NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
581676 | 2mmi | 19855 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -13.150 -10.473 -15.352 2 H2 GLY 1 H2 GLY 1 -12.974 -9.463 -14.001 3 H3 GLY 1 H3 GLY 1 -11.843 -9.404 -15.263 4 HA2 GLY 1 HA3 GLY 1 -11.178 -10.631 -13.167 5 HA3 GLY 1 HA2 GLY 1 -12.308 -11.880 -13.742 6 H SER 2 H SER 2 -9.278 -11.653 -13.414 7 HA SER 2 HA SER 2 -8.591 -12.587 -16.114 8 HB2 SER 2 HB2 SER 2 -6.337 -11.689 -15.846 9 HB3 SER 2 HB3 SER 2 -7.536 -10.375 -15.786 10 HG SER 2 HG SER 2 -5.970 -10.231 -14.114 11 H THR 3 H THR 3 -6.999 -14.278 -16.137 12 HA THR 3 HA THR 3 -7.152 -15.935 -13.766 13 HB THR 3 HB THR 3 -5.809 -16.469 -16.406 14 HG1 THR 3 HG1 THR 3 -7.700 -17.737 -16.691 15 HG21 THR 3 1HG2 THR 3 -6.568 -18.267 -14.064 16 HG22 THR 3 2HG2 THR 3 -5.871 -18.807 -15.611 17 HG23 THR 3 3HG2 THR 3 -4.913 -17.786 -14.513 18 H ALA 4 H ALA 4 -6.064 -14.533 -12.368 19 HA ALA 4 HA ALA 4 -3.179 -14.234 -12.815 20 HB1 ALA 4 HB1 ALA 4 -5.013 -12.732 -10.891 21 HB2 ALA 4 HB2 ALA 4 -3.257 -12.502 -11.063 22 HB3 ALA 4 HB3 ALA 4 -4.347 -12.073 -12.403 23 H MET 5 H MET 5 -1.881 -15.160 -11.151 24 HA MET 5 HA MET 5 -2.984 -17.332 -9.736 25 HB2 MET 5 HB2 MET 5 -0.849 -17.681 -8.794 26 HB3 MET 5 HB3 MET 5 -0.560 -17.106 -10.453 27 HG2 MET 5 HG2 MET 5 -0.415 -15.401 -7.939 28 HG3 MET 5 HG3 MET 5 0.974 -16.054 -8.840 29 HE1 MET 5 HE1 MET 5 2.057 -13.708 -8.786 30 HE2 MET 5 HE2 MET 5 1.250 -12.226 -9.354 31 HE3 MET 5 HE3 MET 5 0.648 -13.070 -7.907 32 H ALA 6 H ALA 6 -3.864 -17.576 -7.912 33 HA ALA 6 HA ALA 6 -4.944 -17.203 -6.019 34 HB1 ALA 6 HB1 ALA 6 -2.561 -15.451 -5.376 35 HB2 ALA 6 HB2 ALA 6 -3.774 -16.048 -4.218 36 HB3 ALA 6 HB3 ALA 6 -2.711 -17.197 -5.065 37 H THR 7 H THR 7 -5.591 -15.446 -8.339 38 HA THR 7 HA THR 7 -6.799 -13.695 -8.910 39 HB THR 7 HB THR 7 -8.755 -13.225 -7.674 40 HG1 THR 7 HG1 THR 7 -7.833 -13.355 -5.581 41 HG21 THR 7 1HG2 THR 7 -8.024 -16.182 -7.705 42 HG22 THR 7 2HG2 THR 7 -9.674 -15.516 -7.666 43 HG23 THR 7 3HG2 THR 7 -8.640 -15.245 -9.088 44 H THR 8 H THR 8 -4.283 -12.892 -8.145 45 HA THR 8 HA THR 8 -4.417 -10.692 -6.329 46 HB THR 8 HB THR 8 -2.361 -11.391 -8.429 47 HG1 THR 8 HG1 THR 8 -2.696 -12.964 -6.784 48 HG21 THR 8 1HG2 THR 8 -2.238 -9.553 -6.008 49 HG22 THR 8 2HG2 THR 8 -0.877 -9.965 -7.079 50 HG23 THR 8 3HG2 THR 8 -2.257 -9.034 -7.709 51 H MET 9 H MET 9 -4.711 -8.502 -6.781 52 HA MET 9 HA MET 9 -6.149 -7.935 -9.212 53 HB2 MET 9 HB2 MET 9 -6.652 -6.906 -6.903 54 HB3 MET 9 HB3 MET 9 -5.238 -5.869 -7.209 55 HG2 MET 9 HG2 MET 9 -7.240 -4.724 -8.021 56 HG3 MET 9 HG3 MET 9 -6.261 -5.225 -9.419 57 HE1 MET 9 HE1 MET 9 -8.174 -4.898 -11.114 58 HE2 MET 9 HE2 MET 9 -9.827 -5.520 -10.892 59 HE3 MET 9 HE3 MET 9 -9.190 -4.272 -9.794 60 H GLU 10 H GLU 10 -5.319 -7.032 -10.987 61 HA GLU 10 HA GLU 10 -2.545 -7.025 -11.465 62 HB2 GLU 10 HB2 GLU 10 -4.773 -5.843 -13.130 63 HB3 GLU 10 HB3 GLU 10 -3.109 -6.189 -13.654 64 HG2 GLU 10 HG2 GLU 10 -3.469 -8.596 -13.141 65 HG3 GLU 10 HG3 GLU 10 -5.149 -8.231 -12.681 66 H GLN 11 H GLN 11 -4.713 -4.163 -10.838 67 HA GLN 11 HA GLN 11 -2.565 -2.436 -11.673 68 HB2 GLN 11 HB2 GLN 11 -3.703 -0.549 -10.719 69 HB3 GLN 11 HB3 GLN 11 -4.734 -1.463 -11.846 70 HG2 GLN 11 HG2 GLN 11 -4.917 -2.239 -8.978 71 HG3 GLN 11 HG3 GLN 11 -5.557 -0.634 -9.407 72 HE21 GLN 11 1HE2 GLN 11 -7.722 -0.939 -9.291 73 HE22 GLN 11 2HE2 GLN 11 -8.602 -2.123 -10.232 74 H GLU 12 H GLU 12 -1.479 -0.884 -10.512 75 HA GLU 12 HA GLU 12 -0.240 -2.001 -8.171 76 HB2 GLU 12 HB2 GLU 12 0.324 0.616 -9.602 77 HB3 GLU 12 HB3 GLU 12 1.356 -0.214 -8.412 78 HG2 GLU 12 HG2 GLU 12 1.495 -2.147 -10.027 79 HG3 GLU 12 HG3 GLU 12 0.678 -1.112 -11.223 80 H ILE 13 H ILE 13 -1.882 -2.023 -6.687 81 HA ILE 13 HA ILE 13 -3.210 0.419 -5.872 82 HB ILE 13 HB ILE 13 -4.434 -0.935 -4.325 83 HG12 ILE 13 2HG1 ILE 13 -4.346 -3.442 -4.624 84 HG13 ILE 13 3HG1 ILE 13 -2.762 -3.220 -5.403 85 HG21 ILE 13 1HG2 ILE 13 -4.264 -2.037 -7.167 86 HG22 ILE 13 2HG2 ILE 13 -5.654 -2.213 -6.071 87 HG23 ILE 13 3HG2 ILE 13 -5.188 -0.601 -6.667 88 HD11 ILE 13 3HD1 ILE 13 -1.903 -2.164 -3.353 89 HD12 ILE 13 1HD1 ILE 13 -3.487 -2.386 -2.574 90 HD13 ILE 13 2HD1 ILE 13 -2.517 -3.805 -3.039 91 H CYS 14 H CYS 14 -0.181 -0.806 -4.790 92 HA CYS 14 HA CYS 14 -0.538 -0.223 -2.040 93 HB2 CYS 14 HB2 CYS 14 1.399 -1.535 -2.838 94 HB3 CYS 14 HB3 CYS 14 2.085 -0.032 -3.501 95 H ALA 15 H ALA 15 0.042 1.546 -0.841 96 HA ALA 15 HA ALA 15 -0.931 3.995 -1.771 97 HB1 ALA 15 HB1 ALA 15 0.801 3.382 0.653 98 HB2 ALA 15 HB2 ALA 15 -0.118 4.881 0.372 99 HB3 ALA 15 HB3 ALA 15 -0.977 3.340 0.603 100 H HIS 16 H HIS 16 2.461 2.846 -1.292 101 HA HIS 16 HA HIS 16 3.661 5.333 -1.798 102 HB2 HIS 16 HB2 HIS 16 4.716 2.525 -2.109 103 HB3 HIS 16 HB3 HIS 16 5.685 4.001 -2.331 104 HD2 HIS 16 HD2 HIS 16 6.931 4.890 -0.144 105 HE1 HIS 16 HE1 HIS 16 4.582 2.844 2.723 106 H SER 17 H SER 17 2.722 2.669 -4.105 107 HA SER 17 HA SER 17 2.187 4.171 -6.279 108 HB2 SER 17 HB2 SER 17 4.150 3.986 -7.777 109 HB3 SER 17 HB3 SER 17 4.402 5.155 -6.459 110 HG SER 17 HG SER 17 6.190 3.764 -6.769 111 H MET 18 H MET 18 4.336 1.369 -5.484 112 HA MET 18 HA MET 18 3.409 -0.119 -7.759 113 HB2 MET 18 HB2 MET 18 5.214 -1.017 -5.520 114 HB3 MET 18 HB3 MET 18 4.991 -1.766 -7.120 115 HG2 MET 18 HG2 MET 18 5.864 0.334 -8.156 116 HG3 MET 18 HG3 MET 18 6.214 0.942 -6.521 117 HE1 MET 18 HE1 MET 18 8.686 1.381 -7.288 118 HE2 MET 18 HE2 MET 18 9.738 0.142 -8.011 119 HE3 MET 18 HE3 MET 18 8.314 0.730 -8.900 120 H THR 19 H THR 19 3.299 -2.645 -7.254 121 HA THR 19 HA THR 19 0.568 -2.979 -6.437 122 HB THR 19 HB THR 19 2.692 -4.968 -7.342 123 HG1 THR 19 HG1 THR 19 2.160 -3.325 -8.867 124 HG21 THR 19 1HG2 THR 19 -0.338 -5.198 -7.268 125 HG22 THR 19 2HG2 THR 19 0.792 -6.401 -7.935 126 HG23 THR 19 3HG2 THR 19 0.796 -6.048 -6.191 127 H PHE 20 H PHE 20 0.008 -4.819 -4.901 128 HA PHE 20 HA PHE 20 0.977 -4.440 -2.327 129 HB2 PHE 20 HB2 PHE 20 -1.301 -5.267 -2.963 130 HB3 PHE 20 HB3 PHE 20 -0.578 -6.730 -3.673 131 HD1 PHE 20 HD2 PHE 20 -1.246 -4.912 -0.510 132 HD2 PHE 20 HD1 PHE 20 0.090 -8.574 -2.321 133 HE1 PHE 20 HE2 PHE 20 -1.386 -6.051 1.688 134 HE2 PHE 20 HE1 PHE 20 -0.048 -9.713 -0.123 135 HZ PHE 20 HZ PHE 20 -0.787 -8.451 1.884 136 H GLU 21 H GLU 21 1.622 -6.907 -4.878 137 HA GLU 21 HA GLU 21 3.313 -8.614 -3.427 138 HB2 GLU 21 HB2 GLU 21 2.069 -9.143 -5.551 139 HB3 GLU 21 HB3 GLU 21 3.157 -8.037 -6.421 140 HG2 GLU 21 HG2 GLU 21 5.080 -9.410 -5.867 141 HG3 GLU 21 HG3 GLU 21 4.083 -10.457 -4.830 142 H GLU 22 H GLU 22 3.849 -5.649 -5.359 143 HA GLU 22 HA GLU 22 6.738 -5.790 -5.148 144 HB2 GLU 22 HB2 GLU 22 4.881 -3.828 -6.552 145 HB3 GLU 22 HB3 GLU 22 6.658 -3.820 -6.626 146 HG2 GLU 22 HG2 GLU 22 4.897 -6.122 -7.539 147 HG3 GLU 22 HG3 GLU 22 5.601 -4.887 -8.610 148 H CYS 23 H CYS 23 4.512 -5.004 -2.905 149 HA CYS 23 HA CYS 23 4.972 -2.405 -2.147 150 HB2 CYS 23 HB2 CYS 23 3.199 -3.827 -1.186 151 HB3 CYS 23 HB3 CYS 23 4.445 -4.715 -0.274 152 HG CYS 23 HG CYS 23 3.230 -3.022 1.295 153 HA PRO 24 HA PRO 24 8.650 -3.653 0.601 154 HB2 PRO 24 HB2 PRO 24 10.428 -5.502 -0.295 155 HB3 PRO 24 HB3 PRO 24 9.141 -5.857 0.882 156 HG2 PRO 24 HG2 PRO 24 9.162 -6.326 -2.133 157 HG3 PRO 24 HG3 PRO 24 8.579 -7.416 -0.852 158 HD2 PRO 24 HD2 PRO 24 6.843 -5.867 -2.284 159 HD3 PRO 24 HD3 PRO 24 6.567 -6.226 -0.563 160 H LYS 25 H LYS 25 8.818 -3.837 -2.983 161 HA LYS 25 HA LYS 25 11.271 -2.409 -3.206 162 HB2 LYS 25 HB2 LYS 25 9.098 -2.719 -5.269 163 HB3 LYS 25 HB3 LYS 25 10.739 -2.080 -5.523 164 HG2 LYS 25 HG2 LYS 25 11.646 -4.277 -4.673 165 HG3 LYS 25 HG3 LYS 25 9.977 -4.895 -4.646 166 HD2 LYS 25 HD2 LYS 25 11.034 -5.566 -6.735 167 HD3 LYS 25 HD3 LYS 25 9.791 -4.343 -7.089 168 HE2 LYS 25 HE2 LYS 25 11.846 -3.901 -8.363 169 HE3 LYS 25 HE3 LYS 25 11.545 -2.600 -7.187 170 HZ1 LYS 25 HZ1 LYS 25 13.402 -4.835 -6.827 171 HZ2 LYS 25 HZ2 LYS 25 13.815 -3.284 -7.204 172 HZ3 LYS 25 HZ3 LYS 25 13.127 -3.622 -5.743 173 H CYS 26 H CYS 26 7.961 -1.391 -2.519 174 HA CYS 26 HA CYS 26 8.017 1.198 -3.564 175 HB2 CYS 26 HB2 CYS 26 6.532 -0.023 -1.222 176 HB3 CYS 26 HB3 CYS 26 6.283 1.637 -1.814 177 HG CYS 26 HG CYS 26 4.340 0.122 -2.570 178 H SER 27 H SER 27 9.297 -0.256 -0.550 179 HA SER 27 HA SER 27 9.746 2.084 0.932 180 HB2 SER 27 HB2 SER 27 11.266 -0.545 0.960 181 HB3 SER 27 HB3 SER 27 11.334 0.727 2.202 182 HG SER 27 HG SER 27 9.848 -0.939 2.720 183 H ALA 28 H ALA 28 11.656 0.378 -1.608 184 HA ALA 28 HA ALA 28 14.044 1.885 -1.249 185 HB1 ALA 28 HB1 ALA 28 13.019 0.447 -3.721 186 HB2 ALA 28 HB2 ALA 28 14.662 1.086 -3.476 187 HB3 ALA 28 HB3 ALA 28 14.068 -0.255 -2.468 188 H LEU 29 H LEU 29 14.598 3.849 -2.227 189 HA LEU 29 HA LEU 29 12.393 5.364 -3.380 190 HB2 LEU 29 HB2 LEU 29 14.896 5.991 -1.893 191 HB3 LEU 29 HB3 LEU 29 14.390 7.146 -3.148 192 HG LEU 29 HG LEU 29 12.106 7.191 -2.085 193 HD11 LEU 29 1HD1 LEU 29 13.487 5.657 0.137 194 HD12 LEU 29 2HD1 LEU 29 11.865 6.385 0.212 195 HD13 LEU 29 3HD1 LEU 29 12.188 5.043 -0.912 196 HD21 LEU 29 3HD2 LEU 29 14.465 7.962 -0.321 197 HD22 LEU 29 1HD2 LEU 29 13.793 8.936 -1.650 198 HD23 LEU 29 2HD2 LEU 29 12.816 8.618 -0.196 199 H GLN 30 H GLN 30 14.392 3.310 -4.877 200 HA GLN 30 HA GLN 30 15.778 4.883 -6.734 201 HB2 GLN 30 HB2 GLN 30 14.768 2.064 -7.035 202 HB3 GLN 30 HB3 GLN 30 15.922 2.898 -8.099 203 HG2 GLN 30 HG2 GLN 30 17.450 3.232 -6.174 204 HG3 GLN 30 HG3 GLN 30 16.310 2.366 -5.124 205 HE21 GLN 30 2HE2 GLN 30 19.087 2.025 -6.970 206 HE22 GLN 30 1HE2 GLN 30 19.040 0.297 -7.239 207 H TYR 31 H TYR 31 12.387 3.702 -6.770 208 HA TYR 31 HA TYR 31 11.848 4.397 -9.444 209 HB2 TYR 31 HB2 TYR 31 10.347 2.910 -8.261 210 HB3 TYR 31 HB3 TYR 31 10.047 4.123 -7.011 211 HD1 TYR 31 HD1 TYR 31 9.676 3.564 -10.701 212 HD2 TYR 31 HD2 TYR 31 8.243 5.594 -7.191 213 HE1 TYR 31 HE1 TYR 31 7.771 4.467 -12.007 214 HE2 TYR 31 HE2 TYR 31 6.332 6.495 -8.483 215 HH TYR 31 HH TYR 31 5.877 5.763 -11.967 216 H ARG 32 H ARG 32 11.648 6.269 -6.354 217 HA ARG 32 HA ARG 32 10.345 8.522 -7.406 218 HB2 ARG 32 HB2 ARG 32 12.206 8.306 -5.022 219 HB3 ARG 32 HB3 ARG 32 11.199 9.708 -5.450 220 HG2 ARG 32 HG2 ARG 32 9.182 8.180 -5.396 221 HG3 ARG 32 HG3 ARG 32 10.240 6.916 -4.725 222 HD2 ARG 32 HD2 ARG 32 10.852 8.511 -2.874 223 HD3 ARG 32 HD3 ARG 32 9.675 9.661 -3.527 224 HE ARG 32 HE ARG 32 8.441 7.107 -3.106 225 HH11 ARG 32 2HH1 ARG 32 9.661 9.946 -1.375 226 HH12 ARG 32 1HH1 ARG 32 8.603 9.720 0.001 227 HH21 ARG 32 2HH2 ARG 32 7.065 6.814 -1.294 228 HH22 ARG 32 1HH2 ARG 32 7.125 7.936 0.047 229 H ASN 33 H ASN 33 13.834 7.656 -7.154 230 HA ASN 33 HA ASN 33 14.787 10.183 -8.021 231 HB2 ASN 33 HB2 ASN 33 16.098 7.443 -8.233 232 HB3 ASN 33 HB3 ASN 33 16.897 9.004 -8.516 233 HD21 ASN 33 1HD2 ASN 33 17.441 6.873 -6.473 234 HD22 ASN 33 2HD2 ASN 33 17.342 7.680 -4.923 235 H GLY 34 H GLY 34 15.630 10.734 -10.141 236 HA2 GLY 34 HA2 GLY 34 15.954 10.401 -12.400 237 HA3 GLY 34 HA3 GLY 34 14.905 8.976 -12.355 238 H PHE 35 H PHE 35 13.340 11.409 -10.557 239 HA PHE 35 HA PHE 35 11.703 12.152 -12.871 240 HB2 PHE 35 HB2 PHE 35 11.037 12.167 -9.949 241 HB3 PHE 35 HB3 PHE 35 10.172 13.146 -11.137 242 HD1 PHE 35 HD1 PHE 35 10.930 9.637 -10.132 243 HD2 PHE 35 HD2 PHE 35 8.671 12.208 -12.730 244 HE1 PHE 35 HE1 PHE 35 9.450 7.741 -10.720 245 HE2 PHE 35 HE2 PHE 35 7.215 10.299 -13.343 246 HZ PHE 35 HZ PHE 35 7.598 8.067 -12.328 247 H TYR 36 H TYR 36 11.492 14.210 -13.478 248 HA TYR 36 HA TYR 36 13.608 15.980 -13.069 249 HB2 TYR 36 HB2 TYR 36 12.290 15.812 -15.131 250 HB3 TYR 36 HB3 TYR 36 10.824 16.296 -14.267 251 HD1 TYR 36 HD1 TYR 36 14.345 17.604 -14.582 252 HD2 TYR 36 HD2 TYR 36 10.131 18.455 -14.695 253 HE1 TYR 36 HE1 TYR 36 14.845 19.986 -15.048 254 HE2 TYR 36 HE2 TYR 36 10.617 20.839 -15.160 255 HH TYR 36 HH TYR 36 13.976 22.076 -15.436 256 H LEU 37 H LEU 37 10.222 16.127 -11.659 257 HA LEU 37 HA LEU 37 11.419 18.015 -9.727 258 HB2 LEU 37 HB2 LEU 37 8.665 18.268 -10.957 259 HB3 LEU 37 HB3 LEU 37 9.255 19.191 -9.565 260 HG LEU 37 HG LEU 37 10.551 19.224 -12.321 261 HD11 LEU 37 1HD1 LEU 37 8.720 21.256 -10.978 262 HD12 LEU 37 2HD1 LEU 37 9.505 21.439 -12.564 263 HD13 LEU 37 3HD1 LEU 37 8.260 20.191 -12.330 264 HD21 LEU 37 3HD2 LEU 37 10.922 20.976 -9.850 265 HD22 LEU 37 1HD2 LEU 37 12.105 19.810 -10.490 266 HD23 LEU 37 2HD2 LEU 37 11.685 21.253 -11.433 267 H LEU 38 H LEU 38 11.244 17.394 -7.743 268 HA LEU 38 HA LEU 38 9.961 15.040 -6.902 269 HB2 LEU 38 HB2 LEU 38 11.026 17.406 -5.312 270 HB3 LEU 38 HB3 LEU 38 10.517 15.858 -4.624 271 HG LEU 38 HG LEU 38 12.810 16.250 -6.594 272 HD11 LEU 38 1HD1 LEU 38 12.756 15.590 -3.616 273 HD12 LEU 38 2HD1 LEU 38 14.211 15.688 -4.634 274 HD13 LEU 38 3HD1 LEU 38 13.243 17.148 -4.325 275 HD21 LEU 38 3HD2 LEU 38 11.785 13.782 -5.119 276 HD22 LEU 38 1HD2 LEU 38 11.821 14.034 -6.883 277 HD23 LEU 38 2HD2 LEU 38 13.338 13.873 -5.982 278 H LYS 39 H LYS 39 9.191 18.509 -6.767 279 HA LYS 39 HA LYS 39 6.985 18.457 -5.051 280 HB2 LYS 39 HB2 LYS 39 7.774 20.430 -7.222 281 HB3 LYS 39 HB3 LYS 39 6.463 20.667 -6.050 282 HG2 LYS 39 HG2 LYS 39 8.096 20.447 -4.188 283 HG3 LYS 39 HG3 LYS 39 9.412 20.310 -5.380 284 HD2 LYS 39 HD2 LYS 39 8.831 22.534 -6.289 285 HD3 LYS 39 HD3 LYS 39 7.478 22.659 -5.142 286 HE2 LYS 39 HE2 LYS 39 9.070 22.509 -3.250 287 HE3 LYS 39 HE3 LYS 39 10.420 22.413 -4.398 288 HZ1 LYS 39 HZ1 LYS 39 8.544 24.657 -4.139 289 HZ2 LYS 39 HZ2 LYS 39 9.794 24.570 -5.211 290 HZ3 LYS 39 HZ3 LYS 39 10.099 24.628 -3.591 291 H TYR 40 H TYR 40 7.192 17.524 -8.461 292 HA TYR 40 HA TYR 40 4.546 18.211 -9.181 293 HB2 TYR 40 HB2 TYR 40 6.321 17.752 -10.824 294 HB3 TYR 40 HB3 TYR 40 6.313 16.050 -10.343 295 HD1 TYR 40 HD1 TYR 40 4.138 18.772 -11.668 296 HD2 TYR 40 HD2 TYR 40 4.800 14.552 -11.365 297 HE1 TYR 40 HE1 TYR 40 2.246 18.385 -13.218 298 HE2 TYR 40 HE2 TYR 40 2.911 14.132 -12.922 299 HH TYR 40 HH TYR 40 0.989 16.828 -14.333 300 H ASP 41 H ASP 41 2.654 17.283 -8.948 301 HA ASP 41 HA ASP 41 2.416 15.262 -6.918 302 HB2 ASP 41 HB2 ASP 41 0.889 17.203 -6.966 303 HB3 ASP 41 HB3 ASP 41 0.330 16.737 -8.584 304 H GLU 42 H GLU 42 2.451 13.283 -7.193 305 HA GLU 42 HA GLU 42 1.216 11.881 -9.409 306 HB2 GLU 42 HB2 GLU 42 4.060 11.290 -8.546 307 HB3 GLU 42 HB3 GLU 42 3.052 10.293 -9.617 308 HG2 GLU 42 HG2 GLU 42 2.907 12.170 -11.224 309 HG3 GLU 42 HG3 GLU 42 3.909 13.160 -10.141 310 H GLU 43 H GLU 43 1.538 9.338 -8.609 311 HA GLU 43 HA GLU 43 0.064 9.074 -6.245 312 HB2 GLU 43 HB2 GLU 43 0.070 7.400 -8.081 313 HB3 GLU 43 HB3 GLU 43 1.757 7.003 -7.704 314 HG2 GLU 43 HG2 GLU 43 0.213 5.381 -6.679 315 HG3 GLU 43 HG3 GLU 43 1.093 6.284 -5.435 316 H TRP 44 H TRP 44 3.603 8.746 -6.945 317 HA TRP 44 HA TRP 44 4.319 7.868 -4.340 318 HB2 TRP 44 HB2 TRP 44 6.581 8.282 -4.917 319 HB3 TRP 44 HB3 TRP 44 5.754 7.338 -6.151 320 HD1 TRP 44 HD1 TRP 44 5.319 8.526 -8.522 321 HE1 TRP 44 HE1 TRP 44 6.617 10.347 -9.744 322 HE3 TRP 44 HE3 TRP 44 7.848 10.480 -4.548 323 HZ2 TRP 44 HZ2 TRP 44 8.615 12.345 -9.088 324 HZ3 TRP 44 HZ3 TRP 44 9.470 12.322 -4.874 325 HH2 TRP 44 HH2 TRP 44 9.893 13.211 -7.151 326 H TYR 45 H TYR 45 5.310 8.886 -2.624 327 HA TYR 45 HA TYR 45 4.113 11.420 -2.040 328 HB2 TYR 45 HB2 TYR 45 6.176 9.801 -0.495 329 HB3 TYR 45 HB3 TYR 45 5.365 11.259 0.088 330 HD1 TYR 45 HD1 TYR 45 4.890 7.693 -0.816 331 HD2 TYR 45 HD2 TYR 45 3.056 11.236 0.789 332 HE1 TYR 45 HE1 TYR 45 2.973 6.336 -0.025 333 HE2 TYR 45 HE2 TYR 45 1.130 9.889 1.578 334 HH TYR 45 HH TYR 45 0.949 6.341 1.049 335 HA PRO 46 HA PRO 46 7.300 13.915 -3.825 336 HB2 PRO 46 HB2 PRO 46 5.999 15.961 -2.041 337 HB3 PRO 46 HB3 PRO 46 6.458 16.112 -3.769 338 HG2 PRO 46 HG2 PRO 46 3.876 15.691 -3.102 339 HG3 PRO 46 HG3 PRO 46 4.611 14.748 -4.445 340 HD2 PRO 46 HD2 PRO 46 4.173 13.887 -1.574 341 HD3 PRO 46 HD3 PRO 46 3.842 12.994 -3.094 342 H GLU 47 H GLU 47 6.797 13.935 -0.254 343 HA GLU 47 HA GLU 47 9.387 15.090 0.203 344 HB2 GLU 47 HB2 GLU 47 7.534 15.302 1.886 345 HB3 GLU 47 HB3 GLU 47 7.577 13.545 2.116 346 HG2 GLU 47 HG2 GLU 47 9.956 13.699 2.812 347 HG3 GLU 47 HG3 GLU 47 9.912 15.453 2.566 348 H GLU 48 H GLU 48 11.314 13.864 0.226 349 HA GLU 48 HA GLU 48 10.975 10.957 -0.029 350 HB2 GLU 48 HB2 GLU 48 13.221 12.760 -0.818 351 HB3 GLU 48 HB3 GLU 48 13.403 10.996 -0.682 352 HG2 GLU 48 HG2 GLU 48 11.549 10.737 -2.323 353 HG3 GLU 48 HG3 GLU 48 11.445 12.506 -2.464 354 H LEU 49 H LEU 49 11.616 9.583 1.406 355 HA LEU 49 HA LEU 49 12.122 10.330 4.047 356 HB2 LEU 49 HB2 LEU 49 12.645 7.668 2.665 357 HB3 LEU 49 HB3 LEU 49 12.448 7.935 4.408 358 HG LEU 49 HG LEU 49 10.316 8.430 2.278 359 HD11 LEU 49 1HD1 LEU 49 10.591 6.259 4.396 360 HD12 LEU 49 2HD1 LEU 49 9.214 6.469 3.290 361 HD13 LEU 49 3HD1 LEU 49 10.814 6.041 2.645 362 HD21 LEU 49 3HD2 LEU 49 10.207 8.587 5.322 363 HD22 LEU 49 1HD2 LEU 49 10.050 9.955 4.192 364 HD23 LEU 49 2HD2 LEU 49 8.802 8.694 4.236 365 H LEU 50 H LEU 50 14.398 9.042 1.540 366 HA LEU 50 HA LEU 50 16.609 8.893 3.281 367 HB2 LEU 50 HB2 LEU 50 16.512 9.146 0.269 368 HB3 LEU 50 HB3 LEU 50 17.977 8.835 1.220 369 HG LEU 50 HG LEU 50 15.504 7.049 1.250 370 HD11 LEU 50 1HD1 LEU 50 18.186 6.706 -0.159 371 HD12 LEU 50 2HD1 LEU 50 16.854 5.525 -0.135 372 HD13 LEU 50 3HD1 LEU 50 16.644 7.088 -0.958 373 HD21 LEU 50 3HD2 LEU 50 18.323 6.687 2.354 374 HD22 LEU 50 1HD2 LEU 50 16.831 6.870 3.310 375 HD23 LEU 50 2HD2 LEU 50 17.068 5.427 2.308 376 H THR 51 H THR 51 15.466 11.521 1.091 377 HA THR 51 HA THR 51 17.815 13.091 1.730 378 HB THR 51 HB THR 51 16.771 14.722 0.230 379 HG1 THR 51 HG1 THR 51 14.626 14.096 0.609 380 HG21 THR 51 1HG2 THR 51 16.924 11.888 -0.885 381 HG22 THR 51 2HG2 THR 51 17.084 13.394 -1.815 382 HG23 THR 51 3HG2 THR 51 18.321 12.955 -0.614 383 H ASP 52 H ASP 52 17.588 13.234 4.028 384 HA ASP 52 HA ASP 52 15.267 14.751 4.942 385 HB2 ASP 52 HB2 ASP 52 15.955 12.897 6.380 386 HB3 ASP 52 HB3 ASP 52 17.600 13.553 6.486 387 H GLY 53 H GLY 53 15.395 16.799 4.422 388 HA2 GLY 53 HA2 GLY 53 15.973 18.937 4.792 389 HA3 GLY 53 HA3 GLY 53 17.550 18.426 5.405 390 H GLU 54 H GLU 54 17.596 16.692 2.641 391 HA GLU 54 HA GLU 54 19.199 18.608 1.266 392 HB2 GLU 54 HB2 GLU 54 18.173 15.942 0.296 393 HB3 GLU 54 HB3 GLU 54 19.428 16.935 -0.460 394 HG2 GLU 54 HG2 GLU 54 20.845 16.713 1.532 395 HG3 GLU 54 HG3 GLU 54 19.571 15.804 2.366 396 H ASP 55 H ASP 55 15.888 17.292 0.875 397 HA ASP 55 HA ASP 55 15.272 18.411 -1.600 398 HB2 ASP 55 HB2 ASP 55 13.496 17.788 0.812 399 HB3 ASP 55 HB3 ASP 55 12.884 18.266 -0.780 400 H ASP 56 H ASP 56 14.822 19.534 1.787 401 HA ASP 56 HA ASP 56 14.249 21.443 2.756 402 HB2 ASP 56 HB2 ASP 56 16.483 22.076 1.900 403 HB3 ASP 56 HB3 ASP 56 15.722 22.737 0.443 404 H VAL 57 H VAL 57 12.164 20.258 1.294 405 HA VAL 57 HA VAL 57 10.826 22.536 0.004 406 HB VAL 57 HB VAL 57 10.140 19.574 0.043 407 HG11 VAL 57 1HG1 VAL 57 8.795 21.951 -1.319 408 HG12 VAL 57 2HG1 VAL 57 8.394 20.241 -1.609 409 HG13 VAL 57 3HG1 VAL 57 8.106 20.961 -0.011 410 HG21 VAL 57 3HG2 VAL 57 11.104 21.428 -2.180 411 HG22 VAL 57 1HG2 VAL 57 12.082 20.175 -1.385 412 HG23 VAL 57 2HG2 VAL 57 10.673 19.711 -2.365 413 H PHE 58 H PHE 58 10.408 19.813 2.377 414 HA PHE 58 HA PHE 58 8.017 20.848 3.483 415 HB2 PHE 58 HB2 PHE 58 9.741 18.547 4.168 416 HB3 PHE 58 HB3 PHE 58 8.494 19.150 5.281 417 HD1 PHE 58 HD1 PHE 58 8.969 18.197 1.676 418 HD2 PHE 58 HD2 PHE 58 6.233 18.640 4.963 419 HE1 PHE 58 HE1 PHE 58 7.133 17.304 0.272 420 HE2 PHE 58 HE2 PHE 58 4.405 17.722 3.564 421 HZ PHE 58 HZ PHE 58 4.851 17.063 1.214 422 H ASP 59 H ASP 59 11.379 21.403 4.596 423 HA ASP 59 HA ASP 59 10.492 22.480 7.055 424 HB2 ASP 59 HB2 ASP 59 13.034 23.164 5.576 425 HB3 ASP 59 HB3 ASP 59 12.658 23.496 7.279 426 HA PRO 60 HA PRO 60 10.189 26.765 5.256 427 HB2 PRO 60 HB2 PRO 60 10.229 27.391 2.609 428 HB3 PRO 60 HB3 PRO 60 11.741 27.172 3.567 429 HG2 PRO 60 HG2 PRO 60 10.311 25.119 1.839 430 HG3 PRO 60 HG3 PRO 60 12.051 25.561 1.802 431 HD2 PRO 60 HD2 PRO 60 11.156 23.392 3.193 432 HD3 PRO 60 HD3 PRO 60 12.467 24.422 3.839 433 H ASP 61 H ASP 61 8.520 24.108 3.707 434 HA ASP 61 HA ASP 61 6.420 23.733 3.087 435 HB2 ASP 61 HB2 ASP 61 6.113 24.068 5.525 436 HB3 ASP 61 HB3 ASP 61 5.642 25.747 5.197 437 H LEU 62 H LEU 62 7.711 25.325 1.271 438 HA LEU 62 HA LEU 62 5.646 27.271 0.489 439 HB2 LEU 62 HB2 LEU 62 7.885 28.289 0.693 440 HB3 LEU 62 HB3 LEU 62 8.578 27.015 -0.325 441 HG LEU 62 HG LEU 62 7.136 27.761 -2.219 442 HD11 LEU 62 1HD1 LEU 62 6.395 30.014 -0.300 443 HD12 LEU 62 2HD1 LEU 62 6.012 29.974 -2.038 444 HD13 LEU 62 3HD1 LEU 62 5.288 28.777 -0.946 445 HD21 LEU 62 3HD2 LEU 62 8.840 29.943 -0.952 446 HD22 LEU 62 1HD2 LEU 62 9.440 28.602 -1.957 447 HD23 LEU 62 2HD2 LEU 62 8.381 29.840 -2.670 448 H ASP 63 H ASP 63 4.322 26.491 -1.134 449 HA ASP 63 HA ASP 63 5.447 24.368 -2.843 450 HB2 ASP 63 HB2 ASP 63 3.589 23.496 -1.440 451 HB3 ASP 63 HB3 ASP 63 2.530 24.790 -2.039 452 H MET 64 H MET 64 5.605 25.068 -4.973 453 HA MET 64 HA MET 64 3.964 27.412 -5.700 454 HB2 MET 64 HB2 MET 64 6.693 26.637 -6.762 455 HB3 MET 64 HB3 MET 64 5.662 27.927 -7.421 456 HG2 MET 64 HG2 MET 64 5.750 29.154 -5.348 457 HG3 MET 64 HG3 MET 64 6.557 27.819 -4.518 458 HE1 MET 64 HE1 MET 64 8.785 26.771 -6.247 459 HE2 MET 64 HE2 MET 64 10.149 27.822 -5.799 460 HE3 MET 64 HE3 MET 64 9.004 27.270 -4.554 461 H GLU 65 H GLU 65 2.319 26.721 -6.918 462 HA GLU 65 HA GLU 65 2.206 24.199 -8.157 463 HB2 GLU 65 HB2 GLU 65 0.457 26.590 -8.680 464 HB3 GLU 65 HB3 GLU 65 0.194 24.925 -9.249 465 HG2 GLU 65 HG2 GLU 65 0.193 24.143 -6.880 466 HG3 GLU 65 HG3 GLU 65 0.341 25.829 -6.344 467 H VAL 66 H VAL 66 3.036 27.422 -9.456 468 HA VAL 66 HA VAL 66 2.943 26.734 -12.168 469 HB VAL 66 HB VAL 66 4.646 28.796 -10.747 470 HG11 VAL 66 1HG1 VAL 66 3.805 28.489 -13.662 471 HG12 VAL 66 2HG1 VAL 66 4.655 29.895 -12.977 472 HG13 VAL 66 3HG1 VAL 66 5.457 28.310 -13.022 473 HG21 VAL 66 3HG2 VAL 66 1.898 28.965 -12.058 474 HG22 VAL 66 1HG2 VAL 66 2.234 29.085 -10.315 475 HG23 VAL 66 2HG2 VAL 66 2.826 30.343 -11.420 476 H VAL 67 H VAL 67 5.638 26.528 -9.725 477 HA VAL 67 HA VAL 67 7.621 25.767 -11.568 478 HB VAL 67 HB VAL 67 7.399 25.202 -8.612 479 HG11 VAL 67 1HG1 VAL 67 9.758 25.055 -10.537 480 HG12 VAL 67 2HG1 VAL 67 9.861 24.907 -8.767 481 HG13 VAL 67 3HG1 VAL 67 8.991 23.679 -9.709 482 HG21 VAL 67 3HG2 VAL 67 8.801 27.394 -10.202 483 HG22 VAL 67 1HG2 VAL 67 7.373 27.605 -9.161 484 HG23 VAL 67 2HG2 VAL 67 8.934 27.148 -8.447 485 H PHE 68 H PHE 68 5.426 23.658 -9.470 486 HA PHE 68 HA PHE 68 6.617 21.342 -10.679 487 HB2 PHE 68 HB2 PHE 68 5.368 19.957 -9.543 488 HB3 PHE 68 HB3 PHE 68 5.780 21.241 -8.427 489 HD1 PHE 68 HD1 PHE 68 3.035 19.636 -10.319 490 HD2 PHE 68 HD2 PHE 68 4.085 22.518 -7.312 491 HE1 PHE 68 HE1 PHE 68 0.692 19.668 -9.543 492 HE2 PHE 68 HE2 PHE 68 1.736 22.550 -6.531 493 HZ PHE 68 HZ PHE 68 0.034 21.130 -7.647 494 H GLU 69 H GLU 69 3.691 23.173 -11.581 495 HA GLU 69 HA GLU 69 3.057 21.100 -13.489 496 HB2 GLU 69 HB2 GLU 69 1.765 23.784 -13.136 497 HB3 GLU 69 HB3 GLU 69 1.215 22.470 -14.192 498 HG2 GLU 69 HG2 GLU 69 0.920 21.001 -12.232 499 HG3 GLU 69 HG3 GLU 69 1.532 22.278 -11.165 500 H THR 70 H THR 70 4.989 20.974 -14.526 501 HA THR 70 HA THR 70 6.002 22.942 -16.259 502 HB THR 70 HB THR 70 6.143 19.914 -16.339 503 HG1 THR 70 HG1 THR 70 8.127 20.329 -15.269 504 HG21 THR 70 1HG2 THR 70 7.879 22.075 -17.614 505 HG22 THR 70 2HG2 THR 70 8.218 20.328 -17.637 506 HG23 THR 70 3HG2 THR 70 6.788 20.965 -18.480 507 H GLN 71 H GLN 71 3.523 20.345 -16.454 508 HA GLN 71 HA GLN 71 2.953 20.686 -19.252 509 HB2 GLN 71 HB2 GLN 71 0.759 19.383 -18.435 510 HB3 GLN 71 HB3 GLN 71 2.287 18.604 -18.830 511 HG2 GLN 71 HG2 GLN 71 1.679 17.545 -16.884 512 HG3 GLN 71 HG3 GLN 71 2.869 18.724 -16.329 513 HE21 GLN 71 1HE2 GLN 71 2.200 20.383 -14.930 514 HE22 GLN 71 2HE2 GLN 71 0.592 20.460 -14.249 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -13.170 -11.214 -14.886 2 H2 GLY 1 H2 GLY 1 -13.003 -10.120 -13.600 3 H3 GLY 1 H3 GLY 1 -11.873 -10.129 -14.865 4 HA2 GLY 1 HA3 GLY 1 -11.195 -11.217 -12.697 5 HA3 GLY 1 HA2 GLY 1 -12.314 -12.510 -13.192 6 H SER 2 H SER 2 -9.285 -12.234 -12.883 7 HA SER 2 HA SER 2 -8.591 -13.328 -15.521 8 HB2 SER 2 HB2 SER 2 -6.346 -12.393 -15.312 9 HB3 SER 2 HB3 SER 2 -7.557 -11.090 -15.332 10 HG SER 2 HG SER 2 -5.992 -10.827 -13.674 11 H THR 3 H THR 3 -6.983 -15.001 -15.440 12 HA THR 3 HA THR 3 -7.118 -16.509 -12.971 13 HB THR 3 HB THR 3 -5.772 -17.194 -15.574 14 HG1 THR 3 HG1 THR 3 -7.651 -18.494 -15.778 15 HG21 THR 3 1HG2 THR 3 -6.512 -18.850 -13.124 16 HG22 THR 3 2HG2 THR 3 -5.811 -19.478 -14.635 17 HG23 THR 3 3HG2 THR 3 -4.863 -18.381 -13.604 18 H ALA 4 H ALA 4 -6.044 -15.013 -11.664 19 HA ALA 4 HA ALA 4 -3.161 -14.715 -12.132 20 HB1 ALA 4 HB1 ALA 4 -5.009 -13.114 -10.302 21 HB2 ALA 4 HB2 ALA 4 -3.255 -12.879 -10.491 22 HB3 ALA 4 HB3 ALA 4 -4.350 -12.543 -11.854 23 H MET 5 H MET 5 -1.853 -15.523 -10.415 24 HA MET 5 HA MET 5 -2.935 -17.613 -8.867 25 HB2 MET 5 HB2 MET 5 -0.797 -17.883 -7.907 26 HB3 MET 5 HB3 MET 5 -0.513 -17.409 -9.599 27 HG2 MET 5 HG2 MET 5 -0.384 -15.550 -7.196 28 HG3 MET 5 HG3 MET 5 1.011 -16.244 -8.057 29 HE1 MET 5 HE1 MET 5 2.072 -13.889 -8.150 30 HE2 MET 5 HE2 MET 5 1.250 -12.454 -8.807 31 HE3 MET 5 HE3 MET 5 0.657 -13.212 -7.310 32 H ALA 6 H ALA 6 -3.812 -17.752 -7.030 33 HA ALA 6 HA ALA 6 -4.894 -17.273 -5.162 34 HB1 ALA 6 HB1 ALA 6 -2.528 -15.461 -4.632 35 HB2 ALA 6 HB2 ALA 6 -3.734 -15.997 -3.438 36 HB3 ALA 6 HB3 ALA 6 -2.661 -17.186 -4.213 37 H THR 7 H THR 7 -5.559 -15.669 -7.586 38 HA THR 7 HA THR 7 -6.785 -13.969 -8.263 39 HB THR 7 HB THR 7 -8.744 -13.442 -7.057 40 HG1 THR 7 HG1 THR 7 -7.820 -13.432 -4.961 41 HG21 THR 7 1HG2 THR 7 -7.985 -16.388 -6.905 42 HG22 THR 7 2HG2 THR 7 -9.641 -15.736 -6.906 43 HG23 THR 7 3HG2 THR 7 -8.610 -15.545 -8.343 44 H THR 8 H THR 8 -4.275 -13.096 -7.553 45 HA THR 8 HA THR 8 -4.430 -10.788 -5.877 46 HB THR 8 HB THR 8 -2.369 -11.597 -7.932 47 HG1 THR 8 HG1 THR 8 -2.687 -13.068 -6.191 48 HG21 THR 8 1HG2 THR 8 -2.262 -9.612 -5.630 49 HG22 THR 8 2HG2 THR 8 -0.898 -10.076 -6.674 50 HG23 THR 8 3HG2 THR 8 -2.287 -9.199 -7.360 51 H MET 9 H MET 9 -4.745 -8.634 -6.463 52 HA MET 9 HA MET 9 -6.190 -8.233 -8.924 53 HB2 MET 9 HB2 MET 9 -6.701 -7.068 -6.682 54 HB3 MET 9 HB3 MET 9 -5.298 -6.038 -7.054 55 HG2 MET 9 HG2 MET 9 -7.311 -4.964 -7.932 56 HG3 MET 9 HG3 MET 9 -6.328 -5.542 -9.298 57 HE1 MET 9 HE1 MET 9 -8.245 -5.340 -11.007 58 HE2 MET 9 HE2 MET 9 -9.892 -5.962 -10.745 59 HE3 MET 9 HE3 MET 9 -9.267 -4.642 -9.728 60 H GLU 10 H GLU 10 -5.370 -7.434 -10.752 61 HA GLU 10 HA GLU 10 -2.597 -7.430 -11.232 62 HB2 GLU 10 HB2 GLU 10 -4.837 -6.375 -12.965 63 HB3 GLU 10 HB3 GLU 10 -3.169 -6.737 -13.469 64 HG2 GLU 10 HG2 GLU 10 -3.506 -9.111 -12.807 65 HG3 GLU 10 HG3 GLU 10 -5.189 -8.734 -12.368 66 H GLN 11 H GLN 11 -4.792 -4.555 -10.782 67 HA GLN 11 HA GLN 11 -2.661 -2.863 -11.725 68 HB2 GLN 11 HB2 GLN 11 -3.816 -0.931 -10.889 69 HB3 GLN 11 HB3 GLN 11 -4.839 -1.924 -11.956 70 HG2 GLN 11 HG2 GLN 11 -5.013 -2.521 -9.045 71 HG3 GLN 11 HG3 GLN 11 -5.669 -0.953 -9.571 72 HE21 GLN 11 1HE2 GLN 11 -7.830 -1.271 -9.435 73 HE22 GLN 11 2HE2 GLN 11 -8.699 -2.519 -10.299 74 H GLU 12 H GLU 12 -1.589 -1.232 -10.664 75 HA GLU 12 HA GLU 12 -0.338 -2.189 -8.260 76 HB2 GLU 12 HB2 GLU 12 0.200 0.339 -9.851 77 HB3 GLU 12 HB3 GLU 12 1.241 -0.405 -8.613 78 HG2 GLU 12 HG2 GLU 12 1.397 -2.434 -10.105 79 HG3 GLU 12 HG3 GLU 12 0.570 -1.483 -11.362 80 H ILE 13 H ILE 13 -1.979 -2.135 -6.775 81 HA ILE 13 HA ILE 13 -3.329 0.340 -6.112 82 HB ILE 13 HB ILE 13 -4.540 -0.927 -4.482 83 HG12 ILE 13 2HG1 ILE 13 -4.428 -3.446 -4.625 84 HG13 ILE 13 3HG1 ILE 13 -2.846 -3.258 -5.418 85 HG21 ILE 13 1HG2 ILE 13 -4.361 -2.201 -7.251 86 HG22 ILE 13 2HG2 ILE 13 -5.749 -2.322 -6.144 87 HG23 ILE 13 3HG2 ILE 13 -5.299 -0.746 -6.839 88 HD11 ILE 13 3HD1 ILE 13 -1.996 -2.069 -3.439 89 HD12 ILE 13 1HD1 ILE 13 -3.578 -2.257 -2.646 90 HD13 ILE 13 2HD1 ILE 13 -2.594 -3.693 -3.023 91 H CYS 14 H CYS 14 -0.288 -0.786 -4.960 92 HA CYS 14 HA CYS 14 -0.650 -0.036 -2.250 93 HB2 CYS 14 HB2 CYS 14 1.299 -1.378 -2.968 94 HB3 CYS 14 HB3 CYS 14 1.970 0.088 -3.724 95 H ALA 15 H ALA 15 -0.085 1.808 -1.164 96 HA ALA 15 HA ALA 15 -1.083 4.186 -2.244 97 HB1 ALA 15 HB1 ALA 15 0.656 3.741 0.212 98 HB2 ALA 15 HB2 ALA 15 -0.277 5.211 -0.160 99 HB3 ALA 15 HB3 ALA 15 -1.121 3.679 0.167 100 H HIS 16 H HIS 16 2.321 3.101 -1.698 101 HA HIS 16 HA HIS 16 3.496 5.563 -2.359 102 HB2 HIS 16 HB2 HIS 16 4.578 2.752 -2.496 103 HB3 HIS 16 HB3 HIS 16 5.532 4.220 -2.811 104 HD2 HIS 16 HD2 HIS 16 6.771 5.256 -0.685 105 HE1 HIS 16 HE1 HIS 16 4.444 3.369 2.307 106 H SER 17 H SER 17 2.581 2.753 -4.495 107 HA SER 17 HA SER 17 2.030 4.112 -6.757 108 HB2 SER 17 HB2 SER 17 3.995 3.852 -8.244 109 HB3 SER 17 HB3 SER 17 4.236 5.103 -7.001 110 HG SER 17 HG SER 17 6.037 3.713 -7.226 111 H MET 18 H MET 18 4.207 1.384 -5.792 112 HA MET 18 HA MET 18 3.294 -0.251 -7.970 113 HB2 MET 18 HB2 MET 18 5.108 -0.990 -5.681 114 HB3 MET 18 HB3 MET 18 4.891 -1.839 -7.231 115 HG2 MET 18 HG2 MET 18 5.743 0.200 -8.397 116 HG3 MET 18 HG3 MET 18 6.089 0.913 -6.803 117 HE1 MET 18 HE1 MET 18 8.556 1.327 -7.599 118 HE2 MET 18 HE2 MET 18 9.619 0.055 -8.245 119 HE3 MET 18 HE3 MET 18 8.189 0.573 -9.167 120 H THR 19 H THR 19 3.207 -2.741 -7.309 121 HA THR 19 HA THR 19 0.480 -3.050 -6.469 122 HB THR 19 HB THR 19 2.623 -5.071 -7.251 123 HG1 THR 19 HG1 THR 19 2.074 -3.531 -8.875 124 HG21 THR 19 1HG2 THR 19 -0.404 -5.325 -7.160 125 HG22 THR 19 2HG2 THR 19 0.736 -6.556 -7.752 126 HG23 THR 19 3HG2 THR 19 0.738 -6.095 -6.033 127 H PHE 20 H PHE 20 -0.061 -4.796 -4.821 128 HA PHE 20 HA PHE 20 0.906 -4.249 -2.277 129 HB2 PHE 20 HB2 PHE 20 -1.365 -5.136 -2.857 130 HB3 PHE 20 HB3 PHE 20 -0.628 -6.633 -3.476 131 HD1 PHE 20 HD2 PHE 20 -1.311 -4.628 -0.432 132 HD2 PHE 20 HD1 PHE 20 0.059 -8.383 -2.013 133 HE1 PHE 20 HE2 PHE 20 -1.439 -5.630 1.833 134 HE2 PHE 20 HE1 PHE 20 -0.067 -9.385 0.251 135 HZ PHE 20 HZ PHE 20 -0.817 -8.007 2.177 136 H GLU 21 H GLU 21 1.573 -6.863 -4.670 137 HA GLU 21 HA GLU 21 3.281 -8.461 -3.118 138 HB2 GLU 21 HB2 GLU 21 2.042 -9.133 -5.204 139 HB3 GLU 21 HB3 GLU 21 3.118 -8.073 -6.142 140 HG2 GLU 21 HG2 GLU 21 5.054 -9.390 -5.507 141 HG3 GLU 21 HG3 GLU 21 4.068 -10.380 -4.405 142 H GLU 22 H GLU 22 3.788 -5.616 -5.232 143 HA GLU 22 HA GLU 22 6.678 -5.716 -5.016 144 HB2 GLU 22 HB2 GLU 22 4.801 -3.863 -6.536 145 HB3 GLU 22 HB3 GLU 22 6.578 -3.843 -6.613 146 HG2 GLU 22 HG2 GLU 22 4.839 -6.214 -7.380 147 HG3 GLU 22 HG3 GLU 22 5.530 -5.041 -8.526 148 H CYS 23 H CYS 23 4.446 -4.814 -2.823 149 HA CYS 23 HA CYS 23 4.881 -2.169 -2.229 150 HB2 CYS 23 HB2 CYS 23 3.123 -3.545 -1.179 151 HB3 CYS 23 HB3 CYS 23 4.377 -4.363 -0.215 152 HG CYS 23 HG CYS 23 3.147 -2.588 1.247 153 HA PRO 24 HA PRO 24 8.573 -3.208 0.588 154 HB2 PRO 24 HB2 PRO 24 10.368 -5.092 -0.194 155 HB3 PRO 24 HB3 PRO 24 9.085 -5.386 1.004 156 HG2 PRO 24 HG2 PRO 24 9.108 -6.041 -1.976 157 HG3 PRO 24 HG3 PRO 24 8.537 -7.055 -0.629 158 HD2 PRO 24 HD2 PRO 24 6.785 -5.614 -2.152 159 HD3 PRO 24 HD3 PRO 24 6.514 -5.868 -0.412 160 H LYS 25 H LYS 25 8.741 -3.612 -2.979 161 HA LYS 25 HA LYS 25 11.179 -2.178 -3.292 162 HB2 LYS 25 HB2 LYS 25 9.008 -2.636 -5.330 163 HB3 LYS 25 HB3 LYS 25 10.643 -1.999 -5.625 164 HG2 LYS 25 HG2 LYS 25 11.571 -4.130 -4.641 165 HG3 LYS 25 HG3 LYS 25 9.909 -4.761 -4.573 166 HD2 LYS 25 HD2 LYS 25 10.970 -5.551 -6.618 167 HD3 LYS 25 HD3 LYS 25 9.716 -4.363 -7.046 168 HE2 LYS 25 HE2 LYS 25 11.766 -3.982 -8.348 169 HE3 LYS 25 HE3 LYS 25 11.452 -2.613 -7.255 170 HZ1 LYS 25 HZ1 LYS 25 13.332 -4.804 -6.758 171 HZ2 LYS 25 HZ2 LYS 25 13.730 -3.275 -7.232 172 HZ3 LYS 25 HZ3 LYS 25 13.046 -3.528 -5.752 173 H CYS 26 H CYS 26 7.860 -1.151 -2.666 174 HA CYS 26 HA CYS 26 7.890 1.369 -3.870 175 HB2 CYS 26 HB2 CYS 26 6.418 0.281 -1.454 176 HB3 CYS 26 HB3 CYS 26 6.154 1.899 -2.148 177 HG CYS 26 HG CYS 26 4.224 0.321 -2.807 178 H SER 27 H SER 27 9.186 0.117 -0.772 179 HA SER 27 HA SER 27 9.614 2.548 0.561 180 HB2 SER 27 HB2 SER 27 11.158 -0.059 0.750 181 HB3 SER 27 HB3 SER 27 11.215 1.288 1.910 182 HG SER 27 HG SER 27 9.745 -0.357 2.533 183 H ALA 28 H ALA 28 11.539 0.706 -1.871 184 HA ALA 28 HA ALA 28 13.912 2.256 -1.609 185 HB1 ALA 28 HB1 ALA 28 12.899 0.657 -3.986 186 HB2 ALA 28 HB2 ALA 28 14.536 1.325 -3.783 187 HB3 ALA 28 HB3 ALA 28 13.956 0.044 -2.692 188 H LEU 29 H LEU 29 14.447 4.161 -2.708 189 HA LEU 29 HA LEU 29 12.227 5.579 -3.950 190 HB2 LEU 29 HB2 LEU 29 14.724 6.322 -2.508 191 HB3 LEU 29 HB3 LEU 29 14.206 7.392 -3.832 192 HG LEU 29 HG LEU 29 11.923 7.481 -2.770 193 HD11 LEU 29 1HD1 LEU 29 13.319 6.101 -0.460 194 HD12 LEU 29 2HD1 LEU 29 11.690 6.816 -0.428 195 HD13 LEU 29 3HD1 LEU 29 12.025 5.411 -1.467 196 HD21 LEU 29 3HD2 LEU 29 14.275 8.382 -1.060 197 HD22 LEU 29 1HD2 LEU 29 13.593 9.265 -2.446 198 HD23 LEU 29 2HD2 LEU 29 12.620 9.029 -0.975 199 H GLN 30 H GLN 30 14.049 3.433 -5.346 200 HA GLN 30 HA GLN 30 15.619 4.647 -7.267 201 HB2 GLN 30 HB2 GLN 30 13.912 2.120 -7.469 202 HB3 GLN 30 HB3 GLN 30 15.226 2.568 -8.579 203 HG2 GLN 30 HG2 GLN 30 16.830 2.535 -6.699 204 HG3 GLN 30 HG3 GLN 30 15.525 2.084 -5.586 205 HE21 GLN 30 2HE2 GLN 30 18.087 0.688 -6.571 206 HE22 GLN 30 1HE2 GLN 30 17.539 -0.896 -7.073 207 H TYR 31 H TYR 31 12.096 3.783 -7.349 208 HA TYR 31 HA TYR 31 11.674 4.603 -10.020 209 HB2 TYR 31 HB2 TYR 31 9.346 4.391 -9.603 210 HB3 TYR 31 HB3 TYR 31 10.209 3.001 -8.938 211 HD1 TYR 31 HD1 TYR 31 8.300 6.061 -8.130 212 HD2 TYR 31 HD2 TYR 31 10.319 2.599 -6.567 213 HE1 TYR 31 HE1 TYR 31 7.263 6.445 -5.910 214 HE2 TYR 31 HE2 TYR 31 9.253 2.948 -4.384 215 HH TYR 31 HH TYR 31 7.846 4.299 -3.117 216 H ARG 32 H ARG 32 11.473 6.426 -6.948 217 HA ARG 32 HA ARG 32 10.223 8.707 -8.039 218 HB2 ARG 32 HB2 ARG 32 12.075 8.502 -5.635 219 HB3 ARG 32 HB3 ARG 32 11.078 9.904 -6.087 220 HG2 ARG 32 HG2 ARG 32 9.050 8.370 -6.005 221 HG3 ARG 32 HG3 ARG 32 10.115 7.131 -5.301 222 HD2 ARG 32 HD2 ARG 32 10.725 8.845 -3.514 223 HD3 ARG 32 HD3 ARG 32 9.433 9.868 -4.161 224 HE ARG 32 HE ARG 32 8.282 7.356 -3.728 225 HH11 ARG 32 2HH1 ARG 32 9.875 9.856 -1.789 226 HH12 ARG 32 1HH1 ARG 32 9.007 9.452 -0.325 227 HH21 ARG 32 2HH2 ARG 32 7.155 6.830 -1.801 228 HH22 ARG 32 1HH2 ARG 32 7.459 7.729 -0.333 229 H ASN 33 H ASN 33 13.652 7.714 -7.634 230 HA ASN 33 HA ASN 33 14.797 10.184 -8.387 231 HB2 ASN 33 HB2 ASN 33 15.929 7.361 -8.479 232 HB3 ASN 33 HB3 ASN 33 16.862 8.852 -8.725 233 HD21 ASN 33 1HD2 ASN 33 16.944 6.688 -6.574 234 HD22 ASN 33 2HD2 ASN 33 16.831 7.568 -5.066 235 H GLY 34 H GLY 34 15.857 10.783 -10.312 236 HA2 GLY 34 HA2 GLY 34 16.401 10.578 -12.538 237 HA3 GLY 34 HA3 GLY 34 15.300 9.201 -12.696 238 H PHE 35 H PHE 35 13.538 11.484 -10.942 239 HA PHE 35 HA PHE 35 12.242 12.462 -13.366 240 HB2 PHE 35 HB2 PHE 35 11.222 12.180 -10.562 241 HB3 PHE 35 HB3 PHE 35 10.459 13.227 -11.777 242 HD1 PHE 35 HD1 PHE 35 11.470 9.688 -11.095 243 HD2 PHE 35 HD2 PHE 35 9.220 12.364 -13.600 244 HE1 PHE 35 HE1 PHE 35 10.410 7.751 -12.223 245 HE2 PHE 35 HE2 PHE 35 8.170 10.423 -14.728 246 HZ PHE 35 HZ PHE 35 8.766 8.115 -14.038 247 H TYR 36 H TYR 36 11.914 14.520 -13.829 248 HA TYR 36 HA TYR 36 13.954 16.321 -13.233 249 HB2 TYR 36 HB2 TYR 36 12.750 16.257 -15.353 250 HB3 TYR 36 HB3 TYR 36 11.216 16.582 -14.540 251 HD1 TYR 36 HD1 TYR 36 14.639 18.162 -14.541 252 HD2 TYR 36 HD2 TYR 36 10.387 18.694 -14.918 253 HE1 TYR 36 HE1 TYR 36 14.975 20.599 -14.858 254 HE2 TYR 36 HE2 TYR 36 10.711 21.129 -15.238 255 HH TYR 36 HH TYR 36 13.971 22.631 -15.215 256 H LEU 37 H LEU 37 10.521 16.348 -11.930 257 HA LEU 37 HA LEU 37 11.651 18.154 -9.880 258 HB2 LEU 37 HB2 LEU 37 8.921 18.435 -11.147 259 HB3 LEU 37 HB3 LEU 37 9.473 19.294 -9.700 260 HG LEU 37 HG LEU 37 10.822 19.476 -12.425 261 HD11 LEU 37 1HD1 LEU 37 8.948 21.428 -11.030 262 HD12 LEU 37 2HD1 LEU 37 9.751 21.680 -12.596 263 HD13 LEU 37 3HD1 LEU 37 8.514 20.414 -12.428 264 HD21 LEU 37 3HD2 LEU 37 11.119 21.110 -9.864 265 HD22 LEU 37 1HD2 LEU 37 12.328 19.991 -10.536 266 HD23 LEU 37 2HD2 LEU 37 11.911 21.472 -11.416 267 H LEU 38 H LEU 38 11.453 17.435 -7.910 268 HA LEU 38 HA LEU 38 10.065 15.051 -7.252 269 HB2 LEU 38 HB2 LEU 38 11.327 17.185 -5.513 270 HB3 LEU 38 HB3 LEU 38 10.653 15.659 -4.922 271 HG LEU 38 HG LEU 38 12.955 15.901 -6.903 272 HD11 LEU 38 1HD1 LEU 38 12.878 15.138 -3.949 273 HD12 LEU 38 2HD1 LEU 38 14.319 15.110 -4.992 274 HD13 LEU 38 3HD1 LEU 38 13.526 16.656 -4.614 275 HD21 LEU 38 3HD2 LEU 38 11.723 13.496 -5.480 276 HD22 LEU 38 1HD2 LEU 38 11.689 13.813 -7.232 277 HD23 LEU 38 2HD2 LEU 38 13.228 13.463 -6.425 278 H LYS 39 H LYS 39 9.447 18.533 -6.889 279 HA LYS 39 HA LYS 39 7.230 18.465 -5.203 280 HB2 LYS 39 HB2 LYS 39 7.965 20.454 -7.387 281 HB3 LYS 39 HB3 LYS 39 6.744 20.710 -6.131 282 HG2 LYS 39 HG2 LYS 39 8.490 20.544 -4.386 283 HG3 LYS 39 HG3 LYS 39 9.724 20.304 -5.653 284 HD2 LYS 39 HD2 LYS 39 9.116 22.482 -6.662 285 HD3 LYS 39 HD3 LYS 39 7.869 22.718 -5.419 286 HE2 LYS 39 HE2 LYS 39 9.608 22.677 -3.663 287 HE3 LYS 39 HE3 LYS 39 10.857 22.444 -4.905 288 HZ1 LYS 39 HZ1 LYS 39 10.218 24.540 -5.850 289 HZ2 LYS 39 HZ2 LYS 39 10.654 24.731 -4.271 290 HZ3 LYS 39 HZ3 LYS 39 9.061 24.758 -4.696 291 H TYR 40 H TYR 40 7.457 17.700 -8.678 292 HA TYR 40 HA TYR 40 4.849 18.416 -9.438 293 HB2 TYR 40 HB2 TYR 40 6.713 18.045 -11.000 294 HB3 TYR 40 HB3 TYR 40 6.717 16.325 -10.587 295 HD1 TYR 40 HD1 TYR 40 4.337 18.998 -11.720 296 HD2 TYR 40 HD2 TYR 40 5.530 14.877 -11.979 297 HE1 TYR 40 HE1 TYR 40 2.612 18.618 -13.458 298 HE2 TYR 40 HE2 TYR 40 3.832 14.491 -13.743 299 HH TYR 40 HH TYR 40 1.669 17.111 -14.906 300 H ASP 41 H ASP 41 2.930 17.488 -9.345 301 HA ASP 41 HA ASP 41 2.606 15.394 -7.406 302 HB2 ASP 41 HB2 ASP 41 1.100 17.368 -7.515 303 HB3 ASP 41 HB3 ASP 41 0.513 16.801 -9.089 304 H GLU 42 H GLU 42 2.527 13.473 -7.606 305 HA GLU 42 HA GLU 42 1.565 12.012 -9.910 306 HB2 GLU 42 HB2 GLU 42 4.329 11.638 -8.684 307 HB3 GLU 42 HB3 GLU 42 3.505 10.404 -9.657 308 HG2 GLU 42 HG2 GLU 42 4.141 13.219 -10.625 309 HG3 GLU 42 HG3 GLU 42 5.106 11.774 -10.984 310 H GLU 43 H GLU 43 1.684 9.536 -9.079 311 HA GLU 43 HA GLU 43 0.055 9.304 -6.812 312 HB2 GLU 43 HB2 GLU 43 1.753 7.185 -8.164 313 HB3 GLU 43 HB3 GLU 43 0.430 6.902 -7.014 314 HG2 GLU 43 HG2 GLU 43 -1.139 8.040 -8.584 315 HG3 GLU 43 HG3 GLU 43 0.186 8.218 -9.751 316 H TRP 44 H TRP 44 3.632 8.908 -7.281 317 HA TRP 44 HA TRP 44 4.073 7.970 -4.628 318 HB2 TRP 44 HB2 TRP 44 6.402 8.351 -4.956 319 HB3 TRP 44 HB3 TRP 44 5.660 7.439 -6.275 320 HD1 TRP 44 HD1 TRP 44 7.162 10.908 -5.588 321 HE1 TRP 44 HE1 TRP 44 8.003 11.875 -7.794 322 HE3 TRP 44 HE3 TRP 44 5.396 7.303 -8.744 323 HZ2 TRP 44 HZ2 TRP 44 7.920 11.158 -10.613 324 HZ3 TRP 44 HZ3 TRP 44 5.784 7.471 -11.177 325 HH2 TRP 44 HH2 TRP 44 7.029 9.391 -12.121 326 H TYR 45 H TYR 45 5.271 8.974 -2.975 327 HA TYR 45 HA TYR 45 4.142 11.501 -2.291 328 HB2 TYR 45 HB2 TYR 45 6.338 9.867 -0.939 329 HB3 TYR 45 HB3 TYR 45 5.547 11.293 -0.256 330 HD1 TYR 45 HD1 TYR 45 5.061 7.748 -1.245 331 HD2 TYR 45 HD2 TYR 45 3.337 11.180 0.690 332 HE1 TYR 45 HE1 TYR 45 3.270 6.313 -0.310 333 HE2 TYR 45 HE2 TYR 45 1.536 9.755 1.625 334 HH TYR 45 HH TYR 45 1.375 6.226 0.975 335 HA PRO 46 HA PRO 46 7.362 13.922 -4.216 336 HB2 PRO 46 HB2 PRO 46 6.141 16.018 -2.432 337 HB3 PRO 46 HB3 PRO 46 6.538 16.132 -4.178 338 HG2 PRO 46 HG2 PRO 46 3.973 15.778 -3.401 339 HG3 PRO 46 HG3 PRO 46 4.633 14.809 -4.765 340 HD2 PRO 46 HD2 PRO 46 4.303 13.979 -1.869 341 HD3 PRO 46 HD3 PRO 46 3.873 13.085 -3.364 342 H GLU 47 H GLU 47 6.786 13.875 -0.677 343 HA GLU 47 HA GLU 47 9.332 15.029 -0.050 344 HB2 GLU 47 HB2 GLU 47 7.400 15.112 1.551 345 HB3 GLU 47 HB3 GLU 47 7.477 13.346 1.695 346 HG2 GLU 47 HG2 GLU 47 9.812 13.513 2.513 347 HG3 GLU 47 HG3 GLU 47 9.748 15.276 2.340 348 H GLU 48 H GLU 48 11.261 13.874 0.002 349 HA GLU 48 HA GLU 48 11.066 10.988 -0.454 350 HB2 GLU 48 HB2 GLU 48 13.261 12.972 -0.859 351 HB3 GLU 48 HB3 GLU 48 13.560 11.214 -0.876 352 HG2 GLU 48 HG2 GLU 48 11.880 11.040 -2.726 353 HG3 GLU 48 HG3 GLU 48 11.723 12.811 -2.712 354 H LEU 49 H LEU 49 11.594 9.563 0.998 355 HA LEU 49 HA LEU 49 11.974 10.185 3.696 356 HB2 LEU 49 HB2 LEU 49 12.570 7.594 2.205 357 HB3 LEU 49 HB3 LEU 49 12.285 7.769 3.947 358 HG LEU 49 HG LEU 49 10.260 8.371 1.740 359 HD11 LEU 49 1HD1 LEU 49 10.440 6.085 3.744 360 HD12 LEU 49 2HD1 LEU 49 9.119 6.354 2.581 361 HD13 LEU 49 3HD1 LEU 49 10.754 5.967 1.996 362 HD21 LEU 49 3HD2 LEU 49 9.993 8.356 4.778 363 HD22 LEU 49 1HD2 LEU 49 9.890 9.786 3.721 364 HD23 LEU 49 2HD2 LEU 49 8.646 8.524 3.627 365 H LEU 50 H LEU 50 14.309 9.023 1.185 366 HA LEU 50 HA LEU 50 16.492 8.721 2.927 367 HB2 LEU 50 HB2 LEU 50 16.468 9.272 -0.057 368 HB3 LEU 50 HB3 LEU 50 17.861 8.720 0.893 369 HG LEU 50 HG LEU 50 15.238 7.195 0.572 370 HD11 LEU 50 1HD1 LEU 50 17.997 6.733 -0.639 371 HD12 LEU 50 2HD1 LEU 50 16.573 5.685 -0.847 372 HD13 LEU 50 3HD1 LEU 50 16.569 7.334 -1.513 373 HD21 LEU 50 3HD2 LEU 50 17.891 6.431 1.868 374 HD22 LEU 50 1HD2 LEU 50 16.339 6.672 2.706 375 HD23 LEU 50 2HD2 LEU 50 16.534 5.319 1.576 376 H THR 51 H THR 51 15.431 11.537 0.915 377 HA THR 51 HA THR 51 17.773 13.010 1.782 378 HB THR 51 HB THR 51 16.714 14.800 0.412 379 HG1 THR 51 HG1 THR 51 15.141 14.083 -1.025 380 HG21 THR 51 1HG2 THR 51 17.292 12.128 -0.947 381 HG22 THR 51 2HG2 THR 51 17.367 13.728 -1.724 382 HG23 THR 51 3HG2 THR 51 18.527 13.306 -0.442 383 H ASP 52 H ASP 52 17.448 13.034 4.056 384 HA ASP 52 HA ASP 52 15.044 14.424 4.948 385 HB2 ASP 52 HB2 ASP 52 15.739 12.493 6.286 386 HB3 ASP 52 HB3 ASP 52 17.353 13.196 6.511 387 H GLY 53 H GLY 53 15.144 16.512 4.534 388 HA2 GLY 53 HA2 GLY 53 15.654 18.642 5.033 389 HA3 GLY 53 HA3 GLY 53 17.212 18.135 5.695 390 H GLU 54 H GLU 54 17.404 16.546 2.845 391 HA GLU 54 HA GLU 54 19.053 18.534 1.645 392 HB2 GLU 54 HB2 GLU 54 18.047 15.971 0.405 393 HB3 GLU 54 HB3 GLU 54 19.398 16.964 -0.116 394 HG2 GLU 54 HG2 GLU 54 20.546 16.550 2.045 395 HG3 GLU 54 HG3 GLU 54 19.203 15.505 2.550 396 H ASP 55 H ASP 55 15.764 17.231 0.965 397 HA ASP 55 HA ASP 55 15.312 18.562 -1.453 398 HB2 ASP 55 HB2 ASP 55 13.344 17.693 0.708 399 HB3 ASP 55 HB3 ASP 55 12.883 18.313 -0.885 400 H ASP 56 H ASP 56 14.615 19.363 1.964 401 HA ASP 56 HA ASP 56 13.978 21.155 3.088 402 HB2 ASP 56 HB2 ASP 56 16.249 21.881 2.423 403 HB3 ASP 56 HB3 ASP 56 15.550 22.708 1.021 404 H VAL 57 H VAL 57 11.990 20.120 1.369 405 HA VAL 57 HA VAL 57 10.694 22.534 0.314 406 HB VAL 57 HB VAL 57 9.955 19.604 0.015 407 HG11 VAL 57 1HG1 VAL 57 8.737 22.142 -1.162 408 HG12 VAL 57 2HG1 VAL 57 8.290 20.480 -1.610 409 HG13 VAL 57 3HG1 VAL 57 7.969 21.071 0.034 410 HG21 VAL 57 3HG2 VAL 57 11.068 21.644 -1.961 411 HG22 VAL 57 1HG2 VAL 57 11.968 20.277 -1.268 412 HG23 VAL 57 2HG2 VAL 57 10.587 19.976 -2.347 413 H PHE 58 H PHE 58 10.342 19.618 2.437 414 HA PHE 58 HA PHE 58 7.881 20.409 3.595 415 HB2 PHE 58 HB2 PHE 58 9.695 18.133 4.024 416 HB3 PHE 58 HB3 PHE 58 8.449 18.567 5.222 417 HD1 PHE 58 HD1 PHE 58 8.921 17.983 1.544 418 HD2 PHE 58 HD2 PHE 58 6.164 18.152 4.839 419 HE1 PHE 58 HE1 PHE 58 7.082 17.269 0.044 420 HE2 PHE 58 HE2 PHE 58 4.329 17.420 3.341 421 HZ PHE 58 HZ PHE 58 4.786 16.985 0.941 422 H ASP 59 H ASP 59 11.187 21.123 4.775 423 HA ASP 59 HA ASP 59 10.207 21.944 7.301 424 HB2 ASP 59 HB2 ASP 59 12.697 22.924 5.878 425 HB3 ASP 59 HB3 ASP 59 12.262 23.191 7.573 426 HA PRO 60 HA PRO 60 9.574 26.315 5.540 427 HB2 PRO 60 HB2 PRO 60 9.361 25.950 2.576 428 HB3 PRO 60 HB3 PRO 60 10.112 27.303 3.490 429 HG2 PRO 60 HG2 PRO 60 11.656 25.426 2.258 430 HG3 PRO 60 HG3 PRO 60 12.081 26.036 3.892 431 HD2 PRO 60 HD2 PRO 60 10.670 23.464 3.171 432 HD3 PRO 60 HD3 PRO 60 12.000 23.732 4.321 433 H ASP 61 H ASP 61 8.135 23.521 3.899 434 HA ASP 61 HA ASP 61 6.088 22.841 3.437 435 HB2 ASP 61 HB2 ASP 61 5.908 22.998 5.917 436 HB3 ASP 61 HB3 ASP 61 5.151 24.592 5.716 437 H LEU 62 H LEU 62 7.053 24.777 1.720 438 HA LEU 62 HA LEU 62 4.632 26.343 1.130 439 HB2 LEU 62 HB2 LEU 62 7.463 26.824 0.121 440 HB3 LEU 62 HB3 LEU 62 6.026 27.794 -0.250 441 HG LEU 62 HG LEU 62 7.265 27.421 2.512 442 HD11 LEU 62 1HD1 LEU 62 7.240 29.804 0.615 443 HD12 LEU 62 2HD1 LEU 62 7.921 29.787 2.259 444 HD13 LEU 62 3HD1 LEU 62 8.647 28.779 0.987 445 HD21 LEU 62 3HD2 LEU 62 4.967 29.181 1.551 446 HD22 LEU 62 1HD2 LEU 62 4.836 27.792 2.657 447 HD23 LEU 62 2HD2 LEU 62 5.707 29.250 3.168 448 H ASP 63 H ASP 63 3.577 25.688 -0.710 449 HA ASP 63 HA ASP 63 5.004 23.808 -2.473 450 HB2 ASP 63 HB2 ASP 63 2.004 24.218 -2.127 451 HB3 ASP 63 HB3 ASP 63 2.781 23.120 -3.289 452 H MET 64 H MET 64 5.592 24.757 -4.415 453 HA MET 64 HA MET 64 4.240 27.275 -5.133 454 HB2 MET 64 HB2 MET 64 6.987 26.257 -5.959 455 HB3 MET 64 HB3 MET 64 6.224 27.771 -6.492 456 HG2 MET 64 HG2 MET 64 6.153 28.561 -4.160 457 HG3 MET 64 HG3 MET 64 6.848 27.032 -3.608 458 HE1 MET 64 HE1 MET 64 7.418 30.379 -5.516 459 HE2 MET 64 HE2 MET 64 9.091 30.223 -6.104 460 HE3 MET 64 HE3 MET 64 7.809 29.200 -6.791 461 H GLU 65 H GLU 65 2.666 26.776 -6.508 462 HA GLU 65 HA GLU 65 2.456 24.436 -8.034 463 HB2 GLU 65 HB2 GLU 65 0.982 27.068 -8.272 464 HB3 GLU 65 HB3 GLU 65 0.556 25.550 -9.095 465 HG2 GLU 65 HG2 GLU 65 0.352 24.425 -6.887 466 HG3 GLU 65 HG3 GLU 65 0.703 25.968 -6.080 467 H VAL 66 H VAL 66 3.587 27.712 -8.894 468 HA VAL 66 HA VAL 66 3.644 27.364 -11.667 469 HB VAL 66 HB VAL 66 5.360 29.113 -9.876 470 HG11 VAL 66 1HG1 VAL 66 4.722 29.240 -12.856 471 HG12 VAL 66 2HG1 VAL 66 5.601 30.484 -11.936 472 HG13 VAL 66 3HG1 VAL 66 6.309 28.868 -12.137 473 HG21 VAL 66 3HG2 VAL 66 2.734 29.638 -11.338 474 HG22 VAL 66 1HG2 VAL 66 2.941 29.510 -9.574 475 HG23 VAL 66 2HG2 VAL 66 3.690 30.855 -10.459 476 H VAL 67 H VAL 67 6.150 26.695 -9.103 477 HA VAL 67 HA VAL 67 8.218 26.069 -10.910 478 HB VAL 67 HB VAL 67 7.774 25.145 -8.069 479 HG11 VAL 67 1HG1 VAL 67 10.255 25.105 -9.837 480 HG12 VAL 67 2HG1 VAL 67 10.219 24.728 -8.097 481 HG13 VAL 67 3HG1 VAL 67 9.361 23.683 -9.248 482 HG21 VAL 67 3HG2 VAL 67 9.412 27.428 -9.247 483 HG22 VAL 67 1HG2 VAL 67 7.903 27.598 -8.320 484 HG23 VAL 67 2HG2 VAL 67 9.360 26.959 -7.531 485 H PHE 68 H PHE 68 5.809 23.868 -9.199 486 HA PHE 68 HA PHE 68 6.940 21.628 -10.604 487 HB2 PHE 68 HB2 PHE 68 5.558 20.195 -9.691 488 HB3 PHE 68 HB3 PHE 68 6.103 21.280 -8.428 489 HD1 PHE 68 HD1 PHE 68 3.194 20.241 -10.470 490 HD2 PHE 68 HD2 PHE 68 4.571 22.512 -7.092 491 HE1 PHE 68 HE1 PHE 68 0.868 20.410 -9.636 492 HE2 PHE 68 HE2 PHE 68 2.242 22.687 -6.260 493 HZ PHE 68 HZ PHE 68 0.389 21.635 -7.531 494 H GLU 69 H GLU 69 4.185 23.676 -11.471 495 HA GLU 69 HA GLU 69 3.543 21.793 -13.569 496 HB2 GLU 69 HB2 GLU 69 2.427 24.541 -13.017 497 HB3 GLU 69 HB3 GLU 69 1.801 23.356 -14.184 498 HG2 GLU 69 HG2 GLU 69 1.300 21.786 -12.373 499 HG3 GLU 69 HG3 GLU 69 2.036 22.871 -11.182 500 H THR 70 H THR 70 5.553 21.677 -14.555 501 HA THR 70 HA THR 70 6.848 23.793 -15.869 502 HB THR 70 HB THR 70 6.759 20.826 -16.491 503 HG1 THR 70 HG1 THR 70 8.652 20.844 -15.200 504 HG21 THR 70 1HG2 THR 70 8.781 23.003 -17.181 505 HG22 THR 70 2HG2 THR 70 8.987 21.265 -17.498 506 HG23 THR 70 3HG2 THR 70 7.706 22.173 -18.331 507 H GLN 71 H GLN 71 4.257 21.453 -16.770 508 HA GLN 71 HA GLN 71 4.021 22.498 -19.459 509 HB2 GLN 71 HB2 GLN 71 2.195 20.900 -19.712 510 HB3 GLN 71 HB3 GLN 71 3.693 20.111 -19.207 511 HG2 GLN 71 HG2 GLN 71 1.441 20.841 -17.292 512 HG3 GLN 71 HG3 GLN 71 1.602 19.271 -18.087 513 HE21 GLN 71 1HE2 GLN 71 2.288 20.929 -15.274 514 HE22 GLN 71 2HE2 GLN 71 3.596 19.935 -14.674 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -13.304 -10.919 -14.777 2 H2 GLY 1 H2 GLY 1 -13.112 -9.809 -13.508 3 H3 GLY 1 H3 GLY 1 -11.979 -9.869 -14.768 4 HA2 GLY 1 HA3 GLY 1 -11.338 -10.939 -12.581 5 HA3 GLY 1 HA2 GLY 1 -12.490 -12.210 -13.059 6 H SER 2 H SER 2 -9.456 -12.011 -12.742 7 HA SER 2 HA SER 2 -8.782 -13.165 -15.359 8 HB2 SER 2 HB2 SER 2 -6.513 -12.287 -15.156 9 HB3 SER 2 HB3 SER 2 -7.689 -10.952 -15.202 10 HG SER 2 HG SER 2 -6.123 -10.705 -13.541 11 H THR 3 H THR 3 -7.219 -14.879 -15.246 12 HA THR 3 HA THR 3 -7.404 -16.343 -12.753 13 HB THR 3 HB THR 3 -6.067 -17.105 -15.339 14 HG1 THR 3 HG1 THR 3 -7.980 -18.358 -15.530 15 HG21 THR 3 1HG2 THR 3 -6.861 -18.701 -12.866 16 HG22 THR 3 2HG2 THR 3 -6.171 -19.372 -14.364 17 HG23 THR 3 3HG2 THR 3 -5.197 -18.285 -13.346 18 H ALA 4 H ALA 4 -6.295 -14.855 -11.465 19 HA ALA 4 HA ALA 4 -3.404 -14.642 -11.926 20 HB1 ALA 4 HB1 ALA 4 -5.215 -12.963 -10.130 21 HB2 ALA 4 HB2 ALA 4 -3.455 -12.778 -10.315 22 HB3 ALA 4 HB3 ALA 4 -4.535 -12.435 -11.687 23 H MET 5 H MET 5 -2.124 -15.458 -10.191 24 HA MET 5 HA MET 5 -3.268 -17.492 -8.614 25 HB2 MET 5 HB2 MET 5 -1.141 -17.804 -7.641 26 HB3 MET 5 HB3 MET 5 -0.839 -17.366 -9.339 27 HG2 MET 5 HG2 MET 5 -0.668 -15.472 -6.966 28 HG3 MET 5 HG3 MET 5 0.711 -16.217 -7.810 29 HE1 MET 5 HE1 MET 5 1.835 -13.893 -7.936 30 HE2 MET 5 HE2 MET 5 1.054 -12.447 -8.619 31 HE3 MET 5 HE3 MET 5 0.435 -13.164 -7.113 32 H ALA 6 H ALA 6 -4.155 -17.578 -6.779 33 HA ALA 6 HA ALA 6 -5.230 -17.040 -4.924 34 HB1 ALA 6 HB1 ALA 6 -2.819 -15.285 -4.412 35 HB2 ALA 6 HB2 ALA 6 -4.043 -15.768 -3.215 36 HB3 ALA 6 HB3 ALA 6 -2.999 -16.998 -3.967 37 H THR 7 H THR 7 -5.843 -15.459 -7.375 38 HA THR 7 HA THR 7 -7.020 -13.737 -8.085 39 HB THR 7 HB THR 7 -8.969 -13.139 -6.895 40 HG1 THR 7 HG1 THR 7 -8.053 -13.120 -4.796 41 HG21 THR 7 1HG2 THR 7 -8.290 -16.101 -6.693 42 HG22 THR 7 2HG2 THR 7 -9.928 -15.405 -6.711 43 HG23 THR 7 3HG2 THR 7 -8.887 -15.265 -8.147 44 H THR 8 H THR 8 -4.491 -12.921 -7.378 45 HA THR 8 HA THR 8 -4.589 -10.583 -5.740 46 HB THR 8 HB THR 8 -2.543 -11.479 -7.773 47 HG1 THR 8 HG1 THR 8 -2.907 -12.914 -6.011 48 HG21 THR 8 1HG2 THR 8 -2.392 -9.461 -5.502 49 HG22 THR 8 2HG2 THR 8 -1.037 -9.978 -6.534 50 HG23 THR 8 3HG2 THR 8 -2.399 -9.076 -7.239 51 H MET 9 H MET 9 -4.845 -8.431 -6.362 52 HA MET 9 HA MET 9 -6.269 -8.031 -8.834 53 HB2 MET 9 HB2 MET 9 -6.757 -6.816 -6.614 54 HB3 MET 9 HB3 MET 9 -5.325 -5.831 -6.996 55 HG2 MET 9 HG2 MET 9 -7.305 -4.718 -7.900 56 HG3 MET 9 HG3 MET 9 -6.333 -5.343 -9.253 57 HE1 MET 9 HE1 MET 9 -8.238 -5.117 -10.973 58 HE2 MET 9 HE2 MET 9 -9.902 -5.691 -10.708 59 HE3 MET 9 HE3 MET 9 -9.245 -4.372 -9.709 60 H GLU 10 H GLU 10 -5.421 -7.283 -10.672 61 HA GLU 10 HA GLU 10 -2.647 -7.361 -11.141 62 HB2 GLU 10 HB2 GLU 10 -4.851 -6.275 -12.900 63 HB3 GLU 10 HB3 GLU 10 -3.192 -6.689 -13.390 64 HG2 GLU 10 HG2 GLU 10 -3.595 -9.043 -12.692 65 HG3 GLU 10 HG3 GLU 10 -5.269 -8.614 -12.267 66 H GLN 11 H GLN 11 -4.765 -4.422 -10.746 67 HA GLN 11 HA GLN 11 -2.586 -2.803 -11.707 68 HB2 GLN 11 HB2 GLN 11 -3.692 -0.828 -10.907 69 HB3 GLN 11 HB3 GLN 11 -4.737 -1.809 -11.961 70 HG2 GLN 11 HG2 GLN 11 -4.938 -2.355 -9.042 71 HG3 GLN 11 HG3 GLN 11 -5.550 -0.778 -9.596 72 HE21 GLN 11 1HE2 GLN 11 -7.719 -1.036 -9.464 73 HE22 GLN 11 2HE2 GLN 11 -8.619 -2.274 -10.312 74 H GLU 12 H GLU 12 -1.475 -1.185 -10.667 75 HA GLU 12 HA GLU 12 -0.259 -2.136 -8.243 76 HB2 GLU 12 HB2 GLU 12 0.352 0.351 -9.872 77 HB3 GLU 12 HB3 GLU 12 1.368 -0.401 -8.618 78 HG2 GLU 12 HG2 GLU 12 1.476 -2.457 -10.077 79 HG3 GLU 12 HG3 GLU 12 0.679 -1.504 -11.352 80 H ILE 13 H ILE 13 -1.903 -2.014 -6.766 81 HA ILE 13 HA ILE 13 -3.189 0.507 -6.148 82 HB ILE 13 HB ILE 13 -4.440 -0.701 -4.503 83 HG12 ILE 13 2HG1 ILE 13 -4.395 -3.224 -4.606 84 HG13 ILE 13 3HG1 ILE 13 -2.806 -3.091 -5.395 85 HG21 ILE 13 1HG2 ILE 13 -4.285 -2.024 -7.250 86 HG22 ILE 13 2HG2 ILE 13 -5.679 -2.090 -6.148 87 HG23 ILE 13 3HG2 ILE 13 -5.184 -0.538 -6.866 88 HD11 ILE 13 3HD1 ILE 13 -1.931 -1.894 -3.432 89 HD12 ILE 13 1HD1 ILE 13 -3.521 -2.027 -2.643 90 HD13 ILE 13 2HD1 ILE 13 -2.575 -3.494 -2.992 91 H CYS 14 H CYS 14 -0.184 -0.682 -4.966 92 HA CYS 14 HA CYS 14 -0.535 0.121 -2.270 93 HB2 CYS 14 HB2 CYS 14 1.380 -1.284 -2.958 94 HB3 CYS 14 HB3 CYS 14 2.093 0.151 -3.734 95 H ALA 15 H ALA 15 0.074 1.967 -1.211 96 HA ALA 15 HA ALA 15 -0.855 4.353 -2.333 97 HB1 ALA 15 HB1 ALA 15 0.863 3.901 0.137 98 HB2 ALA 15 HB2 ALA 15 -0.029 5.389 -0.262 99 HB3 ALA 15 HB3 ALA 15 -0.916 3.886 0.085 100 H HIS 16 H HIS 16 2.516 3.186 -1.756 101 HA HIS 16 HA HIS 16 3.760 5.605 -2.451 102 HB2 HIS 16 HB2 HIS 16 4.766 2.764 -2.538 103 HB3 HIS 16 HB3 HIS 16 5.761 4.200 -2.873 104 HD2 HIS 16 HD2 HIS 16 7.019 5.236 -0.758 105 HE1 HIS 16 HE1 HIS 16 4.631 3.461 2.254 106 H SER 17 H SER 17 2.778 2.785 -4.546 107 HA SER 17 HA SER 17 2.272 4.122 -6.832 108 HB2 SER 17 HB2 SER 17 4.234 3.787 -8.305 109 HB3 SER 17 HB3 SER 17 4.505 5.050 -7.081 110 HG SER 17 HG SER 17 6.268 3.609 -7.277 111 H MET 18 H MET 18 4.371 1.353 -5.814 112 HA MET 18 HA MET 18 3.422 -0.291 -7.969 113 HB2 MET 18 HB2 MET 18 5.207 -1.042 -5.661 114 HB3 MET 18 HB3 MET 18 4.974 -1.910 -7.198 115 HG2 MET 18 HG2 MET 18 5.884 0.087 -8.393 116 HG3 MET 18 HG3 MET 18 6.243 0.815 -6.809 117 HE1 MET 18 HE1 MET 18 8.723 1.150 -7.601 118 HE2 MET 18 HE2 MET 18 9.755 -0.160 -8.223 119 HE3 MET 18 HE3 MET 18 8.342 0.382 -9.159 120 H THR 19 H THR 19 3.267 -2.768 -7.269 121 HA THR 19 HA THR 19 0.529 -2.990 -6.436 122 HB THR 19 HB THR 19 2.620 -5.080 -7.176 123 HG1 THR 19 HG1 THR 19 2.118 -3.552 -8.826 124 HG21 THR 19 1HG2 THR 19 -0.414 -5.251 -7.093 125 HG22 THR 19 2HG2 THR 19 0.695 -6.522 -7.661 126 HG23 THR 19 3HG2 THR 19 0.703 -6.033 -5.950 127 H PHE 20 H PHE 20 -0.065 -4.694 -4.762 128 HA PHE 20 HA PHE 20 0.907 -4.132 -2.222 129 HB2 PHE 20 HB2 PHE 20 -1.385 -4.967 -2.798 130 HB3 PHE 20 HB3 PHE 20 -0.686 -6.493 -3.390 131 HD1 PHE 20 HD2 PHE 20 -1.327 -4.422 -0.381 132 HD2 PHE 20 HD1 PHE 20 -0.052 -8.237 -1.896 133 HE1 PHE 20 HE2 PHE 20 -1.490 -5.383 1.899 134 HE2 PHE 20 HE1 PHE 20 -0.214 -9.198 0.383 135 HZ PHE 20 HZ PHE 20 -0.933 -7.771 2.284 136 H GLU 21 H GLU 21 1.513 -6.801 -4.571 137 HA GLU 21 HA GLU 21 3.171 -8.419 -2.987 138 HB2 GLU 21 HB2 GLU 21 1.921 -9.091 -5.066 139 HB3 GLU 21 HB3 GLU 21 3.030 -8.075 -6.017 140 HG2 GLU 21 HG2 GLU 21 4.928 -9.434 -5.353 141 HG3 GLU 21 HG3 GLU 21 3.911 -10.379 -4.240 142 H GLU 22 H GLU 22 3.762 -5.624 -5.144 143 HA GLU 22 HA GLU 22 6.648 -5.798 -4.914 144 HB2 GLU 22 HB2 GLU 22 4.827 -3.919 -6.471 145 HB3 GLU 22 HB3 GLU 22 6.604 -3.948 -6.541 146 HG2 GLU 22 HG2 GLU 22 4.804 -6.283 -7.277 147 HG3 GLU 22 HG3 GLU 22 5.531 -5.148 -8.439 148 H CYS 23 H CYS 23 4.432 -4.800 -2.746 149 HA CYS 23 HA CYS 23 4.936 -2.159 -2.191 150 HB2 CYS 23 HB2 CYS 23 3.138 -3.470 -1.127 151 HB3 CYS 23 HB3 CYS 23 4.366 -4.305 -0.145 152 HG CYS 23 HG CYS 23 3.178 -2.475 1.284 153 HA PRO 24 HA PRO 24 8.588 -3.251 0.657 154 HB2 PRO 24 HB2 PRO 24 10.335 -5.195 -0.087 155 HB3 PRO 24 HB3 PRO 24 9.040 -5.435 1.110 156 HG2 PRO 24 HG2 PRO 24 9.057 -6.138 -1.859 157 HG3 PRO 24 HG3 PRO 24 8.454 -7.115 -0.499 158 HD2 PRO 24 HD2 PRO 24 6.746 -5.652 -2.052 159 HD3 PRO 24 HD3 PRO 24 6.462 -5.871 -0.309 160 H LYS 25 H LYS 25 8.758 -3.717 -2.902 161 HA LYS 25 HA LYS 25 11.236 -2.354 -3.228 162 HB2 LYS 25 HB2 LYS 25 9.060 -2.786 -5.267 163 HB3 LYS 25 HB3 LYS 25 10.713 -2.198 -5.566 164 HG2 LYS 25 HG2 LYS 25 11.580 -4.337 -4.544 165 HG3 LYS 25 HG3 LYS 25 9.901 -4.922 -4.473 166 HD2 LYS 25 HD2 LYS 25 10.949 -5.773 -6.501 167 HD3 LYS 25 HD3 LYS 25 9.728 -4.559 -6.953 168 HE2 LYS 25 HE2 LYS 25 11.792 -4.254 -8.252 169 HE3 LYS 25 HE3 LYS 25 11.512 -2.860 -7.182 170 HZ1 LYS 25 HZ1 LYS 25 13.330 -5.092 -6.643 171 HZ2 LYS 25 HZ2 LYS 25 13.770 -3.582 -7.139 172 HZ3 LYS 25 HZ3 LYS 25 13.074 -3.793 -5.658 173 H CYS 26 H CYS 26 7.943 -1.228 -2.633 174 HA CYS 26 HA CYS 26 8.046 1.270 -3.876 175 HB2 CYS 26 HB2 CYS 26 6.536 0.261 -1.450 176 HB3 CYS 26 HB3 CYS 26 6.318 1.874 -2.171 177 HG CYS 26 HG CYS 26 4.349 0.338 -2.812 178 H SER 27 H SER 27 9.296 0.034 -0.754 179 HA SER 27 HA SER 27 9.784 2.474 0.542 180 HB2 SER 27 HB2 SER 27 11.257 -0.171 0.779 181 HB3 SER 27 HB3 SER 27 11.346 1.193 1.918 182 HG SER 27 HG SER 27 9.830 -0.401 2.561 183 H ALA 28 H ALA 28 11.667 0.542 -1.852 184 HA ALA 28 HA ALA 28 14.080 2.032 -1.605 185 HB1 ALA 28 HB1 ALA 28 13.034 0.423 -3.960 186 HB2 ALA 28 HB2 ALA 28 14.687 1.050 -3.761 187 HB3 ALA 28 HB3 ALA 28 14.069 -0.198 -2.653 188 H LEU 29 H LEU 29 14.670 3.903 -2.732 189 HA LEU 29 HA LEU 29 12.494 5.361 -4.006 190 HB2 LEU 29 HB2 LEU 29 15.005 6.059 -2.565 191 HB3 LEU 29 HB3 LEU 29 14.521 7.121 -3.908 192 HG LEU 29 HG LEU 29 12.237 7.289 -2.858 193 HD11 LEU 29 1HD1 LEU 29 13.587 5.909 -0.520 194 HD12 LEU 29 2HD1 LEU 29 11.978 6.668 -0.506 195 HD13 LEU 29 3HD1 LEU 29 12.279 5.238 -1.521 196 HD21 LEU 29 3HD2 LEU 29 14.606 8.154 -1.153 197 HD22 LEU 29 1HD2 LEU 29 13.953 9.033 -2.556 198 HD23 LEU 29 2HD2 LEU 29 12.968 8.846 -1.084 199 H GLN 30 H GLN 30 14.317 3.145 -5.387 200 HA GLN 30 HA GLN 30 15.917 4.428 -7.267 201 HB2 GLN 30 HB2 GLN 30 14.309 1.858 -7.576 202 HB3 GLN 30 HB3 GLN 30 15.636 2.391 -8.633 203 HG2 GLN 30 HG2 GLN 30 17.180 2.381 -6.696 204 HG3 GLN 30 HG3 GLN 30 15.861 1.830 -5.646 205 HE21 GLN 30 2HE2 GLN 30 18.549 0.732 -7.113 206 HE22 GLN 30 1HE2 GLN 30 18.081 -0.915 -7.472 207 H TYR 31 H TYR 31 12.426 3.533 -7.420 208 HA TYR 31 HA TYR 31 12.040 4.366 -10.082 209 HB2 TYR 31 HB2 TYR 31 10.629 2.719 -8.999 210 HB3 TYR 31 HB3 TYR 31 10.126 3.901 -7.786 211 HD1 TYR 31 HD1 TYR 31 10.312 3.727 -11.545 212 HD2 TYR 31 HD2 TYR 31 8.004 4.760 -8.067 213 HE1 TYR 31 HE1 TYR 31 8.425 4.403 -13.005 214 HE2 TYR 31 HE2 TYR 31 6.107 5.428 -9.513 215 HH TYR 31 HH TYR 31 6.284 5.227 -13.094 216 H ARG 32 H ARG 32 11.751 6.167 -6.969 217 HA ARG 32 HA ARG 32 10.500 8.443 -8.070 218 HB2 ARG 32 HB2 ARG 32 12.269 8.178 -5.610 219 HB3 ARG 32 HB3 ARG 32 11.349 9.624 -6.079 220 HG2 ARG 32 HG2 ARG 32 9.259 8.189 -6.104 221 HG3 ARG 32 HG3 ARG 32 10.228 6.889 -5.371 222 HD2 ARG 32 HD2 ARG 32 10.811 8.457 -3.498 223 HD3 ARG 32 HD3 ARG 32 9.760 9.678 -4.232 224 HE ARG 32 HE ARG 32 8.169 7.415 -3.973 225 HH11 ARG 32 2HH1 ARG 32 10.051 9.484 -1.799 226 HH12 ARG 32 1HH1 ARG 32 8.998 9.219 -0.428 227 HH21 ARG 32 2HH2 ARG 32 6.795 7.071 -2.170 228 HH22 ARG 32 1HH2 ARG 32 7.143 7.843 -0.640 229 H ASN 33 H ASN 33 13.943 7.541 -7.616 230 HA ASN 33 HA ASN 33 15.032 10.042 -8.331 231 HB2 ASN 33 HB2 ASN 33 16.241 7.249 -8.449 232 HB3 ASN 33 HB3 ASN 33 17.138 8.768 -8.643 233 HD21 ASN 33 1HD2 ASN 33 17.442 6.651 -6.580 234 HD22 ASN 33 2HD2 ASN 33 17.207 7.445 -5.039 235 H GLY 34 H GLY 34 16.126 10.682 -10.227 236 HA2 GLY 34 HA2 GLY 34 16.729 10.579 -12.413 237 HA3 GLY 34 HA3 GLY 34 15.765 9.114 -12.631 238 H PHE 35 H PHE 35 13.807 11.414 -10.980 239 HA PHE 35 HA PHE 35 12.571 12.151 -13.538 240 HB2 PHE 35 HB2 PHE 35 11.372 11.861 -10.817 241 HB3 PHE 35 HB3 PHE 35 10.612 12.786 -12.133 242 HD1 PHE 35 HD1 PHE 35 11.889 9.402 -11.196 243 HD2 PHE 35 HD2 PHE 35 9.722 11.741 -14.082 244 HE1 PHE 35 HE1 PHE 35 11.196 7.326 -12.369 245 HE2 PHE 35 HE2 PHE 35 9.027 9.663 -15.244 246 HZ PHE 35 HZ PHE 35 9.763 7.455 -14.382 247 H TYR 36 H TYR 36 11.845 14.212 -13.969 248 HA TYR 36 HA TYR 36 13.819 16.131 -13.624 249 HB2 TYR 36 HB2 TYR 36 12.338 16.046 -15.564 250 HB3 TYR 36 HB3 TYR 36 10.917 16.284 -14.541 251 HD1 TYR 36 HD1 TYR 36 14.035 17.943 -15.749 252 HD2 TYR 36 HD2 TYR 36 10.165 18.437 -13.944 253 HE1 TYR 36 HE1 TYR 36 14.224 20.401 -16.029 254 HE2 TYR 36 HE2 TYR 36 10.341 20.892 -14.216 255 HH TYR 36 HH TYR 36 13.217 22.439 -15.707 256 H LEU 37 H LEU 37 10.549 16.110 -11.900 257 HA LEU 37 HA LEU 37 11.999 17.801 -9.994 258 HB2 LEU 37 HB2 LEU 37 10.980 19.439 -11.450 259 HB3 LEU 37 HB3 LEU 37 9.404 18.656 -11.270 260 HG LEU 37 HG LEU 37 9.403 19.168 -8.859 261 HD11 LEU 37 1HD1 LEU 37 12.014 20.628 -9.478 262 HD12 LEU 37 2HD1 LEU 37 11.096 20.762 -7.959 263 HD13 LEU 37 3HD1 LEU 37 11.836 19.213 -8.414 264 HD21 LEU 37 3HD2 LEU 37 10.035 21.589 -10.600 265 HD22 LEU 37 1HD2 LEU 37 8.504 20.691 -10.629 266 HD23 LEU 37 2HD2 LEU 37 9.000 21.558 -9.150 267 H LEU 38 H LEU 38 11.693 17.190 -8.039 268 HA LEU 38 HA LEU 38 10.158 14.941 -7.352 269 HB2 LEU 38 HB2 LEU 38 11.495 17.052 -5.638 270 HB3 LEU 38 HB3 LEU 38 10.773 15.552 -5.030 271 HG LEU 38 HG LEU 38 13.070 15.696 -7.029 272 HD11 LEU 38 1HD1 LEU 38 13.003 14.991 -4.061 273 HD12 LEU 38 2HD1 LEU 38 14.431 14.906 -5.119 274 HD13 LEU 38 3HD1 LEU 38 13.684 16.478 -4.760 275 HD21 LEU 38 3HD2 LEU 38 11.779 13.357 -5.550 276 HD22 LEU 38 1HD2 LEU 38 11.736 13.643 -7.307 277 HD23 LEU 38 2HD2 LEU 38 13.273 13.259 -6.510 278 H LYS 39 H LYS 39 9.633 18.459 -6.983 279 HA LYS 39 HA LYS 39 7.420 18.385 -5.290 280 HB2 LYS 39 HB2 LYS 39 8.175 20.429 -7.406 281 HB3 LYS 39 HB3 LYS 39 6.961 20.650 -6.139 282 HG2 LYS 39 HG2 LYS 39 8.701 20.409 -4.402 283 HG3 LYS 39 HG3 LYS 39 9.934 20.191 -5.672 284 HD2 LYS 39 HD2 LYS 39 9.373 22.406 -6.611 285 HD3 LYS 39 HD3 LYS 39 8.116 22.625 -5.375 286 HE2 LYS 39 HE2 LYS 39 9.828 22.512 -3.602 287 HE3 LYS 39 HE3 LYS 39 11.090 22.282 -4.831 288 HZ1 LYS 39 HZ1 LYS 39 9.344 24.630 -4.587 289 HZ2 LYS 39 HZ2 LYS 39 10.511 24.415 -5.732 290 HZ3 LYS 39 HZ3 LYS 39 10.931 24.556 -4.144 291 H TYR 40 H TYR 40 7.622 17.648 -8.771 292 HA TYR 40 HA TYR 40 5.008 18.407 -9.491 293 HB2 TYR 40 HB2 TYR 40 6.774 17.970 -11.137 294 HB3 TYR 40 HB3 TYR 40 6.782 16.258 -10.680 295 HD1 TYR 40 HD1 TYR 40 4.583 18.974 -12.002 296 HD2 TYR 40 HD2 TYR 40 5.249 14.746 -11.644 297 HE1 TYR 40 HE1 TYR 40 2.722 18.556 -13.585 298 HE2 TYR 40 HE2 TYR 40 3.399 14.308 -13.235 299 HH TYR 40 HH TYR 40 1.502 16.978 -14.712 300 H ASP 41 H ASP 41 3.075 17.546 -9.254 301 HA ASP 41 HA ASP 41 2.802 15.411 -7.336 302 HB2 ASP 41 HB2 ASP 41 1.382 17.435 -7.197 303 HB3 ASP 41 HB3 ASP 41 0.733 17.098 -8.813 304 H GLU 42 H GLU 42 2.645 13.421 -7.755 305 HA GLU 42 HA GLU 42 1.119 12.328 -9.907 306 HB2 GLU 42 HB2 GLU 42 2.759 10.925 -10.902 307 HB3 GLU 42 HB3 GLU 42 2.964 12.644 -11.255 308 HG2 GLU 42 HG2 GLU 42 4.759 12.744 -9.502 309 HG3 GLU 42 HG3 GLU 42 4.644 10.973 -9.360 310 H GLU 43 H GLU 43 1.976 9.658 -9.656 311 HA GLU 43 HA GLU 43 0.448 8.905 -7.465 312 HB2 GLU 43 HB2 GLU 43 2.562 7.341 -9.010 313 HB3 GLU 43 HB3 GLU 43 1.322 6.645 -7.948 314 HG2 GLU 43 HG2 GLU 43 -0.443 7.645 -9.402 315 HG3 GLU 43 HG3 GLU 43 0.823 8.224 -10.504 316 H TRP 44 H TRP 44 4.096 8.969 -7.716 317 HA TRP 44 HA TRP 44 4.330 7.894 -5.063 318 HB2 TRP 44 HB2 TRP 44 6.637 8.286 -5.127 319 HB3 TRP 44 HB3 TRP 44 6.113 7.459 -6.583 320 HD1 TRP 44 HD1 TRP 44 7.491 10.843 -5.420 321 HE1 TRP 44 HE1 TRP 44 8.678 11.951 -7.385 322 HE3 TRP 44 HE3 TRP 44 6.104 7.585 -9.087 323 HZ2 TRP 44 HZ2 TRP 44 9.048 11.427 -10.226 324 HZ3 TRP 44 HZ3 TRP 44 6.891 7.901 -11.409 325 HH2 TRP 44 HH2 TRP 44 8.352 9.809 -11.986 326 H TYR 45 H TYR 45 5.438 8.918 -3.278 327 HA TYR 45 HA TYR 45 4.163 11.433 -2.713 328 HB2 TYR 45 HB2 TYR 45 6.134 9.790 -1.086 329 HB3 TYR 45 HB3 TYR 45 5.380 11.295 -0.553 330 HD1 TYR 45 HD1 TYR 45 4.747 7.736 -1.387 331 HD2 TYR 45 HD2 TYR 45 3.077 11.406 0.109 332 HE1 TYR 45 HE1 TYR 45 2.758 6.495 -0.584 333 HE2 TYR 45 HE2 TYR 45 1.082 10.176 0.918 334 HH TYR 45 HH TYR 45 0.732 6.631 0.489 335 HA PRO 46 HA PRO 46 7.485 13.861 -4.353 336 HB2 PRO 46 HB2 PRO 46 6.215 15.936 -2.582 337 HB3 PRO 46 HB3 PRO 46 6.704 16.082 -4.302 338 HG2 PRO 46 HG2 PRO 46 4.099 15.743 -3.668 339 HG3 PRO 46 HG3 PRO 46 4.819 14.796 -5.016 340 HD2 PRO 46 HD2 PRO 46 4.316 13.909 -2.164 341 HD3 PRO 46 HD3 PRO 46 3.974 13.051 -3.701 342 H GLU 47 H GLU 47 6.850 13.745 -0.819 343 HA GLU 47 HA GLU 47 9.376 14.901 -0.155 344 HB2 GLU 47 HB2 GLU 47 7.445 14.854 1.455 345 HB3 GLU 47 HB3 GLU 47 7.573 13.086 1.517 346 HG2 GLU 47 HG2 GLU 47 9.900 13.280 2.346 347 HG3 GLU 47 HG3 GLU 47 9.790 15.046 2.249 348 H GLU 48 H GLU 48 11.346 13.830 -0.159 349 HA GLU 48 HA GLU 48 11.233 10.932 -0.628 350 HB2 GLU 48 HB2 GLU 48 13.432 12.898 -1.130 351 HB3 GLU 48 HB3 GLU 48 13.670 11.138 -1.125 352 HG2 GLU 48 HG2 GLU 48 11.911 10.978 -2.907 353 HG3 GLU 48 HG3 GLU 48 11.860 12.755 -2.960 354 H LEU 49 H LEU 49 11.883 9.548 0.796 355 HA LEU 49 HA LEU 49 12.312 10.190 3.471 356 HB2 LEU 49 HB2 LEU 49 13.018 7.638 1.958 357 HB3 LEU 49 HB3 LEU 49 12.755 7.793 3.705 358 HG LEU 49 HG LEU 49 10.662 8.272 1.533 359 HD11 LEU 49 1HD1 LEU 49 11.000 6.018 3.553 360 HD12 LEU 49 2HD1 LEU 49 9.650 6.202 2.409 361 HD13 LEU 49 3HD1 LEU 49 11.293 5.900 1.802 362 HD21 LEU 49 3HD2 LEU 49 10.446 8.270 4.575 363 HD22 LEU 49 1HD2 LEU 49 10.246 9.681 3.509 364 HD23 LEU 49 2HD2 LEU 49 9.073 8.351 3.446 365 H LEU 50 H LEU 50 14.619 9.190 0.872 366 HA LEU 50 HA LEU 50 16.881 9.011 2.541 367 HB2 LEU 50 HB2 LEU 50 16.671 9.492 -0.439 368 HB3 LEU 50 HB3 LEU 50 18.175 9.151 0.438 369 HG LEU 50 HG LEU 50 15.754 7.297 0.402 370 HD11 LEU 50 1HD1 LEU 50 18.387 7.159 -1.127 371 HD12 LEU 50 2HD1 LEU 50 17.108 5.921 -1.136 372 HD13 LEU 50 3HD1 LEU 50 16.797 7.527 -1.833 373 HD21 LEU 50 3HD2 LEU 50 18.619 6.927 1.376 374 HD22 LEU 50 1HD2 LEU 50 17.162 6.996 2.396 375 HD23 LEU 50 2HD2 LEU 50 17.394 5.640 1.276 376 H THR 51 H THR 51 15.572 11.765 0.591 377 HA THR 51 HA THR 51 17.866 13.370 1.361 378 HB THR 51 HB THR 51 16.817 15.092 0.051 379 HG1 THR 51 HG1 THR 51 15.012 14.536 -1.188 380 HG21 THR 51 1HG2 THR 51 16.997 12.404 -1.372 381 HG22 THR 51 2HG2 THR 51 17.125 14.002 -2.143 382 HG23 THR 51 3HG2 THR 51 18.376 13.466 -0.997 383 H ASP 52 H ASP 52 17.711 13.394 3.637 384 HA ASP 52 HA ASP 52 15.295 14.587 4.738 385 HB2 ASP 52 HB2 ASP 52 16.294 12.729 5.995 386 HB3 ASP 52 HB3 ASP 52 17.848 13.583 6.071 387 H GLY 53 H GLY 53 15.186 16.671 4.327 388 HA2 GLY 53 HA2 GLY 53 15.537 18.839 4.783 389 HA3 GLY 53 HA3 GLY 53 17.151 18.465 5.397 390 H GLU 54 H GLU 54 17.330 16.897 2.500 391 HA GLU 54 HA GLU 54 18.844 18.970 1.290 392 HB2 GLU 54 HB2 GLU 54 17.806 16.557 -0.172 393 HB3 GLU 54 HB3 GLU 54 19.266 17.475 -0.457 394 HG2 GLU 54 HG2 GLU 54 18.770 15.724 1.986 395 HG3 GLU 54 HG3 GLU 54 19.791 15.311 0.598 396 H ASP 55 H ASP 55 15.583 17.542 0.724 397 HA ASP 55 HA ASP 55 14.941 18.964 -1.594 398 HB2 ASP 55 HB2 ASP 55 13.144 17.874 0.622 399 HB3 ASP 55 HB3 ASP 55 12.562 18.533 -0.915 400 H ASP 56 H ASP 56 14.342 19.541 1.890 401 HA ASP 56 HA ASP 56 13.578 21.216 3.122 402 HB2 ASP 56 HB2 ASP 56 15.796 22.106 2.548 403 HB3 ASP 56 HB3 ASP 56 15.077 22.977 1.180 404 H VAL 57 H VAL 57 11.650 20.167 1.391 405 HA VAL 57 HA VAL 57 10.192 22.547 0.464 406 HB VAL 57 HB VAL 57 9.662 19.599 -0.029 407 HG11 VAL 57 1HG1 VAL 57 8.295 22.121 -1.070 408 HG12 VAL 57 2HG1 VAL 57 7.966 20.464 -1.627 409 HG13 VAL 57 3HG1 VAL 57 7.583 20.930 0.044 410 HG21 VAL 57 3HG2 VAL 57 10.676 21.827 -1.846 411 HG22 VAL 57 1HG2 VAL 57 11.638 20.462 -1.242 412 HG23 VAL 57 2HG2 VAL 57 10.286 20.168 -2.358 413 H PHE 58 H PHE 58 10.017 19.475 2.379 414 HA PHE 58 HA PHE 58 7.500 20.039 3.554 415 HB2 PHE 58 HB2 PHE 58 9.449 17.847 3.908 416 HB3 PHE 58 HB3 PHE 58 8.067 18.101 5.004 417 HD1 PHE 58 HD1 PHE 58 8.958 17.742 1.381 418 HD2 PHE 58 HD2 PHE 58 5.835 17.673 4.337 419 HE1 PHE 58 HE1 PHE 58 7.331 17.033 -0.351 420 HE2 PHE 58 HE2 PHE 58 4.212 16.951 2.606 421 HZ PHE 58 HZ PHE 58 4.958 16.639 0.259 422 H ASP 59 H ASP 59 10.743 20.837 4.802 423 HA ASP 59 HA ASP 59 9.765 21.378 7.392 424 HB2 ASP 59 HB2 ASP 59 12.130 22.662 5.997 425 HB3 ASP 59 HB3 ASP 59 11.776 22.683 7.737 426 HA PRO 60 HA PRO 60 8.733 25.762 6.173 427 HB2 PRO 60 HB2 PRO 60 8.705 26.768 3.645 428 HB3 PRO 60 HB3 PRO 60 10.215 26.665 4.624 429 HG2 PRO 60 HG2 PRO 60 9.188 24.683 2.561 430 HG3 PRO 60 HG3 PRO 60 10.828 25.406 2.662 431 HD2 PRO 60 HD2 PRO 60 10.295 22.936 3.692 432 HD3 PRO 60 HD3 PRO 60 11.397 24.068 4.531 433 H ASP 61 H ASP 61 7.547 23.130 4.196 434 HA ASP 61 HA ASP 61 5.549 22.499 3.456 435 HB2 ASP 61 HB2 ASP 61 5.148 22.348 5.880 436 HB3 ASP 61 HB3 ASP 61 4.411 23.961 5.829 437 H LEU 62 H LEU 62 6.559 24.468 1.943 438 HA LEU 62 HA LEU 62 4.215 26.140 1.329 439 HB2 LEU 62 HB2 LEU 62 6.199 27.514 1.811 440 HB3 LEU 62 HB3 LEU 62 7.169 26.545 0.688 441 HG LEU 62 HG LEU 62 5.666 27.256 -1.183 442 HD11 LEU 62 1HD1 LEU 62 4.482 29.084 0.952 443 HD12 LEU 62 2HD1 LEU 62 4.162 29.197 -0.794 444 HD13 LEU 62 3HD1 LEU 62 3.632 27.765 0.111 445 HD21 LEU 62 3HD2 LEU 62 6.924 29.514 0.426 446 HD22 LEU 62 1HD2 LEU 62 7.775 28.438 -0.708 447 HD23 LEU 62 2HD2 LEU 62 6.535 29.560 -1.311 448 H ASP 63 H ASP 63 3.170 25.491 -0.520 449 HA ASP 63 HA ASP 63 4.632 23.672 -2.322 450 HB2 ASP 63 HB2 ASP 63 2.670 22.555 -1.352 451 HB3 ASP 63 HB3 ASP 63 1.632 23.917 -1.821 452 H MET 64 H MET 64 5.068 24.636 -4.291 453 HA MET 64 HA MET 64 3.526 27.065 -4.951 454 HB2 MET 64 HB2 MET 64 6.390 26.380 -5.681 455 HB3 MET 64 HB3 MET 64 5.471 27.760 -6.323 456 HG2 MET 64 HG2 MET 64 5.222 28.708 -4.117 457 HG3 MET 64 HG3 MET 64 5.913 27.270 -3.357 458 HE1 MET 64 HE1 MET 64 8.398 26.452 -4.861 459 HE2 MET 64 HE2 MET 64 9.659 27.423 -4.069 460 HE3 MET 64 HE3 MET 64 8.347 26.708 -3.102 461 H GLU 65 H GLU 65 2.129 26.592 -6.445 462 HA GLU 65 HA GLU 65 2.016 24.262 -7.993 463 HB2 GLU 65 HB2 GLU 65 0.621 26.938 -8.390 464 HB3 GLU 65 HB3 GLU 65 0.222 25.419 -9.225 465 HG2 GLU 65 HG2 GLU 65 -0.215 24.339 -7.030 466 HG3 GLU 65 HG3 GLU 65 0.121 25.880 -6.215 467 H VAL 66 H VAL 66 3.115 27.581 -8.746 468 HA VAL 66 HA VAL 66 3.427 27.285 -11.507 469 HB VAL 66 HB VAL 66 4.862 29.112 -9.563 470 HG11 VAL 66 1HG1 VAL 66 4.474 29.237 -12.586 471 HG12 VAL 66 2HG1 VAL 66 5.184 30.526 -11.583 472 HG13 VAL 66 3HG1 VAL 66 6.014 28.963 -11.735 473 HG21 VAL 66 3HG2 VAL 66 2.339 29.479 -11.237 474 HG22 VAL 66 1HG2 VAL 66 2.407 29.344 -9.464 475 HG23 VAL 66 2HG2 VAL 66 3.134 30.747 -10.275 476 H VAL 67 H VAL 67 5.755 26.691 -8.770 477 HA VAL 67 HA VAL 67 7.986 26.211 -10.424 478 HB VAL 67 HB VAL 67 7.375 25.232 -7.637 479 HG11 VAL 67 1HG1 VAL 67 9.981 25.333 -9.211 480 HG12 VAL 67 2HG1 VAL 67 9.833 24.940 -7.481 481 HG13 VAL 67 3HG1 VAL 67 9.119 23.862 -8.697 482 HG21 VAL 67 3HG2 VAL 67 8.963 27.611 -8.689 483 HG22 VAL 67 1HG2 VAL 67 7.399 27.688 -7.842 484 HG23 VAL 67 2HG2 VAL 67 8.847 27.117 -6.984 485 H PHE 68 H PHE 68 5.545 23.849 -8.989 486 HA PHE 68 HA PHE 68 6.909 21.708 -10.349 487 HB2 PHE 68 HB2 PHE 68 5.572 20.186 -9.569 488 HB3 PHE 68 HB3 PHE 68 5.905 21.276 -8.239 489 HD1 PHE 68 HD1 PHE 68 3.310 20.016 -10.546 490 HD2 PHE 68 HD2 PHE 68 4.149 22.416 -7.081 491 HE1 PHE 68 HE1 PHE 68 0.903 20.000 -9.951 492 HE2 PHE 68 HE2 PHE 68 1.742 22.405 -6.490 493 HZ PHE 68 HZ PHE 68 0.117 21.196 -7.923 494 H GLU 69 H GLU 69 4.115 23.653 -11.347 495 HA GLU 69 HA GLU 69 3.777 21.866 -13.603 496 HB2 GLU 69 HB2 GLU 69 2.375 24.465 -12.944 497 HB3 GLU 69 HB3 GLU 69 1.952 23.332 -14.248 498 HG2 GLU 69 HG2 GLU 69 1.480 21.575 -12.595 499 HG3 GLU 69 HG3 GLU 69 1.980 22.649 -11.278 500 H THR 70 H THR 70 6.034 22.128 -14.227 501 HA THR 70 HA THR 70 7.061 24.505 -15.342 502 HB THR 70 HB THR 70 7.717 21.587 -15.817 503 HG1 THR 70 HG1 THR 70 9.320 22.071 -14.255 504 HG21 THR 70 1HG2 THR 70 9.311 24.132 -16.345 505 HG22 THR 70 2HG2 THR 70 9.927 22.471 -16.515 506 HG23 THR 70 3HG2 THR 70 8.631 23.049 -17.584 507 H GLN 71 H GLN 71 5.185 21.727 -16.537 508 HA GLN 71 HA GLN 71 5.239 22.373 -19.305 509 HB2 GLN 71 HB2 GLN 71 3.018 20.787 -17.985 510 HB3 GLN 71 HB3 GLN 71 3.693 20.644 -19.613 511 HG2 GLN 71 HG2 GLN 71 4.657 18.802 -18.641 512 HG3 GLN 71 HG3 GLN 71 5.909 19.995 -18.250 513 HE21 GLN 71 1HE2 GLN 71 2.846 18.550 -17.016 514 HE22 GLN 71 2HE2 GLN 71 3.291 18.579 -15.323 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -13.067 -10.526 -15.367 2 H2 GLY 1 H2 GLY 1 -12.900 -9.469 -14.051 3 H3 GLY 1 H3 GLY 1 -11.743 -9.477 -15.291 4 HA2 GLY 1 HA3 GLY 1 -11.142 -10.635 -13.138 5 HA3 GLY 1 HA2 GLY 1 -12.283 -11.886 -13.689 6 H SER 2 H SER 2 -9.256 -11.698 -13.307 7 HA SER 2 HA SER 2 -8.532 -12.744 -15.956 8 HB2 SER 2 HB2 SER 2 -6.268 -11.875 -15.675 9 HB3 SER 2 HB3 SER 2 -7.445 -10.540 -15.688 10 HG SER 2 HG SER 2 -5.911 -10.360 -13.991 11 H THR 3 H THR 3 -6.970 -14.462 -15.883 12 HA THR 3 HA THR 3 -7.199 -16.026 -13.456 13 HB THR 3 HB THR 3 -5.813 -16.682 -16.046 14 HG1 THR 3 HG1 THR 3 -7.721 -17.926 -16.322 15 HG21 THR 3 1HG2 THR 3 -6.651 -18.377 -13.655 16 HG22 THR 3 2HG2 THR 3 -5.933 -18.987 -15.165 17 HG23 THR 3 3HG2 THR 3 -4.980 -17.941 -14.086 18 H ALA 4 H ALA 4 -6.116 -14.591 -12.089 19 HA ALA 4 HA ALA 4 -3.217 -14.358 -12.487 20 HB1 ALA 4 HB1 ALA 4 -5.063 -12.754 -10.657 21 HB2 ALA 4 HB2 ALA 4 -3.300 -12.561 -10.802 22 HB3 ALA 4 HB3 ALA 4 -4.354 -12.163 -12.179 23 H MET 5 H MET 5 -1.969 -15.243 -10.762 24 HA MET 5 HA MET 5 -3.139 -17.341 -9.291 25 HB2 MET 5 HB2 MET 5 -1.030 -17.690 -8.292 26 HB3 MET 5 HB3 MET 5 -0.697 -17.183 -9.965 27 HG2 MET 5 HG2 MET 5 -0.573 -15.388 -7.514 28 HG3 MET 5 HG3 MET 5 0.823 -16.097 -8.361 29 HE1 MET 5 HE1 MET 5 1.946 -13.770 -8.372 30 HE2 MET 5 HE2 MET 5 1.177 -12.297 -9.011 31 HE3 MET 5 HE3 MET 5 0.530 -13.076 -7.546 32 H ALA 6 H ALA 6 -4.060 -17.501 -7.478 33 HA ALA 6 HA ALA 6 -5.171 -17.040 -5.622 34 HB1 ALA 6 HB1 ALA 6 -2.771 -15.305 -4.995 35 HB2 ALA 6 HB2 ALA 6 -4.016 -15.838 -3.842 36 HB3 ALA 6 HB3 ALA 6 -2.958 -17.036 -4.623 37 H THR 7 H THR 7 -5.739 -15.360 -8.019 38 HA THR 7 HA THR 7 -6.905 -13.611 -8.679 39 HB THR 7 HB THR 7 -8.876 -13.063 -7.503 40 HG1 THR 7 HG1 THR 7 -7.999 -13.129 -5.388 41 HG21 THR 7 1HG2 THR 7 -8.198 -16.030 -7.409 42 HG22 THR 7 2HG2 THR 7 -9.836 -15.335 -7.429 43 HG23 THR 7 3HG2 THR 7 -8.769 -15.136 -8.838 44 H THR 8 H THR 8 -4.390 -12.824 -7.893 45 HA THR 8 HA THR 8 -4.522 -10.554 -6.163 46 HB THR 8 HB THR 8 -2.437 -11.366 -8.193 47 HG1 THR 8 HG1 THR 8 -2.833 -12.871 -6.497 48 HG21 THR 8 1HG2 THR 8 -2.330 -9.442 -5.840 49 HG22 THR 8 2HG2 THR 8 -0.956 -9.917 -6.866 50 HG23 THR 8 3HG2 THR 8 -2.306 -8.986 -7.559 51 H MET 9 H MET 9 -4.768 -8.379 -6.702 52 HA MET 9 HA MET 9 -6.147 -7.879 -9.182 53 HB2 MET 9 HB2 MET 9 -6.677 -6.756 -6.924 54 HB3 MET 9 HB3 MET 9 -5.240 -5.755 -7.239 55 HG2 MET 9 HG2 MET 9 -7.204 -4.607 -8.134 56 HG3 MET 9 HG3 MET 9 -6.206 -5.177 -9.492 57 HE1 MET 9 HE1 MET 9 -8.079 -4.882 -11.237 58 HE2 MET 9 HE2 MET 9 -9.747 -5.466 -11.026 59 HE3 MET 9 HE3 MET 9 -9.110 -4.189 -9.962 60 H GLU 10 H GLU 10 -5.266 -7.057 -10.972 61 HA GLU 10 HA GLU 10 -2.483 -7.115 -11.392 62 HB2 GLU 10 HB2 GLU 10 -4.656 -5.959 -13.146 63 HB3 GLU 10 HB3 GLU 10 -2.988 -6.352 -13.622 64 HG2 GLU 10 HG2 GLU 10 -3.401 -8.732 -13.027 65 HG3 GLU 10 HG3 GLU 10 -5.083 -8.321 -12.616 66 H GLN 11 H GLN 11 -4.612 -4.195 -10.917 67 HA GLN 11 HA GLN 11 -2.417 -2.537 -11.771 68 HB2 GLN 11 HB2 GLN 11 -3.540 -0.597 -10.912 69 HB3 GLN 11 HB3 GLN 11 -4.565 -1.535 -12.025 70 HG2 GLN 11 HG2 GLN 11 -4.819 -2.199 -9.134 71 HG3 GLN 11 HG3 GLN 11 -5.422 -0.601 -9.635 72 HE21 GLN 11 1HE2 GLN 11 -7.593 -0.865 -9.554 73 HE22 GLN 11 2HE2 GLN 11 -8.475 -2.068 -10.468 74 H GLU 12 H GLU 12 -1.327 -0.962 -10.646 75 HA GLU 12 HA GLU 12 -0.156 -2.011 -8.240 76 HB2 GLU 12 HB2 GLU 12 0.483 0.540 -9.755 77 HB3 GLU 12 HB3 GLU 12 1.476 -0.261 -8.514 78 HG2 GLU 12 HG2 GLU 12 1.613 -2.256 -10.053 79 HG3 GLU 12 HG3 GLU 12 0.839 -1.253 -11.303 80 H ILE 13 H ILE 13 -1.827 -1.950 -6.790 81 HA ILE 13 HA ILE 13 -3.127 0.544 -6.094 82 HB ILE 13 HB ILE 13 -4.407 -0.730 -4.524 83 HG12 ILE 13 2HG1 ILE 13 -4.357 -3.248 -4.728 84 HG13 ILE 13 3HG1 ILE 13 -2.753 -3.082 -5.481 85 HG21 ILE 13 1HG2 ILE 13 -4.199 -1.941 -7.319 86 HG22 ILE 13 2HG2 ILE 13 -5.614 -2.052 -6.246 87 HG23 ILE 13 3HG2 ILE 13 -5.108 -0.472 -6.892 88 HD11 ILE 13 3HD1 ILE 13 -1.917 -1.965 -3.455 89 HD12 ILE 13 1HD1 ILE 13 -3.521 -2.131 -2.702 90 HD13 ILE 13 2HD1 ILE 13 -2.567 -3.582 -3.093 91 H CYS 14 H CYS 14 -0.143 -0.691 -4.906 92 HA CYS 14 HA CYS 14 -0.545 0.001 -2.186 93 HB2 CYS 14 HB2 CYS 14 1.384 -1.373 -2.895 94 HB3 CYS 14 HB3 CYS 14 2.110 0.092 -3.599 95 H ALA 15 H ALA 15 0.043 1.803 -1.042 96 HA ALA 15 HA ALA 15 -0.869 4.232 -2.083 97 HB1 ALA 15 HB1 ALA 15 0.804 3.681 0.397 98 HB2 ALA 15 HB2 ALA 15 -0.083 5.183 0.042 99 HB3 ALA 15 HB3 ALA 15 -0.974 3.667 0.312 100 H HIS 16 H HIS 16 2.493 3.044 -1.491 101 HA HIS 16 HA HIS 16 3.747 5.490 -2.065 102 HB2 HIS 16 HB2 HIS 16 4.757 2.655 -2.249 103 HB3 HIS 16 HB3 HIS 16 5.756 4.104 -2.506 104 HD2 HIS 16 HD2 HIS 16 6.974 5.054 -0.328 105 HE1 HIS 16 HE1 HIS 16 4.532 3.157 2.564 106 H SER 17 H SER 17 2.806 2.758 -4.290 107 HA SER 17 HA SER 17 2.342 4.186 -6.529 108 HB2 SER 17 HB2 SER 17 4.331 3.911 -7.978 109 HB3 SER 17 HB3 SER 17 4.577 5.124 -6.699 110 HG SER 17 HG SER 17 6.346 3.692 -6.921 111 H MET 18 H MET 18 4.425 1.379 -5.585 112 HA MET 18 HA MET 18 3.518 -0.177 -7.823 113 HB2 MET 18 HB2 MET 18 5.261 -1.021 -5.515 114 HB3 MET 18 HB3 MET 18 5.057 -1.826 -7.090 115 HG2 MET 18 HG2 MET 18 5.987 0.219 -8.186 116 HG3 MET 18 HG3 MET 18 6.315 0.882 -6.567 117 HE1 MET 18 HE1 MET 18 8.810 1.250 -7.298 118 HE2 MET 18 HE2 MET 18 9.854 -0.033 -7.954 119 HE3 MET 18 HE3 MET 18 8.458 0.546 -8.893 120 H THR 19 H THR 19 3.352 -2.680 -7.227 121 HA THR 19 HA THR 19 0.600 -2.937 -6.455 122 HB THR 19 HB THR 19 2.707 -4.994 -7.240 123 HG1 THR 19 HG1 THR 19 2.234 -3.401 -8.836 124 HG21 THR 19 1HG2 THR 19 -0.328 -5.170 -7.221 125 HG22 THR 19 2HG2 THR 19 0.793 -6.416 -7.820 126 HG23 THR 19 3HG2 THR 19 0.768 -5.997 -6.090 127 H PHE 20 H PHE 20 -0.024 -4.708 -4.863 128 HA PHE 20 HA PHE 20 0.901 -4.249 -2.285 129 HB2 PHE 20 HB2 PHE 20 -1.379 -5.061 -2.937 130 HB3 PHE 20 HB3 PHE 20 -0.667 -6.562 -3.577 131 HD1 PHE 20 HD2 PHE 20 -1.366 -4.615 -0.499 132 HD2 PHE 20 HD1 PHE 20 -0.059 -8.365 -2.144 133 HE1 PHE 20 HE2 PHE 20 -1.570 -5.668 1.736 134 HE2 PHE 20 HE1 PHE 20 -0.262 -9.418 0.091 135 HZ PHE 20 HZ PHE 20 -1.018 -8.069 2.035 136 H GLU 21 H GLU 21 1.553 -6.821 -4.729 137 HA GLU 21 HA GLU 21 3.184 -8.501 -3.181 138 HB2 GLU 21 HB2 GLU 21 1.974 -9.088 -5.309 139 HB3 GLU 21 HB3 GLU 21 3.098 -8.034 -6.197 140 HG2 GLU 21 HG2 GLU 21 4.985 -9.418 -5.553 141 HG3 GLU 21 HG3 GLU 21 3.949 -10.408 -4.499 142 H GLU 22 H GLU 22 3.811 -5.620 -5.211 143 HA GLU 22 HA GLU 22 6.692 -5.802 -4.935 144 HB2 GLU 22 HB2 GLU 22 4.898 -3.862 -6.448 145 HB3 GLU 22 HB3 GLU 22 6.677 -3.888 -6.486 146 HG2 GLU 22 HG2 GLU 22 4.894 -6.192 -7.350 147 HG3 GLU 22 HG3 GLU 22 5.641 -5.010 -8.451 148 H CYS 23 H CYS 23 4.436 -4.894 -2.769 149 HA CYS 23 HA CYS 23 4.927 -2.277 -2.099 150 HB2 CYS 23 HB2 CYS 23 3.110 -3.632 -1.122 151 HB3 CYS 23 HB3 CYS 23 4.321 -4.506 -0.153 152 HG CYS 23 HG CYS 23 3.105 -2.735 1.327 153 HA PRO 24 HA PRO 24 8.526 -3.483 0.770 154 HB2 PRO 24 HB2 PRO 24 10.288 -5.394 -0.020 155 HB3 PRO 24 HB3 PRO 24 8.972 -5.683 1.143 156 HG2 PRO 24 HG2 PRO 24 9.045 -6.265 -1.852 157 HG3 PRO 24 HG3 PRO 24 8.418 -7.297 -0.544 158 HD2 PRO 24 HD2 PRO 24 6.738 -5.773 -2.068 159 HD3 PRO 24 HD3 PRO 24 6.422 -6.062 -0.341 160 H LYS 25 H LYS 25 8.763 -3.804 -2.801 161 HA LYS 25 HA LYS 25 11.244 -2.428 -3.025 162 HB2 LYS 25 HB2 LYS 25 9.108 -2.778 -5.120 163 HB3 LYS 25 HB3 LYS 25 10.765 -2.177 -5.364 164 HG2 LYS 25 HG2 LYS 25 11.615 -4.356 -4.414 165 HG3 LYS 25 HG3 LYS 25 9.936 -4.944 -4.399 166 HD2 LYS 25 HD2 LYS 25 11.022 -5.711 -6.439 167 HD3 LYS 25 HD3 LYS 25 9.808 -4.480 -6.864 168 HE2 LYS 25 HE2 LYS 25 11.896 -4.122 -8.111 169 HE3 LYS 25 HE3 LYS 25 11.594 -2.772 -6.991 170 HZ1 LYS 25 HZ1 LYS 25 13.404 -5.024 -6.509 171 HZ2 LYS 25 HZ2 LYS 25 13.852 -3.495 -6.935 172 HZ3 LYS 25 HZ3 LYS 25 13.130 -3.766 -5.477 173 H CYS 26 H CYS 26 7.940 -1.329 -2.446 174 HA CYS 26 HA CYS 26 8.063 1.218 -3.585 175 HB2 CYS 26 HB2 CYS 26 6.509 0.111 -1.230 176 HB3 CYS 26 HB3 CYS 26 6.302 1.752 -1.889 177 HG CYS 26 HG CYS 26 4.348 0.242 -2.628 178 H SER 27 H SER 27 9.256 -0.143 -0.493 179 HA SER 27 HA SER 27 9.717 2.243 0.910 180 HB2 SER 27 HB2 SER 27 11.189 -0.409 1.067 181 HB3 SER 27 HB3 SER 27 11.255 0.908 2.262 182 HG SER 27 HG SER 27 9.729 -0.712 2.811 183 H ALA 28 H ALA 28 11.647 0.410 -1.525 184 HA ALA 28 HA ALA 28 14.053 1.889 -1.173 185 HB1 ALA 28 HB1 ALA 28 13.053 0.377 -3.611 186 HB2 ALA 28 HB2 ALA 28 14.701 0.996 -3.356 187 HB3 ALA 28 HB3 ALA 28 14.064 -0.296 -2.310 188 H LEU 29 H LEU 29 14.662 3.806 -2.212 189 HA LEU 29 HA LEU 29 12.508 5.313 -3.466 190 HB2 LEU 29 HB2 LEU 29 14.990 5.953 -1.951 191 HB3 LEU 29 HB3 LEU 29 14.531 7.069 -3.259 192 HG LEU 29 HG LEU 29 12.227 7.193 -2.245 193 HD11 LEU 29 1HD1 LEU 29 13.535 5.719 0.060 194 HD12 LEU 29 2HD1 LEU 29 11.925 6.477 0.075 195 HD13 LEU 29 3HD1 LEU 29 12.247 5.089 -0.992 196 HD21 LEU 29 3HD2 LEU 29 14.564 7.988 -0.462 197 HD22 LEU 29 1HD2 LEU 29 13.935 8.923 -1.840 198 HD23 LEU 29 2HD2 LEU 29 12.924 8.677 -0.396 199 H GLN 30 H GLN 30 14.341 3.163 -4.859 200 HA GLN 30 HA GLN 30 15.975 4.397 -6.726 201 HB2 GLN 30 HB2 GLN 30 14.276 1.859 -6.926 202 HB3 GLN 30 HB3 GLN 30 15.630 2.274 -8.003 203 HG2 GLN 30 HG2 GLN 30 17.181 2.255 -6.096 204 HG3 GLN 30 HG3 GLN 30 15.845 1.906 -4.984 205 HE21 GLN 30 2HE2 GLN 30 18.274 0.316 -5.480 206 HE22 GLN 30 1HE2 GLN 30 17.728 -1.253 -6.029 207 H TYR 31 H TYR 31 12.485 3.547 -6.803 208 HA TYR 31 HA TYR 31 11.943 4.219 -9.468 209 HB2 TYR 31 HB2 TYR 31 10.525 2.759 -8.044 210 HB3 TYR 31 HB3 TYR 31 10.109 4.150 -7.038 211 HD1 TYR 31 HD1 TYR 31 9.925 2.849 -10.542 212 HD2 TYR 31 HD2 TYR 31 8.290 5.518 -7.600 213 HE1 TYR 31 HE1 TYR 31 8.029 3.347 -12.061 214 HE2 TYR 31 HE2 TYR 31 6.384 6.028 -9.110 215 HH TYR 31 HH TYR 31 6.078 4.521 -12.352 216 H ARG 32 H ARG 32 11.957 6.140 -6.407 217 HA ARG 32 HA ARG 32 10.648 8.420 -7.401 218 HB2 ARG 32 HB2 ARG 32 12.665 8.322 -5.151 219 HB3 ARG 32 HB3 ARG 32 11.557 9.645 -5.567 220 HG2 ARG 32 HG2 ARG 32 9.658 7.909 -5.310 221 HG3 ARG 32 HG3 ARG 32 10.870 6.889 -4.513 222 HD2 ARG 32 HD2 ARG 32 11.307 8.781 -2.907 223 HD3 ARG 32 HD3 ARG 32 10.020 9.702 -3.699 224 HE ARG 32 HE ARG 32 8.720 7.410 -3.090 225 HH11 ARG 32 2HH1 ARG 32 10.795 9.518 -1.136 226 HH12 ARG 32 1HH1 ARG 32 9.978 9.136 0.363 227 HH21 ARG 32 2HH2 ARG 32 7.664 6.917 -1.123 228 HH22 ARG 32 1HH2 ARG 32 8.198 7.656 0.371 229 H ASN 33 H ASN 33 14.099 7.475 -7.334 230 HA ASN 33 HA ASN 33 15.117 9.917 -8.293 231 HB2 ASN 33 HB2 ASN 33 16.226 7.102 -8.680 232 HB3 ASN 33 HB3 ASN 33 17.108 8.620 -8.941 233 HD21 ASN 33 1HD2 ASN 33 16.759 6.142 -6.793 234 HD22 ASN 33 2HD2 ASN 33 17.134 6.968 -5.298 235 H GLY 34 H GLY 34 15.691 10.519 -10.459 236 HA2 GLY 34 HA2 GLY 34 15.827 10.176 -12.746 237 HA3 GLY 34 HA3 GLY 34 14.739 8.791 -12.616 238 H PHE 35 H PHE 35 13.160 11.028 -10.701 239 HA PHE 35 HA PHE 35 11.463 11.885 -12.901 240 HB2 PHE 35 HB2 PHE 35 11.115 12.004 -9.920 241 HB3 PHE 35 HB3 PHE 35 10.151 12.981 -11.026 242 HD1 PHE 35 HD1 PHE 35 11.009 9.418 -10.209 243 HD2 PHE 35 HD2 PHE 35 8.315 12.125 -12.181 244 HE1 PHE 35 HE1 PHE 35 9.384 7.575 -10.521 245 HE2 PHE 35 HE2 PHE 35 6.708 10.270 -12.520 246 HZ PHE 35 HZ PHE 35 7.241 7.996 -11.681 247 H TYR 36 H TYR 36 11.235 13.943 -13.565 248 HA TYR 36 HA TYR 36 13.400 15.708 -13.330 249 HB2 TYR 36 HB2 TYR 36 12.028 15.550 -15.328 250 HB3 TYR 36 HB3 TYR 36 10.571 15.964 -14.418 251 HD1 TYR 36 HD1 TYR 36 14.013 17.453 -14.818 252 HD2 TYR 36 HD2 TYR 36 9.757 18.074 -14.835 253 HE1 TYR 36 HE1 TYR 36 14.370 19.856 -15.311 254 HE2 TYR 36 HE2 TYR 36 10.102 20.478 -15.326 255 HH TYR 36 HH TYR 36 11.631 22.145 -15.697 256 H LEU 37 H LEU 37 10.086 15.949 -11.774 257 HA LEU 37 HA LEU 37 11.414 17.840 -9.943 258 HB2 LEU 37 HB2 LEU 37 8.618 18.162 -11.036 259 HB3 LEU 37 HB3 LEU 37 9.294 19.057 -9.667 260 HG LEU 37 HG LEU 37 10.464 19.085 -12.476 261 HD11 LEU 37 1HD1 LEU 37 8.741 21.144 -11.033 262 HD12 LEU 37 2HD1 LEU 37 9.456 21.327 -12.651 263 HD13 LEU 37 3HD1 LEU 37 8.196 20.104 -12.371 264 HD21 LEU 37 3HD2 LEU 37 10.988 20.797 -10.003 265 HD22 LEU 37 1HD2 LEU 37 12.113 19.615 -10.714 266 HD23 LEU 37 2HD2 LEU 37 11.682 21.081 -11.617 267 H LEU 38 H LEU 38 11.318 17.262 -7.930 268 HA LEU 38 HA LEU 38 9.970 14.954 -7.034 269 HB2 LEU 38 HB2 LEU 38 11.155 17.243 -5.436 270 HB3 LEU 38 HB3 LEU 38 10.624 15.686 -4.790 271 HG LEU 38 HG LEU 38 12.902 16.114 -6.767 272 HD11 LEU 38 1HD1 LEU 38 12.848 15.288 -3.829 273 HD12 LEU 38 2HD1 LEU 38 14.300 15.419 -4.848 274 HD13 LEU 38 3HD1 LEU 38 13.360 16.875 -4.451 275 HD21 LEU 38 3HD2 LEU 38 11.804 13.592 -5.445 276 HD22 LEU 38 1HD2 LEU 38 11.895 13.946 -7.191 277 HD23 LEU 38 2HD2 LEU 38 13.382 13.689 -6.263 278 H LYS 39 H LYS 39 9.361 18.452 -6.919 279 HA LYS 39 HA LYS 39 7.219 18.542 -5.142 280 HB2 LYS 39 HB2 LYS 39 7.922 20.384 -7.460 281 HB3 LYS 39 HB3 LYS 39 6.752 20.737 -6.175 282 HG2 LYS 39 HG2 LYS 39 8.556 20.564 -4.481 283 HG3 LYS 39 HG3 LYS 39 9.736 20.263 -5.784 284 HD2 LYS 39 HD2 LYS 39 9.159 22.437 -6.816 285 HD3 LYS 39 HD3 LYS 39 7.954 22.731 -5.540 286 HE2 LYS 39 HE2 LYS 39 9.744 22.660 -3.834 287 HE3 LYS 39 HE3 LYS 39 10.948 22.375 -5.109 288 HZ1 LYS 39 HZ1 LYS 39 9.228 24.744 -4.875 289 HZ2 LYS 39 HZ2 LYS 39 10.344 24.479 -6.059 290 HZ3 LYS 39 HZ3 LYS 39 10.831 24.674 -4.495 291 H TYR 40 H TYR 40 7.224 17.472 -8.544 292 HA TYR 40 HA TYR 40 4.610 18.278 -9.207 293 HB2 TYR 40 HB2 TYR 40 6.243 17.525 -10.890 294 HB3 TYR 40 HB3 TYR 40 6.213 15.894 -10.203 295 HD1 TYR 40 HD1 TYR 40 4.145 18.490 -11.882 296 HD2 TYR 40 HD2 TYR 40 4.478 14.358 -10.754 297 HE1 TYR 40 HE1 TYR 40 2.165 17.961 -13.272 298 HE2 TYR 40 HE2 TYR 40 2.510 13.805 -12.160 299 HH TYR 40 HH TYR 40 0.754 16.323 -14.031 300 H ASP 41 H ASP 41 2.675 17.557 -8.593 301 HA ASP 41 HA ASP 41 2.568 15.484 -6.578 302 HB2 ASP 41 HB2 ASP 41 0.381 17.275 -7.641 303 HB3 ASP 41 HB3 ASP 41 0.232 16.102 -6.316 304 H GLU 42 H GLU 42 2.076 13.586 -6.674 305 HA GLU 42 HA GLU 42 0.156 12.467 -8.462 306 HB2 GLU 42 HB2 GLU 42 1.460 10.925 -9.641 307 HB3 GLU 42 HB3 GLU 42 2.127 12.535 -9.955 308 HG2 GLU 42 HG2 GLU 42 3.844 12.048 -8.140 309 HG3 GLU 42 HG3 GLU 42 3.180 10.387 -8.146 310 H GLU 43 H GLU 43 0.581 9.780 -8.008 311 HA GLU 43 HA GLU 43 -0.285 9.421 -5.368 312 HB2 GLU 43 HB2 GLU 43 0.956 7.360 -7.223 313 HB3 GLU 43 HB3 GLU 43 0.047 7.027 -5.735 314 HG2 GLU 43 HG2 GLU 43 -1.945 8.137 -6.719 315 HG3 GLU 43 HG3 GLU 43 -1.038 8.411 -8.222 316 H TRP 44 H TRP 44 2.847 9.067 -6.896 317 HA TRP 44 HA TRP 44 4.460 7.865 -5.024 318 HB2 TRP 44 HB2 TRP 44 4.710 8.402 -7.506 319 HB3 TRP 44 HB3 TRP 44 4.714 10.112 -7.082 320 HD1 TRP 44 HD1 TRP 44 7.020 7.163 -7.265 321 HE1 TRP 44 HE1 TRP 44 9.325 8.126 -7.676 322 HE3 TRP 44 HE3 TRP 44 5.961 12.075 -6.419 323 HZ2 TRP 44 HZ2 TRP 44 10.586 10.781 -7.643 324 HZ3 TRP 44 HZ3 TRP 44 7.684 13.797 -6.753 325 HH2 TRP 44 HH2 TRP 44 10.017 13.138 -7.359 326 H TYR 45 H TYR 45 5.580 8.806 -3.147 327 HA TYR 45 HA TYR 45 4.505 11.314 -2.200 328 HB2 TYR 45 HB2 TYR 45 6.535 9.426 -0.977 329 HB3 TYR 45 HB3 TYR 45 5.942 10.914 -0.220 330 HD1 TYR 45 HD2 TYR 45 3.524 11.169 0.330 331 HD2 TYR 45 HD1 TYR 45 5.172 7.429 -1.005 332 HE1 TYR 45 HE2 TYR 45 1.502 9.994 1.153 333 HE2 TYR 45 HE1 TYR 45 3.155 6.242 -0.180 334 HH TYR 45 HH TYR 45 1.114 6.439 0.841 335 HA PRO 46 HA PRO 46 7.583 13.844 -4.058 336 HB2 PRO 46 HB2 PRO 46 6.342 15.790 -2.115 337 HB3 PRO 46 HB3 PRO 46 6.728 16.043 -3.847 338 HG2 PRO 46 HG2 PRO 46 4.180 15.571 -3.106 339 HG3 PRO 46 HG3 PRO 46 4.863 14.688 -4.519 340 HD2 PRO 46 HD2 PRO 46 4.580 13.716 -1.660 341 HD3 PRO 46 HD3 PRO 46 4.147 12.888 -3.188 342 H GLU 47 H GLU 47 7.188 13.702 -0.473 343 HA GLU 47 HA GLU 47 9.752 14.928 -0.061 344 HB2 GLU 47 HB2 GLU 47 7.985 15.073 1.690 345 HB3 GLU 47 HB3 GLU 47 8.055 13.310 1.883 346 HG2 GLU 47 HG2 GLU 47 10.448 13.471 2.501 347 HG3 GLU 47 HG3 GLU 47 10.396 15.226 2.265 348 H GLU 48 H GLU 48 11.688 13.837 -0.096 349 HA GLU 48 HA GLU 48 11.549 10.929 -0.441 350 HB2 GLU 48 HB2 GLU 48 13.725 12.890 -1.082 351 HB3 GLU 48 HB3 GLU 48 13.958 11.126 -1.081 352 HG2 GLU 48 HG2 GLU 48 12.119 10.939 -2.757 353 HG3 GLU 48 HG3 GLU 48 11.992 12.712 -2.786 354 H LEU 49 H LEU 49 12.288 9.565 0.987 355 HA LEU 49 HA LEU 49 12.824 10.301 3.635 356 HB2 LEU 49 HB2 LEU 49 13.420 7.687 2.198 357 HB3 LEU 49 HB3 LEU 49 13.297 7.928 3.952 358 HG LEU 49 HG LEU 49 11.045 8.302 1.927 359 HD11 LEU 49 1HD1 LEU 49 11.516 6.192 4.073 360 HD12 LEU 49 2HD1 LEU 49 10.092 6.305 3.012 361 HD13 LEU 49 3HD1 LEU 49 11.691 5.946 2.321 362 HD21 LEU 49 3HD2 LEU 49 11.064 8.515 4.970 363 HD22 LEU 49 1HD2 LEU 49 10.777 9.847 3.823 364 HD23 LEU 49 2HD2 LEU 49 9.607 8.520 3.950 365 H LEU 50 H LEU 50 15.007 9.229 0.962 366 HA LEU 50 HA LEU 50 17.352 9.089 2.505 367 HB2 LEU 50 HB2 LEU 50 16.942 9.507 -0.464 368 HB3 LEU 50 HB3 LEU 50 18.523 9.266 0.305 369 HG LEU 50 HG LEU 50 16.217 7.290 0.565 370 HD11 LEU 50 1HD1 LEU 50 18.622 7.259 -1.306 371 HD12 LEU 50 2HD1 LEU 50 17.433 5.948 -1.114 372 HD13 LEU 50 3HD1 LEU 50 16.929 7.512 -1.793 373 HD21 LEU 50 3HD2 LEU 50 19.202 7.092 1.148 374 HD22 LEU 50 1HD2 LEU 50 17.897 7.128 2.357 375 HD23 LEU 50 2HD2 LEU 50 18.041 5.749 1.251 376 H THR 51 H THR 51 15.964 11.830 0.553 377 HA THR 51 HA THR 51 18.247 13.458 1.328 378 HB THR 51 HB THR 51 17.068 15.184 -0.001 379 HG1 THR 51 HG1 THR 51 15.019 14.248 0.099 380 HG21 THR 51 1HG2 THR 51 17.744 12.549 -1.375 381 HG22 THR 51 2HG2 THR 51 17.713 14.149 -2.152 382 HG23 THR 51 3HG2 THR 51 18.923 13.794 -0.898 383 H ASP 52 H ASP 52 17.975 13.369 3.600 384 HA ASP 52 HA ASP 52 15.528 14.487 4.688 385 HB2 ASP 52 HB2 ASP 52 16.575 12.567 5.826 386 HB3 ASP 52 HB3 ASP 52 18.100 13.462 5.985 387 H GLY 53 H GLY 53 15.360 16.607 4.312 388 HA2 GLY 53 HA2 GLY 53 15.644 18.762 4.889 389 HA3 GLY 53 HA3 GLY 53 17.234 18.386 5.569 390 H GLU 54 H GLU 54 17.592 16.940 2.638 391 HA GLU 54 HA GLU 54 19.098 19.085 1.553 392 HB2 GLU 54 HB2 GLU 54 18.226 16.539 0.178 393 HB3 GLU 54 HB3 GLU 54 19.516 17.625 -0.315 394 HG2 GLU 54 HG2 GLU 54 19.447 16.012 2.270 395 HG3 GLU 54 HG3 GLU 54 20.418 15.637 0.836 396 H ASP 55 H ASP 55 15.904 17.597 0.844 397 HA ASP 55 HA ASP 55 15.324 18.937 -1.531 398 HB2 ASP 55 HB2 ASP 55 13.472 17.947 0.697 399 HB3 ASP 55 HB3 ASP 55 12.920 18.526 -0.884 400 H ASP 56 H ASP 56 14.604 19.614 1.907 401 HA ASP 56 HA ASP 56 13.836 21.313 3.092 402 HB2 ASP 56 HB2 ASP 56 16.108 22.126 2.545 403 HB3 ASP 56 HB3 ASP 56 15.433 23.017 1.170 404 H VAL 57 H VAL 57 11.975 20.301 1.232 405 HA VAL 57 HA VAL 57 10.619 22.730 0.275 406 HB VAL 57 HB VAL 57 10.041 19.807 -0.308 407 HG11 VAL 57 1HG1 VAL 57 8.812 22.386 -1.378 408 HG12 VAL 57 2HG1 VAL 57 8.461 20.749 -1.978 409 HG13 VAL 57 3HG1 VAL 57 8.004 21.203 -0.323 410 HG21 VAL 57 3HG2 VAL 57 11.237 22.032 -2.015 411 HG22 VAL 57 1HG2 VAL 57 12.100 20.603 -1.400 412 HG23 VAL 57 2HG2 VAL 57 10.801 20.408 -2.595 413 H PHE 58 H PHE 58 10.275 19.631 2.130 414 HA PHE 58 HA PHE 58 7.699 20.226 3.137 415 HB2 PHE 58 HB2 PHE 58 9.614 18.024 3.609 416 HB3 PHE 58 HB3 PHE 58 8.183 18.283 4.636 417 HD1 PHE 58 HD1 PHE 58 9.273 17.799 1.094 418 HD2 PHE 58 HD2 PHE 58 5.965 17.961 3.836 419 HE1 PHE 58 HE1 PHE 58 7.742 17.038 -0.703 420 HE2 PHE 58 HE2 PHE 58 4.435 17.198 2.040 421 HZ PHE 58 HZ PHE 58 5.323 16.741 -0.231 422 H ASP 59 H ASP 59 10.865 20.983 4.629 423 HA ASP 59 HA ASP 59 9.646 21.553 7.127 424 HB2 ASP 59 HB2 ASP 59 12.217 22.708 6.013 425 HB3 ASP 59 HB3 ASP 59 11.638 22.796 7.684 426 HA PRO 60 HA PRO 60 8.994 26.014 5.655 427 HB2 PRO 60 HB2 PRO 60 9.074 25.891 2.666 428 HB3 PRO 60 HB3 PRO 60 9.684 27.183 3.755 429 HG2 PRO 60 HG2 PRO 60 11.408 25.467 2.535 430 HG3 PRO 60 HG3 PRO 60 11.649 25.940 4.250 431 HD2 PRO 60 HD2 PRO 60 10.394 23.412 3.172 432 HD3 PRO 60 HD3 PRO 60 11.607 23.601 4.459 433 H ASP 61 H ASP 61 7.751 23.340 3.687 434 HA ASP 61 HA ASP 61 5.761 22.715 2.963 435 HB2 ASP 61 HB2 ASP 61 5.317 22.637 5.406 436 HB3 ASP 61 HB3 ASP 61 4.569 24.241 5.274 437 H LEU 62 H LEU 62 6.868 24.755 1.507 438 HA LEU 62 HA LEU 62 4.563 26.468 0.866 439 HB2 LEU 62 HB2 LEU 62 6.566 27.785 1.439 440 HB3 LEU 62 HB3 LEU 62 7.528 26.856 0.275 441 HG LEU 62 HG LEU 62 6.068 27.681 -1.572 442 HD11 LEU 62 1HD1 LEU 62 4.815 29.363 0.645 443 HD12 LEU 62 2HD1 LEU 62 4.540 29.590 -1.098 444 HD13 LEU 62 3HD1 LEU 62 3.997 28.099 -0.306 445 HD21 LEU 62 3HD2 LEU 62 7.260 29.857 0.196 446 HD22 LEU 62 1HD2 LEU 62 8.153 28.858 -0.975 447 HD23 LEU 62 2HD2 LEU 62 6.913 29.999 -1.543 448 H ASP 63 H ASP 63 3.589 25.991 -1.067 449 HA ASP 63 HA ASP 63 4.979 24.090 -2.829 450 HB2 ASP 63 HB2 ASP 63 1.994 24.664 -2.623 451 HB3 ASP 63 HB3 ASP 63 2.772 23.569 -3.787 452 H MET 64 H MET 64 5.497 24.851 -4.849 453 HA MET 64 HA MET 64 4.396 27.473 -5.606 454 HB2 MET 64 HB2 MET 64 7.013 26.173 -6.462 455 HB3 MET 64 HB3 MET 64 6.365 27.705 -7.077 456 HG2 MET 64 HG2 MET 64 7.138 27.075 -4.202 457 HG3 MET 64 HG3 MET 64 8.050 28.087 -5.326 458 HE1 MET 64 HE1 MET 64 5.622 29.693 -6.767 459 HE2 MET 64 HE2 MET 64 5.693 31.180 -5.794 460 HE3 MET 64 HE3 MET 64 7.198 30.370 -6.290 461 H GLU 65 H GLU 65 2.658 26.869 -6.824 462 HA GLU 65 HA GLU 65 2.310 24.431 -8.158 463 HB2 GLU 65 HB2 GLU 65 0.855 27.060 -8.503 464 HB3 GLU 65 HB3 GLU 65 0.340 25.477 -9.131 465 HG2 GLU 65 HG2 GLU 65 0.298 24.580 -6.818 466 HG3 GLU 65 HG3 GLU 65 0.763 26.175 -6.195 467 H VAL 66 H VAL 66 3.346 27.602 -9.415 468 HA VAL 66 HA VAL 66 3.224 26.936 -12.133 469 HB VAL 66 HB VAL 66 4.980 28.932 -10.682 470 HG11 VAL 66 1HG1 VAL 66 4.151 28.678 -13.605 471 HG12 VAL 66 2HG1 VAL 66 5.037 30.049 -12.903 472 HG13 VAL 66 3HG1 VAL 66 5.791 28.443 -12.957 473 HG21 VAL 66 3HG2 VAL 66 2.247 29.192 -12.014 474 HG22 VAL 66 1HG2 VAL 66 2.571 29.286 -10.267 475 HG23 VAL 66 2HG2 VAL 66 3.207 30.536 -11.355 476 H VAL 67 H VAL 67 5.866 26.590 -9.667 477 HA VAL 67 HA VAL 67 7.864 25.794 -11.488 478 HB VAL 67 HB VAL 67 7.555 25.184 -8.548 479 HG11 VAL 67 1HG1 VAL 67 9.956 24.976 -10.411 480 HG12 VAL 67 2HG1 VAL 67 10.003 24.790 -8.643 481 HG13 VAL 67 3HG1 VAL 67 9.111 23.617 -9.632 482 HG21 VAL 67 3HG2 VAL 67 9.103 27.340 -10.046 483 HG22 VAL 67 1HG2 VAL 67 7.638 27.598 -9.070 484 HG23 VAL 67 2HG2 VAL 67 9.141 27.063 -8.289 485 H PHE 68 H PHE 68 5.564 23.744 -9.449 486 HA PHE 68 HA PHE 68 6.669 21.386 -10.661 487 HB2 PHE 68 HB2 PHE 68 5.393 20.046 -9.529 488 HB3 PHE 68 HB3 PHE 68 5.743 21.344 -8.405 489 HD1 PHE 68 HD1 PHE 68 3.131 19.713 -10.443 490 HD2 PHE 68 HD2 PHE 68 3.980 22.666 -7.439 491 HE1 PHE 68 HE1 PHE 68 0.729 19.786 -9.837 492 HE2 PHE 68 HE2 PHE 68 1.578 22.738 -6.832 493 HZ PHE 68 HZ PHE 68 -0.050 21.301 -8.032 494 H GLU 69 H GLU 69 3.855 23.364 -11.608 495 HA GLU 69 HA GLU 69 3.135 21.305 -13.502 496 HB2 GLU 69 HB2 GLU 69 1.982 24.065 -13.108 497 HB3 GLU 69 HB3 GLU 69 1.431 22.852 -14.287 498 HG2 GLU 69 HG2 GLU 69 1.075 21.240 -12.409 499 HG3 GLU 69 HG3 GLU 69 1.486 22.531 -11.262 500 H THR 70 H THR 70 5.011 21.035 -14.577 501 HA THR 70 HA THR 70 6.289 22.975 -16.167 502 HB THR 70 HB THR 70 6.112 19.960 -16.427 503 HG1 THR 70 HG1 THR 70 6.921 20.731 -14.424 504 HG21 THR 70 1HG2 THR 70 8.114 21.994 -17.507 505 HG22 THR 70 2HG2 THR 70 8.271 20.226 -17.625 506 HG23 THR 70 3HG2 THR 70 6.951 21.057 -18.476 507 H GLN 71 H GLN 71 3.563 20.690 -16.602 508 HA GLN 71 HA GLN 71 3.146 21.132 -19.387 509 HB2 GLN 71 HB2 GLN 71 0.798 20.356 -17.706 510 HB3 GLN 71 HB3 GLN 71 1.339 19.759 -19.274 511 HG2 GLN 71 HG2 GLN 71 1.889 17.914 -18.092 512 HG3 GLN 71 HG3 GLN 71 3.355 18.814 -17.675 513 HE21 GLN 71 1HE2 GLN 71 2.380 20.681 -15.812 514 HE22 GLN 71 2HE2 GLN 71 1.728 19.846 -14.419 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -13.027 -10.872 -15.390 2 H2 GLY 1 H2 GLY 1 -12.881 -9.806 -14.078 3 H3 GLY 1 H3 GLY 1 -11.720 -9.801 -15.314 4 HA2 GLY 1 HA3 GLY 1 -11.108 -10.941 -13.154 5 HA3 GLY 1 HA2 GLY 1 -12.227 -12.211 -13.702 6 H SER 2 H SER 2 -9.204 -11.974 -13.312 7 HA SER 2 HA SER 2 -8.456 -13.021 -15.955 8 HB2 SER 2 HB2 SER 2 -6.207 -12.114 -15.671 9 HB3 SER 2 HB3 SER 2 -7.405 -10.798 -15.694 10 HG SER 2 HG SER 2 -5.879 -10.586 -13.992 11 H THR 3 H THR 3 -6.867 -14.713 -15.869 12 HA THR 3 HA THR 3 -7.079 -16.269 -13.436 13 HB THR 3 HB THR 3 -5.675 -16.915 -16.019 14 HG1 THR 3 HG1 THR 3 -7.562 -18.191 -16.296 15 HG21 THR 3 1HG2 THR 3 -6.493 -18.612 -13.623 16 HG22 THR 3 2HG2 THR 3 -5.761 -19.217 -15.128 17 HG23 THR 3 3HG2 THR 3 -4.828 -18.152 -14.051 18 H ALA 4 H ALA 4 -6.023 -14.812 -12.072 19 HA ALA 4 HA ALA 4 -3.127 -14.535 -12.462 20 HB1 ALA 4 HB1 ALA 4 -5.004 -12.952 -10.646 21 HB2 ALA 4 HB2 ALA 4 -3.243 -12.731 -10.786 22 HB3 ALA 4 HB3 ALA 4 -4.300 -12.357 -12.168 23 H MET 5 H MET 5 -1.870 -15.392 -10.730 24 HA MET 5 HA MET 5 -3.011 -17.501 -9.253 25 HB2 MET 5 HB2 MET 5 -0.901 -17.813 -8.246 26 HB3 MET 5 HB3 MET 5 -0.570 -17.308 -9.921 27 HG2 MET 5 HG2 MET 5 -0.482 -15.501 -7.477 28 HG3 MET 5 HG3 MET 5 0.927 -16.191 -8.317 29 HE1 MET 5 HE1 MET 5 2.013 -13.846 -8.335 30 HE2 MET 5 HE2 MET 5 1.223 -12.389 -8.982 31 HE3 MET 5 HE3 MET 5 0.585 -13.171 -7.517 32 H ALA 6 H ALA 6 -3.935 -17.669 -7.442 33 HA ALA 6 HA ALA 6 -5.059 -17.216 -5.592 34 HB1 ALA 6 HB1 ALA 6 -2.689 -15.441 -4.966 35 HB2 ALA 6 HB2 ALA 6 -3.929 -15.988 -3.813 36 HB3 ALA 6 HB3 ALA 6 -2.849 -17.173 -4.586 37 H THR 7 H THR 7 -5.647 -15.557 -7.998 38 HA THR 7 HA THR 7 -6.838 -13.830 -8.670 39 HB THR 7 HB THR 7 -8.821 -13.307 -7.501 40 HG1 THR 7 HG1 THR 7 -7.949 -13.350 -5.384 41 HG21 THR 7 1HG2 THR 7 -8.096 -16.263 -7.392 42 HG22 THR 7 2HG2 THR 7 -9.745 -15.594 -7.420 43 HG23 THR 7 3HG2 THR 7 -8.677 -15.384 -8.827 44 H THR 8 H THR 8 -4.338 -12.998 -7.879 45 HA THR 8 HA THR 8 -4.511 -10.724 -6.160 46 HB THR 8 HB THR 8 -2.408 -11.512 -8.180 47 HG1 THR 8 HG1 THR 8 -2.784 -13.015 -6.479 48 HG21 THR 8 1HG2 THR 8 -2.338 -9.576 -5.835 49 HG22 THR 8 2HG2 THR 8 -0.954 -10.033 -6.855 50 HG23 THR 8 3HG2 THR 8 -2.316 -9.127 -7.556 51 H MET 9 H MET 9 -4.790 -8.555 -6.709 52 HA MET 9 HA MET 9 -6.169 -8.088 -9.196 53 HB2 MET 9 HB2 MET 9 -6.724 -6.963 -6.944 54 HB3 MET 9 HB3 MET 9 -5.301 -5.942 -7.260 55 HG2 MET 9 HG2 MET 9 -7.281 -4.829 -8.165 56 HG3 MET 9 HG3 MET 9 -6.270 -5.389 -9.518 57 HE1 MET 9 HE1 MET 9 -8.142 -5.131 -11.269 58 HE2 MET 9 HE2 MET 9 -9.801 -5.741 -11.061 59 HE3 MET 9 HE3 MET 9 -9.188 -4.449 -10.001 60 H GLU 10 H GLU 10 -5.295 -7.260 -10.987 61 HA GLU 10 HA GLU 10 -2.511 -7.276 -11.398 62 HB2 GLU 10 HB2 GLU 10 -4.696 -6.162 -13.163 63 HB3 GLU 10 HB3 GLU 10 -3.021 -6.531 -13.633 64 HG2 GLU 10 HG2 GLU 10 -3.398 -8.915 -13.029 65 HG3 GLU 10 HG3 GLU 10 -5.088 -8.529 -12.625 66 H GLN 11 H GLN 11 -4.687 -4.388 -10.943 67 HA GLN 11 HA GLN 11 -2.516 -2.699 -11.797 68 HB2 GLN 11 HB2 GLN 11 -3.673 -0.773 -10.950 69 HB3 GLN 11 HB3 GLN 11 -4.679 -1.733 -12.062 70 HG2 GLN 11 HG2 GLN 11 -4.931 -2.388 -9.169 71 HG3 GLN 11 HG3 GLN 11 -5.558 -0.802 -9.679 72 HE21 GLN 11 1HE2 GLN 11 -7.725 -1.100 -9.603 73 HE22 GLN 11 2HE2 GLN 11 -8.585 -2.321 -10.514 74 H GLU 12 H GLU 12 -1.455 -1.102 -10.676 75 HA GLU 12 HA GLU 12 -0.275 -2.122 -8.262 76 HB2 GLU 12 HB2 GLU 12 0.328 0.432 -9.787 77 HB3 GLU 12 HB3 GLU 12 1.331 -0.348 -8.539 78 HG2 GLU 12 HG2 GLU 12 1.504 -2.347 -10.068 79 HG3 GLU 12 HG3 GLU 12 0.718 -1.362 -11.326 80 H ILE 13 H ILE 13 -1.951 -2.081 -6.818 81 HA ILE 13 HA ILE 13 -3.293 0.395 -6.136 82 HB ILE 13 HB ILE 13 -4.556 -0.892 -4.564 83 HG12 ILE 13 2HG1 ILE 13 -4.467 -3.410 -4.757 84 HG13 ILE 13 3HG1 ILE 13 -2.863 -3.222 -5.506 85 HG21 ILE 13 1HG2 ILE 13 -4.321 -2.112 -7.353 86 HG22 ILE 13 2HG2 ILE 13 -5.737 -2.240 -6.284 87 HG23 ILE 13 3HG2 ILE 13 -5.254 -0.656 -6.935 88 HD11 ILE 13 3HD1 ILE 13 -2.051 -2.083 -3.482 89 HD12 ILE 13 1HD1 ILE 13 -3.654 -2.271 -2.733 90 HD13 ILE 13 2HD1 ILE 13 -2.676 -3.708 -3.115 91 H CYS 14 H CYS 14 -0.293 -0.787 -4.933 92 HA CYS 14 HA CYS 14 -0.714 -0.089 -2.219 93 HB2 CYS 14 HB2 CYS 14 1.239 -1.436 -2.915 94 HB3 CYS 14 HB3 CYS 14 1.943 0.037 -3.624 95 H ALA 15 H ALA 15 -0.159 1.726 -1.081 96 HA ALA 15 HA ALA 15 -1.105 4.136 -2.135 97 HB1 ALA 15 HB1 ALA 15 0.568 3.623 0.353 98 HB2 ALA 15 HB2 ALA 15 -0.341 5.109 -0.012 99 HB3 ALA 15 HB3 ALA 15 -1.209 3.581 0.263 100 H HIS 16 H HIS 16 2.273 3.004 -1.528 101 HA HIS 16 HA HIS 16 3.490 5.467 -2.109 102 HB2 HIS 16 HB2 HIS 16 4.545 2.648 -2.277 103 HB3 HIS 16 HB3 HIS 16 5.523 4.112 -2.537 104 HD2 HIS 16 HD2 HIS 16 6.718 5.090 -0.360 105 HE1 HIS 16 HE1 HIS 16 4.298 3.167 2.533 106 H SER 17 H SER 17 2.600 2.710 -4.324 107 HA SER 17 HA SER 17 2.119 4.121 -6.571 108 HB2 SER 17 HB2 SER 17 4.117 3.872 -8.013 109 HB3 SER 17 HB3 SER 17 4.340 5.094 -6.739 110 HG SER 17 HG SER 17 6.132 3.690 -6.949 111 H MET 18 H MET 18 4.244 1.352 -5.609 112 HA MET 18 HA MET 18 3.368 -0.228 -7.842 113 HB2 MET 18 HB2 MET 18 5.117 -1.034 -5.525 114 HB3 MET 18 HB3 MET 18 4.931 -1.849 -7.097 115 HG2 MET 18 HG2 MET 18 5.832 0.205 -8.199 116 HG3 MET 18 HG3 MET 18 6.145 0.881 -6.583 117 HE1 MET 18 HE1 MET 18 8.635 1.285 -7.308 118 HE2 MET 18 HE2 MET 18 9.702 0.016 -7.954 119 HE3 MET 18 HE3 MET 18 8.300 0.568 -8.901 120 H THR 19 H THR 19 3.240 -2.731 -7.236 121 HA THR 19 HA THR 19 0.490 -3.028 -6.470 122 HB THR 19 HB THR 19 2.632 -5.055 -7.240 123 HG1 THR 19 HG1 THR 19 2.138 -3.476 -8.845 124 HG21 THR 19 1HG2 THR 19 -0.400 -5.279 -7.229 125 HG22 THR 19 2HG2 THR 19 0.743 -6.509 -7.819 126 HG23 THR 19 3HG2 THR 19 0.706 -6.084 -6.091 127 H PHE 20 H PHE 20 -0.110 -4.802 -4.873 128 HA PHE 20 HA PHE 20 0.799 -4.317 -2.294 129 HB2 PHE 20 HB2 PHE 20 -1.465 -5.168 -2.949 130 HB3 PHE 20 HB3 PHE 20 -0.728 -6.659 -3.580 131 HD1 PHE 20 HD2 PHE 20 -1.467 -4.710 -0.513 132 HD2 PHE 20 HD1 PHE 20 -0.096 -8.446 -2.137 133 HE1 PHE 20 HE2 PHE 20 -1.662 -5.757 1.726 134 HE2 PHE 20 HE1 PHE 20 -0.289 -9.493 0.102 135 HZ PHE 20 HZ PHE 20 -1.073 -8.147 2.037 136 H GLU 21 H GLU 21 1.499 -6.888 -4.724 137 HA GLU 21 HA GLU 21 3.152 -8.535 -3.164 138 HB2 GLU 21 HB2 GLU 21 1.958 -9.151 -5.293 139 HB3 GLU 21 HB3 GLU 21 3.068 -8.084 -6.182 140 HG2 GLU 21 HG2 GLU 21 4.975 -9.434 -5.526 141 HG3 GLU 21 HG3 GLU 21 3.951 -10.436 -4.471 142 H GLU 22 H GLU 22 3.740 -5.654 -5.205 143 HA GLU 22 HA GLU 22 6.622 -5.789 -4.919 144 HB2 GLU 22 HB2 GLU 22 4.803 -3.885 -6.447 145 HB3 GLU 22 HB3 GLU 22 6.581 -3.882 -6.479 146 HG2 GLU 22 HG2 GLU 22 4.838 -6.218 -7.338 147 HG3 GLU 22 HG3 GLU 22 5.569 -5.030 -8.442 148 H CYS 23 H CYS 23 4.346 -4.908 -2.765 149 HA CYS 23 HA CYS 23 4.793 -2.280 -2.104 150 HB2 CYS 23 HB2 CYS 23 2.995 -3.659 -1.127 151 HB3 CYS 23 HB3 CYS 23 4.216 -4.510 -0.150 152 HG CYS 23 HG CYS 23 2.968 -2.752 1.318 153 HA PRO 24 HA PRO 24 8.402 -3.416 0.780 154 HB2 PRO 24 HB2 PRO 24 10.197 -5.303 0.004 155 HB3 PRO 24 HB3 PRO 24 8.881 -5.607 1.164 156 HG2 PRO 24 HG2 PRO 24 8.973 -6.201 -1.828 157 HG3 PRO 24 HG3 PRO 24 8.358 -7.237 -0.516 158 HD2 PRO 24 HD2 PRO 24 6.659 -5.747 -2.052 159 HD3 PRO 24 HD3 PRO 24 6.342 -6.033 -0.325 160 H LYS 25 H LYS 25 8.655 -3.749 -2.789 161 HA LYS 25 HA LYS 25 11.115 -2.335 -3.011 162 HB2 LYS 25 HB2 LYS 25 8.990 -2.728 -5.111 163 HB3 LYS 25 HB3 LYS 25 10.638 -2.102 -5.352 164 HG2 LYS 25 HG2 LYS 25 11.520 -4.263 -4.390 165 HG3 LYS 25 HG3 LYS 25 9.850 -4.877 -4.377 166 HD2 LYS 25 HD2 LYS 25 10.955 -5.636 -6.411 167 HD3 LYS 25 HD3 LYS 25 9.723 -4.427 -6.845 168 HE2 LYS 25 HE2 LYS 25 11.809 -4.041 -8.088 169 HE3 LYS 25 HE3 LYS 25 11.482 -2.691 -6.974 170 HZ1 LYS 25 HZ1 LYS 25 13.326 -4.912 -6.477 171 HZ2 LYS 25 HZ2 LYS 25 13.751 -3.378 -6.909 172 HZ3 LYS 25 HZ3 LYS 25 13.028 -3.654 -5.452 173 H CYS 26 H CYS 26 7.792 -1.286 -2.447 174 HA CYS 26 HA CYS 26 7.877 1.258 -3.597 175 HB2 CYS 26 HB2 CYS 26 6.335 0.137 -1.242 176 HB3 CYS 26 HB3 CYS 26 6.104 1.771 -1.908 177 HG CYS 26 HG CYS 26 4.175 0.227 -2.647 178 H SER 27 H SER 27 9.083 -0.071 -0.495 179 HA SER 27 HA SER 27 9.501 2.328 0.898 180 HB2 SER 27 HB2 SER 27 11.015 -0.299 1.072 181 HB3 SER 27 HB3 SER 27 11.056 1.024 2.261 182 HG SER 27 HG SER 27 9.554 -0.618 2.812 183 H ALA 28 H ALA 28 11.468 0.515 -1.522 184 HA ALA 28 HA ALA 28 13.849 2.034 -1.170 185 HB1 ALA 28 HB1 ALA 28 12.880 0.496 -3.604 186 HB2 ALA 28 HB2 ALA 28 14.518 1.142 -3.347 187 HB3 ALA 28 HB3 ALA 28 13.898 -0.155 -2.297 188 H LEU 29 H LEU 29 14.430 3.955 -2.215 189 HA LEU 29 HA LEU 29 12.257 5.423 -3.482 190 HB2 LEU 29 HB2 LEU 29 14.724 6.109 -1.964 191 HB3 LEU 29 HB3 LEU 29 14.251 7.211 -3.277 192 HG LEU 29 HG LEU 29 11.943 7.303 -2.271 193 HD11 LEU 29 1HD1 LEU 29 13.267 5.861 0.044 194 HD12 LEU 29 2HD1 LEU 29 11.645 6.593 0.051 195 HD13 LEU 29 3HD1 LEU 29 11.992 5.206 -1.009 196 HD21 LEU 29 3HD2 LEU 29 14.261 8.144 -0.485 197 HD22 LEU 29 1HD2 LEU 29 13.622 9.062 -1.869 198 HD23 LEU 29 2HD2 LEU 29 12.610 8.806 -0.427 199 H GLN 30 H GLN 30 14.154 3.302 -4.841 200 HA GLN 30 HA GLN 30 15.744 4.555 -6.730 201 HB2 GLN 30 HB2 GLN 30 14.132 1.968 -6.924 202 HB3 GLN 30 HB3 GLN 30 15.471 2.433 -7.998 203 HG2 GLN 30 HG2 GLN 30 17.008 2.495 -6.066 204 HG3 GLN 30 HG3 GLN 30 15.680 2.043 -4.982 205 HE21 GLN 30 2HE2 GLN 30 18.252 0.642 -5.599 206 HE22 GLN 30 1HE2 GLN 30 17.792 -0.954 -6.146 207 H TYR 31 H TYR 31 12.262 3.661 -6.786 208 HA TYR 31 HA TYR 31 11.720 4.255 -9.464 209 HB2 TYR 31 HB2 TYR 31 10.246 2.865 -8.103 210 HB3 TYR 31 HB3 TYR 31 10.013 4.173 -6.940 211 HD1 TYR 31 HD1 TYR 31 9.443 3.308 -10.542 212 HD2 TYR 31 HD2 TYR 31 8.216 5.645 -7.148 213 HE1 TYR 31 HE1 TYR 31 7.461 4.096 -11.808 214 HE2 TYR 31 HE2 TYR 31 6.228 6.432 -8.396 215 HH TYR 31 HH TYR 31 5.568 5.398 -11.770 216 H ARG 32 H ARG 32 11.588 6.277 -6.468 217 HA ARG 32 HA ARG 32 10.373 8.526 -7.645 218 HB2 ARG 32 HB2 ARG 32 12.173 8.348 -5.203 219 HB3 ARG 32 HB3 ARG 32 11.214 9.764 -5.708 220 HG2 ARG 32 HG2 ARG 32 9.162 8.277 -5.699 221 HG3 ARG 32 HG3 ARG 32 10.163 7.004 -4.971 222 HD2 ARG 32 HD2 ARG 32 10.695 8.614 -3.096 223 HD3 ARG 32 HD3 ARG 32 9.522 9.741 -3.804 224 HE ARG 32 HE ARG 32 8.233 7.252 -3.543 225 HH11 ARG 32 2HH1 ARG 32 9.645 9.728 -1.437 226 HH12 ARG 32 1HH1 ARG 32 8.603 9.346 -0.085 227 HH21 ARG 32 2HH2 ARG 32 6.881 6.758 -1.767 228 HH22 ARG 32 1HH2 ARG 32 7.029 7.656 -0.272 229 H ASN 33 H ASN 33 13.798 7.555 -7.243 230 HA ASN 33 HA ASN 33 14.958 9.963 -8.112 231 HB2 ASN 33 HB2 ASN 33 16.003 7.100 -8.307 232 HB3 ASN 33 HB3 ASN 33 16.966 8.566 -8.573 233 HD21 ASN 33 1HD2 ASN 33 17.225 6.392 -6.513 234 HD22 ASN 33 2HD2 ASN 33 17.186 7.215 -4.969 235 H GLY 34 H GLY 34 15.832 10.547 -10.160 236 HA2 GLY 34 HA2 GLY 34 16.264 10.292 -12.395 237 HA3 GLY 34 HA3 GLY 34 15.223 8.866 -12.451 238 H PHE 35 H PHE 35 13.552 11.320 -10.730 239 HA PHE 35 HA PHE 35 12.092 12.031 -13.177 240 HB2 PHE 35 HB2 PHE 35 11.164 11.992 -10.338 241 HB3 PHE 35 HB3 PHE 35 10.380 12.958 -11.599 242 HD1 PHE 35 HD2 PHE 35 9.361 11.920 -13.569 243 HD2 PHE 35 HD1 PHE 35 10.968 9.531 -10.379 244 HE1 PHE 35 HE2 PHE 35 8.143 9.941 -14.433 245 HE2 PHE 35 HE1 PHE 35 9.738 7.560 -11.237 246 HZ PHE 35 HZ PHE 35 8.330 7.761 -13.263 247 H TYR 36 H TYR 36 11.634 14.050 -13.747 248 HA TYR 36 HA TYR 36 13.650 15.949 -13.425 249 HB2 TYR 36 HB2 TYR 36 12.333 15.718 -15.447 250 HB3 TYR 36 HB3 TYR 36 10.827 15.969 -14.561 251 HD1 TYR 36 HD1 TYR 36 14.092 17.848 -14.788 252 HD2 TYR 36 HD2 TYR 36 9.802 17.945 -15.081 253 HE1 TYR 36 HE1 TYR 36 14.185 20.278 -15.278 254 HE2 TYR 36 HE2 TYR 36 9.888 20.370 -15.580 255 HH TYR 36 HH TYR 36 12.971 22.180 -15.749 256 H LEU 37 H LEU 37 10.298 15.997 -11.922 257 HA LEU 37 HA LEU 37 11.522 17.902 -10.028 258 HB2 LEU 37 HB2 LEU 37 8.730 18.148 -11.159 259 HB3 LEU 37 HB3 LEU 37 9.363 19.054 -9.778 260 HG LEU 37 HG LEU 37 10.538 19.155 -12.586 261 HD11 LEU 37 1HD1 LEU 37 8.718 21.113 -11.116 262 HD12 LEU 37 2HD1 LEU 37 9.435 21.361 -12.725 263 HD13 LEU 37 3HD1 LEU 37 8.232 20.074 -12.477 264 HD21 LEU 37 3HD2 LEU 37 10.986 20.867 -10.099 265 HD22 LEU 37 1HD2 LEU 37 12.158 19.729 -10.806 266 HD23 LEU 37 2HD2 LEU 37 11.680 21.182 -11.705 267 H LEU 38 H LEU 38 11.437 17.159 -8.045 268 HA LEU 38 HA LEU 38 9.935 14.875 -7.283 269 HB2 LEU 38 HB2 LEU 38 11.485 16.874 -5.646 270 HB3 LEU 38 HB3 LEU 38 10.706 15.418 -5.006 271 HG LEU 38 HG LEU 38 12.862 15.427 -7.159 272 HD11 LEU 38 1HD1 LEU 38 12.958 14.720 -4.193 273 HD12 LEU 38 2HD1 LEU 38 14.299 14.534 -5.349 274 HD13 LEU 38 3HD1 LEU 38 13.691 16.156 -4.945 275 HD21 LEU 38 3HD2 LEU 38 11.529 13.170 -5.592 276 HD22 LEU 38 1HD2 LEU 38 11.385 13.463 -7.343 277 HD23 LEU 38 2HD2 LEU 38 12.945 12.978 -6.650 278 H LYS 39 H LYS 39 9.519 18.370 -6.995 279 HA LYS 39 HA LYS 39 7.414 18.474 -5.167 280 HB2 LYS 39 HB2 LYS 39 8.180 20.350 -7.447 281 HB3 LYS 39 HB3 LYS 39 7.018 20.725 -6.159 282 HG2 LYS 39 HG2 LYS 39 8.794 20.439 -4.459 283 HG3 LYS 39 HG3 LYS 39 9.971 20.092 -5.751 284 HD2 LYS 39 HD2 LYS 39 9.554 22.313 -6.745 285 HD3 LYS 39 HD3 LYS 39 8.337 22.658 -5.496 286 HE2 LYS 39 HE2 LYS 39 10.065 22.449 -3.746 287 HE3 LYS 39 HE3 LYS 39 11.286 22.095 -4.986 288 HZ1 LYS 39 HZ1 LYS 39 10.870 24.251 -5.919 289 HZ2 LYS 39 HZ2 LYS 39 11.314 24.387 -4.336 290 HZ3 LYS 39 HZ3 LYS 39 9.734 24.577 -4.769 291 H TYR 40 H TYR 40 7.410 17.571 -8.626 292 HA TYR 40 HA TYR 40 4.779 18.377 -9.238 293 HB2 TYR 40 HB2 TYR 40 6.489 17.854 -10.934 294 HB3 TYR 40 HB3 TYR 40 6.420 16.151 -10.469 295 HD1 TYR 40 HD1 TYR 40 4.355 18.969 -11.771 296 HD2 TYR 40 HD2 TYR 40 4.817 14.718 -11.442 297 HE1 TYR 40 HE1 TYR 40 2.484 18.660 -13.370 298 HE2 TYR 40 HE2 TYR 40 2.947 14.383 -13.037 299 HH TYR 40 HH TYR 40 1.186 17.146 -14.510 300 H ASP 41 H ASP 41 2.836 17.545 -8.963 301 HA ASP 41 HA ASP 41 2.524 15.541 -6.932 302 HB2 ASP 41 HB2 ASP 41 1.080 17.576 -7.059 303 HB3 ASP 41 HB3 ASP 41 0.418 16.982 -8.594 304 H GLU 42 H GLU 42 2.406 13.548 -7.164 305 HA GLU 42 HA GLU 42 1.133 12.232 -9.405 306 HB2 GLU 42 HB2 GLU 42 4.030 11.775 -8.641 307 HB3 GLU 42 HB3 GLU 42 3.060 10.558 -9.487 308 HG2 GLU 42 HG2 GLU 42 3.350 13.376 -10.556 309 HG3 GLU 42 HG3 GLU 42 4.516 12.098 -10.924 310 H GLU 43 H GLU 43 1.486 9.682 -8.766 311 HA GLU 43 HA GLU 43 0.034 9.236 -6.420 312 HB2 GLU 43 HB2 GLU 43 0.009 7.705 -8.355 313 HB3 GLU 43 HB3 GLU 43 1.727 7.342 -8.105 314 HG2 GLU 43 HG2 GLU 43 0.293 5.571 -7.167 315 HG3 GLU 43 HG3 GLU 43 1.226 6.375 -5.896 316 H TRP 44 H TRP 44 3.591 8.996 -7.145 317 HA TRP 44 HA TRP 44 4.245 7.905 -4.590 318 HB2 TRP 44 HB2 TRP 44 6.513 8.293 -5.025 319 HB3 TRP 44 HB3 TRP 44 5.779 7.632 -6.481 320 HD1 TRP 44 HD1 TRP 44 7.413 10.776 -5.099 321 HE1 TRP 44 HE1 TRP 44 8.171 12.270 -7.017 322 HE3 TRP 44 HE3 TRP 44 5.201 8.274 -8.971 323 HZ2 TRP 44 HZ2 TRP 44 7.901 12.342 -9.905 324 HZ3 TRP 44 HZ3 TRP 44 5.491 9.064 -11.291 325 HH2 TRP 44 HH2 TRP 44 6.837 11.089 -11.773 326 H TYR 45 H TYR 45 5.404 8.927 -2.851 327 HA TYR 45 HA TYR 45 4.232 11.474 -2.205 328 HB2 TYR 45 HB2 TYR 45 6.227 9.751 -0.693 329 HB3 TYR 45 HB3 TYR 45 5.537 11.269 -0.104 330 HD1 TYR 45 HD1 TYR 45 4.710 7.774 -1.093 331 HD2 TYR 45 HD2 TYR 45 3.325 11.394 0.768 332 HE1 TYR 45 HE1 TYR 45 2.712 6.571 -0.256 333 HE2 TYR 45 HE2 TYR 45 1.323 10.201 1.614 334 HH TYR 45 HH TYR 45 0.761 6.718 0.941 335 HA PRO 46 HA PRO 46 7.495 13.836 -4.055 336 HB2 PRO 46 HB2 PRO 46 6.287 15.942 -2.268 337 HB3 PRO 46 HB3 PRO 46 6.710 16.065 -4.006 338 HG2 PRO 46 HG2 PRO 46 4.133 15.739 -3.273 339 HG3 PRO 46 HG3 PRO 46 4.800 14.761 -4.627 340 HD2 PRO 46 HD2 PRO 46 4.419 13.939 -1.735 341 HD3 PRO 46 HD3 PRO 46 4.000 13.052 -3.236 342 H GLU 47 H GLU 47 6.972 13.808 -0.523 343 HA GLU 47 HA GLU 47 9.523 14.976 0.065 344 HB2 GLU 47 HB2 GLU 47 7.622 15.071 1.684 345 HB3 GLU 47 HB3 GLU 47 7.654 13.302 1.808 346 HG2 GLU 47 HG2 GLU 47 9.978 13.399 2.655 347 HG3 GLU 47 HG3 GLU 47 9.970 15.164 2.488 348 H GLU 48 H GLU 48 11.470 13.871 0.110 349 HA GLU 48 HA GLU 48 11.306 10.962 -0.242 350 HB2 GLU 48 HB2 GLU 48 13.524 12.899 -0.839 351 HB3 GLU 48 HB3 GLU 48 13.721 11.136 -0.840 352 HG2 GLU 48 HG2 GLU 48 11.910 10.997 -2.566 353 HG3 GLU 48 HG3 GLU 48 11.880 12.775 -2.626 354 H LEU 49 H LEU 49 11.971 9.619 1.255 355 HA LEU 49 HA LEU 49 12.587 10.446 3.863 356 HB2 LEU 49 HB2 LEU 49 13.080 7.744 2.568 357 HB3 LEU 49 HB3 LEU 49 12.956 8.091 4.303 358 HG LEU 49 HG LEU 49 10.729 8.437 2.242 359 HD11 LEU 49 1HD1 LEU 49 11.124 6.405 4.476 360 HD12 LEU 49 2HD1 LEU 49 9.700 6.526 3.415 361 HD13 LEU 49 3HD1 LEU 49 11.281 6.082 2.734 362 HD21 LEU 49 3HD2 LEU 49 10.737 8.779 5.273 363 HD22 LEU 49 1HD2 LEU 49 10.510 10.072 4.069 364 HD23 LEU 49 2HD2 LEU 49 9.287 8.797 4.241 365 H LEU 50 H LEU 50 14.681 9.208 1.177 366 HA LEU 50 HA LEU 50 17.037 8.996 2.688 367 HB2 LEU 50 HB2 LEU 50 16.633 9.451 -0.284 368 HB3 LEU 50 HB3 LEU 50 18.193 9.102 0.483 369 HG LEU 50 HG LEU 50 15.762 7.273 0.667 370 HD11 LEU 50 1HD1 LEU 50 18.246 7.100 -1.091 371 HD12 LEU 50 2HD1 LEU 50 16.961 5.874 -0.976 372 HD13 LEU 50 3HD1 LEU 50 16.603 7.478 -1.655 373 HD21 LEU 50 3HD2 LEU 50 18.699 6.885 1.381 374 HD22 LEU 50 1HD2 LEU 50 17.342 6.982 2.529 375 HD23 LEU 50 2HD2 LEU 50 17.458 5.611 1.408 376 H THR 51 H THR 51 15.769 11.763 0.686 377 HA THR 51 HA THR 51 18.126 13.294 1.439 378 HB THR 51 HB THR 51 17.145 15.025 0.017 379 HG1 THR 51 HG1 THR 51 15.388 14.389 -1.278 380 HG21 THR 51 1HG2 THR 51 17.344 12.267 -1.265 381 HG22 THR 51 2HG2 THR 51 17.547 13.827 -2.094 382 HG23 THR 51 3HG2 THR 51 18.727 13.312 -0.866 383 H ASP 52 H ASP 52 17.832 13.352 3.755 384 HA ASP 52 HA ASP 52 15.403 14.744 4.616 385 HB2 ASP 52 HB2 ASP 52 16.034 12.829 5.986 386 HB3 ASP 52 HB3 ASP 52 17.646 13.519 6.257 387 H GLY 53 H GLY 53 15.453 16.813 4.288 388 HA2 GLY 53 HA2 GLY 53 15.939 18.944 4.782 389 HA3 GLY 53 HA3 GLY 53 17.508 18.454 5.438 390 H GLU 54 H GLU 54 17.698 16.864 2.566 391 HA GLU 54 HA GLU 54 19.243 18.959 1.377 392 HB2 GLU 54 HB2 GLU 54 18.539 16.266 0.245 393 HB3 GLU 54 HB3 GLU 54 19.706 17.433 -0.401 394 HG2 GLU 54 HG2 GLU 54 20.948 17.337 1.765 395 HG3 GLU 54 HG3 GLU 54 19.827 16.083 2.327 396 H ASP 55 H ASP 55 16.029 17.496 0.698 397 HA ASP 55 HA ASP 55 15.594 18.930 -1.686 398 HB2 ASP 55 HB2 ASP 55 13.615 17.730 0.258 399 HB3 ASP 55 HB3 ASP 55 13.186 18.498 -1.278 400 H ASP 56 H ASP 56 14.837 19.691 1.760 401 HA ASP 56 HA ASP 56 13.949 21.498 2.744 402 HB2 ASP 56 HB2 ASP 56 15.656 22.999 0.810 403 HB3 ASP 56 HB3 ASP 56 14.753 23.704 2.162 404 H VAL 57 H VAL 57 12.080 20.290 1.155 405 HA VAL 57 HA VAL 57 10.682 22.611 -0.002 406 HB VAL 57 HB VAL 57 10.072 19.642 -0.220 407 HG11 VAL 57 1HG1 VAL 57 8.771 22.089 -1.497 408 HG12 VAL 57 2HG1 VAL 57 8.392 20.395 -1.887 409 HG13 VAL 57 3HG1 VAL 57 8.031 21.034 -0.270 410 HG21 VAL 57 3HG2 VAL 57 11.148 21.666 -2.229 411 HG22 VAL 57 1HG2 VAL 57 12.069 20.336 -1.498 412 HG23 VAL 57 2HG2 VAL 57 10.713 19.978 -2.591 413 H PHE 58 H PHE 58 10.397 19.690 2.106 414 HA PHE 58 HA PHE 58 7.932 20.408 3.288 415 HB2 PHE 58 HB2 PHE 58 9.867 18.197 3.740 416 HB3 PHE 58 HB3 PHE 58 8.484 18.509 4.814 417 HD1 PHE 58 HD1 PHE 58 9.376 17.982 1.211 418 HD2 PHE 58 HD2 PHE 58 6.269 17.986 4.185 419 HE1 PHE 58 HE1 PHE 58 7.761 17.138 -0.472 420 HE2 PHE 58 HE2 PHE 58 4.661 17.128 2.505 421 HZ PHE 58 HZ PHE 58 5.403 16.715 0.172 422 H ASP 59 H ASP 59 11.257 21.112 4.473 423 HA ASP 59 HA ASP 59 10.260 21.830 7.036 424 HB2 ASP 59 HB2 ASP 59 12.754 22.887 5.714 425 HB3 ASP 59 HB3 ASP 59 12.311 22.990 7.430 426 HA PRO 60 HA PRO 60 9.633 26.219 5.635 427 HB2 PRO 60 HB2 PRO 60 9.669 27.108 3.070 428 HB3 PRO 60 HB3 PRO 60 11.172 26.894 4.032 429 HG2 PRO 60 HG2 PRO 60 9.924 24.926 2.083 430 HG3 PRO 60 HG3 PRO 60 11.625 25.498 2.123 431 HD2 PRO 60 HD2 PRO 60 10.882 23.144 3.284 432 HD3 PRO 60 HD3 PRO 60 12.102 24.203 4.050 433 H ASP 61 H ASP 61 8.102 23.584 3.928 434 HA ASP 61 HA ASP 61 6.010 23.192 3.275 435 HB2 ASP 61 HB2 ASP 61 5.273 25.039 5.536 436 HB3 ASP 61 HB3 ASP 61 4.163 23.982 4.638 437 H LEU 62 H LEU 62 7.254 24.848 1.524 438 HA LEU 62 HA LEU 62 5.226 26.864 0.848 439 HB2 LEU 62 HB2 LEU 62 7.990 26.375 -0.344 440 HB3 LEU 62 HB3 LEU 62 6.840 27.617 -0.882 441 HG LEU 62 HG LEU 62 7.985 27.414 1.934 442 HD11 LEU 62 1HD1 LEU 62 8.709 29.268 -0.375 443 HD12 LEU 62 2HD1 LEU 62 9.359 29.365 1.279 444 HD13 LEU 62 3HD1 LEU 62 9.724 27.953 0.262 445 HD21 LEU 62 3HD2 LEU 62 6.362 29.582 0.538 446 HD22 LEU 62 1HD2 LEU 62 5.810 28.550 1.879 447 HD23 LEU 62 2HD2 LEU 62 7.104 29.733 2.147 448 H ASP 63 H ASP 63 3.784 26.294 -0.734 449 HA ASP 63 HA ASP 63 4.464 23.987 -2.436 450 HB2 ASP 63 HB2 ASP 63 2.433 23.532 -1.137 451 HB3 ASP 63 HB3 ASP 63 1.751 25.109 -1.578 452 H MET 64 H MET 64 5.019 24.780 -4.494 453 HA MET 64 HA MET 64 3.799 27.336 -5.307 454 HB2 MET 64 HB2 MET 64 6.579 26.317 -5.979 455 HB3 MET 64 HB3 MET 64 5.808 27.760 -6.675 456 HG2 MET 64 HG2 MET 64 5.651 28.793 -4.480 457 HG3 MET 64 HG3 MET 64 6.262 27.330 -3.698 458 HE1 MET 64 HE1 MET 64 8.638 26.336 -5.396 459 HE2 MET 64 HE2 MET 64 9.989 27.193 -4.621 460 HE3 MET 64 HE3 MET 64 8.668 26.533 -3.629 461 H GLU 65 H GLU 65 2.237 26.732 -6.635 462 HA GLU 65 HA GLU 65 2.090 24.317 -8.053 463 HB2 GLU 65 HB2 GLU 65 0.574 26.903 -8.491 464 HB3 GLU 65 HB3 GLU 65 0.195 25.323 -9.218 465 HG2 GLU 65 HG2 GLU 65 -0.053 24.346 -6.949 466 HG3 GLU 65 HG3 GLU 65 0.270 25.939 -6.235 467 H VAL 66 H VAL 66 3.166 27.582 -9.049 468 HA VAL 66 HA VAL 66 3.303 27.102 -11.794 469 HB VAL 66 HB VAL 66 4.910 28.994 -10.059 470 HG11 VAL 66 1HG1 VAL 66 4.336 28.947 -13.054 471 HG12 VAL 66 2HG1 VAL 66 5.149 30.267 -12.180 472 HG13 VAL 66 3HG1 VAL 66 5.917 28.670 -12.285 473 HG21 VAL 66 3HG2 VAL 66 2.300 29.344 -11.598 474 HG22 VAL 66 1HG2 VAL 66 2.472 29.314 -9.826 475 HG23 VAL 66 2HG2 VAL 66 3.192 30.640 -10.765 476 H VAL 67 H VAL 67 5.777 26.617 -9.155 477 HA VAL 67 HA VAL 67 7.890 25.958 -10.899 478 HB VAL 67 HB VAL 67 7.410 25.156 -8.027 479 HG11 VAL 67 1HG1 VAL 67 9.925 25.101 -9.747 480 HG12 VAL 67 2HG1 VAL 67 9.866 24.803 -7.994 481 HG13 VAL 67 3HG1 VAL 67 9.057 23.683 -9.108 482 HG21 VAL 67 3HG2 VAL 67 9.002 27.427 -9.293 483 HG22 VAL 67 1HG2 VAL 67 7.487 27.598 -8.376 484 HG23 VAL 67 2HG2 VAL 67 8.959 27.032 -7.559 485 H PHE 68 H PHE 68 5.486 23.776 -9.167 486 HA PHE 68 HA PHE 68 6.712 21.502 -10.441 487 HB2 PHE 68 HB2 PHE 68 5.376 20.093 -9.486 488 HB3 PHE 68 HB3 PHE 68 5.712 21.287 -8.254 489 HD1 PHE 68 HD1 PHE 68 3.110 19.836 -10.437 490 HD2 PHE 68 HD2 PHE 68 3.951 22.540 -7.207 491 HE1 PHE 68 HE1 PHE 68 0.709 19.865 -9.842 492 HE2 PHE 68 HE2 PHE 68 1.547 22.569 -6.608 493 HZ PHE 68 HZ PHE 68 -0.077 21.233 -7.926 494 H GLU 69 H GLU 69 3.924 23.495 -11.428 495 HA GLU 69 HA GLU 69 3.351 21.573 -13.501 496 HB2 GLU 69 HB2 GLU 69 2.175 24.301 -13.045 497 HB3 GLU 69 HB3 GLU 69 1.646 23.100 -14.242 498 HG2 GLU 69 HG2 GLU 69 1.125 21.508 -12.433 499 HG3 GLU 69 HG3 GLU 69 1.680 22.679 -11.224 500 H THR 70 H THR 70 5.236 21.362 -14.534 501 HA THR 70 HA THR 70 6.624 23.412 -15.888 502 HB THR 70 HB THR 70 6.413 20.440 -16.458 503 HG1 THR 70 HG1 THR 70 7.066 20.962 -14.325 504 HG21 THR 70 1HG2 THR 70 8.549 22.513 -17.131 505 HG22 THR 70 2HG2 THR 70 8.653 20.768 -17.463 506 HG23 THR 70 3HG2 THR 70 7.433 21.756 -18.295 507 H GLN 71 H GLN 71 3.905 21.179 -16.659 508 HA GLN 71 HA GLN 71 3.662 21.910 -19.406 509 HB2 GLN 71 HB2 GLN 71 1.562 20.678 -17.594 510 HB3 GLN 71 HB3 GLN 71 1.550 20.687 -19.368 511 HG2 GLN 71 HG2 GLN 71 3.061 18.953 -19.491 512 HG3 GLN 71 HG3 GLN 71 3.989 19.518 -18.095 513 HE21 GLN 71 1HE2 GLN 71 3.920 18.270 -16.330 514 HE22 GLN 71 2HE2 GLN 71 2.603 17.211 -15.881 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -13.110 -10.918 -15.097 2 H2 GLY 1 H2 GLY 1 -12.945 -9.864 -13.778 3 H3 GLY 1 H3 GLY 1 -11.814 -9.834 -15.041 4 HA2 GLY 1 HA3 GLY 1 -11.139 -10.988 -12.907 5 HA3 GLY 1 HA2 GLY 1 -12.256 -12.265 -13.443 6 H SER 2 H SER 2 -9.228 -11.999 -13.121 7 HA SER 2 HA SER 2 -8.530 -13.010 -15.791 8 HB2 SER 2 HB2 SER 2 -6.286 -12.081 -15.550 9 HB3 SER 2 HB3 SER 2 -7.497 -10.778 -15.531 10 HG SER 2 HG SER 2 -5.935 -10.567 -13.864 11 H THR 3 H THR 3 -6.922 -14.685 -15.760 12 HA THR 3 HA THR 3 -7.060 -16.268 -13.339 13 HB THR 3 HB THR 3 -5.710 -16.872 -15.960 14 HG1 THR 3 HG1 THR 3 -7.589 -18.166 -16.206 15 HG21 THR 3 1HG2 THR 3 -6.453 -18.602 -13.563 16 HG22 THR 3 2HG2 THR 3 -5.750 -19.184 -15.092 17 HG23 THR 3 3HG2 THR 3 -4.803 -18.119 -14.026 18 H ALA 4 H ALA 4 -5.988 -14.813 -11.985 19 HA ALA 4 HA ALA 4 -3.105 -14.500 -12.439 20 HB1 ALA 4 HB1 ALA 4 -4.956 -12.956 -10.563 21 HB2 ALA 4 HB2 ALA 4 -3.202 -12.715 -10.742 22 HB3 ALA 4 HB3 ALA 4 -4.294 -12.338 -12.095 23 H MET 5 H MET 5 -1.799 -15.360 -10.746 24 HA MET 5 HA MET 5 -2.882 -17.497 -9.265 25 HB2 MET 5 HB2 MET 5 -0.745 -17.796 -8.311 26 HB3 MET 5 HB3 MET 5 -0.460 -17.270 -9.987 27 HG2 MET 5 HG2 MET 5 -0.334 -15.486 -7.528 28 HG3 MET 5 HG3 MET 5 1.063 -16.153 -8.407 29 HE1 MET 5 HE1 MET 5 2.123 -13.796 -8.426 30 HE2 MET 5 HE2 MET 5 1.301 -12.341 -9.040 31 HE3 MET 5 HE3 MET 5 0.706 -13.145 -7.568 32 H ALA 6 H ALA 6 -3.761 -17.693 -7.434 33 HA ALA 6 HA ALA 6 -4.846 -17.272 -5.554 34 HB1 ALA 6 HB1 ALA 6 -2.482 -15.477 -4.965 35 HB2 ALA 6 HB2 ALA 6 -3.689 -16.050 -3.790 36 HB3 ALA 6 HB3 ALA 6 -2.614 -17.214 -4.600 37 H THR 7 H THR 7 -5.508 -15.595 -7.928 38 HA THR 7 HA THR 7 -6.734 -13.874 -8.554 39 HB THR 7 HB THR 7 -8.695 -13.385 -7.335 40 HG1 THR 7 HG1 THR 7 -7.773 -13.440 -5.239 41 HG21 THR 7 1HG2 THR 7 -7.935 -16.334 -7.273 42 HG22 THR 7 2HG2 THR 7 -9.592 -15.684 -7.256 43 HG23 THR 7 3HG2 THR 7 -8.559 -15.447 -8.685 44 H THR 8 H THR 8 -4.225 -13.023 -7.814 45 HA THR 8 HA THR 8 -4.383 -10.769 -6.067 46 HB THR 8 HB THR 8 -2.319 -11.512 -8.144 47 HG1 THR 8 HG1 THR 8 -2.639 -13.037 -6.450 48 HG21 THR 8 1HG2 THR 8 -2.216 -9.599 -5.781 49 HG22 THR 8 2HG2 THR 8 -0.850 -10.031 -6.838 50 HG23 THR 8 3HG2 THR 8 -2.239 -9.133 -7.498 51 H MET 9 H MET 9 -4.698 -8.597 -6.588 52 HA MET 9 HA MET 9 -6.140 -8.121 -9.036 53 HB2 MET 9 HB2 MET 9 -6.654 -7.025 -6.760 54 HB3 MET 9 HB3 MET 9 -5.251 -5.984 -7.099 55 HG2 MET 9 HG2 MET 9 -7.263 -4.884 -7.946 56 HG3 MET 9 HG3 MET 9 -6.278 -5.419 -9.328 57 HE1 MET 9 HE1 MET 9 -8.193 -5.165 -11.033 58 HE2 MET 9 HE2 MET 9 -9.840 -5.795 -10.792 59 HE3 MET 9 HE3 MET 9 -9.216 -4.507 -9.733 60 H GLU 10 H GLU 10 -5.317 -7.265 -10.838 61 HA GLU 10 HA GLU 10 -2.543 -7.245 -11.314 62 HB2 GLU 10 HB2 GLU 10 -4.781 -6.138 -13.017 63 HB3 GLU 10 HB3 GLU 10 -3.113 -6.484 -13.529 64 HG2 GLU 10 HG2 GLU 10 -3.450 -8.878 -12.941 65 HG3 GLU 10 HG3 GLU 10 -5.134 -8.515 -12.494 66 H GLN 11 H GLN 11 -4.740 -4.387 -10.779 67 HA GLN 11 HA GLN 11 -2.608 -2.666 -11.666 68 HB2 GLN 11 HB2 GLN 11 -3.765 -0.761 -10.772 69 HB3 GLN 11 HB3 GLN 11 -4.786 -1.720 -11.870 70 HG2 GLN 11 HG2 GLN 11 -4.964 -2.408 -8.980 71 HG3 GLN 11 HG3 GLN 11 -5.620 -0.824 -9.458 72 HE21 GLN 11 1HE2 GLN 11 -7.781 -1.147 -9.335 73 HE22 GLN 11 2HE2 GLN 11 -8.649 -2.367 -10.238 74 H GLU 12 H GLU 12 -1.538 -1.068 -10.553 75 HA GLU 12 HA GLU 12 -0.290 -2.099 -8.178 76 HB2 GLU 12 HB2 GLU 12 0.249 0.477 -9.690 77 HB3 GLU 12 HB3 GLU 12 1.288 -0.304 -8.474 78 HG2 GLU 12 HG2 GLU 12 1.447 -2.286 -10.028 79 HG3 GLU 12 HG3 GLU 12 0.622 -1.297 -11.256 80 H ILE 13 H ILE 13 -1.933 -2.091 -6.695 81 HA ILE 13 HA ILE 13 -3.285 0.363 -5.957 82 HB ILE 13 HB ILE 13 -4.498 -0.955 -4.369 83 HG12 ILE 13 2HG1 ILE 13 -4.385 -3.469 -4.590 84 HG13 ILE 13 3HG1 ILE 13 -2.802 -3.255 -5.374 85 HG21 ILE 13 1HG2 ILE 13 -4.315 -2.143 -7.175 86 HG22 ILE 13 2HG2 ILE 13 -5.704 -2.298 -6.075 87 HG23 ILE 13 3HG2 ILE 13 -5.253 -0.702 -6.721 88 HD11 ILE 13 3HD1 ILE 13 -1.955 -2.128 -3.358 89 HD12 ILE 13 1HD1 ILE 13 -3.538 -2.341 -2.574 90 HD13 ILE 13 2HD1 ILE 13 -2.553 -3.764 -2.993 91 H CYS 14 H CYS 14 -0.246 -0.798 -4.836 92 HA CYS 14 HA CYS 14 -0.611 -0.133 -2.105 93 HB2 CYS 14 HB2 CYS 14 1.340 -1.451 -2.861 94 HB3 CYS 14 HB3 CYS 14 2.011 0.038 -3.571 95 H ALA 15 H ALA 15 -0.048 1.678 -0.962 96 HA ALA 15 HA ALA 15 -1.046 4.087 -1.969 97 HB1 ALA 15 HB1 ALA 15 0.691 3.567 0.474 98 HB2 ALA 15 HB2 ALA 15 -0.242 5.047 0.146 99 HB3 ALA 15 HB3 ALA 15 -1.087 3.506 0.425 100 H HIS 16 H HIS 16 2.358 2.987 -1.452 101 HA HIS 16 HA HIS 16 3.534 5.469 -2.036 102 HB2 HIS 16 HB2 HIS 16 4.616 2.663 -2.258 103 HB3 HIS 16 HB3 HIS 16 5.571 4.141 -2.526 104 HD2 HIS 16 HD2 HIS 16 6.806 5.110 -0.367 105 HE1 HIS 16 HE1 HIS 16 4.475 3.132 2.562 106 H SER 17 H SER 17 2.622 2.725 -4.258 107 HA SER 17 HA SER 17 2.074 4.153 -6.479 108 HB2 SER 17 HB2 SER 17 4.041 3.940 -7.969 109 HB3 SER 17 HB3 SER 17 4.280 5.152 -6.688 110 HG SER 17 HG SER 17 6.082 3.770 -6.954 111 H MET 18 H MET 18 4.251 1.398 -5.595 112 HA MET 18 HA MET 18 3.340 -0.169 -7.823 113 HB2 MET 18 HB2 MET 18 5.152 -0.979 -5.556 114 HB3 MET 18 HB3 MET 18 4.938 -1.780 -7.132 115 HG2 MET 18 HG2 MET 18 5.790 0.295 -8.233 116 HG3 MET 18 HG3 MET 18 6.134 0.958 -6.617 117 HE1 MET 18 HE1 MET 18 8.601 1.397 -7.396 118 HE2 MET 18 HE2 MET 18 9.666 0.146 -8.081 119 HE3 MET 18 HE3 MET 18 8.237 0.692 -8.988 120 H THR 19 H THR 19 3.254 -2.679 -7.240 121 HA THR 19 HA THR 19 0.526 -3.014 -6.414 122 HB THR 19 HB THR 19 2.671 -5.009 -7.255 123 HG1 THR 19 HG1 THR 19 2.123 -3.420 -8.831 124 HG21 THR 19 1HG2 THR 19 -0.357 -5.267 -7.175 125 HG22 THR 19 2HG2 THR 19 0.785 -6.479 -7.804 126 HG23 THR 19 3HG2 THR 19 0.784 -6.071 -6.072 127 H PHE 20 H PHE 20 -0.017 -4.811 -4.821 128 HA PHE 20 HA PHE 20 0.946 -4.342 -2.260 129 HB2 PHE 20 HB2 PHE 20 -1.323 -5.211 -2.871 130 HB3 PHE 20 HB3 PHE 20 -0.585 -6.688 -3.535 131 HD1 PHE 20 HD2 PHE 20 -1.273 -4.778 -0.430 132 HD2 PHE 20 HD1 PHE 20 0.100 -8.482 -2.125 133 HE1 PHE 20 HE2 PHE 20 -1.404 -5.850 1.802 134 HE2 PHE 20 HE1 PHE 20 -0.029 -9.554 0.107 135 HZ PHE 20 HZ PHE 20 -0.782 -8.236 2.074 136 H GLU 21 H GLU 21 1.618 -6.881 -4.732 137 HA GLU 21 HA GLU 21 3.324 -8.525 -3.228 138 HB2 GLU 21 HB2 GLU 21 2.087 -9.133 -5.335 139 HB3 GLU 21 HB3 GLU 21 3.165 -8.044 -6.239 140 HG2 GLU 21 HG2 GLU 21 5.101 -9.380 -5.641 141 HG3 GLU 21 HG3 GLU 21 4.113 -10.404 -4.573 142 H GLU 22 H GLU 22 3.832 -5.617 -5.252 143 HA GLU 22 HA GLU 22 6.722 -5.723 -5.035 144 HB2 GLU 22 HB2 GLU 22 4.847 -3.824 -6.500 145 HB3 GLU 22 HB3 GLU 22 6.624 -3.801 -6.574 146 HG2 GLU 22 HG2 GLU 22 4.887 -6.147 -7.415 147 HG3 GLU 22 HG3 GLU 22 5.579 -4.940 -8.524 148 H CYS 23 H CYS 23 4.487 -4.889 -2.819 149 HA CYS 23 HA CYS 23 4.921 -2.263 -2.142 150 HB2 CYS 23 HB2 CYS 23 3.161 -3.672 -1.138 151 HB3 CYS 23 HB3 CYS 23 4.415 -4.518 -0.198 152 HG CYS 23 HG CYS 23 3.182 -2.790 1.317 153 HA PRO 24 HA PRO 24 8.609 -3.388 0.646 154 HB2 PRO 24 HB2 PRO 24 10.405 -5.247 -0.191 155 HB3 PRO 24 HB3 PRO 24 9.121 -5.578 0.996 156 HG2 PRO 24 HG2 PRO 24 9.149 -6.140 -2.003 157 HG3 PRO 24 HG3 PRO 24 8.576 -7.196 -0.689 158 HD2 PRO 24 HD2 PRO 24 6.825 -5.709 -2.169 159 HD3 PRO 24 HD3 PRO 24 6.552 -6.017 -0.438 160 H LYS 25 H LYS 25 8.782 -3.682 -2.931 161 HA LYS 25 HA LYS 25 11.220 -2.238 -3.197 162 HB2 LYS 25 HB2 LYS 25 9.052 -2.634 -5.250 163 HB3 LYS 25 HB3 LYS 25 10.687 -1.988 -5.523 164 HG2 LYS 25 HG2 LYS 25 11.614 -4.148 -4.604 165 HG3 LYS 25 HG3 LYS 25 9.952 -4.781 -4.559 166 HD2 LYS 25 HD2 LYS 25 11.017 -5.507 -6.625 167 HD3 LYS 25 HD3 LYS 25 9.762 -4.307 -7.018 168 HE2 LYS 25 HE2 LYS 25 11.814 -3.885 -8.305 169 HE3 LYS 25 HE3 LYS 25 11.499 -2.551 -7.170 170 HZ1 LYS 25 HZ1 LYS 25 13.378 -4.756 -6.739 171 HZ2 LYS 25 HZ2 LYS 25 13.776 -3.212 -7.165 172 HZ3 LYS 25 HZ3 LYS 25 13.091 -3.511 -5.694 173 H CYS 26 H CYS 26 7.900 -1.232 -2.544 174 HA CYS 26 HA CYS 26 7.931 1.324 -3.669 175 HB2 CYS 26 HB2 CYS 26 6.456 0.162 -1.290 176 HB3 CYS 26 HB3 CYS 26 6.192 1.800 -1.934 177 HG CYS 26 HG CYS 26 4.264 0.243 -2.644 178 H SER 27 H SER 27 9.223 -0.022 -0.610 179 HA SER 27 HA SER 27 9.648 2.367 0.798 180 HB2 SER 27 HB2 SER 27 11.193 -0.246 0.909 181 HB3 SER 27 HB3 SER 27 11.248 1.066 2.110 182 HG SER 27 HG SER 27 9.778 -0.598 2.680 183 H ALA 28 H ALA 28 11.577 0.601 -1.686 184 HA ALA 28 HA ALA 28 13.949 2.142 -1.374 185 HB1 ALA 28 HB1 ALA 28 12.940 0.618 -3.800 186 HB2 ALA 28 HB2 ALA 28 14.577 1.279 -3.575 187 HB3 ALA 28 HB3 ALA 28 13.996 -0.035 -2.525 188 H LEU 29 H LEU 29 14.485 4.080 -2.413 189 HA LEU 29 HA LEU 29 12.266 5.536 -3.613 190 HB2 LEU 29 HB2 LEU 29 14.761 6.234 -2.145 191 HB3 LEU 29 HB3 LEU 29 14.245 7.345 -3.436 192 HG LEU 29 HG LEU 29 11.960 7.400 -2.376 193 HD11 LEU 29 1HD1 LEU 29 13.354 5.949 -0.107 194 HD12 LEU 29 2HD1 LEU 29 11.725 6.663 -0.055 195 HD13 LEU 29 3HD1 LEU 29 12.062 5.291 -1.137 196 HD21 LEU 29 3HD2 LEU 29 14.310 8.249 -0.635 197 HD22 LEU 29 1HD2 LEU 29 13.629 9.174 -1.995 198 HD23 LEU 29 2HD2 LEU 29 12.654 8.892 -0.532 199 H GLN 30 H GLN 30 14.269 3.451 -5.055 200 HA GLN 30 HA GLN 30 15.648 5.002 -6.952 201 HB2 GLN 30 HB2 GLN 30 14.720 2.153 -7.198 202 HB3 GLN 30 HB3 GLN 30 15.877 2.996 -8.249 203 HG2 GLN 30 HG2 GLN 30 16.199 2.508 -5.258 204 HG3 GLN 30 HG3 GLN 30 17.054 1.653 -6.554 205 HE21 GLN 30 2HE2 GLN 30 17.311 4.142 -4.330 206 HE22 GLN 30 1HE2 GLN 30 18.563 5.090 -5.101 207 H TYR 31 H TYR 31 12.305 3.757 -6.983 208 HA TYR 31 HA TYR 31 11.754 4.323 -9.667 209 HB2 TYR 31 HB2 TYR 31 10.314 2.901 -8.268 210 HB3 TYR 31 HB3 TYR 31 9.965 4.261 -7.196 211 HD1 TYR 31 HD1 TYR 31 9.515 2.997 -10.675 212 HD2 TYR 31 HD2 TYR 31 8.228 5.799 -7.677 213 HE1 TYR 31 HE1 TYR 31 7.570 3.608 -12.088 214 HE2 TYR 31 HE2 TYR 31 6.278 6.414 -9.078 215 HH TYR 31 HH TYR 31 5.688 4.905 -12.282 216 H ARG 32 H ARG 32 11.547 6.344 -6.665 217 HA ARG 32 HA ARG 32 10.240 8.555 -7.812 218 HB2 ARG 32 HB2 ARG 32 12.115 8.460 -5.422 219 HB3 ARG 32 HB3 ARG 32 11.078 9.825 -5.900 220 HG2 ARG 32 HG2 ARG 32 9.089 8.262 -5.771 221 HG3 ARG 32 HG3 ARG 32 10.179 7.037 -5.083 222 HD2 ARG 32 HD2 ARG 32 10.784 8.735 -3.294 223 HD3 ARG 32 HD3 ARG 32 9.487 9.765 -3.926 224 HE ARG 32 HE ARG 32 8.483 7.134 -3.435 225 HH11 ARG 32 2HH1 ARG 32 9.572 10.035 -1.723 226 HH12 ARG 32 1HH1 ARG 32 8.619 9.704 -0.294 227 HH21 ARG 32 2HH2 ARG 32 7.245 6.701 -1.556 228 HH22 ARG 32 1HH2 ARG 32 7.294 7.805 -0.199 229 H ASN 33 H ASN 33 13.721 7.684 -7.455 230 HA ASN 33 HA ASN 33 14.736 10.158 -8.375 231 HB2 ASN 33 HB2 ASN 33 16.020 7.403 -8.487 232 HB3 ASN 33 HB3 ASN 33 16.841 8.951 -8.780 233 HD21 ASN 33 1HD2 ASN 33 16.606 6.626 -6.523 234 HD22 ASN 33 2HD2 ASN 33 16.733 7.570 -5.055 235 H GLY 34 H GLY 34 15.694 10.660 -10.420 236 HA2 GLY 34 HA2 GLY 34 16.121 10.334 -12.658 237 HA3 GLY 34 HA3 GLY 34 15.059 8.918 -12.668 238 H PHE 35 H PHE 35 13.527 11.468 -10.965 239 HA PHE 35 HA PHE 35 11.995 12.199 -13.365 240 HB2 PHE 35 HB2 PHE 35 11.111 12.103 -10.511 241 HB3 PHE 35 HB3 PHE 35 10.313 13.098 -11.738 242 HD1 PHE 35 HD2 PHE 35 9.137 12.131 -13.619 243 HD2 PHE 35 HD1 PHE 35 11.007 9.615 -10.678 244 HE1 PHE 35 HE2 PHE 35 7.871 10.180 -14.476 245 HE2 PHE 35 HE1 PHE 35 9.722 7.675 -11.520 246 HZ PHE 35 HZ PHE 35 8.157 7.952 -13.418 247 H TYR 36 H TYR 36 11.569 14.270 -13.844 248 HA TYR 36 HA TYR 36 13.645 16.094 -13.495 249 HB2 TYR 36 HB2 TYR 36 12.218 15.930 -15.485 250 HB3 TYR 36 HB3 TYR 36 10.780 16.300 -14.526 251 HD1 TYR 36 HD1 TYR 36 14.189 17.857 -14.970 252 HD2 TYR 36 HD2 TYR 36 9.924 18.398 -14.902 253 HE1 TYR 36 HE1 TYR 36 14.494 20.272 -15.439 254 HE2 TYR 36 HE2 TYR 36 10.216 20.811 -15.372 255 HH TYR 36 HH TYR 36 13.453 22.297 -15.783 256 H LEU 37 H LEU 37 10.320 16.163 -11.921 257 HA LEU 37 HA LEU 37 11.610 17.979 -9.993 258 HB2 LEU 37 HB2 LEU 37 8.824 18.341 -11.119 259 HB3 LEU 37 HB3 LEU 37 9.476 19.184 -9.706 260 HG LEU 37 HG LEU 37 10.665 19.338 -12.505 261 HD11 LEU 37 1HD1 LEU 37 8.924 21.315 -10.968 262 HD12 LEU 37 2HD1 LEU 37 9.658 21.594 -12.563 263 HD13 LEU 37 3HD1 LEU 37 8.401 20.351 -12.371 264 HD21 LEU 37 3HD2 LEU 37 11.182 20.941 -9.960 265 HD22 LEU 37 1HD2 LEU 37 12.309 19.789 -10.714 266 HD23 LEU 37 2HD2 LEU 37 11.882 21.290 -11.557 267 H LEU 38 H LEU 38 11.437 17.243 -8.002 268 HA LEU 38 HA LEU 38 9.988 14.922 -7.298 269 HB2 LEU 38 HB2 LEU 38 11.325 17.036 -5.595 270 HB3 LEU 38 HB3 LEU 38 10.597 15.548 -4.972 271 HG LEU 38 HG LEU 38 12.887 15.658 -6.978 272 HD11 LEU 38 1HD1 LEU 38 12.818 14.978 -4.003 273 HD12 LEU 38 2HD1 LEU 38 14.243 14.865 -5.062 274 HD13 LEU 38 3HD1 LEU 38 13.516 16.451 -4.718 275 HD21 LEU 38 3HD2 LEU 38 11.583 13.338 -5.478 276 HD22 LEU 38 1HD2 LEU 38 11.541 13.610 -7.238 277 HD23 LEU 38 2HD2 LEU 38 13.075 13.223 -6.437 278 H LYS 39 H LYS 39 9.454 18.404 -6.995 279 HA LYS 39 HA LYS 39 7.290 18.455 -5.244 280 HB2 LYS 39 HB2 LYS 39 8.126 20.350 -7.488 281 HB3 LYS 39 HB3 LYS 39 6.930 20.718 -6.230 282 HG2 LYS 39 HG2 LYS 39 8.662 20.401 -4.483 283 HG3 LYS 39 HG3 LYS 39 9.872 20.083 -5.752 284 HD2 LYS 39 HD2 LYS 39 9.458 22.319 -6.719 285 HD3 LYS 39 HD3 LYS 39 8.221 22.635 -5.482 286 HE2 LYS 39 HE2 LYS 39 9.926 22.399 -3.711 287 HE3 LYS 39 HE3 LYS 39 11.165 22.080 -4.941 288 HZ1 LYS 39 HZ1 LYS 39 9.593 24.548 -4.691 289 HZ2 LYS 39 HZ2 LYS 39 10.742 24.252 -5.837 290 HZ3 LYS 39 HZ3 LYS 39 11.170 24.357 -4.247 291 H TYR 40 H TYR 40 7.401 17.602 -8.706 292 HA TYR 40 HA TYR 40 4.785 18.372 -9.406 293 HB2 TYR 40 HB2 TYR 40 6.626 17.897 -10.993 294 HB3 TYR 40 HB3 TYR 40 6.569 16.190 -10.535 295 HD1 TYR 40 HD1 TYR 40 4.404 18.949 -11.828 296 HD2 TYR 40 HD2 TYR 40 5.210 14.732 -11.772 297 HE1 TYR 40 HE1 TYR 40 2.630 18.599 -13.525 298 HE2 TYR 40 HE2 TYR 40 3.487 14.373 -13.518 299 HH TYR 40 HH TYR 40 1.567 17.087 -14.879 300 H ASP 41 H ASP 41 2.830 17.478 -9.075 301 HA ASP 41 HA ASP 41 2.695 15.334 -7.146 302 HB2 ASP 41 HB2 ASP 41 1.267 17.298 -6.851 303 HB3 ASP 41 HB3 ASP 41 0.491 16.981 -8.416 304 H GLU 42 H GLU 42 2.475 13.386 -7.414 305 HA GLU 42 HA GLU 42 1.051 12.174 -9.614 306 HB2 GLU 42 HB2 GLU 42 3.977 11.605 -9.074 307 HB3 GLU 42 HB3 GLU 42 2.898 10.486 -9.927 308 HG2 GLU 42 HG2 GLU 42 3.442 13.352 -10.788 309 HG3 GLU 42 HG3 GLU 42 4.202 11.910 -11.481 310 H GLU 43 H GLU 43 1.575 9.554 -9.015 311 HA GLU 43 HA GLU 43 0.070 9.012 -6.750 312 HB2 GLU 43 HB2 GLU 43 2.075 7.235 -8.216 313 HB3 GLU 43 HB3 GLU 43 0.824 6.681 -7.085 314 HG2 GLU 43 HG2 GLU 43 -0.921 7.632 -8.592 315 HG3 GLU 43 HG3 GLU 43 0.350 8.079 -9.748 316 H TRP 44 H TRP 44 3.667 8.946 -7.256 317 HA TRP 44 HA TRP 44 4.214 7.894 -4.669 318 HB2 TRP 44 HB2 TRP 44 6.484 8.263 -5.048 319 HB3 TRP 44 HB3 TRP 44 5.803 7.648 -6.550 320 HD1 TRP 44 HD1 TRP 44 7.454 10.691 -5.013 321 HE1 TRP 44 HE1 TRP 44 8.240 12.286 -6.836 322 HE3 TRP 44 HE3 TRP 44 5.241 8.443 -9.033 323 HZ2 TRP 44 HZ2 TRP 44 7.983 12.534 -9.714 324 HZ3 TRP 44 HZ3 TRP 44 5.551 9.367 -11.301 325 HH2 TRP 44 HH2 TRP 44 6.911 11.407 -11.656 326 H TYR 45 H TYR 45 5.371 8.974 -2.941 327 HA TYR 45 HA TYR 45 4.061 11.439 -2.261 328 HB2 TYR 45 HB2 TYR 45 6.262 9.898 -0.819 329 HB3 TYR 45 HB3 TYR 45 5.410 11.311 -0.183 330 HD1 TYR 45 HD1 TYR 45 5.128 7.720 -1.010 331 HD2 TYR 45 HD2 TYR 45 3.097 11.167 0.566 332 HE1 TYR 45 HE1 TYR 45 3.357 6.249 -0.096 333 HE2 TYR 45 HE2 TYR 45 1.306 9.705 1.465 334 HH TYR 45 HH TYR 45 1.379 6.137 1.050 335 HA PRO 46 HA PRO 46 7.283 13.924 -4.139 336 HB2 PRO 46 HB2 PRO 46 6.009 16.005 -2.372 337 HB3 PRO 46 HB3 PRO 46 6.438 16.126 -4.111 338 HG2 PRO 46 HG2 PRO 46 3.864 15.740 -3.385 339 HG3 PRO 46 HG3 PRO 46 4.562 14.774 -4.732 340 HD2 PRO 46 HD2 PRO 46 4.186 13.953 -1.839 341 HD3 PRO 46 HD3 PRO 46 3.800 13.044 -3.336 342 H GLU 47 H GLU 47 6.721 13.954 -0.578 343 HA GLU 47 HA GLU 47 9.305 15.089 -0.052 344 HB2 GLU 47 HB2 GLU 47 7.417 15.325 1.584 345 HB3 GLU 47 HB3 GLU 47 7.444 13.568 1.828 346 HG2 GLU 47 HG2 GLU 47 9.814 13.714 2.562 347 HG3 GLU 47 HG3 GLU 47 9.784 15.467 2.304 348 H GLU 48 H GLU 48 11.199 13.847 0.001 349 HA GLU 48 HA GLU 48 10.861 10.956 -0.287 350 HB2 GLU 48 HB2 GLU 48 13.118 12.818 -0.899 351 HB3 GLU 48 HB3 GLU 48 13.345 11.057 -0.803 352 HG2 GLU 48 HG2 GLU 48 11.582 10.818 -2.562 353 HG3 GLU 48 HG3 GLU 48 11.469 12.590 -2.656 354 H LEU 49 H LEU 49 11.361 9.585 1.207 355 HA LEU 49 HA LEU 49 11.733 10.291 3.875 356 HB2 LEU 49 HB2 LEU 49 12.299 7.639 2.467 357 HB3 LEU 49 HB3 LEU 49 11.974 7.866 4.195 358 HG LEU 49 HG LEU 49 10.022 8.438 1.918 359 HD11 LEU 49 1HD1 LEU 49 10.091 6.236 4.022 360 HD12 LEU 49 2HD1 LEU 49 8.811 6.485 2.810 361 HD13 LEU 49 3HD1 LEU 49 10.451 6.036 2.290 362 HD21 LEU 49 3HD2 LEU 49 9.674 8.560 4.946 363 HD22 LEU 49 1HD2 LEU 49 9.635 9.944 3.826 364 HD23 LEU 49 2HD2 LEU 49 8.363 8.708 3.752 365 H LEU 50 H LEU 50 14.100 8.947 1.486 366 HA LEU 50 HA LEU 50 16.213 8.720 3.343 367 HB2 LEU 50 HB2 LEU 50 16.330 8.944 0.330 368 HB3 LEU 50 HB3 LEU 50 17.653 8.449 1.401 369 HG LEU 50 HG LEU 50 14.989 6.995 1.100 370 HD11 LEU 50 1HD1 LEU 50 17.794 6.276 0.147 371 HD12 LEU 50 2HD1 LEU 50 16.328 5.289 -0.061 372 HD13 LEU 50 3HD1 LEU 50 16.472 6.855 -0.890 373 HD21 LEU 50 3HD2 LEU 50 17.519 6.288 2.649 374 HD22 LEU 50 1HD2 LEU 50 15.927 6.676 3.348 375 HD23 LEU 50 2HD2 LEU 50 16.138 5.197 2.391 376 H THR 51 H THR 51 15.265 11.376 1.094 377 HA THR 51 HA THR 51 17.667 12.833 1.786 378 HB THR 51 HB THR 51 16.707 14.532 0.297 379 HG1 THR 51 HG1 THR 51 14.881 13.918 -0.887 380 HG21 THR 51 1HG2 THR 51 16.748 11.714 -0.865 381 HG22 THR 51 2HG2 THR 51 16.979 13.226 -1.772 382 HG23 THR 51 3HG2 THR 51 18.188 12.715 -0.572 383 H ASP 52 H ASP 52 17.371 12.976 4.102 384 HA ASP 52 HA ASP 52 15.046 14.521 4.958 385 HB2 ASP 52 HB2 ASP 52 15.705 12.667 6.415 386 HB3 ASP 52 HB3 ASP 52 17.348 13.326 6.556 387 H GLY 53 H GLY 53 15.206 16.581 4.422 388 HA2 GLY 53 HA2 GLY 53 15.793 18.713 4.797 389 HA3 GLY 53 HA3 GLY 53 17.342 18.192 5.469 390 H GLU 54 H GLU 54 17.461 16.435 2.719 391 HA GLU 54 HA GLU 54 19.130 18.316 1.386 392 HB2 GLU 54 HB2 GLU 54 18.076 15.708 0.309 393 HB3 GLU 54 HB3 GLU 54 19.437 16.651 -0.293 394 HG2 GLU 54 HG2 GLU 54 20.653 16.306 1.813 395 HG3 GLU 54 HG3 GLU 54 19.269 15.430 2.494 396 H ASP 55 H ASP 55 15.793 17.083 0.828 397 HA ASP 55 HA ASP 55 15.355 18.333 -1.639 398 HB2 ASP 55 HB2 ASP 55 13.398 17.551 0.558 399 HB3 ASP 55 HB3 ASP 55 12.928 18.151 -1.039 400 H ASP 56 H ASP 56 14.761 19.344 1.751 401 HA ASP 56 HA ASP 56 14.157 21.229 2.749 402 HB2 ASP 56 HB2 ASP 56 16.431 21.852 1.995 403 HB3 ASP 56 HB3 ASP 56 15.725 22.591 0.545 404 H VAL 57 H VAL 57 12.088 20.135 1.236 405 HA VAL 57 HA VAL 57 10.828 22.486 -0.012 406 HB VAL 57 HB VAL 57 9.992 19.565 -0.024 407 HG11 VAL 57 1HG1 VAL 57 8.812 22.025 -1.391 408 HG12 VAL 57 2HG1 VAL 57 8.297 20.345 -1.666 409 HG13 VAL 57 3HG1 VAL 57 8.053 21.096 -0.076 410 HG21 VAL 57 3HG2 VAL 57 11.100 21.383 -2.206 411 HG22 VAL 57 1HG2 VAL 57 11.982 20.056 -1.421 412 HG23 VAL 57 2HG2 VAL 57 10.559 19.703 -2.427 413 H PHE 58 H PHE 58 10.445 19.746 2.348 414 HA PHE 58 HA PHE 58 8.088 20.753 3.552 415 HB2 PHE 58 HB2 PHE 58 9.782 18.410 4.063 416 HB3 PHE 58 HB3 PHE 58 8.647 19.012 5.295 417 HD1 PHE 58 HD1 PHE 58 8.847 18.089 1.665 418 HD2 PHE 58 HD2 PHE 58 6.316 18.746 5.079 419 HE1 PHE 58 HE1 PHE 58 6.874 17.365 0.346 420 HE2 PHE 58 HE2 PHE 58 4.350 18.005 3.766 421 HZ PHE 58 HZ PHE 58 4.627 17.320 1.396 422 H ASP 59 H ASP 59 11.482 21.384 4.505 423 HA ASP 59 HA ASP 59 10.699 22.444 7.012 424 HB2 ASP 59 HB2 ASP 59 13.150 23.168 5.382 425 HB3 ASP 59 HB3 ASP 59 12.834 23.578 7.075 426 HA PRO 60 HA PRO 60 10.247 26.713 4.932 427 HB2 PRO 60 HB2 PRO 60 9.760 26.088 2.044 428 HB3 PRO 60 HB3 PRO 60 10.647 27.478 2.761 429 HG2 PRO 60 HG2 PRO 60 11.996 25.410 1.614 430 HG3 PRO 60 HG3 PRO 60 12.574 26.138 3.150 431 HD2 PRO 60 HD2 PRO 60 10.989 23.597 2.772 432 HD3 PRO 60 HD3 PRO 60 12.404 23.897 3.804 433 H ASP 61 H ASP 61 8.456 23.898 3.783 434 HA ASP 61 HA ASP 61 6.325 23.359 3.564 435 HB2 ASP 61 HB2 ASP 61 6.463 23.866 6.030 436 HB3 ASP 61 HB3 ASP 61 5.728 25.442 5.676 437 H LEU 62 H LEU 62 7.257 25.061 1.555 438 HA LEU 62 HA LEU 62 4.820 26.627 1.023 439 HB2 LEU 62 HB2 LEU 62 6.777 28.113 1.232 440 HB3 LEU 62 HB3 LEU 62 7.672 27.114 0.074 441 HG LEU 62 HG LEU 62 5.932 27.620 -1.657 442 HD11 LEU 62 1HD1 LEU 62 4.917 29.557 0.468 443 HD12 LEU 62 2HD1 LEU 62 4.399 29.532 -1.233 444 HD13 LEU 62 3HD1 LEU 62 4.036 28.151 -0.179 445 HD21 LEU 62 3HD2 LEU 62 7.265 30.035 -0.366 446 HD22 LEU 62 1HD2 LEU 62 8.028 28.910 -1.515 447 HD23 LEU 62 2HD2 LEU 62 6.678 29.940 -2.044 448 H ASP 63 H ASP 63 3.654 25.873 -0.687 449 HA ASP 63 HA ASP 63 4.947 23.873 -2.422 450 HB2 ASP 63 HB2 ASP 63 2.979 22.969 -1.199 451 HB3 ASP 63 HB3 ASP 63 1.981 24.301 -1.806 452 H MET 64 H MET 64 5.334 24.792 -4.461 453 HA MET 64 HA MET 64 3.720 27.156 -5.166 454 HB2 MET 64 HB2 MET 64 6.552 26.461 -6.008 455 HB3 MET 64 HB3 MET 64 5.582 27.796 -6.671 456 HG2 MET 64 HG2 MET 64 5.415 28.830 -4.479 457 HG3 MET 64 HG3 MET 64 6.235 27.458 -3.723 458 HE1 MET 64 HE1 MET 64 8.621 26.689 -5.394 459 HE2 MET 64 HE2 MET 64 9.898 27.749 -4.754 460 HE3 MET 64 HE3 MET 64 8.706 27.022 -3.649 461 H GLU 65 H GLU 65 2.174 26.461 -6.478 462 HA GLU 65 HA GLU 65 2.213 24.087 -7.962 463 HB2 GLU 65 HB2 GLU 65 0.406 26.485 -8.243 464 HB3 GLU 65 HB3 GLU 65 0.191 24.900 -9.021 465 HG2 GLU 65 HG2 GLU 65 0.198 23.831 -6.760 466 HG3 GLU 65 HG3 GLU 65 0.265 25.444 -6.026 467 H VAL 66 H VAL 66 2.983 27.435 -8.892 468 HA VAL 66 HA VAL 66 3.087 27.046 -11.660 469 HB VAL 66 HB VAL 66 4.587 28.998 -9.892 470 HG11 VAL 66 1HG1 VAL 66 3.966 29.003 -12.878 471 HG12 VAL 66 2HG1 VAL 66 4.696 30.352 -11.975 472 HG13 VAL 66 3HG1 VAL 66 5.576 28.818 -12.142 473 HG21 VAL 66 3HG2 VAL 66 1.932 29.205 -11.377 474 HG22 VAL 66 1HG2 VAL 66 2.138 29.133 -9.611 475 HG23 VAL 66 2HG2 VAL 66 2.742 30.536 -10.517 476 H VAL 67 H VAL 67 5.627 26.664 -9.086 477 HA VAL 67 HA VAL 67 7.775 26.201 -10.852 478 HB VAL 67 HB VAL 67 7.368 25.330 -7.991 479 HG11 VAL 67 1HG1 VAL 67 9.869 25.439 -9.729 480 HG12 VAL 67 2HG1 VAL 67 9.842 25.125 -7.978 481 HG13 VAL 67 3HG1 VAL 67 9.093 23.968 -9.097 482 HG21 VAL 67 3HG2 VAL 67 8.806 27.702 -9.257 483 HG22 VAL 67 1HG2 VAL 67 7.295 27.774 -8.321 484 HG23 VAL 67 2HG2 VAL 67 8.809 27.296 -7.526 485 H PHE 68 H PHE 68 5.504 23.828 -9.206 486 HA PHE 68 HA PHE 68 6.867 21.666 -10.539 487 HB2 PHE 68 HB2 PHE 68 5.569 20.136 -9.676 488 HB3 PHE 68 HB3 PHE 68 5.945 21.264 -8.392 489 HD1 PHE 68 HD1 PHE 68 3.252 19.971 -10.585 490 HD2 PHE 68 HD2 PHE 68 4.234 22.342 -7.138 491 HE1 PHE 68 HE1 PHE 68 0.894 19.872 -9.851 492 HE2 PHE 68 HE2 PHE 68 1.868 22.250 -6.406 493 HZ PHE 68 HZ PHE 68 0.196 21.012 -7.759 494 H GLU 69 H GLU 69 3.988 23.529 -11.460 495 HA GLU 69 HA GLU 69 3.464 21.670 -13.593 496 HB2 GLU 69 HB2 GLU 69 2.310 24.416 -13.039 497 HB3 GLU 69 HB3 GLU 69 1.746 23.283 -14.286 498 HG2 GLU 69 HG2 GLU 69 1.123 21.648 -12.588 499 HG3 GLU 69 HG3 GLU 69 1.815 22.654 -11.307 500 H THR 70 H THR 70 5.645 21.725 -14.472 501 HA THR 70 HA THR 70 6.701 23.985 -15.806 502 HB THR 70 HB THR 70 7.133 21.022 -16.274 503 HG1 THR 70 HG1 THR 70 7.558 21.745 -14.141 504 HG21 THR 70 1HG2 THR 70 8.815 23.474 -16.960 505 HG22 THR 70 2HG2 THR 70 9.308 21.781 -17.197 506 HG23 THR 70 3HG2 THR 70 7.948 22.447 -18.127 507 H GLN 71 H GLN 71 4.562 21.242 -16.682 508 HA GLN 71 HA GLN 71 4.287 22.068 -19.434 509 HB2 GLN 71 HB2 GLN 71 2.687 20.202 -19.580 510 HB3 GLN 71 HB3 GLN 71 4.284 19.681 -19.034 511 HG2 GLN 71 HG2 GLN 71 2.036 20.258 -17.070 512 HG3 GLN 71 HG3 GLN 71 2.222 18.689 -17.865 513 HE21 GLN 71 1HE2 GLN 71 3.223 20.623 -15.228 514 HE22 GLN 71 2HE2 GLN 71 4.528 19.602 -14.665 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -13.012 -10.422 -15.409 2 H2 GLY 1 H2 GLY 1 -12.846 -9.360 -14.096 3 H3 GLY 1 H3 GLY 1 -11.682 -9.380 -15.330 4 HA2 GLY 1 HA3 GLY 1 -11.100 -10.533 -13.169 5 HA3 GLY 1 HA2 GLY 1 -12.245 -11.779 -13.721 6 H SER 2 H SER 2 -9.218 -11.608 -13.324 7 HA SER 2 HA SER 2 -8.487 -12.669 -15.965 8 HB2 SER 2 HB2 SER 2 -6.220 -11.812 -15.676 9 HB3 SER 2 HB3 SER 2 -7.388 -10.469 -15.701 10 HG SER 2 HG SER 2 -5.862 -10.292 -13.996 11 H THR 3 H THR 3 -6.935 -14.395 -15.877 12 HA THR 3 HA THR 3 -7.187 -15.947 -13.445 13 HB THR 3 HB THR 3 -5.791 -16.622 -16.025 14 HG1 THR 3 HG1 THR 3 -7.705 -17.857 -16.306 15 HG21 THR 3 1HG2 THR 3 -6.651 -18.303 -13.631 16 HG22 THR 3 2HG2 THR 3 -5.929 -18.923 -15.136 17 HG23 THR 3 3HG2 THR 3 -4.975 -17.878 -14.056 18 H ALA 4 H ALA 4 -6.102 -14.514 -12.078 19 HA ALA 4 HA ALA 4 -3.200 -14.299 -12.462 20 HB1 ALA 4 HB1 ALA 4 -5.046 -12.677 -10.648 21 HB2 ALA 4 HB2 ALA 4 -3.281 -12.495 -10.785 22 HB3 ALA 4 HB3 ALA 4 -4.326 -12.097 -12.169 23 H MET 5 H MET 5 -1.966 -15.184 -10.727 24 HA MET 5 HA MET 5 -3.156 -17.269 -9.254 25 HB2 MET 5 HB2 MET 5 -1.054 -17.627 -8.242 26 HB3 MET 5 HB3 MET 5 -0.710 -17.129 -9.915 27 HG2 MET 5 HG2 MET 5 -0.587 -15.324 -7.471 28 HG3 MET 5 HG3 MET 5 0.808 -16.045 -8.308 29 HE1 MET 5 HE1 MET 5 1.945 -13.724 -8.323 30 HE2 MET 5 HE2 MET 5 1.188 -12.250 -8.971 31 HE3 MET 5 HE3 MET 5 0.529 -13.019 -7.507 32 H ALA 6 H ALA 6 -4.087 -17.417 -7.444 33 HA ALA 6 HA ALA 6 -5.205 -16.941 -5.597 34 HB1 ALA 6 HB1 ALA 6 -2.798 -15.219 -4.964 35 HB2 ALA 6 HB2 ALA 6 -4.053 -15.739 -3.815 36 HB3 ALA 6 HB3 ALA 6 -2.997 -16.946 -4.586 37 H THR 7 H THR 7 -5.751 -15.268 -8.003 38 HA THR 7 HA THR 7 -6.903 -13.515 -8.677 39 HB THR 7 HB THR 7 -8.877 -12.950 -7.513 40 HG1 THR 7 HG1 THR 7 -8.011 -13.013 -5.393 41 HG21 THR 7 1HG2 THR 7 -8.216 -15.921 -7.403 42 HG22 THR 7 2HG2 THR 7 -9.851 -15.217 -7.435 43 HG23 THR 7 3HG2 THR 7 -8.775 -15.030 -8.839 44 H THR 8 H THR 8 -4.388 -12.739 -7.880 45 HA THR 8 HA THR 8 -4.515 -10.462 -6.161 46 HB THR 8 HB THR 8 -2.425 -11.295 -8.176 47 HG1 THR 8 HG1 THR 8 -2.838 -12.790 -6.477 48 HG21 THR 8 1HG2 THR 8 -2.319 -9.361 -5.830 49 HG22 THR 8 2HG2 THR 8 -0.942 -9.848 -6.847 50 HG23 THR 8 3HG2 THR 8 -2.283 -8.913 -7.551 51 H MET 9 H MET 9 -4.746 -8.287 -6.710 52 HA MET 9 HA MET 9 -6.109 -7.790 -9.199 53 HB2 MET 9 HB2 MET 9 -6.644 -6.654 -6.948 54 HB3 MET 9 HB3 MET 9 -5.199 -5.663 -7.260 55 HG2 MET 9 HG2 MET 9 -7.152 -4.507 -8.169 56 HG3 MET 9 HG3 MET 9 -6.150 -5.089 -9.520 57 HE1 MET 9 HE1 MET 9 -8.012 -4.790 -11.275 58 HE2 MET 9 HE2 MET 9 -9.685 -5.364 -11.071 59 HE3 MET 9 HE3 MET 9 -9.046 -4.085 -10.009 60 H GLU 10 H GLU 10 -5.213 -6.980 -10.987 61 HA GLU 10 HA GLU 10 -2.429 -7.056 -11.392 62 HB2 GLU 10 HB2 GLU 10 -4.586 -5.894 -13.162 63 HB3 GLU 10 HB3 GLU 10 -2.917 -6.300 -13.628 64 HG2 GLU 10 HG2 GLU 10 -3.348 -8.675 -13.026 65 HG3 GLU 10 HG3 GLU 10 -5.029 -8.252 -12.625 66 H GLN 11 H GLN 11 -4.543 -4.122 -10.941 67 HA GLN 11 HA GLN 11 -2.334 -2.480 -11.789 68 HB2 GLN 11 HB2 GLN 11 -3.450 -0.530 -10.944 69 HB3 GLN 11 HB3 GLN 11 -4.474 -1.467 -12.059 70 HG2 GLN 11 HG2 GLN 11 -4.747 -2.118 -9.167 71 HG3 GLN 11 HG3 GLN 11 -5.339 -0.518 -9.678 72 HE21 GLN 11 1HE2 GLN 11 -7.512 -0.769 -9.606 73 HE22 GLN 11 2HE2 GLN 11 -8.396 -1.971 -10.520 74 H GLU 12 H GLU 12 -1.241 -0.907 -10.665 75 HA GLU 12 HA GLU 12 -0.088 -1.953 -8.249 76 HB2 GLU 12 HB2 GLU 12 0.573 0.588 -9.771 77 HB3 GLU 12 HB3 GLU 12 1.555 -0.214 -8.522 78 HG2 GLU 12 HG2 GLU 12 1.689 -2.216 -10.052 79 HG3 GLU 12 HG3 GLU 12 0.927 -1.213 -11.310 80 H ILE 13 H ILE 13 -1.767 -1.876 -6.808 81 HA ILE 13 HA ILE 13 -3.056 0.628 -6.129 82 HB ILE 13 HB ILE 13 -4.351 -0.633 -4.560 83 HG12 ILE 13 2HG1 ILE 13 -4.315 -3.151 -4.754 84 HG13 ILE 13 3HG1 ILE 13 -2.707 -2.998 -5.500 85 HG21 ILE 13 1HG2 ILE 13 -4.136 -1.856 -7.349 86 HG22 ILE 13 2HG2 ILE 13 -5.557 -1.954 -6.284 87 HG23 ILE 13 3HG2 ILE 13 -5.038 -0.380 -6.933 88 HD11 ILE 13 3HD1 ILE 13 -1.874 -1.878 -3.473 89 HD12 ILE 13 1HD1 ILE 13 -3.483 -2.031 -2.728 90 HD13 ILE 13 2HD1 ILE 13 -2.535 -3.489 -3.108 91 H CYS 14 H CYS 14 -0.085 -0.620 -4.920 92 HA CYS 14 HA CYS 14 -0.497 0.086 -2.206 93 HB2 CYS 14 HB2 CYS 14 1.427 -1.303 -2.899 94 HB3 CYS 14 HB3 CYS 14 2.165 0.155 -3.605 95 H ALA 15 H ALA 15 0.095 1.889 -1.066 96 HA ALA 15 HA ALA 15 -0.797 4.319 -2.121 97 HB1 ALA 15 HB1 ALA 15 0.859 3.768 0.370 98 HB2 ALA 15 HB2 ALA 15 -0.016 5.275 0.005 99 HB3 ALA 15 HB3 ALA 15 -0.918 3.765 0.276 100 H HIS 16 H HIS 16 2.555 3.114 -1.507 101 HA HIS 16 HA HIS 16 3.826 5.550 -2.084 102 HB2 HIS 16 HB2 HIS 16 4.821 2.708 -2.251 103 HB3 HIS 16 HB3 HIS 16 5.830 4.151 -2.509 104 HD2 HIS 16 HD2 HIS 16 7.042 5.102 -0.328 105 HE1 HIS 16 HE1 HIS 16 4.574 3.231 2.559 106 H SER 17 H SER 17 2.881 2.814 -4.303 107 HA SER 17 HA SER 17 2.437 4.236 -6.550 108 HB2 SER 17 HB2 SER 17 4.432 3.944 -7.988 109 HB3 SER 17 HB3 SER 17 4.678 5.161 -6.712 110 HG SER 17 HG SER 17 6.440 3.718 -6.919 111 H MET 18 H MET 18 4.498 1.421 -5.584 112 HA MET 18 HA MET 18 3.594 -0.139 -7.820 113 HB2 MET 18 HB2 MET 18 5.320 -0.983 -5.500 114 HB3 MET 18 HB3 MET 18 5.119 -1.793 -7.073 115 HG2 MET 18 HG2 MET 18 6.067 0.241 -8.172 116 HG3 MET 18 HG3 MET 18 6.391 0.909 -6.554 117 HE1 MET 18 HE1 MET 18 8.891 1.260 -7.274 118 HE2 MET 18 HE2 MET 18 9.931 -0.032 -7.918 119 HE3 MET 18 HE3 MET 18 8.544 0.550 -8.867 120 H THR 19 H THR 19 3.410 -2.639 -7.215 121 HA THR 19 HA THR 19 0.653 -2.876 -6.456 122 HB THR 19 HB THR 19 2.751 -4.949 -7.222 123 HG1 THR 19 HG1 THR 19 2.296 -3.359 -8.827 124 HG21 THR 19 1HG2 THR 19 -0.284 -5.107 -7.218 125 HG22 THR 19 2HG2 THR 19 0.832 -6.362 -7.806 126 HG23 THR 19 3HG2 THR 19 0.801 -5.936 -6.078 127 H PHE 20 H PHE 20 0.011 -4.637 -4.861 128 HA PHE 20 HA PHE 20 0.924 -4.173 -2.280 129 HB2 PHE 20 HB2 PHE 20 -1.357 -4.974 -2.940 130 HB3 PHE 20 HB3 PHE 20 -0.651 -6.482 -3.571 131 HD1 PHE 20 HD2 PHE 20 -1.354 -4.518 -0.504 132 HD2 PHE 20 HD1 PHE 20 -0.061 -8.282 -2.127 133 HE1 PHE 20 HE2 PHE 20 -1.576 -5.561 1.735 134 HE2 PHE 20 HE1 PHE 20 -0.281 -9.325 0.112 135 HZ PHE 20 HZ PHE 20 -1.040 -7.964 2.045 136 H GLU 21 H GLU 21 1.574 -6.758 -4.709 137 HA GLU 21 HA GLU 21 3.187 -8.442 -3.146 138 HB2 GLU 21 HB2 GLU 21 1.984 -9.031 -5.278 139 HB3 GLU 21 HB3 GLU 21 3.120 -7.987 -6.165 140 HG2 GLU 21 HG2 GLU 21 4.995 -9.379 -5.505 141 HG3 GLU 21 HG3 GLU 21 3.948 -10.359 -4.452 142 H GLU 22 H GLU 22 3.842 -5.573 -5.185 143 HA GLU 22 HA GLU 22 6.720 -5.770 -4.893 144 HB2 GLU 22 HB2 GLU 22 4.945 -3.827 -6.423 145 HB3 GLU 22 HB3 GLU 22 6.724 -3.862 -6.452 146 HG2 GLU 22 HG2 GLU 22 4.932 -6.160 -7.315 147 HG3 GLU 22 HG3 GLU 22 5.691 -4.987 -8.417 148 H CYS 23 H CYS 23 4.458 -4.841 -2.743 149 HA CYS 23 HA CYS 23 4.960 -2.224 -2.080 150 HB2 CYS 23 HB2 CYS 23 3.131 -3.564 -1.108 151 HB3 CYS 23 HB3 CYS 23 4.331 -4.441 -0.128 152 HG CYS 23 HG CYS 23 3.118 -2.657 1.338 153 HA PRO 24 HA PRO 24 8.538 -3.439 0.812 154 HB2 PRO 24 HB2 PRO 24 10.293 -5.364 0.039 155 HB3 PRO 24 HB3 PRO 24 8.968 -5.640 1.196 156 HG2 PRO 24 HG2 PRO 24 9.054 -6.235 -1.796 157 HG3 PRO 24 HG3 PRO 24 8.414 -7.258 -0.487 158 HD2 PRO 24 HD2 PRO 24 6.751 -5.730 -2.026 159 HD3 PRO 24 HD3 PRO 24 6.424 -6.010 -0.299 160 H LYS 25 H LYS 25 8.791 -3.776 -2.756 161 HA LYS 25 HA LYS 25 11.282 -2.415 -2.973 162 HB2 LYS 25 HB2 LYS 25 9.154 -2.761 -5.078 163 HB3 LYS 25 HB3 LYS 25 10.816 -2.171 -5.315 164 HG2 LYS 25 HG2 LYS 25 11.649 -4.351 -4.352 165 HG3 LYS 25 HG3 LYS 25 9.966 -4.929 -4.343 166 HD2 LYS 25 HD2 LYS 25 11.058 -5.711 -6.375 167 HD3 LYS 25 HD3 LYS 25 9.854 -4.475 -6.811 168 HE2 LYS 25 HE2 LYS 25 11.950 -4.134 -8.049 169 HE3 LYS 25 HE3 LYS 25 11.651 -2.778 -6.935 170 HZ1 LYS 25 HZ1 LYS 25 13.445 -5.038 -6.435 171 HZ2 LYS 25 HZ2 LYS 25 13.904 -3.513 -6.865 172 HZ3 LYS 25 HZ3 LYS 25 13.172 -3.775 -5.410 173 H CYS 26 H CYS 26 7.981 -1.294 -2.416 174 HA CYS 26 HA CYS 26 8.125 1.247 -3.564 175 HB2 CYS 26 HB2 CYS 26 6.553 0.159 -1.213 176 HB3 CYS 26 HB3 CYS 26 6.359 1.798 -1.879 177 HG CYS 26 HG CYS 26 4.399 0.297 -2.623 178 H SER 27 H SER 27 9.294 -0.108 -0.460 179 HA SER 27 HA SER 27 9.761 2.280 0.935 180 HB2 SER 27 HB2 SER 27 11.217 -0.380 1.111 181 HB3 SER 27 HB3 SER 27 11.284 0.941 2.301 182 HG SER 27 HG SER 27 9.746 -0.667 2.848 183 H ALA 28 H ALA 28 11.693 0.426 -1.482 184 HA ALA 28 HA ALA 28 14.106 1.893 -1.123 185 HB1 ALA 28 HB1 ALA 28 13.110 0.377 -3.560 186 HB2 ALA 28 HB2 ALA 28 14.761 0.987 -3.299 187 HB3 ALA 28 HB3 ALA 28 14.110 -0.297 -2.252 188 H LEU 29 H LEU 29 14.731 3.801 -2.167 189 HA LEU 29 HA LEU 29 12.593 5.316 -3.438 190 HB2 LEU 29 HB2 LEU 29 15.071 5.948 -1.913 191 HB3 LEU 29 HB3 LEU 29 14.625 7.061 -3.228 192 HG LEU 29 HG LEU 29 12.317 7.202 -2.227 193 HD11 LEU 29 1HD1 LEU 29 13.605 5.731 0.091 194 HD12 LEU 29 2HD1 LEU 29 11.999 6.498 0.094 195 HD13 LEU 29 3HD1 LEU 29 12.318 5.104 -0.965 196 HD21 LEU 29 3HD2 LEU 29 14.649 7.992 -0.435 197 HD22 LEU 29 1HD2 LEU 29 14.033 8.925 -1.820 198 HD23 LEU 29 2HD2 LEU 29 13.013 8.690 -0.380 199 H GLN 30 H GLN 30 14.542 3.154 -4.797 200 HA GLN 30 HA GLN 30 16.101 4.517 -6.662 201 HB2 GLN 30 HB2 GLN 30 14.727 1.815 -6.894 202 HB3 GLN 30 HB3 GLN 30 16.028 2.423 -7.943 203 HG2 GLN 30 HG2 GLN 30 17.505 2.640 -5.952 204 HG3 GLN 30 HG3 GLN 30 16.219 1.956 -4.938 205 HE21 GLN 30 2HE2 GLN 30 19.052 1.046 -5.865 206 HE22 GLN 30 1HE2 GLN 30 18.793 -0.603 -6.390 207 H TYR 31 H TYR 31 12.667 3.478 -6.771 208 HA TYR 31 HA TYR 31 12.165 4.090 -9.454 209 HB2 TYR 31 HB2 TYR 31 10.722 2.641 -8.067 210 HB3 TYR 31 HB3 TYR 31 10.308 4.018 -7.040 211 HD1 TYR 31 HD1 TYR 31 10.159 2.825 -10.586 212 HD2 TYR 31 HD2 TYR 31 8.464 5.369 -7.565 213 HE1 TYR 31 HE1 TYR 31 8.284 3.375 -12.113 214 HE2 TYR 31 HE2 TYR 31 6.578 5.925 -9.082 215 HH TYR 31 HH TYR 31 6.332 4.550 -12.387 216 H ARG 32 H ARG 32 12.055 6.064 -6.427 217 HA ARG 32 HA ARG 32 10.746 8.304 -7.501 218 HB2 ARG 32 HB2 ARG 32 12.669 8.226 -5.167 219 HB3 ARG 32 HB3 ARG 32 11.564 9.543 -5.624 220 HG2 ARG 32 HG2 ARG 32 9.676 7.790 -5.502 221 HG3 ARG 32 HG3 ARG 32 10.853 6.749 -4.679 222 HD2 ARG 32 HD2 ARG 32 11.186 8.604 -2.993 223 HD3 ARG 32 HD3 ARG 32 9.894 9.505 -3.802 224 HE ARG 32 HE ARG 32 8.830 6.981 -3.266 225 HH11 ARG 32 2HH1 ARG 32 10.160 9.678 -1.399 226 HH12 ARG 32 1HH1 ARG 32 9.195 9.339 0.020 227 HH21 ARG 32 2HH2 ARG 32 7.572 6.540 -1.402 228 HH22 ARG 32 1HH2 ARG 32 7.722 7.552 0.018 229 H ASN 33 H ASN 33 14.212 7.453 -7.292 230 HA ASN 33 HA ASN 33 15.163 9.927 -8.268 231 HB2 ASN 33 HB2 ASN 33 16.422 7.163 -8.474 232 HB3 ASN 33 HB3 ASN 33 17.239 8.706 -8.799 233 HD21 ASN 33 1HD2 ASN 33 16.850 6.349 -6.491 234 HD22 ASN 33 2HD2 ASN 33 17.155 7.288 -5.047 235 H GLY 34 H GLY 34 15.817 10.531 -10.383 236 HA2 GLY 34 HA2 GLY 34 16.103 10.207 -12.646 237 HA3 GLY 34 HA3 GLY 34 15.118 8.744 -12.577 238 H PHE 35 H PHE 35 13.209 10.848 -10.813 239 HA PHE 35 HA PHE 35 11.583 11.470 -13.129 240 HB2 PHE 35 HB2 PHE 35 11.112 11.734 -10.188 241 HB3 PHE 35 HB3 PHE 35 10.145 12.629 -11.364 242 HD1 PHE 35 HD1 PHE 35 10.978 9.216 -10.151 243 HD2 PHE 35 HD2 PHE 35 8.597 11.566 -12.849 244 HE1 PHE 35 HE1 PHE 35 9.502 7.267 -10.547 245 HE2 PHE 35 HE2 PHE 35 7.136 9.607 -13.259 246 HZ PHE 35 HZ PHE 35 7.588 7.457 -12.102 247 H TYR 36 H TYR 36 10.907 13.528 -13.761 248 HA TYR 36 HA TYR 36 12.954 15.411 -13.982 249 HB2 TYR 36 HB2 TYR 36 11.173 15.136 -15.643 250 HB3 TYR 36 HB3 TYR 36 9.943 15.561 -14.448 251 HD1 TYR 36 HD1 TYR 36 12.728 16.887 -16.509 252 HD2 TYR 36 HD2 TYR 36 9.473 17.835 -13.866 253 HE1 TYR 36 HE1 TYR 36 12.913 19.277 -17.148 254 HE2 TYR 36 HE2 TYR 36 9.651 20.226 -14.490 255 HH TYR 36 HH TYR 36 12.083 21.398 -16.856 256 H LEU 37 H LEU 37 9.957 15.625 -11.829 257 HA LEU 37 HA LEU 37 11.620 17.462 -10.264 258 HB2 LEU 37 HB2 LEU 37 10.451 18.993 -11.724 259 HB3 LEU 37 HB3 LEU 37 8.902 18.238 -11.324 260 HG LEU 37 HG LEU 37 9.156 18.932 -8.969 261 HD11 LEU 37 1HD1 LEU 37 11.665 20.348 -9.983 262 HD12 LEU 37 2HD1 LEU 37 10.920 20.591 -8.386 263 HD13 LEU 37 3HD1 LEU 37 11.623 19.016 -8.805 264 HD21 LEU 37 3HD2 LEU 37 9.554 21.203 -10.961 265 HD22 LEU 37 1HD2 LEU 37 8.039 20.308 -10.723 266 HD23 LEU 37 2HD2 LEU 37 8.707 21.295 -9.396 267 H LEU 38 H LEU 38 11.474 17.040 -8.202 268 HA LEU 38 HA LEU 38 10.039 14.847 -7.214 269 HB2 LEU 38 HB2 LEU 38 11.365 17.149 -5.747 270 HB3 LEU 38 HB3 LEU 38 10.718 15.691 -4.980 271 HG LEU 38 HG LEU 38 12.967 15.735 -7.035 272 HD11 LEU 38 1HD1 LEU 38 12.969 15.287 -4.016 273 HD12 LEU 38 2HD1 LEU 38 14.383 15.162 -5.087 274 HD13 LEU 38 3HD1 LEU 38 13.582 16.732 -4.852 275 HD21 LEU 38 3HD2 LEU 38 11.771 13.488 -5.345 276 HD22 LEU 38 1HD2 LEU 38 11.738 13.615 -7.121 277 HD23 LEU 38 2HD2 LEU 38 13.277 13.361 -6.281 278 H LYS 39 H LYS 39 9.464 18.371 -7.096 279 HA LYS 39 HA LYS 39 7.351 18.395 -5.268 280 HB2 LYS 39 HB2 LYS 39 8.072 20.345 -7.478 281 HB3 LYS 39 HB3 LYS 39 6.883 20.631 -6.192 282 HG2 LYS 39 HG2 LYS 39 8.649 20.328 -4.482 283 HG3 LYS 39 HG3 LYS 39 9.852 20.081 -5.773 284 HD2 LYS 39 HD2 LYS 39 9.372 22.330 -6.667 285 HD3 LYS 39 HD3 LYS 39 8.127 22.575 -5.419 286 HE2 LYS 39 HE2 LYS 39 9.838 22.336 -3.656 287 HE3 LYS 39 HE3 LYS 39 11.087 22.081 -4.894 288 HZ1 LYS 39 HZ1 LYS 39 10.611 24.265 -5.729 289 HZ2 LYS 39 HZ2 LYS 39 11.035 24.338 -4.137 290 HZ3 LYS 39 HZ3 LYS 39 9.454 24.501 -4.579 291 H TYR 40 H TYR 40 7.294 17.420 -8.680 292 HA TYR 40 HA TYR 40 4.671 18.240 -9.277 293 HB2 TYR 40 HB2 TYR 40 6.278 17.521 -10.999 294 HB3 TYR 40 HB3 TYR 40 6.261 15.878 -10.341 295 HD1 TYR 40 HD1 TYR 40 4.160 18.488 -11.965 296 HD2 TYR 40 HD2 TYR 40 4.526 14.345 -10.887 297 HE1 TYR 40 HE1 TYR 40 2.192 17.958 -13.376 298 HE2 TYR 40 HE2 TYR 40 2.560 13.795 -12.299 299 HH TYR 40 HH TYR 40 0.792 16.316 -14.150 300 H ASP 41 H ASP 41 2.718 17.491 -8.702 301 HA ASP 41 HA ASP 41 2.637 15.382 -6.720 302 HB2 ASP 41 HB2 ASP 41 0.439 17.196 -7.720 303 HB3 ASP 41 HB3 ASP 41 0.289 15.969 -6.443 304 H GLU 42 H GLU 42 2.229 13.483 -6.935 305 HA GLU 42 HA GLU 42 0.296 12.428 -8.771 306 HB2 GLU 42 HB2 GLU 42 1.641 10.917 -9.947 307 HB3 GLU 42 HB3 GLU 42 2.317 12.531 -10.193 308 HG2 GLU 42 HG2 GLU 42 3.997 11.982 -8.363 309 HG3 GLU 42 HG3 GLU 42 3.321 10.325 -8.435 310 H GLU 43 H GLU 43 0.717 9.722 -8.295 311 HA GLU 43 HA GLU 43 -0.181 9.408 -5.649 312 HB2 GLU 43 HB2 GLU 43 0.973 7.311 -7.505 313 HB3 GLU 43 HB3 GLU 43 0.050 7.020 -6.015 314 HG2 GLU 43 HG2 GLU 43 -1.883 8.245 -7.005 315 HG3 GLU 43 HG3 GLU 43 -0.968 8.432 -8.514 316 H TRP 44 H TRP 44 2.953 9.009 -7.149 317 HA TRP 44 HA TRP 44 4.531 7.804 -5.247 318 HB2 TRP 44 HB2 TRP 44 4.847 8.306 -7.718 319 HB3 TRP 44 HB3 TRP 44 4.800 10.021 -7.328 320 HD1 TRP 44 HD1 TRP 44 7.199 7.141 -7.400 321 HE1 TRP 44 HE1 TRP 44 9.446 8.168 -7.933 322 HE3 TRP 44 HE3 TRP 44 5.988 12.049 -6.732 323 HZ2 TRP 44 HZ2 TRP 44 10.576 10.856 -8.185 324 HZ3 TRP 44 HZ3 TRP 44 7.607 13.816 -7.305 325 HH2 TRP 44 HH2 TRP 44 9.905 13.209 -8.065 326 H TYR 45 H TYR 45 5.632 8.753 -3.339 327 HA TYR 45 HA TYR 45 4.529 11.248 -2.417 328 HB2 TYR 45 HB2 TYR 45 6.617 9.431 -1.193 329 HB3 TYR 45 HB3 TYR 45 6.033 10.933 -0.467 330 HD1 TYR 45 HD2 TYR 45 3.652 11.182 0.184 331 HD2 TYR 45 HD1 TYR 45 5.276 7.415 -1.106 332 HE1 TYR 45 HE2 TYR 45 1.697 10.013 1.165 333 HE2 TYR 45 HE1 TYR 45 3.329 6.234 -0.121 334 HH TYR 45 HH TYR 45 1.348 6.443 1.011 335 HA PRO 46 HA PRO 46 7.641 13.790 -4.228 336 HB2 PRO 46 HB2 PRO 46 6.864 16.169 -3.099 337 HB3 PRO 46 HB3 PRO 46 6.000 15.392 -4.469 338 HG2 PRO 46 HG2 PRO 46 5.341 15.233 -1.520 339 HG3 PRO 46 HG3 PRO 46 4.228 15.577 -2.888 340 HD2 PRO 46 HD2 PRO 46 4.456 13.094 -1.812 341 HD3 PRO 46 HD3 PRO 46 4.249 13.311 -3.579 342 H GLU 47 H GLU 47 7.023 13.701 -0.694 343 HA GLU 47 HA GLU 47 9.558 14.904 -0.098 344 HB2 GLU 47 HB2 GLU 47 7.636 15.056 1.504 345 HB3 GLU 47 HB3 GLU 47 7.706 13.297 1.716 346 HG2 GLU 47 HG2 GLU 47 10.043 13.482 2.514 347 HG3 GLU 47 HG3 GLU 47 9.996 15.236 2.260 348 H GLU 48 H GLU 48 11.475 13.744 -0.018 349 HA GLU 48 HA GLU 48 11.259 10.836 -0.324 350 HB2 GLU 48 HB2 GLU 48 13.475 12.761 -0.943 351 HB3 GLU 48 HB3 GLU 48 13.697 10.996 -0.904 352 HG2 GLU 48 HG2 GLU 48 11.905 10.788 -2.626 353 HG3 GLU 48 HG3 GLU 48 11.773 12.560 -2.678 354 H LEU 49 H LEU 49 11.869 9.499 1.174 355 HA LEU 49 HA LEU 49 12.271 10.278 3.826 356 HB2 LEU 49 HB2 LEU 49 12.943 7.627 2.486 357 HB3 LEU 49 HB3 LEU 49 12.678 7.898 4.217 358 HG LEU 49 HG LEU 49 10.600 8.288 2.014 359 HD11 LEU 49 1HD1 LEU 49 10.891 6.141 4.155 360 HD12 LEU 49 2HD1 LEU 49 9.546 6.288 2.999 361 HD13 LEU 49 3HD1 LEU 49 11.185 5.924 2.414 362 HD21 LEU 49 3HD2 LEU 49 10.380 8.457 5.053 363 HD22 LEU 49 1HD2 LEU 49 10.208 9.810 3.909 364 HD23 LEU 49 2HD2 LEU 49 9.011 8.502 3.918 365 H LEU 50 H LEU 50 14.620 9.040 1.366 366 HA LEU 50 HA LEU 50 16.822 8.949 3.116 367 HB2 LEU 50 HB2 LEU 50 16.726 9.205 0.103 368 HB3 LEU 50 HB3 LEU 50 18.198 8.931 1.055 369 HG LEU 50 HG LEU 50 15.772 7.083 1.090 370 HD11 LEU 50 1HD1 LEU 50 18.448 6.817 -0.345 371 HD12 LEU 50 2HD1 LEU 50 17.155 5.593 -0.304 372 HD13 LEU 50 3HD1 LEU 50 16.884 7.147 -1.126 373 HD21 LEU 50 3HD2 LEU 50 18.606 6.788 2.172 374 HD22 LEU 50 1HD2 LEU 50 17.119 6.936 3.140 375 HD23 LEU 50 2HD2 LEU 50 17.383 5.498 2.135 376 H THR 51 H THR 51 15.665 11.591 0.914 377 HA THR 51 HA THR 51 17.974 13.175 1.677 378 HB THR 51 HB THR 51 16.987 14.833 0.169 379 HG1 THR 51 HG1 THR 51 14.834 14.147 0.390 380 HG21 THR 51 1HG2 THR 51 17.272 12.033 -1.003 381 HG22 THR 51 2HG2 THR 51 17.463 13.566 -1.883 382 HG23 THR 51 3HG2 THR 51 18.626 13.116 -0.614 383 H ASP 52 H ASP 52 17.622 13.276 3.955 384 HA ASP 52 HA ASP 52 15.205 14.692 4.779 385 HB2 ASP 52 HB2 ASP 52 15.879 12.800 6.179 386 HB3 ASP 52 HB3 ASP 52 17.492 13.506 6.404 387 H GLY 53 H GLY 53 15.278 16.770 4.363 388 HA2 GLY 53 HA2 GLY 53 15.794 18.908 4.825 389 HA3 GLY 53 HA3 GLY 53 17.355 18.407 5.487 390 H GLU 54 H GLU 54 17.579 16.769 2.677 391 HA GLU 54 HA GLU 54 19.132 18.802 1.415 392 HB2 GLU 54 HB2 GLU 54 18.316 16.093 0.381 393 HB3 GLU 54 HB3 GLU 54 19.510 17.184 -0.339 394 HG2 GLU 54 HG2 GLU 54 20.856 17.082 1.731 395 HG3 GLU 54 HG3 GLU 54 19.656 16.005 2.469 396 H ASP 55 H ASP 55 15.903 17.380 0.885 397 HA ASP 55 HA ASP 55 15.309 18.538 -1.577 398 HB2 ASP 55 HB2 ASP 55 13.506 17.749 0.760 399 HB3 ASP 55 HB3 ASP 55 12.911 18.264 -0.827 400 H ASP 56 H ASP 56 14.729 19.654 1.811 401 HA ASP 56 HA ASP 56 13.975 21.554 2.707 402 HB2 ASP 56 HB2 ASP 56 15.421 22.902 0.431 403 HB3 ASP 56 HB3 ASP 56 14.737 23.702 1.859 404 H VAL 57 H VAL 57 11.990 20.182 1.220 405 HA VAL 57 HA VAL 57 10.551 22.414 -0.058 406 HB VAL 57 HB VAL 57 10.000 19.425 -0.120 407 HG11 VAL 57 1HG1 VAL 57 8.628 21.776 -1.501 408 HG12 VAL 57 2HG1 VAL 57 8.287 20.056 -1.807 409 HG13 VAL 57 3HG1 VAL 57 7.924 20.761 -0.217 410 HG21 VAL 57 3HG2 VAL 57 11.000 21.367 -2.246 411 HG22 VAL 57 1HG2 VAL 57 11.967 20.103 -1.459 412 HG23 VAL 57 2HG2 VAL 57 10.607 19.653 -2.511 413 H PHE 58 H PHE 58 10.274 19.586 2.200 414 HA PHE 58 HA PHE 58 7.804 20.407 3.325 415 HB2 PHE 58 HB2 PHE 58 9.645 18.159 3.847 416 HB3 PHE 58 HB3 PHE 58 8.371 18.611 5.005 417 HD1 PHE 58 HD1 PHE 58 8.900 17.944 1.345 418 HD2 PHE 58 HD2 PHE 58 6.124 18.060 4.628 419 HE1 PHE 58 HE1 PHE 58 7.103 17.102 -0.141 420 HE2 PHE 58 HE2 PHE 58 4.334 17.198 3.144 421 HZ PHE 58 HZ PHE 58 4.821 16.728 0.756 422 H ASP 59 H ASP 59 11.114 21.101 4.475 423 HA ASP 59 HA ASP 59 10.194 21.967 7.001 424 HB2 ASP 59 HB2 ASP 59 12.649 22.927 5.517 425 HB3 ASP 59 HB3 ASP 59 12.298 23.106 7.248 426 HA PRO 60 HA PRO 60 9.599 26.308 5.390 427 HB2 PRO 60 HB2 PRO 60 9.517 27.036 2.766 428 HB3 PRO 60 HB3 PRO 60 11.056 26.900 3.686 429 HG2 PRO 60 HG2 PRO 60 9.763 24.808 1.904 430 HG3 PRO 60 HG3 PRO 60 11.462 25.387 1.861 431 HD2 PRO 60 HD2 PRO 60 10.771 23.101 3.177 432 HD3 PRO 60 HD3 PRO 60 11.999 24.213 3.851 433 H ASP 61 H ASP 61 8.054 23.596 3.801 434 HA ASP 61 HA ASP 61 5.964 23.093 3.259 435 HB2 ASP 61 HB2 ASP 61 5.722 23.320 5.705 436 HB3 ASP 61 HB3 ASP 61 5.193 24.998 5.475 437 H LEU 62 H LEU 62 7.072 24.782 1.434 438 HA LEU 62 HA LEU 62 4.909 26.683 0.828 439 HB2 LEU 62 HB2 LEU 62 7.695 26.496 -0.388 440 HB3 LEU 62 HB3 LEU 62 6.427 27.648 -0.857 441 HG LEU 62 HG LEU 62 7.662 27.436 1.921 442 HD11 LEU 62 1HD1 LEU 62 8.085 29.475 -0.305 443 HD12 LEU 62 2HD1 LEU 62 8.786 29.557 1.330 444 HD13 LEU 62 3HD1 LEU 62 9.263 28.250 0.224 445 HD21 LEU 62 3HD2 LEU 62 5.748 29.466 0.699 446 HD22 LEU 62 1HD2 LEU 62 5.374 28.312 2.004 447 HD23 LEU 62 2HD2 LEU 62 6.534 29.625 2.287 448 H ASP 63 H ASP 63 3.561 26.089 -0.833 449 HA ASP 63 HA ASP 63 4.450 23.865 -2.548 450 HB2 ASP 63 HB2 ASP 63 2.422 23.245 -1.296 451 HB3 ASP 63 HB3 ASP 63 1.621 24.748 -1.798 452 H MET 64 H MET 64 4.960 24.714 -4.596 453 HA MET 64 HA MET 64 3.652 27.252 -5.336 454 HB2 MET 64 HB2 MET 64 6.404 26.288 -6.162 455 HB3 MET 64 HB3 MET 64 5.571 27.723 -6.797 456 HG2 MET 64 HG2 MET 64 5.519 28.731 -4.587 457 HG3 MET 64 HG3 MET 64 6.190 27.270 -3.853 458 HE1 MET 64 HE1 MET 64 8.476 26.313 -5.660 459 HE2 MET 64 HE2 MET 64 9.863 27.191 -4.979 460 HE3 MET 64 HE3 MET 64 8.617 26.521 -3.900 461 H GLU 65 H GLU 65 2.103 26.729 -6.692 462 HA GLU 65 HA GLU 65 1.826 24.306 -8.061 463 HB2 GLU 65 HB2 GLU 65 0.460 26.985 -8.488 464 HB3 GLU 65 HB3 GLU 65 -0.035 25.435 -9.206 465 HG2 GLU 65 HG2 GLU 65 -0.275 24.479 -6.913 466 HG3 GLU 65 HG3 GLU 65 0.102 26.074 -6.231 467 H VAL 66 H VAL 66 2.985 27.511 -9.131 468 HA VAL 66 HA VAL 66 3.090 26.993 -11.871 469 HB VAL 66 HB VAL 66 4.764 28.858 -10.161 470 HG11 VAL 66 1HG1 VAL 66 4.167 28.809 -13.151 471 HG12 VAL 66 2HG1 VAL 66 5.020 30.113 -12.294 472 HG13 VAL 66 3HG1 VAL 66 5.746 28.496 -12.392 473 HG21 VAL 66 3HG2 VAL 66 2.153 29.273 -11.683 474 HG22 VAL 66 1HG2 VAL 66 2.338 29.248 -9.914 475 HG23 VAL 66 2HG2 VAL 66 3.086 30.548 -10.866 476 H VAL 67 H VAL 67 5.574 26.515 -9.260 477 HA VAL 67 HA VAL 67 7.662 25.783 -11.008 478 HB VAL 67 HB VAL 67 7.202 25.082 -8.109 479 HG11 VAL 67 1HG1 VAL 67 9.696 24.927 -9.853 480 HG12 VAL 67 2HG1 VAL 67 9.655 24.696 -8.089 481 HG13 VAL 67 3HG1 VAL 67 8.817 23.547 -9.150 482 HG21 VAL 67 3HG2 VAL 67 8.798 27.285 -9.484 483 HG22 VAL 67 1HG2 VAL 67 7.308 27.505 -8.535 484 HG23 VAL 67 2HG2 VAL 67 8.796 26.953 -7.737 485 H PHE 68 H PHE 68 5.257 23.675 -9.196 486 HA PHE 68 HA PHE 68 6.454 21.360 -10.415 487 HB2 PHE 68 HB2 PHE 68 5.163 19.995 -9.364 488 HB3 PHE 68 HB3 PHE 68 5.416 21.267 -8.196 489 HD1 PHE 68 HD1 PHE 68 2.952 19.582 -10.356 490 HD2 PHE 68 HD2 PHE 68 3.577 22.551 -7.311 491 HE1 PHE 68 HE1 PHE 68 0.527 19.569 -9.843 492 HE2 PHE 68 HE2 PHE 68 1.152 22.541 -6.801 493 HZ PHE 68 HZ PHE 68 -0.375 21.050 -8.067 494 H GLU 69 H GLU 69 3.649 23.328 -11.392 495 HA GLU 69 HA GLU 69 3.037 21.365 -13.418 496 HB2 GLU 69 HB2 GLU 69 1.845 24.097 -12.935 497 HB3 GLU 69 HB3 GLU 69 1.291 22.896 -14.120 498 HG2 GLU 69 HG2 GLU 69 0.848 21.292 -12.287 499 HG3 GLU 69 HG3 GLU 69 1.375 22.505 -11.102 500 H THR 70 H THR 70 5.167 21.340 -14.336 501 HA THR 70 HA THR 70 6.100 23.477 -15.954 502 HB THR 70 HB THR 70 6.600 20.489 -16.074 503 HG1 THR 70 HG1 THR 70 7.144 21.510 -14.095 504 HG21 THR 70 1HG2 THR 70 8.149 22.861 -17.206 505 HG22 THR 70 2HG2 THR 70 8.684 21.163 -17.236 506 HG23 THR 70 3HG2 THR 70 7.244 21.658 -18.155 507 H GLN 71 H GLN 71 3.998 20.586 -16.299 508 HA GLN 71 HA GLN 71 3.477 20.914 -19.100 509 HB2 GLN 71 HB2 GLN 71 1.724 19.178 -18.729 510 HB3 GLN 71 HB3 GLN 71 3.351 18.669 -18.240 511 HG2 GLN 71 HG2 GLN 71 2.801 19.210 -15.873 512 HG3 GLN 71 HG3 GLN 71 1.154 19.649 -16.371 513 HE21 GLN 71 1HE2 GLN 71 -0.271 18.087 -15.872 514 HE22 GLN 71 2HE2 GLN 71 0.015 16.366 -15.997 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -13.029 -10.882 -15.287 2 H2 GLY 1 H2 GLY 1 -12.876 -9.807 -13.984 3 H3 GLY 1 H3 GLY 1 -11.720 -9.813 -15.224 4 HA2 GLY 1 HA3 GLY 1 -11.102 -10.937 -13.057 5 HA3 GLY 1 HA2 GLY 1 -12.225 -12.210 -13.593 6 H SER 2 H SER 2 -9.201 -11.976 -13.215 7 HA SER 2 HA SER 2 -8.464 -13.044 -15.852 8 HB2 SER 2 HB2 SER 2 -6.213 -12.140 -15.583 9 HB3 SER 2 HB3 SER 2 -7.407 -10.821 -15.612 10 HG SER 2 HG SER 2 -5.875 -10.600 -13.918 11 H THR 3 H THR 3 -6.878 -14.738 -15.760 12 HA THR 3 HA THR 3 -7.084 -16.276 -13.313 13 HB THR 3 HB THR 3 -5.691 -16.944 -15.896 14 HG1 THR 3 HG1 THR 3 -7.581 -18.218 -16.157 15 HG21 THR 3 1HG2 THR 3 -6.503 -18.621 -13.485 16 HG22 THR 3 2HG2 THR 3 -5.778 -19.239 -14.988 17 HG23 THR 3 3HG2 THR 3 -4.839 -18.167 -13.922 18 H ALA 4 H ALA 4 -6.020 -14.810 -11.964 19 HA ALA 4 HA ALA 4 -3.125 -14.541 -12.367 20 HB1 ALA 4 HB1 ALA 4 -4.992 -12.941 -10.556 21 HB2 ALA 4 HB2 ALA 4 -3.232 -12.725 -10.705 22 HB3 ALA 4 HB3 ALA 4 -4.293 -12.359 -12.086 23 H MET 5 H MET 5 -1.864 -15.388 -10.633 24 HA MET 5 HA MET 5 -3.004 -17.484 -9.136 25 HB2 MET 5 HB2 MET 5 -0.890 -17.792 -8.134 26 HB3 MET 5 HB3 MET 5 -0.565 -17.301 -9.814 27 HG2 MET 5 HG2 MET 5 -0.464 -15.474 -7.385 28 HG3 MET 5 HG3 MET 5 0.941 -16.174 -8.224 29 HE1 MET 5 HE1 MET 5 2.031 -13.832 -8.264 30 HE2 MET 5 HE2 MET 5 1.241 -12.378 -8.919 31 HE3 MET 5 HE3 MET 5 0.607 -13.147 -7.446 32 H ALA 6 H ALA 6 -3.921 -17.636 -7.320 33 HA ALA 6 HA ALA 6 -5.037 -17.167 -5.470 34 HB1 ALA 6 HB1 ALA 6 -2.662 -15.392 -4.866 35 HB2 ALA 6 HB2 ALA 6 -3.899 -15.928 -3.705 36 HB3 ALA 6 HB3 ALA 6 -2.824 -17.120 -4.472 37 H THR 7 H THR 7 -5.631 -15.524 -7.886 38 HA THR 7 HA THR 7 -6.821 -13.800 -8.567 39 HB THR 7 HB THR 7 -8.799 -13.265 -7.395 40 HG1 THR 7 HG1 THR 7 -7.920 -13.294 -5.281 41 HG21 THR 7 1HG2 THR 7 -8.079 -16.221 -7.266 42 HG22 THR 7 2HG2 THR 7 -9.727 -15.550 -7.293 43 HG23 THR 7 3HG2 THR 7 -8.663 -15.352 -8.706 44 H THR 8 H THR 8 -4.317 -12.968 -7.792 45 HA THR 8 HA THR 8 -4.480 -10.680 -6.089 46 HB THR 8 HB THR 8 -2.385 -11.487 -8.110 47 HG1 THR 8 HG1 THR 8 -2.758 -12.977 -6.397 48 HG21 THR 8 1HG2 THR 8 -2.303 -9.533 -5.781 49 HG22 THR 8 2HG2 THR 8 -0.923 -10.001 -6.802 50 HG23 THR 8 3HG2 THR 8 -2.287 -9.098 -7.506 51 H MET 9 H MET 9 -4.756 -8.515 -6.654 52 HA MET 9 HA MET 9 -6.143 -8.065 -9.139 53 HB2 MET 9 HB2 MET 9 -6.688 -6.921 -6.894 54 HB3 MET 9 HB3 MET 9 -5.265 -5.905 -7.222 55 HG2 MET 9 HG2 MET 9 -7.245 -4.795 -8.129 56 HG3 MET 9 HG3 MET 9 -6.240 -5.367 -9.481 57 HE1 MET 9 HE1 MET 9 -8.118 -5.119 -11.228 58 HE2 MET 9 HE2 MET 9 -9.777 -5.725 -11.009 59 HE3 MET 9 HE3 MET 9 -9.158 -4.425 -9.961 60 H GLU 10 H GLU 10 -5.274 -7.252 -10.939 61 HA GLU 10 HA GLU 10 -2.492 -7.276 -11.360 62 HB2 GLU 10 HB2 GLU 10 -4.681 -6.171 -13.126 63 HB3 GLU 10 HB3 GLU 10 -3.008 -6.547 -13.599 64 HG2 GLU 10 HG2 GLU 10 -3.388 -8.926 -12.976 65 HG3 GLU 10 HG3 GLU 10 -5.075 -8.533 -12.568 66 H GLN 11 H GLN 11 -4.661 -4.381 -10.919 67 HA GLN 11 HA GLN 11 -2.490 -2.703 -11.794 68 HB2 GLN 11 HB2 GLN 11 -3.639 -0.768 -10.958 69 HB3 GLN 11 HB3 GLN 11 -4.651 -1.734 -12.059 70 HG2 GLN 11 HG2 GLN 11 -4.894 -2.366 -9.161 71 HG3 GLN 11 HG3 GLN 11 -5.520 -0.783 -9.680 72 HE21 GLN 11 1HE2 GLN 11 -7.688 -1.077 -9.594 73 HE22 GLN 11 2HE2 GLN 11 -8.553 -2.302 -10.493 74 H GLU 12 H GLU 12 -1.421 -1.099 -10.689 75 HA GLU 12 HA GLU 12 -0.234 -2.102 -8.272 76 HB2 GLU 12 HB2 GLU 12 0.368 0.439 -9.818 77 HB3 GLU 12 HB3 GLU 12 1.373 -0.334 -8.568 78 HG2 GLU 12 HG2 GLU 12 1.537 -2.345 -10.083 79 HG3 GLU 12 HG3 GLU 12 0.749 -1.368 -11.345 80 H ILE 13 H ILE 13 -1.905 -2.047 -6.822 81 HA ILE 13 HA ILE 13 -3.240 0.436 -6.155 82 HB ILE 13 HB ILE 13 -4.500 -0.837 -4.568 83 HG12 ILE 13 2HG1 ILE 13 -4.416 -3.355 -4.742 84 HG13 ILE 13 3HG1 ILE 13 -2.815 -3.176 -5.499 85 HG21 ILE 13 1HG2 ILE 13 -4.278 -2.078 -7.349 86 HG22 ILE 13 2HG2 ILE 13 -5.690 -2.195 -6.274 87 HG23 ILE 13 3HG2 ILE 13 -5.206 -0.617 -6.939 88 HD11 ILE 13 3HD1 ILE 13 -1.993 -2.024 -3.486 89 HD12 ILE 13 1HD1 ILE 13 -3.594 -2.203 -2.730 90 HD13 ILE 13 2HD1 ILE 13 -2.620 -3.645 -3.105 91 H CYS 14 H CYS 14 -0.238 -0.742 -4.954 92 HA CYS 14 HA CYS 14 -0.648 -0.023 -2.243 93 HB2 CYS 14 HB2 CYS 14 1.299 -1.379 -2.936 94 HB3 CYS 14 HB3 CYS 14 2.004 0.088 -3.658 95 H ALA 15 H ALA 15 -0.085 1.800 -1.121 96 HA ALA 15 HA ALA 15 -1.031 4.204 -2.190 97 HB1 ALA 15 HB1 ALA 15 0.650 3.706 0.296 98 HB2 ALA 15 HB2 ALA 15 -0.257 5.192 -0.077 99 HB3 ALA 15 HB3 ALA 15 -1.127 3.667 0.212 100 H HIS 16 H HIS 16 2.347 3.070 -1.586 101 HA HIS 16 HA HIS 16 3.567 5.526 -2.190 102 HB2 HIS 16 HB2 HIS 16 4.616 2.703 -2.341 103 HB3 HIS 16 HB3 HIS 16 5.595 4.163 -2.616 104 HD2 HIS 16 HD2 HIS 16 6.801 5.156 -0.450 105 HE1 HIS 16 HE1 HIS 16 4.387 3.260 2.466 106 H SER 17 H SER 17 2.663 2.754 -4.381 107 HA SER 17 HA SER 17 2.178 4.149 -6.637 108 HB2 SER 17 HB2 SER 17 4.170 3.884 -8.085 109 HB3 SER 17 HB3 SER 17 4.400 5.116 -6.820 110 HG SER 17 HG SER 17 6.188 3.707 -7.026 111 H MET 18 H MET 18 4.300 1.383 -5.661 112 HA MET 18 HA MET 18 3.414 -0.213 -7.879 113 HB2 MET 18 HB2 MET 18 5.169 -1.004 -5.563 114 HB3 MET 18 HB3 MET 18 4.976 -1.831 -7.128 115 HG2 MET 18 HG2 MET 18 5.877 0.213 -8.249 116 HG3 MET 18 HG3 MET 18 6.197 0.901 -6.638 117 HE1 MET 18 HE1 MET 18 8.685 1.294 -7.376 118 HE2 MET 18 HE2 MET 18 9.747 0.018 -8.016 119 HE3 MET 18 HE3 MET 18 8.343 0.566 -8.962 120 H THR 19 H THR 19 3.283 -2.711 -7.253 121 HA THR 19 HA THR 19 0.535 -2.996 -6.476 122 HB THR 19 HB THR 19 2.670 -5.033 -7.238 123 HG1 THR 19 HG1 THR 19 2.174 -3.466 -8.853 124 HG21 THR 19 1HG2 THR 19 -0.362 -5.251 -7.215 125 HG22 THR 19 2HG2 THR 19 0.776 -6.488 -7.799 126 HG23 THR 19 3HG2 THR 19 0.746 -6.050 -6.074 127 H PHE 20 H PHE 20 -0.062 -4.757 -4.863 128 HA PHE 20 HA PHE 20 0.857 -4.254 -2.291 129 HB2 PHE 20 HB2 PHE 20 -1.412 -5.105 -2.932 130 HB3 PHE 20 HB3 PHE 20 -0.680 -6.603 -3.554 131 HD1 PHE 20 HD2 PHE 20 -1.404 -4.629 -0.499 132 HD2 PHE 20 HD1 PHE 20 -0.046 -8.380 -2.100 133 HE1 PHE 20 HE2 PHE 20 -1.592 -5.658 1.749 134 HE2 PHE 20 HE1 PHE 20 -0.233 -9.409 0.148 135 HZ PHE 20 HZ PHE 20 -1.007 -8.048 2.075 136 H GLU 21 H GLU 21 1.543 -6.845 -4.704 137 HA GLU 21 HA GLU 21 3.198 -8.484 -3.137 138 HB2 GLU 21 HB2 GLU 21 1.995 -9.114 -5.257 139 HB3 GLU 21 HB3 GLU 21 3.105 -8.055 -6.159 140 HG2 GLU 21 HG2 GLU 21 5.011 -9.404 -5.499 141 HG3 GLU 21 HG3 GLU 21 3.989 -10.396 -4.432 142 H GLU 22 H GLU 22 3.784 -5.619 -5.202 143 HA GLU 22 HA GLU 22 6.668 -5.757 -4.926 144 HB2 GLU 22 HB2 GLU 22 4.846 -3.862 -6.461 145 HB3 GLU 22 HB3 GLU 22 6.625 -3.862 -6.500 146 HG2 GLU 22 HG2 GLU 22 4.874 -6.202 -7.335 147 HG3 GLU 22 HG3 GLU 22 5.603 -5.023 -8.451 148 H CYS 23 H CYS 23 4.400 -4.855 -2.770 149 HA CYS 23 HA CYS 23 4.855 -2.224 -2.131 150 HB2 CYS 23 HB2 CYS 23 3.058 -3.592 -1.137 151 HB3 CYS 23 HB3 CYS 23 4.281 -4.437 -0.158 152 HG CYS 23 HG CYS 23 3.041 -2.666 1.301 153 HA PRO 24 HA PRO 24 8.472 -3.345 0.749 154 HB2 PRO 24 HB2 PRO 24 10.261 -5.241 -0.019 155 HB3 PRO 24 HB3 PRO 24 8.949 -5.534 1.148 156 HG2 PRO 24 HG2 PRO 24 9.028 -6.151 -1.840 157 HG3 PRO 24 HG3 PRO 24 8.416 -7.175 -0.518 158 HD2 PRO 24 HD2 PRO 24 6.715 -5.693 -2.060 159 HD3 PRO 24 HD3 PRO 24 6.403 -5.966 -0.329 160 H LYS 25 H LYS 25 8.712 -3.705 -2.818 161 HA LYS 25 HA LYS 25 11.173 -2.297 -3.061 162 HB2 LYS 25 HB2 LYS 25 9.041 -2.702 -5.150 163 HB3 LYS 25 HB3 LYS 25 10.689 -2.082 -5.402 164 HG2 LYS 25 HG2 LYS 25 11.570 -4.237 -4.426 165 HG3 LYS 25 HG3 LYS 25 9.899 -4.848 -4.402 166 HD2 LYS 25 HD2 LYS 25 10.995 -5.624 -6.434 167 HD3 LYS 25 HD3 LYS 25 9.764 -4.416 -6.873 168 HE2 LYS 25 HE2 LYS 25 11.846 -4.043 -8.126 169 HE3 LYS 25 HE3 LYS 25 11.526 -2.685 -7.022 170 HZ1 LYS 25 HZ1 LYS 25 13.368 -4.905 -6.514 171 HZ2 LYS 25 HZ2 LYS 25 13.794 -3.375 -6.959 172 HZ3 LYS 25 HZ3 LYS 25 13.076 -3.639 -5.498 173 H CYS 26 H CYS 26 7.855 -1.238 -2.492 174 HA CYS 26 HA CYS 26 7.941 1.297 -3.661 175 HB2 CYS 26 HB2 CYS 26 6.404 0.197 -1.293 176 HB3 CYS 26 HB3 CYS 26 6.174 1.826 -1.971 177 HG CYS 26 HG CYS 26 4.240 0.281 -2.691 178 H SER 27 H SER 27 9.155 -0.010 -0.554 179 HA SER 27 HA SER 27 9.583 2.398 0.819 180 HB2 SER 27 HB2 SER 27 11.092 -0.231 1.007 181 HB3 SER 27 HB3 SER 27 11.140 1.101 2.186 182 HG SER 27 HG SER 27 9.637 -0.533 2.756 183 H ALA 28 H ALA 28 11.537 0.563 -1.594 184 HA ALA 28 HA ALA 28 13.923 2.080 -1.262 185 HB1 ALA 28 HB1 ALA 28 12.942 0.525 -3.681 186 HB2 ALA 28 HB2 ALA 28 14.582 1.170 -3.434 187 HB3 ALA 28 HB3 ALA 28 13.963 -0.118 -2.373 188 H LEU 29 H LEU 29 14.504 3.992 -2.324 189 HA LEU 29 HA LEU 29 12.328 5.454 -3.595 190 HB2 LEU 29 HB2 LEU 29 14.803 6.147 -2.090 191 HB3 LEU 29 HB3 LEU 29 14.327 7.241 -3.411 192 HG LEU 29 HG LEU 29 12.022 7.344 -2.397 193 HD11 LEU 29 1HD1 LEU 29 13.352 5.917 -0.075 194 HD12 LEU 29 2HD1 LEU 29 11.732 6.652 -0.068 195 HD13 LEU 29 3HD1 LEU 29 12.072 5.256 -1.119 196 HD21 LEU 29 3HD2 LEU 29 14.348 8.194 -0.625 197 HD22 LEU 29 1HD2 LEU 29 13.707 9.103 -2.014 198 HD23 LEU 29 2HD2 LEU 29 12.699 8.860 -0.567 199 H GLN 30 H GLN 30 14.167 3.304 -4.985 200 HA GLN 30 HA GLN 30 15.793 4.534 -6.854 201 HB2 GLN 30 HB2 GLN 30 14.087 2.008 -7.105 202 HB3 GLN 30 HB3 GLN 30 15.430 2.456 -8.182 203 HG2 GLN 30 HG2 GLN 30 16.988 2.410 -6.266 204 HG3 GLN 30 HG3 GLN 30 15.656 1.964 -5.183 205 HE21 GLN 30 2HE2 GLN 30 18.234 0.557 -6.110 206 HE22 GLN 30 1HE2 GLN 30 17.689 -1.024 -6.624 207 H TYR 31 H TYR 31 12.287 3.670 -7.037 208 HA TYR 31 HA TYR 31 11.842 4.393 -9.699 209 HB2 TYR 31 HB2 TYR 31 10.274 2.983 -8.474 210 HB3 TYR 31 HB3 TYR 31 10.041 4.226 -7.241 211 HD1 TYR 31 HD1 TYR 31 9.565 3.616 -10.911 212 HD2 TYR 31 HD2 TYR 31 8.278 5.741 -7.401 213 HE1 TYR 31 HE1 TYR 31 7.639 4.535 -12.178 214 HE2 TYR 31 HE2 TYR 31 6.351 6.664 -8.655 215 HH TYR 31 HH TYR 31 5.250 6.747 -10.664 216 H ARG 32 H ARG 32 11.601 6.243 -6.662 217 HA ARG 32 HA ARG 32 10.440 8.584 -7.718 218 HB2 ARG 32 HB2 ARG 32 11.897 7.880 -5.157 219 HB3 ARG 32 HB3 ARG 32 11.139 9.473 -5.461 220 HG2 ARG 32 HG2 ARG 32 8.969 8.533 -5.702 221 HG3 ARG 32 HG3 ARG 32 9.603 6.917 -6.012 222 HD2 ARG 32 HD2 ARG 32 8.625 6.846 -3.876 223 HD3 ARG 32 HD3 ARG 32 10.381 6.770 -3.659 224 HE ARG 32 HE ARG 32 9.608 9.485 -3.461 225 HH11 ARG 32 2HH1 ARG 32 9.106 6.390 -1.808 226 HH12 ARG 32 1HH1 ARG 32 8.859 7.116 -0.235 227 HH21 ARG 32 2HH2 ARG 32 9.278 10.430 -1.379 228 HH22 ARG 32 1HH2 ARG 32 8.957 9.412 0.006 229 H ASN 33 H ASN 33 13.861 7.599 -7.243 230 HA ASN 33 HA ASN 33 14.923 10.139 -7.926 231 HB2 ASN 33 HB2 ASN 33 16.191 7.381 -8.172 232 HB3 ASN 33 HB3 ASN 33 17.038 8.934 -8.340 233 HD21 ASN 33 1HD2 ASN 33 16.766 6.491 -6.247 234 HD22 ASN 33 2HD2 ASN 33 16.822 7.338 -4.717 235 H GLY 34 H GLY 34 15.841 10.829 -9.935 236 HA2 GLY 34 HA2 GLY 34 16.330 10.623 -12.175 237 HA3 GLY 34 HA3 GLY 34 15.299 9.192 -12.287 238 H PHE 35 H PHE 35 13.312 11.232 -10.557 239 HA PHE 35 HA PHE 35 11.876 12.059 -12.927 240 HB2 PHE 35 HB2 PHE 35 11.233 12.196 -9.998 241 HB3 PHE 35 HB3 PHE 35 10.400 13.223 -11.167 242 HD1 PHE 35 HD1 PHE 35 10.892 9.707 -10.087 243 HD2 PHE 35 HD2 PHE 35 8.868 12.354 -12.801 244 HE1 PHE 35 HE1 PHE 35 9.279 7.914 -10.626 245 HE2 PHE 35 HE2 PHE 35 7.269 10.544 -13.363 246 HZ PHE 35 HZ PHE 35 7.469 8.325 -12.269 247 H TYR 36 H TYR 36 11.551 14.155 -13.595 248 HA TYR 36 HA TYR 36 13.638 15.985 -13.226 249 HB2 TYR 36 HB2 TYR 36 12.387 15.819 -15.294 250 HB3 TYR 36 HB3 TYR 36 10.873 16.193 -14.463 251 HD1 TYR 36 HD1 TYR 36 14.307 17.742 -14.625 252 HD2 TYR 36 HD2 TYR 36 10.051 18.298 -14.902 253 HE1 TYR 36 HE1 TYR 36 14.655 20.162 -15.036 254 HE2 TYR 36 HE2 TYR 36 10.386 20.718 -15.312 255 HH TYR 36 HH TYR 36 13.656 22.192 -15.428 256 H LEU 37 H LEU 37 10.260 16.099 -11.791 257 HA LEU 37 HA LEU 37 11.455 18.034 -9.907 258 HB2 LEU 37 HB2 LEU 37 8.662 18.196 -11.065 259 HB3 LEU 37 HB3 LEU 37 9.269 19.156 -9.705 260 HG LEU 37 HG LEU 37 10.474 19.179 -12.501 261 HD11 LEU 37 1HD1 LEU 37 8.636 21.185 -11.132 262 HD12 LEU 37 2HD1 LEU 37 9.361 21.361 -12.746 263 HD13 LEU 37 3HD1 LEU 37 8.158 20.086 -12.448 264 HD21 LEU 37 3HD2 LEU 37 10.879 20.979 -10.069 265 HD22 LEU 37 1HD2 LEU 37 12.069 19.832 -10.729 266 HD23 LEU 37 2HD2 LEU 37 11.584 21.249 -11.681 267 H LEU 38 H LEU 38 11.326 17.392 -7.876 268 HA LEU 38 HA LEU 38 9.983 15.036 -7.081 269 HB2 LEU 38 HB2 LEU 38 11.126 17.283 -5.401 270 HB3 LEU 38 HB3 LEU 38 10.514 15.741 -4.781 271 HG LEU 38 HG LEU 38 12.852 16.058 -6.710 272 HD11 LEU 38 1HD1 LEU 38 12.732 15.323 -3.752 273 HD12 LEU 38 2HD1 LEU 38 14.200 15.360 -4.756 274 HD13 LEU 38 3HD1 LEU 38 13.318 16.867 -4.415 275 HD21 LEU 38 3HD2 LEU 38 11.678 13.615 -5.306 276 HD22 LEU 38 1HD2 LEU 38 11.730 13.909 -7.062 277 HD23 LEU 38 2HD2 LEU 38 13.235 13.639 -6.166 278 H LYS 39 H LYS 39 9.317 18.507 -6.906 279 HA LYS 39 HA LYS 39 7.137 18.555 -5.176 280 HB2 LYS 39 HB2 LYS 39 7.868 20.408 -7.483 281 HB3 LYS 39 HB3 LYS 39 6.693 20.761 -6.205 282 HG2 LYS 39 HG2 LYS 39 8.488 20.618 -4.506 283 HG3 LYS 39 HG3 LYS 39 9.675 20.287 -5.795 284 HD2 LYS 39 HD2 LYS 39 9.109 22.442 -6.875 285 HD3 LYS 39 HD3 LYS 39 7.908 22.769 -5.606 286 HE2 LYS 39 HE2 LYS 39 9.695 22.730 -3.899 287 HE3 LYS 39 HE3 LYS 39 10.898 22.402 -5.165 288 HZ1 LYS 39 HZ1 LYS 39 10.312 24.485 -6.172 289 HZ2 LYS 39 HZ2 LYS 39 10.804 24.716 -4.615 290 HZ3 LYS 39 HZ3 LYS 39 9.200 24.792 -4.994 291 H TYR 40 H TYR 40 7.290 17.597 -8.611 292 HA TYR 40 HA TYR 40 4.679 18.320 -9.358 293 HB2 TYR 40 HB2 TYR 40 6.417 17.746 -10.991 294 HB3 TYR 40 HB3 TYR 40 6.447 16.079 -10.393 295 HD1 TYR 40 HD1 TYR 40 4.275 18.651 -11.991 296 HD2 TYR 40 HD2 TYR 40 4.869 14.474 -11.171 297 HE1 TYR 40 HE1 TYR 40 2.391 18.098 -13.505 298 HE2 TYR 40 HE2 TYR 40 2.997 13.902 -12.692 299 HH TYR 40 HH TYR 40 1.122 16.431 -14.428 300 H ASP 41 H ASP 41 2.740 17.458 -9.063 301 HA ASP 41 HA ASP 41 2.503 15.422 -7.030 302 HB2 ASP 41 HB2 ASP 41 1.023 17.379 -6.941 303 HB3 ASP 41 HB3 ASP 41 0.380 16.982 -8.547 304 H GLU 42 H GLU 42 2.413 13.409 -7.355 305 HA GLU 42 HA GLU 42 1.034 12.238 -9.617 306 HB2 GLU 42 HB2 GLU 42 3.459 12.579 -10.296 307 HB3 GLU 42 HB3 GLU 42 3.908 11.451 -9.009 308 HG2 GLU 42 HG2 GLU 42 2.617 9.667 -10.097 309 HG3 GLU 42 HG3 GLU 42 2.006 10.818 -11.306 310 H GLU 43 H GLU 43 1.401 9.561 -8.953 311 HA GLU 43 HA GLU 43 0.037 9.261 -6.528 312 HB2 GLU 43 HB2 GLU 43 -0.126 7.705 -8.425 313 HB3 GLU 43 HB3 GLU 43 1.564 7.218 -8.174 314 HG2 GLU 43 HG2 GLU 43 1.015 6.377 -5.932 315 HG3 GLU 43 HG3 GLU 43 -0.654 6.954 -6.103 316 H TRP 44 H TRP 44 3.545 8.890 -7.331 317 HA TRP 44 HA TRP 44 4.268 7.892 -4.767 318 HB2 TRP 44 HB2 TRP 44 6.545 8.321 -5.395 319 HB3 TRP 44 HB3 TRP 44 5.671 7.416 -6.627 320 HD1 TRP 44 HD1 TRP 44 5.113 8.693 -8.926 321 HE1 TRP 44 HE1 TRP 44 6.326 10.577 -10.136 322 HE3 TRP 44 HE3 TRP 44 7.837 10.514 -5.007 323 HZ2 TRP 44 HZ2 TRP 44 8.353 12.552 -9.509 324 HZ3 TRP 44 HZ3 TRP 44 9.442 12.365 -5.355 325 HH2 TRP 44 HH2 TRP 44 9.746 13.328 -7.630 326 H TYR 45 H TYR 45 5.345 8.847 -3.040 327 HA TYR 45 HA TYR 45 4.224 11.349 -2.283 328 HB2 TYR 45 HB2 TYR 45 6.464 9.723 -0.998 329 HB3 TYR 45 HB3 TYR 45 5.679 11.138 -0.278 330 HD1 TYR 45 HD2 TYR 45 3.233 11.052 0.281 331 HD2 TYR 45 HD1 TYR 45 5.443 7.560 -0.907 332 HE1 TYR 45 HE2 TYR 45 1.433 9.611 1.197 333 HE2 TYR 45 HE1 TYR 45 3.649 6.110 0.006 334 HH TYR 45 HH TYR 45 1.613 6.028 1.052 335 HA PRO 46 HA PRO 46 7.380 13.908 -4.114 336 HB2 PRO 46 HB2 PRO 46 6.034 15.908 -2.302 337 HB3 PRO 46 HB3 PRO 46 6.487 16.096 -4.027 338 HG2 PRO 46 HG2 PRO 46 3.914 15.621 -3.369 339 HG3 PRO 46 HG3 PRO 46 4.663 14.704 -4.723 340 HD2 PRO 46 HD2 PRO 46 4.261 13.811 -1.854 341 HD3 PRO 46 HD3 PRO 46 3.918 12.927 -3.376 342 H GLU 47 H GLU 47 6.784 13.889 -0.555 343 HA GLU 47 HA GLU 47 9.353 15.056 -0.018 344 HB2 GLU 47 HB2 GLU 47 7.486 15.288 1.619 345 HB3 GLU 47 HB3 GLU 47 7.499 13.529 1.856 346 HG2 GLU 47 HG2 GLU 47 9.857 13.645 2.609 347 HG3 GLU 47 HG3 GLU 47 9.862 15.396 2.334 348 H GLU 48 H GLU 48 11.249 13.875 0.046 349 HA GLU 48 HA GLU 48 11.002 10.965 -0.198 350 HB2 GLU 48 HB2 GLU 48 13.217 12.845 -0.959 351 HB3 GLU 48 HB3 GLU 48 13.400 11.083 -0.884 352 HG2 GLU 48 HG2 GLU 48 11.517 10.865 -2.506 353 HG3 GLU 48 HG3 GLU 48 11.432 12.638 -2.614 354 H LEU 49 H LEU 49 11.708 9.590 1.144 355 HA LEU 49 HA LEU 49 12.247 10.204 3.810 356 HB2 LEU 49 HB2 LEU 49 12.856 7.656 2.247 357 HB3 LEU 49 HB3 LEU 49 12.688 7.798 4.007 358 HG LEU 49 HG LEU 49 10.487 8.320 1.957 359 HD11 LEU 49 1HD1 LEU 49 10.915 6.036 3.925 360 HD12 LEU 49 2HD1 LEU 49 9.507 6.245 2.857 361 HD13 LEU 49 3HD1 LEU 49 11.114 5.940 2.159 362 HD21 LEU 49 3HD2 LEU 49 10.437 8.274 5.007 363 HD22 LEU 49 1HD2 LEU 49 10.191 9.704 3.974 364 HD23 LEU 49 2HD2 LEU 49 9.005 8.383 3.956 365 H LEU 50 H LEU 50 14.460 9.156 1.130 366 HA LEU 50 HA LEU 50 16.773 8.922 2.697 367 HB2 LEU 50 HB2 LEU 50 16.462 9.495 -0.260 368 HB3 LEU 50 HB3 LEU 50 18.015 9.213 0.548 369 HG LEU 50 HG LEU 50 15.706 7.224 0.585 370 HD11 LEU 50 1HD1 LEU 50 18.235 7.294 -1.118 371 HD12 LEU 50 2HD1 LEU 50 17.030 5.984 -1.091 372 HD13 LEU 50 3HD1 LEU 50 16.584 7.592 -1.707 373 HD21 LEU 50 3HD2 LEU 50 18.647 7.001 1.350 374 HD22 LEU 50 1HD2 LEU 50 17.264 6.957 2.469 375 HD23 LEU 50 2HD2 LEU 50 17.493 5.648 1.294 376 H THR 51 H THR 51 15.385 11.719 0.857 377 HA THR 51 HA THR 51 17.717 13.305 1.504 378 HB THR 51 HB THR 51 16.556 15.088 0.328 379 HG1 THR 51 HG1 THR 51 14.440 14.426 0.811 380 HG21 THR 51 1HG2 THR 51 16.577 12.433 -1.174 381 HG22 THR 51 2HG2 THR 51 16.637 14.051 -1.910 382 HG23 THR 51 3HG2 THR 51 17.993 13.479 -0.911 383 H ASP 52 H ASP 52 17.710 13.349 3.821 384 HA ASP 52 HA ASP 52 15.302 14.534 4.997 385 HB2 ASP 52 HB2 ASP 52 16.206 12.635 6.237 386 HB3 ASP 52 HB3 ASP 52 17.810 13.394 6.296 387 H GLY 53 H GLY 53 15.336 16.638 4.379 388 HA2 GLY 53 HA2 GLY 53 15.812 18.798 4.744 389 HA3 GLY 53 HA3 GLY 53 17.375 18.358 5.438 390 H GLU 54 H GLU 54 17.573 16.643 2.633 391 HA GLU 54 HA GLU 54 19.218 18.600 1.377 392 HB2 GLU 54 HB2 GLU 54 18.228 15.953 0.285 393 HB3 GLU 54 HB3 GLU 54 19.512 16.969 -0.385 394 HG2 GLU 54 HG2 GLU 54 20.781 16.740 1.744 395 HG3 GLU 54 HG3 GLU 54 19.512 15.666 2.369 396 H ASP 55 H ASP 55 15.917 17.296 0.735 397 HA ASP 55 HA ASP 55 15.500 18.656 -1.700 398 HB2 ASP 55 HB2 ASP 55 13.123 18.206 -1.363 399 HB3 ASP 55 HB3 ASP 55 14.095 16.752 -1.079 400 H ASP 56 H ASP 56 14.794 19.426 1.705 401 HA ASP 56 HA ASP 56 14.107 21.200 2.829 402 HB2 ASP 56 HB2 ASP 56 16.387 21.930 2.230 403 HB3 ASP 56 HB3 ASP 56 15.721 22.784 0.825 404 H VAL 57 H VAL 57 12.128 20.182 1.099 405 HA VAL 57 HA VAL 57 10.886 22.642 0.057 406 HB VAL 57 HB VAL 57 10.099 19.738 -0.340 407 HG11 VAL 57 1HG1 VAL 57 8.990 22.330 -1.504 408 HG12 VAL 57 2HG1 VAL 57 8.511 20.688 -1.995 409 HG13 VAL 57 3HG1 VAL 57 8.157 21.261 -0.351 410 HG21 VAL 57 3HG2 VAL 57 11.360 21.784 -2.216 411 HG22 VAL 57 1HG2 VAL 57 12.161 20.342 -1.548 412 HG23 VAL 57 2HG2 VAL 57 10.805 20.159 -2.681 413 H PHE 58 H PHE 58 10.440 19.671 2.062 414 HA PHE 58 HA PHE 58 7.976 20.503 3.209 415 HB2 PHE 58 HB2 PHE 58 9.686 18.131 3.609 416 HB3 PHE 58 HB3 PHE 58 8.319 18.539 4.677 417 HD1 PHE 58 HD1 PHE 58 9.254 17.903 1.117 418 HD2 PHE 58 HD2 PHE 58 6.051 18.474 3.929 419 HE1 PHE 58 HE1 PHE 58 7.605 17.305 -0.637 420 HE2 PHE 58 HE2 PHE 58 4.404 17.874 2.177 421 HZ PHE 58 HZ PHE 58 5.180 17.293 -0.109 422 H ASP 59 H ASP 59 11.265 21.019 4.474 423 HA ASP 59 HA ASP 59 10.317 21.690 7.045 424 HB2 ASP 59 HB2 ASP 59 12.783 22.797 5.681 425 HB3 ASP 59 HB3 ASP 59 12.422 22.780 7.419 426 HA PRO 60 HA PRO 60 9.702 26.141 5.684 427 HB2 PRO 60 HB2 PRO 60 9.691 27.015 3.102 428 HB3 PRO 60 HB3 PRO 60 11.201 26.862 4.070 429 HG2 PRO 60 HG2 PRO 60 10.023 24.859 2.119 430 HG3 PRO 60 HG3 PRO 60 11.711 25.461 2.183 431 HD2 PRO 60 HD2 PRO 60 11.000 23.089 3.325 432 HD3 PRO 60 HD3 PRO 60 12.189 24.171 4.110 433 H ASP 61 H ASP 61 8.299 23.534 3.822 434 HA ASP 61 HA ASP 61 6.282 22.975 3.145 435 HB2 ASP 61 HB2 ASP 61 5.996 22.962 5.624 436 HB3 ASP 61 HB3 ASP 61 5.243 24.563 5.490 437 H LEU 62 H LEU 62 7.308 24.916 1.552 438 HA LEU 62 HA LEU 62 4.996 26.662 1.026 439 HB2 LEU 62 HB2 LEU 62 7.838 26.896 -0.056 440 HB3 LEU 62 HB3 LEU 62 6.480 27.979 -0.422 441 HG LEU 62 HG LEU 62 7.698 27.529 2.338 442 HD11 LEU 62 1HD1 LEU 62 7.886 29.879 0.408 443 HD12 LEU 62 2HD1 LEU 62 8.568 29.825 2.051 444 HD13 LEU 62 3HD1 LEU 62 9.196 28.737 0.791 445 HD21 LEU 62 3HD2 LEU 62 5.565 29.476 1.361 446 HD22 LEU 62 1HD2 LEU 62 5.319 28.121 2.490 447 HD23 LEU 62 2HD2 LEU 62 6.320 29.505 2.972 448 H ASP 63 H ASP 63 3.806 25.989 -0.771 449 HA ASP 63 HA ASP 63 5.092 24.027 -2.558 450 HB2 ASP 63 HB2 ASP 63 3.078 23.181 -1.323 451 HB3 ASP 63 HB3 ASP 63 2.113 24.473 -2.066 452 H MET 64 H MET 64 5.525 24.867 -4.578 453 HA MET 64 HA MET 64 4.182 27.387 -5.298 454 HB2 MET 64 HB2 MET 64 6.873 26.308 -6.236 455 HB3 MET 64 HB3 MET 64 6.104 27.822 -6.766 456 HG2 MET 64 HG2 MET 64 6.153 28.660 -4.447 457 HG3 MET 64 HG3 MET 64 6.880 27.142 -3.903 458 HE1 MET 64 HE1 MET 64 8.754 28.401 -2.656 459 HE2 MET 64 HE2 MET 64 9.775 29.665 -3.382 460 HE3 MET 64 HE3 MET 64 8.032 29.948 -3.160 461 H GLU 65 H GLU 65 2.555 26.881 -6.604 462 HA GLU 65 HA GLU 65 2.204 24.471 -7.980 463 HB2 GLU 65 HB2 GLU 65 0.853 27.159 -8.385 464 HB3 GLU 65 HB3 GLU 65 0.314 25.599 -9.051 465 HG2 GLU 65 HG2 GLU 65 0.117 24.697 -6.743 466 HG3 GLU 65 HG3 GLU 65 0.593 26.278 -6.093 467 H VAL 66 H VAL 66 3.370 27.666 -9.053 468 HA VAL 66 HA VAL 66 3.369 27.177 -11.807 469 HB VAL 66 HB VAL 66 5.104 29.020 -10.136 470 HG11 VAL 66 1HG1 VAL 66 4.424 28.992 -13.109 471 HG12 VAL 66 2HG1 VAL 66 5.309 30.286 -12.266 472 HG13 VAL 66 3HG1 VAL 66 6.022 28.665 -12.396 473 HG21 VAL 66 3HG2 VAL 66 2.455 29.457 -11.584 474 HG22 VAL 66 1HG2 VAL 66 2.688 29.421 -9.820 475 HG23 VAL 66 2HG2 VAL 66 3.417 30.722 -10.785 476 H VAL 67 H VAL 67 5.929 26.638 -9.281 477 HA VAL 67 HA VAL 67 7.941 25.901 -11.111 478 HB VAL 67 HB VAL 67 7.583 25.165 -8.209 479 HG11 VAL 67 1HG1 VAL 67 10.008 25.012 -10.047 480 HG12 VAL 67 2HG1 VAL 67 10.025 24.745 -8.288 481 HG13 VAL 67 3HG1 VAL 67 9.134 23.630 -9.342 482 HG21 VAL 67 3HG2 VAL 67 9.173 27.371 -9.587 483 HG22 VAL 67 1HG2 VAL 67 7.704 27.598 -8.608 484 HG23 VAL 67 2HG2 VAL 67 9.194 27.006 -7.845 485 H PHE 68 H PHE 68 5.544 23.795 -9.254 486 HA PHE 68 HA PHE 68 6.674 21.468 -10.498 487 HB2 PHE 68 HB2 PHE 68 5.339 20.119 -9.464 488 HB3 PHE 68 HB3 PHE 68 5.560 21.397 -8.290 489 HD1 PHE 68 HD1 PHE 68 3.188 19.711 -10.540 490 HD2 PHE 68 HD2 PHE 68 3.680 22.711 -7.503 491 HE1 PHE 68 HE1 PHE 68 0.742 19.709 -10.147 492 HE2 PHE 68 HE2 PHE 68 1.232 22.706 -7.105 493 HZ PHE 68 HZ PHE 68 -0.238 21.208 -8.429 494 H GLU 69 H GLU 69 3.948 23.561 -11.459 495 HA GLU 69 HA GLU 69 3.229 21.650 -13.493 496 HB2 GLU 69 HB2 GLU 69 2.227 24.452 -13.043 497 HB3 GLU 69 HB3 GLU 69 1.602 23.304 -14.237 498 HG2 GLU 69 HG2 GLU 69 0.986 21.741 -12.426 499 HG3 GLU 69 HG3 GLU 69 1.653 22.856 -11.222 500 H THR 70 H THR 70 5.172 21.359 -14.509 501 HA THR 70 HA THR 70 6.529 23.287 -16.036 502 HB THR 70 HB THR 70 6.219 20.283 -16.400 503 HG1 THR 70 HG1 THR 70 7.063 20.941 -14.374 504 HG21 THR 70 1HG2 THR 70 8.318 22.249 -17.415 505 HG22 THR 70 2HG2 THR 70 8.388 20.480 -17.592 506 HG23 THR 70 3HG2 THR 70 7.110 21.404 -18.413 507 H GLN 71 H GLN 71 3.818 21.007 -16.590 508 HA GLN 71 HA GLN 71 3.380 21.623 -19.341 509 HB2 GLN 71 HB2 GLN 71 0.961 20.649 -18.609 510 HB3 GLN 71 HB3 GLN 71 2.346 19.680 -19.087 511 HG2 GLN 71 HG2 GLN 71 1.613 18.566 -17.229 512 HG3 GLN 71 HG3 GLN 71 2.941 19.528 -16.579 513 HE21 GLN 71 1HE2 GLN 71 2.479 21.164 -15.068 514 HE22 GLN 71 2HE2 GLN 71 0.885 21.398 -14.384 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -13.163 -10.750 -15.122 2 H2 GLY 1 H2 GLY 1 -12.987 -9.683 -13.815 3 H3 GLY 1 H3 GLY 1 -11.851 -9.685 -15.075 4 HA2 GLY 1 HA3 GLY 1 -11.201 -10.822 -12.924 5 HA3 GLY 1 HA2 GLY 1 -12.335 -12.090 -13.449 6 H SER 2 H SER 2 -9.305 -11.864 -13.118 7 HA SER 2 HA SER 2 -8.612 -12.918 -15.773 8 HB2 SER 2 HB2 SER 2 -6.355 -12.021 -15.535 9 HB3 SER 2 HB3 SER 2 -7.547 -10.699 -15.537 10 HG SER 2 HG SER 2 -5.987 -10.491 -13.866 11 H THR 3 H THR 3 -7.029 -14.616 -15.716 12 HA THR 3 HA THR 3 -7.199 -16.168 -13.275 13 HB THR 3 HB THR 3 -5.849 -16.824 -15.884 14 HG1 THR 3 HG1 THR 3 -7.746 -18.092 -16.121 15 HG21 THR 3 1HG2 THR 3 -6.627 -18.513 -13.469 16 HG22 THR 3 2HG2 THR 3 -5.926 -19.124 -14.988 17 HG23 THR 3 3HG2 THR 3 -4.968 -18.061 -13.931 18 H ALA 4 H ALA 4 -6.111 -14.712 -11.935 19 HA ALA 4 HA ALA 4 -3.222 -14.447 -12.383 20 HB1 ALA 4 HB1 ALA 4 -5.056 -12.854 -10.533 21 HB2 ALA 4 HB2 ALA 4 -3.298 -12.641 -10.708 22 HB3 ALA 4 HB3 ALA 4 -4.380 -12.264 -12.070 23 H MET 5 H MET 5 -1.935 -15.306 -10.674 24 HA MET 5 HA MET 5 -3.055 -17.409 -9.171 25 HB2 MET 5 HB2 MET 5 -0.926 -17.727 -8.205 26 HB3 MET 5 HB3 MET 5 -0.627 -17.227 -9.886 27 HG2 MET 5 HG2 MET 5 -0.483 -15.415 -7.449 28 HG3 MET 5 HG3 MET 5 0.906 -16.113 -8.315 29 HE1 MET 5 HE1 MET 5 2.001 -13.772 -8.359 30 HE2 MET 5 HE2 MET 5 1.204 -12.313 -8.993 31 HE3 MET 5 HE3 MET 5 0.592 -13.090 -7.514 32 H ALA 6 H ALA 6 -3.944 -17.569 -7.341 33 HA ALA 6 HA ALA 6 -5.029 -17.109 -5.471 34 HB1 ALA 6 HB1 ALA 6 -2.640 -15.342 -4.894 35 HB2 ALA 6 HB2 ALA 6 -3.860 -15.882 -3.717 36 HB3 ALA 6 HB3 ALA 6 -2.800 -17.072 -4.509 37 H THR 7 H THR 7 -5.657 -15.451 -7.868 38 HA THR 7 HA THR 7 -6.855 -13.720 -8.519 39 HB THR 7 HB THR 7 -8.813 -13.187 -7.313 40 HG1 THR 7 HG1 THR 7 -7.900 -13.230 -5.213 41 HG21 THR 7 1HG2 THR 7 -8.097 -16.146 -7.213 42 HG22 THR 7 2HG2 THR 7 -9.744 -15.471 -7.210 43 HG23 THR 7 3HG2 THR 7 -8.702 -15.268 -8.637 44 H THR 8 H THR 8 -4.337 -12.898 -7.780 45 HA THR 8 HA THR 8 -4.467 -10.620 -6.062 46 HB THR 8 HB THR 8 -2.407 -11.420 -8.121 47 HG1 THR 8 HG1 THR 8 -2.756 -12.919 -6.410 48 HG21 THR 8 1HG2 THR 8 -2.283 -9.479 -5.782 49 HG22 THR 8 2HG2 THR 8 -0.921 -9.944 -6.828 50 HG23 THR 8 3HG2 THR 8 -2.293 -9.034 -7.504 51 H MET 9 H MET 9 -4.748 -8.450 -6.610 52 HA MET 9 HA MET 9 -6.173 -7.983 -9.070 53 HB2 MET 9 HB2 MET 9 -6.680 -6.852 -6.809 54 HB3 MET 9 HB3 MET 9 -5.259 -5.836 -7.155 55 HG2 MET 9 HG2 MET 9 -7.252 -4.717 -8.023 56 HG3 MET 9 HG3 MET 9 -6.270 -5.283 -9.395 57 HE1 MET 9 HE1 MET 9 -8.175 -5.021 -11.110 58 HE2 MET 9 HE2 MET 9 -9.832 -5.624 -10.868 59 HE3 MET 9 HE3 MET 9 -9.193 -4.333 -9.822 60 H GLU 10 H GLU 10 -5.332 -7.162 -10.879 61 HA GLU 10 HA GLU 10 -2.556 -7.189 -11.344 62 HB2 GLU 10 HB2 GLU 10 -4.771 -6.070 -13.069 63 HB3 GLU 10 HB3 GLU 10 -3.107 -6.447 -13.570 64 HG2 GLU 10 HG2 GLU 10 -3.482 -8.828 -12.955 65 HG3 GLU 10 HG3 GLU 10 -5.161 -8.434 -12.518 66 H GLN 11 H GLN 11 -4.712 -4.292 -10.852 67 HA GLN 11 HA GLN 11 -2.551 -2.614 -11.752 68 HB2 GLN 11 HB2 GLN 11 -3.683 -0.681 -10.886 69 HB3 GLN 11 HB3 GLN 11 -4.714 -1.638 -11.976 70 HG2 GLN 11 HG2 GLN 11 -4.912 -2.287 -9.078 71 HG3 GLN 11 HG3 GLN 11 -5.543 -0.700 -9.579 72 HE21 GLN 11 1HE2 GLN 11 -7.709 -0.989 -9.459 73 HE22 GLN 11 2HE2 GLN 11 -8.592 -2.208 -10.351 74 H GLU 12 H GLU 12 -1.461 -1.018 -10.655 75 HA GLU 12 HA GLU 12 -0.238 -2.038 -8.263 76 HB2 GLU 12 HB2 GLU 12 0.345 0.511 -9.804 77 HB3 GLU 12 HB3 GLU 12 1.368 -0.271 -8.575 78 HG2 GLU 12 HG2 GLU 12 1.503 -2.274 -10.104 79 HG3 GLU 12 HG3 GLU 12 0.697 -1.288 -11.347 80 H ILE 13 H ILE 13 -1.885 -1.988 -6.786 81 HA ILE 13 HA ILE 13 -3.204 0.494 -6.083 82 HB ILE 13 HB ILE 13 -4.441 -0.785 -4.484 83 HG12 ILE 13 2HG1 ILE 13 -4.366 -3.303 -4.674 84 HG13 ILE 13 3HG1 ILE 13 -2.777 -3.123 -5.455 85 HG21 ILE 13 1HG2 ILE 13 -4.266 -2.010 -7.275 86 HG22 ILE 13 2HG2 ILE 13 -5.661 -2.131 -6.178 87 HG23 ILE 13 3HG2 ILE 13 -5.185 -0.550 -6.842 88 HD11 ILE 13 3HD1 ILE 13 -1.920 -1.984 -3.449 89 HD12 ILE 13 1HD1 ILE 13 -3.509 -2.163 -2.668 90 HD13 ILE 13 2HD1 ILE 13 -2.544 -3.605 -3.067 91 H CYS 14 H CYS 14 -0.186 -0.698 -4.937 92 HA CYS 14 HA CYS 14 -0.551 0.007 -2.216 93 HB2 CYS 14 HB2 CYS 14 1.383 -1.349 -2.948 94 HB3 CYS 14 HB3 CYS 14 2.079 0.120 -3.673 95 H ALA 15 H ALA 15 0.034 1.822 -1.093 96 HA ALA 15 HA ALA 15 -0.923 4.234 -2.133 97 HB1 ALA 15 HB1 ALA 15 0.797 3.718 0.323 98 HB2 ALA 15 HB2 ALA 15 -0.113 5.208 -0.027 99 HB3 ALA 15 HB3 ALA 15 -0.982 3.683 0.267 100 H HIS 16 H HIS 16 2.462 3.090 -1.590 101 HA HIS 16 HA HIS 16 3.677 5.547 -2.199 102 HB2 HIS 16 HB2 HIS 16 4.718 2.723 -2.383 103 HB3 HIS 16 HB3 HIS 16 5.695 4.182 -2.665 104 HD2 HIS 16 HD2 HIS 16 6.937 5.160 -0.514 105 HE1 HIS 16 HE1 HIS 16 4.567 3.252 2.430 106 H SER 17 H SER 17 2.732 2.789 -4.392 107 HA SER 17 HA SER 17 2.214 4.198 -6.631 108 HB2 SER 17 HB2 SER 17 4.182 3.938 -8.112 109 HB3 SER 17 HB3 SER 17 4.435 5.162 -6.844 110 HG SER 17 HG SER 17 6.216 3.750 -7.087 111 H MET 18 H MET 18 4.345 1.422 -5.706 112 HA MET 18 HA MET 18 3.420 -0.159 -7.918 113 HB2 MET 18 HB2 MET 18 5.211 -0.967 -5.635 114 HB3 MET 18 HB3 MET 18 4.991 -1.784 -7.201 115 HG2 MET 18 HG2 MET 18 5.878 0.264 -8.325 116 HG3 MET 18 HG3 MET 18 6.225 0.942 -6.716 117 HE1 MET 18 HE1 MET 18 8.702 1.334 -7.490 118 HE2 MET 18 HE2 MET 18 9.751 0.060 -8.155 119 HE3 MET 18 HE3 MET 18 8.333 0.616 -9.075 120 H THR 19 H THR 19 3.294 -2.660 -7.304 121 HA THR 19 HA THR 19 0.558 -2.944 -6.485 122 HB THR 19 HB THR 19 2.676 -4.981 -7.293 123 HG1 THR 19 HG1 THR 19 2.158 -3.404 -8.890 124 HG21 THR 19 1HG2 THR 19 -0.356 -5.193 -7.222 125 HG22 THR 19 2HG2 THR 19 0.770 -6.429 -7.832 126 HG23 THR 19 3HG2 THR 19 0.769 -6.000 -6.104 127 H PHE 20 H PHE 20 -0.018 -4.713 -4.872 128 HA PHE 20 HA PHE 20 0.944 -4.227 -2.313 129 HB2 PHE 20 HB2 PHE 20 -1.336 -5.070 -2.922 130 HB3 PHE 20 HB3 PHE 20 -0.618 -6.566 -3.565 131 HD1 PHE 20 HD2 PHE 20 -1.289 -4.608 -0.487 132 HD2 PHE 20 HD1 PHE 20 0.036 -8.352 -2.131 133 HE1 PHE 20 HE2 PHE 20 -1.443 -5.649 1.758 134 HE2 PHE 20 HE1 PHE 20 -0.118 -9.394 0.114 135 HZ PHE 20 HZ PHE 20 -0.858 -8.042 2.061 136 H GLU 21 H GLU 21 1.586 -6.806 -4.751 137 HA GLU 21 HA GLU 21 3.262 -8.456 -3.221 138 HB2 GLU 21 HB2 GLU 21 2.024 -9.072 -5.325 139 HB3 GLU 21 HB3 GLU 21 3.121 -8.010 -6.238 140 HG2 GLU 21 HG2 GLU 21 5.035 -9.367 -5.617 141 HG3 GLU 21 HG3 GLU 21 4.028 -10.363 -4.539 142 H GLU 22 H GLU 22 3.821 -5.581 -5.278 143 HA GLU 22 HA GLU 22 6.709 -5.727 -5.049 144 HB2 GLU 22 HB2 GLU 22 4.867 -3.819 -6.544 145 HB3 GLU 22 HB3 GLU 22 6.645 -3.823 -6.612 146 HG2 GLU 22 HG2 GLU 22 4.875 -6.154 -7.431 147 HG3 GLU 22 HG3 GLU 22 5.589 -4.970 -8.552 148 H CYS 23 H CYS 23 4.478 -4.833 -2.852 149 HA CYS 23 HA CYS 23 4.948 -2.206 -2.206 150 HB2 CYS 23 HB2 CYS 23 3.165 -3.576 -1.191 151 HB3 CYS 23 HB3 CYS 23 4.402 -4.429 -0.236 152 HG CYS 23 HG CYS 23 3.189 -2.664 1.253 153 HA PRO 24 HA PRO 24 8.609 -3.352 0.610 154 HB2 PRO 24 HB2 PRO 24 10.381 -5.247 -0.197 155 HB3 PRO 24 HB3 PRO 24 9.087 -5.544 0.989 156 HG2 PRO 24 HG2 PRO 24 9.117 -6.143 -2.004 157 HG3 PRO 24 HG3 PRO 24 8.524 -7.174 -0.679 158 HD2 PRO 24 HD2 PRO 24 6.801 -5.680 -2.184 159 HD3 PRO 24 HD3 PRO 24 6.517 -5.962 -0.450 160 H LYS 25 H LYS 25 8.790 -3.692 -2.963 161 HA LYS 25 HA LYS 25 11.251 -2.288 -3.236 162 HB2 LYS 25 HB2 LYS 25 9.084 -2.676 -5.293 163 HB3 LYS 25 HB3 LYS 25 10.730 -2.058 -5.568 164 HG2 LYS 25 HG2 LYS 25 11.622 -4.220 -4.619 165 HG3 LYS 25 HG3 LYS 25 9.950 -4.828 -4.572 166 HD2 LYS 25 HD2 LYS 25 11.011 -5.595 -6.626 167 HD3 LYS 25 HD3 LYS 25 9.776 -4.381 -7.038 168 HE2 LYS 25 HE2 LYS 25 11.839 -4.006 -8.322 169 HE3 LYS 25 HE3 LYS 25 11.540 -2.653 -7.205 170 HZ1 LYS 25 HZ1 LYS 25 13.384 -4.880 -6.740 171 HZ2 LYS 25 HZ2 LYS 25 13.807 -3.349 -7.183 172 HZ3 LYS 25 HZ3 LYS 25 13.111 -3.619 -5.711 173 H CYS 26 H CYS 26 7.944 -1.224 -2.609 174 HA CYS 26 HA CYS 26 8.017 1.317 -3.765 175 HB2 CYS 26 HB2 CYS 26 6.517 0.206 -1.378 176 HB3 CYS 26 HB3 CYS 26 6.279 1.840 -2.043 177 HG CYS 26 HG CYS 26 4.331 0.303 -2.741 178 H SER 27 H SER 27 9.278 -0.011 -0.685 179 HA SER 27 HA SER 27 9.734 2.389 0.695 180 HB2 SER 27 HB2 SER 27 11.239 -0.245 0.844 181 HB3 SER 27 HB3 SER 27 11.309 1.080 2.030 182 HG SER 27 HG SER 27 9.812 -0.554 2.614 183 H ALA 28 H ALA 28 11.645 0.564 -1.760 184 HA ALA 28 HA ALA 28 14.039 2.074 -1.457 185 HB1 ALA 28 HB1 ALA 28 13.016 0.535 -3.869 186 HB2 ALA 28 HB2 ALA 28 14.661 1.175 -3.645 187 HB3 ALA 28 HB3 ALA 28 14.057 -0.118 -2.581 188 H LEU 29 H LEU 29 14.607 3.990 -2.518 189 HA LEU 29 HA LEU 29 12.415 5.464 -3.745 190 HB2 LEU 29 HB2 LEU 29 14.914 6.143 -2.276 191 HB3 LEU 29 HB3 LEU 29 14.420 7.245 -3.582 192 HG LEU 29 HG LEU 29 12.132 7.348 -2.531 193 HD11 LEU 29 1HD1 LEU 29 13.496 5.905 -0.239 194 HD12 LEU 29 2HD1 LEU 29 11.877 6.643 -0.202 195 HD13 LEU 29 3HD1 LEU 29 12.198 5.253 -1.266 196 HD21 LEU 29 3HD2 LEU 29 14.488 8.183 -0.792 197 HD22 LEU 29 1HD2 LEU 29 13.826 9.101 -2.165 198 HD23 LEU 29 2HD2 LEU 29 12.842 8.852 -0.703 199 H GLN 30 H GLN 30 14.305 3.332 -5.158 200 HA GLN 30 HA GLN 30 15.860 4.694 -7.028 201 HB2 GLN 30 HB2 GLN 30 14.410 2.021 -7.227 202 HB3 GLN 30 HB3 GLN 30 15.722 2.572 -8.292 203 HG2 GLN 30 HG2 GLN 30 17.247 2.714 -6.360 204 HG3 GLN 30 HG3 GLN 30 15.943 2.201 -5.274 205 HE21 GLN 30 2HE2 GLN 30 18.136 0.704 -5.109 206 HE22 GLN 30 1HE2 GLN 30 17.944 -0.832 -5.926 207 H TYR 31 H TYR 31 12.430 3.664 -7.090 208 HA TYR 31 HA TYR 31 11.849 4.319 -9.742 209 HB2 TYR 31 HB2 TYR 31 10.520 2.828 -8.247 210 HB3 TYR 31 HB3 TYR 31 10.110 4.212 -7.231 211 HD1 TYR 31 HD1 TYR 31 9.910 3.102 -10.812 212 HD2 TYR 31 HD2 TYR 31 8.073 5.282 -7.594 213 HE1 TYR 31 HE1 TYR 31 7.914 3.495 -12.228 214 HE2 TYR 31 HE2 TYR 31 6.063 5.663 -8.993 215 HH TYR 31 HH TYR 31 5.824 4.434 -12.355 216 H ARG 32 H ARG 32 11.614 6.267 -6.686 217 HA ARG 32 HA ARG 32 10.325 8.489 -7.827 218 HB2 ARG 32 HB2 ARG 32 12.165 8.352 -5.411 219 HB3 ARG 32 HB3 ARG 32 11.190 9.753 -5.899 220 HG2 ARG 32 HG2 ARG 32 9.133 8.295 -5.756 221 HG3 ARG 32 HG3 ARG 32 10.163 7.019 -5.060 222 HD2 ARG 32 HD2 ARG 32 10.874 8.682 -3.290 223 HD3 ARG 32 HD3 ARG 32 9.678 9.813 -3.942 224 HE ARG 32 HE ARG 32 8.256 7.479 -3.478 225 HH11 ARG 32 2HH1 ARG 32 10.262 9.657 -1.529 226 HH12 ARG 32 1HH1 ARG 32 9.406 9.317 -0.041 227 HH21 ARG 32 2HH2 ARG 32 7.147 7.038 -1.516 228 HH22 ARG 32 1HH2 ARG 32 7.638 7.828 -0.034 229 H ASN 33 H ASN 33 13.810 7.713 -7.328 230 HA ASN 33 HA ASN 33 14.716 10.255 -8.243 231 HB2 ASN 33 HB2 ASN 33 16.183 7.651 -7.815 232 HB3 ASN 33 HB3 ASN 33 16.939 9.184 -8.305 233 HD21 ASN 33 1HD2 ASN 33 16.190 7.289 -5.636 234 HD22 ASN 33 2HD2 ASN 33 16.202 8.528 -4.401 235 H GLY 34 H GLY 34 15.878 10.842 -10.040 236 HA2 GLY 34 HA2 GLY 34 16.615 10.597 -12.208 237 HA3 GLY 34 HA3 GLY 34 15.677 9.103 -12.373 238 H PHE 35 H PHE 35 13.770 11.515 -10.829 239 HA PHE 35 HA PHE 35 12.457 12.150 -13.377 240 HB2 PHE 35 HB2 PHE 35 11.289 11.879 -10.636 241 HB3 PHE 35 HB3 PHE 35 10.509 12.787 -11.951 242 HD1 PHE 35 HD1 PHE 35 11.848 9.416 -11.029 243 HD2 PHE 35 HD2 PHE 35 9.525 11.712 -13.826 244 HE1 PHE 35 HE1 PHE 35 11.092 7.324 -12.127 245 HE2 PHE 35 HE2 PHE 35 8.767 9.617 -14.915 246 HZ PHE 35 HZ PHE 35 9.548 7.423 -14.060 247 H TYR 36 H TYR 36 11.792 14.189 -13.828 248 HA TYR 36 HA TYR 36 13.711 16.139 -13.379 249 HB2 TYR 36 HB2 TYR 36 12.337 16.030 -15.393 250 HB3 TYR 36 HB3 TYR 36 10.859 16.232 -14.446 251 HD1 TYR 36 HD1 TYR 36 14.009 17.966 -15.456 252 HD2 TYR 36 HD2 TYR 36 10.017 18.367 -13.909 253 HE1 TYR 36 HE1 TYR 36 14.160 20.427 -15.717 254 HE2 TYR 36 HE2 TYR 36 10.158 20.829 -14.162 255 HH TYR 36 HH TYR 36 13.090 22.442 -15.455 256 H LEU 37 H LEU 37 10.350 16.002 -11.809 257 HA LEU 37 HA LEU 37 11.700 17.751 -9.869 258 HB2 LEU 37 HB2 LEU 37 10.669 19.308 -11.397 259 HB3 LEU 37 HB3 LEU 37 9.111 18.488 -11.223 260 HG LEU 37 HG LEU 37 9.019 19.091 -8.854 261 HD11 LEU 37 1HD1 LEU 37 11.662 20.520 -9.411 262 HD12 LEU 37 2HD1 LEU 37 10.679 20.731 -7.943 263 HD13 LEU 37 3HD1 LEU 37 11.420 19.157 -8.292 264 HD21 LEU 37 3HD2 LEU 37 9.735 21.486 -10.600 265 HD22 LEU 37 1HD2 LEU 37 8.223 20.571 -10.737 266 HD23 LEU 37 2HD2 LEU 37 8.594 21.456 -9.233 267 H LEU 38 H LEU 38 11.462 17.125 -7.948 268 HA LEU 38 HA LEU 38 9.937 14.882 -7.193 269 HB2 LEU 38 HB2 LEU 38 11.380 16.975 -5.552 270 HB3 LEU 38 HB3 LEU 38 10.614 15.522 -4.890 271 HG LEU 38 HG LEU 38 12.858 15.514 -6.950 272 HD11 LEU 38 1HD1 LEU 38 12.846 14.905 -3.959 273 HD12 LEU 38 2HD1 LEU 38 14.239 14.726 -5.052 274 HD13 LEU 38 3HD1 LEU 38 13.569 16.340 -4.725 275 HD21 LEU 38 3HD2 LEU 38 11.520 13.276 -5.359 276 HD22 LEU 38 1HD2 LEU 38 11.438 13.506 -7.123 277 HD23 LEU 38 2HD2 LEU 38 12.979 13.087 -6.355 278 H LYS 39 H LYS 39 9.485 18.383 -6.910 279 HA LYS 39 HA LYS 39 7.353 18.474 -5.130 280 HB2 LYS 39 HB2 LYS 39 8.126 20.356 -7.399 281 HB3 LYS 39 HB3 LYS 39 6.993 20.724 -6.093 282 HG2 LYS 39 HG2 LYS 39 8.797 20.427 -4.424 283 HG3 LYS 39 HG3 LYS 39 9.949 20.080 -5.738 284 HD2 LYS 39 HD2 LYS 39 9.482 22.302 -6.732 285 HD3 LYS 39 HD3 LYS 39 8.326 22.646 -5.427 286 HE2 LYS 39 HE2 LYS 39 10.134 22.447 -3.761 287 HE3 LYS 39 HE3 LYS 39 11.294 22.085 -5.056 288 HZ1 LYS 39 HZ1 LYS 39 10.829 24.231 -5.988 289 HZ2 LYS 39 HZ2 LYS 39 11.355 24.382 -4.432 290 HZ3 LYS 39 HZ3 LYS 39 9.754 24.569 -4.784 291 H TYR 40 H TYR 40 7.365 17.521 -8.588 292 HA TYR 40 HA TYR 40 4.723 18.329 -9.188 293 HB2 TYR 40 HB2 TYR 40 6.292 17.746 -10.964 294 HB3 TYR 40 HB3 TYR 40 6.378 16.080 -10.369 295 HD1 TYR 40 HD1 TYR 40 4.019 18.641 -11.706 296 HD2 TYR 40 HD2 TYR 40 4.804 14.467 -11.069 297 HE1 TYR 40 HE1 TYR 40 2.021 18.068 -13.060 298 HE2 TYR 40 HE2 TYR 40 2.832 13.876 -12.453 299 HH TYR 40 HH TYR 40 0.747 16.388 -13.952 300 H ASP 41 H ASP 41 2.781 17.506 -8.636 301 HA ASP 41 HA ASP 41 2.838 15.309 -6.735 302 HB2 ASP 41 HB2 ASP 41 1.532 17.301 -6.145 303 HB3 ASP 41 HB3 ASP 41 0.518 17.064 -7.584 304 H GLU 42 H GLU 42 2.525 13.373 -7.157 305 HA GLU 42 HA GLU 42 0.642 12.459 -9.134 306 HB2 GLU 42 HB2 GLU 42 2.136 10.924 -10.219 307 HB3 GLU 42 HB3 GLU 42 2.536 12.612 -10.552 308 HG2 GLU 42 HG2 GLU 42 4.364 12.491 -8.859 309 HG3 GLU 42 HG3 GLU 42 4.012 10.757 -8.651 310 H GLU 43 H GLU 43 1.353 9.690 -8.845 311 HA GLU 43 HA GLU 43 0.093 9.172 -6.395 312 HB2 GLU 43 HB2 GLU 43 -0.082 7.731 -8.359 313 HB3 GLU 43 HB3 GLU 43 1.630 7.288 -8.194 314 HG2 GLU 43 HG2 GLU 43 1.211 6.277 -6.018 315 HG3 GLU 43 HG3 GLU 43 -0.456 6.887 -6.012 316 H TRP 44 H TRP 44 3.679 9.036 -7.184 317 HA TRP 44 HA TRP 44 4.202 7.927 -4.588 318 HB2 TRP 44 HB2 TRP 44 6.464 8.298 -4.784 319 HB3 TRP 44 HB3 TRP 44 5.880 7.604 -6.281 320 HD1 TRP 44 HD1 TRP 44 7.084 11.011 -4.915 321 HE1 TRP 44 HE1 TRP 44 8.348 12.215 -6.768 322 HE3 TRP 44 HE3 TRP 44 6.155 7.749 -8.713 323 HZ2 TRP 44 HZ2 TRP 44 8.950 11.768 -9.580 324 HZ3 TRP 44 HZ3 TRP 44 7.082 8.151 -10.968 325 HH2 TRP 44 HH2 TRP 44 8.460 10.153 -11.412 326 H TYR 45 H TYR 45 5.349 8.918 -2.830 327 HA TYR 45 HA TYR 45 4.141 11.398 -2.086 328 HB2 TYR 45 HB2 TYR 45 6.382 9.817 -0.741 329 HB3 TYR 45 HB3 TYR 45 5.543 11.206 -0.046 330 HD1 TYR 45 HD1 TYR 45 5.208 7.647 -1.024 331 HD2 TYR 45 HD2 TYR 45 3.313 11.018 0.856 332 HE1 TYR 45 HE1 TYR 45 3.481 6.142 -0.082 333 HE2 TYR 45 HE2 TYR 45 1.570 9.523 1.792 334 HH TYR 45 HH TYR 45 1.577 5.985 1.189 335 HA PRO 46 HA PRO 46 7.410 13.808 -4.031 336 HB2 PRO 46 HB2 PRO 46 6.748 16.275 -3.006 337 HB3 PRO 46 HB3 PRO 46 5.848 15.473 -4.339 338 HG2 PRO 46 HG2 PRO 46 5.198 15.467 -1.381 339 HG3 PRO 46 HG3 PRO 46 4.091 15.807 -2.755 340 HD2 PRO 46 HD2 PRO 46 4.200 13.362 -1.581 341 HD3 PRO 46 HD3 PRO 46 4.017 13.511 -3.358 342 H GLU 47 H GLU 47 6.853 13.856 -0.485 343 HA GLU 47 HA GLU 47 9.437 14.998 0.023 344 HB2 GLU 47 HB2 GLU 47 7.571 15.250 1.660 345 HB3 GLU 47 HB3 GLU 47 7.573 13.491 1.908 346 HG2 GLU 47 HG2 GLU 47 9.934 13.600 2.655 347 HG3 GLU 47 HG3 GLU 47 9.946 15.349 2.374 348 H GLU 48 H GLU 48 11.324 13.831 0.033 349 HA GLU 48 HA GLU 48 11.108 10.931 -0.278 350 HB2 GLU 48 HB2 GLU 48 13.351 12.847 -0.792 351 HB3 GLU 48 HB3 GLU 48 13.565 11.084 -0.775 352 HG2 GLU 48 HG2 GLU 48 11.834 10.923 -2.574 353 HG3 GLU 48 HG3 GLU 48 11.759 12.699 -2.621 354 H LEU 49 H LEU 49 11.680 9.542 1.197 355 HA LEU 49 HA LEU 49 12.111 10.258 3.865 356 HB2 LEU 49 HB2 LEU 49 12.708 7.616 2.475 357 HB3 LEU 49 HB3 LEU 49 12.452 7.868 4.212 358 HG LEU 49 HG LEU 49 10.385 8.335 2.014 359 HD11 LEU 49 1HD1 LEU 49 10.618 6.172 4.146 360 HD12 LEU 49 2HD1 LEU 49 9.276 6.361 2.992 361 HD13 LEU 49 3HD1 LEU 49 10.904 5.954 2.402 362 HD21 LEU 49 3HD2 LEU 49 10.166 8.495 5.053 363 HD22 LEU 49 1HD2 LEU 49 10.030 9.858 3.915 364 HD23 LEU 49 2HD2 LEU 49 8.798 8.580 3.917 365 H LEU 50 H LEU 50 14.404 9.038 1.346 366 HA LEU 50 HA LEU 50 16.612 8.839 3.096 367 HB2 LEU 50 HB2 LEU 50 16.555 9.152 0.089 368 HB3 LEU 50 HB3 LEU 50 17.965 8.707 1.068 369 HG LEU 50 HG LEU 50 15.369 7.111 0.913 370 HD11 LEU 50 1HD1 LEU 50 18.118 6.600 -0.301 371 HD12 LEU 50 2HD1 LEU 50 16.709 5.517 -0.405 372 HD13 LEU 50 3HD1 LEU 50 16.670 7.108 -1.199 373 HD21 LEU 50 3HD2 LEU 50 18.059 6.507 2.217 374 HD22 LEU 50 1HD2 LEU 50 16.517 6.785 3.063 375 HD23 LEU 50 2HD2 LEU 50 16.721 5.349 2.042 376 H THR 51 H THR 51 15.541 11.527 0.922 377 HA THR 51 HA THR 51 17.893 13.031 1.730 378 HB THR 51 HB THR 51 16.992 14.738 0.220 379 HG1 THR 51 HG1 THR 51 15.294 14.095 -1.131 380 HG21 THR 51 1HG2 THR 51 17.218 11.945 -0.978 381 HG22 THR 51 2HG2 THR 51 17.479 13.481 -1.836 382 HG23 THR 51 3HG2 THR 51 18.595 12.984 -0.542 383 H ASP 52 H ASP 52 17.430 13.088 4.073 384 HA ASP 52 HA ASP 52 15.019 14.638 4.689 385 HB2 ASP 52 HB2 ASP 52 15.398 12.724 6.142 386 HB3 ASP 52 HB3 ASP 52 17.001 13.343 6.576 387 H GLY 53 H GLY 53 15.187 16.676 4.379 388 HA2 GLY 53 HA2 GLY 53 15.735 18.784 4.938 389 HA3 GLY 53 HA3 GLY 53 17.275 18.230 5.610 390 H GLU 54 H GLU 54 17.522 16.637 2.788 391 HA GLU 54 HA GLU 54 19.143 18.656 1.592 392 HB2 GLU 54 HB2 GLU 54 18.287 15.998 0.467 393 HB3 GLU 54 HB3 GLU 54 19.543 17.067 -0.173 394 HG2 GLU 54 HG2 GLU 54 20.812 16.856 1.932 395 HG3 GLU 54 HG3 GLU 54 19.544 15.814 2.604 396 H ASP 55 H ASP 55 15.893 17.281 0.807 397 HA ASP 55 HA ASP 55 15.540 18.692 -1.591 398 HB2 ASP 55 HB2 ASP 55 13.507 17.660 0.424 399 HB3 ASP 55 HB3 ASP 55 13.100 18.347 -1.156 400 H ASP 56 H ASP 56 14.736 19.368 1.828 401 HA ASP 56 HA ASP 56 13.942 21.079 2.979 402 HB2 ASP 56 HB2 ASP 56 16.261 21.786 2.574 403 HB3 ASP 56 HB3 ASP 56 15.717 22.708 1.161 404 H VAL 57 H VAL 57 12.037 20.183 1.187 405 HA VAL 57 HA VAL 57 10.868 22.651 0.107 406 HB VAL 57 HB VAL 57 10.020 19.746 -0.217 407 HG11 VAL 57 1HG1 VAL 57 8.983 22.322 -1.481 408 HG12 VAL 57 2HG1 VAL 57 8.477 20.676 -1.927 409 HG13 VAL 57 3HG1 VAL 57 8.108 21.309 -0.309 410 HG21 VAL 57 3HG2 VAL 57 11.335 21.708 -2.144 411 HG22 VAL 57 1HG2 VAL 57 12.120 20.297 -1.404 412 HG23 VAL 57 2HG2 VAL 57 10.780 20.068 -2.552 413 H PHE 58 H PHE 58 10.331 19.711 2.143 414 HA PHE 58 HA PHE 58 7.842 20.561 3.207 415 HB2 PHE 58 HB2 PHE 58 9.544 18.192 3.685 416 HB3 PHE 58 HB3 PHE 58 8.146 18.610 4.705 417 HD1 PHE 58 HD1 PHE 58 9.188 17.885 1.196 418 HD2 PHE 58 HD2 PHE 58 5.901 18.553 3.887 419 HE1 PHE 58 HE1 PHE 58 7.589 17.250 -0.593 420 HE2 PHE 58 HE2 PHE 58 4.305 17.915 2.100 421 HZ PHE 58 HZ PHE 58 5.149 17.276 -0.143 422 H ASP 59 H ASP 59 11.112 21.093 4.520 423 HA ASP 59 HA ASP 59 10.106 21.800 7.070 424 HB2 ASP 59 HB2 ASP 59 12.637 22.800 5.759 425 HB3 ASP 59 HB3 ASP 59 12.206 22.895 7.479 426 HA PRO 60 HA PRO 60 9.538 26.210 5.660 427 HB2 PRO 60 HB2 PRO 60 9.619 27.089 3.086 428 HB3 PRO 60 HB3 PRO 60 11.098 26.927 4.102 429 HG2 PRO 60 HG2 PRO 60 9.971 24.930 2.111 430 HG3 PRO 60 HG3 PRO 60 11.659 25.525 2.228 431 HD2 PRO 60 HD2 PRO 60 10.903 23.155 3.348 432 HD3 PRO 60 HD3 PRO 60 12.070 24.232 4.170 433 H ASP 61 H ASP 61 8.154 23.582 3.785 434 HA ASP 61 HA ASP 61 6.117 23.076 3.070 435 HB2 ASP 61 HB2 ASP 61 5.734 23.093 5.510 436 HB3 ASP 61 HB3 ASP 61 5.093 24.740 5.359 437 H LEU 62 H LEU 62 7.288 24.963 1.498 438 HA LEU 62 HA LEU 62 5.045 26.741 0.819 439 HB2 LEU 62 HB2 LEU 62 7.166 27.959 1.116 440 HB3 LEU 62 HB3 LEU 62 7.987 26.838 0.016 441 HG LEU 62 HG LEU 62 6.465 27.561 -1.828 442 HD11 LEU 62 1HD1 LEU 62 5.520 29.596 0.238 443 HD12 LEU 62 2HD1 LEU 62 5.136 29.638 -1.499 444 HD13 LEU 62 3HD1 LEU 62 4.534 28.306 -0.494 445 HD21 LEU 62 3HD2 LEU 62 7.962 29.806 -0.418 446 HD22 LEU 62 1HD2 LEU 62 8.677 28.601 -1.515 447 HD23 LEU 62 2HD2 LEU 62 7.499 29.778 -2.136 448 H ASP 63 H ASP 63 3.830 25.937 -0.897 449 HA ASP 63 HA ASP 63 5.198 24.033 -2.686 450 HB2 ASP 63 HB2 ASP 63 3.401 22.860 -1.535 451 HB3 ASP 63 HB3 ASP 63 2.263 24.173 -1.884 452 H MET 64 H MET 64 5.392 24.907 -4.751 453 HA MET 64 HA MET 64 3.739 27.273 -5.350 454 HB2 MET 64 HB2 MET 64 6.527 26.594 -6.336 455 HB3 MET 64 HB3 MET 64 5.514 27.910 -6.970 456 HG2 MET 64 HG2 MET 64 5.459 28.995 -4.810 457 HG3 MET 64 HG3 MET 64 6.277 27.631 -4.040 458 HE1 MET 64 HE1 MET 64 8.603 26.769 -5.715 459 HE2 MET 64 HE2 MET 64 9.916 27.839 -5.169 460 HE3 MET 64 HE3 MET 64 8.753 27.184 -3.992 461 H GLU 65 H GLU 65 2.230 26.770 -6.752 462 HA GLU 65 HA GLU 65 1.969 24.344 -8.100 463 HB2 GLU 65 HB2 GLU 65 0.616 27.012 -8.634 464 HB3 GLU 65 HB3 GLU 65 0.132 25.439 -9.311 465 HG2 GLU 65 HG2 GLU 65 -0.181 24.559 -7.006 466 HG3 GLU 65 HG3 GLU 65 0.226 26.159 -6.352 467 H VAL 66 H VAL 66 3.097 27.545 -9.240 468 HA VAL 66 HA VAL 66 3.163 26.964 -11.977 469 HB VAL 66 HB VAL 66 4.834 28.911 -10.365 470 HG11 VAL 66 1HG1 VAL 66 4.179 28.747 -13.339 471 HG12 VAL 66 2HG1 VAL 66 5.027 30.094 -12.543 472 HG13 VAL 66 3HG1 VAL 66 5.778 28.486 -12.601 473 HG21 VAL 66 3HG2 VAL 66 2.187 29.225 -11.847 474 HG22 VAL 66 1HG2 VAL 66 2.407 29.265 -10.081 475 HG23 VAL 66 2HG2 VAL 66 3.112 30.544 -11.094 476 H VAL 67 H VAL 67 5.664 26.569 -9.379 477 HA VAL 67 HA VAL 67 7.766 25.846 -11.113 478 HB VAL 67 HB VAL 67 7.304 25.190 -8.201 479 HG11 VAL 67 1HG1 VAL 67 9.810 25.027 -9.927 480 HG12 VAL 67 2HG1 VAL 67 9.754 24.816 -8.160 481 HG13 VAL 67 3HG1 VAL 67 8.933 23.651 -9.218 482 HG21 VAL 67 3HG2 VAL 67 8.884 27.382 -9.613 483 HG22 VAL 67 1HG2 VAL 67 7.394 27.606 -8.667 484 HG23 VAL 67 2HG2 VAL 67 8.887 27.079 -7.862 485 H PHE 68 H PHE 68 5.345 23.753 -9.283 486 HA PHE 68 HA PHE 68 6.525 21.411 -10.463 487 HB2 PHE 68 HB2 PHE 68 5.196 20.061 -9.444 488 HB3 PHE 68 HB3 PHE 68 5.523 21.304 -8.261 489 HD1 PHE 68 HD1 PHE 68 2.942 19.762 -10.404 490 HD2 PHE 68 HD2 PHE 68 3.751 22.593 -7.274 491 HE1 PHE 68 HE1 PHE 68 0.535 19.806 -9.826 492 HE2 PHE 68 HE2 PHE 68 1.343 22.637 -6.694 493 HZ PHE 68 HZ PHE 68 -0.269 21.246 -7.970 494 H GLU 69 H GLU 69 3.746 23.366 -11.494 495 HA GLU 69 HA GLU 69 3.111 21.408 -13.500 496 HB2 GLU 69 HB2 GLU 69 2.084 24.225 -13.094 497 HB3 GLU 69 HB3 GLU 69 1.436 23.032 -14.240 498 HG2 GLU 69 HG2 GLU 69 0.814 21.545 -12.405 499 HG3 GLU 69 HG3 GLU 69 1.574 22.624 -11.224 500 H THR 70 H THR 70 5.225 21.267 -14.384 501 HA THR 70 HA THR 70 6.481 23.308 -15.863 502 HB THR 70 HB THR 70 6.582 20.285 -16.114 503 HG1 THR 70 HG1 THR 70 7.062 21.078 -14.023 504 HG21 THR 70 1HG2 THR 70 8.549 22.474 -16.917 505 HG22 THR 70 2HG2 THR 70 8.847 20.724 -17.024 506 HG23 THR 70 3HG2 THR 70 7.591 21.473 -18.034 507 H GLN 71 H GLN 71 4.056 20.746 -16.537 508 HA GLN 71 HA GLN 71 3.884 21.302 -19.352 509 HB2 GLN 71 HB2 GLN 71 1.892 19.816 -19.266 510 HB3 GLN 71 HB3 GLN 71 3.397 19.051 -18.756 511 HG2 GLN 71 HG2 GLN 71 1.342 20.160 -16.802 512 HG3 GLN 71 HG3 GLN 71 1.354 18.490 -17.378 513 HE21 GLN 71 1HE2 GLN 71 3.889 17.643 -17.366 514 HE22 GLN 71 2HE2 GLN 71 4.599 17.763 -15.771 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -13.086 -10.524 -15.234 2 H2 GLY 1 H2 GLY 1 -12.909 -9.462 -13.923 3 H3 GLY 1 H3 GLY 1 -11.761 -9.475 -15.172 4 HA2 GLY 1 HA3 GLY 1 -11.144 -10.625 -13.019 5 HA3 GLY 1 HA2 GLY 1 -12.290 -11.877 -13.556 6 H SER 2 H SER 2 -9.260 -11.690 -13.198 7 HA SER 2 HA SER 2 -8.557 -12.747 -15.849 8 HB2 SER 2 HB2 SER 2 -6.291 -11.877 -15.589 9 HB3 SER 2 HB3 SER 2 -7.467 -10.542 -15.598 10 HG SER 2 HG SER 2 -5.919 -10.356 -13.913 11 H THR 3 H THR 3 -6.996 -14.464 -15.782 12 HA THR 3 HA THR 3 -7.207 -16.019 -13.347 13 HB THR 3 HB THR 3 -5.841 -16.686 -15.945 14 HG1 THR 3 HG1 THR 3 -7.752 -17.930 -16.203 15 HG21 THR 3 1HG2 THR 3 -6.661 -18.371 -13.542 16 HG22 THR 3 2HG2 THR 3 -5.955 -18.987 -15.056 17 HG23 THR 3 3HG2 THR 3 -4.993 -17.938 -13.988 18 H ALA 4 H ALA 4 -6.112 -14.580 -11.994 19 HA ALA 4 HA ALA 4 -3.216 -14.350 -12.415 20 HB1 ALA 4 HB1 ALA 4 -5.047 -12.739 -10.578 21 HB2 ALA 4 HB2 ALA 4 -3.285 -12.547 -10.737 22 HB3 ALA 4 HB3 ALA 4 -4.350 -12.154 -12.107 23 H MET 5 H MET 5 -1.956 -15.229 -10.697 24 HA MET 5 HA MET 5 -3.115 -17.321 -9.210 25 HB2 MET 5 HB2 MET 5 -0.999 -17.669 -8.226 26 HB3 MET 5 HB3 MET 5 -0.678 -17.168 -9.903 27 HG2 MET 5 HG2 MET 5 -0.534 -15.364 -7.460 28 HG3 MET 5 HG3 MET 5 0.854 -16.077 -8.315 29 HE1 MET 5 HE1 MET 5 1.978 -13.750 -8.343 30 HE2 MET 5 HE2 MET 5 1.205 -12.279 -8.981 31 HE3 MET 5 HE3 MET 5 0.570 -13.052 -7.509 32 H ALA 6 H ALA 6 -4.022 -17.475 -7.388 33 HA ALA 6 HA ALA 6 -5.118 -17.006 -5.526 34 HB1 ALA 6 HB1 ALA 6 -2.713 -15.270 -4.924 35 HB2 ALA 6 HB2 ALA 6 -3.950 -15.798 -3.759 36 HB3 ALA 6 HB3 ALA 6 -2.898 -16.999 -4.544 37 H THR 7 H THR 7 -5.704 -15.334 -7.924 38 HA THR 7 HA THR 7 -6.874 -13.588 -8.582 39 HB THR 7 HB THR 7 -8.836 -13.033 -7.392 40 HG1 THR 7 HG1 THR 7 -7.943 -13.093 -5.285 41 HG21 THR 7 1HG2 THR 7 -8.158 -16.001 -7.293 42 HG22 THR 7 2HG2 THR 7 -9.797 -15.305 -7.303 43 HG23 THR 7 3HG2 THR 7 -8.740 -15.112 -8.721 44 H THR 8 H THR 8 -4.353 -12.798 -7.818 45 HA THR 8 HA THR 8 -4.470 -10.523 -6.096 46 HB THR 8 HB THR 8 -2.402 -11.343 -8.139 47 HG1 THR 8 HG1 THR 8 -2.785 -12.842 -6.435 48 HG21 THR 8 1HG2 THR 8 -2.275 -9.410 -5.793 49 HG22 THR 8 2HG2 THR 8 -0.909 -9.889 -6.829 50 HG23 THR 8 3HG2 THR 8 -2.264 -8.961 -7.515 51 H MET 9 H MET 9 -4.719 -8.349 -6.641 52 HA MET 9 HA MET 9 -6.117 -7.858 -9.112 53 HB2 MET 9 HB2 MET 9 -6.630 -6.726 -6.854 54 HB3 MET 9 HB3 MET 9 -5.194 -5.727 -7.184 55 HG2 MET 9 HG2 MET 9 -7.164 -4.581 -8.067 56 HG3 MET 9 HG3 MET 9 -6.177 -5.157 -9.431 57 HE1 MET 9 HE1 MET 9 -8.064 -4.867 -11.163 58 HE2 MET 9 HE2 MET 9 -9.730 -5.450 -10.937 59 HE3 MET 9 HE3 MET 9 -9.085 -4.169 -9.883 60 H GLU 10 H GLU 10 -5.249 -7.043 -10.912 61 HA GLU 10 HA GLU 10 -2.470 -7.104 -11.353 62 HB2 GLU 10 HB2 GLU 10 -4.656 -5.953 -13.094 63 HB3 GLU 10 HB3 GLU 10 -2.992 -6.349 -13.582 64 HG2 GLU 10 HG2 GLU 10 -3.401 -8.727 -12.975 65 HG3 GLU 10 HG3 GLU 10 -5.080 -8.313 -12.553 66 H GLN 11 H GLN 11 -4.594 -4.181 -10.873 67 HA GLN 11 HA GLN 11 -2.405 -2.527 -11.749 68 HB2 GLN 11 HB2 GLN 11 -3.520 -0.583 -10.889 69 HB3 GLN 11 HB3 GLN 11 -4.554 -1.525 -11.990 70 HG2 GLN 11 HG2 GLN 11 -4.786 -2.178 -9.096 71 HG3 GLN 11 HG3 GLN 11 -5.392 -0.582 -9.598 72 HE21 GLN 11 1HE2 GLN 11 -7.563 -0.845 -9.498 73 HE22 GLN 11 2HE2 GLN 11 -8.452 -2.050 -10.401 74 H GLU 12 H GLU 12 -1.305 -0.949 -10.638 75 HA GLU 12 HA GLU 12 -0.116 -1.989 -8.238 76 HB2 GLU 12 HB2 GLU 12 0.512 0.556 -9.767 77 HB3 GLU 12 HB3 GLU 12 1.515 -0.242 -8.531 78 HG2 GLU 12 HG2 GLU 12 1.639 -2.242 -10.064 79 HG3 GLU 12 HG3 GLU 12 0.856 -1.243 -11.312 80 H ILE 13 H ILE 13 -1.776 -1.922 -6.776 81 HA ILE 13 HA ILE 13 -3.069 0.575 -6.079 82 HB ILE 13 HB ILE 13 -4.337 -0.693 -4.494 83 HG12 ILE 13 2HG1 ILE 13 -4.291 -3.211 -4.689 84 HG13 ILE 13 3HG1 ILE 13 -2.693 -3.049 -5.455 85 HG21 ILE 13 1HG2 ILE 13 -4.152 -1.914 -7.286 86 HG22 ILE 13 2HG2 ILE 13 -5.558 -2.020 -6.202 87 HG23 ILE 13 3HG2 ILE 13 -5.056 -0.443 -6.857 88 HD11 ILE 13 3HD1 ILE 13 -1.840 -1.925 -3.440 89 HD12 ILE 13 1HD1 ILE 13 -3.438 -2.087 -2.673 90 HD13 ILE 13 2HD1 ILE 13 -2.488 -3.540 -3.067 91 H CYS 14 H CYS 14 -0.077 -0.657 -4.909 92 HA CYS 14 HA CYS 14 -0.457 0.045 -2.189 93 HB2 CYS 14 HB2 CYS 14 1.466 -1.333 -2.908 94 HB3 CYS 14 HB3 CYS 14 2.186 0.129 -3.623 95 H ALA 15 H ALA 15 0.140 1.851 -1.056 96 HA ALA 15 HA ALA 15 -0.778 4.276 -2.099 97 HB1 ALA 15 HB1 ALA 15 0.913 3.734 0.371 98 HB2 ALA 15 HB2 ALA 15 0.025 5.235 0.017 99 HB3 ALA 15 HB3 ALA 15 -0.865 3.721 0.300 100 H HIS 16 H HIS 16 2.587 3.089 -1.529 101 HA HIS 16 HA HIS 16 3.838 5.532 -2.121 102 HB2 HIS 16 HB2 HIS 16 4.846 2.696 -2.302 103 HB3 HIS 16 HB3 HIS 16 5.844 4.144 -2.572 104 HD2 HIS 16 HD2 HIS 16 7.079 5.101 -0.407 105 HE1 HIS 16 HE1 HIS 16 4.658 3.216 2.511 106 H SER 17 H SER 17 2.879 2.792 -4.328 107 HA SER 17 HA SER 17 2.398 4.212 -6.569 108 HB2 SER 17 HB2 SER 17 4.376 3.931 -8.033 109 HB3 SER 17 HB3 SER 17 4.633 5.149 -6.760 110 HG SER 17 HG SER 17 6.399 3.715 -6.990 111 H MET 18 H MET 18 4.487 1.408 -5.631 112 HA MET 18 HA MET 18 3.562 -0.156 -7.856 113 HB2 MET 18 HB2 MET 18 5.322 -0.992 -5.559 114 HB3 MET 18 HB3 MET 18 5.106 -1.803 -7.129 115 HG2 MET 18 HG2 MET 18 6.028 0.237 -8.239 116 HG3 MET 18 HG3 MET 18 6.370 0.906 -6.626 117 HE1 MET 18 HE1 MET 18 8.858 1.270 -7.378 118 HE2 MET 18 HE2 MET 18 9.897 -0.016 -8.036 119 HE3 MET 18 HE3 MET 18 8.494 0.560 -8.967 120 H THR 19 H THR 19 3.399 -2.657 -7.250 121 HA THR 19 HA THR 19 0.653 -2.909 -6.455 122 HB THR 19 HB THR 19 2.753 -4.970 -7.249 123 HG1 THR 19 HG1 THR 19 2.268 -3.383 -8.847 124 HG21 THR 19 1HG2 THR 19 -0.282 -5.145 -7.206 125 HG22 THR 19 2HG2 THR 19 0.834 -6.393 -7.809 126 HG23 THR 19 3HG2 THR 19 0.823 -5.969 -6.080 127 H PHE 20 H PHE 20 0.041 -4.674 -4.852 128 HA PHE 20 HA PHE 20 0.985 -4.206 -2.283 129 HB2 PHE 20 HB2 PHE 20 -1.300 -5.019 -2.914 130 HB3 PHE 20 HB3 PHE 20 -0.594 -6.523 -3.555 131 HD1 PHE 20 HD2 PHE 20 -1.268 -4.564 -0.478 132 HD2 PHE 20 HD1 PHE 20 0.025 -8.321 -2.119 133 HE1 PHE 20 HE2 PHE 20 -1.455 -5.609 1.763 134 HE2 PHE 20 HE1 PHE 20 -0.162 -9.366 0.121 135 HZ PHE 20 HZ PHE 20 -0.902 -8.009 2.065 136 H GLU 21 H GLU 21 1.617 -6.787 -4.722 137 HA GLU 21 HA GLU 21 3.259 -8.462 -3.181 138 HB2 GLU 21 HB2 GLU 21 2.032 -9.057 -5.297 139 HB3 GLU 21 HB3 GLU 21 3.151 -8.007 -6.198 140 HG2 GLU 21 HG2 GLU 21 5.042 -9.389 -5.564 141 HG3 GLU 21 HG3 GLU 21 4.013 -10.375 -4.497 142 H GLU 22 H GLU 22 3.872 -5.589 -5.226 143 HA GLU 22 HA GLU 22 6.755 -5.772 -4.972 144 HB2 GLU 22 HB2 GLU 22 4.951 -3.837 -6.478 145 HB3 GLU 22 HB3 GLU 22 6.729 -3.863 -6.530 146 HG2 GLU 22 HG2 GLU 22 4.938 -6.170 -7.371 147 HG3 GLU 22 HG3 GLU 22 5.677 -4.993 -8.482 148 H CYS 23 H CYS 23 4.517 -4.855 -2.792 149 HA CYS 23 HA CYS 23 5.014 -2.236 -2.135 150 HB2 CYS 23 HB2 CYS 23 3.204 -3.586 -1.140 151 HB3 CYS 23 HB3 CYS 23 4.422 -4.457 -0.176 152 HG CYS 23 HG CYS 23 3.218 -2.680 1.306 153 HA PRO 24 HA PRO 24 8.635 -3.433 0.710 154 HB2 PRO 24 HB2 PRO 24 10.390 -5.348 -0.086 155 HB3 PRO 24 HB3 PRO 24 9.082 -5.632 1.087 156 HG2 PRO 24 HG2 PRO 24 9.132 -6.225 -1.906 157 HG3 PRO 24 HG3 PRO 24 8.514 -7.252 -0.589 158 HD2 PRO 24 HD2 PRO 24 6.823 -5.732 -2.105 159 HD3 PRO 24 HD3 PRO 24 6.520 -6.015 -0.375 160 H LYS 25 H LYS 25 8.844 -3.768 -2.862 161 HA LYS 25 HA LYS 25 11.324 -2.393 -3.110 162 HB2 LYS 25 HB2 LYS 25 9.171 -2.750 -5.187 163 HB3 LYS 25 HB3 LYS 25 10.827 -2.151 -5.446 164 HG2 LYS 25 HG2 LYS 25 11.683 -4.327 -4.494 165 HG3 LYS 25 HG3 LYS 25 10.003 -4.914 -4.464 166 HD2 LYS 25 HD2 LYS 25 11.074 -5.689 -6.510 167 HD3 LYS 25 HD3 LYS 25 9.857 -4.459 -6.930 168 HE2 LYS 25 HE2 LYS 25 11.936 -4.106 -8.195 169 HE3 LYS 25 HE3 LYS 25 11.643 -2.753 -7.077 170 HZ1 LYS 25 HZ1 LYS 25 13.456 -5.004 -6.601 171 HZ2 LYS 25 HZ2 LYS 25 13.901 -3.476 -7.036 172 HZ3 LYS 25 HZ3 LYS 25 13.189 -3.742 -5.572 173 H CYS 26 H CYS 26 8.025 -1.290 -2.509 174 HA CYS 26 HA CYS 26 8.140 1.252 -3.658 175 HB2 CYS 26 HB2 CYS 26 6.604 0.155 -1.288 176 HB3 CYS 26 HB3 CYS 26 6.393 1.793 -1.951 177 HG CYS 26 HG CYS 26 4.432 0.282 -2.669 178 H SER 27 H SER 27 9.357 -0.098 -0.571 179 HA SER 27 HA SER 27 9.829 2.292 0.820 180 HB2 SER 27 HB2 SER 27 11.301 -0.360 0.975 181 HB3 SER 27 HB3 SER 27 11.377 0.961 2.165 182 HG SER 27 HG SER 27 9.855 -0.656 2.731 183 H ALA 28 H ALA 28 11.740 0.450 -1.623 184 HA ALA 28 HA ALA 28 14.149 1.929 -1.295 185 HB1 ALA 28 HB1 ALA 28 13.129 0.408 -3.720 186 HB2 ALA 28 HB2 ALA 28 14.780 1.027 -3.480 187 HB3 ALA 28 HB3 ALA 28 14.150 -0.260 -2.425 188 H LEU 29 H LEU 29 14.751 3.841 -2.346 189 HA LEU 29 HA LEU 29 12.588 5.345 -3.588 190 HB2 LEU 29 HB2 LEU 29 15.083 5.989 -2.096 191 HB3 LEU 29 HB3 LEU 29 14.613 7.100 -3.404 192 HG LEU 29 HG LEU 29 12.318 7.229 -2.373 193 HD11 LEU 29 1HD1 LEU 29 13.643 5.763 -0.073 194 HD12 LEU 29 2HD1 LEU 29 12.033 6.522 -0.048 195 HD13 LEU 29 3HD1 LEU 29 12.346 5.130 -1.112 196 HD21 LEU 29 3HD2 LEU 29 14.668 8.030 -0.611 197 HD22 LEU 29 1HD2 LEU 29 14.030 8.960 -1.988 198 HD23 LEU 29 2HD2 LEU 29 13.030 8.720 -0.535 199 H GLN 30 H GLN 30 14.380 3.182 -5.023 200 HA GLN 30 HA GLN 30 15.979 4.439 -6.911 201 HB2 GLN 30 HB2 GLN 30 14.260 1.923 -7.161 202 HB3 GLN 30 HB3 GLN 30 15.560 2.392 -8.278 203 HG2 GLN 30 HG2 GLN 30 17.199 2.282 -6.440 204 HG3 GLN 30 HG3 GLN 30 15.909 1.846 -5.302 205 HE21 GLN 30 2HE2 GLN 30 18.275 0.637 -7.424 206 HE22 GLN 30 1HE2 GLN 30 17.714 -1.017 -7.527 207 H TYR 31 H TYR 31 12.477 3.624 -6.925 208 HA TYR 31 HA TYR 31 11.855 4.352 -9.554 209 HB2 TYR 31 HB2 TYR 31 10.377 2.927 -8.220 210 HB3 TYR 31 HB3 TYR 31 10.196 4.188 -6.995 211 HD1 TYR 31 HD1 TYR 31 9.444 3.365 -10.560 212 HD2 TYR 31 HD2 TYR 31 8.531 5.847 -7.169 213 HE1 TYR 31 HE1 TYR 31 7.460 4.256 -11.753 214 HE2 TYR 31 HE2 TYR 31 6.544 6.742 -8.348 215 HH TYR 31 HH TYR 31 5.658 5.676 -11.660 216 H ARG 32 H ARG 32 11.890 6.206 -6.482 217 HA ARG 32 HA ARG 32 10.552 8.493 -7.355 218 HB2 ARG 32 HB2 ARG 32 12.668 8.191 -5.177 219 HB3 ARG 32 HB3 ARG 32 11.596 9.584 -5.432 220 HG2 ARG 32 HG2 ARG 32 9.669 7.818 -5.344 221 HG3 ARG 32 HG3 ARG 32 10.870 6.788 -4.549 222 HD2 ARG 32 HD2 ARG 32 11.199 8.605 -2.827 223 HD3 ARG 32 HD3 ARG 32 9.981 9.564 -3.635 224 HE ARG 32 HE ARG 32 8.723 7.143 -3.191 225 HH11 ARG 32 2HH1 ARG 32 10.319 9.576 -1.173 226 HH12 ARG 32 1HH1 ARG 32 9.278 9.298 0.205 227 HH21 ARG 32 2HH2 ARG 32 7.360 6.792 -1.387 228 HH22 ARG 32 1HH2 ARG 32 7.592 7.714 0.083 229 H ASN 33 H ASN 33 14.035 7.612 -7.333 230 HA ASN 33 HA ASN 33 14.928 10.118 -8.316 231 HB2 ASN 33 HB2 ASN 33 16.240 7.377 -8.448 232 HB3 ASN 33 HB3 ASN 33 17.025 8.923 -8.835 233 HD21 ASN 33 1HD2 ASN 33 16.710 6.652 -6.436 234 HD22 ASN 33 2HD2 ASN 33 16.995 7.655 -5.031 235 H GLY 34 H GLY 34 15.696 10.625 -10.455 236 HA2 GLY 34 HA2 GLY 34 15.939 10.228 -12.718 237 HA3 GLY 34 HA3 GLY 34 14.825 8.859 -12.610 238 H PHE 35 H PHE 35 13.160 11.096 -10.813 239 HA PHE 35 HA PHE 35 11.583 11.938 -13.108 240 HB2 PHE 35 HB2 PHE 35 11.107 12.208 -10.152 241 HB3 PHE 35 HB3 PHE 35 10.198 13.130 -11.354 242 HD1 PHE 35 HD2 PHE 35 8.839 11.952 -13.096 243 HD2 PHE 35 HD1 PHE 35 10.542 9.891 -9.739 244 HE1 PHE 35 HE2 PHE 35 7.261 10.069 -13.437 245 HE2 PHE 35 HE1 PHE 35 8.988 8.008 -10.085 246 HZ PHE 35 HZ PHE 35 7.336 8.094 -11.936 247 H TYR 36 H TYR 36 11.323 14.087 -13.757 248 HA TYR 36 HA TYR 36 13.522 15.798 -13.450 249 HB2 TYR 36 HB2 TYR 36 12.168 15.828 -15.462 250 HB3 TYR 36 HB3 TYR 36 10.720 16.250 -14.539 251 HD1 TYR 36 HD1 TYR 36 14.126 17.510 -15.444 252 HD2 TYR 36 HD2 TYR 36 10.153 18.490 -14.124 253 HE1 TYR 36 HE1 TYR 36 14.636 19.922 -15.717 254 HE2 TYR 36 HE2 TYR 36 10.648 20.902 -14.396 255 HH TYR 36 HH TYR 36 13.847 22.069 -15.535 256 H LEU 37 H LEU 37 10.196 16.084 -11.863 257 HA LEU 37 HA LEU 37 11.675 17.802 -9.985 258 HB2 LEU 37 HB2 LEU 37 10.594 19.346 -11.497 259 HB3 LEU 37 HB3 LEU 37 9.039 18.539 -11.247 260 HG LEU 37 HG LEU 37 9.069 19.168 -8.869 261 HD11 LEU 37 1HD1 LEU 37 11.644 20.640 -9.598 262 HD12 LEU 37 2HD1 LEU 37 10.750 20.828 -8.071 263 HD13 LEU 37 3HD1 LEU 37 11.508 19.274 -8.466 264 HD21 LEU 37 3HD2 LEU 37 9.637 21.528 -10.708 265 HD22 LEU 37 1HD2 LEU 37 8.129 20.597 -10.706 266 HD23 LEU 37 2HD2 LEU 37 8.604 21.522 -9.257 267 H LEU 38 H LEU 38 11.419 17.318 -8.017 268 HA LEU 38 HA LEU 38 10.070 15.060 -7.104 269 HB2 LEU 38 HB2 LEU 38 11.145 17.481 -5.600 270 HB3 LEU 38 HB3 LEU 38 10.640 15.957 -4.855 271 HG LEU 38 HG LEU 38 12.921 16.271 -6.851 272 HD11 LEU 38 1HD1 LEU 38 12.897 15.756 -3.844 273 HD12 LEU 38 2HD1 LEU 38 14.342 15.802 -4.880 274 HD13 LEU 38 3HD1 LEU 38 13.378 17.275 -4.634 275 HD21 LEU 38 3HD2 LEU 38 11.936 13.875 -5.236 276 HD22 LEU 38 1HD2 LEU 38 11.902 14.042 -7.010 277 HD23 LEU 38 2HD2 LEU 38 13.454 13.926 -6.161 278 H LYS 39 H LYS 39 9.325 18.544 -7.019 279 HA LYS 39 HA LYS 39 7.120 18.499 -5.302 280 HB2 LYS 39 HB2 LYS 39 7.842 20.484 -7.480 281 HB3 LYS 39 HB3 LYS 39 6.591 20.704 -6.244 282 HG2 LYS 39 HG2 LYS 39 8.309 20.494 -4.466 283 HG3 LYS 39 HG3 LYS 39 9.569 20.339 -5.716 284 HD2 LYS 39 HD2 LYS 39 8.955 22.555 -6.623 285 HD3 LYS 39 HD3 LYS 39 7.663 22.704 -5.409 286 HE2 LYS 39 HE2 LYS 39 9.348 22.574 -3.601 287 HE3 LYS 39 HE3 LYS 39 10.638 22.436 -4.814 288 HZ1 LYS 39 HZ1 LYS 39 10.386 24.672 -4.036 289 HZ2 LYS 39 HZ2 LYS 39 8.807 24.712 -4.512 290 HZ3 LYS 39 HZ3 LYS 39 10.005 24.584 -5.638 291 H TYR 40 H TYR 40 7.282 17.498 -8.716 292 HA TYR 40 HA TYR 40 4.677 18.206 -9.489 293 HB2 TYR 40 HB2 TYR 40 6.393 17.476 -11.093 294 HB3 TYR 40 HB3 TYR 40 6.371 15.852 -10.389 295 HD1 TYR 40 HD1 TYR 40 4.290 18.382 -12.169 296 HD2 TYR 40 HD2 TYR 40 4.718 14.265 -11.008 297 HE1 TYR 40 HE1 TYR 40 2.406 17.774 -13.662 298 HE2 TYR 40 HE2 TYR 40 2.835 13.640 -12.499 299 HH TYR 40 HH TYR 40 1.091 16.083 -14.473 300 H ASP 41 H ASP 41 2.709 17.353 -9.055 301 HA ASP 41 HA ASP 41 2.643 15.354 -6.937 302 HB2 ASP 41 HB2 ASP 41 1.409 17.467 -6.614 303 HB3 ASP 41 HB3 ASP 41 0.477 17.156 -8.090 304 H GLU 42 H GLU 42 2.233 13.402 -7.171 305 HA GLU 42 HA GLU 42 0.342 12.351 -9.048 306 HB2 GLU 42 HB2 GLU 42 1.689 10.758 -10.147 307 HB3 GLU 42 HB3 GLU 42 2.274 12.386 -10.515 308 HG2 GLU 42 HG2 GLU 42 4.059 12.065 -8.770 309 HG3 GLU 42 HG3 GLU 42 3.483 10.382 -8.612 310 H GLU 43 H GLU 43 0.931 9.614 -8.605 311 HA GLU 43 HA GLU 43 -0.116 9.179 -6.045 312 HB2 GLU 43 HB2 GLU 43 1.353 7.229 -7.838 313 HB3 GLU 43 HB3 GLU 43 0.351 6.824 -6.429 314 HG2 GLU 43 HG2 GLU 43 -1.601 7.909 -7.543 315 HG3 GLU 43 HG3 GLU 43 -0.595 8.199 -8.977 316 H TRP 44 H TRP 44 3.197 9.093 -7.291 317 HA TRP 44 HA TRP 44 4.664 8.041 -5.222 318 HB2 TRP 44 HB2 TRP 44 5.552 8.592 -7.460 319 HB3 TRP 44 HB3 TRP 44 4.937 10.231 -7.337 320 HD1 TRP 44 HD1 TRP 44 7.375 8.809 -4.723 321 HE1 TRP 44 HE1 TRP 44 9.511 10.202 -4.843 322 HE3 TRP 44 HE3 TRP 44 6.232 11.708 -8.772 323 HZ2 TRP 44 HZ2 TRP 44 10.622 12.280 -6.524 324 HZ3 TRP 44 HZ3 TRP 44 7.850 13.362 -9.628 325 HH2 TRP 44 HH2 TRP 44 10.051 13.645 -8.536 326 H TYR 45 H TYR 45 5.554 8.992 -3.266 327 HA TYR 45 HA TYR 45 4.235 11.405 -2.352 328 HB2 TYR 45 HB2 TYR 45 6.336 9.659 -1.021 329 HB3 TYR 45 HB3 TYR 45 5.628 11.115 -0.305 330 HD1 TYR 45 HD2 TYR 45 3.186 11.221 0.174 331 HD2 TYR 45 HD1 TYR 45 5.121 7.576 -1.036 332 HE1 TYR 45 HE2 TYR 45 1.246 9.924 1.009 333 HE2 TYR 45 HE1 TYR 45 3.186 6.267 -0.200 334 HH TYR 45 HH TYR 45 1.128 6.343 0.806 335 HA PRO 46 HA PRO 46 7.474 13.908 -4.152 336 HB2 PRO 46 HB2 PRO 46 6.212 15.938 -2.317 337 HB3 PRO 46 HB3 PRO 46 6.647 16.121 -4.048 338 HG2 PRO 46 HG2 PRO 46 4.069 15.728 -3.348 339 HG3 PRO 46 HG3 PRO 46 4.765 14.798 -4.722 340 HD2 PRO 46 HD2 PRO 46 4.384 13.897 -1.852 341 HD3 PRO 46 HD3 PRO 46 3.979 13.039 -3.372 342 H GLU 47 H GLU 47 6.880 13.853 -0.611 343 HA GLU 47 HA GLU 47 9.428 14.968 0.033 344 HB2 GLU 47 HB2 GLU 47 7.468 15.035 1.619 345 HB3 GLU 47 HB3 GLU 47 7.539 13.269 1.737 346 HG2 GLU 47 HG2 GLU 47 9.867 13.422 2.588 347 HG3 GLU 47 HG3 GLU 47 9.797 15.188 2.454 348 H GLU 48 H GLU 48 11.357 13.785 0.106 349 HA GLU 48 HA GLU 48 11.120 10.889 -0.296 350 HB2 GLU 48 HB2 GLU 48 13.370 12.787 -0.840 351 HB3 GLU 48 HB3 GLU 48 13.556 11.017 -0.844 352 HG2 GLU 48 HG2 GLU 48 11.801 10.880 -2.597 353 HG3 GLU 48 HG3 GLU 48 11.670 12.652 -2.593 354 H LEU 49 H LEU 49 11.627 9.528 1.182 355 HA LEU 49 HA LEU 49 11.973 10.226 3.858 356 HB2 LEU 49 HB2 LEU 49 12.540 7.593 2.426 357 HB3 LEU 49 HB3 LEU 49 12.259 7.801 4.165 358 HG LEU 49 HG LEU 49 10.243 8.402 1.953 359 HD11 LEU 49 1HD1 LEU 49 10.384 6.152 4.000 360 HD12 LEU 49 2HD1 LEU 49 9.067 6.422 2.833 361 HD13 LEU 49 3HD1 LEU 49 10.693 5.994 2.255 362 HD21 LEU 49 3HD2 LEU 49 9.983 8.453 4.992 363 HD22 LEU 49 1HD2 LEU 49 9.900 9.861 3.906 364 HD23 LEU 49 2HD2 LEU 49 8.636 8.618 3.842 365 H LEU 50 H LEU 50 14.369 8.927 1.482 366 HA LEU 50 HA LEU 50 16.465 8.743 3.370 367 HB2 LEU 50 HB2 LEU 50 16.583 8.912 0.354 368 HB3 LEU 50 HB3 LEU 50 17.919 8.469 1.433 369 HG LEU 50 HG LEU 50 15.281 6.954 1.193 370 HD11 LEU 50 1HD1 LEU 50 18.083 6.275 0.203 371 HD12 LEU 50 2HD1 LEU 50 16.635 5.251 0.046 372 HD13 LEU 50 3HD1 LEU 50 16.728 6.801 -0.822 373 HD21 LEU 50 3HD2 LEU 50 17.850 6.335 2.713 374 HD22 LEU 50 1HD2 LEU 50 16.262 6.702 3.429 375 HD23 LEU 50 2HD2 LEU 50 16.490 5.209 2.499 376 H THR 51 H THR 51 15.530 11.384 1.082 377 HA THR 51 HA THR 51 17.888 12.869 1.891 378 HB THR 51 HB THR 51 17.027 14.536 0.313 379 HG1 THR 51 HG1 THR 51 14.846 13.925 0.436 380 HG21 THR 51 1HG2 THR 51 17.283 11.700 -0.775 381 HG22 THR 51 2HG2 THR 51 17.568 13.204 -1.682 382 HG23 THR 51 3HG2 THR 51 18.650 12.753 -0.344 383 H ASP 52 H ASP 52 17.512 13.026 4.124 384 HA ASP 52 HA ASP 52 15.161 14.534 4.943 385 HB2 ASP 52 HB2 ASP 52 15.820 12.631 6.344 386 HB3 ASP 52 HB3 ASP 52 17.450 13.307 6.540 387 H GLY 53 H GLY 53 15.264 16.591 4.509 388 HA2 GLY 53 HA2 GLY 53 15.792 18.726 4.936 389 HA3 GLY 53 HA3 GLY 53 17.355 18.227 5.597 390 H GLU 54 H GLU 54 17.568 16.543 2.828 391 HA GLU 54 HA GLU 54 19.145 18.526 1.533 392 HB2 GLU 54 HB2 GLU 54 18.279 15.832 0.510 393 HB3 GLU 54 HB3 GLU 54 19.527 16.878 -0.178 394 HG2 GLU 54 HG2 GLU 54 20.819 16.735 1.919 395 HG3 GLU 54 HG3 GLU 54 19.559 15.714 2.638 396 H ASP 55 H ASP 55 15.895 17.140 0.907 397 HA ASP 55 HA ASP 55 15.423 18.372 -1.556 398 HB2 ASP 55 HB2 ASP 55 13.486 17.566 0.660 399 HB3 ASP 55 HB3 ASP 55 13.000 18.107 -0.954 400 H ASP 56 H ASP 56 14.736 19.321 1.829 401 HA ASP 56 HA ASP 56 14.057 21.153 2.862 402 HB2 ASP 56 HB2 ASP 56 16.341 21.821 2.238 403 HB3 ASP 56 HB3 ASP 56 15.708 22.575 0.765 404 H VAL 57 H VAL 57 12.073 20.085 1.216 405 HA VAL 57 HA VAL 57 10.788 22.454 0.047 406 HB VAL 57 HB VAL 57 10.038 19.515 -0.106 407 HG11 VAL 57 1HG1 VAL 57 8.849 21.995 -1.425 408 HG12 VAL 57 2HG1 VAL 57 8.390 20.315 -1.787 409 HG13 VAL 57 3HG1 VAL 57 8.064 20.996 -0.179 410 HG21 VAL 57 3HG2 VAL 57 11.190 21.441 -2.173 411 HG22 VAL 57 1HG2 VAL 57 12.062 20.092 -1.411 412 HG23 VAL 57 2HG2 VAL 57 10.684 19.763 -2.483 413 H PHE 58 H PHE 58 10.447 19.667 2.346 414 HA PHE 58 HA PHE 58 7.988 20.553 3.461 415 HB2 PHE 58 HB2 PHE 58 9.758 18.275 4.051 416 HB3 PHE 58 HB3 PHE 58 8.492 18.808 5.186 417 HD1 PHE 58 HD1 PHE 58 9.070 17.851 1.613 418 HD2 PHE 58 HD2 PHE 58 6.186 18.519 4.731 419 HE1 PHE 58 HE1 PHE 58 7.260 17.066 0.111 420 HE2 PHE 58 HE2 PHE 58 4.381 17.716 3.235 421 HZ PHE 58 HZ PHE 58 4.915 16.997 0.920 422 H ASP 59 H ASP 59 11.313 21.289 4.559 423 HA ASP 59 HA ASP 59 10.377 22.222 7.064 424 HB2 ASP 59 HB2 ASP 59 12.841 23.116 5.560 425 HB3 ASP 59 HB3 ASP 59 12.468 23.404 7.271 426 HA PRO 60 HA PRO 60 9.743 26.513 5.250 427 HB2 PRO 60 HB2 PRO 60 9.602 27.054 2.575 428 HB3 PRO 60 HB3 PRO 60 11.153 27.036 3.485 429 HG2 PRO 60 HG2 PRO 60 9.923 24.796 1.853 430 HG3 PRO 60 HG3 PRO 60 11.604 25.415 1.774 431 HD2 PRO 60 HD2 PRO 60 10.969 23.198 3.229 432 HD3 PRO 60 HD3 PRO 60 12.175 24.378 3.826 433 H ASP 61 H ASP 61 8.327 23.718 3.645 434 HA ASP 61 HA ASP 61 6.289 23.080 3.079 435 HB2 ASP 61 HB2 ASP 61 6.107 23.204 5.567 436 HB3 ASP 61 HB3 ASP 61 5.272 24.757 5.361 437 H LEU 62 H LEU 62 7.217 24.918 1.343 438 HA LEU 62 HA LEU 62 4.874 26.613 0.804 439 HB2 LEU 62 HB2 LEU 62 7.681 26.767 -0.378 440 HB3 LEU 62 HB3 LEU 62 6.316 27.829 -0.781 441 HG LEU 62 HG LEU 62 7.582 27.549 1.980 442 HD11 LEU 62 1HD1 LEU 62 7.776 29.768 -0.100 443 HD12 LEU 62 2HD1 LEU 62 8.481 29.806 1.535 444 HD13 LEU 62 3HD1 LEU 62 9.076 28.633 0.339 445 HD21 LEU 62 3HD2 LEU 62 5.461 29.456 0.905 446 HD22 LEU 62 1HD2 LEU 62 5.215 28.182 2.125 447 HD23 LEU 62 2HD2 LEU 62 6.239 29.580 2.500 448 H ASP 63 H ASP 63 3.586 25.802 -0.856 449 HA ASP 63 HA ASP 63 4.819 23.791 -2.624 450 HB2 ASP 63 HB2 ASP 63 2.990 22.773 -1.348 451 HB3 ASP 63 HB3 ASP 63 1.916 24.130 -1.733 452 H MET 64 H MET 64 5.094 24.729 -4.674 453 HA MET 64 HA MET 64 3.366 27.037 -5.307 454 HB2 MET 64 HB2 MET 64 6.208 26.526 -6.215 455 HB3 MET 64 HB3 MET 64 5.151 27.821 -6.820 456 HG2 MET 64 HG2 MET 64 4.995 28.817 -4.632 457 HG3 MET 64 HG3 MET 64 5.810 27.444 -3.876 458 HE1 MET 64 HE1 MET 64 8.243 26.719 -5.498 459 HE2 MET 64 HE2 MET 64 9.492 27.781 -4.808 460 HE3 MET 64 HE3 MET 64 8.279 27.027 -3.747 461 H GLU 65 H GLU 65 1.926 26.552 -6.729 462 HA GLU 65 HA GLU 65 1.756 24.168 -8.169 463 HB2 GLU 65 HB2 GLU 65 0.329 26.816 -8.599 464 HB3 GLU 65 HB3 GLU 65 -0.114 25.257 -9.330 465 HG2 GLU 65 HG2 GLU 65 -0.382 24.292 -7.044 466 HG3 GLU 65 HG3 GLU 65 -0.050 25.893 -6.351 467 H VAL 66 H VAL 66 2.815 27.443 -9.153 468 HA VAL 66 HA VAL 66 2.963 26.968 -11.911 469 HB VAL 66 HB VAL 66 4.538 28.905 -10.195 470 HG11 VAL 66 1HG1 VAL 66 3.952 28.818 -13.187 471 HG12 VAL 66 2HG1 VAL 66 4.741 30.163 -12.331 472 HG13 VAL 66 3HG1 VAL 66 5.541 28.581 -12.422 473 HG21 VAL 66 3HG2 VAL 66 1.915 29.193 -11.724 474 HG22 VAL 66 1HG2 VAL 66 2.096 29.180 -9.954 475 HG23 VAL 66 2HG2 VAL 66 2.784 30.512 -10.907 476 H VAL 67 H VAL 67 5.432 26.562 -9.266 477 HA VAL 67 HA VAL 67 7.569 25.927 -10.977 478 HB VAL 67 HB VAL 67 7.073 25.156 -8.101 479 HG11 VAL 67 1HG1 VAL 67 9.609 25.123 -9.789 480 HG12 VAL 67 2HG1 VAL 67 9.531 24.846 -8.032 481 HG13 VAL 67 3HG1 VAL 67 8.758 23.700 -9.145 482 HG21 VAL 67 3HG2 VAL 67 8.621 27.439 -9.398 483 HG22 VAL 67 1HG2 VAL 67 7.102 27.590 -8.482 484 HG23 VAL 67 2HG2 VAL 67 8.589 27.072 -7.659 485 H PHE 68 H PHE 68 5.153 23.710 -9.288 486 HA PHE 68 HA PHE 68 6.427 21.440 -10.518 487 HB2 PHE 68 HB2 PHE 68 5.129 20.007 -9.597 488 HB3 PHE 68 HB3 PHE 68 5.347 21.223 -8.360 489 HD1 PHE 68 HD1 PHE 68 2.952 19.645 -10.678 490 HD2 PHE 68 HD2 PHE 68 3.473 22.413 -7.430 491 HE1 PHE 68 HE1 PHE 68 0.515 19.570 -10.223 492 HE2 PHE 68 HE2 PHE 68 1.037 22.336 -6.973 493 HZ PHE 68 HZ PHE 68 -0.443 20.914 -8.370 494 H GLU 69 H GLU 69 3.677 23.415 -11.607 495 HA GLU 69 HA GLU 69 3.172 21.514 -13.713 496 HB2 GLU 69 HB2 GLU 69 2.045 24.281 -13.189 497 HB3 GLU 69 HB3 GLU 69 1.528 23.179 -14.484 498 HG2 GLU 69 HG2 GLU 69 0.881 21.490 -12.810 499 HG3 GLU 69 HG3 GLU 69 1.413 22.564 -11.502 500 H THR 70 H THR 70 5.356 21.465 -14.467 501 HA THR 70 HA THR 70 6.665 23.598 -15.743 502 HB THR 70 HB THR 70 6.848 20.593 -16.123 503 HG1 THR 70 HG1 THR 70 7.198 21.330 -13.981 504 HG21 THR 70 1HG2 THR 70 8.797 22.854 -16.749 505 HG22 THR 70 2HG2 THR 70 9.151 21.116 -16.890 506 HG23 THR 70 3HG2 THR 70 7.929 21.861 -17.945 507 H GLN 71 H GLN 71 4.311 21.092 -16.725 508 HA GLN 71 HA GLN 71 4.383 21.551 -19.524 509 HB2 GLN 71 HB2 GLN 71 2.055 20.379 -17.944 510 HB3 GLN 71 HB3 GLN 71 2.443 20.166 -19.657 511 HG2 GLN 71 HG2 GLN 71 3.435 18.249 -19.022 512 HG3 GLN 71 HG3 GLN 71 4.760 19.262 -18.434 513 HE21 GLN 71 1HE2 GLN 71 3.618 20.398 -16.107 514 HE22 GLN 71 2HE2 GLN 71 3.259 19.125 -14.962
Contact the webmaster for help, if required. Saturday, June 1, 2024 3:24:02 AM GMT (wattos1)