NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
632999 | 6bl9 | 30372 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 1HT GLU 1 -15.836 -1.814 -2.807 2 H2 GLU 1 2HT GLU 1 -15.121 -2.950 -1.767 3 H3 GLU 1 3HT GLU 1 -16.543 -3.345 -2.600 4 HA GLU 1 HA GLU 1 -14.634 -4.340 -3.646 5 HB2 GLU 1 HB2 GLU 1 -16.384 -3.535 -5.155 6 HB3 GLU 1 HB3 GLU 1 -15.682 -1.926 -5.125 7 HG2 GLU 1 HG2 GLU 1 -13.665 -2.835 -6.236 8 HG3 GLU 1 HG3 GLU 1 -14.475 -4.396 -6.348 9 H GLU 2 H GLU 2 -12.516 -4.302 -3.584 10 HA GLU 2 HA GLU 2 -11.187 -1.715 -3.345 11 HB2 GLU 2 HB2 GLU 2 -10.378 -4.404 -2.202 12 HB3 GLU 2 HB3 GLU 2 -9.342 -2.992 -2.211 13 HG2 GLU 2 HG2 GLU 2 -10.270 -3.214 -0.029 14 HG3 GLU 2 HG3 GLU 2 -11.027 -1.826 -0.793 15 H THR 3 H THR 3 -9.227 -1.508 -4.417 16 HA THR 3 HA THR 3 -8.774 -3.505 -6.496 17 HB THR 3 HB THR 3 -9.689 -1.410 -7.457 18 HG1 THR 3 HG1 THR 3 -8.417 -2.371 -8.842 19 HG21 THR 3 HG21 THR 3 -8.352 0.668 -7.432 20 HG22 THR 3 HG22 THR 3 -7.224 -0.088 -6.302 21 HG23 THR 3 HG23 THR 3 -8.897 0.205 -5.820 22 H GLU 4 H GLU 4 -6.653 -4.038 -6.904 23 HA GLU 4 HA GLU 4 -4.841 -3.515 -4.693 24 HB2 GLU 4 HB2 GLU 4 -4.542 -5.414 -7.040 25 HB3 GLU 4 HB3 GLU 4 -3.403 -5.258 -5.722 26 HG2 GLU 4 HG2 GLU 4 -4.609 -7.212 -5.266 27 HG3 GLU 4 HG3 GLU 4 -5.307 -6.004 -4.199 28 H GLU 5 H GLU 5 -2.958 -2.418 -4.902 29 HA GLU 5 HA GLU 5 -1.970 -1.735 -7.543 30 HB2 GLU 5 HB2 GLU 5 -3.550 0.075 -6.997 31 HB3 GLU 5 HB3 GLU 5 -2.704 0.363 -5.489 32 HG2 GLU 5 HG2 GLU 5 -2.180 2.014 -7.205 33 HG3 GLU 5 HG3 GLU 5 -0.747 1.120 -6.689 34 HA PRO 6 HA PRO 6 1.602 -2.570 -4.845 35 HB2 PRO 6 HB2 PRO 6 3.000 -3.021 -7.360 36 HB3 PRO 6 HB3 PRO 6 2.729 -4.143 -6.022 37 HG2 PRO 6 HG2 PRO 6 1.500 -4.427 -8.429 38 HG3 PRO 6 HG3 PRO 6 0.750 -4.928 -6.904 39 HD2 PRO 6 HD2 PRO 6 0.267 -2.458 -8.528 40 HD3 PRO 6 HD3 PRO 6 -0.891 -3.496 -7.667 41 H ILE 7 H ILE 7 2.309 -0.734 -4.162 42 HA ILE 7 HA ILE 7 3.244 1.395 -5.972 43 HB ILE 7 HB ILE 7 3.079 2.908 -4.027 44 HG12 ILE 7 HG12 ILE 7 2.296 0.535 -2.351 45 HG13 ILE 7 HG13 ILE 7 3.980 1.034 -2.464 46 HG21 ILE 7 HG21 ILE 7 0.841 2.657 -3.400 47 HG22 ILE 7 HG22 ILE 7 0.755 1.086 -4.213 48 HG23 ILE 7 HG23 ILE 7 1.067 2.558 -5.149 49 HD11 ILE 7 HD11 ILE 7 2.928 1.932 -0.509 50 HD12 ILE 7 HD12 ILE 7 1.695 2.716 -1.529 51 HD13 ILE 7 HD13 ILE 7 3.397 3.202 -1.649 52 H ARG 8 H ARG 8 5.230 2.516 -5.282 53 HA ARG 8 HA ARG 8 7.267 0.629 -4.409 54 HB2 ARG 8 HB2 ARG 8 7.593 3.451 -5.507 55 HB3 ARG 8 HB3 ARG 8 8.880 2.311 -5.123 56 HG2 ARG 8 HG2 ARG 8 8.171 0.826 -6.791 57 HG3 ARG 8 HG3 ARG 8 6.796 1.856 -7.222 58 HD2 ARG 8 HD2 ARG 8 8.388 3.619 -7.874 59 HD3 ARG 8 HD3 ARG 8 9.728 2.553 -7.442 60 HE ARG 8 HE ARG 8 8.138 1.171 -9.225 61 HH11 ARG 8 HH11 ARG 8 10.180 4.061 -9.329 62 HH12 ARG 8 HH12 ARG 8 10.489 3.918 -10.993 63 HH21 ARG 8 HH21 ARG 8 8.560 1.014 -11.465 64 HH22 ARG 8 HH22 ARG 8 9.549 2.180 -12.239 65 H HIS 9 H HIS 9 7.954 0.640 -2.437 66 HA HIS 9 HA HIS 9 7.365 2.923 -0.653 67 HB2 HIS 9 HB2 HIS 9 6.268 0.682 -0.139 68 HB3 HIS 9 HB3 HIS 9 7.882 0.023 0.080 69 HD1 HIS 9 HD3 HIS 9 9.255 1.082 2.216 70 HD2 HIS 9 HD2 HIS 9 5.192 1.875 2.012 71 HE1 HIS 9 HE1 HIS 9 8.588 1.927 4.501 72 H ALA 10 H ALA 10 9.121 3.599 0.680 73 HA ALA 10 HA ALA 10 11.707 2.772 -0.349 74 HB1 ALA 10 HB1 ALA 10 11.250 5.182 -0.185 75 HB2 ALA 10 HB2 ALA 10 12.625 4.702 0.813 76 HB3 ALA 10 HB3 ALA 10 11.059 5.021 1.562 77 H LYS 11 H LYS 11 11.578 0.647 0.597 78 HA LYS 11 HA LYS 11 13.083 0.335 2.923 79 HB2 LYS 11 HB2 LYS 11 10.641 0.881 3.766 80 HB3 LYS 11 HB3 LYS 11 10.241 -0.691 3.113 81 HG2 LYS 11 HG2 LYS 11 10.569 -0.990 5.421 82 HG3 LYS 11 HG3 LYS 11 12.026 -1.629 4.648 83 HD2 LYS 11 HD2 LYS 11 13.228 0.402 5.153 84 HD3 LYS 11 HD3 LYS 11 11.766 1.154 5.777 85 HE2 LYS 11 HE2 LYS 11 13.215 -1.217 6.949 86 HE3 LYS 11 HE3 LYS 11 13.170 0.410 7.610 87 HZ1 LYS 11 HZ1 LYS 11 11.595 -0.871 8.807 88 HZ2 LYS 11 HZ2 LYS 11 10.959 -1.545 7.439 89 HZ3 LYS 11 HZ3 LYS 11 10.623 0.052 7.780 90 H LYS 12 H LYS 12 13.868 -1.840 2.687 91 HA LYS 12 HA LYS 12 13.380 -3.084 0.205 92 HB2 LYS 12 HB2 LYS 12 15.509 -3.424 1.310 93 HB3 LYS 12 HB3 LYS 12 14.722 -4.147 2.702 94 HG2 LYS 12 HG2 LYS 12 14.078 -6.073 1.395 95 HG3 LYS 12 HG3 LYS 12 14.719 -5.329 -0.069 96 HD2 LYS 12 HD2 LYS 12 16.958 -5.428 0.798 97 HD3 LYS 12 HD3 LYS 12 16.372 -5.981 2.368 98 HE2 LYS 12 HE2 LYS 12 17.311 -7.809 1.002 99 HE3 LYS 12 HE3 LYS 12 15.622 -8.066 1.399 100 HZ1 LYS 12 HZ1 LYS 12 16.150 -8.611 -0.900 101 HZ2 LYS 12 HZ2 LYS 12 16.586 -7.012 -1.221 102 HZ3 LYS 12 HZ3 LYS 12 14.998 -7.401 -0.815 103 H ASN 13 H ASN 13 12.451 -4.054 3.457 104 HA ASN 13 HA ASN 13 10.105 -5.340 2.265 105 HB2 ASN 13 HB2 ASN 13 11.687 -7.124 2.968 106 HB3 ASN 13 HB3 ASN 13 11.656 -6.473 4.607 107 HD21 ASN 13 HD21 ASN 13 9.936 -8.274 2.218 108 HD22 ASN 13 HD22 ASN 13 8.662 -8.827 3.241 109 HA PRO 14 HA PRO 14 8.852 -2.270 5.396 110 HB2 PRO 14 HB2 PRO 14 6.561 -1.621 4.049 111 HB3 PRO 14 HB3 PRO 14 8.101 -0.786 3.831 112 HG2 PRO 14 HG2 PRO 14 6.821 -2.880 2.148 113 HG3 PRO 14 HG3 PRO 14 7.773 -1.471 1.660 114 HD2 PRO 14 HD2 PRO 14 8.749 -3.982 1.698 115 HD3 PRO 14 HD3 PRO 14 9.759 -2.555 1.981 116 H SER 15 H SER 15 7.433 -2.576 6.941 117 HA SER 15 HA SER 15 6.047 -5.049 7.124 118 HB2 SER 15 HB2 SER 15 5.717 -2.618 8.898 119 HB3 SER 15 HB3 SER 15 5.588 -4.327 9.336 120 HG SER 15 HG SER 15 7.868 -2.793 8.781 121 H GLU 16 H GLU 16 3.603 -5.064 7.455 122 HA GLU 16 HA GLU 16 2.420 -3.754 5.263 123 HB2 GLU 16 HB2 GLU 16 0.274 -4.665 6.009 124 HB3 GLU 16 HB3 GLU 16 1.541 -5.876 5.966 125 HG2 GLU 16 HG2 GLU 16 1.732 -5.846 8.338 126 HG3 GLU 16 HG3 GLU 16 0.621 -4.475 8.457 127 H GLY 17 H GLY 17 2.617 -2.912 8.593 128 HA2 GLY 17 HA2 GLY 17 0.683 -0.845 8.623 129 HA3 GLY 17 HA3 GLY 17 2.077 -0.973 9.697 130 H GLU 18 H GLU 18 4.137 -0.888 7.885 131 HA GLU 18 HA GLU 18 4.496 1.875 7.428 132 HB2 GLU 18 HB2 GLU 18 5.976 -0.471 6.186 133 HB3 GLU 18 HB3 GLU 18 6.527 1.195 6.169 134 HG2 GLU 18 HG2 GLU 18 6.739 1.147 8.605 135 HG3 GLU 18 HG3 GLU 18 6.171 -0.518 8.627 136 H CYS 19 H CYS 19 3.751 -0.849 5.346 137 HA CYS 19 HA CYS 19 3.494 0.486 2.929 138 HB2 CYS 19 HB2 CYS 19 2.102 -1.987 3.935 139 HB3 CYS 19 HB3 CYS 19 1.981 -1.410 2.284 140 H LYS 20 H LYS 20 0.956 -0.200 5.395 141 HA LYS 20 HA LYS 20 -1.126 0.942 3.925 142 HB2 LYS 20 HB2 LYS 20 -0.841 0.676 6.913 143 HB3 LYS 20 HB3 LYS 20 -2.278 1.311 6.130 144 HG2 LYS 20 HG2 LYS 20 -2.513 -0.848 4.927 145 HG3 LYS 20 HG3 LYS 20 -1.138 -1.461 5.845 146 HD2 LYS 20 HD2 LYS 20 -3.169 -2.198 6.904 147 HD3 LYS 20 HD3 LYS 20 -2.391 -0.998 7.938 148 HE2 LYS 20 HE2 LYS 20 -3.952 0.722 7.015 149 HE3 LYS 20 HE3 LYS 20 -4.744 -0.548 6.093 150 HZ1 LYS 20 HZ1 LYS 20 -5.257 -1.642 8.248 151 HZ2 LYS 20 HZ2 LYS 20 -5.967 -0.147 8.044 152 HZ3 LYS 20 HZ3 LYS 20 -4.628 -0.280 9.046 153 H LYS 21 H LYS 21 1.145 2.420 6.156 154 HA LYS 21 HA LYS 21 -0.118 4.927 6.100 155 HB2 LYS 21 HB2 LYS 21 1.529 4.316 7.841 156 HB3 LYS 21 HB3 LYS 21 2.802 4.334 6.630 157 HG2 LYS 21 HG2 LYS 21 2.840 6.385 7.921 158 HG3 LYS 21 HG3 LYS 21 2.396 6.722 6.248 159 HD2 LYS 21 HD2 LYS 21 -0.003 6.733 6.941 160 HD3 LYS 21 HD3 LYS 21 0.526 6.554 8.614 161 HE2 LYS 21 HE2 LYS 21 1.212 8.819 6.754 162 HE3 LYS 21 HE3 LYS 21 0.015 8.884 8.042 163 HZ1 LYS 21 HZ1 LYS 21 1.759 8.543 9.650 164 HZ2 LYS 21 HZ2 LYS 21 2.155 9.879 8.665 165 HZ3 LYS 21 HZ3 LYS 21 2.916 8.406 8.434 166 H ALA 22 H ALA 22 2.440 3.526 4.110 167 HA ALA 22 HA ALA 22 2.923 5.855 2.568 168 HB1 ALA 22 HB1 ALA 22 4.502 3.980 2.671 169 HB2 ALA 22 HB2 ALA 22 4.067 4.388 1.010 170 HB3 ALA 22 HB3 ALA 22 3.344 2.980 1.793 171 H CYS 23 H CYS 23 0.822 3.055 2.057 172 HA CYS 23 HA CYS 23 -0.226 3.806 -0.427 173 HB2 CYS 23 HB2 CYS 23 -1.595 2.302 1.811 174 HB3 CYS 23 HB3 CYS 23 -2.168 2.384 0.151 175 H ALA 24 H ALA 24 -1.116 4.695 2.846 176 HA ALA 24 HA ALA 24 -3.405 6.173 2.178 177 HB1 ALA 24 HB1 ALA 24 -2.904 5.418 4.425 178 HB2 ALA 24 HB2 ALA 24 -3.157 7.167 4.386 179 HB3 ALA 24 HB3 ALA 24 -1.520 6.508 4.506 180 H ASP 25 H ASP 25 -0.095 7.239 2.941 181 HA ASP 25 HA ASP 25 -0.366 9.934 2.408 182 HB2 ASP 25 HB2 ASP 25 1.945 8.078 2.356 183 HB3 ASP 25 HB3 ASP 25 2.157 9.647 1.602 184 H ALA 26 H ALA 26 0.558 7.424 0.100 185 HA ALA 26 HA ALA 26 0.831 9.310 -2.019 186 HB1 ALA 26 HB1 ALA 26 0.700 6.309 -2.174 187 HB2 ALA 26 HB2 ALA 26 2.162 7.257 -1.910 188 HB3 ALA 26 HB3 ALA 26 1.280 7.402 -3.431 189 H PHE 27 H PHE 27 -1.969 7.789 -0.709 190 HA PHE 27 HA PHE 27 -3.274 8.214 -3.309 191 HB2 PHE 27 HB2 PHE 27 -3.682 5.960 -1.399 192 HB3 PHE 27 HB3 PHE 27 -4.963 6.428 -2.514 193 HD1 PHE 27 HD1 PHE 27 -1.751 4.669 -2.187 194 HD2 PHE 27 HD2 PHE 27 -4.532 6.415 -4.926 195 HE1 PHE 27 HE1 PHE 27 -0.760 3.430 -4.004 196 HE2 PHE 27 HE2 PHE 27 -3.512 5.174 -6.737 197 HZ PHE 27 HZ PHE 27 -1.606 3.673 -6.292 198 H ALA 28 H ALA 28 -3.617 8.643 0.106 199 HA ALA 28 HA ALA 28 -5.951 10.332 -0.435 200 HB1 ALA 28 HB1 ALA 28 -6.653 8.192 0.575 201 HB2 ALA 28 HB2 ALA 28 -6.977 9.582 1.596 202 HB3 ALA 28 HB3 ALA 28 -5.605 8.530 1.955 203 H ASN 29 H ASN 29 -2.931 10.589 0.134 204 HA ASN 29 HA ASN 29 -1.535 12.074 1.080 205 HB2 ASN 29 HB2 ASN 29 -4.115 13.592 1.489 206 HB3 ASN 29 HB3 ASN 29 -2.549 14.267 1.905 207 HD21 ASN 29 HD21 ASN 29 -2.795 15.905 0.411 208 HD22 ASN 29 HD22 ASN 29 -2.654 15.663 -1.285 209 H GLY 30 H GLY 30 -2.801 9.971 2.753 210 HA2 GLY 30 HA2 GLY 30 -1.544 9.674 4.911 211 HA3 GLY 30 HA3 GLY 30 -2.253 11.215 5.368 212 H ASP 31 H ASP 31 -4.788 10.286 3.914 213 HA ASP 31 HA ASP 31 -5.982 9.197 6.289 214 HB2 ASP 31 HB2 ASP 31 -7.312 10.712 4.941 215 HB3 ASP 31 HB3 ASP 31 -7.214 9.616 3.563 216 H GLN 32 H GLN 32 -6.284 7.196 6.869 217 HA GLN 32 HA GLN 32 -5.499 5.140 4.972 218 HB2 GLN 32 HB2 GLN 32 -5.856 5.015 7.952 219 HB3 GLN 32 HB3 GLN 32 -5.276 3.704 6.934 220 HG2 GLN 32 HG2 GLN 32 -3.374 5.104 6.274 221 HG3 GLN 32 HG3 GLN 32 -3.937 6.348 7.380 222 HE21 GLN 32 HE21 GLN 32 -1.486 4.813 7.298 223 HE22 GLN 32 HE22 GLN 32 -1.332 4.041 8.832 224 H SER 33 H SER 33 -8.354 6.514 5.436 225 HA SER 33 HA SER 33 -9.821 4.079 6.001 226 HB2 SER 33 HB2 SER 33 -10.528 6.246 7.055 227 HB3 SER 33 HB3 SER 33 -10.861 6.883 5.447 228 HG SER 33 HG SER 33 -12.059 4.486 5.892 229 H LYS 34 H LYS 34 -8.543 5.773 3.423 230 HA LYS 34 HA LYS 34 -10.391 4.777 1.407 231 HB2 LYS 34 HB2 LYS 34 -9.251 6.985 1.170 232 HB3 LYS 34 HB3 LYS 34 -7.703 6.163 1.138 233 HG2 LYS 34 HG2 LYS 34 -8.318 5.088 -0.977 234 HG3 LYS 34 HG3 LYS 34 -9.883 5.901 -0.935 235 HD2 LYS 34 HD2 LYS 34 -8.742 8.084 -1.001 236 HD3 LYS 34 HD3 LYS 34 -7.189 7.248 -1.027 237 HE2 LYS 34 HE2 LYS 34 -7.722 6.241 -3.156 238 HE3 LYS 34 HE3 LYS 34 -9.317 6.994 -3.131 239 HZ1 LYS 34 HZ1 LYS 34 -7.653 8.192 -4.505 240 HZ2 LYS 34 HZ2 LYS 34 -6.790 8.580 -3.105 241 HZ3 LYS 34 HZ3 LYS 34 -8.365 9.121 -3.311 242 H ILE 35 H ILE 35 -7.897 3.568 3.208 243 HA ILE 35 HA ILE 35 -7.114 1.591 1.174 244 HB ILE 35 HB ILE 35 -5.499 2.601 3.541 245 HG12 ILE 35 HG12 ILE 35 -5.578 4.268 1.752 246 HG13 ILE 35 HG13 ILE 35 -3.968 3.574 1.867 247 HG21 ILE 35 HG21 ILE 35 -3.645 1.258 2.660 248 HG22 ILE 35 HG22 ILE 35 -4.717 0.608 1.420 249 HG23 ILE 35 HG23 ILE 35 -5.026 0.258 3.119 250 HD11 ILE 35 HD11 ILE 35 -4.608 3.870 -0.447 251 HD12 ILE 35 HD12 ILE 35 -6.061 2.909 -0.198 252 HD13 ILE 35 HD13 ILE 35 -4.474 2.150 -0.081 253 H ALA 36 H ALA 36 -7.785 -0.399 1.610 254 HA ALA 36 HA ALA 36 -9.106 -1.022 4.090 255 HB1 ALA 36 HB1 ALA 36 -8.406 -2.827 1.769 256 HB2 ALA 36 HB2 ALA 36 -9.920 -1.944 1.966 257 HB3 ALA 36 HB3 ALA 36 -9.494 -3.228 3.095 258 H LYS 37 H LYS 37 -6.180 -2.094 2.440 259 HA LYS 37 HA LYS 37 -4.763 -2.477 4.858 260 HB2 LYS 37 HB2 LYS 37 -6.180 -4.627 4.663 261 HB3 LYS 37 HB3 LYS 37 -5.300 -4.969 3.183 262 HG2 LYS 37 HG2 LYS 37 -3.193 -5.064 4.464 263 HG3 LYS 37 HG3 LYS 37 -4.084 -4.735 5.950 264 HD2 LYS 37 HD2 LYS 37 -5.406 -6.820 5.506 265 HD3 LYS 37 HD3 LYS 37 -4.320 -7.149 4.159 266 HE2 LYS 37 HE2 LYS 37 -3.461 -6.838 7.044 267 HE3 LYS 37 HE3 LYS 37 -3.711 -8.377 6.234 268 HZ1 LYS 37 HZ1 LYS 37 -1.815 -8.022 4.870 269 HZ2 LYS 37 HZ2 LYS 37 -1.366 -7.525 6.413 270 HZ3 LYS 37 HZ3 LYS 37 -1.739 -6.376 5.266 271 H ALA 38 H ALA 38 -2.548 -3.345 4.190 272 HA ALA 38 HA ALA 38 -1.928 -3.198 1.407 273 HB1 ALA 38 HB1 ALA 38 -1.630 -0.877 2.158 274 HB2 ALA 38 HB2 ALA 38 -0.080 -1.645 1.827 275 HB3 ALA 38 HB3 ALA 38 -0.623 -1.441 3.495 276 H GLU 39 H GLU 39 0.085 -4.289 1.104 277 HA GLU 39 HA GLU 39 1.304 -5.490 3.463 278 HB2 GLU 39 HB2 GLU 39 -0.771 -6.812 2.887 279 HB3 GLU 39 HB3 GLU 39 -0.015 -7.211 1.359 280 HG2 GLU 39 HG2 GLU 39 1.636 -8.519 2.429 281 HG3 GLU 39 HG3 GLU 39 1.185 -7.902 4.021 282 H ASN 40 H ASN 40 3.312 -6.665 2.869 283 HA ASN 40 HA ASN 40 4.653 -5.319 0.780 284 HB2 ASN 40 HB2 ASN 40 5.935 -6.106 2.711 285 HB3 ASN 40 HB3 ASN 40 5.538 -7.777 2.318 286 HD21 ASN 40 HD21 ASN 40 7.299 -4.971 1.276 287 HD22 ASN 40 HD22 ASN 40 8.402 -5.793 0.220 288 H PHE 41 H PHE 41 4.771 -5.684 -1.224 289 HA PHE 41 HA PHE 41 3.485 -8.043 -2.340 290 HB2 PHE 41 HB2 PHE 41 2.809 -5.830 -3.167 291 HB3 PHE 41 HB3 PHE 41 4.471 -5.463 -3.585 292 HD1 PHE 41 HD1 PHE 41 1.496 -7.413 -4.503 293 HD2 PHE 41 HD2 PHE 41 5.459 -6.309 -5.604 294 HE1 PHE 41 HE1 PHE 41 1.113 -8.278 -6.766 295 HE2 PHE 41 HE2 PHE 41 5.089 -7.183 -7.852 296 HZ PHE 41 HZ PHE 41 2.907 -8.168 -8.448 297 H LYS 42 H LYS 42 6.524 -6.241 -2.416 298 HA LYS 42 HA LYS 42 8.118 -8.494 -2.907 299 HB2 LYS 42 HB2 LYS 42 7.031 -8.067 -5.182 300 HB3 LYS 42 HB3 LYS 42 7.802 -6.497 -5.193 301 HG2 LYS 42 HG2 LYS 42 9.974 -7.510 -5.333 302 HG3 LYS 42 HG3 LYS 42 9.270 -9.106 -5.052 303 HD2 LYS 42 HD2 LYS 42 8.033 -8.930 -7.165 304 HD3 LYS 42 HD3 LYS 42 8.757 -7.350 -7.448 305 HE2 LYS 42 HE2 LYS 42 9.849 -9.237 -8.675 306 HE3 LYS 42 HE3 LYS 42 10.945 -8.306 -7.672 307 HZ1 LYS 42 HZ1 LYS 42 9.733 -10.919 -6.863 308 HZ2 LYS 42 HZ2 LYS 42 10.892 -10.036 -6.013 309 HZ3 LYS 42 HZ3 LYS 42 11.283 -10.712 -7.484 310 H ASP 43 H ASP 43 10.440 -7.322 -3.549 311 HA ASP 43 HA ASP 43 11.082 -5.697 -1.367 312 HB2 ASP 43 HB2 ASP 43 12.568 -6.020 -3.971 313 HB3 ASP 43 HB3 ASP 43 13.213 -5.251 -2.529 314 H TYR 44 H TYR 44 10.765 -3.694 -0.987 315 HA TYR 44 HA TYR 44 10.266 -1.504 -1.150 316 HB2 TYR 44 HB2 TYR 44 11.478 -1.754 -3.921 317 HB3 TYR 44 HB3 TYR 44 11.013 -0.226 -3.188 318 HD1 TYR 44 HD1 TYR 44 12.430 0.833 -1.558 319 HD2 TYR 44 HD2 TYR 44 13.359 -3.057 -2.982 320 HE1 TYR 44 HE1 TYR 44 14.660 1.005 -0.543 321 HE2 TYR 44 HE2 TYR 44 15.582 -2.912 -1.973 322 HH TYR 44 HH TYR 44 16.449 -0.517 0.253 323 H TYR 45 H TYR 45 8.367 -3.655 -2.224 324 HA TYR 45 HA TYR 45 6.508 -1.737 -3.459 325 HB2 TYR 45 HB2 TYR 45 6.897 -4.627 -4.252 326 HB3 TYR 45 HB3 TYR 45 5.524 -3.646 -4.747 327 HD1 TYR 45 HD1 TYR 45 6.166 -1.391 -5.895 328 HD2 TYR 45 HD2 TYR 45 8.733 -4.762 -5.675 329 HE1 TYR 45 HE1 TYR 45 7.414 -0.563 -7.822 330 HE2 TYR 45 HE2 TYR 45 9.989 -3.948 -7.598 331 HH TYR 45 HH TYR 45 9.567 -2.422 -9.563 332 H CYS 46 H CYS 46 4.623 -1.603 -2.650 333 HA CYS 46 HA CYS 46 3.720 -3.673 -0.757 334 HB2 CYS 46 HB2 CYS 46 3.251 -0.689 -0.593 335 HB3 CYS 46 HB3 CYS 46 2.502 -1.893 0.447 336 H ASN 47 H ASN 47 1.761 -4.482 -1.161 337 HA ASN 47 HA ASN 47 0.314 -3.421 -3.449 338 HB2 ASN 47 HB2 ASN 47 0.609 -5.892 -3.248 339 HB3 ASN 47 HB3 ASN 47 -0.305 -5.854 -1.741 340 HD21 ASN 47 HD21 ASN 47 -2.575 -5.552 -1.826 341 HD22 ASN 47 HD22 ASN 47 -3.430 -5.653 -3.318 342 H CYS 48 H CYS 48 -0.970 -1.824 -3.064 343 HA CYS 48 HA CYS 48 -2.184 -1.479 -0.466 344 HB2 CYS 48 HB2 CYS 48 -2.379 0.273 -2.942 345 HB3 CYS 48 HB3 CYS 48 -2.820 0.681 -1.285 346 H HIS 49 H HIS 49 -4.343 -1.652 -0.099 347 HA HIS 49 HA HIS 49 -5.993 -2.690 -2.282 348 HB2 HIS 49 HB2 HIS 49 -6.328 -2.979 0.730 349 HB3 HIS 49 HB3 HIS 49 -7.430 -3.629 -0.476 350 HD1 HIS 49 HD3 HIS 49 -7.031 -6.035 -0.991 351 HD2 HIS 49 HD2 HIS 49 -3.615 -4.155 0.420 352 HE1 HIS 49 HE1 HIS 49 -5.300 -7.842 -0.764 353 H ILE 50 H ILE 50 -6.829 -0.923 -3.091 354 HA ILE 50 HA ILE 50 -7.446 1.310 -1.331 355 HB ILE 50 HB ILE 50 -7.774 1.303 -4.333 356 HG12 ILE 50 HG12 ILE 50 -5.225 1.988 -2.841 357 HG13 ILE 50 HG13 ILE 50 -5.470 0.468 -3.690 358 HG21 ILE 50 HG21 ILE 50 -7.085 3.386 -2.273 359 HG22 ILE 50 HG22 ILE 50 -8.671 3.182 -3.026 360 HG23 ILE 50 HG23 ILE 50 -7.282 3.703 -4.000 361 HD11 ILE 50 HD11 ILE 50 -4.184 2.026 -5.026 362 HD12 ILE 50 HD12 ILE 50 -5.493 3.208 -4.935 363 HD13 ILE 50 HD13 ILE 50 -5.738 1.680 -5.783 364 H ILE 51 H ILE 51 -9.434 1.653 -0.661 365 HA ILE 51 HA ILE 51 -11.616 -0.001 -1.592 366 HB ILE 51 HB ILE 51 -11.645 2.268 0.425 367 HG12 ILE 51 HG12 ILE 51 -11.400 -0.702 0.942 368 HG13 ILE 51 HG13 ILE 51 -10.069 0.445 1.065 369 HG21 ILE 51 HG21 ILE 51 -13.854 1.708 -0.449 370 HG22 ILE 51 HG22 ILE 51 -13.714 1.192 1.234 371 HG23 ILE 51 HG23 ILE 51 -13.590 0.006 -0.065 372 HD11 ILE 51 HD11 ILE 51 -10.957 -0.099 3.247 373 HD12 ILE 51 HD12 ILE 51 -12.566 0.396 2.733 374 HD13 ILE 51 HD13 ILE 51 -11.278 1.596 2.871 375 H ILE 52 H ILE 52 -12.745 0.603 -3.289 376 HA ILE 52 HA ILE 52 -12.754 3.386 -4.131 377 HB ILE 52 HB ILE 52 -14.215 1.027 -5.386 378 HG12 ILE 52 HG12 ILE 52 -11.470 2.093 -6.095 379 HG13 ILE 52 HG13 ILE 52 -11.755 0.616 -5.182 380 HG21 ILE 52 HG21 ILE 52 -13.333 3.711 -6.479 381 HG22 ILE 52 HG22 ILE 52 -14.995 3.220 -6.130 382 HG23 ILE 52 HG23 ILE 52 -14.091 2.432 -7.422 383 HD11 ILE 52 HD11 ILE 52 -12.913 -0.337 -7.108 384 HD12 ILE 52 HD12 ILE 52 -11.261 0.145 -7.502 385 HD13 ILE 52 HD13 ILE 52 -12.620 1.149 -8.011 386 H HIS 53 H HIS 53 -15.211 0.844 -3.699 387 HA HIS 53 HA HIS 53 -16.563 1.676 -1.600 388 HB2 HIS 53 HB2 HIS 53 -18.670 2.636 -2.530 389 HB3 HIS 53 HB3 HIS 53 -17.335 3.731 -2.827 390 HD1 HIS 53 HD3 HIS 53 -19.905 1.651 -4.544 391 HD2 HIS 53 HD2 HIS 53 -16.673 4.058 -5.518 392 HE1 HIS 53 HE1 HIS 53 -20.107 2.121 -7.028 Start of MODEL 2 1 H1 GLU 1 1HT GLU 1 -15.296 -4.034 -2.289 2 H2 GLU 1 2HT GLU 1 -16.591 -4.319 -3.346 3 H3 GLU 1 3HT GLU 1 -16.057 -2.742 -3.072 4 HA GLU 1 HA GLU 1 -14.544 -4.906 -4.331 5 HB2 GLU 1 HB2 GLU 1 -16.298 -4.032 -5.801 6 HB3 GLU 1 HB3 GLU 1 -15.726 -2.392 -5.517 7 HG2 GLU 1 HG2 GLU 1 -13.669 -2.842 -6.650 8 HG3 GLU 1 HG3 GLU 1 -14.064 -4.553 -6.781 9 H GLU 2 H GLU 2 -12.624 -4.827 -3.819 10 HA GLU 2 HA GLU 2 -11.275 -2.344 -3.078 11 HB2 GLU 2 HB2 GLU 2 -11.678 -4.203 -1.445 12 HB3 GLU 2 HB3 GLU 2 -10.736 -5.242 -2.485 13 HG2 GLU 2 HG2 GLU 2 -8.788 -3.826 -2.085 14 HG3 GLU 2 HG3 GLU 2 -9.766 -2.834 -1.001 15 H THR 3 H THR 3 -9.224 -2.052 -4.125 16 HA THR 3 HA THR 3 -8.677 -3.923 -6.312 17 HB THR 3 HB THR 3 -8.613 -0.901 -6.474 18 HG1 THR 3 HG1 THR 3 -10.519 -2.765 -6.719 19 HG21 THR 3 HG21 THR 3 -6.978 -2.046 -7.978 20 HG22 THR 3 HG22 THR 3 -8.267 -1.245 -8.871 21 HG23 THR 3 HG23 THR 3 -8.302 -2.994 -8.654 22 H GLU 4 H GLU 4 -6.526 -4.292 -6.777 23 HA GLU 4 HA GLU 4 -4.659 -3.708 -4.646 24 HB2 GLU 4 HB2 GLU 4 -4.010 -5.133 -7.211 25 HB3 GLU 4 HB3 GLU 4 -3.280 -5.336 -5.633 26 HG2 GLU 4 HG2 GLU 4 -5.971 -6.328 -6.545 27 HG3 GLU 4 HG3 GLU 4 -4.541 -7.280 -6.186 28 H GLU 5 H GLU 5 -3.151 -2.133 -4.805 29 HA GLU 5 HA GLU 5 -2.243 -1.318 -7.466 30 HB2 GLU 5 HB2 GLU 5 -3.889 0.356 -6.665 31 HB3 GLU 5 HB3 GLU 5 -2.907 0.612 -5.233 32 HG2 GLU 5 HG2 GLU 5 -2.570 2.396 -6.839 33 HG3 GLU 5 HG3 GLU 5 -1.086 1.469 -6.626 34 HA PRO 6 HA PRO 6 1.504 -2.174 -5.055 35 HB2 PRO 6 HB2 PRO 6 2.855 -2.147 -7.616 36 HB3 PRO 6 HB3 PRO 6 2.626 -3.493 -6.501 37 HG2 PRO 6 HG2 PRO 6 1.390 -3.361 -8.921 38 HG3 PRO 6 HG3 PRO 6 0.693 -4.185 -7.522 39 HD2 PRO 6 HD2 PRO 6 0.064 -1.482 -8.633 40 HD3 PRO 6 HD3 PRO 6 -1.015 -2.736 -7.977 41 H ILE 7 H ILE 7 2.272 -0.415 -4.109 42 HA ILE 7 HA ILE 7 3.148 1.874 -5.744 43 HB ILE 7 HB ILE 7 3.043 3.247 -3.709 44 HG12 ILE 7 HG12 ILE 7 2.198 0.807 -2.174 45 HG13 ILE 7 HG13 ILE 7 3.900 1.243 -2.283 46 HG21 ILE 7 HG21 ILE 7 0.798 3.065 -3.110 47 HG22 ILE 7 HG22 ILE 7 0.665 1.514 -3.954 48 HG23 ILE 7 HG23 ILE 7 1.032 2.993 -4.859 49 HD11 ILE 7 HD11 ILE 7 2.909 2.063 -0.262 50 HD12 ILE 7 HD12 ILE 7 1.698 2.955 -1.214 51 HD13 ILE 7 HD13 ILE 7 3.416 3.378 -1.328 52 H ARG 8 H ARG 8 5.157 2.903 -4.992 53 HA ARG 8 HA ARG 8 7.186 0.845 -4.555 54 HB2 ARG 8 HB2 ARG 8 7.598 3.778 -5.191 55 HB3 ARG 8 HB3 ARG 8 8.752 2.450 -5.328 56 HG2 ARG 8 HG2 ARG 8 7.574 1.480 -7.115 57 HG3 ARG 8 HG3 ARG 8 6.259 2.648 -6.961 58 HD2 ARG 8 HD2 ARG 8 7.857 4.445 -7.514 59 HD3 ARG 8 HD3 ARG 8 9.113 3.220 -7.742 60 HE ARG 8 HE ARG 8 7.023 2.418 -9.293 61 HH11 ARG 8 HH11 ARG 8 9.088 5.301 -9.211 62 HH12 ARG 8 HH12 ARG 8 8.899 5.632 -10.860 63 HH21 ARG 8 HH21 ARG 8 6.765 2.864 -11.497 64 HH22 ARG 8 HH22 ARG 8 7.544 4.205 -12.214 65 H HIS 9 H HIS 9 8.437 0.779 -2.716 66 HA HIS 9 HA HIS 9 8.079 2.917 -0.749 67 HB2 HIS 9 HB2 HIS 9 6.595 0.883 -0.284 68 HB3 HIS 9 HB3 HIS 9 8.076 -0.036 -0.065 69 HD1 HIS 9 HD3 HIS 9 9.463 0.492 2.135 70 HD2 HIS 9 HD2 HIS 9 5.865 2.515 1.779 71 HE1 HIS 9 HE1 HIS 9 8.975 1.463 4.419 72 H ALA 10 H ALA 10 9.939 3.247 0.502 73 HA ALA 10 HA ALA 10 12.388 2.388 -0.773 74 HB1 ALA 10 HB1 ALA 10 11.953 4.272 1.535 75 HB2 ALA 10 HB2 ALA 10 12.027 4.728 -0.167 76 HB3 ALA 10 HB3 ALA 10 13.450 4.053 0.630 77 H LYS 11 H LYS 11 11.090 0.221 0.622 78 HA LYS 11 HA LYS 11 13.251 -0.529 2.307 79 HB2 LYS 11 HB2 LYS 11 11.715 0.531 3.932 80 HB3 LYS 11 HB3 LYS 11 10.400 -0.477 3.354 81 HG2 LYS 11 HG2 LYS 11 11.486 -2.448 4.194 82 HG3 LYS 11 HG3 LYS 11 12.898 -1.501 4.672 83 HD2 LYS 11 HD2 LYS 11 11.568 -0.267 6.262 84 HD3 LYS 11 HD3 LYS 11 10.106 -1.097 5.737 85 HE2 LYS 11 HE2 LYS 11 11.042 -3.225 6.514 86 HE3 LYS 11 HE3 LYS 11 12.510 -2.394 7.027 87 HZ1 LYS 11 HZ1 LYS 11 10.921 -2.800 8.847 88 HZ2 LYS 11 HZ2 LYS 11 9.800 -1.777 8.086 89 HZ3 LYS 11 HZ3 LYS 11 11.269 -1.174 8.624 90 H LYS 12 H LYS 12 13.593 -2.643 2.088 91 HA LYS 12 HA LYS 12 12.715 -3.994 -0.147 92 HB2 LYS 12 HB2 LYS 12 14.787 -4.479 1.056 93 HB3 LYS 12 HB3 LYS 12 13.870 -5.105 2.412 94 HG2 LYS 12 HG2 LYS 12 13.006 -6.894 0.944 95 HG3 LYS 12 HG3 LYS 12 14.050 -6.287 -0.346 96 HD2 LYS 12 HD2 LYS 12 16.014 -6.659 1.076 97 HD3 LYS 12 HD3 LYS 12 14.964 -7.242 2.359 98 HE2 LYS 12 HE2 LYS 12 16.012 -9.090 1.129 99 HE3 LYS 12 HE3 LYS 12 14.256 -9.106 1.005 100 HZ1 LYS 12 HZ1 LYS 12 16.019 -7.977 -1.114 101 HZ2 LYS 12 HZ2 LYS 12 14.345 -8.313 -1.181 102 HZ3 LYS 12 HZ3 LYS 12 15.436 -9.560 -1.099 103 H ASN 13 H ASN 13 11.857 -4.673 3.192 104 HA ASN 13 HA ASN 13 9.271 -5.674 2.294 105 HB2 ASN 13 HB2 ASN 13 11.002 -7.064 4.365 106 HB3 ASN 13 HB3 ASN 13 9.337 -7.488 3.996 107 HD21 ASN 13 HD21 ASN 13 8.897 -8.443 1.951 108 HD22 ASN 13 HD22 ASN 13 10.162 -9.213 1.051 109 HA PRO 14 HA PRO 14 8.719 -2.641 5.573 110 HB2 PRO 14 HB2 PRO 14 6.321 -1.860 4.168 111 HB3 PRO 14 HB3 PRO 14 7.796 -0.925 4.417 112 HG2 PRO 14 HG2 PRO 14 7.000 -1.854 1.976 113 HG3 PRO 14 HG3 PRO 14 8.694 -1.566 2.409 114 HD2 PRO 14 HD2 PRO 14 7.158 -4.128 2.345 115 HD3 PRO 14 HD3 PRO 14 8.822 -3.779 1.806 116 H SER 15 H SER 15 7.187 -2.500 7.167 117 HA SER 15 HA SER 15 5.623 -4.866 7.495 118 HB2 SER 15 HB2 SER 15 5.090 -3.816 9.732 119 HB3 SER 15 HB3 SER 15 6.806 -4.100 9.426 120 HG SER 15 HG SER 15 7.042 -1.938 8.913 121 H GLU 16 H GLU 16 3.349 -4.613 8.346 122 HA GLU 16 HA GLU 16 1.703 -3.587 6.377 123 HB2 GLU 16 HB2 GLU 16 1.059 -4.274 9.243 124 HB3 GLU 16 HB3 GLU 16 -0.149 -3.906 8.019 125 HG2 GLU 16 HG2 GLU 16 0.556 -5.825 6.707 126 HG3 GLU 16 HG3 GLU 16 1.829 -6.176 7.872 127 H GLY 17 H GLY 17 2.569 -2.138 9.486 128 HA2 GLY 17 HA2 GLY 17 0.927 0.132 9.354 129 HA3 GLY 17 HA3 GLY 17 2.426 0.013 10.262 130 H GLU 18 H GLU 18 4.234 -0.372 8.227 131 HA GLU 18 HA GLU 18 4.732 2.266 7.363 132 HB2 GLU 18 HB2 GLU 18 5.924 -0.336 6.389 133 HB3 GLU 18 HB3 GLU 18 6.557 1.261 6.023 134 HG2 GLU 18 HG2 GLU 18 7.044 1.636 8.356 135 HG3 GLU 18 HG3 GLU 18 6.319 0.085 8.778 136 H CYS 19 H CYS 19 3.727 -0.645 5.599 137 HA CYS 19 HA CYS 19 3.450 0.607 3.125 138 HB2 CYS 19 HB2 CYS 19 2.165 -1.905 4.186 139 HB3 CYS 19 HB3 CYS 19 1.941 -1.346 2.538 140 H LYS 20 H LYS 20 0.933 0.049 5.664 141 HA LYS 20 HA LYS 20 -1.050 1.111 3.983 142 HB2 LYS 20 HB2 LYS 20 -2.570 1.093 5.849 143 HB3 LYS 20 HB3 LYS 20 -1.645 -0.391 5.839 144 HG2 LYS 20 HG2 LYS 20 -0.176 0.750 7.609 145 HG3 LYS 20 HG3 LYS 20 -1.497 1.916 7.742 146 HD2 LYS 20 HD2 LYS 20 -1.760 -1.085 8.107 147 HD3 LYS 20 HD3 LYS 20 -1.690 0.088 9.409 148 HE2 LYS 20 HE2 LYS 20 -3.826 0.195 7.284 149 HE3 LYS 20 HE3 LYS 20 -3.992 -0.807 8.716 150 HZ1 LYS 20 HZ1 LYS 20 -3.643 2.176 8.746 151 HZ2 LYS 20 HZ2 LYS 20 -3.767 1.161 10.073 152 HZ3 LYS 20 HZ3 LYS 20 -5.071 1.317 9.043 153 H LYS 21 H LYS 21 1.083 2.674 6.298 154 HA LYS 21 HA LYS 21 -0.277 5.134 5.983 155 HB2 LYS 21 HB2 LYS 21 1.074 4.921 7.944 156 HB3 LYS 21 HB3 LYS 21 2.520 4.587 6.996 157 HG2 LYS 21 HG2 LYS 21 2.694 6.788 6.280 158 HG3 LYS 21 HG3 LYS 21 1.027 7.158 6.682 159 HD2 LYS 21 HD2 LYS 21 1.582 7.012 9.054 160 HD3 LYS 21 HD3 LYS 21 3.254 6.620 8.640 161 HE2 LYS 21 HE2 LYS 21 2.853 9.031 9.221 162 HE3 LYS 21 HE3 LYS 21 3.599 8.761 7.650 163 HZ1 LYS 21 HZ1 LYS 21 1.575 9.244 6.548 164 HZ2 LYS 21 HZ2 LYS 21 1.716 10.451 7.728 165 HZ3 LYS 21 HZ3 LYS 21 0.662 9.178 7.955 166 H ALA 22 H ALA 22 2.385 3.647 4.256 167 HA ALA 22 HA ALA 22 3.064 5.870 2.664 168 HB1 ALA 22 HB1 ALA 22 4.105 4.232 1.171 169 HB2 ALA 22 HB2 ALA 22 3.270 2.930 2.017 170 HB3 ALA 22 HB3 ALA 22 4.487 3.890 2.858 171 H CYS 23 H CYS 23 0.852 3.170 2.121 172 HA CYS 23 HA CYS 23 -0.153 3.924 -0.370 173 HB2 CYS 23 HB2 CYS 23 -1.555 2.502 1.897 174 HB3 CYS 23 HB3 CYS 23 -2.143 2.580 0.241 175 H ALA 24 H ALA 24 -1.151 4.818 2.901 176 HA ALA 24 HA ALA 24 -3.388 6.325 2.195 177 HB1 ALA 24 HB1 ALA 24 -2.906 5.555 4.456 178 HB2 ALA 24 HB2 ALA 24 -3.205 7.296 4.400 179 HB3 ALA 24 HB3 ALA 24 -1.555 6.685 4.550 180 H ASP 25 H ASP 25 -0.119 7.456 3.069 181 HA ASP 25 HA ASP 25 -0.594 10.153 2.564 182 HB2 ASP 25 HB2 ASP 25 2.012 8.639 2.527 183 HB3 ASP 25 HB3 ASP 25 1.913 10.381 2.330 184 H ALA 26 H ALA 26 0.553 7.669 0.369 185 HA ALA 26 HA ALA 26 1.088 9.543 -1.706 186 HB1 ALA 26 HB1 ALA 26 1.498 7.618 -3.111 187 HB2 ALA 26 HB2 ALA 26 0.771 6.555 -1.907 188 HB3 ALA 26 HB3 ALA 26 2.273 7.402 -1.540 189 H PHE 27 H PHE 27 -1.837 8.019 -0.638 190 HA PHE 27 HA PHE 27 -2.968 8.694 -3.257 191 HB2 PHE 27 HB2 PHE 27 -3.653 6.380 -1.493 192 HB3 PHE 27 HB3 PHE 27 -4.812 6.987 -2.673 193 HD1 PHE 27 HD1 PHE 27 -4.079 7.160 -5.075 194 HD2 PHE 27 HD2 PHE 27 -1.901 4.893 -2.183 195 HE1 PHE 27 HE1 PHE 27 -3.000 5.914 -6.864 196 HE2 PHE 27 HE2 PHE 27 -0.841 3.637 -3.976 197 HZ PHE 27 HZ PHE 27 -1.368 4.141 -6.327 198 H ALA 28 H ALA 28 -3.805 8.641 0.166 199 HA ALA 28 HA ALA 28 -5.941 10.556 -0.467 200 HB1 ALA 28 HB1 ALA 28 -6.999 9.844 1.605 201 HB2 ALA 28 HB2 ALA 28 -5.665 8.733 1.917 202 HB3 ALA 28 HB3 ALA 28 -6.730 8.468 0.536 203 H ASN 29 H ASN 29 -2.923 10.611 0.293 204 HA ASN 29 HA ASN 29 -1.476 12.087 1.182 205 HB2 ASN 29 HB2 ASN 29 -3.930 13.822 1.382 206 HB3 ASN 29 HB3 ASN 29 -2.318 14.389 1.789 207 HD21 ASN 29 HD21 ASN 29 -0.809 14.653 0.141 208 HD22 ASN 29 HD22 ASN 29 -1.302 14.766 -1.513 209 H GLY 30 H GLY 30 -2.923 10.208 2.967 210 HA2 GLY 30 HA2 GLY 30 -1.629 10.219 5.188 211 HA3 GLY 30 HA3 GLY 30 -2.533 11.697 5.471 212 H ASP 31 H ASP 31 -4.928 10.624 4.153 213 HA ASP 31 HA ASP 31 -5.952 9.275 6.472 214 HB2 ASP 31 HB2 ASP 31 -7.386 10.895 5.357 215 HB3 ASP 31 HB3 ASP 31 -7.323 9.953 3.870 216 H GLN 32 H GLN 32 -5.994 7.210 6.837 217 HA GLN 32 HA GLN 32 -5.104 5.455 4.700 218 HB2 GLN 32 HB2 GLN 32 -5.579 4.649 7.556 219 HB3 GLN 32 HB3 GLN 32 -4.523 3.894 6.374 220 HG2 GLN 32 HG2 GLN 32 -3.165 6.054 6.457 221 HG3 GLN 32 HG3 GLN 32 -4.115 6.455 7.880 222 HE21 GLN 32 HE21 GLN 32 -1.314 6.051 7.727 223 HE22 GLN 32 HE22 GLN 32 -0.936 4.723 8.770 224 H SER 33 H SER 33 -8.006 6.520 5.690 225 HA SER 33 HA SER 33 -9.477 4.147 6.133 226 HB2 SER 33 HB2 SER 33 -10.490 6.823 5.189 227 HB3 SER 33 HB3 SER 33 -11.423 5.560 6.000 228 HG SER 33 HG SER 33 -9.723 7.443 7.002 229 H LYS 34 H LYS 34 -8.285 5.554 3.286 230 HA LYS 34 HA LYS 34 -10.238 4.303 1.525 231 HB2 LYS 34 HB2 LYS 34 -7.648 5.731 0.885 232 HB3 LYS 34 HB3 LYS 34 -8.852 5.223 -0.290 233 HG2 LYS 34 HG2 LYS 34 -9.315 7.214 1.912 234 HG3 LYS 34 HG3 LYS 34 -8.959 7.627 0.234 235 HD2 LYS 34 HD2 LYS 34 -11.007 6.514 -0.488 236 HD3 LYS 34 HD3 LYS 34 -11.346 6.027 1.173 237 HE2 LYS 34 HE2 LYS 34 -12.665 7.979 0.523 238 HE3 LYS 34 HE3 LYS 34 -11.558 8.350 1.835 239 HZ1 LYS 34 HZ1 LYS 34 -11.615 10.082 0.137 240 HZ2 LYS 34 HZ2 LYS 34 -11.044 9.010 -1.027 241 HZ3 LYS 34 HZ3 LYS 34 -10.086 9.427 0.284 242 H ILE 35 H ILE 35 -7.530 3.373 3.206 243 HA ILE 35 HA ILE 35 -6.815 1.281 1.274 244 HB ILE 35 HB ILE 35 -5.182 2.381 3.584 245 HG12 ILE 35 HG12 ILE 35 -5.395 4.105 1.870 246 HG13 ILE 35 HG13 ILE 35 -3.757 3.473 1.882 247 HG21 ILE 35 HG21 ILE 35 -4.623 0.082 3.062 248 HG22 ILE 35 HG22 ILE 35 -3.308 1.157 2.586 249 HG23 ILE 35 HG23 ILE 35 -4.397 0.501 1.363 250 HD11 ILE 35 HD11 ILE 35 -4.510 3.836 -0.382 251 HD12 ILE 35 HD12 ILE 35 -5.924 2.822 -0.107 252 HD13 ILE 35 HD13 ILE 35 -4.313 2.104 -0.099 253 H ALA 36 H ALA 36 -7.798 -0.557 1.862 254 HA ALA 36 HA ALA 36 -8.756 -0.953 4.561 255 HB1 ALA 36 HB1 ALA 36 -10.052 -1.770 2.641 256 HB2 ALA 36 HB2 ALA 36 -9.629 -3.082 3.741 257 HB3 ALA 36 HB3 ALA 36 -8.739 -2.873 2.232 258 H LYS 37 H LYS 37 -6.204 -2.162 2.546 259 HA LYS 37 HA LYS 37 -4.789 -3.233 4.808 260 HB2 LYS 37 HB2 LYS 37 -6.179 -5.133 4.181 261 HB3 LYS 37 HB3 LYS 37 -5.797 -4.911 2.488 262 HG2 LYS 37 HG2 LYS 37 -4.623 -6.824 3.339 263 HG3 LYS 37 HG3 LYS 37 -3.467 -5.551 2.961 264 HD2 LYS 37 HD2 LYS 37 -3.434 -4.944 5.361 265 HD3 LYS 37 HD3 LYS 37 -4.487 -6.316 5.694 266 HE2 LYS 37 HE2 LYS 37 -1.748 -6.441 4.446 267 HE3 LYS 37 HE3 LYS 37 -2.131 -6.853 6.109 268 HZ1 LYS 37 HZ1 LYS 37 -3.433 -8.716 5.368 269 HZ2 LYS 37 HZ2 LYS 37 -1.939 -8.798 4.543 270 HZ3 LYS 37 HZ3 LYS 37 -3.296 -8.248 3.750 271 H ALA 38 H ALA 38 -2.563 -3.431 4.272 272 HA ALA 38 HA ALA 38 -1.725 -3.024 1.547 273 HB1 ALA 38 HB1 ALA 38 -0.792 -1.272 3.820 274 HB2 ALA 38 HB2 ALA 38 -1.829 -0.764 2.487 275 HB3 ALA 38 HB3 ALA 38 -0.165 -1.254 2.169 276 H GLU 39 H GLU 39 -0.077 -4.336 1.154 277 HA GLU 39 HA GLU 39 1.492 -5.382 3.418 278 HB2 GLU 39 HB2 GLU 39 -0.566 -6.833 2.956 279 HB3 GLU 39 HB3 GLU 39 0.156 -7.191 1.405 280 HG2 GLU 39 HG2 GLU 39 2.052 -8.232 2.490 281 HG3 GLU 39 HG3 GLU 39 1.393 -7.821 4.072 282 H ASN 40 H ASN 40 3.321 -6.816 2.475 283 HA ASN 40 HA ASN 40 4.709 -5.341 0.507 284 HB2 ASN 40 HB2 ASN 40 5.910 -6.666 2.183 285 HB3 ASN 40 HB3 ASN 40 5.225 -8.146 1.518 286 HD21 ASN 40 HD21 ASN 40 7.554 -5.624 1.060 287 HD22 ASN 40 HD22 ASN 40 8.429 -6.377 -0.213 288 H PHE 41 H PHE 41 4.696 -5.435 -1.583 289 HA PHE 41 HA PHE 41 3.053 -7.442 -2.952 290 HB2 PHE 41 HB2 PHE 41 2.583 -5.063 -3.437 291 HB3 PHE 41 HB3 PHE 41 4.253 -4.836 -3.896 292 HD1 PHE 41 HD1 PHE 41 4.961 -5.176 -6.101 293 HD2 PHE 41 HD2 PHE 41 1.166 -6.675 -4.863 294 HE1 PHE 41 HE1 PHE 41 4.422 -5.734 -8.428 295 HE2 PHE 41 HE2 PHE 41 0.632 -7.228 -7.183 296 HZ PHE 41 HZ PHE 41 2.250 -6.765 -8.974 297 H LYS 42 H LYS 42 6.262 -6.004 -2.885 298 HA LYS 42 HA LYS 42 7.549 -8.250 -4.032 299 HB2 LYS 42 HB2 LYS 42 6.478 -6.986 -6.007 300 HB3 LYS 42 HB3 LYS 42 7.490 -5.628 -5.583 301 HG2 LYS 42 HG2 LYS 42 9.474 -6.999 -6.041 302 HG3 LYS 42 HG3 LYS 42 8.417 -8.334 -6.531 303 HD2 LYS 42 HD2 LYS 42 7.390 -6.704 -8.188 304 HD3 LYS 42 HD3 LYS 42 8.725 -5.625 -7.815 305 HE2 LYS 42 HE2 LYS 42 8.987 -8.423 -8.923 306 HE3 LYS 42 HE3 LYS 42 9.116 -6.945 -9.860 307 HZ1 LYS 42 HZ1 LYS 42 10.968 -7.763 -7.671 308 HZ2 LYS 42 HZ2 LYS 42 11.099 -6.356 -8.597 309 HZ3 LYS 42 HZ3 LYS 42 11.260 -7.852 -9.321 310 H ASP 43 H ASP 43 9.974 -7.430 -4.178 311 HA ASP 43 HA ASP 43 10.633 -6.179 -1.757 312 HB2 ASP 43 HB2 ASP 43 12.306 -6.583 -4.243 313 HB3 ASP 43 HB3 ASP 43 12.940 -6.053 -2.688 314 H TYR 44 H TYR 44 10.509 -4.183 -1.213 315 HA TYR 44 HA TYR 44 10.466 -1.955 -1.194 316 HB2 TYR 44 HB2 TYR 44 11.786 -2.193 -3.913 317 HB3 TYR 44 HB3 TYR 44 11.475 -0.639 -3.143 318 HD1 TYR 44 HD1 TYR 44 12.778 0.057 -1.239 319 HD2 TYR 44 HD2 TYR 44 13.524 -3.692 -3.080 320 HE1 TYR 44 HE1 TYR 44 14.886 -0.105 -0.012 321 HE2 TYR 44 HE2 TYR 44 15.646 -3.882 -1.856 322 HH TYR 44 HH TYR 44 16.401 -1.999 0.787 323 H TYR 45 H TYR 45 8.270 -3.628 -2.235 324 HA TYR 45 HA TYR 45 6.643 -1.396 -3.251 325 HB2 TYR 45 HB2 TYR 45 6.714 -4.186 -4.383 326 HB3 TYR 45 HB3 TYR 45 5.346 -3.112 -4.590 327 HD1 TYR 45 HD1 TYR 45 8.670 -3.979 -5.753 328 HD2 TYR 45 HD2 TYR 45 5.610 -1.039 -5.904 329 HE1 TYR 45 HE1 TYR 45 9.648 -3.056 -7.792 330 HE2 TYR 45 HE2 TYR 45 6.598 -0.103 -7.933 331 HH TYR 45 HH TYR 45 8.955 -1.752 -9.713 332 H CYS 46 H CYS 46 4.690 -1.265 -2.477 333 HA CYS 46 HA CYS 46 3.769 -3.394 -0.681 334 HB2 CYS 46 HB2 CYS 46 3.301 -0.410 -0.436 335 HB3 CYS 46 HB3 CYS 46 2.510 -1.624 0.564 336 H ASN 47 H ASN 47 1.784 -4.140 -1.022 337 HA ASN 47 HA ASN 47 0.350 -3.233 -3.389 338 HB2 ASN 47 HB2 ASN 47 0.783 -5.704 -3.004 339 HB3 ASN 47 HB3 ASN 47 -0.201 -5.585 -1.557 340 HD21 ASN 47 HD21 ASN 47 -2.456 -5.537 -1.753 341 HD22 ASN 47 HD22 ASN 47 -3.247 -5.803 -3.229 342 H CYS 48 H CYS 48 -0.965 -1.627 -2.994 343 HA CYS 48 HA CYS 48 -2.174 -1.313 -0.395 344 HB2 CYS 48 HB2 CYS 48 -2.377 0.454 -2.861 345 HB3 CYS 48 HB3 CYS 48 -2.825 0.843 -1.197 346 H HIS 49 H HIS 49 -4.273 -1.647 -0.015 347 HA HIS 49 HA HIS 49 -5.859 -2.778 -2.181 348 HB2 HIS 49 HB2 HIS 49 -6.085 -3.061 0.832 349 HB3 HIS 49 HB3 HIS 49 -7.217 -3.745 -0.322 350 HD1 HIS 49 HD3 HIS 49 -6.826 -6.109 -0.673 351 HD2 HIS 49 HD2 HIS 49 -3.313 -4.121 0.223 352 HE1 HIS 49 HE1 HIS 49 -5.014 -7.899 -0.611 353 H ILE 50 H ILE 50 -6.691 -1.005 -2.996 354 HA ILE 50 HA ILE 50 -7.533 1.095 -1.198 355 HB ILE 50 HB ILE 50 -7.640 1.143 -4.229 356 HG12 ILE 50 HG12 ILE 50 -5.409 2.075 -2.390 357 HG13 ILE 50 HG13 ILE 50 -5.334 0.647 -3.413 358 HG21 ILE 50 HG21 ILE 50 -8.957 2.843 -3.017 359 HG22 ILE 50 HG22 ILE 50 -7.555 3.589 -3.821 360 HG23 ILE 50 HG23 ILE 50 -7.510 3.239 -2.085 361 HD11 ILE 50 HD11 ILE 50 -5.587 3.495 -4.363 362 HD12 ILE 50 HD12 ILE 50 -5.506 2.059 -5.389 363 HD13 ILE 50 HD13 ILE 50 -4.125 2.505 -4.389 364 H ILE 51 H ILE 51 -9.506 1.397 -0.630 365 HA ILE 51 HA ILE 51 -11.596 -0.380 -1.498 366 HB ILE 51 HB ILE 51 -11.822 2.045 0.324 367 HG12 ILE 51 HG12 ILE 51 -11.317 -0.826 1.135 368 HG13 ILE 51 HG13 ILE 51 -10.089 0.434 1.131 369 HG21 ILE 51 HG21 ILE 51 -13.518 -0.444 0.103 370 HG22 ILE 51 HG22 ILE 51 -13.933 1.137 -0.545 371 HG23 ILE 51 HG23 ILE 51 -13.800 0.910 1.203 372 HD11 ILE 51 HD11 ILE 51 -10.960 0.050 3.374 373 HD12 ILE 51 HD12 ILE 51 -12.590 0.417 2.811 374 HD13 ILE 51 HD13 ILE 51 -11.355 1.672 2.813 375 H ILE 52 H ILE 52 -12.445 0.120 -3.469 376 HA ILE 52 HA ILE 52 -12.727 2.945 -4.127 377 HB ILE 52 HB ILE 52 -12.956 0.539 -5.969 378 HG12 ILE 52 HG12 ILE 52 -10.793 2.646 -5.669 379 HG13 ILE 52 HG13 ILE 52 -10.671 0.963 -5.179 380 HG21 ILE 52 HG21 ILE 52 -14.390 2.385 -6.717 381 HG22 ILE 52 HG22 ILE 52 -13.003 2.214 -7.793 382 HG23 ILE 52 HG23 ILE 52 -13.033 3.503 -6.593 383 HD11 ILE 52 HD11 ILE 52 -9.499 1.414 -7.275 384 HD12 ILE 52 HD12 ILE 52 -11.025 1.929 -8.006 385 HD13 ILE 52 HD13 ILE 52 -10.812 0.258 -7.486 386 H HIS 53 H HIS 53 -14.652 -0.050 -4.354 387 HA HIS 53 HA HIS 53 -16.947 1.673 -3.865 388 HB2 HIS 53 HB2 HIS 53 -16.870 0.960 -6.256 389 HB3 HIS 53 HB3 HIS 53 -16.926 -0.716 -5.734 390 HD1 HIS 53 HD3 HIS 53 -19.106 2.410 -5.777 391 HD2 HIS 53 HD2 HIS 53 -19.417 -1.700 -5.256 392 HE1 HIS 53 HE1 HIS 53 -21.566 1.897 -5.712 Start of MODEL 3 1 H1 GLU 1 1HT GLU 1 -15.086 -3.777 -2.644 2 H2 GLU 1 2HT GLU 1 -14.020 -4.762 -1.798 3 H3 GLU 1 3HT GLU 1 -15.233 -5.477 -2.736 4 HA GLU 1 HA GLU 1 -13.043 -5.655 -3.660 5 HB2 GLU 1 HB2 GLU 1 -13.509 -4.902 -5.915 6 HB3 GLU 1 HB3 GLU 1 -15.022 -5.457 -5.234 7 HG2 GLU 1 HG2 GLU 1 -15.654 -3.134 -4.795 8 HG3 GLU 1 HG3 GLU 1 -14.115 -2.627 -5.471 9 H GLU 2 H GLU 2 -11.105 -4.794 -3.979 10 HA GLU 2 HA GLU 2 -10.859 -1.914 -3.645 11 HB2 GLU 2 HB2 GLU 2 -9.085 -3.963 -2.292 12 HB3 GLU 2 HB3 GLU 2 -8.801 -2.236 -2.317 13 HG2 GLU 2 HG2 GLU 2 -9.698 -2.516 -0.217 14 HG3 GLU 2 HG3 GLU 2 -11.134 -2.120 -1.152 15 H THR 3 H THR 3 -9.170 -1.006 -4.773 16 HA THR 3 HA THR 3 -8.234 -2.488 -7.054 17 HB THR 3 HB THR 3 -7.409 0.255 -6.060 18 HG1 THR 3 HG1 THR 3 -9.412 -0.443 -7.943 19 HG21 THR 3 HG21 THR 3 -7.316 -0.970 -8.825 20 HG22 THR 3 HG22 THR 3 -5.924 -0.688 -7.780 21 HG23 THR 3 HG23 THR 3 -6.841 0.679 -8.417 22 H GLU 4 H GLU 4 -6.416 -3.717 -6.993 23 HA GLU 4 HA GLU 4 -4.610 -3.505 -4.755 24 HB2 GLU 4 HB2 GLU 4 -4.638 -5.366 -7.147 25 HB3 GLU 4 HB3 GLU 4 -3.466 -5.444 -5.842 26 HG2 GLU 4 HG2 GLU 4 -5.250 -5.946 -4.256 27 HG3 GLU 4 HG3 GLU 4 -6.436 -5.839 -5.557 28 H GLU 5 H GLU 5 -3.524 -1.708 -4.948 29 HA GLU 5 HA GLU 5 -2.195 -1.111 -7.500 30 HB2 GLU 5 HB2 GLU 5 -3.859 0.539 -6.500 31 HB3 GLU 5 HB3 GLU 5 -2.717 0.753 -5.190 32 HG2 GLU 5 HG2 GLU 5 -2.500 2.542 -6.773 33 HG3 GLU 5 HG3 GLU 5 -1.041 1.550 -6.786 34 HA PRO 6 HA PRO 6 1.318 -2.165 -4.807 35 HB2 PRO 6 HB2 PRO 6 2.868 -2.602 -7.180 36 HB3 PRO 6 HB3 PRO 6 2.291 -3.798 -6.018 37 HG2 PRO 6 HG2 PRO 6 1.383 -3.622 -8.613 38 HG3 PRO 6 HG3 PRO 6 0.449 -4.322 -7.283 39 HD2 PRO 6 HD2 PRO 6 0.252 -1.603 -8.515 40 HD3 PRO 6 HD3 PRO 6 -1.035 -2.686 -7.932 41 H ILE 7 H ILE 7 2.090 -0.366 -4.034 42 HA ILE 7 HA ILE 7 3.102 1.763 -5.786 43 HB ILE 7 HB ILE 7 3.080 3.224 -3.820 44 HG12 ILE 7 HG12 ILE 7 2.249 0.880 -2.133 45 HG13 ILE 7 HG13 ILE 7 3.953 1.273 -2.325 46 HG21 ILE 7 HG21 ILE 7 0.674 1.523 -3.887 47 HG22 ILE 7 HG22 ILE 7 1.032 2.941 -4.886 48 HG23 ILE 7 HG23 ILE 7 0.862 3.102 -3.127 49 HD11 ILE 7 HD11 ILE 7 3.046 2.225 -0.310 50 HD12 ILE 7 HD12 ILE 7 1.831 3.097 -1.277 51 HD13 ILE 7 HD13 ILE 7 3.552 3.468 -1.461 52 H ARG 8 H ARG 8 5.095 2.808 -5.026 53 HA ARG 8 HA ARG 8 7.165 0.817 -4.601 54 HB2 ARG 8 HB2 ARG 8 7.311 3.779 -5.185 55 HB3 ARG 8 HB3 ARG 8 8.685 2.706 -4.990 56 HG2 ARG 8 HG2 ARG 8 8.064 1.462 -6.920 57 HG3 ARG 8 HG3 ARG 8 6.611 2.455 -7.144 58 HD2 ARG 8 HD2 ARG 8 8.487 3.135 -8.599 59 HD3 ARG 8 HD3 ARG 8 7.994 4.413 -7.487 60 HE ARG 8 HE ARG 8 10.030 2.937 -6.284 61 HH11 ARG 8 HH11 ARG 8 9.692 5.008 -9.153 62 HH12 ARG 8 HH12 ARG 8 11.222 5.710 -9.003 63 HH21 ARG 8 HH21 ARG 8 12.152 3.906 -6.065 64 HH22 ARG 8 HH22 ARG 8 12.681 5.061 -7.193 65 H HIS 9 H HIS 9 8.624 0.945 -2.885 66 HA HIS 9 HA HIS 9 8.142 2.915 -0.794 67 HB2 HIS 9 HB2 HIS 9 6.896 0.652 -0.423 68 HB3 HIS 9 HB3 HIS 9 8.497 -0.028 -0.184 69 HD1 HIS 9 HD3 HIS 9 9.406 0.133 2.141 70 HD2 HIS 9 HD2 HIS 9 6.168 2.647 1.512 71 HE1 HIS 9 HE1 HIS 9 8.823 1.171 4.419 72 H ALA 10 H ALA 10 10.130 3.160 0.539 73 HA ALA 10 HA ALA 10 12.464 2.568 -1.090 74 HB1 ALA 10 HB1 ALA 10 13.651 4.185 0.234 75 HB2 ALA 10 HB2 ALA 10 12.328 4.277 1.388 76 HB3 ALA 10 HB3 ALA 10 12.101 4.867 -0.261 77 H LYS 11 H LYS 11 11.039 1.538 1.840 78 HA LYS 11 HA LYS 11 13.408 0.069 2.600 79 HB2 LYS 11 HB2 LYS 11 10.610 0.175 3.748 80 HB3 LYS 11 HB3 LYS 11 11.883 -0.854 4.383 81 HG2 LYS 11 HG2 LYS 11 13.201 1.045 5.012 82 HG3 LYS 11 HG3 LYS 11 12.089 2.144 4.203 83 HD2 LYS 11 HD2 LYS 11 11.797 2.120 6.660 84 HD3 LYS 11 HD3 LYS 11 10.344 1.619 5.798 85 HE2 LYS 11 HE2 LYS 11 10.849 -0.708 6.262 86 HE3 LYS 11 HE3 LYS 11 12.359 -0.247 7.047 87 HZ1 LYS 11 HZ1 LYS 11 10.525 -0.708 8.612 88 HZ2 LYS 11 HZ2 LYS 11 9.666 0.624 8.007 89 HZ3 LYS 11 HZ3 LYS 11 11.150 0.840 8.760 90 H LYS 12 H LYS 12 13.796 -1.877 1.918 91 HA LYS 12 HA LYS 12 12.589 -3.032 -0.261 92 HB2 LYS 12 HB2 LYS 12 14.849 -3.523 0.416 93 HB3 LYS 12 HB3 LYS 12 14.278 -4.303 1.883 94 HG2 LYS 12 HG2 LYS 12 13.139 -5.993 0.471 95 HG3 LYS 12 HG3 LYS 12 13.887 -5.247 -0.943 96 HD2 LYS 12 HD2 LYS 12 16.083 -5.721 -0.080 97 HD3 LYS 12 HD3 LYS 12 15.392 -6.347 1.420 98 HE2 LYS 12 HE2 LYS 12 14.276 -8.111 0.167 99 HE3 LYS 12 HE3 LYS 12 14.966 -7.491 -1.330 100 HZ1 LYS 12 HZ1 LYS 12 16.507 -8.581 0.966 101 HZ2 LYS 12 HZ2 LYS 12 17.165 -7.981 -0.460 102 HZ3 LYS 12 HZ3 LYS 12 16.222 -9.365 -0.494 103 H ASN 13 H ASN 13 12.092 -3.791 3.130 104 HA ASN 13 HA ASN 13 9.789 -5.425 2.342 105 HB2 ASN 13 HB2 ASN 13 11.765 -6.151 4.522 106 HB3 ASN 13 HB3 ASN 13 10.215 -6.947 4.287 107 HD21 ASN 13 HD21 ASN 13 9.944 -8.297 2.463 108 HD22 ASN 13 HD22 ASN 13 11.310 -8.884 1.588 109 HA PRO 14 HA PRO 14 8.342 -2.379 5.297 110 HB2 PRO 14 HB2 PRO 14 5.993 -2.149 3.678 111 HB3 PRO 14 HB3 PRO 14 7.272 -0.958 3.904 112 HG2 PRO 14 HG2 PRO 14 6.773 -2.270 1.533 113 HG3 PRO 14 HG3 PRO 14 8.325 -1.543 1.972 114 HD2 PRO 14 HD2 PRO 14 7.456 -4.387 2.098 115 HD3 PRO 14 HD3 PRO 14 9.028 -3.688 1.639 116 H SER 15 H SER 15 6.892 -2.724 6.889 117 HA SER 15 HA SER 15 5.554 -5.246 6.959 118 HB2 SER 15 HB2 SER 15 5.560 -2.951 8.922 119 HB3 SER 15 HB3 SER 15 5.054 -4.610 9.262 120 HG SER 15 HG SER 15 7.302 -5.080 8.421 121 H GLU 16 H GLU 16 3.217 -5.190 7.765 122 HA GLU 16 HA GLU 16 1.593 -4.134 5.755 123 HB2 GLU 16 HB2 GLU 16 0.775 -5.076 8.504 124 HB3 GLU 16 HB3 GLU 16 -0.279 -4.943 7.098 125 HG2 GLU 16 HG2 GLU 16 0.963 -6.622 5.933 126 HG3 GLU 16 HG3 GLU 16 2.155 -6.705 7.217 127 H GLY 17 H GLY 17 2.234 -2.938 8.997 128 HA2 GLY 17 HA2 GLY 17 0.423 -0.753 8.882 129 HA3 GLY 17 HA3 GLY 17 1.782 -0.904 9.987 130 H GLU 18 H GLU 18 3.853 -1.099 8.137 131 HA GLU 18 HA GLU 18 4.541 1.554 7.522 132 HB2 GLU 18 HB2 GLU 18 5.502 -1.007 6.219 133 HB3 GLU 18 HB3 GLU 18 6.270 0.556 6.033 134 HG2 GLU 18 HG2 GLU 18 5.961 -0.851 8.666 135 HG3 GLU 18 HG3 GLU 18 7.376 -1.007 7.624 136 H CYS 19 H CYS 19 3.420 -1.074 5.449 137 HA CYS 19 HA CYS 19 3.236 0.379 3.104 138 HB2 CYS 19 HB2 CYS 19 1.777 -2.099 3.977 139 HB3 CYS 19 HB3 CYS 19 1.648 -1.428 2.361 140 H LYS 20 H LYS 20 0.634 -0.268 5.516 141 HA LYS 20 HA LYS 20 -1.344 1.053 4.015 142 HB2 LYS 20 HB2 LYS 20 -1.993 -0.380 5.867 143 HB3 LYS 20 HB3 LYS 20 -1.205 0.687 7.023 144 HG2 LYS 20 HG2 LYS 20 -2.810 2.452 6.512 145 HG3 LYS 20 HG3 LYS 20 -3.569 1.432 5.298 146 HD2 LYS 20 HD2 LYS 20 -3.416 0.736 8.232 147 HD3 LYS 20 HD3 LYS 20 -4.786 1.560 7.490 148 HE2 LYS 20 HE2 LYS 20 -5.054 -0.379 5.960 149 HE3 LYS 20 HE3 LYS 20 -3.750 -1.192 6.819 150 HZ1 LYS 20 HZ1 LYS 20 -5.079 -1.181 8.817 151 HZ2 LYS 20 HZ2 LYS 20 -5.981 -1.860 7.550 152 HZ3 LYS 20 HZ3 LYS 20 -6.284 -0.294 8.050 153 H LYS 21 H LYS 21 0.933 2.299 6.366 154 HA LYS 21 HA LYS 21 -0.105 4.916 6.432 155 HB2 LYS 21 HB2 LYS 21 1.404 4.040 8.151 156 HB3 LYS 21 HB3 LYS 21 2.693 3.893 6.971 157 HG2 LYS 21 HG2 LYS 21 3.010 5.828 8.406 158 HG3 LYS 21 HG3 LYS 21 2.764 6.309 6.728 159 HD2 LYS 21 HD2 LYS 21 0.428 6.850 7.219 160 HD3 LYS 21 HD3 LYS 21 0.657 6.346 8.895 161 HE2 LYS 21 HE2 LYS 21 0.781 8.792 8.623 162 HE3 LYS 21 HE3 LYS 21 2.292 8.109 9.225 163 HZ1 LYS 21 HZ1 LYS 21 1.752 8.840 6.389 164 HZ2 LYS 21 HZ2 LYS 21 3.203 8.240 7.004 165 HZ3 LYS 21 HZ3 LYS 21 2.666 9.749 7.472 166 H ALA 22 H ALA 22 2.519 3.448 4.526 167 HA ALA 22 HA ALA 22 3.236 5.752 3.092 168 HB1 ALA 22 HB1 ALA 22 4.381 4.239 1.566 169 HB2 ALA 22 HB2 ALA 22 3.504 2.870 2.249 170 HB3 ALA 22 HB3 ALA 22 4.659 3.762 3.242 171 H CYS 23 H CYS 23 1.060 3.092 2.244 172 HA CYS 23 HA CYS 23 0.230 3.992 -0.274 173 HB2 CYS 23 HB2 CYS 23 -1.347 2.434 1.775 174 HB3 CYS 23 HB3 CYS 23 -1.807 2.622 0.091 175 H ALA 24 H ALA 24 -0.979 4.797 2.948 176 HA ALA 24 HA ALA 24 -3.205 6.272 2.145 177 HB1 ALA 24 HB1 ALA 24 -2.813 5.540 4.433 178 HB2 ALA 24 HB2 ALA 24 -3.079 7.285 4.359 179 HB3 ALA 24 HB3 ALA 24 -1.446 6.645 4.564 180 H ASP 25 H ASP 25 0.006 7.429 3.147 181 HA ASP 25 HA ASP 25 -0.328 10.103 2.462 182 HB2 ASP 25 HB2 ASP 25 2.128 8.398 2.674 183 HB3 ASP 25 HB3 ASP 25 2.236 10.086 2.199 184 H ALA 26 H ALA 26 0.669 7.435 0.468 185 HA ALA 26 HA ALA 26 1.496 9.015 -1.729 186 HB1 ALA 26 HB1 ALA 26 0.729 6.106 -1.697 187 HB2 ALA 26 HB2 ALA 26 2.330 6.745 -1.329 188 HB3 ALA 26 HB3 ALA 26 1.660 6.932 -2.949 189 H PHE 27 H PHE 27 -1.661 7.983 -0.695 190 HA PHE 27 HA PHE 27 -2.620 8.790 -3.348 191 HB2 PHE 27 HB2 PHE 27 -3.563 6.459 -1.719 192 HB3 PHE 27 HB3 PHE 27 -4.564 7.191 -2.970 193 HD1 PHE 27 HD1 PHE 27 -1.907 4.844 -2.313 194 HD2 PHE 27 HD2 PHE 27 -3.605 7.395 -5.282 195 HE1 PHE 27 HE1 PHE 27 -0.806 3.565 -4.050 196 HE2 PHE 27 HE2 PHE 27 -2.476 6.118 -7.022 197 HZ PHE 27 HZ PHE 27 -1.070 4.187 -6.416 198 H ALA 28 H ALA 28 -3.716 8.401 -0.013 199 HA ALA 28 HA ALA 28 -5.774 10.417 -0.540 200 HB1 ALA 28 HB1 ALA 28 -5.473 8.554 1.814 201 HB2 ALA 28 HB2 ALA 28 -6.508 8.274 0.415 202 HB3 ALA 28 HB3 ALA 28 -6.838 9.627 1.497 203 H ASN 29 H ASN 29 -2.773 10.594 0.127 204 HA ASN 29 HA ASN 29 -1.404 12.181 0.972 205 HB2 ASN 29 HB2 ASN 29 -4.020 13.614 1.141 206 HB3 ASN 29 HB3 ASN 29 -2.577 14.351 1.823 207 HD21 ASN 29 HD21 ASN 29 -1.012 15.117 0.474 208 HD22 ASN 29 HD22 ASN 29 -1.210 15.237 -1.229 209 H GLY 30 H GLY 30 -2.703 10.163 2.793 210 HA2 GLY 30 HA2 GLY 30 -1.339 10.054 4.932 211 HA3 GLY 30 HA3 GLY 30 -2.125 11.582 5.306 212 H ASP 31 H ASP 31 -4.647 10.736 4.084 213 HA ASP 31 HA ASP 31 -5.743 9.484 6.400 214 HB2 ASP 31 HB2 ASP 31 -7.156 11.051 5.217 215 HB3 ASP 31 HB3 ASP 31 -7.025 10.109 3.733 216 H GLN 32 H GLN 32 -6.136 7.446 6.815 217 HA GLN 32 HA GLN 32 -5.234 5.506 4.819 218 HB2 GLN 32 HB2 GLN 32 -5.763 5.050 7.741 219 HB3 GLN 32 HB3 GLN 32 -4.857 4.021 6.638 220 HG2 GLN 32 HG2 GLN 32 -3.184 5.856 6.417 221 HG3 GLN 32 HG3 GLN 32 -4.069 6.732 7.662 222 HE21 GLN 32 HE21 GLN 32 -1.999 4.120 6.955 223 HE22 GLN 32 HE22 GLN 32 -1.660 3.672 8.590 224 H SER 33 H SER 33 -8.095 6.830 5.382 225 HA SER 33 HA SER 33 -9.623 4.524 6.171 226 HB2 SER 33 HB2 SER 33 -10.633 7.188 5.195 227 HB3 SER 33 HB3 SER 33 -11.475 6.011 6.209 228 HG SER 33 HG SER 33 -9.555 7.871 6.821 229 H LYS 34 H LYS 34 -8.493 5.855 3.290 230 HA LYS 34 HA LYS 34 -10.517 4.524 1.647 231 HB2 LYS 34 HB2 LYS 34 -8.187 6.288 0.877 232 HB3 LYS 34 HB3 LYS 34 -9.335 5.592 -0.261 233 HG2 LYS 34 HG2 LYS 34 -11.155 6.824 0.838 234 HG3 LYS 34 HG3 LYS 34 -9.982 7.515 1.959 235 HD2 LYS 34 HD2 LYS 34 -10.505 9.112 0.188 236 HD3 LYS 34 HD3 LYS 34 -8.826 8.595 0.070 237 HE2 LYS 34 HE2 LYS 34 -9.827 8.685 -2.140 238 HE3 LYS 34 HE3 LYS 34 -9.473 7.015 -1.727 239 HZ1 LYS 34 HZ1 LYS 34 -12.124 8.329 -1.595 240 HZ2 LYS 34 HZ2 LYS 34 -11.819 6.720 -1.175 241 HZ3 LYS 34 HZ3 LYS 34 -11.611 7.227 -2.757 242 H ILE 35 H ILE 35 -7.843 3.703 3.201 243 HA ILE 35 HA ILE 35 -6.929 1.763 1.184 244 HB ILE 35 HB ILE 35 -5.478 2.688 3.688 245 HG12 ILE 35 HG12 ILE 35 -5.588 4.554 2.096 246 HG13 ILE 35 HG13 ILE 35 -3.946 3.941 2.214 247 HG21 ILE 35 HG21 ILE 35 -4.514 1.006 1.376 248 HG22 ILE 35 HG22 ILE 35 -4.857 0.444 3.008 249 HG23 ILE 35 HG23 ILE 35 -3.518 1.557 2.726 250 HD11 ILE 35 HD11 ILE 35 -5.899 3.384 -0.010 251 HD12 ILE 35 HD12 ILE 35 -4.262 2.740 0.102 252 HD13 ILE 35 HD13 ILE 35 -4.515 4.476 -0.079 253 H ALA 36 H ALA 36 -7.885 -0.145 1.582 254 HA ALA 36 HA ALA 36 -9.104 -0.789 4.092 255 HB1 ALA 36 HB1 ALA 36 -9.937 -1.732 1.986 256 HB2 ALA 36 HB2 ALA 36 -9.474 -3.010 3.112 257 HB3 ALA 36 HB3 ALA 36 -8.415 -2.595 1.766 258 H LYS 37 H LYS 37 -6.393 -2.239 2.364 259 HA LYS 37 HA LYS 37 -4.884 -2.401 4.792 260 HB2 LYS 37 HB2 LYS 37 -6.162 -4.614 4.614 261 HB3 LYS 37 HB3 LYS 37 -5.329 -4.891 3.087 262 HG2 LYS 37 HG2 LYS 37 -3.166 -4.675 4.322 263 HG3 LYS 37 HG3 LYS 37 -4.092 -4.630 5.817 264 HD2 LYS 37 HD2 LYS 37 -4.903 -6.889 5.349 265 HD3 LYS 37 HD3 LYS 37 -3.985 -6.897 3.832 266 HE2 LYS 37 HE2 LYS 37 -1.921 -6.496 5.101 267 HE3 LYS 37 HE3 LYS 37 -2.840 -6.551 6.596 268 HZ1 LYS 37 HZ1 LYS 37 -3.396 -8.884 6.067 269 HZ2 LYS 37 HZ2 LYS 37 -1.741 -8.566 6.231 270 HZ3 LYS 37 HZ3 LYS 37 -2.367 -8.790 4.702 271 H ALA 38 H ALA 38 -2.633 -2.951 4.180 272 HA ALA 38 HA ALA 38 -2.007 -2.930 1.382 273 HB1 ALA 38 HB1 ALA 38 -0.882 -0.945 3.344 274 HB2 ALA 38 HB2 ALA 38 -2.003 -0.572 2.035 275 HB3 ALA 38 HB3 ALA 38 -0.377 -1.145 1.665 276 H GLU 39 H GLU 39 -0.588 -4.481 1.140 277 HA GLU 39 HA GLU 39 0.947 -5.327 3.525 278 HB2 GLU 39 HB2 GLU 39 -1.002 -6.831 2.926 279 HB3 GLU 39 HB3 GLU 39 -0.200 -7.162 1.403 280 HG2 GLU 39 HG2 GLU 39 1.690 -8.144 2.634 281 HG3 GLU 39 HG3 GLU 39 0.851 -7.828 4.150 282 H ASN 40 H ASN 40 2.985 -6.497 2.940 283 HA ASN 40 HA ASN 40 4.441 -5.123 0.947 284 HB2 ASN 40 HB2 ASN 40 5.562 -6.113 2.910 285 HB3 ASN 40 HB3 ASN 40 5.097 -7.721 2.378 286 HD21 ASN 40 HD21 ASN 40 6.340 -5.175 0.179 287 HD22 ASN 40 HD22 ASN 40 7.785 -6.009 -0.167 288 H PHE 41 H PHE 41 4.290 -5.376 -1.126 289 HA PHE 41 HA PHE 41 2.910 -7.650 -2.251 290 HB2 PHE 41 HB2 PHE 41 2.403 -5.364 -3.045 291 HB3 PHE 41 HB3 PHE 41 4.073 -5.169 -3.516 292 HD1 PHE 41 HD1 PHE 41 4.616 -5.445 -5.727 293 HD2 PHE 41 HD2 PHE 41 1.245 -7.540 -4.171 294 HE1 PHE 41 HE1 PHE 41 4.134 -6.338 -7.966 295 HE2 PHE 41 HE2 PHE 41 0.771 -8.424 -6.407 296 HZ PHE 41 HZ PHE 41 2.212 -7.831 -8.303 297 H LYS 42 H LYS 42 6.018 -6.010 -2.634 298 HA LYS 42 HA LYS 42 7.334 -8.442 -3.327 299 HB2 LYS 42 HB2 LYS 42 6.163 -7.689 -5.424 300 HB3 LYS 42 HB3 LYS 42 7.034 -6.175 -5.332 301 HG2 LYS 42 HG2 LYS 42 9.125 -7.308 -5.698 302 HG3 LYS 42 HG3 LYS 42 8.311 -8.867 -5.648 303 HD2 LYS 42 HD2 LYS 42 7.746 -6.705 -7.665 304 HD3 LYS 42 HD3 LYS 42 8.814 -8.071 -7.959 305 HE2 LYS 42 HE2 LYS 42 5.848 -8.266 -7.323 306 HE3 LYS 42 HE3 LYS 42 6.566 -8.407 -8.918 307 HZ1 LYS 42 HZ1 LYS 42 7.159 -10.246 -6.653 308 HZ2 LYS 42 HZ2 LYS 42 7.707 -10.393 -8.241 309 HZ3 LYS 42 HZ3 LYS 42 6.074 -10.562 -7.897 310 H ASP 43 H ASP 43 9.715 -7.718 -3.765 311 HA ASP 43 HA ASP 43 10.696 -6.168 -1.677 312 HB2 ASP 43 HB2 ASP 43 12.067 -6.502 -4.366 313 HB3 ASP 43 HB3 ASP 43 12.842 -6.133 -2.837 314 H TYR 44 H TYR 44 10.504 -4.097 -1.307 315 HA TYR 44 HA TYR 44 10.439 -1.853 -1.503 316 HB2 TYR 44 HB2 TYR 44 11.371 -2.342 -4.340 317 HB3 TYR 44 HB3 TYR 44 11.122 -0.739 -3.670 318 HD1 TYR 44 HD1 TYR 44 12.553 0.051 -1.836 319 HD2 TYR 44 HD2 TYR 44 13.335 -3.620 -3.825 320 HE1 TYR 44 HE1 TYR 44 14.814 0.069 -0.949 321 HE2 TYR 44 HE2 TYR 44 15.621 -3.625 -2.930 322 HH TYR 44 HH TYR 44 16.579 -1.568 -0.421 323 H TYR 45 H TYR 45 8.141 -3.704 -2.353 324 HA TYR 45 HA TYR 45 6.458 -1.509 -3.347 325 HB2 TYR 45 HB2 TYR 45 6.471 -4.318 -4.463 326 HB3 TYR 45 HB3 TYR 45 5.191 -3.151 -4.759 327 HD1 TYR 45 HD1 TYR 45 5.882 -0.936 -5.846 328 HD2 TYR 45 HD2 TYR 45 8.331 -4.403 -5.895 329 HE1 TYR 45 HE1 TYR 45 7.103 -0.025 -7.757 330 HE2 TYR 45 HE2 TYR 45 9.571 -3.490 -7.809 331 HH TYR 45 HH TYR 45 9.064 -1.821 -9.716 332 H CYS 46 H CYS 46 4.491 -1.381 -2.592 333 HA CYS 46 HA CYS 46 3.564 -3.458 -0.718 334 HB2 CYS 46 HB2 CYS 46 3.187 -0.464 -0.547 335 HB3 CYS 46 HB3 CYS 46 2.281 -1.616 0.423 336 H ASN 47 H ASN 47 1.553 -4.213 -1.012 337 HA ASN 47 HA ASN 47 0.143 -3.273 -3.389 338 HB2 ASN 47 HB2 ASN 47 0.516 -5.760 -3.068 339 HB3 ASN 47 HB3 ASN 47 -0.488 -5.665 -1.627 340 HD21 ASN 47 HD21 ASN 47 -2.751 -5.468 -1.875 341 HD22 ASN 47 HD22 ASN 47 -3.486 -5.672 -3.410 342 H CYS 48 H CYS 48 -1.012 -1.579 -2.913 343 HA CYS 48 HA CYS 48 -2.289 -1.307 -0.341 344 HB2 CYS 48 HB2 CYS 48 -2.445 0.552 -2.716 345 HB3 CYS 48 HB3 CYS 48 -2.664 0.907 -0.998 346 H HIS 49 H HIS 49 -4.513 -1.339 -0.110 347 HA HIS 49 HA HIS 49 -6.002 -2.332 -2.410 348 HB2 HIS 49 HB2 HIS 49 -6.462 -2.725 0.565 349 HB3 HIS 49 HB3 HIS 49 -7.583 -3.256 -0.680 350 HD1 HIS 49 HD3 HIS 49 -7.289 -5.688 -1.342 351 HD2 HIS 49 HD2 HIS 49 -3.821 -4.012 0.238 352 HE1 HIS 49 HE1 HIS 49 -5.642 -7.550 -1.202 353 H ILE 50 H ILE 50 -6.714 -0.531 -3.247 354 HA ILE 50 HA ILE 50 -7.548 1.671 -1.557 355 HB ILE 50 HB ILE 50 -8.029 1.619 -4.520 356 HG12 ILE 50 HG12 ILE 50 -5.675 0.811 -4.264 357 HG13 ILE 50 HG13 ILE 50 -5.756 2.399 -5.005 358 HG21 ILE 50 HG21 ILE 50 -8.809 3.493 -3.188 359 HG22 ILE 50 HG22 ILE 50 -7.477 4.028 -4.240 360 HG23 ILE 50 HG23 ILE 50 -7.185 3.679 -2.526 361 HD11 ILE 50 HD11 ILE 50 -3.927 2.247 -3.437 362 HD12 ILE 50 HD12 ILE 50 -5.039 1.801 -2.141 363 HD13 ILE 50 HD13 ILE 50 -5.123 3.410 -2.861 364 H ILE 51 H ILE 51 -9.555 1.774 -0.813 365 HA ILE 51 HA ILE 51 -11.474 -0.203 -1.439 366 HB ILE 51 HB ILE 51 -11.865 2.382 0.102 367 HG12 ILE 51 HG12 ILE 51 -11.294 -0.416 1.087 368 HG13 ILE 51 HG13 ILE 51 -10.107 0.879 1.016 369 HG21 ILE 51 HG21 ILE 51 -13.551 -0.132 0.041 370 HG22 ILE 51 HG22 ILE 51 -13.998 1.424 -0.652 371 HG23 ILE 51 HG23 ILE 51 -13.819 1.257 1.096 372 HD11 ILE 51 HD11 ILE 51 -10.962 0.568 3.269 373 HD12 ILE 51 HD12 ILE 51 -12.606 0.852 2.693 374 HD13 ILE 51 HD13 ILE 51 -11.417 2.153 2.639 375 H ILE 52 H ILE 52 -12.846 -0.317 -3.027 376 HA ILE 52 HA ILE 52 -13.572 2.120 -4.509 377 HB ILE 52 HB ILE 52 -14.177 -0.758 -5.201 378 HG12 ILE 52 HG12 ILE 52 -11.918 0.934 -6.293 379 HG13 ILE 52 HG13 ILE 52 -11.720 -0.365 -5.123 380 HG21 ILE 52 HG21 ILE 52 -15.640 0.818 -6.292 381 HG22 ILE 52 HG22 ILE 52 -14.517 0.161 -7.487 382 HG23 ILE 52 HG23 ILE 52 -14.261 1.776 -6.822 383 HD11 ILE 52 HD11 ILE 52 -12.560 -1.968 -6.773 384 HD12 ILE 52 HD12 ILE 52 -11.138 -1.104 -7.348 385 HD13 ILE 52 HD13 ILE 52 -12.739 -0.656 -7.941 386 H HIS 53 H HIS 53 -14.958 -0.921 -3.358 387 HA HIS 53 HA HIS 53 -17.290 0.404 -2.287 388 HB2 HIS 53 HB2 HIS 53 -17.395 -1.975 -4.183 389 HB3 HIS 53 HB3 HIS 53 -18.753 -1.379 -3.250 390 HD1 HIS 53 HD3 HIS 53 -17.391 -1.257 -6.524 391 HD2 HIS 53 HD2 HIS 53 -19.318 1.463 -4.041 392 HE1 HIS 53 HE1 HIS 53 -18.300 0.543 -8.039 Start of MODEL 4 1 H1 GLU 1 1HT GLU 1 -12.642 -6.342 -3.916 2 H2 GLU 1 2HT GLU 1 -14.166 -6.679 -3.246 3 H3 GLU 1 3HT GLU 1 -13.074 -5.666 -2.443 4 HA GLU 1 HA GLU 1 -14.175 -4.983 -5.064 5 HB2 GLU 1 HB2 GLU 1 -15.625 -3.391 -3.810 6 HB3 GLU 1 HB3 GLU 1 -16.034 -5.067 -3.511 7 HG2 GLU 1 HG2 GLU 1 -14.890 -4.968 -1.359 8 HG3 GLU 1 HG3 GLU 1 -14.434 -3.296 -1.676 9 H GLU 2 H GLU 2 -11.403 -4.910 -4.103 10 HA GLU 2 HA GLU 2 -11.082 -2.027 -3.672 11 HB2 GLU 2 HB2 GLU 2 -9.103 -4.198 -2.916 12 HB3 GLU 2 HB3 GLU 2 -8.955 -2.489 -2.588 13 HG2 GLU 2 HG2 GLU 2 -9.521 -3.441 -0.534 14 HG3 GLU 2 HG3 GLU 2 -11.042 -2.777 -1.129 15 H THR 3 H THR 3 -9.064 -1.198 -4.623 16 HA THR 3 HA THR 3 -8.376 -2.658 -7.042 17 HB THR 3 HB THR 3 -9.172 -0.301 -7.398 18 HG1 THR 3 HG1 THR 3 -6.433 -0.224 -8.095 19 HG21 THR 3 HG21 THR 3 -7.682 1.591 -6.770 20 HG22 THR 3 HG22 THR 3 -6.742 0.468 -5.778 21 HG23 THR 3 HG23 THR 3 -8.437 0.783 -5.401 22 H GLU 4 H GLU 4 -6.378 -3.435 -7.231 23 HA GLU 4 HA GLU 4 -4.701 -3.373 -4.848 24 HB2 GLU 4 HB2 GLU 4 -4.311 -4.939 -7.398 25 HB3 GLU 4 HB3 GLU 4 -3.516 -5.188 -5.847 26 HG2 GLU 4 HG2 GLU 4 -6.457 -5.577 -6.375 27 HG3 GLU 4 HG3 GLU 4 -5.260 -6.866 -6.335 28 H GLU 5 H GLU 5 -3.368 -1.690 -4.804 29 HA GLU 5 HA GLU 5 -2.129 -0.858 -7.336 30 HB2 GLU 5 HB2 GLU 5 -2.579 0.731 -4.833 31 HB3 GLU 5 HB3 GLU 5 -1.730 1.315 -6.247 32 HG2 GLU 5 HG2 GLU 5 -4.636 0.550 -6.035 33 HG3 GLU 5 HG3 GLU 5 -3.981 2.177 -6.201 34 HA PRO 6 HA PRO 6 1.613 -2.322 -5.182 35 HB2 PRO 6 HB2 PRO 6 2.672 -2.209 -7.937 36 HB3 PRO 6 HB3 PRO 6 2.663 -3.569 -6.808 37 HG2 PRO 6 HG2 PRO 6 1.075 -3.559 -8.964 38 HG3 PRO 6 HG3 PRO 6 0.533 -4.239 -7.419 39 HD2 PRO 6 HD2 PRO 6 -0.087 -1.560 -8.622 40 HD3 PRO 6 HD3 PRO 6 -1.172 -2.717 -7.819 41 H ILE 7 H ILE 7 2.603 -0.694 -4.250 42 HA ILE 7 HA ILE 7 3.371 1.698 -5.800 43 HB ILE 7 HB ILE 7 3.216 3.012 -3.729 44 HG12 ILE 7 HG12 ILE 7 2.378 0.525 -2.277 45 HG13 ILE 7 HG13 ILE 7 4.080 0.986 -2.334 46 HG21 ILE 7 HG21 ILE 7 0.963 2.705 -3.125 47 HG22 ILE 7 HG22 ILE 7 0.886 1.221 -4.089 48 HG23 ILE 7 HG23 ILE 7 1.199 2.776 -4.876 49 HD11 ILE 7 HD11 ILE 7 3.034 1.755 -0.308 50 HD12 ILE 7 HD12 ILE 7 1.819 2.631 -1.269 51 HD13 ILE 7 HD13 ILE 7 3.522 3.104 -1.344 52 H ARG 8 H ARG 8 5.340 2.711 -5.081 53 HA ARG 8 HA ARG 8 7.457 0.786 -4.574 54 HB2 ARG 8 HB2 ARG 8 7.501 3.760 -5.189 55 HB3 ARG 8 HB3 ARG 8 8.911 2.724 -5.024 56 HG2 ARG 8 HG2 ARG 8 8.412 1.534 -6.973 57 HG3 ARG 8 HG3 ARG 8 6.797 2.243 -7.092 58 HD2 ARG 8 HD2 ARG 8 9.334 3.856 -7.210 59 HD3 ARG 8 HD3 ARG 8 8.559 3.196 -8.645 60 HE ARG 8 HE ARG 8 6.564 4.511 -7.954 61 HH11 ARG 8 HH11 ARG 8 9.770 5.611 -6.890 62 HH12 ARG 8 HH12 ARG 8 9.334 7.241 -6.831 63 HH21 ARG 8 HH21 ARG 8 6.008 6.762 -7.924 64 HH22 ARG 8 HH22 ARG 8 7.174 7.927 -7.476 65 H HIS 9 H HIS 9 8.572 0.714 -2.621 66 HA HIS 9 HA HIS 9 8.127 2.888 -0.715 67 HB2 HIS 9 HB2 HIS 9 6.570 0.966 -0.171 68 HB3 HIS 9 HB3 HIS 9 7.990 -0.046 0.061 69 HD1 HIS 9 HD3 HIS 9 9.295 0.263 2.300 70 HD2 HIS 9 HD2 HIS 9 6.095 2.861 1.823 71 HE1 HIS 9 HE1 HIS 9 8.971 1.394 4.535 72 H ALA 10 H ALA 10 9.901 3.263 0.636 73 HA ALA 10 HA ALA 10 12.352 2.133 -0.375 74 HB1 ALA 10 HB1 ALA 10 13.506 3.870 0.834 75 HB2 ALA 10 HB2 ALA 10 12.006 4.355 1.635 76 HB3 ALA 10 HB3 ALA 10 12.189 4.565 -0.111 77 H LYS 11 H LYS 11 11.723 0.025 0.535 78 HA LYS 11 HA LYS 11 13.528 -0.740 2.406 79 HB2 LYS 11 HB2 LYS 11 11.999 0.164 4.148 80 HB3 LYS 11 HB3 LYS 11 10.656 -0.732 3.452 81 HG2 LYS 11 HG2 LYS 11 11.640 -2.829 4.084 82 HG3 LYS 11 HG3 LYS 11 13.120 -2.028 4.598 83 HD2 LYS 11 HD2 LYS 11 10.448 -1.471 5.858 84 HD3 LYS 11 HD3 LYS 11 11.524 -2.752 6.425 85 HE2 LYS 11 HE2 LYS 11 13.271 -1.066 6.813 86 HE3 LYS 11 HE3 LYS 11 12.162 0.197 6.280 87 HZ1 LYS 11 HZ1 LYS 11 11.669 -1.601 8.590 88 HZ2 LYS 11 HZ2 LYS 11 10.721 -0.288 8.108 89 HZ3 LYS 11 HZ3 LYS 11 12.294 -0.039 8.698 90 H LYS 12 H LYS 12 13.761 -2.937 2.146 91 HA LYS 12 HA LYS 12 12.662 -3.978 -0.228 92 HB2 LYS 12 HB2 LYS 12 14.899 -4.552 0.868 93 HB3 LYS 12 HB3 LYS 12 13.983 -5.617 1.927 94 HG2 LYS 12 HG2 LYS 12 13.198 -6.886 0.024 95 HG3 LYS 12 HG3 LYS 12 14.029 -5.764 -1.058 96 HD2 LYS 12 HD2 LYS 12 15.519 -7.544 -0.936 97 HD3 LYS 12 HD3 LYS 12 16.095 -6.364 0.253 98 HE2 LYS 12 HE2 LYS 12 16.227 -8.624 1.143 99 HE3 LYS 12 HE3 LYS 12 15.089 -7.633 2.051 100 HZ1 LYS 12 HZ1 LYS 12 13.313 -8.774 1.256 101 HZ2 LYS 12 HZ2 LYS 12 14.428 -10.032 1.354 102 HZ3 LYS 12 HZ3 LYS 12 14.063 -9.293 -0.146 103 H ASN 13 H ASN 13 12.252 -4.908 3.097 104 HA ASN 13 HA ASN 13 9.551 -5.852 2.392 105 HB2 ASN 13 HB2 ASN 13 11.410 -7.164 4.389 106 HB3 ASN 13 HB3 ASN 13 9.709 -7.572 4.204 107 HD21 ASN 13 HD21 ASN 13 9.043 -8.635 2.287 108 HD22 ASN 13 HD22 ASN 13 10.180 -9.454 1.297 109 HA PRO 14 HA PRO 14 8.913 -2.835 5.667 110 HB2 PRO 14 HB2 PRO 14 6.625 -1.891 4.268 111 HB3 PRO 14 HB3 PRO 14 8.198 -1.106 4.396 112 HG2 PRO 14 HG2 PRO 14 7.122 -2.128 2.052 113 HG3 PRO 14 HG3 PRO 14 8.842 -1.812 2.326 114 HD2 PRO 14 HD2 PRO 14 7.333 -4.385 2.493 115 HD3 PRO 14 HD3 PRO 14 8.967 -4.050 1.863 116 H SER 15 H SER 15 7.270 -2.616 7.173 117 HA SER 15 HA SER 15 5.587 -4.923 7.466 118 HB2 SER 15 HB2 SER 15 6.802 -3.925 9.403 119 HB3 SER 15 HB3 SER 15 5.873 -2.444 9.204 120 HG SER 15 HG SER 15 4.983 -5.005 10.019 121 H GLU 16 H GLU 16 3.244 -4.560 8.046 122 HA GLU 16 HA GLU 16 1.788 -3.463 5.968 123 HB2 GLU 16 HB2 GLU 16 0.852 -5.108 7.535 124 HB3 GLU 16 HB3 GLU 16 0.882 -3.907 8.820 125 HG2 GLU 16 HG2 GLU 16 -0.660 -2.513 7.426 126 HG3 GLU 16 HG3 GLU 16 -0.807 -3.880 6.332 127 H GLY 17 H GLY 17 2.581 -2.037 9.113 128 HA2 GLY 17 HA2 GLY 17 1.033 0.285 8.867 129 HA3 GLY 17 HA3 GLY 17 2.445 0.116 9.906 130 H GLU 18 H GLU 18 4.334 -0.353 7.881 131 HA GLU 18 HA GLU 18 5.002 2.303 7.172 132 HB2 GLU 18 HB2 GLU 18 6.130 -0.303 6.108 133 HB3 GLU 18 HB3 GLU 18 6.895 1.276 5.985 134 HG2 GLU 18 HG2 GLU 18 7.088 1.376 8.418 135 HG3 GLU 18 HG3 GLU 18 6.306 -0.195 8.548 136 H CYS 19 H CYS 19 3.971 -0.506 5.274 137 HA CYS 19 HA CYS 19 3.750 0.761 2.797 138 HB2 CYS 19 HB2 CYS 19 2.186 -1.619 3.857 139 HB3 CYS 19 HB3 CYS 19 2.195 -1.082 2.206 140 H LYS 20 H LYS 20 1.367 0.282 5.363 141 HA LYS 20 HA LYS 20 -0.881 1.217 4.050 142 HB2 LYS 20 HB2 LYS 20 -0.849 -0.033 6.149 143 HB3 LYS 20 HB3 LYS 20 -0.230 1.374 6.991 144 HG2 LYS 20 HG2 LYS 20 -2.328 2.572 6.445 145 HG3 LYS 20 HG3 LYS 20 -2.939 1.099 5.688 146 HD2 LYS 20 HD2 LYS 20 -2.155 1.444 8.586 147 HD3 LYS 20 HD3 LYS 20 -3.795 1.270 7.966 148 HE2 LYS 20 HE2 LYS 20 -3.203 -0.994 7.135 149 HE3 LYS 20 HE3 LYS 20 -1.592 -0.782 7.814 150 HZ1 LYS 20 HZ1 LYS 20 -2.674 -0.561 10.021 151 HZ2 LYS 20 HZ2 LYS 20 -2.837 -2.068 9.283 152 HZ3 LYS 20 HZ3 LYS 20 -4.140 -1.009 9.289 153 H LYS 21 H LYS 21 1.445 2.931 6.096 154 HA LYS 21 HA LYS 21 0.106 5.408 5.947 155 HB2 LYS 21 HB2 LYS 21 1.692 4.883 7.746 156 HB3 LYS 21 HB3 LYS 21 3.001 4.838 6.577 157 HG2 LYS 21 HG2 LYS 21 2.833 7.184 6.180 158 HG3 LYS 21 HG3 LYS 21 1.338 7.289 7.108 159 HD2 LYS 21 HD2 LYS 21 3.223 8.135 8.396 160 HD3 LYS 21 HD3 LYS 21 2.551 6.691 9.142 161 HE2 LYS 21 HE2 LYS 21 4.968 6.621 9.208 162 HE3 LYS 21 HE3 LYS 21 4.367 5.350 8.150 163 HZ1 LYS 21 HZ1 LYS 21 6.274 6.478 7.222 164 HZ2 LYS 21 HZ2 LYS 21 5.494 7.960 7.283 165 HZ3 LYS 21 HZ3 LYS 21 4.940 6.763 6.237 166 H ALA 22 H ALA 22 2.686 3.950 4.014 167 HA ALA 22 HA ALA 22 3.117 6.208 2.375 168 HB1 ALA 22 HB1 ALA 22 3.475 3.284 1.694 169 HB2 ALA 22 HB2 ALA 22 4.678 4.322 2.463 170 HB3 ALA 22 HB3 ALA 22 4.166 4.645 0.806 171 H CYS 23 H CYS 23 0.981 3.394 2.016 172 HA CYS 23 HA CYS 23 -0.254 3.995 -0.401 173 HB2 CYS 23 HB2 CYS 23 -1.434 2.693 2.060 174 HB3 CYS 23 HB3 CYS 23 -2.206 2.713 0.483 175 H ALA 24 H ALA 24 -1.032 5.051 2.858 176 HA ALA 24 HA ALA 24 -3.387 6.417 2.267 177 HB1 ALA 24 HB1 ALA 24 -3.068 7.494 4.421 178 HB2 ALA 24 HB2 ALA 24 -1.390 6.948 4.452 179 HB3 ALA 24 HB3 ALA 24 -2.703 5.769 4.504 180 H ASP 25 H ASP 25 -0.125 7.725 2.811 181 HA ASP 25 HA ASP 25 -0.695 10.392 2.225 182 HB2 ASP 25 HB2 ASP 25 1.376 9.791 3.325 183 HB3 ASP 25 HB3 ASP 25 1.911 8.898 1.908 184 H ALA 26 H ALA 26 0.337 7.816 0.068 185 HA ALA 26 HA ALA 26 0.615 9.554 -2.165 186 HB1 ALA 26 HB1 ALA 26 1.023 7.561 -3.453 187 HB2 ALA 26 HB2 ALA 26 0.438 6.555 -2.127 188 HB3 ALA 26 HB3 ALA 26 1.917 7.493 -1.933 189 H PHE 27 H PHE 27 -2.156 7.977 -0.770 190 HA PHE 27 HA PHE 27 -3.453 8.317 -3.383 191 HB2 PHE 27 HB2 PHE 27 -3.743 6.015 -1.506 192 HB3 PHE 27 HB3 PHE 27 -4.966 6.379 -2.720 193 HD1 PHE 27 HD1 PHE 27 -1.717 4.808 -2.124 194 HD2 PHE 27 HD2 PHE 27 -4.279 6.503 -5.103 195 HE1 PHE 27 HE1 PHE 27 -0.508 3.667 -3.829 196 HE2 PHE 27 HE2 PHE 27 -3.015 5.350 -6.822 197 HZ PHE 27 HZ PHE 27 -1.104 3.913 -6.183 198 H ALA 28 H ALA 28 -4.098 8.346 0.083 199 HA ALA 28 HA ALA 28 -6.637 9.674 -0.558 200 HB1 ALA 28 HB1 ALA 28 -7.549 8.731 1.484 201 HB2 ALA 28 HB2 ALA 28 -5.993 7.992 1.862 202 HB3 ALA 28 HB3 ALA 28 -6.908 7.450 0.453 203 H ASN 29 H ASN 29 -3.944 10.803 -0.152 204 HA ASN 29 HA ASN 29 -2.942 12.610 0.754 205 HB2 ASN 29 HB2 ASN 29 -5.786 13.294 1.524 206 HB3 ASN 29 HB3 ASN 29 -4.439 14.378 1.823 207 HD21 ASN 29 HD21 ASN 29 -5.289 15.973 0.491 208 HD22 ASN 29 HD22 ASN 29 -5.306 15.816 -1.228 209 H GLY 30 H GLY 30 -3.423 10.183 2.444 210 HA2 GLY 30 HA2 GLY 30 -2.020 10.026 4.463 211 HA3 GLY 30 HA3 GLY 30 -2.809 11.498 5.013 212 H ASP 31 H ASP 31 -5.350 10.190 3.765 213 HA ASP 31 HA ASP 31 -6.278 9.132 6.240 214 HB2 ASP 31 HB2 ASP 31 -7.867 10.308 4.900 215 HB3 ASP 31 HB3 ASP 31 -7.575 9.257 3.518 216 H GLN 32 H GLN 32 -6.268 7.167 6.962 217 HA GLN 32 HA GLN 32 -5.323 5.033 5.202 218 HB2 GLN 32 HB2 GLN 32 -5.487 5.094 8.219 219 HB3 GLN 32 HB3 GLN 32 -4.717 3.853 7.244 220 HG2 GLN 32 HG2 GLN 32 -3.104 5.521 6.435 221 HG3 GLN 32 HG3 GLN 32 -3.857 6.729 7.472 222 HE21 GLN 32 HE21 GLN 32 -1.159 5.809 7.464 223 HE22 GLN 32 HE22 GLN 32 -0.838 5.152 9.030 224 H SER 33 H SER 33 -8.203 6.183 5.808 225 HA SER 33 HA SER 33 -9.515 3.849 6.890 226 HB2 SER 33 HB2 SER 33 -10.805 6.316 5.731 227 HB3 SER 33 HB3 SER 33 -11.485 5.187 6.905 228 HG SER 33 HG SER 33 -9.742 7.264 7.186 229 H LYS 34 H LYS 34 -9.195 5.580 3.844 230 HA LYS 34 HA LYS 34 -10.988 3.945 2.360 231 HB2 LYS 34 HB2 LYS 34 -10.244 6.265 1.754 232 HB3 LYS 34 HB3 LYS 34 -8.676 5.599 1.330 233 HG2 LYS 34 HG2 LYS 34 -9.696 4.265 -0.420 234 HG3 LYS 34 HG3 LYS 34 -11.287 4.873 0.035 235 HD2 LYS 34 HD2 LYS 34 -10.505 7.161 -0.458 236 HD3 LYS 34 HD3 LYS 34 -8.977 6.487 -1.027 237 HE2 LYS 34 HE2 LYS 34 -10.183 5.217 -2.731 238 HE3 LYS 34 HE3 LYS 34 -11.706 5.892 -2.153 239 HZ1 LYS 34 HZ1 LYS 34 -10.985 7.086 -4.050 240 HZ2 LYS 34 HZ2 LYS 34 -9.465 7.378 -3.409 241 HZ3 LYS 34 HZ3 LYS 34 -10.822 8.118 -2.724 242 H ILE 35 H ILE 35 -7.902 3.456 3.533 243 HA ILE 35 HA ILE 35 -7.112 1.462 1.570 244 HB ILE 35 HB ILE 35 -5.753 2.320 4.150 245 HG12 ILE 35 HG12 ILE 35 -5.843 4.205 2.592 246 HG13 ILE 35 HG13 ILE 35 -4.195 3.614 2.731 247 HG21 ILE 35 HG21 ILE 35 -3.743 1.244 3.242 248 HG22 ILE 35 HG22 ILE 35 -4.677 0.691 1.854 249 HG23 ILE 35 HG23 ILE 35 -5.063 0.097 3.467 250 HD11 ILE 35 HD11 ILE 35 -6.098 3.079 0.457 251 HD12 ILE 35 HD12 ILE 35 -4.463 2.439 0.589 252 HD13 ILE 35 HD13 ILE 35 -4.717 4.180 0.437 253 H ALA 36 H ALA 36 -7.803 -0.583 1.813 254 HA ALA 36 HA ALA 36 -9.186 -1.407 4.189 255 HB1 ALA 36 HB1 ALA 36 -9.459 -3.556 3.023 256 HB2 ALA 36 HB2 ALA 36 -8.333 -3.022 1.775 257 HB3 ALA 36 HB3 ALA 36 -9.884 -2.207 1.969 258 H LYS 37 H LYS 37 -6.169 -2.319 2.571 259 HA LYS 37 HA LYS 37 -4.871 -2.815 5.061 260 HB2 LYS 37 HB2 LYS 37 -6.245 -4.951 4.359 261 HB3 LYS 37 HB3 LYS 37 -4.999 -5.140 3.140 262 HG2 LYS 37 HG2 LYS 37 -3.299 -5.225 4.943 263 HG3 LYS 37 HG3 LYS 37 -4.601 -5.121 6.133 264 HD2 LYS 37 HD2 LYS 37 -5.579 -7.183 5.026 265 HD3 LYS 37 HD3 LYS 37 -4.053 -7.323 4.158 266 HE2 LYS 37 HE2 LYS 37 -4.425 -7.365 7.152 267 HE3 LYS 37 HE3 LYS 37 -4.060 -8.755 6.140 268 HZ1 LYS 37 HZ1 LYS 37 -1.911 -7.561 5.585 269 HZ2 LYS 37 HZ2 LYS 37 -2.110 -8.094 7.156 270 HZ3 LYS 37 HZ3 LYS 37 -2.319 -6.455 6.829 271 H ALA 38 H ALA 38 -2.554 -3.620 4.419 272 HA ALA 38 HA ALA 38 -1.790 -2.897 1.743 273 HB1 ALA 38 HB1 ALA 38 0.006 -1.448 2.567 274 HB2 ALA 38 HB2 ALA 38 -0.602 -1.629 4.215 275 HB3 ALA 38 HB3 ALA 38 -1.582 -0.810 2.993 276 H GLU 39 H GLU 39 -0.501 -4.380 1.089 277 HA GLU 39 HA GLU 39 0.794 -6.156 3.064 278 HB2 GLU 39 HB2 GLU 39 -0.484 -6.759 0.411 279 HB3 GLU 39 HB3 GLU 39 0.652 -7.863 1.159 280 HG2 GLU 39 HG2 GLU 39 -1.899 -6.921 2.443 281 HG3 GLU 39 HG3 GLU 39 -1.728 -8.425 1.538 282 H ASN 40 H ASN 40 2.779 -7.116 2.377 283 HA ASN 40 HA ASN 40 4.443 -5.387 0.820 284 HB2 ASN 40 HB2 ASN 40 5.343 -6.688 2.739 285 HB3 ASN 40 HB3 ASN 40 4.946 -8.181 1.899 286 HD21 ASN 40 HD21 ASN 40 6.352 -5.274 0.393 287 HD22 ASN 40 HD22 ASN 40 7.823 -6.035 -0.010 288 H PHE 41 H PHE 41 4.321 -5.399 -1.328 289 HA PHE 41 HA PHE 41 2.940 -7.547 -2.687 290 HB2 PHE 41 HB2 PHE 41 2.468 -5.213 -3.303 291 HB3 PHE 41 HB3 PHE 41 4.151 -4.982 -3.737 292 HD1 PHE 41 HD1 PHE 41 4.952 -5.558 -5.882 293 HD2 PHE 41 HD2 PHE 41 1.061 -6.805 -4.671 294 HE1 PHE 41 HE1 PHE 41 4.463 -6.276 -8.173 295 HE2 PHE 41 HE2 PHE 41 0.585 -7.516 -6.967 296 HZ PHE 41 HZ PHE 41 2.281 -7.255 -8.717 297 H LYS 42 H LYS 42 6.158 -6.171 -2.534 298 HA LYS 42 HA LYS 42 7.425 -8.511 -3.487 299 HB2 LYS 42 HB2 LYS 42 6.570 -7.566 -5.635 300 HB3 LYS 42 HB3 LYS 42 7.342 -6.038 -5.278 301 HG2 LYS 42 HG2 LYS 42 9.541 -7.211 -5.351 302 HG3 LYS 42 HG3 LYS 42 8.685 -8.663 -5.872 303 HD2 LYS 42 HD2 LYS 42 8.622 -6.015 -7.319 304 HD3 LYS 42 HD3 LYS 42 9.680 -7.352 -7.747 305 HE2 LYS 42 HE2 LYS 42 7.683 -8.754 -8.140 306 HE3 LYS 42 HE3 LYS 42 6.660 -7.369 -7.762 307 HZ1 LYS 42 HZ1 LYS 42 8.610 -7.508 -9.991 308 HZ2 LYS 42 HZ2 LYS 42 7.607 -6.199 -9.635 309 HZ3 LYS 42 HZ3 LYS 42 6.937 -7.655 -10.138 310 H ASP 43 H ASP 43 9.823 -7.955 -3.549 311 HA ASP 43 HA ASP 43 10.669 -6.478 -1.375 312 HB2 ASP 43 HB2 ASP 43 12.203 -7.214 -3.905 313 HB3 ASP 43 HB3 ASP 43 12.916 -6.669 -2.412 314 H TYR 44 H TYR 44 10.552 -4.418 -1.080 315 HA TYR 44 HA TYR 44 10.692 -2.194 -1.276 316 HB2 TYR 44 HB2 TYR 44 11.767 -2.763 -4.030 317 HB3 TYR 44 HB3 TYR 44 11.456 -1.123 -3.490 318 HD1 TYR 44 HD1 TYR 44 13.583 -4.059 -3.124 319 HD2 TYR 44 HD2 TYR 44 12.831 -0.105 -1.781 320 HE1 TYR 44 HE1 TYR 44 15.778 -4.016 -2.094 321 HE2 TYR 44 HE2 TYR 44 15.037 -0.017 -0.732 322 HH TYR 44 HH TYR 44 16.755 -1.578 0.106 323 H TYR 45 H TYR 45 8.363 -3.938 -2.294 324 HA TYR 45 HA TYR 45 6.821 -1.625 -3.247 325 HB2 TYR 45 HB2 TYR 45 6.720 -4.389 -4.440 326 HB3 TYR 45 HB3 TYR 45 5.558 -3.120 -4.777 327 HD1 TYR 45 HD1 TYR 45 6.306 -1.067 -5.934 328 HD2 TYR 45 HD2 TYR 45 8.829 -4.456 -5.571 329 HE1 TYR 45 HE1 TYR 45 7.712 -0.210 -7.762 330 HE2 TYR 45 HE2 TYR 45 10.233 -3.632 -7.384 331 HH TYR 45 HH TYR 45 10.025 -2.137 -9.321 332 H CYS 46 H CYS 46 4.755 -1.542 -2.689 333 HA CYS 46 HA CYS 46 3.772 -3.606 -0.837 334 HB2 CYS 46 HB2 CYS 46 3.402 -0.612 -0.549 335 HB3 CYS 46 HB3 CYS 46 2.660 -1.846 0.463 336 H ASN 47 H ASN 47 1.576 -4.004 -0.941 337 HA ASN 47 HA ASN 47 0.202 -3.037 -3.389 338 HB2 ASN 47 HB2 ASN 47 0.445 -5.538 -3.010 339 HB3 ASN 47 HB3 ASN 47 -0.519 -5.335 -1.553 340 HD21 ASN 47 HD21 ASN 47 -2.295 -6.425 -2.136 341 HD22 ASN 47 HD22 ASN 47 -3.340 -6.002 -3.428 342 H CYS 48 H CYS 48 -1.084 -1.447 -3.010 343 HA CYS 48 HA CYS 48 -2.207 -1.085 -0.359 344 HB2 CYS 48 HB2 CYS 48 -2.395 0.673 -2.816 345 HB3 CYS 48 HB3 CYS 48 -2.875 1.088 -1.171 346 H HIS 49 H HIS 49 -4.179 -1.810 0.070 347 HA HIS 49 HA HIS 49 -5.821 -2.738 -2.157 348 HB2 HIS 49 HB2 HIS 49 -6.150 -3.172 0.844 349 HB3 HIS 49 HB3 HIS 49 -7.086 -3.951 -0.418 350 HD1 HIS 49 HD3 HIS 49 -6.390 -6.356 -0.562 351 HD2 HIS 49 HD2 HIS 49 -3.171 -3.880 0.279 352 HE1 HIS 49 HE1 HIS 49 -4.386 -7.871 -0.275 353 H ILE 50 H ILE 50 -6.710 -0.859 -2.854 354 HA ILE 50 HA ILE 50 -7.694 0.998 -0.807 355 HB ILE 50 HB ILE 50 -7.584 1.575 -3.766 356 HG12 ILE 50 HG12 ILE 50 -5.399 2.133 -1.748 357 HG13 ILE 50 HG13 ILE 50 -5.329 0.842 -2.942 358 HG21 ILE 50 HG21 ILE 50 -7.450 3.887 -2.937 359 HG22 ILE 50 HG22 ILE 50 -7.456 3.257 -1.285 360 HG23 ILE 50 HG23 ILE 50 -8.888 3.060 -2.304 361 HD11 ILE 50 HD11 ILE 50 -5.484 3.790 -3.505 362 HD12 ILE 50 HD12 ILE 50 -5.525 2.507 -4.711 363 HD13 ILE 50 HD13 ILE 50 -4.076 2.738 -3.725 364 H ILE 51 H ILE 51 -9.787 1.170 -0.422 365 HA ILE 51 HA ILE 51 -11.651 -0.424 -1.891 366 HB ILE 51 HB ILE 51 -12.197 1.646 0.270 367 HG12 ILE 51 HG12 ILE 51 -11.767 -1.341 0.554 368 HG13 ILE 51 HG13 ILE 51 -10.595 -0.112 1.004 369 HG21 ILE 51 HG21 ILE 51 -14.172 0.998 -1.026 370 HG22 ILE 51 HG22 ILE 51 -14.260 0.349 0.613 371 HG23 ILE 51 HG23 ILE 51 -13.817 -0.705 -0.728 372 HD11 ILE 51 HD11 ILE 51 -13.317 -0.486 2.232 373 HD12 ILE 51 HD12 ILE 51 -12.132 0.738 2.693 374 HD13 ILE 51 HD13 ILE 51 -11.779 -0.972 2.944 375 H ILE 52 H ILE 52 -12.547 0.212 -3.703 376 HA ILE 52 HA ILE 52 -12.100 2.759 -4.823 377 HB ILE 52 HB ILE 52 -14.007 0.579 -5.750 378 HG12 ILE 52 HG12 ILE 52 -11.138 1.179 -6.528 379 HG13 ILE 52 HG13 ILE 52 -11.679 -0.188 -5.563 380 HG21 ILE 52 HG21 ILE 52 -14.531 2.744 -6.762 381 HG22 ILE 52 HG22 ILE 52 -13.850 1.637 -7.956 382 HG23 ILE 52 HG23 ILE 52 -12.852 2.920 -7.272 383 HD11 ILE 52 HD11 ILE 52 -12.917 -1.042 -7.508 384 HD12 ILE 52 HD12 ILE 52 -11.197 -0.870 -7.837 385 HD13 ILE 52 HD13 ILE 52 -12.337 0.324 -8.459 386 H HIS 53 H HIS 53 -14.886 1.354 -3.214 387 HA HIS 53 HA HIS 53 -15.909 4.018 -2.802 388 HB2 HIS 53 HB2 HIS 53 -17.189 3.201 -4.765 389 HB3 HIS 53 HB3 HIS 53 -17.654 1.766 -3.858 390 HD1 HIS 53 HD3 HIS 53 -19.855 1.947 -2.630 391 HD2 HIS 53 HD2 HIS 53 -18.198 5.651 -3.496 392 HE1 HIS 53 HE1 HIS 53 -21.541 3.651 -1.874 Start of MODEL 5 1 H1 GLU 1 1HT GLU 1 -16.848 -2.769 -3.101 2 H2 GLU 1 2HT GLU 1 -16.033 -1.323 -2.910 3 H3 GLU 1 3HT GLU 1 -15.507 -2.690 -2.076 4 HA GLU 1 HA GLU 1 -14.971 -3.762 -4.166 5 HB2 GLU 1 HB2 GLU 1 -16.502 -2.550 -5.609 6 HB3 GLU 1 HB3 GLU 1 -15.671 -1.038 -5.275 7 HG2 GLU 1 HG2 GLU 1 -13.716 -1.810 -6.451 8 HG3 GLU 1 HG3 GLU 1 -14.438 -3.399 -6.686 9 H GLU 2 H GLU 2 -12.900 -4.008 -3.964 10 HA GLU 2 HA GLU 2 -11.182 -1.679 -3.422 11 HB2 GLU 2 HB2 GLU 2 -10.931 -4.536 -2.496 12 HB3 GLU 2 HB3 GLU 2 -9.736 -3.277 -2.235 13 HG2 GLU 2 HG2 GLU 2 -10.998 -2.211 -0.676 14 HG3 GLU 2 HG3 GLU 2 -12.520 -2.857 -1.296 15 H THR 3 H THR 3 -9.081 -1.842 -4.341 16 HA THR 3 HA THR 3 -8.726 -3.908 -6.367 17 HB THR 3 HB THR 3 -9.537 -1.709 -7.391 18 HG1 THR 3 HG1 THR 3 -8.564 -2.884 -8.833 19 HG21 THR 3 HG21 THR 3 -7.879 0.128 -7.615 20 HG22 THR 3 HG22 THR 3 -6.798 -0.740 -6.526 21 HG23 THR 3 HG23 THR 3 -8.349 -0.144 -5.936 22 H GLU 4 H GLU 4 -6.507 -4.456 -6.655 23 HA GLU 4 HA GLU 4 -4.819 -3.596 -4.430 24 HB2 GLU 4 HB2 GLU 4 -4.718 -6.005 -6.231 25 HB3 GLU 4 HB3 GLU 4 -3.537 -5.639 -4.980 26 HG2 GLU 4 HG2 GLU 4 -5.176 -5.885 -3.267 27 HG3 GLU 4 HG3 GLU 4 -6.468 -6.036 -4.460 28 H GLU 5 H GLU 5 -3.358 -2.124 -4.926 29 HA GLU 5 HA GLU 5 -2.098 -2.280 -7.568 30 HB2 GLU 5 HB2 GLU 5 -3.744 -0.335 -7.364 31 HB3 GLU 5 HB3 GLU 5 -2.684 0.310 -6.124 32 HG2 GLU 5 HG2 GLU 5 -0.879 0.505 -7.685 33 HG3 GLU 5 HG3 GLU 5 -1.837 -0.259 -8.944 34 HA PRO 6 HA PRO 6 1.405 -2.302 -4.787 35 HB2 PRO 6 HB2 PRO 6 3.297 -2.973 -6.577 36 HB3 PRO 6 HB3 PRO 6 2.126 -4.123 -5.927 37 HG2 PRO 6 HG2 PRO 6 2.280 -2.917 -8.618 38 HG3 PRO 6 HG3 PRO 6 1.500 -4.419 -8.106 39 HD2 PRO 6 HD2 PRO 6 0.272 -1.872 -8.596 40 HD3 PRO 6 HD3 PRO 6 -0.500 -3.367 -8.037 41 H ILE 7 H ILE 7 2.177 -0.527 -4.077 42 HA ILE 7 HA ILE 7 3.082 1.620 -5.860 43 HB ILE 7 HB ILE 7 3.111 3.063 -3.871 44 HG12 ILE 7 HG12 ILE 7 2.359 0.651 -2.234 45 HG13 ILE 7 HG13 ILE 7 4.037 1.160 -2.399 46 HG21 ILE 7 HG21 ILE 7 1.037 2.786 -4.907 47 HG22 ILE 7 HG22 ILE 7 0.900 2.912 -3.135 48 HG23 ILE 7 HG23 ILE 7 0.710 1.346 -3.928 49 HD11 ILE 7 HD11 ILE 7 3.065 1.985 -0.371 50 HD12 ILE 7 HD12 ILE 7 1.788 2.797 -1.311 51 HD13 ILE 7 HD13 ILE 7 3.480 3.298 -1.485 52 H ARG 8 H ARG 8 5.124 2.678 -5.271 53 HA ARG 8 HA ARG 8 7.193 0.697 -4.740 54 HB2 ARG 8 HB2 ARG 8 7.454 3.587 -5.716 55 HB3 ARG 8 HB3 ARG 8 8.755 2.441 -5.477 56 HG2 ARG 8 HG2 ARG 8 8.258 2.752 -7.820 57 HG3 ARG 8 HG3 ARG 8 8.008 1.091 -7.311 58 HD2 ARG 8 HD2 ARG 8 6.256 1.865 -8.867 59 HD3 ARG 8 HD3 ARG 8 5.588 1.470 -7.287 60 HE ARG 8 HE ARG 8 6.067 4.128 -7.128 61 HH11 ARG 8 HH11 ARG 8 4.288 2.147 -9.450 62 HH12 ARG 8 HH12 ARG 8 3.144 3.342 -9.823 63 HH21 ARG 8 HH21 ARG 8 4.481 5.770 -7.606 64 HH22 ARG 8 HH22 ARG 8 3.267 5.483 -8.762 65 H HIS 9 H HIS 9 8.132 0.662 -2.799 66 HA HIS 9 HA HIS 9 7.582 2.914 -0.996 67 HB2 HIS 9 HB2 HIS 9 6.502 0.650 -0.453 68 HB3 HIS 9 HB3 HIS 9 8.130 0.060 -0.137 69 HD1 HIS 9 HD3 HIS 9 8.933 0.392 2.241 70 HD2 HIS 9 HD2 HIS 9 5.738 2.815 1.278 71 HE1 HIS 9 HE1 HIS 9 8.328 1.628 4.369 72 H ALA 10 H ALA 10 9.309 3.279 0.626 73 HA ALA 10 HA ALA 10 11.901 3.112 -0.670 74 HB1 ALA 10 HB1 ALA 10 12.633 4.659 1.003 75 HB2 ALA 10 HB2 ALA 10 11.077 4.554 1.839 76 HB3 ALA 10 HB3 ALA 10 11.173 5.253 0.210 77 H LYS 11 H LYS 11 10.575 0.792 0.780 78 HA LYS 11 HA LYS 11 12.907 0.113 2.405 79 HB2 LYS 11 HB2 LYS 11 10.032 -0.518 3.122 80 HB3 LYS 11 HB3 LYS 11 11.426 -1.200 3.906 81 HG2 LYS 11 HG2 LYS 11 10.717 1.722 3.893 82 HG3 LYS 11 HG3 LYS 11 10.379 0.597 5.206 83 HD2 LYS 11 HD2 LYS 11 12.847 0.146 5.302 84 HD3 LYS 11 HD3 LYS 11 13.064 1.493 4.179 85 HE2 LYS 11 HE2 LYS 11 13.393 2.283 6.423 86 HE3 LYS 11 HE3 LYS 11 11.891 2.952 5.787 87 HZ1 LYS 11 HZ1 LYS 11 11.609 2.181 8.054 88 HZ2 LYS 11 HZ2 LYS 11 12.114 0.634 7.630 89 HZ3 LYS 11 HZ3 LYS 11 10.666 1.202 7.063 90 H LYS 12 H LYS 12 13.704 -1.785 1.874 91 HA LYS 12 HA LYS 12 12.859 -3.253 -0.349 92 HB2 LYS 12 HB2 LYS 12 15.130 -3.318 0.558 93 HB3 LYS 12 HB3 LYS 12 14.546 -4.095 2.019 94 HG2 LYS 12 HG2 LYS 12 13.852 -6.042 0.673 95 HG3 LYS 12 HG3 LYS 12 14.521 -5.259 -0.760 96 HD2 LYS 12 HD2 LYS 12 16.088 -5.979 1.721 97 HD3 LYS 12 HD3 LYS 12 16.058 -6.925 0.235 98 HE2 LYS 12 HE2 LYS 12 17.002 -5.031 -0.989 99 HE3 LYS 12 HE3 LYS 12 17.018 -4.070 0.480 100 HZ1 LYS 12 HZ1 LYS 12 18.606 -6.535 -0.017 101 HZ2 LYS 12 HZ2 LYS 12 18.551 -5.716 1.437 102 HZ3 LYS 12 HZ3 LYS 12 19.194 -4.961 0.098 103 H ASN 13 H ASN 13 12.546 -3.820 3.100 104 HA ASN 13 HA ASN 13 10.204 -5.486 2.577 105 HB2 ASN 13 HB2 ASN 13 12.351 -6.022 4.645 106 HB3 ASN 13 HB3 ASN 13 10.794 -6.838 4.603 107 HD21 ASN 13 HD21 ASN 13 10.387 -8.332 2.963 108 HD22 ASN 13 HD22 ASN 13 11.656 -8.957 1.979 109 HA PRO 14 HA PRO 14 8.879 -2.414 5.572 110 HB2 PRO 14 HB2 PRO 14 6.551 -1.863 4.094 111 HB3 PRO 14 HB3 PRO 14 8.031 -0.914 4.097 112 HG2 PRO 14 HG2 PRO 14 6.982 -2.397 1.938 113 HG3 PRO 14 HG3 PRO 14 8.563 -1.621 2.015 114 HD2 PRO 14 HD2 PRO 14 7.824 -4.464 2.447 115 HD3 PRO 14 HD3 PRO 14 9.339 -3.759 1.835 116 H SER 15 H SER 15 7.357 -2.680 7.116 117 HA SER 15 HA SER 15 5.934 -5.172 7.215 118 HB2 SER 15 HB2 SER 15 5.177 -4.254 9.450 119 HB3 SER 15 HB3 SER 15 6.928 -4.363 9.257 120 HG SER 15 HG SER 15 7.038 -2.199 8.946 121 H GLU 16 H GLU 16 3.515 -4.996 7.989 122 HA GLU 16 HA GLU 16 2.075 -3.923 5.834 123 HB2 GLU 16 HB2 GLU 16 1.042 -4.816 8.532 124 HB3 GLU 16 HB3 GLU 16 0.057 -4.558 7.096 125 HG2 GLU 16 HG2 GLU 16 1.273 -6.336 5.942 126 HG3 GLU 16 HG3 GLU 16 2.247 -6.606 7.382 127 H GLY 17 H GLY 17 2.736 -2.689 9.047 128 HA2 GLY 17 HA2 GLY 17 0.975 -0.495 8.983 129 HA3 GLY 17 HA3 GLY 17 2.417 -0.623 9.986 130 H GLU 18 H GLU 18 4.336 -0.820 7.951 131 HA GLU 18 HA GLU 18 4.744 1.914 7.326 132 HB2 GLU 18 HB2 GLU 18 6.084 -0.549 6.206 133 HB3 GLU 18 HB3 GLU 18 6.662 1.100 5.999 134 HG2 GLU 18 HG2 GLU 18 7.011 1.307 8.372 135 HG3 GLU 18 HG3 GLU 18 6.340 -0.299 8.633 136 H CYS 19 H CYS 19 3.848 -0.888 5.384 137 HA CYS 19 HA CYS 19 3.585 0.437 2.955 138 HB2 CYS 19 HB2 CYS 19 2.242 -2.043 4.003 139 HB3 CYS 19 HB3 CYS 19 2.042 -1.482 2.353 140 H LYS 20 H LYS 20 1.143 -0.179 5.496 141 HA LYS 20 HA LYS 20 -0.973 0.943 4.030 142 HB2 LYS 20 HB2 LYS 20 -1.273 -0.602 5.953 143 HB3 LYS 20 HB3 LYS 20 -0.714 0.657 7.033 144 HG2 LYS 20 HG2 LYS 20 -2.663 1.932 6.739 145 HG3 LYS 20 HG3 LYS 20 -3.131 1.031 5.292 146 HD2 LYS 20 HD2 LYS 20 -3.525 -0.963 6.627 147 HD3 LYS 20 HD3 LYS 20 -2.983 -0.120 8.079 148 HE2 LYS 20 HE2 LYS 20 -5.311 0.811 6.423 149 HE3 LYS 20 HE3 LYS 20 -5.487 -0.356 7.729 150 HZ1 LYS 20 HZ1 LYS 20 -5.906 2.010 8.370 151 HZ2 LYS 20 HZ2 LYS 20 -4.240 2.319 8.184 152 HZ3 LYS 20 HZ3 LYS 20 -4.786 1.199 9.286 153 H LYS 21 H LYS 21 1.298 2.344 6.295 154 HA LYS 21 HA LYS 21 0.256 4.926 6.472 155 HB2 LYS 21 HB2 LYS 21 2.000 4.213 7.931 156 HB3 LYS 21 HB3 LYS 21 3.082 3.857 6.594 157 HG2 LYS 21 HG2 LYS 21 3.804 5.851 7.729 158 HG3 LYS 21 HG3 LYS 21 3.214 6.273 6.124 159 HD2 LYS 21 HD2 LYS 21 1.106 7.014 7.077 160 HD3 LYS 21 HD3 LYS 21 1.656 6.548 8.689 161 HE2 LYS 21 HE2 LYS 21 1.916 8.942 8.374 162 HE3 LYS 21 HE3 LYS 21 3.493 8.171 8.515 163 HZ1 LYS 21 HZ1 LYS 21 3.497 9.786 6.747 164 HZ2 LYS 21 HZ2 LYS 21 2.191 9.057 5.995 165 HZ3 LYS 21 HZ3 LYS 21 3.681 8.260 6.074 166 H ALA 22 H ALA 22 2.572 3.548 4.152 167 HA ALA 22 HA ALA 22 2.903 5.926 2.645 168 HB1 ALA 22 HB1 ALA 22 4.005 4.528 1.005 169 HB2 ALA 22 HB2 ALA 22 3.369 3.084 1.791 170 HB3 ALA 22 HB3 ALA 22 4.534 4.104 2.633 171 H CYS 23 H CYS 23 0.944 3.003 2.089 172 HA CYS 23 HA CYS 23 -0.217 3.665 -0.337 173 HB2 CYS 23 HB2 CYS 23 -1.448 2.178 1.991 174 HB3 CYS 23 HB3 CYS 23 -2.134 2.231 0.375 175 H ALA 24 H ALA 24 -1.158 4.572 2.917 176 HA ALA 24 HA ALA 24 -3.535 5.887 2.220 177 HB1 ALA 24 HB1 ALA 24 -3.377 6.853 4.430 178 HB2 ALA 24 HB2 ALA 24 -1.698 6.311 4.549 179 HB3 ALA 24 HB3 ALA 24 -3.007 5.126 4.438 180 H ASP 25 H ASP 25 -0.305 7.136 3.010 181 HA ASP 25 HA ASP 25 -0.921 9.843 2.676 182 HB2 ASP 25 HB2 ASP 25 1.134 8.841 3.792 183 HB3 ASP 25 HB3 ASP 25 1.806 8.670 2.175 184 H ALA 26 H ALA 26 0.284 7.491 0.365 185 HA ALA 26 HA ALA 26 0.639 9.445 -1.694 186 HB1 ALA 26 HB1 ALA 26 0.629 6.442 -1.913 187 HB2 ALA 26 HB2 ALA 26 2.041 7.440 -1.567 188 HB3 ALA 26 HB3 ALA 26 1.222 7.581 -3.123 189 H PHE 27 H PHE 27 -2.118 7.647 -0.598 190 HA PHE 27 HA PHE 27 -3.321 8.081 -3.243 191 HB2 PHE 27 HB2 PHE 27 -3.760 5.883 -1.288 192 HB3 PHE 27 HB3 PHE 27 -5.060 6.330 -2.391 193 HD1 PHE 27 HD1 PHE 27 -1.739 4.744 -2.120 194 HD2 PHE 27 HD2 PHE 27 -4.789 6.108 -4.770 195 HE1 PHE 27 HE1 PHE 27 -0.766 3.453 -3.933 196 HE2 PHE 27 HE2 PHE 27 -3.789 4.816 -6.578 197 HZ PHE 27 HZ PHE 27 -1.774 3.477 -6.168 198 H ALA 28 H ALA 28 -4.002 8.326 0.190 199 HA ALA 28 HA ALA 28 -6.360 9.940 -0.489 200 HB1 ALA 28 HB1 ALA 28 -7.237 9.326 1.697 201 HB2 ALA 28 HB2 ALA 28 -5.768 8.416 2.040 202 HB3 ALA 28 HB3 ALA 28 -6.847 7.897 0.745 203 H ASN 29 H ASN 29 -3.303 10.370 0.152 204 HA ASN 29 HA ASN 29 -2.012 12.077 0.793 205 HB2 ASN 29 HB2 ASN 29 -4.636 13.546 1.061 206 HB3 ASN 29 HB3 ASN 29 -3.087 14.318 1.373 207 HD21 ASN 29 HD21 ASN 29 -5.081 14.900 -0.672 208 HD22 ASN 29 HD22 ASN 29 -4.270 14.792 -2.176 209 H GLY 30 H GLY 30 -3.327 10.208 2.813 210 HA2 GLY 30 HA2 GLY 30 -1.790 10.424 4.915 211 HA3 GLY 30 HA3 GLY 30 -2.838 11.804 5.224 212 H ASP 31 H ASP 31 -5.201 10.688 4.259 213 HA ASP 31 HA ASP 31 -6.117 9.309 6.529 214 HB2 ASP 31 HB2 ASP 31 -7.697 10.590 5.285 215 HB3 ASP 31 HB3 ASP 31 -7.349 9.697 3.808 216 H GLN 32 H GLN 32 -6.187 7.246 7.049 217 HA GLN 32 HA GLN 32 -5.187 5.300 5.121 218 HB2 GLN 32 HB2 GLN 32 -5.473 5.121 8.115 219 HB3 GLN 32 HB3 GLN 32 -4.869 3.834 7.087 220 HG2 GLN 32 HG2 GLN 32 -3.077 5.523 6.363 221 HG3 GLN 32 HG3 GLN 32 -3.603 6.461 7.754 222 HE21 GLN 32 HE21 GLN 32 -1.504 6.162 8.679 223 HE22 GLN 32 HE22 GLN 32 -1.114 4.657 9.426 224 H SER 33 H SER 33 -8.111 6.365 5.533 225 HA SER 33 HA SER 33 -9.458 3.904 6.291 226 HB2 SER 33 HB2 SER 33 -10.696 6.483 5.340 227 HB3 SER 33 HB3 SER 33 -11.436 5.222 6.330 228 HG SER 33 HG SER 33 -9.651 7.238 6.985 229 H LYS 34 H LYS 34 -8.670 5.860 3.549 230 HA LYS 34 HA LYS 34 -10.366 4.675 1.610 231 HB2 LYS 34 HB2 LYS 34 -9.215 6.875 1.389 232 HB3 LYS 34 HB3 LYS 34 -7.687 6.030 1.259 233 HG2 LYS 34 HG2 LYS 34 -8.444 6.786 -0.918 234 HG3 LYS 34 HG3 LYS 34 -8.424 5.025 -0.851 235 HD2 LYS 34 HD2 LYS 34 -10.825 4.967 -0.550 236 HD3 LYS 34 HD3 LYS 34 -10.886 6.729 -0.447 237 HE2 LYS 34 HE2 LYS 34 -10.172 6.933 -2.737 238 HE3 LYS 34 HE3 LYS 34 -9.922 5.192 -2.858 239 HZ1 LYS 34 HZ1 LYS 34 -12.548 6.519 -2.404 240 HZ2 LYS 34 HZ2 LYS 34 -12.270 4.862 -2.573 241 HZ3 LYS 34 HZ3 LYS 34 -12.006 5.887 -3.872 242 H ILE 35 H ILE 35 -7.560 3.587 3.164 243 HA ILE 35 HA ILE 35 -7.054 1.492 1.164 244 HB ILE 35 HB ILE 35 -5.288 2.460 3.440 245 HG12 ILE 35 HG12 ILE 35 -5.419 4.136 1.663 246 HG13 ILE 35 HG13 ILE 35 -3.823 3.400 1.696 247 HG21 ILE 35 HG21 ILE 35 -3.529 1.062 2.452 248 HG22 ILE 35 HG22 ILE 35 -4.685 0.459 1.265 249 HG23 ILE 35 HG23 ILE 35 -4.915 0.105 2.977 250 HD11 ILE 35 HD11 ILE 35 -4.578 3.725 -0.583 251 HD12 ILE 35 HD12 ILE 35 -6.037 2.792 -0.257 252 HD13 ILE 35 HD13 ILE 35 -4.461 1.998 -0.228 253 H ALA 36 H ALA 36 -7.841 -0.451 1.694 254 HA ALA 36 HA ALA 36 -8.990 -0.841 4.310 255 HB1 ALA 36 HB1 ALA 36 -8.887 -2.722 1.961 256 HB2 ALA 36 HB2 ALA 36 -10.184 -1.581 2.302 257 HB3 ALA 36 HB3 ALA 36 -9.873 -2.920 3.409 258 H LYS 37 H LYS 37 -6.400 -2.178 2.395 259 HA LYS 37 HA LYS 37 -5.121 -3.285 4.742 260 HB2 LYS 37 HB2 LYS 37 -6.610 -5.099 3.935 261 HB3 LYS 37 HB3 LYS 37 -5.951 -4.928 2.323 262 HG2 LYS 37 HG2 LYS 37 -5.046 -6.908 3.376 263 HG3 LYS 37 HG3 LYS 37 -3.762 -5.720 3.175 264 HD2 LYS 37 HD2 LYS 37 -3.911 -5.098 5.486 265 HD3 LYS 37 HD3 LYS 37 -5.314 -6.135 5.723 266 HE2 LYS 37 HE2 LYS 37 -3.266 -7.158 6.607 267 HE3 LYS 37 HE3 LYS 37 -3.950 -8.109 5.297 268 HZ1 LYS 37 HZ1 LYS 37 -1.452 -7.595 5.466 269 HZ2 LYS 37 HZ2 LYS 37 -1.803 -6.159 4.667 270 HZ3 LYS 37 HZ3 LYS 37 -2.157 -7.683 3.958 271 H ALA 38 H ALA 38 -2.878 -3.457 4.337 272 HA ALA 38 HA ALA 38 -1.981 -3.048 1.615 273 HB1 ALA 38 HB1 ALA 38 -0.253 -1.511 2.401 274 HB2 ALA 38 HB2 ALA 38 -0.955 -1.550 4.022 275 HB3 ALA 38 HB3 ALA 38 -1.870 -0.869 2.669 276 H GLU 39 H GLU 39 0.190 -3.908 1.355 277 HA GLU 39 HA GLU 39 1.218 -5.552 3.534 278 HB2 GLU 39 HB2 GLU 39 -0.821 -6.663 2.616 279 HB3 GLU 39 HB3 GLU 39 0.004 -6.789 1.082 280 HG2 GLU 39 HG2 GLU 39 1.604 -8.290 2.018 281 HG3 GLU 39 HG3 GLU 39 0.925 -8.054 3.637 282 H ASN 40 H ASN 40 3.266 -6.552 2.931 283 HA ASN 40 HA ASN 40 4.777 -5.149 0.980 284 HB2 ASN 40 HB2 ASN 40 5.825 -6.176 2.978 285 HB3 ASN 40 HB3 ASN 40 5.371 -7.770 2.398 286 HD21 ASN 40 HD21 ASN 40 6.693 -5.183 0.323 287 HD22 ASN 40 HD22 ASN 40 8.158 -6.020 0.010 288 H PHE 41 H PHE 41 4.809 -5.479 -1.130 289 HA PHE 41 HA PHE 41 3.384 -7.785 -2.217 290 HB2 PHE 41 HB2 PHE 41 2.750 -5.539 -3.014 291 HB3 PHE 41 HB3 PHE 41 4.398 -5.254 -3.526 292 HD1 PHE 41 HD1 PHE 41 5.091 -5.809 -5.690 293 HD2 PHE 41 HD2 PHE 41 1.461 -7.461 -4.173 294 HE1 PHE 41 HE1 PHE 41 4.572 -6.712 -7.909 295 HE2 PHE 41 HE2 PHE 41 0.950 -8.361 -6.397 296 HZ PHE 41 HZ PHE 41 2.502 -7.990 -8.267 297 H LYS 42 H LYS 42 6.442 -6.052 -2.571 298 HA LYS 42 HA LYS 42 7.873 -8.429 -3.250 299 HB2 LYS 42 HB2 LYS 42 6.822 -7.682 -5.424 300 HB3 LYS 42 HB3 LYS 42 7.582 -6.122 -5.228 301 HG2 LYS 42 HG2 LYS 42 9.797 -7.248 -5.380 302 HG3 LYS 42 HG3 LYS 42 8.944 -8.761 -5.702 303 HD2 LYS 42 HD2 LYS 42 7.904 -7.742 -7.675 304 HD3 LYS 42 HD3 LYS 42 8.776 -6.245 -7.355 305 HE2 LYS 42 HE2 LYS 42 9.924 -7.492 -9.075 306 HE3 LYS 42 HE3 LYS 42 10.906 -7.457 -7.617 307 HZ1 LYS 42 HZ1 LYS 42 10.156 -9.729 -7.119 308 HZ2 LYS 42 HZ2 LYS 42 10.883 -9.643 -8.628 309 HZ3 LYS 42 HZ3 LYS 42 9.215 -9.721 -8.521 310 H ASP 43 H ASP 43 10.267 -7.579 -3.549 311 HA ASP 43 HA ASP 43 11.095 -5.934 -1.478 312 HB2 ASP 43 HB2 ASP 43 12.466 -6.365 -4.160 313 HB3 ASP 43 HB3 ASP 43 13.223 -5.688 -2.734 314 H TYR 44 H TYR 44 10.696 -3.882 -1.158 315 HA TYR 44 HA TYR 44 10.437 -1.665 -1.398 316 HB2 TYR 44 HB2 TYR 44 11.557 -2.114 -4.161 317 HB3 TYR 44 HB3 TYR 44 11.083 -0.525 -3.576 318 HD1 TYR 44 HD1 TYR 44 12.265 0.479 -1.690 319 HD2 TYR 44 HD2 TYR 44 13.587 -3.132 -3.466 320 HE1 TYR 44 HE1 TYR 44 14.417 0.803 -0.639 321 HE2 TYR 44 HE2 TYR 44 15.772 -2.870 -2.436 322 HH TYR 44 HH TYR 44 16.360 -0.621 0.048 323 H TYR 45 H TYR 45 8.351 -3.696 -2.321 324 HA TYR 45 HA TYR 45 6.587 -1.618 -3.405 325 HB2 TYR 45 HB2 TYR 45 6.739 -4.477 -4.347 326 HB3 TYR 45 HB3 TYR 45 5.386 -3.412 -4.692 327 HD1 TYR 45 HD1 TYR 45 5.810 -1.322 -6.007 328 HD2 TYR 45 HD2 TYR 45 8.703 -4.408 -5.684 329 HE1 TYR 45 HE1 TYR 45 6.959 -0.444 -7.979 330 HE2 TYR 45 HE2 TYR 45 9.850 -3.542 -7.662 331 HH TYR 45 HH TYR 45 9.297 -2.191 -9.631 332 H CYS 46 H CYS 46 4.678 -1.470 -2.643 333 HA CYS 46 HA CYS 46 3.801 -3.461 -0.680 334 HB2 CYS 46 HB2 CYS 46 3.496 -0.460 -0.554 335 HB3 CYS 46 HB3 CYS 46 2.624 -1.581 0.483 336 H ASN 47 H ASN 47 1.858 -4.248 -1.011 337 HA ASN 47 HA ASN 47 0.383 -3.297 -3.327 338 HB2 ASN 47 HB2 ASN 47 0.770 -5.749 -3.023 339 HB3 ASN 47 HB3 ASN 47 -0.154 -5.671 -1.524 340 HD21 ASN 47 HD21 ASN 47 -1.662 -7.086 -2.292 341 HD22 ASN 47 HD22 ASN 47 -2.845 -6.685 -3.459 342 H CYS 48 H CYS 48 -1.159 -1.921 -3.069 343 HA CYS 48 HA CYS 48 -2.248 -1.495 -0.402 344 HB2 CYS 48 HB2 CYS 48 -2.382 0.316 -2.827 345 HB3 CYS 48 HB3 CYS 48 -2.786 0.689 -1.149 346 H HIS 49 H HIS 49 -4.310 -1.965 -0.043 347 HA HIS 49 HA HIS 49 -5.930 -2.877 -2.287 348 HB2 HIS 49 HB2 HIS 49 -6.307 -3.296 0.706 349 HB3 HIS 49 HB3 HIS 49 -7.314 -3.986 -0.557 350 HD1 HIS 49 HD3 HIS 49 -6.772 -6.390 -0.951 351 HD2 HIS 49 HD2 HIS 49 -3.439 -4.258 0.319 352 HE1 HIS 49 HE1 HIS 49 -4.926 -8.094 -0.679 353 H ILE 50 H ILE 50 -6.702 -1.095 -3.025 354 HA ILE 50 HA ILE 50 -7.388 1.128 -1.277 355 HB ILE 50 HB ILE 50 -7.651 1.100 -4.279 356 HG12 ILE 50 HG12 ILE 50 -5.115 1.763 -2.765 357 HG13 ILE 50 HG13 ILE 50 -5.375 0.218 -3.565 358 HG21 ILE 50 HG21 ILE 50 -6.941 3.177 -2.232 359 HG22 ILE 50 HG22 ILE 50 -8.529 3.001 -2.989 360 HG23 ILE 50 HG23 ILE 50 -7.125 3.490 -3.961 361 HD11 ILE 50 HD11 ILE 50 -4.044 1.714 -4.930 362 HD12 ILE 50 HD12 ILE 50 -5.337 2.913 -4.897 363 HD13 ILE 50 HD13 ILE 50 -5.590 1.364 -5.701 364 H ILE 51 H ILE 51 -9.445 1.518 -0.695 365 HA ILE 51 HA ILE 51 -11.568 -0.085 -1.796 366 HB ILE 51 HB ILE 51 -11.793 2.240 0.149 367 HG12 ILE 51 HG12 ILE 51 -11.585 -0.713 0.778 368 HG13 ILE 51 HG13 ILE 51 -10.289 0.458 1.020 369 HG21 ILE 51 HG21 ILE 51 -13.926 1.183 0.759 370 HG22 ILE 51 HG22 ILE 51 -13.642 -0.076 -0.441 371 HG23 ILE 51 HG23 ILE 51 -13.884 1.591 -0.961 372 HD11 ILE 51 HD11 ILE 51 -11.665 1.637 2.650 373 HD12 ILE 51 HD12 ILE 51 -11.460 -0.056 3.103 374 HD13 ILE 51 HD13 ILE 51 -12.974 0.490 2.383 375 H ILE 52 H ILE 52 -11.949 0.507 -3.834 376 HA ILE 52 HA ILE 52 -11.868 3.158 -4.844 377 HB ILE 52 HB ILE 52 -13.326 0.737 -5.961 378 HG12 ILE 52 HG12 ILE 52 -10.609 1.878 -6.660 379 HG13 ILE 52 HG13 ILE 52 -10.899 0.386 -5.774 380 HG21 ILE 52 HG21 ILE 52 -13.308 1.940 -8.112 381 HG22 ILE 52 HG22 ILE 52 -12.616 3.348 -7.305 382 HG23 ILE 52 HG23 ILE 52 -14.236 2.797 -6.878 383 HD11 ILE 52 HD11 ILE 52 -11.742 0.911 -8.616 384 HD12 ILE 52 HD12 ILE 52 -11.923 -0.609 -7.736 385 HD13 ILE 52 HD13 ILE 52 -10.315 0.008 -8.127 386 H HIS 53 H HIS 53 -14.509 0.979 -4.008 387 HA HIS 53 HA HIS 53 -16.172 3.233 -3.289 388 HB2 HIS 53 HB2 HIS 53 -16.616 2.683 -5.732 389 HB3 HIS 53 HB3 HIS 53 -17.115 1.083 -5.210 390 HD1 HIS 53 HD3 HIS 53 -18.474 4.315 -5.974 391 HD2 HIS 53 HD2 HIS 53 -19.393 1.287 -3.288 392 HE1 HIS 53 HE1 HIS 53 -20.862 4.701 -5.292 Start of MODEL 6 1 H1 GLU 1 1HT GLU 1 -13.423 -5.636 -3.560 2 H2 GLU 1 2HT GLU 1 -14.807 -5.803 -2.604 3 H3 GLU 1 3HT GLU 1 -13.354 -5.229 -1.934 4 HA GLU 1 HA GLU 1 -14.780 -3.803 -4.040 5 HB2 GLU 1 HB2 GLU 1 -15.518 -2.243 -2.234 6 HB3 GLU 1 HB3 GLU 1 -16.240 -3.831 -2.097 7 HG2 GLU 1 HG2 GLU 1 -14.643 -4.389 -0.322 8 HG3 GLU 1 HG3 GLU 1 -13.941 -2.780 -0.458 9 H GLU 2 H GLU 2 -11.907 -4.532 -3.671 10 HA GLU 2 HA GLU 2 -10.838 -1.870 -3.129 11 HB2 GLU 2 HB2 GLU 2 -9.323 -4.475 -2.865 12 HB3 GLU 2 HB3 GLU 2 -8.777 -2.877 -2.413 13 HG2 GLU 2 HG2 GLU 2 -9.248 -3.854 -0.368 14 HG3 GLU 2 HG3 GLU 2 -10.729 -2.966 -0.704 15 H THR 3 H THR 3 -9.037 -1.308 -4.371 16 HA THR 3 HA THR 3 -8.560 -2.831 -6.815 17 HB THR 3 HB THR 3 -8.232 0.153 -6.297 18 HG1 THR 3 HG1 THR 3 -10.167 -1.457 -7.439 19 HG21 THR 3 HG21 THR 3 -7.819 -1.423 -8.860 20 HG22 THR 3 HG22 THR 3 -6.539 -0.706 -7.883 21 HG23 THR 3 HG23 THR 3 -7.708 0.331 -8.702 22 H GLU 4 H GLU 4 -6.567 -3.661 -6.910 23 HA GLU 4 HA GLU 4 -4.781 -3.062 -4.691 24 HB2 GLU 4 HB2 GLU 4 -4.920 -5.386 -6.581 25 HB3 GLU 4 HB3 GLU 4 -3.653 -5.176 -5.381 26 HG2 GLU 4 HG2 GLU 4 -5.276 -5.254 -3.597 27 HG3 GLU 4 HG3 GLU 4 -6.589 -5.351 -4.771 28 H GLU 5 H GLU 5 -3.373 -1.601 -5.045 29 HA GLU 5 HA GLU 5 -2.041 -1.474 -7.664 30 HB2 GLU 5 HB2 GLU 5 -3.454 0.490 -7.101 31 HB3 GLU 5 HB3 GLU 5 -2.468 0.756 -5.673 32 HG2 GLU 5 HG2 GLU 5 -1.777 2.263 -7.388 33 HG3 GLU 5 HG3 GLU 5 -0.504 1.066 -7.137 34 HA PRO 6 HA PRO 6 1.553 -2.412 -4.999 35 HB2 PRO 6 HB2 PRO 6 2.918 -2.809 -7.547 36 HB3 PRO 6 HB3 PRO 6 2.650 -3.970 -6.245 37 HG2 PRO 6 HG2 PRO 6 1.394 -4.173 -8.625 38 HG3 PRO 6 HG3 PRO 6 0.632 -4.680 -7.107 39 HD2 PRO 6 HD2 PRO 6 0.249 -2.151 -8.672 40 HD3 PRO 6 HD3 PRO 6 -0.958 -3.191 -7.875 41 H ILE 7 H ILE 7 2.399 -0.642 -4.259 42 HA ILE 7 HA ILE 7 3.332 1.499 -6.058 43 HB ILE 7 HB ILE 7 3.220 2.990 -4.108 44 HG12 ILE 7 HG12 ILE 7 2.395 0.636 -2.436 45 HG13 ILE 7 HG13 ILE 7 4.091 1.098 -2.558 46 HG21 ILE 7 HG21 ILE 7 1.171 2.664 -5.205 47 HG22 ILE 7 HG22 ILE 7 0.960 2.769 -3.438 48 HG23 ILE 7 HG23 ILE 7 0.856 1.208 -4.248 49 HD11 ILE 7 HD11 ILE 7 3.072 2.014 -0.594 50 HD12 ILE 7 HD12 ILE 7 1.840 2.814 -1.600 51 HD13 ILE 7 HD13 ILE 7 3.545 3.277 -1.737 52 H ARG 8 H ARG 8 5.360 2.524 -5.426 53 HA ARG 8 HA ARG 8 7.371 0.571 -4.630 54 HB2 ARG 8 HB2 ARG 8 7.758 3.483 -5.440 55 HB3 ARG 8 HB3 ARG 8 8.990 2.245 -5.245 56 HG2 ARG 8 HG2 ARG 8 8.224 1.051 -7.131 57 HG3 ARG 8 HG3 ARG 8 6.855 2.151 -7.343 58 HD2 ARG 8 HD2 ARG 8 9.780 2.896 -7.510 59 HD3 ARG 8 HD3 ARG 8 8.710 2.653 -8.888 60 HE ARG 8 HE ARG 8 7.464 4.544 -7.369 61 HH11 ARG 8 HH11 ARG 8 10.720 4.364 -8.773 62 HH12 ARG 8 HH12 ARG 8 10.789 6.028 -9.114 63 HH21 ARG 8 HH21 ARG 8 7.620 6.842 -7.837 64 HH22 ARG 8 HH22 ARG 8 9.049 7.446 -8.543 65 H HIS 9 H HIS 9 8.305 0.598 -2.653 66 HA HIS 9 HA HIS 9 7.596 2.794 -0.817 67 HB2 HIS 9 HB2 HIS 9 6.416 0.605 -0.333 68 HB3 HIS 9 HB3 HIS 9 7.991 -0.140 -0.108 69 HD1 HIS 9 HD3 HIS 9 8.834 -0.118 2.251 70 HD2 HIS 9 HD2 HIS 9 5.861 2.679 1.619 71 HE1 HIS 9 HE1 HIS 9 8.403 1.009 4.495 72 H ALA 10 H ALA 10 9.270 3.186 0.863 73 HA ALA 10 HA ALA 10 11.896 3.068 -0.326 74 HB1 ALA 10 HB1 ALA 10 12.587 4.482 1.494 75 HB2 ALA 10 HB2 ALA 10 11.042 4.225 2.313 76 HB3 ALA 10 HB3 ALA 10 11.094 5.089 0.771 77 H LYS 11 H LYS 11 10.265 0.925 1.579 78 HA LYS 11 HA LYS 11 12.774 -0.098 2.665 79 HB2 LYS 11 HB2 LYS 11 10.034 -0.237 3.957 80 HB3 LYS 11 HB3 LYS 11 11.360 -1.268 4.443 81 HG2 LYS 11 HG2 LYS 11 11.170 0.544 6.011 82 HG3 LYS 11 HG3 LYS 11 12.651 0.762 5.087 83 HD2 LYS 11 HD2 LYS 11 11.535 2.443 3.701 84 HD3 LYS 11 HD3 LYS 11 10.037 2.206 4.593 85 HE2 LYS 11 HE2 LYS 11 12.639 3.203 5.735 86 HE3 LYS 11 HE3 LYS 11 11.233 4.194 5.350 87 HZ1 LYS 11 HZ1 LYS 11 11.282 3.688 7.685 88 HZ2 LYS 11 HZ2 LYS 11 11.371 2.049 7.390 89 HZ3 LYS 11 HZ3 LYS 11 9.961 2.891 6.993 90 H LYS 12 H LYS 12 13.235 -2.090 2.287 91 HA LYS 12 HA LYS 12 12.350 -3.425 0.060 92 HB2 LYS 12 HB2 LYS 12 14.526 -3.711 1.038 93 HB3 LYS 12 HB3 LYS 12 13.824 -4.401 2.490 94 HG2 LYS 12 HG2 LYS 12 13.034 -6.310 1.166 95 HG3 LYS 12 HG3 LYS 12 13.812 -5.611 -0.259 96 HD2 LYS 12 HD2 LYS 12 15.967 -5.704 0.861 97 HD3 LYS 12 HD3 LYS 12 15.203 -6.388 2.297 98 HE2 LYS 12 HE2 LYS 12 14.496 -8.321 1.013 99 HE3 LYS 12 HE3 LYS 12 15.213 -7.628 -0.439 100 HZ1 LYS 12 HZ1 LYS 12 16.636 -9.274 0.577 101 HZ2 LYS 12 HZ2 LYS 12 16.682 -8.391 2.012 102 HZ3 LYS 12 HZ3 LYS 12 17.374 -7.755 0.614 103 H ASN 13 H ASN 13 11.675 -4.139 3.425 104 HA ASN 13 HA ASN 13 9.354 -5.751 2.650 105 HB2 ASN 13 HB2 ASN 13 11.327 -7.289 2.967 106 HB3 ASN 13 HB3 ASN 13 11.440 -6.719 4.626 107 HD21 ASN 13 HD21 ASN 13 9.690 -8.651 2.385 108 HD22 ASN 13 HD22 ASN 13 8.684 -9.457 3.537 109 HA PRO 14 HA PRO 14 8.502 -3.032 6.207 110 HB2 PRO 14 HB2 PRO 14 6.390 -1.792 4.829 111 HB3 PRO 14 HB3 PRO 14 8.038 -1.192 4.931 112 HG2 PRO 14 HG2 PRO 14 6.763 -2.082 2.610 113 HG3 PRO 14 HG3 PRO 14 8.505 -1.847 2.813 114 HD2 PRO 14 HD2 PRO 14 6.890 -4.345 3.011 115 HD3 PRO 14 HD3 PRO 14 8.495 -4.066 2.285 116 H SER 15 H SER 15 6.537 -2.622 7.484 117 HA SER 15 HA SER 15 4.708 -4.860 7.517 118 HB2 SER 15 HB2 SER 15 4.049 -3.752 9.697 119 HB3 SER 15 HB3 SER 15 5.734 -4.263 9.623 120 HG SER 15 HG SER 15 5.047 -1.966 10.334 121 H GLU 16 H GLU 16 2.334 -3.991 8.214 122 HA GLU 16 HA GLU 16 1.529 -2.410 6.016 123 HB2 GLU 16 HB2 GLU 16 -0.025 -3.522 8.314 124 HB3 GLU 16 HB3 GLU 16 -0.752 -2.484 7.096 125 HG2 GLU 16 HG2 GLU 16 0.084 -4.130 5.385 126 HG3 GLU 16 HG3 GLU 16 0.450 -5.202 6.740 127 H GLY 17 H GLY 17 2.460 -1.635 9.183 128 HA2 GLY 17 HA2 GLY 17 1.197 0.864 9.436 129 HA3 GLY 17 HA3 GLY 17 2.782 0.470 10.109 130 H GLU 18 H GLU 18 4.382 0.061 8.167 131 HA GLU 18 HA GLU 18 5.053 2.514 7.032 132 HB2 GLU 18 HB2 GLU 18 5.840 -0.295 6.311 133 HB3 GLU 18 HB3 GLU 18 6.551 1.123 5.563 134 HG2 GLU 18 HG2 GLU 18 6.654 0.459 8.494 135 HG3 GLU 18 HG3 GLU 18 7.941 0.156 7.331 136 H CYS 19 H CYS 19 3.656 -0.384 5.501 137 HA CYS 19 HA CYS 19 3.482 0.899 3.026 138 HB2 CYS 19 HB2 CYS 19 2.227 -1.672 3.925 139 HB3 CYS 19 HB3 CYS 19 2.185 -1.071 2.269 140 H LYS 20 H LYS 20 0.898 0.405 5.501 141 HA LYS 20 HA LYS 20 -0.952 1.480 3.725 142 HB2 LYS 20 HB2 LYS 20 -1.068 1.291 6.733 143 HB3 LYS 20 HB3 LYS 20 -2.305 2.132 5.832 144 HG2 LYS 20 HG2 LYS 20 -2.646 -0.095 4.585 145 HG3 LYS 20 HG3 LYS 20 -1.693 -0.812 5.897 146 HD2 LYS 20 HD2 LYS 20 -3.214 0.153 7.544 147 HD3 LYS 20 HD3 LYS 20 -4.156 0.898 6.268 148 HE2 LYS 20 HE2 LYS 20 -5.372 -1.002 6.957 149 HE3 LYS 20 HE3 LYS 20 -4.640 -1.433 5.419 150 HZ1 LYS 20 HZ1 LYS 20 -3.058 -2.841 6.541 151 HZ2 LYS 20 HZ2 LYS 20 -4.544 -3.158 7.228 152 HZ3 LYS 20 HZ3 LYS 20 -3.470 -2.194 8.045 153 H LYS 21 H LYS 21 1.323 2.923 6.005 154 HA LYS 21 HA LYS 21 0.411 5.545 5.936 155 HB2 LYS 21 HB2 LYS 21 2.214 4.948 7.426 156 HB3 LYS 21 HB3 LYS 21 3.224 4.443 6.085 157 HG2 LYS 21 HG2 LYS 21 3.973 6.577 7.018 158 HG3 LYS 21 HG3 LYS 21 3.440 6.756 5.350 159 HD2 LYS 21 HD2 LYS 21 1.324 7.692 6.104 160 HD3 LYS 21 HD3 LYS 21 1.788 7.424 7.783 161 HE2 LYS 21 HE2 LYS 21 2.142 9.760 7.183 162 HE3 LYS 21 HE3 LYS 21 3.671 8.965 7.526 163 HZ1 LYS 21 HZ1 LYS 21 3.934 8.738 5.023 164 HZ2 LYS 21 HZ2 LYS 21 3.996 10.278 5.650 165 HZ3 LYS 21 HZ3 LYS 21 2.631 9.814 4.854 166 H ALA 22 H ALA 22 2.757 3.967 3.782 167 HA ALA 22 HA ALA 22 3.015 6.154 2.035 168 HB1 ALA 22 HB1 ALA 22 4.088 4.586 0.509 169 HB2 ALA 22 HB2 ALA 22 3.476 3.232 1.461 170 HB3 ALA 22 HB3 ALA 22 4.647 4.349 2.165 171 H CYS 23 H CYS 23 0.962 3.251 1.808 172 HA CYS 23 HA CYS 23 -0.251 3.742 -0.649 173 HB2 CYS 23 HB2 CYS 23 -1.444 2.466 1.816 174 HB3 CYS 23 HB3 CYS 23 -2.157 2.398 0.214 175 H ALA 24 H ALA 24 -1.121 4.902 2.559 176 HA ALA 24 HA ALA 24 -3.471 6.225 1.679 177 HB1 ALA 24 HB1 ALA 24 -3.179 5.451 3.964 178 HB2 ALA 24 HB2 ALA 24 -3.478 7.190 3.903 179 HB3 ALA 24 HB3 ALA 24 -1.845 6.583 4.178 180 H ASP 25 H ASP 25 -0.237 7.237 2.581 181 HA ASP 25 HA ASP 25 -0.528 9.991 2.490 182 HB2 ASP 25 HB2 ASP 25 1.387 8.610 3.378 183 HB3 ASP 25 HB3 ASP 25 1.945 8.467 1.720 184 H ALA 26 H ALA 26 0.415 7.754 -0.080 185 HA ALA 26 HA ALA 26 0.681 9.940 -1.958 186 HB1 ALA 26 HB1 ALA 26 1.565 8.287 -3.489 187 HB2 ALA 26 HB2 ALA 26 1.115 6.993 -2.380 188 HB3 ALA 26 HB3 ALA 26 2.354 8.159 -1.915 189 H PHE 27 H PHE 27 -1.972 8.222 -0.920 190 HA PHE 27 HA PHE 27 -3.217 8.518 -3.580 191 HB2 PHE 27 HB2 PHE 27 -3.469 6.161 -1.757 192 HB3 PHE 27 HB3 PHE 27 -4.746 6.553 -2.897 193 HD1 PHE 27 HD1 PHE 27 -1.699 4.723 -2.453 194 HD2 PHE 27 HD2 PHE 27 -3.979 6.904 -5.337 195 HE1 PHE 27 HE1 PHE 27 -0.594 3.543 -4.224 196 HE2 PHE 27 HE2 PHE 27 -2.822 5.726 -7.124 197 HZ PHE 27 HZ PHE 27 -1.115 4.032 -6.581 198 H ALA 28 H ALA 28 -3.862 8.385 -0.131 199 HA ALA 28 HA ALA 28 -6.405 9.807 -0.571 200 HB1 ALA 28 HB1 ALA 28 -5.629 7.882 1.623 201 HB2 ALA 28 HB2 ALA 28 -6.735 7.544 0.288 202 HB3 ALA 28 HB3 ALA 28 -7.158 8.750 1.508 203 H ASN 29 H ASN 29 -3.495 10.595 -0.025 204 HA ASN 29 HA ASN 29 -2.375 12.274 0.976 205 HB2 ASN 29 HB2 ASN 29 -5.168 13.214 1.636 206 HB3 ASN 29 HB3 ASN 29 -3.734 14.132 2.071 207 HD21 ASN 29 HD21 ASN 29 -4.318 15.839 0.781 208 HD22 ASN 29 HD22 ASN 29 -4.249 15.796 -0.940 209 H GLY 30 H GLY 30 -3.276 9.845 2.582 210 HA2 GLY 30 HA2 GLY 30 -1.840 9.542 4.611 211 HA3 GLY 30 HA3 GLY 30 -2.561 11.032 5.192 212 H ASP 31 H ASP 31 -5.167 9.814 3.868 213 HA ASP 31 HA ASP 31 -6.122 8.714 6.327 214 HB2 ASP 31 HB2 ASP 31 -7.643 9.985 4.851 215 HB3 ASP 31 HB3 ASP 31 -7.478 8.732 3.623 216 H GLN 32 H GLN 32 -5.752 6.750 7.012 217 HA GLN 32 HA GLN 32 -4.940 4.697 5.129 218 HB2 GLN 32 HB2 GLN 32 -4.952 4.709 8.146 219 HB3 GLN 32 HB3 GLN 32 -4.250 3.458 7.126 220 HG2 GLN 32 HG2 GLN 32 -2.661 5.066 6.227 221 HG3 GLN 32 HG3 GLN 32 -3.377 6.334 7.217 222 HE21 GLN 32 HE21 GLN 32 -1.394 3.563 7.169 223 HE22 GLN 32 HE22 GLN 32 -0.753 3.703 8.772 224 H SER 33 H SER 33 -7.828 5.721 6.116 225 HA SER 33 HA SER 33 -8.973 3.189 6.856 226 HB2 SER 33 HB2 SER 33 -10.248 5.876 6.334 227 HB3 SER 33 HB3 SER 33 -11.057 4.473 7.035 228 HG SER 33 HG SER 33 -9.809 4.623 8.823 229 H LYS 34 H LYS 34 -8.861 5.350 4.076 230 HA LYS 34 HA LYS 34 -10.587 3.818 2.415 231 HB2 LYS 34 HB2 LYS 34 -8.398 5.772 1.673 232 HB3 LYS 34 HB3 LYS 34 -9.587 5.125 0.550 233 HG2 LYS 34 HG2 LYS 34 -11.380 6.205 1.758 234 HG3 LYS 34 HG3 LYS 34 -10.255 6.748 2.999 235 HD2 LYS 34 HD2 LYS 34 -10.742 8.594 1.528 236 HD3 LYS 34 HD3 LYS 34 -9.074 8.092 1.271 237 HE2 LYS 34 HE2 LYS 34 -10.074 8.539 -0.856 238 HE3 LYS 34 HE3 LYS 34 -9.851 6.797 -0.717 239 HZ1 LYS 34 HZ1 LYS 34 -12.398 8.270 -0.302 240 HZ2 LYS 34 HZ2 LYS 34 -12.196 6.617 -0.126 241 HZ3 LYS 34 HZ3 LYS 34 -12.001 7.331 -1.639 242 H ILE 35 H ILE 35 -7.515 3.241 3.543 243 HA ILE 35 HA ILE 35 -6.868 1.364 1.385 244 HB ILE 35 HB ILE 35 -5.163 2.194 3.764 245 HG12 ILE 35 HG12 ILE 35 -5.487 4.114 2.281 246 HG13 ILE 35 HG13 ILE 35 -3.833 3.531 2.163 247 HG21 ILE 35 HG21 ILE 35 -4.580 -0.011 2.919 248 HG22 ILE 35 HG22 ILE 35 -3.304 1.147 2.539 249 HG23 ILE 35 HG23 ILE 35 -4.432 0.634 1.283 250 HD11 ILE 35 HD11 ILE 35 -4.403 2.408 0.052 251 HD12 ILE 35 HD12 ILE 35 -4.691 4.146 -0.015 252 HD13 ILE 35 HD13 ILE 35 -6.046 3.034 0.179 253 H ALA 36 H ALA 36 -7.891 -0.494 1.733 254 HA ALA 36 HA ALA 36 -8.932 -1.279 4.264 255 HB1 ALA 36 HB1 ALA 36 -8.662 -2.879 1.725 256 HB2 ALA 36 HB2 ALA 36 -10.037 -1.863 2.166 257 HB3 ALA 36 HB3 ALA 36 -9.663 -3.301 3.114 258 H LYS 37 H LYS 37 -6.195 -2.289 2.332 259 HA LYS 37 HA LYS 37 -4.906 -3.459 4.611 260 HB2 LYS 37 HB2 LYS 37 -6.415 -5.290 3.814 261 HB3 LYS 37 HB3 LYS 37 -5.691 -5.168 2.222 262 HG2 LYS 37 HG2 LYS 37 -3.518 -5.840 3.207 263 HG3 LYS 37 HG3 LYS 37 -4.324 -6.050 4.760 264 HD2 LYS 37 HD2 LYS 37 -5.773 -7.758 3.776 265 HD3 LYS 37 HD3 LYS 37 -4.990 -7.526 2.212 266 HE2 LYS 37 HE2 LYS 37 -3.645 -8.495 4.739 267 HE3 LYS 37 HE3 LYS 37 -4.117 -9.491 3.369 268 HZ1 LYS 37 HZ1 LYS 37 -1.758 -8.936 3.304 269 HZ2 LYS 37 HZ2 LYS 37 -2.095 -7.301 3.277 270 HZ3 LYS 37 HZ3 LYS 37 -2.571 -8.297 1.978 271 H ALA 38 H ALA 38 -2.693 -4.022 4.007 272 HA ALA 38 HA ALA 38 -1.840 -3.207 1.349 273 HB1 ALA 38 HB1 ALA 38 -1.289 -1.379 2.841 274 HB2 ALA 38 HB2 ALA 38 0.184 -2.241 2.389 275 HB3 ALA 38 HB3 ALA 38 -0.534 -2.491 3.986 276 H GLU 39 H GLU 39 0.072 -4.396 0.759 277 HA GLU 39 HA GLU 39 0.860 -6.543 2.570 278 HB2 GLU 39 HB2 GLU 39 -1.065 -7.425 1.270 279 HB3 GLU 39 HB3 GLU 39 -0.193 -7.095 -0.217 280 HG2 GLU 39 HG2 GLU 39 -0.098 -9.466 0.435 281 HG3 GLU 39 HG3 GLU 39 1.497 -8.716 0.364 282 H ASN 40 H ASN 40 2.906 -7.316 2.130 283 HA ASN 40 HA ASN 40 4.547 -5.628 0.503 284 HB2 ASN 40 HB2 ASN 40 5.603 -6.644 2.452 285 HB3 ASN 40 HB3 ASN 40 5.189 -8.256 1.876 286 HD21 ASN 40 HD21 ASN 40 7.225 -5.475 1.311 287 HD22 ASN 40 HD22 ASN 40 8.414 -6.279 0.361 288 H PHE 41 H PHE 41 4.615 -5.699 -1.525 289 HA PHE 41 HA PHE 41 3.445 -7.911 -2.967 290 HB2 PHE 41 HB2 PHE 41 2.812 -5.648 -3.603 291 HB3 PHE 41 HB3 PHE 41 4.495 -5.225 -3.868 292 HD1 PHE 41 HD1 PHE 41 1.645 -7.160 -5.168 293 HD2 PHE 41 HD2 PHE 41 5.617 -5.807 -5.888 294 HE1 PHE 41 HE1 PHE 41 1.458 -7.839 -7.517 295 HE2 PHE 41 HE2 PHE 41 5.446 -6.483 -8.213 296 HZ PHE 41 HZ PHE 41 3.360 -7.505 -9.052 297 H LYS 42 H LYS 42 6.514 -6.270 -2.588 298 HA LYS 42 HA LYS 42 8.061 -8.466 -3.343 299 HB2 LYS 42 HB2 LYS 42 7.188 -7.793 -5.596 300 HB3 LYS 42 HB3 LYS 42 7.790 -6.174 -5.340 301 HG2 LYS 42 HG2 LYS 42 9.151 -7.517 -6.873 302 HG3 LYS 42 HG3 LYS 42 10.057 -6.943 -5.477 303 HD2 LYS 42 HD2 LYS 42 9.906 -9.127 -4.439 304 HD3 LYS 42 HD3 LYS 42 8.850 -9.709 -5.724 305 HE2 LYS 42 HE2 LYS 42 11.692 -8.780 -6.063 306 HE3 LYS 42 HE3 LYS 42 11.180 -10.466 -6.005 307 HZ1 LYS 42 HZ1 LYS 42 11.466 -9.727 -8.271 308 HZ2 LYS 42 HZ2 LYS 42 10.395 -8.459 -8.054 309 HZ3 LYS 42 HZ3 LYS 42 9.833 -10.050 -7.990 310 H ASP 43 H ASP 43 10.414 -7.475 -3.548 311 HA ASP 43 HA ASP 43 11.022 -6.002 -1.277 312 HB2 ASP 43 HB2 ASP 43 12.647 -6.222 -3.820 313 HB3 ASP 43 HB3 ASP 43 13.269 -5.826 -2.225 314 H TYR 44 H TYR 44 10.546 -3.992 -0.901 315 HA TYR 44 HA TYR 44 10.349 -1.743 -1.045 316 HB2 TYR 44 HB2 TYR 44 11.724 -2.069 -3.721 317 HB3 TYR 44 HB3 TYR 44 11.225 -0.512 -3.080 318 HD1 TYR 44 HD1 TYR 44 12.342 0.431 -1.150 319 HD2 TYR 44 HD2 TYR 44 13.656 -3.214 -2.867 320 HE1 TYR 44 HE1 TYR 44 14.448 0.662 0.040 321 HE2 TYR 44 HE2 TYR 44 15.790 -3.020 -1.677 322 HH TYR 44 HH TYR 44 16.234 -0.940 0.856 323 H TYR 45 H TYR 45 8.363 -3.713 -2.127 324 HA TYR 45 HA TYR 45 6.681 -1.683 -3.403 325 HB2 TYR 45 HB2 TYR 45 7.037 -4.528 -4.328 326 HB3 TYR 45 HB3 TYR 45 5.671 -3.528 -4.785 327 HD1 TYR 45 HD1 TYR 45 9.089 -4.395 -5.507 328 HD2 TYR 45 HD2 TYR 45 6.106 -1.433 -6.060 329 HE1 TYR 45 HE1 TYR 45 10.339 -3.523 -7.414 330 HE2 TYR 45 HE2 TYR 45 7.349 -0.530 -7.979 331 HH TYR 45 HH TYR 45 9.861 -2.223 -9.461 332 H CYS 46 H CYS 46 4.725 -1.588 -2.712 333 HA CYS 46 HA CYS 46 3.695 -3.822 -1.207 334 HB2 CYS 46 HB2 CYS 46 4.003 -1.097 -0.093 335 HB3 CYS 46 HB3 CYS 46 2.470 -1.906 0.241 336 H ASN 47 H ASN 47 1.767 -4.382 -1.458 337 HA ASN 47 HA ASN 47 0.318 -3.198 -3.664 338 HB2 ASN 47 HB2 ASN 47 0.697 -5.644 -3.581 339 HB3 ASN 47 HB3 ASN 47 -0.159 -5.711 -2.048 340 HD21 ASN 47 HD21 ASN 47 -2.399 -5.697 -2.053 341 HD22 ASN 47 HD22 ASN 47 -3.297 -5.810 -3.501 342 H CYS 48 H CYS 48 -0.937 -1.625 -3.180 343 HA CYS 48 HA CYS 48 -2.102 -1.350 -0.557 344 HB2 CYS 48 HB2 CYS 48 -2.213 0.464 -2.985 345 HB3 CYS 48 HB3 CYS 48 -2.691 0.855 -1.331 346 H HIS 49 H HIS 49 -4.165 -1.822 -0.146 347 HA HIS 49 HA HIS 49 -5.843 -2.667 -2.393 348 HB2 HIS 49 HB2 HIS 49 -6.188 -3.228 0.583 349 HB3 HIS 49 HB3 HIS 49 -7.190 -3.865 -0.709 350 HD1 HIS 49 HD3 HIS 49 -6.665 -6.307 -1.088 351 HD2 HIS 49 HD2 HIS 49 -3.314 -4.122 0.041 352 HE1 HIS 49 HE1 HIS 49 -4.795 -7.959 -0.904 353 H ILE 50 H ILE 50 -6.586 -0.750 -3.008 354 HA ILE 50 HA ILE 50 -7.415 1.180 -1.005 355 HB ILE 50 HB ILE 50 -7.555 1.529 -4.010 356 HG12 ILE 50 HG12 ILE 50 -5.182 2.153 -2.219 357 HG13 ILE 50 HG13 ILE 50 -5.250 0.790 -3.328 358 HG21 ILE 50 HG21 ILE 50 -7.172 3.383 -1.684 359 HG22 ILE 50 HG22 ILE 50 -8.691 3.161 -2.560 360 HG23 ILE 50 HG23 ILE 50 -7.290 3.900 -3.369 361 HD11 ILE 50 HD11 ILE 50 -3.969 2.630 -4.261 362 HD12 ILE 50 HD12 ILE 50 -5.360 3.701 -4.092 363 HD13 ILE 50 HD13 ILE 50 -5.425 2.338 -5.212 364 H ILE 51 H ILE 51 -9.474 1.339 -0.409 365 HA ILE 51 HA ILE 51 -11.488 -0.351 -1.489 366 HB ILE 51 HB ILE 51 -11.773 2.061 0.341 367 HG12 ILE 51 HG12 ILE 51 -11.605 -0.878 1.027 368 HG13 ILE 51 HG13 ILE 51 -10.307 0.289 1.256 369 HG21 ILE 51 HG21 ILE 51 -13.884 1.480 -0.722 370 HG22 ILE 51 HG22 ILE 51 -13.913 1.058 0.990 371 HG23 ILE 51 HG23 ILE 51 -13.691 -0.203 -0.222 372 HD11 ILE 51 HD11 ILE 51 -12.989 0.322 2.630 373 HD12 ILE 51 HD12 ILE 51 -11.698 1.501 2.867 374 HD13 ILE 51 HD13 ILE 51 -11.456 -0.180 3.344 375 H ILE 52 H ILE 52 -12.761 0.016 -3.163 376 HA ILE 52 HA ILE 52 -12.373 2.237 -4.864 377 HB ILE 52 HB ILE 52 -14.564 0.136 -4.923 378 HG12 ILE 52 HG12 ILE 52 -11.929 0.288 -6.402 379 HG13 ILE 52 HG13 ILE 52 -12.264 -0.754 -5.028 380 HG21 ILE 52 HG21 ILE 52 -15.182 2.094 -6.263 381 HG22 ILE 52 HG22 ILE 52 -14.803 0.720 -7.301 382 HG23 ILE 52 HG23 ILE 52 -13.631 2.022 -7.101 383 HD11 ILE 52 HD11 ILE 52 -13.932 -1.937 -6.323 384 HD12 ILE 52 HD12 ILE 52 -12.363 -1.964 -7.133 385 HD13 ILE 52 HD13 ILE 52 -13.632 -0.876 -7.699 386 H HIS 53 H HIS 53 -14.700 1.566 -2.396 387 HA HIS 53 HA HIS 53 -16.581 3.591 -3.125 388 HB2 HIS 53 HB2 HIS 53 -16.181 2.275 -0.421 389 HB3 HIS 53 HB3 HIS 53 -17.594 3.187 -0.926 390 HD1 HIS 53 HD3 HIS 53 -19.170 1.960 -2.728 391 HD2 HIS 53 HD2 HIS 53 -16.148 -0.361 -1.077 392 HE1 HIS 53 HE1 HIS 53 -19.747 -0.429 -3.264 Start of MODEL 7 1 H1 GLU 1 1HT GLU 1 -15.727 -2.401 -2.125 2 H2 GLU 1 2HT GLU 1 -17.030 -2.396 -3.172 3 H3 GLU 1 3HT GLU 1 -16.069 -1.025 -3.047 4 HA GLU 1 HA GLU 1 -15.240 -3.656 -4.088 5 HB2 GLU 1 HB2 GLU 1 -16.739 -2.346 -5.579 6 HB3 GLU 1 HB3 GLU 1 -15.605 -1.006 -5.489 7 HG2 GLU 1 HG2 GLU 1 -15.419 -2.293 -7.575 8 HG3 GLU 1 HG3 GLU 1 -13.927 -2.281 -6.637 9 H GLU 2 H GLU 2 -13.244 -4.036 -3.564 10 HA GLU 2 HA GLU 2 -11.305 -1.889 -3.047 11 HB2 GLU 2 HB2 GLU 2 -11.187 -4.857 -2.571 12 HB3 GLU 2 HB3 GLU 2 -9.920 -3.719 -2.168 13 HG2 GLU 2 HG2 GLU 2 -11.305 -2.698 -0.504 14 HG3 GLU 2 HG3 GLU 2 -12.680 -3.697 -0.999 15 H THR 3 H THR 3 -9.228 -2.031 -4.064 16 HA THR 3 HA THR 3 -8.872 -4.042 -6.106 17 HB THR 3 HB THR 3 -8.613 -1.074 -6.747 18 HG1 THR 3 HG1 THR 3 -10.703 -2.768 -6.784 19 HG21 THR 3 HG21 THR 3 -8.361 -3.535 -8.505 20 HG22 THR 3 HG22 THR 3 -7.025 -2.500 -7.998 21 HG23 THR 3 HG23 THR 3 -8.278 -1.869 -9.068 22 H GLU 4 H GLU 4 -6.766 -4.634 -6.329 23 HA GLU 4 HA GLU 4 -4.873 -3.698 -4.371 24 HB2 GLU 4 HB2 GLU 4 -4.623 -5.729 -6.587 25 HB3 GLU 4 HB3 GLU 4 -3.420 -5.428 -5.349 26 HG2 GLU 4 HG2 GLU 4 -4.974 -6.192 -3.643 27 HG3 GLU 4 HG3 GLU 4 -6.197 -6.477 -4.888 28 H GLU 5 H GLU 5 -3.246 -2.374 -4.754 29 HA GLU 5 HA GLU 5 -2.432 -1.791 -7.491 30 HB2 GLU 5 HB2 GLU 5 -4.132 -0.108 -6.820 31 HB3 GLU 5 HB3 GLU 5 -3.138 0.322 -5.443 32 HG2 GLU 5 HG2 GLU 5 -2.969 1.915 -7.306 33 HG3 GLU 5 HG3 GLU 5 -1.424 1.179 -6.879 34 HA PRO 6 HA PRO 6 1.368 -2.414 -5.051 35 HB2 PRO 6 HB2 PRO 6 2.631 -2.601 -7.683 36 HB3 PRO 6 HB3 PRO 6 2.537 -3.816 -6.407 37 HG2 PRO 6 HG2 PRO 6 1.175 -4.050 -8.722 38 HG3 PRO 6 HG3 PRO 6 0.551 -4.670 -7.184 39 HD2 PRO 6 HD2 PRO 6 -0.183 -2.162 -8.649 40 HD3 PRO 6 HD3 PRO 6 -1.211 -3.326 -7.785 41 H ILE 7 H ILE 7 2.220 -0.660 -4.266 42 HA ILE 7 HA ILE 7 3.044 1.579 -6.011 43 HB ILE 7 HB ILE 7 2.840 3.043 -4.045 44 HG12 ILE 7 HG12 ILE 7 2.097 0.638 -2.400 45 HG13 ILE 7 HG13 ILE 7 3.773 1.166 -2.511 46 HG21 ILE 7 HG21 ILE 7 0.622 2.783 -3.419 47 HG22 ILE 7 HG22 ILE 7 0.538 1.204 -4.222 48 HG23 ILE 7 HG23 ILE 7 0.834 2.672 -5.170 49 HD11 ILE 7 HD11 ILE 7 2.701 2.030 -0.544 50 HD12 ILE 7 HD12 ILE 7 1.467 2.808 -1.562 51 HD13 ILE 7 HD13 ILE 7 3.160 3.314 -1.668 52 H ARG 8 H ARG 8 4.991 2.716 -5.116 53 HA ARG 8 HA ARG 8 7.148 0.842 -4.550 54 HB2 ARG 8 HB2 ARG 8 7.158 3.839 -4.923 55 HB3 ARG 8 HB3 ARG 8 8.554 2.779 -4.852 56 HG2 ARG 8 HG2 ARG 8 8.106 1.857 -6.947 57 HG3 ARG 8 HG3 ARG 8 6.463 2.520 -6.978 58 HD2 ARG 8 HD2 ARG 8 8.987 4.173 -6.944 59 HD3 ARG 8 HD3 ARG 8 8.059 3.782 -8.394 60 HE ARG 8 HE ARG 8 6.183 4.952 -7.394 61 HH11 ARG 8 HH11 ARG 8 9.359 5.715 -5.943 62 HH12 ARG 8 HH12 ARG 8 8.914 7.297 -5.505 63 HH21 ARG 8 HH21 ARG 8 5.608 7.114 -6.745 64 HH22 ARG 8 HH22 ARG 8 6.765 8.109 -5.980 65 H HIS 9 H HIS 9 8.329 0.920 -2.611 66 HA HIS 9 HA HIS 9 7.563 2.911 -0.620 67 HB2 HIS 9 HB2 HIS 9 6.354 0.746 -0.150 68 HB3 HIS 9 HB3 HIS 9 7.924 -0.034 0.002 69 HD1 HIS 9 HD3 HIS 9 9.448 0.902 2.073 70 HD2 HIS 9 HD2 HIS 9 5.428 1.917 2.094 71 HE1 HIS 9 HE1 HIS 9 8.931 1.678 4.421 72 H ALA 10 H ALA 10 9.336 3.681 0.470 73 HA ALA 10 HA ALA 10 11.877 2.767 -0.522 74 HB1 ALA 10 HB1 ALA 10 12.867 4.671 0.530 75 HB2 ALA 10 HB2 ALA 10 11.349 5.061 1.352 76 HB3 ALA 10 HB3 ALA 10 11.461 5.155 -0.412 77 H LYS 11 H LYS 11 11.568 0.680 0.529 78 HA LYS 11 HA LYS 11 13.472 0.305 2.480 79 HB2 LYS 11 HB2 LYS 11 11.694 1.110 4.054 80 HB3 LYS 11 HB3 LYS 11 10.611 -0.129 3.440 81 HG2 LYS 11 HG2 LYS 11 12.014 -1.873 4.329 82 HG3 LYS 11 HG3 LYS 11 13.227 -0.693 4.824 83 HD2 LYS 11 HD2 LYS 11 10.400 -0.801 5.884 84 HD3 LYS 11 HD3 LYS 11 11.796 -1.513 6.696 85 HE2 LYS 11 HE2 LYS 11 11.390 1.422 6.067 86 HE3 LYS 11 HE3 LYS 11 11.231 0.664 7.646 87 HZ1 LYS 11 HZ1 LYS 11 13.607 0.086 7.529 88 HZ2 LYS 11 HZ2 LYS 11 13.357 1.740 7.450 89 HZ3 LYS 11 HZ3 LYS 11 13.741 0.891 6.057 90 H LYS 12 H LYS 12 14.097 -1.800 2.269 91 HA LYS 12 HA LYS 12 13.326 -3.202 0.017 92 HB2 LYS 12 HB2 LYS 12 15.473 -3.514 1.207 93 HB3 LYS 12 HB3 LYS 12 14.621 -4.344 2.498 94 HG2 LYS 12 HG2 LYS 12 13.920 -6.075 0.882 95 HG3 LYS 12 HG3 LYS 12 14.871 -5.261 -0.360 96 HD2 LYS 12 HD2 LYS 12 16.887 -5.571 1.004 97 HD3 LYS 12 HD3 LYS 12 15.930 -6.417 2.218 98 HE2 LYS 12 HE2 LYS 12 16.393 -7.280 -0.638 99 HE3 LYS 12 HE3 LYS 12 17.097 -8.008 0.803 100 HZ1 LYS 12 HZ1 LYS 12 15.259 -9.340 0.101 101 HZ2 LYS 12 HZ2 LYS 12 14.265 -8.022 -0.052 102 HZ3 LYS 12 HZ3 LYS 12 14.738 -8.527 1.495 103 H ASN 13 H ASN 13 12.510 -3.992 3.382 104 HA ASN 13 HA ASN 13 10.111 -5.258 2.339 105 HB2 ASN 13 HB2 ASN 13 11.743 -7.059 2.807 106 HB3 ASN 13 HB3 ASN 13 11.868 -6.501 4.469 107 HD21 ASN 13 HD21 ASN 13 9.814 -8.050 2.131 108 HD22 ASN 13 HD22 ASN 13 8.698 -8.718 3.278 109 HA PRO 14 HA PRO 14 8.899 -2.354 5.660 110 HB2 PRO 14 HB2 PRO 14 6.660 -1.524 4.385 111 HB3 PRO 14 HB3 PRO 14 8.246 -0.795 4.111 112 HG2 PRO 14 HG2 PRO 14 6.784 -2.824 2.480 113 HG3 PRO 14 HG3 PRO 14 7.714 -1.415 1.946 114 HD2 PRO 14 HD2 PRO 14 8.695 -3.918 1.883 115 HD3 PRO 14 HD3 PRO 14 9.718 -2.499 2.161 116 H SER 15 H SER 15 7.030 -2.408 6.981 117 HA SER 15 HA SER 15 5.822 -5.027 7.142 118 HB2 SER 15 HB2 SER 15 5.580 -2.656 8.995 119 HB3 SER 15 HB3 SER 15 5.314 -4.360 9.377 120 HG SER 15 HG SER 15 7.542 -4.678 8.777 121 H GLU 16 H GLU 16 3.413 -4.970 7.832 122 HA GLU 16 HA GLU 16 1.815 -4.020 5.778 123 HB2 GLU 16 HB2 GLU 16 1.207 -5.896 7.244 124 HB3 GLU 16 HB3 GLU 16 1.010 -4.791 8.594 125 HG2 GLU 16 HG2 GLU 16 -0.875 -3.738 7.448 126 HG3 GLU 16 HG3 GLU 16 -0.658 -4.828 6.083 127 H GLY 17 H GLY 17 2.278 -2.662 9.028 128 HA2 GLY 17 HA2 GLY 17 0.511 -0.491 8.768 129 HA3 GLY 17 HA3 GLY 17 1.868 -0.566 9.883 130 H GLU 18 H GLU 18 3.930 -0.789 8.019 131 HA GLU 18 HA GLU 18 4.450 1.891 7.317 132 HB2 GLU 18 HB2 GLU 18 5.745 -0.632 6.266 133 HB3 GLU 18 HB3 GLU 18 6.363 0.985 5.988 134 HG2 GLU 18 HG2 GLU 18 6.144 -0.465 8.605 135 HG3 GLU 18 HG3 GLU 18 7.614 -0.019 7.739 136 H CYS 19 H CYS 19 3.675 -0.907 5.307 137 HA CYS 19 HA CYS 19 3.478 0.434 2.892 138 HB2 CYS 19 HB2 CYS 19 2.173 -2.083 3.888 139 HB3 CYS 19 HB3 CYS 19 1.976 -1.512 2.240 140 H LYS 20 H LYS 20 0.998 -0.215 5.346 141 HA LYS 20 HA LYS 20 -1.151 0.765 3.836 142 HB2 LYS 20 HB2 LYS 20 -1.133 -0.629 6.029 143 HB3 LYS 20 HB3 LYS 20 -1.056 0.932 6.836 144 HG2 LYS 20 HG2 LYS 20 -3.129 1.604 5.756 145 HG3 LYS 20 HG3 LYS 20 -3.201 0.056 4.921 146 HD2 LYS 20 HD2 LYS 20 -3.253 -1.060 7.158 147 HD3 LYS 20 HD3 LYS 20 -3.388 0.544 7.888 148 HE2 LYS 20 HE2 LYS 20 -5.385 0.906 6.382 149 HE3 LYS 20 HE3 LYS 20 -5.289 -0.792 5.991 150 HZ1 LYS 20 HZ1 LYS 20 -6.895 -0.345 7.758 151 HZ2 LYS 20 HZ2 LYS 20 -5.660 0.247 8.743 152 HZ3 LYS 20 HZ3 LYS 20 -5.667 -1.368 8.300 153 H LYS 21 H LYS 21 1.091 2.348 6.015 154 HA LYS 21 HA LYS 21 -0.119 4.902 6.009 155 HB2 LYS 21 HB2 LYS 21 1.575 4.253 7.644 156 HB3 LYS 21 HB3 LYS 21 2.776 4.132 6.370 157 HG2 LYS 21 HG2 LYS 21 2.645 6.530 5.990 158 HG3 LYS 21 HG3 LYS 21 1.368 6.673 7.199 159 HD2 LYS 21 HD2 LYS 21 3.493 7.351 8.158 160 HD3 LYS 21 HD3 LYS 21 2.935 5.866 8.925 161 HE2 LYS 21 HE2 LYS 21 5.311 5.711 8.492 162 HE3 LYS 21 HE3 LYS 21 4.461 4.571 7.462 163 HZ1 LYS 21 HZ1 LYS 21 5.561 7.212 6.634 164 HZ2 LYS 21 HZ2 LYS 21 4.684 6.212 5.616 165 HZ3 LYS 21 HZ3 LYS 21 6.157 5.705 6.222 166 H ALA 22 H ALA 22 2.395 3.447 3.984 167 HA ALA 22 HA ALA 22 2.898 5.716 2.399 168 HB1 ALA 22 HB1 ALA 22 3.976 4.150 0.854 169 HB2 ALA 22 HB2 ALA 22 3.239 2.800 1.715 170 HB3 ALA 22 HB3 ALA 22 4.427 3.819 2.526 171 H CYS 23 H CYS 23 0.738 2.953 1.929 172 HA CYS 23 HA CYS 23 -0.322 3.677 -0.554 173 HB2 CYS 23 HB2 CYS 23 -1.649 2.203 1.720 174 HB3 CYS 23 HB3 CYS 23 -2.247 2.260 0.066 175 H ALA 24 H ALA 24 -1.265 4.578 2.709 176 HA ALA 24 HA ALA 24 -3.548 6.066 2.026 177 HB1 ALA 24 HB1 ALA 24 -2.996 5.319 4.299 178 HB2 ALA 24 HB2 ALA 24 -3.282 7.059 4.227 179 HB3 ALA 24 HB3 ALA 24 -1.633 6.436 4.324 180 H ASP 25 H ASP 25 -0.255 7.011 2.751 181 HA ASP 25 HA ASP 25 -0.298 9.734 2.386 182 HB2 ASP 25 HB2 ASP 25 1.560 8.467 3.331 183 HB3 ASP 25 HB3 ASP 25 1.903 7.771 1.756 184 H ALA 26 H ALA 26 0.387 7.267 -0.049 185 HA ALA 26 HA ALA 26 0.822 9.186 -2.132 186 HB1 ALA 26 HB1 ALA 26 0.538 6.201 -2.325 187 HB2 ALA 26 HB2 ALA 26 2.042 7.069 -2.027 188 HB3 ALA 26 HB3 ALA 26 1.192 7.277 -3.559 189 H PHE 27 H PHE 27 -2.054 7.819 -0.875 190 HA PHE 27 HA PHE 27 -3.311 8.351 -3.471 191 HB2 PHE 27 HB2 PHE 27 -3.863 6.059 -1.629 192 HB3 PHE 27 HB3 PHE 27 -5.065 6.603 -2.793 193 HD1 PHE 27 HD1 PHE 27 -2.086 4.594 -2.325 194 HD2 PHE 27 HD2 PHE 27 -4.409 6.717 -5.213 195 HE1 PHE 27 HE1 PHE 27 -1.058 3.307 -4.112 196 HE2 PHE 27 HE2 PHE 27 -3.357 5.448 -6.991 197 HZ PHE 27 HZ PHE 27 -1.671 3.725 -6.458 198 H ALA 28 H ALA 28 -4.014 8.163 -0.032 199 HA ALA 28 HA ALA 28 -6.242 9.998 -0.485 200 HB1 ALA 28 HB1 ALA 28 -7.134 9.206 1.613 201 HB2 ALA 28 HB2 ALA 28 -5.677 8.258 1.907 202 HB3 ALA 28 HB3 ALA 28 -6.754 7.830 0.577 203 H ASN 29 H ASN 29 -3.194 10.295 -0.009 204 HA ASN 29 HA ASN 29 -1.770 11.824 0.800 205 HB2 ASN 29 HB2 ASN 29 -4.302 13.443 1.058 206 HB3 ASN 29 HB3 ASN 29 -2.705 14.112 1.368 207 HD21 ASN 29 HD21 ASN 29 -4.940 13.013 -1.047 208 HD22 ASN 29 HD22 ASN 29 -4.021 13.550 -2.400 209 H GLY 30 H GLY 30 -2.697 9.882 2.626 210 HA2 GLY 30 HA2 GLY 30 -1.437 9.910 4.779 211 HA3 GLY 30 HA3 GLY 30 -2.308 11.397 5.126 212 H ASP 31 H ASP 31 -4.769 10.412 3.971 213 HA ASP 31 HA ASP 31 -5.826 9.271 6.316 214 HB2 ASP 31 HB2 ASP 31 -7.239 10.684 4.983 215 HB3 ASP 31 HB3 ASP 31 -7.079 9.608 3.600 216 H GLN 32 H GLN 32 -5.525 7.309 6.967 217 HA GLN 32 HA GLN 32 -4.843 5.158 5.154 218 HB2 GLN 32 HB2 GLN 32 -5.298 5.073 8.136 219 HB3 GLN 32 HB3 GLN 32 -4.621 3.777 7.166 220 HG2 GLN 32 HG2 GLN 32 -2.703 5.241 6.632 221 HG3 GLN 32 HG3 GLN 32 -3.384 6.471 7.697 222 HE21 GLN 32 HE21 GLN 32 -0.862 5.056 7.893 223 HE22 GLN 32 HE22 GLN 32 -0.861 4.269 9.430 224 H SER 33 H SER 33 -7.699 6.433 6.292 225 HA SER 33 HA SER 33 -9.225 4.220 6.992 226 HB2 SER 33 HB2 SER 33 -10.249 6.745 5.733 227 HB3 SER 33 HB3 SER 33 -11.051 5.708 6.916 228 HG SER 33 HG SER 33 -9.299 7.710 7.233 229 H LYS 34 H LYS 34 -8.488 5.587 3.850 230 HA LYS 34 HA LYS 34 -10.546 4.062 2.489 231 HB2 LYS 34 HB2 LYS 34 -8.330 5.766 1.356 232 HB3 LYS 34 HB3 LYS 34 -9.686 5.107 0.448 233 HG2 LYS 34 HG2 LYS 34 -11.236 6.406 1.783 234 HG3 LYS 34 HG3 LYS 34 -9.893 7.034 2.737 235 HD2 LYS 34 HD2 LYS 34 -8.969 8.054 0.682 236 HD3 LYS 34 HD3 LYS 34 -10.392 7.493 -0.202 237 HE2 LYS 34 HE2 LYS 34 -10.715 9.793 0.447 238 HE3 LYS 34 HE3 LYS 34 -11.816 8.753 1.351 239 HZ1 LYS 34 HZ1 LYS 34 -10.076 8.846 3.205 240 HZ2 LYS 34 HZ2 LYS 34 -10.958 10.218 2.914 241 HZ3 LYS 34 HZ3 LYS 34 -9.388 10.130 2.358 242 H ILE 35 H ILE 35 -7.639 3.272 3.710 243 HA ILE 35 HA ILE 35 -7.051 1.335 1.597 244 HB ILE 35 HB ILE 35 -5.314 2.137 3.961 245 HG12 ILE 35 HG12 ILE 35 -5.546 4.063 2.461 246 HG13 ILE 35 HG13 ILE 35 -3.920 3.405 2.363 247 HG21 ILE 35 HG21 ILE 35 -4.660 0.541 1.487 248 HG22 ILE 35 HG22 ILE 35 -4.846 -0.096 3.117 249 HG23 ILE 35 HG23 ILE 35 -3.512 0.997 2.744 250 HD11 ILE 35 HD11 ILE 35 -4.738 4.043 0.170 251 HD12 ILE 35 HD12 ILE 35 -6.137 2.991 0.369 252 HD13 ILE 35 HD13 ILE 35 -4.524 2.290 0.257 253 H ALA 36 H ALA 36 -7.890 -0.599 2.013 254 HA ALA 36 HA ALA 36 -8.966 -1.179 4.612 255 HB1 ALA 36 HB1 ALA 36 -9.720 -3.282 3.595 256 HB2 ALA 36 HB2 ALA 36 -8.772 -2.915 2.149 257 HB3 ALA 36 HB3 ALA 36 -10.137 -1.894 2.591 258 H LYS 37 H LYS 37 -6.232 -2.213 2.694 259 HA LYS 37 HA LYS 37 -4.708 -2.906 4.971 260 HB2 LYS 37 HB2 LYS 37 -5.961 -5.025 4.861 261 HB3 LYS 37 HB3 LYS 37 -5.624 -5.167 3.141 262 HG2 LYS 37 HG2 LYS 37 -3.248 -5.472 3.608 263 HG3 LYS 37 HG3 LYS 37 -3.536 -5.259 5.326 264 HD2 LYS 37 HD2 LYS 37 -4.731 -7.479 3.666 265 HD3 LYS 37 HD3 LYS 37 -3.238 -7.632 4.585 266 HE2 LYS 37 HE2 LYS 37 -5.987 -7.048 5.692 267 HE3 LYS 37 HE3 LYS 37 -5.089 -8.556 5.849 268 HZ1 LYS 37 HZ1 LYS 37 -4.836 -7.350 7.858 269 HZ2 LYS 37 HZ2 LYS 37 -4.504 -5.934 7.051 270 HZ3 LYS 37 HZ3 LYS 37 -3.346 -7.138 7.064 271 H ALA 38 H ALA 38 -2.509 -3.204 4.353 272 HA ALA 38 HA ALA 38 -1.937 -3.219 1.518 273 HB1 ALA 38 HB1 ALA 38 -1.848 -0.880 2.199 274 HB2 ALA 38 HB2 ALA 38 -0.253 -1.501 1.772 275 HB3 ALA 38 HB3 ALA 38 -0.696 -1.298 3.471 276 H GLU 39 H GLU 39 -0.449 -4.645 1.113 277 HA GLU 39 HA GLU 39 1.083 -5.774 3.372 278 HB2 GLU 39 HB2 GLU 39 -0.745 -7.264 2.703 279 HB3 GLU 39 HB3 GLU 39 -0.245 -7.161 1.030 280 HG2 GLU 39 HG2 GLU 39 0.338 -9.304 2.066 281 HG3 GLU 39 HG3 GLU 39 1.756 -8.421 1.509 282 H ASN 40 H ASN 40 3.117 -6.839 2.629 283 HA ASN 40 HA ASN 40 4.543 -5.164 0.812 284 HB2 ASN 40 HB2 ASN 40 5.717 -6.224 2.690 285 HB3 ASN 40 HB3 ASN 40 5.346 -7.819 2.043 286 HD21 ASN 40 HD21 ASN 40 7.250 -4.971 1.649 287 HD22 ASN 40 HD22 ASN 40 8.388 -5.640 0.520 288 H PHE 41 H PHE 41 4.678 -5.326 -1.274 289 HA PHE 41 HA PHE 41 3.374 -7.537 -2.649 290 HB2 PHE 41 HB2 PHE 41 2.803 -5.253 -3.330 291 HB3 PHE 41 HB3 PHE 41 4.493 -4.893 -3.590 292 HD1 PHE 41 HD1 PHE 41 5.503 -5.258 -5.642 293 HD2 PHE 41 HD2 PHE 41 1.689 -6.982 -4.867 294 HE1 PHE 41 HE1 PHE 41 5.340 -5.883 -7.974 295 HE2 PHE 41 HE2 PHE 41 1.500 -7.620 -7.234 296 HZ PHE 41 HZ PHE 41 3.321 -7.072 -8.804 297 H LYS 42 H LYS 42 6.496 -5.912 -2.412 298 HA LYS 42 HA LYS 42 8.004 -8.160 -3.095 299 HB2 LYS 42 HB2 LYS 42 7.062 -7.586 -5.363 300 HB3 LYS 42 HB3 LYS 42 7.708 -5.972 -5.208 301 HG2 LYS 42 HG2 LYS 42 9.018 -7.384 -6.716 302 HG3 LYS 42 HG3 LYS 42 9.960 -6.823 -5.337 303 HD2 LYS 42 HD2 LYS 42 9.705 -8.989 -4.257 304 HD3 LYS 42 HD3 LYS 42 8.657 -9.546 -5.558 305 HE2 LYS 42 HE2 LYS 42 10.908 -10.443 -5.829 306 HE3 LYS 42 HE3 LYS 42 10.530 -9.333 -7.138 307 HZ1 LYS 42 HZ1 LYS 42 11.862 -7.636 -6.043 308 HZ2 LYS 42 HZ2 LYS 42 12.778 -9.021 -6.268 309 HZ3 LYS 42 HZ3 LYS 42 12.186 -8.661 -4.744 310 H ASP 43 H ASP 43 10.353 -7.193 -3.437 311 HA ASP 43 HA ASP 43 11.039 -5.624 -1.247 312 HB2 ASP 43 HB2 ASP 43 12.601 -6.023 -3.810 313 HB3 ASP 43 HB3 ASP 43 13.260 -5.480 -2.270 314 H TYR 44 H TYR 44 10.764 -3.585 -0.916 315 HA TYR 44 HA TYR 44 10.507 -1.353 -1.146 316 HB2 TYR 44 HB2 TYR 44 11.714 -1.774 -3.894 317 HB3 TYR 44 HB3 TYR 44 11.351 -0.201 -3.205 318 HD1 TYR 44 HD1 TYR 44 13.596 -3.092 -3.089 319 HD2 TYR 44 HD2 TYR 44 12.725 0.724 -1.451 320 HE1 TYR 44 HE1 TYR 44 15.824 -3.029 -2.085 321 HE2 TYR 44 HE2 TYR 44 14.930 0.822 -0.433 322 HH TYR 44 HH TYR 44 16.682 -0.823 0.297 323 H TYR 45 H TYR 45 8.401 -3.333 -2.067 324 HA TYR 45 HA TYR 45 6.671 -1.331 -3.328 325 HB2 TYR 45 HB2 TYR 45 6.973 -4.177 -4.298 326 HB3 TYR 45 HB3 TYR 45 5.671 -3.097 -4.777 327 HD1 TYR 45 HD1 TYR 45 6.309 -0.949 -5.943 328 HD2 TYR 45 HD2 TYR 45 9.003 -4.182 -5.452 329 HE1 TYR 45 HE1 TYR 45 7.705 -0.059 -7.759 330 HE2 TYR 45 HE2 TYR 45 10.400 -3.317 -7.249 331 HH TYR 45 HH TYR 45 10.163 -1.865 -9.201 332 H CYS 46 H CYS 46 4.627 -1.390 -2.760 333 HA CYS 46 HA CYS 46 3.808 -3.459 -0.845 334 HB2 CYS 46 HB2 CYS 46 3.273 -0.495 -0.630 335 HB3 CYS 46 HB3 CYS 46 2.522 -1.726 0.377 336 H ASN 47 H ASN 47 1.766 -4.177 -1.013 337 HA ASN 47 HA ASN 47 0.336 -3.423 -3.448 338 HB2 ASN 47 HB2 ASN 47 0.928 -5.811 -3.125 339 HB3 ASN 47 HB3 ASN 47 0.043 -5.800 -1.605 340 HD21 ASN 47 HD21 ASN 47 -1.245 -7.414 -2.321 341 HD22 ASN 47 HD22 ASN 47 -2.508 -7.187 -3.480 342 H CYS 48 H CYS 48 -1.117 -1.919 -3.084 343 HA CYS 48 HA CYS 48 -2.244 -1.586 -0.439 344 HB2 CYS 48 HB2 CYS 48 -2.598 0.160 -2.891 345 HB3 CYS 48 HB3 CYS 48 -2.919 0.521 -1.188 346 H HIS 49 H HIS 49 -4.281 -2.136 0.050 347 HA HIS 49 HA HIS 49 -6.046 -3.006 -2.112 348 HB2 HIS 49 HB2 HIS 49 -6.276 -3.436 0.894 349 HB3 HIS 49 HB3 HIS 49 -7.373 -4.077 -0.314 350 HD1 HIS 49 HD3 HIS 49 -6.951 -6.513 -0.729 351 HD2 HIS 49 HD2 HIS 49 -3.480 -4.456 0.281 352 HE1 HIS 49 HE1 HIS 49 -5.149 -8.252 -0.567 353 H ILE 50 H ILE 50 -6.774 -1.122 -2.777 354 HA ILE 50 HA ILE 50 -7.478 0.910 -0.810 355 HB ILE 50 HB ILE 50 -7.510 1.220 -3.818 356 HG12 ILE 50 HG12 ILE 50 -5.175 1.760 -1.965 357 HG13 ILE 50 HG13 ILE 50 -5.278 0.375 -3.048 358 HG21 ILE 50 HG21 ILE 50 -7.156 3.582 -3.234 359 HG22 ILE 50 HG22 ILE 50 -7.100 3.126 -1.528 360 HG23 ILE 50 HG23 ILE 50 -8.605 2.945 -2.432 361 HD11 ILE 50 HD11 ILE 50 -5.232 3.267 -3.877 362 HD12 ILE 50 HD12 ILE 50 -5.322 1.880 -4.964 363 HD13 ILE 50 HD13 ILE 50 -3.886 2.134 -3.974 364 H ILE 51 H ILE 51 -9.549 1.501 -0.461 365 HA ILE 51 HA ILE 51 -11.629 0.009 -1.775 366 HB ILE 51 HB ILE 51 -11.909 2.319 0.194 367 HG12 ILE 51 HG12 ILE 51 -11.931 -0.664 0.764 368 HG13 ILE 51 HG13 ILE 51 -10.596 0.416 1.142 369 HG21 ILE 51 HG21 ILE 51 -13.922 1.836 -1.122 370 HG22 ILE 51 HG22 ILE 51 -14.152 1.360 0.564 371 HG23 ILE 51 HG23 ILE 51 -13.826 0.136 -0.660 372 HD11 ILE 51 HD11 ILE 51 -12.039 1.643 2.692 373 HD12 ILE 51 HD12 ILE 51 -11.936 -0.070 3.111 374 HD13 ILE 51 HD13 ILE 51 -13.373 0.555 2.303 375 H ILE 52 H ILE 52 -12.011 0.592 -3.747 376 HA ILE 52 HA ILE 52 -11.453 3.260 -4.719 377 HB ILE 52 HB ILE 52 -12.625 0.873 -6.187 378 HG12 ILE 52 HG12 ILE 52 -10.445 0.276 -5.250 379 HG13 ILE 52 HG13 ILE 52 -10.355 0.413 -6.998 380 HG21 ILE 52 HG21 ILE 52 -12.976 2.990 -7.344 381 HG22 ILE 52 HG22 ILE 52 -11.838 1.966 -8.213 382 HG23 ILE 52 HG23 ILE 52 -11.245 3.329 -7.263 383 HD11 ILE 52 HD11 ILE 52 -9.381 2.446 -4.995 384 HD12 ILE 52 HD12 ILE 52 -9.313 2.626 -6.747 385 HD13 ILE 52 HD13 ILE 52 -8.383 1.352 -5.954 386 H HIS 53 H HIS 53 -14.217 1.105 -4.373 387 HA HIS 53 HA HIS 53 -15.990 3.409 -4.387 388 HB2 HIS 53 HB2 HIS 53 -16.452 0.756 -5.808 389 HB3 HIS 53 HB3 HIS 53 -17.723 1.916 -5.466 390 HD1 HIS 53 HD3 HIS 53 -17.955 3.876 -7.051 391 HD2 HIS 53 HD2 HIS 53 -14.591 1.568 -7.780 392 HE1 HIS 53 HE1 HIS 53 -17.039 4.673 -9.273 Start of MODEL 8 1 H1 GLU 1 1HT GLU 1 -16.416 -2.218 -3.827 2 H2 GLU 1 2HT GLU 1 -15.624 -3.387 -2.911 3 H3 GLU 1 3HT GLU 1 -16.897 -3.842 -3.935 4 HA GLU 1 HA GLU 1 -14.841 -4.448 -4.879 5 HB2 GLU 1 HB2 GLU 1 -16.019 -2.010 -6.227 6 HB3 GLU 1 HB3 GLU 1 -14.843 -3.072 -6.990 7 HG2 GLU 1 HG2 GLU 1 -16.404 -4.952 -6.663 8 HG3 GLU 1 HG3 GLU 1 -17.583 -3.808 -6.038 9 H GLU 2 H GLU 2 -12.771 -4.217 -5.022 10 HA GLU 2 HA GLU 2 -11.576 -1.712 -4.015 11 HB2 GLU 2 HB2 GLU 2 -10.710 -4.526 -3.322 12 HB3 GLU 2 HB3 GLU 2 -9.868 -3.069 -2.851 13 HG2 GLU 2 HG2 GLU 2 -11.054 -3.852 -0.949 14 HG3 GLU 2 HG3 GLU 2 -11.898 -2.427 -1.542 15 H THR 3 H THR 3 -9.335 -1.442 -4.639 16 HA THR 3 HA THR 3 -8.646 -3.027 -6.991 17 HB THR 3 HB THR 3 -9.312 -0.778 -7.741 18 HG1 THR 3 HG1 THR 3 -7.832 -0.847 -9.145 19 HG21 THR 3 HG21 THR 3 -8.809 0.495 -5.724 20 HG22 THR 3 HG22 THR 3 -7.998 1.212 -7.118 21 HG23 THR 3 HG23 THR 3 -7.080 0.234 -5.971 22 H GLU 4 H GLU 4 -6.637 -3.758 -7.130 23 HA GLU 4 HA GLU 4 -4.941 -3.595 -4.763 24 HB2 GLU 4 HB2 GLU 4 -4.635 -5.235 -7.268 25 HB3 GLU 4 HB3 GLU 4 -3.811 -5.448 -5.729 26 HG2 GLU 4 HG2 GLU 4 -6.772 -5.798 -6.134 27 HG3 GLU 4 HG3 GLU 4 -5.607 -7.115 -6.196 28 H GLU 5 H GLU 5 -3.560 -1.914 -4.899 29 HA GLU 5 HA GLU 5 -2.360 -1.376 -7.525 30 HB2 GLU 5 HB2 GLU 5 -3.907 0.385 -6.677 31 HB3 GLU 5 HB3 GLU 5 -2.833 0.605 -5.306 32 HG2 GLU 5 HG2 GLU 5 -2.491 2.299 -6.983 33 HG3 GLU 5 HG3 GLU 5 -1.044 1.302 -6.802 34 HA PRO 6 HA PRO 6 1.293 -2.468 -5.061 35 HB2 PRO 6 HB2 PRO 6 2.608 -2.757 -7.639 36 HB3 PRO 6 HB3 PRO 6 2.308 -3.987 -6.411 37 HG2 PRO 6 HG2 PRO 6 1.034 -3.967 -8.816 38 HG3 PRO 6 HG3 PRO 6 0.298 -4.614 -7.340 39 HD2 PRO 6 HD2 PRO 6 -0.126 -1.957 -8.660 40 HD3 PRO 6 HD3 PRO 6 -1.307 -3.055 -7.906 41 H ILE 7 H ILE 7 2.145 -0.726 -4.267 42 HA ILE 7 HA ILE 7 3.133 1.443 -6.000 43 HB ILE 7 HB ILE 7 3.116 2.883 -4.009 44 HG12 ILE 7 HG12 ILE 7 2.213 0.515 -2.389 45 HG13 ILE 7 HG13 ILE 7 3.917 0.942 -2.505 46 HG21 ILE 7 HG21 ILE 7 0.905 2.803 -3.342 47 HG22 ILE 7 HG22 ILE 7 0.666 1.250 -4.170 48 HG23 ILE 7 HG23 ILE 7 1.074 2.707 -5.100 49 HD11 ILE 7 HD11 ILE 7 3.426 3.126 -1.634 50 HD12 ILE 7 HD12 ILE 7 2.924 1.846 -0.513 51 HD13 ILE 7 HD13 ILE 7 1.717 2.701 -1.502 52 H ARG 8 H ARG 8 5.172 2.446 -5.136 53 HA ARG 8 HA ARG 8 7.072 0.324 -4.470 54 HB2 ARG 8 HB2 ARG 8 7.648 3.164 -5.353 55 HB3 ARG 8 HB3 ARG 8 8.769 1.803 -5.244 56 HG2 ARG 8 HG2 ARG 8 7.661 0.654 -6.979 57 HG3 ARG 8 HG3 ARG 8 6.446 1.925 -7.108 58 HD2 ARG 8 HD2 ARG 8 8.240 3.513 -7.680 59 HD3 ARG 8 HD3 ARG 8 9.392 2.175 -7.608 60 HE ARG 8 HE ARG 8 7.124 1.913 -9.385 61 HH11 ARG 8 HH11 ARG 8 10.573 2.623 -9.024 62 HH12 ARG 8 HH12 ARG 8 10.951 2.304 -10.647 63 HH21 ARG 8 HH21 ARG 8 7.645 1.509 -11.614 64 HH22 ARG 8 HH22 ARG 8 9.238 1.691 -12.171 65 H HIS 9 H HIS 9 8.379 0.522 -2.693 66 HA HIS 9 HA HIS 9 7.706 2.648 -0.785 67 HB2 HIS 9 HB2 HIS 9 6.779 0.341 -0.229 68 HB3 HIS 9 HB3 HIS 9 8.442 -0.212 -0.098 69 HD1 HIS 9 HD3 HIS 9 9.378 -0.096 2.227 70 HD2 HIS 9 HD2 HIS 9 6.209 2.515 1.627 71 HE1 HIS 9 HE1 HIS 9 8.898 1.027 4.488 72 H ALA 10 H ALA 10 9.526 3.417 0.407 73 HA ALA 10 HA ALA 10 11.997 3.117 -1.041 74 HB1 ALA 10 HB1 ALA 10 12.844 4.902 0.284 75 HB2 ALA 10 HB2 ALA 10 11.475 4.768 1.393 76 HB3 ALA 10 HB3 ALA 10 11.214 5.316 -0.268 77 H LYS 11 H LYS 11 10.726 1.574 1.701 78 HA LYS 11 HA LYS 11 13.417 0.854 2.598 79 HB2 LYS 11 HB2 LYS 11 10.735 0.582 3.994 80 HB3 LYS 11 HB3 LYS 11 12.264 0.027 4.657 81 HG2 LYS 11 HG2 LYS 11 13.097 2.238 4.884 82 HG3 LYS 11 HG3 LYS 11 11.792 2.904 3.909 83 HD2 LYS 11 HD2 LYS 11 11.497 3.382 6.305 84 HD3 LYS 11 HD3 LYS 11 10.187 2.394 5.678 85 HE2 LYS 11 HE2 LYS 11 11.192 0.414 6.654 86 HE3 LYS 11 HE3 LYS 11 12.567 1.362 7.222 87 HZ1 LYS 11 HZ1 LYS 11 10.849 0.930 8.954 88 HZ2 LYS 11 HZ2 LYS 11 9.750 1.865 8.073 89 HZ3 LYS 11 HZ3 LYS 11 11.141 2.560 8.705 90 H LYS 12 H LYS 12 14.034 -1.219 2.452 91 HA LYS 12 HA LYS 12 13.230 -2.683 0.305 92 HB2 LYS 12 HB2 LYS 12 15.398 -2.972 1.355 93 HB3 LYS 12 HB3 LYS 12 14.646 -3.742 2.747 94 HG2 LYS 12 HG2 LYS 12 13.862 -5.569 1.294 95 HG3 LYS 12 HG3 LYS 12 14.653 -4.798 -0.077 96 HD2 LYS 12 HD2 LYS 12 16.815 -5.025 1.068 97 HD3 LYS 12 HD3 LYS 12 16.002 -5.828 2.413 98 HE2 LYS 12 HE2 LYS 12 16.019 -6.816 -0.438 99 HE3 LYS 12 HE3 LYS 12 17.082 -7.409 0.837 100 HZ1 LYS 12 HZ1 LYS 12 14.096 -7.623 0.857 101 HZ2 LYS 12 HZ2 LYS 12 15.164 -8.234 2.019 102 HZ3 LYS 12 HZ3 LYS 12 15.178 -8.857 0.477 103 H ASN 13 H ASN 13 12.338 -3.430 3.636 104 HA ASN 13 HA ASN 13 10.273 -5.132 2.468 105 HB2 ASN 13 HB2 ASN 13 12.350 -6.504 3.051 106 HB3 ASN 13 HB3 ASN 13 11.941 -6.202 4.739 107 HD21 ASN 13 HD21 ASN 13 11.099 -7.835 1.832 108 HD22 ASN 13 HD22 ASN 13 9.878 -8.862 2.487 109 HA PRO 14 HA PRO 14 8.457 -2.809 5.854 110 HB2 PRO 14 HB2 PRO 14 6.361 -1.925 4.466 111 HB3 PRO 14 HB3 PRO 14 7.959 -1.178 4.342 112 HG2 PRO 14 HG2 PRO 14 6.514 -2.919 2.439 113 HG3 PRO 14 HG3 PRO 14 7.722 -1.670 2.127 114 HD2 PRO 14 HD2 PRO 14 8.144 -4.461 2.199 115 HD3 PRO 14 HD3 PRO 14 9.369 -3.188 2.093 116 H SER 15 H SER 15 6.881 -3.338 7.237 117 HA SER 15 HA SER 15 5.133 -5.570 6.676 118 HB2 SER 15 HB2 SER 15 5.439 -3.832 9.145 119 HB3 SER 15 HB3 SER 15 4.564 -5.365 9.061 120 HG SER 15 HG SER 15 7.027 -5.703 8.099 121 H GLU 16 H GLU 16 2.736 -5.037 7.682 122 HA GLU 16 HA GLU 16 1.487 -3.441 5.815 123 HB2 GLU 16 HB2 GLU 16 0.479 -4.332 8.491 124 HB3 GLU 16 HB3 GLU 16 -0.519 -3.448 7.348 125 HG2 GLU 16 HG2 GLU 16 -0.081 -5.285 5.702 126 HG3 GLU 16 HG3 GLU 16 0.686 -6.183 7.013 127 H GLY 17 H GLY 17 2.600 -2.458 8.989 128 HA2 GLY 17 HA2 GLY 17 1.241 0.003 9.162 129 HA3 GLY 17 HA3 GLY 17 2.768 -0.356 9.954 130 H GLU 18 H GLU 18 4.343 -0.776 7.702 131 HA GLU 18 HA GLU 18 4.992 1.917 7.014 132 HB2 GLU 18 HB2 GLU 18 6.051 -0.707 6.001 133 HB3 GLU 18 HB3 GLU 18 6.740 0.863 5.595 134 HG2 GLU 18 HG2 GLU 18 6.554 -0.372 8.319 135 HG3 GLU 18 HG3 GLU 18 8.012 -0.234 7.332 136 H CYS 19 H CYS 19 3.789 -0.882 5.217 137 HA CYS 19 HA CYS 19 3.510 0.396 2.763 138 HB2 CYS 19 HB2 CYS 19 1.987 -1.912 3.944 139 HB3 CYS 19 HB3 CYS 19 1.818 -1.386 2.278 140 H LYS 20 H LYS 20 1.211 0.067 5.460 141 HA LYS 20 HA LYS 20 -0.938 1.261 4.188 142 HB2 LYS 20 HB2 LYS 20 -1.194 0.005 6.286 143 HB3 LYS 20 HB3 LYS 20 -0.263 1.214 7.140 144 HG2 LYS 20 HG2 LYS 20 -2.601 1.511 7.651 145 HG3 LYS 20 HG3 LYS 20 -2.040 2.877 6.693 146 HD2 LYS 20 HD2 LYS 20 -4.213 2.209 5.899 147 HD3 LYS 20 HD3 LYS 20 -3.017 1.796 4.674 148 HE2 LYS 20 HE2 LYS 20 -4.612 -0.010 4.915 149 HE3 LYS 20 HE3 LYS 20 -3.038 -0.543 5.485 150 HZ1 LYS 20 HZ1 LYS 20 -3.807 -0.189 7.771 151 HZ2 LYS 20 HZ2 LYS 20 -4.824 -1.240 6.963 152 HZ3 LYS 20 HZ3 LYS 20 -5.301 0.337 7.211 153 H LYS 21 H LYS 21 1.681 2.641 6.168 154 HA LYS 21 HA LYS 21 0.743 5.269 6.247 155 HB2 LYS 21 HB2 LYS 21 2.622 4.384 7.610 156 HB3 LYS 21 HB3 LYS 21 3.628 4.353 6.168 157 HG2 LYS 21 HG2 LYS 21 4.162 6.308 7.465 158 HG3 LYS 21 HG3 LYS 21 3.348 6.810 5.980 159 HD2 LYS 21 HD2 LYS 21 1.234 7.004 7.221 160 HD3 LYS 21 HD3 LYS 21 2.069 6.535 8.699 161 HE2 LYS 21 HE2 LYS 21 1.824 8.925 8.656 162 HE3 LYS 21 HE3 LYS 21 3.523 8.503 8.447 163 HZ1 LYS 21 HZ1 LYS 21 2.852 10.250 6.952 164 HZ2 LYS 21 HZ2 LYS 21 1.649 9.292 6.283 165 HZ3 LYS 21 HZ3 LYS 21 3.274 8.894 6.051 166 H ALA 22 H ALA 22 2.880 3.657 3.927 167 HA ALA 22 HA ALA 22 3.311 5.897 2.282 168 HB1 ALA 22 HB1 ALA 22 4.174 4.294 0.657 169 HB2 ALA 22 HB2 ALA 22 3.478 2.968 1.591 170 HB3 ALA 22 HB3 ALA 22 4.773 3.947 2.279 171 H CYS 23 H CYS 23 1.105 3.114 1.893 172 HA CYS 23 HA CYS 23 -0.131 3.882 -0.480 173 HB2 CYS 23 HB2 CYS 23 -1.308 2.373 1.854 174 HB3 CYS 23 HB3 CYS 23 -2.059 2.485 0.271 175 H ALA 24 H ALA 24 -0.878 4.807 2.836 176 HA ALA 24 HA ALA 24 -3.281 6.157 2.256 177 HB1 ALA 24 HB1 ALA 24 -2.666 5.428 4.495 178 HB2 ALA 24 HB2 ALA 24 -2.996 7.161 4.456 179 HB3 ALA 24 HB3 ALA 24 -1.331 6.579 4.512 180 H ASP 25 H ASP 25 -0.027 7.352 2.939 181 HA ASP 25 HA ASP 25 -0.541 10.068 2.530 182 HB2 ASP 25 HB2 ASP 25 1.436 9.152 3.702 183 HB3 ASP 25 HB3 ASP 25 2.076 8.610 2.157 184 H ALA 26 H ALA 26 0.532 7.584 0.265 185 HA ALA 26 HA ALA 26 0.912 9.468 -1.851 186 HB1 ALA 26 HB1 ALA 26 0.894 6.463 -1.977 187 HB2 ALA 26 HB2 ALA 26 2.307 7.471 -1.656 188 HB3 ALA 26 HB3 ALA 26 1.494 7.561 -3.219 189 H PHE 27 H PHE 27 -1.902 7.903 -0.653 190 HA PHE 27 HA PHE 27 -3.107 8.317 -3.304 191 HB2 PHE 27 HB2 PHE 27 -3.547 6.013 -1.464 192 HB3 PHE 27 HB3 PHE 27 -4.821 6.501 -2.580 193 HD1 PHE 27 HD1 PHE 27 -4.235 6.686 -5.012 194 HD2 PHE 27 HD2 PHE 27 -1.740 4.619 -2.230 195 HE1 PHE 27 HE1 PHE 27 -3.179 5.478 -6.844 196 HE2 PHE 27 HE2 PHE 27 -0.729 3.415 -4.059 197 HZ PHE 27 HZ PHE 27 -1.408 3.840 -6.372 198 H ALA 28 H ALA 28 -3.814 8.399 0.119 199 HA ALA 28 HA ALA 28 -6.111 10.102 -0.539 200 HB1 ALA 28 HB1 ALA 28 -7.121 9.369 1.536 201 HB2 ALA 28 HB2 ALA 28 -5.696 8.398 1.914 202 HB3 ALA 28 HB3 ALA 28 -6.717 7.971 0.539 203 H ASN 29 H ASN 29 -3.138 10.458 0.052 204 HA ASN 29 HA ASN 29 -1.745 11.968 0.944 205 HB2 ASN 29 HB2 ASN 29 -4.292 13.557 0.919 206 HB3 ASN 29 HB3 ASN 29 -2.816 14.255 1.578 207 HD21 ASN 29 HD21 ASN 29 -4.340 15.049 -0.771 208 HD22 ASN 29 HD22 ASN 29 -3.251 14.942 -2.110 209 H GLY 30 H GLY 30 -2.996 10.062 2.764 210 HA2 GLY 30 HA2 GLY 30 -1.681 10.209 4.961 211 HA3 GLY 30 HA3 GLY 30 -2.694 11.612 5.244 212 H ASP 31 H ASP 31 -4.973 10.226 3.924 213 HA ASP 31 HA ASP 31 -6.086 9.134 6.303 214 HB2 ASP 31 HB2 ASP 31 -7.478 10.273 4.604 215 HB3 ASP 31 HB3 ASP 31 -7.182 8.928 3.506 216 H GLN 32 H GLN 32 -5.901 7.191 7.103 217 HA GLN 32 HA GLN 32 -4.807 5.078 5.427 218 HB2 GLN 32 HB2 GLN 32 -5.039 5.276 8.429 219 HB3 GLN 32 HB3 GLN 32 -4.270 3.957 7.554 220 HG2 GLN 32 HG2 GLN 32 -2.680 5.608 6.598 221 HG3 GLN 32 HG3 GLN 32 -3.408 6.836 7.618 222 HE21 GLN 32 HE21 GLN 32 -0.717 5.806 7.526 223 HE22 GLN 32 HE22 GLN 32 -0.332 5.245 9.115 224 H SER 33 H SER 33 -7.822 6.011 5.987 225 HA SER 33 HA SER 33 -8.860 3.388 6.712 226 HB2 SER 33 HB2 SER 33 -9.775 5.477 7.801 227 HB3 SER 33 HB3 SER 33 -10.385 5.972 6.223 228 HG SER 33 HG SER 33 -11.839 4.340 6.261 229 H LYS 34 H LYS 34 -8.637 5.667 4.096 230 HA LYS 34 HA LYS 34 -10.358 4.552 2.191 231 HB2 LYS 34 HB2 LYS 34 -9.166 6.778 2.143 232 HB3 LYS 34 HB3 LYS 34 -7.712 5.917 1.684 233 HG2 LYS 34 HG2 LYS 34 -8.790 6.951 -0.234 234 HG3 LYS 34 HG3 LYS 34 -8.787 5.192 -0.383 235 HD2 LYS 34 HD2 LYS 34 -11.073 5.046 0.194 236 HD3 LYS 34 HD3 LYS 34 -11.111 6.717 0.751 237 HE2 LYS 34 HE2 LYS 34 -10.674 5.832 -2.100 238 HE3 LYS 34 HE3 LYS 34 -12.206 6.393 -1.428 239 HZ1 LYS 34 HZ1 LYS 34 -11.139 8.530 -0.932 240 HZ2 LYS 34 HZ2 LYS 34 -11.138 8.195 -2.564 241 HZ3 LYS 34 HZ3 LYS 34 -9.716 8.018 -1.678 242 H ILE 35 H ILE 35 -7.172 3.742 3.180 243 HA ILE 35 HA ILE 35 -6.919 1.601 1.192 244 HB ILE 35 HB ILE 35 -4.912 2.522 3.280 245 HG12 ILE 35 HG12 ILE 35 -5.349 4.367 1.716 246 HG13 ILE 35 HG13 ILE 35 -3.730 3.722 1.489 247 HG21 ILE 35 HG21 ILE 35 -3.272 1.311 1.915 248 HG22 ILE 35 HG22 ILE 35 -4.560 0.809 0.823 249 HG23 ILE 35 HG23 ILE 35 -4.555 0.249 2.494 250 HD11 ILE 35 HD11 ILE 35 -6.125 3.127 -0.227 251 HD12 ILE 35 HD12 ILE 35 -4.490 2.507 -0.475 252 HD13 ILE 35 HD13 ILE 35 -4.813 4.238 -0.631 253 H ALA 36 H ALA 36 -7.890 -0.210 1.906 254 HA ALA 36 HA ALA 36 -8.650 -0.605 4.627 255 HB1 ALA 36 HB1 ALA 36 -9.894 -1.588 2.788 256 HB2 ALA 36 HB2 ALA 36 -9.371 -2.835 3.924 257 HB3 ALA 36 HB3 ALA 36 -8.526 -2.624 2.386 258 H LYS 37 H LYS 37 -6.407 -2.381 2.608 259 HA LYS 37 HA LYS 37 -4.687 -2.771 4.908 260 HB2 LYS 37 HB2 LYS 37 -5.723 -4.894 3.039 261 HB3 LYS 37 HB3 LYS 37 -4.190 -5.079 3.873 262 HG2 LYS 37 HG2 LYS 37 -5.270 -5.060 6.007 263 HG3 LYS 37 HG3 LYS 37 -6.813 -4.614 5.279 264 HD2 LYS 37 HD2 LYS 37 -6.675 -7.019 5.883 265 HD3 LYS 37 HD3 LYS 37 -6.972 -6.747 4.172 266 HE2 LYS 37 HE2 LYS 37 -5.367 -8.537 4.455 267 HE3 LYS 37 HE3 LYS 37 -4.577 -7.158 3.711 268 HZ1 LYS 37 HZ1 LYS 37 -3.223 -8.196 5.358 269 HZ2 LYS 37 HZ2 LYS 37 -4.368 -7.988 6.559 270 HZ3 LYS 37 HZ3 LYS 37 -3.563 -6.649 5.926 271 H ALA 38 H ALA 38 -2.510 -3.326 4.204 272 HA ALA 38 HA ALA 38 -1.880 -2.956 1.423 273 HB1 ALA 38 HB1 ALA 38 -1.846 -0.665 2.326 274 HB2 ALA 38 HB2 ALA 38 -0.226 -1.222 1.925 275 HB3 ALA 38 HB3 ALA 38 -0.754 -1.191 3.610 276 H GLU 39 H GLU 39 -0.527 -4.543 1.039 277 HA GLU 39 HA GLU 39 1.016 -5.540 3.340 278 HB2 GLU 39 HB2 GLU 39 -0.242 -7.274 1.211 279 HB3 GLU 39 HB3 GLU 39 0.680 -7.835 2.600 280 HG2 GLU 39 HG2 GLU 39 -1.098 -6.772 4.045 281 HG3 GLU 39 HG3 GLU 39 -2.038 -6.553 2.573 282 H ASN 40 H ASN 40 2.792 -7.025 2.610 283 HA ASN 40 HA ASN 40 4.487 -5.575 0.857 284 HB2 ASN 40 HB2 ASN 40 5.440 -6.780 2.720 285 HB3 ASN 40 HB3 ASN 40 4.810 -8.309 2.120 286 HD21 ASN 40 HD21 ASN 40 7.155 -5.867 1.736 287 HD22 ASN 40 HD22 ASN 40 8.231 -6.705 0.666 288 H PHE 41 H PHE 41 4.530 -5.664 -1.230 289 HA PHE 41 HA PHE 41 3.201 -7.854 -2.617 290 HB2 PHE 41 HB2 PHE 41 2.660 -5.594 -3.379 291 HB3 PHE 41 HB3 PHE 41 4.363 -5.233 -3.607 292 HD1 PHE 41 HD1 PHE 41 5.538 -5.970 -5.553 293 HD2 PHE 41 HD2 PHE 41 1.478 -7.077 -4.947 294 HE1 PHE 41 HE1 PHE 41 5.435 -6.731 -7.842 295 HE2 PHE 41 HE2 PHE 41 1.346 -7.842 -7.280 296 HZ PHE 41 HZ PHE 41 3.322 -7.675 -8.745 297 H LYS 42 H LYS 42 6.335 -6.250 -2.395 298 HA LYS 42 HA LYS 42 7.810 -8.586 -2.948 299 HB2 LYS 42 HB2 LYS 42 6.914 -7.765 -5.251 300 HB3 LYS 42 HB3 LYS 42 7.886 -6.338 -5.004 301 HG2 LYS 42 HG2 LYS 42 9.008 -7.840 -6.475 302 HG3 LYS 42 HG3 LYS 42 9.903 -7.744 -4.962 303 HD2 LYS 42 HD2 LYS 42 9.836 -10.053 -5.627 304 HD3 LYS 42 HD3 LYS 42 8.738 -9.880 -4.265 305 HE2 LYS 42 HE2 LYS 42 7.693 -11.265 -5.933 306 HE3 LYS 42 HE3 LYS 42 6.840 -9.728 -5.882 307 HZ1 LYS 42 HZ1 LYS 42 7.245 -10.464 -8.159 308 HZ2 LYS 42 HZ2 LYS 42 8.900 -10.501 -7.877 309 HZ3 LYS 42 HZ3 LYS 42 8.098 -9.039 -7.879 310 H ASP 43 H ASP 43 10.265 -7.650 -2.971 311 HA ASP 43 HA ASP 43 10.426 -5.808 -0.842 312 HB2 ASP 43 HB2 ASP 43 12.569 -6.730 -2.762 313 HB3 ASP 43 HB3 ASP 43 12.887 -5.568 -1.483 314 H TYR 44 H TYR 44 10.566 -3.768 -0.715 315 HA TYR 44 HA TYR 44 10.331 -1.598 -1.184 316 HB2 TYR 44 HB2 TYR 44 11.639 -2.356 -3.803 317 HB3 TYR 44 HB3 TYR 44 11.211 -0.706 -3.380 318 HD1 TYR 44 HD1 TYR 44 13.580 -3.420 -2.869 319 HD2 TYR 44 HD2 TYR 44 12.379 0.431 -1.545 320 HE1 TYR 44 HE1 TYR 44 15.740 -3.136 -1.751 321 HE2 TYR 44 HE2 TYR 44 14.512 0.744 -0.429 322 HH TYR 44 HH TYR 44 17.185 -1.318 -0.954 323 H TYR 45 H TYR 45 8.235 -3.685 -2.027 324 HA TYR 45 HA TYR 45 6.552 -1.741 -3.431 325 HB2 TYR 45 HB2 TYR 45 6.872 -4.640 -4.189 326 HB3 TYR 45 HB3 TYR 45 5.522 -3.645 -4.704 327 HD1 TYR 45 HD1 TYR 45 5.989 -1.651 -6.133 328 HD2 TYR 45 HD2 TYR 45 8.929 -4.608 -5.357 329 HE1 TYR 45 HE1 TYR 45 7.249 -0.919 -8.114 330 HE2 TYR 45 HE2 TYR 45 10.184 -3.896 -7.312 331 HH TYR 45 HH TYR 45 9.655 -2.776 -9.469 332 H CYS 46 H CYS 46 4.496 -1.703 -2.838 333 HA CYS 46 HA CYS 46 3.569 -3.704 -0.902 334 HB2 CYS 46 HB2 CYS 46 3.222 -0.706 -0.648 335 HB3 CYS 46 HB3 CYS 46 2.384 -1.894 0.342 336 H ASN 47 H ASN 47 1.538 -4.370 -1.188 337 HA ASN 47 HA ASN 47 0.082 -3.351 -3.526 338 HB2 ASN 47 HB2 ASN 47 0.425 -5.809 -3.313 339 HB3 ASN 47 HB3 ASN 47 -0.424 -5.777 -1.774 340 HD21 ASN 47 HD21 ASN 47 -2.670 -5.639 -1.766 341 HD22 ASN 47 HD22 ASN 47 -3.618 -5.840 -3.175 342 H CYS 48 H CYS 48 -1.140 -1.692 -3.082 343 HA CYS 48 HA CYS 48 -2.303 -1.382 -0.452 344 HB2 CYS 48 HB2 CYS 48 -2.582 0.441 -2.866 345 HB3 CYS 48 HB3 CYS 48 -2.878 0.799 -1.163 346 H HIS 49 H HIS 49 -4.410 -1.740 -0.032 347 HA HIS 49 HA HIS 49 -6.051 -2.736 -2.236 348 HB2 HIS 49 HB2 HIS 49 -6.410 -3.137 0.768 349 HB3 HIS 49 HB3 HIS 49 -7.364 -3.894 -0.495 350 HD1 HIS 49 HD3 HIS 49 -6.564 -6.251 -1.162 351 HD2 HIS 49 HD2 HIS 49 -3.607 -4.007 0.696 352 HE1 HIS 49 HE1 HIS 49 -4.660 -7.830 -0.731 353 H ILE 50 H ILE 50 -6.872 -0.895 -2.962 354 HA ILE 50 HA ILE 50 -7.631 1.186 -1.076 355 HB ILE 50 HB ILE 50 -7.811 1.362 -4.092 356 HG12 ILE 50 HG12 ILE 50 -5.420 2.046 -2.353 357 HG13 ILE 50 HG13 ILE 50 -5.509 0.656 -3.425 358 HG21 ILE 50 HG21 ILE 50 -7.541 3.763 -3.615 359 HG22 ILE 50 HG22 ILE 50 -7.404 3.364 -1.896 360 HG23 ILE 50 HG23 ILE 50 -8.933 3.086 -2.739 361 HD11 ILE 50 HD11 ILE 50 -4.221 2.464 -4.412 362 HD12 ILE 50 HD12 ILE 50 -5.602 3.549 -4.259 363 HD13 ILE 50 HD13 ILE 50 -5.687 2.161 -5.344 364 H ILE 51 H ILE 51 -9.678 1.635 -0.555 365 HA ILE 51 HA ILE 51 -11.739 -0.118 -1.498 366 HB ILE 51 HB ILE 51 -11.895 2.212 0.426 367 HG12 ILE 51 HG12 ILE 51 -10.474 0.431 1.296 368 HG13 ILE 51 HG13 ILE 51 -11.995 0.479 2.178 369 HG21 ILE 51 HG21 ILE 51 -14.078 1.742 -0.574 370 HG22 ILE 51 HG22 ILE 51 -14.064 1.257 1.121 371 HG23 ILE 51 HG23 ILE 51 -13.921 0.038 -0.143 372 HD11 ILE 51 HD11 ILE 51 -11.145 -1.493 0.090 373 HD12 ILE 51 HD12 ILE 51 -12.791 -1.355 0.685 374 HD13 ILE 51 HD13 ILE 51 -11.505 -1.807 1.794 375 H ILE 52 H ILE 52 -12.501 0.239 -3.405 376 HA ILE 52 HA ILE 52 -13.029 2.918 -4.395 377 HB ILE 52 HB ILE 52 -13.505 0.172 -5.610 378 HG12 ILE 52 HG12 ILE 52 -11.132 0.631 -5.370 379 HG13 ILE 52 HG13 ILE 52 -11.582 0.674 -7.067 380 HG21 ILE 52 HG21 ILE 52 -15.066 1.709 -6.574 381 HG22 ILE 52 HG22 ILE 52 -13.812 1.340 -7.762 382 HG23 ILE 52 HG23 ILE 52 -13.784 2.874 -6.890 383 HD11 ILE 52 HD11 ILE 52 -11.089 3.062 -5.292 384 HD12 ILE 52 HD12 ILE 52 -11.595 3.130 -6.978 385 HD13 ILE 52 HD13 ILE 52 -10.023 2.450 -6.558 386 H HIS 53 H HIS 53 -14.490 0.222 -2.948 387 HA HIS 53 HA HIS 53 -16.424 -0.265 -2.002 388 HB2 HIS 53 HB2 HIS 53 -16.362 2.082 -1.077 389 HB3 HIS 53 HB3 HIS 53 -17.285 2.607 -2.480 390 HD1 HIS 53 HD3 HIS 53 -19.841 1.912 -2.538 391 HD2 HIS 53 HD2 HIS 53 -17.778 0.740 0.870 392 HE1 HIS 53 HE1 HIS 53 -21.600 1.246 -0.871 Start of MODEL 9 1 H1 GLU 1 1HT GLU 1 -15.253 -0.915 -2.152 2 H2 GLU 1 2HT GLU 1 -14.561 -2.208 -1.373 3 H3 GLU 1 3HT GLU 1 -16.073 -2.415 -2.107 4 HA GLU 1 HA GLU 1 -14.419 -3.493 -3.337 5 HB2 GLU 1 HB2 GLU 1 -15.143 -0.886 -4.625 6 HB3 GLU 1 HB3 GLU 1 -14.266 -2.163 -5.445 7 HG2 GLU 1 HG2 GLU 1 -17.061 -2.319 -4.356 8 HG3 GLU 1 HG3 GLU 1 -16.462 -2.336 -6.034 9 H GLU 2 H GLU 2 -12.551 -3.866 -3.303 10 HA GLU 2 HA GLU 2 -10.582 -1.746 -2.813 11 HB2 GLU 2 HB2 GLU 2 -10.571 -4.582 -1.769 12 HB3 GLU 2 HB3 GLU 2 -9.216 -3.479 -1.635 13 HG2 GLU 2 HG2 GLU 2 -10.300 -3.470 0.459 14 HG3 GLU 2 HG3 GLU 2 -10.702 -1.953 -0.337 15 H THR 3 H THR 3 -9.235 -1.464 -4.361 16 HA THR 3 HA THR 3 -8.744 -3.649 -6.243 17 HB THR 3 HB THR 3 -8.395 -0.669 -6.650 18 HG1 THR 3 HG1 THR 3 -10.563 -1.933 -6.342 19 HG21 THR 3 HG21 THR 3 -7.028 -2.099 -8.164 20 HG22 THR 3 HG22 THR 3 -8.313 -1.270 -9.042 21 HG23 THR 3 HG23 THR 3 -8.487 -2.974 -8.629 22 H GLU 4 H GLU 4 -6.674 -4.197 -6.765 23 HA GLU 4 HA GLU 4 -4.692 -3.853 -4.733 24 HB2 GLU 4 HB2 GLU 4 -4.354 -5.087 -7.447 25 HB3 GLU 4 HB3 GLU 4 -3.488 -5.452 -5.962 26 HG2 GLU 4 HG2 GLU 4 -6.411 -6.038 -6.407 27 HG3 GLU 4 HG3 GLU 4 -5.125 -7.196 -6.698 28 H GLU 5 H GLU 5 -2.916 -2.543 -4.885 29 HA GLU 5 HA GLU 5 -2.116 -1.462 -7.471 30 HB2 GLU 5 HB2 GLU 5 -3.716 0.140 -6.439 31 HB3 GLU 5 HB3 GLU 5 -2.633 0.275 -5.065 32 HG2 GLU 5 HG2 GLU 5 -2.310 2.145 -6.475 33 HG3 GLU 5 HG3 GLU 5 -0.881 1.115 -6.603 34 HA PRO 6 HA PRO 6 1.640 -2.514 -5.094 35 HB2 PRO 6 HB2 PRO 6 2.923 -2.486 -7.714 36 HB3 PRO 6 HB3 PRO 6 2.796 -3.811 -6.553 37 HG2 PRO 6 HG2 PRO 6 1.446 -3.811 -8.910 38 HG3 PRO 6 HG3 PRO 6 0.815 -4.581 -7.444 39 HD2 PRO 6 HD2 PRO 6 0.098 -1.937 -8.654 40 HD3 PRO 6 HD3 PRO 6 -0.945 -3.159 -7.895 41 H ILE 7 H ILE 7 2.351 -0.758 -4.159 42 HA ILE 7 HA ILE 7 3.216 1.587 -5.743 43 HB ILE 7 HB ILE 7 2.963 2.947 -3.708 44 HG12 ILE 7 HG12 ILE 7 2.139 0.496 -2.192 45 HG13 ILE 7 HG13 ILE 7 3.844 0.937 -2.268 46 HG21 ILE 7 HG21 ILE 7 0.704 2.629 -3.158 47 HG22 ILE 7 HG22 ILE 7 0.674 1.102 -4.055 48 HG23 ILE 7 HG23 ILE 7 0.983 2.626 -4.904 49 HD11 ILE 7 HD11 ILE 7 2.810 1.772 -0.264 50 HD12 ILE 7 HD12 ILE 7 1.610 2.642 -1.245 51 HD13 ILE 7 HD13 ILE 7 3.322 3.085 -1.331 52 H ARG 8 H ARG 8 5.112 2.713 -4.697 53 HA ARG 8 HA ARG 8 7.257 0.765 -4.224 54 HB2 ARG 8 HB2 ARG 8 7.417 3.761 -4.603 55 HB3 ARG 8 HB3 ARG 8 8.728 2.593 -4.662 56 HG2 ARG 8 HG2 ARG 8 8.056 1.762 -6.730 57 HG3 ARG 8 HG3 ARG 8 6.473 2.549 -6.623 58 HD2 ARG 8 HD2 ARG 8 9.135 3.949 -6.811 59 HD3 ARG 8 HD3 ARG 8 7.989 3.761 -8.136 60 HE ARG 8 HE ARG 8 6.575 4.916 -6.089 61 HH11 ARG 8 HH11 ARG 8 9.428 5.838 -7.973 62 HH12 ARG 8 HH12 ARG 8 9.131 7.496 -7.868 63 HH21 ARG 8 HH21 ARG 8 6.211 7.216 -5.887 64 HH22 ARG 8 HH22 ARG 8 7.254 8.311 -6.662 65 H HIS 9 H HIS 9 8.457 0.859 -2.290 66 HA HIS 9 HA HIS 9 7.894 3.039 -0.442 67 HB2 HIS 9 HB2 HIS 9 6.508 0.932 0.177 68 HB3 HIS 9 HB3 HIS 9 8.053 0.186 0.574 69 HD1 HIS 9 HD3 HIS 9 8.948 0.681 2.952 70 HD2 HIS 9 HD2 HIS 9 5.894 3.221 1.773 71 HE1 HIS 9 HE1 HIS 9 8.414 2.106 4.961 72 H ALA 10 H ALA 10 9.659 3.331 1.068 73 HA ALA 10 HA ALA 10 12.153 2.880 -0.280 74 HB1 ALA 10 HB1 ALA 10 11.606 5.028 0.731 75 HB2 ALA 10 HB2 ALA 10 13.103 4.344 1.374 76 HB3 ALA 10 HB3 ALA 10 11.621 4.271 2.327 77 H LYS 11 H LYS 11 10.732 0.578 1.304 78 HA LYS 11 HA LYS 11 13.148 -0.182 2.787 79 HB2 LYS 11 HB2 LYS 11 10.331 -0.985 3.562 80 HB3 LYS 11 HB3 LYS 11 11.809 -1.332 4.432 81 HG2 LYS 11 HG2 LYS 11 10.635 1.408 4.047 82 HG3 LYS 11 HG3 LYS 11 10.437 0.417 5.484 83 HD2 LYS 11 HD2 LYS 11 12.866 0.487 5.847 84 HD3 LYS 11 HD3 LYS 11 13.047 1.468 4.391 85 HE2 LYS 11 HE2 LYS 11 13.069 2.868 6.374 86 HE3 LYS 11 HE3 LYS 11 11.654 3.205 5.380 87 HZ1 LYS 11 HZ1 LYS 11 11.739 1.625 7.894 88 HZ2 LYS 11 HZ2 LYS 11 10.355 1.745 6.959 89 HZ3 LYS 11 HZ3 LYS 11 11.013 3.125 7.670 90 H LYS 12 H LYS 12 13.739 -2.303 2.482 91 HA LYS 12 HA LYS 12 13.135 -3.519 0.040 92 HB2 LYS 12 HB2 LYS 12 15.198 -3.937 1.285 93 HB3 LYS 12 HB3 LYS 12 14.289 -4.697 2.576 94 HG2 LYS 12 HG2 LYS 12 13.647 -6.503 1.048 95 HG3 LYS 12 HG3 LYS 12 14.592 -5.736 -0.235 96 HD2 LYS 12 HD2 LYS 12 16.617 -5.974 1.078 97 HD3 LYS 12 HD3 LYS 12 15.699 -6.652 2.420 98 HE2 LYS 12 HE2 LYS 12 16.833 -8.404 1.157 99 HE3 LYS 12 HE3 LYS 12 15.085 -8.565 1.037 100 HZ1 LYS 12 HZ1 LYS 12 16.757 -7.268 -1.052 101 HZ2 LYS 12 HZ2 LYS 12 15.122 -7.724 -1.171 102 HZ3 LYS 12 HZ3 LYS 12 16.309 -8.884 -1.057 103 H ASN 13 H ASN 13 12.153 -4.392 3.290 104 HA ASN 13 HA ASN 13 9.665 -5.464 2.244 105 HB2 ASN 13 HB2 ASN 13 11.503 -6.888 4.190 106 HB3 ASN 13 HB3 ASN 13 9.799 -7.289 4.029 107 HD21 ASN 13 HD21 ASN 13 9.100 -8.312 2.161 108 HD22 ASN 13 HD22 ASN 13 10.184 -9.046 1.033 109 HA PRO 14 HA PRO 14 8.977 -2.531 5.609 110 HB2 PRO 14 HB2 PRO 14 6.612 -1.655 4.245 111 HB3 PRO 14 HB3 PRO 14 8.130 -0.787 4.441 112 HG2 PRO 14 HG2 PRO 14 7.133 -1.779 2.049 113 HG3 PRO 14 HG3 PRO 14 8.808 -1.304 2.327 114 HD2 PRO 14 HD2 PRO 14 7.555 -3.982 2.298 115 HD3 PRO 14 HD3 PRO 14 9.202 -3.499 1.807 116 H SER 15 H SER 15 7.347 -2.450 7.137 117 HA SER 15 HA SER 15 5.830 -4.863 7.354 118 HB2 SER 15 HB2 SER 15 5.078 -3.823 9.527 119 HB3 SER 15 HB3 SER 15 6.826 -3.978 9.355 120 HG SER 15 HG SER 15 6.931 -1.798 8.784 121 H GLU 16 H GLU 16 3.458 -4.679 7.981 122 HA GLU 16 HA GLU 16 2.096 -3.686 5.742 123 HB2 GLU 16 HB2 GLU 16 0.951 -4.621 8.393 124 HB3 GLU 16 HB3 GLU 16 0.029 -4.356 6.932 125 HG2 GLU 16 HG2 GLU 16 0.395 -6.723 7.246 126 HG3 GLU 16 HG3 GLU 16 1.283 -6.181 5.827 127 H GLY 17 H GLY 17 2.545 -2.459 8.984 128 HA2 GLY 17 HA2 GLY 17 0.751 -0.294 8.918 129 HA3 GLY 17 HA3 GLY 17 2.218 -0.360 9.890 130 H GLU 18 H GLU 18 4.196 -0.435 8.051 131 HA GLU 18 HA GLU 18 4.561 2.216 7.232 132 HB2 GLU 18 HB2 GLU 18 5.874 -0.318 6.255 133 HB3 GLU 18 HB3 GLU 18 6.416 1.294 5.824 134 HG2 GLU 18 HG2 GLU 18 6.986 1.763 8.097 135 HG3 GLU 18 HG3 GLU 18 6.290 0.230 8.632 136 H CYS 19 H CYS 19 3.771 -0.676 5.345 137 HA CYS 19 HA CYS 19 3.532 0.564 2.884 138 HB2 CYS 19 HB2 CYS 19 2.113 -1.906 3.902 139 HB3 CYS 19 HB3 CYS 19 2.083 -1.365 2.236 140 H LYS 20 H LYS 20 0.948 -0.055 5.302 141 HA LYS 20 HA LYS 20 -1.105 0.993 3.710 142 HB2 LYS 20 HB2 LYS 20 -1.598 -0.377 5.675 143 HB3 LYS 20 HB3 LYS 20 -0.984 0.886 6.734 144 HG2 LYS 20 HG2 LYS 20 -2.762 2.397 5.969 145 HG3 LYS 20 HG3 LYS 20 -3.385 1.131 4.920 146 HD2 LYS 20 HD2 LYS 20 -3.193 0.964 7.927 147 HD3 LYS 20 HD3 LYS 20 -4.653 1.366 7.030 148 HE2 LYS 20 HE2 LYS 20 -4.566 -0.833 5.929 149 HE3 LYS 20 HE3 LYS 20 -3.116 -1.226 6.850 150 HZ1 LYS 20 HZ1 LYS 20 -5.069 -2.173 7.886 151 HZ2 LYS 20 HZ2 LYS 20 -5.788 -0.651 7.988 152 HZ3 LYS 20 HZ3 LYS 20 -4.430 -0.970 8.887 153 H LYS 21 H LYS 21 1.037 2.539 6.000 154 HA LYS 21 HA LYS 21 -0.231 5.038 6.043 155 HB2 LYS 21 HB2 LYS 21 1.454 4.213 7.671 156 HB3 LYS 21 HB3 LYS 21 2.679 4.390 6.431 157 HG2 LYS 21 HG2 LYS 21 2.493 6.742 6.439 158 HG3 LYS 21 HG3 LYS 21 1.020 6.689 7.409 159 HD2 LYS 21 HD2 LYS 21 2.942 7.317 8.785 160 HD3 LYS 21 HD3 LYS 21 2.275 5.771 9.296 161 HE2 LYS 21 HE2 LYS 21 4.058 4.632 7.986 162 HE3 LYS 21 HE3 LYS 21 4.739 6.217 7.613 163 HZ1 LYS 21 HZ1 LYS 21 4.431 5.011 10.297 164 HZ2 LYS 21 HZ2 LYS 21 5.006 6.565 10.019 165 HZ3 LYS 21 HZ3 LYS 21 5.872 5.223 9.458 166 H ALA 22 H ALA 22 2.336 3.726 3.994 167 HA ALA 22 HA ALA 22 2.702 6.108 2.491 168 HB1 ALA 22 HB1 ALA 22 3.980 4.713 0.953 169 HB2 ALA 22 HB2 ALA 22 3.357 3.262 1.744 170 HB3 ALA 22 HB3 ALA 22 4.406 4.372 2.631 171 H CYS 23 H CYS 23 0.754 3.190 1.999 172 HA CYS 23 HA CYS 23 -0.339 3.768 -0.515 173 HB2 CYS 23 HB2 CYS 23 -1.709 2.433 1.834 174 HB3 CYS 23 HB3 CYS 23 -2.267 2.376 0.172 175 H ALA 24 H ALA 24 -1.343 4.706 2.719 176 HA ALA 24 HA ALA 24 -3.675 6.098 2.075 177 HB1 ALA 24 HB1 ALA 24 -3.057 5.398 4.325 178 HB2 ALA 24 HB2 ALA 24 -3.395 7.129 4.259 179 HB3 ALA 24 HB3 ALA 24 -1.727 6.556 4.325 180 H ASP 25 H ASP 25 -0.441 7.300 2.792 181 HA ASP 25 HA ASP 25 -0.796 9.989 2.323 182 HB2 ASP 25 HB2 ASP 25 1.197 9.138 3.373 183 HB3 ASP 25 HB3 ASP 25 1.660 8.293 1.905 184 H ALA 26 H ALA 26 0.169 7.525 -0.041 185 HA ALA 26 HA ALA 26 0.430 9.504 -2.107 186 HB1 ALA 26 HB1 ALA 26 1.107 7.682 -3.535 187 HB2 ALA 26 HB2 ALA 26 0.590 6.509 -2.323 188 HB3 ALA 26 HB3 ALA 26 1.942 7.591 -1.985 189 H PHE 27 H PHE 27 -2.308 7.946 -0.884 190 HA PHE 27 HA PHE 27 -3.548 8.311 -3.513 191 HB2 PHE 27 HB2 PHE 27 -3.968 5.983 -1.667 192 HB3 PHE 27 HB3 PHE 27 -5.149 6.410 -2.903 193 HD1 PHE 27 HD1 PHE 27 -2.070 4.593 -2.254 194 HD2 PHE 27 HD2 PHE 27 -4.306 6.634 -5.290 195 HE1 PHE 27 HE1 PHE 27 -0.846 3.433 -3.937 196 HE2 PHE 27 HE2 PHE 27 -3.019 5.468 -6.991 197 HZ PHE 27 HZ PHE 27 -1.263 3.855 -6.324 198 H ALA 28 H ALA 28 -4.320 8.102 -0.078 199 HA ALA 28 HA ALA 28 -6.681 9.756 -0.608 200 HB1 ALA 28 HB1 ALA 28 -7.004 7.617 0.602 201 HB2 ALA 28 HB2 ALA 28 -7.501 9.026 1.528 202 HB3 ALA 28 HB3 ALA 28 -5.968 8.229 1.895 203 H ASN 29 H ASN 29 -3.690 10.329 -0.220 204 HA ASN 29 HA ASN 29 -2.407 12.061 0.397 205 HB2 ASN 29 HB2 ASN 29 -5.060 13.402 0.962 206 HB3 ASN 29 HB3 ASN 29 -3.521 14.237 1.099 207 HD21 ASN 29 HD21 ASN 29 -2.385 14.739 -0.791 208 HD22 ASN 29 HD22 ASN 29 -3.097 14.645 -2.359 209 H GLY 30 H GLY 30 -3.562 10.090 2.470 210 HA2 GLY 30 HA2 GLY 30 -1.937 10.231 4.509 211 HA3 GLY 30 HA3 GLY 30 -2.920 11.640 4.883 212 H ASP 31 H ASP 31 -5.362 10.440 3.900 213 HA ASP 31 HA ASP 31 -6.226 9.178 6.280 214 HB2 ASP 31 HB2 ASP 31 -7.845 10.397 4.997 215 HB3 ASP 31 HB3 ASP 31 -7.543 9.405 3.577 216 H GLN 32 H GLN 32 -6.180 7.139 6.899 217 HA GLN 32 HA GLN 32 -5.148 5.178 4.990 218 HB2 GLN 32 HB2 GLN 32 -5.471 4.834 7.973 219 HB3 GLN 32 HB3 GLN 32 -4.558 3.810 6.881 220 HG2 GLN 32 HG2 GLN 32 -3.071 5.791 6.439 221 HG3 GLN 32 HG3 GLN 32 -3.913 6.610 7.751 222 HE21 GLN 32 HE21 GLN 32 -1.155 5.968 7.595 223 HE22 GLN 32 HE22 GLN 32 -0.785 4.907 8.902 224 H SER 33 H SER 33 -8.108 6.191 5.881 225 HA SER 33 HA SER 33 -9.403 3.753 6.624 226 HB2 SER 33 HB2 SER 33 -10.697 6.216 5.459 227 HB3 SER 33 HB3 SER 33 -11.395 5.037 6.570 228 HG SER 33 HG SER 33 -9.811 7.212 7.018 229 H LYS 34 H LYS 34 -8.771 5.540 3.725 230 HA LYS 34 HA LYS 34 -10.456 4.005 2.009 231 HB2 LYS 34 HB2 LYS 34 -9.837 6.344 1.550 232 HB3 LYS 34 HB3 LYS 34 -8.161 5.866 1.364 233 HG2 LYS 34 HG2 LYS 34 -8.718 4.593 -0.608 234 HG3 LYS 34 HG3 LYS 34 -10.429 4.957 -0.390 235 HD2 LYS 34 HD2 LYS 34 -10.002 7.321 -0.732 236 HD3 LYS 34 HD3 LYS 34 -8.268 7.014 -0.846 237 HE2 LYS 34 HE2 LYS 34 -9.248 7.298 -3.048 238 HE3 LYS 34 HE3 LYS 34 -8.625 5.668 -2.832 239 HZ1 LYS 34 HZ1 LYS 34 -11.485 6.484 -2.679 240 HZ2 LYS 34 HZ2 LYS 34 -10.939 4.929 -2.390 241 HZ3 LYS 34 HZ3 LYS 34 -10.741 5.626 -3.920 242 H ILE 35 H ILE 35 -7.668 3.173 3.539 243 HA ILE 35 HA ILE 35 -6.931 1.289 1.416 244 HB ILE 35 HB ILE 35 -5.189 2.227 3.720 245 HG12 ILE 35 HG12 ILE 35 -5.504 4.063 2.122 246 HG13 ILE 35 HG13 ILE 35 -3.859 3.451 2.033 247 HG21 ILE 35 HG21 ILE 35 -3.370 1.063 2.528 248 HG22 ILE 35 HG22 ILE 35 -4.537 0.508 1.325 249 HG23 ILE 35 HG23 ILE 35 -4.670 -0.038 2.989 250 HD11 ILE 35 HD11 ILE 35 -6.093 2.876 0.093 251 HD12 ILE 35 HD12 ILE 35 -4.468 2.200 -0.000 252 HD13 ILE 35 HD13 ILE 35 -4.710 3.940 -0.178 253 H ALA 36 H ALA 36 -7.869 -0.575 1.859 254 HA ALA 36 HA ALA 36 -8.806 -1.207 4.498 255 HB1 ALA 36 HB1 ALA 36 -10.051 -1.907 2.499 256 HB2 ALA 36 HB2 ALA 36 -9.611 -3.288 3.504 257 HB3 ALA 36 HB3 ALA 36 -8.702 -2.941 2.034 258 H LYS 37 H LYS 37 -6.347 -2.487 2.347 259 HA LYS 37 HA LYS 37 -4.905 -3.606 4.627 260 HB2 LYS 37 HB2 LYS 37 -5.591 -5.094 2.080 261 HB3 LYS 37 HB3 LYS 37 -4.465 -5.654 3.295 262 HG2 LYS 37 HG2 LYS 37 -6.228 -5.990 4.868 263 HG3 LYS 37 HG3 LYS 37 -7.392 -5.182 3.811 264 HD2 LYS 37 HD2 LYS 37 -7.175 -6.920 2.159 265 HD3 LYS 37 HD3 LYS 37 -5.886 -7.687 3.078 266 HE2 LYS 37 HE2 LYS 37 -8.709 -7.340 4.072 267 HE3 LYS 37 HE3 LYS 37 -8.116 -8.791 3.272 268 HZ1 LYS 37 HZ1 LYS 37 -7.096 -7.679 5.837 269 HZ2 LYS 37 HZ2 LYS 37 -6.509 -9.068 5.074 270 HZ3 LYS 37 HZ3 LYS 37 -8.081 -9.023 5.654 271 H ALA 38 H ALA 38 -2.664 -4.002 4.015 272 HA ALA 38 HA ALA 38 -1.744 -3.186 1.428 273 HB1 ALA 38 HB1 ALA 38 -1.817 -1.037 2.610 274 HB2 ALA 38 HB2 ALA 38 -0.153 -1.544 2.321 275 HB3 ALA 38 HB3 ALA 38 -0.865 -1.726 3.925 276 H GLU 39 H GLU 39 -0.336 -4.641 0.958 277 HA GLU 39 HA GLU 39 0.953 -6.208 3.131 278 HB2 GLU 39 HB2 GLU 39 0.054 -7.099 0.392 279 HB3 GLU 39 HB3 GLU 39 0.787 -8.109 1.624 280 HG2 GLU 39 HG2 GLU 39 -1.845 -6.706 1.992 281 HG3 GLU 39 HG3 GLU 39 -1.696 -8.329 1.330 282 H ASN 40 H ASN 40 3.057 -7.167 2.423 283 HA ASN 40 HA ASN 40 4.501 -5.419 0.683 284 HB2 ASN 40 HB2 ASN 40 5.785 -6.380 2.490 285 HB3 ASN 40 HB3 ASN 40 5.320 -8.012 2.014 286 HD21 ASN 40 HD21 ASN 40 7.201 -5.223 1.057 287 HD22 ASN 40 HD22 ASN 40 8.296 -6.063 0.021 288 H PHE 41 H PHE 41 4.723 -5.563 -1.378 289 HA PHE 41 HA PHE 41 3.441 -7.805 -2.711 290 HB2 PHE 41 HB2 PHE 41 2.762 -5.510 -3.341 291 HB3 PHE 41 HB3 PHE 41 4.416 -5.160 -3.809 292 HD1 PHE 41 HD1 PHE 41 5.149 -5.594 -5.991 293 HD2 PHE 41 HD2 PHE 41 1.537 -7.379 -4.593 294 HE1 PHE 41 HE1 PHE 41 4.672 -6.409 -8.259 295 HE2 PHE 41 HE2 PHE 41 1.062 -8.186 -6.861 296 HZ PHE 41 HZ PHE 41 2.628 -7.704 -8.693 297 H LYS 42 H LYS 42 6.504 -6.007 -2.637 298 HA LYS 42 HA LYS 42 7.974 -8.279 -3.505 299 HB2 LYS 42 HB2 LYS 42 6.861 -7.385 -5.613 300 HB3 LYS 42 HB3 LYS 42 7.725 -5.887 -5.371 301 HG2 LYS 42 HG2 LYS 42 9.833 -7.027 -5.705 302 HG3 LYS 42 HG3 LYS 42 8.975 -8.568 -5.842 303 HD2 LYS 42 HD2 LYS 42 7.764 -7.700 -7.796 304 HD3 LYS 42 HD3 LYS 42 8.683 -6.199 -7.681 305 HE2 LYS 42 HE2 LYS 42 9.626 -7.706 -9.368 306 HE3 LYS 42 HE3 LYS 42 10.749 -7.412 -8.042 307 HZ1 LYS 42 HZ1 LYS 42 10.699 -9.753 -8.654 308 HZ2 LYS 42 HZ2 LYS 42 9.052 -9.850 -8.329 309 HZ3 LYS 42 HZ3 LYS 42 10.143 -9.547 -7.096 310 H ASP 43 H ASP 43 10.362 -7.292 -3.905 311 HA ASP 43 HA ASP 43 11.145 -5.911 -1.615 312 HB2 ASP 43 HB2 ASP 43 12.566 -6.120 -4.285 313 HB3 ASP 43 HB3 ASP 43 13.306 -5.548 -2.798 314 H TYR 44 H TYR 44 10.737 -3.949 -1.087 315 HA TYR 44 HA TYR 44 10.452 -1.728 -1.064 316 HB2 TYR 44 HB2 TYR 44 11.696 -1.807 -3.825 317 HB3 TYR 44 HB3 TYR 44 11.275 -0.317 -2.992 318 HD1 TYR 44 HD1 TYR 44 12.664 0.542 -1.243 319 HD2 TYR 44 HD2 TYR 44 13.506 -3.248 -2.956 320 HE1 TYR 44 HE1 TYR 44 14.858 0.549 -0.147 321 HE2 TYR 44 HE2 TYR 44 15.695 -3.269 -1.868 322 HH TYR 44 HH TYR 44 16.594 -1.132 0.574 323 H TYR 45 H TYR 45 8.436 -3.642 -2.256 324 HA TYR 45 HA TYR 45 6.672 -1.532 -3.288 325 HB2 TYR 45 HB2 TYR 45 6.953 -4.306 -4.439 326 HB3 TYR 45 HB3 TYR 45 5.614 -3.228 -4.797 327 HD1 TYR 45 HD1 TYR 45 6.191 -0.968 -5.839 328 HD2 TYR 45 HD2 TYR 45 8.908 -4.228 -5.745 329 HE1 TYR 45 HE1 TYR 45 7.437 0.029 -7.692 330 HE2 TYR 45 HE2 TYR 45 10.166 -3.248 -7.594 331 HH TYR 45 HH TYR 45 9.746 -0.078 -8.578 332 H CYS 46 H CYS 46 4.670 -1.573 -2.636 333 HA CYS 46 HA CYS 46 3.826 -3.763 -0.864 334 HB2 CYS 46 HB2 CYS 46 3.239 -0.810 -0.513 335 HB3 CYS 46 HB3 CYS 46 2.592 -2.113 0.477 336 H ASN 47 H ASN 47 1.726 -4.424 -1.105 337 HA ASN 47 HA ASN 47 0.315 -3.464 -3.510 338 HB2 ASN 47 HB2 ASN 47 0.670 -5.936 -3.226 339 HB3 ASN 47 HB3 ASN 47 -0.275 -5.855 -1.742 340 HD21 ASN 47 HD21 ASN 47 -1.928 -7.112 -2.416 341 HD22 ASN 47 HD22 ASN 47 -3.066 -6.670 -3.637 342 H CYS 48 H CYS 48 -0.995 -1.874 -3.091 343 HA CYS 48 HA CYS 48 -2.185 -1.639 -0.462 344 HB2 CYS 48 HB2 CYS 48 -2.352 0.254 -2.820 345 HB3 CYS 48 HB3 CYS 48 -2.810 0.534 -1.137 346 H HIS 49 H HIS 49 -4.297 -1.898 -0.112 347 HA HIS 49 HA HIS 49 -5.908 -2.763 -2.387 348 HB2 HIS 49 HB2 HIS 49 -6.262 -3.333 0.563 349 HB3 HIS 49 HB3 HIS 49 -7.278 -3.977 -0.727 350 HD1 HIS 49 HD3 HIS 49 -6.390 -6.135 -1.924 351 HD2 HIS 49 HD2 HIS 49 -3.618 -4.353 0.591 352 HE1 HIS 49 HE1 HIS 49 -4.627 -7.844 -1.546 353 H ILE 50 H ILE 50 -6.619 -0.938 -3.018 354 HA ILE 50 HA ILE 50 -7.287 1.155 -1.133 355 HB ILE 50 HB ILE 50 -7.333 1.277 -4.152 356 HG12 ILE 50 HG12 ILE 50 -5.058 1.995 -2.291 357 HG13 ILE 50 HG13 ILE 50 -5.128 0.505 -3.222 358 HG21 ILE 50 HG21 ILE 50 -7.017 3.342 -1.987 359 HG22 ILE 50 HG22 ILE 50 -8.486 3.085 -2.932 360 HG23 ILE 50 HG23 ILE 50 -7.015 3.685 -3.719 361 HD11 ILE 50 HD11 ILE 50 -5.065 3.291 -4.352 362 HD12 ILE 50 HD12 ILE 50 -5.120 1.778 -5.273 363 HD13 ILE 50 HD13 ILE 50 -3.719 2.149 -4.278 364 H ILE 51 H ILE 51 -9.262 1.536 -0.524 365 HA ILE 51 HA ILE 51 -11.506 0.172 -1.691 366 HB ILE 51 HB ILE 51 -11.479 2.337 0.452 367 HG12 ILE 51 HG12 ILE 51 -11.533 -0.661 0.843 368 HG13 ILE 51 HG13 ILE 51 -10.105 0.344 1.106 369 HG21 ILE 51 HG21 ILE 51 -13.654 1.988 -0.586 370 HG22 ILE 51 HG22 ILE 51 -13.662 1.378 1.071 371 HG23 ILE 51 HG23 ILE 51 -13.537 0.257 -0.280 372 HD11 ILE 51 HD11 ILE 51 -11.320 1.514 2.891 373 HD12 ILE 51 HD12 ILE 51 -11.208 -0.219 3.195 374 HD13 ILE 51 HD13 ILE 51 -12.716 0.477 2.603 375 H ILE 52 H ILE 52 -11.985 0.965 -3.626 376 HA ILE 52 HA ILE 52 -11.880 3.823 -4.157 377 HB ILE 52 HB ILE 52 -12.758 1.553 -5.986 378 HG12 ILE 52 HG12 ILE 52 -10.099 2.990 -5.741 379 HG13 ILE 52 HG13 ILE 52 -10.426 1.318 -5.318 380 HG21 ILE 52 HG21 ILE 52 -13.677 3.716 -6.672 381 HG22 ILE 52 HG22 ILE 52 -12.444 3.166 -7.806 382 HG23 ILE 52 HG23 ILE 52 -12.061 4.425 -6.634 383 HD11 ILE 52 HD11 ILE 52 -10.544 2.490 -8.086 384 HD12 ILE 52 HD12 ILE 52 -10.851 0.806 -7.660 385 HD13 ILE 52 HD13 ILE 52 -9.245 1.494 -7.428 386 H HIS 53 H HIS 53 -14.117 1.356 -3.457 387 HA HIS 53 HA HIS 53 -16.256 3.322 -3.290 388 HB2 HIS 53 HB2 HIS 53 -16.676 1.892 -5.297 389 HB3 HIS 53 HB3 HIS 53 -16.539 0.461 -4.288 390 HD1 HIS 53 HD3 HIS 53 -18.950 3.111 -5.306 391 HD2 HIS 53 HD2 HIS 53 -18.719 0.011 -2.553 392 HE1 HIS 53 HE1 HIS 53 -21.299 2.728 -4.498 Start of MODEL 10 1 H1 GLU 1 1HT GLU 1 -14.995 -2.193 -1.331 2 H2 GLU 1 2HT GLU 1 -16.388 -2.644 -2.117 3 H3 GLU 1 3HT GLU 1 -15.577 -1.259 -2.604 4 HA GLU 1 HA GLU 1 -14.613 -4.081 -2.644 5 HB2 GLU 1 HB2 GLU 1 -15.301 -2.301 -4.986 6 HB3 GLU 1 HB3 GLU 1 -14.693 -3.951 -5.099 7 HG2 GLU 1 HG2 GLU 1 -17.307 -3.040 -3.959 8 HG3 GLU 1 HG3 GLU 1 -17.063 -3.997 -5.424 9 H GLU 2 H GLU 2 -12.603 -4.405 -3.882 10 HA GLU 2 HA GLU 2 -10.708 -2.330 -2.986 11 HB2 GLU 2 HB2 GLU 2 -10.433 -5.310 -3.156 12 HB3 GLU 2 HB3 GLU 2 -9.112 -4.216 -2.789 13 HG2 GLU 2 HG2 GLU 2 -10.124 -3.565 -0.742 14 HG3 GLU 2 HG3 GLU 2 -11.625 -4.395 -1.155 15 H THR 3 H THR 3 -9.013 -1.781 -4.211 16 HA THR 3 HA THR 3 -8.492 -3.171 -6.741 17 HB THR 3 HB THR 3 -8.069 -0.216 -6.128 18 HG1 THR 3 HG1 THR 3 -10.100 -1.646 -7.242 19 HG21 THR 3 HG21 THR 3 -6.346 -1.132 -7.639 20 HG22 THR 3 HG22 THR 3 -7.415 -0.022 -8.495 21 HG23 THR 3 HG23 THR 3 -7.610 -1.761 -8.695 22 H GLU 4 H GLU 4 -6.546 -4.080 -6.716 23 HA GLU 4 HA GLU 4 -4.767 -3.443 -4.517 24 HB2 GLU 4 HB2 GLU 4 -4.728 -5.667 -6.551 25 HB3 GLU 4 HB3 GLU 4 -3.501 -5.433 -5.312 26 HG2 GLU 4 HG2 GLU 4 -5.180 -5.734 -3.577 27 HG3 GLU 4 HG3 GLU 4 -6.421 -5.952 -4.811 28 H GLU 5 H GLU 5 -2.957 -2.391 -4.758 29 HA GLU 5 HA GLU 5 -2.034 -1.732 -7.470 30 HB2 GLU 5 HB2 GLU 5 -3.581 0.005 -6.580 31 HB3 GLU 5 HB3 GLU 5 -2.479 0.242 -5.237 32 HG2 GLU 5 HG2 GLU 5 -2.108 1.964 -6.811 33 HG3 GLU 5 HG3 GLU 5 -0.725 0.870 -6.879 34 HA PRO 6 HA PRO 6 1.766 -2.480 -5.050 35 HB2 PRO 6 HB2 PRO 6 3.177 -2.527 -7.558 36 HB3 PRO 6 HB3 PRO 6 2.887 -3.863 -6.443 37 HG2 PRO 6 HG2 PRO 6 1.744 -3.688 -8.941 38 HG3 PRO 6 HG3 PRO 6 1.035 -4.586 -7.589 39 HD2 PRO 6 HD2 PRO 6 0.340 -1.875 -8.644 40 HD3 PRO 6 HD3 PRO 6 -0.715 -3.160 -8.010 41 H ILE 7 H ILE 7 2.368 -0.634 -4.194 42 HA ILE 7 HA ILE 7 3.120 1.647 -5.917 43 HB ILE 7 HB ILE 7 2.855 3.110 -3.984 44 HG12 ILE 7 HG12 ILE 7 2.104 0.735 -2.307 45 HG13 ILE 7 HG13 ILE 7 3.788 1.247 -2.415 46 HG21 ILE 7 HG21 ILE 7 0.586 2.752 -3.415 47 HG22 ILE 7 HG22 ILE 7 0.613 1.173 -4.216 48 HG23 ILE 7 HG23 ILE 7 0.873 2.652 -5.155 49 HD11 ILE 7 HD11 ILE 7 1.479 2.911 -1.498 50 HD12 ILE 7 HD12 ILE 7 3.169 3.425 -1.626 51 HD13 ILE 7 HD13 ILE 7 2.717 2.160 -0.473 52 H ARG 8 H ARG 8 4.960 2.949 -5.123 53 HA ARG 8 HA ARG 8 7.241 1.279 -4.563 54 HB2 ARG 8 HB2 ARG 8 7.031 4.285 -4.770 55 HB3 ARG 8 HB3 ARG 8 8.516 3.365 -4.688 56 HG2 ARG 8 HG2 ARG 8 7.979 2.353 -6.855 57 HG3 ARG 8 HG3 ARG 8 6.531 3.371 -6.944 58 HD2 ARG 8 HD2 ARG 8 8.005 5.347 -6.631 59 HD3 ARG 8 HD3 ARG 8 9.391 4.278 -6.754 60 HE ARG 8 HE ARG 8 7.837 3.871 -9.002 61 HH11 ARG 8 HH11 ARG 8 9.727 6.471 -7.553 62 HH12 ARG 8 HH12 ARG 8 10.081 7.270 -8.994 63 HH21 ARG 8 HH21 ARG 8 8.281 4.962 -11.048 64 HH22 ARG 8 HH22 ARG 8 9.216 6.384 -11.057 65 H HIS 9 H HIS 9 8.332 1.171 -2.646 66 HA HIS 9 HA HIS 9 7.624 3.011 -0.492 67 HB2 HIS 9 HB2 HIS 9 6.444 0.722 -0.277 68 HB3 HIS 9 HB3 HIS 9 8.052 0.041 -0.055 69 HD1 HIS 9 HD3 HIS 9 9.374 0.967 2.172 70 HD2 HIS 9 HD2 HIS 9 5.308 1.749 1.924 71 HE1 HIS 9 HE1 HIS 9 8.655 1.666 4.472 72 H ALA 10 H ALA 10 9.468 3.479 0.809 73 HA ALA 10 HA ALA 10 11.959 2.905 -0.577 74 HB1 ALA 10 HB1 ALA 10 11.428 4.783 1.719 75 HB2 ALA 10 HB2 ALA 10 11.404 5.215 0.007 76 HB3 ALA 10 HB3 ALA 10 12.906 4.676 0.764 77 H LYS 11 H LYS 11 10.952 0.646 0.794 78 HA LYS 11 HA LYS 11 13.138 0.116 2.596 79 HB2 LYS 11 HB2 LYS 11 11.170 0.975 3.998 80 HB3 LYS 11 HB3 LYS 11 10.261 -0.408 3.429 81 HG2 LYS 11 HG2 LYS 11 11.933 -1.899 4.473 82 HG3 LYS 11 HG3 LYS 11 12.757 -0.476 5.111 83 HD2 LYS 11 HD2 LYS 11 9.907 -1.286 5.716 84 HD3 LYS 11 HD3 LYS 11 11.284 -1.523 6.783 85 HE2 LYS 11 HE2 LYS 11 10.216 1.160 5.860 86 HE3 LYS 11 HE3 LYS 11 9.891 0.414 7.416 87 HZ1 LYS 11 HZ1 LYS 11 12.296 0.535 7.887 88 HZ2 LYS 11 HZ2 LYS 11 11.579 2.031 7.638 89 HZ3 LYS 11 HZ3 LYS 11 12.533 1.371 6.431 90 H LYS 12 H LYS 12 13.593 -2.150 2.472 91 HA LYS 12 HA LYS 12 12.813 -3.242 -0.003 92 HB2 LYS 12 HB2 LYS 12 15.008 -3.655 1.106 93 HB3 LYS 12 HB3 LYS 12 14.189 -4.702 2.261 94 HG2 LYS 12 HG2 LYS 12 13.468 -6.136 0.396 95 HG3 LYS 12 HG3 LYS 12 14.354 -5.107 -0.717 96 HD2 LYS 12 HD2 LYS 12 15.567 -6.763 1.521 97 HD3 LYS 12 HD3 LYS 12 15.578 -7.170 -0.184 98 HE2 LYS 12 HE2 LYS 12 17.714 -6.305 0.177 99 HE3 LYS 12 HE3 LYS 12 16.841 -4.933 -0.489 100 HZ1 LYS 12 HZ1 LYS 12 17.365 -5.392 2.403 101 HZ2 LYS 12 HZ2 LYS 12 16.668 -3.995 1.755 102 HZ3 LYS 12 HZ3 LYS 12 18.256 -4.390 1.413 103 H ASN 13 H ASN 13 11.969 -4.199 3.309 104 HA ASN 13 HA ASN 13 9.533 -5.400 2.231 105 HB2 ASN 13 HB2 ASN 13 11.205 -7.232 2.593 106 HB3 ASN 13 HB3 ASN 13 11.275 -6.784 4.289 107 HD21 ASN 13 HD21 ASN 13 9.528 -8.414 1.852 108 HD22 ASN 13 HD22 ASN 13 8.314 -9.099 2.867 109 HA PRO 14 HA PRO 14 8.538 -2.880 5.865 110 HB2 PRO 14 HB2 PRO 14 6.264 -1.880 4.463 111 HB3 PRO 14 HB3 PRO 14 7.763 -1.027 4.830 112 HG2 PRO 14 HG2 PRO 14 6.940 -1.728 2.292 113 HG3 PRO 14 HG3 PRO 14 8.618 -1.401 2.745 114 HD2 PRO 14 HD2 PRO 14 7.187 -3.998 2.472 115 HD3 PRO 14 HD3 PRO 14 8.840 -3.551 1.946 116 H SER 15 H SER 15 6.846 -3.059 7.347 117 HA SER 15 HA SER 15 5.180 -5.393 7.140 118 HB2 SER 15 HB2 SER 15 5.329 -3.244 9.276 119 HB3 SER 15 HB3 SER 15 4.612 -4.848 9.452 120 HG SER 15 HG SER 15 6.819 -5.584 8.797 121 H GLU 16 H GLU 16 2.754 -5.011 7.866 122 HA GLU 16 HA GLU 16 1.454 -3.581 5.875 123 HB2 GLU 16 HB2 GLU 16 0.405 -4.545 8.523 124 HB3 GLU 16 HB3 GLU 16 -0.616 -3.805 7.303 125 HG2 GLU 16 HG2 GLU 16 0.058 -5.587 5.736 126 HG3 GLU 16 HG3 GLU 16 0.944 -6.367 7.045 127 H GLY 17 H GLY 17 2.360 -2.548 9.094 128 HA2 GLY 17 HA2 GLY 17 0.868 -0.187 9.220 129 HA3 GLY 17 HA3 GLY 17 2.403 -0.455 10.037 130 H GLU 18 H GLU 18 4.192 -0.661 8.081 131 HA GLU 18 HA GLU 18 4.592 2.002 7.262 132 HB2 GLU 18 HB2 GLU 18 5.962 -0.478 6.222 133 HB3 GLU 18 HB3 GLU 18 6.508 1.169 5.963 134 HG2 GLU 18 HG2 GLU 18 6.441 -0.385 8.521 135 HG3 GLU 18 HG3 GLU 18 7.835 0.242 7.662 136 H CYS 19 H CYS 19 3.625 -0.883 5.467 137 HA CYS 19 HA CYS 19 3.472 0.362 2.989 138 HB2 CYS 19 HB2 CYS 19 2.059 -2.074 4.050 139 HB3 CYS 19 HB3 CYS 19 1.899 -1.533 2.387 140 H LYS 20 H LYS 20 0.857 -0.141 5.408 141 HA LYS 20 HA LYS 20 -1.114 1.057 3.827 142 HB2 LYS 20 HB2 LYS 20 -1.681 -0.326 5.769 143 HB3 LYS 20 HB3 LYS 20 -0.980 0.868 6.849 144 HG2 LYS 20 HG2 LYS 20 -2.680 2.484 6.210 145 HG3 LYS 20 HG3 LYS 20 -3.366 1.338 5.064 146 HD2 LYS 20 HD2 LYS 20 -3.189 0.875 8.046 147 HD3 LYS 20 HD3 LYS 20 -4.617 1.494 7.219 148 HE2 LYS 20 HE2 LYS 20 -4.714 -0.583 5.885 149 HE3 LYS 20 HE3 LYS 20 -3.309 -1.191 6.759 150 HZ1 LYS 20 HZ1 LYS 20 -5.913 -0.488 7.994 151 HZ2 LYS 20 HZ2 LYS 20 -4.576 -1.110 8.798 152 HZ3 LYS 20 HZ3 LYS 20 -5.385 -2.053 7.665 153 H LYS 21 H LYS 21 1.175 2.411 6.100 154 HA LYS 21 HA LYS 21 0.215 5.034 6.194 155 HB2 LYS 21 HB2 LYS 21 1.884 4.186 7.741 156 HB3 LYS 21 HB3 LYS 21 3.003 3.917 6.421 157 HG2 LYS 21 HG2 LYS 21 3.334 6.267 6.134 158 HG3 LYS 21 HG3 LYS 21 2.029 6.641 7.260 159 HD2 LYS 21 HD2 LYS 21 4.238 6.907 8.324 160 HD3 LYS 21 HD3 LYS 21 3.288 5.640 9.090 161 HE2 LYS 21 HE2 LYS 21 4.547 3.949 7.785 162 HE3 LYS 21 HE3 LYS 21 5.521 5.247 7.094 163 HZ1 LYS 21 HZ1 LYS 21 5.369 4.613 9.993 164 HZ2 LYS 21 HZ2 LYS 21 6.405 5.725 9.262 165 HZ3 LYS 21 HZ3 LYS 21 6.581 4.068 8.953 166 H ALA 22 H ALA 22 2.589 3.550 4.000 167 HA ALA 22 HA ALA 22 3.015 5.886 2.454 168 HB1 ALA 22 HB1 ALA 22 4.616 4.030 2.522 169 HB2 ALA 22 HB2 ALA 22 4.137 4.419 0.869 170 HB3 ALA 22 HB3 ALA 22 3.453 3.009 1.677 171 H CYS 23 H CYS 23 0.896 3.078 2.029 172 HA CYS 23 HA CYS 23 -0.193 3.731 -0.468 173 HB2 CYS 23 HB2 CYS 23 -1.495 2.310 1.858 174 HB3 CYS 23 HB3 CYS 23 -2.129 2.338 0.218 175 H ALA 24 H ALA 24 -1.158 4.649 2.785 176 HA ALA 24 HA ALA 24 -3.480 6.077 2.195 177 HB1 ALA 24 HB1 ALA 24 -2.778 5.389 4.425 178 HB2 ALA 24 HB2 ALA 24 -3.082 7.128 4.354 179 HB3 ALA 24 HB3 ALA 24 -1.426 6.515 4.347 180 H ASP 25 H ASP 25 -0.200 7.134 2.766 181 HA ASP 25 HA ASP 25 -0.330 9.830 2.328 182 HB2 ASP 25 HB2 ASP 25 1.598 8.688 3.242 183 HB3 ASP 25 HB3 ASP 25 1.870 7.867 1.719 184 H ALA 26 H ALA 26 0.081 7.273 -0.091 185 HA ALA 26 HA ALA 26 0.363 9.237 -2.202 186 HB1 ALA 26 HB1 ALA 26 0.391 6.235 -2.382 187 HB2 ALA 26 HB2 ALA 26 1.808 7.274 -2.201 188 HB3 ALA 26 HB3 ALA 26 0.826 7.366 -3.662 189 H PHE 27 H PHE 27 -2.349 7.701 -0.789 190 HA PHE 27 HA PHE 27 -3.756 8.147 -3.329 191 HB2 PHE 27 HB2 PHE 27 -4.001 5.698 -1.632 192 HB3 PHE 27 HB3 PHE 27 -5.275 6.169 -2.755 193 HD1 PHE 27 HD1 PHE 27 -4.571 6.618 -5.168 194 HD2 PHE 27 HD2 PHE 27 -2.170 4.405 -2.417 195 HE1 PHE 27 HE1 PHE 27 -3.366 5.593 -7.034 196 HE2 PHE 27 HE2 PHE 27 -0.997 3.378 -4.277 197 HZ PHE 27 HZ PHE 27 -1.569 3.974 -6.595 198 H ALA 28 H ALA 28 -3.848 8.606 0.013 199 HA ALA 28 HA ALA 28 -6.444 9.919 -0.326 200 HB1 ALA 28 HB1 ALA 28 -7.089 9.213 1.906 201 HB2 ALA 28 HB2 ALA 28 -5.563 8.358 2.096 202 HB3 ALA 28 HB3 ALA 28 -6.739 7.800 0.911 203 H ASN 29 H ASN 29 -3.504 10.623 -0.290 204 HA ASN 29 HA ASN 29 -2.107 12.208 0.431 205 HB2 ASN 29 HB2 ASN 29 -4.720 13.543 1.131 206 HB3 ASN 29 HB3 ASN 29 -3.170 14.343 1.338 207 HD21 ASN 29 HD21 ASN 29 -2.003 14.914 -0.473 208 HD22 ASN 29 HD22 ASN 29 -2.681 15.011 -2.042 209 H GLY 30 H GLY 30 -3.030 10.116 2.423 210 HA2 GLY 30 HA2 GLY 30 -1.411 10.181 4.416 211 HA3 GLY 30 HA3 GLY 30 -2.337 11.604 4.862 212 H ASP 31 H ASP 31 -4.885 10.354 3.953 213 HA ASP 31 HA ASP 31 -5.494 9.123 6.461 214 HB2 ASP 31 HB2 ASP 31 -7.272 10.401 5.505 215 HB3 ASP 31 HB3 ASP 31 -7.218 9.473 4.005 216 H GLN 32 H GLN 32 -5.659 7.106 7.065 217 HA GLN 32 HA GLN 32 -4.690 5.086 5.185 218 HB2 GLN 32 HB2 GLN 32 -4.996 4.887 8.172 219 HB3 GLN 32 HB3 GLN 32 -4.090 3.810 7.128 220 HG2 GLN 32 HG2 GLN 32 -2.532 5.632 6.614 221 HG3 GLN 32 HG3 GLN 32 -3.439 6.696 7.685 222 HE21 GLN 32 HE21 GLN 32 -0.700 5.980 7.855 223 HE22 GLN 32 HE22 GLN 32 -0.469 5.189 9.376 224 H SER 33 H SER 33 -7.664 6.135 5.883 225 HA SER 33 HA SER 33 -8.845 3.616 6.666 226 HB2 SER 33 HB2 SER 33 -10.177 6.222 5.936 227 HB3 SER 33 HB3 SER 33 -10.909 4.857 6.786 228 HG SER 33 HG SER 33 -9.251 6.851 7.661 229 H LYS 34 H LYS 34 -8.486 5.641 3.871 230 HA LYS 34 HA LYS 34 -10.305 4.345 2.121 231 HB2 LYS 34 HB2 LYS 34 -9.336 6.614 1.818 232 HB3 LYS 34 HB3 LYS 34 -7.788 5.872 1.483 233 HG2 LYS 34 HG2 LYS 34 -8.710 4.817 -0.512 234 HG3 LYS 34 HG3 LYS 34 -10.281 5.553 -0.173 235 HD2 LYS 34 HD2 LYS 34 -9.270 7.767 -0.310 236 HD3 LYS 34 HD3 LYS 34 -7.707 7.027 -0.659 237 HE2 LYS 34 HE2 LYS 34 -8.609 6.065 -2.693 238 HE3 LYS 34 HE3 LYS 34 -10.178 6.796 -2.339 239 HZ1 LYS 34 HZ1 LYS 34 -7.669 8.331 -2.705 240 HZ2 LYS 34 HZ2 LYS 34 -9.216 8.966 -2.514 241 HZ3 LYS 34 HZ3 LYS 34 -8.819 8.128 -3.911 242 H ILE 35 H ILE 35 -7.306 3.452 3.340 243 HA ILE 35 HA ILE 35 -6.852 1.467 1.245 244 HB ILE 35 HB ILE 35 -5.021 2.362 3.499 245 HG12 ILE 35 HG12 ILE 35 -5.290 4.143 1.849 246 HG13 ILE 35 HG13 ILE 35 -3.676 3.458 1.742 247 HG21 ILE 35 HG21 ILE 35 -3.274 1.086 2.345 248 HG22 ILE 35 HG22 ILE 35 -4.461 0.536 1.164 249 HG23 ILE 35 HG23 ILE 35 -4.611 0.051 2.852 250 HD11 ILE 35 HD11 ILE 35 -4.389 2.164 -0.233 251 HD12 ILE 35 HD12 ILE 35 -4.558 3.903 -0.462 252 HD13 ILE 35 HD13 ILE 35 -5.982 2.918 -0.129 253 H ALA 36 H ALA 36 -7.924 -0.300 1.700 254 HA ALA 36 HA ALA 36 -8.965 -0.908 4.257 255 HB1 ALA 36 HB1 ALA 36 -9.746 -2.983 3.236 256 HB2 ALA 36 HB2 ALA 36 -8.717 -2.692 1.834 257 HB3 ALA 36 HB3 ALA 36 -10.065 -1.605 2.179 258 H LYS 37 H LYS 37 -6.217 -2.143 2.412 259 HA LYS 37 HA LYS 37 -5.007 -3.140 4.822 260 HB2 LYS 37 HB2 LYS 37 -6.674 -4.881 3.744 261 HB3 LYS 37 HB3 LYS 37 -5.415 -5.057 2.542 262 HG2 LYS 37 HG2 LYS 37 -3.857 -5.818 4.229 263 HG3 LYS 37 HG3 LYS 37 -5.059 -5.535 5.492 264 HD2 LYS 37 HD2 LYS 37 -6.566 -7.138 4.261 265 HD3 LYS 37 HD3 LYS 37 -5.178 -7.545 3.257 266 HE2 LYS 37 HE2 LYS 37 -5.358 -7.848 6.252 267 HE3 LYS 37 HE3 LYS 37 -5.489 -9.146 5.076 268 HZ1 LYS 37 HZ1 LYS 37 -3.085 -7.481 5.617 269 HZ2 LYS 37 HZ2 LYS 37 -3.189 -8.642 4.383 270 HZ3 LYS 37 HZ3 LYS 37 -3.316 -9.103 5.989 271 H ALA 38 H ALA 38 -2.698 -3.651 4.290 272 HA ALA 38 HA ALA 38 -1.846 -3.248 1.573 273 HB1 ALA 38 HB1 ALA 38 -0.941 -1.367 3.748 274 HB2 ALA 38 HB2 ALA 38 -2.004 -0.949 2.404 275 HB3 ALA 38 HB3 ALA 38 -0.332 -1.413 2.093 276 H GLU 39 H GLU 39 -0.322 -4.662 1.242 277 HA GLU 39 HA GLU 39 1.360 -5.491 3.525 278 HB2 GLU 39 HB2 GLU 39 0.031 -7.331 1.531 279 HB3 GLU 39 HB3 GLU 39 1.304 -7.836 2.631 280 HG2 GLU 39 HG2 GLU 39 -0.099 -7.264 4.529 281 HG3 GLU 39 HG3 GLU 39 -1.377 -6.741 3.433 282 H ASN 40 H ASN 40 3.302 -6.804 2.708 283 HA ASN 40 HA ASN 40 4.575 -5.186 0.734 284 HB2 ASN 40 HB2 ASN 40 5.992 -6.027 2.487 285 HB3 ASN 40 HB3 ASN 40 5.529 -7.689 2.137 286 HD21 ASN 40 HD21 ASN 40 7.275 -4.927 0.907 287 HD22 ASN 40 HD22 ASN 40 8.287 -5.793 -0.178 288 H PHE 41 H PHE 41 4.645 -5.420 -1.336 289 HA PHE 41 HA PHE 41 3.316 -7.721 -2.525 290 HB2 PHE 41 HB2 PHE 41 2.606 -5.438 -3.191 291 HB3 PHE 41 HB3 PHE 41 4.240 -5.103 -3.707 292 HD1 PHE 41 HD1 PHE 41 4.986 -5.645 -5.846 293 HD2 PHE 41 HD2 PHE 41 1.311 -7.262 -4.431 294 HE1 PHE 41 HE1 PHE 41 4.511 -6.481 -8.075 295 HE2 PHE 41 HE2 PHE 41 0.819 -8.107 -6.679 296 HZ PHE 41 HZ PHE 41 2.416 -7.724 -8.514 297 H LYS 42 H LYS 42 6.341 -5.912 -2.609 298 HA LYS 42 HA LYS 42 7.841 -8.140 -3.575 299 HB2 LYS 42 HB2 LYS 42 6.724 -7.231 -5.643 300 HB3 LYS 42 HB3 LYS 42 7.442 -5.673 -5.318 301 HG2 LYS 42 HG2 LYS 42 9.680 -6.717 -5.604 302 HG3 LYS 42 HG3 LYS 42 8.862 -8.209 -6.081 303 HD2 LYS 42 HD2 LYS 42 7.734 -6.985 -7.894 304 HD3 LYS 42 HD3 LYS 42 8.601 -5.522 -7.430 305 HE2 LYS 42 HE2 LYS 42 10.732 -6.723 -7.863 306 HE3 LYS 42 HE3 LYS 42 9.794 -8.091 -8.449 307 HZ1 LYS 42 HZ1 LYS 42 10.485 -6.750 -10.307 308 HZ2 LYS 42 HZ2 LYS 42 9.861 -5.367 -9.620 309 HZ3 LYS 42 HZ3 LYS 42 8.815 -6.567 -10.137 310 H ASP 43 H ASP 43 10.160 -7.251 -3.818 311 HA ASP 43 HA ASP 43 11.066 -5.819 -1.637 312 HB2 ASP 43 HB2 ASP 43 12.304 -6.013 -4.392 313 HB3 ASP 43 HB3 ASP 43 13.145 -5.502 -2.934 314 H TYR 44 H TYR 44 10.621 -3.797 -1.124 315 HA TYR 44 HA TYR 44 10.418 -1.555 -1.169 316 HB2 TYR 44 HB2 TYR 44 11.618 -1.793 -3.932 317 HB3 TYR 44 HB3 TYR 44 11.205 -0.257 -3.190 318 HD1 TYR 44 HD1 TYR 44 13.471 -3.131 -3.078 319 HD2 TYR 44 HD2 TYR 44 12.528 0.661 -1.439 320 HE1 TYR 44 HE1 TYR 44 15.676 -3.061 -2.020 321 HE2 TYR 44 HE2 TYR 44 14.721 0.767 -0.365 322 HH TYR 44 HH TYR 44 17.232 -1.406 -1.181 323 H TYR 45 H TYR 45 8.320 -3.449 -2.308 324 HA TYR 45 HA TYR 45 6.603 -1.287 -3.273 325 HB2 TYR 45 HB2 TYR 45 6.815 -4.017 -4.555 326 HB3 TYR 45 HB3 TYR 45 5.509 -2.895 -4.865 327 HD1 TYR 45 HD1 TYR 45 8.746 -3.944 -5.885 328 HD2 TYR 45 HD2 TYR 45 6.179 -0.575 -5.747 329 HE1 TYR 45 HE1 TYR 45 10.049 -2.894 -7.675 330 HE2 TYR 45 HE2 TYR 45 7.465 0.501 -7.530 331 HH TYR 45 HH TYR 45 9.818 0.337 -8.454 332 H CYS 46 H CYS 46 4.649 -1.290 -2.551 333 HA CYS 46 HA CYS 46 3.853 -3.522 -0.811 334 HB2 CYS 46 HB2 CYS 46 3.282 -0.577 -0.430 335 HB3 CYS 46 HB3 CYS 46 2.514 -1.863 0.494 336 H ASN 47 H ASN 47 1.797 -4.242 -0.915 337 HA ASN 47 HA ASN 47 0.330 -3.531 -3.330 338 HB2 ASN 47 HB2 ASN 47 0.801 -5.960 -2.762 339 HB3 ASN 47 HB3 ASN 47 -0.188 -5.737 -1.325 340 HD21 ASN 47 HD21 ASN 47 -1.689 -7.216 -1.943 341 HD22 ASN 47 HD22 ASN 47 -2.800 -6.961 -3.233 342 H CYS 48 H CYS 48 -0.949 -1.893 -2.973 343 HA CYS 48 HA CYS 48 -2.167 -1.466 -0.379 344 HB2 CYS 48 HB2 CYS 48 -2.336 0.231 -2.884 345 HB3 CYS 48 HB3 CYS 48 -2.770 0.667 -1.230 346 H HIS 49 H HIS 49 -4.298 -1.698 -0.023 347 HA HIS 49 HA HIS 49 -5.898 -2.695 -2.245 348 HB2 HIS 49 HB2 HIS 49 -6.214 -3.095 0.750 349 HB3 HIS 49 HB3 HIS 49 -7.359 -3.665 -0.458 350 HD1 HIS 49 HD3 HIS 49 -7.067 -6.031 -0.974 351 HD2 HIS 49 HD2 HIS 49 -3.489 -4.289 0.166 352 HE1 HIS 49 HE1 HIS 49 -5.347 -7.908 -0.952 353 H ILE 50 H ILE 50 -6.614 -0.907 -3.032 354 HA ILE 50 HA ILE 50 -7.381 1.292 -1.300 355 HB ILE 50 HB ILE 50 -7.559 1.262 -4.316 356 HG12 ILE 50 HG12 ILE 50 -5.116 2.005 -2.681 357 HG13 ILE 50 HG13 ILE 50 -5.273 0.504 -3.584 358 HG21 ILE 50 HG21 ILE 50 -8.581 3.126 -3.081 359 HG22 ILE 50 HG22 ILE 50 -7.152 3.680 -3.979 360 HG23 ILE 50 HG23 ILE 50 -7.047 3.372 -2.240 361 HD11 ILE 50 HD11 ILE 50 -5.301 3.278 -4.742 362 HD12 ILE 50 HD12 ILE 50 -5.460 1.779 -5.656 363 HD13 ILE 50 HD13 ILE 50 -3.959 2.136 -4.800 364 H ILE 51 H ILE 51 -9.438 1.787 -0.896 365 HA ILE 51 HA ILE 51 -11.503 0.026 -1.770 366 HB ILE 51 HB ILE 51 -11.627 2.593 -0.157 367 HG12 ILE 51 HG12 ILE 51 -11.748 -0.303 0.725 368 HG13 ILE 51 HG13 ILE 51 -10.349 0.747 0.888 369 HG21 ILE 51 HG21 ILE 51 -13.883 1.858 0.500 370 HG22 ILE 51 HG22 ILE 51 -13.762 0.503 -0.622 371 HG23 ILE 51 HG23 ILE 51 -13.770 2.156 -1.234 372 HD11 ILE 51 HD11 ILE 51 -11.549 0.518 2.982 373 HD12 ILE 51 HD12 ILE 51 -13.015 1.143 2.224 374 HD13 ILE 51 HD13 ILE 51 -11.602 2.181 2.401 375 H ILE 52 H ILE 52 -12.504 0.197 -3.586 376 HA ILE 52 HA ILE 52 -12.270 2.393 -5.436 377 HB ILE 52 HB ILE 52 -14.363 0.207 -5.486 378 HG12 ILE 52 HG12 ILE 52 -11.582 0.110 -6.673 379 HG13 ILE 52 HG13 ILE 52 -12.123 -0.799 -5.271 380 HG21 ILE 52 HG21 ILE 52 -14.312 0.565 -7.921 381 HG22 ILE 52 HG22 ILE 52 -13.145 1.867 -7.691 382 HG23 ILE 52 HG23 ILE 52 -14.775 2.020 -7.036 383 HD11 ILE 52 HD11 ILE 52 -12.077 -2.192 -7.256 384 HD12 ILE 52 HD12 ILE 52 -13.179 -1.085 -8.074 385 HD13 ILE 52 HD13 ILE 52 -13.730 -2.001 -6.670 386 H HIS 53 H HIS 53 -14.867 0.965 -3.551 387 HA HIS 53 HA HIS 53 -16.289 3.358 -3.124 388 HB2 HIS 53 HB2 HIS 53 -17.009 2.716 -5.445 389 HB3 HIS 53 HB3 HIS 53 -17.380 1.104 -4.862 390 HD1 HIS 53 HD3 HIS 53 -18.817 4.482 -5.226 391 HD2 HIS 53 HD2 HIS 53 -19.661 0.986 -3.162 392 HE1 HIS 53 HE1 HIS 53 -21.219 4.670 -4.528 Start of MODEL 11 1 H1 GLU 1 1HT GLU 1 -15.851 -4.587 -2.709 2 H2 GLU 1 2HT GLU 1 -15.503 -2.958 -2.852 3 H3 GLU 1 3HT GLU 1 -14.694 -3.896 -1.698 4 HA GLU 1 HA GLU 1 -13.677 -5.209 -3.410 5 HB2 GLU 1 HB2 GLU 1 -14.944 -3.146 -5.214 6 HB3 GLU 1 HB3 GLU 1 -13.734 -4.312 -5.729 7 HG2 GLU 1 HG2 GLU 1 -15.239 -6.133 -5.158 8 HG3 GLU 1 HG3 GLU 1 -16.444 -4.961 -4.631 9 H GLU 2 H GLU 2 -11.600 -4.664 -4.009 10 HA GLU 2 HA GLU 2 -10.662 -2.020 -3.051 11 HB2 GLU 2 HB2 GLU 2 -9.338 -4.710 -2.765 12 HB3 GLU 2 HB3 GLU 2 -8.736 -3.178 -2.150 13 HG2 GLU 2 HG2 GLU 2 -10.350 -3.081 -0.479 14 HG3 GLU 2 HG3 GLU 2 -11.390 -4.258 -1.286 15 H THR 3 H THR 3 -9.136 -1.037 -4.317 16 HA THR 3 HA THR 3 -8.265 -2.257 -6.798 17 HB THR 3 HB THR 3 -7.450 0.403 -5.597 18 HG1 THR 3 HG1 THR 3 -9.530 0.103 -7.484 19 HG21 THR 3 HG21 THR 3 -7.102 1.032 -7.944 20 HG22 THR 3 HG22 THR 3 -7.608 -0.582 -8.446 21 HG23 THR 3 HG23 THR 3 -6.137 -0.377 -7.505 22 H GLU 4 H GLU 4 -6.505 -3.564 -6.608 23 HA GLU 4 HA GLU 4 -4.706 -3.213 -4.362 24 HB2 GLU 4 HB2 GLU 4 -4.815 -5.349 -6.488 25 HB3 GLU 4 HB3 GLU 4 -3.679 -5.333 -5.147 26 HG2 GLU 4 HG2 GLU 4 -5.525 -5.468 -3.567 27 HG3 GLU 4 HG3 GLU 4 -6.674 -5.455 -4.903 28 H GLU 5 H GLU 5 -3.554 -1.506 -4.731 29 HA GLU 5 HA GLU 5 -2.182 -1.098 -7.287 30 HB2 GLU 5 HB2 GLU 5 -2.660 0.684 -4.922 31 HB3 GLU 5 HB3 GLU 5 -1.621 1.136 -6.257 32 HG2 GLU 5 HG2 GLU 5 -4.549 0.472 -6.463 33 HG3 GLU 5 HG3 GLU 5 -3.867 2.098 -6.420 34 HA PRO 6 HA PRO 6 1.551 -2.332 -5.039 35 HB2 PRO 6 HB2 PRO 6 2.886 -2.405 -7.584 36 HB3 PRO 6 HB3 PRO 6 2.478 -3.761 -6.535 37 HG2 PRO 6 HG2 PRO 6 1.313 -3.329 -8.994 38 HG3 PRO 6 HG3 PRO 6 0.546 -4.229 -7.677 39 HD2 PRO 6 HD2 PRO 6 0.101 -1.405 -8.552 40 HD3 PRO 6 HD3 PRO 6 -1.063 -2.618 -7.967 41 H ILE 7 H ILE 7 2.313 -0.579 -4.147 42 HA ILE 7 HA ILE 7 3.181 1.730 -5.781 43 HB ILE 7 HB ILE 7 2.958 3.119 -3.788 44 HG12 ILE 7 HG12 ILE 7 2.225 0.683 -2.189 45 HG13 ILE 7 HG13 ILE 7 3.906 1.199 -2.305 46 HG21 ILE 7 HG21 ILE 7 0.678 1.228 -4.023 47 HG22 ILE 7 HG22 ILE 7 0.918 2.756 -4.891 48 HG23 ILE 7 HG23 ILE 7 0.704 2.740 -3.128 49 HD11 ILE 7 HD11 ILE 7 3.294 3.347 -1.414 50 HD12 ILE 7 HD12 ILE 7 2.866 2.030 -0.308 51 HD13 ILE 7 HD13 ILE 7 1.612 2.825 -1.285 52 H ARG 8 H ARG 8 5.131 2.837 -4.924 53 HA ARG 8 HA ARG 8 7.208 0.877 -4.335 54 HB2 ARG 8 HB2 ARG 8 7.464 3.860 -4.758 55 HB3 ARG 8 HB3 ARG 8 8.761 2.679 -4.672 56 HG2 ARG 8 HG2 ARG 8 8.026 1.654 -6.698 57 HG3 ARG 8 HG3 ARG 8 6.689 2.813 -6.833 58 HD2 ARG 8 HD2 ARG 8 8.573 3.497 -8.208 59 HD3 ARG 8 HD3 ARG 8 8.319 4.631 -6.877 60 HE ARG 8 HE ARG 8 10.289 2.486 -6.624 61 HH11 ARG 8 HH11 ARG 8 9.602 5.960 -6.762 62 HH12 ARG 8 HH12 ARG 8 11.153 6.435 -6.254 63 HH21 ARG 8 HH21 ARG 8 12.435 3.133 -5.982 64 HH22 ARG 8 HH22 ARG 8 12.817 4.777 -5.806 65 H HIS 9 H HIS 9 8.482 0.965 -2.483 66 HA HIS 9 HA HIS 9 7.846 2.941 -0.454 67 HB2 HIS 9 HB2 HIS 9 6.431 0.888 -0.027 68 HB3 HIS 9 HB3 HIS 9 7.918 -0.044 0.114 69 HD1 HIS 9 HD3 HIS 9 8.942 -0.120 2.422 70 HD2 HIS 9 HD2 HIS 9 6.158 2.912 1.990 71 HE1 HIS 9 HE1 HIS 9 8.747 0.978 4.685 72 H ALA 10 H ALA 10 9.597 3.093 1.118 73 HA ALA 10 HA ALA 10 12.146 2.783 -0.169 74 HB1 ALA 10 HB1 ALA 10 11.584 4.812 1.033 75 HB2 ALA 10 HB2 ALA 10 13.015 4.025 1.718 76 HB3 ALA 10 HB3 ALA 10 11.459 3.888 2.532 77 H LYS 11 H LYS 11 10.525 0.487 1.372 78 HA LYS 11 HA LYS 11 12.958 -0.614 2.541 79 HB2 LYS 11 HB2 LYS 11 10.179 -0.784 3.723 80 HB3 LYS 11 HB3 LYS 11 11.513 -1.801 4.235 81 HG2 LYS 11 HG2 LYS 11 11.462 1.209 4.406 82 HG3 LYS 11 HG3 LYS 11 11.130 0.112 5.746 83 HD2 LYS 11 HD2 LYS 11 13.396 -0.816 5.528 84 HD3 LYS 11 HD3 LYS 11 13.718 0.297 4.201 85 HE2 LYS 11 HE2 LYS 11 13.340 2.188 5.723 86 HE3 LYS 11 HE3 LYS 11 13.072 1.050 7.044 87 HZ1 LYS 11 HZ1 LYS 11 15.361 0.263 6.765 88 HZ2 LYS 11 HZ2 LYS 11 15.344 1.934 7.018 89 HZ3 LYS 11 HZ3 LYS 11 15.575 1.334 5.487 90 H LYS 12 H LYS 12 13.425 -2.558 2.015 91 HA LYS 12 HA LYS 12 12.525 -3.844 -0.249 92 HB2 LYS 12 HB2 LYS 12 14.678 -4.277 0.719 93 HB3 LYS 12 HB3 LYS 12 13.961 -4.859 2.203 94 HG2 LYS 12 HG2 LYS 12 13.061 -6.794 0.953 95 HG3 LYS 12 HG3 LYS 12 13.935 -6.222 -0.477 96 HD2 LYS 12 HD2 LYS 12 16.031 -6.376 0.682 97 HD3 LYS 12 HD3 LYS 12 15.223 -6.808 2.186 98 HE2 LYS 12 HE2 LYS 12 16.176 -8.780 1.158 99 HE3 LYS 12 HE3 LYS 12 14.419 -8.878 1.123 100 HZ1 LYS 12 HZ1 LYS 12 15.460 -9.562 -0.961 101 HZ2 LYS 12 HZ2 LYS 12 16.093 -8.008 -1.168 102 HZ3 LYS 12 HZ3 LYS 12 14.427 -8.261 -1.177 103 H ASN 13 H ASN 13 11.860 -4.626 3.108 104 HA ASN 13 HA ASN 13 9.377 -5.940 2.313 105 HB2 ASN 13 HB2 ASN 13 11.446 -7.168 4.181 106 HB3 ASN 13 HB3 ASN 13 9.794 -7.729 4.061 107 HD21 ASN 13 HD21 ASN 13 9.621 -7.431 1.174 108 HD22 ASN 13 HD22 ASN 13 10.596 -8.683 0.508 109 HA PRO 14 HA PRO 14 8.544 -3.227 5.815 110 HB2 PRO 14 HB2 PRO 14 6.431 -1.986 4.490 111 HB3 PRO 14 HB3 PRO 14 8.088 -1.390 4.556 112 HG2 PRO 14 HG2 PRO 14 6.709 -2.323 2.258 113 HG3 PRO 14 HG3 PRO 14 8.421 -1.906 2.375 114 HD2 PRO 14 HD2 PRO 14 7.106 -4.565 2.477 115 HD3 PRO 14 HD3 PRO 14 8.724 -4.103 1.891 116 H SER 15 H SER 15 6.488 -2.900 7.024 117 HA SER 15 HA SER 15 4.722 -5.178 6.622 118 HB2 SER 15 HB2 SER 15 6.070 -5.087 8.757 119 HB3 SER 15 HB3 SER 15 5.209 -3.609 9.172 120 HG SER 15 HG SER 15 4.168 -6.195 8.764 121 H GLU 16 H GLU 16 2.527 -4.435 7.900 122 HA GLU 16 HA GLU 16 1.365 -2.748 5.998 123 HB2 GLU 16 HB2 GLU 16 0.205 -3.831 8.515 124 HB3 GLU 16 HB3 GLU 16 -0.696 -2.826 7.392 125 HG2 GLU 16 HG2 GLU 16 0.035 -4.532 5.627 126 HG3 GLU 16 HG3 GLU 16 0.386 -5.562 7.020 127 H GLY 17 H GLY 17 2.644 -1.908 9.098 128 HA2 GLY 17 HA2 GLY 17 1.182 0.489 9.408 129 HA3 GLY 17 HA3 GLY 17 2.775 0.170 10.097 130 H GLU 18 H GLU 18 4.400 -0.092 8.149 131 HA GLU 18 HA GLU 18 4.854 2.476 7.136 132 HB2 GLU 18 HB2 GLU 18 6.027 -0.085 6.069 133 HB3 GLU 18 HB3 GLU 18 6.700 1.522 5.903 134 HG2 GLU 18 HG2 GLU 18 8.011 0.625 7.555 135 HG3 GLU 18 HG3 GLU 18 6.776 1.447 8.501 136 H CYS 19 H CYS 19 3.732 -0.510 5.536 137 HA CYS 19 HA CYS 19 3.499 0.674 3.030 138 HB2 CYS 19 HB2 CYS 19 2.076 -1.773 4.101 139 HB3 CYS 19 HB3 CYS 19 1.954 -1.209 2.449 140 H LYS 20 H LYS 20 0.882 0.230 5.520 141 HA LYS 20 HA LYS 20 -1.070 1.395 3.894 142 HB2 LYS 20 HB2 LYS 20 -0.904 1.295 6.900 143 HB3 LYS 20 HB3 LYS 20 -2.220 2.079 6.065 144 HG2 LYS 20 HG2 LYS 20 -2.680 -0.185 4.985 145 HG3 LYS 20 HG3 LYS 20 -1.562 -0.851 6.192 146 HD2 LYS 20 HD2 LYS 20 -2.880 0.187 7.985 147 HD3 LYS 20 HD3 LYS 20 -3.974 0.852 6.791 148 HE2 LYS 20 HE2 LYS 20 -5.025 -1.048 7.779 149 HE3 LYS 20 HE3 LYS 20 -4.575 -1.473 6.133 150 HZ1 LYS 20 HZ1 LYS 20 -2.828 -2.864 6.931 151 HZ2 LYS 20 HZ2 LYS 20 -4.125 -3.164 7.925 152 HZ3 LYS 20 HZ3 LYS 20 -2.893 -2.167 8.468 153 H LYS 21 H LYS 21 1.246 2.847 6.139 154 HA LYS 21 HA LYS 21 0.261 5.455 6.075 155 HB2 LYS 21 HB2 LYS 21 1.947 4.802 7.675 156 HB3 LYS 21 HB3 LYS 21 3.088 4.430 6.395 157 HG2 LYS 21 HG2 LYS 21 3.665 6.525 7.476 158 HG3 LYS 21 HG3 LYS 21 3.190 6.808 5.801 159 HD2 LYS 21 HD2 LYS 21 0.969 7.498 6.572 160 HD3 LYS 21 HD3 LYS 21 1.471 7.234 8.245 161 HE2 LYS 21 HE2 LYS 21 3.263 8.906 7.917 162 HE3 LYS 21 HE3 LYS 21 2.668 9.180 6.286 163 HZ1 LYS 21 HZ1 LYS 21 1.100 9.691 8.769 164 HZ2 LYS 21 HZ2 LYS 21 0.592 10.001 7.188 165 HZ3 LYS 21 HZ3 LYS 21 1.855 10.860 7.829 166 H ALA 22 H ALA 22 2.702 3.903 4.016 167 HA ALA 22 HA ALA 22 3.137 6.128 2.354 168 HB1 ALA 22 HB1 ALA 22 4.208 4.540 0.832 169 HB2 ALA 22 HB2 ALA 22 3.506 3.198 1.738 170 HB3 ALA 22 HB3 ALA 22 4.689 4.257 2.507 171 H CYS 23 H CYS 23 1.026 3.300 2.003 172 HA CYS 23 HA CYS 23 -0.139 3.829 -0.471 173 HB2 CYS 23 HB2 CYS 23 -1.470 2.660 1.983 174 HB3 CYS 23 HB3 CYS 23 -2.096 2.566 0.347 175 H ALA 24 H ALA 24 -1.054 4.965 2.729 176 HA ALA 24 HA ALA 24 -3.357 6.359 1.931 177 HB1 ALA 24 HB1 ALA 24 -3.219 7.391 4.127 178 HB2 ALA 24 HB2 ALA 24 -1.584 6.757 4.326 179 HB3 ALA 24 HB3 ALA 24 -2.955 5.650 4.208 180 H ASP 25 H ASP 25 -0.110 7.473 2.797 181 HA ASP 25 HA ASP 25 -0.558 10.192 2.400 182 HB2 ASP 25 HB2 ASP 25 1.352 9.184 3.635 183 HB3 ASP 25 HB3 ASP 25 2.065 8.736 2.092 184 H ALA 26 H ALA 26 0.497 7.742 0.109 185 HA ALA 26 HA ALA 26 1.049 9.635 -1.956 186 HB1 ALA 26 HB1 ALA 26 2.178 7.463 -1.830 187 HB2 ALA 26 HB2 ALA 26 1.394 7.725 -3.389 188 HB3 ALA 26 HB3 ALA 26 0.650 6.662 -2.192 189 H PHE 27 H PHE 27 -1.867 8.038 -0.910 190 HA PHE 27 HA PHE 27 -3.068 8.687 -3.515 191 HB2 PHE 27 HB2 PHE 27 -3.708 6.477 -1.607 192 HB3 PHE 27 HB3 PHE 27 -4.849 6.987 -2.845 193 HD1 PHE 27 HD1 PHE 27 -4.075 6.991 -5.225 194 HD2 PHE 27 HD2 PHE 27 -1.922 4.958 -2.156 195 HE1 PHE 27 HE1 PHE 27 -2.983 5.612 -6.899 196 HE2 PHE 27 HE2 PHE 27 -0.861 3.576 -3.822 197 HZ PHE 27 HZ PHE 27 -1.360 3.883 -6.214 198 H ALA 28 H ALA 28 -3.761 8.722 -0.063 199 HA ALA 28 HA ALA 28 -5.941 10.633 -0.582 200 HB1 ALA 28 HB1 ALA 28 -6.684 8.459 0.340 201 HB2 ALA 28 HB2 ALA 28 -7.025 9.814 1.409 202 HB3 ALA 28 HB3 ALA 28 -5.665 8.737 1.756 203 H ASN 29 H ASN 29 -2.947 10.666 0.036 204 HA ASN 29 HA ASN 29 -1.436 12.026 0.936 205 HB2 ASN 29 HB2 ASN 29 -3.799 13.871 1.293 206 HB3 ASN 29 HB3 ASN 29 -2.125 14.357 1.525 207 HD21 ASN 29 HD21 ASN 29 -4.044 15.358 -0.378 208 HD22 ASN 29 HD22 ASN 29 -3.377 15.067 -1.943 209 H GLY 30 H GLY 30 -2.963 10.208 2.734 210 HA2 GLY 30 HA2 GLY 30 -1.585 10.066 4.924 211 HA3 GLY 30 HA3 GLY 30 -2.439 11.557 5.297 212 H ASP 31 H ASP 31 -4.866 10.551 3.917 213 HA ASP 31 HA ASP 31 -6.000 9.299 6.194 214 HB2 ASP 31 HB2 ASP 31 -7.424 10.704 4.868 215 HB3 ASP 31 HB3 ASP 31 -7.176 9.681 3.448 216 H GLN 32 H GLN 32 -5.932 7.279 6.782 217 HA GLN 32 HA GLN 32 -5.177 5.243 4.850 218 HB2 GLN 32 HB2 GLN 32 -5.475 5.040 7.847 219 HB3 GLN 32 HB3 GLN 32 -4.768 3.834 6.786 220 HG2 GLN 32 HG2 GLN 32 -2.965 5.398 6.229 221 HG3 GLN 32 HG3 GLN 32 -3.665 6.584 7.331 222 HE21 GLN 32 HE21 GLN 32 -1.911 3.689 7.017 223 HE22 GLN 32 HE22 GLN 32 -1.461 3.491 8.677 224 H SER 33 H SER 33 -8.056 6.533 5.639 225 HA SER 33 HA SER 33 -9.538 4.263 6.510 226 HB2 SER 33 HB2 SER 33 -10.572 6.767 5.181 227 HB3 SER 33 HB3 SER 33 -11.467 5.667 6.232 228 HG SER 33 HG SER 33 -9.643 7.641 6.805 229 H LYS 34 H LYS 34 -8.768 5.722 3.440 230 HA LYS 34 HA LYS 34 -10.521 4.049 1.908 231 HB2 LYS 34 HB2 LYS 34 -8.136 5.669 1.007 232 HB3 LYS 34 HB3 LYS 34 -9.329 4.933 -0.054 233 HG2 LYS 34 HG2 LYS 34 -11.068 6.338 0.946 234 HG3 LYS 34 HG3 LYS 34 -9.851 7.093 1.974 235 HD2 LYS 34 HD2 LYS 34 -8.668 7.859 -0.050 236 HD3 LYS 34 HD3 LYS 34 -9.949 7.157 -1.038 237 HE2 LYS 34 HE2 LYS 34 -11.583 8.622 0.047 238 HE3 LYS 34 HE3 LYS 34 -10.296 9.328 1.022 239 HZ1 LYS 34 HZ1 LYS 34 -10.522 9.478 -1.938 240 HZ2 LYS 34 HZ2 LYS 34 -9.245 10.083 -1.023 241 HZ3 LYS 34 HZ3 LYS 34 -10.753 10.741 -0.838 242 H ILE 35 H ILE 35 -7.591 3.518 3.427 243 HA ILE 35 HA ILE 35 -6.793 1.395 1.588 244 HB ILE 35 HB ILE 35 -5.370 2.402 4.076 245 HG12 ILE 35 HG12 ILE 35 -5.444 4.200 2.434 246 HG13 ILE 35 HG13 ILE 35 -3.812 3.556 2.524 247 HG21 ILE 35 HG21 ILE 35 -3.409 1.220 3.177 248 HG22 ILE 35 HG22 ILE 35 -4.391 0.625 1.841 249 HG23 ILE 35 HG23 ILE 35 -4.754 0.120 3.490 250 HD11 ILE 35 HD11 ILE 35 -4.416 4.018 0.230 251 HD12 ILE 35 HD12 ILE 35 -5.848 3.002 0.374 252 HD13 ILE 35 HD13 ILE 35 -4.245 2.275 0.456 253 H ALA 36 H ALA 36 -7.745 -0.463 1.957 254 HA ALA 36 HA ALA 36 -8.964 -1.049 4.498 255 HB1 ALA 36 HB1 ALA 36 -8.776 -2.750 2.017 256 HB2 ALA 36 HB2 ALA 36 -10.093 -1.644 2.412 257 HB3 ALA 36 HB3 ALA 36 -9.801 -3.065 3.416 258 H LYS 37 H LYS 37 -6.231 -2.269 2.614 259 HA LYS 37 HA LYS 37 -4.986 -3.283 4.989 260 HB2 LYS 37 HB2 LYS 37 -6.653 -5.098 4.130 261 HB3 LYS 37 HB3 LYS 37 -5.546 -5.274 2.778 262 HG2 LYS 37 HG2 LYS 37 -3.750 -5.886 4.325 263 HG3 LYS 37 HG3 LYS 37 -4.848 -5.687 5.685 264 HD2 LYS 37 HD2 LYS 37 -4.988 -7.967 5.400 265 HD3 LYS 37 HD3 LYS 37 -6.282 -7.444 4.337 266 HE2 LYS 37 HE2 LYS 37 -3.467 -8.082 3.441 267 HE3 LYS 37 HE3 LYS 37 -4.812 -9.202 3.371 268 HZ1 LYS 37 HZ1 LYS 37 -4.675 -6.625 1.876 269 HZ2 LYS 37 HZ2 LYS 37 -5.890 -7.788 1.762 270 HZ3 LYS 37 HZ3 LYS 37 -4.336 -8.139 1.258 271 H ALA 38 H ALA 38 -2.792 -4.206 4.329 272 HA ALA 38 HA ALA 38 -1.951 -3.427 1.665 273 HB1 ALA 38 HB1 ALA 38 -0.551 -2.624 4.222 274 HB2 ALA 38 HB2 ALA 38 -1.389 -1.544 3.102 275 HB3 ALA 38 HB3 ALA 38 0.071 -2.389 2.586 276 H GLU 39 H GLU 39 -0.106 -4.584 1.011 277 HA GLU 39 HA GLU 39 0.827 -6.766 2.714 278 HB2 GLU 39 HB2 GLU 39 -0.426 -7.131 -0.015 279 HB3 GLU 39 HB3 GLU 39 0.587 -8.348 0.743 280 HG2 GLU 39 HG2 GLU 39 -0.998 -8.565 2.562 281 HG3 GLU 39 HG3 GLU 39 -1.982 -7.275 1.880 282 H ASN 40 H ASN 40 2.811 -7.675 1.926 283 HA ASN 40 HA ASN 40 4.446 -5.721 0.570 284 HB2 ASN 40 HB2 ASN 40 5.433 -7.086 2.373 285 HB3 ASN 40 HB3 ASN 40 5.098 -8.549 1.458 286 HD21 ASN 40 HD21 ASN 40 6.419 -5.469 0.164 287 HD22 ASN 40 HD22 ASN 40 7.900 -6.152 -0.332 288 H PHE 41 H PHE 41 4.391 -5.541 -1.560 289 HA PHE 41 HA PHE 41 3.256 -7.673 -3.144 290 HB2 PHE 41 HB2 PHE 41 2.625 -5.327 -3.611 291 HB3 PHE 41 HB3 PHE 41 4.300 -4.961 -3.972 292 HD1 PHE 41 HD1 PHE 41 5.220 -5.353 -6.093 293 HD2 PHE 41 HD2 PHE 41 1.398 -6.970 -5.117 294 HE1 PHE 41 HE1 PHE 41 4.924 -6.013 -8.410 295 HE2 PHE 41 HE2 PHE 41 1.085 -7.631 -7.454 296 HZ PHE 41 HZ PHE 41 2.843 -7.158 -9.115 297 H LYS 42 H LYS 42 6.329 -5.947 -2.910 298 HA LYS 42 HA LYS 42 7.810 -8.139 -3.965 299 HB2 LYS 42 HB2 LYS 42 6.734 -7.070 -5.992 300 HB3 LYS 42 HB3 LYS 42 7.528 -5.572 -5.588 301 HG2 LYS 42 HG2 LYS 42 8.662 -6.655 -7.391 302 HG3 LYS 42 HG3 LYS 42 9.692 -6.651 -5.968 303 HD2 LYS 42 HD2 LYS 42 9.235 -8.955 -5.541 304 HD3 LYS 42 HD3 LYS 42 7.965 -8.987 -6.761 305 HE2 LYS 42 HE2 LYS 42 10.887 -8.485 -7.337 306 HE3 LYS 42 HE3 LYS 42 10.083 -10.041 -7.522 307 HZ1 LYS 42 HZ1 LYS 42 8.642 -9.093 -9.199 308 HZ2 LYS 42 HZ2 LYS 42 10.236 -8.802 -9.635 309 HZ3 LYS 42 HZ3 LYS 42 9.310 -7.564 -8.995 310 H ASP 43 H ASP 43 10.190 -7.175 -4.161 311 HA ASP 43 HA ASP 43 10.859 -5.972 -1.725 312 HB2 ASP 43 HB2 ASP 43 12.486 -6.023 -4.290 313 HB3 ASP 43 HB3 ASP 43 13.115 -5.696 -2.684 314 H TYR 44 H TYR 44 10.530 -3.969 -1.139 315 HA TYR 44 HA TYR 44 10.381 -1.722 -1.094 316 HB2 TYR 44 HB2 TYR 44 11.719 -1.854 -3.816 317 HB3 TYR 44 HB3 TYR 44 11.347 -0.346 -2.987 318 HD1 TYR 44 HD1 TYR 44 12.622 0.361 -1.087 319 HD2 TYR 44 HD2 TYR 44 13.473 -3.334 -2.983 320 HE1 TYR 44 HE1 TYR 44 14.738 0.239 0.141 321 HE2 TYR 44 HE2 TYR 44 15.587 -3.489 -1.768 322 HH TYR 44 HH TYR 44 16.330 -1.513 0.879 323 H TYR 45 H TYR 45 8.318 -3.510 -2.224 324 HA TYR 45 HA TYR 45 6.629 -1.368 -3.271 325 HB2 TYR 45 HB2 TYR 45 6.848 -4.139 -4.436 326 HB3 TYR 45 HB3 TYR 45 5.527 -3.040 -4.785 327 HD1 TYR 45 HD1 TYR 45 8.871 -4.022 -5.682 328 HD2 TYR 45 HD2 TYR 45 6.077 -0.845 -5.867 329 HE1 TYR 45 HE1 TYR 45 10.150 -3.039 -7.515 330 HE2 TYR 45 HE2 TYR 45 7.349 0.168 -7.726 331 HH TYR 45 HH TYR 45 9.885 0.047 -8.500 332 H CYS 46 H CYS 46 4.681 -1.323 -2.536 333 HA CYS 46 HA CYS 46 3.780 -3.480 -0.733 334 HB2 CYS 46 HB2 CYS 46 3.265 -0.502 -0.453 335 HB3 CYS 46 HB3 CYS 46 2.519 -1.748 0.540 336 H ASN 47 H ASN 47 1.742 -4.195 -1.022 337 HA ASN 47 HA ASN 47 0.303 -3.140 -3.334 338 HB2 ASN 47 HB2 ASN 47 0.738 -5.605 -3.275 339 HB3 ASN 47 HB3 ASN 47 -0.142 -5.693 -1.753 340 HD21 ASN 47 HD21 ASN 47 -2.383 -5.696 -1.792 341 HD22 ASN 47 HD22 ASN 47 -3.260 -5.755 -3.259 342 H CYS 48 H CYS 48 -1.028 -1.654 -2.865 343 HA CYS 48 HA CYS 48 -2.156 -1.403 -0.201 344 HB2 CYS 48 HB2 CYS 48 -2.344 0.446 -2.578 345 HB3 CYS 48 HB3 CYS 48 -2.724 0.788 -0.887 346 H HIS 49 H HIS 49 -4.320 -1.612 0.206 347 HA HIS 49 HA HIS 49 -5.957 -2.413 -2.072 348 HB2 HIS 49 HB2 HIS 49 -6.294 -2.984 0.882 349 HB3 HIS 49 HB3 HIS 49 -7.444 -3.452 -0.365 350 HD1 HIS 49 HD3 HIS 49 -7.095 -5.764 -1.289 351 HD2 HIS 49 HD2 HIS 49 -3.672 -4.158 0.427 352 HE1 HIS 49 HE1 HIS 49 -5.355 -7.553 -1.418 353 H ILE 50 H ILE 50 -6.611 -0.551 -2.757 354 HA ILE 50 HA ILE 50 -7.614 1.396 -0.833 355 HB ILE 50 HB ILE 50 -7.499 1.792 -3.828 356 HG12 ILE 50 HG12 ILE 50 -5.248 2.342 -1.870 357 HG13 ILE 50 HG13 ILE 50 -5.259 1.006 -3.015 358 HG21 ILE 50 HG21 ILE 50 -7.244 3.587 -1.434 359 HG22 ILE 50 HG22 ILE 50 -8.708 3.407 -2.411 360 HG23 ILE 50 HG23 ILE 50 -7.251 4.145 -3.109 361 HD11 ILE 50 HD11 ILE 50 -3.911 2.834 -3.833 362 HD12 ILE 50 HD12 ILE 50 -5.285 3.931 -3.698 363 HD13 ILE 50 HD13 ILE 50 -5.326 2.605 -4.858 364 H ILE 51 H ILE 51 -9.666 1.292 -0.390 365 HA ILE 51 HA ILE 51 -11.476 -0.487 -1.569 366 HB ILE 51 HB ILE 51 -12.098 1.980 0.091 367 HG12 ILE 51 HG12 ILE 51 -11.723 -0.905 0.933 368 HG13 ILE 51 HG13 ILE 51 -10.543 0.378 1.171 369 HG21 ILE 51 HG21 ILE 51 -14.209 0.828 0.646 370 HG22 ILE 51 HG22 ILE 51 -13.788 -0.471 -0.471 371 HG23 ILE 51 HG23 ILE 51 -14.087 1.156 -1.083 372 HD11 ILE 51 HD11 ILE 51 -11.772 -0.108 3.211 373 HD12 ILE 51 HD12 ILE 51 -13.292 0.263 2.391 374 HD13 ILE 51 HD13 ILE 51 -12.095 1.533 2.650 375 H ILE 52 H ILE 52 -12.662 -0.382 -3.325 376 HA ILE 52 HA ILE 52 -12.740 2.034 -4.955 377 HB ILE 52 HB ILE 52 -14.159 -0.602 -5.461 378 HG12 ILE 52 HG12 ILE 52 -11.419 0.199 -6.459 379 HG13 ILE 52 HG13 ILE 52 -11.719 -0.981 -5.190 380 HG21 ILE 52 HG21 ILE 52 -14.102 0.106 -7.813 381 HG22 ILE 52 HG22 ILE 52 -13.317 1.609 -7.338 382 HG23 ILE 52 HG23 ILE 52 -14.961 1.263 -6.796 383 HD11 ILE 52 HD11 ILE 52 -12.899 -2.399 -6.796 384 HD12 ILE 52 HD12 ILE 52 -11.245 -2.067 -7.307 385 HD13 ILE 52 HD13 ILE 52 -12.591 -1.213 -8.064 386 H HIS 53 H HIS 53 -14.969 -0.377 -3.731 387 HA HIS 53 HA HIS 53 -16.836 1.394 -2.650 388 HB2 HIS 53 HB2 HIS 53 -17.279 1.523 -5.178 389 HB3 HIS 53 HB3 HIS 53 -17.633 -0.196 -5.123 390 HD1 HIS 53 HD3 HIS 53 -19.410 2.771 -5.374 391 HD2 HIS 53 HD2 HIS 53 -19.743 -0.509 -2.845 392 HE1 HIS 53 HE1 HIS 53 -21.759 2.827 -4.472 Start of MODEL 12 1 H1 GLU 1 1HT GLU 1 -14.702 -3.839 -2.852 2 H2 GLU 1 2HT GLU 1 -16.000 -3.665 -3.892 3 H3 GLU 1 3HT GLU 1 -15.464 -2.329 -2.997 4 HA GLU 1 HA GLU 1 -14.048 -3.777 -5.155 5 HB2 GLU 1 HB2 GLU 1 -15.105 -0.973 -4.960 6 HB3 GLU 1 HB3 GLU 1 -14.030 -1.525 -6.237 7 HG2 GLU 1 HG2 GLU 1 -16.801 -2.511 -5.652 8 HG3 GLU 1 HG3 GLU 1 -16.234 -1.496 -6.999 9 H GLU 2 H GLU 2 -12.030 -3.542 -5.339 10 HA GLU 2 HA GLU 2 -10.502 -1.761 -3.562 11 HB2 GLU 2 HB2 GLU 2 -10.081 -4.733 -3.843 12 HB3 GLU 2 HB3 GLU 2 -8.935 -3.640 -3.103 13 HG2 GLU 2 HG2 GLU 2 -10.316 -3.267 -1.261 14 HG3 GLU 2 HG3 GLU 2 -11.733 -3.942 -2.065 15 H THR 3 H THR 3 -9.068 -0.757 -4.762 16 HA THR 3 HA THR 3 -8.130 -1.918 -7.258 17 HB THR 3 HB THR 3 -7.298 0.639 -5.903 18 HG1 THR 3 HG1 THR 3 -9.542 0.011 -7.489 19 HG21 THR 3 HG21 THR 3 -5.853 -0.130 -7.739 20 HG22 THR 3 HG22 THR 3 -6.675 1.370 -8.154 21 HG23 THR 3 HG23 THR 3 -7.249 -0.158 -8.819 22 H GLU 4 H GLU 4 -6.614 -3.459 -6.816 23 HA GLU 4 HA GLU 4 -4.845 -3.013 -4.576 24 HB2 GLU 4 HB2 GLU 4 -5.239 -5.436 -6.316 25 HB3 GLU 4 HB3 GLU 4 -3.971 -5.317 -5.102 26 HG2 GLU 4 HG2 GLU 4 -5.716 -4.937 -3.385 27 HG3 GLU 4 HG3 GLU 4 -6.942 -5.213 -4.623 28 H GLU 5 H GLU 5 -3.393 -1.692 -4.949 29 HA GLU 5 HA GLU 5 -1.951 -1.782 -7.511 30 HB2 GLU 5 HB2 GLU 5 -3.309 0.246 -7.149 31 HB3 GLU 5 HB3 GLU 5 -2.399 0.573 -5.683 32 HG2 GLU 5 HG2 GLU 5 -1.550 1.963 -7.417 33 HG3 GLU 5 HG3 GLU 5 -0.344 0.726 -7.069 34 HA PRO 6 HA PRO 6 1.614 -2.591 -4.801 35 HB2 PRO 6 HB2 PRO 6 2.997 -2.732 -7.379 36 HB3 PRO 6 HB3 PRO 6 2.897 -3.946 -6.101 37 HG2 PRO 6 HG2 PRO 6 1.615 -4.242 -8.462 38 HG3 PRO 6 HG3 PRO 6 0.958 -4.867 -6.939 39 HD2 PRO 6 HD2 PRO 6 0.189 -2.421 -8.472 40 HD3 PRO 6 HD3 PRO 6 -0.821 -3.564 -7.569 41 H ILE 7 H ILE 7 2.228 -0.740 -3.993 42 HA ILE 7 HA ILE 7 3.036 1.521 -5.696 43 HB ILE 7 HB ILE 7 2.887 2.911 -3.679 44 HG12 ILE 7 HG12 ILE 7 2.118 0.463 -2.144 45 HG13 ILE 7 HG13 ILE 7 3.810 0.969 -2.222 46 HG21 ILE 7 HG21 ILE 7 0.590 1.042 -3.930 47 HG22 ILE 7 HG22 ILE 7 0.861 2.549 -4.823 48 HG23 ILE 7 HG23 ILE 7 0.623 2.573 -3.060 49 HD11 ILE 7 HD11 ILE 7 2.731 1.759 -0.224 50 HD12 ILE 7 HD12 ILE 7 1.502 2.573 -1.214 51 HD13 ILE 7 HD13 ILE 7 3.190 3.094 -1.287 52 H ARG 8 H ARG 8 4.947 2.721 -4.967 53 HA ARG 8 HA ARG 8 7.165 0.904 -4.470 54 HB2 ARG 8 HB2 ARG 8 7.187 3.854 -5.180 55 HB3 ARG 8 HB3 ARG 8 8.554 2.745 -5.181 56 HG2 ARG 8 HG2 ARG 8 7.666 1.514 -6.988 57 HG3 ARG 8 HG3 ARG 8 6.176 2.464 -6.980 58 HD2 ARG 8 HD2 ARG 8 7.478 4.459 -7.548 59 HD3 ARG 8 HD3 ARG 8 8.953 3.490 -7.547 60 HE ARG 8 HE ARG 8 7.238 2.231 -9.250 61 HH11 ARG 8 HH11 ARG 8 8.678 5.464 -9.153 62 HH12 ARG 8 HH12 ARG 8 8.727 5.643 -10.842 63 HH21 ARG 8 HH21 ARG 8 7.295 2.476 -11.545 64 HH22 ARG 8 HH22 ARG 8 7.894 3.916 -12.237 65 H HIS 9 H HIS 9 7.961 0.724 -2.473 66 HA HIS 9 HA HIS 9 7.496 2.923 -0.559 67 HB2 HIS 9 HB2 HIS 9 6.259 0.741 -0.082 68 HB3 HIS 9 HB3 HIS 9 7.830 -0.019 0.123 69 HD1 HIS 9 HD3 HIS 9 9.294 0.985 2.227 70 HD2 HIS 9 HD2 HIS 9 5.265 1.950 2.110 71 HE1 HIS 9 HE1 HIS 9 8.712 1.861 4.523 72 H ALA 10 H ALA 10 9.287 3.537 0.672 73 HA ALA 10 HA ALA 10 11.831 2.699 -0.438 74 HB1 ALA 10 HB1 ALA 10 12.794 4.612 0.723 75 HB2 ALA 10 HB2 ALA 10 11.261 4.913 1.538 76 HB3 ALA 10 HB3 ALA 10 11.383 5.110 -0.212 77 H LYS 11 H LYS 11 11.366 0.582 0.571 78 HA LYS 11 HA LYS 11 13.123 0.088 2.694 79 HB2 LYS 11 HB2 LYS 11 11.088 0.924 3.976 80 HB3 LYS 11 HB3 LYS 11 10.168 -0.376 3.251 81 HG2 LYS 11 HG2 LYS 11 10.765 -0.960 5.499 82 HG3 LYS 11 HG3 LYS 11 11.648 -2.001 4.381 83 HD2 LYS 11 HD2 LYS 11 13.647 -0.692 4.665 84 HD3 LYS 11 HD3 LYS 11 12.778 0.492 5.645 85 HE2 LYS 11 HE2 LYS 11 12.355 -1.214 7.324 86 HE3 LYS 11 HE3 LYS 11 13.213 -2.411 6.371 87 HZ1 LYS 11 HZ1 LYS 11 14.366 0.058 7.529 88 HZ2 LYS 11 HZ2 LYS 11 15.223 -1.057 6.604 89 HZ3 LYS 11 HZ3 LYS 11 14.600 -1.504 8.105 90 H LYS 12 H LYS 12 13.802 -1.963 2.242 91 HA LYS 12 HA LYS 12 12.901 -3.274 -0.047 92 HB2 LYS 12 HB2 LYS 12 15.162 -3.556 0.795 93 HB3 LYS 12 HB3 LYS 12 14.568 -4.301 2.262 94 HG2 LYS 12 HG2 LYS 12 13.784 -6.211 0.990 95 HG3 LYS 12 HG3 LYS 12 14.347 -5.456 -0.504 96 HD2 LYS 12 HD2 LYS 12 16.635 -5.500 0.308 97 HD3 LYS 12 HD3 LYS 12 16.082 -6.141 1.856 98 HE2 LYS 12 HE2 LYS 12 15.323 -8.166 0.791 99 HE3 LYS 12 HE3 LYS 12 15.750 -7.524 -0.791 100 HZ1 LYS 12 HZ1 LYS 12 17.428 -9.065 0.081 101 HZ2 LYS 12 HZ2 LYS 12 17.659 -8.089 1.412 102 HZ3 LYS 12 HZ3 LYS 12 18.079 -7.524 -0.120 103 H ASN 13 H ASN 13 12.405 -4.091 3.344 104 HA ASN 13 HA ASN 13 9.975 -5.502 2.516 105 HB2 ASN 13 HB2 ASN 13 11.840 -7.122 3.138 106 HB3 ASN 13 HB3 ASN 13 11.767 -6.447 4.756 107 HD21 ASN 13 HD21 ASN 13 10.128 -8.351 2.397 108 HD22 ASN 13 HD22 ASN 13 8.951 -9.045 3.450 109 HA PRO 14 HA PRO 14 8.839 -2.499 5.699 110 HB2 PRO 14 HB2 PRO 14 6.505 -1.864 4.225 111 HB3 PRO 14 HB3 PRO 14 7.973 -0.900 4.356 112 HG2 PRO 14 HG2 PRO 14 7.042 -2.154 2.042 113 HG3 PRO 14 HG3 PRO 14 8.675 -1.527 2.289 114 HD2 PRO 14 HD2 PRO 14 7.654 -4.309 2.507 115 HD3 PRO 14 HD3 PRO 14 9.239 -3.718 1.943 116 H SER 15 H SER 15 7.164 -2.504 7.118 117 HA SER 15 HA SER 15 5.703 -4.970 7.435 118 HB2 SER 15 HB2 SER 15 5.559 -2.446 9.068 119 HB3 SER 15 HB3 SER 15 5.247 -4.108 9.585 120 HG SER 15 HG SER 15 7.691 -2.861 8.958 121 H GLU 16 H GLU 16 3.237 -4.672 8.021 122 HA GLU 16 HA GLU 16 2.042 -3.471 5.781 123 HB2 GLU 16 HB2 GLU 16 1.038 -5.411 7.058 124 HB3 GLU 16 HB3 GLU 16 0.542 -4.245 8.285 125 HG2 GLU 16 HG2 GLU 16 -0.722 -3.014 6.579 126 HG3 GLU 16 HG3 GLU 16 -0.266 -4.219 5.391 127 H GLY 17 H GLY 17 2.498 -2.333 9.087 128 HA2 GLY 17 HA2 GLY 17 0.838 -0.072 8.965 129 HA3 GLY 17 HA3 GLY 17 2.264 -0.226 9.986 130 H GLU 18 H GLU 18 4.192 -0.512 8.049 131 HA GLU 18 HA GLU 18 4.734 2.149 7.298 132 HB2 GLU 18 HB2 GLU 18 5.969 -0.407 6.237 133 HB3 GLU 18 HB3 GLU 18 6.665 1.202 6.109 134 HG2 GLU 18 HG2 GLU 18 6.848 1.305 8.556 135 HG3 GLU 18 HG3 GLU 18 6.165 -0.311 8.659 136 H CYS 19 H CYS 19 3.739 -0.706 5.448 137 HA CYS 19 HA CYS 19 3.453 0.513 2.978 138 HB2 CYS 19 HB2 CYS 19 1.967 -1.804 4.180 139 HB3 CYS 19 HB3 CYS 19 1.780 -1.330 2.504 140 H LYS 20 H LYS 20 1.031 0.171 5.604 141 HA LYS 20 HA LYS 20 -1.108 1.291 4.258 142 HB2 LYS 20 HB2 LYS 20 -0.465 1.449 7.209 143 HB3 LYS 20 HB3 LYS 20 -1.974 2.021 6.527 144 HG2 LYS 20 HG2 LYS 20 -2.500 -0.259 5.800 145 HG3 LYS 20 HG3 LYS 20 -0.966 -0.815 6.478 146 HD2 LYS 20 HD2 LYS 20 -1.673 -0.026 8.699 147 HD3 LYS 20 HD3 LYS 20 -3.228 0.467 8.029 148 HE2 LYS 20 HE2 LYS 20 -2.147 -2.348 8.005 149 HE3 LYS 20 HE3 LYS 20 -3.269 -1.736 9.202 150 HZ1 LYS 20 HZ1 LYS 20 -4.003 -1.541 6.358 151 HZ2 LYS 20 HZ2 LYS 20 -4.999 -1.792 7.721 152 HZ3 LYS 20 HZ3 LYS 20 -4.015 -3.022 7.144 153 H LYS 21 H LYS 21 1.404 2.844 6.181 154 HA LYS 21 HA LYS 21 0.500 5.475 6.081 155 HB2 LYS 21 HB2 LYS 21 2.319 4.713 7.535 156 HB3 LYS 21 HB3 LYS 21 3.340 4.438 6.138 157 HG2 LYS 21 HG2 LYS 21 3.968 6.494 7.271 158 HG3 LYS 21 HG3 LYS 21 3.336 6.840 5.662 159 HD2 LYS 21 HD2 LYS 21 1.197 7.466 6.608 160 HD3 LYS 21 HD3 LYS 21 1.763 7.062 8.229 161 HE2 LYS 21 HE2 LYS 21 1.847 9.469 7.872 162 HE3 LYS 21 HE3 LYS 21 3.475 8.816 8.044 163 HZ1 LYS 21 HZ1 LYS 21 2.152 9.531 5.480 164 HZ2 LYS 21 HZ2 LYS 21 3.729 8.924 5.633 165 HZ3 LYS 21 HZ3 LYS 21 3.340 10.427 6.261 166 H ALA 22 H ALA 22 2.693 3.756 3.887 167 HA ALA 22 HA ALA 22 3.003 5.943 2.116 168 HB1 ALA 22 HB1 ALA 22 4.624 4.121 2.257 169 HB2 ALA 22 HB2 ALA 22 4.041 4.341 0.605 170 HB3 ALA 22 HB3 ALA 22 3.426 3.012 1.588 171 H CYS 23 H CYS 23 0.885 3.083 2.010 172 HA CYS 23 HA CYS 23 -0.351 3.512 -0.463 173 HB2 CYS 23 HB2 CYS 23 -1.578 2.352 2.054 174 HB3 CYS 23 HB3 CYS 23 -2.259 2.211 0.445 175 H ALA 24 H ALA 24 -1.121 4.747 2.737 176 HA ALA 24 HA ALA 24 -3.460 6.111 1.997 177 HB1 ALA 24 HB1 ALA 24 -1.550 6.660 4.257 178 HB2 ALA 24 HB2 ALA 24 -2.909 5.539 4.299 179 HB3 ALA 24 HB3 ALA 24 -3.199 7.271 4.119 180 H ASP 25 H ASP 25 -0.137 7.189 2.519 181 HA ASP 25 HA ASP 25 -0.413 9.891 2.060 182 HB2 ASP 25 HB2 ASP 25 1.649 8.821 2.891 183 HB3 ASP 25 HB3 ASP 25 1.955 8.191 1.277 184 H ALA 26 H ALA 26 0.351 7.410 -0.345 185 HA ALA 26 HA ALA 26 0.497 9.285 -2.483 186 HB1 ALA 26 HB1 ALA 26 0.255 6.292 -2.614 187 HB2 ALA 26 HB2 ALA 26 1.764 7.193 -2.473 188 HB3 ALA 26 HB3 ALA 26 0.766 7.363 -3.917 189 H PHE 27 H PHE 27 -2.209 7.707 -1.010 190 HA PHE 27 HA PHE 27 -3.641 8.191 -3.513 191 HB2 PHE 27 HB2 PHE 27 -4.020 5.886 -1.633 192 HB3 PHE 27 HB3 PHE 27 -5.216 6.315 -2.858 193 HD1 PHE 27 HD1 PHE 27 -2.144 4.492 -2.243 194 HD2 PHE 27 HD2 PHE 27 -4.405 6.517 -5.240 195 HE1 PHE 27 HE1 PHE 27 -0.917 3.331 -3.955 196 HE2 PHE 27 HE2 PHE 27 -3.141 5.352 -6.978 197 HZ PHE 27 HZ PHE 27 -1.373 3.742 -6.337 198 H ALA 28 H ALA 28 -3.975 8.338 -0.054 199 HA ALA 28 HA ALA 28 -6.320 10.051 -0.488 200 HB1 ALA 28 HB1 ALA 28 -6.888 7.916 0.581 201 HB2 ALA 28 HB2 ALA 28 -7.182 9.299 1.630 202 HB3 ALA 28 HB3 ALA 28 -5.759 8.283 1.889 203 H ASN 29 H ASN 29 -3.256 10.306 -0.064 204 HA ASN 29 HA ASN 29 -1.802 11.795 0.764 205 HB2 ASN 29 HB2 ASN 29 -4.317 13.442 1.018 206 HB3 ASN 29 HB3 ASN 29 -2.716 14.093 1.358 207 HD21 ASN 29 HD21 ASN 29 -4.878 12.958 -1.130 208 HD22 ASN 29 HD22 ASN 29 -3.934 13.526 -2.447 209 H GLY 30 H GLY 30 -2.991 9.889 2.617 210 HA2 GLY 30 HA2 GLY 30 -1.646 9.869 4.765 211 HA3 GLY 30 HA3 GLY 30 -2.471 11.377 5.116 212 H ASP 31 H ASP 31 -4.994 10.263 3.906 213 HA ASP 31 HA ASP 31 -5.972 9.145 6.345 214 HB2 ASP 31 HB2 ASP 31 -7.474 10.497 4.964 215 HB3 ASP 31 HB3 ASP 31 -7.363 9.313 3.664 216 H GLN 32 H GLN 32 -5.760 7.179 6.992 217 HA GLN 32 HA GLN 32 -4.952 5.127 5.099 218 HB2 GLN 32 HB2 GLN 32 -5.148 4.987 8.091 219 HB3 GLN 32 HB3 GLN 32 -4.376 3.807 7.043 220 HG2 GLN 32 HG2 GLN 32 -2.739 5.538 6.392 221 HG3 GLN 32 HG3 GLN 32 -3.498 6.636 7.546 222 HE21 GLN 32 HE21 GLN 32 -0.821 5.665 7.497 223 HE22 GLN 32 HE22 GLN 32 -0.551 4.821 8.980 224 H SER 33 H SER 33 -7.895 6.182 6.011 225 HA SER 33 HA SER 33 -9.013 3.563 6.553 226 HB2 SER 33 HB2 SER 33 -10.323 6.280 6.379 227 HB3 SER 33 HB3 SER 33 -11.115 4.787 6.894 228 HG SER 33 HG SER 33 -10.178 6.321 8.513 229 H LYS 34 H LYS 34 -8.488 5.733 3.995 230 HA LYS 34 HA LYS 34 -10.423 4.741 2.148 231 HB2 LYS 34 HB2 LYS 34 -9.174 6.954 2.077 232 HB3 LYS 34 HB3 LYS 34 -7.762 6.051 1.574 233 HG2 LYS 34 HG2 LYS 34 -8.786 7.058 -0.348 234 HG3 LYS 34 HG3 LYS 34 -8.992 5.302 -0.414 235 HD2 LYS 34 HD2 LYS 34 -11.276 5.458 0.270 236 HD3 LYS 34 HD3 LYS 34 -11.105 7.173 0.656 237 HE2 LYS 34 HE2 LYS 34 -12.297 6.821 -1.457 238 HE3 LYS 34 HE3 LYS 34 -10.786 7.689 -1.699 239 HZ1 LYS 34 HZ1 LYS 34 -11.213 4.788 -2.187 240 HZ2 LYS 34 HZ2 LYS 34 -9.776 5.639 -2.496 241 HZ3 LYS 34 HZ3 LYS 34 -11.141 5.975 -3.362 242 H ILE 35 H ILE 35 -7.627 3.521 3.464 243 HA ILE 35 HA ILE 35 -7.163 1.575 1.306 244 HB ILE 35 HB ILE 35 -5.348 2.293 3.637 245 HG12 ILE 35 HG12 ILE 35 -5.479 4.176 2.076 246 HG13 ILE 35 HG13 ILE 35 -3.895 3.419 1.995 247 HG21 ILE 35 HG21 ILE 35 -3.628 1.000 2.456 248 HG22 ILE 35 HG22 ILE 35 -4.808 0.569 1.221 249 HG23 ILE 35 HG23 ILE 35 -5.023 0.004 2.875 250 HD11 ILE 35 HD11 ILE 35 -6.145 3.070 0.026 251 HD12 ILE 35 HD12 ILE 35 -4.576 2.273 -0.071 252 HD13 ILE 35 HD13 ILE 35 -4.684 4.028 -0.214 253 H ALA 36 H ALA 36 -7.844 -0.434 1.736 254 HA ALA 36 HA ALA 36 -9.137 -1.026 4.231 255 HB1 ALA 36 HB1 ALA 36 -10.014 -1.850 2.090 256 HB2 ALA 36 HB2 ALA 36 -9.679 -3.170 3.203 257 HB3 ALA 36 HB3 ALA 36 -8.564 -2.831 1.879 258 H LYS 37 H LYS 37 -6.442 -2.484 2.484 259 HA LYS 37 HA LYS 37 -5.060 -3.078 4.935 260 HB2 LYS 37 HB2 LYS 37 -6.604 -5.050 4.544 261 HB3 LYS 37 HB3 LYS 37 -5.856 -5.267 2.973 262 HG2 LYS 37 HG2 LYS 37 -3.699 -5.689 4.078 263 HG3 LYS 37 HG3 LYS 37 -4.483 -5.520 5.643 264 HD2 LYS 37 HD2 LYS 37 -5.890 -7.440 5.149 265 HD3 LYS 37 HD3 LYS 37 -5.145 -7.596 3.557 266 HE2 LYS 37 HE2 LYS 37 -3.717 -7.838 6.213 267 HE3 LYS 37 HE3 LYS 37 -4.168 -9.172 5.156 268 HZ1 LYS 37 HZ1 LYS 37 -1.816 -8.514 4.949 269 HZ2 LYS 37 HZ2 LYS 37 -2.270 -7.002 4.373 270 HZ3 LYS 37 HZ3 LYS 37 -2.669 -8.392 3.508 271 H ALA 38 H ALA 38 -2.875 -3.958 4.305 272 HA ALA 38 HA ALA 38 -2.159 -3.591 1.516 273 HB1 ALA 38 HB1 ALA 38 -0.698 -2.320 3.842 274 HB2 ALA 38 HB2 ALA 38 -1.619 -1.477 2.586 275 HB3 ALA 38 HB3 ALA 38 -0.151 -2.356 2.160 276 H GLU 39 H GLU 39 -0.075 -4.664 1.119 277 HA GLU 39 HA GLU 39 1.065 -6.261 3.242 278 HB2 GLU 39 HB2 GLU 39 -0.830 -7.691 2.454 279 HB3 GLU 39 HB3 GLU 39 -0.166 -7.649 0.825 280 HG2 GLU 39 HG2 GLU 39 1.800 -8.856 1.569 281 HG3 GLU 39 HG3 GLU 39 1.226 -8.809 3.232 282 H ASN 40 H ASN 40 3.153 -7.073 2.615 283 HA ASN 40 HA ASN 40 4.428 -5.471 0.683 284 HB2 ASN 40 HB2 ASN 40 5.764 -6.295 2.514 285 HB3 ASN 40 HB3 ASN 40 5.408 -7.967 2.080 286 HD21 ASN 40 HD21 ASN 40 7.022 -5.066 1.007 287 HD22 ASN 40 HD22 ASN 40 8.156 -5.853 -0.031 288 H PHE 41 H PHE 41 4.498 -5.632 -1.363 289 HA PHE 41 HA PHE 41 3.294 -7.910 -2.692 290 HB2 PHE 41 HB2 PHE 41 2.590 -5.691 -3.386 291 HB3 PHE 41 HB3 PHE 41 4.251 -5.219 -3.675 292 HD1 PHE 41 HD1 PHE 41 1.513 -7.392 -4.904 293 HD2 PHE 41 HD2 PHE 41 5.314 -5.653 -5.729 294 HE1 PHE 41 HE1 PHE 41 1.329 -8.077 -7.261 295 HE2 PHE 41 HE2 PHE 41 5.147 -6.334 -8.049 296 HZ PHE 41 HZ PHE 41 3.136 -7.549 -8.837 297 H LYS 42 H LYS 42 6.358 -6.140 -2.642 298 HA LYS 42 HA LYS 42 7.861 -8.403 -3.473 299 HB2 LYS 42 HB2 LYS 42 6.781 -7.374 -5.617 300 HB3 LYS 42 HB3 LYS 42 7.786 -5.976 -5.311 301 HG2 LYS 42 HG2 LYS 42 8.823 -7.307 -6.990 302 HG3 LYS 42 HG3 LYS 42 9.781 -7.461 -5.522 303 HD2 LYS 42 HD2 LYS 42 8.653 -9.612 -5.043 304 HD3 LYS 42 HD3 LYS 42 7.725 -9.437 -6.531 305 HE2 LYS 42 HE2 LYS 42 10.730 -9.676 -6.331 306 HE3 LYS 42 HE3 LYS 42 9.623 -10.959 -6.800 307 HZ1 LYS 42 HZ1 LYS 42 10.030 -8.424 -8.305 308 HZ2 LYS 42 HZ2 LYS 42 9.013 -9.677 -8.765 309 HZ3 LYS 42 HZ3 LYS 42 10.667 -9.916 -8.726 310 H ASP 43 H ASP 43 10.244 -7.393 -3.674 311 HA ASP 43 HA ASP 43 10.803 -5.927 -1.359 312 HB2 ASP 43 HB2 ASP 43 12.483 -6.117 -3.878 313 HB3 ASP 43 HB3 ASP 43 13.062 -5.660 -2.282 314 H TYR 44 H TYR 44 10.626 -3.844 -0.942 315 HA TYR 44 HA TYR 44 10.315 -1.614 -1.124 316 HB2 TYR 44 HB2 TYR 44 11.516 -1.996 -3.884 317 HB3 TYR 44 HB3 TYR 44 11.094 -0.424 -3.218 318 HD1 TYR 44 HD1 TYR 44 13.440 -3.227 -3.062 319 HD2 TYR 44 HD2 TYR 44 12.378 0.540 -1.420 320 HE1 TYR 44 HE1 TYR 44 15.621 -3.102 -1.963 321 HE2 TYR 44 HE2 TYR 44 14.560 0.688 -0.315 322 HH TYR 44 HH TYR 44 17.139 -1.291 -1.064 323 H TYR 45 H TYR 45 8.247 -3.630 -2.155 324 HA TYR 45 HA TYR 45 6.480 -1.576 -3.266 325 HB2 TYR 45 HB2 TYR 45 6.808 -4.375 -4.339 326 HB3 TYR 45 HB3 TYR 45 5.415 -3.368 -4.688 327 HD1 TYR 45 HD1 TYR 45 8.775 -4.198 -5.640 328 HD2 TYR 45 HD2 TYR 45 5.818 -1.161 -5.861 329 HE1 TYR 45 HE1 TYR 45 9.941 -3.216 -7.543 330 HE2 TYR 45 HE2 TYR 45 6.974 -0.161 -7.761 331 HH TYR 45 HH TYR 45 9.372 -1.758 -9.493 332 H CYS 46 H CYS 46 4.509 -1.545 -2.531 333 HA CYS 46 HA CYS 46 3.655 -3.721 -0.735 334 HB2 CYS 46 HB2 CYS 46 3.129 -0.756 -0.416 335 HB3 CYS 46 HB3 CYS 46 2.374 -2.009 0.562 336 H ASN 47 H ASN 47 1.716 -4.581 -1.149 337 HA ASN 47 HA ASN 47 0.199 -3.597 -3.421 338 HB2 ASN 47 HB2 ASN 47 0.607 -6.044 -3.190 339 HB3 ASN 47 HB3 ASN 47 -0.201 -6.020 -1.629 340 HD21 ASN 47 HD21 ASN 47 -2.458 -5.940 -1.567 341 HD22 ASN 47 HD22 ASN 47 -3.427 -6.204 -2.953 342 H CYS 48 H CYS 48 -1.087 -1.979 -2.970 343 HA CYS 48 HA CYS 48 -2.257 -1.719 -0.318 344 HB2 CYS 48 HB2 CYS 48 -2.272 0.181 -2.662 345 HB3 CYS 48 HB3 CYS 48 -2.767 0.531 -1.008 346 H HIS 49 H HIS 49 -4.405 -1.856 0.038 347 HA HIS 49 HA HIS 49 -6.089 -2.648 -2.217 348 HB2 HIS 49 HB2 HIS 49 -6.489 -2.973 0.774 349 HB3 HIS 49 HB3 HIS 49 -7.654 -3.453 -0.447 350 HD1 HIS 49 HD3 HIS 49 -7.642 -5.870 -0.695 351 HD2 HIS 49 HD2 HIS 49 -3.860 -4.403 0.161 352 HE1 HIS 49 HE1 HIS 49 -6.108 -7.898 -0.633 353 H ILE 50 H ILE 50 -6.582 -0.698 -2.979 354 HA ILE 50 HA ILE 50 -7.290 1.425 -1.151 355 HB ILE 50 HB ILE 50 -7.506 1.583 -4.158 356 HG12 ILE 50 HG12 ILE 50 -4.981 2.099 -2.567 357 HG13 ILE 50 HG13 ILE 50 -5.259 0.608 -3.459 358 HG21 ILE 50 HG21 ILE 50 -8.354 3.414 -2.750 359 HG22 ILE 50 HG22 ILE 50 -6.916 3.927 -3.661 360 HG23 ILE 50 HG23 ILE 50 -6.778 3.484 -1.956 361 HD11 ILE 50 HD11 ILE 50 -5.143 3.373 -4.631 362 HD12 ILE 50 HD12 ILE 50 -5.401 1.876 -5.530 363 HD13 ILE 50 HD13 ILE 50 -3.871 2.155 -4.699 364 H ILE 51 H ILE 51 -9.325 1.766 -0.550 365 HA ILE 51 HA ILE 51 -11.384 0.034 -1.548 366 HB ILE 51 HB ILE 51 -11.579 2.318 0.428 367 HG12 ILE 51 HG12 ILE 51 -11.298 -0.638 0.960 368 HG13 ILE 51 HG13 ILE 51 -9.988 0.530 1.120 369 HG21 ILE 51 HG21 ILE 51 -13.435 0.003 -0.140 370 HG22 ILE 51 HG22 ILE 51 -13.736 1.696 -0.527 371 HG23 ILE 51 HG23 ILE 51 -13.638 1.179 1.157 372 HD11 ILE 51 HD11 ILE 51 -11.223 1.676 2.878 373 HD12 ILE 51 HD12 ILE 51 -10.983 -0.027 3.277 374 HD13 ILE 51 HD13 ILE 51 -12.552 0.535 2.689 375 H ILE 52 H ILE 52 -12.468 0.535 -3.320 376 HA ILE 52 HA ILE 52 -12.854 3.329 -4.047 377 HB ILE 52 HB ILE 52 -13.968 0.821 -5.367 378 HG12 ILE 52 HG12 ILE 52 -11.672 2.613 -6.192 379 HG13 ILE 52 HG13 ILE 52 -11.529 0.973 -5.573 380 HG21 ILE 52 HG21 ILE 52 -14.546 2.287 -7.257 381 HG22 ILE 52 HG22 ILE 52 -14.009 3.686 -6.330 382 HG23 ILE 52 HG23 ILE 52 -15.400 2.749 -5.783 383 HD11 ILE 52 HD11 ILE 52 -11.258 1.047 -7.985 384 HD12 ILE 52 HD12 ILE 52 -12.855 1.775 -8.154 385 HD13 ILE 52 HD13 ILE 52 -12.696 0.128 -7.544 386 H HIS 53 H HIS 53 -14.761 0.496 -3.263 387 HA HIS 53 HA HIS 53 -16.490 1.928 -1.573 388 HB2 HIS 53 HB2 HIS 53 -17.536 2.408 -3.811 389 HB3 HIS 53 HB3 HIS 53 -17.659 0.676 -4.092 390 HD1 HIS 53 HD3 HIS 53 -19.748 -0.456 -3.201 391 HD2 HIS 53 HD2 HIS 53 -19.171 3.340 -1.627 392 HE1 HIS 53 HE1 HIS 53 -21.816 0.055 -1.861 Start of MODEL 13 1 H1 GLU 1 1HT GLU 1 -14.390 -6.987 -2.627 2 H2 GLU 1 2HT GLU 1 -14.611 -5.359 -2.240 3 H3 GLU 1 3HT GLU 1 -13.255 -6.164 -1.679 4 HA GLU 1 HA GLU 1 -12.422 -6.407 -3.876 5 HB2 GLU 1 HB2 GLU 1 -14.930 -4.934 -4.612 6 HB3 GLU 1 HB3 GLU 1 -13.533 -5.042 -5.670 7 HG2 GLU 1 HG2 GLU 1 -13.717 -7.436 -5.702 8 HG3 GLU 1 HG3 GLU 1 -15.085 -7.358 -4.592 9 H GLU 2 H GLU 2 -10.744 -5.270 -3.621 10 HA GLU 2 HA GLU 2 -11.038 -2.395 -3.214 11 HB2 GLU 2 HB2 GLU 2 -8.936 -4.260 -2.090 12 HB3 GLU 2 HB3 GLU 2 -8.772 -2.517 -2.095 13 HG2 GLU 2 HG2 GLU 2 -9.442 -3.193 0.086 14 HG3 GLU 2 HG3 GLU 2 -10.814 -2.392 -0.665 15 H THR 3 H THR 3 -9.515 -1.135 -4.287 16 HA THR 3 HA THR 3 -8.582 -2.210 -6.775 17 HB THR 3 HB THR 3 -8.085 0.477 -5.503 18 HG1 THR 3 HG1 THR 3 -10.300 -0.556 -6.930 19 HG21 THR 3 HG21 THR 3 -7.837 1.248 -7.835 20 HG22 THR 3 HG22 THR 3 -8.087 -0.409 -8.388 21 HG23 THR 3 HG23 THR 3 -6.665 -0.006 -7.427 22 H GLU 4 H GLU 4 -6.750 -3.344 -6.737 23 HA GLU 4 HA GLU 4 -4.790 -2.847 -4.663 24 HB2 GLU 4 HB2 GLU 4 -5.010 -5.036 -6.727 25 HB3 GLU 4 HB3 GLU 4 -3.703 -4.897 -5.552 26 HG2 GLU 4 HG2 GLU 4 -5.288 -5.144 -3.731 27 HG3 GLU 4 HG3 GLU 4 -6.618 -5.230 -4.884 28 H GLU 5 H GLU 5 -2.930 -1.886 -4.996 29 HA GLU 5 HA GLU 5 -1.924 -1.533 -7.710 30 HB2 GLU 5 HB2 GLU 5 -3.421 0.403 -7.210 31 HB3 GLU 5 HB3 GLU 5 -2.411 0.780 -5.828 32 HG2 GLU 5 HG2 GLU 5 -1.848 2.237 -7.638 33 HG3 GLU 5 HG3 GLU 5 -0.502 1.138 -7.345 34 HA PRO 6 HA PRO 6 1.728 -2.187 -5.091 35 HB2 PRO 6 HB2 PRO 6 3.226 -2.178 -7.591 36 HB3 PRO 6 HB3 PRO 6 3.002 -3.499 -6.444 37 HG2 PRO 6 HG2 PRO 6 1.895 -3.465 -8.918 38 HG3 PRO 6 HG3 PRO 6 1.166 -4.311 -7.540 39 HD2 PRO 6 HD2 PRO 6 0.449 -1.684 -8.766 40 HD3 PRO 6 HD3 PRO 6 -0.598 -2.955 -8.091 41 H ILE 7 H ILE 7 2.798 -0.603 -4.211 42 HA ILE 7 HA ILE 7 3.446 1.815 -5.763 43 HB ILE 7 HB ILE 7 3.389 3.072 -3.647 44 HG12 ILE 7 HG12 ILE 7 2.583 0.515 -2.295 45 HG13 ILE 7 HG13 ILE 7 4.266 1.046 -2.311 46 HG21 ILE 7 HG21 ILE 7 1.023 1.329 -3.982 47 HG22 ILE 7 HG22 ILE 7 1.379 2.853 -4.811 48 HG23 ILE 7 HG23 ILE 7 1.142 2.822 -3.046 49 HD11 ILE 7 HD11 ILE 7 3.605 3.093 -1.245 50 HD12 ILE 7 HD12 ILE 7 3.164 1.675 -0.274 51 HD13 ILE 7 HD13 ILE 7 1.927 2.548 -1.209 52 H ARG 8 H ARG 8 5.404 2.891 -5.025 53 HA ARG 8 HA ARG 8 7.616 1.031 -4.677 54 HB2 ARG 8 HB2 ARG 8 7.557 4.045 -5.017 55 HB3 ARG 8 HB3 ARG 8 8.999 3.042 -5.014 56 HG2 ARG 8 HG2 ARG 8 8.361 1.994 -7.058 57 HG3 ARG 8 HG3 ARG 8 6.795 2.810 -7.044 58 HD2 ARG 8 HD2 ARG 8 8.391 3.878 -8.578 59 HD3 ARG 8 HD3 ARG 8 7.890 4.961 -7.280 60 HE ARG 8 HE ARG 8 10.326 3.482 -6.810 61 HH11 ARG 8 HH11 ARG 8 8.960 6.486 -8.133 62 HH12 ARG 8 HH12 ARG 8 10.364 7.398 -7.876 63 HH21 ARG 8 HH21 ARG 8 12.269 4.776 -6.435 64 HH22 ARG 8 HH22 ARG 8 12.281 6.412 -6.871 65 H HIS 9 H HIS 9 8.802 0.925 -2.737 66 HA HIS 9 HA HIS 9 8.007 2.819 -0.651 67 HB2 HIS 9 HB2 HIS 9 6.809 0.466 -0.638 68 HB3 HIS 9 HB3 HIS 9 8.342 -0.085 0.021 69 HD1 HIS 9 HD3 HIS 9 9.013 0.997 2.436 70 HD2 HIS 9 HD2 HIS 9 5.168 1.753 1.069 71 HE1 HIS 9 HE1 HIS 9 7.731 1.848 4.403 72 H ALA 10 H ALA 10 9.638 3.123 0.924 73 HA ALA 10 HA ALA 10 12.319 2.520 -0.037 74 HB1 ALA 10 HB1 ALA 10 11.714 4.810 0.623 75 HB2 ALA 10 HB2 ALA 10 13.058 4.155 1.560 76 HB3 ALA 10 HB3 ALA 10 11.448 4.245 2.279 77 H LYS 11 H LYS 11 10.618 0.469 1.221 78 HA LYS 11 HA LYS 11 12.407 -0.394 3.368 79 HB2 LYS 11 HB2 LYS 11 10.156 0.575 4.188 80 HB3 LYS 11 HB3 LYS 11 9.396 -0.755 3.348 81 HG2 LYS 11 HG2 LYS 11 9.509 -1.272 5.669 82 HG3 LYS 11 HG3 LYS 11 10.648 -2.319 4.822 83 HD2 LYS 11 HD2 LYS 11 12.503 -0.953 5.515 84 HD3 LYS 11 HD3 LYS 11 11.409 0.268 6.167 85 HE2 LYS 11 HE2 LYS 11 11.688 -2.554 7.192 86 HE3 LYS 11 HE3 LYS 11 12.411 -1.125 7.926 87 HZ1 LYS 11 HZ1 LYS 11 10.433 -1.589 9.096 88 HZ2 LYS 11 HZ2 LYS 11 9.551 -1.808 7.701 89 HZ3 LYS 11 HZ3 LYS 11 10.030 -0.258 8.116 90 H LYS 12 H LYS 12 13.030 -2.480 2.890 91 HA LYS 12 HA LYS 12 12.427 -3.513 0.340 92 HB2 LYS 12 HB2 LYS 12 14.562 -3.913 1.519 93 HB3 LYS 12 HB3 LYS 12 13.715 -4.904 2.697 94 HG2 LYS 12 HG2 LYS 12 13.127 -6.500 0.945 95 HG3 LYS 12 HG3 LYS 12 13.946 -5.472 -0.241 96 HD2 LYS 12 HD2 LYS 12 16.049 -5.766 0.945 97 HD3 LYS 12 HD3 LYS 12 15.246 -6.786 2.136 98 HE2 LYS 12 HE2 LYS 12 15.465 -7.380 -0.815 99 HE3 LYS 12 HE3 LYS 12 16.469 -8.093 0.444 100 HZ1 LYS 12 HZ1 LYS 12 14.354 -8.967 1.421 101 HZ2 LYS 12 HZ2 LYS 12 14.823 -9.604 -0.054 102 HZ3 LYS 12 HZ3 LYS 12 13.559 -8.518 -0.024 103 H ASN 13 H ASN 13 11.511 -4.471 3.560 104 HA ASN 13 HA ASN 13 9.268 -5.983 2.417 105 HB2 ASN 13 HB2 ASN 13 11.100 -7.495 3.281 106 HB3 ASN 13 HB3 ASN 13 10.855 -6.778 4.868 107 HD21 ASN 13 HD21 ASN 13 8.459 -7.725 2.447 108 HD22 ASN 13 HD22 ASN 13 7.661 -8.850 3.487 109 HA PRO 14 HA PRO 14 7.800 -2.972 5.497 110 HB2 PRO 14 HB2 PRO 14 5.751 -2.058 3.805 111 HB3 PRO 14 HB3 PRO 14 7.303 -1.276 4.094 112 HG2 PRO 14 HG2 PRO 14 6.437 -2.431 1.676 113 HG3 PRO 14 HG3 PRO 14 8.084 -1.915 2.059 114 HD2 PRO 14 HD2 PRO 14 6.873 -4.624 2.131 115 HD3 PRO 14 HD3 PRO 14 8.547 -4.139 1.753 116 H SER 15 H SER 15 6.319 -3.327 6.998 117 HA SER 15 HA SER 15 4.297 -5.326 6.654 118 HB2 SER 15 HB2 SER 15 3.981 -4.590 9.137 119 HB3 SER 15 HB3 SER 15 5.442 -5.478 8.694 120 HG SER 15 HG SER 15 5.183 -2.898 9.595 121 H GLU 16 H GLU 16 2.110 -4.504 7.928 122 HA GLU 16 HA GLU 16 0.975 -2.776 6.123 123 HB2 GLU 16 HB2 GLU 16 -0.096 -3.695 8.746 124 HB3 GLU 16 HB3 GLU 16 -0.966 -2.507 7.784 125 HG2 GLU 16 HG2 GLU 16 -0.697 -4.261 5.884 126 HG3 GLU 16 HG3 GLU 16 -0.414 -5.379 7.216 127 H GLY 17 H GLY 17 2.059 -1.850 9.389 128 HA2 GLY 17 HA2 GLY 17 0.970 0.713 9.418 129 HA3 GLY 17 HA3 GLY 17 2.483 0.301 10.201 130 H GLU 18 H GLU 18 4.132 -0.194 8.219 131 HA GLU 18 HA GLU 18 5.110 2.195 7.180 132 HB2 GLU 18 HB2 GLU 18 5.373 -0.571 5.975 133 HB3 GLU 18 HB3 GLU 18 6.433 0.788 5.670 134 HG2 GLU 18 HG2 GLU 18 6.086 -0.480 8.374 135 HG3 GLU 18 HG3 GLU 18 7.310 -0.971 7.212 136 H CYS 19 H CYS 19 3.342 -0.379 5.492 137 HA CYS 19 HA CYS 19 3.119 0.991 3.065 138 HB2 CYS 19 HB2 CYS 19 1.573 -1.406 4.051 139 HB3 CYS 19 HB3 CYS 19 1.507 -0.712 2.445 140 H LYS 20 H LYS 20 0.764 0.580 5.703 141 HA LYS 20 HA LYS 20 -1.398 1.721 4.347 142 HB2 LYS 20 HB2 LYS 20 -0.878 1.854 7.344 143 HB3 LYS 20 HB3 LYS 20 -2.426 2.124 6.565 144 HG2 LYS 20 HG2 LYS 20 -0.916 -0.495 6.536 145 HG3 LYS 20 HG3 LYS 20 -2.213 -0.098 7.651 146 HD2 LYS 20 HD2 LYS 20 -2.880 0.232 4.801 147 HD3 LYS 20 HD3 LYS 20 -2.527 -1.422 5.293 148 HE2 LYS 20 HE2 LYS 20 -4.529 0.398 6.621 149 HE3 LYS 20 HE3 LYS 20 -4.930 -0.854 5.452 150 HZ1 LYS 20 HZ1 LYS 20 -3.942 -2.499 7.009 151 HZ2 LYS 20 HZ2 LYS 20 -5.277 -1.720 7.664 152 HZ3 LYS 20 HZ3 LYS 20 -3.744 -1.286 8.161 153 H LYS 21 H LYS 21 1.192 3.151 6.281 154 HA LYS 21 HA LYS 21 0.393 5.826 6.144 155 HB2 LYS 21 HB2 LYS 21 2.213 5.145 7.587 156 HB3 LYS 21 HB3 LYS 21 3.150 4.582 6.218 157 HG2 LYS 21 HG2 LYS 21 4.051 6.670 7.036 158 HG3 LYS 21 HG3 LYS 21 3.368 6.896 5.429 159 HD2 LYS 21 HD2 LYS 21 1.362 7.884 6.404 160 HD3 LYS 21 HD3 LYS 21 2.000 7.624 8.026 161 HE2 LYS 21 HE2 LYS 21 2.367 9.925 7.395 162 HE3 LYS 21 HE3 LYS 21 3.917 9.093 7.458 163 HZ1 LYS 21 HZ1 LYS 21 3.797 10.473 5.497 164 HZ2 LYS 21 HZ2 LYS 21 2.363 9.754 5.015 165 HZ3 LYS 21 HZ3 LYS 21 3.802 8.858 5.025 166 H ALA 22 H ALA 22 2.565 4.020 3.956 167 HA ALA 22 HA ALA 22 2.933 6.172 2.159 168 HB1 ALA 22 HB1 ALA 22 3.276 3.230 1.635 169 HB2 ALA 22 HB2 ALA 22 4.504 4.308 2.304 170 HB3 ALA 22 HB3 ALA 22 3.927 4.543 0.657 171 H CYS 23 H CYS 23 0.819 3.342 1.947 172 HA CYS 23 HA CYS 23 -0.319 3.842 -0.544 173 HB2 CYS 23 HB2 CYS 23 -1.559 2.522 1.877 174 HB3 CYS 23 HB3 CYS 23 -2.199 2.432 0.242 175 H ALA 24 H ALA 24 -1.215 5.007 2.686 176 HA ALA 24 HA ALA 24 -3.534 6.357 1.838 177 HB1 ALA 24 HB1 ALA 24 -3.085 5.796 4.170 178 HB2 ALA 24 HB2 ALA 24 -3.359 7.527 3.962 179 HB3 ALA 24 HB3 ALA 24 -1.719 6.911 4.174 180 H ASP 25 H ASP 25 -0.266 7.486 2.572 181 HA ASP 25 HA ASP 25 -0.563 10.169 1.972 182 HB2 ASP 25 HB2 ASP 25 1.358 9.460 3.151 183 HB3 ASP 25 HB3 ASP 25 1.832 8.368 1.861 184 H ALA 26 H ALA 26 0.272 7.553 -0.247 185 HA ALA 26 HA ALA 26 0.656 9.449 -2.401 186 HB1 ALA 26 HB1 ALA 26 2.173 7.547 -2.136 187 HB2 ALA 26 HB2 ALA 26 1.381 7.565 -3.711 188 HB3 ALA 26 HB3 ALA 26 0.833 6.449 -2.463 189 H PHE 27 H PHE 27 -2.094 8.041 -1.126 190 HA PHE 27 HA PHE 27 -3.335 8.169 -3.789 191 HB2 PHE 27 HB2 PHE 27 -3.635 5.906 -1.855 192 HB3 PHE 27 HB3 PHE 27 -4.848 6.236 -3.086 193 HD1 PHE 27 HD1 PHE 27 -4.086 6.344 -5.472 194 HD2 PHE 27 HD2 PHE 27 -1.681 4.631 -2.395 195 HE1 PHE 27 HE1 PHE 27 -2.816 5.119 -7.138 196 HE2 PHE 27 HE2 PHE 27 -0.442 3.412 -4.051 197 HZ PHE 27 HZ PHE 27 -0.976 3.634 -6.439 198 H ALA 28 H ALA 28 -3.903 8.266 -0.339 199 HA ALA 28 HA ALA 28 -6.478 9.584 -0.862 200 HB1 ALA 28 HB1 ALA 28 -6.724 7.359 0.115 201 HB2 ALA 28 HB2 ALA 28 -7.254 8.619 1.229 202 HB3 ALA 28 HB3 ALA 28 -5.691 7.837 1.463 203 H ASN 29 H ASN 29 -3.605 10.539 -0.372 204 HA ASN 29 HA ASN 29 -2.564 12.313 0.577 205 HB2 ASN 29 HB2 ASN 29 -5.400 13.160 1.175 206 HB3 ASN 29 HB3 ASN 29 -4.003 14.178 1.494 207 HD21 ASN 29 HD21 ASN 29 -6.241 14.609 -0.291 208 HD22 ASN 29 HD22 ASN 29 -5.570 14.801 -1.870 209 H GLY 30 H GLY 30 -3.217 9.938 2.276 210 HA2 GLY 30 HA2 GLY 30 -1.887 9.749 4.329 211 HA3 GLY 30 HA3 GLY 30 -2.562 11.294 4.820 212 H ASP 31 H ASP 31 -5.169 9.991 3.582 213 HA ASP 31 HA ASP 31 -6.235 9.146 6.109 214 HB2 ASP 31 HB2 ASP 31 -7.568 10.281 4.296 215 HB3 ASP 31 HB3 ASP 31 -7.458 8.793 3.365 216 H GLN 32 H GLN 32 -5.756 7.218 6.953 217 HA GLN 32 HA GLN 32 -4.852 5.081 5.222 218 HB2 GLN 32 HB2 GLN 32 -5.056 5.111 8.231 219 HB3 GLN 32 HB3 GLN 32 -4.235 3.904 7.257 220 HG2 GLN 32 HG2 GLN 32 -2.677 5.637 6.466 221 HG3 GLN 32 HG3 GLN 32 -3.473 6.806 7.513 222 HE21 GLN 32 HE21 GLN 32 -0.760 6.012 7.546 223 HE22 GLN 32 HE22 GLN 32 -0.421 5.349 9.103 224 H SER 33 H SER 33 -7.850 6.029 6.244 225 HA SER 33 HA SER 33 -8.862 3.413 6.903 226 HB2 SER 33 HB2 SER 33 -9.744 5.487 7.976 227 HB3 SER 33 HB3 SER 33 -10.328 6.017 6.402 228 HG SER 33 HG SER 33 -11.126 3.606 7.686 229 H LYS 34 H LYS 34 -8.435 5.413 4.155 230 HA LYS 34 HA LYS 34 -10.327 4.099 2.446 231 HB2 LYS 34 HB2 LYS 34 -7.864 5.640 1.607 232 HB3 LYS 34 HB3 LYS 34 -9.276 5.298 0.624 233 HG2 LYS 34 HG2 LYS 34 -9.159 7.104 3.032 234 HG3 LYS 34 HG3 LYS 34 -9.290 7.600 1.347 235 HD2 LYS 34 HD2 LYS 34 -11.483 6.545 1.195 236 HD3 LYS 34 HD3 LYS 34 -11.329 5.975 2.855 237 HE2 LYS 34 HE2 LYS 34 -12.721 7.975 2.747 238 HE3 LYS 34 HE3 LYS 34 -11.246 8.268 3.666 239 HZ1 LYS 34 HZ1 LYS 34 -11.682 10.106 2.217 240 HZ2 LYS 34 HZ2 LYS 34 -11.779 9.116 0.864 241 HZ3 LYS 34 HZ3 LYS 34 -10.312 9.328 1.647 242 H ILE 35 H ILE 35 -7.323 3.276 3.686 243 HA ILE 35 HA ILE 35 -6.827 1.311 1.572 244 HB ILE 35 HB ILE 35 -4.995 2.136 3.852 245 HG12 ILE 35 HG12 ILE 35 -5.326 4.050 2.366 246 HG13 ILE 35 HG13 ILE 35 -3.701 3.411 2.171 247 HG21 ILE 35 HG21 ILE 35 -3.240 1.007 2.551 248 HG22 ILE 35 HG22 ILE 35 -4.442 0.537 1.352 249 HG23 ILE 35 HG23 ILE 35 -4.541 -0.099 2.993 250 HD11 ILE 35 HD11 ILE 35 -6.029 2.973 0.309 251 HD12 ILE 35 HD12 ILE 35 -4.423 2.279 0.108 252 HD13 ILE 35 HD13 ILE 35 -4.643 4.029 0.028 253 H ALA 36 H ALA 36 -7.766 -0.562 2.020 254 HA ALA 36 HA ALA 36 -8.632 -1.158 4.712 255 HB1 ALA 36 HB1 ALA 36 -8.894 -2.807 2.207 256 HB2 ALA 36 HB2 ALA 36 -10.074 -1.636 2.787 257 HB3 ALA 36 HB3 ALA 36 -9.732 -3.086 3.733 258 H LYS 37 H LYS 37 -6.176 -2.237 2.503 259 HA LYS 37 HA LYS 37 -4.854 -3.697 4.599 260 HB2 LYS 37 HB2 LYS 37 -6.443 -5.365 3.724 261 HB3 LYS 37 HB3 LYS 37 -5.913 -5.041 2.093 262 HG2 LYS 37 HG2 LYS 37 -5.013 -7.152 2.887 263 HG3 LYS 37 HG3 LYS 37 -3.716 -5.999 2.604 264 HD2 LYS 37 HD2 LYS 37 -3.358 -7.280 4.665 265 HD3 LYS 37 HD3 LYS 37 -3.565 -5.566 5.006 266 HE2 LYS 37 HE2 LYS 37 -5.859 -5.947 5.693 267 HE3 LYS 37 HE3 LYS 37 -5.737 -7.646 5.237 268 HZ1 LYS 37 HZ1 LYS 37 -4.127 -7.980 6.948 269 HZ2 LYS 37 HZ2 LYS 37 -5.483 -7.285 7.640 270 HZ3 LYS 37 HZ3 LYS 37 -4.091 -6.347 7.353 271 H ALA 38 H ALA 38 -2.678 -3.971 4.061 272 HA ALA 38 HA ALA 38 -1.836 -3.356 1.370 273 HB1 ALA 38 HB1 ALA 38 -0.076 -1.890 2.172 274 HB2 ALA 38 HB2 ALA 38 -0.695 -2.022 3.823 275 HB3 ALA 38 HB3 ALA 38 -1.665 -1.238 2.568 276 H GLU 39 H GLU 39 -0.012 -4.499 0.829 277 HA GLU 39 HA GLU 39 1.205 -6.192 2.857 278 HB2 GLU 39 HB2 GLU 39 -0.833 -7.424 2.201 279 HB3 GLU 39 HB3 GLU 39 -0.333 -7.360 0.522 280 HG2 GLU 39 HG2 GLU 39 0.099 -9.554 1.490 281 HG3 GLU 39 HG3 GLU 39 1.605 -8.758 1.042 282 H ASN 40 H ASN 40 3.046 -7.330 2.058 283 HA ASN 40 HA ASN 40 4.661 -5.752 0.346 284 HB2 ASN 40 HB2 ASN 40 5.667 -7.112 2.101 285 HB3 ASN 40 HB3 ASN 40 5.036 -8.578 1.362 286 HD21 ASN 40 HD21 ASN 40 7.476 -6.099 1.176 287 HD22 ASN 40 HD22 ASN 40 8.481 -6.912 0.040 288 H PHE 41 H PHE 41 4.836 -5.764 -1.747 289 HA PHE 41 HA PHE 41 3.423 -7.795 -3.310 290 HB2 PHE 41 HB2 PHE 41 2.823 -5.480 -3.815 291 HB3 PHE 41 HB3 PHE 41 4.510 -5.056 -4.012 292 HD1 PHE 41 HD1 PHE 41 5.625 -5.364 -6.063 293 HD2 PHE 41 HD2 PHE 41 1.725 -6.973 -5.522 294 HE1 PHE 41 HE1 PHE 41 5.518 -5.843 -8.436 295 HE2 PHE 41 HE2 PHE 41 1.600 -7.456 -7.931 296 HZ PHE 41 HZ PHE 41 3.498 -6.896 -9.397 297 H LYS 42 H LYS 42 6.482 -6.102 -3.002 298 HA LYS 42 HA LYS 42 8.012 -8.296 -3.883 299 HB2 LYS 42 HB2 LYS 42 7.303 -7.418 -6.089 300 HB3 LYS 42 HB3 LYS 42 7.745 -5.794 -5.632 301 HG2 LYS 42 HG2 LYS 42 9.324 -6.783 -7.188 302 HG3 LYS 42 HG3 LYS 42 10.090 -6.404 -5.648 303 HD2 LYS 42 HD2 LYS 42 9.804 -8.784 -4.997 304 HD3 LYS 42 HD3 LYS 42 9.167 -9.114 -6.612 305 HE2 LYS 42 HE2 LYS 42 11.288 -8.367 -7.578 306 HE3 LYS 42 HE3 LYS 42 11.908 -8.047 -5.959 307 HZ1 LYS 42 HZ1 LYS 42 11.686 -10.398 -5.449 308 HZ2 LYS 42 HZ2 LYS 42 12.656 -10.185 -6.812 309 HZ3 LYS 42 HZ3 LYS 42 11.073 -10.697 -6.990 310 H ASP 43 H ASP 43 10.369 -7.439 -3.781 311 HA ASP 43 HA ASP 43 10.745 -6.148 -1.324 312 HB2 ASP 43 HB2 ASP 43 12.717 -6.507 -3.582 313 HB3 ASP 43 HB3 ASP 43 13.118 -6.188 -1.901 314 H TYR 44 H TYR 44 10.529 -4.131 -0.890 315 HA TYR 44 HA TYR 44 10.500 -1.886 -0.944 316 HB2 TYR 44 HB2 TYR 44 12.042 -2.182 -3.523 317 HB3 TYR 44 HB3 TYR 44 11.614 -0.628 -2.822 318 HD1 TYR 44 HD1 TYR 44 12.586 0.049 -0.664 319 HD2 TYR 44 HD2 TYR 44 13.862 -3.461 -2.679 320 HE1 TYR 44 HE1 TYR 44 14.613 0.033 0.694 321 HE2 TYR 44 HE2 TYR 44 15.897 -3.510 -1.329 322 HH TYR 44 HH TYR 44 17.265 -1.786 -0.109 323 H TYR 45 H TYR 45 8.520 -3.677 -2.304 324 HA TYR 45 HA TYR 45 6.952 -1.482 -3.429 325 HB2 TYR 45 HB2 TYR 45 7.303 -4.210 -4.637 326 HB3 TYR 45 HB3 TYR 45 5.963 -3.151 -5.051 327 HD1 TYR 45 HD1 TYR 45 6.504 -0.910 -6.032 328 HD2 TYR 45 HD2 TYR 45 9.387 -4.009 -5.740 329 HE1 TYR 45 HE1 TYR 45 7.842 0.178 -7.792 330 HE2 TYR 45 HE2 TYR 45 10.737 -2.941 -7.477 331 HH TYR 45 HH TYR 45 10.385 -1.385 -9.359 332 H CYS 46 H CYS 46 4.909 -1.478 -2.815 333 HA CYS 46 HA CYS 46 4.039 -3.799 -1.238 334 HB2 CYS 46 HB2 CYS 46 4.819 -1.804 0.177 335 HB3 CYS 46 HB3 CYS 46 3.384 -0.975 -0.420 336 H ASN 47 H ASN 47 1.890 -4.324 -1.393 337 HA ASN 47 HA ASN 47 0.486 -3.143 -3.672 338 HB2 ASN 47 HB2 ASN 47 0.859 -5.610 -3.623 339 HB3 ASN 47 HB3 ASN 47 -0.028 -5.686 -2.108 340 HD21 ASN 47 HD21 ASN 47 -1.490 -7.072 -2.981 341 HD22 ASN 47 HD22 ASN 47 -2.735 -6.589 -4.073 342 H CYS 48 H CYS 48 -0.896 -1.643 -3.193 343 HA CYS 48 HA CYS 48 -2.019 -1.442 -0.519 344 HB2 CYS 48 HB2 CYS 48 -2.195 0.426 -2.880 345 HB3 CYS 48 HB3 CYS 48 -2.685 0.779 -1.226 346 H HIS 49 H HIS 49 -4.149 -1.744 -0.099 347 HA HIS 49 HA HIS 49 -5.856 -2.547 -2.333 348 HB2 HIS 49 HB2 HIS 49 -6.060 -3.252 0.622 349 HB3 HIS 49 HB3 HIS 49 -7.196 -3.762 -0.617 350 HD1 HIS 49 HD3 HIS 49 -6.827 -6.177 -1.192 351 HD2 HIS 49 HD2 HIS 49 -3.272 -4.257 -0.188 352 HE1 HIS 49 HE1 HIS 49 -5.037 -7.923 -1.306 353 H ILE 50 H ILE 50 -6.654 -0.661 -2.873 354 HA ILE 50 HA ILE 50 -7.422 1.276 -0.845 355 HB ILE 50 HB ILE 50 -7.667 1.620 -3.838 356 HG12 ILE 50 HG12 ILE 50 -5.206 2.239 -2.179 357 HG13 ILE 50 HG13 ILE 50 -5.348 0.816 -3.205 358 HG21 ILE 50 HG21 ILE 50 -7.142 3.475 -1.539 359 HG22 ILE 50 HG22 ILE 50 -8.703 3.277 -2.346 360 HG23 ILE 50 HG23 ILE 50 -7.326 3.981 -3.222 361 HD11 ILE 50 HD11 ILE 50 -5.592 2.259 -5.158 362 HD12 ILE 50 HD12 ILE 50 -4.087 2.571 -4.295 363 HD13 ILE 50 HD13 ILE 50 -5.448 3.680 -4.124 364 H ILE 51 H ILE 51 -9.484 1.542 -0.248 365 HA ILE 51 HA ILE 51 -11.552 -0.116 -1.297 366 HB ILE 51 HB ILE 51 -11.761 2.290 0.559 367 HG12 ILE 51 HG12 ILE 51 -11.573 -0.659 1.220 368 HG13 ILE 51 HG13 ILE 51 -10.275 0.510 1.425 369 HG21 ILE 51 HG21 ILE 51 -13.896 1.284 1.254 370 HG22 ILE 51 HG22 ILE 51 -13.687 0.023 0.041 371 HG23 ILE 51 HG23 ILE 51 -13.902 1.699 -0.461 372 HD11 ILE 51 HD11 ILE 51 -12.919 0.531 2.863 373 HD12 ILE 51 HD12 ILE 51 -11.619 1.704 3.077 374 HD13 ILE 51 HD13 ILE 51 -11.371 0.021 3.537 375 H ILE 52 H ILE 52 -13.057 0.366 -2.823 376 HA ILE 52 HA ILE 52 -12.438 2.461 -4.640 377 HB ILE 52 HB ILE 52 -14.896 0.683 -4.625 378 HG12 ILE 52 HG12 ILE 52 -12.230 0.212 -5.994 379 HG13 ILE 52 HG13 ILE 52 -12.756 -0.608 -4.529 380 HG21 ILE 52 HG21 ILE 52 -14.886 1.121 -7.056 381 HG22 ILE 52 HG22 ILE 52 -13.508 2.200 -6.847 382 HG23 ILE 52 HG23 ILE 52 -15.062 2.608 -6.124 383 HD11 ILE 52 HD11 ILE 52 -14.087 -0.775 -7.222 384 HD12 ILE 52 HD12 ILE 52 -14.610 -1.609 -5.759 385 HD13 ILE 52 HD13 ILE 52 -13.053 -2.004 -6.490 386 H HIS 53 H HIS 53 -15.283 1.784 -2.618 387 HA HIS 53 HA HIS 53 -15.761 4.643 -2.690 388 HB2 HIS 53 HB2 HIS 53 -18.201 4.242 -2.301 389 HB3 HIS 53 HB3 HIS 53 -17.651 3.565 -3.816 390 HD1 HIS 53 HD3 HIS 53 -17.815 0.938 -4.042 391 HD2 HIS 53 HD2 HIS 53 -19.144 2.469 -0.419 392 HE1 HIS 53 HE1 HIS 53 -19.021 -0.951 -2.898 Start of MODEL 14 1 H1 GLU 1 1HT GLU 1 -15.557 -1.612 -2.062 2 H2 GLU 1 2HT GLU 1 -14.696 -2.581 -0.956 3 H3 GLU 1 3HT GLU 1 -16.152 -3.147 -1.613 4 HA GLU 1 HA GLU 1 -14.237 -4.182 -2.502 5 HB2 GLU 1 HB2 GLU 1 -15.591 -2.338 -4.455 6 HB3 GLU 1 HB3 GLU 1 -14.572 -3.696 -4.920 7 HG2 GLU 1 HG2 GLU 1 -17.155 -3.828 -3.385 8 HG3 GLU 1 HG3 GLU 1 -16.832 -4.346 -5.044 9 H GLU 2 H GLU 2 -12.305 -4.192 -3.119 10 HA GLU 2 HA GLU 2 -10.864 -1.649 -2.862 11 HB2 GLU 2 HB2 GLU 2 -10.012 -4.353 -1.796 12 HB3 GLU 2 HB3 GLU 2 -9.137 -2.843 -1.639 13 HG2 GLU 2 HG2 GLU 2 -10.141 -3.356 0.469 14 HG3 GLU 2 HG3 GLU 2 -10.997 -1.976 -0.211 15 H THR 3 H THR 3 -9.135 -1.392 -4.202 16 HA THR 3 HA THR 3 -8.633 -3.579 -6.076 17 HB THR 3 HB THR 3 -8.409 -0.600 -6.535 18 HG1 THR 3 HG1 THR 3 -10.444 -2.137 -6.638 19 HG21 THR 3 HG21 THR 3 -7.840 -1.194 -8.870 20 HG22 THR 3 HG22 THR 3 -7.813 -2.898 -8.419 21 HG23 THR 3 HG23 THR 3 -6.623 -1.790 -7.741 22 H GLU 4 H GLU 4 -6.724 -4.416 -6.105 23 HA GLU 4 HA GLU 4 -4.661 -3.632 -4.351 24 HB2 GLU 4 HB2 GLU 4 -4.684 -5.615 -6.641 25 HB3 GLU 4 HB3 GLU 4 -3.417 -5.464 -5.441 26 HG2 GLU 4 HG2 GLU 4 -4.736 -7.365 -4.894 27 HG3 GLU 4 HG3 GLU 4 -5.072 -6.121 -3.702 28 H GLU 5 H GLU 5 -3.339 -2.056 -4.738 29 HA GLU 5 HA GLU 5 -2.426 -1.480 -7.477 30 HB2 GLU 5 HB2 GLU 5 -4.023 0.220 -6.627 31 HB3 GLU 5 HB3 GLU 5 -2.993 0.473 -5.234 32 HG2 GLU 5 HG2 GLU 5 -2.688 2.264 -6.789 33 HG3 GLU 5 HG3 GLU 5 -1.221 1.296 -6.730 34 HA PRO 6 HA PRO 6 1.324 -2.330 -5.092 35 HB2 PRO 6 HB2 PRO 6 2.939 -2.749 -7.244 36 HB3 PRO 6 HB3 PRO 6 1.892 -3.983 -6.539 37 HG2 PRO 6 HG2 PRO 6 1.577 -2.453 -9.051 38 HG3 PRO 6 HG3 PRO 6 0.934 -4.040 -8.614 39 HD2 PRO 6 HD2 PRO 6 -0.478 -1.594 -8.638 40 HD3 PRO 6 HD3 PRO 6 -1.032 -3.131 -7.957 41 H ILE 7 H ILE 7 2.271 -0.671 -4.250 42 HA ILE 7 HA ILE 7 3.030 1.624 -5.936 43 HB ILE 7 HB ILE 7 2.971 3.025 -3.968 44 HG12 ILE 7 HG12 ILE 7 2.254 0.629 -2.315 45 HG13 ILE 7 HG13 ILE 7 3.936 1.151 -2.466 46 HG21 ILE 7 HG21 ILE 7 0.638 1.180 -3.987 47 HG22 ILE 7 HG22 ILE 7 0.886 2.599 -5.010 48 HG23 ILE 7 HG23 ILE 7 0.731 2.776 -3.244 49 HD11 ILE 7 HD11 ILE 7 1.637 2.745 -1.398 50 HD12 ILE 7 HD12 ILE 7 3.295 3.319 -1.594 51 HD13 ILE 7 HD13 ILE 7 2.944 2.012 -0.449 52 H ARG 8 H ARG 8 4.974 2.723 -5.363 53 HA ARG 8 HA ARG 8 7.212 0.933 -4.937 54 HB2 ARG 8 HB2 ARG 8 7.138 3.938 -5.274 55 HB3 ARG 8 HB3 ARG 8 8.545 2.900 -5.415 56 HG2 ARG 8 HG2 ARG 8 7.708 1.946 -7.441 57 HG3 ARG 8 HG3 ARG 8 6.176 2.807 -7.261 58 HD2 ARG 8 HD2 ARG 8 8.882 4.086 -7.591 59 HD3 ARG 8 HD3 ARG 8 7.671 3.934 -8.865 60 HE ARG 8 HE ARG 8 6.416 5.207 -6.784 61 HH11 ARG 8 HH11 ARG 8 9.254 5.928 -8.784 62 HH12 ARG 8 HH12 ARG 8 9.044 7.617 -8.720 63 HH21 ARG 8 HH21 ARG 8 6.132 7.558 -6.713 64 HH22 ARG 8 HH22 ARG 8 7.238 8.553 -7.537 65 H HIS 9 H HIS 9 8.419 0.925 -3.018 66 HA HIS 9 HA HIS 9 7.600 2.850 -0.970 67 HB2 HIS 9 HB2 HIS 9 6.753 0.455 -0.624 68 HB3 HIS 9 HB3 HIS 9 8.441 -0.003 -0.412 69 HD1 HIS 9 HD3 HIS 9 9.228 0.078 1.982 70 HD2 HIS 9 HD2 HIS 9 5.942 2.507 1.269 71 HE1 HIS 9 HE1 HIS 9 8.553 1.089 4.231 72 H ALA 10 H ALA 10 9.310 3.681 0.253 73 HA ALA 10 HA ALA 10 11.888 3.455 -1.060 74 HB1 ALA 10 HB1 ALA 10 10.964 5.662 -0.532 75 HB2 ALA 10 HB2 ALA 10 12.532 5.386 0.229 76 HB3 ALA 10 HB3 ALA 10 11.056 5.274 1.188 77 H LYS 11 H LYS 11 10.691 1.455 1.066 78 HA LYS 11 HA LYS 11 13.186 1.187 2.531 79 HB2 LYS 11 HB2 LYS 11 11.478 2.271 3.966 80 HB3 LYS 11 HB3 LYS 11 10.388 0.949 3.614 81 HG2 LYS 11 HG2 LYS 11 11.738 -0.573 4.864 82 HG3 LYS 11 HG3 LYS 11 12.980 0.668 5.113 83 HD2 LYS 11 HD2 LYS 11 11.380 2.045 6.322 84 HD3 LYS 11 HD3 LYS 11 10.118 0.854 6.038 85 HE2 LYS 11 HE2 LYS 11 11.317 -0.766 7.392 86 HE3 LYS 11 HE3 LYS 11 12.638 0.385 7.618 87 HZ1 LYS 11 HZ1 LYS 11 11.243 1.807 8.858 88 HZ2 LYS 11 HZ2 LYS 11 10.969 0.264 9.488 89 HZ3 LYS 11 HZ3 LYS 11 9.855 0.973 8.425 90 H LYS 12 H LYS 12 13.845 -0.857 2.617 91 HA LYS 12 HA LYS 12 13.304 -2.444 0.470 92 HB2 LYS 12 HB2 LYS 12 15.389 -2.394 1.743 93 HB3 LYS 12 HB3 LYS 12 14.613 -3.292 3.037 94 HG2 LYS 12 HG2 LYS 12 14.266 -5.161 1.496 95 HG3 LYS 12 HG3 LYS 12 15.093 -4.252 0.230 96 HD2 LYS 12 HD2 LYS 12 17.109 -4.167 1.595 97 HD3 LYS 12 HD3 LYS 12 16.282 -5.049 2.881 98 HE2 LYS 12 HE2 LYS 12 16.875 -6.057 0.107 99 HE3 LYS 12 HE3 LYS 12 17.687 -6.542 1.590 100 HZ1 LYS 12 HZ1 LYS 12 15.487 -7.348 2.385 101 HZ2 LYS 12 HZ2 LYS 12 16.111 -8.177 1.050 102 HZ3 LYS 12 HZ3 LYS 12 14.859 -7.083 0.827 103 H ASN 13 H ASN 13 12.277 -3.163 3.791 104 HA ASN 13 HA ASN 13 10.348 -4.988 2.574 105 HB2 ASN 13 HB2 ASN 13 11.984 -5.825 4.978 106 HB3 ASN 13 HB3 ASN 13 10.671 -6.745 4.262 107 HD21 ASN 13 HD21 ASN 13 10.995 -7.621 2.128 108 HD22 ASN 13 HD22 ASN 13 12.578 -7.845 1.505 109 HA PRO 14 HA PRO 14 8.108 -2.589 5.561 110 HB2 PRO 14 HB2 PRO 14 6.148 -1.864 3.893 111 HB3 PRO 14 HB3 PRO 14 7.707 -1.038 3.939 112 HG2 PRO 14 HG2 PRO 14 6.620 -2.892 1.912 113 HG3 PRO 14 HG3 PRO 14 7.827 -1.611 1.736 114 HD2 PRO 14 HD2 PRO 14 8.274 -4.400 1.996 115 HD3 PRO 14 HD3 PRO 14 9.486 -3.106 1.951 116 H SER 15 H SER 15 6.629 -3.408 6.854 117 HA SER 15 HA SER 15 5.016 -5.658 6.003 118 HB2 SER 15 HB2 SER 15 5.322 -4.350 8.722 119 HB3 SER 15 HB3 SER 15 4.522 -5.888 8.389 120 HG SER 15 HG SER 15 7.220 -5.259 8.489 121 H GLU 16 H GLU 16 2.658 -5.382 7.260 122 HA GLU 16 HA GLU 16 1.240 -3.682 5.636 123 HB2 GLU 16 HB2 GLU 16 0.469 -4.944 8.225 124 HB3 GLU 16 HB3 GLU 16 -0.641 -3.943 7.304 125 HG2 GLU 16 HG2 GLU 16 -0.401 -5.455 5.404 126 HG3 GLU 16 HG3 GLU 16 0.676 -6.473 6.362 127 H GLY 17 H GLY 17 2.510 -2.869 8.850 128 HA2 GLY 17 HA2 GLY 17 0.982 -0.506 9.177 129 HA3 GLY 17 HA3 GLY 17 2.524 -0.837 9.961 130 H GLU 18 H GLU 18 4.284 -0.953 8.080 131 HA GLU 18 HA GLU 18 4.893 1.640 7.258 132 HB2 GLU 18 HB2 GLU 18 5.786 -0.948 5.979 133 HB3 GLU 18 HB3 GLU 18 6.549 0.614 5.756 134 HG2 GLU 18 HG2 GLU 18 6.371 -0.891 8.352 135 HG3 GLU 18 HG3 GLU 18 7.774 -0.838 7.293 136 H CYS 19 H CYS 19 3.567 -1.069 5.398 137 HA CYS 19 HA CYS 19 3.287 0.301 3.004 138 HB2 CYS 19 HB2 CYS 19 1.850 -2.142 4.015 139 HB3 CYS 19 HB3 CYS 19 1.647 -1.508 2.386 140 H LYS 20 H LYS 20 0.755 -0.223 5.540 141 HA LYS 20 HA LYS 20 -1.229 1.083 4.072 142 HB2 LYS 20 HB2 LYS 20 -0.971 0.774 7.063 143 HB3 LYS 20 HB3 LYS 20 -2.355 1.529 6.300 144 HG2 LYS 20 HG2 LYS 20 -2.693 -0.644 5.044 145 HG3 LYS 20 HG3 LYS 20 -1.478 -1.346 6.120 146 HD2 LYS 20 HD2 LYS 20 -2.812 -0.719 8.052 147 HD3 LYS 20 HD3 LYS 20 -4.012 0.026 7.002 148 HE2 LYS 20 HE2 LYS 20 -4.901 -2.080 7.604 149 HE3 LYS 20 HE3 LYS 20 -4.313 -2.266 5.954 150 HZ1 LYS 20 HZ1 LYS 20 -2.299 -3.346 6.896 151 HZ2 LYS 20 HZ2 LYS 20 -3.716 -4.151 7.325 152 HZ3 LYS 20 HZ3 LYS 20 -2.969 -3.155 8.431 153 H LYS 21 H LYS 21 1.172 2.391 6.294 154 HA LYS 21 HA LYS 21 0.190 5.032 6.320 155 HB2 LYS 21 HB2 LYS 21 1.982 4.034 7.826 156 HB3 LYS 21 HB3 LYS 21 3.104 4.191 6.494 157 HG2 LYS 21 HG2 LYS 21 1.675 6.524 7.786 158 HG3 LYS 21 HG3 LYS 21 3.275 5.973 8.260 159 HD2 LYS 21 HD2 LYS 21 4.066 6.450 5.963 160 HD3 LYS 21 HD3 LYS 21 2.463 7.054 5.556 161 HE2 LYS 21 HE2 LYS 21 4.286 8.198 7.682 162 HE3 LYS 21 HE3 LYS 21 4.033 8.875 6.077 163 HZ1 LYS 21 HZ1 LYS 21 1.711 9.252 6.638 164 HZ2 LYS 21 HZ2 LYS 21 2.705 10.015 7.736 165 HZ3 LYS 21 HZ3 LYS 21 1.934 8.598 8.172 166 H ALA 22 H ALA 22 2.542 3.421 4.217 167 HA ALA 22 HA ALA 22 3.119 5.664 2.612 168 HB1 ALA 22 HB1 ALA 22 3.356 2.743 1.913 169 HB2 ALA 22 HB2 ALA 22 4.584 3.712 2.729 170 HB3 ALA 22 HB3 ALA 22 4.130 4.080 1.065 171 H CYS 23 H CYS 23 0.890 2.957 2.157 172 HA CYS 23 HA CYS 23 -0.162 3.593 -0.334 173 HB2 CYS 23 HB2 CYS 23 -1.543 2.326 2.037 174 HB3 CYS 23 HB3 CYS 23 -2.169 2.325 0.397 175 H ALA 24 H ALA 24 -1.150 4.675 2.888 176 HA ALA 24 HA ALA 24 -3.377 6.178 2.126 177 HB1 ALA 24 HB1 ALA 24 -3.104 7.263 4.281 178 HB2 ALA 24 HB2 ALA 24 -1.461 6.634 4.399 179 HB3 ALA 24 HB3 ALA 24 -2.830 5.524 4.423 180 H ASP 25 H ASP 25 -0.116 7.197 2.927 181 HA ASP 25 HA ASP 25 -0.245 9.891 2.323 182 HB2 ASP 25 HB2 ASP 25 1.582 8.895 3.541 183 HB3 ASP 25 HB3 ASP 25 2.055 7.956 2.140 184 H ALA 26 H ALA 26 0.413 7.190 0.173 185 HA ALA 26 HA ALA 26 1.127 8.834 -2.039 186 HB1 ALA 26 HB1 ALA 26 1.283 6.783 -3.305 187 HB2 ALA 26 HB2 ALA 26 0.476 5.898 -2.011 188 HB3 ALA 26 HB3 ALA 26 2.072 6.596 -1.739 189 H PHE 27 H PHE 27 -1.925 7.571 -0.866 190 HA PHE 27 HA PHE 27 -3.039 8.330 -3.478 191 HB2 PHE 27 HB2 PHE 27 -3.765 5.925 -1.870 192 HB3 PHE 27 HB3 PHE 27 -4.855 6.592 -3.084 193 HD1 PHE 27 HD1 PHE 27 -2.055 4.456 -2.510 194 HD2 PHE 27 HD2 PHE 27 -3.924 6.946 -5.424 195 HE1 PHE 27 HE1 PHE 27 -0.874 3.296 -4.258 196 HE2 PHE 27 HE2 PHE 27 -2.712 5.778 -7.197 197 HZ PHE 27 HZ PHE 27 -1.174 3.944 -6.625 198 H ALA 28 H ALA 28 -3.812 8.135 -0.076 199 HA ALA 28 HA ALA 28 -6.097 9.885 -0.633 200 HB1 ALA 28 HB1 ALA 28 -6.962 9.186 1.528 201 HB2 ALA 28 HB2 ALA 28 -5.511 8.228 1.821 202 HB3 ALA 28 HB3 ALA 28 -6.618 7.778 0.522 203 H ASN 29 H ASN 29 -3.100 10.308 -0.265 204 HA ASN 29 HA ASN 29 -1.714 11.953 0.374 205 HB2 ASN 29 HB2 ASN 29 -4.263 13.426 1.060 206 HB3 ASN 29 HB3 ASN 29 -2.666 14.158 0.979 207 HD21 ASN 29 HD21 ASN 29 -1.773 14.559 -1.005 208 HD22 ASN 29 HD22 ASN 29 -2.660 14.434 -2.485 209 H GLY 30 H GLY 30 -3.125 10.112 2.500 210 HA2 GLY 30 HA2 GLY 30 -1.505 10.141 4.555 211 HA3 GLY 30 HA3 GLY 30 -2.365 11.643 4.867 212 H ASP 31 H ASP 31 -4.890 10.467 3.754 213 HA ASP 31 HA ASP 31 -5.802 9.405 6.213 214 HB2 ASP 31 HB2 ASP 31 -7.399 10.652 4.937 215 HB3 ASP 31 HB3 ASP 31 -7.193 9.601 3.540 216 H GLN 32 H GLN 32 -5.572 7.451 6.942 217 HA GLN 32 HA GLN 32 -4.751 5.346 5.114 218 HB2 GLN 32 HB2 GLN 32 -5.036 5.170 8.113 219 HB3 GLN 32 HB3 GLN 32 -4.185 4.048 7.063 220 HG2 GLN 32 HG2 GLN 32 -2.616 5.897 6.488 221 HG3 GLN 32 HG3 GLN 32 -3.429 6.878 7.701 222 HE21 GLN 32 HE21 GLN 32 -0.702 6.108 7.624 223 HE22 GLN 32 HE22 GLN 32 -0.366 5.189 9.043 224 H SER 33 H SER 33 -7.635 6.461 6.317 225 HA SER 33 HA SER 33 -8.939 4.024 6.945 226 HB2 SER 33 HB2 SER 33 -10.309 6.510 6.004 227 HB3 SER 33 HB3 SER 33 -10.831 5.359 7.240 228 HG SER 33 HG SER 33 -9.175 7.512 7.342 229 H LYS 34 H LYS 34 -8.416 5.902 4.034 230 HA LYS 34 HA LYS 34 -10.366 4.615 2.415 231 HB2 LYS 34 HB2 LYS 34 -9.312 6.908 2.071 232 HB3 LYS 34 HB3 LYS 34 -7.888 6.068 1.486 233 HG2 LYS 34 HG2 LYS 34 -9.220 6.834 -0.373 234 HG3 LYS 34 HG3 LYS 34 -9.225 5.065 -0.290 235 HD2 LYS 34 HD2 LYS 34 -11.422 5.047 0.695 236 HD3 LYS 34 HD3 LYS 34 -11.412 6.803 0.860 237 HE2 LYS 34 HE2 LYS 34 -11.344 5.292 -1.745 238 HE3 LYS 34 HE3 LYS 34 -12.792 5.991 -1.031 239 HZ1 LYS 34 HZ1 LYS 34 -10.390 7.510 -1.930 240 HZ2 LYS 34 HZ2 LYS 34 -11.740 8.181 -1.192 241 HZ3 LYS 34 HZ3 LYS 34 -11.884 7.472 -2.695 242 H ILE 35 H ILE 35 -7.328 3.731 3.539 243 HA ILE 35 HA ILE 35 -6.942 1.698 1.474 244 HB ILE 35 HB ILE 35 -5.132 2.409 3.806 245 HG12 ILE 35 HG12 ILE 35 -5.239 4.282 2.235 246 HG13 ILE 35 HG13 ILE 35 -3.668 3.498 2.130 247 HG21 ILE 35 HG21 ILE 35 -3.432 1.065 2.617 248 HG22 ILE 35 HG22 ILE 35 -4.640 0.639 1.402 249 HG23 ILE 35 HG23 ILE 35 -4.844 0.105 3.060 250 HD11 ILE 35 HD11 ILE 35 -4.475 4.104 -0.069 251 HD12 ILE 35 HD12 ILE 35 -5.959 3.194 0.197 252 HD13 ILE 35 HD13 ILE 35 -4.416 2.346 0.082 253 H ALA 36 H ALA 36 -7.826 -0.170 1.853 254 HA ALA 36 HA ALA 36 -8.892 -0.751 4.476 255 HB1 ALA 36 HB1 ALA 36 -10.292 -1.101 2.533 256 HB2 ALA 36 HB2 ALA 36 -9.957 -2.646 3.333 257 HB3 ALA 36 HB3 ALA 36 -9.096 -2.205 1.863 258 H LYS 37 H LYS 37 -6.919 -2.476 2.095 259 HA LYS 37 HA LYS 37 -5.744 -4.005 4.320 260 HB2 LYS 37 HB2 LYS 37 -6.201 -5.008 1.500 261 HB3 LYS 37 HB3 LYS 37 -5.613 -5.928 2.863 262 HG2 LYS 37 HG2 LYS 37 -7.761 -5.861 3.917 263 HG3 LYS 37 HG3 LYS 37 -8.364 -4.737 2.690 264 HD2 LYS 37 HD2 LYS 37 -8.004 -6.440 0.963 265 HD3 LYS 37 HD3 LYS 37 -7.430 -7.560 2.193 266 HE2 LYS 37 HE2 LYS 37 -10.198 -6.362 2.069 267 HE3 LYS 37 HE3 LYS 37 -9.768 -7.980 1.529 268 HZ1 LYS 37 HZ1 LYS 37 -9.632 -6.950 4.316 269 HZ2 LYS 37 HZ2 LYS 37 -9.075 -8.459 3.840 270 HZ3 LYS 37 HZ3 LYS 37 -10.718 -8.092 3.701 271 H ALA 38 H ALA 38 -3.599 -4.950 3.627 272 HA ALA 38 HA ALA 38 -2.199 -3.602 1.530 273 HB1 ALA 38 HB1 ALA 38 -0.421 -2.757 2.993 274 HB2 ALA 38 HB2 ALA 38 -1.362 -3.233 4.411 275 HB3 ALA 38 HB3 ALA 38 -1.965 -1.973 3.329 276 H GLU 39 H GLU 39 -0.437 -4.769 0.928 277 HA GLU 39 HA GLU 39 0.331 -7.089 2.523 278 HB2 GLU 39 HB2 GLU 39 -1.423 -7.845 0.971 279 HB3 GLU 39 HB3 GLU 39 -0.550 -7.153 -0.381 280 HG2 GLU 39 HG2 GLU 39 1.273 -8.747 -0.003 281 HG3 GLU 39 HG3 GLU 39 0.374 -9.424 1.352 282 H ASN 40 H ASN 40 2.517 -7.703 2.061 283 HA ASN 40 HA ASN 40 4.083 -5.659 0.809 284 HB2 ASN 40 HB2 ASN 40 5.094 -6.942 2.648 285 HB3 ASN 40 HB3 ASN 40 4.861 -8.443 1.755 286 HD21 ASN 40 HD21 ASN 40 6.765 -5.544 2.011 287 HD22 ASN 40 HD22 ASN 40 8.000 -6.047 0.910 288 H PHE 41 H PHE 41 4.530 -5.530 -1.266 289 HA PHE 41 HA PHE 41 3.378 -7.566 -2.985 290 HB2 PHE 41 HB2 PHE 41 2.875 -5.235 -3.503 291 HB3 PHE 41 HB3 PHE 41 4.586 -4.865 -3.602 292 HD1 PHE 41 HD1 PHE 41 1.789 -6.594 -5.269 293 HD2 PHE 41 HD2 PHE 41 5.847 -5.333 -5.566 294 HE1 PHE 41 HE1 PHE 41 1.773 -7.072 -7.680 295 HE2 PHE 41 HE2 PHE 41 5.853 -5.810 -7.931 296 HZ PHE 41 HZ PHE 41 3.799 -6.676 -9.023 297 H LYS 42 H LYS 42 6.491 -6.109 -2.236 298 HA LYS 42 HA LYS 42 8.044 -8.299 -3.007 299 HB2 LYS 42 HB2 LYS 42 7.190 -7.412 -5.275 300 HB3 LYS 42 HB3 LYS 42 8.031 -5.925 -4.917 301 HG2 LYS 42 HG2 LYS 42 9.296 -7.214 -6.448 302 HG3 LYS 42 HG3 LYS 42 10.143 -7.142 -4.915 303 HD2 LYS 42 HD2 LYS 42 10.337 -9.393 -5.751 304 HD3 LYS 42 HD3 LYS 42 9.210 -9.434 -4.405 305 HE2 LYS 42 HE2 LYS 42 8.146 -9.120 -7.184 306 HE3 LYS 42 HE3 LYS 42 8.689 -10.704 -6.660 307 HZ1 LYS 42 HZ1 LYS 42 6.557 -9.123 -5.245 308 HZ2 LYS 42 HZ2 LYS 42 7.055 -10.707 -4.956 309 HZ3 LYS 42 HZ3 LYS 42 6.328 -10.328 -6.396 310 H ASP 43 H ASP 43 10.471 -7.338 -2.950 311 HA ASP 43 HA ASP 43 10.734 -5.614 -0.743 312 HB2 ASP 43 HB2 ASP 43 12.755 -6.280 -2.926 313 HB3 ASP 43 HB3 ASP 43 13.128 -5.305 -1.522 314 H TYR 44 H TYR 44 10.725 -3.511 -0.581 315 HA TYR 44 HA TYR 44 10.457 -1.321 -1.052 316 HB2 TYR 44 HB2 TYR 44 11.859 -2.085 -3.620 317 HB3 TYR 44 HB3 TYR 44 11.328 -0.442 -3.295 318 HD1 TYR 44 HD1 TYR 44 13.790 -3.014 -2.506 319 HD2 TYR 44 HD2 TYR 44 12.364 0.859 -1.538 320 HE1 TYR 44 HE1 TYR 44 15.863 -2.572 -1.295 321 HE2 TYR 44 HE2 TYR 44 14.428 1.338 -0.317 322 HH TYR 44 HH TYR 44 17.192 -0.609 -0.536 323 H TYR 45 H TYR 45 8.372 -3.423 -1.927 324 HA TYR 45 HA TYR 45 6.709 -1.430 -3.263 325 HB2 TYR 45 HB2 TYR 45 7.096 -4.258 -4.208 326 HB3 TYR 45 HB3 TYR 45 5.710 -3.280 -4.659 327 HD1 TYR 45 HD1 TYR 45 6.114 -1.156 -5.933 328 HD2 TYR 45 HD2 TYR 45 9.143 -4.086 -5.395 329 HE1 TYR 45 HE1 TYR 45 7.337 -0.234 -7.848 330 HE2 TYR 45 HE2 TYR 45 10.379 -3.172 -7.300 331 HH TYR 45 HH TYR 45 9.692 -0.188 -8.659 332 H CYS 46 H CYS 46 4.688 -1.371 -2.627 333 HA CYS 46 HA CYS 46 3.758 -3.467 -0.772 334 HB2 CYS 46 HB2 CYS 46 3.279 -0.488 -0.585 335 HB3 CYS 46 HB3 CYS 46 2.367 -1.676 0.335 336 H ASN 47 H ASN 47 1.746 -4.246 -1.087 337 HA ASN 47 HA ASN 47 0.367 -3.271 -3.460 338 HB2 ASN 47 HB2 ASN 47 0.847 -5.730 -3.280 339 HB3 ASN 47 HB3 ASN 47 -0.142 -5.766 -1.823 340 HD21 ASN 47 HD21 ASN 47 -1.603 -7.193 -2.726 341 HD22 ASN 47 HD22 ASN 47 -2.730 -6.708 -3.934 342 H CYS 48 H CYS 48 -0.993 -1.747 -3.017 343 HA CYS 48 HA CYS 48 -2.167 -1.511 -0.376 344 HB2 CYS 48 HB2 CYS 48 -2.254 0.302 -2.772 345 HB3 CYS 48 HB3 CYS 48 -2.756 0.697 -1.130 346 H HIS 49 H HIS 49 -4.348 -1.770 -0.020 347 HA HIS 49 HA HIS 49 -5.921 -2.478 -2.372 348 HB2 HIS 49 HB2 HIS 49 -6.283 -3.217 0.522 349 HB3 HIS 49 HB3 HIS 49 -7.408 -3.669 -0.757 350 HD1 HIS 49 HD3 HIS 49 -7.028 -6.012 -1.618 351 HD2 HIS 49 HD2 HIS 49 -3.569 -4.335 -0.048 352 HE1 HIS 49 HE1 HIS 49 -5.318 -7.828 -1.654 353 H ILE 50 H ILE 50 -6.610 -0.597 -2.927 354 HA ILE 50 HA ILE 50 -7.370 1.386 -0.946 355 HB ILE 50 HB ILE 50 -7.551 1.689 -3.944 356 HG12 ILE 50 HG12 ILE 50 -5.102 2.245 -2.249 357 HG13 ILE 50 HG13 ILE 50 -5.274 0.826 -3.274 358 HG21 ILE 50 HG21 ILE 50 -8.556 3.420 -2.521 359 HG22 ILE 50 HG22 ILE 50 -7.114 4.049 -3.346 360 HG23 ILE 50 HG23 ILE 50 -7.026 3.556 -1.650 361 HD11 ILE 50 HD11 ILE 50 -3.944 2.543 -4.345 362 HD12 ILE 50 HD12 ILE 50 -5.283 3.684 -4.206 363 HD13 ILE 50 HD13 ILE 50 -5.439 2.256 -5.233 364 H ILE 51 H ILE 51 -9.467 1.936 -0.538 365 HA ILE 51 HA ILE 51 -11.536 0.268 -1.558 366 HB ILE 51 HB ILE 51 -11.727 2.820 0.084 367 HG12 ILE 51 HG12 ILE 51 -11.850 -0.085 0.942 368 HG13 ILE 51 HG13 ILE 51 -10.466 0.976 1.167 369 HG21 ILE 51 HG21 ILE 51 -13.999 2.068 0.629 370 HG22 ILE 51 HG22 ILE 51 -13.805 0.681 -0.441 371 HG23 ILE 51 HG23 ILE 51 -13.820 2.313 -1.108 372 HD11 ILE 51 HD11 ILE 51 -11.735 0.729 3.217 373 HD12 ILE 51 HD12 ILE 51 -13.185 1.315 2.405 374 HD13 ILE 51 HD13 ILE 51 -11.810 2.393 2.638 375 H ILE 52 H ILE 52 -12.365 0.483 -3.447 376 HA ILE 52 HA ILE 52 -12.198 3.061 -4.832 377 HB ILE 52 HB ILE 52 -12.486 0.244 -5.885 378 HG12 ILE 52 HG12 ILE 52 -10.238 0.708 -5.106 379 HG13 ILE 52 HG13 ILE 52 -10.254 0.621 -6.862 380 HG21 ILE 52 HG21 ILE 52 -12.231 1.189 -8.130 381 HG22 ILE 52 HG22 ILE 52 -12.361 2.811 -7.435 382 HG23 ILE 52 HG23 ILE 52 -13.724 1.700 -7.339 383 HD11 ILE 52 HD11 ILE 52 -10.139 3.133 -5.196 384 HD12 ILE 52 HD12 ILE 52 -10.213 3.080 -6.956 385 HD13 ILE 52 HD13 ILE 52 -8.818 2.409 -6.111 386 H HIS 53 H HIS 53 -14.386 0.584 -3.726 387 HA HIS 53 HA HIS 53 -16.598 2.288 -4.431 388 HB2 HIS 53 HB2 HIS 53 -16.185 0.598 -6.305 389 HB3 HIS 53 HB3 HIS 53 -16.579 -0.656 -5.138 390 HD1 HIS 53 HD3 HIS 53 -19.060 -1.090 -4.712 391 HD2 HIS 53 HD2 HIS 53 -18.319 2.284 -7.009 392 HE1 HIS 53 HE1 HIS 53 -21.311 -0.349 -5.599 Start of MODEL 15 1 H1 GLU 1 1HT GLU 1 -10.516 -6.751 -3.313 2 H2 GLU 1 2HT GLU 1 -11.740 -7.783 -2.818 3 H3 GLU 1 3HT GLU 1 -11.520 -6.274 -2.052 4 HA GLU 1 HA GLU 1 -12.331 -6.594 -4.867 5 HB2 GLU 1 HB2 GLU 1 -13.900 -5.942 -2.382 6 HB3 GLU 1 HB3 GLU 1 -14.506 -5.692 -4.016 7 HG2 GLU 1 HG2 GLU 1 -14.094 -8.059 -4.446 8 HG3 GLU 1 HG3 GLU 1 -13.710 -8.272 -2.746 9 H GLU 2 H GLU 2 -10.170 -5.106 -3.889 10 HA GLU 2 HA GLU 2 -11.179 -2.352 -4.021 11 HB2 GLU 2 HB2 GLU 2 -8.705 -3.333 -2.567 12 HB3 GLU 2 HB3 GLU 2 -9.285 -1.683 -2.628 13 HG2 GLU 2 HG2 GLU 2 -9.799 -2.517 -0.464 14 HG3 GLU 2 HG3 GLU 2 -11.319 -2.472 -1.348 15 H THR 3 H THR 3 -9.373 -0.910 -4.876 16 HA THR 3 HA THR 3 -8.195 -2.156 -7.175 17 HB THR 3 HB THR 3 -7.825 0.626 -6.069 18 HG1 THR 3 HG1 THR 3 -9.704 1.064 -6.981 19 HG21 THR 3 HG21 THR 3 -7.317 -0.449 -8.854 20 HG22 THR 3 HG22 THR 3 -6.075 -0.061 -7.672 21 HG23 THR 3 HG23 THR 3 -7.085 1.221 -8.338 22 H GLU 4 H GLU 4 -6.474 -3.306 -6.902 23 HA GLU 4 HA GLU 4 -4.738 -2.896 -4.646 24 HB2 GLU 4 HB2 GLU 4 -4.812 -5.006 -6.784 25 HB3 GLU 4 HB3 GLU 4 -3.590 -4.946 -5.519 26 HG2 GLU 4 HG2 GLU 4 -5.306 -5.152 -3.816 27 HG3 GLU 4 HG3 GLU 4 -6.553 -5.148 -5.060 28 H GLU 5 H GLU 5 -3.430 -1.364 -4.799 29 HA GLU 5 HA GLU 5 -2.039 -0.754 -7.311 30 HB2 GLU 5 HB2 GLU 5 -2.685 0.858 -4.870 31 HB3 GLU 5 HB3 GLU 5 -1.549 1.428 -6.073 32 HG2 GLU 5 HG2 GLU 5 -4.419 0.714 -6.599 33 HG3 GLU 5 HG3 GLU 5 -3.812 2.349 -6.335 34 HA PRO 6 HA PRO 6 1.514 -2.288 -4.897 35 HB2 PRO 6 HB2 PRO 6 2.800 -2.542 -7.490 36 HB3 PRO 6 HB3 PRO 6 2.449 -3.805 -6.308 37 HG2 PRO 6 HG2 PRO 6 1.159 -3.645 -8.698 38 HG3 PRO 6 HG3 PRO 6 0.393 -4.293 -7.237 39 HD2 PRO 6 HD2 PRO 6 0.125 -1.582 -8.479 40 HD3 PRO 6 HD3 PRO 6 -1.122 -2.622 -7.756 41 H ILE 7 H ILE 7 2.375 -0.562 -4.071 42 HA ILE 7 HA ILE 7 3.285 1.639 -5.783 43 HB ILE 7 HB ILE 7 3.254 3.083 -3.794 44 HG12 ILE 7 HG12 ILE 7 2.337 0.739 -2.168 45 HG13 ILE 7 HG13 ILE 7 4.060 1.089 -2.308 46 HG21 ILE 7 HG21 ILE 7 0.836 1.381 -3.978 47 HG22 ILE 7 HG22 ILE 7 1.208 2.843 -4.908 48 HG23 ILE 7 HG23 ILE 7 0.993 2.925 -3.148 49 HD11 ILE 7 HD11 ILE 7 3.141 2.043 -0.308 50 HD12 ILE 7 HD12 ILE 7 1.943 2.937 -1.278 51 HD13 ILE 7 HD13 ILE 7 3.673 3.289 -1.449 52 H ARG 8 H ARG 8 5.284 2.651 -5.273 53 HA ARG 8 HA ARG 8 7.393 0.715 -4.711 54 HB2 ARG 8 HB2 ARG 8 7.659 3.624 -5.535 55 HB3 ARG 8 HB3 ARG 8 8.921 2.407 -5.530 56 HG2 ARG 8 HG2 ARG 8 7.774 1.190 -7.284 57 HG3 ARG 8 HG3 ARG 8 6.513 2.435 -7.314 58 HD2 ARG 8 HD2 ARG 8 9.443 2.834 -7.900 59 HD3 ARG 8 HD3 ARG 8 8.154 2.760 -9.097 60 HE ARG 8 HE ARG 8 7.493 4.774 -7.312 61 HH11 ARG 8 HH11 ARG 8 10.000 4.115 -9.738 62 HH12 ARG 8 HH12 ARG 8 10.359 5.763 -10.000 63 HH21 ARG 8 HH21 ARG 8 8.003 7.060 -7.718 64 HH22 ARG 8 HH22 ARG 8 9.224 7.424 -8.854 65 H HIS 9 H HIS 9 8.127 0.547 -2.695 66 HA HIS 9 HA HIS 9 7.842 2.866 -0.896 67 HB2 HIS 9 HB2 HIS 9 6.428 0.819 -0.390 68 HB3 HIS 9 HB3 HIS 9 7.921 -0.070 -0.143 69 HD1 HIS 9 HD3 HIS 9 9.425 0.853 1.954 70 HD2 HIS 9 HD2 HIS 9 5.487 2.124 1.761 71 HE1 HIS 9 HE1 HIS 9 8.872 1.739 4.242 72 H ALA 10 H ALA 10 9.675 3.406 0.334 73 HA ALA 10 HA ALA 10 12.145 2.212 -0.610 74 HB1 ALA 10 HB1 ALA 10 13.285 4.111 0.422 75 HB2 ALA 10 HB2 ALA 10 11.763 4.663 1.121 76 HB3 ALA 10 HB3 ALA 10 11.985 4.674 -0.629 77 H LYS 11 H LYS 11 11.720 0.284 0.430 78 HA LYS 11 HA LYS 11 13.143 -0.158 2.801 79 HB2 LYS 11 HB2 LYS 11 11.010 0.734 3.796 80 HB3 LYS 11 HB3 LYS 11 10.122 -0.492 2.925 81 HG2 LYS 11 HG2 LYS 11 10.276 -1.132 5.203 82 HG3 LYS 11 HG3 LYS 11 11.300 -2.217 4.264 83 HD2 LYS 11 HD2 LYS 11 13.268 -1.008 4.971 84 HD3 LYS 11 HD3 LYS 11 12.271 0.186 5.802 85 HE2 LYS 11 HE2 LYS 11 12.395 -2.757 6.470 86 HE3 LYS 11 HE3 LYS 11 13.233 -1.482 7.350 87 HZ1 LYS 11 HZ1 LYS 11 10.243 -1.660 7.105 88 HZ2 LYS 11 HZ2 LYS 11 11.087 -0.580 8.044 89 HZ3 LYS 11 HZ3 LYS 11 11.144 -2.227 8.382 90 H LYS 12 H LYS 12 13.867 -2.265 2.423 91 HA LYS 12 HA LYS 12 13.043 -3.570 0.052 92 HB2 LYS 12 HB2 LYS 12 15.299 -3.893 1.024 93 HB3 LYS 12 HB3 LYS 12 14.581 -4.761 2.372 94 HG2 LYS 12 HG2 LYS 12 13.798 -6.502 0.855 95 HG3 LYS 12 HG3 LYS 12 14.493 -5.631 -0.511 96 HD2 LYS 12 HD2 LYS 12 16.707 -5.841 0.488 97 HD3 LYS 12 HD3 LYS 12 16.023 -6.721 1.850 98 HE2 LYS 12 HE2 LYS 12 15.976 -7.605 -1.037 99 HE3 LYS 12 HE3 LYS 12 17.043 -8.235 0.212 100 HZ1 LYS 12 HZ1 LYS 12 14.082 -8.518 0.067 101 HZ2 LYS 12 HZ2 LYS 12 15.009 -8.965 1.413 102 HZ3 LYS 12 HZ3 LYS 12 15.242 -9.738 -0.055 103 H ASN 13 H ASN 13 12.452 -4.272 3.427 104 HA ASN 13 HA ASN 13 10.104 -5.805 2.586 105 HB2 ASN 13 HB2 ASN 13 11.767 -7.317 3.577 106 HB3 ASN 13 HB3 ASN 13 11.842 -6.310 5.016 107 HD21 ASN 13 HD21 ASN 13 9.909 -8.547 3.196 108 HD22 ASN 13 HD22 ASN 13 8.798 -8.929 4.473 109 HA PRO 14 HA PRO 14 8.578 -2.372 5.115 110 HB2 PRO 14 HB2 PRO 14 6.305 -2.333 3.323 111 HB3 PRO 14 HB3 PRO 14 7.503 -1.069 3.603 112 HG2 PRO 14 HG2 PRO 14 7.294 -2.478 1.266 113 HG3 PRO 14 HG3 PRO 14 8.793 -1.730 1.831 114 HD2 PRO 14 HD2 PRO 14 7.924 -4.573 1.962 115 HD3 PRO 14 HD3 PRO 14 9.535 -3.897 1.660 116 H SER 15 H SER 15 7.269 -2.599 6.713 117 HA SER 15 HA SER 15 5.791 -5.035 7.092 118 HB2 SER 15 HB2 SER 15 5.992 -2.549 8.806 119 HB3 SER 15 HB3 SER 15 5.362 -4.113 9.318 120 HG SER 15 HG SER 15 7.975 -3.739 8.312 121 H GLU 16 H GLU 16 3.486 -4.921 7.781 122 HA GLU 16 HA GLU 16 1.803 -3.900 5.875 123 HB2 GLU 16 HB2 GLU 16 -0.026 -4.268 7.550 124 HB3 GLU 16 HB3 GLU 16 1.040 -5.641 7.291 125 HG2 GLU 16 HG2 GLU 16 2.214 -5.168 9.338 126 HG3 GLU 16 HG3 GLU 16 1.267 -3.703 9.574 127 H GLY 17 H GLY 17 2.571 -2.376 9.016 128 HA2 GLY 17 HA2 GLY 17 0.750 -0.235 8.710 129 HA3 GLY 17 HA3 GLY 17 2.096 -0.297 9.836 130 H GLU 18 H GLU 18 4.136 -0.659 7.920 131 HA GLU 18 HA GLU 18 4.695 2.022 7.249 132 HB2 GLU 18 HB2 GLU 18 5.939 -0.484 6.066 133 HB3 GLU 18 HB3 GLU 18 6.617 1.133 5.979 134 HG2 GLU 18 HG2 GLU 18 6.831 1.140 8.438 135 HG3 GLU 18 HG3 GLU 18 6.233 -0.515 8.474 136 H CYS 19 H CYS 19 3.715 -0.750 5.288 137 HA CYS 19 HA CYS 19 3.412 0.571 2.859 138 HB2 CYS 19 HB2 CYS 19 1.919 -1.852 3.915 139 HB3 CYS 19 HB3 CYS 19 1.846 -1.276 2.274 140 H LYS 20 H LYS 20 0.930 -0.178 5.300 141 HA LYS 20 HA LYS 20 -1.343 0.833 4.118 142 HB2 LYS 20 HB2 LYS 20 -1.118 -0.504 6.218 143 HB3 LYS 20 HB3 LYS 20 -0.559 0.932 7.033 144 HG2 LYS 20 HG2 LYS 20 -2.814 0.521 7.658 145 HG3 LYS 20 HG3 LYS 20 -2.799 1.951 6.627 146 HD2 LYS 20 HD2 LYS 20 -3.833 0.840 4.875 147 HD3 LYS 20 HD3 LYS 20 -3.298 -0.746 5.432 148 HE2 LYS 20 HE2 LYS 20 -5.709 -0.480 5.791 149 HE3 LYS 20 HE3 LYS 20 -4.854 -0.619 7.318 150 HZ1 LYS 20 HZ1 LYS 20 -5.052 1.838 7.548 151 HZ2 LYS 20 HZ2 LYS 20 -6.509 1.022 7.474 152 HZ3 LYS 20 HZ3 LYS 20 -6.019 1.862 6.143 153 H LYS 21 H LYS 21 0.987 2.481 6.167 154 HA LYS 21 HA LYS 21 -0.359 4.964 6.268 155 HB2 LYS 21 HB2 LYS 21 1.245 3.923 7.887 156 HB3 LYS 21 HB3 LYS 21 2.536 4.392 6.805 157 HG2 LYS 21 HG2 LYS 21 2.059 6.720 7.146 158 HG3 LYS 21 HG3 LYS 21 0.610 6.322 8.076 159 HD2 LYS 21 HD2 LYS 21 3.412 5.530 8.839 160 HD3 LYS 21 HD3 LYS 21 2.551 6.919 9.518 161 HE2 LYS 21 HE2 LYS 21 0.839 5.378 10.407 162 HE3 LYS 21 HE3 LYS 21 1.710 4.010 9.729 163 HZ1 LYS 21 HZ1 LYS 21 2.810 5.848 11.767 164 HZ2 LYS 21 HZ2 LYS 21 3.524 4.406 11.201 165 HZ3 LYS 21 HZ3 LYS 21 2.119 4.349 12.095 166 H ALA 22 H ALA 22 2.336 3.702 4.291 167 HA ALA 22 HA ALA 22 2.853 6.141 2.932 168 HB1 ALA 22 HB1 ALA 22 3.388 3.307 2.037 169 HB2 ALA 22 HB2 ALA 22 4.498 4.327 2.958 170 HB3 ALA 22 HB3 ALA 22 4.068 4.758 1.305 171 H CYS 23 H CYS 23 0.878 3.317 2.187 172 HA CYS 23 HA CYS 23 -0.135 4.017 -0.301 173 HB2 CYS 23 HB2 CYS 23 -1.517 2.615 1.987 174 HB3 CYS 23 HB3 CYS 23 -2.123 2.637 0.340 175 H ALA 24 H ALA 24 -1.196 4.888 2.931 176 HA ALA 24 HA ALA 24 -3.447 6.369 2.278 177 HB1 ALA 24 HB1 ALA 24 -3.164 7.379 4.462 178 HB2 ALA 24 HB2 ALA 24 -1.501 6.785 4.512 179 HB3 ALA 24 HB3 ALA 24 -2.838 5.643 4.519 180 H ASP 25 H ASP 25 -0.170 7.608 3.034 181 HA ASP 25 HA ASP 25 -0.655 10.280 2.400 182 HB2 ASP 25 HB2 ASP 25 1.874 8.689 2.496 183 HB3 ASP 25 HB3 ASP 25 1.911 10.316 1.834 184 H ALA 26 H ALA 26 0.461 7.723 0.280 185 HA ALA 26 HA ALA 26 0.878 9.514 -1.897 186 HB1 ALA 26 HB1 ALA 26 1.396 7.545 -3.198 187 HB2 ALA 26 HB2 ALA 26 0.746 6.508 -1.927 188 HB3 ALA 26 HB3 ALA 26 2.193 7.468 -1.627 189 H PHE 27 H PHE 27 -1.977 8.042 -0.681 190 HA PHE 27 HA PHE 27 -3.166 8.422 -3.339 191 HB2 PHE 27 HB2 PHE 27 -3.596 6.160 -1.446 192 HB3 PHE 27 HB3 PHE 27 -4.864 6.609 -2.585 193 HD1 PHE 27 HD1 PHE 27 -4.410 6.570 -4.988 194 HD2 PHE 27 HD2 PHE 27 -1.609 4.940 -2.202 195 HE1 PHE 27 HE1 PHE 27 -3.335 5.342 -6.782 196 HE2 PHE 27 HE2 PHE 27 -0.561 3.706 -3.996 197 HZ PHE 27 HZ PHE 27 -1.398 3.891 -6.303 198 H ALA 28 H ALA 28 -3.985 8.378 0.098 199 HA ALA 28 HA ALA 28 -6.307 10.041 -0.548 200 HB1 ALA 28 HB1 ALA 28 -5.816 8.329 1.882 201 HB2 ALA 28 HB2 ALA 28 -6.812 7.892 0.492 202 HB3 ALA 28 HB3 ALA 28 -7.284 9.243 1.522 203 H ASN 29 H ASN 29 -3.408 10.691 -0.025 204 HA ASN 29 HA ASN 29 -2.221 12.457 0.741 205 HB2 ASN 29 HB2 ASN 29 -4.953 13.516 1.435 206 HB3 ASN 29 HB3 ASN 29 -3.489 14.416 1.803 207 HD21 ASN 29 HD21 ASN 29 -4.084 16.067 0.455 208 HD22 ASN 29 HD22 ASN 29 -4.040 15.934 -1.266 209 H GLY 30 H GLY 30 -3.285 10.242 2.624 210 HA2 GLY 30 HA2 GLY 30 -1.711 10.121 4.626 211 HA3 GLY 30 HA3 GLY 30 -2.496 11.622 5.102 212 H ASP 31 H ASP 31 -5.079 10.584 3.960 213 HA ASP 31 HA ASP 31 -6.008 9.356 6.326 214 HB2 ASP 31 HB2 ASP 31 -7.599 10.607 5.005 215 HB3 ASP 31 HB3 ASP 31 -7.341 9.547 3.618 216 H GLN 32 H GLN 32 -5.736 7.406 6.960 217 HA GLN 32 HA GLN 32 -4.742 5.395 5.128 218 HB2 GLN 32 HB2 GLN 32 -5.201 5.220 8.107 219 HB3 GLN 32 HB3 GLN 32 -4.268 4.106 7.123 220 HG2 GLN 32 HG2 GLN 32 -2.615 5.833 6.683 221 HG3 GLN 32 HG3 GLN 32 -3.572 7.004 7.583 222 HE21 GLN 32 HE21 GLN 32 -1.410 4.307 7.793 223 HE22 GLN 32 HE22 GLN 32 -1.198 4.366 9.496 224 H SER 33 H SER 33 -7.749 6.409 5.872 225 HA SER 33 HA SER 33 -9.001 3.909 6.568 226 HB2 SER 33 HB2 SER 33 -10.336 6.485 5.795 227 HB3 SER 33 HB3 SER 33 -10.941 5.221 6.873 228 HG SER 33 HG SER 33 -9.261 7.325 7.318 229 H LYS 34 H LYS 34 -8.537 5.934 3.760 230 HA LYS 34 HA LYS 34 -10.385 4.684 1.986 231 HB2 LYS 34 HB2 LYS 34 -9.443 6.927 1.606 232 HB3 LYS 34 HB3 LYS 34 -7.844 6.238 1.462 233 HG2 LYS 34 HG2 LYS 34 -8.726 6.889 -0.707 234 HG3 LYS 34 HG3 LYS 34 -8.493 5.147 -0.624 235 HD2 LYS 34 HD2 LYS 34 -10.858 4.790 -0.339 236 HD3 LYS 34 HD3 LYS 34 -11.147 6.527 -0.195 237 HE2 LYS 34 HE2 LYS 34 -10.462 6.879 -2.473 238 HE3 LYS 34 HE3 LYS 34 -9.991 5.194 -2.648 239 HZ1 LYS 34 HZ1 LYS 34 -12.166 5.696 -3.648 240 HZ2 LYS 34 HZ2 LYS 34 -12.770 6.124 -2.143 241 HZ3 LYS 34 HZ3 LYS 34 -12.278 4.552 -2.434 242 H ILE 35 H ILE 35 -7.438 3.730 3.277 243 HA ILE 35 HA ILE 35 -6.908 1.755 1.174 244 HB ILE 35 HB ILE 35 -5.158 2.514 3.535 245 HG12 ILE 35 HG12 ILE 35 -5.404 4.487 2.118 246 HG13 ILE 35 HG13 ILE 35 -3.784 3.826 1.949 247 HG21 ILE 35 HG21 ILE 35 -3.369 1.410 2.268 248 HG22 ILE 35 HG22 ILE 35 -4.524 1.001 1.003 249 HG23 ILE 35 HG23 ILE 35 -4.702 0.306 2.614 250 HD11 ILE 35 HD11 ILE 35 -4.677 4.557 -0.187 251 HD12 ILE 35 HD12 ILE 35 -6.057 3.471 0.008 252 HD13 ILE 35 HD13 ILE 35 -4.434 2.809 -0.175 253 H ALA 36 H ALA 36 -8.037 -0.028 1.637 254 HA ALA 36 HA ALA 36 -9.082 -0.673 4.207 255 HB1 ALA 36 HB1 ALA 36 -9.757 -2.799 3.219 256 HB2 ALA 36 HB2 ALA 36 -8.739 -2.481 1.814 257 HB3 ALA 36 HB3 ALA 36 -10.135 -1.455 2.143 258 H LYS 37 H LYS 37 -6.425 -1.965 2.336 259 HA LYS 37 HA LYS 37 -5.083 -2.843 4.721 260 HB2 LYS 37 HB2 LYS 37 -6.557 -4.766 4.095 261 HB3 LYS 37 HB3 LYS 37 -5.844 -4.766 2.492 262 HG2 LYS 37 HG2 LYS 37 -3.648 -5.297 3.516 263 HG3 LYS 37 HG3 LYS 37 -4.443 -5.376 5.088 264 HD2 LYS 37 HD2 LYS 37 -5.838 -7.201 4.307 265 HD3 LYS 37 HD3 LYS 37 -5.094 -7.104 2.709 266 HE2 LYS 37 HE2 LYS 37 -2.923 -7.673 3.679 267 HE3 LYS 37 HE3 LYS 37 -3.650 -7.738 5.281 268 HZ1 LYS 37 HZ1 LYS 37 -4.351 -9.493 3.000 269 HZ2 LYS 37 HZ2 LYS 37 -5.050 -9.547 4.527 270 HZ3 LYS 37 HZ3 LYS 37 -3.431 -9.952 4.342 271 H ALA 38 H ALA 38 -2.873 -3.368 4.171 272 HA ALA 38 HA ALA 38 -2.063 -2.963 1.444 273 HB1 ALA 38 HB1 ALA 38 -1.835 -0.786 2.465 274 HB2 ALA 38 HB2 ALA 38 -0.265 -1.478 2.073 275 HB3 ALA 38 HB3 ALA 38 -0.833 -1.465 3.754 276 H GLU 39 H GLU 39 -0.705 -4.422 0.924 277 HA GLU 39 HA GLU 39 0.356 -6.185 3.036 278 HB2 GLU 39 HB2 GLU 39 -1.563 -7.136 1.842 279 HB3 GLU 39 HB3 GLU 39 -0.773 -6.844 0.308 280 HG2 GLU 39 HG2 GLU 39 -0.683 -9.185 0.945 281 HG3 GLU 39 HG3 GLU 39 0.929 -8.479 0.855 282 H ASN 40 H ASN 40 2.365 -7.206 2.509 283 HA ASN 40 HA ASN 40 4.158 -5.661 0.910 284 HB2 ASN 40 HB2 ASN 40 5.062 -6.890 2.795 285 HB3 ASN 40 HB3 ASN 40 4.449 -8.411 2.158 286 HD21 ASN 40 HD21 ASN 40 6.817 -5.965 1.841 287 HD22 ASN 40 HD22 ASN 40 7.901 -6.825 0.793 288 H PHE 41 H PHE 41 4.270 -5.731 -1.193 289 HA PHE 41 HA PHE 41 2.836 -7.828 -2.607 290 HB2 PHE 41 HB2 PHE 41 2.423 -5.472 -3.227 291 HB3 PHE 41 HB3 PHE 41 4.120 -5.288 -3.610 292 HD1 PHE 41 HD1 PHE 41 1.196 -7.404 -4.566 293 HD2 PHE 41 HD2 PHE 41 4.831 -5.548 -5.791 294 HE1 PHE 41 HE1 PHE 41 0.792 -8.127 -6.872 295 HE2 PHE 41 HE2 PHE 41 4.427 -6.275 -8.100 296 HZ PHE 41 HZ PHE 41 2.405 -7.567 -8.644 297 H LYS 42 H LYS 42 6.049 -6.420 -2.365 298 HA LYS 42 HA LYS 42 7.383 -8.711 -3.368 299 HB2 LYS 42 HB2 LYS 42 6.303 -7.599 -5.416 300 HB3 LYS 42 HB3 LYS 42 7.274 -6.196 -5.064 301 HG2 LYS 42 HG2 LYS 42 9.288 -7.404 -5.543 302 HG3 LYS 42 HG3 LYS 42 8.370 -8.897 -5.764 303 HD2 LYS 42 HD2 LYS 42 7.107 -7.823 -7.593 304 HD3 LYS 42 HD3 LYS 42 8.100 -6.380 -7.403 305 HE2 LYS 42 HE2 LYS 42 10.087 -7.678 -7.969 306 HE3 LYS 42 HE3 LYS 42 9.089 -9.123 -8.137 307 HZ1 LYS 42 HZ1 LYS 42 7.934 -8.118 -9.962 308 HZ2 LYS 42 HZ2 LYS 42 9.571 -8.035 -10.292 309 HZ3 LYS 42 HZ3 LYS 42 8.741 -6.668 -9.776 310 H ASP 43 H ASP 43 9.781 -7.922 -3.536 311 HA ASP 43 HA ASP 43 10.466 -6.385 -1.277 312 HB2 ASP 43 HB2 ASP 43 12.154 -7.079 -3.713 313 HB3 ASP 43 HB3 ASP 43 12.778 -6.242 -2.307 314 H TYR 44 H TYR 44 10.428 -4.330 -0.954 315 HA TYR 44 HA TYR 44 10.340 -2.109 -1.194 316 HB2 TYR 44 HB2 TYR 44 11.458 -2.677 -3.937 317 HB3 TYR 44 HB3 TYR 44 11.078 -1.045 -3.403 318 HD1 TYR 44 HD1 TYR 44 13.365 -3.872 -3.037 319 HD2 TYR 44 HD2 TYR 44 12.357 0.004 -1.656 320 HE1 TYR 44 HE1 TYR 44 15.554 -3.706 -1.949 321 HE2 TYR 44 HE2 TYR 44 14.525 0.201 -0.567 322 HH TYR 44 HH TYR 44 17.075 -1.863 -1.214 323 H TYR 45 H TYR 45 8.086 -4.005 -2.223 324 HA TYR 45 HA TYR 45 6.493 -1.778 -3.294 325 HB2 TYR 45 HB2 TYR 45 6.519 -4.593 -4.344 326 HB3 TYR 45 HB3 TYR 45 5.234 -3.447 -4.688 327 HD1 TYR 45 HD1 TYR 45 8.641 -4.444 -5.480 328 HD2 TYR 45 HD2 TYR 45 5.688 -1.439 -5.986 329 HE1 TYR 45 HE1 TYR 45 9.933 -3.483 -7.327 330 HE2 TYR 45 HE2 TYR 45 6.942 -0.486 -7.834 331 HH TYR 45 HH TYR 45 9.547 -2.052 -9.336 332 H CYS 46 H CYS 46 4.610 -1.499 -2.551 333 HA CYS 46 HA CYS 46 3.523 -3.494 -0.679 334 HB2 CYS 46 HB2 CYS 46 3.301 -0.485 -0.580 335 HB3 CYS 46 HB3 CYS 46 2.408 -1.591 0.457 336 H ASN 47 H ASN 47 1.472 -4.123 -1.000 337 HA ASN 47 HA ASN 47 0.155 -3.064 -3.386 338 HB2 ASN 47 HB2 ASN 47 0.519 -5.547 -3.228 339 HB3 ASN 47 HB3 ASN 47 -0.496 -5.559 -1.792 340 HD21 ASN 47 HD21 ASN 47 -2.733 -5.523 -2.048 341 HD22 ASN 47 HD22 ASN 47 -3.445 -5.608 -3.602 342 H CYS 48 H CYS 48 -0.971 -1.392 -2.878 343 HA CYS 48 HA CYS 48 -2.301 -1.116 -0.339 344 HB2 CYS 48 HB2 CYS 48 -2.315 0.709 -2.748 345 HB3 CYS 48 HB3 CYS 48 -2.734 1.102 -1.080 346 H HIS 49 H HIS 49 -4.504 -1.193 -0.066 347 HA HIS 49 HA HIS 49 -6.033 -2.136 -2.367 348 HB2 HIS 49 HB2 HIS 49 -6.480 -2.529 0.610 349 HB3 HIS 49 HB3 HIS 49 -7.636 -3.006 -0.626 350 HD1 HIS 49 HD3 HIS 49 -7.509 -5.434 -1.102 351 HD2 HIS 49 HD2 HIS 49 -3.827 -3.854 0.030 352 HE1 HIS 49 HE1 HIS 49 -5.880 -7.370 -1.145 353 H ILE 50 H ILE 50 -6.729 -0.322 -3.224 354 HA ILE 50 HA ILE 50 -7.588 1.855 -1.521 355 HB ILE 50 HB ILE 50 -8.095 1.891 -4.476 356 HG12 ILE 50 HG12 ILE 50 -5.766 0.991 -4.338 357 HG13 ILE 50 HG13 ILE 50 -5.818 2.606 -5.014 358 HG21 ILE 50 HG21 ILE 50 -8.760 3.715 -3.069 359 HG22 ILE 50 HG22 ILE 50 -7.454 4.252 -4.151 360 HG23 ILE 50 HG23 ILE 50 -7.112 3.851 -2.457 361 HD11 ILE 50 HD11 ILE 50 -5.059 3.505 -2.860 362 HD12 ILE 50 HD12 ILE 50 -3.932 2.330 -3.542 363 HD13 ILE 50 HD13 ILE 50 -4.997 1.861 -2.215 364 H ILE 51 H ILE 51 -9.568 1.751 -0.694 365 HA ILE 51 HA ILE 51 -11.513 -0.119 -1.504 366 HB ILE 51 HB ILE 51 -11.911 2.387 0.169 367 HG12 ILE 51 HG12 ILE 51 -11.401 -0.461 0.995 368 HG13 ILE 51 HG13 ILE 51 -10.194 0.823 1.043 369 HG21 ILE 51 HG21 ILE 51 -13.888 1.213 1.054 370 HG22 ILE 51 HG22 ILE 51 -13.595 -0.114 -0.069 371 HG23 ILE 51 HG23 ILE 51 -14.027 1.478 -0.686 372 HD11 ILE 51 HD11 ILE 51 -11.125 0.387 3.250 373 HD12 ILE 51 HD12 ILE 51 -12.748 0.717 2.639 374 HD13 ILE 51 HD13 ILE 51 -11.545 2.007 2.696 375 H ILE 52 H ILE 52 -12.965 -0.060 -3.045 376 HA ILE 52 HA ILE 52 -13.155 2.274 -4.750 377 HB ILE 52 HB ILE 52 -14.469 -0.456 -4.967 378 HG12 ILE 52 HG12 ILE 52 -12.054 0.646 -6.428 379 HG13 ILE 52 HG13 ILE 52 -11.979 -0.482 -5.085 380 HG21 ILE 52 HG21 ILE 52 -15.742 1.210 -6.188 381 HG22 ILE 52 HG22 ILE 52 -14.877 0.182 -7.336 382 HG23 ILE 52 HG23 ILE 52 -14.277 1.799 -6.968 383 HD11 ILE 52 HD11 ILE 52 -13.139 -2.154 -6.420 384 HD12 ILE 52 HD12 ILE 52 -11.684 -1.588 -7.242 385 HD13 ILE 52 HD13 ILE 52 -13.273 -1.008 -7.751 386 H HIS 53 H HIS 53 -15.278 0.199 -2.860 387 HA HIS 53 HA HIS 53 -17.073 2.432 -2.431 388 HB2 HIS 53 HB2 HIS 53 -17.942 0.997 -4.340 389 HB3 HIS 53 HB3 HIS 53 -18.019 -0.346 -3.206 390 HD1 HIS 53 HD3 HIS 53 -20.065 -0.417 -1.617 391 HD2 HIS 53 HD2 HIS 53 -19.810 3.049 -3.893 392 HE1 HIS 53 HE1 HIS 53 -22.251 0.783 -1.296 Start of MODEL 16 1 H1 GLU 1 1HT GLU 1 -13.045 -5.290 -3.760 2 H2 GLU 1 2HT GLU 1 -14.244 -5.734 -2.684 3 H3 GLU 1 3HT GLU 1 -12.830 -5.035 -2.095 4 HA GLU 1 HA GLU 1 -14.923 -3.711 -3.757 5 HB2 GLU 1 HB2 GLU 1 -13.840 -2.924 -1.052 6 HB3 GLU 1 HB3 GLU 1 -15.269 -2.305 -1.853 7 HG2 GLU 1 HG2 GLU 1 -14.954 -5.095 -0.791 8 HG3 GLU 1 HG3 GLU 1 -15.747 -3.770 0.049 9 H GLU 2 H GLU 2 -11.721 -3.937 -2.772 10 HA GLU 2 HA GLU 2 -11.002 -1.182 -3.269 11 HB2 GLU 2 HB2 GLU 2 -9.088 -3.400 -2.655 12 HB3 GLU 2 HB3 GLU 2 -8.935 -1.690 -2.318 13 HG2 GLU 2 HG2 GLU 2 -9.308 -2.550 -0.216 14 HG3 GLU 2 HG3 GLU 2 -10.940 -2.116 -0.707 15 H THR 3 H THR 3 -9.138 -0.744 -4.564 16 HA THR 3 HA THR 3 -8.752 -2.579 -6.780 17 HB THR 3 HB THR 3 -8.047 0.351 -6.585 18 HG1 THR 3 HG1 THR 3 -10.059 -0.620 -8.321 19 HG21 THR 3 HG21 THR 3 -7.738 0.199 -9.031 20 HG22 THR 3 HG22 THR 3 -8.104 -1.524 -8.962 21 HG23 THR 3 HG23 THR 3 -6.655 -0.902 -8.176 22 H GLU 4 H GLU 4 -7.060 -3.774 -6.417 23 HA GLU 4 HA GLU 4 -5.083 -3.187 -4.459 24 HB2 GLU 4 HB2 GLU 4 -5.225 -5.358 -6.556 25 HB3 GLU 4 HB3 GLU 4 -3.939 -5.240 -5.371 26 HG2 GLU 4 HG2 GLU 4 -5.500 -6.899 -4.661 27 HG3 GLU 4 HG3 GLU 4 -5.622 -5.524 -3.579 28 H GLU 5 H GLU 5 -3.545 -1.794 -4.739 29 HA GLU 5 HA GLU 5 -2.421 -1.409 -7.422 30 HB2 GLU 5 HB2 GLU 5 -3.837 0.480 -6.426 31 HB3 GLU 5 HB3 GLU 5 -2.582 0.636 -5.217 32 HG2 GLU 5 HG2 GLU 5 -2.265 2.277 -6.950 33 HG3 GLU 5 HG3 GLU 5 -0.940 1.110 -6.966 34 HA PRO 6 HA PRO 6 1.247 -2.624 -4.991 35 HB2 PRO 6 HB2 PRO 6 2.533 -2.867 -7.605 36 HB3 PRO 6 HB3 PRO 6 2.253 -4.124 -6.398 37 HG2 PRO 6 HG2 PRO 6 0.937 -4.074 -8.765 38 HG3 PRO 6 HG3 PRO 6 0.204 -4.700 -7.280 39 HD2 PRO 6 HD2 PRO 6 -0.163 -2.026 -8.585 40 HD3 PRO 6 HD3 PRO 6 -1.371 -3.105 -7.848 41 H ILE 7 H ILE 7 2.237 -0.960 -4.160 42 HA ILE 7 HA ILE 7 3.060 1.320 -5.836 43 HB ILE 7 HB ILE 7 3.003 2.697 -3.825 44 HG12 ILE 7 HG12 ILE 7 2.597 0.379 -2.007 45 HG13 ILE 7 HG13 ILE 7 4.247 0.659 -2.561 46 HG21 ILE 7 HG21 ILE 7 0.910 2.217 -2.756 47 HG22 ILE 7 HG22 ILE 7 0.844 0.660 -3.585 48 HG23 ILE 7 HG23 ILE 7 0.810 2.157 -4.519 49 HD11 ILE 7 HD11 ILE 7 4.133 2.927 -1.691 50 HD12 ILE 7 HD12 ILE 7 3.846 1.730 -0.422 51 HD13 ILE 7 HD13 ILE 7 2.492 2.628 -1.121 52 H ARG 8 H ARG 8 5.238 2.171 -5.410 53 HA ARG 8 HA ARG 8 7.087 0.043 -4.647 54 HB2 ARG 8 HB2 ARG 8 7.816 2.749 -5.796 55 HB3 ARG 8 HB3 ARG 8 8.803 1.292 -5.714 56 HG2 ARG 8 HG2 ARG 8 7.317 0.194 -7.272 57 HG3 ARG 8 HG3 ARG 8 6.387 1.682 -7.437 58 HD2 ARG 8 HD2 ARG 8 7.902 1.500 -9.258 59 HD3 ARG 8 HD3 ARG 8 8.461 2.811 -8.214 60 HE ARG 8 HE ARG 8 9.840 0.656 -7.339 61 HH11 ARG 8 HH11 ARG 8 9.404 2.049 -10.565 62 HH12 ARG 8 HH12 ARG 8 10.915 1.563 -11.146 63 HH21 ARG 8 HH21 ARG 8 11.914 -0.066 -8.156 64 HH22 ARG 8 HH22 ARG 8 12.384 0.341 -9.747 65 H HIS 9 H HIS 9 8.255 0.211 -2.822 66 HA HIS 9 HA HIS 9 7.990 2.682 -1.269 67 HB2 HIS 9 HB2 HIS 9 6.359 0.936 -0.483 68 HB3 HIS 9 HB3 HIS 9 7.717 -0.128 -0.159 69 HD1 HIS 9 HD3 HIS 9 9.304 0.616 1.864 70 HD2 HIS 9 HD2 HIS 9 5.780 2.755 1.449 71 HE1 HIS 9 HE1 HIS 9 8.975 1.867 4.052 72 H ALA 10 H ALA 10 9.955 3.359 -0.663 73 HA ALA 10 HA ALA 10 12.218 1.712 -1.211 74 HB1 ALA 10 HB1 ALA 10 12.151 4.490 -0.029 75 HB2 ALA 10 HB2 ALA 10 12.285 4.103 -1.745 76 HB3 ALA 10 HB3 ALA 10 13.578 3.652 -0.637 77 H LYS 11 H LYS 11 11.798 0.035 0.217 78 HA LYS 11 HA LYS 11 13.449 -0.010 2.436 79 HB2 LYS 11 HB2 LYS 11 11.348 1.093 3.446 80 HB3 LYS 11 HB3 LYS 11 10.461 -0.343 2.973 81 HG2 LYS 11 HG2 LYS 11 11.741 -1.696 4.491 82 HG3 LYS 11 HG3 LYS 11 12.793 -0.328 4.865 83 HD2 LYS 11 HD2 LYS 11 10.850 0.885 5.786 84 HD3 LYS 11 HD3 LYS 11 9.844 -0.534 5.484 85 HE2 LYS 11 HE2 LYS 11 11.189 -1.852 6.984 86 HE3 LYS 11 HE3 LYS 11 12.313 -0.520 7.212 87 HZ1 LYS 11 HZ1 LYS 11 10.847 -0.650 9.075 88 HZ2 LYS 11 HZ2 LYS 11 9.493 -0.661 8.099 89 HZ3 LYS 11 HZ3 LYS 11 10.423 0.740 8.214 90 H LYS 12 H LYS 12 13.997 -2.209 2.512 91 HA LYS 12 HA LYS 12 13.345 -3.689 0.226 92 HB2 LYS 12 HB2 LYS 12 15.414 -4.036 1.493 93 HB3 LYS 12 HB3 LYS 12 14.489 -4.720 2.825 94 HG2 LYS 12 HG2 LYS 12 13.710 -6.505 1.297 95 HG3 LYS 12 HG3 LYS 12 14.786 -5.858 0.060 96 HD2 LYS 12 HD2 LYS 12 16.701 -6.254 1.494 97 HD3 LYS 12 HD3 LYS 12 15.636 -6.839 2.776 98 HE2 LYS 12 HE2 LYS 12 16.024 -8.074 0.056 99 HE3 LYS 12 HE3 LYS 12 16.636 -8.700 1.588 100 HZ1 LYS 12 HZ1 LYS 12 14.196 -8.788 2.269 101 HZ2 LYS 12 HZ2 LYS 12 14.720 -9.908 1.140 102 HZ3 LYS 12 HZ3 LYS 12 13.848 -8.559 0.620 103 H ASN 13 H ASN 13 12.429 -4.394 3.550 104 HA ASN 13 HA ASN 13 9.986 -5.612 2.489 105 HB2 ASN 13 HB2 ASN 13 11.548 -6.559 4.909 106 HB3 ASN 13 HB3 ASN 13 9.933 -7.116 4.502 107 HD21 ASN 13 HD21 ASN 13 9.675 -8.398 2.598 108 HD22 ASN 13 HD22 ASN 13 11.005 -9.279 1.954 109 HA PRO 14 HA PRO 14 8.642 -2.377 5.269 110 HB2 PRO 14 HB2 PRO 14 6.589 -1.661 3.474 111 HB3 PRO 14 HB3 PRO 14 8.117 -0.817 3.713 112 HG2 PRO 14 HG2 PRO 14 7.323 -2.191 1.393 113 HG3 PRO 14 HG3 PRO 14 8.956 -1.621 1.766 114 HD2 PRO 14 HD2 PRO 14 7.792 -4.340 2.018 115 HD3 PRO 14 HD3 PRO 14 9.463 -3.835 1.668 116 H SER 15 H SER 15 7.179 -2.725 6.788 117 HA SER 15 HA SER 15 5.428 -4.956 6.489 118 HB2 SER 15 HB2 SER 15 5.820 -3.091 8.827 119 HB3 SER 15 HB3 SER 15 4.987 -4.654 8.853 120 HG SER 15 HG SER 15 7.178 -5.257 7.796 121 H GLU 16 H GLU 16 3.216 -4.682 7.475 122 HA GLU 16 HA GLU 16 1.601 -3.391 5.661 123 HB2 GLU 16 HB2 GLU 16 0.960 -5.322 6.976 124 HB3 GLU 16 HB3 GLU 16 1.025 -4.375 8.446 125 HG2 GLU 16 HG2 GLU 16 -0.834 -3.015 7.623 126 HG3 GLU 16 HG3 GLU 16 -0.908 -4.031 6.180 127 H GLY 17 H GLY 17 2.480 -2.368 8.947 128 HA2 GLY 17 HA2 GLY 17 0.867 -0.064 9.069 129 HA3 GLY 17 HA3 GLY 17 2.348 -0.293 9.985 130 H GLU 18 H GLU 18 4.237 -0.389 8.111 131 HA GLU 18 HA GLU 18 4.935 2.215 7.407 132 HB2 GLU 18 HB2 GLU 18 5.703 -0.341 5.979 133 HB3 GLU 18 HB3 GLU 18 6.532 1.191 5.816 134 HG2 GLU 18 HG2 GLU 18 6.310 -0.347 8.387 135 HG3 GLU 18 HG3 GLU 18 7.656 -0.471 7.260 136 H CYS 19 H CYS 19 3.650 -0.348 5.350 137 HA CYS 19 HA CYS 19 3.411 1.329 3.128 138 HB2 CYS 19 HB2 CYS 19 2.532 -1.456 3.674 139 HB3 CYS 19 HB3 CYS 19 2.176 -0.678 2.138 140 H LYS 20 H LYS 20 1.049 0.403 5.576 141 HA LYS 20 HA LYS 20 -1.045 1.461 4.079 142 HB2 LYS 20 HB2 LYS 20 -0.787 1.064 7.065 143 HB3 LYS 20 HB3 LYS 20 -2.203 1.836 6.382 144 HG2 LYS 20 HG2 LYS 20 -2.629 -0.225 5.061 145 HG3 LYS 20 HG3 LYS 20 -1.248 -0.973 5.872 146 HD2 LYS 20 HD2 LYS 20 -2.305 -0.757 8.013 147 HD3 LYS 20 HD3 LYS 20 -3.630 0.176 7.324 148 HE2 LYS 20 HE2 LYS 20 -4.283 -1.806 5.988 149 HE3 LYS 20 HE3 LYS 20 -2.980 -2.719 6.743 150 HZ1 LYS 20 HZ1 LYS 20 -5.116 -3.160 7.817 151 HZ2 LYS 20 HZ2 LYS 20 -5.308 -1.535 8.186 152 HZ3 LYS 20 HZ3 LYS 20 -4.073 -2.411 8.897 153 H LYS 21 H LYS 21 1.243 2.899 6.328 154 HA LYS 21 HA LYS 21 0.099 5.469 6.450 155 HB2 LYS 21 HB2 LYS 21 1.799 4.796 8.057 156 HB3 LYS 21 HB3 LYS 21 2.974 4.567 6.775 157 HG2 LYS 21 HG2 LYS 21 3.393 6.619 8.038 158 HG3 LYS 21 HG3 LYS 21 3.012 6.969 6.351 159 HD2 LYS 21 HD2 LYS 21 0.704 7.491 7.010 160 HD3 LYS 21 HD3 LYS 21 1.120 7.191 8.700 161 HE2 LYS 21 HE2 LYS 21 2.386 9.286 6.931 162 HE3 LYS 21 HE3 LYS 21 1.108 9.599 8.100 163 HZ1 LYS 21 HZ1 LYS 21 3.295 10.142 8.974 164 HZ2 LYS 21 HZ2 LYS 21 3.819 8.553 8.776 165 HZ3 LYS 21 HZ3 LYS 21 2.569 8.914 9.855 166 H ALA 22 H ALA 22 2.621 4.131 4.384 167 HA ALA 22 HA ALA 22 3.112 6.415 2.841 168 HB1 ALA 22 HB1 ALA 22 4.153 4.885 1.258 169 HB2 ALA 22 HB2 ALA 22 3.385 3.517 2.063 170 HB3 ALA 22 HB3 ALA 22 4.599 4.475 2.914 171 H CYS 23 H CYS 23 0.969 3.643 2.227 172 HA CYS 23 HA CYS 23 0.006 4.660 -0.205 173 HB2 CYS 23 HB2 CYS 23 -0.992 2.517 1.625 174 HB3 CYS 23 HB3 CYS 23 -1.764 2.852 0.080 175 H ALA 24 H ALA 24 -0.997 5.167 3.077 176 HA ALA 24 HA ALA 24 -3.505 6.282 2.454 177 HB1 ALA 24 HB1 ALA 24 -1.640 6.906 4.744 178 HB2 ALA 24 HB2 ALA 24 -2.861 5.634 4.716 179 HB3 ALA 24 HB3 ALA 24 -3.355 7.329 4.659 180 H ASP 25 H ASP 25 -0.391 7.743 3.187 181 HA ASP 25 HA ASP 25 -1.075 10.402 2.724 182 HB2 ASP 25 HB2 ASP 25 0.945 9.670 3.917 183 HB3 ASP 25 HB3 ASP 25 1.622 9.090 2.402 184 H ALA 26 H ALA 26 0.187 7.995 0.484 185 HA ALA 26 HA ALA 26 0.387 9.911 -1.660 186 HB1 ALA 26 HB1 ALA 26 0.775 6.932 -1.739 187 HB2 ALA 26 HB2 ALA 26 2.035 8.120 -1.404 188 HB3 ALA 26 HB3 ALA 26 1.249 8.090 -2.982 189 H PHE 27 H PHE 27 -2.230 8.063 -0.472 190 HA PHE 27 HA PHE 27 -3.405 8.246 -3.159 191 HB2 PHE 27 HB2 PHE 27 -3.677 5.962 -1.242 192 HB3 PHE 27 HB3 PHE 27 -4.880 6.246 -2.496 193 HD1 PHE 27 HD1 PHE 27 -1.678 4.712 -1.755 194 HD2 PHE 27 HD2 PHE 27 -4.050 6.410 -4.889 195 HE1 PHE 27 HE1 PHE 27 -0.368 3.546 -3.371 196 HE2 PHE 27 HE2 PHE 27 -2.699 5.240 -6.525 197 HZ PHE 27 HZ PHE 27 -0.838 3.787 -5.791 198 H ALA 28 H ALA 28 -4.245 8.100 0.259 199 HA ALA 28 HA ALA 28 -6.723 9.550 -0.349 200 HB1 ALA 28 HB1 ALA 28 -5.930 7.996 2.118 201 HB2 ALA 28 HB2 ALA 28 -6.985 7.419 0.831 202 HB3 ALA 28 HB3 ALA 28 -7.491 8.771 1.843 203 H ASN 29 H ASN 29 -3.808 10.307 0.065 204 HA ASN 29 HA ASN 29 -2.556 11.981 0.807 205 HB2 ASN 29 HB2 ASN 29 -5.242 13.332 0.829 206 HB3 ASN 29 HB3 ASN 29 -3.748 14.202 1.163 207 HD21 ASN 29 HD21 ASN 29 -3.867 15.482 -0.657 208 HD22 ASN 29 HD22 ASN 29 -3.655 14.852 -2.252 209 H GLY 30 H GLY 30 -3.474 10.139 2.811 210 HA2 GLY 30 HA2 GLY 30 -2.154 10.527 4.938 211 HA3 GLY 30 HA3 GLY 30 -3.201 11.923 5.147 212 H ASP 31 H ASP 31 -5.443 10.190 3.999 213 HA ASP 31 HA ASP 31 -6.186 9.175 6.595 214 HB2 ASP 31 HB2 ASP 31 -7.923 10.351 5.465 215 HB3 ASP 31 HB3 ASP 31 -7.736 9.355 4.017 216 H GLN 32 H GLN 32 -6.333 7.137 7.237 217 HA GLN 32 HA GLN 32 -5.326 5.113 5.388 218 HB2 GLN 32 HB2 GLN 32 -5.603 4.958 8.391 219 HB3 GLN 32 HB3 GLN 32 -4.789 3.795 7.354 220 HG2 GLN 32 HG2 GLN 32 -3.209 5.601 6.697 221 HG3 GLN 32 HG3 GLN 32 -3.975 6.628 7.902 222 HE21 GLN 32 HE21 GLN 32 -1.291 5.788 7.713 223 HE22 GLN 32 HE22 GLN 32 -0.887 4.922 9.148 224 H SER 33 H SER 33 -8.278 6.205 6.052 225 HA SER 33 HA SER 33 -9.561 3.727 6.804 226 HB2 SER 33 HB2 SER 33 -10.876 6.249 5.814 227 HB3 SER 33 HB3 SER 33 -11.580 4.986 6.826 228 HG SER 33 HG SER 33 -9.791 7.029 7.443 229 H LYS 34 H LYS 34 -8.917 5.655 3.968 230 HA LYS 34 HA LYS 34 -10.600 4.082 2.232 231 HB2 LYS 34 HB2 LYS 34 -8.464 6.096 1.533 232 HB3 LYS 34 HB3 LYS 34 -9.620 5.413 0.399 233 HG2 LYS 34 HG2 LYS 34 -10.304 7.054 2.808 234 HG3 LYS 34 HG3 LYS 34 -10.216 7.695 1.167 235 HD2 LYS 34 HD2 LYS 34 -12.115 5.503 2.079 236 HD3 LYS 34 HD3 LYS 34 -12.550 7.198 1.948 237 HE2 LYS 34 HE2 LYS 34 -11.609 5.466 -0.352 238 HE3 LYS 34 HE3 LYS 34 -13.285 5.853 0.009 239 HZ1 LYS 34 HZ1 LYS 34 -12.769 8.197 -0.340 240 HZ2 LYS 34 HZ2 LYS 34 -12.448 7.286 -1.711 241 HZ3 LYS 34 HZ3 LYS 34 -11.177 7.820 -0.747 242 H ILE 35 H ILE 35 -7.700 3.520 3.612 243 HA ILE 35 HA ILE 35 -6.893 1.680 1.454 244 HB ILE 35 HB ILE 35 -5.268 2.450 3.907 245 HG12 ILE 35 HG12 ILE 35 -5.513 4.415 2.455 246 HG13 ILE 35 HG13 ILE 35 -3.864 3.814 2.392 247 HG21 ILE 35 HG21 ILE 35 -4.479 0.936 1.411 248 HG22 ILE 35 HG22 ILE 35 -4.705 0.250 3.008 249 HG23 ILE 35 HG23 ILE 35 -3.382 1.386 2.719 250 HD11 ILE 35 HD11 ILE 35 -5.997 3.377 0.308 251 HD12 ILE 35 HD12 ILE 35 -4.350 2.751 0.237 252 HD13 ILE 35 HD13 ILE 35 -4.635 4.490 0.198 253 H ALA 36 H ALA 36 -7.788 -0.240 1.735 254 HA ALA 36 HA ALA 36 -8.832 -1.017 4.304 255 HB1 ALA 36 HB1 ALA 36 -8.648 -2.658 1.783 256 HB2 ALA 36 HB2 ALA 36 -9.984 -1.583 2.188 257 HB3 ALA 36 HB3 ALA 36 -9.660 -3.000 3.187 258 H LYS 37 H LYS 37 -6.471 -2.438 2.128 259 HA LYS 37 HA LYS 37 -5.071 -3.556 4.435 260 HB2 LYS 37 HB2 LYS 37 -5.761 -5.031 1.879 261 HB3 LYS 37 HB3 LYS 37 -4.649 -5.633 3.093 262 HG2 LYS 37 HG2 LYS 37 -6.462 -5.793 4.716 263 HG3 LYS 37 HG3 LYS 37 -7.576 -5.086 3.548 264 HD2 LYS 37 HD2 LYS 37 -6.078 -7.662 3.039 265 HD3 LYS 37 HD3 LYS 37 -7.672 -7.615 3.784 266 HE2 LYS 37 HE2 LYS 37 -7.040 -6.440 1.065 267 HE3 LYS 37 HE3 LYS 37 -7.693 -8.053 1.319 268 HZ1 LYS 37 HZ1 LYS 37 -9.332 -6.150 0.826 269 HZ2 LYS 37 HZ2 LYS 37 -9.117 -5.712 2.444 270 HZ3 LYS 37 HZ3 LYS 37 -9.698 -7.223 2.054 271 H ALA 38 H ALA 38 -2.826 -4.190 3.837 272 HA ALA 38 HA ALA 38 -1.649 -3.254 1.403 273 HB1 ALA 38 HB1 ALA 38 -0.958 -1.940 4.037 274 HB2 ALA 38 HB2 ALA 38 -1.767 -1.177 2.657 275 HB3 ALA 38 HB3 ALA 38 -0.094 -1.722 2.504 276 H GLU 39 H GLU 39 0.093 -4.490 1.038 277 HA GLU 39 HA GLU 39 1.207 -6.032 3.264 278 HB2 GLU 39 HB2 GLU 39 -0.843 -7.167 2.409 279 HB3 GLU 39 HB3 GLU 39 -0.077 -7.278 0.840 280 HG2 GLU 39 HG2 GLU 39 1.602 -8.752 1.727 281 HG3 GLU 39 HG3 GLU 39 0.938 -8.564 3.355 282 H ASN 40 H ASN 40 3.270 -6.897 2.752 283 HA ASN 40 HA ASN 40 4.783 -5.534 0.814 284 HB2 ASN 40 HB2 ASN 40 5.789 -6.481 2.869 285 HB3 ASN 40 HB3 ASN 40 5.448 -8.106 2.291 286 HD21 ASN 40 HD21 ASN 40 6.679 -5.433 0.318 287 HD22 ASN 40 HD22 ASN 40 8.189 -6.165 -0.011 288 H PHE 41 H PHE 41 4.717 -5.793 -1.244 289 HA PHE 41 HA PHE 41 3.468 -8.120 -2.440 290 HB2 PHE 41 HB2 PHE 41 2.698 -5.964 -3.175 291 HB3 PHE 41 HB3 PHE 41 4.335 -5.438 -3.512 292 HD1 PHE 41 HD1 PHE 41 1.604 -7.644 -4.647 293 HD2 PHE 41 HD2 PHE 41 5.369 -5.900 -5.589 294 HE1 PHE 41 HE1 PHE 41 1.354 -8.351 -6.991 295 HE2 PHE 41 HE2 PHE 41 5.147 -6.600 -7.900 296 HZ PHE 41 HZ PHE 41 3.121 -7.828 -8.627 297 H LYS 42 H LYS 42 6.597 -6.505 -2.388 298 HA LYS 42 HA LYS 42 7.990 -8.770 -3.397 299 HB2 LYS 42 HB2 LYS 42 6.832 -7.497 -5.421 300 HB3 LYS 42 HB3 LYS 42 8.024 -6.268 -5.092 301 HG2 LYS 42 HG2 LYS 42 8.806 -7.580 -6.876 302 HG3 LYS 42 HG3 LYS 42 9.792 -7.933 -5.462 303 HD2 LYS 42 HD2 LYS 42 9.283 -10.008 -6.594 304 HD3 LYS 42 HD3 LYS 42 8.391 -9.974 -5.075 305 HE2 LYS 42 HE2 LYS 42 6.375 -9.237 -6.286 306 HE3 LYS 42 HE3 LYS 42 7.285 -9.281 -7.795 307 HZ1 LYS 42 HZ1 LYS 42 6.617 -11.571 -6.046 308 HZ2 LYS 42 HZ2 LYS 42 7.625 -11.671 -7.384 309 HZ3 LYS 42 HZ3 LYS 42 6.001 -11.246 -7.585 310 H ASP 43 H ASP 43 10.404 -7.939 -3.496 311 HA ASP 43 HA ASP 43 10.977 -6.307 -1.278 312 HB2 ASP 43 HB2 ASP 43 12.745 -6.861 -3.697 313 HB3 ASP 43 HB3 ASP 43 13.290 -6.017 -2.261 314 H TYR 44 H TYR 44 10.835 -4.239 -1.000 315 HA TYR 44 HA TYR 44 10.618 -2.026 -1.299 316 HB2 TYR 44 HB2 TYR 44 11.733 -2.516 -4.080 317 HB3 TYR 44 HB3 TYR 44 11.526 -0.932 -3.348 318 HD1 TYR 44 HD1 TYR 44 13.552 -3.961 -3.454 319 HD2 TYR 44 HD2 TYR 44 13.002 -0.230 -1.510 320 HE1 TYR 44 HE1 TYR 44 15.795 -4.150 -2.493 321 HE2 TYR 44 HE2 TYR 44 15.255 -0.400 -0.538 322 HH TYR 44 HH TYR 44 17.534 -2.605 -1.623 323 H TYR 45 H TYR 45 8.473 -3.992 -2.143 324 HA TYR 45 HA TYR 45 6.751 -1.979 -3.421 325 HB2 TYR 45 HB2 TYR 45 7.014 -4.852 -4.254 326 HB3 TYR 45 HB3 TYR 45 5.592 -3.902 -4.609 327 HD1 TYR 45 HD1 TYR 45 5.648 -2.142 -6.251 328 HD2 TYR 45 HD2 TYR 45 9.130 -4.449 -5.466 329 HE1 TYR 45 HE1 TYR 45 6.631 -1.350 -8.329 330 HE2 TYR 45 HE2 TYR 45 10.128 -3.645 -7.564 331 HH TYR 45 HH TYR 45 9.270 -2.754 -9.772 332 H CYS 46 H CYS 46 4.633 -2.002 -2.804 333 HA CYS 46 HA CYS 46 3.706 -4.119 -1.027 334 HB2 CYS 46 HB2 CYS 46 3.710 -1.202 -0.361 335 HB3 CYS 46 HB3 CYS 46 2.421 -2.235 0.241 336 H ASN 47 H ASN 47 1.702 -4.719 -1.279 337 HA ASN 47 HA ASN 47 0.231 -3.567 -3.511 338 HB2 ASN 47 HB2 ASN 47 0.544 -6.067 -3.264 339 HB3 ASN 47 HB3 ASN 47 -0.411 -5.978 -1.789 340 HD21 ASN 47 HD21 ASN 47 -2.043 -7.233 -2.519 341 HD22 ASN 47 HD22 ASN 47 -3.138 -6.787 -3.767 342 H CYS 48 H CYS 48 -1.011 -1.912 -2.951 343 HA CYS 48 HA CYS 48 -2.237 -1.980 -0.322 344 HB2 CYS 48 HB2 CYS 48 -1.374 0.292 -2.063 345 HB3 CYS 48 HB3 CYS 48 -2.465 0.566 -0.714 346 H HIS 49 H HIS 49 -4.337 -1.621 -0.086 347 HA HIS 49 HA HIS 49 -5.855 -2.217 -2.507 348 HB2 HIS 49 HB2 HIS 49 -6.436 -2.789 0.390 349 HB3 HIS 49 HB3 HIS 49 -7.484 -3.242 -0.951 350 HD1 HIS 49 HD3 HIS 49 -7.109 -5.578 -1.842 351 HD2 HIS 49 HD2 HIS 49 -3.807 -4.156 0.255 352 HE1 HIS 49 HE1 HIS 49 -5.538 -7.536 -1.587 353 H ILE 50 H ILE 50 -6.501 -0.310 -3.202 354 HA ILE 50 HA ILE 50 -7.194 1.784 -1.318 355 HB ILE 50 HB ILE 50 -7.625 2.126 -4.258 356 HG12 ILE 50 HG12 ILE 50 -5.426 0.951 -4.203 357 HG13 ILE 50 HG13 ILE 50 -5.256 2.625 -4.694 358 HG21 ILE 50 HG21 ILE 50 -8.095 3.920 -2.698 359 HG22 ILE 50 HG22 ILE 50 -6.716 4.364 -3.724 360 HG23 ILE 50 HG23 ILE 50 -6.451 3.788 -2.071 361 HD11 ILE 50 HD11 ILE 50 -4.436 3.185 -2.457 362 HD12 ILE 50 HD12 ILE 50 -3.465 1.928 -3.232 363 HD13 ILE 50 HD13 ILE 50 -4.625 1.494 -1.975 364 H ILE 51 H ILE 51 -9.238 1.962 -0.616 365 HA ILE 51 HA ILE 51 -11.339 0.381 -1.708 366 HB ILE 51 HB ILE 51 -11.462 2.627 0.329 367 HG12 ILE 51 HG12 ILE 51 -11.449 -0.377 0.705 368 HG13 ILE 51 HG13 ILE 51 -10.082 0.687 1.008 369 HG21 ILE 51 HG21 ILE 51 -13.639 2.279 -0.726 370 HG22 ILE 51 HG22 ILE 51 -13.664 1.698 0.941 371 HG23 ILE 51 HG23 ILE 51 -13.538 0.551 -0.393 372 HD11 ILE 51 HD11 ILE 51 -12.716 0.737 2.460 373 HD12 ILE 51 HD12 ILE 51 -11.338 1.790 2.781 374 HD13 ILE 51 HD13 ILE 51 -11.208 0.056 3.069 375 H ILE 52 H ILE 52 -12.137 0.819 -3.587 376 HA ILE 52 HA ILE 52 -12.603 3.609 -4.360 377 HB ILE 52 HB ILE 52 -12.331 1.135 -6.081 378 HG12 ILE 52 HG12 ILE 52 -10.182 1.821 -5.168 379 HG13 ILE 52 HG13 ILE 52 -10.237 2.157 -6.891 380 HG21 ILE 52 HG21 ILE 52 -12.710 3.994 -6.943 381 HG22 ILE 52 HG22 ILE 52 -13.883 2.688 -7.100 382 HG23 ILE 52 HG23 ILE 52 -12.378 2.634 -8.016 383 HD11 ILE 52 HD11 ILE 52 -10.673 4.534 -6.365 384 HD12 ILE 52 HD12 ILE 52 -9.141 3.944 -5.721 385 HD13 ILE 52 HD13 ILE 52 -10.525 4.139 -4.647 386 H HIS 53 H HIS 53 -14.052 0.367 -4.300 387 HA HIS 53 HA HIS 53 -16.530 1.392 -5.363 388 HB2 HIS 53 HB2 HIS 53 -15.714 -1.430 -4.622 389 HB3 HIS 53 HB3 HIS 53 -17.232 -0.986 -5.390 390 HD1 HIS 53 HD3 HIS 53 -13.664 -1.687 -6.133 391 HD2 HIS 53 HD2 HIS 53 -16.983 -0.118 -8.067 392 HE1 HIS 53 HE1 HIS 53 -13.061 -1.625 -8.587 Start of MODEL 17 1 H1 GLU 1 1HT GLU 1 -14.387 -5.588 -2.190 2 H2 GLU 1 2HT GLU 1 -15.510 -6.435 -3.109 3 H3 GLU 1 3HT GLU 1 -15.493 -4.735 -3.138 4 HA GLU 1 HA GLU 1 -13.392 -6.545 -4.106 5 HB2 GLU 1 HB2 GLU 1 -15.318 -6.431 -5.619 6 HB3 GLU 1 HB3 GLU 1 -15.270 -4.677 -5.573 7 HG2 GLU 1 HG2 GLU 1 -13.119 -4.684 -6.696 8 HG3 GLU 1 HG3 GLU 1 -13.109 -6.447 -6.688 9 H GLU 2 H GLU 2 -11.466 -5.722 -4.160 10 HA GLU 2 HA GLU 2 -11.093 -2.852 -3.609 11 HB2 GLU 2 HB2 GLU 2 -9.248 -5.161 -2.998 12 HB3 GLU 2 HB3 GLU 2 -9.083 -3.496 -2.460 13 HG2 GLU 2 HG2 GLU 2 -10.937 -3.698 -1.013 14 HG3 GLU 2 HG3 GLU 2 -11.378 -5.264 -1.681 15 H THR 3 H THR 3 -9.500 -1.852 -4.876 16 HA THR 3 HA THR 3 -8.434 -3.547 -6.972 17 HB THR 3 HB THR 3 -9.452 -1.508 -7.878 18 HG1 THR 3 HG1 THR 3 -7.347 -2.368 -8.669 19 HG21 THR 3 HG21 THR 3 -7.473 0.018 -6.186 20 HG22 THR 3 HG22 THR 3 -9.223 -0.033 -5.950 21 HG23 THR 3 HG23 THR 3 -8.549 0.730 -7.389 22 H GLU 4 H GLU 4 -6.370 -4.037 -7.055 23 HA GLU 4 HA GLU 4 -4.827 -3.359 -4.674 24 HB2 GLU 4 HB2 GLU 4 -4.640 -5.638 -6.639 25 HB3 GLU 4 HB3 GLU 4 -3.563 -5.395 -5.268 26 HG2 GLU 4 HG2 GLU 4 -5.357 -5.714 -3.720 27 HG3 GLU 4 HG3 GLU 4 -6.533 -5.738 -5.030 28 H GLU 5 H GLU 5 -3.310 -1.894 -4.981 29 HA GLU 5 HA GLU 5 -2.036 -1.830 -7.617 30 HB2 GLU 5 HB2 GLU 5 -3.508 0.157 -7.196 31 HB3 GLU 5 HB3 GLU 5 -2.478 0.570 -5.837 32 HG2 GLU 5 HG2 GLU 5 -0.582 0.889 -7.278 33 HG3 GLU 5 HG3 GLU 5 -1.498 0.330 -8.673 34 HA PRO 6 HA PRO 6 1.521 -2.515 -4.952 35 HB2 PRO 6 HB2 PRO 6 3.046 -2.930 -7.366 36 HB3 PRO 6 HB3 PRO 6 2.603 -4.114 -6.137 37 HG2 PRO 6 HG2 PRO 6 1.596 -4.127 -8.694 38 HG3 PRO 6 HG3 PRO 6 0.755 -4.812 -7.296 39 HD2 PRO 6 HD2 PRO 6 0.328 -2.197 -8.670 40 HD3 PRO 6 HD3 PRO 6 -0.853 -3.326 -7.959 41 H ILE 7 H ILE 7 2.193 -0.663 -4.253 42 HA ILE 7 HA ILE 7 3.074 1.441 -6.078 43 HB ILE 7 HB ILE 7 2.988 2.971 -4.175 44 HG12 ILE 7 HG12 ILE 7 2.072 0.713 -2.430 45 HG13 ILE 7 HG13 ILE 7 3.797 1.066 -2.567 46 HG21 ILE 7 HG21 ILE 7 0.651 2.772 -3.600 47 HG22 ILE 7 HG22 ILE 7 0.624 1.147 -4.281 48 HG23 ILE 7 HG23 ILE 7 0.933 2.534 -5.324 49 HD11 ILE 7 HD11 ILE 7 2.837 2.118 -0.635 50 HD12 ILE 7 HD12 ILE 7 1.642 2.941 -1.666 51 HD13 ILE 7 HD13 ILE 7 3.369 3.310 -1.827 52 H ARG 8 H ARG 8 4.998 2.547 -5.600 53 HA ARG 8 HA ARG 8 7.183 0.748 -5.060 54 HB2 ARG 8 HB2 ARG 8 7.220 3.713 -5.651 55 HB3 ARG 8 HB3 ARG 8 8.568 2.587 -5.768 56 HG2 ARG 8 HG2 ARG 8 7.545 1.479 -7.633 57 HG3 ARG 8 HG3 ARG 8 6.103 2.491 -7.483 58 HD2 ARG 8 HD2 ARG 8 7.523 4.479 -7.887 59 HD3 ARG 8 HD3 ARG 8 8.894 3.401 -8.144 60 HE ARG 8 HE ARG 8 6.788 2.634 -9.802 61 HH11 ARG 8 HH11 ARG 8 9.101 5.322 -9.455 62 HH12 ARG 8 HH12 ARG 8 9.139 5.680 -11.120 63 HH21 ARG 8 HH21 ARG 8 6.861 3.163 -12.111 64 HH22 ARG 8 HH22 ARG 8 7.844 4.439 -12.651 65 H HIS 9 H HIS 9 8.212 0.640 -3.142 66 HA HIS 9 HA HIS 9 7.660 2.731 -1.154 67 HB2 HIS 9 HB2 HIS 9 6.515 0.454 -0.781 68 HB3 HIS 9 HB3 HIS 9 8.129 -0.202 -0.540 69 HD1 HIS 9 HD3 HIS 9 8.913 -0.152 1.852 70 HD2 HIS 9 HD2 HIS 9 5.876 2.546 1.099 71 HE1 HIS 9 HE1 HIS 9 8.387 0.969 4.072 72 H ALA 10 H ALA 10 9.509 3.039 0.360 73 HA ALA 10 HA ALA 10 11.981 2.580 -1.112 74 HB1 ALA 10 HB1 ALA 10 11.463 4.470 1.156 75 HB2 ALA 10 HB2 ALA 10 11.411 4.880 -0.558 76 HB3 ALA 10 HB3 ALA 10 12.933 4.383 0.187 77 H LYS 11 H LYS 11 10.456 0.936 1.190 78 HA LYS 11 HA LYS 11 12.966 0.209 2.528 79 HB2 LYS 11 HB2 LYS 11 10.107 -0.471 3.295 80 HB3 LYS 11 HB3 LYS 11 11.538 -1.044 4.127 81 HG2 LYS 11 HG2 LYS 11 10.713 1.850 3.931 82 HG3 LYS 11 HG3 LYS 11 10.362 0.791 5.294 83 HD2 LYS 11 HD2 LYS 11 12.813 0.458 5.586 84 HD3 LYS 11 HD3 LYS 11 13.081 1.648 4.310 85 HE2 LYS 11 HE2 LYS 11 13.276 2.681 6.512 86 HE3 LYS 11 HE3 LYS 11 11.897 3.339 5.635 87 HZ1 LYS 11 HZ1 LYS 11 10.416 1.931 6.955 88 HZ2 LYS 11 HZ2 LYS 11 11.380 2.852 7.974 89 HZ3 LYS 11 HZ3 LYS 11 11.738 1.232 7.733 90 H LYS 12 H LYS 12 13.699 -1.824 2.226 91 HA LYS 12 HA LYS 12 12.966 -3.176 -0.127 92 HB2 LYS 12 HB2 LYS 12 15.195 -3.327 0.727 93 HB3 LYS 12 HB3 LYS 12 14.627 -3.989 2.249 94 HG2 LYS 12 HG2 LYS 12 13.938 -6.028 1.102 95 HG3 LYS 12 HG3 LYS 12 14.503 -5.358 -0.431 96 HD2 LYS 12 HD2 LYS 12 16.744 -5.243 0.384 97 HD3 LYS 12 HD3 LYS 12 16.238 -5.743 1.999 98 HE2 LYS 12 HE2 LYS 12 17.261 -7.582 0.798 99 HE3 LYS 12 HE3 LYS 12 15.562 -7.907 1.108 100 HZ1 LYS 12 HZ1 LYS 12 15.034 -7.359 -1.135 101 HZ2 LYS 12 HZ2 LYS 12 16.253 -8.513 -1.138 102 HZ3 LYS 12 HZ3 LYS 12 16.631 -6.904 -1.479 103 H ASN 13 H ASN 13 12.410 -3.861 3.259 104 HA ASN 13 HA ASN 13 10.272 -5.692 2.446 105 HB2 ASN 13 HB2 ASN 13 12.259 -6.991 3.223 106 HB3 ASN 13 HB3 ASN 13 12.139 -6.171 4.774 107 HD21 ASN 13 HD21 ASN 13 10.654 -8.419 2.638 108 HD22 ASN 13 HD22 ASN 13 9.614 -9.194 3.761 109 HA PRO 14 HA PRO 14 8.492 -2.758 5.382 110 HB2 PRO 14 HB2 PRO 14 6.315 -2.267 3.726 111 HB3 PRO 14 HB3 PRO 14 7.777 -1.290 3.826 112 HG2 PRO 14 HG2 PRO 14 6.895 -2.838 1.619 113 HG3 PRO 14 HG3 PRO 14 8.427 -1.979 1.778 114 HD2 PRO 14 HD2 PRO 14 7.825 -4.853 2.162 115 HD3 PRO 14 HD3 PRO 14 9.345 -4.054 1.697 116 H SER 15 H SER 15 6.953 -3.193 6.882 117 HA SER 15 HA SER 15 5.330 -5.558 6.535 118 HB2 SER 15 HB2 SER 15 6.551 -5.168 8.693 119 HB3 SER 15 HB3 SER 15 5.630 -3.695 8.926 120 HG SER 15 HG SER 15 4.824 -6.367 9.092 121 H GLU 16 H GLU 16 3.054 -5.118 7.677 122 HA GLU 16 HA GLU 16 1.389 -3.849 5.857 123 HB2 GLU 16 HB2 GLU 16 0.750 -5.577 7.538 124 HB3 GLU 16 HB3 GLU 16 0.853 -4.345 8.782 125 HG2 GLU 16 HG2 GLU 16 -0.943 -3.107 7.568 126 HG3 GLU 16 HG3 GLU 16 -1.106 -4.507 6.511 127 H GLY 17 H GLY 17 2.773 -2.642 8.887 128 HA2 GLY 17 HA2 GLY 17 1.360 -0.223 9.089 129 HA3 GLY 17 HA3 GLY 17 2.920 -0.562 9.813 130 H GLU 18 H GLU 18 4.619 -0.830 7.834 131 HA GLU 18 HA GLU 18 5.261 1.709 6.896 132 HB2 GLU 18 HB2 GLU 18 5.980 -1.000 5.788 133 HB3 GLU 18 HB3 GLU 18 6.679 0.499 5.211 134 HG2 GLU 18 HG2 GLU 18 6.891 -0.531 8.027 135 HG3 GLU 18 HG3 GLU 18 8.115 -0.721 6.775 136 H CYS 19 H CYS 19 3.717 -0.971 5.228 137 HA CYS 19 HA CYS 19 3.410 0.317 2.794 138 HB2 CYS 19 HB2 CYS 19 1.959 -2.013 3.999 139 HB3 CYS 19 HB3 CYS 19 1.745 -1.492 2.334 140 H LYS 20 H LYS 20 1.066 -0.003 5.510 141 HA LYS 20 HA LYS 20 -0.937 1.326 4.024 142 HB2 LYS 20 HB2 LYS 20 -2.276 1.386 6.022 143 HB3 LYS 20 HB3 LYS 20 -1.448 -0.159 5.961 144 HG2 LYS 20 HG2 LYS 20 0.185 0.676 7.604 145 HG3 LYS 20 HG3 LYS 20 -0.686 2.206 7.672 146 HD2 LYS 20 HD2 LYS 20 -1.366 0.883 9.557 147 HD3 LYS 20 HD3 LYS 20 -2.712 0.931 8.420 148 HE2 LYS 20 HE2 LYS 20 -2.035 -1.275 7.562 149 HE3 LYS 20 HE3 LYS 20 -0.722 -1.309 8.736 150 HZ1 LYS 20 HZ1 LYS 20 -3.629 -1.331 9.306 151 HZ2 LYS 20 HZ2 LYS 20 -2.440 -1.167 10.483 152 HZ3 LYS 20 HZ3 LYS 20 -2.520 -2.583 9.570 153 H LYS 21 H LYS 21 1.615 2.422 6.094 154 HA LYS 21 HA LYS 21 0.719 5.059 6.477 155 HB2 LYS 21 HB2 LYS 21 2.603 3.868 7.693 156 HB3 LYS 21 HB3 LYS 21 3.592 4.134 6.271 157 HG2 LYS 21 HG2 LYS 21 4.099 5.796 7.946 158 HG3 LYS 21 HG3 LYS 21 3.314 6.570 6.566 159 HD2 LYS 21 HD2 LYS 21 1.192 6.590 7.752 160 HD3 LYS 21 HD3 LYS 21 1.916 5.739 9.111 161 HE2 LYS 21 HE2 LYS 21 1.697 8.138 9.556 162 HE3 LYS 21 HE3 LYS 21 3.385 7.638 9.528 163 HZ1 LYS 21 HZ1 LYS 21 3.622 8.530 7.354 164 HZ2 LYS 21 HZ2 LYS 21 2.964 9.732 8.318 165 HZ3 LYS 21 HZ3 LYS 21 1.991 8.888 7.216 166 H ALA 22 H ALA 22 2.897 3.593 4.095 167 HA ALA 22 HA ALA 22 3.327 5.907 2.565 168 HB1 ALA 22 HB1 ALA 22 3.438 3.029 1.682 169 HB2 ALA 22 HB2 ALA 22 4.754 3.926 2.439 170 HB3 ALA 22 HB3 ALA 22 4.164 4.402 0.846 171 H CYS 23 H CYS 23 1.027 3.206 2.108 172 HA CYS 23 HA CYS 23 -0.186 4.174 -0.209 173 HB2 CYS 23 HB2 CYS 23 -1.385 2.487 1.993 174 HB3 CYS 23 HB3 CYS 23 -2.158 2.785 0.442 175 H ALA 24 H ALA 24 -0.740 5.037 3.141 176 HA ALA 24 HA ALA 24 -3.104 6.504 2.536 177 HB1 ALA 24 HB1 ALA 24 -2.678 5.583 4.714 178 HB2 ALA 24 HB2 ALA 24 -2.916 7.332 4.809 179 HB3 ALA 24 HB3 ALA 24 -1.287 6.646 4.931 180 H ASP 25 H ASP 25 0.157 7.484 3.537 181 HA ASP 25 HA ASP 25 -0.271 10.215 3.226 182 HB2 ASP 25 HB2 ASP 25 2.232 8.594 3.467 183 HB3 ASP 25 HB3 ASP 25 2.303 10.328 3.188 184 H ALA 26 H ALA 26 0.847 7.887 0.874 185 HA ALA 26 HA ALA 26 1.451 10.059 -0.939 186 HB1 ALA 26 HB1 ALA 26 1.674 7.091 -1.403 187 HB2 ALA 26 HB2 ALA 26 2.971 8.132 -0.819 188 HB3 ALA 26 HB3 ALA 26 2.314 8.369 -2.439 189 H PHE 27 H PHE 27 -1.374 8.408 -0.125 190 HA PHE 27 HA PHE 27 -2.303 8.709 -2.893 191 HB2 PHE 27 HB2 PHE 27 -3.205 6.830 -0.759 192 HB3 PHE 27 HB3 PHE 27 -4.320 7.291 -2.037 193 HD1 PHE 27 HD1 PHE 27 -0.634 6.471 -2.070 194 HD2 PHE 27 HD2 PHE 27 -4.554 5.539 -3.471 195 HE1 PHE 27 HE1 PHE 27 0.283 4.813 -3.479 196 HE2 PHE 27 HE2 PHE 27 -3.590 3.811 -4.917 197 HZ PHE 27 HZ PHE 27 -1.181 3.440 -4.947 198 H ALA 28 H ALA 28 -3.134 9.273 0.461 199 HA ALA 28 HA ALA 28 -5.091 11.303 -0.373 200 HB1 ALA 28 HB1 ALA 28 -6.601 10.526 1.385 201 HB2 ALA 28 HB2 ALA 28 -5.458 9.231 1.771 202 HB3 ALA 28 HB3 ALA 28 -6.257 9.258 0.204 203 H ASN 29 H ASN 29 -2.288 11.292 0.663 204 HA ASN 29 HA ASN 29 -0.943 12.503 2.003 205 HB2 ASN 29 HB2 ASN 29 -3.437 14.181 2.321 206 HB3 ASN 29 HB3 ASN 29 -1.880 14.646 2.991 207 HD21 ASN 29 HD21 ASN 29 -3.462 16.019 1.038 208 HD22 ASN 29 HD22 ASN 29 -2.522 16.146 -0.395 209 H GLY 30 H GLY 30 -2.377 10.269 3.225 210 HA2 GLY 30 HA2 GLY 30 -1.445 9.655 5.448 211 HA3 GLY 30 HA3 GLY 30 -2.061 11.195 6.019 212 H ASP 31 H ASP 31 -4.318 9.962 3.952 213 HA ASP 31 HA ASP 31 -5.898 9.093 6.221 214 HB2 ASP 31 HB2 ASP 31 -7.021 10.596 4.709 215 HB3 ASP 31 HB3 ASP 31 -6.711 9.523 3.347 216 H GLN 32 H GLN 32 -6.013 7.099 6.830 217 HA GLN 32 HA GLN 32 -5.339 4.942 4.977 218 HB2 GLN 32 HB2 GLN 32 -5.718 4.889 7.988 219 HB3 GLN 32 HB3 GLN 32 -5.158 3.555 6.999 220 HG2 GLN 32 HG2 GLN 32 -3.192 4.846 6.378 221 HG3 GLN 32 HG3 GLN 32 -3.730 6.170 7.403 222 HE21 GLN 32 HE21 GLN 32 -1.298 4.629 7.495 223 HE22 GLN 32 HE22 GLN 32 -1.196 3.916 9.061 224 H SER 33 H SER 33 -8.017 6.473 5.147 225 HA SER 33 HA SER 33 -9.767 4.321 6.023 226 HB2 SER 33 HB2 SER 33 -10.563 7.046 5.018 227 HB3 SER 33 HB3 SER 33 -11.503 5.939 6.024 228 HG SER 33 HG SER 33 -9.615 7.761 6.657 229 H LYS 34 H LYS 34 -9.021 6.299 3.172 230 HA LYS 34 HA LYS 34 -10.747 4.978 1.345 231 HB2 LYS 34 HB2 LYS 34 -8.121 6.402 0.875 232 HB3 LYS 34 HB3 LYS 34 -9.206 5.900 -0.408 233 HG2 LYS 34 HG2 LYS 34 -10.917 7.416 0.402 234 HG3 LYS 34 HG3 LYS 34 -9.899 7.845 1.780 235 HD2 LYS 34 HD2 LYS 34 -8.233 8.776 0.296 236 HD3 LYS 34 HD3 LYS 34 -9.177 8.294 -1.109 237 HE2 LYS 34 HE2 LYS 34 -10.082 10.253 1.010 238 HE3 LYS 34 HE3 LYS 34 -9.392 10.707 -0.543 239 HZ1 LYS 34 HZ1 LYS 34 -11.952 9.239 -0.127 240 HZ2 LYS 34 HZ2 LYS 34 -11.255 9.577 -1.625 241 HZ3 LYS 34 HZ3 LYS 34 -11.763 10.829 -0.651 242 H ILE 35 H ILE 35 -7.709 4.241 2.659 243 HA ILE 35 HA ILE 35 -7.130 2.032 0.861 244 HB ILE 35 HB ILE 35 -5.662 2.943 3.360 245 HG12 ILE 35 HG12 ILE 35 -5.670 4.776 1.734 246 HG13 ILE 35 HG13 ILE 35 -4.060 4.091 1.878 247 HG21 ILE 35 HG21 ILE 35 -5.138 0.662 2.738 248 HG22 ILE 35 HG22 ILE 35 -3.750 1.709 2.440 249 HG23 ILE 35 HG23 ILE 35 -4.754 1.175 1.093 250 HD11 ILE 35 HD11 ILE 35 -4.571 4.620 -0.413 251 HD12 ILE 35 HD12 ILE 35 -6.017 3.609 -0.364 252 HD13 ILE 35 HD13 ILE 35 -4.418 2.870 -0.228 253 H ALA 36 H ALA 36 -8.032 0.111 1.319 254 HA ALA 36 HA ALA 36 -9.472 -0.388 3.726 255 HB1 ALA 36 HB1 ALA 36 -10.120 -1.394 1.583 256 HB2 ALA 36 HB2 ALA 36 -9.829 -2.630 2.805 257 HB3 ALA 36 HB3 ALA 36 -8.618 -2.316 1.564 258 H LYS 37 H LYS 37 -6.416 -1.448 2.396 259 HA LYS 37 HA LYS 37 -5.157 -1.806 4.876 260 HB2 LYS 37 HB2 LYS 37 -6.558 -3.895 4.847 261 HB3 LYS 37 HB3 LYS 37 -5.858 -4.310 3.292 262 HG2 LYS 37 HG2 LYS 37 -3.647 -4.488 4.358 263 HG3 LYS 37 HG3 LYS 37 -4.380 -4.109 5.912 264 HD2 LYS 37 HD2 LYS 37 -3.982 -6.523 5.573 265 HD3 LYS 37 HD3 LYS 37 -5.685 -6.144 5.837 266 HE2 LYS 37 HE2 LYS 37 -6.173 -6.420 3.515 267 HE3 LYS 37 HE3 LYS 37 -4.460 -6.483 3.102 268 HZ1 LYS 37 HZ1 LYS 37 -5.657 -8.656 3.171 269 HZ2 LYS 37 HZ2 LYS 37 -5.714 -8.523 4.858 270 HZ3 LYS 37 HZ3 LYS 37 -4.225 -8.530 4.026 271 H ALA 38 H ALA 38 -2.870 -2.649 4.361 272 HA ALA 38 HA ALA 38 -2.150 -2.648 1.576 273 HB1 ALA 38 HB1 ALA 38 -0.452 -0.939 1.888 274 HB2 ALA 38 HB2 ALA 38 -0.975 -0.714 3.550 275 HB3 ALA 38 HB3 ALA 38 -2.055 -0.272 2.218 276 H GLU 39 H GLU 39 -0.594 -4.120 1.324 277 HA GLU 39 HA GLU 39 0.989 -4.831 3.692 278 HB2 GLU 39 HB2 GLU 39 -0.447 -6.862 1.979 279 HB3 GLU 39 HB3 GLU 39 0.756 -7.259 3.191 280 HG2 GLU 39 HG2 GLU 39 -0.715 -6.226 4.902 281 HG3 GLU 39 HG3 GLU 39 -1.933 -5.995 3.651 282 H ASN 40 H ASN 40 2.775 -6.396 3.094 283 HA ASN 40 HA ASN 40 4.416 -5.160 1.158 284 HB2 ASN 40 HB2 ASN 40 5.340 -6.293 3.121 285 HB3 ASN 40 HB3 ASN 40 4.701 -7.827 2.551 286 HD21 ASN 40 HD21 ASN 40 6.328 -5.398 0.489 287 HD22 ASN 40 HD22 ASN 40 7.670 -6.411 0.153 288 H PHE 41 H PHE 41 4.526 -5.488 -0.948 289 HA PHE 41 HA PHE 41 3.063 -7.751 -2.065 290 HB2 PHE 41 HB2 PHE 41 2.453 -5.522 -2.889 291 HB3 PHE 41 HB3 PHE 41 4.118 -5.228 -3.354 292 HD1 PHE 41 HD1 PHE 41 4.880 -5.808 -5.485 293 HD2 PHE 41 HD2 PHE 41 1.232 -7.471 -4.037 294 HE1 PHE 41 HE1 PHE 41 4.447 -6.774 -7.689 295 HE2 PHE 41 HE2 PHE 41 0.801 -8.434 -6.241 296 HZ PHE 41 HZ PHE 41 2.403 -8.090 -8.073 297 H LYS 42 H LYS 42 6.183 -6.058 -2.286 298 HA LYS 42 HA LYS 42 7.583 -8.449 -2.933 299 HB2 LYS 42 HB2 LYS 42 6.450 -7.744 -5.092 300 HB3 LYS 42 HB3 LYS 42 7.317 -6.231 -4.998 301 HG2 LYS 42 HG2 LYS 42 9.401 -7.339 -5.344 302 HG3 LYS 42 HG3 LYS 42 8.629 -8.921 -5.215 303 HD2 LYS 42 HD2 LYS 42 7.251 -8.370 -7.190 304 HD3 LYS 42 HD3 LYS 42 8.125 -6.847 -7.341 305 HE2 LYS 42 HE2 LYS 42 10.200 -8.043 -7.703 306 HE3 LYS 42 HE3 LYS 42 9.383 -9.585 -7.446 307 HZ1 LYS 42 HZ1 LYS 42 8.054 -9.156 -9.409 308 HZ2 LYS 42 HZ2 LYS 42 9.690 -9.055 -9.818 309 HZ3 LYS 42 HZ3 LYS 42 8.787 -7.669 -9.623 310 H ASP 43 H ASP 43 9.971 -7.631 -3.352 311 HA ASP 43 HA ASP 43 10.783 -5.938 -1.281 312 HB2 ASP 43 HB2 ASP 43 12.259 -6.666 -3.842 313 HB3 ASP 43 HB3 ASP 43 12.980 -5.774 -2.521 314 H TYR 44 H TYR 44 10.613 -3.868 -1.060 315 HA TYR 44 HA TYR 44 10.372 -1.651 -1.425 316 HB2 TYR 44 HB2 TYR 44 11.534 -2.296 -4.141 317 HB3 TYR 44 HB3 TYR 44 11.151 -0.661 -3.623 318 HD1 TYR 44 HD1 TYR 44 12.347 0.294 -1.664 319 HD2 TYR 44 HD2 TYR 44 13.523 -3.355 -3.470 320 HE1 TYR 44 HE1 TYR 44 14.549 0.488 -0.593 321 HE2 TYR 44 HE2 TYR 44 15.710 -3.185 -2.410 322 HH TYR 44 HH TYR 44 17.150 -1.243 -1.554 323 H TYR 45 H TYR 45 8.229 -3.625 -2.164 324 HA TYR 45 HA TYR 45 6.505 -1.612 -3.411 325 HB2 TYR 45 HB2 TYR 45 6.685 -4.491 -4.270 326 HB3 TYR 45 HB3 TYR 45 5.326 -3.455 -4.657 327 HD1 TYR 45 HD1 TYR 45 8.538 -4.592 -5.707 328 HD2 TYR 45 HD2 TYR 45 5.857 -1.303 -5.977 329 HE1 TYR 45 HE1 TYR 45 9.662 -3.853 -7.744 330 HE2 TYR 45 HE2 TYR 45 6.979 -0.544 -8.010 331 HH TYR 45 HH TYR 45 9.196 -0.807 -9.104 332 H CYS 46 H CYS 46 4.588 -1.437 -2.633 333 HA CYS 46 HA CYS 46 3.632 -3.441 -0.711 334 HB2 CYS 46 HB2 CYS 46 3.439 -0.434 -0.542 335 HB3 CYS 46 HB3 CYS 46 2.456 -1.520 0.432 336 H ASN 47 H ASN 47 1.468 -3.925 -0.823 337 HA ASN 47 HA ASN 47 0.185 -2.946 -3.262 338 HB2 ASN 47 HB2 ASN 47 0.469 -5.391 -3.141 339 HB3 ASN 47 HB3 ASN 47 -0.417 -5.418 -1.617 340 HD21 ASN 47 HD21 ASN 47 -2.660 -5.363 -1.666 341 HD22 ASN 47 HD22 ASN 47 -3.540 -5.403 -3.134 342 H CYS 48 H CYS 48 -1.154 -1.387 -2.971 343 HA CYS 48 HA CYS 48 -2.452 -0.986 -0.409 344 HB2 CYS 48 HB2 CYS 48 -2.752 0.710 -2.924 345 HB3 CYS 48 HB3 CYS 48 -3.110 1.129 -1.256 346 H HIS 49 H HIS 49 -4.562 -1.409 -0.067 347 HA HIS 49 HA HIS 49 -6.082 -2.632 -2.249 348 HB2 HIS 49 HB2 HIS 49 -6.496 -2.703 0.763 349 HB3 HIS 49 HB3 HIS 49 -7.538 -3.488 -0.413 350 HD1 HIS 49 HD3 HIS 49 -7.101 -5.909 -0.518 351 HD2 HIS 49 HD2 HIS 49 -3.681 -3.751 0.414 352 HE1 HIS 49 HE1 HIS 49 -5.266 -7.620 -0.192 353 H ILE 50 H ILE 50 -7.139 -1.040 -3.221 354 HA ILE 50 HA ILE 50 -8.134 1.133 -1.541 355 HB ILE 50 HB ILE 50 -8.239 1.160 -4.559 356 HG12 ILE 50 HG12 ILE 50 -5.838 2.001 -2.905 357 HG13 ILE 50 HG13 ILE 50 -5.908 0.494 -3.804 358 HG21 ILE 50 HG21 ILE 50 -7.827 3.224 -2.414 359 HG22 ILE 50 HG22 ILE 50 -9.357 2.917 -3.245 360 HG23 ILE 50 HG23 ILE 50 -7.974 3.581 -4.137 361 HD11 ILE 50 HD11 ILE 50 -4.671 2.121 -5.042 362 HD12 ILE 50 HD12 ILE 50 -5.996 3.280 -4.932 363 HD13 ILE 50 HD13 ILE 50 -6.188 1.807 -5.883 364 H ILE 51 H ILE 51 -10.231 1.331 -1.174 365 HA ILE 51 HA ILE 51 -11.974 -0.827 -1.802 366 HB ILE 51 HB ILE 51 -12.591 1.851 -0.515 367 HG12 ILE 51 HG12 ILE 51 -11.972 -0.807 0.773 368 HG13 ILE 51 HG13 ILE 51 -10.832 0.531 0.641 369 HG21 ILE 51 HG21 ILE 51 -14.534 0.703 0.444 370 HG22 ILE 51 HG22 ILE 51 -14.125 -0.748 -0.474 371 HG23 ILE 51 HG23 ILE 51 -14.603 0.724 -1.319 372 HD11 ILE 51 HD11 ILE 51 -13.433 0.554 2.159 373 HD12 ILE 51 HD12 ILE 51 -12.298 1.899 2.028 374 HD13 ILE 51 HD13 ILE 51 -11.817 0.418 2.853 375 H ILE 52 H ILE 52 -13.327 -1.018 -3.491 376 HA ILE 52 HA ILE 52 -13.660 1.174 -5.366 377 HB ILE 52 HB ILE 52 -14.741 -1.669 -5.410 378 HG12 ILE 52 HG12 ILE 52 -12.294 -1.584 -5.597 379 HG13 ILE 52 HG13 ILE 52 -13.028 -2.128 -7.099 380 HG21 ILE 52 HG21 ILE 52 -14.769 0.372 -7.626 381 HG22 ILE 52 HG22 ILE 52 -16.169 -0.204 -6.731 382 HG23 ILE 52 HG23 ILE 52 -15.275 -1.313 -7.775 383 HD11 ILE 52 HD11 ILE 52 -12.722 0.125 -8.032 384 HD12 ILE 52 HD12 ILE 52 -11.204 -0.624 -7.550 385 HD13 ILE 52 HD13 ILE 52 -11.932 0.619 -6.533 386 H HIS 53 H HIS 53 -15.404 -0.350 -2.819 387 HA HIS 53 HA HIS 53 -18.003 0.604 -3.708 388 HB2 HIS 53 HB2 HIS 53 -17.271 -1.003 -1.245 389 HB3 HIS 53 HB3 HIS 53 -18.898 -0.678 -1.825 390 HD1 HIS 53 HD3 HIS 53 -19.878 -2.479 -3.304 391 HD2 HIS 53 HD2 HIS 53 -15.736 -2.654 -3.066 392 HE1 HIS 53 HE1 HIS 53 -19.203 -4.592 -4.497 Start of MODEL 18 1 H1 GLU 1 1HT GLU 1 -12.988 -5.814 -2.533 2 H2 GLU 1 2HT GLU 1 -12.835 -6.197 -4.186 3 H3 GLU 1 3HT GLU 1 -14.260 -6.515 -3.386 4 HA GLU 1 HA GLU 1 -14.329 -4.509 -4.809 5 HB2 GLU 1 HB2 GLU 1 -15.481 -3.131 -3.144 6 HB3 GLU 1 HB3 GLU 1 -15.921 -4.818 -2.963 7 HG2 GLU 1 HG2 GLU 1 -14.351 -4.998 -1.076 8 HG3 GLU 1 HG3 GLU 1 -13.973 -3.287 -1.254 9 H GLU 2 H GLU 2 -11.451 -4.874 -4.138 10 HA GLU 2 HA GLU 2 -10.831 -2.157 -3.296 11 HB2 GLU 2 HB2 GLU 2 -8.988 -4.548 -3.160 12 HB3 GLU 2 HB3 GLU 2 -8.707 -2.952 -2.504 13 HG2 GLU 2 HG2 GLU 2 -9.206 -4.201 -0.617 14 HG3 GLU 2 HG3 GLU 2 -10.752 -3.466 -1.007 15 H THR 3 H THR 3 -9.285 -1.105 -4.415 16 HA THR 3 HA THR 3 -8.507 -2.106 -7.034 17 HB THR 3 HB THR 3 -8.222 0.598 -5.734 18 HG1 THR 3 HG1 THR 3 -10.237 -0.600 -7.274 19 HG21 THR 3 HG21 THR 3 -7.813 1.437 -8.017 20 HG22 THR 3 HG22 THR 3 -7.968 -0.203 -8.637 21 HG23 THR 3 HG23 THR 3 -6.625 0.210 -7.567 22 H GLU 4 H GLU 4 -6.723 -3.256 -6.765 23 HA GLU 4 HA GLU 4 -4.936 -2.665 -4.561 24 HB2 GLU 4 HB2 GLU 4 -5.151 -5.048 -6.359 25 HB3 GLU 4 HB3 GLU 4 -3.910 -4.855 -5.131 26 HG2 GLU 4 HG2 GLU 4 -5.576 -4.775 -3.398 27 HG3 GLU 4 HG3 GLU 4 -6.865 -4.847 -4.603 28 H GLU 5 H GLU 5 -3.624 -1.182 -4.998 29 HA GLU 5 HA GLU 5 -2.292 -1.077 -7.610 30 HB2 GLU 5 HB2 GLU 5 -3.663 0.869 -6.825 31 HB3 GLU 5 HB3 GLU 5 -2.532 1.039 -5.489 32 HG2 GLU 5 HG2 GLU 5 -2.074 2.632 -7.261 33 HG3 GLU 5 HG3 GLU 5 -0.731 1.504 -7.056 34 HA PRO 6 HA PRO 6 1.327 -2.292 -5.117 35 HB2 PRO 6 HB2 PRO 6 2.627 -2.415 -7.757 36 HB3 PRO 6 HB3 PRO 6 2.439 -3.696 -6.555 37 HG2 PRO 6 HG2 PRO 6 1.072 -3.739 -8.869 38 HG3 PRO 6 HG3 PRO 6 0.365 -4.325 -7.354 39 HD2 PRO 6 HD2 PRO 6 -0.056 -1.693 -8.733 40 HD3 PRO 6 HD3 PRO 6 -1.242 -2.780 -7.974 41 H ILE 7 H ILE 7 2.408 -0.697 -4.223 42 HA ILE 7 HA ILE 7 3.323 1.592 -5.846 43 HB ILE 7 HB ILE 7 3.271 2.953 -3.785 44 HG12 ILE 7 HG12 ILE 7 2.355 0.527 -2.274 45 HG13 ILE 7 HG13 ILE 7 4.073 0.898 -2.390 46 HG21 ILE 7 HG21 ILE 7 0.836 1.304 -4.021 47 HG22 ILE 7 HG22 ILE 7 1.237 2.786 -4.903 48 HG23 ILE 7 HG23 ILE 7 1.037 2.815 -3.136 49 HD11 ILE 7 HD11 ILE 7 3.129 1.736 -0.348 50 HD12 ILE 7 HD12 ILE 7 1.943 2.681 -1.283 51 HD13 ILE 7 HD13 ILE 7 3.673 3.041 -1.407 52 H ARG 8 H ARG 8 5.441 2.471 -5.140 53 HA ARG 8 HA ARG 8 7.188 0.290 -4.303 54 HB2 ARG 8 HB2 ARG 8 8.070 2.945 -5.484 55 HB3 ARG 8 HB3 ARG 8 9.012 1.493 -5.174 56 HG2 ARG 8 HG2 ARG 8 7.679 0.298 -6.810 57 HG3 ARG 8 HG3 ARG 8 6.926 1.833 -7.272 58 HD2 ARG 8 HD2 ARG 8 8.841 1.251 -8.728 59 HD3 ARG 8 HD3 ARG 8 9.111 2.753 -7.836 60 HE ARG 8 HE ARG 8 10.343 1.231 -6.204 61 HH11 ARG 8 HH11 ARG 8 10.457 0.776 -9.716 62 HH12 ARG 8 HH12 ARG 8 11.897 -0.130 -9.678 63 HH21 ARG 8 HH21 ARG 8 12.288 0.097 -6.153 64 HH22 ARG 8 HH22 ARG 8 12.983 -0.519 -7.592 65 H HIS 9 H HIS 9 8.341 0.434 -2.498 66 HA HIS 9 HA HIS 9 7.975 2.838 -0.843 67 HB2 HIS 9 HB2 HIS 9 6.709 0.706 -0.131 68 HB3 HIS 9 HB3 HIS 9 8.288 0.023 0.231 69 HD1 HIS 9 HD3 HIS 9 9.259 0.602 2.549 70 HD2 HIS 9 HD2 HIS 9 6.003 2.949 1.479 71 HE1 HIS 9 HE1 HIS 9 8.685 1.968 4.574 72 H ALA 10 H ALA 10 9.785 2.976 0.847 73 HA ALA 10 HA ALA 10 12.312 2.653 -0.548 74 HB1 ALA 10 HB1 ALA 10 13.192 4.174 1.116 75 HB2 ALA 10 HB2 ALA 10 11.674 4.101 2.015 76 HB3 ALA 10 HB3 ALA 10 11.714 4.824 0.405 77 H LYS 11 H LYS 11 10.940 0.339 0.837 78 HA LYS 11 HA LYS 11 13.241 -0.479 2.449 79 HB2 LYS 11 HB2 LYS 11 10.337 -0.895 3.197 80 HB3 LYS 11 HB3 LYS 11 11.684 -1.693 3.973 81 HG2 LYS 11 HG2 LYS 11 11.197 1.276 3.965 82 HG3 LYS 11 HG3 LYS 11 10.757 0.177 5.269 83 HD2 LYS 11 HD2 LYS 11 13.179 -0.437 5.456 84 HD3 LYS 11 HD3 LYS 11 13.531 0.836 4.284 85 HE2 LYS 11 HE2 LYS 11 13.871 1.666 6.538 86 HE3 LYS 11 HE3 LYS 11 12.507 2.488 5.790 87 HZ1 LYS 11 HZ1 LYS 11 12.314 0.229 7.718 88 HZ2 LYS 11 HZ2 LYS 11 10.992 1.006 7.033 89 HZ3 LYS 11 HZ3 LYS 11 11.997 1.829 8.088 90 H LYS 12 H LYS 12 13.835 -2.542 2.032 91 HA LYS 12 HA LYS 12 12.976 -3.930 -0.225 92 HB2 LYS 12 HB2 LYS 12 15.127 -4.399 0.786 93 HB3 LYS 12 HB3 LYS 12 14.357 -4.910 2.278 94 HG2 LYS 12 HG2 LYS 12 13.373 -6.833 1.080 95 HG3 LYS 12 HG3 LYS 12 14.234 -6.334 -0.376 96 HD2 LYS 12 HD2 LYS 12 16.359 -6.645 0.700 97 HD3 LYS 12 HD3 LYS 12 15.575 -6.956 2.245 98 HE2 LYS 12 HE2 LYS 12 16.345 -9.027 1.200 99 HE3 LYS 12 HE3 LYS 12 14.595 -9.005 1.360 100 HZ1 LYS 12 HZ1 LYS 12 14.389 -8.559 -0.979 101 HZ2 LYS 12 HZ2 LYS 12 15.459 -9.857 -0.787 102 HZ3 LYS 12 HZ3 LYS 12 16.056 -8.333 -1.126 103 H ASN 13 H ASN 13 12.215 -4.501 3.170 104 HA ASN 13 HA ASN 13 9.691 -5.692 2.305 105 HB2 ASN 13 HB2 ASN 13 11.289 -7.527 2.941 106 HB3 ASN 13 HB3 ASN 13 11.411 -6.810 4.540 107 HD21 ASN 13 HD21 ASN 13 9.369 -8.579 2.339 108 HD22 ASN 13 HD22 ASN 13 8.213 -9.081 3.509 109 HA PRO 14 HA PRO 14 9.003 -2.337 5.271 110 HB2 PRO 14 HB2 PRO 14 6.576 -1.782 3.818 111 HB3 PRO 14 HB3 PRO 14 8.032 -0.794 3.933 112 HG2 PRO 14 HG2 PRO 14 7.202 -2.047 1.638 113 HG3 PRO 14 HG3 PRO 14 8.883 -1.612 1.966 114 HD2 PRO 14 HD2 PRO 14 7.507 -4.241 2.222 115 HD3 PRO 14 HD3 PRO 14 9.151 -3.867 1.653 116 H SER 15 H SER 15 7.643 -2.175 6.934 117 HA SER 15 HA SER 15 6.133 -4.462 7.709 118 HB2 SER 15 HB2 SER 15 6.160 -1.733 8.978 119 HB3 SER 15 HB3 SER 15 5.896 -3.293 9.760 120 HG SER 15 HG SER 15 8.263 -2.184 8.728 121 H GLU 16 H GLU 16 3.798 -4.157 8.534 122 HA GLU 16 HA GLU 16 2.128 -3.309 6.443 123 HB2 GLU 16 HB2 GLU 16 1.383 -3.729 9.337 124 HB3 GLU 16 HB3 GLU 16 0.256 -3.615 7.997 125 HG2 GLU 16 HG2 GLU 16 1.357 -5.627 7.025 126 HG3 GLU 16 HG3 GLU 16 2.264 -5.773 8.531 127 H GLY 17 H GLY 17 2.927 -1.724 9.523 128 HA2 GLY 17 HA2 GLY 17 1.294 0.518 9.235 129 HA3 GLY 17 HA3 GLY 17 2.814 0.487 10.123 130 H GLU 18 H GLU 18 4.523 -0.105 8.008 131 HA GLU 18 HA GLU 18 5.050 2.458 6.966 132 HB2 GLU 18 HB2 GLU 18 6.127 -0.232 6.113 133 HB3 GLU 18 HB3 GLU 18 6.771 1.316 5.593 134 HG2 GLU 18 HG2 GLU 18 7.343 1.839 7.919 135 HG3 GLU 18 HG3 GLU 18 6.725 0.266 8.416 136 H CYS 19 H CYS 19 4.017 -0.541 5.315 137 HA CYS 19 HA CYS 19 3.596 0.623 2.816 138 HB2 CYS 19 HB2 CYS 19 2.327 -1.862 4.020 139 HB3 CYS 19 HB3 CYS 19 2.115 -1.389 2.368 140 H LYS 20 H LYS 20 1.278 0.028 5.459 141 HA LYS 20 HA LYS 20 -1.005 0.853 4.058 142 HB2 LYS 20 HB2 LYS 20 -0.979 -0.501 6.118 143 HB3 LYS 20 HB3 LYS 20 -0.514 0.916 7.036 144 HG2 LYS 20 HG2 LYS 20 -2.642 1.986 6.495 145 HG3 LYS 20 HG3 LYS 20 -3.104 0.590 5.518 146 HD2 LYS 20 HD2 LYS 20 -2.555 0.561 8.498 147 HD3 LYS 20 HD3 LYS 20 -4.149 0.510 7.746 148 HE2 LYS 20 HE2 LYS 20 -3.566 -1.628 6.667 149 HE3 LYS 20 HE3 LYS 20 -1.976 -1.570 7.417 150 HZ1 LYS 20 HZ1 LYS 20 -3.445 -3.017 8.616 151 HZ2 LYS 20 HZ2 LYS 20 -4.557 -1.791 8.861 152 HZ3 LYS 20 HZ3 LYS 20 -3.024 -1.702 9.580 153 H LYS 21 H LYS 21 1.211 2.690 6.149 154 HA LYS 21 HA LYS 21 -0.359 5.028 5.907 155 HB2 LYS 21 HB2 LYS 21 1.187 4.693 7.803 156 HB3 LYS 21 HB3 LYS 21 2.549 4.800 6.698 157 HG2 LYS 21 HG2 LYS 21 2.251 6.898 7.874 158 HG3 LYS 21 HG3 LYS 21 1.917 7.110 6.155 159 HD2 LYS 21 HD2 LYS 21 -0.511 6.910 6.639 160 HD3 LYS 21 HD3 LYS 21 -0.131 6.792 8.357 161 HE2 LYS 21 HE2 LYS 21 0.501 9.104 6.545 162 HE3 LYS 21 HE3 LYS 21 -0.819 9.054 7.712 163 HZ1 LYS 21 HZ1 LYS 21 0.880 8.809 9.468 164 HZ2 LYS 21 HZ2 LYS 21 1.017 10.247 8.633 165 HZ3 LYS 21 HZ3 LYS 21 2.094 8.998 8.307 166 H ALA 22 H ALA 22 2.383 3.728 4.120 167 HA ALA 22 HA ALA 22 2.883 6.010 2.545 168 HB1 ALA 22 HB1 ALA 22 3.325 3.101 1.874 169 HB2 ALA 22 HB2 ALA 22 4.465 4.149 2.718 170 HB3 ALA 22 HB3 ALA 22 4.047 4.470 1.033 171 H CYS 23 H CYS 23 0.882 3.153 2.004 172 HA CYS 23 HA CYS 23 -0.215 3.766 -0.475 173 HB2 CYS 23 HB2 CYS 23 -1.507 2.386 1.882 174 HB3 CYS 23 HB3 CYS 23 -2.150 2.363 0.248 175 H ALA 24 H ALA 24 -1.326 4.639 2.764 176 HA ALA 24 HA ALA 24 -3.606 6.048 1.931 177 HB1 ALA 24 HB1 ALA 24 -1.982 6.366 4.444 178 HB2 ALA 24 HB2 ALA 24 -3.287 5.206 4.188 179 HB3 ALA 24 HB3 ALA 24 -3.633 6.937 4.190 180 H ASP 25 H ASP 25 -0.427 7.210 2.996 181 HA ASP 25 HA ASP 25 -0.890 9.937 2.759 182 HB2 ASP 25 HB2 ASP 25 1.009 8.957 3.969 183 HB3 ASP 25 HB3 ASP 25 1.725 8.461 2.443 184 H ALA 26 H ALA 26 0.294 7.679 0.329 185 HA ALA 26 HA ALA 26 0.719 9.815 -1.552 186 HB1 ALA 26 HB1 ALA 26 1.464 8.111 -3.077 187 HB2 ALA 26 HB2 ALA 26 0.869 6.851 -1.996 188 HB3 ALA 26 HB3 ALA 26 2.204 7.886 -1.491 189 H PHE 27 H PHE 27 -2.040 7.953 -0.707 190 HA PHE 27 HA PHE 27 -3.099 8.519 -3.392 191 HB2 PHE 27 HB2 PHE 27 -3.588 6.114 -1.681 192 HB3 PHE 27 HB3 PHE 27 -4.749 6.593 -2.913 193 HD1 PHE 27 HD1 PHE 27 -1.740 4.682 -2.296 194 HD2 PHE 27 HD2 PHE 27 -3.810 6.973 -5.270 195 HE1 PHE 27 HE1 PHE 27 -0.527 3.559 -4.010 196 HE2 PHE 27 HE2 PHE 27 -2.526 5.834 -7.002 197 HZ PHE 27 HZ PHE 27 -0.868 4.119 -6.383 198 H ALA 28 H ALA 28 -4.014 8.242 -0.025 199 HA ALA 28 HA ALA 28 -6.393 9.844 -0.613 200 HB1 ALA 28 HB1 ALA 28 -6.818 7.632 0.362 201 HB2 ALA 28 HB2 ALA 28 -7.327 8.933 1.434 202 HB3 ALA 28 HB3 ALA 28 -5.827 8.062 1.755 203 H ASN 29 H ASN 29 -3.451 10.432 0.021 204 HA ASN 29 HA ASN 29 -2.229 12.092 0.911 205 HB2 ASN 29 HB2 ASN 29 -4.942 13.344 1.350 206 HB3 ASN 29 HB3 ASN 29 -3.432 14.178 1.697 207 HD21 ASN 29 HD21 ASN 29 -5.553 14.793 -0.218 208 HD22 ASN 29 HD22 ASN 29 -4.801 14.859 -1.761 209 H GLY 30 H GLY 30 -3.269 9.896 2.643 210 HA2 GLY 30 HA2 GLY 30 -1.951 9.708 4.777 211 HA3 GLY 30 HA3 GLY 30 -2.718 11.224 5.230 212 H ASP 31 H ASP 31 -5.189 10.125 3.834 213 HA ASP 31 HA ASP 31 -6.386 9.087 6.207 214 HB2 ASP 31 HB2 ASP 31 -7.720 10.517 4.868 215 HB3 ASP 31 HB3 ASP 31 -7.450 9.540 3.429 216 H GLN 32 H GLN 32 -6.446 7.090 6.849 217 HA GLN 32 HA GLN 32 -5.850 4.949 4.989 218 HB2 GLN 32 HB2 GLN 32 -6.032 4.962 8.001 219 HB3 GLN 32 HB3 GLN 32 -5.573 3.578 7.021 220 HG2 GLN 32 HG2 GLN 32 -3.665 4.852 6.159 221 HG3 GLN 32 HG3 GLN 32 -4.111 6.193 7.198 222 HE21 GLN 32 HE21 GLN 32 -1.715 4.532 7.083 223 HE22 GLN 32 HE22 GLN 32 -1.501 3.920 8.693 224 H SER 33 H SER 33 -8.615 6.446 5.678 225 HA SER 33 HA SER 33 -10.204 4.185 6.444 226 HB2 SER 33 HB2 SER 33 -10.771 6.521 7.123 227 HB3 SER 33 HB3 SER 33 -11.079 6.907 5.432 228 HG SER 33 HG SER 33 -12.818 5.672 5.427 229 H LYS 34 H LYS 34 -9.030 5.573 3.557 230 HA LYS 34 HA LYS 34 -10.946 4.145 1.891 231 HB2 LYS 34 HB2 LYS 34 -8.566 5.832 1.108 232 HB3 LYS 34 HB3 LYS 34 -9.790 5.210 0.007 233 HG2 LYS 34 HG2 LYS 34 -11.489 6.523 1.153 234 HG3 LYS 34 HG3 LYS 34 -10.266 7.129 2.264 235 HD2 LYS 34 HD2 LYS 34 -9.069 8.098 0.299 236 HD3 LYS 34 HD3 LYS 34 -10.445 7.617 -0.704 237 HE2 LYS 34 HE2 LYS 34 -10.689 9.925 -0.051 238 HE3 LYS 34 HE3 LYS 34 -11.928 8.954 0.745 239 HZ1 LYS 34 HZ1 LYS 34 -9.470 10.100 1.932 240 HZ2 LYS 34 HZ2 LYS 34 -10.330 8.921 2.725 241 HZ3 LYS 34 HZ3 LYS 34 -11.054 10.406 2.376 242 H ILE 35 H ILE 35 -8.403 3.254 3.612 243 HA ILE 35 HA ILE 35 -7.332 1.451 1.567 244 HB ILE 35 HB ILE 35 -6.124 2.227 4.248 245 HG12 ILE 35 HG12 ILE 35 -6.049 4.115 2.677 246 HG13 ILE 35 HG13 ILE 35 -4.436 3.479 2.965 247 HG21 ILE 35 HG21 ILE 35 -4.093 1.078 3.453 248 HG22 ILE 35 HG22 ILE 35 -4.971 0.555 2.013 249 HG23 ILE 35 HG23 ILE 35 -5.468 -0.017 3.599 250 HD11 ILE 35 HD11 ILE 35 -4.532 2.309 0.805 251 HD12 ILE 35 HD12 ILE 35 -4.742 4.051 0.630 252 HD13 ILE 35 HD13 ILE 35 -6.142 2.981 0.530 253 H ALA 36 H ALA 36 -7.861 -0.633 1.741 254 HA ALA 36 HA ALA 36 -9.381 -1.542 4.028 255 HB1 ALA 36 HB1 ALA 36 -9.568 -3.652 2.767 256 HB2 ALA 36 HB2 ALA 36 -8.448 -3.026 1.557 257 HB3 ALA 36 HB3 ALA 36 -10.028 -2.271 1.769 258 H LYS 37 H LYS 37 -6.300 -2.159 2.441 259 HA LYS 37 HA LYS 37 -4.888 -2.566 4.805 260 HB2 LYS 37 HB2 LYS 37 -4.183 -4.929 4.348 261 HB3 LYS 37 HB3 LYS 37 -5.828 -4.761 4.969 262 HG2 LYS 37 HG2 LYS 37 -6.706 -5.147 2.739 263 HG3 LYS 37 HG3 LYS 37 -5.074 -5.186 2.078 264 HD2 LYS 37 HD2 LYS 37 -6.003 -7.450 2.361 265 HD3 LYS 37 HD3 LYS 37 -4.577 -7.196 3.365 266 HE2 LYS 37 HE2 LYS 37 -5.987 -6.807 5.303 267 HE3 LYS 37 HE3 LYS 37 -7.433 -6.982 4.314 268 HZ1 LYS 37 HZ1 LYS 37 -6.853 -8.948 5.614 269 HZ2 LYS 37 HZ2 LYS 37 -5.417 -9.128 4.757 270 HZ3 LYS 37 HZ3 LYS 37 -6.918 -9.281 3.969 271 H ALA 38 H ALA 38 -2.665 -3.445 4.228 272 HA ALA 38 HA ALA 38 -1.868 -3.028 1.491 273 HB1 ALA 38 HB1 ALA 38 -0.096 -1.466 2.148 274 HB2 ALA 38 HB2 ALA 38 -0.715 -1.457 3.797 275 HB3 ALA 38 HB3 ALA 38 -1.692 -0.796 2.481 276 H GLU 39 H GLU 39 -0.305 -4.440 1.042 277 HA GLU 39 HA GLU 39 1.031 -5.755 3.290 278 HB2 GLU 39 HB2 GLU 39 -1.034 -7.026 2.696 279 HB3 GLU 39 HB3 GLU 39 -0.410 -7.228 1.070 280 HG2 GLU 39 HG2 GLU 39 1.435 -8.545 1.911 281 HG3 GLU 39 HG3 GLU 39 0.893 -8.271 3.564 282 H ASN 40 H ASN 40 2.893 -7.029 2.569 283 HA ASN 40 HA ASN 40 4.528 -5.637 0.742 284 HB2 ASN 40 HB2 ASN 40 5.480 -6.917 2.598 285 HB3 ASN 40 HB3 ASN 40 4.855 -8.410 1.910 286 HD21 ASN 40 HD21 ASN 40 7.246 -5.950 1.659 287 HD22 ASN 40 HD22 ASN 40 8.269 -6.782 0.532 288 H PHE 41 H PHE 41 4.697 -5.799 -1.359 289 HA PHE 41 HA PHE 41 3.233 -7.913 -2.762 290 HB2 PHE 41 HB2 PHE 41 2.718 -5.605 -3.410 291 HB3 PHE 41 HB3 PHE 41 4.413 -5.292 -3.708 292 HD1 PHE 41 HD1 PHE 41 5.433 -5.866 -5.780 293 HD2 PHE 41 HD2 PHE 41 1.436 -7.102 -4.962 294 HE1 PHE 41 HE1 PHE 41 5.163 -6.483 -8.119 295 HE2 PHE 41 HE2 PHE 41 1.154 -7.723 -7.323 296 HZ PHE 41 HZ PHE 41 3.015 -7.418 -8.910 297 H LYS 42 H LYS 42 6.410 -6.384 -2.535 298 HA LYS 42 HA LYS 42 7.877 -8.670 -3.226 299 HB2 LYS 42 HB2 LYS 42 6.962 -8.128 -5.490 300 HB3 LYS 42 HB3 LYS 42 7.526 -6.486 -5.338 301 HG2 LYS 42 HG2 LYS 42 8.877 -7.809 -6.883 302 HG3 LYS 42 HG3 LYS 42 9.812 -7.220 -5.518 303 HD2 LYS 42 HD2 LYS 42 9.798 -9.401 -4.495 304 HD3 LYS 42 HD3 LYS 42 8.653 -10.003 -5.691 305 HE2 LYS 42 HE2 LYS 42 10.977 -10.752 -6.126 306 HE3 LYS 42 HE3 LYS 42 10.313 -9.806 -7.448 307 HZ1 LYS 42 HZ1 LYS 42 11.590 -7.894 -6.674 308 HZ2 LYS 42 HZ2 LYS 42 12.589 -9.190 -6.954 309 HZ3 LYS 42 HZ3 LYS 42 12.183 -8.789 -5.365 310 H ASP 43 H ASP 43 10.290 -7.636 -3.665 311 HA ASP 43 HA ASP 43 10.952 -6.122 -1.390 312 HB2 ASP 43 HB2 ASP 43 12.613 -6.183 -3.913 313 HB3 ASP 43 HB3 ASP 43 13.159 -5.968 -2.265 314 H TYR 44 H TYR 44 10.622 -4.068 -1.043 315 HA TYR 44 HA TYR 44 10.384 -1.851 -1.281 316 HB2 TYR 44 HB2 TYR 44 11.491 -2.268 -4.067 317 HB3 TYR 44 HB3 TYR 44 11.117 -0.696 -3.378 318 HD1 TYR 44 HD1 TYR 44 13.410 -3.541 -3.323 319 HD2 TYR 44 HD2 TYR 44 12.511 0.248 -1.644 320 HE1 TYR 44 HE1 TYR 44 15.651 -3.453 -2.353 321 HE2 TYR 44 HE2 TYR 44 14.748 0.361 -0.661 322 HH TYR 44 HH TYR 44 16.502 -1.257 0.021 323 H TYR 45 H TYR 45 8.322 -3.904 -2.212 324 HA TYR 45 HA TYR 45 6.579 -1.893 -3.455 325 HB2 TYR 45 HB2 TYR 45 6.800 -4.794 -4.240 326 HB3 TYR 45 HB3 TYR 45 5.475 -3.741 -4.711 327 HD1 TYR 45 HD1 TYR 45 5.968 -1.765 -6.121 328 HD2 TYR 45 HD2 TYR 45 8.832 -4.810 -5.450 329 HE1 TYR 45 HE1 TYR 45 7.216 -1.037 -8.118 330 HE2 TYR 45 HE2 TYR 45 10.082 -4.105 -7.423 331 HH TYR 45 HH TYR 45 9.725 -2.919 -9.469 332 H CYS 46 H CYS 46 4.683 -1.716 -2.719 333 HA CYS 46 HA CYS 46 3.688 -3.696 -0.780 334 HB2 CYS 46 HB2 CYS 46 3.321 -0.686 -0.632 335 HB3 CYS 46 HB3 CYS 46 2.591 -1.858 0.457 336 H ASN 47 H ASN 47 1.664 -4.373 -1.181 337 HA ASN 47 HA ASN 47 0.320 -3.251 -3.515 338 HB2 ASN 47 HB2 ASN 47 0.680 -5.732 -3.402 339 HB3 ASN 47 HB3 ASN 47 -0.278 -5.775 -1.929 340 HD21 ASN 47 HD21 ASN 47 -2.502 -5.840 -2.104 341 HD22 ASN 47 HD22 ASN 47 -3.310 -5.914 -3.613 342 H CYS 48 H CYS 48 -0.980 -1.680 -3.106 343 HA CYS 48 HA CYS 48 -2.118 -1.368 -0.471 344 HB2 CYS 48 HB2 CYS 48 -2.228 0.467 -2.888 345 HB3 CYS 48 HB3 CYS 48 -2.682 0.833 -1.220 346 H HIS 49 H HIS 49 -4.145 -1.980 -0.030 347 HA HIS 49 HA HIS 49 -5.832 -2.747 -2.272 348 HB2 HIS 49 HB2 HIS 49 -6.108 -3.314 0.698 349 HB3 HIS 49 HB3 HIS 49 -7.138 -3.970 -0.568 350 HD1 HIS 49 HD3 HIS 49 -6.551 -6.399 -1.027 351 HD2 HIS 49 HD2 HIS 49 -3.240 -4.161 0.123 352 HE1 HIS 49 HE1 HIS 49 -4.627 -8.004 -0.928 353 H ILE 50 H ILE 50 -6.479 -0.749 -2.844 354 HA ILE 50 HA ILE 50 -7.403 1.076 -0.793 355 HB ILE 50 HB ILE 50 -7.379 1.553 -3.788 356 HG12 ILE 50 HG12 ILE 50 -5.122 2.111 -1.841 357 HG13 ILE 50 HG13 ILE 50 -5.118 0.785 -2.994 358 HG21 ILE 50 HG21 ILE 50 -8.596 3.133 -2.351 359 HG22 ILE 50 HG22 ILE 50 -7.139 3.892 -3.032 360 HG23 ILE 50 HG23 ILE 50 -7.143 3.299 -1.365 361 HD11 ILE 50 HD11 ILE 50 -5.188 2.390 -4.833 362 HD12 ILE 50 HD12 ILE 50 -3.792 2.657 -3.786 363 HD13 ILE 50 HD13 ILE 50 -5.197 3.717 -3.670 364 H ILE 51 H ILE 51 -9.520 1.398 -0.428 365 HA ILE 51 HA ILE 51 -11.398 -0.424 -1.573 366 HB ILE 51 HB ILE 51 -11.889 2.001 0.205 367 HG12 ILE 51 HG12 ILE 51 -11.589 -0.915 0.958 368 HG13 ILE 51 HG13 ILE 51 -10.352 0.312 1.191 369 HG21 ILE 51 HG21 ILE 51 -14.011 0.871 0.770 370 HG22 ILE 51 HG22 ILE 51 -13.642 -0.390 -0.408 371 HG23 ILE 51 HG23 ILE 51 -13.916 1.266 -0.948 372 HD11 ILE 51 HD11 ILE 51 -11.527 -0.164 3.258 373 HD12 ILE 51 HD12 ILE 51 -13.062 0.246 2.493 374 HD13 ILE 51 HD13 ILE 51 -11.839 1.494 2.738 375 H ILE 52 H ILE 52 -12.733 -0.073 -3.266 376 HA ILE 52 HA ILE 52 -12.249 2.007 -5.072 377 HB ILE 52 HB ILE 52 -14.664 0.199 -4.866 378 HG12 ILE 52 HG12 ILE 52 -12.201 -0.012 -6.615 379 HG13 ILE 52 HG13 ILE 52 -12.519 -0.979 -5.183 380 HG21 ILE 52 HG21 ILE 52 -15.084 0.755 -7.231 381 HG22 ILE 52 HG22 ILE 52 -13.766 1.925 -7.179 382 HG23 ILE 52 HG23 ILE 52 -15.205 2.174 -6.191 383 HD11 ILE 52 HD11 ILE 52 -14.465 -1.966 -6.280 384 HD12 ILE 52 HD12 ILE 52 -12.991 -2.222 -7.215 385 HD13 ILE 52 HD13 ILE 52 -14.151 -0.988 -7.713 386 H HIS 53 H HIS 53 -15.112 1.513 -2.992 387 HA HIS 53 HA HIS 53 -15.836 4.281 -3.542 388 HB2 HIS 53 HB2 HIS 53 -17.542 2.485 -3.924 389 HB3 HIS 53 HB3 HIS 53 -17.494 2.112 -2.213 390 HD1 HIS 53 HD3 HIS 53 -18.809 4.614 -4.650 391 HD2 HIS 53 HD2 HIS 53 -18.850 3.909 -0.563 392 HE1 HIS 53 HE1 HIS 53 -20.505 6.217 -3.702 Start of MODEL 19 1 H1 GLU 1 1HT GLU 1 -15.974 -2.869 -3.567 2 H2 GLU 1 2HT GLU 1 -15.195 -4.338 -3.425 3 H3 GLU 1 3HT GLU 1 -16.425 -4.173 -4.562 4 HA GLU 1 HA GLU 1 -14.315 -4.244 -5.590 5 HB2 GLU 1 HB2 GLU 1 -15.594 -1.521 -5.612 6 HB3 GLU 1 HB3 GLU 1 -14.271 -1.949 -6.690 7 HG2 GLU 1 HG2 GLU 1 -15.593 -3.710 -7.664 8 HG3 GLU 1 HG3 GLU 1 -16.904 -3.387 -6.536 9 H GLU 2 H GLU 2 -12.298 -4.287 -5.174 10 HA GLU 2 HA GLU 2 -11.068 -2.241 -3.450 11 HB2 GLU 2 HB2 GLU 2 -11.429 -4.438 -2.318 12 HB3 GLU 2 HB3 GLU 2 -10.454 -5.199 -3.559 13 HG2 GLU 2 HG2 GLU 2 -8.574 -3.660 -2.824 14 HG3 GLU 2 HG3 GLU 2 -9.603 -3.229 -1.484 15 H THR 3 H THR 3 -9.486 -1.219 -4.563 16 HA THR 3 HA THR 3 -8.421 -2.424 -7.005 17 HB THR 3 HB THR 3 -7.846 0.327 -5.902 18 HG1 THR 3 HG1 THR 3 -10.012 -0.589 -7.505 19 HG21 THR 3 HG21 THR 3 -6.397 -0.440 -7.707 20 HG22 THR 3 HG22 THR 3 -7.471 0.842 -8.282 21 HG23 THR 3 HG23 THR 3 -7.808 -0.839 -8.686 22 H GLU 4 H GLU 4 -6.415 -3.321 -6.963 23 HA GLU 4 HA GLU 4 -4.742 -2.779 -4.639 24 HB2 GLU 4 HB2 GLU 4 -4.782 -5.084 -6.573 25 HB3 GLU 4 HB3 GLU 4 -3.554 -4.855 -5.332 26 HG2 GLU 4 HG2 GLU 4 -5.202 -5.024 -3.599 27 HG3 GLU 4 HG3 GLU 4 -6.496 -5.111 -4.793 28 H GLU 5 H GLU 5 -3.236 -1.424 -4.940 29 HA GLU 5 HA GLU 5 -2.083 -1.067 -7.628 30 HB2 GLU 5 HB2 GLU 5 -3.458 0.831 -6.710 31 HB3 GLU 5 HB3 GLU 5 -2.276 0.985 -5.423 32 HG2 GLU 5 HG2 GLU 5 -1.778 2.631 -7.057 33 HG3 GLU 5 HG3 GLU 5 -0.540 1.379 -7.183 34 HA PRO 6 HA PRO 6 1.602 -2.273 -5.233 35 HB2 PRO 6 HB2 PRO 6 2.948 -2.376 -7.806 36 HB3 PRO 6 HB3 PRO 6 2.615 -3.696 -6.686 37 HG2 PRO 6 HG2 PRO 6 1.389 -3.458 -9.111 38 HG3 PRO 6 HG3 PRO 6 0.637 -4.246 -7.714 39 HD2 PRO 6 HD2 PRO 6 0.187 -1.505 -8.816 40 HD3 PRO 6 HD3 PRO 6 -0.974 -2.667 -8.134 41 H ILE 7 H ILE 7 2.520 -0.578 -4.319 42 HA ILE 7 HA ILE 7 3.470 1.695 -5.953 43 HB ILE 7 HB ILE 7 3.337 3.080 -3.915 44 HG12 ILE 7 HG12 ILE 7 2.338 0.694 -2.409 45 HG13 ILE 7 HG13 ILE 7 4.075 1.002 -2.473 46 HG21 ILE 7 HG21 ILE 7 0.980 1.334 -4.309 47 HG22 ILE 7 HG22 ILE 7 1.348 2.864 -5.120 48 HG23 ILE 7 HG23 ILE 7 1.020 2.823 -3.382 49 HD11 ILE 7 HD11 ILE 7 1.956 2.850 -1.440 50 HD12 ILE 7 HD12 ILE 7 3.691 3.193 -1.554 51 HD13 ILE 7 HD13 ILE 7 3.116 1.910 -0.477 52 H ARG 8 H ARG 8 5.479 2.729 -5.024 53 HA ARG 8 HA ARG 8 7.389 0.573 -4.485 54 HB2 ARG 8 HB2 ARG 8 7.985 3.388 -5.414 55 HB3 ARG 8 HB3 ARG 8 9.099 2.027 -5.343 56 HG2 ARG 8 HG2 ARG 8 7.671 0.885 -6.983 57 HG3 ARG 8 HG3 ARG 8 6.790 2.398 -7.188 58 HD2 ARG 8 HD2 ARG 8 9.727 1.925 -7.684 59 HD3 ARG 8 HD3 ARG 8 8.471 2.177 -8.890 60 HE ARG 8 HE ARG 8 8.677 4.359 -7.065 61 HH11 ARG 8 HH11 ARG 8 9.990 2.971 -10.039 62 HH12 ARG 8 HH12 ARG 8 10.653 4.447 -10.586 63 HH21 ARG 8 HH21 ARG 8 9.628 6.402 -7.845 64 HH22 ARG 8 HH22 ARG 8 10.450 6.382 -9.340 65 H HIS 9 H HIS 9 8.442 0.506 -2.593 66 HA HIS 9 HA HIS 9 8.389 2.872 -0.857 67 HB2 HIS 9 HB2 HIS 9 6.604 1.188 -0.213 68 HB3 HIS 9 HB3 HIS 9 7.886 0.015 0.041 69 HD1 HIS 9 HD3 HIS 9 9.480 0.481 2.137 70 HD2 HIS 9 HD2 HIS 9 6.139 2.921 1.831 71 HE1 HIS 9 HE1 HIS 9 9.208 1.580 4.393 72 H ALA 10 H ALA 10 10.419 3.256 -0.012 73 HA ALA 10 HA ALA 10 12.490 1.515 -0.954 74 HB1 ALA 10 HB1 ALA 10 12.795 4.015 0.704 75 HB2 ALA 10 HB2 ALA 10 12.764 3.961 -1.058 76 HB3 ALA 10 HB3 ALA 10 14.073 3.173 -0.174 77 H LYS 11 H LYS 11 11.800 -0.306 0.245 78 HA LYS 11 HA LYS 11 13.504 -0.920 2.391 79 HB2 LYS 11 HB2 LYS 11 11.689 0.341 3.633 80 HB3 LYS 11 HB3 LYS 11 10.522 -0.783 2.981 81 HG2 LYS 11 HG2 LYS 11 11.010 -1.350 5.268 82 HG3 LYS 11 HG3 LYS 11 11.612 -2.616 4.204 83 HD2 LYS 11 HD2 LYS 11 13.216 -2.106 5.990 84 HD3 LYS 11 HD3 LYS 11 13.872 -1.716 4.402 85 HE2 LYS 11 HE2 LYS 11 13.434 0.627 4.742 86 HE3 LYS 11 HE3 LYS 11 12.616 0.295 6.266 87 HZ1 LYS 11 HZ1 LYS 11 14.683 -0.495 7.169 88 HZ2 LYS 11 HZ2 LYS 11 14.884 1.072 6.583 89 HZ3 LYS 11 HZ3 LYS 11 15.482 -0.236 5.696 90 H LYS 12 H LYS 12 13.811 -3.116 2.133 91 HA LYS 12 HA LYS 12 12.801 -4.474 -0.074 92 HB2 LYS 12 HB2 LYS 12 14.860 -5.113 1.091 93 HB3 LYS 12 HB3 LYS 12 13.928 -5.617 2.486 94 HG2 LYS 12 HG2 LYS 12 12.808 -7.294 0.965 95 HG3 LYS 12 HG3 LYS 12 14.058 -6.900 -0.219 96 HD2 LYS 12 HD2 LYS 12 15.787 -7.518 1.393 97 HD3 LYS 12 HD3 LYS 12 14.547 -7.872 2.588 98 HE2 LYS 12 HE2 LYS 12 15.043 -9.298 -0.006 99 HE3 LYS 12 HE3 LYS 12 15.282 -9.940 1.618 100 HZ1 LYS 12 HZ1 LYS 12 12.758 -9.307 0.236 101 HZ2 LYS 12 HZ2 LYS 12 12.775 -9.600 1.889 102 HZ3 LYS 12 HZ3 LYS 12 13.248 -10.802 0.805 103 H ASN 13 H ASN 13 11.935 -4.885 3.329 104 HA ASN 13 HA ASN 13 9.280 -5.749 2.519 105 HB2 ASN 13 HB2 ASN 13 10.642 -7.792 2.914 106 HB3 ASN 13 HB3 ASN 13 10.983 -7.226 4.541 107 HD21 ASN 13 HD21 ASN 13 8.585 -8.565 2.435 108 HD22 ASN 13 HD22 ASN 13 7.446 -8.952 3.676 109 HA PRO 14 HA PRO 14 9.087 -2.653 5.841 110 HB2 PRO 14 HB2 PRO 14 6.699 -1.646 4.631 111 HB3 PRO 14 HB3 PRO 14 8.290 -0.887 4.669 112 HG2 PRO 14 HG2 PRO 14 7.033 -1.871 2.403 113 HG3 PRO 14 HG3 PRO 14 8.765 -1.558 2.539 114 HD2 PRO 14 HD2 PRO 14 7.268 -4.112 2.716 115 HD3 PRO 14 HD3 PRO 14 8.898 -3.788 2.075 116 H SER 15 H SER 15 7.547 -2.340 7.524 117 HA SER 15 HA SER 15 5.941 -4.549 8.194 118 HB2 SER 15 HB2 SER 15 5.748 -1.757 9.311 119 HB3 SER 15 HB3 SER 15 5.539 -3.298 10.153 120 HG SER 15 HG SER 15 7.663 -3.593 10.218 121 H GLU 16 H GLU 16 3.535 -4.415 8.469 122 HA GLU 16 HA GLU 16 2.167 -3.484 6.228 123 HB2 GLU 16 HB2 GLU 16 1.292 -5.226 7.761 124 HB3 GLU 16 HB3 GLU 16 1.044 -3.998 8.993 125 HG2 GLU 16 HG2 GLU 16 -0.543 -2.856 7.522 126 HG3 GLU 16 HG3 GLU 16 -0.320 -4.112 6.313 127 H GLY 17 H GLY 17 2.653 -2.003 9.387 128 HA2 GLY 17 HA2 GLY 17 1.036 0.256 9.088 129 HA3 GLY 17 HA3 GLY 17 2.465 0.161 10.107 130 H GLU 18 H GLU 18 4.300 -0.350 7.941 131 HA GLU 18 HA GLU 18 4.877 2.334 7.186 132 HB2 GLU 18 HB2 GLU 18 6.052 -0.293 6.296 133 HB3 GLU 18 HB3 GLU 18 6.684 1.278 5.819 134 HG2 GLU 18 HG2 GLU 18 6.459 0.274 8.633 135 HG3 GLU 18 HG3 GLU 18 7.931 0.269 7.664 136 H CYS 19 H CYS 19 3.937 -0.557 5.360 137 HA CYS 19 HA CYS 19 3.638 0.715 2.892 138 HB2 CYS 19 HB2 CYS 19 2.312 -1.739 4.017 139 HB3 CYS 19 HB3 CYS 19 2.107 -1.244 2.352 140 H LYS 20 H LYS 20 1.327 0.176 5.519 141 HA LYS 20 HA LYS 20 -0.957 1.071 4.178 142 HB2 LYS 20 HB2 LYS 20 -0.798 -0.272 6.295 143 HB3 LYS 20 HB3 LYS 20 -0.442 1.217 7.149 144 HG2 LYS 20 HG2 LYS 20 -2.639 2.101 6.550 145 HG3 LYS 20 HG3 LYS 20 -2.988 0.634 5.632 146 HD2 LYS 20 HD2 LYS 20 -2.545 0.842 8.624 147 HD3 LYS 20 HD3 LYS 20 -4.062 0.474 7.804 148 HE2 LYS 20 HE2 LYS 20 -2.998 -1.607 6.897 149 HE3 LYS 20 HE3 LYS 20 -1.564 -1.208 7.840 150 HZ1 LYS 20 HZ1 LYS 20 -2.844 -2.816 9.021 151 HZ2 LYS 20 HZ2 LYS 20 -4.239 -1.871 8.899 152 HZ3 LYS 20 HZ3 LYS 20 -2.981 -1.352 9.859 153 H LYS 21 H LYS 21 1.375 2.738 6.240 154 HA LYS 21 HA LYS 21 0.112 5.244 6.249 155 HB2 LYS 21 HB2 LYS 21 1.801 4.610 7.862 156 HB3 LYS 21 HB3 LYS 21 3.027 4.505 6.603 157 HG2 LYS 21 HG2 LYS 21 3.286 6.529 7.899 158 HG3 LYS 21 HG3 LYS 21 2.800 6.931 6.252 159 HD2 LYS 21 HD2 LYS 21 0.539 7.304 6.939 160 HD3 LYS 21 HD3 LYS 21 0.880 6.704 8.564 161 HE2 LYS 21 HE2 LYS 21 2.109 9.159 7.313 162 HE3 LYS 21 HE3 LYS 21 0.767 9.152 8.454 163 HZ1 LYS 21 HZ1 LYS 21 2.225 8.121 10.093 164 HZ2 LYS 21 HZ2 LYS 21 2.850 9.598 9.564 165 HZ3 LYS 21 HZ3 LYS 21 3.502 8.167 9.004 166 H ALA 22 H ALA 22 2.641 3.857 4.184 167 HA ALA 22 HA ALA 22 3.073 6.121 2.578 168 HB1 ALA 22 HB1 ALA 22 4.615 4.226 2.663 169 HB2 ALA 22 HB2 ALA 22 4.121 4.565 1.002 170 HB3 ALA 22 HB3 ALA 22 3.412 3.205 1.874 171 H CYS 23 H CYS 23 1.006 3.274 2.077 172 HA CYS 23 HA CYS 23 -0.159 4.018 -0.334 173 HB2 CYS 23 HB2 CYS 23 -1.316 2.404 1.942 174 HB3 CYS 23 HB3 CYS 23 -2.074 2.559 0.365 175 H ALA 24 H ALA 24 -1.110 4.806 2.972 176 HA ALA 24 HA ALA 24 -3.494 6.122 2.302 177 HB1 ALA 24 HB1 ALA 24 -3.319 7.114 4.520 178 HB2 ALA 24 HB2 ALA 24 -1.638 6.578 4.626 179 HB3 ALA 24 HB3 ALA 24 -2.943 5.391 4.540 180 H ASP 25 H ASP 25 -0.298 7.384 3.044 181 HA ASP 25 HA ASP 25 -0.832 10.098 2.742 182 HB2 ASP 25 HB2 ASP 25 1.117 9.181 3.903 183 HB3 ASP 25 HB3 ASP 25 1.775 8.634 2.368 184 H ALA 26 H ALA 26 0.340 7.784 0.355 185 HA ALA 26 HA ALA 26 0.583 9.863 -1.635 186 HB1 ALA 26 HB1 ALA 26 2.222 8.073 -1.508 187 HB2 ALA 26 HB2 ALA 26 1.414 8.115 -3.077 188 HB3 ALA 26 HB3 ALA 26 0.968 6.896 -1.885 189 H PHE 27 H PHE 27 -2.061 8.053 -0.542 190 HA PHE 27 HA PHE 27 -3.147 8.098 -3.257 191 HB2 PHE 27 HB2 PHE 27 -3.580 6.093 -1.094 192 HB3 PHE 27 HB3 PHE 27 -4.780 6.295 -2.369 193 HD1 PHE 27 HD1 PHE 27 -0.998 5.948 -2.098 194 HD2 PHE 27 HD2 PHE 27 -4.597 4.916 -4.137 195 HE1 PHE 27 HE1 PHE 27 0.239 4.605 -3.561 196 HE2 PHE 27 HE2 PHE 27 -3.283 3.500 -5.635 197 HZ PHE 27 HZ PHE 27 -0.854 3.345 -5.361 198 H ALA 28 H ALA 28 -4.223 8.131 0.110 199 HA ALA 28 HA ALA 28 -6.557 9.741 -0.647 200 HB1 ALA 28 HB1 ALA 28 -7.543 8.942 1.429 201 HB2 ALA 28 HB2 ALA 28 -6.048 8.092 1.825 202 HB3 ALA 28 HB3 ALA 28 -7.006 7.590 0.432 203 H ASN 29 H ASN 29 -3.735 10.524 -0.122 204 HA ASN 29 HA ASN 29 -2.615 12.341 0.641 205 HB2 ASN 29 HB2 ASN 29 -5.380 13.286 1.430 206 HB3 ASN 29 HB3 ASN 29 -3.937 14.275 1.583 207 HD21 ASN 29 HD21 ASN 29 -4.827 15.779 0.203 208 HD22 ASN 29 HD22 ASN 29 -4.930 15.550 -1.506 209 H GLY 30 H GLY 30 -3.299 10.022 2.441 210 HA2 GLY 30 HA2 GLY 30 -1.889 9.902 4.493 211 HA3 GLY 30 HA3 GLY 30 -2.643 11.421 4.961 212 H ASP 31 H ASP 31 -5.134 9.970 3.647 213 HA ASP 31 HA ASP 31 -6.069 9.083 6.204 214 HB2 ASP 31 HB2 ASP 31 -7.615 10.341 4.871 215 HB3 ASP 31 HB3 ASP 31 -7.470 9.190 3.542 216 H GLN 32 H GLN 32 -6.188 7.117 6.971 217 HA GLN 32 HA GLN 32 -5.354 4.899 5.269 218 HB2 GLN 32 HB2 GLN 32 -5.586 5.053 8.279 219 HB3 GLN 32 HB3 GLN 32 -4.975 3.677 7.376 220 HG2 GLN 32 HG2 GLN 32 -3.171 5.166 6.493 221 HG3 GLN 32 HG3 GLN 32 -3.744 6.410 7.595 222 HE21 GLN 32 HE21 GLN 32 -1.765 6.435 8.696 223 HE22 GLN 32 HE22 GLN 32 -1.306 5.165 9.770 224 H SER 33 H SER 33 -8.262 6.161 5.723 225 HA SER 33 HA SER 33 -9.587 3.676 6.432 226 HB2 SER 33 HB2 SER 33 -10.714 6.439 5.947 227 HB3 SER 33 HB3 SER 33 -11.624 5.044 6.542 228 HG SER 33 HG SER 33 -9.669 5.096 8.120 229 H LYS 34 H LYS 34 -9.012 5.823 3.756 230 HA LYS 34 HA LYS 34 -10.708 4.526 1.874 231 HB2 LYS 34 HB2 LYS 34 -9.781 6.808 1.591 232 HB3 LYS 34 HB3 LYS 34 -8.176 6.124 1.458 233 HG2 LYS 34 HG2 LYS 34 -9.040 6.768 -0.724 234 HG3 LYS 34 HG3 LYS 34 -8.810 5.024 -0.631 235 HD2 LYS 34 HD2 LYS 34 -11.158 4.671 -0.310 236 HD3 LYS 34 HD3 LYS 34 -11.456 6.402 -0.182 237 HE2 LYS 34 HE2 LYS 34 -10.408 4.979 -2.622 238 HE3 LYS 34 HE3 LYS 34 -12.080 5.477 -2.373 239 HZ1 LYS 34 HZ1 LYS 34 -9.735 7.309 -2.533 240 HZ2 LYS 34 HZ2 LYS 34 -11.314 7.788 -2.274 241 HZ3 LYS 34 HZ3 LYS 34 -10.886 7.070 -3.730 242 H ILE 35 H ILE 35 -7.633 3.859 3.188 243 HA ILE 35 HA ILE 35 -7.026 1.779 1.228 244 HB ILE 35 HB ILE 35 -5.381 2.843 3.554 245 HG12 ILE 35 HG12 ILE 35 -5.589 4.505 1.774 246 HG13 ILE 35 HG13 ILE 35 -3.947 3.879 1.834 247 HG21 ILE 35 HG21 ILE 35 -4.581 0.887 1.399 248 HG22 ILE 35 HG22 ILE 35 -4.825 0.518 3.104 249 HG23 ILE 35 HG23 ILE 35 -3.500 1.577 2.612 250 HD11 ILE 35 HD11 ILE 35 -6.077 3.112 -0.160 251 HD12 ILE 35 HD12 ILE 35 -4.449 2.441 -0.097 252 HD13 ILE 35 HD13 ILE 35 -4.682 4.152 -0.459 253 H ALA 36 H ALA 36 -7.612 -0.215 1.661 254 HA ALA 36 HA ALA 36 -8.926 -0.915 4.127 255 HB1 ALA 36 HB1 ALA 36 -9.280 -3.071 3.055 256 HB2 ALA 36 HB2 ALA 36 -8.182 -2.615 1.755 257 HB3 ALA 36 HB3 ALA 36 -9.705 -1.757 1.962 258 H LYS 37 H LYS 37 -6.095 -2.003 2.380 259 HA LYS 37 HA LYS 37 -4.840 -3.000 4.796 260 HB2 LYS 37 HB2 LYS 37 -6.424 -4.704 3.553 261 HB3 LYS 37 HB3 LYS 37 -5.158 -4.720 2.347 262 HG2 LYS 37 HG2 LYS 37 -4.923 -6.624 3.781 263 HG3 LYS 37 HG3 LYS 37 -3.585 -5.516 4.101 264 HD2 LYS 37 HD2 LYS 37 -4.450 -4.854 6.144 265 HD3 LYS 37 HD3 LYS 37 -6.091 -5.348 5.727 266 HE2 LYS 37 HE2 LYS 37 -5.103 -6.833 7.396 267 HE3 LYS 37 HE3 LYS 37 -5.434 -7.685 5.894 268 HZ1 LYS 37 HZ1 LYS 37 -2.772 -6.677 6.755 269 HZ2 LYS 37 HZ2 LYS 37 -3.076 -7.606 5.350 270 HZ3 LYS 37 HZ3 LYS 37 -3.322 -8.253 6.877 271 H ALA 38 H ALA 38 -2.529 -3.431 4.177 272 HA ALA 38 HA ALA 38 -1.671 -2.767 1.542 273 HB1 ALA 38 HB1 ALA 38 -1.878 -0.526 2.521 274 HB2 ALA 38 HB2 ALA 38 -0.184 -0.955 2.268 275 HB3 ALA 38 HB3 ALA 38 -0.884 -1.037 3.887 276 H GLU 39 H GLU 39 -0.158 -4.162 1.193 277 HA GLU 39 HA GLU 39 1.498 -5.075 3.444 278 HB2 GLU 39 HB2 GLU 39 -0.157 -6.878 1.688 279 HB3 GLU 39 HB3 GLU 39 1.211 -7.461 2.621 280 HG2 GLU 39 HG2 GLU 39 0.131 -6.769 4.680 281 HG3 GLU 39 HG3 GLU 39 -1.220 -6.109 3.765 282 H ASN 40 H ASN 40 3.256 -6.607 2.625 283 HA ASN 40 HA ASN 40 4.699 -5.196 0.643 284 HB2 ASN 40 HB2 ASN 40 5.854 -6.387 2.455 285 HB3 ASN 40 HB3 ASN 40 5.249 -7.923 1.844 286 HD21 ASN 40 HD21 ASN 40 7.445 -5.309 1.281 287 HD22 ASN 40 HD22 ASN 40 8.426 -6.101 0.106 288 H PHE 41 H PHE 41 4.578 -5.341 -1.440 289 HA PHE 41 HA PHE 41 2.940 -7.430 -2.643 290 HB2 PHE 41 HB2 PHE 41 2.523 -5.078 -3.293 291 HB3 PHE 41 HB3 PHE 41 4.179 -4.950 -3.843 292 HD1 PHE 41 HD1 PHE 41 4.775 -5.515 -6.021 293 HD2 PHE 41 HD2 PHE 41 0.986 -6.754 -4.514 294 HE1 PHE 41 HE1 PHE 41 4.134 -6.252 -8.252 295 HE2 PHE 41 HE2 PHE 41 0.337 -7.496 -6.753 296 HZ PHE 41 HZ PHE 41 1.904 -7.251 -8.637 297 H LYS 42 H LYS 42 6.195 -6.159 -2.659 298 HA LYS 42 HA LYS 42 7.358 -8.535 -3.657 299 HB2 LYS 42 HB2 LYS 42 6.447 -7.382 -5.754 300 HB3 LYS 42 HB3 LYS 42 7.467 -6.015 -5.370 301 HG2 LYS 42 HG2 LYS 42 9.442 -7.496 -5.586 302 HG3 LYS 42 HG3 LYS 42 8.353 -8.788 -6.097 303 HD2 LYS 42 HD2 LYS 42 7.574 -7.286 -7.949 304 HD3 LYS 42 HD3 LYS 42 8.815 -6.147 -7.458 305 HE2 LYS 42 HE2 LYS 42 9.569 -7.507 -9.337 306 HE3 LYS 42 HE3 LYS 42 10.559 -7.785 -7.907 307 HZ1 LYS 42 HZ1 LYS 42 8.347 -9.581 -8.801 308 HZ2 LYS 42 HZ2 LYS 42 9.401 -9.864 -7.525 309 HZ3 LYS 42 HZ3 LYS 42 9.979 -9.833 -9.094 310 H ASP 43 H ASP 43 9.807 -7.947 -3.786 311 HA ASP 43 HA ASP 43 10.613 -6.576 -1.485 312 HB2 ASP 43 HB2 ASP 43 12.227 -7.114 -4.001 313 HB3 ASP 43 HB3 ASP 43 12.893 -6.672 -2.436 314 H TYR 44 H TYR 44 10.528 -4.493 -1.093 315 HA TYR 44 HA TYR 44 10.693 -2.267 -1.255 316 HB2 TYR 44 HB2 TYR 44 11.879 -2.804 -3.991 317 HB3 TYR 44 HB3 TYR 44 11.677 -1.184 -3.342 318 HD1 TYR 44 HD1 TYR 44 13.153 -0.326 -1.704 319 HD2 TYR 44 HD2 TYR 44 13.472 -4.381 -2.907 320 HE1 TYR 44 HE1 TYR 44 15.303 -0.486 -0.539 321 HE2 TYR 44 HE2 TYR 44 15.629 -4.566 -1.751 322 HH TYR 44 HH TYR 44 17.391 -3.190 -0.935 323 H TYR 45 H TYR 45 8.374 -3.914 -2.287 324 HA TYR 45 HA TYR 45 6.867 -1.628 -3.368 325 HB2 TYR 45 HB2 TYR 45 6.782 -4.471 -4.389 326 HB3 TYR 45 HB3 TYR 45 5.549 -3.283 -4.742 327 HD1 TYR 45 HD1 TYR 45 8.928 -4.424 -5.542 328 HD2 TYR 45 HD2 TYR 45 6.043 -1.377 -6.142 329 HE1 TYR 45 HE1 TYR 45 10.179 -3.646 -7.499 330 HE2 TYR 45 HE2 TYR 45 7.287 -0.587 -8.117 331 HH TYR 45 HH TYR 45 9.614 -2.326 -9.652 332 H CYS 46 H CYS 46 4.851 -1.441 -2.710 333 HA CYS 46 HA CYS 46 3.859 -3.416 -0.775 334 HB2 CYS 46 HB2 CYS 46 3.566 -0.401 -0.607 335 HB3 CYS 46 HB3 CYS 46 2.712 -1.540 0.425 336 H ASN 47 H ASN 47 1.752 -3.942 -0.936 337 HA ASN 47 HA ASN 47 0.380 -3.145 -3.390 338 HB2 ASN 47 HB2 ASN 47 0.691 -5.595 -2.784 339 HB3 ASN 47 HB3 ASN 47 -0.309 -5.295 -1.376 340 HD21 ASN 47 HD21 ASN 47 -1.856 -6.712 -2.007 341 HD22 ASN 47 HD22 ASN 47 -2.957 -6.431 -3.291 342 H CYS 48 H CYS 48 -0.965 -1.493 -3.126 343 HA CYS 48 HA CYS 48 -2.122 -0.966 -0.512 344 HB2 CYS 48 HB2 CYS 48 -2.308 0.733 -3.039 345 HB3 CYS 48 HB3 CYS 48 -2.745 1.141 -1.384 346 H HIS 49 H HIS 49 -4.154 -1.495 -0.076 347 HA HIS 49 HA HIS 49 -5.813 -2.475 -2.273 348 HB2 HIS 49 HB2 HIS 49 -6.087 -2.903 0.720 349 HB3 HIS 49 HB3 HIS 49 -7.104 -3.622 -0.518 350 HD1 HIS 49 HD3 HIS 49 -6.475 -5.979 -1.053 351 HD2 HIS 49 HD2 HIS 49 -3.247 -3.764 0.328 352 HE1 HIS 49 HE1 HIS 49 -4.575 -7.631 -0.701 353 H ILE 50 H ILE 50 -6.872 -0.808 -2.960 354 HA ILE 50 HA ILE 50 -7.668 1.325 -1.127 355 HB ILE 50 HB ILE 50 -8.133 1.360 -4.096 356 HG12 ILE 50 HG12 ILE 50 -5.510 2.161 -2.819 357 HG13 ILE 50 HG13 ILE 50 -5.744 0.597 -3.592 358 HG21 ILE 50 HG21 ILE 50 -7.730 3.761 -3.728 359 HG22 ILE 50 HG22 ILE 50 -7.332 3.396 -2.044 360 HG23 ILE 50 HG23 ILE 50 -8.981 3.149 -2.625 361 HD11 ILE 50 HD11 ILE 50 -6.265 1.732 -5.692 362 HD12 ILE 50 HD12 ILE 50 -4.664 2.125 -5.080 363 HD13 ILE 50 HD13 ILE 50 -5.982 3.287 -4.904 364 H ILE 51 H ILE 51 -9.769 1.465 -0.512 365 HA ILE 51 HA ILE 51 -11.587 -0.489 -1.610 366 HB ILE 51 HB ILE 51 -12.114 1.602 0.522 367 HG12 ILE 51 HG12 ILE 51 -11.457 -1.325 0.850 368 HG13 ILE 51 HG13 ILE 51 -10.357 0.015 1.180 369 HG21 ILE 51 HG21 ILE 51 -13.675 -0.874 -0.230 370 HG22 ILE 51 HG22 ILE 51 -14.138 0.789 -0.574 371 HG23 ILE 51 HG23 ILE 51 -14.058 0.227 1.097 372 HD11 ILE 51 HD11 ILE 51 -11.335 -0.861 3.236 373 HD12 ILE 51 HD12 ILE 51 -12.951 -0.531 2.613 374 HD13 ILE 51 HD13 ILE 51 -11.848 0.804 2.947 375 H ILE 52 H ILE 52 -12.681 0.129 -3.428 376 HA ILE 52 HA ILE 52 -13.294 2.928 -3.908 377 HB ILE 52 HB ILE 52 -14.383 0.474 -5.359 378 HG12 ILE 52 HG12 ILE 52 -12.064 2.257 -6.139 379 HG13 ILE 52 HG13 ILE 52 -11.922 0.606 -5.546 380 HG21 ILE 52 HG21 ILE 52 -15.745 2.482 -5.651 381 HG22 ILE 52 HG22 ILE 52 -14.929 2.062 -7.159 382 HG23 ILE 52 HG23 ILE 52 -14.323 3.388 -6.168 383 HD11 ILE 52 HD11 ILE 52 -11.677 0.705 -7.961 384 HD12 ILE 52 HD12 ILE 52 -13.266 1.458 -8.104 385 HD13 ILE 52 HD13 ILE 52 -13.126 -0.197 -7.516 386 H HIS 53 H HIS 53 -15.082 -0.061 -3.585 387 HA HIS 53 HA HIS 53 -16.527 0.290 -1.370 388 HB2 HIS 53 HB2 HIS 53 -17.594 2.287 -2.641 389 HB3 HIS 53 HB3 HIS 53 -18.294 1.091 -3.722 390 HD1 HIS 53 HD3 HIS 53 -20.664 0.692 -3.105 391 HD2 HIS 53 HD2 HIS 53 -18.287 1.428 0.209 392 HE1 HIS 53 HE1 HIS 53 -22.196 0.582 -1.092 Start of MODEL 20 1 H1 GLU 1 1HT GLU 1 -14.503 -7.618 -2.649 2 H2 GLU 1 2HT GLU 1 -14.641 -6.048 -3.272 3 H3 GLU 1 3HT GLU 1 -14.077 -6.273 -1.717 4 HA GLU 1 HA GLU 1 -12.111 -7.310 -2.487 5 HB2 GLU 1 HB2 GLU 1 -11.656 -7.346 -4.935 6 HB3 GLU 1 HB3 GLU 1 -12.990 -8.392 -4.479 7 HG2 GLU 1 HG2 GLU 1 -14.545 -6.563 -5.167 8 HG3 GLU 1 HG3 GLU 1 -13.145 -5.700 -5.794 9 H GLU 2 H GLU 2 -10.295 -5.967 -3.607 10 HA GLU 2 HA GLU 2 -11.012 -3.125 -3.406 11 HB2 GLU 2 HB2 GLU 2 -8.427 -4.269 -2.343 12 HB3 GLU 2 HB3 GLU 2 -9.010 -2.627 -2.184 13 HG2 GLU 2 HG2 GLU 2 -9.285 -3.558 -0.058 14 HG3 GLU 2 HG3 GLU 2 -10.891 -3.640 -0.774 15 H THR 3 H THR 3 -9.356 -1.747 -4.431 16 HA THR 3 HA THR 3 -8.398 -2.935 -6.875 17 HB THR 3 HB THR 3 -8.119 -0.122 -5.795 18 HG1 THR 3 HG1 THR 3 -10.008 0.329 -6.893 19 HG21 THR 3 HG21 THR 3 -6.540 -0.652 -7.605 20 HG22 THR 3 HG22 THR 3 -7.754 0.499 -8.158 21 HG23 THR 3 HG23 THR 3 -7.875 -1.199 -8.617 22 H GLU 4 H GLU 4 -6.447 -3.829 -6.913 23 HA GLU 4 HA GLU 4 -4.611 -3.387 -4.722 24 HB2 GLU 4 HB2 GLU 4 -4.391 -5.213 -7.099 25 HB3 GLU 4 HB3 GLU 4 -3.276 -5.145 -5.744 26 HG2 GLU 4 HG2 GLU 4 -5.097 -5.837 -4.251 27 HG3 GLU 4 HG3 GLU 4 -6.152 -5.995 -5.660 28 H GLU 5 H GLU 5 -3.323 -1.799 -4.814 29 HA GLU 5 HA GLU 5 -2.223 -0.889 -7.380 30 HB2 GLU 5 HB2 GLU 5 -2.947 0.521 -4.856 31 HB3 GLU 5 HB3 GLU 5 -1.835 1.246 -5.998 32 HG2 GLU 5 HG2 GLU 5 -4.635 0.344 -6.655 33 HG3 GLU 5 HG3 GLU 5 -4.201 1.995 -6.210 34 HA PRO 6 HA PRO 6 1.574 -2.186 -5.251 35 HB2 PRO 6 HB2 PRO 6 2.833 -2.165 -7.836 36 HB3 PRO 6 HB3 PRO 6 2.494 -3.551 -6.799 37 HG2 PRO 6 HG2 PRO 6 1.240 -3.105 -9.203 38 HG3 PRO 6 HG3 PRO 6 0.532 -4.041 -7.877 39 HD2 PRO 6 HD2 PRO 6 0.014 -1.211 -8.694 40 HD3 PRO 6 HD3 PRO 6 -1.118 -2.448 -8.099 41 H ILE 7 H ILE 7 2.337 -0.445 -4.326 42 HA ILE 7 HA ILE 7 3.171 1.864 -5.962 43 HB ILE 7 HB ILE 7 3.037 3.260 -3.963 44 HG12 ILE 7 HG12 ILE 7 2.246 0.833 -2.372 45 HG13 ILE 7 HG13 ILE 7 3.935 1.320 -2.486 46 HG21 ILE 7 HG21 ILE 7 0.683 1.489 -4.194 47 HG22 ILE 7 HG22 ILE 7 1.016 2.994 -5.075 48 HG23 ILE 7 HG23 ILE 7 0.809 3.005 -3.310 49 HD11 ILE 7 HD11 ILE 7 1.674 2.977 -1.438 50 HD12 ILE 7 HD12 ILE 7 3.365 3.477 -1.594 51 HD13 ILE 7 HD13 ILE 7 2.932 2.166 -0.482 52 H ARG 8 H ARG 8 5.093 2.962 -5.259 53 HA ARG 8 HA ARG 8 7.282 1.128 -4.734 54 HB2 ARG 8 HB2 ARG 8 7.222 4.112 -5.180 55 HB3 ARG 8 HB3 ARG 8 8.659 3.105 -5.139 56 HG2 ARG 8 HG2 ARG 8 8.058 2.036 -7.172 57 HG3 ARG 8 HG3 ARG 8 6.461 2.783 -7.166 58 HD2 ARG 8 HD2 ARG 8 9.085 4.252 -7.350 59 HD3 ARG 8 HD3 ARG 8 7.987 3.940 -8.695 60 HE ARG 8 HE ARG 8 6.315 5.192 -7.280 61 HH11 ARG 8 HH11 ARG 8 9.789 5.972 -7.285 62 HH12 ARG 8 HH12 ARG 8 9.558 7.612 -6.911 63 HH21 ARG 8 HH21 ARG 8 6.040 7.461 -6.716 64 HH22 ARG 8 HH22 ARG 8 7.412 8.464 -6.566 65 H HIS 9 H HIS 9 8.401 1.102 -2.780 66 HA HIS 9 HA HIS 9 7.916 3.229 -0.871 67 HB2 HIS 9 HB2 HIS 9 6.279 1.381 -0.383 68 HB3 HIS 9 HB3 HIS 9 7.645 0.292 -0.170 69 HD1 HIS 9 HD3 HIS 9 8.903 0.443 2.060 70 HD2 HIS 9 HD2 HIS 9 5.922 3.258 1.631 71 HE1 HIS 9 HE1 HIS 9 8.578 1.468 4.350 72 H ALA 10 H ALA 10 9.777 3.693 0.233 73 HA ALA 10 HA ALA 10 12.092 2.224 -0.642 74 HB1 ALA 10 HB1 ALA 10 12.149 4.668 -0.717 75 HB2 ALA 10 HB2 ALA 10 13.415 4.010 0.320 76 HB3 ALA 10 HB3 ALA 10 11.970 4.724 1.037 77 H LYS 11 H LYS 11 11.495 0.345 0.443 78 HA LYS 11 HA LYS 11 13.074 -0.241 2.671 79 HB2 LYS 11 HB2 LYS 11 11.073 0.827 3.858 80 HB3 LYS 11 HB3 LYS 11 10.064 -0.380 3.098 81 HG2 LYS 11 HG2 LYS 11 10.443 -1.073 5.334 82 HG3 LYS 11 HG3 LYS 11 11.371 -2.138 4.284 83 HD2 LYS 11 HD2 LYS 11 12.687 -1.517 6.235 84 HD3 LYS 11 HD3 LYS 11 13.406 -0.818 4.785 85 HE2 LYS 11 HE2 LYS 11 12.437 1.344 5.307 86 HE3 LYS 11 HE3 LYS 11 11.554 0.637 6.662 87 HZ1 LYS 11 HZ1 LYS 11 14.506 0.818 6.462 88 HZ2 LYS 11 HZ2 LYS 11 13.601 0.237 7.781 89 HZ3 LYS 11 HZ3 LYS 11 13.503 1.842 7.344 90 H LYS 12 H LYS 12 13.365 -2.512 2.502 91 HA LYS 12 HA LYS 12 12.466 -3.551 0.027 92 HB2 LYS 12 HB2 LYS 12 14.660 -4.122 1.039 93 HB3 LYS 12 HB3 LYS 12 13.821 -5.042 2.281 94 HG2 LYS 12 HG2 LYS 12 12.891 -6.511 0.565 95 HG3 LYS 12 HG3 LYS 12 13.751 -5.595 -0.668 96 HD2 LYS 12 HD2 LYS 12 14.997 -7.189 1.574 97 HD3 LYS 12 HD3 LYS 12 14.937 -7.638 -0.125 98 HE2 LYS 12 HE2 LYS 12 16.228 -5.564 -0.642 99 HE3 LYS 12 HE3 LYS 12 16.417 -5.323 1.092 100 HZ1 LYS 12 HZ1 LYS 12 17.349 -7.656 -0.452 101 HZ2 LYS 12 HZ2 LYS 12 17.501 -7.483 1.217 102 HZ3 LYS 12 HZ3 LYS 12 18.327 -6.433 0.178 103 H ASN 13 H ASN 13 11.732 -4.345 3.369 104 HA ASN 13 HA ASN 13 9.194 -5.460 2.443 105 HB2 ASN 13 HB2 ASN 13 10.944 -6.775 4.549 106 HB3 ASN 13 HB3 ASN 13 9.307 -7.260 4.146 107 HD21 ASN 13 HD21 ASN 13 8.929 -8.362 2.209 108 HD22 ASN 13 HD22 ASN 13 10.204 -9.060 1.299 109 HA PRO 14 HA PRO 14 8.299 -2.593 5.823 110 HB2 PRO 14 HB2 PRO 14 6.078 -1.593 4.293 111 HB3 PRO 14 HB3 PRO 14 7.618 -0.799 4.592 112 HG2 PRO 14 HG2 PRO 14 6.739 -1.722 2.127 113 HG3 PRO 14 HG3 PRO 14 8.410 -1.325 2.532 114 HD2 PRO 14 HD2 PRO 14 7.042 -3.955 2.433 115 HD3 PRO 14 HD3 PRO 14 8.711 -3.525 1.966 116 H SER 15 H SER 15 6.449 -2.673 7.270 117 HA SER 15 HA SER 15 5.117 -5.183 7.195 118 HB2 SER 15 HB2 SER 15 4.126 -4.377 9.307 119 HB3 SER 15 HB3 SER 15 5.882 -4.195 9.291 120 HG SER 15 HG SER 15 4.357 -2.355 9.949 121 H GLU 16 H GLU 16 2.675 -5.133 7.687 122 HA GLU 16 HA GLU 16 1.277 -4.042 5.534 123 HB2 GLU 16 HB2 GLU 16 0.303 -5.077 8.201 124 HB3 GLU 16 HB3 GLU 16 -0.747 -4.733 6.829 125 HG2 GLU 16 HG2 GLU 16 0.234 -6.441 5.523 126 HG3 GLU 16 HG3 GLU 16 1.557 -6.650 6.661 127 H GLY 17 H GLY 17 1.865 -2.873 8.781 128 HA2 GLY 17 HA2 GLY 17 0.132 -0.634 8.692 129 HA3 GLY 17 HA3 GLY 17 1.493 -0.851 9.786 130 H GLU 18 H GLU 18 3.645 -0.985 8.104 131 HA GLU 18 HA GLU 18 4.194 1.677 7.440 132 HB2 GLU 18 HB2 GLU 18 5.494 -0.902 6.603 133 HB3 GLU 18 HB3 GLU 18 6.081 0.645 6.016 134 HG2 GLU 18 HG2 GLU 18 5.831 -0.049 8.924 135 HG3 GLU 18 HG3 GLU 18 7.294 -0.291 7.971 136 H CYS 19 H CYS 19 3.350 -1.036 5.329 137 HA CYS 19 HA CYS 19 3.317 0.457 2.988 138 HB2 CYS 19 HB2 CYS 19 1.925 -2.101 3.733 139 HB3 CYS 19 HB3 CYS 19 1.818 -1.404 2.125 140 H LYS 20 H LYS 20 0.637 -0.294 5.246 141 HA LYS 20 HA LYS 20 -1.371 0.889 3.697 142 HB2 LYS 20 HB2 LYS 20 -1.758 -0.639 5.606 143 HB3 LYS 20 HB3 LYS 20 -1.250 0.627 6.704 144 HG2 LYS 20 HG2 LYS 20 -3.184 1.948 6.167 145 HG3 LYS 20 HG3 LYS 20 -3.644 0.825 4.880 146 HD2 LYS 20 HD2 LYS 20 -3.845 -0.972 6.583 147 HD3 LYS 20 HD3 LYS 20 -3.486 0.211 7.824 148 HE2 LYS 20 HE2 LYS 20 -5.822 0.458 5.940 149 HE3 LYS 20 HE3 LYS 20 -5.910 -0.348 7.503 150 HZ1 LYS 20 HZ1 LYS 20 -5.190 1.781 8.512 151 HZ2 LYS 20 HZ2 LYS 20 -6.675 1.864 7.747 152 HZ3 LYS 20 HZ3 LYS 20 -5.348 2.540 7.001 153 H LYS 21 H LYS 21 0.760 2.247 6.128 154 HA LYS 21 HA LYS 21 -0.392 4.830 6.160 155 HB2 LYS 21 HB2 LYS 21 0.989 4.089 8.004 156 HB3 LYS 21 HB3 LYS 21 2.350 3.836 6.928 157 HG2 LYS 21 HG2 LYS 21 2.632 6.191 6.630 158 HG3 LYS 21 HG3 LYS 21 1.134 6.531 7.489 159 HD2 LYS 21 HD2 LYS 21 3.181 6.915 8.867 160 HD3 LYS 21 HD3 LYS 21 2.063 5.749 9.566 161 HE2 LYS 21 HE2 LYS 21 4.348 4.974 9.809 162 HE3 LYS 21 HE3 LYS 21 3.473 3.914 8.718 163 HZ1 LYS 21 HZ1 LYS 21 5.606 4.301 7.854 164 HZ2 LYS 21 HZ2 LYS 21 5.502 5.962 8.011 165 HZ3 LYS 21 HZ3 LYS 21 4.597 5.182 6.838 166 H ALA 22 H ALA 22 2.175 3.367 4.235 167 HA ALA 22 HA ALA 22 2.944 5.759 2.912 168 HB1 ALA 22 HB1 ALA 22 3.221 2.901 2.008 169 HB2 ALA 22 HB2 ALA 22 4.381 3.792 2.996 170 HB3 ALA 22 HB3 ALA 22 4.065 4.292 1.330 171 H CYS 23 H CYS 23 0.790 3.091 2.057 172 HA CYS 23 HA CYS 23 -0.075 4.041 -0.425 173 HB2 CYS 23 HB2 CYS 23 -1.632 2.440 1.605 174 HB3 CYS 23 HB3 CYS 23 -2.030 2.601 -0.102 175 H ALA 24 H ALA 24 -1.107 4.771 2.834 176 HA ALA 24 HA ALA 24 -3.371 6.292 2.249 177 HB1 ALA 24 HB1 ALA 24 -2.728 5.509 4.486 178 HB2 ALA 24 HB2 ALA 24 -3.044 7.249 4.445 179 HB3 ALA 24 HB3 ALA 24 -1.384 6.648 4.481 180 H ASP 25 H ASP 25 -0.059 7.279 2.930 181 HA ASP 25 HA ASP 25 -0.385 10.009 2.446 182 HB2 ASP 25 HB2 ASP 25 1.480 9.043 3.720 183 HB3 ASP 25 HB3 ASP 25 2.116 8.332 2.247 184 H ALA 26 H ALA 26 0.425 7.397 0.248 185 HA ALA 26 HA ALA 26 0.985 9.224 -1.921 186 HB1 ALA 26 HB1 ALA 26 2.307 7.176 -1.650 187 HB2 ALA 26 HB2 ALA 26 1.510 7.252 -3.221 188 HB3 ALA 26 HB3 ALA 26 0.859 6.215 -1.951 189 H PHE 27 H PHE 27 -1.874 7.998 -0.651 190 HA PHE 27 HA PHE 27 -3.112 8.309 -3.294 191 HB2 PHE 27 HB2 PHE 27 -3.687 6.207 -1.266 192 HB3 PHE 27 HB3 PHE 27 -4.971 6.739 -2.353 193 HD1 PHE 27 HD1 PHE 27 -4.851 6.353 -4.699 194 HD2 PHE 27 HD2 PHE 27 -1.730 4.995 -2.136 195 HE1 PHE 27 HE1 PHE 27 -3.998 4.962 -6.484 196 HE2 PHE 27 HE2 PHE 27 -0.877 3.584 -3.939 197 HZ PHE 27 HZ PHE 27 -2.008 3.554 -6.121 198 H ALA 28 H ALA 28 -3.832 8.500 0.162 199 HA ALA 28 HA ALA 28 -5.909 10.454 -0.498 200 HB1 ALA 28 HB1 ALA 28 -6.609 8.554 0.898 201 HB2 ALA 28 HB2 ALA 28 -6.752 10.090 1.743 202 HB3 ALA 28 HB3 ALA 28 -5.404 9.011 2.103 203 H ASN 29 H ASN 29 -2.767 10.317 0.204 204 HA ASN 29 HA ASN 29 -1.177 11.810 0.740 205 HB2 ASN 29 HB2 ASN 29 -3.458 13.796 0.622 206 HB3 ASN 29 HB3 ASN 29 -1.762 14.248 0.767 207 HD21 ASN 29 HD21 ASN 29 -0.437 14.067 -1.035 208 HD22 ASN 29 HD22 ASN 29 -1.060 13.760 -2.614 209 H GLY 30 H GLY 30 -2.980 10.534 2.836 210 HA2 GLY 30 HA2 GLY 30 -1.596 11.133 5.085 211 HA3 GLY 30 HA3 GLY 30 -2.852 12.363 5.043 212 H ASP 31 H ASP 31 -4.991 11.022 4.109 213 HA ASP 31 HA ASP 31 -5.873 9.700 6.458 214 HB2 ASP 31 HB2 ASP 31 -7.473 10.916 5.053 215 HB3 ASP 31 HB3 ASP 31 -7.214 9.768 3.745 216 H GLN 32 H GLN 32 -5.801 7.687 7.055 217 HA GLN 32 HA GLN 32 -4.543 5.764 5.262 218 HB2 GLN 32 HB2 GLN 32 -5.039 5.594 8.230 219 HB3 GLN 32 HB3 GLN 32 -4.033 4.518 7.273 220 HG2 GLN 32 HG2 GLN 32 -2.503 6.362 6.804 221 HG3 GLN 32 HG3 GLN 32 -3.523 7.451 7.738 222 HE21 GLN 32 HE21 GLN 32 -0.775 6.778 8.124 223 HE22 GLN 32 HE22 GLN 32 -0.628 6.112 9.713 224 H SER 33 H SER 33 -7.647 6.566 5.919 225 HA SER 33 HA SER 33 -8.583 3.884 6.501 226 HB2 SER 33 HB2 SER 33 -10.053 6.513 6.381 227 HB3 SER 33 HB3 SER 33 -10.712 4.979 6.968 228 HG SER 33 HG SER 33 -8.413 5.388 8.162 229 H LYS 34 H LYS 34 -8.375 6.147 3.904 230 HA LYS 34 HA LYS 34 -10.274 5.093 2.097 231 HB2 LYS 34 HB2 LYS 34 -9.016 7.221 1.766 232 HB3 LYS 34 HB3 LYS 34 -7.549 6.297 1.508 233 HG2 LYS 34 HG2 LYS 34 -8.598 5.287 -0.512 234 HG3 LYS 34 HG3 LYS 34 -9.988 6.348 -0.267 235 HD2 LYS 34 HD2 LYS 34 -8.525 8.311 -0.473 236 HD3 LYS 34 HD3 LYS 34 -7.138 7.249 -0.705 237 HE2 LYS 34 HE2 LYS 34 -7.871 8.086 -2.845 238 HE3 LYS 34 HE3 LYS 34 -8.198 6.360 -2.750 239 HZ1 LYS 34 HZ1 LYS 34 -10.037 7.565 -3.713 240 HZ2 LYS 34 HZ2 LYS 34 -10.192 8.534 -2.372 241 HZ3 LYS 34 HZ3 LYS 34 -10.527 6.878 -2.265 242 H ILE 35 H ILE 35 -7.401 3.851 3.322 243 HA ILE 35 HA ILE 35 -7.035 1.853 1.216 244 HB ILE 35 HB ILE 35 -5.286 2.407 3.632 245 HG12 ILE 35 HG12 ILE 35 -5.347 4.447 2.295 246 HG13 ILE 35 HG13 ILE 35 -3.779 3.670 2.132 247 HG21 ILE 35 HG21 ILE 35 -4.959 0.213 2.644 248 HG22 ILE 35 HG22 ILE 35 -3.551 1.235 2.356 249 HG23 ILE 35 HG23 ILE 35 -4.710 0.946 1.058 250 HD11 ILE 35 HD11 ILE 35 -6.022 3.588 0.125 251 HD12 ILE 35 HD12 ILE 35 -4.459 2.790 -0.049 252 HD13 ILE 35 HD13 ILE 35 -4.549 4.551 0.009 253 H ALA 36 H ALA 36 -7.766 -0.177 1.633 254 HA ALA 36 HA ALA 36 -9.157 -0.803 4.034 255 HB1 ALA 36 HB1 ALA 36 -9.320 -3.075 3.082 256 HB2 ALA 36 HB2 ALA 36 -8.159 -2.628 1.834 257 HB3 ALA 36 HB3 ALA 36 -9.740 -1.851 1.884 258 H LYS 37 H LYS 37 -6.130 -1.888 2.600 259 HA LYS 37 HA LYS 37 -4.634 -1.767 4.937 260 HB2 LYS 37 HB2 LYS 37 -6.020 -3.946 5.309 261 HB3 LYS 37 HB3 LYS 37 -5.134 -4.590 3.933 262 HG2 LYS 37 HG2 LYS 37 -3.016 -4.235 5.159 263 HG3 LYS 37 HG3 LYS 37 -3.938 -3.659 6.547 264 HD2 LYS 37 HD2 LYS 37 -3.280 -5.951 6.875 265 HD3 LYS 37 HD3 LYS 37 -5.030 -5.880 6.657 266 HE2 LYS 37 HE2 LYS 37 -4.855 -6.674 4.413 267 HE3 LYS 37 HE3 LYS 37 -3.100 -6.491 4.423 268 HZ1 LYS 37 HZ1 LYS 37 -2.999 -8.205 6.124 269 HZ2 LYS 37 HZ2 LYS 37 -3.694 -8.769 4.682 270 HZ3 LYS 37 HZ3 LYS 37 -4.685 -8.438 6.008 271 H ALA 38 H ALA 38 -2.395 -2.810 4.276 272 HA ALA 38 HA ALA 38 -2.157 -3.171 1.430 273 HB1 ALA 38 HB1 ALA 38 -0.533 -1.175 2.993 274 HB2 ALA 38 HB2 ALA 38 -1.760 -0.787 1.789 275 HB3 ALA 38 HB3 ALA 38 -0.283 -1.621 1.305 276 H GLU 39 H GLU 39 -0.549 -4.566 0.966 277 HA GLU 39 HA GLU 39 0.938 -5.660 3.275 278 HB2 GLU 39 HB2 GLU 39 -0.057 -7.236 0.887 279 HB3 GLU 39 HB3 GLU 39 0.697 -7.878 2.339 280 HG2 GLU 39 HG2 GLU 39 -1.243 -7.106 3.643 281 HG3 GLU 39 HG3 GLU 39 -2.010 -6.573 2.149 282 H ASN 40 H ASN 40 2.949 -6.897 2.435 283 HA ASN 40 HA ASN 40 4.349 -5.203 0.643 284 HB2 ASN 40 HB2 ASN 40 5.628 -6.366 2.357 285 HB3 ASN 40 HB3 ASN 40 5.089 -7.927 1.744 286 HD21 ASN 40 HD21 ASN 40 7.096 -5.156 1.067 287 HD22 ASN 40 HD22 ASN 40 8.089 -5.930 -0.111 288 H PHE 41 H PHE 41 4.484 -5.261 -1.446 289 HA PHE 41 HA PHE 41 2.995 -7.313 -2.878 290 HB2 PHE 41 HB2 PHE 41 2.604 -4.939 -3.451 291 HB3 PHE 41 HB3 PHE 41 4.305 -4.756 -3.821 292 HD1 PHE 41 HD1 PHE 41 1.249 -6.587 -4.881 293 HD2 PHE 41 HD2 PHE 41 5.115 -5.166 -5.974 294 HE1 PHE 41 HE1 PHE 41 0.823 -7.197 -7.210 295 HE2 PHE 41 HE2 PHE 41 4.684 -5.784 -8.300 296 HZ PHE 41 HZ PHE 41 2.525 -6.805 -8.920 297 H LYS 42 H LYS 42 6.193 -5.837 -2.747 298 HA LYS 42 HA LYS 42 7.490 -8.201 -3.677 299 HB2 LYS 42 HB2 LYS 42 6.538 -7.073 -5.756 300 HB3 LYS 42 HB3 LYS 42 7.500 -5.671 -5.368 301 HG2 LYS 42 HG2 LYS 42 9.543 -7.007 -5.682 302 HG3 LYS 42 HG3 LYS 42 8.528 -8.397 -6.095 303 HD2 LYS 42 HD2 LYS 42 7.522 -7.065 -7.919 304 HD3 LYS 42 HD3 LYS 42 8.661 -5.774 -7.561 305 HE2 LYS 42 HE2 LYS 42 10.529 -7.239 -8.093 306 HE3 LYS 42 HE3 LYS 42 9.419 -8.577 -8.377 307 HZ1 LYS 42 HZ1 LYS 42 8.467 -7.334 -10.243 308 HZ2 LYS 42 HZ2 LYS 42 10.123 -7.534 -10.440 309 HZ3 LYS 42 HZ3 LYS 42 9.531 -6.058 -9.956 310 H ASP 43 H ASP 43 9.892 -7.563 -3.730 311 HA ASP 43 HA ASP 43 10.707 -6.163 -1.472 312 HB2 ASP 43 HB2 ASP 43 12.179 -6.745 -4.058 313 HB3 ASP 43 HB3 ASP 43 12.953 -6.089 -2.628 314 H TYR 44 H TYR 44 10.441 -4.094 -1.069 315 HA TYR 44 HA TYR 44 10.508 -1.849 -1.174 316 HB2 TYR 44 HB2 TYR 44 11.720 -2.244 -3.922 317 HB3 TYR 44 HB3 TYR 44 11.418 -0.659 -3.228 318 HD1 TYR 44 HD1 TYR 44 12.772 0.179 -1.426 319 HD2 TYR 44 HD2 TYR 44 13.502 -3.677 -3.050 320 HE1 TYR 44 HE1 TYR 44 14.954 0.136 -0.309 321 HE2 TYR 44 HE2 TYR 44 15.691 -3.740 -1.937 322 HH TYR 44 HH TYR 44 16.582 -1.475 0.463 323 H TYR 45 H TYR 45 8.256 -3.582 -2.269 324 HA TYR 45 HA TYR 45 6.709 -1.319 -3.311 325 HB2 TYR 45 HB2 TYR 45 6.704 -4.095 -4.487 326 HB3 TYR 45 HB3 TYR 45 5.550 -2.835 -4.887 327 HD1 TYR 45 HD1 TYR 45 8.866 -4.143 -5.491 328 HD2 TYR 45 HD2 TYR 45 6.319 -0.807 -6.028 329 HE1 TYR 45 HE1 TYR 45 10.371 -3.315 -7.219 330 HE2 TYR 45 HE2 TYR 45 7.825 0.053 -7.796 331 HH TYR 45 HH TYR 45 10.297 -0.219 -8.349 332 H CYS 46 H CYS 46 4.648 -1.292 -2.803 333 HA CYS 46 HA CYS 46 3.729 -3.352 -0.906 334 HB2 CYS 46 HB2 CYS 46 3.277 -0.370 -0.723 335 HB3 CYS 46 HB3 CYS 46 2.430 -1.559 0.257 336 H ASN 47 H ASN 47 1.685 -4.059 -1.108 337 HA ASN 47 HA ASN 47 0.256 -3.264 -3.551 338 HB2 ASN 47 HB2 ASN 47 0.785 -5.732 -3.049 339 HB3 ASN 47 HB3 ASN 47 -0.310 -5.579 -1.683 340 HD21 ASN 47 HD21 ASN 47 -1.820 -6.991 -2.405 341 HD22 ASN 47 HD22 ASN 47 -2.812 -6.740 -3.778 342 H CYS 48 H CYS 48 -0.948 -1.608 -3.062 343 HA CYS 48 HA CYS 48 -2.138 -1.325 -0.456 344 HB2 CYS 48 HB2 CYS 48 -2.460 0.421 -2.888 345 HB3 CYS 48 HB3 CYS 48 -2.753 0.802 -1.186 346 H HIS 49 H HIS 49 -4.248 -1.673 -0.038 347 HA HIS 49 HA HIS 49 -5.861 -2.667 -2.243 348 HB2 HIS 49 HB2 HIS 49 -6.067 -3.126 0.755 349 HB3 HIS 49 HB3 HIS 49 -7.271 -3.665 -0.406 350 HD1 HIS 49 HD3 HIS 49 -7.024 -6.087 -0.890 351 HD2 HIS 49 HD2 HIS 49 -3.376 -4.256 -0.094 352 HE1 HIS 49 HE1 HIS 49 -5.267 -7.901 -1.085 353 H ILE 50 H ILE 50 -6.658 -0.870 -3.010 354 HA ILE 50 HA ILE 50 -7.498 1.244 -1.224 355 HB ILE 50 HB ILE 50 -8.109 1.264 -4.164 356 HG12 ILE 50 HG12 ILE 50 -5.722 0.532 -4.031 357 HG13 ILE 50 HG13 ILE 50 -5.897 2.133 -4.723 358 HG21 ILE 50 HG21 ILE 50 -7.674 3.670 -3.847 359 HG22 ILE 50 HG22 ILE 50 -7.216 3.305 -2.176 360 HG23 ILE 50 HG23 ILE 50 -8.882 3.049 -2.700 361 HD11 ILE 50 HD11 ILE 50 -5.031 1.479 -1.923 362 HD12 ILE 50 HD12 ILE 50 -5.219 3.107 -2.582 363 HD13 ILE 50 HD13 ILE 50 -3.998 2.018 -3.250 364 H ILE 51 H ILE 51 -9.584 1.516 -0.598 365 HA ILE 51 HA ILE 51 -11.481 -0.491 -1.208 366 HB ILE 51 HB ILE 51 -11.960 2.255 0.018 367 HG12 ILE 51 HG12 ILE 51 -11.451 -0.405 1.380 368 HG13 ILE 51 HG13 ILE 51 -10.288 0.910 1.269 369 HG21 ILE 51 HG21 ILE 51 -13.976 1.207 0.977 370 HG22 ILE 51 HG22 ILE 51 -13.620 -0.277 0.091 371 HG23 ILE 51 HG23 ILE 51 -14.016 1.201 -0.786 372 HD11 ILE 51 HD11 ILE 51 -11.768 2.318 2.612 373 HD12 ILE 51 HD12 ILE 51 -11.338 0.831 3.457 374 HD13 ILE 51 HD13 ILE 51 -12.929 0.994 2.715 375 H ILE 52 H ILE 52 -12.839 -0.603 -2.869 376 HA ILE 52 HA ILE 52 -12.514 1.152 -5.072 377 HB ILE 52 HB ILE 52 -14.605 -1.018 -4.653 378 HG12 ILE 52 HG12 ILE 52 -11.907 -1.147 -6.026 379 HG13 ILE 52 HG13 ILE 52 -12.297 -1.854 -4.464 380 HG21 ILE 52 HG21 ILE 52 -15.204 0.548 -6.448 381 HG22 ILE 52 HG22 ILE 52 -14.803 -1.046 -7.088 382 HG23 ILE 52 HG23 ILE 52 -13.636 0.270 -7.212 383 HD11 ILE 52 HD11 ILE 52 -12.267 -3.530 -6.222 384 HD12 ILE 52 HD12 ILE 52 -13.504 -2.639 -7.112 385 HD13 ILE 52 HD13 ILE 52 -13.887 -3.360 -5.547 386 H HIS 53 H HIS 53 -14.921 0.723 -2.607 387 HA HIS 53 HA HIS 53 -16.636 2.734 -3.786 388 HB2 HIS 53 HB2 HIS 53 -17.021 0.963 -1.361 389 HB3 HIS 53 HB3 HIS 53 -18.199 2.143 -1.923 390 HD1 HIS 53 HD3 HIS 53 -17.449 -1.369 -2.198 391 HD2 HIS 53 HD2 HIS 53 -18.957 1.563 -4.713 392 HE1 HIS 53 HE1 HIS 53 -18.610 -2.596 -4.060
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