530 9.857 5.697 117 H VAL 21 H VAL 21 6.354 11.684 2.108 118 HA VAL 21 HA VAL 21 4.975 10.216 0.220 119 HB VAL 21 HB VAL 21 5.401 12.105 -1.354 120 HG11 VAL 21 1HG1 VAL 21 4.479 12.611 1.454 121 HG12 VAL 21 2HG1 VAL 21 4.424 13.878 0.227 122 HG13 VAL 21 3HG1 VAL 21 3.517 12.383 -0.006 123 HG21 VAL 21 3HG2 VAL 21 7.654 12.495 0.306 124 HG22 VAL 21 1HG2 VAL 21 7.171 13.423 -1.114 125 HG23 VAL 21 2HG2 VAL 21 6.620 13.912 0.488 126 H ARG 22 H ARG 22 8.364 10.425 0.709 127 HA ARG 22 HA ARG 22 9.153 9.704 -1.950 128 HB2 ARG 22 1HB ARG 22 10.661 9.605 0.668 129 HB3 ARG 22 2HB ARG 22 11.379 9.314 -0.910 130 HG2 ARG 22 1HG ARG 22 10.471 11.659 -1.497 131 HG3 ARG 22 2HG ARG 22 10.349 11.866 0.251 132 HD2 ARG 22 1HD ARG 22 12.871 10.984 -1.134 133 HD3 ARG 22 2HD ARG 22 12.491 12.675 -0.813 134 HE ARG 22 HE ARG 22 12.265 11.208 1.573 135 HH11 ARG 22 1HH1 ARG 22 14.676 12.338 -0.670 136 HH12 ARG 22 2HH1 ARG 22 15.930 12.430 0.522 137 HH21 ARG 22 1HH2 ARG 22 13.907 11.326 3.152 138 HH22 ARG 22 2HH2 ARG 22 15.491 11.854 2.696 139 H GLY 23 H GLY 23 8.594 7.972 1.077 140 HA2 GLY 23 1HA GLY 23 7.976 5.745 1.335 141 HA3 GLY 23 2HA GLY 23 8.208 5.510 -0.391 142 H GLY 24 H GLY 24 9.706 4.032 -0.789 143 HA2 GLY 24 1HA GLY 24 11.556 2.689 -0.522 144 HA3 GLY 24 2HA GLY 24 12.374 4.207 -0.181 145 H GLU 25 H GLU 25 9.845 2.680 1.755 146 HA GLU 25 HA GLU 25 11.843 2.216 3.869 147 HB2 GLU 25 1HB GLU 25 9.091 3.425 4.102 148 HB3 GLU 25 2HB GLU 25 9.947 2.758 5.485 149 HG2 GLU 25 1HG GLU 25 11.278 4.806 3.776 150 HG3 GLU 25 2HG GLU 25 10.071 5.301 4.962 151 H GLU 26 H GLU 26 10.891 0.735 5.627 152 HA GLU 26 HA GLU 26 9.796 -1.601 4.262 153 HB2 GLU 26 1HB GLU 26 11.876 -1.597 5.808 154 HB3 GLU 26 2HB GLU 26 10.710 -1.543 7.123 155 HG2 GLU 26 1HG GLU 26 9.718 -3.620 6.364 156 HG3 GLU 26 2HG GLU 26 10.824 -3.665 4.992 157 H LEU 27 H LEU 27 7.681 -1.922 4.296 158 HA LEU 27 HA LEU 27 6.127 -0.903 6.577 159 HB2 LEU 27 1HB LEU 27 5.543 0.012 4.369 160 HB3 LEU 27 2HB LEU 27 5.195 -1.619 3.800 161 HG LEU 27 HG LEU 27 3.373 -1.752 5.495 162 HD11 LEU 27 1HD1 LEU 27 2.586 0.531 6.324 163 HD12 LEU 27 2HD1 LEU 27 4.220 1.088 5.965 164 HD13 LEU 27 3HD1 LEU 27 3.967 -0.200 7.142 165 HD21 LEU 27 3HD2 LEU 27 1.856 -0.172 4.283 166 HD22 LEU 27 1HD2 LEU 27 2.778 -1.255 3.241 167 HD23 LEU 27 2HD2 LEU 27 3.271 0.429 3.419 168 H VAL 28 H VAL 28 5.413 -2.352 7.981 169 HA VAL 28 HA VAL 28 5.154 -5.153 7.116 170 HB VAL 28 HB VAL 28 5.483 -4.050 9.910 171 HG11 VAL 28 1HG1 VAL 28 4.823 -6.725 8.854 172 HG12 VAL 28 2HG1 VAL 28 6.043 -6.669 10.128 173 HG13 VAL 28 3HG1 VAL 28 4.439 -5.991 10.411 174 HG21 VAL 28 3HG2 VAL 28 7.389 -4.602 7.867 175 HG22 VAL 28 1HG2 VAL 28 7.668 -4.062 9.522 176 HG23 VAL 28 2HG2 VAL 28 7.590 -5.786 9.159 177 H LEU 29 H LEU 29 3.113 -5.582 6.562 178 HA LEU 29 HA LEU 29 0.905 -4.299 7.960 179 HB2 LEU 29 1HB LEU 29 0.955 -6.176 5.602 180 HB3 LEU 29 2HB LEU 29 -0.499 -5.434 6.267 181 HG LEU 29 HG LEU 29 1.738 -3.697 5.312 182 HD11 LEU 29 1HD1 LEU 29 1.293 -3.947 3.106 183 HD12 LEU 29 2HD1 LEU 29 -0.390 -4.396 3.380 184 HD13 LEU 29 3HD1 LEU 29 0.890 -5.583 3.627 185 HD21 LEU 29 3HD2 LEU 29 -0.402 -2.388 4.623 186 HD22 LEU 29 1HD2 LEU 29 0.096 -2.423 6.314 187 HD23 LEU 29 2HD2 LEU 29 -1.208 -3.471 5.758 188 H THR 30 H THR 30 -0.574 -5.334 9.231 189 HA THR 30 HA THR 30 0.094 -8.100 9.992 190 HB THR 30 HB THR 30 -1.408 -6.055 11.637 191 HG1 THR 30 1HG THR 30 1.161 -6.138 11.130 192 HG21 THR 30 3HG2 THR 30 -2.044 -7.939 12.701 193 HG22 THR 30 1HG2 THR 30 -0.412 -7.898 13.367 194 HG23 THR 30 2HG2 THR 30 -0.768 -8.907 11.965 195 H GLY 31 H GLY 31 -1.513 -9.644 10.159 196 HA2 GLY 31 1HA GLY 31 -4.243 -9.318 10.172 197 HA3 GLY 31 2HA GLY 31 -3.793 -9.265 8.474 198 H SER 32 H SER 32 -4.815 -11.170 7.920 199 HA SER 32 HA SER 32 -3.325 -13.566 8.422 200 HB2 SER 32 1HB SER 32 -6.152 -13.377 9.490 201 HB3 SER 32 2HB SER 32 -5.196 -14.856 9.397 202 HG SER 32 HG SER 32 -5.160 -12.916 11.272 203 H ASN 33 H ASN 33 -4.393 -15.477 7.305 204 HA ASN 33 HA ASN 33 -5.208 -16.427 5.407 205 HB2 ASN 33 1HB ASN 33 -7.106 -14.138 5.798 206 HB3 ASN 33 2HB ASN 33 -7.206 -15.117 4.337 207 HD21 ASN 33 1HD2 ASN 33 -8.037 -17.144 4.439 208 HD22 ASN 33 2HD2 ASN 33 -8.723 -17.829 5.868 209 H PHE 34 H PHE 34 -2.899 -15.072 5.054 210 HA PHE 34 HA PHE 34 -3.232 -13.436 2.646 211 HB2 PHE 34 1HB PHE 34 -0.922 -13.853 4.538 212 HB3 PHE 34 2HB PHE 34 -0.726 -13.044 2.986 213 HD1 PHE 34 1HD PHE 34 -3.144 -11.438 2.786 214 HD2 PHE 34 2HD PHE 34 -0.663 -12.226 6.154 215 HE1 PHE 34 1HE PHE 34 -3.856 -9.313 3.804 216 HE2 PHE 34 2HE PHE 34 -1.371 -10.104 7.177 217 HZ PHE 34 HZ PHE 34 -2.970 -8.644 6.002 218 H LEU 35 H LEU 35 -1.353 -13.771 1.014 219 HA LEU 35 HA LEU 35 -1.058 -16.665 0.541 220 HB2 LEU 35 1HB LEU 35 -1.631 -14.411 -1.350 221 HB3 LEU 35 2HB LEU 35 -0.916 -15.918 -1.918 222 HG LEU 35 HG LEU 35 -3.440 -16.060 -0.346 223 HD11 LEU 35 1HD1 LEU 35 -3.137 -14.728 -2.956 224 HD12 LEU 35 2HD1 LEU 35 -4.391 -14.558 -1.729 225 HD13 LEU 35 3HD1 LEU 35 -4.429 -15.924 -2.843 226 HD21 LEU 35 3HD2 LEU 35 -2.043 -17.631 -2.469 227 HD22 LEU 35 1HD2 LEU 35 -3.782 -17.813 -2.238 228 HD23 LEU 35 2HD2 LEU 35 -2.675 -18.162 -0.910 229 HA PRO 36 HA PRO 36 3.297 -16.115 0.385 230 HB2 PRO 36 1HB PRO 36 3.986 -18.069 -1.368 231 HB3 PRO 36 2HB PRO 36 3.453 -18.405 0.283 232 HG2 PRO 36 1HG PRO 36 1.897 -18.528 -2.271 233 HG3 PRO 36 2HG PRO 36 1.899 -19.661 -0.907 234 HD2 PRO 36 1HD PRO 36 -0.049 -17.814 -1.263 235 HD3 PRO 36 2HD PRO 36 0.475 -18.352 0.346 236 H ASP 37 H ASP 37 1.326 -15.668 -2.370 237 HA ASP 37 HA ASP 37 3.501 -14.193 -3.689 238 HB2 ASP 37 1HB ASP 37 2.931 -15.018 -5.833 239 HB3 ASP 37 2HB ASP 37 2.983 -16.436 -4.789 240 H SER 38 H SER 38 1.228 -13.418 -1.943 241 HA SER 38 HA SER 38 -0.913 -12.299 -3.263 242 HB2 SER 38 1HB SER 38 0.545 -11.647 -0.750 243 HB3 SER 38 2HB SER 38 -0.584 -10.442 -1.368 244 HG SER 38 HG SER 38 -2.192 -12.079 -1.367 245 H LYS 39 H LYS 39 -1.230 -9.781 -3.350 246 HA LYS 39 HA LYS 39 1.104 -8.463 -4.520 247 HB2 LYS 39 1HB LYS 39 -1.567 -8.657 -5.924 248 HB3 LYS 39 2HB LYS 39 -0.173 -7.742 -6.483 249 HG2 LYS 39 1HG LYS 39 1.083 -9.929 -6.546 250 HG3 LYS 39 2HG LYS 39 -0.472 -10.725 -6.293 251 HD2 LYS 39 1HD LYS 39 -1.241 -10.187 -8.376 252 HD3 LYS 39 2HD LYS 39 -0.283 -8.707 -8.467 253 HE2 LYS 39 1HE LYS 39 0.769 -10.085 -10.003 254 HE3 LYS 39 2HE LYS 39 1.744 -10.314 -8.552 255 HZ1 LYS 39 3HZ LYS 39 1.381 -12.473 -8.832 256 HZ2 LYS 39 1HZ LYS 39 0.192 -12.215 -10.006 257 HZ3 LYS 39 2HZ LYS 39 -0.222 -12.204 -8.367 258 H VAL 40 H VAL 40 1.136 -6.262 -4.271 259 HA VAL 40 HA VAL 40 -1.203 -5.034 -2.967 260 HB VAL 40 HB VAL 40 1.693 -4.575 -2.238 261 HG11 VAL 40 1HG1 VAL 40 -0.261 -2.708 -2.141 262 HG12 VAL 40 2HG1 VAL 40 -0.448 -3.462 -0.556 263 HG13 VAL 40 3HG1 VAL 40 1.105 -2.771 -1.027 264 HG21 VAL 40 3HG2 VAL 40 -0.489 -5.674 -0.484 265 HG22 VAL 40 1HG2 VAL 40 0.569 -6.708 -1.444 266 HG23 VAL 40 2HG2 VAL 40 1.251 -5.667 -0.194 267 H VAL 41 H VAL 41 -1.945 -3.329 -4.031 268 HA VAL 41 HA VAL 41 -0.064 -1.729 -5.637 269 HB VAL 41 HB VAL 41 -1.553 -1.552 -7.446 270 HG11 VAL 41 1HG1 VAL 41 -0.594 -4.012 -6.659 271 HG12 VAL 41 2HG1 VAL 41 -2.284 -4.340 -7.048 272 HG13 VAL 41 3HG1 VAL 41 -1.226 -3.607 -8.254 273 HG21 VAL 41 3HG2 VAL 41 -3.641 -2.812 -5.671 274 HG22 VAL 41 1HG2 VAL 41 -3.607 -1.150 -6.261 275 HG23 VAL 41 2HG2 VAL 41 -3.856 -2.482 -7.390 276 H PHE 42 H PHE 42 -0.491 0.480 -5.776 277 HA PHE 42 HA PHE 42 -2.298 1.484 -3.694 278 HB2 PHE 42 1HB PHE 42 0.164 2.605 -5.004 279 HB3 PHE 42 2HB PHE 42 -0.956 3.656 -4.145 280 HD1 PHE 42 2HD PHE 42 0.594 0.313 -3.530 281 HD2 PHE 42 1HD PHE 42 -0.268 4.205 -2.038 282 HE1 PHE 42 2HE PHE 42 1.691 -0.262 -1.404 283 HE2 PHE 42 1HE PHE 42 0.829 3.637 0.090 284 HZ PHE 42 HZ PHE 42 1.810 1.400 0.409 285 H ILE 43 H ILE 43 -3.251 3.704 -4.198 286 HA ILE 43 HA ILE 43 -3.941 4.064 -7.009 287 HB ILE 43 HB ILE 43 -6.353 4.214 -6.513 288 HG12 ILE 43 1HG1 ILE 43 -5.689 2.923 -3.864 289 HG13 ILE 43 2HG1 ILE 43 -6.002 4.646 -4.043 290 HG21 ILE 43 1HG2 ILE 43 -6.776 1.918 -6.659 291 HG22 ILE 43 2HG2 ILE 43 -5.145 2.103 -7.304 292 HG23 ILE 43 3HG2 ILE 43 -5.381 1.506 -5.662 293 HD11 ILE 43 3HD1 ILE 43 -8.239 4.304 -4.572 294 HD12 ILE 43 1HD1 ILE 43 -7.984 2.606 -4.971 295 HD13 ILE 43 2HD1 ILE 43 -7.919 3.137 -3.290 296 H GLU 44 H GLU 44 -5.260 6.084 -7.324 297 HA GLU 44 HA GLU 44 -5.068 8.058 -5.209 298 HB2 GLU 44 1HB GLU 44 -2.875 8.309 -6.121 299 HB3 GLU 44 2HB GLU 44 -3.485 8.263 -7.769 300 HG2 GLU 44 1HG GLU 44 -4.787 10.391 -7.086 301 HG3 GLU 44 2HG GLU 44 -3.622 10.473 -5.767 302 H ARG 45 H ARG 45 -6.776 9.367 -5.278 303 HA ARG 45 HA ARG 45 -8.585 9.198 -7.536 304 HB2 ARG 45 1HB ARG 45 -8.763 10.404 -4.788 305 HB3 ARG 45 2HB ARG 45 -9.974 10.756 -6.014 306 HG2 ARG 45 1HG ARG 45 -10.746 8.567 -6.061 307 HG3 ARG 45 2HG ARG 45 -9.273 7.931 -5.326 308 HD2 ARG 45 1HD ARG 45 -9.897 8.561 -3.204 309 HD3 ARG 45 2HD ARG 45 -10.941 9.858 -3.783 310 HE ARG 45 HE ARG 45 -11.739 7.234 -3.176 311 HH11 ARG 45 1HH1 ARG 45 -12.214 9.696 -5.590 312 HH12 ARG 45 2HH1 ARG 45 -13.805 9.158 -6.014 313 HH21 ARG 45 1HH2 ARG 45 -13.833 6.515 -3.725 314 HH22 ARG 45 2HH2 ARG 45 -14.726 7.349 -4.952 315 H GLY 46 H GLY 46 -9.042 10.793 -8.971 316 HA2 GLY 46 1HA GLY 46 -7.360 13.209 -8.801 317 HA3 GLY 46 2HA GLY 46 -7.963 12.505 -10.294 318 HA PRO 47 HA PRO 47 -10.759 15.961 -8.580 319 HB2 PRO 47 1HB PRO 47 -10.044 17.941 -10.294 320 HB3 PRO 47 2HB PRO 47 -9.257 17.693 -8.731 321 HG2 PRO 47 1HG PRO 47 -8.359 16.849 -11.459 322 HG3 PRO 47 2HG PRO 47 -7.412 17.561 -10.140 323 HD2 PRO 47 1HD PRO 47 -7.398 14.907 -10.675 324 HD3 PRO 47 2HD PRO 47 -7.210 15.550 -9.032 325 H ASP 48 H ASP 48 -10.176 14.186 -11.342 326 HA ASP 48 HA ASP 48 -12.205 15.389 -13.014 327 HB2 ASP 48 1HB ASP 48 -10.477 12.934 -13.275 328 HB3 ASP 48 2HB ASP 48 -11.760 13.297 -14.426 329 H GLY 49 H GLY 49 -11.856 12.500 -11.001 330 HA2 GLY 49 1HA GLY 49 -14.130 12.094 -9.847 331 HA3 GLY 49 2HA GLY 49 -14.684 11.853 -11.497 332 H LYS 50 H LYS 50 -12.031 10.613 -12.178 333 HA LYS 50 HA LYS 50 -12.555 7.983 -10.956 334 HB2 LYS 50 1HB LYS 50 -11.391 8.594 -13.680 335 HB3 LYS 50 2HB LYS 50 -11.672 6.988 -13.020 336 HG2 LYS 50 1HG LYS 50 -14.121 7.671 -12.845 337 HG3 LYS 50 2HG LYS 50 -13.689 9.032 -13.883 338 HD2 LYS 50 1HD LYS 50 -14.440 7.386 -15.369 339 HD3 LYS 50 2HD LYS 50 -12.680 7.275 -15.451 340 HE2 LYS 50 1HE LYS 50 -12.852 5.449 -13.705 341 HE3 LYS 50 2HE LYS 50 -14.592 5.465 -13.991 342 HZ1 LYS 50 3HZ LYS 50 -14.223 4.882 -16.276 343 HZ2 LYS 50 1HZ LYS 50 -13.415 3.766 -15.294 344 HZ3 LYS 50 2HZ LYS 50 -12.545 4.981 -16.087 345 H LEU 51 H LEU 51 -10.829 6.725 -10.280 346 HA LEU 51 HA LEU 51 -8.351 8.207 -9.815 347 HB2 LEU 51 1HB LEU 51 -7.864 6.265 -8.270 348 HB3 LEU 51 2HB LEU 51 -9.204 7.318 -7.822 349 HG LEU 51 HG LEU 51 -10.766 5.616 -8.760 350 HD11 LEU 51 1HD1 LEU 51 -8.213 4.363 -9.471 351 HD12 LEU 51 2HD1 LEU 51 -9.814 4.173 -10.186 352 HD13 LEU 51 3HD1 LEU 51 -9.388 3.278 -8.727 353 HD21 LEU 51 3HD2 LEU 51 -9.065 5.318 -6.388 354 HD22 LEU 51 1HD2 LEU 51 -9.897 3.847 -6.892 355 HD23 LEU 51 2HD2 LEU 51 -10.823 5.306 -6.537 356 H GLN 52 H GLN 52 -6.384 7.568 -10.561 357 HA GLN 52 HA GLN 52 -6.054 4.999 -11.857 358 HB2 GLN 52 1HB GLN 52 -5.858 7.597 -13.382 359 HB3 GLN 52 2HB GLN 52 -5.187 6.078 -13.959 360 HG2 GLN 52 1HG GLN 52 -7.620 5.203 -13.577 361 HG3 GLN 52 2HG GLN 52 -8.030 6.914 -13.689 362 HE21 GLN 52 1HE2 GLN 52 -9.206 6.447 -15.593 363 HE22 GLN 52 2HE2 GLN 52 -8.397 6.212 -17.101 364 H TRP 53 H TRP 53 -4.321 4.369 -10.723 365 HA TRP 53 HA TRP 53 -1.852 5.852 -11.059 366 HB2 TRP 53 1HB TRP 53 -2.970 6.723 -8.952 367 HB3 TRP 53 2HB TRP 53 -2.738 5.117 -8.267 368 HD1 TRP 53 HD TRP 53 -0.056 6.819 -10.424 369 HE1 TRP 53 1HE TRP 53 2.014 7.252 -8.958 370 HE3 TRP 53 3HE TRP 53 -1.976 5.454 -5.887 371 HZ2 TRP 53 2HZ TRP 53 2.738 7.043 -6.237 372 HZ3 TRP 53 3HZ TRP 53 -0.529 5.599 -3.902 373 HH2 TRP 53 HH TRP 53 1.779 6.377 -4.076 374 H GLU 54 H GLU 54 -0.535 4.344 -11.832 375 HA GLU 54 HA GLU 54 -0.772 1.593 -10.839 376 HB2 GLU 54 1HB GLU 54 -0.889 2.078 -13.316 377 HB3 GLU 54 2HB GLU 54 0.801 2.552 -13.230 378 HG2 GLU 54 1HG GLU 54 1.409 0.321 -12.486 379 HG3 GLU 54 2HG GLU 54 -0.285 -0.163 -12.519 380 H GLU 55 H GLU 55 0.443 1.403 -9.042 381 HA GLU 55 HA GLU 55 3.315 1.872 -9.322 382 HB2 GLU 55 1HB GLU 55 1.509 3.185 -7.357 383 HB3 GLU 55 2HB GLU 55 3.081 2.653 -6.778 384 HG2 GLU 55 1HG GLU 55 2.554 4.558 -9.045 385 HG3 GLU 55 2HG GLU 55 3.190 4.960 -7.451 386 H GLU 56 H GLU 56 4.193 -0.058 -9.004 387 HA GLU 56 HA GLU 56 2.913 -1.963 -7.203 388 HB2 GLU 56 1HB GLU 56 3.524 -2.829 -9.369 389 HB3 GLU 56 2HB GLU 56 5.175 -2.256 -9.181 390 HG2 GLU 56 1HG GLU 56 5.277 -4.553 -8.780 391 HG3 GLU 56 2HG GLU 56 5.331 -3.809 -7.183 392 H ALA 57 H ALA 57 3.978 -2.953 -5.474 393 HA ALA 57 HA ALA 57 6.348 -1.495 -4.500 394 HB1 ALA 57 3HB ALA 57 4.593 -0.979 -3.028 395 HB2 ALA 57 1HB ALA 57 4.004 -2.642 -3.013 396 HB3 ALA 57 2HB ALA 57 5.521 -2.235 -2.209 397 H THR 58 H THR 58 8.128 -2.625 -3.980 398 HA THR 58 HA THR 58 8.446 -5.284 -4.820 399 HB THR 58 HB THR 58 10.194 -3.785 -2.860 400 HG1 THR 58 1HG THR 58 9.743 -2.797 -5.021 401 HG21 THR 58 3HG2 THR 58 10.726 -6.138 -2.912 402 HG22 THR 58 1HG2 THR 58 11.973 -5.253 -3.789 403 HG23 THR 58 2HG2 THR 58 10.731 -6.137 -4.676 404 H VAL 59 H VAL 59 7.038 -6.713 -3.878 405 HA VAL 59 HA VAL 59 6.910 -6.884 -0.968 406 HB VAL 59 HB VAL 59 5.377 -8.297 -3.148 407 HG11 VAL 59 1HG1 VAL 59 4.891 -9.939 -1.737 408 HG12 VAL 59 2HG1 VAL 59 5.892 -9.195 -0.488 409 HG13 VAL 59 3HG1 VAL 59 4.188 -8.760 -0.630 410 HG21 VAL 59 3HG2 VAL 59 4.121 -6.684 -0.990 411 HG22 VAL 59 1HG2 VAL 59 4.972 -5.831 -2.278 412 HG23 VAL 59 2HG2 VAL 59 3.630 -6.905 -2.669 413 H ASN 60 H ASN 60 8.410 -8.043 0.036 414 HA ASN 60 HA ASN 60 9.928 -10.075 -1.315 415 HB2 ASN 60 1HB ASN 60 10.607 -8.423 0.644 416 HB3 ASN 60 2HB ASN 60 10.030 -9.747 1.652 417 HD21 ASN 60 1HD2 ASN 60 12.671 -8.844 1.619 418 HD22 ASN 60 2HD2 ASN 60 13.672 -10.106 0.994 419 H ARG 61 H ARG 61 9.149 -12.043 -1.655 420 HA ARG 61 HA ARG 61 6.935 -13.129 -0.260 421 HB2 ARG 61 1HB ARG 61 8.861 -14.130 -2.308 422 HB3 ARG 61 2HB ARG 61 7.882 -15.305 -1.440 423 HG2 ARG 61 1HG ARG 61 6.506 -14.924 -3.198 424 HG3 ARG 61 2HG ARG 61 5.942 -13.637 -2.130 425 HD2 ARG 61 1HD ARG 61 6.246 -12.487 -4.100 426 HD3 ARG 61 2HD ARG 61 7.803 -12.238 -3.310 427 HE ARG 61 HE ARG 61 7.266 -13.963 -5.607 428 HH11 ARG 61 1HH1 ARG 61 9.523 -12.679 -3.288 429 HH12 ARG 61 2HH1 ARG 61 10.923 -13.144 -4.197 430 HH21 ARG 61 1HH2 ARG 61 9.101 -14.580 -6.814 431 HH22 ARG 61 2HH2 ARG 61 10.681 -14.225 -6.203 432 H LEU 62 H LEU 62 10.420 -13.790 -0.130 433 HA LEU 62 HA LEU 62 10.405 -15.908 1.658 434 HB2 LEU 62 1HB LEU 62 12.680 -15.454 2.057 435 HB3 LEU 62 2HB LEU 62 12.365 -14.964 0.393 436 HG LEU 62 HG LEU 62 12.040 -12.597 1.553 437 HD11 LEU 62 1HD1 LEU 62 13.579 -12.267 3.382 438 HD12 LEU 62 2HD1 LEU 62 14.034 -13.970 3.349 439 HD13 LEU 62 3HD1 LEU 62 12.399 -13.504 3.819 440 HD21 LEU 62 3HD2 LEU 62 14.469 -12.190 1.101 441 HD22 LEU 62 1HD2 LEU 62 13.590 -12.957 -0.221 442 HD23 LEU 62 2HD2 LEU 62 14.643 -13.922 0.814 443 H GLN 63 H GLN 63 9.827 -12.536 2.213 444 HA GLN 63 HA GLN 63 10.061 -12.833 5.104 445 HB2 GLN 63 1HB GLN 63 9.307 -10.399 3.479 446 HB3 GLN 63 2HB GLN 63 9.676 -10.429 5.198 447 HG2 GLN 63 1HG GLN 63 11.947 -11.450 4.352 448 HG3 GLN 63 2HG GLN 63 11.496 -10.625 2.861 449 HE21 GLN 63 1HE2 GLN 63 11.365 -8.377 2.838 450 HE22 GLN 63 2HE2 GLN 63 12.088 -7.405 4.070 451 H SER 64 H SER 64 7.618 -12.197 2.633 452 HA SER 64 HA SER 64 5.444 -11.745 4.344 453 HB2 SER 64 1HB SER 64 5.323 -11.205 1.975 454 HB3 SER 64 2HB SER 64 5.494 -12.907 1.549 455 HG SER 64 HG SER 64 3.355 -11.809 3.059 456 H ASN 65 H ASN 65 4.054 -13.055 5.401 457 HA ASN 65 HA ASN 65 4.446 -15.962 5.119 458 HB2 ASN 65 1HB ASN 65 5.306 -14.749 7.280 459 HB3 ASN 65 2HB ASN 65 3.602 -14.749 7.727 460 HD21 ASN 65 1HD2 ASN 65 3.536 -16.220 9.301 461 HD22 ASN 65 2HD2 ASN 65 4.033 -17.867 9.140 462 H GLU 66 H GLU 66 2.493 -17.064 6.427 463 HA GLU 66 HA GLU 66 0.206 -16.671 4.876 464 HB2 GLU 66 1HB GLU 66 0.602 -18.781 5.975 465 HB3 GLU 66 2HB GLU 66 0.537 -18.020 7.558 466 HG2 GLU 66 1HG GLU 66 -1.547 -18.912 7.478 467 HG3 GLU 66 2HG GLU 66 -1.875 -17.337 6.756 468 H VAL 67 H VAL 67 1.193 -15.240 7.900 469 HA VAL 67 HA VAL 67 -1.241 -13.582 7.851 470 HB VAL 67 HB VAL 67 -1.353 -13.552 10.244 471 HG11 VAL 67 1HG1 VAL 67 -2.612 -15.352 9.636 472 HG12 VAL 67 2HG1 VAL 67 -1.253 -16.189 8.883 473 HG13 VAL 67 3HG1 VAL 67 -1.415 -16.171 10.640 474 HG21 VAL 67 3HG2 VAL 67 1.372 -14.237 10.103 475 HG22 VAL 67 1HG2 VAL 67 0.414 -13.897 11.544 476 HG23 VAL 67 2HG2 VAL 67 0.568 -15.553 10.958 477 H THR 68 H THR 68 1.364 -13.055 6.699 478 HA THR 68 HA THR 68 1.853 -10.494 7.973 479 HB THR 68 HB THR 68 4.049 -12.552 7.686 480 HG1 THR 68 1HG THR 68 2.720 -12.596 9.622 481 HG21 THR 68 3HG2 THR 68 4.991 -10.488 6.980 482 HG22 THR 68 1HG2 THR 68 5.481 -10.707 8.660 483 HG23 THR 68 2HG2 THR 68 4.171 -9.596 8.261 484 H LEU 69 H LEU 69 2.555 -8.952 6.561 485 HA LEU 69 HA LEU 69 3.347 -9.811 3.867 486 HB2 LEU 69 1HB LEU 69 1.083 -8.047 4.654 487 HB3 LEU 69 2HB LEU 69 1.968 -7.669 3.178 488 HG LEU 69 HG LEU 69 0.655 -10.329 3.713 489 HD11 LEU 69 1HD1 LEU 69 -0.460 -8.367 1.783 490 HD12 LEU 69 2HD1 LEU 69 -0.795 -8.133 3.498 491 HD13 LEU 69 3HD1 LEU 69 -1.267 -9.635 2.705 492 HD21 LEU 69 3HD2 LEU 69 1.009 -10.747 1.390 493 HD22 LEU 69 1HD2 LEU 69 2.549 -10.241 2.084 494 HD23 LEU 69 2HD2 LEU 69 1.598 -9.105 1.126 495 H THR 70 H THR 70 5.422 -9.163 3.879 496 HA THR 70 HA THR 70 6.058 -6.466 4.850 497 HB THR 70 HB THR 70 7.941 -8.729 4.155 498 HG1 THR 70 1HG THR 70 6.842 -9.242 6.034 499 HG21 THR 70 3HG2 THR 70 8.898 -6.596 5.899 500 HG22 THR 70 1HG2 THR 70 8.490 -6.032 4.280 501 HG23 THR 70 2HG2 THR 70 9.663 -7.332 4.491 502 H LEU 71 H LEU 71 6.230 -4.894 3.406 503 HA LEU 71 HA LEU 71 7.454 -5.443 0.812 504 HB2 LEU 71 1HB LEU 71 5.726 -4.363 -0.433 505 HB3 LEU 71 2HB LEU 71 5.002 -5.647 0.533 506 HG LEU 71 HG LEU 71 4.972 -2.817 1.513 507 HD11 LEU 71 1HD1 LEU 71 2.724 -3.921 -0.117 508 HD12 LEU 71 2HD1 LEU 71 4.072 -3.100 -0.902 509 HD13 LEU 71 3HD1 LEU 71 3.095 -2.246 0.293 510 HD21 LEU 71 3HD2 LEU 71 3.371 -3.540 2.964 511 HD22 LEU 71 1HD2 LEU 71 4.266 -5.046 2.757 512 HD23 LEU 71 2HD2 LEU 71 2.770 -4.780 1.861 513 H THR 72 H THR 72 7.697 -3.270 -0.421 514 HA THR 72 HA THR 72 8.690 -1.291 1.517 515 HB THR 72 HB THR 72 9.508 -1.584 -1.378 516 HG1 THR 72 1HG THR 72 11.006 -2.387 0.901 517 HG21 THR 72 3HG2 THR 72 10.971 0.119 -1.049 518 HG22 THR 72 1HG2 THR 72 11.248 -0.301 0.641 519 HG23 THR 72 2HG2 THR 72 9.797 0.590 0.180 520 H VAL 73 H VAL 73 7.791 0.665 1.600 521 HA VAL 73 HA VAL 73 5.464 1.322 0.185 522 HB VAL 73 HB VAL 73 7.341 3.256 1.548 523 HG11 VAL 73 1HG1 VAL 73 5.790 4.845 1.272 524 HG12 VAL 73 2HG1 VAL 73 5.130 3.792 0.019 525 HG13 VAL 73 3HG1 VAL 73 4.465 3.745 1.652 526 HG21 VAL 73 3HG2 VAL 73 6.222 1.101 2.748 527 HG22 VAL 73 1HG2 VAL 73 6.582 2.620 3.569 528 HG23 VAL 73 2HG2 VAL 73 4.952 2.303 2.974 529 HA PRO 74 HA PRO 74 7.230 2.614 -3.681 530 HB2 PRO 74 1HB PRO 74 4.923 3.544 -4.769 531 HB3 PRO 74 2HB PRO 74 5.300 1.822 -4.643 532 HG2 PRO 74 1HG PRO 74 3.571 3.517 -2.882 533 HG3 PRO 74 2HG PRO 74 3.277 1.880 -3.496 534 HD2 PRO 74 1HD PRO 74 4.158 2.355 -0.980 535 HD3 PRO 74 2HD PRO 74 4.614 0.902 -1.893 536 H GLU 75 H GLU 75 6.917 4.674 -5.110 537 HA GLU 75 HA GLU 75 7.188 6.986 -3.319 538 HB2 GLU 75 1HB GLU 75 9.160 6.927 -4.497 539 HB3 GLU 75 2HB GLU 75 8.411 6.228 -5.926 540 HG2 GLU 75 1HG GLU 75 7.719 8.266 -6.732 541 HG3 GLU 75 2HG GLU 75 7.738 9.022 -5.139 542 H TYR 76 H TYR 76 5.781 8.619 -3.392 543 HA TYR 76 HA TYR 76 3.416 8.420 -4.953 544 HB2 TYR 76 1HB TYR 76 3.587 9.473 -2.672 545 HB3 TYR 76 2HB TYR 76 4.393 10.842 -3.431 546 HD1 TYR 76 1HD TYR 76 1.450 8.848 -4.564 547 HD2 TYR 76 2HD TYR 76 2.917 12.628 -3.274 548 HE1 TYR 76 1HE TYR 76 -0.738 9.858 -5.054 549 HE2 TYR 76 2HE TYR 76 0.732 13.648 -3.759 550 HH TYR 76 HH TYR 76 -1.788 11.893 -5.415 551 H SER 77 H SER 77 2.601 10.111 -6.399 552 HA SER 77 HA SER 77 4.578 10.767 -8.390 553 HB2 SER 77 1HB SER 77 2.463 10.009 -9.211 554 HB3 SER 77 2HB SER 77 1.589 11.194 -8.240 555 HG SER 77 HG SER 77 3.413 11.863 -10.308 556 H ASN 78 H ASN 78 2.223 12.667 -6.500 557 HA ASN 78 HA ASN 78 3.686 15.108 -7.135 558 HB2 ASN 78 1HB ASN 78 0.998 14.498 -5.965 559 HB3 ASN 78 2HB ASN 78 1.727 16.073 -5.665 560 HD21 ASN 78 1HD2 ASN 78 1.062 17.563 -7.011 561 HD22 ASN 78 2HD2 ASN 78 0.639 17.332 -8.670 562 H LYS 79 H LYS 79 5.573 14.816 -5.923 563 HA LYS 79 HA LYS 79 5.323 14.514 -3.032 564 HB2 LYS 79 1HB LYS 79 7.708 14.565 -4.883 565 HB3 LYS 79 2HB LYS 79 7.850 14.494 -3.131 566 HG2 LYS 79 1HG LYS 79 6.249 12.425 -3.420 567 HG3 LYS 79 2HG LYS 79 6.928 12.421 -5.049 568 HD2 LYS 79 1HD LYS 79 8.777 12.645 -2.722 569 HD3 LYS 79 2HD LYS 79 8.068 11.073 -3.095 570 HE2 LYS 79 1HE LYS 79 9.970 10.971 -4.363 571 HE3 LYS 79 2HE LYS 79 8.853 11.669 -5.534 572 HZ1 LYS 79 3HZ LYS 79 11.222 12.786 -4.417 573 HZ2 LYS 79 1HZ LYS 79 9.898 13.814 -4.186 574 HZ3 LYS 79 2HZ LYS 79 10.314 13.307 -5.746 575 H ARG 80 H ARG 80 6.628 16.814 -5.401 576 HA ARG 80 HA ARG 80 7.774 18.734 -3.921 577 HB2 ARG 80 1HB ARG 80 5.815 19.049 -6.188 578 HB3 ARG 80 2HB ARG 80 6.649 20.425 -5.479 579 HG2 ARG 80 1HG ARG 80 8.769 18.908 -5.953 580 HG3 ARG 80 2HG ARG 80 7.694 18.241 -7.184 581 HD2 ARG 80 1HD ARG 80 8.220 21.188 -6.857 582 HD3 ARG 80 2HD ARG 80 9.156 20.150 -7.932 583 HE ARG 80 HE ARG 80 6.605 19.693 -8.701 584 HH11 ARG 80 1HH1 ARG 80 8.480 22.589 -8.240 585 HH12 ARG 80 2HH1 ARG 80 7.633 23.488 -9.455 586 HH21 ARG 80 1HH2 ARG 80 5.482 20.865 -10.304 587 HH22 ARG 80 2HH2 ARG 80 5.927 22.506 -10.628 588 H VAL 81 H VAL 81 4.296 18.165 -4.132 589 HA VAL 81 HA VAL 81 3.120 20.269 -2.981 590 HB VAL 81 HB VAL 81 1.562 18.763 -1.802 591 HG11 VAL 81 1HG1 VAL 81 2.312 18.532 -4.620 592 HG12 VAL 81 2HG1 VAL 81 1.368 17.171 -4.011 593 HG13 VAL 81 3HG1 VAL 81 0.734 18.812 -3.884 594 HG21 VAL 81 3HG2 VAL 81 3.512 16.605 -2.606 595 HG22 VAL 81 1HG2 VAL 81 3.149 17.131 -0.962 596 HG23 VAL 81 2HG2 VAL 81 1.909 16.329 -1.925 597 H SER 82 H SER 82 3.078 21.354 -1.094 598 HA SER 82 HA SER 82 5.104 20.721 0.870 599 HB2 SER 82 1HB SER 82 4.812 23.047 0.200 600 HB3 SER 82 2HB SER 82 3.125 23.008 0.711 601 HG SER 82 HG SER 82 4.825 22.215 2.684 602 H ARG 83 H ARG 83 1.850 19.986 0.411 603 HA ARG 83 HA ARG 83 1.451 19.496 3.287 604 HB2 ARG 83 1HB ARG 83 -0.454 20.115 1.057 605 HB3 ARG 83 2HB ARG 83 -1.017 19.240 2.474 606 HG2 ARG 83 1HG ARG 83 -0.207 21.104 3.890 607 HG3 ARG 83 2HG ARG 83 0.206 21.989 2.419 608 HD2 ARG 83 1HD ARG 83 -2.105 21.989 1.722 609 HD3 ARG 83 2HD ARG 83 -2.553 20.978 3.095 610 HE ARG 83 HE ARG 83 -2.487 22.834 4.456 611 HH11 ARG 83 1HH1 ARG 83 -1.107 23.592 1.351 612 HH12 ARG 83 2HH1 ARG 83 -1.051 25.298 1.646 613 HH21 ARG 83 1HH2 ARG 83 -2.419 25.079 4.856 614 HH22 ARG 83 2HH2 ARG 83 -1.797 26.143 3.641 615 HA PRO 84 HA PRO 84 1.440 15.153 2.660 616 HB2 PRO 84 1HB PRO 84 -0.406 14.352 4.482 617 HB3 PRO 84 2HB PRO 84 1.198 14.941 4.935 618 HG2 PRO 84 1HG PRO 84 -1.421 16.393 4.922 619 HG3 PRO 84 2HG PRO 84 -0.133 16.418 6.142 620 HD2 PRO 84 1HD PRO 84 -0.449 18.392 4.315 621 HD3 PRO 84 2HD PRO 84 1.142 17.920 4.946 622 H VAL 85 H VAL 85 0.279 13.417 1.756 623 HA VAL 85 HA VAL 85 -2.324 14.159 0.586 624 HB VAL 85 HB VAL 85 -0.218 12.339 -0.590 625 HG11 VAL 85 1HG1 VAL 85 -2.013 11.424 -1.589 626 HG12 VAL 85 2HG1 VAL 85 -3.052 12.800 -1.213 627 HG13 VAL 85 3HG1 VAL 85 -1.960 12.870 -2.597 628 HG21 VAL 85 3HG2 VAL 85 0.692 14.218 -1.366 629 HG22 VAL 85 1HG2 VAL 85 -0.762 14.437 -2.339 630 HG23 VAL 85 2HG2 VAL 85 -0.642 15.192 -0.749 631 H GLN 86 H GLN 86 -3.973 12.671 0.609 632 HA GLN 86 HA GLN 86 -3.544 10.348 2.355 633 HB2 GLN 86 1HB GLN 86 -5.228 11.821 3.211 634 HB3 GLN 86 2HB GLN 86 -6.034 11.902 1.650 635 HG2 GLN 86 1HG GLN 86 -7.391 10.456 2.793 636 HG3 GLN 86 2HG GLN 86 -6.311 9.338 1.961 637 HE21 GLN 86 1HE2 GLN 86 -5.492 7.787 3.157 638 HE22 GLN 86 2HE2 GLN 86 -5.276 7.823 4.871 639 H VAL 87 H VAL 87 -3.139 8.556 1.234 640 HA VAL 87 HA VAL 87 -4.755 8.026 -1.175 641 HB VAL 87 HB VAL 87 -2.931 6.660 -2.032 642 HG11 VAL 87 1HG1 VAL 87 -1.172 8.808 -1.702 643 HG12 VAL 87 2HG1 VAL 87 -2.325 8.561 -3.014 644 HG13 VAL 87 3HG1 VAL 87 -2.790 9.501 -1.596 645 HG21 VAL 87 3HG2 VAL 87 -0.669 7.093 -0.708 646 HG22 VAL 87 1HG2 VAL 87 -1.788 7.197 0.652 647 HG23 VAL 87 2HG2 VAL 87 -1.729 5.735 -0.332 648 H TYR 88 H TYR 88 -4.772 5.562 -1.655 649 HA TYR 88 HA TYR 88 -5.075 4.031 0.832 650 HB2 TYR 88 1HB TYR 88 -7.095 3.887 -1.403 651 HB3 TYR 88 2HB TYR 88 -7.216 3.194 0.211 652 HD1 TYR 88 2HD TYR 88 -7.366 6.317 -1.735 653 HD2 TYR 88 1HD TYR 88 -7.946 4.513 2.074 654 HE1 TYR 88 2HE TYR 88 -8.540 8.336 -0.964 655 HE2 TYR 88 1HE TYR 88 -9.123 6.526 2.855 656 HH TYR 88 HH TYR 88 -9.814 9.214 0.669 657 H PHE 89 H PHE 89 -4.885 1.761 0.603 658 HA PHE 89 HA PHE 89 -4.038 0.746 -2.001 659 HB2 PHE 89 1HB PHE 89 -2.029 -0.313 -1.015 660 HB3 PHE 89 2HB PHE 89 -1.954 1.445 -0.958 661 HD1 PHE 89 2HD PHE 89 -2.738 -1.547 1.087 662 HD2 PHE 89 1HD PHE 89 -1.610 2.557 1.060 663 HE1 PHE 89 2HE PHE 89 -2.322 -1.649 3.510 664 HE2 PHE 89 1HE PHE 89 -1.192 2.462 3.482 665 HZ PHE 89 HZ PHE 89 -1.549 0.357 4.711 666 H TYR 90 H TYR 90 -4.061 -1.567 -2.152 667 HA TYR 90 HA TYR 90 -5.265 -3.031 0.063 668 HB2 TYR 90 1HB TYR 90 -7.067 -3.929 -1.346 669 HB3 TYR 90 2HB TYR 90 -7.192 -2.181 -1.187 670 HD1 TYR 90 2HD TYR 90 -6.397 -0.734 -3.101 671 HD2 TYR 90 1HD TYR 90 -6.880 -4.945 -3.465 672 HE1 TYR 90 2HE TYR 90 -6.445 -0.511 -5.550 673 HE2 TYR 90 1HE TYR 90 -6.928 -4.734 -5.915 674 HH TYR 90 HH TYR 90 -6.121 -3.133 -7.640 675 H VAL 91 H VAL 91 -5.555 -5.417 -0.622 676 HA VAL 91 HA VAL 91 -3.152 -6.205 -2.131 677 HB VAL 91 HB VAL 91 -4.608 -7.729 0.033 678 HG11 VAL 91 1HG1 VAL 91 -2.862 -9.370 -0.129 679 HG12 VAL 91 2HG1 VAL 91 -3.574 -9.148 -1.728 680 HG13 VAL 91 3HG1 VAL 91 -2.016 -8.414 -1.346 681 HG21 VAL 91 3HG2 VAL 91 -3.286 -6.735 1.521 682 HG22 VAL 91 1HG2 VAL 91 -1.850 -7.117 0.572 683 HG23 VAL 91 2HG2 VAL 91 -2.756 -5.640 0.244 684 H SER 92 H SER 92 -3.549 -7.006 -4.076 685 HA SER 92 HA SER 92 -6.179 -8.015 -4.755 686 HB2 SER 92 1HB SER 92 -4.881 -8.377 -7.033 687 HB3 SER 92 2HB SER 92 -5.383 -6.764 -6.525 688 HG SER 92 HG SER 92 -3.139 -6.985 -7.225 689 H ASN 93 H ASN 93 -6.716 -10.061 -4.438 690 HA ASN 93 HA ASN 93 -4.712 -12.148 -4.934 691 HB2 ASN 93 1HB ASN 93 -6.572 -12.034 -2.549 692 HB3 ASN 93 2HB ASN 93 -5.553 -13.408 -2.969 693 HD21 ASN 93 1HD2 ASN 93 -5.301 -12.324 -0.525 694 HD22 ASN 93 2HD2 ASN 93 -3.813 -11.457 -0.392 695 H GLY 94 H GLY 94 -5.504 -13.118 -6.699 696 HA2 GLY 94 1HA GLY 94 -6.894 -14.594 -7.831 697 HA3 GLY 94 2HA GLY 94 -8.053 -14.466 -6.516 698 H ARG 95 H ARG 95 -9.901 -14.050 -7.604 699 HA ARG 95 HA ARG 95 -9.932 -11.628 -9.282 700 HB2 ARG 95 1HB ARG 95 -11.752 -12.650 -10.579 701 HB3 ARG 95 2HB ARG 95 -10.281 -13.611 -10.654 702 HG2 ARG 95 1HG ARG 95 -11.161 -15.229 -9.154 703 HG3 ARG 95 2HG ARG 95 -12.544 -14.203 -8.766 704 HD2 ARG 95 1HD ARG 95 -13.453 -15.709 -10.266 705 HD3 ARG 95 2HD ARG 95 -13.043 -14.344 -11.305 706 HE ARG 95 HE ARG 95 -10.996 -16.370 -11.097 707 HH11 ARG 95 1HH1 ARG 95 -13.800 -15.245 -12.825 708 HH12 ARG 95 2HH1 ARG 95 -13.404 -16.095 -14.283 709 HH21 ARG 95 1HH2 ARG 95 -10.463 -17.493 -13.009 710 HH22 ARG 95 2HH2 ARG 95 -11.506 -17.374 -14.386 711 H ARG 96 H ARG 96 -11.667 -13.619 -6.951 712 HA ARG 96 HA ARG 96 -13.645 -11.488 -6.578 713 HB2 ARG 96 1HB ARG 96 -14.211 -14.016 -6.858 714 HB3 ARG 96 2HB ARG 96 -13.721 -14.138 -5.173 715 HG2 ARG 96 1HG ARG 96 -15.688 -12.038 -5.901 716 HG3 ARG 96 2HG ARG 96 -16.229 -13.717 -5.871 717 HD2 ARG 96 1HD ARG 96 -15.840 -13.939 -3.605 718 HD3 ARG 96 2HD ARG 96 -14.664 -12.626 -3.574 719 HE ARG 96 HE ARG 96 -16.384 -11.119 -3.302 720 HH11 ARG 96 1HH1 ARG 96 -17.669 -14.254 -4.104 721 HH12 ARG 96 2HH1 ARG 96 -19.307 -13.818 -3.746 722 HH21 ARG 96 1HH2 ARG 96 -18.537 -10.534 -2.828 723 HH22 ARG 96 2HH2 ARG 96 -19.800 -11.702 -3.021 724 H LYS 97 H LYS 97 -11.353 -13.479 -4.740 725 HA LYS 97 HA LYS 97 -11.786 -12.264 -2.239 726 HB2 LYS 97 1HB LYS 97 -9.367 -13.690 -3.354 727 HB3 LYS 97 2HB LYS 97 -9.523 -13.197 -1.673 728 HG2 LYS 97 1HG LYS 97 -11.108 -14.785 -1.207 729 HG3 LYS 97 2HG LYS 97 -11.658 -14.882 -2.882 730 HD2 LYS 97 1HD LYS 97 -9.435 -15.928 -3.436 731 HD3 LYS 97 2HD LYS 97 -9.130 -16.020 -1.700 732 HE2 LYS 97 1HE LYS 97 -11.492 -17.259 -3.110 733 HE3 LYS 97 2HE LYS 97 -10.026 -18.124 -2.650 734 HZ1 LYS 97 3HZ LYS 97 -11.308 -16.646 -0.514 735 HZ2 LYS 97 1HZ LYS 97 -10.645 -18.203 -0.510 736 HZ3 LYS 97 2HZ LYS 97 -12.203 -17.950 -1.115 737 H ARG 98 H ARG 98 -11.343 -10.273 -1.585 738 HA ARG 98 HA ARG 98 -8.952 -8.923 -2.592 739 HB2 ARG 98 1HB ARG 98 -11.771 -8.015 -2.943 740 HB3 ARG 98 2HB ARG 98 -10.543 -6.800 -2.614 741 HG2 ARG 98 1HG ARG 98 -9.252 -7.870 -4.558 742 HG3 ARG 98 2HG ARG 98 -10.790 -8.631 -4.968 743 HD2 ARG 98 1HD ARG 98 -10.512 -5.667 -4.549 744 HD3 ARG 98 2HD ARG 98 -10.252 -6.428 -6.118 745 HE ARG 98 HE ARG 98 -12.764 -7.124 -4.917 746 HH11 ARG 98 1HH1 ARG 98 -11.084 -4.766 -6.851 747 HH12 ARG 98 2HH1 ARG 98 -12.521 -4.184 -7.624 748 HH21 ARG 98 1HH2 ARG 98 -14.663 -6.366 -5.928 749 HH22 ARG 98 2HH2 ARG 98 -14.556 -5.094 -7.097 750 H SER 99 H SER 99 -8.401 -6.986 -1.303 751 HA SER 99 HA SER 99 -9.219 -7.362 1.500 752 HB2 SER 99 1HB SER 99 -6.726 -7.603 0.608 753 HB3 SER 99 2HB SER 99 -6.744 -5.850 0.796 754 HG SER 99 HG SER 99 -6.273 -6.351 2.794 755 HA PRO 100 HA PRO 100 -11.041 -3.357 1.506 756 HB2 PRO 100 1HB PRO 100 -10.901 -2.821 4.164 757 HB3 PRO 100 2HB PRO 100 -12.044 -3.981 3.477 758 HG2 PRO 100 1HG PRO 100 -9.410 -4.479 4.811 759 HG3 PRO 100 2HG PRO 100 -10.943 -5.350 5.002 760 HD2 PRO 100 1HD PRO 100 -8.924 -6.276 3.454 761 HD3 PRO 100 2HD PRO 100 -10.632 -6.573 3.074 762 H THR 101 H THR 101 -10.098 -1.555 0.806 763 HA THR 101 HA THR 101 -7.413 -0.890 1.120 764 HB THR 101 HB THR 101 -8.279 1.507 0.542 765 HG1 THR 101 1HG THR 101 -10.493 0.597 -0.625 766 HG21 THR 101 3HG2 THR 101 -7.187 0.013 -1.054 767 HG22 THR 101 1HG2 THR 101 -8.536 0.860 -1.811 768 HG23 THR 101 2HG2 THR 101 -8.714 -0.826 -1.326 769 H GLN 102 H GLN 102 -6.269 0.294 2.562 770 HA GLN 102 HA GLN 102 -7.667 1.086 5.012 771 HB2 GLN 102 1HB GLN 102 -4.904 0.199 4.372 772 HB3 GLN 102 2HB GLN 102 -5.092 1.345 5.692 773 HG2 GLN 102 1HG GLN 102 -5.096 -0.840 6.618 774 HG3 GLN 102 2HG GLN 102 -6.740 -0.212 6.719 775 HE21 GLN 102 1HE2 GLN 102 -8.311 -1.468 6.010 776 HE22 GLN 102 2HE2 GLN 102 -8.125 -2.839 4.976 777 H SER 103 H SER 103 -6.604 3.023 6.156 778 HA SER 103 HA SER 103 -6.535 5.219 4.222 779 HB2 SER 103 1HB SER 103 -6.878 6.657 6.260 780 HB3 SER 103 2HB SER 103 -8.180 5.508 5.953 781 HG SER 103 HG SER 103 -7.759 5.221 8.055 782 H PHE 104 H PHE 104 -4.557 5.716 3.538 783 HA PHE 104 HA PHE 104 -2.395 5.867 5.534 784 HB2 PHE 104 1HB PHE 104 -2.347 4.107 3.549 785 HB3 PHE 104 2HB PHE 104 -1.763 5.498 2.641 786 HD1 PHE 104 2HD PHE 104 -1.105 3.478 5.684 787 HD2 PHE 104 1HD PHE 104 0.474 6.123 2.747 788 HE1 PHE 104 2HE PHE 104 1.162 3.089 6.557 789 HE2 PHE 104 1HE PHE 104 2.744 5.737 3.614 790 HZ PHE 104 HZ PHE 104 3.090 4.219 5.522 791 H ARG 105 H ARG 105 -0.986 7.614 5.435 792 HA ARG 105 HA ARG 105 -1.574 9.713 3.475 793 HB2 ARG 105 1HB ARG 105 -2.898 10.352 5.373 794 HB3 ARG 105 2HB ARG 105 -1.559 10.058 6.474 795 HG2 ARG 105 1HG ARG 105 -1.158 12.059 4.324 796 HG3 ARG 105 2HG ARG 105 -2.217 12.488 5.668 797 HD2 ARG 105 1HD ARG 105 0.568 11.403 6.032 798 HD3 ARG 105 2HD ARG 105 0.206 13.126 5.937 799 HE ARG 105 HE ARG 105 -0.123 11.460 8.197 800 HH11 ARG 105 1HH1 ARG 105 -1.635 14.096 6.499 801 HH12 ARG 105 2HH1 ARG 105 -2.407 14.735 7.912 802 HH21 ARG 105 1HH2 ARG 105 -1.134 12.292 10.065 803 HH22 ARG 105 2HH2 ARG 105 -2.121 13.709 9.940 804 H PHE 106 H PHE 106 0.217 10.560 2.634 805 HA PHE 106 HA PHE 106 2.787 9.816 3.784 806 HB2 PHE 106 1HB PHE 106 2.028 11.084 1.148 807 HB3 PHE 106 2HB PHE 106 3.692 10.787 1.642 808 HD1 PHE 106 1HD PHE 106 3.792 8.200 2.731 809 HD2 PHE 106 2HD PHE 106 1.354 9.607 -0.461 810 HE1 PHE 106 1HE PHE 106 3.651 5.912 1.836 811 HE2 PHE 106 2HE PHE 106 1.208 7.322 -1.361 812 HZ PHE 106 HZ PHE 106 2.356 5.471 -0.213 813 H LEU 107 H LEU 107 4.171 11.189 4.741 814 HA LEU 107 HA LEU 107 3.253 13.917 5.209 815 HB2 LEU 107 1HB LEU 107 5.616 12.486 6.410 816 HB3 LEU 107 2HB LEU 107 4.899 13.998 6.963 817 HG LEU 107 HG LEU 107 3.429 11.369 7.001 818 HD11 LEU 107 1HD1 LEU 107 5.657 11.839 8.478 819 HD12 LEU 107 2HD1 LEU 107 4.322 10.802 8.977 820 HD13 LEU 107 3HD1 LEU 107 4.399 12.472 9.538 821 HD21 LEU 107 3HD2 LEU 107 2.666 14.065 7.442 822 HD22 LEU 107 1HD2 LEU 107 2.624 13.225 8.993 823 HD23 LEU 107 2HD2 LEU 107 1.697 12.602 7.628 824 HA PRO 108 HA PRO 108 6.042 15.663 2.270 825 HB2 PRO 108 1HB PRO 108 6.054 18.208 3.213 826 HB3 PRO 108 2HB PRO 108 4.689 17.519 2.327 827 HG2 PRO 108 1HG PRO 108 5.054 17.856 5.279 828 HG3 PRO 108 2HG PRO 108 3.616 18.161 4.287 829 HD2 PRO 108 1HD PRO 108 3.917 15.912 5.765 830 HD3 PRO 108 2HD PRO 108 3.031 15.933 4.227 831 H VAL 109 H VAL 109 8.044 14.773 2.638 832 HA VAL 109 HA VAL 109 9.652 14.854 4.833 833 HB VAL 109 HB VAL 109 10.592 15.147 1.976 834 HG11 VAL 109 1HG1 VAL 109 12.122 15.457 4.184 835 HG12 VAL 109 2HG1 VAL 109 12.241 13.712 3.944 836 HG13 VAL 109 3HG1 VAL 109 12.714 14.816 2.652 837 HG21 VAL 109 3HG2 VAL 109 9.150 13.216 2.247 838 HG22 VAL 109 1HG2 VAL 109 10.823 12.696 2.049 839 HG23 VAL 109 2HG2 VAL 109 10.080 12.688 3.649 840 H ILE 110 H ILE 110 9.156 17.420 2.479 841 HA ILE 110 HA ILE 110 11.111 19.192 2.793 842 HB ILE 110 HB ILE 110 8.181 19.872 3.067 843 HG12 ILE 110 1HG1 ILE 110 9.788 20.266 0.580 844 HG13 ILE 110 2HG1 ILE 110 9.241 18.641 0.976 845 HG21 ILE 110 1HG2 ILE 110 10.502 21.659 2.349 846 HG22 ILE 110 2HG2 ILE 110 8.801 22.120 2.355 847 HG23 ILE 110 3HG2 ILE 110 9.604 21.693 3.866 848 HD11 ILE 110 3HD1 ILE 110 6.997 20.243 1.307 849 HD12 ILE 110 1HD1 ILE 110 7.782 20.849 -0.151 850 HD13 ILE 110 2HD1 ILE 110 7.339 19.146 -0.031 851 H CYS 111 H CYS 111 8.665 18.538 5.265 852 HA CYS 111 HA CYS 111 9.353 20.512 7.100 853 HB2 CYS 111 1HB CYS 111 8.141 17.779 7.385 854 HB3 CYS 111 2HB CYS 111 8.502 18.745 8.810 855 HG CYS 111 HG CYS 111 6.161 19.793 8.766 856 H LYS 112 H LYS 112 10.812 20.661 8.759 857 HA LYS 112 HA LYS 112 13.128 18.901 8.558 858 HB2 LYS 112 1HB LYS 112 14.344 20.572 9.720 859 HB3 LYS 112 2HB LYS 112 13.311 21.428 8.583 860 HG2 LYS 112 1HG LYS 112 11.752 21.962 10.361 861 HG3 LYS 112 2HG LYS 112 12.725 21.043 11.512 862 HD2 LYS 112 1HD LYS 112 13.417 23.221 11.898 863 HD3 LYS 112 2HD LYS 112 14.641 22.629 10.772 864 HE2 LYS 112 1HE LYS 112 13.824 23.882 9.019 865 HE3 LYS 112 2HE LYS 112 12.200 23.969 9.700 866 HZ1 LYS 112 3HZ LYS 112 14.443 25.725 10.086 867 HZ2 LYS 112 1HZ LYS 112 13.698 25.271 11.535 868 HZ3 LYS 112 2HZ LYS 112 12.792 26.014 10.315 869 H GLU 113 H GLU 113 14.255 18.402 10.701 870 HA GLU 113 HA GLU 113 12.734 18.172 13.076 871 HB2 GLU 113 1HB GLU 113 11.514 16.473 11.837 872 HB3 GLU 113 2HB GLU 113 13.016 15.664 11.414 873 HG2 GLU 113 1HG GLU 113 12.265 14.367 13.145 874 HG3 GLU 113 2HG GLU 113 13.336 15.487 13.985 875 H GLU 114 H GLU 114 14.023 17.695 14.794 876 HA GLU 114 HA GLU 114 16.570 16.370 14.411 877 HB2 GLU 114 1HB GLU 114 16.877 18.856 13.892 878 HB3 GLU 114 2HB GLU 114 16.577 19.137 15.602 879 HG2 GLU 114 1HG GLU 114 18.661 17.163 14.834 880 HG3 GLU 114 2HG GLU 114 19.013 18.881 14.658 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -8.353 -30.596 11.493 2 HA2 GLY 1 1HA GLY 1 -10.053 -28.633 12.862 3 HA3 GLY 1 2HA GLY 1 -8.382 -29.002 13.261 4 H SER 2 H SER 2 -10.421 -26.818 11.770 5 HA SER 2 HA SER 2 -8.203 -25.658 10.215 6 HB2 SER 2 1HB SER 2 -11.142 -25.794 9.735 7 HB3 SER 2 2HB SER 2 -10.292 -24.346 9.196 8 HG SER 2 HG SER 2 -9.949 -27.018 8.378 9 H SER 3 H SER 3 -8.366 -23.218 10.023 10 HA SER 3 HA SER 3 -8.663 -22.135 12.712 11 HB2 SER 3 1HB SER 3 -7.493 -20.140 11.741 12 HB3 SER 3 2HB SER 3 -6.572 -21.638 11.615 13 HG SER 3 HG SER 3 -7.084 -20.044 9.673 14 H GLY 4 H GLY 4 -9.564 -21.130 9.404 15 HA2 GLY 4 1HA GLY 4 -12.142 -20.710 9.419 16 HA3 GLY 4 2HA GLY 4 -11.676 -19.448 10.550 17 H SER 5 H SER 5 -9.977 -20.506 7.630 18 HA SER 5 HA SER 5 -9.798 -17.770 6.729 19 HB2 SER 5 1HB SER 5 -8.379 -18.655 4.953 20 HB3 SER 5 2HB SER 5 -7.888 -19.336 6.504 21 HG SER 5 HG SER 5 -9.088 -20.564 4.314 22 H SER 6 H SER 6 -11.488 -16.873 5.753 23 HA SER 6 HA SER 6 -13.399 -18.460 4.279 24 HB2 SER 6 1HB SER 6 -14.333 -16.040 3.834 25 HB3 SER 6 2HB SER 6 -14.489 -16.769 5.432 26 HG SER 6 HG SER 6 -12.258 -15.179 4.761 27 H GLY 7 H GLY 7 -10.448 -17.564 3.468 28 HA2 GLY 7 1HA GLY 7 -9.545 -17.757 1.299 29 HA3 GLY 7 2HA GLY 7 -11.129 -17.392 0.632 30 H LEU 8 H LEU 8 -11.823 -15.044 1.700 31 HA LEU 8 HA LEU 8 -10.288 -13.184 0.252 32 HB2 LEU 8 1HB LEU 8 -12.251 -12.651 2.477 33 HB3 LEU 8 2HB LEU 8 -11.693 -11.485 1.278 34 HG LEU 8 HG LEU 8 -13.061 -13.950 0.320 35 HD11 LEU 8 1HD1 LEU 8 -15.070 -12.044 0.609 36 HD12 LEU 8 2HD1 LEU 8 -14.246 -12.081 2.167 37 HD13 LEU 8 3HD1 LEU 8 -14.910 -13.565 1.486 38 HD21 LEU 8 3HD2 LEU 8 -12.666 -11.127 -0.574 39 HD22 LEU 8 1HD2 LEU 8 -14.021 -12.067 -1.201 40 HD23 LEU 8 2HD2 LEU 8 -12.369 -12.634 -1.442 41 HA PRO 9 HA PRO 9 -7.013 -12.332 3.090 42 HB2 PRO 9 1HB PRO 9 -6.153 -10.011 1.974 43 HB3 PRO 9 2HB PRO 9 -5.836 -11.596 1.259 44 HG2 PRO 9 1HG PRO 9 -7.938 -9.586 0.551 45 HG3 PRO 9 2HG PRO 9 -6.912 -10.557 -0.521 46 HD2 PRO 9 1HD PRO 9 -9.484 -11.209 0.018 47 HD3 PRO 9 2HD PRO 9 -8.236 -12.431 -0.297 48 H GLN 10 H GLN 10 -6.650 -11.109 4.903 49 HA GLN 10 HA GLN 10 -8.517 -8.886 5.402 50 HB2 GLN 10 1HB GLN 10 -7.552 -10.962 7.375 51 HB3 GLN 10 2HB GLN 10 -8.539 -9.565 7.782 52 HG2 GLN 10 1HG GLN 10 -10.351 -10.400 6.424 53 HG3 GLN 10 2HG GLN 10 -9.359 -11.755 5.889 54 HE21 GLN 10 1HE2 GLN 10 -11.573 -12.589 6.844 55 HE22 GLN 10 2HE2 GLN 10 -11.463 -13.155 8.473 56 H VAL 11 H VAL 11 -7.764 -7.235 6.853 57 HA VAL 11 HA VAL 11 -4.842 -7.149 7.188 58 HB VAL 11 HB VAL 11 -6.585 -4.913 6.146 59 HG11 VAL 11 1HG1 VAL 11 -4.374 -3.684 6.007 60 HG12 VAL 11 2HG1 VAL 11 -5.055 -3.885 7.622 61 HG13 VAL 11 3HG1 VAL 11 -3.729 -4.918 7.088 62 HG21 VAL 11 3HG2 VAL 11 -6.025 -6.431 4.394 63 HG22 VAL 11 1HG2 VAL 11 -4.976 -5.024 4.226 64 HG23 VAL 11 2HG2 VAL 11 -4.345 -6.516 4.923 65 H GLU 12 H GLU 12 -4.977 -7.576 9.383 66 HA GLU 12 HA GLU 12 -6.752 -6.389 11.189 67 HB2 GLU 12 1HB GLU 12 -5.024 -8.363 11.451 68 HB3 GLU 12 2HB GLU 12 -3.974 -7.084 12.044 69 HG2 GLU 12 1HG GLU 12 -5.262 -6.700 13.910 70 HG3 GLU 12 2HG GLU 12 -6.717 -7.369 13.173 71 H ALA 13 H ALA 13 -3.277 -5.629 10.936 72 HA ALA 13 HA ALA 13 -3.900 -2.782 11.143 73 HB1 ALA 13 3HB ALA 13 -2.634 -2.369 13.052 74 HB2 ALA 13 1HB ALA 13 -3.511 -3.846 13.453 75 HB3 ALA 13 2HB ALA 13 -1.817 -3.930 12.967 76 H TYR 14 H TYR 14 -1.931 -1.424 10.807 77 HA TYR 14 HA TYR 14 0.203 -2.771 9.326 78 HB2 TYR 14 1HB TYR 14 0.020 -1.027 7.521 79 HB3 TYR 14 2HB TYR 14 -1.308 -2.182 7.566 80 HD1 TYR 14 1HD TYR 14 -0.326 1.297 8.241 81 HD2 TYR 14 2HD TYR 14 -3.545 -1.482 8.109 82 HE1 TYR 14 1HE TYR 14 -1.930 3.158 8.365 83 HE2 TYR 14 2HE TYR 14 -5.157 0.371 8.231 84 HH TYR 14 HH TYR 14 -5.434 2.568 8.322 85 H SER 15 H SER 15 2.171 -1.781 9.458 86 HA SER 15 HA SER 15 2.364 0.899 10.584 87 HB2 SER 15 1HB SER 15 2.365 -0.949 12.429 88 HB3 SER 15 2HB SER 15 4.006 -1.264 11.866 89 HG SER 15 HG SER 15 4.370 0.266 13.314 90 HA PRO 16 HA PRO 16 3.955 2.259 11.256 91 HB2 PRO 16 1HB PRO 16 4.659 4.456 9.825 92 HB3 PRO 16 2HB PRO 16 5.813 3.527 10.790 93 HG2 PRO 16 1HG PRO 16 5.300 3.432 7.842 94 HG3 PRO 16 2HG PRO 16 6.846 3.421 8.709 95 HD2 PRO 16 1HD PRO 16 5.715 1.169 7.719 96 HD3 PRO 16 2HD PRO 16 6.702 1.173 9.196 97 H SER 17 H SER 17 2.381 4.031 11.185 98 HA SER 17 HA SER 17 0.192 3.384 9.436 99 HB2 SER 17 1HB SER 17 -1.082 4.979 10.736 100 HB3 SER 17 2HB SER 17 -0.109 4.006 11.840 101 HG SER 17 HG SER 17 1.431 5.763 11.797 102 H ALA 18 H ALA 18 2.716 5.739 9.525 103 HA ALA 18 HA ALA 18 1.723 6.872 7.019 104 HB1 ALA 18 3HB ALA 18 1.685 8.262 9.522 105 HB2 ALA 18 1HB ALA 18 2.813 9.051 8.420 106 HB3 ALA 18 2HB ALA 18 1.135 8.804 7.936 107 H CYS 19 H CYS 19 3.364 7.957 5.773 108 HA CYS 19 HA CYS 19 6.113 7.800 6.635 109 HB2 CYS 19 1HB CYS 19 4.934 5.834 4.739 110 HB3 CYS 19 2HB CYS 19 6.529 6.467 4.352 111 HG CYS 19 HG CYS 19 7.863 5.368 6.375 112 H SER 20 H SER 20 7.593 8.448 4.726 113 HA SER 20 HA SER 20 6.765 10.980 3.820 114 HB2 SER 20 1HB SER 20 9.076 9.223 2.974 115 HB3 SER 20 2HB SER 20 8.856 10.880 2.414 116 HG SER 20 HG SER 20 10.241 10.568 4.316 117 H VAL 21 H VAL 21 6.986 11.593 1.415 118 HA VAL 21 HA VAL 21 4.982 10.099 -0.019 119 HB VAL 21 HB VAL 21 5.508 11.868 -1.828 120 HG11 VAL 21 1HG1 VAL 21 4.216 13.593 -0.558 121 HG12 VAL 21 2HG1 VAL 21 3.501 11.979 -0.535 122 HG13 VAL 21 3HG1 VAL 21 4.379 12.577 0.874 123 HG21 VAL 21 3HG2 VAL 21 7.724 12.418 -0.663 124 HG22 VAL 21 1HG2 VAL 21 6.739 13.766 -1.232 125 HG23 VAL 21 2HG2 VAL 21 6.744 13.338 0.479 126 H ARG 22 H ARG 22 8.366 10.046 0.173 127 HA ARG 22 HA ARG 22 8.772 9.053 -2.526 128 HB2 ARG 22 1HB ARG 22 11.165 8.735 -1.617 129 HB3 ARG 22 2HB ARG 22 10.567 10.375 -1.833 130 HG2 ARG 22 1HG ARG 22 10.190 10.633 0.499 131 HG3 ARG 22 2HG ARG 22 10.485 8.919 0.796 132 HD2 ARG 22 1HD ARG 22 12.482 9.916 1.439 133 HD3 ARG 22 2HD ARG 22 12.816 9.374 -0.205 134 HE ARG 22 HE ARG 22 12.599 12.107 0.723 135 HH11 ARG 22 1HH1 ARG 22 12.641 9.945 -2.006 136 HH12 ARG 22 2HH1 ARG 22 13.093 11.175 -3.139 137 HH21 ARG 22 1HH2 ARG 22 13.194 13.735 -0.760 138 HH22 ARG 22 2HH2 ARG 22 13.408 13.330 -2.429 139 H GLY 23 H GLY 23 8.519 7.838 0.747 140 HA2 GLY 23 1HA GLY 23 8.166 5.690 1.502 141 HA3 GLY 23 2HA GLY 23 8.022 5.184 -0.175 142 H GLY 24 H GLY 24 9.169 3.276 0.821 143 HA2 GLY 24 1HA GLY 24 11.234 2.191 0.193 144 HA3 GLY 24 2HA GLY 24 12.072 3.699 0.527 145 H GLU 25 H GLU 25 9.624 2.308 2.622 146 HA GLU 25 HA GLU 25 11.737 1.735 4.596 147 HB2 GLU 25 1HB GLU 25 8.956 2.818 5.075 148 HB3 GLU 25 2HB GLU 25 10.063 2.317 6.346 149 HG2 GLU 25 1HG GLU 25 10.031 4.746 6.023 150 HG3 GLU 25 2HG GLU 25 11.623 4.046 5.732 151 H GLU 26 H GLU 26 10.887 0.222 6.372 152 HA GLU 26 HA GLU 26 9.924 -2.161 5.062 153 HB2 GLU 26 1HB GLU 26 11.766 -2.158 6.765 154 HB3 GLU 26 2HB GLU 26 10.566 -1.758 7.986 155 HG2 GLU 26 1HG GLU 26 9.502 -3.834 7.785 156 HG3 GLU 26 2HG GLU 26 10.308 -4.193 6.259 157 H LEU 27 H LEU 27 7.785 -2.027 4.594 158 HA LEU 27 HA LEU 27 5.922 -1.212 6.697 159 HB2 LEU 27 1HB LEU 27 5.604 -0.177 4.540 160 HB3 LEU 27 2HB LEU 27 5.521 -1.755 3.760 161 HG LEU 27 HG LEU 27 3.425 -2.187 5.075 162 HD11 LEU 27 1HD1 LEU 27 2.520 -0.680 6.475 163 HD12 LEU 27 2HD1 LEU 27 3.023 0.695 5.492 164 HD13 LEU 27 3HD1 LEU 27 4.173 -0.076 6.584 165 HD21 LEU 27 3HD2 LEU 27 2.786 0.227 3.538 166 HD22 LEU 27 1HD2 LEU 27 2.226 -1.433 3.335 167 HD23 LEU 27 2HD2 LEU 27 3.790 -0.945 2.684 168 H VAL 28 H VAL 28 5.212 -2.757 8.003 169 HA VAL 28 HA VAL 28 4.970 -5.499 6.983 170 HB VAL 28 HB VAL 28 4.962 -4.490 9.832 171 HG11 VAL 28 1HG1 VAL 28 5.443 -7.152 9.988 172 HG12 VAL 28 2HG1 VAL 28 3.852 -6.415 10.190 173 HG13 VAL 28 3HG1 VAL 28 4.319 -7.094 8.630 174 HG21 VAL 28 3HG2 VAL 28 7.179 -4.603 9.761 175 HG22 VAL 28 1HG2 VAL 28 7.096 -6.282 9.227 176 HG23 VAL 28 2HG2 VAL 28 7.093 -4.978 8.040 177 H LEU 29 H LEU 29 3.020 -6.036 6.269 178 HA LEU 29 HA LEU 29 0.653 -4.696 7.309 179 HB2 LEU 29 1HB LEU 29 1.057 -6.631 5.037 180 HB3 LEU 29 2HB LEU 29 -0.513 -5.984 5.507 181 HG LEU 29 HG LEU 29 1.774 -4.219 4.666 182 HD11 LEU 29 1HD1 LEU 29 0.340 -4.137 2.493 183 HD12 LEU 29 2HD1 LEU 29 -0.192 -5.736 3.010 184 HD13 LEU 29 3HD1 LEU 29 1.520 -5.427 2.724 185 HD21 LEU 29 3HD2 LEU 29 -1.176 -3.869 5.085 186 HD22 LEU 29 1HD2 LEU 29 -0.253 -2.766 4.063 187 HD23 LEU 29 2HD2 LEU 29 0.161 -2.942 5.768 188 H THR 30 H THR 30 -0.155 -5.507 9.131 189 HA THR 30 HA THR 30 0.083 -8.330 9.749 190 HB THR 30 HB THR 30 -1.315 -6.184 11.354 191 HG1 THR 30 1HG THR 30 0.853 -5.616 11.140 192 HG21 THR 30 3HG2 THR 30 -0.425 -7.951 13.157 193 HG22 THR 30 1HG2 THR 30 -0.658 -9.040 11.790 194 HG23 THR 30 2HG2 THR 30 -2.010 -8.083 12.395 195 H GLY 31 H GLY 31 -1.528 -9.816 9.724 196 HA2 GLY 31 1HA GLY 31 -4.264 -9.363 9.839 197 HA3 GLY 31 2HA GLY 31 -3.828 -9.310 8.137 198 H SER 32 H SER 32 -4.579 -11.160 7.309 199 HA SER 32 HA SER 32 -3.320 -13.621 7.966 200 HB2 SER 32 1HB SER 32 -5.295 -14.855 8.746 201 HB3 SER 32 2HB SER 32 -4.903 -13.537 9.850 202 HG SER 32 HG SER 32 -6.740 -13.111 7.769 203 H ASN 33 H ASN 33 -4.456 -15.487 6.752 204 HA ASN 33 HA ASN 33 -5.123 -16.375 4.768 205 HB2 ASN 33 1HB ASN 33 -6.832 -13.915 4.931 206 HB3 ASN 33 2HB ASN 33 -6.853 -14.902 3.473 207 HD21 ASN 33 1HD2 ASN 33 -8.709 -15.960 3.524 208 HD22 ASN 33 2HD2 ASN 33 -9.295 -16.900 4.851 209 H PHE 34 H PHE 34 -2.687 -15.011 4.800 210 HA PHE 34 HA PHE 34 -2.585 -13.463 2.329 211 HB2 PHE 34 1HB PHE 34 -0.446 -14.091 4.373 212 HB3 PHE 34 2HB PHE 34 -0.210 -13.079 2.952 213 HD1 PHE 34 1HD PHE 34 -2.773 -11.574 2.963 214 HD2 PHE 34 2HD PHE 34 -0.120 -12.597 6.130 215 HE1 PHE 34 1HE PHE 34 -3.539 -9.611 4.234 216 HE2 PHE 34 2HE PHE 34 -0.882 -10.636 7.406 217 HZ PHE 34 HZ PHE 34 -2.594 -9.141 6.459 218 H LEU 35 H LEU 35 -1.285 -14.030 0.560 219 HA LEU 35 HA LEU 35 -0.559 -16.884 0.446 220 HB2 LEU 35 1HB LEU 35 -1.629 -15.062 -1.698 221 HB3 LEU 35 2HB LEU 35 -0.944 -16.652 -2.028 222 HG LEU 35 HG LEU 35 -3.216 -16.415 -0.106 223 HD11 LEU 35 1HD1 LEU 35 -3.901 -16.879 -2.938 224 HD12 LEU 35 2HD1 LEU 35 -3.515 -15.218 -2.488 225 HD13 LEU 35 3HD1 LEU 35 -4.816 -16.076 -1.661 226 HD21 LEU 35 3HD2 LEU 35 -1.725 -18.507 -0.986 227 HD22 LEU 35 1HD2 LEU 35 -3.082 -18.552 -2.112 228 HD23 LEU 35 2HD2 LEU 35 -3.375 -18.638 -0.374 229 HA PRO 36 HA PRO 36 3.577 -15.788 -0.535 230 HB2 PRO 36 1HB PRO 36 4.277 -17.811 -2.205 231 HB3 PRO 36 2HB PRO 36 4.063 -18.033 -0.465 232 HG2 PRO 36 1HG PRO 36 2.168 -18.646 -2.699 233 HG3 PRO 36 2HG PRO 36 2.554 -19.612 -1.263 234 HD2 PRO 36 1HD PRO 36 0.316 -18.098 -1.442 235 HD3 PRO 36 2HD PRO 36 1.157 -18.380 0.095 236 H ASP 37 H ASP 37 1.117 -15.495 -2.723 237 HA ASP 37 HA ASP 37 2.923 -14.376 -4.766 238 HB2 ASP 37 1HB ASP 37 0.984 -14.873 -6.377 239 HB3 ASP 37 2HB ASP 37 1.958 -16.237 -5.833 240 H SER 38 H SER 38 0.548 -13.753 -2.500 241 HA SER 38 HA SER 38 -1.143 -11.888 -3.592 242 HB2 SER 38 1HB SER 38 0.161 -11.852 -0.861 243 HB3 SER 38 2HB SER 38 -1.210 -10.843 -1.323 244 HG SER 38 HG SER 38 -2.269 -12.908 -1.859 245 H LYS 39 H LYS 39 -1.126 -9.585 -3.682 246 HA LYS 39 HA LYS 39 1.541 -8.351 -3.722 247 HB2 LYS 39 1HB LYS 39 -0.570 -8.106 -5.872 248 HB3 LYS 39 2HB LYS 39 0.883 -7.120 -5.787 249 HG2 LYS 39 1HG LYS 39 2.173 -9.319 -5.846 250 HG3 LYS 39 2HG LYS 39 0.647 -10.057 -6.340 251 HD2 LYS 39 1HD LYS 39 1.668 -7.641 -7.777 252 HD3 LYS 39 2HD LYS 39 2.342 -9.231 -8.144 253 HE2 LYS 39 1HE LYS 39 -0.608 -8.618 -8.184 254 HE3 LYS 39 2HE LYS 39 0.429 -8.506 -9.606 255 HZ1 LYS 39 3HZ LYS 39 -0.106 -10.640 -9.892 256 HZ2 LYS 39 1HZ LYS 39 -0.656 -10.833 -8.304 257 HZ3 LYS 39 2HZ LYS 39 0.994 -10.966 -8.649 258 H VAL 40 H VAL 40 1.388 -5.921 -3.826 259 HA VAL 40 HA VAL 40 -1.041 -4.910 -2.515 260 HB VAL 40 HB VAL 40 1.789 -4.341 -1.621 261 HG11 VAL 40 1HG1 VAL 40 1.029 -2.414 -0.821 262 HG12 VAL 40 2HG1 VAL 40 -0.603 -2.779 -1.385 263 HG13 VAL 40 3HG1 VAL 40 -0.079 -3.317 0.211 264 HG21 VAL 40 3HG2 VAL 40 -0.491 -5.835 -0.337 265 HG22 VAL 40 1HG2 VAL 40 1.090 -6.467 -0.798 266 HG23 VAL 40 2HG2 VAL 40 0.954 -5.317 0.532 267 H VAL 41 H VAL 41 -1.852 -3.360 -3.750 268 HA VAL 41 HA VAL 41 0.010 -1.584 -5.190 269 HB VAL 41 HB VAL 41 -1.549 -1.341 -6.959 270 HG11 VAL 41 1HG1 VAL 41 -1.020 -3.296 -7.877 271 HG12 VAL 41 2HG1 VAL 41 -0.454 -3.813 -6.288 272 HG13 VAL 41 3HG1 VAL 41 -2.106 -4.167 -6.795 273 HG21 VAL 41 3HG2 VAL 41 -3.640 -1.129 -5.969 274 HG22 VAL 41 1HG2 VAL 41 -3.759 -2.675 -6.810 275 HG23 VAL 41 2HG2 VAL 41 -3.478 -2.637 -5.069 276 H PHE 42 H PHE 42 -0.578 0.627 -5.391 277 HA PHE 42 HA PHE 42 -2.355 1.542 -3.233 278 HB2 PHE 42 1HB PHE 42 0.051 2.817 -4.530 279 HB3 PHE 42 2HB PHE 42 -1.057 3.721 -3.504 280 HD1 PHE 42 2HD PHE 42 0.911 0.552 -3.444 281 HD2 PHE 42 1HD PHE 42 -0.535 3.921 -1.281 282 HE1 PHE 42 2HE PHE 42 2.148 -0.199 -1.455 283 HE2 PHE 42 1HE PHE 42 0.701 3.176 0.712 284 HZ PHE 42 HZ PHE 42 2.044 1.113 0.627 285 H ILE 43 H ILE 43 -3.469 3.639 -3.642 286 HA ILE 43 HA ILE 43 -4.118 4.081 -6.467 287 HB ILE 43 HB ILE 43 -6.517 4.211 -5.962 288 HG12 ILE 43 1HG1 ILE 43 -5.877 2.969 -3.287 289 HG13 ILE 43 2HG1 ILE 43 -6.122 4.700 -3.491 290 HG21 ILE 43 1HG2 ILE 43 -6.322 1.553 -5.030 291 HG22 ILE 43 2HG2 ILE 43 -6.545 2.115 -6.685 292 HG23 ILE 43 3HG2 ILE 43 -4.919 1.852 -6.055 293 HD11 ILE 43 3HD1 ILE 43 -8.053 2.638 -3.155 294 HD12 ILE 43 1HD1 ILE 43 -8.292 4.383 -3.244 295 HD13 ILE 43 2HD1 ILE 43 -8.304 3.415 -4.718 296 H GLU 44 H GLU 44 -5.292 6.124 -6.829 297 HA GLU 44 HA GLU 44 -5.092 8.089 -4.686 298 HB2 GLU 44 1HB GLU 44 -2.927 8.305 -5.695 299 HB3 GLU 44 2HB GLU 44 -3.618 8.305 -7.311 300 HG2 GLU 44 1HG GLU 44 -4.873 10.433 -6.432 301 HG3 GLU 44 2HG GLU 44 -3.538 10.475 -5.281 302 H ARG 45 H ARG 45 -6.822 9.365 -4.683 303 HA ARG 45 HA ARG 45 -8.667 9.246 -6.923 304 HB2 ARG 45 1HB ARG 45 -8.899 10.515 -4.190 305 HB3 ARG 45 2HB ARG 45 -10.179 10.518 -5.396 306 HG2 ARG 45 1HG ARG 45 -10.531 8.225 -5.208 307 HG3 ARG 45 2HG ARG 45 -8.964 7.954 -4.443 308 HD2 ARG 45 1HD ARG 45 -9.682 8.808 -2.395 309 HD3 ARG 45 2HD ARG 45 -11.053 9.646 -3.120 310 HE ARG 45 HE ARG 45 -11.343 6.871 -3.492 311 HH11 ARG 45 1HH1 ARG 45 -11.468 9.290 -0.992 312 HH12 ARG 45 2HH1 ARG 45 -12.591 8.407 -0.012 313 HH21 ARG 45 1HH2 ARG 45 -12.822 5.699 -2.212 314 HH22 ARG 45 2HH2 ARG 45 -13.361 6.364 -0.707 315 H GLY 46 H GLY 46 -9.149 10.891 -8.286 316 HA2 GLY 46 1HA GLY 46 -7.489 13.309 -8.043 317 HA3 GLY 46 2HA GLY 46 -8.178 12.694 -9.538 318 HA PRO 47 HA PRO 47 -10.832 16.098 -7.569 319 HB2 PRO 47 1HB PRO 47 -10.319 18.052 -9.382 320 HB3 PRO 47 2HB PRO 47 -9.361 17.829 -7.914 321 HG2 PRO 47 1HG PRO 47 -8.772 16.944 -10.712 322 HG3 PRO 47 2HG PRO 47 -7.685 17.678 -9.518 323 HD2 PRO 47 1HD PRO 47 -7.724 15.015 -10.011 324 HD3 PRO 47 2HD PRO 47 -7.354 15.684 -8.409 325 H ASP 48 H ASP 48 -10.501 14.359 -10.429 326 HA ASP 48 HA ASP 48 -12.725 15.509 -11.851 327 HB2 ASP 48 1HB ASP 48 -12.362 13.782 -13.482 328 HB3 ASP 48 2HB ASP 48 -10.786 14.388 -12.978 329 H GLY 49 H GLY 49 -12.164 12.714 -9.776 330 HA2 GLY 49 1HA GLY 49 -14.267 12.274 -8.397 331 HA3 GLY 49 2HA GLY 49 -15.034 12.058 -9.964 332 H LYS 50 H LYS 50 -12.438 10.814 -10.934 333 HA LYS 50 HA LYS 50 -12.914 8.155 -9.760 334 HB2 LYS 50 1HB LYS 50 -11.942 8.896 -12.525 335 HB3 LYS 50 2HB LYS 50 -12.078 7.251 -11.918 336 HG2 LYS 50 1HG LYS 50 -14.569 8.013 -11.462 337 HG3 LYS 50 2HG LYS 50 -14.195 9.148 -12.761 338 HD2 LYS 50 1HD LYS 50 -15.014 7.347 -13.946 339 HD3 LYS 50 2HD LYS 50 -13.279 7.020 -13.968 340 HE2 LYS 50 1HE LYS 50 -13.568 5.528 -12.026 341 HE3 LYS 50 2HE LYS 50 -15.305 5.823 -12.078 342 HZ1 LYS 50 3HZ LYS 50 -13.971 4.846 -14.501 343 HZ2 LYS 50 1HZ LYS 50 -15.554 4.586 -13.964 344 HZ3 LYS 50 2HZ LYS 50 -14.270 3.751 -13.247 345 H LEU 51 H LEU 51 -11.131 6.779 -9.388 346 HA LEU 51 HA LEU 51 -8.615 8.234 -8.968 347 HB2 LEU 51 1HB LEU 51 -8.096 6.212 -7.502 348 HB3 LEU 51 2HB LEU 51 -9.311 7.354 -6.930 349 HG LEU 51 HG LEU 51 -11.064 5.775 -7.784 350 HD11 LEU 51 1HD1 LEU 51 -10.267 4.276 -9.258 351 HD12 LEU 51 2HD1 LEU 51 -9.889 3.344 -7.809 352 HD13 LEU 51 3HD1 LEU 51 -8.638 4.317 -8.583 353 HD21 LEU 51 3HD2 LEU 51 -9.483 5.667 -5.436 354 HD22 LEU 51 1HD2 LEU 51 -9.851 4.009 -5.913 355 HD23 LEU 51 2HD2 LEU 51 -11.159 5.164 -5.655 356 H GLN 52 H GLN 52 -6.777 7.656 -9.972 357 HA GLN 52 HA GLN 52 -6.508 5.053 -11.214 358 HB2 GLN 52 1HB GLN 52 -6.475 7.588 -12.860 359 HB3 GLN 52 2HB GLN 52 -5.976 6.006 -13.442 360 HG2 GLN 52 1HG GLN 52 -8.304 5.207 -12.866 361 HG3 GLN 52 2HG GLN 52 -8.726 6.905 -12.650 362 HE21 GLN 52 1HE2 GLN 52 -10.144 5.636 -14.459 363 HE22 GLN 52 2HE2 GLN 52 -9.665 6.048 -16.067 364 H TRP 53 H TRP 53 -4.641 4.516 -10.259 365 HA TRP 53 HA TRP 53 -2.272 6.050 -10.922 366 HB2 TRP 53 1HB TRP 53 -3.105 7.033 -8.777 367 HB3 TRP 53 2HB TRP 53 -2.910 5.451 -8.028 368 HD1 TRP 53 HD TRP 53 -0.373 7.145 -10.402 369 HE1 TRP 53 1HE TRP 53 1.845 7.429 -9.128 370 HE3 TRP 53 3HE TRP 53 -1.866 5.502 -5.797 371 HZ2 TRP 53 2HZ TRP 53 2.832 7.011 -6.517 372 HZ3 TRP 53 3HZ TRP 53 -0.223 5.475 -3.965 373 HH2 TRP 53 HH TRP 53 2.077 6.214 -4.320 374 H GLU 54 H GLU 54 -1.136 4.482 -11.875 375 HA GLU 54 HA GLU 54 -1.193 1.772 -10.816 376 HB2 GLU 54 1HB GLU 54 -1.250 2.537 -13.335 377 HB3 GLU 54 2HB GLU 54 0.497 2.585 -13.145 378 HG2 GLU 54 1HG GLU 54 0.583 0.268 -12.612 379 HG3 GLU 54 2HG GLU 54 -1.174 0.171 -12.503 380 H GLU 55 H GLU 55 0.083 1.474 -9.095 381 HA GLU 55 HA GLU 55 2.932 1.993 -9.399 382 HB2 GLU 55 1HB GLU 55 1.168 3.321 -7.404 383 HB3 GLU 55 2HB GLU 55 2.754 2.792 -6.858 384 HG2 GLU 55 1HG GLU 55 2.078 4.804 -8.971 385 HG3 GLU 55 2HG GLU 55 3.043 5.015 -7.511 386 H GLU 56 H GLU 56 3.721 0.003 -9.168 387 HA GLU 56 HA GLU 56 2.476 -1.908 -7.387 388 HB2 GLU 56 1HB GLU 56 4.511 -1.989 -9.534 389 HB3 GLU 56 2HB GLU 56 4.699 -3.178 -8.253 390 HG2 GLU 56 1HG GLU 56 2.757 -4.268 -8.784 391 HG3 GLU 56 2HG GLU 56 2.026 -2.838 -9.512 392 H ALA 57 H ALA 57 3.599 -3.018 -5.701 393 HA ALA 57 HA ALA 57 5.777 -1.429 -4.508 394 HB1 ALA 57 3HB ALA 57 3.888 -1.112 -3.132 395 HB2 ALA 57 1HB ALA 57 3.460 -2.822 -3.193 396 HB3 ALA 57 2HB ALA 57 4.891 -2.302 -2.301 397 H THR 58 H THR 58 7.629 -2.458 -4.116 398 HA THR 58 HA THR 58 8.089 -5.094 -4.964 399 HB THR 58 HB THR 58 9.766 -3.419 -3.086 400 HG1 THR 58 1HG THR 58 10.920 -2.995 -5.088 401 HG21 THR 58 3HG2 THR 58 11.373 -5.116 -4.631 402 HG22 THR 58 1HG2 THR 58 10.054 -6.123 -4.037 403 HG23 THR 58 2HG2 THR 58 11.060 -5.226 -2.899 404 H VAL 59 H VAL 59 6.818 -6.622 -3.995 405 HA VAL 59 HA VAL 59 6.298 -6.762 -1.218 406 HB VAL 59 HB VAL 59 6.146 -8.938 -3.308 407 HG11 VAL 59 1HG1 VAL 59 4.836 -10.201 -1.778 408 HG12 VAL 59 2HG1 VAL 59 6.305 -9.722 -0.924 409 HG13 VAL 59 3HG1 VAL 59 4.790 -8.871 -0.621 410 HG21 VAL 59 3HG2 VAL 59 3.608 -8.024 -2.405 411 HG22 VAL 59 1HG2 VAL 59 4.568 -6.624 -2.882 412 HG23 VAL 59 2HG2 VAL 59 4.298 -7.938 -4.026 413 H ASN 60 H ASN 60 7.315 -7.801 0.418 414 HA ASN 60 HA ASN 60 10.015 -8.752 -0.104 415 HB2 ASN 60 1HB ASN 60 9.532 -7.142 1.751 416 HB3 ASN 60 2HB ASN 60 8.611 -8.410 2.553 417 HD21 ASN 60 1HD2 ASN 60 9.869 -8.669 4.318 418 HD22 ASN 60 2HD2 ASN 60 11.502 -9.231 4.269 419 H ARG 61 H ARG 61 10.275 -10.823 -0.603 420 HA ARG 61 HA ARG 61 8.418 -12.812 0.479 421 HB2 ARG 61 1HB ARG 61 10.492 -13.046 -1.710 422 HB3 ARG 61 2HB ARG 61 9.397 -14.328 -1.210 423 HG2 ARG 61 1HG ARG 61 8.513 -11.672 -2.317 424 HG3 ARG 61 2HG ARG 61 8.691 -13.149 -3.268 425 HD2 ARG 61 1HD ARG 61 7.090 -14.222 -1.610 426 HD3 ARG 61 2HD ARG 61 6.760 -12.589 -1.033 427 HE ARG 61 HE ARG 61 5.407 -12.317 -2.840 428 HH11 ARG 61 1HH1 ARG 61 7.754 -14.777 -3.593 429 HH12 ARG 61 2HH1 ARG 61 7.083 -15.123 -5.152 430 HH21 ARG 61 1HH2 ARG 61 4.516 -12.764 -4.892 431 HH22 ARG 61 2HH2 ARG 61 5.242 -13.977 -5.890 432 H LEU 62 H LEU 62 10.363 -11.651 2.217 433 HA LEU 62 HA LEU 62 11.983 -14.037 2.810 434 HB2 LEU 62 1HB LEU 62 12.773 -11.156 3.212 435 HB3 LEU 62 2HB LEU 62 13.713 -12.554 3.730 436 HG LEU 62 HG LEU 62 13.030 -12.144 0.839 437 HD11 LEU 62 1HD1 LEU 62 15.473 -11.046 2.216 438 HD12 LEU 62 2HD1 LEU 62 14.088 -10.073 1.721 439 HD13 LEU 62 3HD1 LEU 62 15.055 -10.912 0.508 440 HD21 LEU 62 3HD2 LEU 62 15.513 -13.237 1.009 441 HD22 LEU 62 1HD2 LEU 62 14.017 -14.159 0.854 442 HD23 LEU 62 2HD2 LEU 62 14.737 -13.908 2.444 443 H GLN 63 H GLN 63 10.158 -11.300 4.031 444 HA GLN 63 HA GLN 63 10.022 -12.644 6.649 445 HB2 GLN 63 1HB GLN 63 10.278 -9.724 5.989 446 HB3 GLN 63 2HB GLN 63 9.570 -10.246 7.512 447 HG2 GLN 63 1HG GLN 63 12.212 -11.352 6.714 448 HG3 GLN 63 2HG GLN 63 12.125 -9.694 7.308 449 HE21 GLN 63 1HE2 GLN 63 12.008 -9.352 9.435 450 HE22 GLN 63 2HE2 GLN 63 11.828 -10.585 10.631 451 H SER 64 H SER 64 8.259 -13.130 4.489 452 HA SER 64 HA SER 64 5.783 -11.844 5.438 453 HB2 SER 64 1HB SER 64 6.266 -11.347 3.087 454 HB3 SER 64 2HB SER 64 6.372 -13.071 2.732 455 HG SER 64 HG SER 64 4.084 -12.902 3.814 456 H ASN 65 H ASN 65 4.391 -13.088 6.490 457 HA ASN 65 HA ASN 65 4.580 -16.008 6.140 458 HB2 ASN 65 1HB ASN 65 5.244 -15.026 8.403 459 HB3 ASN 65 2HB ASN 65 3.541 -14.626 8.612 460 HD21 ASN 65 1HD2 ASN 65 2.999 -15.986 10.210 461 HD22 ASN 65 2HD2 ASN 65 3.100 -17.708 10.110 462 H GLU 66 H GLU 66 2.420 -17.049 7.029 463 HA GLU 66 HA GLU 66 0.406 -16.448 5.198 464 HB2 GLU 66 1HB GLU 66 0.790 -18.594 6.569 465 HB3 GLU 66 2HB GLU 66 -0.133 -17.794 7.834 466 HG2 GLU 66 1HG GLU 66 -1.845 -17.437 5.849 467 HG3 GLU 66 2HG GLU 66 -1.022 -18.862 5.216 468 H VAL 67 H VAL 67 1.140 -15.034 8.246 469 HA VAL 67 HA VAL 67 -1.325 -13.429 8.078 470 HB VAL 67 HB VAL 67 -1.249 -13.224 10.563 471 HG11 VAL 67 1HG1 VAL 67 -1.508 -16.114 10.266 472 HG12 VAL 67 2HG1 VAL 67 -2.717 -14.906 10.704 473 HG13 VAL 67 3HG1 VAL 67 -2.341 -15.204 9.007 474 HG21 VAL 67 3HG2 VAL 67 0.339 -14.164 11.836 475 HG22 VAL 67 1HG2 VAL 67 0.329 -15.662 10.905 476 HG23 VAL 67 2HG2 VAL 67 1.265 -14.278 10.340 477 H THR 68 H THR 68 1.465 -13.007 7.097 478 HA THR 68 HA THR 68 1.766 -10.313 8.135 479 HB THR 68 HB THR 68 3.987 -12.351 8.346 480 HG1 THR 68 1HG THR 68 3.681 -12.149 10.463 481 HG21 THR 68 3HG2 THR 68 4.207 -9.616 7.702 482 HG22 THR 68 1HG2 THR 68 5.498 -10.724 8.164 483 HG23 THR 68 2HG2 THR 68 4.670 -9.772 9.396 484 H LEU 69 H LEU 69 1.945 -9.051 6.413 485 HA LEU 69 HA LEU 69 3.356 -10.092 4.044 486 HB2 LEU 69 1HB LEU 69 0.829 -8.565 4.337 487 HB3 LEU 69 2HB LEU 69 1.851 -8.192 2.951 488 HG LEU 69 HG LEU 69 0.737 -10.920 3.601 489 HD11 LEU 69 1HD1 LEU 69 -0.850 -9.006 2.856 490 HD12 LEU 69 2HD1 LEU 69 -0.940 -10.574 2.054 491 HD13 LEU 69 3HD1 LEU 69 -0.095 -9.235 1.279 492 HD21 LEU 69 3HD2 LEU 69 2.689 -9.910 1.648 493 HD22 LEU 69 1HD2 LEU 69 1.430 -10.954 0.985 494 HD23 LEU 69 2HD2 LEU 69 2.460 -11.536 2.293 495 H THR 70 H THR 70 5.343 -9.216 4.221 496 HA THR 70 HA THR 70 5.620 -6.401 4.955 497 HB THR 70 HB THR 70 7.725 -8.526 4.507 498 HG1 THR 70 1HG THR 70 6.529 -7.393 6.820 499 HG21 THR 70 3HG2 THR 70 8.013 -5.700 5.535 500 HG22 THR 70 1HG2 THR 70 8.572 -6.289 3.970 501 HG23 THR 70 2HG2 THR 70 9.297 -6.906 5.455 502 H LEU 71 H LEU 71 6.063 -4.832 3.535 503 HA LEU 71 HA LEU 71 7.160 -5.512 0.914 504 HB2 LEU 71 1HB LEU 71 5.487 -4.369 -0.307 505 HB3 LEU 71 2HB LEU 71 4.662 -5.491 0.773 506 HG LEU 71 HG LEU 71 5.002 -2.605 1.516 507 HD11 LEU 71 1HD1 LEU 71 3.432 -1.883 0.109 508 HD12 LEU 71 2HD1 LEU 71 2.414 -3.296 0.383 509 HD13 LEU 71 3HD1 LEU 71 3.722 -3.367 -0.798 510 HD21 LEU 71 3HD2 LEU 71 2.562 -3.581 2.377 511 HD22 LEU 71 1HD2 LEU 71 4.022 -3.402 3.350 512 HD23 LEU 71 2HD2 LEU 71 3.660 -4.947 2.580 513 H THR 72 H THR 72 7.674 -3.458 -0.341 514 HA THR 72 HA THR 72 8.831 -1.513 1.534 515 HB THR 72 HB THR 72 9.582 -2.050 -1.347 516 HG1 THR 72 1HG THR 72 10.094 -3.592 0.567 517 HG21 THR 72 3HG2 THR 72 10.023 0.232 0.149 518 HG22 THR 72 1HG2 THR 72 10.940 -0.272 -1.271 519 HG23 THR 72 2HG2 THR 72 11.517 -0.684 0.344 520 H VAL 73 H VAL 73 7.392 0.097 1.817 521 HA VAL 73 HA VAL 73 5.403 1.015 0.218 522 HB VAL 73 HB VAL 73 7.180 2.896 1.768 523 HG11 VAL 73 1HG1 VAL 73 4.719 3.792 2.200 524 HG12 VAL 73 2HG1 VAL 73 5.654 4.271 0.782 525 HG13 VAL 73 3HG1 VAL 73 4.434 3.004 0.648 526 HG21 VAL 73 3HG2 VAL 73 6.704 1.755 3.616 527 HG22 VAL 73 1HG2 VAL 73 4.999 2.122 3.354 528 HG23 VAL 73 2HG2 VAL 73 5.689 0.631 2.713 529 HA PRO 74 HA PRO 74 7.537 2.453 -3.417 530 HB2 PRO 74 1HB PRO 74 5.323 3.350 -4.706 531 HB3 PRO 74 2HB PRO 74 5.745 1.636 -4.600 532 HG2 PRO 74 1HG PRO 74 3.786 3.209 -2.971 533 HG3 PRO 74 2HG PRO 74 3.614 1.587 -3.668 534 HD2 PRO 74 1HD PRO 74 4.215 1.995 -1.060 535 HD3 PRO 74 2HD PRO 74 4.813 0.593 -1.970 536 H GLU 75 H GLU 75 7.296 4.554 -4.800 537 HA GLU 75 HA GLU 75 7.231 6.813 -2.916 538 HB2 GLU 75 1HB GLU 75 8.953 7.814 -4.076 539 HB3 GLU 75 2HB GLU 75 9.356 6.116 -4.281 540 HG2 GLU 75 1HG GLU 75 8.034 6.274 -6.473 541 HG3 GLU 75 2HG GLU 75 8.181 8.019 -6.268 542 H TYR 76 H TYR 76 5.528 8.099 -3.070 543 HA TYR 76 HA TYR 76 3.485 7.974 -4.875 544 HB2 TYR 76 1HB TYR 76 3.390 9.273 -2.789 545 HB3 TYR 76 2HB TYR 76 4.477 10.471 -3.483 546 HD1 TYR 76 1HD TYR 76 1.434 8.745 -4.804 547 HD2 TYR 76 2HD TYR 76 3.324 12.435 -3.851 548 HE1 TYR 76 1HE TYR 76 -0.499 9.963 -5.715 549 HE2 TYR 76 2HE TYR 76 1.396 13.664 -4.758 550 HH TYR 76 HH TYR 76 -0.910 13.354 -5.268 551 H SER 77 H SER 77 2.810 9.432 -6.596 552 HA SER 77 HA SER 77 4.877 9.762 -8.544 553 HB2 SER 77 1HB SER 77 1.920 10.111 -8.471 554 HB3 SER 77 2HB SER 77 2.808 10.973 -9.728 555 HG SER 77 HG SER 77 2.609 9.103 -10.705 556 H ASN 78 H ASN 78 2.513 12.142 -7.329 557 HA ASN 78 HA ASN 78 4.242 14.324 -8.076 558 HB2 ASN 78 1HB ASN 78 1.472 14.041 -7.028 559 HB3 ASN 78 2HB ASN 78 2.300 15.563 -6.711 560 HD21 ASN 78 1HD2 ASN 78 1.817 17.053 -8.133 561 HD22 ASN 78 2HD2 ASN 78 1.524 16.806 -9.818 562 H LYS 79 H LYS 79 6.070 14.202 -6.805 563 HA LYS 79 HA LYS 79 5.780 14.175 -3.904 564 HB2 LYS 79 1HB LYS 79 8.135 13.970 -5.767 565 HB3 LYS 79 2HB LYS 79 8.352 14.239 -4.043 566 HG2 LYS 79 1HG LYS 79 6.768 12.144 -3.860 567 HG3 LYS 79 2HG LYS 79 7.386 11.828 -5.483 568 HD2 LYS 79 1HD LYS 79 9.213 12.431 -3.175 569 HD3 LYS 79 2HD LYS 79 8.650 10.793 -3.515 570 HE2 LYS 79 1HE LYS 79 10.598 10.796 -4.710 571 HE3 LYS 79 2HE LYS 79 9.485 11.381 -5.946 572 HZ1 LYS 79 3HZ LYS 79 10.799 13.138 -6.139 573 HZ2 LYS 79 1HZ LYS 79 11.729 12.684 -4.801 574 HZ3 LYS 79 2HZ LYS 79 10.337 13.620 -4.585 575 H ARG 80 H ARG 80 6.947 16.287 -6.486 576 HA ARG 80 HA ARG 80 8.161 18.333 -5.271 577 HB2 ARG 80 1HB ARG 80 7.029 19.887 -6.853 578 HB3 ARG 80 2HB ARG 80 7.655 18.435 -7.622 579 HG2 ARG 80 1HG ARG 80 5.336 17.476 -7.454 580 HG3 ARG 80 2HG ARG 80 4.797 19.083 -6.962 581 HD2 ARG 80 1HD ARG 80 4.441 19.236 -9.210 582 HD3 ARG 80 2HD ARG 80 6.109 19.801 -9.139 583 HE ARG 80 HE ARG 80 5.920 16.972 -9.514 584 HH11 ARG 80 1HH1 ARG 80 5.806 20.051 -11.134 585 HH12 ARG 80 2HH1 ARG 80 6.293 19.409 -12.668 586 HH21 ARG 80 1HH2 ARG 80 6.561 16.114 -11.528 587 HH22 ARG 80 2HH2 ARG 80 6.721 17.169 -12.891 588 H VAL 81 H VAL 81 4.709 17.653 -5.053 589 HA VAL 81 HA VAL 81 3.641 19.860 -3.923 590 HB VAL 81 HB VAL 81 2.136 18.434 -2.618 591 HG11 VAL 81 1HG1 VAL 81 2.755 17.972 -5.452 592 HG12 VAL 81 2HG1 VAL 81 1.769 16.722 -4.689 593 HG13 VAL 81 3HG1 VAL 81 1.231 18.402 -4.676 594 HG21 VAL 81 3HG2 VAL 81 4.117 16.273 -3.307 595 HG22 VAL 81 1HG2 VAL 81 3.617 16.814 -1.705 596 HG23 VAL 81 2HG2 VAL 81 2.481 15.945 -2.736 597 H SER 82 H SER 82 3.458 20.779 -1.877 598 HA SER 82 HA SER 82 5.683 20.148 -0.071 599 HB2 SER 82 1HB SER 82 3.987 22.631 -0.387 600 HB3 SER 82 2HB SER 82 5.164 22.417 0.909 601 HG SER 82 HG SER 82 5.859 22.129 -1.816 602 H ARG 83 H ARG 83 2.348 19.765 -0.381 603 HA ARG 83 HA ARG 83 1.999 19.487 2.528 604 HB2 ARG 83 1HB ARG 83 -0.359 19.773 2.196 605 HB3 ARG 83 2HB ARG 83 0.469 21.065 1.336 606 HG2 ARG 83 1HG ARG 83 0.060 20.066 -0.761 607 HG3 ARG 83 2HG ARG 83 -0.440 18.545 -0.019 608 HD2 ARG 83 1HD ARG 83 -2.428 19.618 -0.701 609 HD3 ARG 83 2HD ARG 83 -2.333 19.838 1.046 610 HE ARG 83 HE ARG 83 -2.068 21.892 -0.993 611 HH11 ARG 83 1HH1 ARG 83 -1.775 21.006 2.361 612 HH12 ARG 83 2HH1 ARG 83 -1.824 22.641 2.932 613 HH21 ARG 83 1HH2 ARG 83 -2.134 24.049 -0.254 614 HH22 ARG 83 2HH2 ARG 83 -2.029 24.371 1.444 615 HA PRO 84 HA PRO 84 1.631 15.125 2.187 616 HB2 PRO 84 1HB PRO 84 -0.131 14.604 4.187 617 HB3 PRO 84 2HB PRO 84 1.546 15.080 4.483 618 HG2 PRO 84 1HG PRO 84 -0.938 16.750 4.555 619 HG3 PRO 84 2HG PRO 84 0.437 16.740 5.676 620 HD2 PRO 84 1HD PRO 84 0.146 18.614 3.743 621 HD3 PRO 84 2HD PRO 84 1.736 18.047 4.291 622 H VAL 85 H VAL 85 0.328 13.496 1.362 623 HA VAL 85 HA VAL 85 -2.361 14.327 0.480 624 HB VAL 85 HB VAL 85 -0.464 12.484 -0.982 625 HG11 VAL 85 1HG1 VAL 85 -3.278 13.372 -1.489 626 HG12 VAL 85 2HG1 VAL 85 -2.221 12.921 -2.828 627 HG13 VAL 85 3HG1 VAL 85 -2.589 11.751 -1.560 628 HG21 VAL 85 3HG2 VAL 85 0.469 14.541 -1.397 629 HG22 VAL 85 1HG2 VAL 85 -0.726 14.460 -2.693 630 HG23 VAL 85 2HG2 VAL 85 -1.067 15.393 -1.235 631 H GLN 86 H GLN 86 -3.978 12.714 0.385 632 HA GLN 86 HA GLN 86 -3.480 10.477 2.219 633 HB2 GLN 86 1HB GLN 86 -5.267 11.806 3.012 634 HB3 GLN 86 2HB GLN 86 -5.983 11.941 1.412 635 HG2 GLN 86 1HG GLN 86 -7.366 10.450 2.535 636 HG3 GLN 86 2HG GLN 86 -6.332 9.419 1.547 637 HE21 GLN 86 1HE2 GLN 86 -6.622 7.639 2.866 638 HE22 GLN 86 2HE2 GLN 86 -5.911 7.520 4.436 639 H VAL 87 H VAL 87 -3.027 8.618 1.250 640 HA VAL 87 HA VAL 87 -4.422 7.966 -1.264 641 HB VAL 87 HB VAL 87 -2.558 6.564 -1.886 642 HG11 VAL 87 1HG1 VAL 87 -2.241 9.411 -1.327 643 HG12 VAL 87 2HG1 VAL 87 -0.709 8.548 -1.481 644 HG13 VAL 87 3HG1 VAL 87 -1.888 8.497 -2.793 645 HG21 VAL 87 3HG2 VAL 87 -2.029 5.958 0.531 646 HG22 VAL 87 1HG2 VAL 87 -0.658 6.169 -0.559 647 HG23 VAL 87 2HG2 VAL 87 -1.084 7.446 0.580 648 H TYR 88 H TYR 88 -4.274 5.415 -1.576 649 HA TYR 88 HA TYR 88 -4.888 4.035 0.925 650 HB2 TYR 88 1HB TYR 88 -6.764 3.950 -1.443 651 HB3 TYR 88 2HB TYR 88 -6.992 3.171 0.118 652 HD1 TYR 88 2HD TYR 88 -6.520 6.562 -1.371 653 HD2 TYR 88 1HD TYR 88 -8.283 4.232 1.722 654 HE1 TYR 88 2HE TYR 88 -7.713 8.554 -0.559 655 HE2 TYR 88 1HE TYR 88 -9.482 6.217 2.542 656 HH TYR 88 HH TYR 88 -9.012 8.854 2.368 657 H PHE 89 H PHE 89 -4.916 1.705 0.714 658 HA PHE 89 HA PHE 89 -3.854 0.595 -1.759 659 HB2 PHE 89 1HB PHE 89 -1.983 -0.521 -0.585 660 HB3 PHE 89 2HB PHE 89 -1.833 1.233 -0.563 661 HD1 PHE 89 1HD PHE 89 -2.278 2.487 1.510 662 HD2 PHE 89 2HD PHE 89 -2.243 -1.768 1.419 663 HE1 PHE 89 1HE PHE 89 -2.065 2.440 3.961 664 HE2 PHE 89 2HE PHE 89 -2.031 -1.822 3.870 665 HZ PHE 89 HZ PHE 89 -1.943 0.283 5.144 666 H TYR 90 H TYR 90 -3.832 -1.773 -1.749 667 HA TYR 90 HA TYR 90 -5.277 -3.122 0.363 668 HB2 TYR 90 1HB TYR 90 -7.018 -3.994 -1.212 669 HB3 TYR 90 2HB TYR 90 -7.155 -2.271 -0.874 670 HD1 TYR 90 1HD TYR 90 -5.624 -4.598 -3.364 671 HD2 TYR 90 2HD TYR 90 -7.427 -0.812 -2.649 672 HE1 TYR 90 1HE TYR 90 -5.582 -4.130 -5.778 673 HE2 TYR 90 2HE TYR 90 -7.392 -0.333 -5.061 674 HH TYR 90 HH TYR 90 -6.758 -2.713 -7.399 675 H VAL 91 H VAL 91 -5.482 -5.479 -0.087 676 HA VAL 91 HA VAL 91 -3.097 -6.399 -1.521 677 HB VAL 91 HB VAL 91 -4.783 -8.126 0.265 678 HG11 VAL 91 1HG1 VAL 91 -2.734 -9.354 0.573 679 HG12 VAL 91 2HG1 VAL 91 -3.020 -9.137 -1.155 680 HG13 VAL 91 3HG1 VAL 91 -1.826 -8.138 -0.325 681 HG21 VAL 91 3HG2 VAL 91 -2.928 -5.933 1.040 682 HG22 VAL 91 1HG2 VAL 91 -4.407 -6.493 1.821 683 HG23 VAL 91 2HG2 VAL 91 -2.916 -7.419 1.991 684 H SER 92 H SER 92 -3.408 -7.067 -3.535 685 HA SER 92 HA SER 92 -6.007 -8.010 -4.407 686 HB2 SER 92 1HB SER 92 -3.466 -7.207 -5.750 687 HB3 SER 92 2HB SER 92 -4.555 -8.290 -6.618 688 HG SER 92 HG SER 92 -5.524 -6.493 -7.131 689 H ASN 93 H ASN 93 -6.556 -10.059 -4.107 690 HA ASN 93 HA ASN 93 -4.502 -12.133 -4.502 691 HB2 ASN 93 1HB ASN 93 -6.574 -11.859 -2.352 692 HB3 ASN 93 2HB ASN 93 -6.032 -13.461 -2.842 693 HD21 ASN 93 1HD2 ASN 93 -5.466 -13.248 -0.440 694 HD22 ASN 93 2HD2 ASN 93 -3.855 -12.724 -0.097 695 H GLY 94 H GLY 94 -4.990 -12.848 -6.507 696 HA2 GLY 94 1HA GLY 94 -6.196 -14.451 -7.784 697 HA3 GLY 94 2HA GLY 94 -7.636 -14.068 -6.852 698 H ARG 95 H ARG 95 -9.129 -13.229 -8.138 699 HA ARG 95 HA ARG 95 -8.301 -11.156 -10.059 700 HB2 ARG 95 1HB ARG 95 -10.040 -11.960 -11.602 701 HB3 ARG 95 2HB ARG 95 -8.826 -13.193 -11.286 702 HG2 ARG 95 1HG ARG 95 -10.398 -14.160 -9.583 703 HG3 ARG 95 2HG ARG 95 -11.620 -13.040 -10.190 704 HD2 ARG 95 1HD ARG 95 -10.165 -14.759 -12.136 705 HD3 ARG 95 2HD ARG 95 -11.413 -15.495 -11.132 706 HE ARG 95 HE ARG 95 -13.015 -14.326 -12.303 707 HH11 ARG 95 1HH1 ARG 95 -9.846 -13.142 -13.123 708 HH12 ARG 95 2HH1 ARG 95 -10.404 -12.190 -14.459 709 HH21 ARG 95 1HH2 ARG 95 -13.763 -13.077 -14.059 710 HH22 ARG 95 2HH2 ARG 95 -12.633 -12.153 -14.989 711 H ARG 96 H ARG 96 -11.061 -12.512 -8.270 712 HA ARG 96 HA ARG 96 -12.279 -9.837 -8.235 713 HB2 ARG 96 1HB ARG 96 -13.456 -12.582 -7.792 714 HB3 ARG 96 2HB ARG 96 -14.339 -11.093 -7.481 715 HG2 ARG 96 1HG ARG 96 -13.720 -10.526 -9.941 716 HG3 ARG 96 2HG ARG 96 -13.461 -12.266 -10.079 717 HD2 ARG 96 1HD ARG 96 -15.742 -11.578 -10.729 718 HD3 ARG 96 2HD ARG 96 -15.724 -12.703 -9.372 719 HE ARG 96 HE ARG 96 -16.606 -11.060 -8.034 720 HH11 ARG 96 1HH1 ARG 96 -15.485 -9.655 -11.015 721 HH12 ARG 96 2HH1 ARG 96 -16.201 -8.107 -10.707 722 HH21 ARG 96 1HH2 ARG 96 -17.553 -9.027 -7.616 723 HH22 ARG 96 2HH2 ARG 96 -17.376 -7.751 -8.773 724 H LYS 97 H LYS 97 -11.168 -12.472 -6.200 725 HA LYS 97 HA LYS 97 -12.128 -11.461 -3.739 726 HB2 LYS 97 1HB LYS 97 -9.686 -13.192 -4.134 727 HB3 LYS 97 2HB LYS 97 -10.687 -13.071 -2.693 728 HG2 LYS 97 1HG LYS 97 -11.904 -13.982 -5.259 729 HG3 LYS 97 2HG LYS 97 -10.938 -15.102 -4.296 730 HD2 LYS 97 1HD LYS 97 -13.156 -13.500 -3.064 731 HD3 LYS 97 2HD LYS 97 -13.479 -15.024 -3.894 732 HE2 LYS 97 1HE LYS 97 -11.694 -16.035 -2.388 733 HE3 LYS 97 2HE LYS 97 -11.796 -14.548 -1.448 734 HZ1 LYS 97 3HZ LYS 97 -13.278 -15.934 -0.384 735 HZ2 LYS 97 1HZ LYS 97 -13.830 -16.646 -1.816 736 HZ3 LYS 97 2HZ LYS 97 -14.303 -15.072 -1.417 737 H ARG 98 H ARG 98 -11.634 -9.413 -3.195 738 HA ARG 98 HA ARG 98 -8.779 -8.744 -2.960 739 HB2 ARG 98 1HB ARG 98 -10.991 -7.061 -4.116 740 HB3 ARG 98 2HB ARG 98 -9.524 -6.337 -3.470 741 HG2 ARG 98 1HG ARG 98 -8.194 -7.224 -5.140 742 HG3 ARG 98 2HG ARG 98 -9.353 -8.498 -5.525 743 HD2 ARG 98 1HD ARG 98 -10.880 -6.821 -6.450 744 HD3 ARG 98 2HD ARG 98 -9.714 -5.554 -6.070 745 HE ARG 98 HE ARG 98 -8.278 -7.217 -7.622 746 HH11 ARG 98 1HH1 ARG 98 -11.423 -5.772 -8.004 747 HH12 ARG 98 2HH1 ARG 98 -11.329 -5.712 -9.733 748 HH21 ARG 98 1HH2 ARG 98 -8.143 -7.144 -9.898 749 HH22 ARG 98 2HH2 ARG 98 -9.464 -6.494 -10.809 750 H SER 99 H SER 99 -8.428 -6.864 -1.452 751 HA SER 99 HA SER 99 -10.215 -7.169 0.862 752 HB2 SER 99 1HB SER 99 -8.223 -6.188 2.125 753 HB3 SER 99 2HB SER 99 -8.008 -7.807 1.460 754 HG SER 99 HG SER 99 -6.459 -7.064 0.261 755 HA PRO 100 HA PRO 100 -11.557 -2.994 0.691 756 HB2 PRO 100 1HB PRO 100 -11.773 -2.388 3.329 757 HB3 PRO 100 2HB PRO 100 -12.895 -3.471 2.497 758 HG2 PRO 100 1HG PRO 100 -10.546 -4.143 4.227 759 HG3 PRO 100 2HG PRO 100 -12.159 -4.877 4.197 760 HD2 PRO 100 1HD PRO 100 -10.018 -6.016 2.993 761 HD3 PRO 100 2HD PRO 100 -11.669 -6.183 2.362 762 H THR 101 H THR 101 -10.367 -1.300 0.110 763 HA THR 101 HA THR 101 -7.738 -0.807 0.599 764 HB THR 101 HB THR 101 -8.036 1.417 -0.145 765 HG1 THR 101 1HG THR 101 -10.702 1.158 0.824 766 HG21 THR 101 3HG2 THR 101 -10.482 0.430 -1.450 767 HG22 THR 101 1HG2 THR 101 -9.102 -0.665 -1.526 768 HG23 THR 101 2HG2 THR 101 -8.961 0.977 -2.156 769 H GLN 102 H GLN 102 -6.689 0.916 1.888 770 HA GLN 102 HA GLN 102 -7.943 1.204 4.538 771 HB2 GLN 102 1HB GLN 102 -5.043 0.670 3.882 772 HB3 GLN 102 2HB GLN 102 -5.625 1.111 5.482 773 HG2 GLN 102 1HG GLN 102 -6.326 -1.366 3.925 774 HG3 GLN 102 2HG GLN 102 -5.312 -1.265 5.364 775 HE21 GLN 102 1HE2 GLN 102 -8.489 -1.492 4.137 776 HE22 GLN 102 2HE2 GLN 102 -9.320 -1.510 5.652 777 H SER 103 H SER 103 -6.978 3.021 5.828 778 HA SER 103 HA SER 103 -6.786 5.370 4.107 779 HB2 SER 103 1HB SER 103 -7.444 6.653 5.969 780 HB3 SER 103 2HB SER 103 -8.365 5.159 6.136 781 HG SER 103 HG SER 103 -6.299 4.572 7.434 782 H PHE 104 H PHE 104 -4.880 6.192 3.596 783 HA PHE 104 HA PHE 104 -2.695 6.045 5.554 784 HB2 PHE 104 1HB PHE 104 -2.579 4.335 3.596 785 HB3 PHE 104 2HB PHE 104 -2.141 5.733 2.619 786 HD1 PHE 104 2HD PHE 104 -1.099 3.521 5.345 787 HD2 PHE 104 1HD PHE 104 -0.011 6.813 2.876 788 HE1 PHE 104 2HE PHE 104 1.239 3.291 6.075 789 HE2 PHE 104 1HE PHE 104 2.329 6.588 3.602 790 HZ PHE 104 HZ PHE 104 2.957 4.826 5.204 791 H ARG 105 H ARG 105 -0.903 7.587 5.014 792 HA ARG 105 HA ARG 105 -1.642 9.859 3.370 793 HB2 ARG 105 1HB ARG 105 -2.714 10.253 5.604 794 HB3 ARG 105 2HB ARG 105 -1.107 10.247 6.317 795 HG2 ARG 105 1HG ARG 105 -0.524 12.144 4.785 796 HG3 ARG 105 2HG ARG 105 -2.230 12.213 4.341 797 HD2 ARG 105 1HD ARG 105 -1.309 12.357 7.198 798 HD3 ARG 105 2HD ARG 105 -1.433 13.791 6.180 799 HE ARG 105 HE ARG 105 -3.824 12.186 6.262 800 HH11 ARG 105 1HH1 ARG 105 -2.040 14.779 7.750 801 HH12 ARG 105 2HH1 ARG 105 -3.439 15.500 8.475 802 HH21 ARG 105 1HH2 ARG 105 -5.673 13.126 7.211 803 HH22 ARG 105 2HH2 ARG 105 -5.505 14.558 8.169 804 H PHE 106 H PHE 106 0.103 10.849 2.526 805 HA PHE 106 HA PHE 106 2.733 9.912 3.434 806 HB2 PHE 106 1HB PHE 106 1.863 11.137 0.809 807 HB3 PHE 106 2HB PHE 106 3.525 10.713 1.203 808 HD1 PHE 106 1HD PHE 106 3.118 8.137 2.596 809 HD2 PHE 106 2HD PHE 106 1.328 9.699 -0.935 810 HE1 PHE 106 1HE PHE 106 2.727 5.847 1.786 811 HE2 PHE 106 2HE PHE 106 0.933 7.412 -1.751 812 HZ PHE 106 HZ PHE 106 1.632 5.482 -0.390 813 H LEU 107 H LEU 107 4.329 11.304 4.045 814 HA LEU 107 HA LEU 107 3.526 14.111 4.390 815 HB2 LEU 107 1HB LEU 107 5.812 12.785 5.804 816 HB3 LEU 107 2HB LEU 107 4.917 14.231 6.268 817 HG LEU 107 HG LEU 107 3.669 11.493 6.267 818 HD11 LEU 107 1HD1 LEU 107 5.797 12.166 7.853 819 HD12 LEU 107 2HD1 LEU 107 4.568 10.962 8.241 820 HD13 LEU 107 3HD1 LEU 107 4.416 12.607 8.858 821 HD21 LEU 107 3HD2 LEU 107 1.849 12.710 6.665 822 HD22 LEU 107 1HD2 LEU 107 2.793 14.189 6.845 823 HD23 LEU 107 2HD2 LEU 107 2.562 13.118 8.227 824 HA PRO 108 HA PRO 108 6.569 15.373 1.464 825 HB2 PRO 108 1HB PRO 108 6.859 17.952 2.260 826 HB3 PRO 108 2HB PRO 108 5.438 17.371 1.383 827 HG2 PRO 108 1HG PRO 108 5.791 17.839 4.319 828 HG3 PRO 108 2HG PRO 108 4.414 18.248 3.278 829 HD2 PRO 108 1HD PRO 108 4.428 16.071 4.888 830 HD3 PRO 108 2HD PRO 108 3.576 16.101 3.331 831 H VAL 109 H VAL 109 8.711 15.116 1.403 832 HA VAL 109 HA VAL 109 10.242 14.821 3.784 833 HB VAL 109 HB VAL 109 11.148 14.989 0.907 834 HG11 VAL 109 1HG1 VAL 109 12.610 14.524 3.459 835 HG12 VAL 109 2HG1 VAL 109 13.118 13.644 2.016 836 HG13 VAL 109 3HG1 VAL 109 13.109 15.408 2.017 837 HG21 VAL 109 3HG2 VAL 109 9.657 13.026 2.139 838 HG22 VAL 109 1HG2 VAL 109 10.634 12.826 0.683 839 HG23 VAL 109 2HG2 VAL 109 11.308 12.416 2.261 840 H ILE 110 H ILE 110 9.668 17.438 1.570 841 HA ILE 110 HA ILE 110 11.785 19.098 1.781 842 HB ILE 110 HB ILE 110 8.866 19.812 1.994 843 HG12 ILE 110 1HG1 ILE 110 10.832 20.123 -0.284 844 HG13 ILE 110 2HG1 ILE 110 9.718 18.770 -0.115 845 HG21 ILE 110 1HG2 ILE 110 9.743 22.123 1.266 846 HG22 ILE 110 2HG2 ILE 110 9.851 21.678 2.968 847 HG23 ILE 110 3HG2 ILE 110 11.280 21.583 1.939 848 HD11 ILE 110 3HD1 ILE 110 8.326 21.284 0.072 849 HD12 ILE 110 1HD1 ILE 110 9.258 21.174 -1.421 850 HD13 ILE 110 2HD1 ILE 110 8.070 19.930 -1.028 851 H CYS 111 H CYS 111 9.368 18.531 4.296 852 HA CYS 111 HA CYS 111 10.497 20.448 6.104 853 HB2 CYS 111 1HB CYS 111 8.093 19.771 6.125 854 HB3 CYS 111 2HB CYS 111 8.584 18.185 6.709 855 HG CYS 111 HG CYS 111 8.848 21.162 8.366 856 H LYS 112 H LYS 112 12.054 20.176 7.577 857 HA LYS 112 HA LYS 112 13.165 17.469 7.905 858 HB2 LYS 112 1HB LYS 112 14.397 20.176 7.755 859 HB3 LYS 112 2HB LYS 112 15.166 18.989 8.800 860 HG2 LYS 112 1HG LYS 112 14.629 18.695 5.852 861 HG3 LYS 112 2HG LYS 112 16.195 18.973 6.618 862 HD2 LYS 112 1HD LYS 112 15.584 16.789 7.938 863 HD3 LYS 112 2HD LYS 112 14.512 16.508 6.564 864 HE2 LYS 112 1HE LYS 112 16.524 15.429 6.007 865 HE3 LYS 112 2HE LYS 112 16.543 16.937 5.094 866 HZ1 LYS 112 3HZ LYS 112 17.737 17.229 7.671 867 HZ2 LYS 112 1HZ LYS 112 18.368 17.600 6.145 868 HZ3 LYS 112 2HZ LYS 112 18.509 16.030 6.760 869 H GLU 113 H GLU 113 13.289 16.575 9.883 870 HA GLU 113 HA GLU 113 12.998 18.244 12.256 871 HB2 GLU 113 1HB GLU 113 10.698 17.573 11.574 872 HB3 GLU 113 2HB GLU 113 11.176 15.889 11.735 873 HG2 GLU 113 1HG GLU 113 11.557 17.705 14.057 874 HG3 GLU 113 2HG GLU 113 9.930 17.150 13.668 875 H GLU 114 H GLU 114 14.689 17.698 13.455 876 HA GLU 114 HA GLU 114 16.021 15.186 13.210 877 HB2 GLU 114 1HB GLU 114 16.340 17.518 15.091 878 HB3 GLU 114 2HB GLU 114 17.313 16.061 15.235 879 HG2 GLU 114 1HG GLU 114 18.072 16.408 12.896 880 HG3 GLU 114 2HG GLU 114 17.207 17.944 12.893 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -11.796 -25.068 6.671 2 HA2 GLY 1 1HA GLY 1 -10.409 -24.704 4.111 3 HA3 GLY 1 2HA GLY 1 -11.618 -25.974 4.230 4 H SER 2 H SER 2 -11.168 -22.484 4.703 5 HA SER 2 HA SER 2 -12.654 -20.745 4.601 6 HB2 SER 2 1HB SER 2 -13.823 -20.581 2.482 7 HB3 SER 2 2HB SER 2 -12.239 -21.305 2.206 8 HG SER 2 HG SER 2 -13.901 -22.435 1.111 9 H SER 3 H SER 3 -13.483 -22.637 6.455 10 HA SER 3 HA SER 3 -16.018 -23.685 6.245 11 HB2 SER 3 1HB SER 3 -14.497 -22.557 8.580 12 HB3 SER 3 2HB SER 3 -16.138 -23.167 8.787 13 HG SER 3 HG SER 3 -15.355 -25.106 8.746 14 H GLY 4 H GLY 4 -15.092 -20.379 7.129 15 HA2 GLY 4 1HA GLY 4 -17.934 -19.613 6.862 16 HA3 GLY 4 2HA GLY 4 -16.799 -18.801 7.930 17 H SER 5 H SER 5 -14.757 -18.003 6.667 18 HA SER 5 HA SER 5 -15.737 -16.140 4.714 19 HB2 SER 5 1HB SER 5 -12.924 -16.640 5.719 20 HB3 SER 5 2HB SER 5 -13.417 -15.279 4.712 21 HG SER 5 HG SER 5 -14.688 -15.802 7.174 22 H SER 6 H SER 6 -14.908 -15.868 2.576 23 HA SER 6 HA SER 6 -14.362 -18.425 1.281 24 HB2 SER 6 1HB SER 6 -15.095 -15.718 0.143 25 HB3 SER 6 2HB SER 6 -14.826 -17.167 -0.825 26 HG SER 6 HG SER 6 -16.958 -16.494 0.824 27 H GLY 7 H GLY 7 -12.150 -18.357 2.271 28 HA2 GLY 7 1HA GLY 7 -9.891 -17.841 2.210 29 HA3 GLY 7 2HA GLY 7 -10.146 -18.091 0.490 30 H LEU 8 H LEU 8 -11.431 -15.462 2.467 31 HA LEU 8 HA LEU 8 -10.202 -13.552 0.640 32 HB2 LEU 8 1HB LEU 8 -12.337 -13.370 2.736 33 HB3 LEU 8 2HB LEU 8 -11.589 -11.920 2.069 34 HG LEU 8 HG LEU 8 -12.748 -13.906 0.179 35 HD11 LEU 8 1HD1 LEU 8 -14.945 -13.326 0.523 36 HD12 LEU 8 2HD1 LEU 8 -14.534 -11.836 1.371 37 HD13 LEU 8 3HD1 LEU 8 -14.343 -13.392 2.179 38 HD21 LEU 8 3HD2 LEU 8 -12.534 -12.227 -1.269 39 HD22 LEU 8 1HD2 LEU 8 -11.596 -11.399 -0.026 40 HD23 LEU 8 2HD2 LEU 8 -13.325 -11.086 -0.180 41 HA PRO 9 HA PRO 9 -6.932 -12.479 3.386 42 HB2 PRO 9 1HB PRO 9 -6.392 -9.989 2.448 43 HB3 PRO 9 2HB PRO 9 -5.950 -11.461 1.575 44 HG2 PRO 9 1HG PRO 9 -8.293 -9.644 1.160 45 HG3 PRO 9 2HG PRO 9 -7.234 -10.399 -0.046 46 HD2 PRO 9 1HD PRO 9 -9.686 -11.378 0.557 47 HD3 PRO 9 2HD PRO 9 -8.335 -12.421 0.069 48 H GLN 10 H GLN 10 -6.340 -10.917 5.037 49 HA GLN 10 HA GLN 10 -8.435 -9.071 5.884 50 HB2 GLN 10 1HB GLN 10 -7.585 -11.519 7.356 51 HB3 GLN 10 2HB GLN 10 -7.939 -10.073 8.292 52 HG2 GLN 10 1HG GLN 10 -9.858 -11.205 6.282 53 HG3 GLN 10 2HG GLN 10 -9.830 -11.715 7.969 54 HE21 GLN 10 1HE2 GLN 10 -10.879 -9.375 5.743 55 HE22 GLN 10 2HE2 GLN 10 -11.617 -8.290 6.867 56 H VAL 11 H VAL 11 -7.718 -7.403 7.233 57 HA VAL 11 HA VAL 11 -4.813 -7.281 7.692 58 HB VAL 11 HB VAL 11 -6.534 -5.021 6.664 59 HG11 VAL 11 1HG1 VAL 11 -3.555 -4.961 7.021 60 HG12 VAL 11 2HG1 VAL 11 -4.669 -3.613 6.784 61 HG13 VAL 11 3HG1 VAL 11 -4.651 -4.486 8.317 62 HG21 VAL 11 3HG2 VAL 11 -4.444 -5.389 4.913 63 HG22 VAL 11 1HG2 VAL 11 -4.893 -7.037 5.350 64 HG23 VAL 11 2HG2 VAL 11 -6.101 -5.944 4.674 65 H GLU 12 H GLU 12 -5.106 -7.782 9.879 66 HA GLU 12 HA GLU 12 -6.934 -6.632 11.627 67 HB2 GLU 12 1HB GLU 12 -5.133 -8.544 11.932 68 HB3 GLU 12 2HB GLU 12 -4.172 -7.228 12.593 69 HG2 GLU 12 1HG GLU 12 -6.887 -8.089 13.566 70 HG3 GLU 12 2HG GLU 12 -5.345 -8.448 14.340 71 H ALA 13 H ALA 13 -3.584 -5.617 10.969 72 HA ALA 13 HA ALA 13 -4.277 -2.851 11.324 73 HB1 ALA 13 3HB ALA 13 -3.652 -4.161 13.642 74 HB2 ALA 13 1HB ALA 13 -2.097 -3.481 13.163 75 HB3 ALA 13 2HB ALA 13 -3.494 -2.425 13.376 76 H TYR 14 H TYR 14 -2.350 -1.424 11.027 77 HA TYR 14 HA TYR 14 -0.060 -2.682 9.744 78 HB2 TYR 14 1HB TYR 14 -0.276 -1.292 7.717 79 HB3 TYR 14 2HB TYR 14 -1.625 -2.408 7.895 80 HD1 TYR 14 1HD TYR 14 -0.679 1.112 8.710 81 HD2 TYR 14 2HD TYR 14 -3.778 -1.599 7.640 82 HE1 TYR 14 1HE TYR 14 -2.251 2.994 8.520 83 HE2 TYR 14 2HE TYR 14 -5.359 0.275 7.446 84 HH TYR 14 HH TYR 14 -4.855 3.062 6.944 85 H SER 15 H SER 15 1.790 -1.506 9.915 86 HA SER 15 HA SER 15 1.666 1.298 10.686 87 HB2 SER 15 1HB SER 15 3.253 0.846 12.614 88 HB3 SER 15 2HB SER 15 1.590 0.314 12.859 89 HG SER 15 HG SER 15 3.207 -1.577 11.700 90 HA PRO 16 HA PRO 16 3.245 2.734 11.568 91 HB2 PRO 16 1HB PRO 16 4.047 4.903 10.145 92 HB3 PRO 16 2HB PRO 16 5.124 4.012 11.228 93 HG2 PRO 16 1HG PRO 16 4.864 3.838 8.251 94 HG3 PRO 16 2HG PRO 16 6.331 3.866 9.246 95 HD2 PRO 16 1HD PRO 16 5.310 1.577 8.222 96 HD3 PRO 16 2HD PRO 16 6.167 1.629 9.776 97 H SER 17 H SER 17 1.417 4.024 11.503 98 HA SER 17 HA SER 17 -0.560 3.431 9.638 99 HB2 SER 17 1HB SER 17 -0.912 4.374 11.948 100 HB3 SER 17 2HB SER 17 -0.443 5.950 11.310 101 HG SER 17 HG SER 17 -2.427 4.552 9.942 102 H ALA 18 H ALA 18 1.880 5.922 9.632 103 HA ALA 18 HA ALA 18 1.138 6.606 6.893 104 HB1 ALA 18 3HB ALA 18 1.770 9.083 7.907 105 HB2 ALA 18 1HB ALA 18 0.148 8.499 7.534 106 HB3 ALA 18 2HB ALA 18 0.776 8.371 9.178 107 H CYS 19 H CYS 19 2.842 8.118 5.928 108 HA CYS 19 HA CYS 19 5.446 8.114 7.115 109 HB2 CYS 19 1HB CYS 19 4.961 5.732 6.083 110 HB3 CYS 19 2HB CYS 19 5.344 6.546 4.571 111 HG CYS 19 HG CYS 19 7.374 5.469 6.966 112 H SER 20 H SER 20 7.117 8.724 5.260 113 HA SER 20 HA SER 20 6.066 11.146 4.097 114 HB2 SER 20 1HB SER 20 8.817 9.923 4.247 115 HB3 SER 20 2HB SER 20 8.495 11.366 3.285 116 HG SER 20 HG SER 20 8.399 11.019 6.069 117 H VAL 21 H VAL 21 6.098 11.696 1.893 118 HA VAL 21 HA VAL 21 5.093 9.889 0.100 119 HB VAL 21 HB VAL 21 5.947 11.440 -1.711 120 HG11 VAL 21 1HG1 VAL 21 3.752 11.665 -0.558 121 HG12 VAL 21 2HG1 VAL 21 4.510 12.795 0.566 122 HG13 VAL 21 3HG1 VAL 21 4.408 13.190 -1.150 123 HG21 VAL 21 3HG2 VAL 21 7.972 12.181 -0.531 124 HG22 VAL 21 1HG2 VAL 21 6.959 13.539 -1.020 125 HG23 VAL 21 2HG2 VAL 21 6.966 13.004 0.661 126 H ARG 22 H ARG 22 8.475 10.618 0.756 127 HA ARG 22 HA ARG 22 9.725 9.389 -1.367 128 HB2 ARG 22 1HB ARG 22 11.644 9.065 0.105 129 HB3 ARG 22 2HB ARG 22 10.914 10.641 0.379 130 HG2 ARG 22 1HG ARG 22 9.685 9.584 2.321 131 HG3 ARG 22 2HG ARG 22 10.754 8.196 2.113 132 HD2 ARG 22 1HD ARG 22 11.974 10.902 2.290 133 HD3 ARG 22 2HD ARG 22 11.341 10.176 3.767 134 HE ARG 22 HE ARG 22 12.861 8.201 2.770 135 HH11 ARG 22 1HH1 ARG 22 13.482 11.586 3.298 136 HH12 ARG 22 2HH1 ARG 22 15.177 11.364 3.580 137 HH21 ARG 22 1HH2 ARG 22 15.091 7.896 3.140 138 HH22 ARG 22 2HH2 ARG 22 16.091 9.265 3.489 139 H GLY 23 H GLY 23 8.417 7.904 1.567 140 HA2 GLY 23 1HA GLY 23 7.783 5.731 1.976 141 HA3 GLY 23 2HA GLY 23 7.968 5.420 0.257 142 H GLY 24 H GLY 24 9.241 3.708 -0.001 143 HA2 GLY 24 1HA GLY 24 10.980 2.231 0.278 144 HA3 GLY 24 2HA GLY 24 11.951 3.678 0.509 145 H GLU 25 H GLU 25 9.334 2.730 2.643 146 HA GLU 25 HA GLU 25 11.320 2.352 4.778 147 HB2 GLU 25 1HB GLU 25 9.703 3.085 6.339 148 HB3 GLU 25 2HB GLU 25 9.575 4.188 4.976 149 HG2 GLU 25 1HG GLU 25 7.512 3.454 4.390 150 HG3 GLU 25 2HG GLU 25 7.806 1.816 4.972 151 H GLU 26 H GLU 26 10.428 0.882 6.600 152 HA GLU 26 HA GLU 26 9.768 -1.662 5.348 153 HB2 GLU 26 1HB GLU 26 11.636 -1.296 7.079 154 HB3 GLU 26 2HB GLU 26 10.345 -1.232 8.269 155 HG2 GLU 26 1HG GLU 26 9.676 -3.468 7.769 156 HG3 GLU 26 2HG GLU 26 10.777 -3.542 6.394 157 H LEU 27 H LEU 27 7.579 -1.463 4.888 158 HA LEU 27 HA LEU 27 5.739 -0.875 7.071 159 HB2 LEU 27 1HB LEU 27 5.318 0.162 4.918 160 HB3 LEU 27 2HB LEU 27 5.258 -1.420 4.145 161 HG LEU 27 HG LEU 27 3.226 -1.943 5.452 162 HD11 LEU 27 1HD1 LEU 27 3.599 0.879 6.422 163 HD12 LEU 27 2HD1 LEU 27 3.465 -0.594 7.382 164 HD13 LEU 27 3HD1 LEU 27 2.060 0.022 6.512 165 HD21 LEU 27 3HD2 LEU 27 2.590 -1.264 3.375 166 HD22 LEU 27 1HD2 LEU 27 3.400 0.296 3.513 167 HD23 LEU 27 2HD2 LEU 27 1.856 0.030 4.323 168 H VAL 28 H VAL 28 4.993 -2.444 8.321 169 HA VAL 28 HA VAL 28 4.894 -5.184 7.245 170 HB VAL 28 HB VAL 28 5.082 -4.288 10.124 171 HG11 VAL 28 1HG1 VAL 28 5.642 -7.081 9.535 172 HG12 VAL 28 2HG1 VAL 28 4.615 -6.370 10.782 173 HG13 VAL 28 3HG1 VAL 28 3.982 -6.622 9.155 174 HG21 VAL 28 3HG2 VAL 28 7.207 -5.962 9.021 175 HG22 VAL 28 1HG2 VAL 28 7.088 -4.374 8.263 176 HG23 VAL 28 2HG2 VAL 28 7.309 -4.504 10.008 177 H LEU 29 H LEU 29 2.900 -5.686 6.611 178 HA LEU 29 HA LEU 29 0.587 -4.510 7.916 179 HB2 LEU 29 1HB LEU 29 0.706 -6.465 5.626 180 HB3 LEU 29 2HB LEU 29 -0.706 -5.552 6.154 181 HG LEU 29 HG LEU 29 1.773 -4.191 5.140 182 HD11 LEU 29 1HD1 LEU 29 1.204 -5.577 3.326 183 HD12 LEU 29 2HD1 LEU 29 0.471 -4.013 2.972 184 HD13 LEU 29 3HD1 LEU 29 -0.525 -5.336 3.579 185 HD21 LEU 29 3HD2 LEU 29 -1.064 -3.418 5.686 186 HD22 LEU 29 1HD2 LEU 29 -0.111 -2.528 4.498 187 HD23 LEU 29 2HD2 LEU 29 0.431 -2.616 6.174 188 H THR 30 H THR 30 -0.509 -5.460 9.495 189 HA THR 30 HA THR 30 0.046 -8.271 10.105 190 HB THR 30 HB THR 30 -1.400 -6.244 11.819 191 HG1 THR 30 1HG THR 30 1.296 -7.131 12.056 192 HG21 THR 30 3HG2 THR 30 -1.658 -7.860 13.352 193 HG22 THR 30 1HG2 THR 30 -0.027 -8.479 13.100 194 HG23 THR 30 2HG2 THR 30 -1.337 -8.986 12.034 195 H GLY 31 H GLY 31 -1.481 -9.836 10.041 196 HA2 GLY 31 1HA GLY 31 -4.237 -9.519 10.254 197 HA3 GLY 31 2HA GLY 31 -3.848 -9.397 8.544 198 H SER 32 H SER 32 -4.791 -11.276 7.869 199 HA SER 32 HA SER 32 -3.327 -13.703 8.428 200 HB2 SER 32 1HB SER 32 -5.297 -13.358 10.156 201 HB3 SER 32 2HB SER 32 -6.285 -13.936 8.814 202 HG SER 32 HG SER 32 -5.006 -15.416 10.491 203 H ASN 33 H ASN 33 -4.456 -15.590 7.172 204 HA ASN 33 HA ASN 33 -4.924 -16.451 5.118 205 HB2 ASN 33 1HB ASN 33 -7.143 -15.340 5.812 206 HB3 ASN 33 2HB ASN 33 -6.719 -14.077 4.661 207 HD21 ASN 33 1HD2 ASN 33 -8.228 -17.016 5.075 208 HD22 ASN 33 2HD2 ASN 33 -8.378 -17.475 3.416 209 H PHE 34 H PHE 34 -2.609 -14.935 5.202 210 HA PHE 34 HA PHE 34 -2.626 -13.291 2.784 211 HB2 PHE 34 1HB PHE 34 -0.588 -13.712 4.968 212 HB3 PHE 34 2HB PHE 34 -0.216 -12.835 3.487 213 HD1 PHE 34 1HD PHE 34 -2.644 -11.297 3.024 214 HD2 PHE 34 2HD PHE 34 -0.601 -12.143 6.661 215 HE1 PHE 34 1HE PHE 34 -3.559 -9.238 4.013 216 HE2 PHE 34 2HE PHE 34 -1.513 -10.086 7.656 217 HZ PHE 34 HZ PHE 34 -2.995 -8.631 6.332 218 H LEU 35 H LEU 35 -0.837 -13.575 1.223 219 HA LEU 35 HA LEU 35 0.241 -16.285 1.067 220 HB2 LEU 35 1HB LEU 35 -1.440 -14.998 -1.077 221 HB3 LEU 35 2HB LEU 35 -0.454 -16.438 -1.322 222 HG LEU 35 HG LEU 35 -2.503 -16.479 0.838 223 HD11 LEU 35 1HD1 LEU 35 -3.974 -17.455 -1.151 224 HD12 LEU 35 2HD1 LEU 35 -3.062 -16.252 -2.061 225 HD13 LEU 35 3HD1 LEU 35 -4.032 -15.757 -0.674 226 HD21 LEU 35 3HD2 LEU 35 -2.537 -18.803 -0.694 227 HD22 LEU 35 1HD2 LEU 35 -1.752 -18.571 0.868 228 HD23 LEU 35 2HD2 LEU 35 -0.838 -18.333 -0.621 229 HA PRO 36 HA PRO 36 3.826 -14.272 -0.474 230 HB2 PRO 36 1HB PRO 36 4.877 -16.220 -2.047 231 HB3 PRO 36 2HB PRO 36 4.895 -16.297 -0.281 232 HG2 PRO 36 1HG PRO 36 3.029 -17.615 -2.215 233 HG3 PRO 36 2HG PRO 36 3.792 -18.287 -0.762 234 HD2 PRO 36 1HD PRO 36 1.226 -17.424 -0.793 235 HD3 PRO 36 2HD PRO 36 2.254 -17.311 0.650 236 H ASP 37 H ASP 37 2.018 -16.045 -2.983 237 HA ASP 37 HA ASP 37 3.028 -14.578 -5.167 238 HB2 ASP 37 1HB ASP 37 1.363 -15.651 -6.480 239 HB3 ASP 37 2HB ASP 37 1.828 -16.814 -5.242 240 H SER 38 H SER 38 0.474 -13.956 -2.895 241 HA SER 38 HA SER 38 -1.222 -12.245 -4.116 242 HB2 SER 38 1HB SER 38 0.035 -12.044 -1.382 243 HB3 SER 38 2HB SER 38 -1.218 -10.925 -1.918 244 HG SER 38 HG SER 38 -2.422 -12.471 -1.076 245 H LYS 39 H LYS 39 -1.330 -9.851 -4.119 246 HA LYS 39 HA LYS 39 1.288 -8.574 -4.485 247 HB2 LYS 39 1HB LYS 39 -1.036 -8.472 -6.413 248 HB3 LYS 39 2HB LYS 39 0.345 -7.385 -6.487 249 HG2 LYS 39 1HG LYS 39 1.812 -9.389 -6.733 250 HG3 LYS 39 2HG LYS 39 0.350 -10.370 -6.862 251 HD2 LYS 39 1HD LYS 39 0.894 -9.963 -9.082 252 HD3 LYS 39 2HD LYS 39 -0.306 -8.714 -8.741 253 HE2 LYS 39 1HE LYS 39 1.546 -7.131 -8.283 254 HE3 LYS 39 2HE LYS 39 2.693 -8.384 -8.756 255 HZ1 LYS 39 3HZ LYS 39 0.845 -6.832 -10.420 256 HZ2 LYS 39 1HZ LYS 39 1.231 -8.406 -10.904 257 HZ3 LYS 39 2HZ LYS 39 2.456 -7.257 -10.709 258 H VAL 40 H VAL 40 1.172 -6.197 -4.468 259 HA VAL 40 HA VAL 40 -1.198 -5.139 -3.094 260 HB VAL 40 HB VAL 40 1.651 -4.660 -2.206 261 HG11 VAL 40 1HG1 VAL 40 -0.259 -2.820 -2.068 262 HG12 VAL 40 2HG1 VAL 40 -0.687 -3.743 -0.626 263 HG13 VAL 40 3HG1 VAL 40 0.925 -3.042 -0.780 264 HG21 VAL 40 3HG2 VAL 40 0.116 -5.636 -0.089 265 HG22 VAL 40 1HG2 VAL 40 -0.308 -6.643 -1.473 266 HG23 VAL 40 2HG2 VAL 40 1.377 -6.494 -0.974 267 H VAL 41 H VAL 41 -1.956 -3.540 -4.303 268 HA VAL 41 HA VAL 41 -0.037 -1.816 -5.730 269 HB VAL 41 HB VAL 41 -1.678 -1.402 -7.412 270 HG11 VAL 41 1HG1 VAL 41 -1.852 -3.524 -8.430 271 HG12 VAL 41 2HG1 VAL 41 -0.395 -3.587 -7.436 272 HG13 VAL 41 3HG1 VAL 41 -1.882 -4.353 -6.874 273 HG21 VAL 41 3HG2 VAL 41 -3.635 -1.300 -5.923 274 HG22 VAL 41 1HG2 VAL 41 -3.931 -2.300 -7.345 275 HG23 VAL 41 2HG2 VAL 41 -3.607 -3.058 -5.786 276 H PHE 42 H PHE 42 -0.503 0.433 -5.862 277 HA PHE 42 HA PHE 42 -2.102 1.396 -3.591 278 HB2 PHE 42 1HB PHE 42 0.315 2.495 -5.000 279 HB3 PHE 42 2HB PHE 42 -0.717 3.542 -4.032 280 HD1 PHE 42 2HD PHE 42 0.797 0.146 -3.671 281 HD2 PHE 42 1HD PHE 42 0.068 3.960 -1.928 282 HE1 PHE 42 2HE PHE 42 1.998 -0.556 -1.641 283 HE2 PHE 42 1HE PHE 42 1.268 3.265 0.104 284 HZ PHE 42 HZ PHE 42 2.234 1.005 0.250 285 H ILE 43 H ILE 43 -3.078 3.605 -3.918 286 HA ILE 43 HA ILE 43 -3.926 4.094 -6.678 287 HB ILE 43 HB ILE 43 -6.280 4.391 -5.935 288 HG12 ILE 43 1HG1 ILE 43 -5.466 2.880 -3.452 289 HG13 ILE 43 2HG1 ILE 43 -5.623 4.633 -3.485 290 HG21 ILE 43 1HG2 ILE 43 -6.315 1.694 -5.306 291 HG22 ILE 43 2HG2 ILE 43 -6.386 2.398 -6.920 292 HG23 ILE 43 3HG2 ILE 43 -4.836 1.900 -6.244 293 HD11 ILE 43 3HD1 ILE 43 -7.717 2.534 -3.628 294 HD12 ILE 43 1HD1 ILE 43 -7.677 4.035 -2.703 295 HD13 ILE 43 2HD1 ILE 43 -8.002 4.076 -4.436 296 H GLU 44 H GLU 44 -4.859 6.208 -7.012 297 HA GLU 44 HA GLU 44 -4.421 8.134 -4.849 298 HB2 GLU 44 1HB GLU 44 -2.364 8.197 -6.120 299 HB3 GLU 44 2HB GLU 44 -3.255 8.347 -7.628 300 HG2 GLU 44 1HG GLU 44 -4.204 10.508 -6.547 301 HG3 GLU 44 2HG GLU 44 -2.798 10.377 -5.492 302 H ARG 45 H ARG 45 -5.924 9.704 -4.750 303 HA ARG 45 HA ARG 45 -8.018 9.675 -6.799 304 HB2 ARG 45 1HB ARG 45 -7.960 10.673 -3.953 305 HB3 ARG 45 2HB ARG 45 -9.292 11.012 -5.050 306 HG2 ARG 45 1HG ARG 45 -9.918 8.759 -5.167 307 HG3 ARG 45 2HG ARG 45 -8.384 8.211 -4.489 308 HD2 ARG 45 1HD ARG 45 -8.972 8.795 -2.338 309 HD3 ARG 45 2HD ARG 45 -10.139 10.003 -2.875 310 HE ARG 45 HE ARG 45 -10.616 7.201 -2.446 311 HH11 ARG 45 1HH1 ARG 45 -11.672 10.064 -4.122 312 HH12 ARG 45 2HH1 ARG 45 -13.298 9.502 -4.328 313 HH21 ARG 45 1HH2 ARG 45 -12.754 6.450 -2.711 314 HH22 ARG 45 2HH2 ARG 45 -13.912 7.446 -3.524 315 H GLY 46 H GLY 46 -8.347 11.339 -8.141 316 HA2 GLY 46 1HA GLY 46 -6.601 13.674 -7.863 317 HA3 GLY 46 2HA GLY 46 -7.463 13.195 -9.317 318 HA PRO 47 HA PRO 47 -9.698 16.618 -6.903 319 HB2 PRO 47 1HB PRO 47 -9.194 18.666 -8.612 320 HB3 PRO 47 2HB PRO 47 -8.142 18.273 -7.247 321 HG2 PRO 47 1HG PRO 47 -7.836 17.565 -10.140 322 HG3 PRO 47 2HG PRO 47 -6.610 18.136 -8.992 323 HD2 PRO 47 1HD PRO 47 -6.873 15.526 -9.664 324 HD3 PRO 47 2HD PRO 47 -6.334 16.048 -8.055 325 H ASP 48 H ASP 48 -9.752 15.025 -9.842 326 HA ASP 48 HA ASP 48 -11.998 16.435 -10.994 327 HB2 ASP 48 1HB ASP 48 -10.531 13.913 -11.770 328 HB3 ASP 48 2HB ASP 48 -11.941 14.506 -12.644 329 H GLY 49 H GLY 49 -11.416 13.410 -9.265 330 HA2 GLY 49 1HA GLY 49 -13.434 12.978 -7.733 331 HA3 GLY 49 2HA GLY 49 -14.318 12.905 -9.250 332 H LYS 50 H LYS 50 -12.011 11.610 -10.605 333 HA LYS 50 HA LYS 50 -12.501 8.899 -9.586 334 HB2 LYS 50 1HB LYS 50 -11.536 9.818 -12.301 335 HB3 LYS 50 2HB LYS 50 -11.802 8.143 -11.834 336 HG2 LYS 50 1HG LYS 50 -14.212 8.986 -11.283 337 HG3 LYS 50 2HG LYS 50 -13.785 10.297 -12.384 338 HD2 LYS 50 1HD LYS 50 -13.585 8.877 -14.203 339 HD3 LYS 50 2HD LYS 50 -13.312 7.456 -13.192 340 HE2 LYS 50 1HE LYS 50 -15.497 7.265 -14.122 341 HE3 LYS 50 2HE LYS 50 -15.683 7.663 -12.415 342 HZ1 LYS 50 3HZ LYS 50 -17.040 9.252 -13.161 343 HZ2 LYS 50 1HZ LYS 50 -16.453 9.169 -14.746 344 HZ3 LYS 50 2HZ LYS 50 -15.635 10.092 -13.588 345 H LEU 51 H LEU 51 -10.813 7.448 -9.260 346 HA LEU 51 HA LEU 51 -8.188 8.710 -8.897 347 HB2 LEU 51 1HB LEU 51 -7.756 6.632 -7.495 348 HB3 LEU 51 2HB LEU 51 -8.895 7.819 -6.861 349 HG LEU 51 HG LEU 51 -10.752 6.364 -7.689 350 HD11 LEU 51 1HD1 LEU 51 -9.690 3.876 -7.856 351 HD12 LEU 51 2HD1 LEU 51 -8.452 4.830 -8.673 352 HD13 LEU 51 3HD1 LEU 51 -10.120 4.876 -9.245 353 HD21 LEU 51 3HD2 LEU 51 -10.421 6.181 -5.412 354 HD22 LEU 51 1HD2 LEU 51 -8.803 5.502 -5.594 355 HD23 LEU 51 2HD2 LEU 51 -10.220 4.510 -5.943 356 H GLN 52 H GLN 52 -6.394 7.974 -9.909 357 HA GLN 52 HA GLN 52 -6.418 5.429 -11.299 358 HB2 GLN 52 1HB GLN 52 -5.698 6.505 -13.450 359 HB3 GLN 52 2HB GLN 52 -7.379 6.786 -13.015 360 HG2 GLN 52 1HG GLN 52 -6.654 8.993 -12.063 361 HG3 GLN 52 2HG GLN 52 -5.076 8.703 -12.795 362 HE21 GLN 52 1HE2 GLN 52 -6.745 10.882 -13.398 363 HE22 GLN 52 2HE2 GLN 52 -7.227 10.751 -15.052 364 H TRP 53 H TRP 53 -4.625 4.591 -10.442 365 HA TRP 53 HA TRP 53 -2.096 5.928 -10.938 366 HB2 TRP 53 1HB TRP 53 -2.929 6.662 -8.648 367 HB3 TRP 53 2HB TRP 53 -2.727 4.988 -8.140 368 HD1 TRP 53 HD TRP 53 -0.121 6.418 -10.496 369 HE1 TRP 53 1HE TRP 53 2.092 6.725 -9.219 370 HE3 TRP 53 3HE TRP 53 -1.789 5.502 -5.751 371 HZ2 TRP 53 2HZ TRP 53 3.010 6.594 -6.553 372 HZ3 TRP 53 3HZ TRP 53 -0.180 5.612 -3.894 373 HH2 TRP 53 HH TRP 53 2.170 6.146 -4.288 374 H GLU 54 H GLU 54 -1.035 4.405 -12.021 375 HA GLU 54 HA GLU 54 -1.304 1.606 -11.167 376 HB2 GLU 54 1HB GLU 54 -1.886 2.027 -13.500 377 HB3 GLU 54 2HB GLU 54 -0.315 2.767 -13.777 378 HG2 GLU 54 1HG GLU 54 0.785 0.646 -13.361 379 HG3 GLU 54 2HG GLU 54 -0.770 -0.108 -13.011 380 H GLU 55 H GLU 55 0.199 1.296 -9.608 381 HA GLU 55 HA GLU 55 2.996 1.554 -10.414 382 HB2 GLU 55 1HB GLU 55 3.479 2.385 -8.027 383 HB3 GLU 55 2HB GLU 55 2.845 3.541 -9.189 384 HG2 GLU 55 1HG GLU 55 1.868 3.498 -6.812 385 HG3 GLU 55 2HG GLU 55 0.768 3.618 -8.184 386 H GLU 56 H GLU 56 4.437 0.183 -9.251 387 HA GLU 56 HA GLU 56 3.061 -2.058 -7.926 388 HB2 GLU 56 1HB GLU 56 4.082 -2.838 -9.929 389 HB3 GLU 56 2HB GLU 56 5.570 -1.963 -9.594 390 HG2 GLU 56 1HG GLU 56 4.562 -4.215 -7.881 391 HG3 GLU 56 2HG GLU 56 5.657 -4.444 -9.242 392 H ALA 57 H ALA 57 4.003 -3.011 -6.090 393 HA ALA 57 HA ALA 57 6.056 -1.369 -4.756 394 HB1 ALA 57 3HB ALA 57 4.022 -2.822 -3.139 395 HB2 ALA 57 1HB ALA 57 4.908 -1.340 -2.776 396 HB3 ALA 57 2HB ALA 57 3.566 -1.308 -3.920 397 H THR 58 H THR 58 7.810 -2.433 -4.106 398 HA THR 58 HA THR 58 8.253 -5.132 -4.700 399 HB THR 58 HB THR 58 9.759 -3.422 -2.711 400 HG1 THR 58 1HG THR 58 9.750 -2.478 -4.776 401 HG21 THR 58 3HG2 THR 58 10.555 -5.930 -4.194 402 HG22 THR 58 1HG2 THR 58 10.286 -5.781 -2.458 403 HG23 THR 58 2HG2 THR 58 11.639 -4.942 -3.215 404 H VAL 59 H VAL 59 7.854 -6.971 -3.641 405 HA VAL 59 HA VAL 59 7.044 -6.803 -0.812 406 HB VAL 59 HB VAL 59 5.888 -8.606 -2.943 407 HG11 VAL 59 1HG1 VAL 59 5.346 -10.008 -1.308 408 HG12 VAL 59 2HG1 VAL 59 6.050 -8.933 -0.098 409 HG13 VAL 59 3HG1 VAL 59 4.366 -8.732 -0.586 410 HG21 VAL 59 3HG2 VAL 59 4.736 -6.293 -1.392 411 HG22 VAL 59 1HG2 VAL 59 4.989 -6.398 -3.134 412 HG23 VAL 59 2HG2 VAL 59 3.772 -7.411 -2.357 413 H ASN 60 H ASN 60 8.240 -7.980 0.526 414 HA ASN 60 HA ASN 60 10.248 -9.768 -0.518 415 HB2 ASN 60 1HB ASN 60 9.579 -8.665 2.187 416 HB3 ASN 60 2HB ASN 60 10.641 -10.064 2.062 417 HD21 ASN 60 1HD2 ASN 60 12.409 -8.945 2.840 418 HD22 ASN 60 2HD2 ASN 60 13.232 -7.745 1.908 419 H ARG 61 H ARG 61 9.628 -11.739 -1.135 420 HA ARG 61 HA ARG 61 7.371 -13.103 -0.103 421 HB2 ARG 61 1HB ARG 61 9.705 -14.016 -1.783 422 HB3 ARG 61 2HB ARG 61 8.376 -15.079 -1.341 423 HG2 ARG 61 1HG ARG 61 7.762 -12.475 -2.646 424 HG3 ARG 61 2HG ARG 61 8.380 -13.807 -3.625 425 HD2 ARG 61 1HD ARG 61 6.125 -14.312 -1.741 426 HD3 ARG 61 2HD ARG 61 5.800 -13.480 -3.261 427 HE ARG 61 HE ARG 61 6.568 -16.256 -2.914 428 HH11 ARG 61 1HH1 ARG 61 6.140 -13.579 -5.099 429 HH12 ARG 61 2HH1 ARG 61 6.022 -14.580 -6.509 430 HH21 ARG 61 1HH2 ARG 61 6.413 -17.584 -4.763 431 HH22 ARG 61 2HH2 ARG 61 6.176 -16.857 -6.316 432 H LEU 62 H LEU 62 10.865 -13.583 0.369 433 HA LEU 62 HA LEU 62 10.744 -15.768 2.082 434 HB2 LEU 62 1HB LEU 62 12.700 -13.589 1.592 435 HB3 LEU 62 2HB LEU 62 12.915 -14.576 3.036 436 HG LEU 62 HG LEU 62 12.599 -15.916 0.387 437 HD11 LEU 62 1HD1 LEU 62 14.281 -14.125 0.074 438 HD12 LEU 62 2HD1 LEU 62 14.952 -15.749 -0.064 439 HD13 LEU 62 3HD1 LEU 62 15.210 -14.811 1.407 440 HD21 LEU 62 3HD2 LEU 62 12.656 -17.136 2.586 441 HD22 LEU 62 1HD2 LEU 62 14.327 -16.597 2.756 442 HD23 LEU 62 2HD2 LEU 62 13.870 -17.641 1.410 443 H GLN 63 H GLN 63 10.636 -12.306 2.836 444 HA GLN 63 HA GLN 63 10.472 -12.705 5.659 445 HB2 GLN 63 1HB GLN 63 9.902 -10.305 3.917 446 HB3 GLN 63 2HB GLN 63 9.822 -10.271 5.674 447 HG2 GLN 63 1HG GLN 63 12.291 -11.097 4.179 448 HG3 GLN 63 2HG GLN 63 11.952 -9.425 4.621 449 HE21 GLN 63 1HE2 GLN 63 14.212 -10.511 5.545 450 HE22 GLN 63 2HE2 GLN 63 14.096 -10.839 7.237 451 H SER 64 H SER 64 8.117 -11.962 3.115 452 HA SER 64 HA SER 64 5.856 -11.593 4.661 453 HB2 SER 64 1HB SER 64 4.564 -12.160 2.694 454 HB3 SER 64 2HB SER 64 5.997 -11.265 2.187 455 HG SER 64 HG SER 64 5.601 -14.073 2.077 456 H ASN 65 H ASN 65 4.464 -12.876 5.741 457 HA ASN 65 HA ASN 65 4.908 -15.785 5.616 458 HB2 ASN 65 1HB ASN 65 5.789 -14.633 7.714 459 HB3 ASN 65 2HB ASN 65 4.107 -14.312 8.125 460 HD21 ASN 65 1HD2 ASN 65 4.204 -15.572 9.970 461 HD22 ASN 65 2HD2 ASN 65 4.264 -17.297 9.909 462 H GLU 66 H GLU 66 2.963 -16.912 6.820 463 HA GLU 66 HA GLU 66 0.687 -16.526 5.249 464 HB2 GLU 66 1HB GLU 66 1.453 -18.561 6.701 465 HB3 GLU 66 2HB GLU 66 0.503 -17.787 7.961 466 HG2 GLU 66 1HG GLU 66 -1.471 -17.869 6.534 467 HG3 GLU 66 2HG GLU 66 -0.522 -18.632 5.260 468 H VAL 67 H VAL 67 1.728 -14.917 8.093 469 HA VAL 67 HA VAL 67 -0.819 -13.447 8.177 470 HB VAL 67 HB VAL 67 -0.654 -13.274 10.623 471 HG11 VAL 67 1HG1 VAL 67 -0.558 -16.199 10.206 472 HG12 VAL 67 2HG1 VAL 67 -1.791 -15.201 10.979 473 HG13 VAL 67 3HG1 VAL 67 -1.706 -15.295 9.219 474 HG21 VAL 67 3HG2 VAL 67 1.185 -15.495 10.991 475 HG22 VAL 67 1HG2 VAL 67 1.957 -14.088 10.259 476 HG23 VAL 67 2HG2 VAL 67 1.123 -13.932 11.805 477 H THR 68 H THR 68 1.840 -12.915 6.965 478 HA THR 68 HA THR 68 2.168 -10.236 8.043 479 HB THR 68 HB THR 68 4.516 -12.131 7.837 480 HG1 THR 68 1HG THR 68 4.085 -12.493 9.868 481 HG21 THR 68 3HG2 THR 68 5.864 -10.287 8.637 482 HG22 THR 68 1HG2 THR 68 4.443 -9.247 8.730 483 HG23 THR 68 2HG2 THR 68 5.029 -9.802 7.162 484 H LEU 69 H LEU 69 2.547 -8.787 6.474 485 HA LEU 69 HA LEU 69 3.474 -9.781 3.862 486 HB2 LEU 69 1HB LEU 69 1.103 -8.144 4.559 487 HB3 LEU 69 2HB LEU 69 1.974 -7.720 3.086 488 HG LEU 69 HG LEU 69 0.649 -10.356 3.712 489 HD11 LEU 69 1HD1 LEU 69 -0.424 -8.011 2.728 490 HD12 LEU 69 2HD1 LEU 69 -1.109 -9.627 2.559 491 HD13 LEU 69 3HD1 LEU 69 -0.095 -8.962 1.279 492 HD21 LEU 69 3HD2 LEU 69 2.427 -11.070 2.452 493 HD22 LEU 69 1HD2 LEU 69 2.574 -9.538 1.591 494 HD23 LEU 69 2HD2 LEU 69 1.275 -10.658 1.180 495 H THR 70 H THR 70 5.516 -9.032 3.817 496 HA THR 70 HA THR 70 6.060 -6.285 4.660 497 HB THR 70 HB THR 70 8.043 -8.393 3.788 498 HG1 THR 70 1HG THR 70 8.059 -9.084 5.812 499 HG21 THR 70 3HG2 THR 70 9.667 -6.895 4.177 500 HG22 THR 70 1HG2 THR 70 8.890 -6.301 5.643 501 HG23 THR 70 2HG2 THR 70 8.392 -5.682 4.068 502 H LEU 71 H LEU 71 6.412 -4.674 3.266 503 HA LEU 71 HA LEU 71 7.218 -5.267 0.524 504 HB2 LEU 71 1HB LEU 71 5.451 -4.152 -0.508 505 HB3 LEU 71 2HB LEU 71 4.682 -5.151 0.723 506 HG LEU 71 HG LEU 71 5.312 -2.298 1.341 507 HD11 LEU 71 1HD1 LEU 71 3.302 -1.516 0.358 508 HD12 LEU 71 2HD1 LEU 71 2.798 -3.148 -0.077 509 HD13 LEU 71 3HD1 LEU 71 4.169 -2.401 -0.897 510 HD21 LEU 71 3HD2 LEU 71 3.995 -4.444 2.616 511 HD22 LEU 71 1HD2 LEU 71 2.764 -3.251 2.201 512 HD23 LEU 71 2HD2 LEU 71 4.158 -2.778 3.172 513 H THR 72 H THR 72 7.506 -3.078 -0.690 514 HA THR 72 HA THR 72 8.862 -1.223 1.157 515 HB THR 72 HB THR 72 9.527 -1.678 -1.757 516 HG1 THR 72 1HG THR 72 11.238 -2.475 0.314 517 HG21 THR 72 3HG2 THR 72 10.523 0.319 -1.441 518 HG22 THR 72 1HG2 THR 72 11.737 -0.622 -0.576 519 HG23 THR 72 2HG2 THR 72 10.451 0.191 0.316 520 H VAL 73 H VAL 73 7.572 0.484 1.460 521 HA VAL 73 HA VAL 73 5.484 1.426 0.029 522 HB VAL 73 HB VAL 73 7.541 3.217 1.329 523 HG11 VAL 73 1HG1 VAL 73 4.713 3.617 0.432 524 HG12 VAL 73 2HG1 VAL 73 5.376 4.566 1.765 525 HG13 VAL 73 3HG1 VAL 73 6.124 4.642 0.169 526 HG21 VAL 73 3HG2 VAL 73 5.558 2.971 3.148 527 HG22 VAL 73 1HG2 VAL 73 5.540 1.360 2.429 528 HG23 VAL 73 2HG2 VAL 73 7.023 1.988 3.148 529 HA PRO 74 HA PRO 74 7.338 2.480 -3.898 530 HB2 PRO 74 1HB PRO 74 5.011 3.208 -5.092 531 HB3 PRO 74 2HB PRO 74 5.486 1.521 -4.861 532 HG2 PRO 74 1HG PRO 74 3.611 3.199 -3.240 533 HG3 PRO 74 2HG PRO 74 3.432 1.517 -3.770 534 HD2 PRO 74 1HD PRO 74 4.212 2.179 -1.264 535 HD3 PRO 74 2HD PRO 74 4.780 0.710 -2.083 536 H GLU 75 H GLU 75 7.626 4.390 -5.158 537 HA GLU 75 HA GLU 75 7.556 6.799 -3.588 538 HB2 GLU 75 1HB GLU 75 8.719 5.970 -6.197 539 HB3 GLU 75 2HB GLU 75 8.420 7.685 -5.957 540 HG2 GLU 75 1HG GLU 75 10.539 7.578 -5.172 541 HG3 GLU 75 2HG GLU 75 9.674 7.217 -3.679 542 H TYR 76 H TYR 76 6.091 8.376 -3.647 543 HA TYR 76 HA TYR 76 3.665 8.077 -5.061 544 HB2 TYR 76 1HB TYR 76 3.837 9.279 -2.916 545 HB3 TYR 76 2HB TYR 76 4.779 10.541 -3.702 546 HD1 TYR 76 1HD TYR 76 1.606 8.760 -4.577 547 HD2 TYR 76 2HD TYR 76 3.555 12.481 -3.898 548 HE1 TYR 76 1HE TYR 76 -0.471 9.946 -5.151 549 HE2 TYR 76 2HE TYR 76 1.483 13.677 -4.468 550 HH TYR 76 HH TYR 76 -1.430 11.922 -5.489 551 H SER 77 H SER 77 2.740 9.616 -6.593 552 HA SER 77 HA SER 77 4.514 10.072 -8.788 553 HB2 SER 77 1HB SER 77 2.501 10.976 -9.921 554 HB3 SER 77 2HB SER 77 2.206 9.397 -9.193 555 HG SER 77 HG SER 77 0.959 10.301 -7.685 556 H ASN 78 H ASN 78 2.317 12.361 -7.159 557 HA ASN 78 HA ASN 78 3.967 14.585 -7.990 558 HB2 ASN 78 1HB ASN 78 1.291 14.255 -6.731 559 HB3 ASN 78 2HB ASN 78 2.143 15.767 -6.430 560 HD21 ASN 78 1HD2 ASN 78 -0.150 15.992 -7.701 561 HD22 ASN 78 2HD2 ASN 78 0.075 16.311 -9.384 562 H LYS 79 H LYS 79 5.897 14.319 -6.864 563 HA LYS 79 HA LYS 79 5.863 14.153 -3.969 564 HB2 LYS 79 1HB LYS 79 8.079 14.258 -6.011 565 HB3 LYS 79 2HB LYS 79 8.389 14.298 -4.281 566 HG2 LYS 79 1HG LYS 79 6.692 12.108 -5.352 567 HG3 LYS 79 2HG LYS 79 8.432 12.047 -5.644 568 HD2 LYS 79 1HD LYS 79 7.384 12.577 -2.891 569 HD3 LYS 79 2HD LYS 79 7.445 10.927 -3.515 570 HE2 LYS 79 1HE LYS 79 9.831 12.754 -3.570 571 HE3 LYS 79 2HE LYS 79 9.454 11.745 -2.174 572 HZ1 LYS 79 3HZ LYS 79 10.581 10.153 -3.206 573 HZ2 LYS 79 1HZ LYS 79 10.650 11.018 -4.659 574 HZ3 LYS 79 2HZ LYS 79 9.307 10.049 -4.314 575 H ARG 80 H ARG 80 6.974 16.464 -6.435 576 HA ARG 80 HA ARG 80 8.075 18.459 -5.028 577 HB2 ARG 80 1HB ARG 80 6.025 18.666 -7.229 578 HB3 ARG 80 2HB ARG 80 6.859 20.074 -6.583 579 HG2 ARG 80 1HG ARG 80 8.416 17.729 -7.585 580 HG3 ARG 80 2HG ARG 80 7.765 18.923 -8.710 581 HD2 ARG 80 1HD ARG 80 8.900 20.683 -7.296 582 HD3 ARG 80 2HD ARG 80 9.723 19.362 -6.467 583 HE ARG 80 HE ARG 80 10.063 19.130 -9.264 584 HH11 ARG 80 1HH1 ARG 80 11.114 21.006 -6.526 585 HH12 ARG 80 2HH1 ARG 80 12.649 21.407 -7.224 586 HH21 ARG 80 1HH2 ARG 80 12.080 19.650 -10.194 587 HH22 ARG 80 2HH2 ARG 80 13.197 20.635 -9.311 588 H VAL 81 H VAL 81 4.584 17.866 -5.229 589 HA VAL 81 HA VAL 81 3.407 19.926 -4.028 590 HB VAL 81 HB VAL 81 1.867 18.400 -2.860 591 HG11 VAL 81 1HG1 VAL 81 1.417 16.903 -4.954 592 HG12 VAL 81 2HG1 VAL 81 1.226 18.655 -5.057 593 HG13 VAL 81 3HG1 VAL 81 2.686 17.887 -5.683 594 HG21 VAL 81 3HG2 VAL 81 3.338 16.750 -1.983 595 HG22 VAL 81 1HG2 VAL 81 2.272 15.932 -3.126 596 HG23 VAL 81 2HG2 VAL 81 3.927 16.328 -3.590 597 H SER 82 H SER 82 3.558 21.081 -2.216 598 HA SER 82 HA SER 82 5.514 20.344 -0.226 599 HB2 SER 82 1HB SER 82 4.881 22.555 0.795 600 HB3 SER 82 2HB SER 82 5.436 22.660 -0.876 601 HG SER 82 HG SER 82 3.006 23.281 0.195 602 H ARG 83 H ARG 83 2.159 19.962 -0.654 603 HA ARG 83 HA ARG 83 1.726 19.545 2.221 604 HB2 ARG 83 1HB ARG 83 -0.233 19.881 -0.055 605 HB3 ARG 83 2HB ARG 83 -0.700 19.503 1.598 606 HG2 ARG 83 1HG ARG 83 -0.968 21.753 1.647 607 HG3 ARG 83 2HG ARG 83 0.733 21.667 2.110 608 HD2 ARG 83 1HD ARG 83 0.770 23.276 0.456 609 HD3 ARG 83 2HD ARG 83 1.162 21.814 -0.449 610 HE ARG 83 HE ARG 83 -0.844 21.990 -1.556 611 HH11 ARG 83 1HH1 ARG 83 -0.807 24.172 1.157 612 HH12 ARG 83 2HH1 ARG 83 -2.260 24.990 0.686 613 HH21 ARG 83 1HH2 ARG 83 -2.758 23.059 -2.187 614 HH22 ARG 83 2HH2 ARG 83 -3.370 24.355 -1.216 615 HA PRO 84 HA PRO 84 1.558 15.178 1.811 616 HB2 PRO 84 1HB PRO 84 -0.319 14.546 3.669 617 HB3 PRO 84 2HB PRO 84 1.308 15.093 4.094 618 HG2 PRO 84 1HG PRO 84 -1.250 16.647 4.002 619 HG3 PRO 84 2HG PRO 84 0.038 16.683 5.221 620 HD2 PRO 84 1HD PRO 84 -0.198 18.571 3.294 621 HD3 PRO 84 2HD PRO 84 1.373 18.068 3.951 622 H VAL 85 H VAL 85 0.048 13.330 1.429 623 HA VAL 85 HA VAL 85 -2.465 14.132 0.140 624 HB VAL 85 HB VAL 85 -0.437 12.275 -1.114 625 HG11 VAL 85 1HG1 VAL 85 -2.309 11.401 -2.013 626 HG12 VAL 85 2HG1 VAL 85 -3.282 12.823 -1.633 627 HG13 VAL 85 3HG1 VAL 85 -2.236 12.822 -3.054 628 HG21 VAL 85 3HG2 VAL 85 -1.316 15.051 -1.905 629 HG22 VAL 85 1HG2 VAL 85 0.269 14.588 -1.285 630 HG23 VAL 85 2HG2 VAL 85 -0.267 14.003 -2.860 631 H GLN 86 H GLN 86 -4.125 12.703 0.358 632 HA GLN 86 HA GLN 86 -3.651 10.443 2.148 633 HB2 GLN 86 1HB GLN 86 -5.403 11.893 2.878 634 HB3 GLN 86 2HB GLN 86 -6.160 11.880 1.290 635 HG2 GLN 86 1HG GLN 86 -7.523 10.437 2.399 636 HG3 GLN 86 2HG GLN 86 -6.338 9.304 1.749 637 HE21 GLN 86 1HE2 GLN 86 -5.876 7.798 3.169 638 HE22 GLN 86 2HE2 GLN 86 -5.676 8.021 4.870 639 H VAL 87 H VAL 87 -3.309 8.521 1.267 640 HA VAL 87 HA VAL 87 -4.838 7.786 -1.142 641 HB VAL 87 HB VAL 87 -2.943 6.500 -1.964 642 HG11 VAL 87 1HG1 VAL 87 -1.290 8.652 -1.997 643 HG12 VAL 87 2HG1 VAL 87 -2.702 8.461 -3.037 644 HG13 VAL 87 3HG1 VAL 87 -2.821 9.404 -1.552 645 HG21 VAL 87 3HG2 VAL 87 -0.951 7.663 -0.167 646 HG22 VAL 87 1HG2 VAL 87 -2.050 6.529 0.620 647 HG23 VAL 87 2HG2 VAL 87 -1.104 6.015 -0.777 648 H TYR 88 H TYR 88 -4.574 5.269 -1.466 649 HA TYR 88 HA TYR 88 -4.671 3.858 1.090 650 HB2 TYR 88 1HB TYR 88 -6.898 3.530 -0.917 651 HB3 TYR 88 2HB TYR 88 -6.824 2.915 0.731 652 HD1 TYR 88 2HD TYR 88 -6.586 6.226 -1.002 653 HD2 TYR 88 1HD TYR 88 -8.152 3.996 2.266 654 HE1 TYR 88 2HE TYR 88 -7.768 8.231 -0.207 655 HE2 TYR 88 1HE TYR 88 -9.339 5.995 3.069 656 HH TYR 88 HH TYR 88 -9.947 8.098 2.575 657 H PHE 89 H PHE 89 -4.931 1.443 0.708 658 HA PHE 89 HA PHE 89 -3.960 0.521 -1.873 659 HB2 PHE 89 1HB PHE 89 -2.123 -0.799 -0.717 660 HB3 PHE 89 2HB PHE 89 -1.857 0.937 -0.848 661 HD1 PHE 89 1HD PHE 89 -1.985 2.368 1.117 662 HD2 PHE 89 2HD PHE 89 -2.468 -1.851 1.410 663 HE1 PHE 89 1HE PHE 89 -1.639 2.500 3.550 664 HE2 PHE 89 2HE PHE 89 -2.124 -1.725 3.843 665 HZ PHE 89 HZ PHE 89 -1.709 0.452 4.916 666 H TYR 90 H TYR 90 -4.102 -1.786 -2.133 667 HA TYR 90 HA TYR 90 -5.516 -3.265 -0.059 668 HB2 TYR 90 1HB TYR 90 -7.302 -3.970 -1.571 669 HB3 TYR 90 2HB TYR 90 -7.301 -2.220 -1.393 670 HD1 TYR 90 1HD TYR 90 -5.909 -4.869 -3.632 671 HD2 TYR 90 2HD TYR 90 -7.463 -0.922 -3.298 672 HE1 TYR 90 1HE TYR 90 -5.804 -4.627 -6.078 673 HE2 TYR 90 2HE TYR 90 -7.363 -0.669 -5.743 674 HH TYR 90 HH TYR 90 -6.893 -3.274 -7.843 675 H VAL 91 H VAL 91 -5.612 -5.574 -0.490 676 HA VAL 91 HA VAL 91 -3.322 -6.440 -2.110 677 HB VAL 91 HB VAL 91 -4.771 -7.811 0.157 678 HG11 VAL 91 1HG1 VAL 91 -2.819 -9.465 -0.101 679 HG12 VAL 91 2HG1 VAL 91 -4.170 -9.589 -1.230 680 HG13 VAL 91 3HG1 VAL 91 -2.668 -8.812 -1.732 681 HG21 VAL 91 3HG2 VAL 91 -3.002 -5.874 0.435 682 HG22 VAL 91 1HG2 VAL 91 -2.995 -7.281 1.499 683 HG23 VAL 91 2HG2 VAL 91 -1.860 -7.188 0.152 684 H SER 92 H SER 92 -3.484 -8.367 -3.387 685 HA SER 92 HA SER 92 -6.232 -8.944 -4.284 686 HB2 SER 92 1HB SER 92 -5.132 -7.715 -6.030 687 HB3 SER 92 2HB SER 92 -3.692 -8.726 -5.910 688 HG SER 92 HG SER 92 -5.356 -9.157 -7.644 689 H ASN 93 H ASN 93 -6.815 -10.928 -3.734 690 HA ASN 93 HA ASN 93 -4.827 -13.088 -3.943 691 HB2 ASN 93 1HB ASN 93 -6.882 -12.689 -1.760 692 HB3 ASN 93 2HB ASN 93 -5.952 -14.168 -1.980 693 HD21 ASN 93 1HD2 ASN 93 -5.479 -13.446 0.326 694 HD22 ASN 93 2HD2 ASN 93 -4.064 -12.477 0.540 695 H GLY 94 H GLY 94 -5.492 -14.053 -5.787 696 HA2 GLY 94 1HA GLY 94 -6.882 -15.852 -6.604 697 HA3 GLY 94 2HA GLY 94 -8.248 -15.099 -5.795 698 H ARG 95 H ARG 95 -9.598 -14.816 -7.501 699 HA ARG 95 HA ARG 95 -8.607 -13.113 -9.693 700 HB2 ARG 95 1HB ARG 95 -10.250 -14.186 -11.158 701 HB3 ARG 95 2HB ARG 95 -9.139 -15.368 -10.479 702 HG2 ARG 95 1HG ARG 95 -10.907 -15.836 -8.734 703 HG3 ARG 95 2HG ARG 95 -12.003 -14.873 -9.727 704 HD2 ARG 95 1HD ARG 95 -12.379 -17.086 -10.400 705 HD3 ARG 95 2HD ARG 95 -11.337 -16.408 -11.651 706 HE ARG 95 HE ARG 95 -9.754 -17.642 -9.679 707 HH11 ARG 95 1HH1 ARG 95 -11.971 -18.431 -12.244 708 HH12 ARG 95 2HH1 ARG 95 -11.260 -19.979 -12.559 709 HH21 ARG 95 1HH2 ARG 95 -8.809 -19.678 -10.084 710 HH22 ARG 95 2HH2 ARG 95 -9.462 -20.688 -11.329 711 H ARG 96 H ARG 96 -11.595 -14.053 -7.986 712 HA ARG 96 HA ARG 96 -12.591 -11.315 -8.406 713 HB2 ARG 96 1HB ARG 96 -13.869 -13.396 -9.293 714 HB3 ARG 96 2HB ARG 96 -14.328 -13.631 -7.612 715 HG2 ARG 96 1HG ARG 96 -15.236 -11.297 -7.628 716 HG3 ARG 96 2HG ARG 96 -14.951 -11.273 -9.369 717 HD2 ARG 96 1HD ARG 96 -16.447 -13.144 -9.679 718 HD3 ARG 96 2HD ARG 96 -16.657 -13.304 -7.935 719 HE ARG 96 HE ARG 96 -17.398 -10.718 -8.924 720 HH11 ARG 96 1HH1 ARG 96 -18.476 -13.993 -8.446 721 HH12 ARG 96 2HH1 ARG 96 -20.155 -13.572 -8.394 722 HH21 ARG 96 1HH2 ARG 96 -19.606 -10.150 -8.858 723 HH22 ARG 96 2HH2 ARG 96 -20.797 -11.385 -8.630 724 H LYS 97 H LYS 97 -10.753 -11.874 -6.342 725 HA LYS 97 HA LYS 97 -12.415 -11.213 -4.024 726 HB2 LYS 97 1HB LYS 97 -10.176 -13.245 -3.966 727 HB3 LYS 97 2HB LYS 97 -11.078 -12.674 -2.569 728 HG2 LYS 97 1HG LYS 97 -12.578 -13.884 -4.834 729 HG3 LYS 97 2HG LYS 97 -11.676 -14.941 -3.745 730 HD2 LYS 97 1HD LYS 97 -12.912 -14.176 -1.856 731 HD3 LYS 97 2HD LYS 97 -13.655 -12.878 -2.793 732 HE2 LYS 97 1HE LYS 97 -14.045 -15.805 -3.389 733 HE3 LYS 97 2HE LYS 97 -15.126 -14.867 -2.360 734 HZ1 LYS 97 3HZ LYS 97 -15.837 -15.075 -4.726 735 HZ2 LYS 97 1HZ LYS 97 -14.503 -14.130 -5.163 736 HZ3 LYS 97 2HZ LYS 97 -15.711 -13.481 -4.172 737 H ARG 98 H ARG 98 -11.607 -9.608 -2.790 738 HA ARG 98 HA ARG 98 -8.784 -8.937 -2.901 739 HB2 ARG 98 1HB ARG 98 -10.937 -7.284 -4.132 740 HB3 ARG 98 2HB ARG 98 -9.640 -6.450 -3.286 741 HG2 ARG 98 1HG ARG 98 -8.048 -7.823 -4.731 742 HG3 ARG 98 2HG ARG 98 -9.466 -8.204 -5.709 743 HD2 ARG 98 1HD ARG 98 -8.659 -5.387 -5.030 744 HD3 ARG 98 2HD ARG 98 -8.070 -6.228 -6.464 745 HE ARG 98 HE ARG 98 -10.194 -6.089 -7.400 746 HH11 ARG 98 1HH1 ARG 98 -10.174 -4.860 -4.143 747 HH12 ARG 98 2HH1 ARG 98 -11.724 -4.098 -4.282 748 HH21 ARG 98 1HH2 ARG 98 -12.235 -5.091 -7.596 749 HH22 ARG 98 2HH2 ARG 98 -12.896 -4.231 -6.247 750 H SER 99 H SER 99 -8.484 -6.800 -1.526 751 HA SER 99 HA SER 99 -10.082 -7.170 0.920 752 HB2 SER 99 1HB SER 99 -8.148 -6.473 2.194 753 HB3 SER 99 2HB SER 99 -7.655 -7.756 1.089 754 HG SER 99 HG SER 99 -7.422 -5.272 -0.011 755 HA PRO 100 HA PRO 100 -11.503 -3.022 0.713 756 HB2 PRO 100 1HB PRO 100 -11.698 -2.412 3.351 757 HB3 PRO 100 2HB PRO 100 -12.815 -3.512 2.535 758 HG2 PRO 100 1HG PRO 100 -10.438 -4.147 4.241 759 HG3 PRO 100 2HG PRO 100 -12.042 -4.903 4.230 760 HD2 PRO 100 1HD PRO 100 -9.898 -6.016 3.006 761 HD3 PRO 100 2HD PRO 100 -11.554 -6.207 2.393 762 H THR 101 H THR 101 -10.292 -1.362 0.070 763 HA THR 101 HA THR 101 -7.680 -0.824 0.562 764 HB THR 101 HB THR 101 -8.213 1.611 0.124 765 HG1 THR 101 1HG THR 101 -10.235 2.234 0.206 766 HG21 THR 101 3HG2 THR 101 -9.220 1.088 -2.184 767 HG22 THR 101 1HG2 THR 101 -9.153 -0.600 -1.679 768 HG23 THR 101 2HG2 THR 101 -7.671 0.352 -1.775 769 H GLN 102 H GLN 102 -6.562 0.733 1.888 770 HA GLN 102 HA GLN 102 -7.862 1.152 4.500 771 HB2 GLN 102 1HB GLN 102 -4.979 0.508 3.874 772 HB3 GLN 102 2HB GLN 102 -5.539 1.027 5.458 773 HG2 GLN 102 1HG GLN 102 -6.347 -1.472 3.991 774 HG3 GLN 102 2HG GLN 102 -5.314 -1.364 5.416 775 HE21 GLN 102 1HE2 GLN 102 -8.416 -1.862 4.314 776 HE22 GLN 102 2HE2 GLN 102 -9.267 -1.657 5.803 777 H SER 103 H SER 103 -7.394 3.073 5.621 778 HA SER 103 HA SER 103 -6.968 5.341 3.920 779 HB2 SER 103 1HB SER 103 -7.336 6.662 5.979 780 HB3 SER 103 2HB SER 103 -8.596 5.451 5.742 781 HG SER 103 HG SER 103 -7.591 5.660 7.921 782 H PHE 104 H PHE 104 -5.046 6.084 3.350 783 HA PHE 104 HA PHE 104 -2.881 6.094 5.329 784 HB2 PHE 104 1HB PHE 104 -2.749 4.164 3.598 785 HB3 PHE 104 2HB PHE 104 -2.300 5.428 2.457 786 HD1 PHE 104 1HD PHE 104 -0.198 6.638 2.705 787 HD2 PHE 104 2HD PHE 104 -1.252 3.457 5.329 788 HE1 PHE 104 1HE PHE 104 2.137 6.498 3.467 789 HE2 PHE 104 2HE PHE 104 1.081 3.312 6.096 790 HZ PHE 104 HZ PHE 104 2.779 4.834 5.166 791 H ARG 105 H ARG 105 -1.200 7.656 4.886 792 HA ARG 105 HA ARG 105 -1.790 9.679 2.873 793 HB2 ARG 105 1HB ARG 105 -3.043 10.440 4.824 794 HB3 ARG 105 2HB ARG 105 -1.604 10.301 5.825 795 HG2 ARG 105 1HG ARG 105 -0.521 12.032 4.417 796 HG3 ARG 105 2HG ARG 105 -2.050 12.227 3.557 797 HD2 ARG 105 1HD ARG 105 -1.581 13.871 5.432 798 HD3 ARG 105 2HD ARG 105 -3.141 13.050 5.472 799 HE ARG 105 HE ARG 105 -0.951 12.734 7.340 800 HH11 ARG 105 1HH1 ARG 105 -3.960 11.477 6.122 801 HH12 ARG 105 2HH1 ARG 105 -4.302 10.553 7.548 802 HH21 ARG 105 1HH2 ARG 105 -1.389 11.522 9.222 803 HH22 ARG 105 2HH2 ARG 105 -2.839 10.581 9.311 804 H PHE 106 H PHE 106 -0.010 10.846 2.213 805 HA PHE 106 HA PHE 106 2.563 9.912 3.288 806 HB2 PHE 106 1HB PHE 106 1.919 11.099 0.580 807 HB3 PHE 106 2HB PHE 106 3.513 10.569 1.106 808 HD1 PHE 106 1HD PHE 106 2.987 8.042 2.417 809 HD2 PHE 106 2HD PHE 106 1.255 9.681 -1.109 810 HE1 PHE 106 1HE PHE 106 2.501 5.771 1.605 811 HE2 PHE 106 2HE PHE 106 0.765 7.413 -1.926 812 HZ PHE 106 HZ PHE 106 1.387 5.454 -0.569 813 H LEU 107 H LEU 107 3.978 11.311 4.152 814 HA LEU 107 HA LEU 107 3.162 14.115 4.330 815 HB2 LEU 107 1HB LEU 107 5.364 12.726 5.840 816 HB3 LEU 107 2HB LEU 107 4.634 14.289 6.205 817 HG LEU 107 HG LEU 107 3.091 11.708 6.330 818 HD11 LEU 107 1HD1 LEU 107 4.522 11.199 8.005 819 HD12 LEU 107 2HD1 LEU 107 3.484 12.301 8.908 820 HD13 LEU 107 3HD1 LEU 107 5.014 12.875 8.246 821 HD21 LEU 107 3HD2 LEU 107 1.365 12.989 6.893 822 HD22 LEU 107 1HD2 LEU 107 2.337 14.392 6.449 823 HD23 LEU 107 2HD2 LEU 107 2.315 13.828 8.120 824 HA PRO 108 HA PRO 108 6.266 15.444 1.501 825 HB2 PRO 108 1HB PRO 108 6.480 18.029 2.304 826 HB3 PRO 108 2HB PRO 108 5.098 17.419 1.386 827 HG2 PRO 108 1HG PRO 108 5.354 17.894 4.331 828 HG3 PRO 108 2HG PRO 108 4.001 18.274 3.250 829 HD2 PRO 108 1HD PRO 108 4.013 16.098 4.861 830 HD3 PRO 108 2HD PRO 108 3.206 16.111 3.280 831 H VAL 109 H VAL 109 8.443 15.451 1.443 832 HA VAL 109 HA VAL 109 9.894 15.203 3.930 833 HB VAL 109 HB VAL 109 10.906 15.139 1.083 834 HG11 VAL 109 1HG1 VAL 109 12.582 13.703 2.839 835 HG12 VAL 109 2HG1 VAL 109 12.950 15.182 1.948 836 HG13 VAL 109 3HG1 VAL 109 12.287 15.276 3.580 837 HG21 VAL 109 3HG2 VAL 109 11.066 12.655 1.591 838 HG22 VAL 109 1HG2 VAL 109 10.023 12.977 2.976 839 HG23 VAL 109 2HG2 VAL 109 9.446 13.306 1.342 840 H ILE 110 H ILE 110 9.487 17.571 1.388 841 HA ILE 110 HA ILE 110 11.546 19.253 1.485 842 HB ILE 110 HB ILE 110 8.673 20.128 1.808 843 HG12 ILE 110 1HG1 ILE 110 10.225 20.107 -0.760 844 HG13 ILE 110 2HG1 ILE 110 9.464 18.629 -0.182 845 HG21 ILE 110 1HG2 ILE 110 10.348 21.884 2.351 846 HG22 ILE 110 2HG2 ILE 110 11.000 21.705 0.723 847 HG23 ILE 110 3HG2 ILE 110 9.344 22.266 0.953 848 HD11 ILE 110 3HD1 ILE 110 8.262 20.383 -1.803 849 HD12 ILE 110 1HD1 ILE 110 7.391 19.353 -0.667 850 HD13 ILE 110 2HD1 ILE 110 7.755 21.025 -0.241 851 H CYS 111 H CYS 111 12.729 20.277 2.955 852 HA CYS 111 HA CYS 111 12.568 20.004 5.651 853 HB2 CYS 111 1HB CYS 111 14.435 21.072 4.302 854 HB3 CYS 111 2HB CYS 111 13.511 22.568 4.366 855 HG CYS 111 HG CYS 111 13.785 21.388 7.410 856 H LYS 112 H LYS 112 11.522 20.922 7.341 857 HA LYS 112 HA LYS 112 9.385 22.831 6.678 858 HB2 LYS 112 1HB LYS 112 8.163 21.993 8.548 859 HB3 LYS 112 2HB LYS 112 8.755 20.600 7.653 860 HG2 LYS 112 1HG LYS 112 10.455 21.591 9.859 861 HG3 LYS 112 2HG LYS 112 8.936 20.808 10.301 862 HD2 LYS 112 1HD LYS 112 10.724 19.505 8.296 863 HD3 LYS 112 2HD LYS 112 11.129 19.400 10.011 864 HE2 LYS 112 1HE LYS 112 8.389 18.712 9.001 865 HE3 LYS 112 2HE LYS 112 9.698 17.531 8.980 866 HZ1 LYS 112 3HZ LYS 112 9.706 18.658 11.505 867 HZ2 LYS 112 1HZ LYS 112 9.214 17.096 11.082 868 HZ3 LYS 112 2HZ LYS 112 8.081 18.349 11.150 869 H GLU 113 H GLU 113 8.842 24.445 8.338 870 HA GLU 113 HA GLU 113 11.256 25.361 9.758 871 HB2 GLU 113 1HB GLU 113 10.279 26.726 7.772 872 HB3 GLU 113 2HB GLU 113 9.036 27.198 8.922 873 HG2 GLU 113 1HG GLU 113 10.619 28.246 10.339 874 HG3 GLU 113 2HG GLU 113 11.972 27.558 9.442 875 H GLU 114 H GLU 114 10.973 24.711 11.815 876 HA GLU 114 HA GLU 114 8.688 25.803 13.261 877 HB2 GLU 114 1HB GLU 114 8.210 23.692 14.387 878 HB3 GLU 114 2HB GLU 114 8.001 23.528 12.649 879 HG2 GLU 114 1HG GLU 114 10.151 22.423 12.468 880 HG3 GLU 114 2HG GLU 114 10.423 22.636 14.196 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -7.913 -33.296 0.950 2 HA2 GLY 1 1HA GLY 1 -6.594 -30.819 0.874 3 HA3 GLY 1 2HA GLY 1 -7.375 -31.071 -0.680 4 H SER 2 H SER 2 -7.772 -29.488 2.071 5 HA SER 2 HA SER 2 -10.609 -29.226 1.717 6 HB2 SER 2 1HB SER 2 -11.354 -30.009 3.828 7 HB3 SER 2 2HB SER 2 -10.294 -31.277 3.214 8 HG SER 2 HG SER 2 -9.988 -29.613 5.389 9 H SER 3 H SER 3 -11.413 -27.332 2.584 10 HA SER 3 HA SER 3 -9.978 -25.768 4.493 11 HB2 SER 3 1HB SER 3 -9.349 -23.909 3.054 12 HB3 SER 3 2HB SER 3 -8.582 -25.386 2.472 13 HG SER 3 HG SER 3 -9.688 -23.950 0.882 14 H GLY 4 H GLY 4 -11.505 -24.756 5.606 15 HA2 GLY 4 1HA GLY 4 -14.131 -24.361 4.406 16 HA3 GLY 4 2HA GLY 4 -13.725 -24.186 6.106 17 H SER 5 H SER 5 -12.401 -22.675 3.168 18 HA SER 5 HA SER 5 -13.562 -20.131 3.714 19 HB2 SER 5 1HB SER 5 -10.803 -20.708 4.694 20 HB3 SER 5 2HB SER 5 -11.112 -19.125 3.980 21 HG SER 5 HG SER 5 -11.474 -19.397 6.337 22 H SER 6 H SER 6 -13.029 -18.546 2.118 23 HA SER 6 HA SER 6 -12.212 -19.762 -0.394 24 HB2 SER 6 1HB SER 6 -13.432 -17.073 0.262 25 HB3 SER 6 2HB SER 6 -12.989 -17.574 -1.369 26 HG SER 6 HG SER 6 -15.224 -18.098 -0.062 27 H GLY 7 H GLY 7 -10.106 -19.480 1.413 28 HA2 GLY 7 1HA GLY 7 -8.062 -18.429 1.752 29 HA3 GLY 7 2HA GLY 7 -8.017 -18.569 0.001 30 H LEU 8 H LEU 8 -9.983 -16.491 2.111 31 HA LEU 8 HA LEU 8 -9.241 -14.197 0.482 32 HB2 LEU 8 1HB LEU 8 -11.123 -14.286 2.830 33 HB3 LEU 8 2HB LEU 8 -10.999 -13.025 1.605 34 HG LEU 8 HG LEU 8 -11.741 -15.786 0.756 35 HD11 LEU 8 1HD1 LEU 8 -14.084 -15.349 1.206 36 HD12 LEU 8 2HD1 LEU 8 -13.672 -13.818 1.976 37 HD13 LEU 8 3HD1 LEU 8 -13.158 -15.338 2.707 38 HD21 LEU 8 3HD2 LEU 8 -13.314 -13.930 -0.524 39 HD22 LEU 8 1HD2 LEU 8 -11.814 -14.620 -1.147 40 HD23 LEU 8 2HD2 LEU 8 -11.789 -13.071 -0.302 41 HA PRO 9 HA PRO 9 -6.151 -12.787 3.300 42 HB2 PRO 9 1HB PRO 9 -5.992 -10.220 2.430 43 HB3 PRO 9 2HB PRO 9 -5.316 -11.582 1.530 44 HG2 PRO 9 1HG PRO 9 -7.907 -10.140 1.120 45 HG3 PRO 9 2HG PRO 9 -6.729 -10.690 -0.087 46 HD2 PRO 9 1HD PRO 9 -9.006 -12.052 0.453 47 HD3 PRO 9 2HD PRO 9 -7.503 -12.860 -0.037 48 H GLN 10 H GLN 10 -5.793 -10.901 4.821 49 HA GLN 10 HA GLN 10 -8.195 -9.561 5.740 50 HB2 GLN 10 1HB GLN 10 -8.401 -11.647 6.927 51 HB3 GLN 10 2HB GLN 10 -6.721 -11.575 7.440 52 HG2 GLN 10 1HG GLN 10 -7.283 -9.504 8.716 53 HG3 GLN 10 2HG GLN 10 -8.977 -9.796 8.324 54 HE21 GLN 10 1HE2 GLN 10 -6.847 -10.078 10.709 55 HE22 GLN 10 2HE2 GLN 10 -7.462 -11.466 11.533 56 H VAL 11 H VAL 11 -7.779 -7.840 7.199 57 HA VAL 11 HA VAL 11 -4.944 -7.159 7.577 58 HB VAL 11 HB VAL 11 -7.073 -5.263 6.575 59 HG11 VAL 11 1HG1 VAL 11 -4.513 -4.116 6.397 60 HG12 VAL 11 2HG1 VAL 11 -5.848 -3.626 7.441 61 HG13 VAL 11 3HG1 VAL 11 -4.650 -4.782 8.024 62 HG21 VAL 11 3HG2 VAL 11 -6.021 -6.934 4.955 63 HG22 VAL 11 1HG2 VAL 11 -5.949 -5.228 4.515 64 HG23 VAL 11 2HG2 VAL 11 -4.525 -6.028 5.179 65 H GLU 12 H GLU 12 -4.827 -7.392 9.745 66 HA GLU 12 HA GLU 12 -6.940 -6.513 11.491 67 HB2 GLU 12 1HB GLU 12 -5.176 -8.458 11.784 68 HB3 GLU 12 2HB GLU 12 -4.206 -7.176 12.497 69 HG2 GLU 12 1HG GLU 12 -5.259 -8.070 14.333 70 HG3 GLU 12 2HG GLU 12 -6.308 -6.713 13.930 71 H ALA 13 H ALA 13 -3.532 -5.558 11.050 72 HA ALA 13 HA ALA 13 -4.188 -2.779 11.387 73 HB1 ALA 13 3HB ALA 13 -2.429 -4.050 13.478 74 HB2 ALA 13 1HB ALA 13 -2.917 -2.359 13.378 75 HB3 ALA 13 2HB ALA 13 -4.116 -3.604 13.730 76 H TYR 14 H TYR 14 -2.687 -1.475 10.459 77 HA TYR 14 HA TYR 14 -0.270 -2.793 9.414 78 HB2 TYR 14 1HB TYR 14 -0.322 -0.993 7.663 79 HB3 TYR 14 2HB TYR 14 -1.689 -2.100 7.610 80 HD1 TYR 14 1HD TYR 14 -0.660 1.262 8.819 81 HD2 TYR 14 2HD TYR 14 -3.882 -1.283 7.704 82 HE1 TYR 14 1HE TYR 14 -2.202 3.174 8.937 83 HE2 TYR 14 2HE TYR 14 -5.433 0.623 7.817 84 HH TYR 14 HH TYR 14 -4.579 3.607 9.228 85 H SER 15 H SER 15 1.625 -1.369 9.112 86 HA SER 15 HA SER 15 1.825 1.085 10.547 87 HB2 SER 15 1HB SER 15 1.853 -0.220 12.534 88 HB3 SER 15 2HB SER 15 2.919 -1.427 11.815 89 HG SER 15 HG SER 15 4.543 0.224 11.745 90 HA PRO 16 HA PRO 16 3.475 2.358 11.381 91 HB2 PRO 16 1HB PRO 16 4.242 4.642 10.130 92 HB3 PRO 16 2HB PRO 16 5.366 3.613 11.026 93 HG2 PRO 16 1HG PRO 16 4.873 3.762 8.077 94 HG3 PRO 16 2HG PRO 16 6.412 3.645 8.949 95 HD2 PRO 16 1HD PRO 16 5.235 1.506 7.779 96 HD3 PRO 16 2HD PRO 16 6.210 1.370 9.256 97 H SER 17 H SER 17 1.673 3.649 11.603 98 HA SER 17 HA SER 17 -0.510 3.306 10.010 99 HB2 SER 17 1HB SER 17 0.182 5.701 11.724 100 HB3 SER 17 2HB SER 17 -1.416 5.414 11.035 101 HG SER 17 HG SER 17 -0.280 4.330 13.235 102 H ALA 18 H ALA 18 2.041 5.682 9.632 103 HA ALA 18 HA ALA 18 1.003 6.301 6.964 104 HB1 ALA 18 3HB ALA 18 1.116 8.150 9.202 105 HB2 ALA 18 1HB ALA 18 2.004 8.734 7.794 106 HB3 ALA 18 2HB ALA 18 0.300 8.303 7.646 107 H CYS 19 H CYS 19 2.741 7.879 5.888 108 HA CYS 19 HA CYS 19 5.460 7.368 6.658 109 HB2 CYS 19 1HB CYS 19 4.450 5.301 5.322 110 HB3 CYS 19 2HB CYS 19 4.831 6.320 3.939 111 HG CYS 19 HG CYS 19 7.450 6.145 4.052 112 H SER 20 H SER 20 6.872 7.983 4.511 113 HA SER 20 HA SER 20 5.918 10.670 3.833 114 HB2 SER 20 1HB SER 20 8.298 11.079 3.179 115 HB3 SER 20 2HB SER 20 8.103 10.623 4.872 116 HG SER 20 HG SER 20 8.752 8.525 4.327 117 H VAL 21 H VAL 21 6.167 11.486 1.676 118 HA VAL 21 HA VAL 21 5.109 9.868 -0.312 119 HB VAL 21 HB VAL 21 5.937 11.622 -1.922 120 HG11 VAL 21 1HG1 VAL 21 4.250 13.069 -1.349 121 HG12 VAL 21 2HG1 VAL 21 3.804 11.656 -0.392 122 HG13 VAL 21 3HG1 VAL 21 4.636 13.012 0.370 123 HG21 VAL 21 3HG2 VAL 21 6.711 13.369 0.325 124 HG22 VAL 21 1HG2 VAL 21 7.867 12.111 -0.111 125 HG23 VAL 21 2HG2 VAL 21 7.344 13.285 -1.319 126 H ARG 22 H ARG 22 8.411 10.298 0.679 127 HA ARG 22 HA ARG 22 9.631 9.266 -1.676 128 HB2 ARG 22 1HB ARG 22 11.656 9.087 -0.296 129 HB3 ARG 22 2HB ARG 22 10.880 10.654 -0.107 130 HG2 ARG 22 1HG ARG 22 10.163 10.185 2.046 131 HG3 ARG 22 2HG ARG 22 10.312 8.441 1.820 132 HD2 ARG 22 1HD ARG 22 12.730 10.198 1.678 133 HD3 ARG 22 2HD ARG 22 12.078 9.708 3.241 134 HE ARG 22 HE ARG 22 12.693 7.501 2.788 135 HH11 ARG 22 1HH1 ARG 22 13.426 9.617 0.123 136 HH12 ARG 22 2HH1 ARG 22 14.475 8.482 -0.659 137 HH21 ARG 22 1HH2 ARG 22 14.072 5.998 1.768 138 HH22 ARG 22 2HH2 ARG 22 14.841 6.424 0.276 139 H GLY 23 H GLY 23 8.444 7.842 1.312 140 HA2 GLY 23 1HA GLY 23 7.830 5.643 1.706 141 HA3 GLY 23 2HA GLY 23 8.367 5.238 0.083 142 H GLY 24 H GLY 24 10.165 4.065 -0.108 143 HA2 GLY 24 1HA GLY 24 11.848 2.674 0.705 144 HA3 GLY 24 2HA GLY 24 12.582 4.242 1.007 145 H GLU 25 H GLU 25 9.834 2.685 2.625 146 HA GLU 25 HA GLU 25 11.428 2.631 5.100 147 HB2 GLU 25 1HB GLU 25 8.728 3.794 4.599 148 HB3 GLU 25 2HB GLU 25 9.028 3.034 6.155 149 HG2 GLU 25 1HG GLU 25 11.148 4.541 6.176 150 HG3 GLU 25 2HG GLU 25 10.264 5.475 4.971 151 H GLU 26 H GLU 26 10.266 1.246 6.816 152 HA GLU 26 HA GLU 26 9.652 -1.310 5.551 153 HB2 GLU 26 1HB GLU 26 11.379 -1.145 7.350 154 HB3 GLU 26 2HB GLU 26 10.103 -0.704 8.476 155 HG2 GLU 26 1HG GLU 26 9.028 -2.847 8.144 156 HG3 GLU 26 2HG GLU 26 10.242 -3.291 6.946 157 H LEU 27 H LEU 27 7.554 -1.429 4.990 158 HA LEU 27 HA LEU 27 5.520 -0.550 6.911 159 HB2 LEU 27 1HB LEU 27 5.271 0.350 4.691 160 HB3 LEU 27 2HB LEU 27 5.342 -1.265 3.989 161 HG LEU 27 HG LEU 27 3.193 -1.791 5.121 162 HD11 LEU 27 1HD1 LEU 27 3.068 1.160 5.705 163 HD12 LEU 27 2HD1 LEU 27 3.457 -0.067 6.910 164 HD13 LEU 27 3HD1 LEU 27 1.878 -0.073 6.123 165 HD21 LEU 27 3HD2 LEU 27 1.919 0.070 3.695 166 HD22 LEU 27 1HD2 LEU 27 2.744 -1.301 2.953 167 HD23 LEU 27 2HD2 LEU 27 3.539 0.272 3.025 168 H VAL 28 H VAL 28 4.990 -2.100 8.311 169 HA VAL 28 HA VAL 28 4.849 -4.881 7.396 170 HB VAL 28 HB VAL 28 4.765 -3.759 10.200 171 HG11 VAL 28 1HG1 VAL 28 5.112 -6.644 9.442 172 HG12 VAL 28 2HG1 VAL 28 4.728 -5.955 11.021 173 HG13 VAL 28 3HG1 VAL 28 3.522 -5.940 9.734 174 HG21 VAL 28 3HG2 VAL 28 6.959 -3.470 9.397 175 HG22 VAL 28 1HG2 VAL 28 7.002 -4.968 10.326 176 HG23 VAL 28 2HG2 VAL 28 6.947 -5.024 8.565 177 H LEU 29 H LEU 29 2.952 -5.741 6.897 178 HA LEU 29 HA LEU 29 0.507 -4.445 7.886 179 HB2 LEU 29 1HB LEU 29 0.820 -6.359 5.580 180 HB3 LEU 29 2HB LEU 29 -0.635 -5.465 6.017 181 HG LEU 29 HG LEU 29 1.843 -3.957 5.312 182 HD11 LEU 29 1HD1 LEU 29 1.534 -4.147 3.020 183 HD12 LEU 29 2HD1 LEU 29 -0.087 -4.817 3.192 184 HD13 LEU 29 3HD1 LEU 29 1.320 -5.803 3.589 185 HD21 LEU 29 3HD2 LEU 29 0.456 -2.215 5.274 186 HD22 LEU 29 1HD2 LEU 29 -0.738 -3.271 6.028 187 HD23 LEU 29 2HD2 LEU 29 -0.718 -3.073 4.275 188 H THR 30 H THR 30 -0.628 -5.435 9.407 189 HA THR 30 HA THR 30 -0.086 -8.256 9.976 190 HB THR 30 HB THR 30 -1.651 -6.289 11.654 191 HG1 THR 30 1HG THR 30 0.957 -6.361 11.195 192 HG21 THR 30 3HG2 THR 30 -2.244 -8.453 12.341 193 HG22 THR 30 1HG2 THR 30 -0.959 -7.984 13.453 194 HG23 THR 30 2HG2 THR 30 -0.609 -9.071 12.109 195 H GLY 31 H GLY 31 -1.608 -9.832 9.843 196 HA2 GLY 31 1HA GLY 31 -4.385 -9.464 9.839 197 HA3 GLY 31 2HA GLY 31 -3.841 -9.459 8.168 198 H SER 32 H SER 32 -4.347 -11.362 7.310 199 HA SER 32 HA SER 32 -3.094 -13.747 8.145 200 HB2 SER 32 1HB SER 32 -5.065 -13.352 9.844 201 HB3 SER 32 2HB SER 32 -6.058 -13.966 8.523 202 HG SER 32 HG SER 32 -3.873 -15.510 8.876 203 H ASN 33 H ASN 33 -4.083 -15.696 6.942 204 HA ASN 33 HA ASN 33 -4.489 -16.654 4.917 205 HB2 ASN 33 1HB ASN 33 -6.604 -14.577 5.204 206 HB3 ASN 33 2HB ASN 33 -6.420 -15.337 3.625 207 HD21 ASN 33 1HD2 ASN 33 -7.964 -16.784 3.417 208 HD22 ASN 33 2HD2 ASN 33 -8.416 -17.965 4.595 209 H PHE 34 H PHE 34 -2.278 -15.031 4.904 210 HA PHE 34 HA PHE 34 -2.421 -13.379 2.505 211 HB2 PHE 34 1HB PHE 34 -0.278 -13.826 4.579 212 HB3 PHE 34 2HB PHE 34 0.021 -12.922 3.098 213 HD1 PHE 34 1HD PHE 34 -2.444 -11.398 2.778 214 HD2 PHE 34 2HD PHE 34 -0.211 -12.280 6.293 215 HE1 PHE 34 1HE PHE 34 -3.322 -9.361 3.844 216 HE2 PHE 34 2HE PHE 34 -1.086 -10.246 7.364 217 HZ PHE 34 HZ PHE 34 -2.644 -8.783 6.140 218 H LEU 35 H LEU 35 -0.663 -13.603 0.876 219 HA LEU 35 HA LEU 35 0.317 -16.346 0.572 220 HB2 LEU 35 1HB LEU 35 -1.266 -14.812 -1.480 221 HB3 LEU 35 2HB LEU 35 -0.337 -16.266 -1.841 222 HG LEU 35 HG LEU 35 -2.420 -16.397 0.286 223 HD11 LEU 35 1HD1 LEU 35 -4.211 -16.565 -1.166 224 HD12 LEU 35 2HD1 LEU 35 -3.181 -16.822 -2.574 225 HD13 LEU 35 3HD1 LEU 35 -3.298 -15.219 -1.848 226 HD21 LEU 35 3HD2 LEU 35 -2.007 -18.571 0.114 227 HD22 LEU 35 1HD2 LEU 35 -0.711 -18.194 -1.022 228 HD23 LEU 35 2HD2 LEU 35 -2.333 -18.543 -1.620 229 HA PRO 36 HA PRO 36 4.041 -14.430 -0.752 230 HB2 PRO 36 1HB PRO 36 5.032 -16.340 -2.408 231 HB3 PRO 36 2HB PRO 36 5.001 -16.516 -0.649 232 HG2 PRO 36 1HG PRO 36 3.121 -17.626 -2.697 233 HG3 PRO 36 2HG PRO 36 3.811 -18.416 -1.267 234 HD2 PRO 36 1HD PRO 36 1.293 -17.420 -1.308 235 HD3 PRO 36 2HD PRO 36 2.288 -17.441 0.162 236 H ASP 37 H ASP 37 1.417 -14.759 -2.729 237 HA ASP 37 HA ASP 37 2.805 -13.561 -5.035 238 HB2 ASP 37 1HB ASP 37 0.585 -14.238 -6.223 239 HB3 ASP 37 2HB ASP 37 1.799 -15.472 -5.897 240 H SER 38 H SER 38 0.380 -13.132 -2.621 241 HA SER 38 HA SER 38 -1.422 -11.369 -3.473 242 HB2 SER 38 1HB SER 38 0.284 -10.923 -1.011 243 HB3 SER 38 2HB SER 38 -1.302 -10.211 -1.306 244 HG SER 38 HG SER 38 -2.002 -12.507 -1.514 245 H LYS 39 H LYS 39 -1.605 -9.241 -4.073 246 HA LYS 39 HA LYS 39 0.927 -7.820 -4.583 247 HB2 LYS 39 1HB LYS 39 -0.609 -8.720 -6.541 248 HB3 LYS 39 2HB LYS 39 -1.518 -7.253 -6.200 249 HG2 LYS 39 1HG LYS 39 0.396 -5.887 -6.663 250 HG3 LYS 39 2HG LYS 39 1.426 -7.312 -6.823 251 HD2 LYS 39 1HD LYS 39 0.583 -7.857 -8.883 252 HD3 LYS 39 2HD LYS 39 -0.983 -7.109 -8.560 253 HE2 LYS 39 1HE LYS 39 0.121 -4.885 -8.700 254 HE3 LYS 39 2HE LYS 39 1.613 -5.698 -9.170 255 HZ1 LYS 39 3HZ LYS 39 -0.524 -4.935 -10.802 256 HZ2 LYS 39 1HZ LYS 39 -0.455 -6.626 -10.814 257 HZ3 LYS 39 2HZ LYS 39 0.905 -5.721 -11.251 258 H VAL 40 H VAL 40 1.047 -5.655 -4.103 259 HA VAL 40 HA VAL 40 -1.279 -4.510 -2.698 260 HB VAL 40 HB VAL 40 1.648 -4.052 -2.106 261 HG11 VAL 40 1HG1 VAL 40 -0.570 -2.376 -1.641 262 HG12 VAL 40 2HG1 VAL 40 -0.121 -3.077 -0.085 263 HG13 VAL 40 3HG1 VAL 40 1.075 -2.194 -1.034 264 HG21 VAL 40 3HG2 VAL 40 0.044 -6.155 -1.327 265 HG22 VAL 40 1HG2 VAL 40 1.521 -5.622 -0.524 266 HG23 VAL 40 2HG2 VAL 40 -0.047 -5.045 0.040 267 H VAL 41 H VAL 41 -2.165 -3.141 -4.133 268 HA VAL 41 HA VAL 41 -0.386 -1.298 -5.585 269 HB VAL 41 HB VAL 41 -2.170 -0.961 -7.180 270 HG11 VAL 41 1HG1 VAL 41 -1.863 -2.904 -8.322 271 HG12 VAL 41 2HG1 VAL 41 -0.654 -3.144 -7.060 272 HG13 VAL 41 3HG1 VAL 41 -2.234 -3.914 -6.926 273 HG21 VAL 41 3HG2 VAL 41 -4.062 -1.123 -5.637 274 HG22 VAL 41 1HG2 VAL 41 -4.285 -2.174 -7.036 275 HG23 VAL 41 2HG2 VAL 41 -3.795 -2.860 -5.486 276 H PHE 42 H PHE 42 -0.853 0.915 -5.641 277 HA PHE 42 HA PHE 42 -2.550 1.835 -3.423 278 HB2 PHE 42 1HB PHE 42 -0.089 2.995 -4.710 279 HB3 PHE 42 2HB PHE 42 -1.160 3.985 -3.723 280 HD1 PHE 42 2HD PHE 42 0.577 0.686 -3.549 281 HD2 PHE 42 1HD PHE 42 -0.626 4.223 -1.510 282 HE1 PHE 42 2HE PHE 42 1.733 -0.094 -1.522 283 HE2 PHE 42 1HE PHE 42 0.529 3.449 0.520 284 HZ PHE 42 HZ PHE 42 1.710 1.288 0.517 285 H ILE 43 H ILE 43 -3.889 3.667 -3.708 286 HA ILE 43 HA ILE 43 -4.499 4.309 -6.519 287 HB ILE 43 HB ILE 43 -6.868 4.523 -5.908 288 HG12 ILE 43 1HG1 ILE 43 -6.104 3.266 -3.268 289 HG13 ILE 43 2HG1 ILE 43 -6.413 4.987 -3.472 290 HG21 ILE 43 1HG2 ILE 43 -7.218 2.378 -6.428 291 HG22 ILE 43 2HG2 ILE 43 -5.462 2.219 -6.389 292 HG23 ILE 43 3HG2 ILE 43 -6.417 1.801 -4.966 293 HD11 ILE 43 3HD1 ILE 43 -8.655 4.698 -3.692 294 HD12 ILE 43 1HD1 ILE 43 -8.494 3.086 -4.388 295 HD13 ILE 43 2HD1 ILE 43 -8.280 3.323 -2.653 296 H GLU 44 H GLU 44 -5.135 6.420 -6.982 297 HA GLU 44 HA GLU 44 -4.917 8.358 -4.780 298 HB2 GLU 44 1HB GLU 44 -2.805 8.467 -5.897 299 HB3 GLU 44 2HB GLU 44 -3.573 8.483 -7.478 300 HG2 GLU 44 1HG GLU 44 -4.664 10.682 -6.640 301 HG3 GLU 44 2HG GLU 44 -3.353 10.670 -5.462 302 H ARG 45 H ARG 45 -6.744 9.459 -4.618 303 HA ARG 45 HA ARG 45 -8.630 9.552 -6.797 304 HB2 ARG 45 1HB ARG 45 -8.647 10.486 -3.944 305 HB3 ARG 45 2HB ARG 45 -9.896 11.019 -5.062 306 HG2 ARG 45 1HG ARG 45 -10.770 8.885 -5.303 307 HG3 ARG 45 2HG ARG 45 -9.291 8.109 -4.734 308 HD2 ARG 45 1HD ARG 45 -9.752 9.197 -2.492 309 HD3 ARG 45 2HD ARG 45 -11.348 9.600 -3.124 310 HE ARG 45 HE ARG 45 -10.387 6.984 -2.343 311 HH11 ARG 45 1HH1 ARG 45 -12.797 8.812 -4.065 312 HH12 ARG 45 2HH1 ARG 45 -13.978 7.545 -4.020 313 HH21 ARG 45 1HH2 ARG 45 -11.933 5.309 -2.276 314 HH22 ARG 45 2HH2 ARG 45 -13.486 5.553 -3.001 315 H GLY 46 H GLY 46 -8.935 11.166 -8.202 316 HA2 GLY 46 1HA GLY 46 -7.337 13.611 -7.823 317 HA3 GLY 46 2HA GLY 46 -7.895 12.993 -9.370 318 HA PRO 47 HA PRO 47 -10.764 16.328 -7.592 319 HB2 PRO 47 1HB PRO 47 -10.147 18.309 -9.344 320 HB3 PRO 47 2HB PRO 47 -9.305 18.091 -7.805 321 HG2 PRO 47 1HG PRO 47 -8.477 17.244 -10.554 322 HG3 PRO 47 2HG PRO 47 -7.504 17.987 -9.272 323 HD2 PRO 47 1HD PRO 47 -7.450 15.329 -9.787 324 HD3 PRO 47 2HD PRO 47 -7.222 15.990 -8.155 325 H ASP 48 H ASP 48 -10.323 14.442 -10.253 326 HA ASP 48 HA ASP 48 -12.370 15.621 -11.932 327 HB2 ASP 48 1HB ASP 48 -10.634 13.172 -12.146 328 HB3 ASP 48 2HB ASP 48 -11.986 13.430 -13.245 329 H GLY 49 H GLY 49 -11.976 12.750 -9.887 330 HA2 GLY 49 1HA GLY 49 -14.220 12.426 -8.626 331 HA3 GLY 49 2HA GLY 49 -14.828 12.138 -10.249 332 H LYS 50 H LYS 50 -12.392 10.787 -11.128 333 HA LYS 50 HA LYS 50 -12.772 8.248 -9.682 334 HB2 LYS 50 1HB LYS 50 -12.088 7.153 -11.815 335 HB3 LYS 50 2HB LYS 50 -13.587 8.064 -11.937 336 HG2 LYS 50 1HG LYS 50 -12.595 9.762 -13.188 337 HG3 LYS 50 2HG LYS 50 -10.963 9.281 -12.717 338 HD2 LYS 50 1HD LYS 50 -11.163 7.244 -14.031 339 HD3 LYS 50 2HD LYS 50 -12.824 7.663 -14.459 340 HE2 LYS 50 1HE LYS 50 -11.994 9.693 -15.580 341 HE3 LYS 50 2HE LYS 50 -10.342 9.218 -15.188 342 HZ1 LYS 50 3HZ LYS 50 -12.162 8.132 -17.191 343 HZ2 LYS 50 1HZ LYS 50 -11.149 7.026 -16.406 344 HZ3 LYS 50 2HZ LYS 50 -10.483 8.333 -17.249 345 H LEU 51 H LEU 51 -11.003 7.042 -9.086 346 HA LEU 51 HA LEU 51 -8.476 8.488 -9.009 347 HB2 LEU 51 1HB LEU 51 -7.799 6.591 -7.498 348 HB3 LEU 51 2HB LEU 51 -9.111 7.615 -6.919 349 HG LEU 51 HG LEU 51 -10.724 5.871 -7.634 350 HD11 LEU 51 1HD1 LEU 51 -9.304 3.565 -7.810 351 HD12 LEU 51 2HD1 LEU 51 -8.261 4.681 -8.690 352 HD13 LEU 51 3HD1 LEU 51 -9.938 4.461 -9.190 353 HD21 LEU 51 3HD2 LEU 51 -10.492 5.512 -5.436 354 HD22 LEU 51 1HD2 LEU 51 -8.734 5.630 -5.504 355 HD23 LEU 51 2HD2 LEU 51 -9.532 4.112 -5.917 356 H GLN 52 H GLN 52 -6.571 7.774 -9.894 357 HA GLN 52 HA GLN 52 -6.459 5.221 -11.261 358 HB2 GLN 52 1HB GLN 52 -6.351 7.853 -12.727 359 HB3 GLN 52 2HB GLN 52 -5.680 6.371 -13.394 360 HG2 GLN 52 1HG GLN 52 -8.077 5.435 -12.870 361 HG3 GLN 52 2HG GLN 52 -8.515 7.141 -12.952 362 HE21 GLN 52 1HE2 GLN 52 -8.704 8.098 -14.889 363 HE22 GLN 52 2HE2 GLN 52 -8.391 7.325 -16.402 364 H TRP 53 H TRP 53 -4.667 4.493 -10.291 365 HA TRP 53 HA TRP 53 -2.171 5.874 -10.808 366 HB2 TRP 53 1HB TRP 53 -3.068 6.760 -8.605 367 HB3 TRP 53 2HB TRP 53 -2.854 5.134 -7.962 368 HD1 TRP 53 HD TRP 53 -0.236 6.554 -10.343 369 HE1 TRP 53 1HE TRP 53 1.947 6.945 -9.038 370 HE3 TRP 53 3HE TRP 53 -1.950 5.665 -5.609 371 HZ2 TRP 53 2HZ TRP 53 2.827 6.884 -6.356 372 HZ3 TRP 53 3HZ TRP 53 -0.373 5.852 -3.729 373 HH2 TRP 53 HH TRP 53 1.966 6.448 -4.097 374 H GLU 54 H GLU 54 -0.983 4.326 -11.700 375 HA GLU 54 HA GLU 54 -1.255 1.573 -10.717 376 HB2 GLU 54 1HB GLU 54 -1.629 1.905 -13.120 377 HB3 GLU 54 2HB GLU 54 -0.026 2.609 -13.277 378 HG2 GLU 54 1HG GLU 54 0.908 0.431 -12.470 379 HG3 GLU 54 2HG GLU 54 -0.720 -0.234 -12.596 380 H GLU 55 H GLU 55 0.099 1.424 -8.995 381 HA GLU 55 HA GLU 55 2.954 1.663 -9.569 382 HB2 GLU 55 1HB GLU 55 1.451 3.206 -7.514 383 HB3 GLU 55 2HB GLU 55 3.042 2.601 -7.077 384 HG2 GLU 55 1HG GLU 55 2.367 4.437 -9.360 385 HG3 GLU 55 2HG GLU 55 3.247 4.843 -7.888 386 H GLU 56 H GLU 56 3.857 -0.218 -9.094 387 HA GLU 56 HA GLU 56 2.583 -1.951 -7.104 388 HB2 GLU 56 1HB GLU 56 2.910 -3.008 -9.237 389 HB3 GLU 56 2HB GLU 56 4.597 -2.515 -9.282 390 HG2 GLU 56 1HG GLU 56 4.139 -4.929 -8.714 391 HG3 GLU 56 2HG GLU 56 5.206 -4.052 -7.619 392 H ALA 57 H ALA 57 3.609 -2.653 -5.291 393 HA ALA 57 HA ALA 57 6.110 -1.290 -4.612 394 HB1 ALA 57 3HB ALA 57 4.986 -2.795 -2.439 395 HB2 ALA 57 1HB ALA 57 5.246 -1.056 -2.582 396 HB3 ALA 57 2HB ALA 57 3.753 -1.777 -3.183 397 H THR 58 H THR 58 7.921 -2.377 -3.851 398 HA THR 58 HA THR 58 8.395 -4.942 -4.973 399 HB THR 58 HB THR 58 10.068 -3.466 -2.931 400 HG1 THR 58 1HG THR 58 9.743 -2.238 -4.840 401 HG21 THR 58 3HG2 THR 58 10.963 -5.504 -4.960 402 HG22 THR 58 1HG2 THR 58 10.525 -5.930 -3.307 403 HG23 THR 58 2HG2 THR 58 11.880 -4.841 -3.608 404 H VAL 59 H VAL 59 6.971 -6.433 -4.096 405 HA VAL 59 HA VAL 59 6.678 -6.781 -1.266 406 HB VAL 59 HB VAL 59 5.815 -8.490 -3.598 407 HG11 VAL 59 1HG1 VAL 59 5.985 -10.078 -1.925 408 HG12 VAL 59 2HG1 VAL 59 5.571 -8.930 -0.650 409 HG13 VAL 59 3HG1 VAL 59 4.321 -9.523 -1.744 410 HG21 VAL 59 3HG2 VAL 59 4.714 -6.271 -3.271 411 HG22 VAL 59 1HG2 VAL 59 3.620 -7.649 -3.158 412 HG23 VAL 59 2HG2 VAL 59 4.167 -6.835 -1.693 413 H ASN 60 H ASN 60 7.503 -8.396 0.038 414 HA ASN 60 HA ASN 60 9.662 -10.028 -1.125 415 HB2 ASN 60 1HB ASN 60 10.362 -8.030 0.352 416 HB3 ASN 60 2HB ASN 60 9.744 -8.983 1.697 417 HD21 ASN 60 1HD2 ASN 60 10.980 -10.542 2.540 418 HD22 ASN 60 2HD2 ASN 60 12.519 -11.025 1.920 419 H ARG 61 H ARG 61 8.181 -11.771 -1.318 420 HA ARG 61 HA ARG 61 6.528 -12.802 0.637 421 HB2 ARG 61 1HB ARG 61 6.719 -14.955 -0.530 422 HB3 ARG 61 2HB ARG 61 6.529 -13.622 -1.661 423 HG2 ARG 61 1HG ARG 61 9.226 -14.727 -0.958 424 HG3 ARG 61 2HG ARG 61 8.230 -15.421 -2.238 425 HD2 ARG 61 1HD ARG 61 8.088 -12.927 -3.043 426 HD3 ARG 61 2HD ARG 61 9.566 -12.759 -2.096 427 HE ARG 61 HE ARG 61 10.142 -14.887 -3.600 428 HH11 ARG 61 1HH1 ARG 61 8.748 -11.806 -4.429 429 HH12 ARG 61 2HH1 ARG 61 9.400 -11.797 -6.035 430 HH21 ARG 61 1HH2 ARG 61 11.005 -14.886 -5.711 431 HH22 ARG 61 2HH2 ARG 61 10.683 -13.549 -6.763 432 H LEU 62 H LEU 62 9.996 -13.223 0.221 433 HA LEU 62 HA LEU 62 10.589 -15.318 1.850 434 HB2 LEU 62 1HB LEU 62 11.958 -12.730 1.309 435 HB3 LEU 62 2HB LEU 62 12.604 -13.779 2.570 436 HG LEU 62 HG LEU 62 12.540 -15.590 0.677 437 HD11 LEU 62 1HD1 LEU 62 12.050 -14.907 -1.372 438 HD12 LEU 62 2HD1 LEU 62 13.306 -13.672 -1.291 439 HD13 LEU 62 3HD1 LEU 62 11.673 -13.307 -0.733 440 HD21 LEU 62 3HD2 LEU 62 14.670 -15.305 1.314 441 HD22 LEU 62 1HD2 LEU 62 14.501 -13.553 1.440 442 HD23 LEU 62 2HD2 LEU 62 14.802 -14.300 -0.130 443 H GLN 63 H GLN 63 9.826 -12.016 2.870 444 HA GLN 63 HA GLN 63 10.138 -12.656 5.666 445 HB2 GLN 63 1HB GLN 63 9.450 -10.227 4.087 446 HB3 GLN 63 2HB GLN 63 8.928 -10.285 5.766 447 HG2 GLN 63 1HG GLN 63 11.767 -10.852 5.007 448 HG3 GLN 63 2HG GLN 63 11.184 -9.202 5.217 449 HE21 GLN 63 1HE2 GLN 63 10.279 -8.633 7.290 450 HE22 GLN 63 2HE2 GLN 63 10.847 -9.427 8.715 451 H SER 64 H SER 64 7.467 -12.095 3.419 452 HA SER 64 HA SER 64 5.415 -12.293 5.376 453 HB2 SER 64 1HB SER 64 4.900 -11.161 3.331 454 HB3 SER 64 2HB SER 64 5.387 -12.553 2.364 455 HG SER 64 HG SER 64 3.487 -13.269 4.126 456 H ASN 65 H ASN 65 4.084 -14.005 5.912 457 HA ASN 65 HA ASN 65 4.811 -16.649 4.859 458 HB2 ASN 65 1HB ASN 65 4.370 -17.430 7.319 459 HB3 ASN 65 2HB ASN 65 5.945 -16.775 6.879 460 HD21 ASN 65 1HD2 ASN 65 3.529 -16.661 9.103 461 HD22 ASN 65 2HD2 ASN 65 3.855 -15.116 9.804 462 H GLU 66 H GLU 66 2.594 -15.564 7.416 463 HA GLU 66 HA GLU 66 0.328 -16.392 5.743 464 HB2 GLU 66 1HB GLU 66 0.700 -18.287 7.150 465 HB3 GLU 66 2HB GLU 66 0.898 -17.271 8.571 466 HG2 GLU 66 1HG GLU 66 -1.222 -18.017 8.907 467 HG3 GLU 66 2HG GLU 66 -1.559 -16.545 7.996 468 H VAL 67 H VAL 67 1.103 -14.984 8.929 469 HA VAL 67 HA VAL 67 -1.014 -12.988 8.455 470 HB VAL 67 HB VAL 67 -1.184 -12.727 10.877 471 HG11 VAL 67 1HG1 VAL 67 -1.948 -15.006 9.384 472 HG12 VAL 67 2HG1 VAL 67 -1.502 -15.554 11.002 473 HG13 VAL 67 3HG1 VAL 67 -2.737 -14.310 10.799 474 HG21 VAL 67 3HG2 VAL 67 0.411 -15.122 11.492 475 HG22 VAL 67 1HG2 VAL 67 1.336 -13.700 11.007 476 HG23 VAL 67 2HG2 VAL 67 0.239 -13.611 12.385 477 H THR 68 H THR 68 1.631 -12.717 7.420 478 HA THR 68 HA THR 68 2.303 -10.158 8.594 479 HB THR 68 HB THR 68 4.377 -12.357 8.487 480 HG1 THR 68 1HG THR 68 3.176 -10.994 10.687 481 HG21 THR 68 3HG2 THR 68 5.904 -10.738 8.433 482 HG22 THR 68 1HG2 THR 68 5.252 -10.085 9.935 483 HG23 THR 68 2HG2 THR 68 4.633 -9.517 8.384 484 H LEU 69 H LEU 69 2.995 -8.763 7.081 485 HA LEU 69 HA LEU 69 4.013 -9.835 4.541 486 HB2 LEU 69 1HB LEU 69 1.677 -8.072 5.013 487 HB3 LEU 69 2HB LEU 69 2.699 -7.703 3.626 488 HG LEU 69 HG LEU 69 1.473 -10.416 4.068 489 HD11 LEU 69 1HD1 LEU 69 0.287 -7.929 2.981 490 HD12 LEU 69 2HD1 LEU 69 -0.478 -9.287 3.807 491 HD13 LEU 69 3HD1 LEU 69 -0.027 -9.430 2.108 492 HD21 LEU 69 3HD2 LEU 69 3.136 -10.691 2.506 493 HD22 LEU 69 1HD2 LEU 69 2.964 -9.054 1.873 494 HD23 LEU 69 2HD2 LEU 69 1.766 -10.285 1.472 495 H THR 70 H THR 70 5.818 -8.879 3.858 496 HA THR 70 HA THR 70 6.537 -6.270 5.028 497 HB THR 70 HB THR 70 8.407 -8.534 4.302 498 HG1 THR 70 1HG THR 70 7.456 -8.983 6.259 499 HG21 THR 70 3HG2 THR 70 9.579 -6.455 5.895 500 HG22 THR 70 1HG2 THR 70 8.900 -5.764 4.422 501 HG23 THR 70 2HG2 THR 70 10.084 -7.067 4.320 502 H LEU 71 H LEU 71 6.596 -4.707 3.565 503 HA LEU 71 HA LEU 71 7.741 -5.246 0.931 504 HB2 LEU 71 1HB LEU 71 5.952 -4.280 -0.270 505 HB3 LEU 71 2HB LEU 71 5.246 -5.472 0.819 506 HG LEU 71 HG LEU 71 5.302 -2.532 1.456 507 HD11 LEU 71 1HD1 LEU 71 2.847 -3.853 0.428 508 HD12 LEU 71 2HD1 LEU 71 4.067 -3.328 -0.732 509 HD13 LEU 71 3HD1 LEU 71 3.333 -2.159 0.366 510 HD21 LEU 71 3HD2 LEU 71 4.907 -3.845 3.385 511 HD22 LEU 71 1HD2 LEU 71 3.802 -4.913 2.519 512 HD23 LEU 71 2HD2 LEU 71 3.331 -3.248 2.862 513 H THR 72 H THR 72 8.016 -3.130 -0.309 514 HA THR 72 HA THR 72 8.955 -1.082 1.584 515 HB THR 72 HB THR 72 9.825 -1.457 -1.286 516 HG1 THR 72 1HG THR 72 10.407 -3.219 0.174 517 HG21 THR 72 3HG2 THR 72 11.726 -0.035 -0.577 518 HG22 THR 72 1HG2 THR 72 10.944 0.187 0.987 519 HG23 THR 72 2HG2 THR 72 10.176 0.798 -0.478 520 H VAL 73 H VAL 73 7.530 0.520 1.788 521 HA VAL 73 HA VAL 73 5.399 1.202 0.271 522 HB VAL 73 HB VAL 73 7.237 3.160 1.655 523 HG11 VAL 73 1HG1 VAL 73 5.031 3.656 -0.017 524 HG12 VAL 73 2HG1 VAL 73 4.478 3.928 1.637 525 HG13 VAL 73 3HG1 VAL 73 5.882 4.800 1.020 526 HG21 VAL 73 3HG2 VAL 73 6.249 1.231 2.994 527 HG22 VAL 73 1HG2 VAL 73 5.944 2.861 3.595 528 HG23 VAL 73 2HG2 VAL 73 4.681 1.992 2.722 529 HA PRO 74 HA PRO 74 7.125 2.421 -3.639 530 HB2 PRO 74 1HB PRO 74 4.783 3.207 -4.765 531 HB3 PRO 74 2HB PRO 74 5.235 1.509 -4.575 532 HG2 PRO 74 1HG PRO 74 3.426 3.187 -2.881 533 HG3 PRO 74 2HG PRO 74 3.208 1.518 -3.436 534 HD2 PRO 74 1HD PRO 74 4.057 2.123 -0.937 535 HD3 PRO 74 2HD PRO 74 4.581 0.660 -1.796 536 H GLU 75 H GLU 75 7.030 4.384 -5.060 537 HA GLU 75 HA GLU 75 7.144 6.767 -3.386 538 HB2 GLU 75 1HB GLU 75 8.100 6.168 -6.182 539 HB3 GLU 75 2HB GLU 75 8.144 7.785 -5.494 540 HG2 GLU 75 1HG GLU 75 10.247 7.113 -4.989 541 HG3 GLU 75 2HG GLU 75 9.413 6.541 -3.545 542 H TYR 76 H TYR 76 6.135 8.746 -3.982 543 HA TYR 76 HA TYR 76 3.491 8.361 -5.072 544 HB2 TYR 76 1HB TYR 76 3.990 9.797 -3.065 545 HB3 TYR 76 2HB TYR 76 4.764 10.943 -4.153 546 HD1 TYR 76 1HD TYR 76 1.570 9.003 -4.324 547 HD2 TYR 76 2HD TYR 76 3.449 12.819 -4.406 548 HE1 TYR 76 1HE TYR 76 -0.610 10.061 -4.750 549 HE2 TYR 76 2HE TYR 76 1.275 13.887 -4.831 550 HH TYR 76 HH TYR 76 -0.878 13.526 -5.381 551 H SER 77 H SER 77 2.693 9.114 -6.973 552 HA SER 77 HA SER 77 4.264 9.346 -9.202 553 HB2 SER 77 1HB SER 77 2.298 10.509 -10.265 554 HB3 SER 77 2HB SER 77 1.895 9.007 -9.434 555 HG SER 77 HG SER 77 0.408 10.514 -8.795 556 H ASN 78 H ASN 78 2.664 12.137 -7.654 557 HA ASN 78 HA ASN 78 4.624 13.910 -8.892 558 HB2 ASN 78 1HB ASN 78 1.982 14.224 -8.664 559 HB3 ASN 78 2HB ASN 78 2.461 14.968 -7.141 560 HD21 ASN 78 1HD2 ASN 78 4.296 16.572 -7.364 561 HD22 ASN 78 2HD2 ASN 78 4.203 17.660 -8.703 562 H LYS 79 H LYS 79 6.443 13.356 -7.623 563 HA LYS 79 HA LYS 79 6.348 13.755 -4.757 564 HB2 LYS 79 1HB LYS 79 8.359 12.768 -6.717 565 HB3 LYS 79 2HB LYS 79 8.960 13.442 -5.208 566 HG2 LYS 79 1HG LYS 79 6.785 11.428 -5.062 567 HG3 LYS 79 2HG LYS 79 8.410 10.875 -5.474 568 HD2 LYS 79 1HD LYS 79 7.959 12.675 -3.121 569 HD3 LYS 79 2HD LYS 79 7.694 10.935 -2.986 570 HE2 LYS 79 1HE LYS 79 9.919 10.439 -3.272 571 HE3 LYS 79 2HE LYS 79 10.241 11.913 -4.184 572 HZ1 LYS 79 3HZ LYS 79 11.068 11.660 -1.742 573 HZ2 LYS 79 1HZ LYS 79 9.490 12.132 -1.355 574 HZ3 LYS 79 2HZ LYS 79 10.471 13.145 -2.288 575 H ARG 80 H ARG 80 5.820 16.011 -6.606 576 HA ARG 80 HA ARG 80 8.002 17.801 -5.755 577 HB2 ARG 80 1HB ARG 80 6.216 17.924 -8.185 578 HB3 ARG 80 2HB ARG 80 7.218 19.271 -7.661 579 HG2 ARG 80 1HG ARG 80 9.185 17.673 -7.815 580 HG3 ARG 80 2HG ARG 80 8.091 16.586 -8.673 581 HD2 ARG 80 1HD ARG 80 9.074 17.736 -10.414 582 HD3 ARG 80 2HD ARG 80 7.606 18.674 -10.146 583 HE ARG 80 HE ARG 80 9.355 19.970 -8.600 584 HH11 ARG 80 1HH1 ARG 80 9.593 18.834 -11.882 585 HH12 ARG 80 2HH1 ARG 80 10.679 20.091 -12.377 586 HH21 ARG 80 1HH2 ARG 80 10.783 21.630 -9.239 587 HH22 ARG 80 2HH2 ARG 80 11.356 21.680 -10.872 588 H VAL 81 H VAL 81 5.853 17.122 -4.055 589 HA VAL 81 HA VAL 81 4.367 19.667 -3.963 590 HB VAL 81 HB VAL 81 2.648 18.402 -2.625 591 HG11 VAL 81 1HG1 VAL 81 3.186 18.196 -5.499 592 HG12 VAL 81 2HG1 VAL 81 2.055 16.993 -4.877 593 HG13 VAL 81 3HG1 VAL 81 1.729 18.712 -4.649 594 HG21 VAL 81 3HG2 VAL 81 3.883 15.924 -3.788 595 HG22 VAL 81 1HG2 VAL 81 4.285 16.494 -2.168 596 HG23 VAL 81 2HG2 VAL 81 2.623 16.057 -2.562 597 H SER 82 H SER 82 4.455 20.846 -2.131 598 HA SER 82 HA SER 82 6.279 19.933 -0.048 599 HB2 SER 82 1HB SER 82 5.238 22.576 -0.948 600 HB3 SER 82 2HB SER 82 5.705 22.417 0.745 601 HG SER 82 HG SER 82 7.742 22.249 0.181 602 H ARG 83 H ARG 83 3.450 18.964 -0.396 603 HA ARG 83 HA ARG 83 2.671 19.308 2.398 604 HB2 ARG 83 1HB ARG 83 0.982 20.002 0.017 605 HB3 ARG 83 2HB ARG 83 0.228 19.442 1.504 606 HG2 ARG 83 1HG ARG 83 1.016 21.296 2.723 607 HG3 ARG 83 2HG ARG 83 2.141 21.754 1.442 608 HD2 ARG 83 1HD ARG 83 0.281 23.254 1.363 609 HD3 ARG 83 2HD ARG 83 0.175 22.180 -0.031 610 HE ARG 83 HE ARG 83 -1.327 21.175 2.161 611 HH11 ARG 83 1HH1 ARG 83 -1.376 23.560 -0.374 612 HH12 ARG 83 2HH1 ARG 83 -3.105 23.626 -0.458 613 HH21 ARG 83 1HH2 ARG 83 -3.604 21.252 2.060 614 HH22 ARG 83 2HH2 ARG 83 -4.372 22.313 0.928 615 HA PRO 84 HA PRO 84 1.790 15.012 2.259 616 HB2 PRO 84 1HB PRO 84 -0.305 14.814 3.974 617 HB3 PRO 84 2HB PRO 84 1.347 15.138 4.510 618 HG2 PRO 84 1HG PRO 84 -0.917 17.050 4.092 619 HG3 PRO 84 2HG PRO 84 0.258 16.982 5.417 620 HD2 PRO 84 1HD PRO 84 0.478 18.734 3.365 621 HD3 PRO 84 2HD PRO 84 1.892 18.050 4.192 622 H VAL 85 H VAL 85 0.361 13.428 1.457 623 HA VAL 85 HA VAL 85 -2.067 14.445 0.138 624 HB VAL 85 HB VAL 85 -0.098 12.504 -1.083 625 HG11 VAL 85 1HG1 VAL 85 -1.882 13.471 -3.010 626 HG12 VAL 85 2HG1 VAL 85 -1.807 11.840 -2.340 627 HG13 VAL 85 3HG1 VAL 85 -2.872 13.044 -1.615 628 HG21 VAL 85 3HG2 VAL 85 0.629 14.195 -2.504 629 HG22 VAL 85 1HG2 VAL 85 -0.771 15.214 -2.167 630 HG23 VAL 85 2HG2 VAL 85 0.489 15.016 -0.949 631 H GLN 86 H GLN 86 -3.824 13.105 0.147 632 HA GLN 86 HA GLN 86 -3.683 10.834 1.957 633 HB2 GLN 86 1HB GLN 86 -5.489 12.477 2.227 634 HB3 GLN 86 2HB GLN 86 -6.059 12.123 0.601 635 HG2 GLN 86 1HG GLN 86 -7.455 10.987 2.168 636 HG3 GLN 86 2HG GLN 86 -6.486 9.791 1.307 637 HE21 GLN 86 1HE2 GLN 86 -6.930 8.350 3.045 638 HE22 GLN 86 2HE2 GLN 86 -6.036 8.453 4.519 639 H VAL 87 H VAL 87 -3.415 8.828 1.261 640 HA VAL 87 HA VAL 87 -4.443 8.098 -1.398 641 HB VAL 87 HB VAL 87 -2.502 6.707 -1.819 642 HG11 VAL 87 1HG1 VAL 87 -2.252 9.607 -1.371 643 HG12 VAL 87 2HG1 VAL 87 -0.734 8.729 -1.566 644 HG13 VAL 87 3HG1 VAL 87 -1.967 8.653 -2.826 645 HG21 VAL 87 3HG2 VAL 87 -2.069 6.273 0.638 646 HG22 VAL 87 1HG2 VAL 87 -0.644 6.530 -0.369 647 HG23 VAL 87 2HG2 VAL 87 -1.235 7.827 0.670 648 H TYR 88 H TYR 88 -4.236 5.553 -1.594 649 HA TYR 88 HA TYR 88 -4.845 4.207 0.912 650 HB2 TYR 88 1HB TYR 88 -6.818 4.251 -1.381 651 HB3 TYR 88 2HB TYR 88 -6.979 3.315 0.101 652 HD1 TYR 88 2HD TYR 88 -6.858 6.771 -1.236 653 HD2 TYR 88 1HD TYR 88 -7.912 4.273 2.043 654 HE1 TYR 88 2HE TYR 88 -8.015 8.664 -0.173 655 HE2 TYR 88 1HE TYR 88 -9.073 6.158 3.114 656 HH TYR 88 HH TYR 88 -10.138 8.677 1.747 657 H PHE 89 H PHE 89 -4.808 1.904 0.750 658 HA PHE 89 HA PHE 89 -3.875 0.779 -1.780 659 HB2 PHE 89 1HB PHE 89 -1.999 -0.378 -0.645 660 HB3 PHE 89 2HB PHE 89 -1.817 1.373 -0.633 661 HD1 PHE 89 1HD PHE 89 -2.108 2.640 1.435 662 HD2 PHE 89 2HD PHE 89 -2.321 -1.611 1.379 663 HE1 PHE 89 1HE PHE 89 -1.840 2.597 3.881 664 HE2 PHE 89 2HE PHE 89 -2.055 -1.660 3.824 665 HZ PHE 89 HZ PHE 89 -1.815 0.446 5.079 666 H TYR 90 H TYR 90 -3.815 -1.616 -1.725 667 HA TYR 90 HA TYR 90 -5.187 -2.986 0.389 668 HB2 TYR 90 1HB TYR 90 -7.132 -3.689 -0.919 669 HB3 TYR 90 2HB TYR 90 -7.098 -1.937 -0.749 670 HD1 TYR 90 2HD TYR 90 -6.610 -0.509 -2.673 671 HD2 TYR 90 1HD TYR 90 -6.825 -4.740 -3.073 672 HE1 TYR 90 2HE TYR 90 -6.772 -0.265 -5.115 673 HE2 TYR 90 1HE TYR 90 -6.987 -4.507 -5.516 674 HH TYR 90 HH TYR 90 -6.230 -1.729 -7.151 675 H VAL 91 H VAL 91 -5.499 -5.316 -0.136 676 HA VAL 91 HA VAL 91 -3.310 -6.226 -1.868 677 HB VAL 91 HB VAL 91 -4.768 -7.781 0.272 678 HG11 VAL 91 1HG1 VAL 91 -2.605 -8.411 -1.646 679 HG12 VAL 91 2HG1 VAL 91 -2.419 -9.026 -0.002 680 HG13 VAL 91 3HG1 VAL 91 -3.844 -9.454 -0.948 681 HG21 VAL 91 3HG2 VAL 91 -3.468 -5.793 1.098 682 HG22 VAL 91 1HG2 VAL 91 -2.940 -7.351 1.733 683 HG23 VAL 91 2HG2 VAL 91 -2.018 -6.562 0.452 684 H SER 92 H SER 92 -3.606 -7.835 -3.400 685 HA SER 92 HA SER 92 -6.403 -8.532 -4.008 686 HB2 SER 92 1HB SER 92 -5.746 -6.937 -5.663 687 HB3 SER 92 2HB SER 92 -4.192 -7.735 -5.907 688 HG SER 92 HG SER 92 -6.247 -9.447 -6.310 689 H ASN 93 H ASN 93 -6.774 -10.639 -3.961 690 HA ASN 93 HA ASN 93 -4.576 -12.479 -4.632 691 HB2 ASN 93 1HB ASN 93 -6.348 -12.429 -2.239 692 HB3 ASN 93 2HB ASN 93 -5.927 -14.004 -2.907 693 HD21 ASN 93 1HD2 ASN 93 -5.192 -12.906 -0.356 694 HD22 ASN 93 2HD2 ASN 93 -3.465 -12.845 -0.316 695 H GLY 94 H GLY 94 -5.200 -13.133 -6.622 696 HA2 GLY 94 1HA GLY 94 -6.400 -14.851 -7.797 697 HA3 GLY 94 2HA GLY 94 -7.799 -14.506 -6.791 698 H ARG 95 H ARG 95 -9.383 -13.706 -7.990 699 HA ARG 95 HA ARG 95 -8.696 -11.719 -10.056 700 HB2 ARG 95 1HB ARG 95 -10.677 -12.481 -11.302 701 HB3 ARG 95 2HB ARG 95 -9.510 -13.777 -11.073 702 HG2 ARG 95 1HG ARG 95 -10.845 -14.730 -9.309 703 HG3 ARG 95 2HG ARG 95 -11.975 -13.377 -9.391 704 HD2 ARG 95 1HD ARG 95 -12.977 -15.169 -10.574 705 HD3 ARG 95 2HD ARG 95 -12.402 -14.023 -11.785 706 HE ARG 95 HE ARG 95 -10.429 -15.980 -11.302 707 HH11 ARG 95 1HH1 ARG 95 -13.538 -15.570 -12.813 708 HH12 ARG 95 2HH1 ARG 95 -13.282 -16.826 -13.980 709 HH21 ARG 95 1HH2 ARG 95 -10.080 -17.635 -12.832 710 HH22 ARG 95 2HH2 ARG 95 -11.315 -18.000 -13.989 711 H ARG 96 H ARG 96 -11.186 -12.756 -7.749 712 HA ARG 96 HA ARG 96 -12.134 -9.967 -7.651 713 HB2 ARG 96 1HB ARG 96 -13.610 -12.571 -7.470 714 HB3 ARG 96 2HB ARG 96 -14.265 -11.133 -6.698 715 HG2 ARG 96 1HG ARG 96 -13.811 -10.094 -9.091 716 HG3 ARG 96 2HG ARG 96 -13.978 -11.783 -9.574 717 HD2 ARG 96 1HD ARG 96 -16.156 -11.894 -8.499 718 HD3 ARG 96 2HD ARG 96 -15.984 -10.230 -7.942 719 HE ARG 96 HE ARG 96 -16.530 -9.491 -10.050 720 HH11 ARG 96 1HH1 ARG 96 -15.908 -12.916 -10.129 721 HH12 ARG 96 2HH1 ARG 96 -16.502 -13.119 -11.744 722 HH21 ARG 96 1HH2 ARG 96 -17.315 -9.746 -12.176 723 HH22 ARG 96 2HH2 ARG 96 -17.301 -11.315 -12.908 724 H LYS 97 H LYS 97 -11.211 -12.807 -5.829 725 HA LYS 97 HA LYS 97 -11.919 -11.851 -3.261 726 HB2 LYS 97 1HB LYS 97 -9.743 -13.825 -3.967 727 HB3 LYS 97 2HB LYS 97 -10.522 -13.641 -2.402 728 HG2 LYS 97 1HG LYS 97 -12.448 -14.680 -3.081 729 HG3 LYS 97 2HG LYS 97 -12.201 -14.266 -4.779 730 HD2 LYS 97 1HD LYS 97 -10.258 -15.857 -4.782 731 HD3 LYS 97 2HD LYS 97 -10.763 -16.370 -3.170 732 HE2 LYS 97 1HE LYS 97 -12.944 -17.028 -4.071 733 HE3 LYS 97 2HE LYS 97 -12.432 -16.518 -5.679 734 HZ1 LYS 97 3HZ LYS 97 -12.251 -18.993 -4.998 735 HZ2 LYS 97 1HZ LYS 97 -10.837 -18.504 -4.209 736 HZ3 LYS 97 2HZ LYS 97 -10.995 -18.281 -5.879 737 H ARG 98 H ARG 98 -11.134 -10.047 -2.397 738 HA ARG 98 HA ARG 98 -8.274 -9.715 -2.134 739 HB2 ARG 98 1HB ARG 98 -8.405 -7.329 -2.985 740 HB3 ARG 98 2HB ARG 98 -8.475 -8.591 -4.208 741 HG2 ARG 98 1HG ARG 98 -10.104 -7.046 -4.845 742 HG3 ARG 98 2HG ARG 98 -11.006 -8.354 -4.075 743 HD2 ARG 98 1HD ARG 98 -11.189 -7.084 -2.034 744 HD3 ARG 98 2HD ARG 98 -10.158 -5.813 -2.691 745 HE ARG 98 HE ARG 98 -12.958 -6.262 -3.265 746 HH11 ARG 98 1HH1 ARG 98 -10.000 -4.698 -4.226 747 HH12 ARG 98 2HH1 ARG 98 -10.797 -3.474 -5.158 748 HH21 ARG 98 1HH2 ARG 98 -14.019 -4.656 -4.489 749 HH22 ARG 98 2HH2 ARG 98 -13.083 -3.451 -5.306 750 H SER 99 H SER 99 -7.897 -7.468 -0.963 751 HA SER 99 HA SER 99 -9.826 -7.407 1.254 752 HB2 SER 99 1HB SER 99 -8.094 -6.976 2.702 753 HB3 SER 99 2HB SER 99 -7.212 -7.872 1.465 754 HG SER 99 HG SER 99 -6.013 -6.128 1.501 755 HA PRO 100 HA PRO 100 -11.075 -3.290 0.395 756 HB2 PRO 100 1HB PRO 100 -11.401 -2.283 2.895 757 HB3 PRO 100 2HB PRO 100 -12.504 -3.468 2.185 758 HG2 PRO 100 1HG PRO 100 -10.251 -3.893 4.110 759 HG3 PRO 100 2HG PRO 100 -11.875 -4.605 4.114 760 HD2 PRO 100 1HD PRO 100 -9.701 -5.939 3.204 761 HD3 PRO 100 2HD PRO 100 -11.324 -6.183 2.526 762 H THR 101 H THR 101 -10.531 -1.001 0.711 763 HA THR 101 HA THR 101 -7.680 -0.623 0.741 764 HB THR 101 HB THR 101 -8.157 1.707 0.181 765 HG1 THR 101 1HG THR 101 -10.069 1.904 1.495 766 HG21 THR 101 3HG2 THR 101 -10.143 0.193 -1.450 767 HG22 THR 101 1HG2 THR 101 -8.457 -0.321 -1.471 768 HG23 THR 101 2HG2 THR 101 -8.886 1.317 -1.966 769 H GLN 102 H GLN 102 -6.499 0.730 2.132 770 HA GLN 102 HA GLN 102 -7.791 1.219 4.734 771 HB2 GLN 102 1HB GLN 102 -4.948 0.426 4.102 772 HB3 GLN 102 2HB GLN 102 -5.469 0.980 5.687 773 HG2 GLN 102 1HG GLN 102 -6.260 -1.522 4.238 774 HG3 GLN 102 2HG GLN 102 -5.451 -1.362 5.796 775 HE21 GLN 102 1HE2 GLN 102 -8.385 -1.772 4.222 776 HE22 GLN 102 2HE2 GLN 102 -9.437 -1.525 5.570 777 H SER 103 H SER 103 -7.837 3.249 5.445 778 HA SER 103 HA SER 103 -7.098 5.430 3.896 779 HB2 SER 103 1HB SER 103 -7.401 6.771 5.990 780 HB3 SER 103 2HB SER 103 -8.737 5.670 5.656 781 HG SER 103 HG SER 103 -6.584 4.960 7.346 782 H PHE 104 H PHE 104 -5.186 6.243 3.393 783 HA PHE 104 HA PHE 104 -3.023 6.157 5.369 784 HB2 PHE 104 1HB PHE 104 -2.932 4.284 3.546 785 HB3 PHE 104 2HB PHE 104 -2.398 5.589 2.492 786 HD1 PHE 104 2HD PHE 104 -1.608 3.802 5.636 787 HD2 PHE 104 1HD PHE 104 -0.182 6.335 2.527 788 HE1 PHE 104 2HE PHE 104 0.689 3.531 6.474 789 HE2 PHE 104 1HE PHE 104 2.118 6.067 3.360 790 HZ PHE 104 HZ PHE 104 2.555 4.665 5.336 791 H ARG 105 H ARG 105 -1.230 7.643 4.822 792 HA ARG 105 HA ARG 105 -1.781 9.727 2.894 793 HB2 ARG 105 1HB ARG 105 -3.112 10.575 4.694 794 HB3 ARG 105 2HB ARG 105 -1.842 10.250 5.865 795 HG2 ARG 105 1HG ARG 105 -0.448 11.970 4.855 796 HG3 ARG 105 2HG ARG 105 -1.696 12.280 3.646 797 HD2 ARG 105 1HD ARG 105 -2.160 13.932 5.168 798 HD3 ARG 105 2HD ARG 105 -3.211 12.642 5.753 799 HE ARG 105 HE ARG 105 -0.664 12.527 7.000 800 HH11 ARG 105 1HH1 ARG 105 -3.670 14.284 7.008 801 HH12 ARG 105 2HH1 ARG 105 -3.536 14.764 8.667 802 HH21 ARG 105 1HH2 ARG 105 -0.476 13.153 9.186 803 HH22 ARG 105 2HH2 ARG 105 -1.718 14.121 9.905 804 H PHE 106 H PHE 106 0.045 10.752 2.227 805 HA PHE 106 HA PHE 106 2.557 9.818 3.413 806 HB2 PHE 106 1HB PHE 106 1.997 11.104 0.733 807 HB3 PHE 106 2HB PHE 106 3.588 10.598 1.291 808 HD1 PHE 106 1HD PHE 106 3.246 8.022 2.423 809 HD2 PHE 106 2HD PHE 106 1.266 9.722 -0.939 810 HE1 PHE 106 1HE PHE 106 2.844 5.767 1.524 811 HE2 PHE 106 2HE PHE 106 0.860 7.470 -1.844 812 HZ PHE 106 HZ PHE 106 1.649 5.489 -0.612 813 H LEU 107 H LEU 107 4.034 11.173 4.288 814 HA LEU 107 HA LEU 107 3.280 14.012 4.463 815 HB2 LEU 107 1HB LEU 107 5.142 12.530 6.303 816 HB3 LEU 107 2HB LEU 107 4.412 14.115 6.551 817 HG LEU 107 HG LEU 107 2.717 11.647 6.368 818 HD11 LEU 107 1HD1 LEU 107 4.686 12.120 8.346 819 HD12 LEU 107 2HD1 LEU 107 3.450 10.863 8.304 820 HD13 LEU 107 3HD1 LEU 107 3.107 12.411 9.076 821 HD21 LEU 107 3HD2 LEU 107 2.383 14.349 7.665 822 HD22 LEU 107 1HD2 LEU 107 1.230 13.020 7.790 823 HD23 LEU 107 2HD2 LEU 107 1.559 13.757 6.222 824 HA PRO 108 HA PRO 108 6.869 15.075 2.137 825 HB2 PRO 108 1HB PRO 108 7.100 17.667 2.911 826 HB3 PRO 108 2HB PRO 108 5.852 17.106 1.792 827 HG2 PRO 108 1HG PRO 108 5.654 17.654 4.728 828 HG3 PRO 108 2HG PRO 108 4.519 18.074 3.432 829 HD2 PRO 108 1HD PRO 108 4.141 15.950 5.068 830 HD3 PRO 108 2HD PRO 108 3.605 15.959 3.375 831 H VAL 109 H VAL 109 8.991 14.819 2.473 832 HA VAL 109 HA VAL 109 10.003 15.087 5.220 833 HB VAL 109 HB VAL 109 11.905 13.669 4.421 834 HG11 VAL 109 1HG1 VAL 109 10.626 12.195 5.501 835 HG12 VAL 109 2HG1 VAL 109 9.140 12.876 4.835 836 HG13 VAL 109 3HG1 VAL 109 10.058 11.685 3.911 837 HG21 VAL 109 3HG2 VAL 109 10.844 14.250 1.903 838 HG22 VAL 109 1HG2 VAL 109 12.168 13.146 2.275 839 HG23 VAL 109 2HG2 VAL 109 10.517 12.537 2.163 840 H ILE 110 H ILE 110 10.345 16.267 1.984 841 HA ILE 110 HA ILE 110 12.837 17.255 1.748 842 HB ILE 110 HB ILE 110 10.311 18.813 1.187 843 HG12 ILE 110 1HG1 ILE 110 11.959 17.353 -0.850 844 HG13 ILE 110 2HG1 ILE 110 10.783 16.472 0.120 845 HG21 ILE 110 1HG2 ILE 110 11.650 20.113 -0.374 846 HG22 ILE 110 2HG2 ILE 110 12.290 20.254 1.262 847 HG23 ILE 110 3HG2 ILE 110 13.092 19.209 0.090 848 HD11 ILE 110 3HD1 ILE 110 10.371 18.056 -2.209 849 HD12 ILE 110 1HD1 ILE 110 9.213 17.076 -1.309 850 HD13 ILE 110 2HD1 ILE 110 9.477 18.762 -0.862 851 H CYS 111 H CYS 111 10.290 18.653 3.771 852 HA CYS 111 HA CYS 111 11.487 20.989 4.584 853 HB2 CYS 111 1HB CYS 111 10.170 20.777 6.668 854 HB3 CYS 111 2HB CYS 111 9.219 20.407 5.235 855 HG CYS 111 HG CYS 111 10.352 18.260 7.624 856 H LYS 112 H LYS 112 13.445 21.339 5.373 857 HA LYS 112 HA LYS 112 14.972 19.265 6.640 858 HB2 LYS 112 1HB LYS 112 15.490 22.161 6.013 859 HB3 LYS 112 2HB LYS 112 16.621 21.218 6.975 860 HG2 LYS 112 1HG LYS 112 16.400 19.554 4.926 861 HG3 LYS 112 2HG LYS 112 15.977 21.048 4.087 862 HD2 LYS 112 1HD LYS 112 18.053 22.042 4.600 863 HD3 LYS 112 2HD LYS 112 18.428 20.817 5.814 864 HE2 LYS 112 1HE LYS 112 18.387 19.141 3.900 865 HE3 LYS 112 2HE LYS 112 18.397 20.535 2.821 866 HZ1 LYS 112 3HZ LYS 112 20.628 19.671 3.216 867 HZ2 LYS 112 1HZ LYS 112 20.458 19.946 4.877 868 HZ3 LYS 112 2HZ LYS 112 20.473 21.251 3.801 869 H GLU 113 H GLU 113 14.837 18.733 8.710 870 HA GLU 113 HA GLU 113 14.577 20.814 10.729 871 HB2 GLU 113 1HB GLU 113 12.513 18.741 10.161 872 HB3 GLU 113 2HB GLU 113 12.832 19.145 11.842 873 HG2 GLU 113 1HG GLU 113 12.208 21.230 9.777 874 HG3 GLU 113 2HG GLU 113 10.957 20.397 10.698 875 H GLU 114 H GLU 114 14.574 19.649 12.999 876 HA GLU 114 HA GLU 114 16.957 18.003 13.009 877 HB2 GLU 114 1HB GLU 114 16.894 18.298 15.442 878 HB3 GLU 114 2HB GLU 114 16.769 19.840 14.608 879 HG2 GLU 114 1HG GLU 114 15.222 19.942 16.364 880 HG3 GLU 114 2HG GLU 114 14.268 19.655 14.909
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