NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
498278 | 2kw2 | 16805 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -4.611 18.190 6.860 2 H2 MET 1 2H MET 1 -3.750 18.890 8.134 3 H3 MET 1 3H MET 1 -4.062 17.230 8.130 4 HA MET 1 HA MET 1 -2.390 18.661 6.154 5 HB2 MET 1 2HB MET 1 -1.581 16.855 8.483 6 HB3 MET 1 1HB MET 1 -0.475 17.450 7.251 7 HG2 MET 1 2HG MET 1 -0.804 19.739 7.999 8 HG3 MET 1 1HG MET 1 -2.035 19.217 9.147 9 HE1 MET 1 3HE MET 1 1.840 19.116 8.267 10 HE2 MET 1 1HE MET 1 1.424 17.401 8.369 11 HE3 MET 1 2HE MET 1 2.458 18.133 9.596 12 H THR 2 H THR 2 -2.751 17.605 4.247 13 HA THR 2 HA THR 2 -3.573 14.887 3.987 14 HB THR 2 HB THR 2 -2.322 16.705 1.871 15 HG1 THR 2 HG1 THR 2 -4.821 16.614 3.041 16 HG21 THR 2 3HG2 THR 2 -3.462 15.245 0.225 17 HG22 THR 2 1HG2 THR 2 -4.035 14.200 1.534 18 HG23 THR 2 2HG2 THR 2 -2.309 14.316 1.179 19 H SER 3 H SER 3 -2.233 13.395 4.822 20 HA SER 3 HA SER 3 0.658 13.410 4.340 21 HB2 SER 3 2HB SER 3 -0.240 12.951 6.634 22 HB3 SER 3 1HB SER 3 -1.066 11.517 6.019 23 HG SER 3 HG SER 3 1.165 11.354 7.031 24 H THR 4 H THR 4 1.584 11.155 3.893 25 HA THR 4 HA THR 4 0.918 10.126 1.410 26 HB THR 4 HB THR 4 2.272 8.575 3.668 27 HG1 THR 4 HG1 THR 4 3.322 10.466 1.805 28 HG21 THR 4 3HG2 THR 4 3.485 7.418 1.867 29 HG22 THR 4 1HG2 THR 4 2.591 8.337 0.648 30 HG23 THR 4 2HG2 THR 4 1.748 7.181 1.684 31 H PHE 5 H PHE 5 -0.237 9.177 4.624 32 HA PHE 5 HA PHE 5 -1.562 6.778 3.853 33 HB2 PHE 5 2HB PHE 5 -0.925 7.041 6.176 34 HB3 PHE 5 1HB PHE 5 -1.878 8.514 6.336 35 HD1 PHE 5 HD1 PHE 5 -2.251 4.856 5.548 36 HD2 PHE 5 HD2 PHE 5 -4.110 8.359 7.163 37 HE1 PHE 5 HE1 PHE 5 -4.230 3.544 6.158 38 HE2 PHE 5 HE2 PHE 5 -6.080 7.022 7.778 39 HZ PHE 5 HZ PHE 5 -6.141 4.612 7.275 40 H ASP 6 H ASP 6 -2.636 10.151 4.037 41 HA ASP 6 HA ASP 6 -5.426 9.842 3.880 42 HB2 ASP 6 2HB ASP 6 -3.628 12.042 2.751 43 HB3 ASP 6 1HB ASP 6 -5.390 12.137 2.753 44 H ARG 7 H ARG 7 -2.978 10.025 1.348 45 HA ARG 7 HA ARG 7 -4.741 9.752 -0.882 46 HB2 ARG 7 2HB ARG 7 -1.736 9.354 -0.670 47 HB3 ARG 7 1HB ARG 7 -2.630 9.403 -2.186 48 HG2 ARG 7 2HG ARG 7 -2.563 11.707 -0.210 49 HG3 ARG 7 1HG ARG 7 -1.422 11.535 -1.543 50 HD2 ARG 7 2HD ARG 7 -3.150 13.074 -2.225 51 HD3 ARG 7 1HD ARG 7 -3.369 11.586 -3.145 52 HE ARG 7 HE ARG 7 -4.976 12.114 -0.722 53 HH11 ARG 7 1HH1 ARG 7 -4.910 11.534 -4.171 54 HH12 ARG 7 2HH1 ARG 7 -6.635 11.420 -4.290 55 HH21 ARG 7 1HH2 ARG 7 -7.199 11.938 -0.897 56 HH22 ARG 7 2HH2 ARG 7 -7.927 11.662 -2.446 57 H VAL 8 H VAL 8 -2.599 7.396 0.837 58 HA VAL 8 HA VAL 8 -3.069 5.153 -0.782 59 HB VAL 8 HB VAL 8 -2.441 5.231 2.210 60 HG11 VAL 8 1HG1 VAL 8 -1.596 2.905 1.957 61 HG12 VAL 8 2HG1 VAL 8 -2.167 2.876 0.285 62 HG13 VAL 8 3HG1 VAL 8 -3.325 3.002 1.612 63 HG21 VAL 8 3HG2 VAL 8 -0.740 6.358 0.836 64 HG22 VAL 8 1HG2 VAL 8 -0.574 4.918 -0.167 65 HG23 VAL 8 2HG2 VAL 8 -0.096 4.872 1.533 66 H ALA 9 H ALA 9 -4.842 6.339 2.024 67 HA ALA 9 HA ALA 9 -6.662 4.220 2.375 68 HB1 ALA 9 3HB ALA 9 -6.233 5.883 4.129 69 HB2 ALA 9 1HB ALA 9 -7.956 5.816 3.752 70 HB3 ALA 9 2HB ALA 9 -6.965 7.142 3.135 71 H THR 10 H THR 10 -6.851 7.259 0.534 72 HA THR 10 HA THR 10 -9.421 6.971 -0.579 73 HB THR 10 HB THR 10 -6.962 8.449 -1.600 74 HG1 THR 10 HG1 THR 10 -8.734 10.153 -0.840 75 HG21 THR 10 3HG2 THR 10 -8.462 8.072 -3.511 76 HG22 THR 10 1HG2 THR 10 -8.485 9.772 -3.027 77 HG23 THR 10 2HG2 THR 10 -9.826 8.712 -2.584 78 H ILE 11 H ILE 11 -6.231 5.878 -1.766 79 HA ILE 11 HA ILE 11 -6.915 4.943 -4.322 80 HB ILE 11 HB ILE 11 -4.787 4.050 -2.343 81 HG12 ILE 11 2HG1 ILE 11 -4.502 6.342 -3.317 82 HG13 ILE 11 1HG1 ILE 11 -3.179 5.265 -3.736 83 HG21 ILE 11 1HG2 ILE 11 -5.078 3.056 -5.203 84 HG22 ILE 11 2HG2 ILE 11 -5.233 2.097 -3.731 85 HG23 ILE 11 3HG2 ILE 11 -3.671 2.771 -4.177 86 HD11 ILE 11 3HD1 ILE 11 -3.887 6.702 -5.578 87 HD12 ILE 11 1HD1 ILE 11 -5.478 5.950 -5.557 88 HD13 ILE 11 2HD1 ILE 11 -4.051 4.992 -5.964 89 H ILE 12 H ILE 12 -6.613 3.119 -1.272 90 HA ILE 12 HA ILE 12 -7.504 0.619 -2.227 91 HB ILE 12 HB ILE 12 -7.371 1.750 0.602 92 HG12 ILE 12 2HG1 ILE 12 -5.451 -0.037 -0.961 93 HG13 ILE 12 1HG1 ILE 12 -5.194 1.654 -0.557 94 HG21 ILE 12 1HG2 ILE 12 -8.952 -0.126 0.623 95 HG22 ILE 12 2HG2 ILE 12 -7.462 -0.582 1.444 96 HG23 ILE 12 3HG2 ILE 12 -7.773 -1.160 -0.193 97 HD11 ILE 12 3HD1 ILE 12 -3.874 0.214 0.839 98 HD12 ILE 12 1HD1 ILE 12 -5.314 -0.645 1.383 99 HD13 ILE 12 2HD1 ILE 12 -5.079 1.053 1.816 100 H ALA 13 H ALA 13 -9.184 3.344 -0.774 101 HA ALA 13 HA ALA 13 -11.707 2.243 -0.316 102 HB1 ALA 13 3HB ALA 13 -11.053 5.092 -1.130 103 HB2 ALA 13 1HB ALA 13 -11.046 4.454 0.515 104 HB3 ALA 13 2HB ALA 13 -12.560 4.549 -0.387 105 H GLU 14 H GLU 14 -10.532 3.960 -3.232 106 HA GLU 14 HA GLU 14 -12.995 3.509 -4.687 107 HB2 GLU 14 2HB GLU 14 -10.349 4.713 -5.621 108 HB3 GLU 14 1HB GLU 14 -11.873 4.782 -6.507 109 HG2 GLU 14 2HG GLU 14 -12.859 6.074 -4.621 110 HG3 GLU 14 1HG GLU 14 -11.288 6.073 -3.824 111 H THR 15 H THR 15 -9.885 1.898 -4.479 112 HA THR 15 HA THR 15 -10.074 0.418 -6.934 113 HB THR 15 HB THR 15 -8.319 0.053 -4.461 114 HG1 THR 15 HG1 THR 15 -7.899 1.932 -5.694 115 HG21 THR 15 3HG2 THR 15 -8.470 -2.121 -5.581 116 HG22 THR 15 1HG2 THR 15 -6.881 -1.404 -5.863 117 HG23 THR 15 2HG2 THR 15 -8.102 -1.368 -7.135 118 H CYS 16 H CYS 16 -10.250 -0.547 -3.500 119 HA CYS 16 HA CYS 16 -11.270 -3.178 -4.142 120 HB2 CYS 16 2HB CYS 16 -10.897 -2.082 -1.340 121 HB3 CYS 16 1HB CYS 16 -10.635 -3.721 -1.942 122 HG CYS 16 HG CYS 16 -8.272 -3.160 -3.228 123 H ASP 17 H ASP 17 -12.792 -0.239 -3.765 124 HA ASP 17 HA ASP 17 -14.844 0.538 -3.331 125 HB2 ASP 17 2HB ASP 17 -15.671 -2.390 -3.441 126 HB3 ASP 17 1HB ASP 17 -16.808 -1.044 -3.381 127 H ILE 18 H ILE 18 -13.024 -0.500 -1.092 128 HA ILE 18 HA ILE 18 -14.794 -1.070 1.129 129 HB ILE 18 HB ILE 18 -11.818 -0.363 1.101 130 HG12 ILE 18 2HG1 ILE 18 -13.133 -3.110 1.347 131 HG13 ILE 18 1HG1 ILE 18 -12.346 -2.495 -0.101 132 HG21 ILE 18 1HG2 ILE 18 -12.793 0.121 3.310 133 HG22 ILE 18 2HG2 ILE 18 -11.729 -1.280 3.410 134 HG23 ILE 18 3HG2 ILE 18 -13.478 -1.502 3.387 135 HD11 ILE 18 3HD1 ILE 18 -10.198 -2.449 1.077 136 HD12 ILE 18 1HD1 ILE 18 -10.921 -4.057 1.109 137 HD13 ILE 18 2HD1 ILE 18 -10.986 -3.037 2.544 138 HA PRO 19 HA PRO 19 -15.708 3.376 1.564 139 HB2 PRO 19 2HB PRO 19 -17.062 3.253 3.986 140 HB3 PRO 19 1HB PRO 19 -17.787 2.882 2.417 141 HG2 PRO 19 2HG PRO 19 -16.678 0.999 4.483 142 HG3 PRO 19 1HG PRO 19 -18.170 0.863 3.529 143 HD2 PRO 19 2HD PRO 19 -15.929 -0.516 2.872 144 HD3 PRO 19 1HD PRO 19 -17.035 0.108 1.624 145 H ARG 20 H ARG 20 -14.799 5.085 2.557 146 HA ARG 20 HA ARG 20 -12.308 4.926 3.777 147 HB2 ARG 20 2HB ARG 20 -14.336 7.187 3.630 148 HB3 ARG 20 1HB ARG 20 -12.769 7.409 4.403 149 HG2 ARG 20 2HG ARG 20 -13.141 6.567 1.504 150 HG3 ARG 20 1HG ARG 20 -12.845 8.222 2.050 151 HD2 ARG 20 2HD ARG 20 -10.969 5.841 2.300 152 HD3 ARG 20 1HD ARG 20 -10.735 7.291 1.320 153 HE ARG 20 HE ARG 20 -10.748 7.256 4.277 154 HH11 ARG 20 1HH1 ARG 20 -9.423 8.563 1.303 155 HH12 ARG 20 2HH1 ARG 20 -8.347 9.639 2.128 156 HH21 ARG 20 1HH2 ARG 20 -9.352 8.651 5.331 157 HH22 ARG 20 2HH2 ARG 20 -8.307 9.682 4.410 158 H GLU 21 H GLU 21 -15.495 5.108 5.254 159 HA GLU 21 HA GLU 21 -14.812 5.743 7.900 160 HB2 GLU 21 2HB GLU 21 -17.013 4.779 8.512 161 HB3 GLU 21 1HB GLU 21 -17.126 5.829 7.101 162 HG2 GLU 21 2HG GLU 21 -17.346 3.955 5.617 163 HG3 GLU 21 1HG GLU 21 -16.935 2.807 6.890 164 H THR 22 H THR 22 -14.825 2.588 6.227 165 HA THR 22 HA THR 22 -14.305 1.078 8.678 166 HB THR 22 HB THR 22 -14.356 -0.928 7.164 167 HG1 THR 22 HG1 THR 22 -13.760 0.690 5.256 168 HG21 THR 22 3HG2 THR 22 -16.748 -0.799 6.554 169 HG22 THR 22 1HG2 THR 22 -16.717 0.955 6.771 170 HG23 THR 22 2HG2 THR 22 -16.473 -0.114 8.158 171 H ILE 23 H ILE 23 -12.410 2.825 6.533 172 HA ILE 23 HA ILE 23 -10.018 1.142 6.642 173 HB ILE 23 HB ILE 23 -10.605 3.860 5.371 174 HG12 ILE 23 2HG1 ILE 23 -10.078 1.126 4.119 175 HG13 ILE 23 1HG1 ILE 23 -11.650 1.903 4.242 176 HG21 ILE 23 1HG2 ILE 23 -7.991 2.321 5.246 177 HG22 ILE 23 2HG2 ILE 23 -8.250 3.864 6.055 178 HG23 ILE 23 3HG2 ILE 23 -8.375 3.759 4.301 179 HD11 ILE 23 3HD1 ILE 23 -10.755 2.066 2.004 180 HD12 ILE 23 1HD1 ILE 23 -9.309 2.879 2.604 181 HD13 ILE 23 2HD1 ILE 23 -10.885 3.672 2.723 182 H THR 24 H THR 24 -8.392 1.460 8.090 183 HA THR 24 HA THR 24 -8.069 3.959 9.601 184 HB THR 24 HB THR 24 -7.637 2.406 11.715 185 HG1 THR 24 HG1 THR 24 -9.599 0.812 10.441 186 HG21 THR 24 3HG2 THR 24 -9.420 4.103 11.668 187 HG22 THR 24 1HG2 THR 24 -9.990 2.627 12.455 188 HG23 THR 24 2HG2 THR 24 -10.479 2.990 10.799 189 HA PRO 25 HA PRO 25 -3.683 3.423 8.854 190 HB2 PRO 25 2HB PRO 25 -3.268 3.943 11.809 191 HB3 PRO 25 1HB PRO 25 -2.480 4.700 10.415 192 HG2 PRO 25 2HG PRO 25 -4.392 6.012 11.701 193 HG3 PRO 25 1HG PRO 25 -4.343 6.046 9.923 194 HD2 PRO 25 2HD PRO 25 -6.155 4.461 11.742 195 HD3 PRO 25 1HD PRO 25 -6.530 5.285 10.214 196 H GLU 26 H GLU 26 -4.828 1.768 11.803 197 HA GLU 26 HA GLU 26 -2.502 -0.032 11.833 198 HB2 GLU 26 2HB GLU 26 -4.852 0.182 13.755 199 HB3 GLU 26 1HB GLU 26 -3.449 -0.860 13.982 200 HG2 GLU 26 2HG GLU 26 -1.985 1.095 14.143 201 HG3 GLU 26 1HG GLU 26 -3.349 2.169 13.827 202 H SER 27 H SER 27 -5.433 -0.011 10.278 203 HA SER 27 HA SER 27 -6.234 -2.749 10.420 204 HB2 SER 27 2HB SER 27 -7.792 -1.020 9.633 205 HB3 SER 27 1HB SER 27 -6.730 -0.621 8.279 206 HG SER 27 HG SER 27 -8.626 -2.498 8.431 207 H HIS 28 H HIS 28 -5.540 -4.467 9.223 208 HA HIS 28 HA HIS 28 -3.202 -4.190 7.457 209 HB2 HIS 28 2HB HIS 28 -3.164 -5.781 9.414 210 HB3 HIS 28 1HB HIS 28 -4.470 -6.689 8.668 211 HD2 HIS 28 HD2 HIS 28 -0.769 -6.814 8.907 212 HE1 HIS 28 HE1 HIS 28 -1.734 -8.846 5.344 213 HE2 HIS 28 HE2 HIS 28 -0.074 -8.656 7.231 214 H ALA 29 H ALA 29 -3.423 -4.482 5.272 215 HA ALA 29 HA ALA 29 -5.793 -4.460 3.893 216 HB1 ALA 29 3HB ALA 29 -3.183 -5.641 2.887 217 HB2 ALA 29 1HB ALA 29 -3.608 -3.929 2.875 218 HB3 ALA 29 2HB ALA 29 -4.521 -5.070 1.887 219 H ILE 30 H ILE 30 -3.764 -7.412 4.355 220 HA ILE 30 HA ILE 30 -5.734 -9.143 3.140 221 HB ILE 30 HB ILE 30 -3.208 -9.822 4.706 222 HG12 ILE 30 2HG1 ILE 30 -3.687 -9.734 1.693 223 HG13 ILE 30 1HG1 ILE 30 -2.809 -8.515 2.612 224 HG21 ILE 30 1HG2 ILE 30 -4.933 -11.653 3.000 225 HG22 ILE 30 2HG2 ILE 30 -4.728 -11.742 4.749 226 HG23 ILE 30 3HG2 ILE 30 -3.363 -12.078 3.687 227 HD11 ILE 30 3HD1 ILE 30 -1.303 -9.986 1.430 228 HD12 ILE 30 1HD1 ILE 30 -1.994 -11.393 2.233 229 HD13 ILE 30 2HD1 ILE 30 -1.104 -10.189 3.168 230 H ASP 31 H ASP 31 -4.483 -8.787 6.474 231 HA ASP 31 HA ASP 31 -6.020 -10.849 7.632 232 HB2 ASP 31 2HB ASP 31 -3.979 -10.163 8.721 233 HB3 ASP 31 1HB ASP 31 -4.531 -8.498 8.852 234 H ASP 32 H ASP 32 -6.472 -7.287 7.811 235 HA ASP 32 HA ASP 32 -8.992 -7.611 9.251 236 HB2 ASP 32 2HB ASP 32 -7.333 -5.858 9.942 237 HB3 ASP 32 1HB ASP 32 -7.574 -5.039 8.403 238 H LEU 33 H LEU 33 -8.009 -5.708 6.348 239 HA LEU 33 HA LEU 33 -10.651 -5.112 5.536 240 HB2 LEU 33 2HB LEU 33 -8.071 -5.005 3.938 241 HB3 LEU 33 1HB LEU 33 -9.593 -4.289 3.421 242 HG LEU 33 HG LEU 33 -7.908 -3.433 5.821 243 HD11 LEU 33 1HD1 LEU 33 -7.571 -1.348 4.554 244 HD12 LEU 33 2HD1 LEU 33 -8.444 -2.031 3.182 245 HD13 LEU 33 3HD1 LEU 33 -6.922 -2.750 3.710 246 HD21 LEU 33 3HD2 LEU 33 -10.253 -3.127 6.382 247 HD22 LEU 33 1HD2 LEU 33 -10.561 -2.294 4.854 248 HD23 LEU 33 2HD2 LEU 33 -9.517 -1.558 6.076 249 H GLY 34 H GLY 34 -8.556 -7.849 4.808 250 HA2 GLY 34 2HA GLY 34 -9.056 -9.862 3.779 251 HA3 GLY 34 1HA GLY 34 -10.705 -9.296 3.523 252 H ILE 35 H ILE 35 -7.690 -7.835 2.487 253 HA ILE 35 HA ILE 35 -8.543 -7.660 -0.292 254 HB ILE 35 HB ILE 35 -6.180 -6.544 1.271 255 HG12 ILE 35 2HG1 ILE 35 -8.489 -5.154 -0.140 256 HG13 ILE 35 1HG1 ILE 35 -8.387 -5.438 1.595 257 HG21 ILE 35 1HG2 ILE 35 -6.626 -6.218 -1.720 258 HG22 ILE 35 2HG2 ILE 35 -5.291 -7.073 -0.948 259 HG23 ILE 35 3HG2 ILE 35 -5.440 -5.328 -0.760 260 HD11 ILE 35 3HD1 ILE 35 -7.852 -3.151 1.054 261 HD12 ILE 35 1HD1 ILE 35 -6.577 -3.669 -0.041 262 HD13 ILE 35 2HD1 ILE 35 -6.420 -3.956 1.691 263 H ASP 36 H ASP 36 -7.861 -9.020 -1.827 264 HA ASP 36 HA ASP 36 -5.986 -11.189 -1.221 265 HB2 ASP 36 2HB ASP 36 -8.209 -11.675 -2.297 266 HB3 ASP 36 1HB ASP 36 -7.735 -10.707 -3.684 267 H SER 37 H SER 37 -4.200 -11.689 -2.721 268 HA SER 37 HA SER 37 -2.470 -9.724 -3.411 269 HB2 SER 37 2HB SER 37 -2.821 -12.407 -4.804 270 HB3 SER 37 1HB SER 37 -1.367 -11.407 -4.871 271 HG SER 37 HG SER 37 -1.932 -11.692 -2.320 272 H LEU 38 H LEU 38 -5.125 -10.966 -5.439 273 HA LEU 38 HA LEU 38 -4.237 -9.799 -7.900 274 HB2 LEU 38 2HB LEU 38 -7.030 -10.775 -7.172 275 HB3 LEU 38 1HB LEU 38 -6.429 -10.464 -8.798 276 HG LEU 38 HG LEU 38 -5.609 -12.718 -6.920 277 HD11 LEU 38 1HD1 LEU 38 -6.414 -14.192 -8.712 278 HD12 LEU 38 2HD1 LEU 38 -6.890 -12.784 -9.668 279 HD13 LEU 38 3HD1 LEU 38 -7.685 -13.118 -8.126 280 HD21 LEU 38 3HD2 LEU 38 -4.320 -11.969 -9.559 281 HD22 LEU 38 1HD2 LEU 38 -4.026 -13.465 -8.669 282 HD23 LEU 38 2HD2 LEU 38 -3.575 -11.921 -7.961 283 H ASP 39 H ASP 39 -6.431 -8.815 -5.346 284 HA ASP 39 HA ASP 39 -7.395 -6.411 -6.604 285 HB2 ASP 39 2HB ASP 39 -8.770 -7.453 -4.884 286 HB3 ASP 39 1HB ASP 39 -7.445 -7.411 -3.722 287 H PHE 40 H PHE 40 -4.748 -7.249 -4.408 288 HA PHE 40 HA PHE 40 -3.997 -4.574 -3.763 289 HB2 PHE 40 2HB PHE 40 -3.502 -6.738 -2.400 290 HB3 PHE 40 1HB PHE 40 -2.145 -6.968 -3.497 291 HD1 PHE 40 HD2 PHE 40 -3.542 -4.820 -0.832 292 HD2 PHE 40 HD1 PHE 40 -0.161 -5.516 -3.358 293 HE1 PHE 40 HE2 PHE 40 -2.209 -3.268 0.521 294 HE2 PHE 40 HE1 PHE 40 1.170 -3.954 -1.991 295 HZ PHE 40 HZ PHE 40 0.138 -2.830 -0.058 296 H LEU 41 H LEU 41 -3.278 -6.713 -6.442 297 HA LEU 41 HA LEU 41 -1.002 -5.494 -7.565 298 HB2 LEU 41 2HB LEU 41 -3.447 -6.650 -8.956 299 HB3 LEU 41 1HB LEU 41 -1.953 -6.223 -9.783 300 HG LEU 41 HG LEU 41 -2.187 -8.363 -7.633 301 HD11 LEU 41 1HD1 LEU 41 -3.401 -9.036 -9.645 302 HD12 LEU 41 2HD1 LEU 41 -1.944 -10.003 -9.429 303 HD13 LEU 41 3HD1 LEU 41 -1.970 -8.710 -10.630 304 HD21 LEU 41 3HD2 LEU 41 0.146 -7.671 -9.445 305 HD22 LEU 41 1HD2 LEU 41 0.082 -9.025 -8.314 306 HD23 LEU 41 2HD2 LEU 41 0.054 -7.373 -7.709 307 H ASP 42 H ASP 42 -4.463 -4.714 -7.877 308 HA ASP 42 HA ASP 42 -4.248 -2.425 -9.549 309 HB2 ASP 42 2HB ASP 42 -6.478 -3.311 -7.672 310 HB3 ASP 42 1HB ASP 42 -6.623 -1.977 -8.811 311 H ILE 43 H ILE 43 -4.263 -2.859 -6.034 312 HA ILE 43 HA ILE 43 -4.550 -0.133 -5.262 313 HB ILE 43 HB ILE 43 -3.249 -2.489 -3.822 314 HG12 ILE 43 2HG1 ILE 43 -5.995 -1.197 -3.467 315 HG13 ILE 43 1HG1 ILE 43 -5.683 -2.743 -4.254 316 HG21 ILE 43 1HG2 ILE 43 -3.389 -1.177 -1.720 317 HG22 ILE 43 2HG2 ILE 43 -3.906 0.240 -2.639 318 HG23 ILE 43 3HG2 ILE 43 -2.293 -0.433 -2.888 319 HD11 ILE 43 3HD1 ILE 43 -4.851 -3.630 -2.106 320 HD12 ILE 43 1HD1 ILE 43 -6.527 -3.086 -2.035 321 HD13 ILE 43 2HD1 ILE 43 -5.253 -2.087 -1.344 322 H ALA 44 H ALA 44 -1.707 -2.212 -5.611 323 HA ALA 44 HA ALA 44 0.250 -0.254 -4.949 324 HB1 ALA 44 3HB ALA 44 1.887 -1.927 -5.721 325 HB2 ALA 44 1HB ALA 44 0.586 -2.877 -6.443 326 HB3 ALA 44 2HB ALA 44 0.660 -2.670 -4.692 327 H PHE 45 H PHE 45 -1.256 -1.271 -7.928 328 HA PHE 45 HA PHE 45 0.479 0.127 -9.734 329 HB2 PHE 45 2HB PHE 45 -0.999 -1.870 -10.305 330 HB3 PHE 45 1HB PHE 45 -2.377 -0.778 -10.287 331 HD1 PHE 45 HD2 PHE 45 1.012 -1.143 -11.856 332 HD2 PHE 45 HD1 PHE 45 -3.013 0.226 -12.336 333 HE1 PHE 45 HE2 PHE 45 1.470 -0.614 -14.212 334 HE2 PHE 45 HE1 PHE 45 -2.549 0.746 -14.694 335 HZ PHE 45 HZ PHE 45 -0.311 0.327 -15.632 336 H ALA 46 H ALA 46 -2.606 0.894 -8.166 337 HA ALA 46 HA ALA 46 -3.041 3.385 -9.508 338 HB1 ALA 46 3HB ALA 46 -4.169 2.398 -6.863 339 HB2 ALA 46 1HB ALA 46 -4.891 2.162 -8.457 340 HB3 ALA 46 2HB ALA 46 -4.758 3.789 -7.784 341 H ILE 47 H ILE 47 -1.455 2.466 -6.473 342 HA ILE 47 HA ILE 47 -0.764 5.044 -5.501 343 HB ILE 47 HB ILE 47 0.419 2.280 -5.040 344 HG12 ILE 47 2HG1 ILE 47 -1.141 4.031 -3.100 345 HG13 ILE 47 1HG1 ILE 47 -1.916 2.859 -4.156 346 HG21 ILE 47 1HG2 ILE 47 1.733 3.163 -3.152 347 HG22 ILE 47 2HG2 ILE 47 1.249 4.803 -3.574 348 HG23 ILE 47 3HG2 ILE 47 2.255 3.871 -4.682 349 HD11 ILE 47 3HD1 ILE 47 -1.612 2.031 -1.872 350 HD12 ILE 47 1HD1 ILE 47 0.130 2.198 -2.041 351 HD13 ILE 47 2HD1 ILE 47 -0.743 1.042 -3.045 352 H ASP 48 H ASP 48 0.902 2.711 -7.563 353 HA ASP 48 HA ASP 48 3.388 3.884 -7.948 354 HB2 ASP 48 2HB ASP 48 2.733 1.600 -8.692 355 HB3 ASP 48 1HB ASP 48 1.685 2.291 -9.919 356 H LYS 49 H LYS 49 0.343 4.444 -9.647 357 HA LYS 49 HA LYS 49 1.428 6.395 -11.498 358 HB2 LYS 49 2HB LYS 49 -1.407 5.407 -11.039 359 HB3 LYS 49 1HB LYS 49 -0.921 6.473 -12.354 360 HG2 LYS 49 2HG LYS 49 0.546 4.721 -13.260 361 HG3 LYS 49 1HG LYS 49 0.120 3.654 -11.920 362 HD2 LYS 49 2HD LYS 49 -1.135 3.046 -13.938 363 HD3 LYS 49 1HD LYS 49 -2.235 3.623 -12.682 364 HE2 LYS 49 2HE LYS 49 -2.826 4.516 -14.919 365 HE3 LYS 49 1HE LYS 49 -2.396 5.808 -13.801 366 HZ1 LYS 49 3HZ LYS 49 -0.214 5.901 -14.814 367 HZ2 LYS 49 1HZ LYS 49 -1.417 6.125 -15.977 368 HZ3 LYS 49 2HZ LYS 49 -0.619 4.645 -15.865 369 H ALA 50 H ALA 50 -0.501 6.440 -8.534 370 HA ALA 50 HA ALA 50 -1.546 9.094 -8.831 371 HB1 ALA 50 3HB ALA 50 -2.334 8.843 -6.509 372 HB2 ALA 50 1HB ALA 50 -1.363 7.377 -6.331 373 HB3 ALA 50 2HB ALA 50 -2.710 7.413 -7.470 374 H PHE 51 H PHE 51 0.964 7.703 -6.729 375 HA PHE 51 HA PHE 51 1.873 10.264 -5.741 376 HB2 PHE 51 2HB PHE 51 2.996 7.449 -5.430 377 HB3 PHE 51 1HB PHE 51 3.685 8.867 -4.653 378 HD1 PHE 51 HD1 PHE 51 0.643 6.711 -4.778 379 HD2 PHE 51 HD2 PHE 51 2.761 9.734 -2.612 380 HE1 PHE 51 HE1 PHE 51 -0.844 6.381 -2.851 381 HE2 PHE 51 HE2 PHE 51 1.264 9.391 -0.692 382 HZ PHE 51 HZ PHE 51 -0.533 7.712 -0.807 383 H GLY 52 H GLY 52 2.543 8.338 -8.528 384 HA2 GLY 52 2HA GLY 52 4.009 8.614 -10.286 385 HA3 GLY 52 1HA GLY 52 4.444 10.179 -9.607 386 H ILE 53 H ILE 53 4.721 6.847 -8.475 387 HA ILE 53 HA ILE 53 7.670 7.031 -8.250 388 HB ILE 53 HB ILE 53 7.526 5.725 -6.086 389 HG12 ILE 53 2HG1 ILE 53 4.550 6.440 -6.192 390 HG13 ILE 53 1HG1 ILE 53 5.214 4.824 -6.398 391 HG21 ILE 53 1HG2 ILE 53 6.225 8.472 -5.974 392 HG22 ILE 53 2HG2 ILE 53 7.960 8.147 -6.037 393 HG23 ILE 53 3HG2 ILE 53 7.022 7.640 -4.633 394 HD11 ILE 53 3HD1 ILE 53 5.363 6.483 -3.891 395 HD12 ILE 53 1HD1 ILE 53 6.003 4.852 -4.098 396 HD13 ILE 53 2HD1 ILE 53 4.266 5.138 -4.196 397 H LYS 54 H LYS 54 8.689 4.886 -8.225 398 HA LYS 54 HA LYS 54 7.141 2.847 -9.673 399 HB2 LYS 54 2HB LYS 54 9.403 3.497 -10.555 400 HB3 LYS 54 1HB LYS 54 10.138 2.924 -9.061 401 HG2 LYS 54 2HG LYS 54 9.277 0.630 -9.546 402 HG3 LYS 54 1HG LYS 54 8.605 1.226 -11.064 403 HD2 LYS 54 2HD LYS 54 10.706 0.103 -11.522 404 HD3 LYS 54 1HD LYS 54 10.918 1.830 -11.811 405 HE2 LYS 54 2HE LYS 54 12.034 2.062 -9.611 406 HE3 LYS 54 1HE LYS 54 11.803 0.340 -9.309 407 HZ1 LYS 54 3HZ LYS 54 14.021 0.807 -10.091 408 HZ2 LYS 54 1HZ LYS 54 13.416 1.507 -11.503 409 HZ3 LYS 54 2HZ LYS 54 13.199 -0.144 -11.221 410 H LEU 55 H LEU 55 5.873 1.924 -8.096 411 HA LEU 55 HA LEU 55 6.999 0.932 -5.607 412 HB2 LEU 55 2HB LEU 55 4.633 1.876 -5.875 413 HB3 LEU 55 1HB LEU 55 4.213 0.407 -6.741 414 HG LEU 55 HG LEU 55 5.260 0.359 -3.874 415 HD11 LEU 55 1HD1 LEU 55 3.256 1.727 -3.857 416 HD12 LEU 55 2HD1 LEU 55 2.928 0.170 -3.105 417 HD13 LEU 55 3HD1 LEU 55 2.362 0.492 -4.746 418 HD21 LEU 55 3HD2 LEU 55 5.379 -1.821 -5.006 419 HD22 LEU 55 1HD2 LEU 55 3.669 -1.717 -5.436 420 HD23 LEU 55 2HD2 LEU 55 4.153 -1.853 -3.741 421 HA PRO 56 HA PRO 56 7.930 -2.890 -7.939 422 HB2 PRO 56 2HB PRO 56 10.040 -3.760 -6.500 423 HB3 PRO 56 1HB PRO 56 10.187 -2.335 -7.542 424 HG2 PRO 56 2HG PRO 56 9.910 -2.481 -4.557 425 HG3 PRO 56 1HG PRO 56 10.853 -1.340 -5.536 426 HD2 PRO 56 2HD PRO 56 8.272 -0.875 -4.430 427 HD3 PRO 56 1HD PRO 56 9.076 0.123 -5.662 428 H LEU 57 H LEU 57 5.761 -3.561 -7.200 429 HA LEU 57 HA LEU 57 5.361 -4.836 -4.684 430 HB2 LEU 57 2HB LEU 57 3.490 -3.918 -6.064 431 HB3 LEU 57 1HB LEU 57 3.753 -5.191 -7.245 432 HG LEU 57 HG LEU 57 3.156 -6.905 -5.524 433 HD11 LEU 57 1HD1 LEU 57 2.542 -4.543 -3.720 434 HD12 LEU 57 2HD1 LEU 57 3.830 -5.732 -3.494 435 HD13 LEU 57 3HD1 LEU 57 2.143 -6.231 -3.382 436 HD21 LEU 57 3HD2 LEU 57 1.414 -6.073 -7.038 437 HD22 LEU 57 1HD2 LEU 57 1.015 -4.792 -5.892 438 HD23 LEU 57 2HD2 LEU 57 0.748 -6.479 -5.458 439 H GLU 58 H GLU 58 6.528 -5.886 -7.803 440 HA GLU 58 HA GLU 58 6.490 -8.660 -7.589 441 HB2 GLU 58 2HB GLU 58 8.391 -8.643 -9.156 442 HB3 GLU 58 1HB GLU 58 7.153 -7.494 -9.637 443 HG2 GLU 58 2HG GLU 58 8.503 -5.644 -8.685 444 HG3 GLU 58 1HG GLU 58 9.759 -6.805 -8.245 445 H LYS 59 H LYS 59 8.671 -6.329 -6.081 446 HA LYS 59 HA LYS 59 10.403 -8.333 -4.926 447 HB2 LYS 59 2HB LYS 59 11.357 -6.128 -5.432 448 HB3 LYS 59 1HB LYS 59 10.180 -5.336 -4.386 449 HG2 LYS 59 2HG LYS 59 11.166 -6.322 -2.412 450 HG3 LYS 59 1HG LYS 59 12.203 -7.368 -3.383 451 HD2 LYS 59 2HD LYS 59 13.452 -5.398 -4.182 452 HD3 LYS 59 1HD LYS 59 12.389 -4.334 -3.250 453 HE2 LYS 59 2HE LYS 59 14.573 -4.780 -2.109 454 HE3 LYS 59 1HE LYS 59 13.182 -5.292 -1.153 455 HZ1 LYS 59 3HZ LYS 59 14.935 -6.942 -1.103 456 HZ2 LYS 59 1HZ LYS 59 14.918 -7.065 -2.790 457 HZ3 LYS 59 2HZ LYS 59 13.578 -7.571 -1.889 458 H TRP 60 H TRP 60 7.786 -6.175 -3.759 459 HA TRP 60 HA TRP 60 8.067 -6.699 -1.009 460 HB2 TRP 60 2HB TRP 60 5.638 -5.722 -2.571 461 HB3 TRP 60 1HB TRP 60 5.737 -5.723 -0.811 462 HD1 TRP 60 HD1 TRP 60 9.011 -4.686 -2.325 463 HE1 TRP 60 HE1 TRP 60 9.287 -2.149 -2.188 464 HE3 TRP 60 HE3 TRP 60 4.239 -3.400 -0.979 465 HZ2 TRP 60 HZ2 TRP 60 7.745 0.104 -1.594 466 HZ3 TRP 60 HZ3 TRP 60 3.737 -1.013 -0.632 467 HH2 TRP 60 HH2 TRP 60 5.454 0.702 -0.931 468 H THR 61 H THR 61 5.624 -8.030 -3.278 469 HA THR 61 HA THR 61 4.491 -10.067 -1.864 470 HB THR 61 HB THR 61 5.329 -10.126 -4.812 471 HG1 THR 61 HG1 THR 61 2.752 -9.402 -3.884 472 HG21 THR 61 3HG2 THR 61 3.393 -11.638 -5.145 473 HG22 THR 61 1HG2 THR 61 3.095 -11.647 -3.404 474 HG23 THR 61 2HG2 THR 61 4.575 -12.358 -4.050 475 H GLN 62 H GLN 62 7.584 -10.183 -3.641 476 HA GLN 62 HA GLN 62 8.220 -12.909 -3.212 477 HB2 GLN 62 2HB GLN 62 9.272 -11.635 -5.009 478 HB3 GLN 62 1HB GLN 62 10.021 -10.537 -3.860 479 HG2 GLN 62 2HG GLN 62 11.668 -12.094 -4.742 480 HG3 GLN 62 1HG GLN 62 11.432 -12.368 -3.017 481 HE21 GLN 62 1HE2 GLN 62 12.230 -14.464 -3.125 482 HE22 GLN 62 2HE2 GLN 62 11.367 -15.764 -3.862 483 H GLU 63 H GLU 63 8.972 -10.009 -1.318 484 HA GLU 63 HA GLU 63 10.857 -11.075 0.455 485 HB2 GLU 63 2HB GLU 63 8.800 -8.910 1.053 486 HB3 GLU 63 1HB GLU 63 10.274 -9.213 1.967 487 HG2 GLU 63 2HG GLU 63 10.042 -8.144 -0.852 488 HG3 GLU 63 1HG GLU 63 10.584 -7.275 0.575 489 H VAL 64 H VAL 64 7.311 -10.967 0.601 490 HA VAL 64 HA VAL 64 7.035 -12.199 3.154 491 HB VAL 64 HB VAL 64 5.024 -11.905 0.879 492 HG11 VAL 64 1HG1 VAL 64 4.279 -13.656 2.451 493 HG12 VAL 64 2HG1 VAL 64 3.263 -12.224 2.618 494 HG13 VAL 64 3HG1 VAL 64 4.515 -12.558 3.817 495 HG21 VAL 64 3HG2 VAL 64 5.506 -10.116 3.308 496 HG22 VAL 64 1HG2 VAL 64 4.190 -9.916 2.146 497 HG23 VAL 64 2HG2 VAL 64 5.865 -9.707 1.626 498 H ASN 65 H ASN 65 6.628 -13.382 -0.185 499 HA ASN 65 HA ASN 65 5.945 -16.042 0.362 500 HB2 ASN 65 2HB ASN 65 7.236 -14.806 -2.106 501 HB3 ASN 65 1HB ASN 65 6.706 -16.484 -2.049 502 HD21 ASN 65 1HD2 ASN 65 5.778 -14.405 -3.795 503 HD22 ASN 65 2HD2 ASN 65 4.084 -14.233 -3.522 504 H ASP 66 H ASP 66 9.123 -14.556 0.184 505 HA ASP 66 HA ASP 66 10.511 -17.139 0.217 506 HB2 ASP 66 2HB ASP 66 11.178 -15.168 -1.290 507 HB3 ASP 66 1HB ASP 66 11.753 -14.361 0.163 508 H GLY 67 H GLY 67 9.122 -15.198 2.464 509 HA2 GLY 67 2HA GLY 67 9.073 -15.328 4.748 510 HA3 GLY 67 1HA GLY 67 10.324 -16.556 4.681 511 H LYS 68 H LYS 68 11.023 -13.578 3.100 512 HA LYS 68 HA LYS 68 13.084 -12.901 5.066 513 HB2 LYS 68 2HB LYS 68 12.445 -11.620 2.372 514 HB3 LYS 68 1HB LYS 68 13.887 -11.326 3.350 515 HG2 LYS 68 2HG LYS 68 13.113 -13.935 1.984 516 HG3 LYS 68 1HG LYS 68 14.415 -12.835 1.508 517 HD2 LYS 68 2HD LYS 68 15.606 -13.316 3.626 518 HD3 LYS 68 1HD LYS 68 14.294 -14.383 4.137 519 HE2 LYS 68 2HE LYS 68 16.223 -15.653 3.266 520 HE3 LYS 68 1HE LYS 68 14.788 -15.904 2.271 521 HZ1 LYS 68 3HZ LYS 68 16.915 -13.943 1.605 522 HZ2 LYS 68 1HZ LYS 68 15.635 -14.448 0.623 523 HZ3 LYS 68 2HZ LYS 68 16.879 -15.524 1.010 524 H ALA 69 H ALA 69 9.898 -12.053 4.420 525 HA ALA 69 HA ALA 69 9.872 -9.928 6.386 526 HB1 ALA 69 3HB ALA 69 8.920 -9.343 3.549 527 HB2 ALA 69 1HB ALA 69 10.368 -8.668 4.299 528 HB3 ALA 69 2HB ALA 69 8.777 -8.264 4.942 529 H THR 70 H THR 70 7.630 -9.236 6.807 530 HA THR 70 HA THR 70 5.691 -11.447 6.449 531 HB THR 70 HB THR 70 4.565 -10.493 8.515 532 HG1 THR 70 HG1 THR 70 6.950 -8.922 8.606 533 HG21 THR 70 3HG2 THR 70 6.078 -12.443 8.702 534 HG22 THR 70 1HG2 THR 70 6.190 -11.410 10.131 535 HG23 THR 70 2HG2 THR 70 7.457 -11.356 8.903 536 H THR 71 H THR 71 3.472 -10.861 6.235 537 HA THR 71 HA THR 71 2.895 -8.977 4.251 538 HB THR 71 HB THR 71 0.474 -9.327 4.852 539 HG1 THR 71 HG1 THR 71 0.927 -11.351 6.622 540 HG21 THR 71 3HG2 THR 71 2.101 -11.889 4.699 541 HG22 THR 71 1HG2 THR 71 1.601 -10.908 3.317 542 HG23 THR 71 2HG2 THR 71 0.388 -11.723 4.310 543 H GLU 72 H GLU 72 2.855 -8.658 7.758 544 HA GLU 72 HA GLU 72 1.339 -6.402 8.227 545 HB2 GLU 72 2HB GLU 72 2.310 -7.784 10.011 546 HB3 GLU 72 1HB GLU 72 3.937 -7.280 9.560 547 HG2 GLU 72 2HG GLU 72 3.419 -4.966 10.255 548 HG3 GLU 72 1HG GLU 72 1.779 -5.456 10.681 549 H GLN 73 H GLN 73 4.780 -6.531 7.301 550 HA GLN 73 HA GLN 73 5.388 -3.800 7.557 551 HB2 GLN 73 2HB GLN 73 7.074 -5.610 7.501 552 HB3 GLN 73 1HB GLN 73 6.738 -5.878 5.794 553 HG2 GLN 73 2HG GLN 73 7.582 -3.613 5.271 554 HG3 GLN 73 1HG GLN 73 7.871 -3.320 6.982 555 HE21 GLN 73 1HE2 GLN 73 8.603 -6.368 5.333 556 HE22 GLN 73 2HE2 GLN 73 10.317 -6.222 5.455 557 H TYR 74 H TYR 74 3.870 -5.519 4.877 558 HA TYR 74 HA TYR 74 4.133 -3.120 3.128 559 HB2 TYR 74 2HB TYR 74 4.119 -6.054 2.302 560 HB3 TYR 74 1HB TYR 74 4.152 -4.694 1.185 561 HD1 TYR 74 HD1 TYR 74 6.149 -2.906 1.843 562 HD2 TYR 74 HD2 TYR 74 6.205 -7.120 2.597 563 HE1 TYR 74 HE1 TYR 74 8.601 -2.861 1.909 564 HE2 TYR 74 HE2 TYR 74 8.661 -7.066 2.643 565 HH TYR 74 HH TYR 74 10.514 -5.624 1.767 566 H PHE 75 H PHE 75 1.792 -4.557 4.921 567 HA PHE 75 HA PHE 75 -0.304 -4.062 2.903 568 HB2 PHE 75 2HB PHE 75 -0.080 -6.561 4.627 569 HB3 PHE 75 1HB PHE 75 -1.573 -6.084 3.836 570 HD1 PHE 75 HD1 PHE 75 1.867 -7.352 3.248 571 HD2 PHE 75 HD2 PHE 75 -1.876 -6.375 1.432 572 HE1 PHE 75 HE1 PHE 75 2.561 -8.516 1.201 573 HE2 PHE 75 HE2 PHE 75 -1.171 -7.539 -0.616 574 HZ PHE 75 HZ PHE 75 1.044 -8.606 -0.740 575 H VAL 76 H VAL 76 0.485 -4.247 6.442 576 HA VAL 76 HA VAL 76 -1.930 -3.051 7.336 577 HB VAL 76 HB VAL 76 0.865 -2.574 8.492 578 HG11 VAL 76 1HG1 VAL 76 -1.843 -1.928 9.737 579 HG12 VAL 76 2HG1 VAL 76 -0.657 -0.754 9.161 580 HG13 VAL 76 3HG1 VAL 76 -0.280 -1.776 10.545 581 HG21 VAL 76 3HG2 VAL 76 0.205 -4.931 8.636 582 HG22 VAL 76 1HG2 VAL 76 -1.309 -4.482 9.423 583 HG23 VAL 76 2HG2 VAL 76 0.232 -4.200 10.241 584 H LEU 77 H LEU 77 -2.668 -0.920 7.186 585 HA LEU 77 HA LEU 77 -1.921 0.288 4.777 586 HB2 LEU 77 2HB LEU 77 -3.674 1.494 6.938 587 HB3 LEU 77 1HB LEU 77 -3.671 1.911 5.229 588 HG LEU 77 HG LEU 77 -4.669 -0.664 6.501 589 HD11 LEU 77 1HD1 LEU 77 -6.238 1.185 6.589 590 HD12 LEU 77 2HD1 LEU 77 -6.807 -0.067 5.491 591 HD13 LEU 77 3HD1 LEU 77 -6.103 1.417 4.842 592 HD21 LEU 77 3HD2 LEU 77 -3.473 -1.334 4.490 593 HD22 LEU 77 1HD2 LEU 77 -4.335 -0.125 3.536 594 HD23 LEU 77 2HD2 LEU 77 -5.205 -1.489 4.233 595 H LYS 78 H LYS 78 -1.284 1.349 8.130 596 HA LYS 78 HA LYS 78 0.089 3.744 7.453 597 HB2 LYS 78 2HB LYS 78 0.869 3.760 9.786 598 HB3 LYS 78 1HB LYS 78 -0.845 3.371 9.687 599 HG2 LYS 78 2HG LYS 78 -0.344 0.983 10.038 600 HG3 LYS 78 1HG LYS 78 1.380 1.352 10.126 601 HD2 LYS 78 2HD LYS 78 0.948 2.750 12.144 602 HD3 LYS 78 1HD LYS 78 -0.766 2.317 12.054 603 HE2 LYS 78 2HE LYS 78 0.378 0.928 13.715 604 HE3 LYS 78 1HE LYS 78 -0.166 -0.070 12.368 605 HZ1 LYS 78 3HZ LYS 78 2.084 -0.035 11.491 606 HZ2 LYS 78 1HZ LYS 78 2.067 -0.641 13.066 607 HZ3 LYS 78 2HZ LYS 78 2.602 0.934 12.771 608 H ASN 79 H ASN 79 1.248 0.392 7.847 609 HA ASN 79 HA ASN 79 4.063 0.949 7.767 610 HB2 ASN 79 2HB ASN 79 2.543 -1.611 7.092 611 HB3 ASN 79 1HB ASN 79 4.290 -1.512 7.289 612 HD21 ASN 79 1HD2 ASN 79 4.191 -3.082 8.905 613 HD22 ASN 79 2HD2 ASN 79 3.616 -2.737 10.494 614 H LEU 80 H LEU 80 1.748 -0.247 5.404 615 HA LEU 80 HA LEU 80 3.098 -0.239 3.035 616 HB2 LEU 80 2HB LEU 80 0.802 -1.079 3.333 617 HB3 LEU 80 1HB LEU 80 0.217 0.543 3.655 618 HG LEU 80 HG LEU 80 0.690 1.182 1.295 619 HD11 LEU 80 1HD1 LEU 80 1.256 -0.518 -0.383 620 HD12 LEU 80 2HD1 LEU 80 1.473 -1.720 0.890 621 HD13 LEU 80 3HD1 LEU 80 2.546 -0.322 0.800 622 HD21 LEU 80 3HD2 LEU 80 -1.077 -1.278 1.573 623 HD22 LEU 80 1HD2 LEU 80 -1.134 -0.109 0.247 624 HD23 LEU 80 2HD2 LEU 80 -1.553 0.396 1.882 625 H ALA 81 H ALA 81 1.389 2.459 4.611 626 HA ALA 81 HA ALA 81 1.980 4.450 2.649 627 HB1 ALA 81 3HB ALA 81 1.139 4.824 5.544 628 HB2 ALA 81 1HB ALA 81 0.051 4.643 4.167 629 HB3 ALA 81 2HB ALA 81 1.095 6.063 4.283 630 H ALA 82 H ALA 82 3.734 3.222 5.409 631 HA ALA 82 HA ALA 82 5.640 5.365 5.617 632 HB1 ALA 82 3HB ALA 82 5.215 3.836 7.510 633 HB2 ALA 82 1HB ALA 82 6.922 3.824 7.048 634 HB3 ALA 82 2HB ALA 82 5.867 2.486 6.577 635 H ARG 83 H ARG 83 5.591 2.171 4.018 636 HA ARG 83 HA ARG 83 8.151 2.304 2.815 637 HB2 ARG 83 2HB ARG 83 5.665 0.710 2.071 638 HB3 ARG 83 1HB ARG 83 7.222 0.499 1.278 639 HG2 ARG 83 2HG ARG 83 6.580 -0.064 4.195 640 HG3 ARG 83 1HG ARG 83 6.918 -1.250 2.926 641 HD2 ARG 83 2HD ARG 83 8.841 0.739 4.183 642 HD3 ARG 83 1HD ARG 83 8.925 -1.023 4.245 643 HE ARG 83 HE ARG 83 9.193 -0.700 1.637 644 HH11 ARG 83 1HH1 ARG 83 10.729 1.203 4.174 645 HH12 ARG 83 2HH1 ARG 83 12.077 1.634 3.176 646 HH21 ARG 83 1HH2 ARG 83 10.941 -0.078 0.361 647 HH22 ARG 83 2HH2 ARG 83 12.194 0.928 1.016 648 H ILE 84 H ILE 84 5.016 3.508 1.809 649 HA ILE 84 HA ILE 84 5.799 4.213 -0.888 650 HB ILE 84 HB ILE 84 3.390 5.008 0.800 651 HG12 ILE 84 2HG1 ILE 84 3.492 3.065 -1.548 652 HG13 ILE 84 1HG1 ILE 84 3.710 2.543 0.118 653 HG21 ILE 84 1HG2 ILE 84 3.798 5.503 -2.172 654 HG22 ILE 84 2HG2 ILE 84 3.749 6.741 -0.916 655 HG23 ILE 84 3HG2 ILE 84 2.307 5.792 -1.279 656 HD11 ILE 84 3HD1 ILE 84 1.453 2.164 -0.651 657 HD12 ILE 84 1HD1 ILE 84 1.254 3.878 -0.997 658 HD13 ILE 84 2HD1 ILE 84 1.472 3.332 0.669 659 H ASP 85 H ASP 85 5.248 6.025 2.145 660 HA ASP 85 HA ASP 85 6.171 8.531 1.464 661 HB2 ASP 85 2HB ASP 85 5.185 8.012 3.666 662 HB3 ASP 85 1HB ASP 85 6.600 7.062 4.100 663 H GLU 86 H GLU 86 8.083 5.661 2.236 664 HA GLU 86 HA GLU 86 10.670 6.725 2.205 665 HB2 GLU 86 2HB GLU 86 10.074 4.397 2.898 666 HB3 GLU 86 1HB GLU 86 9.690 4.010 1.232 667 HG2 GLU 86 2HG GLU 86 11.823 3.072 1.656 668 HG3 GLU 86 1HG GLU 86 12.081 4.482 0.624 669 H LEU 87 H LEU 87 8.701 5.371 -0.460 670 HA LEU 87 HA LEU 87 10.622 5.709 -2.523 671 HB2 LEU 87 2HB LEU 87 7.611 5.424 -2.835 672 HB3 LEU 87 1HB LEU 87 8.818 5.107 -4.076 673 HG LEU 87 HG LEU 87 8.328 3.498 -1.541 674 HD11 LEU 87 1HD1 LEU 87 7.977 2.705 -4.439 675 HD12 LEU 87 2HD1 LEU 87 6.690 3.105 -3.296 676 HD13 LEU 87 3HD1 LEU 87 7.691 1.682 -3.025 677 HD21 LEU 87 3HD2 LEU 87 10.737 3.524 -1.922 678 HD22 LEU 87 1HD2 LEU 87 10.513 3.028 -3.601 679 HD23 LEU 87 2HD2 LEU 87 10.082 1.932 -2.286 680 H VAL 88 H VAL 88 7.925 7.816 -1.462 681 HA VAL 88 HA VAL 88 8.268 9.716 -3.609 682 HB VAL 88 HB VAL 88 6.656 11.157 -2.478 683 HG11 VAL 88 1HG1 VAL 88 4.689 9.631 -2.335 684 HG12 VAL 88 2HG1 VAL 88 5.780 8.241 -2.312 685 HG13 VAL 88 3HG1 VAL 88 5.700 9.278 -3.738 686 HG21 VAL 88 3HG2 VAL 88 6.801 9.269 -0.099 687 HG22 VAL 88 1HG2 VAL 88 5.692 10.630 -0.257 688 HG23 VAL 88 2HG2 VAL 88 7.429 10.914 -0.145 689 H ALA 89 H ALA 89 9.594 9.333 -0.378 690 HA ALA 89 HA ALA 89 10.947 11.868 -0.263 691 HB1 ALA 89 3HB ALA 89 11.597 9.273 1.189 692 HB2 ALA 89 1HB ALA 89 10.509 10.537 1.770 693 HB3 ALA 89 2HB ALA 89 12.231 10.876 1.588 694 H ALA 90 H ALA 90 11.768 8.629 -1.483 695 HA ALA 90 HA ALA 90 14.429 8.964 -2.140 696 HB1 ALA 90 3HB ALA 90 12.384 7.328 -3.674 697 HB2 ALA 90 1HB ALA 90 13.217 6.815 -2.204 698 HB3 ALA 90 2HB ALA 90 14.134 7.097 -3.683 699 H LYS 91 H LYS 91 11.601 9.677 -4.262 700 HA LYS 91 HA LYS 91 13.222 10.753 -6.381 701 HB2 LYS 91 2HB LYS 91 11.096 11.576 -7.335 702 HB3 LYS 91 1HB LYS 91 10.999 9.878 -6.873 703 HG2 LYS 91 2HG LYS 91 9.669 10.366 -4.944 704 HG3 LYS 91 1HG LYS 91 9.982 12.096 -5.078 705 HD2 LYS 91 2HD LYS 91 8.693 12.132 -7.210 706 HD3 LYS 91 1HD LYS 91 8.319 10.418 -6.992 707 HE2 LYS 91 2HE LYS 91 7.049 10.892 -4.978 708 HE3 LYS 91 1HE LYS 91 7.573 12.576 -4.978 709 HZ1 LYS 91 3HZ LYS 91 6.341 12.952 -6.968 710 HZ2 LYS 91 1HZ LYS 91 5.327 12.273 -5.803 711 HZ3 LYS 91 2HZ LYS 91 5.906 11.323 -7.073 712 H GLY 92 H GLY 92 11.480 12.181 -3.615 713 HA2 GLY 92 2HA GLY 92 12.174 14.871 -4.068 714 HA3 GLY 92 1HA GLY 92 11.813 14.155 -2.502 715 H ALA 93 H ALA 93 14.159 12.247 -3.052 716 HA ALA 93 HA ALA 93 16.106 13.674 -1.512 717 HB1 ALA 93 3HB ALA 93 17.502 11.664 -1.719 718 HB2 ALA 93 1HB ALA 93 16.437 11.037 -2.991 719 HB3 ALA 93 2HB ALA 93 15.835 11.226 -1.344 720 H LEU 94 H LEU 94 15.634 13.192 -4.922 721 HA LEU 94 HA LEU 94 18.070 14.014 -6.025 722 HB2 LEU 94 2HB LEU 94 15.301 14.608 -7.125 723 HB3 LEU 94 1HB LEU 94 16.796 14.549 -8.050 724 HG LEU 94 HG LEU 94 15.461 12.162 -6.686 725 HD11 LEU 94 1HD1 LEU 94 15.631 12.838 -9.641 726 HD12 LEU 94 2HD1 LEU 94 14.187 12.932 -8.627 727 HD13 LEU 94 3HD1 LEU 94 14.938 11.370 -8.942 728 HD21 LEU 94 3HD2 LEU 94 17.934 12.238 -8.449 729 HD22 LEU 94 1HD2 LEU 94 17.138 10.780 -7.850 730 HD23 LEU 94 2HD2 LEU 94 17.891 11.898 -6.718 731 H GLU 95 H GLU 95 15.875 15.909 -4.199 732 HA GLU 95 HA GLU 95 16.292 18.524 -5.128 733 HB2 GLU 95 2HB GLU 95 14.656 17.604 -3.339 734 HB3 GLU 95 1HB GLU 95 15.982 17.723 -2.198 735 HG2 GLU 95 2HG GLU 95 14.778 20.057 -3.718 736 HG3 GLU 95 1HG GLU 95 14.335 19.590 -2.082 737 H HIS 96 H HIS 96 17.914 20.066 -4.730 738 HA HIS 96 HA HIS 96 20.542 18.962 -3.995 739 HB2 HIS 96 2HB HIS 96 19.843 21.469 -5.582 740 HB3 HIS 96 1HB HIS 96 21.471 20.860 -5.305 741 HD1 HIS 96 HD1 HIS 96 22.357 19.349 -7.078 742 HD2 HIS 96 HD2 HIS 96 18.208 19.573 -7.175 743 HE1 HIS 96 HE1 HIS 96 21.660 18.041 -9.105 744 HE2 HIS 96 HE2 HIS 96 19.147 18.017 -9.012 745 H HIS 97 H HIS 97 19.644 19.194 -1.726 746 HA HIS 97 HA HIS 97 19.899 19.987 0.362 747 HB2 HIS 97 2HB HIS 97 22.083 20.909 0.928 748 HB3 HIS 97 1HB HIS 97 22.269 19.687 -0.323 749 HD1 HIS 97 HD1 HIS 97 22.271 23.467 0.081 750 HD2 HIS 97 HD2 HIS 97 23.624 20.582 -2.584 751 HE1 HIS 97 HE1 HIS 97 23.673 24.703 -1.590 752 HE2 HIS 97 HE2 HIS 97 24.350 22.964 -3.271 753 H HIS 98 H HIS 98 18.321 21.860 -1.460 754 HA HIS 98 HA HIS 98 18.615 24.419 -0.001 755 HB2 HIS 98 2HB HIS 98 18.568 24.527 -2.505 756 HB3 HIS 98 1HB HIS 98 16.972 23.791 -2.504 757 HD1 HIS 98 HD1 HIS 98 15.092 25.396 -2.570 758 HD2 HIS 98 HD2 HIS 98 18.565 27.137 -1.096 759 HE1 HIS 98 HE1 HIS 98 14.550 27.830 -2.284 760 HE2 HIS 98 HE2 HIS 98 16.618 28.837 -1.252 761 H HIS 99 H HIS 99 17.661 23.864 1.945 762 HA HIS 99 HA HIS 99 15.182 22.434 2.179 763 HB2 HIS 99 2HB HIS 99 16.972 22.345 3.935 764 HB3 HIS 99 1HB HIS 99 16.653 24.032 4.328 765 HD1 HIS 99 HD1 HIS 99 15.214 24.256 6.323 766 HD2 HIS 99 HD2 HIS 99 14.313 20.798 4.208 767 HE1 HIS 99 HE1 HIS 99 13.432 23.100 7.655 768 HE2 HIS 99 HE2 HIS 99 12.989 20.956 6.419 769 H HIS 100 H HIS 100 13.846 23.668 0.817 770 HA HIS 100 HA HIS 100 12.154 25.543 2.119 771 HB2 HIS 100 2HB HIS 100 13.988 27.128 1.450 772 HB3 HIS 100 1HB HIS 100 13.800 26.638 -0.228 773 HD1 HIS 100 HD1 HIS 100 11.806 27.632 -1.530 774 HD2 HIS 100 HD2 HIS 100 11.971 28.871 2.433 775 HE1 HIS 100 HE1 HIS 100 10.218 29.570 -1.371 776 HE2 HIS 100 HE2 HIS 100 10.247 30.225 1.059 777 H HIS 101 H HIS 101 10.172 25.482 1.143 778 HA HIS 101 HA HIS 101 9.647 23.590 -0.943 779 HB2 HIS 101 2HB HIS 101 8.087 23.923 0.954 780 HB3 HIS 101 1HB HIS 101 7.792 25.585 0.443 781 HD1 HIS 101 HD1 HIS 101 7.075 22.016 -0.524 782 HD2 HIS 101 HD2 HIS 101 5.951 25.860 -1.642 783 HE1 HIS 101 HE1 HIS 101 5.084 21.724 -2.028 784 HE2 HIS 101 HE2 HIS 101 4.531 24.050 -2.824 Start of MODEL 2 1 H1 MET 1 1H MET 1 -4.686 18.866 4.923 2 H2 MET 1 2H MET 1 -4.416 19.752 6.338 3 H3 MET 1 3H MET 1 -4.865 18.125 6.427 4 HA MET 1 HA MET 1 -2.340 19.168 5.306 5 HB2 MET 1 2HB MET 1 -2.924 17.677 7.901 6 HB3 MET 1 1HB MET 1 -1.303 17.915 7.259 7 HG2 MET 1 2HG MET 1 -1.715 19.524 9.003 8 HG3 MET 1 1HG MET 1 -1.605 20.364 7.462 9 HE1 MET 1 3HE MET 1 -5.550 19.691 9.794 10 HE2 MET 1 1HE MET 1 -3.959 19.249 10.411 11 HE3 MET 1 2HE MET 1 -4.661 18.356 9.060 12 H THR 2 H THR 2 -1.258 17.768 4.011 13 HA THR 2 HA THR 2 -2.504 15.348 3.106 14 HB THR 2 HB THR 2 0.279 16.437 2.469 15 HG1 THR 2 HG1 THR 2 -2.275 16.867 1.320 16 HG21 THR 2 3HG2 THR 2 0.105 14.030 1.893 17 HG22 THR 2 1HG2 THR 2 0.155 15.012 0.425 18 HG23 THR 2 2HG2 THR 2 -1.376 14.336 0.987 19 H SER 3 H SER 3 -2.519 13.676 4.586 20 HA SER 3 HA SER 3 -0.003 12.661 5.691 21 HB2 SER 3 2HB SER 3 -2.037 12.376 7.056 22 HB3 SER 3 1HB SER 3 -2.839 11.522 5.739 23 HG SER 3 HG SER 3 -1.469 10.441 7.635 24 H THR 4 H THR 4 1.101 10.877 4.826 25 HA THR 4 HA THR 4 0.702 10.132 2.111 26 HB THR 4 HB THR 4 2.266 8.524 4.183 27 HG1 THR 4 HG1 THR 4 4.048 9.869 3.469 28 HG21 THR 4 3HG2 THR 4 2.606 8.815 1.161 29 HG22 THR 4 1HG2 THR 4 1.989 7.386 1.999 30 HG23 THR 4 2HG2 THR 4 3.662 7.890 2.227 31 H PHE 5 H PHE 5 -0.608 8.943 5.156 32 HA PHE 5 HA PHE 5 -1.721 6.502 4.095 33 HB2 PHE 5 2HB PHE 5 -1.415 6.534 6.493 34 HB3 PHE 5 1HB PHE 5 -2.319 8.036 6.663 35 HD1 PHE 5 HD1 PHE 5 -2.782 4.480 5.483 36 HD2 PHE 5 HD2 PHE 5 -4.615 7.915 7.268 37 HE1 PHE 5 HE1 PHE 5 -4.881 3.239 5.751 38 HE2 PHE 5 HE2 PHE 5 -6.710 6.650 7.537 39 HZ PHE 5 HZ PHE 5 -6.844 4.315 6.776 40 H ASP 6 H ASP 6 -2.830 9.841 4.464 41 HA ASP 6 HA ASP 6 -5.572 9.625 4.088 42 HB2 ASP 6 2HB ASP 6 -4.368 11.748 4.632 43 HB3 ASP 6 1HB ASP 6 -3.731 11.804 2.997 44 H ARG 7 H ARG 7 -3.043 10.017 1.640 45 HA ARG 7 HA ARG 7 -4.705 9.909 -0.642 46 HB2 ARG 7 2HB ARG 7 -1.751 9.201 -0.462 47 HB3 ARG 7 1HB ARG 7 -2.632 9.652 -1.921 48 HG2 ARG 7 2HG ARG 7 -1.970 11.441 0.453 49 HG3 ARG 7 1HG ARG 7 -1.293 11.530 -1.177 50 HD2 ARG 7 2HD ARG 7 -3.629 12.044 -2.014 51 HD3 ARG 7 1HD ARG 7 -4.146 12.165 -0.328 52 HE ARG 7 HE ARG 7 -1.924 13.862 -1.259 53 HH11 ARG 7 1HH1 ARG 7 -5.226 13.675 -0.123 54 HH12 ARG 7 2HH1 ARG 7 -5.440 15.394 -0.057 55 HH21 ARG 7 1HH2 ARG 7 -2.198 16.121 -1.160 56 HH22 ARG 7 2HH2 ARG 7 -3.714 16.786 -0.635 57 H VAL 8 H VAL 8 -2.736 7.385 0.951 58 HA VAL 8 HA VAL 8 -3.305 5.218 -0.754 59 HB VAL 8 HB VAL 8 -2.597 5.226 2.215 60 HG11 VAL 8 1HG1 VAL 8 -2.543 2.862 0.285 61 HG12 VAL 8 2HG1 VAL 8 -3.617 3.045 1.674 62 HG13 VAL 8 3HG1 VAL 8 -1.883 2.858 1.924 63 HG21 VAL 8 3HG2 VAL 8 -0.905 6.259 0.748 64 HG22 VAL 8 1HG2 VAL 8 -0.861 4.804 -0.248 65 HG23 VAL 8 2HG2 VAL 8 -0.304 4.747 1.428 66 H ALA 9 H ALA 9 -5.130 6.504 1.984 67 HA ALA 9 HA ALA 9 -6.979 4.395 2.392 68 HB1 ALA 9 3HB ALA 9 -6.572 6.130 4.110 69 HB2 ALA 9 1HB ALA 9 -8.287 6.047 3.694 70 HB3 ALA 9 2HB ALA 9 -7.286 7.355 3.056 71 H THR 10 H THR 10 -7.116 7.390 0.479 72 HA THR 10 HA THR 10 -9.584 7.128 -0.785 73 HB THR 10 HB THR 10 -6.976 8.463 -1.481 74 HG1 THR 10 HG1 THR 10 -8.306 10.315 -1.255 75 HG21 THR 10 3HG2 THR 10 -7.756 7.842 -3.716 76 HG22 THR 10 1HG2 THR 10 -8.008 9.577 -3.464 77 HG23 THR 10 2HG2 THR 10 -9.370 8.462 -3.356 78 H ILE 11 H ILE 11 -6.433 5.786 -1.707 79 HA ILE 11 HA ILE 11 -7.198 4.837 -4.271 80 HB ILE 11 HB ILE 11 -4.830 4.173 -2.473 81 HG12 ILE 11 2HG1 ILE 11 -4.965 5.929 -4.972 82 HG13 ILE 11 1HG1 ILE 11 -5.142 6.556 -3.340 83 HG21 ILE 11 1HG2 ILE 11 -5.102 2.282 -4.004 84 HG22 ILE 11 2HG2 ILE 11 -3.696 3.234 -4.479 85 HG23 ILE 11 3HG2 ILE 11 -5.204 3.377 -5.382 86 HD11 ILE 11 3HD1 ILE 11 -2.694 5.251 -4.505 87 HD12 ILE 11 1HD1 ILE 11 -2.857 5.792 -2.831 88 HD13 ILE 11 2HD1 ILE 11 -2.931 6.961 -4.148 89 H ILE 12 H ILE 12 -6.683 3.106 -1.197 90 HA ILE 12 HA ILE 12 -7.466 0.541 -2.053 91 HB ILE 12 HB ILE 12 -7.444 1.779 0.732 92 HG12 ILE 12 2HG1 ILE 12 -5.453 -0.016 -0.728 93 HG13 ILE 12 1HG1 ILE 12 -5.238 1.696 -0.379 94 HG21 ILE 12 1HG2 ILE 12 -8.973 -0.145 0.788 95 HG22 ILE 12 2HG2 ILE 12 -7.488 -0.522 1.660 96 HG23 ILE 12 3HG2 ILE 12 -7.744 -1.170 0.039 97 HD11 ILE 12 3HD1 ILE 12 -3.922 0.326 1.098 98 HD12 ILE 12 1HD1 ILE 12 -5.356 -0.541 1.634 99 HD13 ILE 12 2HD1 ILE 12 -5.167 1.172 2.015 100 H ALA 13 H ALA 13 -9.311 3.234 -0.695 101 HA ALA 13 HA ALA 13 -11.819 2.079 -0.320 102 HB1 ALA 13 3HB ALA 13 -11.237 4.899 -1.303 103 HB2 ALA 13 1HB ALA 13 -11.254 4.378 0.384 104 HB3 ALA 13 2HB ALA 13 -12.743 4.353 -0.560 105 H GLU 14 H GLU 14 -10.588 3.702 -3.252 106 HA GLU 14 HA GLU 14 -12.997 3.209 -4.746 107 HB2 GLU 14 2HB GLU 14 -10.324 4.342 -5.675 108 HB3 GLU 14 1HB GLU 14 -11.853 4.425 -6.558 109 HG2 GLU 14 2HG GLU 14 -11.237 5.744 -3.886 110 HG3 GLU 14 1HG GLU 14 -11.343 6.556 -5.447 111 H THR 15 H THR 15 -9.833 1.638 -4.538 112 HA THR 15 HA THR 15 -10.141 -0.035 -6.836 113 HB THR 15 HB THR 15 -8.339 -0.243 -4.394 114 HG1 THR 15 HG1 THR 15 -7.414 0.195 -7.009 115 HG21 THR 15 3HG2 THR 15 -8.320 -2.001 -6.871 116 HG22 THR 15 1HG2 THR 15 -8.613 -2.530 -5.214 117 HG23 THR 15 2HG2 THR 15 -7.018 -1.937 -5.687 118 H CYS 16 H CYS 16 -10.341 -0.765 -3.328 119 HA CYS 16 HA CYS 16 -11.340 -3.414 -3.829 120 HB2 CYS 16 2HB CYS 16 -10.836 -1.991 -1.202 121 HB3 CYS 16 1HB CYS 16 -11.033 -3.732 -1.431 122 HG CYS 16 HG CYS 16 -8.707 -3.493 -3.339 123 H ASP 17 H ASP 17 -13.007 -0.530 -3.723 124 HA ASP 17 HA ASP 17 -15.095 0.174 -3.327 125 HB2 ASP 17 2HB ASP 17 -15.559 -1.821 -4.851 126 HB3 ASP 17 1HB ASP 17 -15.929 -2.757 -3.413 127 H ILE 18 H ILE 18 -13.944 0.572 -1.219 128 HA ILE 18 HA ILE 18 -15.465 -0.482 1.092 129 HB ILE 18 HB ILE 18 -12.492 0.275 1.065 130 HG12 ILE 18 2HG1 ILE 18 -13.748 -2.487 1.437 131 HG13 ILE 18 1HG1 ILE 18 -12.891 -1.948 -0.003 132 HG21 ILE 18 1HG2 ILE 18 -12.449 -0.491 3.433 133 HG22 ILE 18 2HG2 ILE 18 -14.191 -0.759 3.379 134 HG23 ILE 18 3HG2 ILE 18 -13.542 0.875 3.213 135 HD11 ILE 18 3HD1 ILE 18 -11.514 -3.394 1.387 136 HD12 ILE 18 1HD1 ILE 18 -11.680 -2.284 2.746 137 HD13 ILE 18 2HD1 ILE 18 -10.820 -1.776 1.288 138 HA PRO 19 HA PRO 19 -16.328 4.010 1.854 139 HB2 PRO 19 2HB PRO 19 -16.524 3.620 4.694 140 HB3 PRO 19 1HB PRO 19 -17.852 3.724 3.537 141 HG2 PRO 19 2HG PRO 19 -16.546 1.313 4.727 142 HG3 PRO 19 1HG PRO 19 -18.224 1.538 4.202 143 HD2 PRO 19 2HD PRO 19 -16.481 0.065 2.762 144 HD3 PRO 19 1HD PRO 19 -17.732 1.050 1.966 145 H ARG 20 H ARG 20 -14.815 5.452 1.922 146 HA ARG 20 HA ARG 20 -12.086 4.993 2.351 147 HB2 ARG 20 2HB ARG 20 -13.437 6.753 0.920 148 HB3 ARG 20 1HB ARG 20 -13.359 7.757 2.358 149 HG2 ARG 20 2HG ARG 20 -10.921 6.661 0.920 150 HG3 ARG 20 1HG ARG 20 -11.649 8.220 0.549 151 HD2 ARG 20 2HD ARG 20 -11.252 8.760 3.064 152 HD3 ARG 20 1HD ARG 20 -10.157 7.368 3.031 153 HE ARG 20 HE ARG 20 -9.370 8.794 0.883 154 HH11 ARG 20 1HH1 ARG 20 -9.550 9.547 4.300 155 HH12 ARG 20 2HH1 ARG 20 -8.524 10.936 4.157 156 HH21 ARG 20 1HH2 ARG 20 -8.106 10.614 0.712 157 HH22 ARG 20 2HH2 ARG 20 -7.728 11.545 2.120 158 H GLU 21 H GLU 21 -14.553 6.520 4.368 159 HA GLU 21 HA GLU 21 -12.805 7.637 6.329 160 HB2 GLU 21 2HB GLU 21 -14.887 8.159 7.564 161 HB3 GLU 21 1HB GLU 21 -14.984 8.625 5.867 162 HG2 GLU 21 2HG GLU 21 -16.327 6.615 5.387 163 HG3 GLU 21 1HG GLU 21 -16.233 6.136 7.083 164 H THR 22 H THR 22 -14.385 4.488 6.053 165 HA THR 22 HA THR 22 -14.044 3.786 8.855 166 HB THR 22 HB THR 22 -14.861 1.527 8.205 167 HG1 THR 22 HG1 THR 22 -14.121 2.377 5.727 168 HG21 THR 22 3HG2 THR 22 -16.532 3.761 6.983 169 HG22 THR 22 1HG2 THR 22 -16.548 3.269 8.679 170 HG23 THR 22 2HG2 THR 22 -17.122 2.160 7.434 171 H ILE 23 H ILE 23 -12.247 3.434 5.909 172 HA ILE 23 HA ILE 23 -10.435 1.408 6.508 173 HB ILE 23 HB ILE 23 -10.055 3.953 4.882 174 HG12 ILE 23 2HG1 ILE 23 -10.576 1.061 4.046 175 HG13 ILE 23 1HG1 ILE 23 -11.758 2.366 4.024 176 HG21 ILE 23 1HG2 ILE 23 -8.053 2.913 3.855 177 HG22 ILE 23 2HG2 ILE 23 -8.163 1.580 5.008 178 HG23 ILE 23 3HG2 ILE 23 -7.825 3.213 5.580 179 HD11 ILE 23 3HD1 ILE 23 -10.449 3.506 2.296 180 HD12 ILE 23 1HD1 ILE 23 -10.925 1.876 1.814 181 HD13 ILE 23 2HD1 ILE 23 -9.271 2.189 2.331 182 H THR 24 H THR 24 -9.246 1.204 8.295 183 HA THR 24 HA THR 24 -8.229 3.533 9.783 184 HB THR 24 HB THR 24 -7.748 1.906 11.596 185 HG1 THR 24 HG1 THR 24 -8.729 -0.010 9.722 186 HG21 THR 24 3HG2 THR 24 -10.018 2.873 11.507 187 HG22 THR 24 1HG2 THR 24 -10.062 1.219 12.129 188 HG23 THR 24 2HG2 THR 24 -10.543 1.551 10.462 189 HA PRO 25 HA PRO 25 -4.002 2.816 8.260 190 HB2 PRO 25 2HB PRO 25 -2.551 3.792 10.415 191 HB3 PRO 25 1HB PRO 25 -3.313 4.823 9.194 192 HG2 PRO 25 2HG PRO 25 -4.330 4.038 11.922 193 HG3 PRO 25 1HG PRO 25 -4.331 5.637 11.148 194 HD2 PRO 25 2HD PRO 25 -6.558 4.117 11.219 195 HD3 PRO 25 1HD PRO 25 -6.184 5.119 9.798 196 H GLU 26 H GLU 26 -5.124 1.607 11.356 197 HA GLU 26 HA GLU 26 -2.860 -0.127 11.847 198 HB2 GLU 26 2HB GLU 26 -4.109 -0.859 13.837 199 HB3 GLU 26 1HB GLU 26 -4.041 0.900 13.747 200 HG2 GLU 26 2HG GLU 26 -6.359 0.948 12.907 201 HG3 GLU 26 1HG GLU 26 -6.424 -0.813 12.957 202 H SER 27 H SER 27 -5.629 -0.377 9.865 203 HA SER 27 HA SER 27 -6.161 -3.193 10.200 204 HB2 SER 27 2HB SER 27 -7.588 -2.990 8.188 205 HB3 SER 27 1HB SER 27 -7.921 -1.688 9.325 206 HG SER 27 HG SER 27 -6.066 -0.761 7.744 207 H HIS 28 H HIS 28 -5.383 -4.876 9.089 208 HA HIS 28 HA HIS 28 -3.154 -4.588 7.214 209 HB2 HIS 28 2HB HIS 28 -3.075 -6.272 9.086 210 HB3 HIS 28 1HB HIS 28 -4.450 -7.100 8.369 211 HD2 HIS 28 HD2 HIS 28 -0.697 -7.204 8.294 212 HE1 HIS 28 HE1 HIS 28 -2.001 -9.238 4.836 213 HE2 HIS 28 HE2 HIS 28 -0.119 -8.949 6.485 214 H ALA 29 H ALA 29 -3.467 -4.732 5.057 215 HA ALA 29 HA ALA 29 -5.806 -4.596 3.690 216 HB1 ALA 29 3HB ALA 29 -4.554 -5.234 1.676 217 HB2 ALA 29 1HB ALA 29 -3.258 -5.903 2.673 218 HB3 ALA 29 2HB ALA 29 -3.589 -4.169 2.700 219 H ILE 30 H ILE 30 -3.940 -7.654 3.983 220 HA ILE 30 HA ILE 30 -5.991 -9.177 2.661 221 HB ILE 30 HB ILE 30 -3.475 -10.130 4.084 222 HG12 ILE 30 2HG1 ILE 30 -4.021 -9.591 1.127 223 HG13 ILE 30 1HG1 ILE 30 -2.966 -8.642 2.172 224 HG21 ILE 30 1HG2 ILE 30 -5.298 -11.663 2.187 225 HG22 ILE 30 2HG2 ILE 30 -5.127 -11.956 3.919 226 HG23 ILE 30 3HG2 ILE 30 -3.765 -12.250 2.841 227 HD11 ILE 30 3HD1 ILE 30 -1.675 -10.046 0.719 228 HD12 ILE 30 1HD1 ILE 30 -2.527 -11.489 1.269 229 HD13 ILE 30 2HD1 ILE 30 -1.477 -10.603 2.379 230 H ASP 31 H ASP 31 -4.845 -8.899 6.031 231 HA ASP 31 HA ASP 31 -6.480 -11.024 7.048 232 HB2 ASP 31 2HB ASP 31 -4.385 -10.416 8.176 233 HB3 ASP 31 1HB ASP 31 -4.999 -8.804 8.516 234 H ASP 32 H ASP 32 -6.655 -7.489 7.717 235 HA ASP 32 HA ASP 32 -9.232 -7.715 8.967 236 HB2 ASP 32 2HB ASP 32 -7.535 -6.036 9.703 237 HB3 ASP 32 1HB ASP 32 -7.681 -5.213 8.163 238 H LEU 33 H LEU 33 -8.134 -5.909 6.077 239 HA LEU 33 HA LEU 33 -10.797 -5.209 5.282 240 HB2 LEU 33 2HB LEU 33 -8.211 -4.946 3.723 241 HB3 LEU 33 1HB LEU 33 -9.726 -4.143 3.344 242 HG LEU 33 HG LEU 33 -8.025 -3.625 5.819 243 HD11 LEU 33 1HD1 LEU 33 -7.538 -1.460 4.779 244 HD12 LEU 33 2HD1 LEU 33 -8.448 -1.929 3.339 245 HD13 LEU 33 3HD1 LEU 33 -6.967 -2.791 3.779 246 HD21 LEU 33 3HD2 LEU 33 -10.564 -2.224 4.895 247 HD22 LEU 33 1HD2 LEU 33 -9.540 -1.722 6.245 248 HD23 LEU 33 2HD2 LEU 33 -10.400 -3.258 6.319 249 H GLY 34 H GLY 34 -8.936 -8.026 4.749 250 HA2 GLY 34 2HA GLY 34 -9.432 -9.975 3.653 251 HA3 GLY 34 1HA GLY 34 -11.014 -9.311 3.280 252 H ILE 35 H ILE 35 -8.232 -7.546 2.258 253 HA ILE 35 HA ILE 35 -8.900 -7.674 -0.514 254 HB ILE 35 HB ILE 35 -6.367 -6.596 0.819 255 HG12 ILE 35 2HG1 ILE 35 -8.875 -5.083 -0.047 256 HG13 ILE 35 1HG1 ILE 35 -8.499 -5.514 1.617 257 HG21 ILE 35 1HG2 ILE 35 -6.005 -6.992 -1.596 258 HG22 ILE 35 2HG2 ILE 35 -6.034 -5.263 -1.248 259 HG23 ILE 35 3HG2 ILE 35 -7.440 -6.037 -1.979 260 HD11 ILE 35 3HD1 ILE 35 -7.992 -3.210 1.206 261 HD12 ILE 35 1HD1 ILE 35 -6.948 -3.632 -0.148 262 HD13 ILE 35 2HD1 ILE 35 -6.492 -4.089 1.496 263 H ASP 36 H ASP 36 -8.183 -9.093 -2.031 264 HA ASP 36 HA ASP 36 -6.491 -11.334 -1.398 265 HB2 ASP 36 2HB ASP 36 -8.420 -11.115 -3.204 266 HB3 ASP 36 1HB ASP 36 -7.182 -10.429 -4.232 267 H SER 37 H SER 37 -4.289 -11.681 -2.213 268 HA SER 37 HA SER 37 -2.642 -9.362 -2.336 269 HB2 SER 37 2HB SER 37 -1.856 -11.557 -1.441 270 HB3 SER 37 1HB SER 37 -1.943 -12.245 -3.061 271 HG SER 37 HG SER 37 -0.469 -9.991 -3.130 272 H LEU 38 H LEU 38 -4.454 -11.078 -4.690 273 HA LEU 38 HA LEU 38 -3.022 -10.133 -7.030 274 HB2 LEU 38 2HB LEU 38 -5.748 -11.490 -6.805 275 HB3 LEU 38 1HB LEU 38 -4.853 -11.209 -8.296 276 HG LEU 38 HG LEU 38 -4.027 -13.084 -6.031 277 HD11 LEU 38 1HD1 LEU 38 -4.913 -13.686 -8.875 278 HD12 LEU 38 2HD1 LEU 38 -5.849 -13.978 -7.408 279 HD13 LEU 38 3HD1 LEU 38 -4.361 -14.878 -7.690 280 HD21 LEU 38 3HD2 LEU 38 -2.578 -12.454 -8.629 281 HD22 LEU 38 1HD2 LEU 38 -2.134 -13.726 -7.486 282 HD23 LEU 38 2HD2 LEU 38 -2.045 -12.037 -6.996 283 H ASP 39 H ASP 39 -5.807 -9.209 -5.072 284 HA ASP 39 HA ASP 39 -6.767 -7.149 -6.867 285 HB2 ASP 39 2HB ASP 39 -8.206 -8.395 -5.130 286 HB3 ASP 39 1HB ASP 39 -7.405 -7.440 -3.891 287 H PHE 40 H PHE 40 -4.540 -7.408 -4.205 288 HA PHE 40 HA PHE 40 -4.183 -4.657 -3.619 289 HB2 PHE 40 2HB PHE 40 -3.537 -6.706 -2.178 290 HB3 PHE 40 1HB PHE 40 -2.092 -6.819 -3.170 291 HD1 PHE 40 HD2 PHE 40 -3.845 -4.829 -0.602 292 HD2 PHE 40 HD1 PHE 40 -0.303 -5.167 -2.937 293 HE1 PHE 40 HE2 PHE 40 -2.724 -3.189 0.846 294 HE2 PHE 40 HE1 PHE 40 0.819 -3.535 -1.490 295 HZ PHE 40 HZ PHE 40 -0.394 -2.541 0.405 296 H LEU 41 H LEU 41 -3.025 -6.693 -6.197 297 HA LEU 41 HA LEU 41 -0.755 -5.273 -7.098 298 HB2 LEU 41 2HB LEU 41 -2.833 -6.722 -8.793 299 HB3 LEU 41 1HB LEU 41 -1.214 -6.272 -9.315 300 HG LEU 41 HG LEU 41 -1.875 -8.321 -7.155 301 HD11 LEU 41 1HD1 LEU 41 -1.007 -9.993 -8.738 302 HD12 LEU 41 2HD1 LEU 41 -0.808 -8.736 -9.964 303 HD13 LEU 41 3HD1 LEU 41 -2.422 -9.155 -9.382 304 HD21 LEU 41 3HD2 LEU 41 0.530 -8.880 -7.172 305 HD22 LEU 41 1HD2 LEU 41 0.245 -7.233 -6.629 306 HD23 LEU 41 2HD2 LEU 41 0.841 -7.526 -8.263 307 H ASP 42 H ASP 42 -4.223 -4.793 -7.677 308 HA ASP 42 HA ASP 42 -4.008 -2.636 -9.531 309 HB2 ASP 42 2HB ASP 42 -6.049 -4.112 -9.248 310 HB3 ASP 42 1HB ASP 42 -6.390 -3.286 -7.733 311 H ILE 43 H ILE 43 -4.289 -2.831 -6.000 312 HA ILE 43 HA ILE 43 -4.639 -0.086 -5.406 313 HB ILE 43 HB ILE 43 -3.226 -2.241 -3.762 314 HG12 ILE 43 2HG1 ILE 43 -6.120 -1.260 -3.687 315 HG13 ILE 43 1HG1 ILE 43 -5.569 -2.839 -4.235 316 HG21 ILE 43 1HG2 ILE 43 -3.600 -0.810 -1.786 317 HG22 ILE 43 2HG2 ILE 43 -4.269 0.457 -2.819 318 HG23 ILE 43 3HG2 ILE 43 -2.574 -0.006 -2.972 319 HD11 ILE 43 3HD1 ILE 43 -6.551 -3.003 -2.049 320 HD12 ILE 43 1HD1 ILE 43 -5.459 -1.773 -1.419 321 HD13 ILE 43 2HD1 ILE 43 -4.825 -3.337 -1.936 322 H ALA 44 H ALA 44 -1.734 -2.100 -5.717 323 HA ALA 44 HA ALA 44 0.212 -0.118 -5.147 324 HB1 ALA 44 3HB ALA 44 0.517 -2.700 -6.715 325 HB2 ALA 44 1HB ALA 44 0.669 -2.529 -4.965 326 HB3 ALA 44 2HB ALA 44 1.835 -1.743 -6.033 327 H PHE 45 H PHE 45 -1.370 -1.146 -8.100 328 HA PHE 45 HA PHE 45 0.244 0.282 -9.964 329 HB2 PHE 45 2HB PHE 45 -1.299 -1.650 -10.504 330 HB3 PHE 45 1HB PHE 45 -2.667 -0.568 -10.301 331 HD1 PHE 45 HD2 PHE 45 0.294 -1.331 -12.408 332 HD2 PHE 45 HD1 PHE 45 -3.265 1.016 -12.060 333 HE1 PHE 45 HE2 PHE 45 0.481 -0.676 -14.775 334 HE2 PHE 45 HE1 PHE 45 -3.065 1.664 -14.423 335 HZ PHE 45 HZ PHE 45 -1.198 0.815 -15.782 336 H ALA 46 H ALA 46 -2.757 1.072 -8.249 337 HA ALA 46 HA ALA 46 -3.154 3.625 -9.527 338 HB1 ALA 46 3HB ALA 46 -4.969 3.917 -7.896 339 HB2 ALA 46 1HB ALA 46 -4.429 2.477 -7.022 340 HB3 ALA 46 2HB ALA 46 -5.042 2.335 -8.670 341 H ILE 47 H ILE 47 -1.502 2.525 -6.627 342 HA ILE 47 HA ILE 47 -0.924 5.080 -5.464 343 HB ILE 47 HB ILE 47 0.410 2.352 -5.180 344 HG12 ILE 47 2HG1 ILE 47 -1.271 3.905 -3.161 345 HG13 ILE 47 1HG1 ILE 47 -1.919 2.653 -4.213 346 HG21 ILE 47 1HG2 ILE 47 1.683 3.234 -3.251 347 HG22 ILE 47 2HG2 ILE 47 1.085 4.854 -3.599 348 HG23 ILE 47 3HG2 ILE 47 2.144 4.039 -4.752 349 HD11 ILE 47 3HD1 ILE 47 -0.518 0.990 -3.126 350 HD12 ILE 47 1HD1 ILE 47 -1.505 1.849 -1.947 351 HD13 ILE 47 2HD1 ILE 47 0.205 2.236 -2.110 352 H ASP 48 H ASP 48 0.736 2.907 -7.674 353 HA ASP 48 HA ASP 48 3.161 4.206 -8.089 354 HB2 ASP 48 2HB ASP 48 2.518 1.898 -8.848 355 HB3 ASP 48 1HB ASP 48 1.498 2.606 -10.090 356 H LYS 49 H LYS 49 0.012 4.673 -9.646 357 HA LYS 49 HA LYS 49 0.840 6.714 -11.496 358 HB2 LYS 49 2HB LYS 49 -1.909 5.788 -10.570 359 HB3 LYS 49 1HB LYS 49 -1.663 7.004 -11.821 360 HG2 LYS 49 2HG LYS 49 -0.568 5.360 -13.253 361 HG3 LYS 49 1HG LYS 49 -0.675 4.138 -11.983 362 HD2 LYS 49 2HD LYS 49 -2.441 3.791 -13.673 363 HD3 LYS 49 1HD LYS 49 -3.145 4.197 -12.104 364 HE2 LYS 49 2HE LYS 49 -4.319 5.385 -13.899 365 HE3 LYS 49 1HE LYS 49 -3.471 6.536 -12.870 366 HZ1 LYS 49 3HZ LYS 49 -1.734 6.690 -14.527 367 HZ2 LYS 49 1HZ LYS 49 -3.234 7.043 -15.223 368 HZ3 LYS 49 2HZ LYS 49 -2.510 5.544 -15.494 369 H ALA 50 H ALA 50 -0.919 6.707 -8.389 370 HA ALA 50 HA ALA 50 -1.790 9.404 -8.439 371 HB1 ALA 50 3HB ALA 50 -1.448 7.568 -6.042 372 HB2 ALA 50 1HB ALA 50 -2.887 7.690 -7.058 373 HB3 ALA 50 2HB ALA 50 -2.389 9.064 -6.068 374 H PHE 51 H PHE 51 0.865 7.867 -6.651 375 HA PHE 51 HA PHE 51 1.945 10.381 -5.683 376 HB2 PHE 51 2HB PHE 51 2.932 7.511 -5.433 377 HB3 PHE 51 1HB PHE 51 3.728 8.891 -4.689 378 HD1 PHE 51 HD1 PHE 51 0.734 6.722 -4.565 379 HD2 PHE 51 HD2 PHE 51 2.792 9.969 -2.702 380 HE1 PHE 51 HE1 PHE 51 -0.659 6.463 -2.553 381 HE2 PHE 51 HE2 PHE 51 1.399 9.697 -0.694 382 HZ PHE 51 HZ PHE 51 -0.320 7.942 -0.614 383 H GLY 52 H GLY 52 2.392 8.292 -8.436 384 HA2 GLY 52 2HA GLY 52 3.730 8.501 -10.308 385 HA3 GLY 52 1HA GLY 52 4.335 10.025 -9.672 386 H ILE 53 H ILE 53 4.458 6.914 -8.043 387 HA ILE 53 HA ILE 53 7.438 6.928 -8.085 388 HB ILE 53 HB ILE 53 7.322 5.670 -5.919 389 HG12 ILE 53 2HG1 ILE 53 4.329 6.341 -5.944 390 HG13 ILE 53 1HG1 ILE 53 4.993 4.733 -6.213 391 HG21 ILE 53 1HG2 ILE 53 5.970 8.385 -5.823 392 HG22 ILE 53 2HG2 ILE 53 7.709 8.093 -5.910 393 HG23 ILE 53 3HG2 ILE 53 6.803 7.589 -4.485 394 HD11 ILE 53 3HD1 ILE 53 4.144 4.970 -3.963 395 HD12 ILE 53 1HD1 ILE 53 5.209 6.344 -3.677 396 HD13 ILE 53 2HD1 ILE 53 5.891 4.737 -3.937 397 H LYS 54 H LYS 54 8.450 4.822 -8.131 398 HA LYS 54 HA LYS 54 6.876 2.687 -9.397 399 HB2 LYS 54 2HB LYS 54 9.114 3.218 -10.342 400 HB3 LYS 54 1HB LYS 54 9.863 2.890 -8.783 401 HG2 LYS 54 2HG LYS 54 8.983 0.504 -8.988 402 HG3 LYS 54 1HG LYS 54 8.517 0.905 -10.642 403 HD2 LYS 54 2HD LYS 54 10.684 -0.263 -10.604 404 HD3 LYS 54 1HD LYS 54 10.873 1.386 -11.208 405 HE2 LYS 54 2HE LYS 54 11.767 2.117 -9.046 406 HE3 LYS 54 1HE LYS 54 11.465 0.525 -8.346 407 HZ1 LYS 54 3HZ LYS 54 13.322 1.053 -10.593 408 HZ2 LYS 54 1HZ LYS 54 13.094 -0.420 -9.798 409 HZ3 LYS 54 2HZ LYS 54 13.785 0.889 -8.979 410 H LEU 55 H LEU 55 5.602 1.824 -7.754 411 HA LEU 55 HA LEU 55 6.829 0.990 -5.222 412 HB2 LEU 55 2HB LEU 55 4.507 2.006 -5.345 413 HB3 LEU 55 1HB LEU 55 3.959 0.567 -6.186 414 HG LEU 55 HG LEU 55 5.204 0.365 -3.413 415 HD11 LEU 55 1HD1 LEU 55 2.956 0.450 -2.410 416 HD12 LEU 55 2HD1 LEU 55 2.272 0.885 -3.979 417 HD13 LEU 55 3HD1 LEU 55 3.396 1.979 -3.170 418 HD21 LEU 55 3HD2 LEU 55 4.922 -1.763 -4.588 419 HD22 LEU 55 1HD2 LEU 55 3.212 -1.424 -4.856 420 HD23 LEU 55 2HD2 LEU 55 3.822 -1.673 -3.216 421 HA PRO 56 HA PRO 56 7.538 -2.912 -7.528 422 HB2 PRO 56 2HB PRO 56 9.717 -3.800 -6.198 423 HB3 PRO 56 1HB PRO 56 9.821 -2.418 -7.301 424 HG2 PRO 56 2HG PRO 56 9.716 -2.451 -4.295 425 HG3 PRO 56 1HG PRO 56 10.664 -1.402 -5.368 426 HD2 PRO 56 2HD PRO 56 8.215 -0.718 -4.154 427 HD3 PRO 56 1HD PRO 56 8.947 0.127 -5.533 428 H LEU 57 H LEU 57 5.414 -3.523 -6.634 429 HA LEU 57 HA LEU 57 5.230 -4.869 -4.091 430 HB2 LEU 57 2HB LEU 57 3.281 -3.715 -5.099 431 HB3 LEU 57 1HB LEU 57 3.271 -4.878 -6.416 432 HG LEU 57 HG LEU 57 2.809 -6.710 -4.757 433 HD11 LEU 57 1HD1 LEU 57 2.523 -4.459 -2.735 434 HD12 LEU 57 2HD1 LEU 57 3.776 -5.706 -2.733 435 HD13 LEU 57 3HD1 LEU 57 2.089 -6.148 -2.469 436 HD21 LEU 57 3HD2 LEU 57 0.780 -4.470 -4.685 437 HD22 LEU 57 1HD2 LEU 57 0.470 -6.186 -4.411 438 HD23 LEU 57 2HD2 LEU 57 0.978 -5.627 -6.004 439 H GLU 58 H GLU 58 5.780 -5.796 -7.419 440 HA GLU 58 HA GLU 58 5.555 -8.594 -7.278 441 HB2 GLU 58 2HB GLU 58 7.120 -8.609 -9.205 442 HB3 GLU 58 1HB GLU 58 5.850 -7.412 -9.400 443 HG2 GLU 58 2HG GLU 58 7.416 -5.634 -8.690 444 HG3 GLU 58 1HG GLU 58 8.696 -6.831 -8.528 445 H LYS 59 H LYS 59 8.057 -6.423 -6.153 446 HA LYS 59 HA LYS 59 9.878 -8.527 -5.347 447 HB2 LYS 59 2HB LYS 59 10.900 -6.441 -6.034 448 HB3 LYS 59 1HB LYS 59 9.915 -5.509 -4.906 449 HG2 LYS 59 2HG LYS 59 11.048 -6.596 -3.004 450 HG3 LYS 59 1HG LYS 59 12.015 -7.560 -4.122 451 HD2 LYS 59 2HD LYS 59 13.169 -5.590 -4.921 452 HD3 LYS 59 1HD LYS 59 12.088 -4.527 -4.010 453 HE2 LYS 59 2HE LYS 59 14.291 -4.821 -2.898 454 HE3 LYS 59 1HE LYS 59 12.951 -5.381 -1.900 455 HZ1 LYS 59 3HZ LYS 59 14.768 -6.934 -1.811 456 HZ2 LYS 59 1HZ LYS 59 14.786 -7.084 -3.496 457 HZ3 LYS 59 2HZ LYS 59 13.467 -7.662 -2.607 458 H TRP 60 H TRP 60 7.643 -6.221 -3.721 459 HA TRP 60 HA TRP 60 8.403 -6.805 -1.073 460 HB2 TRP 60 2HB TRP 60 5.820 -5.601 -2.128 461 HB3 TRP 60 1HB TRP 60 6.211 -5.706 -0.414 462 HD1 TRP 60 HD1 TRP 60 9.398 -4.854 -2.013 463 HE1 TRP 60 HE1 TRP 60 9.819 -2.324 -1.976 464 HE3 TRP 60 HE3 TRP 60 4.697 -3.230 -0.763 465 HZ2 TRP 60 HZ2 TRP 60 8.409 0.023 -1.483 466 HZ3 TRP 60 HZ3 TRP 60 4.334 -0.805 -0.513 467 HH2 TRP 60 HH2 TRP 60 6.160 0.787 -0.863 468 H THR 61 H THR 61 5.736 -8.110 -3.026 469 HA THR 61 HA THR 61 4.736 -10.016 -1.277 470 HB THR 61 HB THR 61 4.931 -10.134 -4.332 471 HG1 THR 61 HG1 THR 61 3.603 -8.493 -4.077 472 HG21 THR 61 3HG2 THR 61 2.981 -11.656 -4.213 473 HG22 THR 61 1HG2 THR 61 3.056 -11.633 -2.450 474 HG23 THR 61 2HG2 THR 61 4.370 -12.357 -3.380 475 H GLN 62 H GLN 62 7.469 -10.219 -3.567 476 HA GLN 62 HA GLN 62 8.055 -12.967 -3.227 477 HB2 GLN 62 2HB GLN 62 8.776 -11.670 -5.207 478 HB3 GLN 62 1HB GLN 62 9.839 -10.698 -4.208 479 HG2 GLN 62 2HG GLN 62 11.095 -12.360 -5.488 480 HG3 GLN 62 1HG GLN 62 11.254 -12.650 -3.757 481 HE21 GLN 62 1HE2 GLN 62 10.408 -14.549 -2.884 482 HE22 GLN 62 2HE2 GLN 62 9.816 -15.854 -3.850 483 H GLU 63 H GLU 63 9.110 -10.084 -1.461 484 HA GLU 63 HA GLU 63 11.163 -11.180 0.083 485 HB2 GLU 63 2HB GLU 63 9.177 -9.039 0.968 486 HB3 GLU 63 1HB GLU 63 10.762 -9.345 1.680 487 HG2 GLU 63 2HG GLU 63 10.140 -8.204 -1.057 488 HG3 GLU 63 1HG GLU 63 10.893 -7.381 0.306 489 H VAL 64 H VAL 64 7.662 -10.952 0.692 490 HA VAL 64 HA VAL 64 7.569 -12.311 3.156 491 HB VAL 64 HB VAL 64 5.388 -12.117 1.027 492 HG11 VAL 64 1HG1 VAL 64 5.128 -12.756 4.002 493 HG12 VAL 64 2HG1 VAL 64 4.839 -13.872 2.663 494 HG13 VAL 64 3HG1 VAL 64 3.783 -12.479 2.887 495 HG21 VAL 64 3HG2 VAL 64 4.567 -10.153 2.305 496 HG22 VAL 64 1HG2 VAL 64 6.209 -9.900 1.708 497 HG23 VAL 64 2HG2 VAL 64 5.943 -10.297 3.407 498 H ASN 65 H ASN 65 7.180 -13.445 -0.167 499 HA ASN 65 HA ASN 65 6.682 -16.170 0.335 500 HB2 ASN 65 2HB ASN 65 7.428 -14.572 -2.117 501 HB3 ASN 65 1HB ASN 65 7.557 -16.321 -2.205 502 HD21 ASN 65 1HD2 ASN 65 5.316 -13.649 -1.755 503 HD22 ASN 65 2HD2 ASN 65 3.896 -14.538 -2.139 504 H ASP 66 H ASP 66 9.725 -14.423 0.104 505 HA ASP 66 HA ASP 66 11.353 -16.834 -0.060 506 HB2 ASP 66 2HB ASP 66 11.962 -14.693 -1.274 507 HB3 ASP 66 1HB ASP 66 12.195 -13.913 0.285 508 H GLY 67 H GLY 67 9.924 -14.879 2.356 509 HA2 GLY 67 2HA GLY 67 9.938 -15.149 4.657 510 HA3 GLY 67 1HA GLY 67 11.355 -16.179 4.547 511 H LYS 68 H LYS 68 11.763 -13.298 2.802 512 HA LYS 68 HA LYS 68 13.686 -12.130 4.588 513 HB2 LYS 68 2HB LYS 68 12.229 -10.913 2.196 514 HB3 LYS 68 1HB LYS 68 13.542 -10.125 3.061 515 HG2 LYS 68 2HG LYS 68 13.767 -12.708 1.489 516 HG3 LYS 68 1HG LYS 68 14.264 -11.104 0.938 517 HD2 LYS 68 2HD LYS 68 15.755 -11.156 3.150 518 HD3 LYS 68 1HD LYS 68 15.544 -12.905 3.000 519 HE2 LYS 68 2HE LYS 68 16.838 -11.006 1.016 520 HE3 LYS 68 1HE LYS 68 17.607 -12.317 1.909 521 HZ1 LYS 68 3HZ LYS 68 16.189 -13.870 0.638 522 HZ2 LYS 68 1HZ LYS 68 17.251 -12.988 -0.338 523 HZ3 LYS 68 2HZ LYS 68 15.617 -12.567 -0.274 524 H ALA 69 H ALA 69 10.260 -11.821 4.056 525 HA ALA 69 HA ALA 69 9.969 -9.684 6.080 526 HB1 ALA 69 3HB ALA 69 8.343 -8.514 4.640 527 HB2 ALA 69 1HB ALA 69 8.627 -9.684 3.345 528 HB3 ALA 69 2HB ALA 69 9.920 -8.598 3.855 529 H THR 70 H THR 70 7.830 -9.522 6.891 530 HA THR 70 HA THR 70 6.076 -11.887 6.585 531 HB THR 70 HB THR 70 6.781 -11.366 8.941 532 HG1 THR 70 HG1 THR 70 4.736 -11.584 9.774 533 HG21 THR 70 3HG2 THR 70 6.994 -8.887 8.736 534 HG22 THR 70 1HG2 THR 70 5.976 -9.364 10.103 535 HG23 THR 70 2HG2 THR 70 5.240 -8.763 8.620 536 H THR 71 H THR 71 3.849 -11.491 6.296 537 HA THR 71 HA THR 71 3.229 -9.684 4.237 538 HB THR 71 HB THR 71 1.147 -11.014 6.030 539 HG1 THR 71 HG1 THR 71 1.830 -12.529 3.886 540 HG21 THR 71 3HG2 THR 71 1.221 -10.445 3.052 541 HG22 THR 71 1HG2 THR 71 0.314 -9.519 4.248 542 HG23 THR 71 2HG2 THR 71 -0.114 -11.199 3.927 543 H GLU 72 H GLU 72 2.857 -9.548 7.711 544 HA GLU 72 HA GLU 72 1.177 -7.344 8.069 545 HB2 GLU 72 2HB GLU 72 1.718 -8.942 9.846 546 HB3 GLU 72 1HB GLU 72 3.405 -8.458 9.820 547 HG2 GLU 72 2HG GLU 72 1.365 -6.347 10.445 548 HG3 GLU 72 1HG GLU 72 1.661 -7.580 11.669 549 H GLN 73 H GLN 73 4.675 -7.474 7.487 550 HA GLN 73 HA GLN 73 5.390 -4.919 8.415 551 HB2 GLN 73 2HB GLN 73 7.018 -6.766 7.976 552 HB3 GLN 73 1HB GLN 73 6.783 -6.553 6.244 553 HG2 GLN 73 2HG GLN 73 7.636 -4.187 6.510 554 HG3 GLN 73 1HG GLN 73 8.018 -4.567 8.186 555 HE21 GLN 73 1HE2 GLN 73 8.464 -6.715 5.418 556 HE22 GLN 73 2HE2 GLN 73 10.184 -6.750 5.493 557 H TYR 74 H TYR 74 4.122 -5.933 5.309 558 HA TYR 74 HA TYR 74 4.482 -3.207 4.210 559 HB2 TYR 74 2HB TYR 74 4.079 -5.886 2.828 560 HB3 TYR 74 1HB TYR 74 4.011 -4.345 1.974 561 HD1 TYR 74 HD1 TYR 74 6.092 -2.787 2.155 562 HD2 TYR 74 HD2 TYR 74 6.234 -6.949 3.140 563 HE1 TYR 74 HE1 TYR 74 8.527 -2.759 1.917 564 HE2 TYR 74 HE2 TYR 74 8.690 -6.905 2.884 565 HH TYR 74 HH TYR 74 10.439 -5.579 1.805 566 H PHE 75 H PHE 75 2.049 -5.832 4.281 567 HA PHE 75 HA PHE 75 0.092 -4.321 2.902 568 HB2 PHE 75 2HB PHE 75 -0.074 -6.984 4.344 569 HB3 PHE 75 1HB PHE 75 -1.428 -6.290 3.463 570 HD1 PHE 75 HD1 PHE 75 2.159 -7.315 2.980 571 HD2 PHE 75 HD2 PHE 75 -1.667 -6.771 1.153 572 HE1 PHE 75 HE1 PHE 75 3.004 -8.333 0.907 573 HE2 PHE 75 HE2 PHE 75 -0.812 -7.788 -0.919 574 HZ PHE 75 HZ PHE 75 1.519 -8.572 -1.048 575 H VAL 76 H VAL 76 0.675 -4.519 6.413 576 HA VAL 76 HA VAL 76 -1.837 -3.368 7.180 577 HB VAL 76 HB VAL 76 0.874 -2.995 8.545 578 HG11 VAL 76 1HG1 VAL 76 -0.683 -1.208 9.222 579 HG12 VAL 76 2HG1 VAL 76 -0.430 -2.330 10.561 580 HG13 VAL 76 3HG1 VAL 76 -1.921 -2.404 9.614 581 HG21 VAL 76 3HG2 VAL 76 0.180 -5.359 8.503 582 HG22 VAL 76 1HG2 VAL 76 -1.379 -4.923 9.207 583 HG23 VAL 76 2HG2 VAL 76 0.103 -4.717 10.146 584 H LEU 77 H LEU 77 -2.498 -1.187 7.147 585 HA LEU 77 HA LEU 77 -1.551 0.043 4.764 586 HB2 LEU 77 2HB LEU 77 -3.548 1.229 6.695 587 HB3 LEU 77 1HB LEU 77 -3.343 1.621 4.990 588 HG LEU 77 HG LEU 77 -4.592 -0.842 6.236 589 HD11 LEU 77 1HD1 LEU 77 -5.548 1.072 4.098 590 HD12 LEU 77 2HD1 LEU 77 -6.015 1.083 5.802 591 HD13 LEU 77 3HD1 LEU 77 -6.456 -0.278 4.782 592 HD21 LEU 77 3HD2 LEU 77 -3.090 -1.806 4.585 593 HD22 LEU 77 1HD2 LEU 77 -3.637 -0.667 3.350 594 HD23 LEU 77 2HD2 LEU 77 -4.742 -1.888 3.985 595 H LYS 78 H LYS 78 -1.247 0.993 8.172 596 HA LYS 78 HA LYS 78 -0.015 3.503 7.766 597 HB2 LYS 78 2HB LYS 78 0.751 3.319 10.115 598 HB3 LYS 78 1HB LYS 78 -0.942 2.870 9.945 599 HG2 LYS 78 2HG LYS 78 -0.236 0.454 9.961 600 HG3 LYS 78 1HG LYS 78 1.406 0.987 10.337 601 HD2 LYS 78 2HD LYS 78 0.549 2.061 12.419 602 HD3 LYS 78 1HD LYS 78 -1.076 1.488 12.030 603 HE2 LYS 78 2HE LYS 78 -0.061 0.018 13.687 604 HE3 LYS 78 1HE LYS 78 -0.252 -0.852 12.165 605 HZ1 LYS 78 3HZ LYS 78 2.264 0.356 13.187 606 HZ2 LYS 78 1HZ LYS 78 2.104 -0.441 11.702 607 HZ3 LYS 78 2HZ LYS 78 1.888 -1.291 13.147 608 H ASN 79 H ASN 79 1.294 0.234 7.879 609 HA ASN 79 HA ASN 79 4.066 0.963 7.839 610 HB2 ASN 79 2HB ASN 79 2.739 -1.678 7.079 611 HB3 ASN 79 1HB ASN 79 4.460 -1.445 7.379 612 HD21 ASN 79 1HD2 ASN 79 2.925 -3.325 8.674 613 HD22 ASN 79 2HD2 ASN 79 2.834 -2.933 10.350 614 H LEU 80 H LEU 80 1.766 -0.221 5.392 615 HA LEU 80 HA LEU 80 3.198 -0.062 3.066 616 HB2 LEU 80 2HB LEU 80 0.891 -0.933 3.239 617 HB3 LEU 80 1HB LEU 80 0.286 0.687 3.544 618 HG LEU 80 HG LEU 80 1.025 1.339 1.222 619 HD11 LEU 80 1HD1 LEU 80 1.581 -1.620 0.855 620 HD12 LEU 80 2HD1 LEU 80 2.787 -0.331 0.860 621 HD13 LEU 80 3HD1 LEU 80 1.578 -0.398 -0.419 622 HD21 LEU 80 3HD2 LEU 80 -1.313 0.732 1.660 623 HD22 LEU 80 1HD2 LEU 80 -0.943 -0.964 1.330 624 HD23 LEU 80 2HD2 LEU 80 -0.816 0.237 0.044 625 H ALA 81 H ALA 81 1.415 2.515 4.708 626 HA ALA 81 HA ALA 81 1.927 4.600 2.854 627 HB1 ALA 81 3HB ALA 81 0.029 4.669 4.415 628 HB2 ALA 81 1HB ALA 81 1.044 6.102 4.587 629 HB3 ALA 81 2HB ALA 81 1.141 4.802 5.780 630 H ALA 82 H ALA 82 3.720 3.326 5.594 631 HA ALA 82 HA ALA 82 5.595 5.475 5.861 632 HB1 ALA 82 3HB ALA 82 5.180 3.866 7.676 633 HB2 ALA 82 1HB ALA 82 6.888 3.860 7.221 634 HB3 ALA 82 2HB ALA 82 5.824 2.557 6.683 635 H ARG 83 H ARG 83 5.639 2.332 4.173 636 HA ARG 83 HA ARG 83 8.184 2.456 2.991 637 HB2 ARG 83 2HB ARG 83 5.678 1.045 1.967 638 HB3 ARG 83 1HB ARG 83 7.318 0.736 1.401 639 HG2 ARG 83 2HG ARG 83 6.214 0.161 4.169 640 HG3 ARG 83 1HG ARG 83 6.626 -1.016 2.921 641 HD2 ARG 83 2HD ARG 83 8.544 0.772 4.450 642 HD3 ARG 83 1HD ARG 83 8.385 -0.983 4.587 643 HE ARG 83 HE ARG 83 9.236 0.279 2.052 644 HH11 ARG 83 1HH1 ARG 83 9.880 -2.021 4.613 645 HH12 ARG 83 2HH1 ARG 83 11.368 -2.557 3.907 646 HH21 ARG 83 1HH2 ARG 83 11.191 -0.394 1.175 647 HH22 ARG 83 2HH2 ARG 83 12.114 -1.628 1.970 648 H ILE 84 H ILE 84 5.045 3.587 1.883 649 HA ILE 84 HA ILE 84 5.822 4.407 -0.740 650 HB ILE 84 HB ILE 84 3.417 5.095 0.995 651 HG12 ILE 84 2HG1 ILE 84 3.597 3.312 -1.472 652 HG13 ILE 84 1HG1 ILE 84 3.700 2.714 0.179 653 HG21 ILE 84 1HG2 ILE 84 3.807 5.861 -1.922 654 HG22 ILE 84 2HG2 ILE 84 3.714 6.973 -0.557 655 HG23 ILE 84 3HG2 ILE 84 2.303 6.022 -1.014 656 HD11 ILE 84 3HD1 ILE 84 1.447 3.462 0.621 657 HD12 ILE 84 1HD1 ILE 84 1.495 2.399 -0.785 658 HD13 ILE 84 2HD1 ILE 84 1.329 4.141 -1.006 659 H ASP 85 H ASP 85 5.286 6.177 2.335 660 HA ASP 85 HA ASP 85 6.089 8.709 1.644 661 HB2 ASP 85 2HB ASP 85 5.222 8.020 3.888 662 HB3 ASP 85 1HB ASP 85 6.781 7.290 4.250 663 H GLU 86 H GLU 86 8.133 5.926 2.410 664 HA GLU 86 HA GLU 86 10.645 7.215 2.283 665 HB2 GLU 86 2HB GLU 86 10.225 5.034 3.385 666 HB3 GLU 86 1HB GLU 86 9.921 4.291 1.826 667 HG2 GLU 86 2HG GLU 86 12.569 5.620 2.072 668 HG3 GLU 86 1HG GLU 86 12.331 4.268 3.174 669 H LEU 87 H LEU 87 8.743 5.472 -0.162 670 HA LEU 87 HA LEU 87 10.564 5.655 -2.315 671 HB2 LEU 87 2HB LEU 87 7.545 5.355 -2.333 672 HB3 LEU 87 1HB LEU 87 8.557 5.182 -3.761 673 HG LEU 87 HG LEU 87 8.656 3.386 -1.294 674 HD11 LEU 87 1HD1 LEU 87 7.725 1.644 -2.767 675 HD12 LEU 87 2HD1 LEU 87 7.574 2.819 -4.077 676 HD13 LEU 87 3HD1 LEU 87 6.624 3.010 -2.600 677 HD21 LEU 87 3HD2 LEU 87 10.222 3.174 -3.899 678 HD22 LEU 87 1HD2 LEU 87 10.190 1.959 -2.615 679 HD23 LEU 87 2HD2 LEU 87 10.882 3.546 -2.303 680 H VAL 88 H VAL 88 7.910 7.842 -1.364 681 HA VAL 88 HA VAL 88 8.179 9.588 -3.622 682 HB VAL 88 HB VAL 88 6.599 11.097 -2.545 683 HG11 VAL 88 1HG1 VAL 88 4.666 9.570 -2.181 684 HG12 VAL 88 2HG1 VAL 88 5.774 8.197 -2.152 685 HG13 VAL 88 3HG1 VAL 88 5.598 9.158 -3.621 686 HG21 VAL 88 3HG2 VAL 88 6.855 9.405 -0.031 687 HG22 VAL 88 1HG2 VAL 88 5.708 10.722 -0.271 688 HG23 VAL 88 2HG2 VAL 88 7.439 11.058 -0.228 689 H ALA 89 H ALA 89 9.555 9.449 -0.411 690 HA ALA 89 HA ALA 89 10.810 12.001 -0.383 691 HB1 ALA 89 3HB ALA 89 11.667 9.449 1.028 692 HB2 ALA 89 1HB ALA 89 10.533 10.648 1.659 693 HB3 ALA 89 2HB ALA 89 12.224 11.081 1.404 694 H ALA 90 H ALA 90 11.839 8.790 -1.524 695 HA ALA 90 HA ALA 90 14.474 9.348 -2.232 696 HB1 ALA 90 3HB ALA 90 12.619 7.317 -3.495 697 HB2 ALA 90 1HB ALA 90 13.555 7.089 -2.016 698 HB3 ALA 90 2HB ALA 90 14.385 7.300 -3.560 699 H LYS 91 H LYS 91 11.526 9.823 -4.251 700 HA LYS 91 HA LYS 91 13.032 10.638 -6.566 701 HB2 LYS 91 2HB LYS 91 10.893 11.385 -7.529 702 HB3 LYS 91 1HB LYS 91 10.773 9.760 -6.872 703 HG2 LYS 91 2HG LYS 91 9.558 10.595 -4.923 704 HG3 LYS 91 1HG LYS 91 9.745 12.260 -5.485 705 HD2 LYS 91 2HD LYS 91 8.364 11.749 -7.474 706 HD3 LYS 91 1HD LYS 91 8.217 10.065 -6.956 707 HE2 LYS 91 2HE LYS 91 6.186 11.371 -6.420 708 HE3 LYS 91 1HE LYS 91 6.974 10.778 -4.960 709 HZ1 LYS 91 3HZ LYS 91 6.259 13.055 -4.713 710 HZ2 LYS 91 1HZ LYS 91 7.183 13.531 -6.048 711 HZ3 LYS 91 2HZ LYS 91 7.945 12.966 -4.646 712 H GLY 92 H GLY 92 11.562 12.341 -3.819 713 HA2 GLY 92 2HA GLY 92 12.336 14.977 -4.541 714 HA3 GLY 92 1HA GLY 92 11.976 14.404 -2.924 715 H ALA 93 H ALA 93 14.225 12.305 -3.404 716 HA ALA 93 HA ALA 93 16.244 13.682 -1.927 717 HB1 ALA 93 3HB ALA 93 16.431 11.018 -3.365 718 HB2 ALA 93 1HB ALA 93 15.857 11.263 -1.712 719 HB3 ALA 93 2HB ALA 93 17.538 11.605 -2.120 720 H LEU 94 H LEU 94 15.850 12.906 -5.336 721 HA LEU 94 HA LEU 94 18.247 13.581 -6.513 722 HB2 LEU 94 2HB LEU 94 15.499 14.419 -7.537 723 HB3 LEU 94 1HB LEU 94 16.955 14.212 -8.508 724 HG LEU 94 HG LEU 94 15.441 11.983 -7.073 725 HD11 LEU 94 1HD1 LEU 94 14.829 11.220 -9.324 726 HD12 LEU 94 2HD1 LEU 94 15.641 12.620 -10.032 727 HD13 LEU 94 3HD1 LEU 94 14.219 12.843 -9.007 728 HD21 LEU 94 3HD2 LEU 94 17.870 11.797 -8.896 729 HD22 LEU 94 1HD2 LEU 94 16.955 10.428 -8.258 730 HD23 LEU 94 2HD2 LEU 94 17.848 11.477 -7.160 731 H GLU 95 H GLU 95 15.805 15.747 -5.203 732 HA GLU 95 HA GLU 95 17.441 18.145 -5.715 733 HB2 GLU 95 2HB GLU 95 14.625 17.963 -4.538 734 HB3 GLU 95 1HB GLU 95 15.447 19.429 -5.081 735 HG2 GLU 95 2HG GLU 95 15.438 18.516 -7.402 736 HG3 GLU 95 1HG GLU 95 14.531 17.120 -6.827 737 H HIS 96 H HIS 96 19.063 18.046 -4.198 738 HA HIS 96 HA HIS 96 18.852 17.201 -1.502 739 HB2 HIS 96 2HB HIS 96 20.947 18.852 -2.967 740 HB3 HIS 96 1HB HIS 96 21.092 18.505 -1.245 741 HD1 HIS 96 HD1 HIS 96 22.865 16.777 -1.066 742 HD2 HIS 96 HD2 HIS 96 20.206 15.932 -4.151 743 HE1 HIS 96 HE1 HIS 96 23.546 14.531 -1.949 744 HE2 HIS 96 HE2 HIS 96 21.792 13.953 -3.655 745 H HIS 97 H HIS 97 18.296 20.242 -3.074 746 HA HIS 97 HA HIS 97 16.638 21.131 -0.900 747 HB2 HIS 97 2HB HIS 97 18.916 22.066 -0.263 748 HB3 HIS 97 1HB HIS 97 18.964 22.923 -1.799 749 HD1 HIS 97 HD1 HIS 97 17.808 25.171 -1.874 750 HD2 HIS 97 HD2 HIS 97 16.904 23.021 1.558 751 HE1 HIS 97 HE1 HIS 97 16.527 26.755 -0.406 752 HE2 HIS 97 HE2 HIS 97 15.864 25.385 1.589 753 H HIS 98 H HIS 98 14.847 21.952 -1.932 754 HA HIS 98 HA HIS 98 14.721 21.917 -4.766 755 HB2 HIS 98 2HB HIS 98 12.760 21.464 -3.196 756 HB3 HIS 98 1HB HIS 98 12.645 23.201 -2.930 757 HD1 HIS 98 HD1 HIS 98 11.708 20.523 -5.301 758 HD2 HIS 98 HD2 HIS 98 11.782 24.679 -5.297 759 HE1 HIS 98 HE1 HIS 98 10.267 21.221 -7.228 760 HE2 HIS 98 HE2 HIS 98 10.196 23.730 -7.102 761 H HIS 99 H HIS 99 15.199 23.440 -6.201 762 HA HIS 99 HA HIS 99 16.460 25.876 -5.521 763 HB2 HIS 99 2HB HIS 99 15.490 24.747 -8.176 764 HB3 HIS 99 1HB HIS 99 16.329 26.288 -8.062 765 HD1 HIS 99 HD1 HIS 99 16.988 22.779 -8.564 766 HD2 HIS 99 HD2 HIS 99 19.031 25.940 -6.807 767 HE1 HIS 99 HE1 HIS 99 19.391 22.047 -8.454 768 HE2 HIS 99 HE2 HIS 99 20.571 23.912 -7.245 769 H HIS 100 H HIS 100 15.865 28.035 -6.327 770 HA HIS 100 HA HIS 100 14.615 29.899 -6.226 771 HB2 HIS 100 2HB HIS 100 12.312 28.090 -7.062 772 HB3 HIS 100 1HB HIS 100 12.194 29.845 -6.952 773 HD1 HIS 100 HD1 HIS 100 12.947 31.164 -8.961 774 HD2 HIS 100 HD2 HIS 100 14.169 27.193 -9.126 775 HE1 HIS 100 HE1 HIS 100 13.919 30.849 -11.257 776 HE2 HIS 100 HE2 HIS 100 14.635 28.436 -11.341 777 H HIS 101 H HIS 101 15.050 28.191 -3.918 778 HA HIS 101 HA HIS 101 13.183 29.518 -2.056 779 HB2 HIS 101 2HB HIS 101 14.138 26.620 -1.935 780 HB3 HIS 101 1HB HIS 101 13.573 27.465 -0.497 781 HD1 HIS 101 HD1 HIS 101 11.097 27.634 -0.154 782 HD2 HIS 101 HD2 HIS 101 12.065 26.211 -3.938 783 HE1 HIS 101 HE1 HIS 101 8.929 26.892 -1.164 784 HE2 HIS 101 HE2 HIS 101 9.510 26.261 -3.520 Start of MODEL 3 1 H1 MET 1 1H MET 1 -3.312 18.041 9.479 2 H2 MET 1 2H MET 1 -3.977 17.724 7.965 3 H3 MET 1 3H MET 1 -2.338 17.426 8.239 4 HA MET 1 HA MET 1 -2.856 15.716 9.822 5 HB2 MET 1 2HB MET 1 -5.177 14.946 10.157 6 HB3 MET 1 1HB MET 1 -4.986 16.621 10.654 7 HG2 MET 1 2HG MET 1 -6.060 17.375 8.583 8 HG3 MET 1 1HG MET 1 -6.215 15.706 8.040 9 HE1 MET 1 3HE MET 1 -6.780 17.155 11.708 10 HE2 MET 1 1HE MET 1 -8.514 17.449 11.664 11 HE3 MET 1 2HE MET 1 -7.427 18.408 10.652 12 H THR 2 H THR 2 -4.083 16.461 6.621 13 HA THR 2 HA THR 2 -4.249 13.791 5.626 14 HB THR 2 HB THR 2 -3.785 16.389 4.084 15 HG1 THR 2 HG1 THR 2 -6.145 15.069 4.988 16 HG21 THR 2 3HG2 THR 2 -3.327 14.393 2.681 17 HG22 THR 2 1HG2 THR 2 -4.808 15.197 2.161 18 HG23 THR 2 2HG2 THR 2 -4.898 13.717 3.112 19 H SER 3 H SER 3 -2.464 12.572 5.877 20 HA SER 3 HA SER 3 0.189 13.556 5.002 21 HB2 SER 3 2HB SER 3 -0.024 12.897 7.423 22 HB3 SER 3 1HB SER 3 -0.486 11.270 6.928 23 HG SER 3 HG SER 3 1.982 12.467 7.017 24 H THR 4 H THR 4 1.507 11.250 4.540 25 HA THR 4 HA THR 4 0.796 10.432 1.980 26 HB THR 4 HB THR 4 2.445 8.727 3.908 27 HG1 THR 4 HG1 THR 4 4.120 10.073 3.567 28 HG21 THR 4 3HG2 THR 4 3.679 8.088 1.854 29 HG22 THR 4 1HG2 THR 4 2.599 9.086 0.880 30 HG23 THR 4 2HG2 THR 4 1.976 7.661 1.718 31 H PHE 5 H PHE 5 -0.286 9.183 5.074 32 HA PHE 5 HA PHE 5 -1.255 6.664 4.270 33 HB2 PHE 5 2HB PHE 5 -1.062 7.030 6.641 34 HB3 PHE 5 1HB PHE 5 -2.100 8.452 6.587 35 HD1 PHE 5 HD1 PHE 5 -2.174 4.746 5.919 36 HD2 PHE 5 HD2 PHE 5 -4.419 8.218 7.045 37 HE1 PHE 5 HE1 PHE 5 -4.181 3.371 6.229 38 HE2 PHE 5 HE2 PHE 5 -6.408 6.818 7.354 39 HZ PHE 5 HZ PHE 5 -6.295 4.393 6.943 40 H ASP 6 H ASP 6 -3.013 9.753 4.655 41 HA ASP 6 HA ASP 6 -5.559 8.870 3.889 42 HB2 ASP 6 2HB ASP 6 -5.160 11.045 5.000 43 HB3 ASP 6 1HB ASP 6 -4.343 11.647 3.568 44 H ARG 7 H ARG 7 -2.867 10.032 1.998 45 HA ARG 7 HA ARG 7 -4.108 10.284 -0.517 46 HB2 ARG 7 2HB ARG 7 -1.195 9.569 0.015 47 HB3 ARG 7 1HB ARG 7 -1.852 10.333 -1.427 48 HG2 ARG 7 2HG ARG 7 -1.487 11.558 1.331 49 HG3 ARG 7 1HG ARG 7 -0.725 12.041 -0.189 50 HD2 ARG 7 2HD ARG 7 -3.646 12.345 0.577 51 HD3 ARG 7 1HD ARG 7 -2.457 13.639 0.426 52 HE ARG 7 HE ARG 7 -2.342 12.979 -2.009 53 HH11 ARG 7 1HH1 ARG 7 -5.287 12.442 -0.163 54 HH12 ARG 7 2HH1 ARG 7 -6.320 12.594 -1.548 55 HH21 ARG 7 1HH2 ARG 7 -3.714 13.147 -3.815 56 HH22 ARG 7 2HH2 ARG 7 -5.429 12.981 -3.606 57 H VAL 8 H VAL 8 -2.126 7.604 0.821 58 HA VAL 8 HA VAL 8 -2.600 5.698 -1.222 59 HB VAL 8 HB VAL 8 -2.066 5.142 1.740 60 HG11 VAL 8 1HG1 VAL 8 -2.841 3.123 0.541 61 HG12 VAL 8 2HG1 VAL 8 -1.138 2.968 0.964 62 HG13 VAL 8 3HG1 VAL 8 -1.598 3.363 -0.690 63 HG21 VAL 8 3HG2 VAL 8 0.324 5.057 1.177 64 HG22 VAL 8 1HG2 VAL 8 -0.338 6.637 0.755 65 HG23 VAL 8 2HG2 VAL 8 -0.030 5.447 -0.508 66 H ALA 9 H ALA 9 -4.478 6.624 1.585 67 HA ALA 9 HA ALA 9 -6.113 4.318 1.850 68 HB1 ALA 9 3HB ALA 9 -5.687 5.821 3.765 69 HB2 ALA 9 1HB ALA 9 -7.418 5.650 3.464 70 HB3 ALA 9 2HB ALA 9 -6.572 7.115 2.956 71 H THR 10 H THR 10 -6.600 7.541 0.327 72 HA THR 10 HA THR 10 -9.282 7.070 -0.478 73 HB THR 10 HB THR 10 -8.303 9.365 -0.234 74 HG1 THR 10 HG1 THR 10 -9.389 8.819 -2.811 75 HG21 THR 10 3HG2 THR 10 -6.917 8.803 -2.883 76 HG22 THR 10 1HG2 THR 10 -6.113 9.042 -1.327 77 HG23 THR 10 2HG2 THR 10 -7.000 10.370 -2.076 78 H ILE 11 H ILE 11 -6.146 6.396 -1.950 79 HA ILE 11 HA ILE 11 -7.017 5.548 -4.509 80 HB ILE 11 HB ILE 11 -4.605 4.643 -2.882 81 HG12 ILE 11 2HG1 ILE 11 -4.523 7.033 -3.436 82 HG13 ILE 11 1HG1 ILE 11 -3.305 6.168 -4.369 83 HG21 ILE 11 1HG2 ILE 11 -3.625 3.786 -5.013 84 HG22 ILE 11 2HG2 ILE 11 -5.174 4.065 -5.809 85 HG23 ILE 11 3HG2 ILE 11 -5.055 2.884 -4.503 86 HD11 ILE 11 3HD1 ILE 11 -5.972 7.149 -5.387 87 HD12 ILE 11 1HD1 ILE 11 -4.772 6.259 -6.333 88 HD13 ILE 11 2HD1 ILE 11 -4.386 7.852 -5.692 89 H ILE 12 H ILE 12 -6.452 3.709 -1.499 90 HA ILE 12 HA ILE 12 -7.234 1.152 -2.410 91 HB ILE 12 HB ILE 12 -7.264 2.377 0.383 92 HG12 ILE 12 2HG1 ILE 12 -5.253 0.477 -0.911 93 HG13 ILE 12 1HG1 ILE 12 -5.026 2.212 -0.726 94 HG21 ILE 12 1HG2 ILE 12 -7.606 -0.565 -0.310 95 HG22 ILE 12 2HG2 ILE 12 -8.828 0.491 0.402 96 HG23 ILE 12 3HG2 ILE 12 -7.378 0.084 1.317 97 HD11 ILE 12 3HD1 ILE 12 -3.784 0.989 0.945 98 HD12 ILE 12 1HD1 ILE 12 -5.255 0.205 1.518 99 HD13 ILE 12 2HD1 ILE 12 -5.048 1.949 1.716 100 H ALA 13 H ALA 13 -9.043 3.857 -1.095 101 HA ALA 13 HA ALA 13 -11.541 2.634 -0.655 102 HB1 ALA 13 3HB ALA 13 -10.949 5.551 -1.241 103 HB2 ALA 13 1HB ALA 13 -10.895 4.788 0.349 104 HB3 ALA 13 2HB ALA 13 -12.429 4.916 -0.514 105 H GLU 14 H GLU 14 -10.457 4.672 -3.419 106 HA GLU 14 HA GLU 14 -12.867 4.313 -4.911 107 HB2 GLU 14 2HB GLU 14 -11.680 5.514 -6.718 108 HB3 GLU 14 1HB GLU 14 -11.482 6.318 -5.162 109 HG2 GLU 14 2HG GLU 14 -9.236 5.175 -4.962 110 HG3 GLU 14 1HG GLU 14 -9.434 4.623 -6.623 111 H THR 15 H THR 15 -9.803 2.589 -4.845 112 HA THR 15 HA THR 15 -10.139 1.243 -7.372 113 HB THR 15 HB THR 15 -8.156 0.794 -5.093 114 HG1 THR 15 HG1 THR 15 -7.955 2.804 -6.216 115 HG21 THR 15 3HG2 THR 15 -8.138 -0.351 -7.902 116 HG22 THR 15 1HG2 THR 15 -8.315 -1.271 -6.404 117 HG23 THR 15 2HG2 THR 15 -6.797 -0.444 -6.762 118 H CYS 16 H CYS 16 -10.083 0.096 -3.969 119 HA CYS 16 HA CYS 16 -11.173 -2.498 -4.767 120 HB2 CYS 16 2HB CYS 16 -9.144 -2.340 -3.293 121 HB3 CYS 16 1HB CYS 16 -10.133 -1.578 -2.051 122 HG CYS 16 HG CYS 16 -10.053 -4.804 -3.051 123 H ASP 17 H ASP 17 -12.591 0.357 -4.126 124 HA ASP 17 HA ASP 17 -14.586 1.134 -3.463 125 HB2 ASP 17 2HB ASP 17 -15.315 -1.771 -3.958 126 HB3 ASP 17 1HB ASP 17 -16.535 -0.606 -3.444 127 H ILE 18 H ILE 18 -12.725 0.239 -1.343 128 HA ILE 18 HA ILE 18 -14.412 -0.642 0.866 129 HB ILE 18 HB ILE 18 -11.498 0.280 0.907 130 HG12 ILE 18 2HG1 ILE 18 -12.635 -2.547 0.745 131 HG13 ILE 18 1HG1 ILE 18 -11.786 -1.705 -0.548 132 HG21 ILE 18 1HG2 ILE 18 -11.354 -0.866 3.092 133 HG22 ILE 18 2HG2 ILE 18 -13.068 -1.279 3.002 134 HG23 ILE 18 3HG2 ILE 18 -12.571 0.411 3.133 135 HD11 ILE 18 3HD1 ILE 18 -10.621 -2.602 2.085 136 HD12 ILE 18 1HD1 ILE 18 -9.753 -1.674 0.860 137 HD13 ILE 18 2HD1 ILE 18 -10.327 -3.298 0.493 138 HA PRO 19 HA PRO 19 -15.754 3.702 1.730 139 HB2 PRO 19 2HB PRO 19 -16.440 2.209 4.285 140 HB3 PRO 19 1HB PRO 19 -17.386 3.429 3.412 141 HG2 PRO 19 2HG PRO 19 -18.015 0.872 3.144 142 HG3 PRO 19 1HG PRO 19 -17.992 1.916 1.705 143 HD2 PRO 19 2HD PRO 19 -15.970 -0.128 2.599 144 HD3 PRO 19 1HD PRO 19 -16.525 0.268 0.959 145 H ARG 20 H ARG 20 -14.890 5.383 2.950 146 HA ARG 20 HA ARG 20 -12.248 5.182 3.919 147 HB2 ARG 20 2HB ARG 20 -14.356 7.350 4.230 148 HB3 ARG 20 1HB ARG 20 -12.712 7.538 4.826 149 HG2 ARG 20 2HG ARG 20 -13.478 7.080 1.920 150 HG3 ARG 20 1HG ARG 20 -13.048 8.631 2.645 151 HD2 ARG 20 2HD ARG 20 -10.861 7.034 3.328 152 HD3 ARG 20 1HD ARG 20 -11.294 6.431 1.730 153 HE ARG 20 HE ARG 20 -11.084 8.752 0.918 154 HH11 ARG 20 1HH1 ARG 20 -9.406 7.917 3.901 155 HH12 ARG 20 2HH1 ARG 20 -8.303 9.253 3.787 156 HH21 ARG 20 1HH2 ARG 20 -9.627 10.508 0.813 157 HH22 ARG 20 2HH2 ARG 20 -8.419 10.704 2.048 158 H GLU 21 H GLU 21 -15.343 5.073 5.578 159 HA GLU 21 HA GLU 21 -14.516 5.284 8.257 160 HB2 GLU 21 2HB GLU 21 -16.717 4.263 8.804 161 HB3 GLU 21 1HB GLU 21 -16.860 5.531 7.595 162 HG2 GLU 21 2HG GLU 21 -16.968 3.761 5.825 163 HG3 GLU 21 1HG GLU 21 -16.955 2.540 7.093 164 H THR 22 H THR 22 -14.643 2.481 6.077 165 HA THR 22 HA THR 22 -13.944 0.566 8.167 166 HB THR 22 HB THR 22 -13.964 -1.101 6.225 167 HG1 THR 22 HG1 THR 22 -13.637 0.708 4.642 168 HG21 THR 22 3HG2 THR 22 -15.956 -0.798 7.653 169 HG22 THR 22 1HG2 THR 22 -16.422 -1.108 5.978 170 HG23 THR 22 2HG2 THR 22 -16.499 0.533 6.626 171 H ILE 23 H ILE 23 -12.197 2.737 6.285 172 HA ILE 23 HA ILE 23 -9.712 1.142 6.224 173 HB ILE 23 HB ILE 23 -10.333 3.969 5.226 174 HG12 ILE 23 2HG1 ILE 23 -9.811 1.408 3.651 175 HG13 ILE 23 1HG1 ILE 23 -11.394 2.136 3.897 176 HG21 ILE 23 1HG2 ILE 23 -8.099 3.953 4.156 177 HG22 ILE 23 2HG2 ILE 23 -7.741 2.401 4.910 178 HG23 ILE 23 3HG2 ILE 23 -7.968 3.835 5.912 179 HD11 ILE 23 3HD1 ILE 23 -9.091 3.347 2.367 180 HD12 ILE 23 1HD1 ILE 23 -10.667 4.108 2.626 181 HD13 ILE 23 2HD1 ILE 23 -10.548 2.617 1.693 182 H THR 24 H THR 24 -8.322 1.281 7.930 183 HA THR 24 HA THR 24 -8.024 3.789 9.463 184 HB THR 24 HB THR 24 -7.868 2.556 11.627 185 HG1 THR 24 HG1 THR 24 -8.722 0.308 10.105 186 HG21 THR 24 3HG2 THR 24 -10.234 2.073 12.022 187 HG22 THR 24 1HG2 THR 24 -10.524 1.985 10.280 188 HG23 THR 24 2HG2 THR 24 -10.071 3.519 11.023 189 HA PRO 25 HA PRO 25 -3.556 2.914 8.923 190 HB2 PRO 25 2HB PRO 25 -3.375 3.828 11.806 191 HB3 PRO 25 1HB PRO 25 -2.381 4.298 10.415 192 HG2 PRO 25 2HG PRO 25 -4.277 5.942 11.291 193 HG3 PRO 25 1HG PRO 25 -4.042 5.716 9.543 194 HD2 PRO 25 2HD PRO 25 -6.191 4.583 11.330 195 HD3 PRO 25 1HD PRO 25 -6.311 5.177 9.659 196 H GLU 26 H GLU 26 -5.273 1.800 11.812 197 HA GLU 26 HA GLU 26 -3.257 -0.045 12.697 198 HB2 GLU 26 2HB GLU 26 -6.134 0.395 13.578 199 HB3 GLU 26 1HB GLU 26 -5.018 -0.703 14.394 200 HG2 GLU 26 2HG GLU 26 -3.554 1.164 14.966 201 HG3 GLU 26 1HG GLU 26 -4.559 2.277 14.042 202 H SER 27 H SER 27 -5.965 -0.277 10.492 203 HA SER 27 HA SER 27 -6.365 -3.139 10.775 204 HB2 SER 27 2HB SER 27 -7.898 -2.896 8.811 205 HB3 SER 27 1HB SER 27 -8.273 -1.759 10.102 206 HG SER 27 HG SER 27 -6.509 -0.715 8.318 207 H HIS 28 H HIS 28 -5.740 -4.752 9.396 208 HA HIS 28 HA HIS 28 -3.371 -4.330 7.721 209 HB2 HIS 28 2HB HIS 28 -3.527 -6.139 9.516 210 HB3 HIS 28 1HB HIS 28 -4.737 -6.940 8.531 211 HD2 HIS 28 HD2 HIS 28 -1.101 -7.179 9.174 212 HE1 HIS 28 HE1 HIS 28 -1.609 -8.606 5.242 213 HE2 HIS 28 HE2 HIS 28 -0.167 -8.713 7.308 214 H ALA 29 H ALA 29 -3.526 -4.311 5.488 215 HA ALA 29 HA ALA 29 -5.792 -4.294 3.969 216 HB1 ALA 29 3HB ALA 29 -3.582 -3.622 3.111 217 HB2 ALA 29 1HB ALA 29 -4.391 -4.729 1.997 218 HB3 ALA 29 2HB ALA 29 -3.089 -5.315 3.038 219 H ILE 30 H ILE 30 -3.705 -7.217 4.400 220 HA ILE 30 HA ILE 30 -5.474 -8.883 2.862 221 HB ILE 30 HB ILE 30 -3.229 -9.771 4.732 222 HG12 ILE 30 2HG1 ILE 30 -3.173 -9.219 1.727 223 HG13 ILE 30 1HG1 ILE 30 -2.371 -8.262 2.967 224 HG21 ILE 30 1HG2 ILE 30 -3.226 -11.877 3.445 225 HG22 ILE 30 2HG2 ILE 30 -4.599 -11.306 2.491 226 HG23 ILE 30 3HG2 ILE 30 -4.787 -11.611 4.222 227 HD11 ILE 30 3HD1 ILE 30 -0.912 -10.176 3.470 228 HD12 ILE 30 1HD1 ILE 30 -0.795 -9.646 1.790 229 HD13 ILE 30 2HD1 ILE 30 -1.708 -11.099 2.190 230 H ASP 31 H ASP 31 -4.779 -8.614 6.370 231 HA ASP 31 HA ASP 31 -6.467 -10.802 7.097 232 HB2 ASP 31 2HB ASP 31 -4.513 -10.175 8.474 233 HB3 ASP 31 1HB ASP 31 -5.265 -8.627 8.860 234 H ASP 32 H ASP 32 -6.874 -7.267 7.559 235 HA ASP 32 HA ASP 32 -9.545 -7.665 8.683 236 HB2 ASP 32 2HB ASP 32 -7.936 -5.980 9.633 237 HB3 ASP 32 1HB ASP 32 -8.059 -5.054 8.142 238 H LEU 33 H LEU 33 -8.205 -5.693 5.981 239 HA LEU 33 HA LEU 33 -10.769 -5.001 4.927 240 HB2 LEU 33 2HB LEU 33 -8.050 -4.864 3.568 241 HB3 LEU 33 1HB LEU 33 -9.513 -4.067 3.008 242 HG LEU 33 HG LEU 33 -7.927 -3.407 5.525 243 HD11 LEU 33 1HD1 LEU 33 -8.396 -1.851 2.962 244 HD12 LEU 33 2HD1 LEU 33 -6.892 -2.615 3.481 245 HD13 LEU 33 3HD1 LEU 33 -7.539 -1.257 4.387 246 HD21 LEU 33 3HD2 LEU 33 -10.293 -3.122 6.044 247 HD22 LEU 33 1HD2 LEU 33 -10.541 -2.171 4.576 248 HD23 LEU 33 2HD2 LEU 33 -9.527 -1.545 5.881 249 H GLY 34 H GLY 34 -8.525 -7.641 4.294 250 HA2 GLY 34 2HA GLY 34 -9.089 -9.702 3.300 251 HA3 GLY 34 1HA GLY 34 -10.505 -8.971 2.558 252 H ILE 35 H ILE 35 -7.975 -6.907 2.031 253 HA ILE 35 HA ILE 35 -7.735 -7.363 -0.758 254 HB ILE 35 HB ILE 35 -5.871 -5.782 1.081 255 HG12 ILE 35 2HG1 ILE 35 -8.182 -4.768 -0.630 256 HG13 ILE 35 1HG1 ILE 35 -8.228 -4.953 1.123 257 HG21 ILE 35 1HG2 ILE 35 -5.108 -4.591 -0.955 258 HG22 ILE 35 2HG2 ILE 35 -6.098 -5.654 -1.953 259 HG23 ILE 35 3HG2 ILE 35 -4.738 -6.315 -1.042 260 HD11 ILE 35 3HD1 ILE 35 -6.443 -3.280 1.342 261 HD12 ILE 35 1HD1 ILE 35 -7.856 -2.640 0.504 262 HD13 ILE 35 2HD1 ILE 35 -6.419 -3.082 -0.413 263 H ASP 36 H ASP 36 -6.901 -9.284 -1.437 264 HA ASP 36 HA ASP 36 -4.656 -10.619 -0.186 265 HB2 ASP 36 2HB ASP 36 -6.579 -11.830 -1.307 266 HB3 ASP 36 1HB ASP 36 -6.053 -11.183 -2.856 267 H SER 37 H SER 37 -2.662 -11.158 -1.563 268 HA SER 37 HA SER 37 -1.343 -8.952 -2.628 269 HB2 SER 37 2HB SER 37 -0.251 -11.035 -1.776 270 HB3 SER 37 1HB SER 37 -0.792 -11.888 -3.222 271 HG SER 37 HG SER 37 0.436 -10.231 -4.410 272 H LEU 38 H LEU 38 -3.715 -10.968 -4.154 273 HA LEU 38 HA LEU 38 -3.056 -10.312 -6.899 274 HB2 LEU 38 2HB LEU 38 -5.549 -11.592 -5.699 275 HB3 LEU 38 1HB LEU 38 -5.240 -11.422 -7.423 276 HG LEU 38 HG LEU 38 -3.661 -13.139 -5.468 277 HD11 LEU 38 1HD1 LEU 38 -5.473 -13.946 -7.762 278 HD12 LEU 38 2HD1 LEU 38 -5.829 -14.102 -6.040 279 HD13 LEU 38 3HD1 LEU 38 -4.520 -15.040 -6.754 280 HD21 LEU 38 3HD2 LEU 38 -2.383 -13.919 -7.439 281 HD22 LEU 38 1HD2 LEU 38 -2.124 -12.209 -7.105 282 HD23 LEU 38 2HD2 LEU 38 -3.180 -12.697 -8.433 283 H ASP 39 H ASP 39 -5.409 -9.292 -4.458 284 HA ASP 39 HA ASP 39 -6.931 -7.509 -6.081 285 HB2 ASP 39 2HB ASP 39 -7.613 -8.467 -3.809 286 HB3 ASP 39 1HB ASP 39 -6.482 -7.349 -3.057 287 H PHE 40 H PHE 40 -4.094 -7.179 -4.040 288 HA PHE 40 HA PHE 40 -3.916 -4.365 -4.077 289 HB2 PHE 40 2HB PHE 40 -2.836 -6.077 -2.399 290 HB3 PHE 40 1HB PHE 40 -1.501 -6.122 -3.545 291 HD1 PHE 40 HD2 PHE 40 -3.427 -3.935 -1.241 292 HD2 PHE 40 HD1 PHE 40 0.041 -4.203 -3.731 293 HE1 PHE 40 HE2 PHE 40 -2.594 -1.819 -0.321 294 HE2 PHE 40 HE1 PHE 40 0.856 -2.078 -2.807 295 HZ PHE 40 HZ PHE 40 -0.466 -0.884 -1.114 296 H LEU 41 H LEU 41 -3.056 -6.707 -6.487 297 HA LEU 41 HA LEU 41 -0.864 -5.536 -7.804 298 HB2 LEU 41 2HB LEU 41 -3.247 -7.032 -8.951 299 HB3 LEU 41 1HB LEU 41 -1.829 -6.617 -9.899 300 HG LEU 41 HG LEU 41 -1.773 -8.437 -7.454 301 HD11 LEU 41 1HD1 LEU 41 -1.708 -9.217 -10.386 302 HD12 LEU 41 2HD1 LEU 41 -3.053 -9.481 -9.269 303 HD13 LEU 41 3HD1 LEU 41 -1.517 -10.307 -9.008 304 HD21 LEU 41 3HD2 LEU 41 0.360 -7.265 -7.893 305 HD22 LEU 41 1HD2 LEU 41 0.374 -7.910 -9.532 306 HD23 LEU 41 2HD2 LEU 41 0.494 -8.999 -8.148 307 H ASP 42 H ASP 42 -4.344 -4.906 -8.151 308 HA ASP 42 HA ASP 42 -4.141 -2.921 -10.200 309 HB2 ASP 42 2HB ASP 42 -6.178 -4.408 -9.697 310 HB3 ASP 42 1HB ASP 42 -6.513 -3.352 -8.330 311 H ILE 43 H ILE 43 -4.364 -2.849 -6.666 312 HA ILE 43 HA ILE 43 -4.751 -0.046 -6.314 313 HB ILE 43 HB ILE 43 -3.457 -2.018 -4.364 314 HG12 ILE 43 2HG1 ILE 43 -6.382 -1.194 -4.671 315 HG13 ILE 43 1HG1 ILE 43 -5.713 -2.785 -5.026 316 HG21 ILE 43 1HG2 ILE 43 -4.095 -0.418 -2.589 317 HG22 ILE 43 2HG2 ILE 43 -4.726 0.695 -3.804 318 HG23 ILE 43 3HG2 ILE 43 -2.998 0.336 -3.750 319 HD11 ILE 43 3HD1 ILE 43 -5.939 -1.485 -2.312 320 HD12 ILE 43 1HD1 ILE 43 -5.179 -3.049 -2.627 321 HD13 ILE 43 2HD1 ILE 43 -6.900 -2.824 -2.938 322 H ALA 44 H ALA 44 -1.873 -2.084 -6.497 323 HA ALA 44 HA ALA 44 0.102 -0.171 -5.803 324 HB1 ALA 44 3HB ALA 44 0.533 -2.609 -5.700 325 HB2 ALA 44 1HB ALA 44 1.731 -1.792 -6.713 326 HB3 ALA 44 2HB ALA 44 0.414 -2.704 -7.457 327 H PHE 45 H PHE 45 -1.331 -1.195 -8.852 328 HA PHE 45 HA PHE 45 0.211 0.358 -10.636 329 HB2 PHE 45 2HB PHE 45 -1.220 -1.514 -11.388 330 HB3 PHE 45 1HB PHE 45 -2.661 -0.617 -10.930 331 HD1 PHE 45 HD2 PHE 45 0.411 -0.111 -13.055 332 HD2 PHE 45 HD1 PHE 45 -3.819 0.430 -12.689 333 HE1 PHE 45 HE2 PHE 45 0.339 0.893 -15.296 334 HE2 PHE 45 HE1 PHE 45 -3.880 1.430 -14.935 335 HZ PHE 45 HZ PHE 45 -1.801 1.664 -16.240 336 H ALA 46 H ALA 46 -2.810 1.044 -8.925 337 HA ALA 46 HA ALA 46 -3.287 3.633 -9.988 338 HB1 ALA 46 3HB ALA 46 -4.879 3.859 -8.113 339 HB2 ALA 46 1HB ALA 46 -4.209 2.403 -7.373 340 HB3 ALA 46 2HB ALA 46 -5.043 2.299 -8.926 341 H ILE 47 H ILE 47 -1.364 2.478 -7.266 342 HA ILE 47 HA ILE 47 -0.805 5.024 -6.057 343 HB ILE 47 HB ILE 47 0.446 2.261 -5.773 344 HG12 ILE 47 2HG1 ILE 47 -1.210 3.879 -3.790 345 HG13 ILE 47 1HG1 ILE 47 -1.891 2.682 -4.882 346 HG21 ILE 47 1HG2 ILE 47 1.216 4.712 -4.146 347 HG22 ILE 47 2HG2 ILE 47 2.251 3.859 -5.291 348 HG23 ILE 47 3HG2 ILE 47 1.725 3.055 -3.815 349 HD11 ILE 47 3HD1 ILE 47 -0.644 0.919 -3.772 350 HD12 ILE 47 1HD1 ILE 47 -1.605 1.832 -2.614 351 HD13 ILE 47 2HD1 ILE 47 0.132 2.103 -2.717 352 H ASP 48 H ASP 48 0.931 2.903 -8.342 353 HA ASP 48 HA ASP 48 3.264 4.292 -8.851 354 HB2 ASP 48 2HB ASP 48 1.475 2.625 -10.634 355 HB3 ASP 48 1HB ASP 48 2.845 3.455 -11.354 356 H LYS 49 H LYS 49 0.090 4.810 -10.283 357 HA LYS 49 HA LYS 49 0.808 6.942 -12.035 358 HB2 LYS 49 2HB LYS 49 -1.912 6.057 -11.000 359 HB3 LYS 49 1HB LYS 49 -1.668 7.195 -12.325 360 HG2 LYS 49 2HG LYS 49 -0.662 5.451 -13.701 361 HG3 LYS 49 1HG LYS 49 -0.704 4.310 -12.353 362 HD2 LYS 49 2HD LYS 49 -2.522 3.847 -13.933 363 HD3 LYS 49 1HD LYS 49 -3.171 4.357 -12.374 364 HE2 LYS 49 2HE LYS 49 -3.478 6.665 -13.321 365 HE3 LYS 49 1HE LYS 49 -2.947 6.057 -14.891 366 HZ1 LYS 49 3HZ LYS 49 -5.298 5.087 -13.370 367 HZ2 LYS 49 1HZ LYS 49 -4.817 4.550 -14.894 368 HZ3 LYS 49 2HZ LYS 49 -5.347 6.142 -14.689 369 H ALA 50 H ALA 50 -0.890 6.817 -8.902 370 HA ALA 50 HA ALA 50 -1.777 9.477 -8.789 371 HB1 ALA 50 3HB ALA 50 -2.718 7.660 -7.414 372 HB2 ALA 50 1HB ALA 50 -2.239 9.031 -6.408 373 HB3 ALA 50 2HB ALA 50 -1.228 7.582 -6.475 374 H PHE 51 H PHE 51 0.974 7.988 -7.071 375 HA PHE 51 HA PHE 51 1.908 10.538 -6.035 376 HB2 PHE 51 2HB PHE 51 3.065 7.728 -5.760 377 HB3 PHE 51 1HB PHE 51 3.636 9.148 -4.890 378 HD1 PHE 51 HD1 PHE 51 0.738 6.828 -5.272 379 HD2 PHE 51 HD2 PHE 51 2.519 9.908 -2.903 380 HE1 PHE 51 HE1 PHE 51 -0.892 6.398 -3.483 381 HE2 PHE 51 HE2 PHE 51 0.895 9.462 -1.119 382 HZ PHE 51 HZ PHE 51 -0.809 7.719 -1.405 383 H GLY 52 H GLY 52 2.431 8.744 -8.881 384 HA2 GLY 52 2HA GLY 52 3.915 8.927 -10.623 385 HA3 GLY 52 1HA GLY 52 4.569 10.367 -9.856 386 H ILE 53 H ILE 53 4.377 7.246 -8.274 387 HA ILE 53 HA ILE 53 7.329 6.916 -8.302 388 HB ILE 53 HB ILE 53 7.132 5.703 -6.159 389 HG12 ILE 53 2HG1 ILE 53 4.144 6.375 -6.194 390 HG13 ILE 53 1HG1 ILE 53 4.814 4.774 -6.490 391 HG21 ILE 53 1HG2 ILE 53 5.773 8.413 -6.015 392 HG22 ILE 53 2HG2 ILE 53 7.514 8.113 -6.045 393 HG23 ILE 53 3HG2 ILE 53 6.553 7.576 -4.666 394 HD11 ILE 53 3HD1 ILE 53 3.944 4.965 -4.237 395 HD12 ILE 53 1HD1 ILE 53 5.015 6.327 -3.909 396 HD13 ILE 53 2HD1 ILE 53 5.689 4.722 -4.202 397 H LYS 54 H LYS 54 7.716 4.387 -7.648 398 HA LYS 54 HA LYS 54 5.683 2.662 -8.914 399 HB2 LYS 54 2HB LYS 54 7.738 2.687 -10.315 400 HB3 LYS 54 1HB LYS 54 8.711 2.205 -8.925 401 HG2 LYS 54 2HG LYS 54 7.456 0.075 -8.790 402 HG3 LYS 54 1HG LYS 54 6.469 0.568 -10.168 403 HD2 LYS 54 2HD LYS 54 8.517 0.600 -11.588 404 HD3 LYS 54 1HD LYS 54 9.470 0.047 -10.205 405 HE2 LYS 54 2HE LYS 54 8.148 -2.042 -10.125 406 HE3 LYS 54 1HE LYS 54 7.164 -1.483 -11.480 407 HZ1 LYS 54 3HZ LYS 54 10.072 -2.079 -11.546 408 HZ2 LYS 54 1HZ LYS 54 9.182 -1.455 -12.837 409 HZ3 LYS 54 2HZ LYS 54 8.831 -2.999 -12.241 410 H LEU 55 H LEU 55 4.652 1.770 -7.204 411 HA LEU 55 HA LEU 55 6.070 0.750 -4.878 412 HB2 LEU 55 2HB LEU 55 3.670 1.606 -4.822 413 HB3 LEU 55 1HB LEU 55 3.198 0.192 -5.750 414 HG LEU 55 HG LEU 55 4.517 -0.023 -2.997 415 HD11 LEU 55 1HD1 LEU 55 1.544 0.005 -3.577 416 HD12 LEU 55 2HD1 LEU 55 2.460 1.278 -2.767 417 HD13 LEU 55 3HD1 LEU 55 2.309 -0.306 -2.013 418 HD21 LEU 55 3HD2 LEU 55 2.841 -2.062 -4.527 419 HD22 LEU 55 1HD2 LEU 55 3.505 -2.277 -2.899 420 HD23 LEU 55 2HD2 LEU 55 4.588 -2.127 -4.279 421 HA PRO 56 HA PRO 56 6.872 -2.849 -7.603 422 HB2 PRO 56 2HB PRO 56 9.160 -3.750 -6.457 423 HB3 PRO 56 1HB PRO 56 9.144 -2.299 -7.476 424 HG2 PRO 56 2HG PRO 56 9.249 -2.521 -4.485 425 HG3 PRO 56 1HG PRO 56 10.039 -1.341 -5.549 426 HD2 PRO 56 2HD PRO 56 7.651 -0.915 -4.104 427 HD3 PRO 56 1HD PRO 56 8.229 0.081 -5.455 428 H LEU 57 H LEU 57 4.878 -3.712 -6.772 429 HA LEU 57 HA LEU 57 4.719 -5.138 -4.297 430 HB2 LEU 57 2HB LEU 57 2.710 -4.243 -5.475 431 HB3 LEU 57 1HB LEU 57 2.943 -5.429 -6.751 432 HG LEU 57 HG LEU 57 2.568 -7.275 -5.106 433 HD11 LEU 57 1HD1 LEU 57 1.681 -6.798 -2.857 434 HD12 LEU 57 2HD1 LEU 57 1.966 -5.075 -3.100 435 HD13 LEU 57 3HD1 LEU 57 3.326 -6.198 -3.049 436 HD21 LEU 57 3HD2 LEU 57 0.706 -6.377 -6.444 437 HD22 LEU 57 1HD2 LEU 57 0.306 -5.268 -5.137 438 HD23 LEU 57 2HD2 LEU 57 0.175 -7.011 -4.893 439 H GLU 58 H GLU 58 5.783 -5.944 -7.519 440 HA GLU 58 HA GLU 58 6.019 -8.716 -7.453 441 HB2 GLU 58 2HB GLU 58 7.985 -8.374 -8.970 442 HB3 GLU 58 1HB GLU 58 6.566 -7.453 -9.452 443 HG2 GLU 58 2HG GLU 58 7.537 -5.416 -8.420 444 HG3 GLU 58 1HG GLU 58 8.967 -6.335 -7.962 445 H LYS 59 H LYS 59 8.059 -6.249 -5.986 446 HA LYS 59 HA LYS 59 10.024 -7.987 -4.856 447 HB2 LYS 59 2HB LYS 59 10.652 -5.701 -5.312 448 HB3 LYS 59 1HB LYS 59 9.290 -5.070 -4.396 449 HG2 LYS 59 2HG LYS 59 10.332 -5.905 -2.302 450 HG3 LYS 59 1HG LYS 59 11.701 -6.510 -3.240 451 HD2 LYS 59 2HD LYS 59 12.308 -4.241 -3.908 452 HD3 LYS 59 1HD LYS 59 10.864 -3.585 -3.132 453 HE2 LYS 59 2HE LYS 59 12.911 -3.248 -1.766 454 HE3 LYS 59 1HE LYS 59 11.706 -4.227 -0.931 455 HZ1 LYS 59 3HZ LYS 59 12.941 -6.195 -1.451 456 HZ2 LYS 59 1HZ LYS 59 13.980 -5.083 -0.720 457 HZ3 LYS 59 2HZ LYS 59 14.043 -5.328 -2.391 458 H TRP 60 H TRP 60 7.165 -6.269 -3.559 459 HA TRP 60 HA TRP 60 7.613 -6.861 -0.834 460 HB2 TRP 60 2HB TRP 60 5.082 -6.026 -2.298 461 HB3 TRP 60 1HB TRP 60 5.178 -6.169 -0.545 462 HD1 TRP 60 HD1 TRP 60 8.270 -4.626 -2.150 463 HE1 TRP 60 HE1 TRP 60 8.286 -2.110 -1.670 464 HE3 TRP 60 HE3 TRP 60 3.570 -4.146 -0.229 465 HZ2 TRP 60 HZ2 TRP 60 6.564 -0.172 -0.622 466 HZ3 TRP 60 HZ3 TRP 60 2.833 -1.925 0.506 467 HH2 TRP 60 HH2 TRP 60 4.299 0.032 0.320 468 H THR 61 H THR 61 5.285 -8.344 -3.120 469 HA THR 61 HA THR 61 4.362 -10.481 -1.671 470 HB THR 61 HB THR 61 5.082 -10.436 -4.647 471 HG1 THR 61 HG1 THR 61 2.638 -9.747 -3.327 472 HG21 THR 61 3HG2 THR 61 3.014 -12.151 -3.192 473 HG22 THR 61 1HG2 THR 61 4.534 -12.740 -3.878 474 HG23 THR 61 2HG2 THR 61 3.278 -12.100 -4.936 475 H GLN 62 H GLN 62 7.391 -10.270 -3.534 476 HA GLN 62 HA GLN 62 8.264 -12.943 -3.143 477 HB2 GLN 62 2HB GLN 62 9.043 -11.607 -5.037 478 HB3 GLN 62 1HB GLN 62 9.768 -10.428 -3.960 479 HG2 GLN 62 2HG GLN 62 11.491 -11.795 -4.963 480 HG3 GLN 62 1HG GLN 62 11.420 -12.105 -3.231 481 HE21 GLN 62 1HE2 GLN 62 9.145 -13.508 -5.578 482 HE22 GLN 62 2HE2 GLN 62 9.728 -15.126 -5.409 483 H GLU 63 H GLU 63 8.826 -9.959 -1.299 484 HA GLU 63 HA GLU 63 10.790 -10.725 0.505 485 HB2 GLU 63 2HB GLU 63 8.349 -8.959 0.963 486 HB3 GLU 63 1HB GLU 63 9.706 -9.064 2.073 487 HG2 GLU 63 2HG GLU 63 9.995 -8.129 -0.792 488 HG3 GLU 63 1HG GLU 63 9.618 -7.039 0.540 489 H VAL 64 H VAL 64 7.273 -11.131 0.677 490 HA VAL 64 HA VAL 64 7.189 -12.456 3.198 491 HB VAL 64 HB VAL 64 5.127 -12.461 0.948 492 HG11 VAL 64 1HG1 VAL 64 3.461 -13.058 2.694 493 HG12 VAL 64 2HG1 VAL 64 4.752 -13.187 3.888 494 HG13 VAL 64 3HG1 VAL 64 4.696 -14.307 2.528 495 HG21 VAL 64 3HG2 VAL 64 4.022 -10.619 2.197 496 HG22 VAL 64 1HG2 VAL 64 5.654 -10.172 1.688 497 HG23 VAL 64 2HG2 VAL 64 5.345 -10.620 3.368 498 H ASN 65 H ASN 65 7.010 -13.605 -0.163 499 HA ASN 65 HA ASN 65 6.636 -16.351 0.345 500 HB2 ASN 65 2HB ASN 65 7.737 -14.914 -2.111 501 HB3 ASN 65 1HB ASN 65 7.376 -16.638 -2.082 502 HD21 ASN 65 1HD2 ASN 65 6.222 -14.551 -3.738 503 HD22 ASN 65 2HD2 ASN 65 4.521 -14.593 -3.454 504 H ASP 66 H ASP 66 9.636 -14.488 -0.032 505 HA ASP 66 HA ASP 66 11.316 -16.880 0.049 506 HB2 ASP 66 2HB ASP 66 11.704 -15.094 -1.657 507 HB3 ASP 66 1HB ASP 66 12.006 -13.936 -0.367 508 H GLY 67 H GLY 67 9.956 -14.724 2.225 509 HA2 GLY 67 2HA GLY 67 10.062 -14.614 4.500 510 HA3 GLY 67 1HA GLY 67 11.292 -15.867 4.474 511 H LYS 68 H LYS 68 11.665 -12.824 2.722 512 HA LYS 68 HA LYS 68 13.802 -11.907 4.448 513 HB2 LYS 68 2HB LYS 68 12.445 -10.566 2.076 514 HB3 LYS 68 1HB LYS 68 13.902 -9.982 2.869 515 HG2 LYS 68 2HG LYS 68 13.699 -12.648 1.418 516 HG3 LYS 68 1HG LYS 68 14.264 -11.153 0.678 517 HD2 LYS 68 2HD LYS 68 16.274 -12.214 1.239 518 HD3 LYS 68 1HD LYS 68 16.038 -11.129 2.608 519 HE2 LYS 68 2HE LYS 68 16.780 -13.333 3.376 520 HE3 LYS 68 1HE LYS 68 15.141 -13.027 3.935 521 HZ1 LYS 68 3HZ LYS 68 15.947 -14.760 1.671 522 HZ2 LYS 68 1HZ LYS 68 14.340 -14.380 2.044 523 HZ3 LYS 68 2HZ LYS 68 15.281 -15.252 3.137 524 H ALA 69 H ALA 69 10.383 -11.463 4.247 525 HA ALA 69 HA ALA 69 10.284 -9.611 6.444 526 HB1 ALA 69 3HB ALA 69 9.355 -8.556 3.746 527 HB2 ALA 69 1HB ALA 69 10.834 -8.054 4.567 528 HB3 ALA 69 2HB ALA 69 9.262 -7.716 5.290 529 H THR 70 H THR 70 7.964 -8.864 6.787 530 HA THR 70 HA THR 70 6.208 -11.235 6.494 531 HB THR 70 HB THR 70 5.101 -10.423 8.572 532 HG1 THR 70 HG1 THR 70 6.505 -8.668 9.672 533 HG21 THR 70 3HG2 THR 70 7.010 -11.987 8.819 534 HG22 THR 70 1HG2 THR 70 6.939 -10.854 10.171 535 HG23 THR 70 2HG2 THR 70 8.127 -10.620 8.888 536 H THR 71 H THR 71 3.889 -10.821 6.378 537 HA THR 71 HA THR 71 3.072 -8.846 4.507 538 HB THR 71 HB THR 71 0.710 -9.546 5.108 539 HG1 THR 71 HG1 THR 71 0.650 -11.468 6.530 540 HG21 THR 71 3HG2 THR 71 1.932 -10.757 3.337 541 HG22 THR 71 1HG2 THR 71 0.885 -11.850 4.244 542 HG23 THR 71 2HG2 THR 71 2.624 -11.845 4.543 543 H GLU 72 H GLU 72 3.061 -8.978 8.042 544 HA GLU 72 HA GLU 72 1.441 -6.728 8.556 545 HB2 GLU 72 2HB GLU 72 2.026 -8.391 10.298 546 HB3 GLU 72 1HB GLU 72 3.707 -7.866 10.252 547 HG2 GLU 72 2HG GLU 72 3.061 -5.653 11.096 548 HG3 GLU 72 1HG GLU 72 1.363 -6.109 11.048 549 H GLN 73 H GLN 73 4.922 -7.027 7.887 550 HA GLN 73 HA GLN 73 5.707 -4.408 8.585 551 HB2 GLN 73 2HB GLN 73 7.286 -6.302 8.227 552 HB3 GLN 73 1HB GLN 73 6.988 -6.214 6.492 553 HG2 GLN 73 2HG GLN 73 7.962 -3.957 6.409 554 HG3 GLN 73 1HG GLN 73 8.171 -3.961 8.158 555 HE21 GLN 73 1HE2 GLN 73 9.396 -5.146 5.132 556 HE22 GLN 73 2HE2 GLN 73 10.873 -5.790 5.751 557 H TYR 74 H TYR 74 4.193 -5.640 5.688 558 HA TYR 74 HA TYR 74 4.462 -3.001 4.363 559 HB2 TYR 74 2HB TYR 74 3.841 -5.727 3.147 560 HB3 TYR 74 1HB TYR 74 3.904 -4.209 2.248 561 HD1 TYR 74 HD1 TYR 74 6.158 -2.812 2.641 562 HD2 TYR 74 HD2 TYR 74 5.813 -7.039 3.125 563 HE1 TYR 74 HE1 TYR 74 8.588 -3.031 2.386 564 HE2 TYR 74 HE2 TYR 74 8.240 -7.265 2.853 565 HH TYR 74 HH TYR 74 10.146 -6.126 2.073 566 H PHE 75 H PHE 75 2.035 -5.614 4.405 567 HA PHE 75 HA PHE 75 0.052 -4.037 3.194 568 HB2 PHE 75 2HB PHE 75 -0.133 -6.715 4.603 569 HB3 PHE 75 1HB PHE 75 -1.460 -6.002 3.692 570 HD1 PHE 75 HD1 PHE 75 1.987 -7.403 3.397 571 HD2 PHE 75 HD2 PHE 75 -1.504 -6.117 1.285 572 HE1 PHE 75 HE1 PHE 75 2.863 -8.413 1.329 573 HE2 PHE 75 HE2 PHE 75 -0.625 -7.127 -0.781 574 HZ PHE 75 HZ PHE 75 1.564 -8.271 -0.764 575 H VAL 76 H VAL 76 0.663 -4.346 6.722 576 HA VAL 76 HA VAL 76 -1.876 -3.355 7.583 577 HB VAL 76 HB VAL 76 0.837 -2.763 8.870 578 HG11 VAL 76 1HG1 VAL 76 -1.964 -2.481 10.030 579 HG12 VAL 76 2HG1 VAL 76 -0.874 -1.155 9.618 580 HG13 VAL 76 3HG1 VAL 76 -0.461 -2.261 10.930 581 HG21 VAL 76 3HG2 VAL 76 0.392 -5.175 8.776 582 HG22 VAL 76 1HG2 VAL 76 -1.191 -4.931 9.528 583 HG23 VAL 76 2HG2 VAL 76 0.285 -4.591 10.438 584 H LEU 77 H LEU 77 -2.733 -1.261 7.474 585 HA LEU 77 HA LEU 77 -1.918 0.122 5.175 586 HB2 LEU 77 2HB LEU 77 -3.866 1.032 7.305 587 HB3 LEU 77 1HB LEU 77 -3.703 1.749 5.707 588 HG LEU 77 HG LEU 77 -4.737 -1.034 6.374 589 HD11 LEU 77 1HD1 LEU 77 -6.801 -0.250 5.324 590 HD12 LEU 77 2HD1 LEU 77 -6.083 1.340 5.057 591 HD13 LEU 77 3HD1 LEU 77 -6.359 0.747 6.697 592 HD21 LEU 77 3HD2 LEU 77 -3.353 -1.255 4.387 593 HD22 LEU 77 1HD2 LEU 77 -4.163 0.115 3.623 594 HD23 LEU 77 2HD2 LEU 77 -5.052 -1.376 3.943 595 H LYS 78 H LYS 78 -1.407 1.004 8.611 596 HA LYS 78 HA LYS 78 -0.160 3.505 8.147 597 HB2 LYS 78 2HB LYS 78 0.803 3.282 10.418 598 HB3 LYS 78 1HB LYS 78 -0.904 2.868 10.380 599 HG2 LYS 78 2HG LYS 78 -0.343 0.469 10.411 600 HG3 LYS 78 1HG LYS 78 1.378 0.874 10.465 601 HD2 LYS 78 2HD LYS 78 1.046 1.999 12.640 602 HD3 LYS 78 1HD LYS 78 -0.683 1.634 12.572 603 HE2 LYS 78 2HE LYS 78 0.416 0.047 14.042 604 HE3 LYS 78 1HE LYS 78 -0.131 -0.797 12.596 605 HZ1 LYS 78 3HZ LYS 78 2.125 -0.714 11.747 606 HZ2 LYS 78 1HZ LYS 78 2.086 -1.477 13.250 607 HZ3 LYS 78 2HZ LYS 78 2.648 0.113 13.121 608 H ASN 79 H ASN 79 1.201 0.220 8.209 609 HA ASN 79 HA ASN 79 3.956 0.976 7.981 610 HB2 ASN 79 2HB ASN 79 2.531 -1.656 7.390 611 HB3 ASN 79 1HB ASN 79 4.275 -1.452 7.270 612 HD21 ASN 79 1HD2 ASN 79 4.735 -2.914 8.866 613 HD22 ASN 79 2HD2 ASN 79 4.395 -2.651 10.532 614 H LEU 80 H LEU 80 1.569 -0.211 5.668 615 HA LEU 80 HA LEU 80 2.795 -0.056 3.244 616 HB2 LEU 80 2HB LEU 80 0.573 -0.968 3.532 617 HB3 LEU 80 1HB LEU 80 -0.051 0.561 4.111 618 HG LEU 80 HG LEU 80 0.157 1.535 1.841 619 HD11 LEU 80 1HD1 LEU 80 2.051 0.257 0.992 620 HD12 LEU 80 2HD1 LEU 80 0.672 0.131 -0.094 621 HD13 LEU 80 3HD1 LEU 80 1.076 -1.217 0.971 622 HD21 LEU 80 3HD2 LEU 80 -1.960 0.489 2.523 623 HD22 LEU 80 1HD2 LEU 80 -1.410 -1.067 1.892 624 HD23 LEU 80 2HD2 LEU 80 -1.677 0.290 0.795 625 H ALA 81 H ALA 81 1.106 2.523 4.987 626 HA ALA 81 HA ALA 81 1.481 4.627 3.142 627 HB1 ALA 81 3HB ALA 81 1.035 4.771 6.137 628 HB2 ALA 81 1HB ALA 81 -0.222 4.693 4.903 629 HB3 ALA 81 2HB ALA 81 0.828 6.109 5.002 630 H ALA 82 H ALA 82 3.485 3.359 5.728 631 HA ALA 82 HA ALA 82 5.370 5.531 5.823 632 HB1 ALA 82 3HB ALA 82 6.681 4.058 7.288 633 HB2 ALA 82 1HB ALA 82 5.646 2.685 6.876 634 HB3 ALA 82 2HB ALA 82 4.987 4.055 7.772 635 H ARG 83 H ARG 83 5.373 2.284 4.336 636 HA ARG 83 HA ARG 83 7.909 2.346 3.149 637 HB2 ARG 83 2HB ARG 83 5.408 0.874 2.194 638 HB3 ARG 83 1HB ARG 83 7.052 0.531 1.671 639 HG2 ARG 83 2HG ARG 83 5.859 0.053 4.421 640 HG3 ARG 83 1HG ARG 83 6.417 -1.151 3.260 641 HD2 ARG 83 2HD ARG 83 8.120 0.822 4.810 642 HD3 ARG 83 1HD ARG 83 8.074 -0.929 5.024 643 HE ARG 83 HE ARG 83 8.829 -0.550 2.407 644 HH11 ARG 83 1HH1 ARG 83 10.156 0.507 5.484 645 HH12 ARG 83 2HH1 ARG 83 11.791 0.541 4.900 646 HH21 ARG 83 1HH2 ARG 83 10.983 -0.453 1.651 647 HH22 ARG 83 2HH2 ARG 83 12.251 -0.005 2.748 648 H ILE 84 H ILE 84 4.746 3.327 1.890 649 HA ILE 84 HA ILE 84 5.660 4.189 -0.678 650 HB ILE 84 HB ILE 84 3.111 4.823 0.862 651 HG12 ILE 84 2HG1 ILE 84 3.650 2.964 -1.498 652 HG13 ILE 84 1HG1 ILE 84 3.431 2.460 0.175 653 HG21 ILE 84 1HG2 ILE 84 3.701 5.558 -2.034 654 HG22 ILE 84 2HG2 ILE 84 3.488 6.693 -0.701 655 HG23 ILE 84 3HG2 ILE 84 2.132 5.703 -1.236 656 HD11 ILE 84 3HD1 ILE 84 1.450 2.065 -1.162 657 HD12 ILE 84 1HD1 ILE 84 1.333 3.781 -1.543 658 HD13 ILE 84 2HD1 ILE 84 1.127 3.225 0.123 659 H ASP 85 H ASP 85 4.996 5.943 2.375 660 HA ASP 85 HA ASP 85 5.837 8.492 1.742 661 HB2 ASP 85 2HB ASP 85 4.940 7.886 3.938 662 HB3 ASP 85 1HB ASP 85 6.364 6.916 4.295 663 H GLU 86 H GLU 86 7.860 5.678 2.472 664 HA GLU 86 HA GLU 86 10.375 6.954 2.364 665 HB2 GLU 86 2HB GLU 86 9.872 4.712 3.410 666 HB3 GLU 86 1HB GLU 86 9.679 4.047 1.797 667 HG2 GLU 86 2HG GLU 86 11.862 3.464 2.643 668 HG3 GLU 86 1HG GLU 86 12.035 4.587 1.294 669 H LEU 87 H LEU 87 8.464 5.167 -0.084 670 HA LEU 87 HA LEU 87 10.270 5.300 -2.232 671 HB2 LEU 87 2HB LEU 87 7.241 5.058 -2.288 672 HB3 LEU 87 1HB LEU 87 8.272 4.790 -3.687 673 HG LEU 87 HG LEU 87 8.295 3.119 -1.137 674 HD11 LEU 87 1HD1 LEU 87 6.254 2.759 -2.394 675 HD12 LEU 87 2HD1 LEU 87 7.291 1.338 -2.482 676 HD13 LEU 87 3HD1 LEU 87 7.175 2.432 -3.865 677 HD21 LEU 87 3HD2 LEU 87 9.789 1.578 -2.343 678 HD22 LEU 87 1HD2 LEU 87 10.519 3.167 -2.141 679 HD23 LEU 87 2HD2 LEU 87 9.856 2.698 -3.709 680 H VAL 88 H VAL 88 7.671 7.557 -1.320 681 HA VAL 88 HA VAL 88 7.870 9.205 -3.670 682 HB VAL 88 HB VAL 88 6.325 10.762 -2.604 683 HG11 VAL 88 1HG1 VAL 88 5.291 8.757 -3.554 684 HG12 VAL 88 2HG1 VAL 88 4.390 9.283 -2.133 685 HG13 VAL 88 3HG1 VAL 88 5.481 7.901 -2.023 686 HG21 VAL 88 3HG2 VAL 88 6.677 9.201 -0.008 687 HG22 VAL 88 1HG2 VAL 88 5.502 10.498 -0.268 688 HG23 VAL 88 2HG2 VAL 88 7.229 10.848 -0.310 689 H ALA 89 H ALA 89 9.303 9.209 -0.475 690 HA ALA 89 HA ALA 89 10.595 11.763 -0.658 691 HB1 ALA 89 3HB ALA 89 11.232 9.383 1.120 692 HB2 ALA 89 1HB ALA 89 10.119 10.698 1.518 693 HB3 ALA 89 2HB ALA 89 11.845 11.027 1.334 694 H ALA 90 H ALA 90 11.596 8.385 -1.199 695 HA ALA 90 HA ALA 90 14.244 8.720 -1.884 696 HB1 ALA 90 3HB ALA 90 14.094 6.519 -2.967 697 HB2 ALA 90 1HB ALA 90 12.330 6.623 -2.941 698 HB3 ALA 90 2HB ALA 90 13.231 6.533 -1.426 699 H LYS 91 H LYS 91 11.389 8.790 -4.064 700 HA LYS 91 HA LYS 91 12.864 9.191 -6.446 701 HB2 LYS 91 2HB LYS 91 10.861 9.488 -7.585 702 HB3 LYS 91 1HB LYS 91 10.297 8.602 -6.178 703 HG2 LYS 91 2HG LYS 91 9.335 10.589 -5.210 704 HG3 LYS 91 1HG LYS 91 10.136 11.632 -6.386 705 HD2 LYS 91 2HD LYS 91 8.770 10.503 -8.197 706 HD3 LYS 91 1HD LYS 91 7.887 9.661 -6.927 707 HE2 LYS 91 2HE LYS 91 6.609 11.593 -7.669 708 HE3 LYS 91 1HE LYS 91 7.159 11.863 -6.014 709 HZ1 LYS 91 3HZ LYS 91 8.902 13.288 -6.826 710 HZ2 LYS 91 1HZ LYS 91 7.427 13.815 -7.456 711 HZ3 LYS 91 2HZ LYS 91 8.504 12.962 -8.437 712 H GLY 92 H GLY 92 11.531 11.422 -4.042 713 HA2 GLY 92 2HA GLY 92 12.354 13.848 -5.355 714 HA3 GLY 92 1HA GLY 92 11.751 13.683 -3.716 715 H ALA 93 H ALA 93 14.057 11.550 -3.529 716 HA ALA 93 HA ALA 93 15.971 13.258 -2.205 717 HB1 ALA 93 3HB ALA 93 17.181 11.175 -1.712 718 HB2 ALA 93 1HB ALA 93 16.156 10.295 -2.851 719 HB3 ALA 93 2HB ALA 93 15.457 10.981 -1.384 720 H LEU 94 H LEU 94 15.768 11.556 -5.276 721 HA LEU 94 HA LEU 94 18.354 12.612 -6.204 722 HB2 LEU 94 2HB LEU 94 16.335 10.790 -7.598 723 HB3 LEU 94 1HB LEU 94 17.915 11.236 -8.233 724 HG LEU 94 HG LEU 94 17.405 9.563 -5.737 725 HD11 LEU 94 1HD1 LEU 94 18.414 7.727 -7.003 726 HD12 LEU 94 2HD1 LEU 94 18.557 8.764 -8.427 727 HD13 LEU 94 3HD1 LEU 94 16.963 8.337 -7.796 728 HD21 LEU 94 3HD2 LEU 94 20.050 10.421 -6.962 729 HD22 LEU 94 1HD2 LEU 94 19.856 9.242 -5.657 730 HD23 LEU 94 2HD2 LEU 94 19.395 10.921 -5.399 731 H GLU 95 H GLU 95 14.876 12.934 -6.757 732 HA GLU 95 HA GLU 95 15.024 14.774 -8.959 733 HB2 GLU 95 2HB GLU 95 13.062 13.293 -8.596 734 HB3 GLU 95 1HB GLU 95 12.717 14.110 -7.083 735 HG2 GLU 95 2HG GLU 95 12.289 16.211 -8.393 736 HG3 GLU 95 1HG GLU 95 12.485 15.266 -9.873 737 H HIS 96 H HIS 96 16.512 16.291 -8.153 738 HA HIS 96 HA HIS 96 15.901 17.944 -5.845 739 HB2 HIS 96 2HB HIS 96 17.985 19.172 -6.437 740 HB3 HIS 96 1HB HIS 96 18.253 17.443 -6.312 741 HD1 HIS 96 HD1 HIS 96 18.319 20.272 -8.748 742 HD2 HIS 96 HD2 HIS 96 18.983 16.169 -8.716 743 HE1 HIS 96 HE1 HIS 96 19.475 19.759 -10.916 744 HE2 HIS 96 HE2 HIS 96 19.860 17.272 -10.880 745 H HIS 97 H HIS 97 15.822 20.350 -6.075 746 HA HIS 97 HA HIS 97 13.613 21.089 -7.692 747 HB2 HIS 97 2HB HIS 97 15.505 22.714 -5.963 748 HB3 HIS 97 1HB HIS 97 14.184 23.466 -6.854 749 HD1 HIS 97 HD1 HIS 97 11.990 23.536 -5.702 750 HD2 HIS 97 HD2 HIS 97 14.508 20.680 -4.032 751 HE1 HIS 97 HE1 HIS 97 10.764 22.650 -3.698 752 HE2 HIS 97 HE2 HIS 97 12.338 20.977 -2.661 753 H HIS 98 H HIS 98 13.768 21.084 -9.776 754 HA HIS 98 HA HIS 98 15.837 22.642 -11.213 755 HB2 HIS 98 2HB HIS 98 16.354 20.184 -11.317 756 HB3 HIS 98 1HB HIS 98 14.755 19.875 -11.982 757 HD1 HIS 98 HD1 HIS 98 18.149 21.195 -12.889 758 HD2 HIS 98 HD2 HIS 98 14.500 20.476 -14.751 759 HE1 HIS 98 HE1 HIS 98 18.609 21.338 -15.351 760 HE2 HIS 98 HE2 HIS 98 16.364 21.074 -16.447 761 H HIS 99 H HIS 99 15.084 23.506 -13.239 762 HA HIS 99 HA HIS 99 12.433 24.477 -13.258 763 HB2 HIS 99 2HB HIS 99 14.646 24.531 -15.326 764 HB3 HIS 99 1HB HIS 99 13.050 25.169 -15.704 765 HD1 HIS 99 HD1 HIS 99 12.394 27.404 -14.722 766 HD2 HIS 99 HD2 HIS 99 16.080 26.051 -13.365 767 HE1 HIS 99 HE1 HIS 99 13.419 29.353 -13.516 768 HE2 HIS 99 HE2 HIS 99 15.673 28.527 -12.735 769 H HIS 100 H HIS 100 10.777 23.146 -13.418 770 HA HIS 100 HA HIS 100 10.574 21.222 -15.676 771 HB2 HIS 100 2HB HIS 100 9.321 19.706 -14.172 772 HB3 HIS 100 1HB HIS 100 10.924 20.023 -13.519 773 HD1 HIS 100 HD1 HIS 100 7.350 21.280 -13.040 774 HD2 HIS 100 HD2 HIS 100 10.865 20.790 -10.889 775 HE1 HIS 100 HE1 HIS 100 6.781 21.893 -10.687 776 HE2 HIS 100 HE2 HIS 100 8.947 21.719 -9.430 777 H HIS 101 H HIS 101 9.673 24.076 -15.271 778 HA HIS 101 HA HIS 101 7.960 25.461 -15.667 779 HB2 HIS 101 2HB HIS 101 7.150 23.935 -17.433 780 HB3 HIS 101 1HB HIS 101 6.284 22.983 -16.234 781 HD1 HIS 101 HD1 HIS 101 6.126 26.189 -18.150 782 HD2 HIS 101 HD2 HIS 101 3.846 24.120 -15.357 783 HE1 HIS 101 HE1 HIS 101 3.888 27.331 -18.121 784 HE2 HIS 101 HE2 HIS 101 2.612 26.197 -16.266 Start of MODEL 4 1 H1 MET 1 1H MET 1 -3.224 19.389 7.478 2 H2 MET 1 2H MET 1 -1.764 20.238 7.450 3 H3 MET 1 3H MET 1 -1.816 18.673 8.083 4 HA MET 1 HA MET 1 -2.365 19.412 5.278 5 HB2 MET 1 2HB MET 1 -0.203 18.330 4.744 6 HB3 MET 1 1HB MET 1 0.013 19.702 5.817 7 HG2 MET 1 2HG MET 1 0.316 18.203 7.723 8 HG3 MET 1 1HG MET 1 0.015 16.806 6.693 9 HE1 MET 1 3HE MET 1 2.152 20.037 5.725 10 HE2 MET 1 1HE MET 1 3.759 19.516 6.227 11 HE3 MET 1 2HE MET 1 2.509 19.811 7.438 12 H THR 2 H THR 2 -3.019 17.735 3.948 13 HA THR 2 HA THR 2 -4.118 15.342 5.019 14 HB THR 2 HB THR 2 -3.375 15.935 2.107 15 HG1 THR 2 HG1 THR 2 -5.773 16.415 2.117 16 HG21 THR 2 3HG2 THR 2 -3.862 13.533 2.523 17 HG22 THR 2 1HG2 THR 2 -5.129 14.281 1.545 18 HG23 THR 2 2HG2 THR 2 -5.405 13.971 3.259 19 H SER 3 H SER 3 -2.890 13.720 5.818 20 HA SER 3 HA SER 3 -0.068 13.500 5.304 21 HB2 SER 3 2HB SER 3 -1.932 11.693 6.903 22 HB3 SER 3 1HB SER 3 -0.165 11.638 6.943 23 HG SER 3 HG SER 3 -1.209 14.139 7.404 24 H THR 4 H THR 4 0.979 11.425 4.738 25 HA THR 4 HA THR 4 0.310 10.457 2.215 26 HB THR 4 HB THR 4 1.981 8.884 4.224 27 HG1 THR 4 HG1 THR 4 3.692 10.251 3.732 28 HG21 THR 4 3HG2 THR 4 1.603 7.799 2.006 29 HG22 THR 4 1HG2 THR 4 3.300 8.243 2.234 30 HG23 THR 4 2HG2 THR 4 2.261 9.225 1.201 31 H PHE 5 H PHE 5 -0.659 9.340 5.406 32 HA PHE 5 HA PHE 5 -1.627 6.777 4.745 33 HB2 PHE 5 2HB PHE 5 -1.297 7.299 7.080 34 HB3 PHE 5 1HB PHE 5 -2.412 8.661 6.999 35 HD1 PHE 5 HD1 PHE 5 -2.383 4.931 6.427 36 HD2 PHE 5 HD2 PHE 5 -4.629 8.317 7.762 37 HE1 PHE 5 HE1 PHE 5 -4.264 3.475 7.008 38 HE2 PHE 5 HE2 PHE 5 -6.503 6.833 8.343 39 HZ PHE 5 HZ PHE 5 -6.322 4.409 7.963 40 H ASP 6 H ASP 6 -3.351 9.885 4.987 41 HA ASP 6 HA ASP 6 -5.932 8.931 4.341 42 HB2 ASP 6 2HB ASP 6 -5.366 11.164 5.412 43 HB3 ASP 6 1HB ASP 6 -4.852 11.739 3.836 44 H ARG 7 H ARG 7 -3.242 9.995 2.368 45 HA ARG 7 HA ARG 7 -4.516 10.106 -0.159 46 HB2 ARG 7 2HB ARG 7 -1.613 9.718 0.650 47 HB3 ARG 7 1HB ARG 7 -2.112 9.833 -1.035 48 HG2 ARG 7 2HG ARG 7 -2.508 11.992 1.072 49 HG3 ARG 7 1HG ARG 7 -1.257 11.987 -0.180 50 HD2 ARG 7 2HD ARG 7 -3.025 12.014 -1.918 51 HD3 ARG 7 1HD ARG 7 -4.257 12.055 -0.651 52 HE ARG 7 HE ARG 7 -2.249 14.202 -0.773 53 HH11 ARG 7 1HH1 ARG 7 -5.599 13.236 -1.089 54 HH12 ARG 7 2HH1 ARG 7 -6.186 14.859 -1.211 55 HH21 ARG 7 1HH2 ARG 7 -3.035 16.344 -0.920 56 HH22 ARG 7 2HH2 ARG 7 -4.735 16.617 -1.118 57 H VAL 8 H VAL 8 -2.523 7.496 1.319 58 HA VAL 8 HA VAL 8 -2.898 5.563 -0.715 59 HB VAL 8 HB VAL 8 -2.331 5.093 2.253 60 HG11 VAL 8 1HG1 VAL 8 -3.085 3.010 1.161 61 HG12 VAL 8 2HG1 VAL 8 -1.371 2.912 1.562 62 HG13 VAL 8 3HG1 VAL 8 -1.870 3.207 -0.107 63 HG21 VAL 8 3HG2 VAL 8 -0.651 6.564 1.218 64 HG22 VAL 8 1HG2 VAL 8 -0.374 5.382 -0.059 65 HG23 VAL 8 2HG2 VAL 8 0.058 5.000 1.611 66 H ALA 9 H ALA 9 -4.740 6.372 2.129 67 HA ALA 9 HA ALA 9 -6.406 4.090 2.286 68 HB1 ALA 9 3HB ALA 9 -5.939 5.528 4.227 69 HB2 ALA 9 1HB ALA 9 -7.677 5.412 3.940 70 HB3 ALA 9 2HB ALA 9 -6.796 6.865 3.460 71 H THR 10 H THR 10 -6.816 7.332 0.780 72 HA THR 10 HA THR 10 -9.523 6.852 -0.061 73 HB THR 10 HB THR 10 -8.585 9.180 0.296 74 HG1 THR 10 HG1 THR 10 -10.095 8.349 -1.900 75 HG21 THR 10 3HG2 THR 10 -7.386 10.272 -1.572 76 HG22 THR 10 1HG2 THR 10 -7.282 8.723 -2.410 77 HG23 THR 10 2HG2 THR 10 -6.438 8.957 -0.879 78 H ILE 11 H ILE 11 -6.341 6.279 -1.498 79 HA ILE 11 HA ILE 11 -7.132 5.591 -4.126 80 HB ILE 11 HB ILE 11 -4.845 4.484 -2.429 81 HG12 ILE 11 2HG1 ILE 11 -4.588 6.867 -2.971 82 HG13 ILE 11 1HG1 ILE 11 -3.391 5.939 -3.866 83 HG21 ILE 11 1HG2 ILE 11 -3.838 3.547 -4.513 84 HG22 ILE 11 2HG2 ILE 11 -5.320 3.946 -5.387 85 HG23 ILE 11 3HG2 ILE 11 -5.359 2.765 -4.078 86 HD11 ILE 11 3HD1 ILE 11 -4.784 6.118 -5.878 87 HD12 ILE 11 1HD1 ILE 11 -4.341 7.690 -5.219 88 HD13 ILE 11 2HD1 ILE 11 -5.967 7.063 -4.965 89 H ILE 12 H ILE 12 -6.739 3.550 -1.233 90 HA ILE 12 HA ILE 12 -7.613 1.126 -2.441 91 HB ILE 12 HB ILE 12 -7.354 1.903 0.499 92 HG12 ILE 12 2HG1 ILE 12 -5.456 0.444 -1.391 93 HG13 ILE 12 1HG1 ILE 12 -5.243 2.077 -0.776 94 HG21 ILE 12 1HG2 ILE 12 -7.644 -0.887 -0.681 95 HG22 ILE 12 2HG2 ILE 12 -8.839 -0.049 0.310 96 HG23 ILE 12 3HG2 ILE 12 -7.291 -0.517 1.010 97 HD11 ILE 12 3HD1 ILE 12 -3.787 0.523 0.342 98 HD12 ILE 12 1HD1 ILE 12 -5.158 -0.465 0.839 99 HD13 ILE 12 2HD1 ILE 12 -4.967 1.170 1.482 100 H ALA 13 H ALA 13 -9.252 3.703 -0.720 101 HA ALA 13 HA ALA 13 -11.784 2.605 -0.266 102 HB1 ALA 13 3HB ALA 13 -11.089 4.794 0.639 103 HB2 ALA 13 1HB ALA 13 -12.614 4.923 -0.239 104 HB3 ALA 13 2HB ALA 13 -11.114 5.484 -0.983 105 H GLU 14 H GLU 14 -10.596 4.440 -3.119 106 HA GLU 14 HA GLU 14 -13.048 4.057 -4.591 107 HB2 GLU 14 2HB GLU 14 -10.381 5.108 -5.620 108 HB3 GLU 14 1HB GLU 14 -11.956 5.297 -6.388 109 HG2 GLU 14 2HG GLU 14 -10.976 6.586 -3.830 110 HG3 GLU 14 1HG GLU 14 -11.351 7.378 -5.354 111 H THR 15 H THR 15 -9.979 2.355 -4.398 112 HA THR 15 HA THR 15 -10.185 0.990 -6.920 113 HB THR 15 HB THR 15 -8.398 0.383 -4.514 114 HG1 THR 15 HG1 THR 15 -8.158 2.453 -5.712 115 HG21 THR 15 3HG2 THR 15 -6.987 -0.871 -6.122 116 HG22 THR 15 1HG2 THR 15 -8.202 -0.621 -7.374 117 HG23 THR 15 2HG2 THR 15 -8.585 -1.602 -5.959 118 H CYS 16 H CYS 16 -10.370 -0.173 -3.533 119 HA CYS 16 HA CYS 16 -11.589 -2.689 -4.417 120 HB2 CYS 16 2HB CYS 16 -10.478 -1.868 -1.701 121 HB3 CYS 16 1HB CYS 16 -10.952 -3.502 -2.185 122 HG CYS 16 HG CYS 16 -8.555 -4.113 -2.861 123 H ASP 17 H ASP 17 -12.866 0.187 -3.753 124 HA ASP 17 HA ASP 17 -14.733 1.081 -2.905 125 HB2 ASP 17 2HB ASP 17 -15.732 -0.435 -4.601 126 HB3 ASP 17 1HB ASP 17 -15.875 -1.704 -3.391 127 H ILE 18 H ILE 18 -13.430 1.155 -0.883 128 HA ILE 18 HA ILE 18 -14.808 -0.249 1.333 129 HB ILE 18 HB ILE 18 -11.909 0.731 1.464 130 HG12 ILE 18 2HG1 ILE 18 -12.884 -2.125 0.979 131 HG13 ILE 18 1HG1 ILE 18 -12.034 -1.119 -0.187 132 HG21 ILE 18 1HG2 ILE 18 -11.788 -0.603 3.544 133 HG22 ILE 18 2HG2 ILE 18 -13.469 -1.101 3.345 134 HG23 ILE 18 3HG2 ILE 18 -13.082 0.594 3.646 135 HD11 ILE 18 3HD1 ILE 18 -10.059 -1.143 1.289 136 HD12 ILE 18 1HD1 ILE 18 -10.542 -2.753 0.754 137 HD13 ILE 18 2HD1 ILE 18 -10.922 -2.218 2.391 138 HA PRO 19 HA PRO 19 -16.056 4.051 2.299 139 HB2 PRO 19 2HB PRO 19 -16.698 2.763 4.956 140 HB3 PRO 19 1HB PRO 19 -17.705 3.814 3.946 141 HG2 PRO 19 2HG PRO 19 -18.177 1.195 4.016 142 HG3 PRO 19 1HG PRO 19 -18.270 2.068 2.473 143 HD2 PRO 19 2HD PRO 19 -16.057 0.307 3.526 144 HD3 PRO 19 1HD PRO 19 -16.739 0.397 1.884 145 H ARG 20 H ARG 20 -14.985 5.734 3.268 146 HA ARG 20 HA ARG 20 -12.341 5.465 4.189 147 HB2 ARG 20 2HB ARG 20 -14.289 7.801 4.406 148 HB3 ARG 20 1HB ARG 20 -12.581 7.921 4.819 149 HG2 ARG 20 2HG ARG 20 -13.634 7.182 2.061 150 HG3 ARG 20 1HG ARG 20 -13.112 8.799 2.544 151 HD2 ARG 20 2HD ARG 20 -11.354 6.309 2.498 152 HD3 ARG 20 1HD ARG 20 -11.346 7.592 1.286 153 HE ARG 20 HE ARG 20 -10.417 9.085 2.918 154 HH11 ARG 20 1HH1 ARG 20 -10.487 5.753 3.999 155 HH12 ARG 20 2HH1 ARG 20 -9.272 6.006 5.204 156 HH21 ARG 20 1HH2 ARG 20 -8.809 9.380 4.489 157 HH22 ARG 20 2HH2 ARG 20 -8.323 8.037 5.476 158 H GLU 21 H GLU 21 -15.374 5.753 5.931 159 HA GLU 21 HA GLU 21 -14.446 6.188 8.555 160 HB2 GLU 21 2HB GLU 21 -16.706 5.434 9.257 161 HB3 GLU 21 1HB GLU 21 -16.773 6.555 7.899 162 HG2 GLU 21 2HG GLU 21 -16.995 4.542 6.369 163 HG3 GLU 21 1HG GLU 21 -17.170 3.546 7.811 164 H THR 22 H THR 22 -14.886 3.189 6.709 165 HA THR 22 HA THR 22 -14.393 1.454 9.001 166 HB THR 22 HB THR 22 -14.619 -0.419 7.338 167 HG1 THR 22 HG1 THR 22 -13.928 1.034 5.514 168 HG21 THR 22 3HG2 THR 22 -16.617 0.381 8.538 169 HG22 THR 22 1HG2 THR 22 -17.034 -0.122 6.897 170 HG23 THR 22 2HG2 THR 22 -16.897 1.594 7.288 171 H ILE 23 H ILE 23 -12.513 3.059 6.661 172 HA ILE 23 HA ILE 23 -10.221 1.281 6.723 173 HB ILE 23 HB ILE 23 -10.592 4.127 5.678 174 HG12 ILE 23 2HG1 ILE 23 -10.297 1.491 4.163 175 HG13 ILE 23 1HG1 ILE 23 -11.817 2.332 4.426 176 HG21 ILE 23 1HG2 ILE 23 -8.149 2.354 5.393 177 HG22 ILE 23 2HG2 ILE 23 -8.251 3.841 6.334 178 HG23 ILE 23 3HG2 ILE 23 -8.394 3.897 4.577 179 HD11 ILE 23 3HD1 ILE 23 -9.485 3.317 2.793 180 HD12 ILE 23 1HD1 ILE 23 -10.974 4.224 3.094 181 HD13 ILE 23 2HD1 ILE 23 -11.029 2.706 2.199 182 H THR 24 H THR 24 -9.107 1.108 8.585 183 HA THR 24 HA THR 24 -8.433 3.547 10.147 184 HB THR 24 HB THR 24 -8.125 2.060 12.127 185 HG1 THR 24 HG1 THR 24 -9.200 -0.138 11.760 186 HG21 THR 24 3HG2 THR 24 -10.874 1.751 10.860 187 HG22 THR 24 1HG2 THR 24 -10.330 3.133 11.815 188 HG23 THR 24 2HG2 THR 24 -10.503 1.549 12.574 189 HA PRO 25 HA PRO 25 -4.075 2.923 9.267 190 HB2 PRO 25 2HB PRO 25 -3.588 3.050 12.246 191 HB3 PRO 25 1HB PRO 25 -2.809 3.957 10.938 192 HG2 PRO 25 2HG PRO 25 -4.630 5.152 12.445 193 HG3 PRO 25 1HG PRO 25 -4.640 5.416 10.687 194 HD2 PRO 25 2HD PRO 25 -6.417 3.620 12.342 195 HD3 PRO 25 1HD PRO 25 -6.847 4.691 10.989 196 H GLU 26 H GLU 26 -5.524 0.943 11.778 197 HA GLU 26 HA GLU 26 -3.343 -0.999 11.831 198 HB2 GLU 26 2HB GLU 26 -4.681 -2.088 13.641 199 HB3 GLU 26 1HB GLU 26 -4.303 -0.400 13.973 200 HG2 GLU 26 2HG GLU 26 -6.564 0.271 13.355 201 HG3 GLU 26 1HG GLU 26 -6.965 -1.382 12.891 202 H SER 27 H SER 27 -5.997 -0.571 9.821 203 HA SER 27 HA SER 27 -6.770 -3.310 9.412 204 HB2 SER 27 2HB SER 27 -6.977 -0.944 7.484 205 HB3 SER 27 1HB SER 27 -7.851 -2.474 7.353 206 HG SER 27 HG SER 27 -8.122 -1.173 9.772 207 H HIS 28 H HIS 28 -5.697 -4.857 8.315 208 HA HIS 28 HA HIS 28 -3.274 -4.234 6.742 209 HB2 HIS 28 2HB HIS 28 -3.164 -5.947 8.575 210 HB3 HIS 28 1HB HIS 28 -4.360 -6.907 7.724 211 HD2 HIS 28 HD2 HIS 28 -0.698 -6.826 8.144 212 HE1 HIS 28 HE1 HIS 28 -1.331 -8.594 4.375 213 HE2 HIS 28 HE2 HIS 28 0.189 -8.490 6.396 214 H ALA 29 H ALA 29 -3.290 -4.496 4.521 215 HA ALA 29 HA ALA 29 -5.625 -4.558 3.037 216 HB1 ALA 29 3HB ALA 29 -3.480 -3.720 2.169 217 HB2 ALA 29 1HB ALA 29 -4.222 -4.873 1.055 218 HB3 ALA 29 2HB ALA 29 -2.867 -5.371 2.073 219 H ILE 30 H ILE 30 -3.309 -7.311 3.366 220 HA ILE 30 HA ILE 30 -5.011 -9.070 1.839 221 HB ILE 30 HB ILE 30 -2.537 -9.811 3.460 222 HG12 ILE 30 2HG1 ILE 30 -2.741 -9.005 0.518 223 HG13 ILE 30 1HG1 ILE 30 -1.996 -8.045 1.794 224 HG21 ILE 30 1HG2 ILE 30 -3.895 -11.283 1.169 225 HG22 ILE 30 2HG2 ILE 30 -3.920 -11.764 2.866 226 HG23 ILE 30 3HG2 ILE 30 -2.403 -11.782 1.971 227 HD11 ILE 30 3HD1 ILE 30 -1.032 -10.708 0.752 228 HD12 ILE 30 1HD1 ILE 30 -0.293 -9.806 2.078 229 HD13 ILE 30 2HD1 ILE 30 -0.315 -9.125 0.453 230 H ASP 31 H ASP 31 -4.246 -8.692 5.278 231 HA ASP 31 HA ASP 31 -5.496 -11.177 6.077 232 HB2 ASP 31 2HB ASP 31 -3.492 -10.409 7.243 233 HB3 ASP 31 1HB ASP 31 -4.281 -8.906 7.694 234 H ASP 32 H ASP 32 -6.141 -7.720 6.795 235 HA ASP 32 HA ASP 32 -8.647 -8.326 8.152 236 HB2 ASP 32 2HB ASP 32 -7.152 -6.587 9.047 237 HB3 ASP 32 1HB ASP 32 -7.241 -5.688 7.544 238 H LEU 33 H LEU 33 -7.767 -6.174 5.456 239 HA LEU 33 HA LEU 33 -10.422 -5.724 4.562 240 HB2 LEU 33 2HB LEU 33 -7.783 -5.211 3.141 241 HB3 LEU 33 1HB LEU 33 -9.335 -4.533 2.673 242 HG LEU 33 HG LEU 33 -7.853 -3.929 5.271 243 HD11 LEU 33 1HD1 LEU 33 -8.206 -2.169 2.824 244 HD12 LEU 33 2HD1 LEU 33 -6.711 -2.945 3.347 245 HD13 LEU 33 3HD1 LEU 33 -7.445 -1.697 4.348 246 HD21 LEU 33 3HD2 LEU 33 -10.266 -3.791 5.619 247 HD22 LEU 33 1HD2 LEU 33 -10.442 -2.744 4.206 248 HD23 LEU 33 2HD2 LEU 33 -9.565 -2.176 5.629 249 H GLY 34 H GLY 34 -8.100 -8.226 3.907 250 HA2 GLY 34 2HA GLY 34 -8.487 -10.295 2.929 251 HA3 GLY 34 1HA GLY 34 -10.058 -9.740 2.380 252 H ILE 35 H ILE 35 -7.733 -7.532 1.492 253 HA ILE 35 HA ILE 35 -7.941 -7.983 -1.304 254 HB ILE 35 HB ILE 35 -6.099 -6.172 0.329 255 HG12 ILE 35 2HG1 ILE 35 -8.688 -5.446 -1.121 256 HG13 ILE 35 1HG1 ILE 35 -8.592 -5.779 0.605 257 HG21 ILE 35 1HG2 ILE 35 -5.161 -6.507 -1.925 258 HG22 ILE 35 2HG2 ILE 35 -5.733 -4.856 -1.709 259 HG23 ILE 35 3HG2 ILE 35 -6.693 -6.001 -2.642 260 HD11 ILE 35 3HD1 ILE 35 -7.285 -3.499 -0.872 261 HD12 ILE 35 1HD1 ILE 35 -7.067 -3.845 0.846 262 HD13 ILE 35 2HD1 ILE 35 -8.659 -3.417 0.226 263 H ASP 36 H ASP 36 -7.086 -9.953 -1.925 264 HA ASP 36 HA ASP 36 -4.681 -11.152 -1.099 265 HB2 ASP 36 2HB ASP 36 -6.517 -12.388 -2.204 266 HB3 ASP 36 1HB ASP 36 -6.274 -11.476 -3.682 267 H SER 37 H SER 37 -2.753 -11.576 -2.483 268 HA SER 37 HA SER 37 -1.239 -9.483 -3.349 269 HB2 SER 37 2HB SER 37 0.098 -11.232 -4.593 270 HB3 SER 37 1HB SER 37 -0.319 -11.698 -2.943 271 HG SER 37 HG SER 37 -2.297 -12.610 -4.297 272 H LEU 38 H LEU 38 -3.751 -11.082 -5.229 273 HA LEU 38 HA LEU 38 -2.943 -9.923 -7.767 274 HB2 LEU 38 2HB LEU 38 -5.481 -11.457 -7.085 275 HB3 LEU 38 1HB LEU 38 -4.914 -11.049 -8.698 276 HG LEU 38 HG LEU 38 -3.630 -13.010 -6.762 277 HD11 LEU 38 1HD1 LEU 38 -4.183 -14.708 -8.455 278 HD12 LEU 38 2HD1 LEU 38 -4.981 -13.480 -9.440 279 HD13 LEU 38 3HD1 LEU 38 -5.625 -13.893 -7.849 280 HD21 LEU 38 3HD2 LEU 38 -2.628 -12.142 -9.495 281 HD22 LEU 38 1HD2 LEU 38 -1.983 -13.484 -8.541 282 HD23 LEU 38 2HD2 LEU 38 -1.857 -11.837 -7.935 283 H ASP 39 H ASP 39 -5.479 -9.467 -5.327 284 HA ASP 39 HA ASP 39 -6.969 -7.479 -6.747 285 HB2 ASP 39 2HB ASP 39 -7.773 -8.948 -4.789 286 HB3 ASP 39 1HB ASP 39 -6.889 -7.871 -3.718 287 H PHE 40 H PHE 40 -4.193 -7.437 -4.635 288 HA PHE 40 HA PHE 40 -4.134 -4.624 -4.142 289 HB2 PHE 40 2HB PHE 40 -3.053 -6.514 -2.700 290 HB3 PHE 40 1HB PHE 40 -1.722 -6.453 -3.850 291 HD1 PHE 40 HD2 PHE 40 -3.500 -4.618 -1.182 292 HD2 PHE 40 HD1 PHE 40 -0.201 -4.491 -3.892 293 HE1 PHE 40 HE2 PHE 40 -2.567 -2.692 0.024 294 HE2 PHE 40 HE1 PHE 40 0.725 -2.566 -2.681 295 HZ PHE 40 HZ PHE 40 -0.462 -1.662 -0.726 296 H LEU 41 H LEU 41 -3.145 -6.602 -6.830 297 HA LEU 41 HA LEU 41 -0.971 -5.148 -7.892 298 HB2 LEU 41 2HB LEU 41 -3.151 -6.772 -9.239 299 HB3 LEU 41 1HB LEU 41 -1.862 -6.026 -10.165 300 HG LEU 41 HG LEU 41 -1.387 -8.088 -7.972 301 HD11 LEU 41 1HD1 LEU 41 -2.622 -9.115 -9.840 302 HD12 LEU 41 2HD1 LEU 41 -0.967 -9.714 -9.759 303 HD13 LEU 41 3HD1 LEU 41 -1.414 -8.519 -10.980 304 HD21 LEU 41 3HD2 LEU 41 0.882 -8.215 -8.884 305 HD22 LEU 41 1HD2 LEU 41 0.517 -6.570 -8.372 306 HD23 LEU 41 2HD2 LEU 41 0.493 -6.981 -10.087 307 H ASP 42 H ASP 42 -4.468 -4.653 -8.195 308 HA ASP 42 HA ASP 42 -4.353 -2.510 -10.090 309 HB2 ASP 42 2HB ASP 42 -6.329 -4.097 -9.669 310 HB3 ASP 42 1HB ASP 42 -6.675 -3.157 -8.222 311 H ILE 43 H ILE 43 -4.531 -2.717 -6.555 312 HA ILE 43 HA ILE 43 -4.851 0.039 -5.935 313 HB ILE 43 HB ILE 43 -3.396 -2.105 -4.304 314 HG12 ILE 43 2HG1 ILE 43 -6.306 -1.189 -4.229 315 HG13 ILE 43 1HG1 ILE 43 -5.710 -2.785 -4.677 316 HG21 ILE 43 1HG2 ILE 43 -3.741 -0.651 -2.338 317 HG22 ILE 43 2HG2 ILE 43 -4.463 0.588 -3.367 318 HG23 ILE 43 3HG2 ILE 43 -2.766 0.155 -3.564 319 HD11 ILE 43 3HD1 ILE 43 -6.658 -2.847 -2.480 320 HD12 ILE 43 1HD1 ILE 43 -5.625 -1.527 -1.941 321 HD13 ILE 43 2HD1 ILE 43 -4.920 -3.091 -2.357 322 H ALA 44 H ALA 44 -1.995 -2.009 -6.318 323 HA ALA 44 HA ALA 44 -0.025 -0.114 -5.559 324 HB1 ALA 44 3HB ALA 44 0.350 -2.554 -5.406 325 HB2 ALA 44 1HB ALA 44 1.599 -1.778 -6.385 326 HB3 ALA 44 2HB ALA 44 0.296 -2.678 -7.165 327 H PHE 45 H PHE 45 -1.455 -1.088 -8.608 328 HA PHE 45 HA PHE 45 0.177 0.374 -10.397 329 HB2 PHE 45 2HB PHE 45 -1.502 -1.517 -10.936 330 HB3 PHE 45 1HB PHE 45 -2.761 -0.294 -10.858 331 HD1 PHE 45 HD1 PHE 45 -2.838 1.525 -12.600 332 HD2 PHE 45 HD2 PHE 45 -0.012 -1.675 -12.830 333 HE1 PHE 45 HE1 PHE 45 -2.406 2.066 -14.963 334 HE2 PHE 45 HE2 PHE 45 0.414 -1.125 -15.189 335 HZ PHE 45 HZ PHE 45 -0.779 0.745 -16.256 336 H ALA 46 H ALA 46 -2.871 1.146 -8.753 337 HA ALA 46 HA ALA 46 -3.281 3.758 -9.772 338 HB1 ALA 46 3HB ALA 46 -4.871 4.014 -7.904 339 HB2 ALA 46 1HB ALA 46 -4.218 2.559 -7.139 340 HB3 ALA 46 2HB ALA 46 -5.060 2.444 -8.685 341 H ILE 47 H ILE 47 -1.415 2.523 -7.065 342 HA ILE 47 HA ILE 47 -0.845 5.002 -5.770 343 HB ILE 47 HB ILE 47 0.444 2.248 -5.607 344 HG12 ILE 47 2HG1 ILE 47 -1.216 3.773 -3.546 345 HG13 ILE 47 1HG1 ILE 47 -1.894 2.602 -4.668 346 HG21 ILE 47 1HG2 ILE 47 1.186 4.666 -3.922 347 HG22 ILE 47 2HG2 ILE 47 2.228 3.839 -5.081 348 HG23 ILE 47 3HG2 ILE 47 1.713 3.009 -3.613 349 HD11 ILE 47 3HD1 ILE 47 -1.543 1.700 -2.419 350 HD12 ILE 47 1HD1 ILE 47 0.190 1.976 -2.581 351 HD13 ILE 47 2HD1 ILE 47 -0.624 0.826 -3.644 352 H ASP 48 H ASP 48 0.849 3.066 -8.234 353 HA ASP 48 HA ASP 48 3.207 4.525 -8.542 354 HB2 ASP 48 2HB ASP 48 1.561 3.229 -10.755 355 HB3 ASP 48 1HB ASP 48 3.246 3.719 -10.904 356 H LYS 49 H LYS 49 0.055 5.024 -10.052 357 HA LYS 49 HA LYS 49 0.776 7.211 -11.724 358 HB2 LYS 49 2HB LYS 49 -1.945 6.182 -10.811 359 HB3 LYS 49 1HB LYS 49 -1.706 7.360 -12.100 360 HG2 LYS 49 2HG LYS 49 -0.655 5.733 -13.517 361 HG3 LYS 49 1HG LYS 49 -0.512 4.575 -12.193 362 HD2 LYS 49 2HD LYS 49 -2.322 3.932 -13.731 363 HD3 LYS 49 1HD LYS 49 -2.957 4.309 -12.128 364 HE2 LYS 49 2HE LYS 49 -3.649 6.550 -12.948 365 HE3 LYS 49 1HE LYS 49 -3.027 6.150 -14.549 366 HZ1 LYS 49 3HZ LYS 49 -5.214 4.715 -13.148 367 HZ2 LYS 49 1HZ LYS 49 -4.649 4.379 -14.704 368 HZ3 LYS 49 2HZ LYS 49 -5.422 5.848 -14.381 369 H ALA 50 H ALA 50 -0.950 6.950 -8.636 370 HA ALA 50 HA ALA 50 -1.767 9.664 -8.434 371 HB1 ALA 50 3HB ALA 50 -2.463 9.073 -6.146 372 HB2 ALA 50 1HB ALA 50 -1.571 7.551 -6.261 373 HB3 ALA 50 2HB ALA 50 -2.967 7.838 -7.301 374 H PHE 51 H PHE 51 0.784 7.814 -6.781 375 HA PHE 51 HA PHE 51 1.814 10.174 -5.416 376 HB2 PHE 51 2HB PHE 51 2.655 7.249 -5.307 377 HB3 PHE 51 1HB PHE 51 3.369 8.525 -4.326 378 HD1 PHE 51 HD1 PHE 51 0.207 6.657 -4.962 379 HD2 PHE 51 HD2 PHE 51 2.286 9.297 -2.325 380 HE1 PHE 51 HE1 PHE 51 -1.535 6.333 -3.258 381 HE2 PHE 51 HE2 PHE 51 0.541 8.964 -0.625 382 HZ PHE 51 HZ PHE 51 -1.365 7.483 -1.090 383 H GLY 52 H GLY 52 2.410 8.619 -8.382 384 HA2 GLY 52 2HA GLY 52 3.913 9.056 -10.059 385 HA3 GLY 52 1HA GLY 52 4.509 10.407 -9.107 386 H ILE 53 H ILE 53 4.425 6.971 -8.292 387 HA ILE 53 HA ILE 53 7.385 6.872 -8.101 388 HB ILE 53 HB ILE 53 7.162 5.461 -6.052 389 HG12 ILE 53 2HG1 ILE 53 4.200 6.239 -6.111 390 HG13 ILE 53 1HG1 ILE 53 4.832 4.629 -6.441 391 HG21 ILE 53 1HG2 ILE 53 5.932 8.218 -5.769 392 HG22 ILE 53 2HG2 ILE 53 7.653 7.829 -5.782 393 HG23 ILE 53 3HG2 ILE 53 6.637 7.269 -4.455 394 HD11 ILE 53 3HD1 ILE 53 3.907 4.791 -4.208 395 HD12 ILE 53 1HD1 ILE 53 5.022 6.096 -3.814 396 HD13 ILE 53 2HD1 ILE 53 5.639 4.474 -4.141 397 H LYS 54 H LYS 54 7.912 4.398 -7.536 398 HA LYS 54 HA LYS 54 6.209 2.548 -9.085 399 HB2 LYS 54 2HB LYS 54 8.391 3.049 -10.259 400 HB3 LYS 54 1HB LYS 54 9.260 2.443 -8.850 401 HG2 LYS 54 2HG LYS 54 8.074 0.224 -9.207 402 HG3 LYS 54 1HG LYS 54 7.447 0.884 -10.720 403 HD2 LYS 54 2HD LYS 54 9.389 -0.466 -11.216 404 HD3 LYS 54 1HD LYS 54 9.801 1.229 -11.499 405 HE2 LYS 54 2HE LYS 54 11.046 1.332 -9.412 406 HE3 LYS 54 1HE LYS 54 10.485 -0.277 -8.942 407 HZ1 LYS 54 3HZ LYS 54 11.676 -1.179 -10.862 408 HZ2 LYS 54 1HZ LYS 54 12.709 -0.388 -9.782 409 HZ3 LYS 54 2HZ LYS 54 12.263 0.365 -11.224 410 H LEU 55 H LEU 55 5.108 1.864 -7.256 411 HA LEU 55 HA LEU 55 6.404 0.818 -4.913 412 HB2 LEU 55 2HB LEU 55 4.052 1.735 -4.953 413 HB3 LEU 55 1HB LEU 55 3.554 0.352 -5.910 414 HG LEU 55 HG LEU 55 4.754 -0.010 -3.131 415 HD11 LEU 55 1HD1 LEU 55 2.878 1.520 -2.855 416 HD12 LEU 55 2HD1 LEU 55 2.505 -0.058 -2.168 417 HD13 LEU 55 3HD1 LEU 55 1.812 0.412 -3.725 418 HD21 LEU 55 3HD2 LEU 55 4.567 -2.072 -4.473 419 HD22 LEU 55 1HD2 LEU 55 2.837 -1.795 -4.680 420 HD23 LEU 55 2HD2 LEU 55 3.501 -2.114 -3.074 421 HA PRO 56 HA PRO 56 7.208 -2.970 -7.351 422 HB2 PRO 56 2HB PRO 56 9.377 -3.872 -6.031 423 HB3 PRO 56 1HB PRO 56 9.476 -2.436 -7.063 424 HG2 PRO 56 2HG PRO 56 9.339 -2.621 -4.069 425 HG3 PRO 56 1HG PRO 56 10.257 -1.490 -5.081 426 HD2 PRO 56 2HD PRO 56 7.760 -0.972 -3.852 427 HD3 PRO 56 1HD PRO 56 8.503 -0.000 -5.141 428 H LEU 57 H LEU 57 5.123 -3.700 -6.580 429 HA LEU 57 HA LEU 57 4.729 -5.029 -4.097 430 HB2 LEU 57 2HB LEU 57 2.835 -4.185 -5.467 431 HB3 LEU 57 1HB LEU 57 3.199 -5.369 -6.716 432 HG LEU 57 HG LEU 57 2.669 -7.210 -5.115 433 HD11 LEU 57 1HD1 LEU 57 1.547 -6.703 -2.974 434 HD12 LEU 57 2HD1 LEU 57 1.892 -4.989 -3.204 435 HD13 LEU 57 3HD1 LEU 57 3.217 -6.139 -3.007 436 HD21 LEU 57 3HD2 LEU 57 0.228 -6.906 -5.086 437 HD22 LEU 57 1HD2 LEU 57 0.929 -6.424 -6.628 438 HD23 LEU 57 2HD2 LEU 57 0.430 -5.194 -5.465 439 H GLU 58 H GLU 58 5.923 -6.007 -7.224 440 HA GLU 58 HA GLU 58 5.915 -8.814 -6.973 441 HB2 GLU 58 2HB GLU 58 7.576 -8.758 -8.797 442 HB3 GLU 58 1HB GLU 58 6.223 -7.681 -9.114 443 HG2 GLU 58 2HG GLU 58 7.715 -5.790 -8.191 444 HG3 GLU 58 1HG GLU 58 9.048 -6.936 -8.321 445 H LYS 59 H LYS 59 8.230 -6.352 -5.911 446 HA LYS 59 HA LYS 59 10.184 -8.134 -4.840 447 HB2 LYS 59 2HB LYS 59 10.892 -5.870 -5.338 448 HB3 LYS 59 1HB LYS 59 9.593 -5.182 -4.369 449 HG2 LYS 59 2HG LYS 59 10.685 -6.123 -2.321 450 HG3 LYS 59 1HG LYS 59 12.019 -6.683 -3.332 451 HD2 LYS 59 2HD LYS 59 12.617 -4.402 -3.909 452 HD3 LYS 59 1HD LYS 59 11.182 -3.772 -3.094 453 HE2 LYS 59 2HE LYS 59 13.247 -3.486 -1.742 454 HE3 LYS 59 1HE LYS 59 12.039 -4.479 -0.929 455 HZ1 LYS 59 3HZ LYS 59 14.382 -5.535 -2.417 456 HZ2 LYS 59 1HZ LYS 59 13.268 -6.450 -1.531 457 HZ3 LYS 59 2HZ LYS 59 14.297 -5.367 -0.741 458 H TRP 60 H TRP 60 7.614 -6.125 -3.342 459 HA TRP 60 HA TRP 60 8.207 -6.682 -0.667 460 HB2 TRP 60 2HB TRP 60 5.605 -5.731 -1.926 461 HB3 TRP 60 1HB TRP 60 5.870 -5.797 -0.188 462 HD1 TRP 60 HD1 TRP 60 9.041 -4.627 -1.723 463 HE1 TRP 60 HE1 TRP 60 9.222 -2.073 -1.566 464 HE3 TRP 60 HE3 TRP 60 4.213 -3.524 -0.439 465 HZ2 TRP 60 HZ2 TRP 60 7.589 0.111 -0.966 466 HZ3 TRP 60 HZ3 TRP 60 3.611 -1.165 -0.086 467 HH2 TRP 60 HH2 TRP 60 5.265 0.614 -0.347 468 H THR 61 H THR 61 5.753 -8.144 -2.763 469 HA THR 61 HA THR 61 4.724 -10.050 -1.007 470 HB THR 61 HB THR 61 4.947 -10.203 -4.057 471 HG1 THR 61 HG1 THR 61 3.589 -8.586 -3.966 472 HG21 THR 61 3HG2 THR 61 2.912 -11.615 -3.914 473 HG22 THR 61 1HG2 THR 61 2.975 -11.553 -2.154 474 HG23 THR 61 2HG2 THR 61 4.257 -12.369 -3.055 475 H GLN 62 H GLN 62 7.574 -10.144 -3.109 476 HA GLN 62 HA GLN 62 8.106 -12.948 -2.813 477 HB2 GLN 62 2HB GLN 62 8.837 -11.563 -4.815 478 HB3 GLN 62 1HB GLN 62 10.036 -10.788 -3.788 479 HG2 GLN 62 2HG GLN 62 11.069 -12.554 -5.127 480 HG3 GLN 62 1HG GLN 62 11.141 -12.964 -3.412 481 HE21 GLN 62 1HE2 GLN 62 8.301 -13.322 -5.534 482 HE22 GLN 62 2HE2 GLN 62 8.245 -15.048 -5.460 483 H GLU 63 H GLU 63 9.203 -10.015 -1.166 484 HA GLU 63 HA GLU 63 11.191 -11.056 0.500 485 HB2 GLU 63 2HB GLU 63 9.158 -8.949 1.370 486 HB3 GLU 63 1HB GLU 63 10.793 -9.175 1.987 487 HG2 GLU 63 2HG GLU 63 9.972 -8.102 -0.725 488 HG3 GLU 63 1HG GLU 63 10.703 -7.208 0.599 489 H VAL 64 H VAL 64 7.675 -10.998 0.800 490 HA VAL 64 HA VAL 64 7.465 -12.298 3.315 491 HB VAL 64 HB VAL 64 5.436 -12.157 1.043 492 HG11 VAL 64 1HG1 VAL 64 4.984 -12.868 3.976 493 HG12 VAL 64 2HG1 VAL 64 4.834 -13.965 2.601 494 HG13 VAL 64 3HG1 VAL 64 3.710 -12.619 2.778 495 HG21 VAL 64 3HG2 VAL 64 5.782 -10.349 3.473 496 HG22 VAL 64 1HG2 VAL 64 4.476 -10.232 2.286 497 HG23 VAL 64 2HG2 VAL 64 6.143 -9.927 1.799 498 H ASN 65 H ASN 65 7.347 -13.476 -0.040 499 HA ASN 65 HA ASN 65 6.801 -16.182 0.432 500 HB2 ASN 65 2HB ASN 65 8.332 -14.934 -1.895 501 HB3 ASN 65 1HB ASN 65 7.733 -16.591 -1.875 502 HD21 ASN 65 1HD2 ASN 65 7.078 -14.425 -3.713 503 HD22 ASN 65 2HD2 ASN 65 5.369 -14.209 -3.624 504 H ASP 66 H ASP 66 9.911 -14.501 0.446 505 HA ASP 66 HA ASP 66 11.435 -16.981 0.795 506 HB2 ASP 66 2HB ASP 66 12.219 -15.167 -0.757 507 HB3 ASP 66 1HB ASP 66 12.370 -14.081 0.617 508 H GLY 67 H GLY 67 9.951 -14.564 2.753 509 HA2 GLY 67 2HA GLY 67 9.921 -14.262 5.037 510 HA3 GLY 67 1HA GLY 67 11.122 -15.532 5.213 511 H LYS 68 H LYS 68 11.869 -12.949 3.036 512 HA LYS 68 HA LYS 68 13.944 -11.804 4.655 513 HB2 LYS 68 2HB LYS 68 12.639 -10.800 2.091 514 HB3 LYS 68 1HB LYS 68 14.061 -10.068 2.827 515 HG2 LYS 68 2HG LYS 68 14.074 -12.975 1.986 516 HG3 LYS 68 1HG LYS 68 14.337 -11.689 0.817 517 HD2 LYS 68 2HD LYS 68 16.500 -12.445 1.468 518 HD3 LYS 68 1HD LYS 68 16.272 -10.887 2.254 519 HE2 LYS 68 2HE LYS 68 17.364 -12.500 3.758 520 HE3 LYS 68 1HE LYS 68 15.785 -12.036 4.384 521 HZ1 LYS 68 3HZ LYS 68 16.419 -14.548 2.936 522 HZ2 LYS 68 1HZ LYS 68 14.881 -14.107 3.483 523 HZ3 LYS 68 2HZ LYS 68 16.127 -14.392 4.591 524 H ALA 69 H ALA 69 10.552 -11.243 4.310 525 HA ALA 69 HA ALA 69 10.492 -9.268 6.413 526 HB1 ALA 69 3HB ALA 69 9.562 -8.440 3.633 527 HB2 ALA 69 1HB ALA 69 10.983 -7.809 4.468 528 HB3 ALA 69 2HB ALA 69 9.370 -7.496 5.111 529 H THR 70 H THR 70 8.180 -8.595 6.830 530 HA THR 70 HA THR 70 6.315 -10.847 6.342 531 HB THR 70 HB THR 70 6.801 -10.571 8.726 532 HG1 THR 70 HG1 THR 70 4.694 -11.168 8.369 533 HG21 THR 70 3HG2 THR 70 6.222 -8.533 9.982 534 HG22 THR 70 1HG2 THR 70 5.777 -7.720 8.482 535 HG23 THR 70 2HG2 THR 70 7.453 -8.183 8.767 536 H THR 71 H THR 71 4.095 -10.358 5.975 537 HA THR 71 HA THR 71 3.483 -8.268 4.176 538 HB THR 71 HB THR 71 1.053 -8.926 4.592 539 HG1 THR 71 HG1 THR 71 1.455 -11.214 5.895 540 HG21 THR 71 3HG2 THR 71 2.316 -10.035 2.815 541 HG22 THR 71 1HG2 THR 71 1.217 -11.169 3.598 542 HG23 THR 71 2HG2 THR 71 2.941 -11.212 3.974 543 H GLU 72 H GLU 72 3.141 -8.574 7.665 544 HA GLU 72 HA GLU 72 1.393 -6.440 8.189 545 HB2 GLU 72 2HB GLU 72 2.006 -8.279 9.781 546 HB3 GLU 72 1HB GLU 72 3.582 -7.529 10.004 547 HG2 GLU 72 2HG GLU 72 2.572 -5.577 11.032 548 HG3 GLU 72 1HG GLU 72 0.955 -6.162 10.655 549 H GLN 73 H GLN 73 4.876 -6.476 7.694 550 HA GLN 73 HA GLN 73 5.500 -3.878 8.638 551 HB2 GLN 73 2HB GLN 73 7.203 -5.642 8.282 552 HB3 GLN 73 1HB GLN 73 6.945 -5.545 6.543 553 HG2 GLN 73 2HG GLN 73 7.728 -3.159 6.622 554 HG3 GLN 73 1HG GLN 73 8.079 -3.370 8.337 555 HE21 GLN 73 1HE2 GLN 73 8.674 -5.790 5.825 556 HE22 GLN 73 2HE2 GLN 73 10.394 -5.737 5.941 557 H TYR 74 H TYR 74 4.165 -5.025 5.632 558 HA TYR 74 HA TYR 74 4.404 -2.336 4.413 559 HB2 TYR 74 2HB TYR 74 3.840 -5.015 3.060 560 HB3 TYR 74 1HB TYR 74 3.995 -3.462 2.240 561 HD1 TYR 74 HD1 TYR 74 6.251 -2.206 2.500 562 HD2 TYR 74 HD2 TYR 74 5.807 -6.356 3.402 563 HE1 TYR 74 HE1 TYR 74 8.679 -2.488 2.360 564 HE2 TYR 74 HE2 TYR 74 8.247 -6.639 3.248 565 HH TYR 74 HH TYR 74 10.185 -5.525 2.221 566 H PHE 75 H PHE 75 2.037 -5.011 4.170 567 HA PHE 75 HA PHE 75 0.110 -3.427 2.938 568 HB2 PHE 75 2HB PHE 75 -0.138 -6.156 4.236 569 HB3 PHE 75 1HB PHE 75 -1.359 -5.447 3.184 570 HD1 PHE 75 HD1 PHE 75 2.126 -6.752 3.281 571 HD2 PHE 75 HD2 PHE 75 -1.113 -5.500 0.803 572 HE1 PHE 75 HE1 PHE 75 3.297 -7.639 1.313 573 HE2 PHE 75 HE2 PHE 75 0.061 -6.386 -1.166 574 HZ PHE 75 HZ PHE 75 2.268 -7.450 -0.917 575 H VAL 76 H VAL 76 0.535 -3.854 6.424 576 HA VAL 76 HA VAL 76 -2.078 -2.990 7.217 577 HB VAL 76 HB VAL 76 0.574 -2.500 8.660 578 HG11 VAL 76 1HG1 VAL 76 -1.178 -0.960 9.466 579 HG12 VAL 76 2HG1 VAL 76 -0.797 -2.161 10.699 580 HG13 VAL 76 3HG1 VAL 76 -2.273 -2.316 9.741 581 HG21 VAL 76 3HG2 VAL 76 -0.009 -4.450 10.052 582 HG22 VAL 76 1HG2 VAL 76 0.120 -4.895 8.346 583 HG23 VAL 76 2HG2 VAL 76 -1.467 -4.709 9.087 584 H LEU 77 H LEU 77 -2.946 -0.881 7.171 585 HA LEU 77 HA LEU 77 -2.023 0.560 4.957 586 HB2 LEU 77 2HB LEU 77 -4.086 1.408 7.001 587 HB3 LEU 77 1HB LEU 77 -3.886 2.113 5.403 588 HG LEU 77 HG LEU 77 -4.806 -0.716 6.039 589 HD11 LEU 77 1HD1 LEU 77 -6.902 -0.061 4.977 590 HD12 LEU 77 2HD1 LEU 77 -6.290 1.580 4.745 591 HD13 LEU 77 3HD1 LEU 77 -6.539 0.947 6.376 592 HD21 LEU 77 3HD2 LEU 77 -4.287 0.494 3.305 593 HD22 LEU 77 1HD2 LEU 77 -5.066 -1.060 3.615 594 HD23 LEU 77 2HD2 LEU 77 -3.384 -0.818 4.065 595 H LYS 78 H LYS 78 -1.767 1.440 8.417 596 HA LYS 78 HA LYS 78 -0.522 3.946 8.127 597 HB2 LYS 78 2HB LYS 78 0.405 3.569 10.426 598 HB3 LYS 78 1HB LYS 78 -1.309 3.200 10.309 599 HG2 LYS 78 2HG LYS 78 -0.822 0.796 10.221 600 HG3 LYS 78 1HG LYS 78 0.908 1.133 10.268 601 HD2 LYS 78 2HD LYS 78 0.636 2.111 12.541 602 HD3 LYS 78 1HD LYS 78 -1.089 1.724 12.491 603 HE2 LYS 78 2HE LYS 78 -0.548 -0.679 12.311 604 HE3 LYS 78 1HE LYS 78 1.177 -0.303 12.315 605 HZ1 LYS 78 3HZ LYS 78 0.953 0.557 14.543 606 HZ2 LYS 78 1HZ LYS 78 0.392 -1.037 14.478 607 HZ3 LYS 78 2HZ LYS 78 -0.705 0.246 14.539 608 H ASN 79 H ASN 79 0.866 0.706 8.119 609 HA ASN 79 HA ASN 79 3.624 1.499 8.026 610 HB2 ASN 79 2HB ASN 79 2.260 -1.175 7.457 611 HB3 ASN 79 1HB ASN 79 4.001 -0.951 7.387 612 HD21 ASN 79 1HD2 ASN 79 4.368 -2.444 9.001 613 HD22 ASN 79 2HD2 ASN 79 4.018 -2.131 10.662 614 H LEU 80 H LEU 80 1.295 0.292 5.669 615 HA LEU 80 HA LEU 80 2.719 0.255 3.325 616 HB2 LEU 80 2HB LEU 80 0.428 -0.661 3.673 617 HB3 LEU 80 1HB LEU 80 -0.212 0.968 3.774 618 HG LEU 80 HG LEU 80 0.343 1.354 1.393 619 HD11 LEU 80 1HD1 LEU 80 1.087 -0.497 -0.054 620 HD12 LEU 80 2HD1 LEU 80 1.321 -1.522 1.364 621 HD13 LEU 80 3HD1 LEU 80 2.304 -0.071 1.147 622 HD21 LEU 80 3HD2 LEU 80 -1.363 -0.115 0.418 623 HD22 LEU 80 1HD2 LEU 80 -1.880 0.482 1.992 624 HD23 LEU 80 2HD2 LEU 80 -1.294 -1.177 1.826 625 H ALA 81 H ALA 81 0.919 2.887 4.821 626 HA ALA 81 HA ALA 81 1.362 4.905 2.895 627 HB1 ALA 81 3HB ALA 81 0.841 5.190 5.871 628 HB2 ALA 81 1HB ALA 81 -0.389 5.050 4.613 629 HB3 ALA 81 2HB ALA 81 0.662 6.467 4.663 630 H ALA 82 H ALA 82 3.258 3.768 5.638 631 HA ALA 82 HA ALA 82 5.166 5.933 5.637 632 HB1 ALA 82 3HB ALA 82 5.338 3.191 6.937 633 HB2 ALA 82 1HB ALA 82 4.678 4.650 7.682 634 HB3 ALA 82 2HB ALA 82 6.392 4.568 7.270 635 H ARG 83 H ARG 83 5.110 2.622 4.300 636 HA ARG 83 HA ARG 83 7.720 2.609 3.214 637 HB2 ARG 83 2HB ARG 83 5.272 0.998 2.365 638 HB3 ARG 83 1HB ARG 83 6.936 0.640 1.911 639 HG2 ARG 83 2HG ARG 83 5.740 0.497 4.694 640 HG3 ARG 83 1HG ARG 83 6.229 -0.857 3.678 641 HD2 ARG 83 2HD ARG 83 8.043 1.232 4.929 642 HD3 ARG 83 1HD ARG 83 7.908 -0.467 5.392 643 HE ARG 83 HE ARG 83 8.625 -0.414 2.700 644 HH11 ARG 83 1HH1 ARG 83 10.083 0.631 5.734 645 HH12 ARG 83 2HH1 ARG 83 11.701 0.380 5.171 646 HH21 ARG 83 1HH2 ARG 83 10.742 -0.699 1.989 647 HH22 ARG 83 2HH2 ARG 83 12.069 -0.380 3.054 648 H ILE 84 H ILE 84 4.604 3.546 1.916 649 HA ILE 84 HA ILE 84 5.487 4.176 -0.738 650 HB ILE 84 HB ILE 84 2.991 4.968 0.824 651 HG12 ILE 84 2HG1 ILE 84 3.335 3.049 -1.529 652 HG13 ILE 84 1HG1 ILE 84 3.312 2.544 0.157 653 HG21 ILE 84 1HG2 ILE 84 3.552 5.567 -2.104 654 HG22 ILE 84 2HG2 ILE 84 3.396 6.756 -0.811 655 HG23 ILE 84 3HG2 ILE 84 2.001 5.792 -1.293 656 HD11 ILE 84 3HD1 ILE 84 1.029 3.313 0.377 657 HD12 ILE 84 1HD1 ILE 84 1.187 2.167 -0.951 658 HD13 ILE 84 2HD1 ILE 84 1.042 3.891 -1.291 659 H ASP 85 H ASP 85 4.935 6.094 2.213 660 HA ASP 85 HA ASP 85 5.845 8.580 1.427 661 HB2 ASP 85 2HB ASP 85 4.846 8.063 3.645 662 HB3 ASP 85 1HB ASP 85 6.315 7.220 4.113 663 H GLU 86 H GLU 86 7.737 5.758 2.461 664 HA GLU 86 HA GLU 86 10.325 6.817 2.400 665 HB2 GLU 86 2HB GLU 86 9.725 4.627 3.395 666 HB3 GLU 86 1HB GLU 86 9.327 3.995 1.810 667 HG2 GLU 86 2HG GLU 86 11.461 3.114 2.494 668 HG3 GLU 86 1HG GLU 86 11.696 4.218 1.137 669 H LEU 87 H LEU 87 8.401 5.220 -0.144 670 HA LEU 87 HA LEU 87 10.273 5.389 -2.246 671 HB2 LEU 87 2HB LEU 87 7.244 5.170 -2.382 672 HB3 LEU 87 1HB LEU 87 8.324 4.912 -3.748 673 HG LEU 87 HG LEU 87 8.252 3.217 -1.218 674 HD11 LEU 87 1HD1 LEU 87 6.253 2.884 -2.570 675 HD12 LEU 87 2HD1 LEU 87 7.285 1.457 -2.620 676 HD13 LEU 87 3HD1 LEU 87 7.243 2.565 -3.995 677 HD21 LEU 87 3HD2 LEU 87 9.787 1.691 -2.388 678 HD22 LEU 87 1HD2 LEU 87 10.513 3.283 -2.166 679 HD23 LEU 87 2HD2 LEU 87 9.888 2.814 -3.747 680 H VAL 88 H VAL 88 7.647 7.669 -1.343 681 HA VAL 88 HA VAL 88 7.913 9.304 -3.697 682 HB VAL 88 HB VAL 88 6.406 10.925 -2.665 683 HG11 VAL 88 1HG1 VAL 88 4.413 9.508 -2.257 684 HG12 VAL 88 2HG1 VAL 88 5.454 8.087 -2.141 685 HG13 VAL 88 3HG1 VAL 88 5.336 8.973 -3.661 686 HG21 VAL 88 3HG2 VAL 88 7.260 10.948 -0.359 687 HG22 VAL 88 1HG2 VAL 88 6.609 9.330 -0.084 688 HG23 VAL 88 2HG2 VAL 88 5.517 10.688 -0.368 689 H ALA 89 H ALA 89 9.285 9.347 -0.477 690 HA ALA 89 HA ALA 89 10.718 11.815 -0.698 691 HB1 ALA 89 3HB ALA 89 11.259 9.381 1.049 692 HB2 ALA 89 1HB ALA 89 10.275 10.780 1.488 693 HB3 ALA 89 2HB ALA 89 12.010 10.970 1.235 694 H ALA 90 H ALA 90 11.635 8.387 -1.116 695 HA ALA 90 HA ALA 90 14.299 8.587 -1.727 696 HB1 ALA 90 3HB ALA 90 13.159 6.469 -1.207 697 HB2 ALA 90 1HB ALA 90 14.120 6.333 -2.683 698 HB3 ALA 90 2HB ALA 90 12.364 6.500 -2.781 699 H LYS 91 H LYS 91 11.582 8.661 -4.023 700 HA LYS 91 HA LYS 91 13.003 8.591 -6.421 701 HB2 LYS 91 2HB LYS 91 11.031 9.439 -7.546 702 HB3 LYS 91 1HB LYS 91 10.535 8.318 -6.285 703 HG2 LYS 91 2HG LYS 91 9.852 10.142 -4.847 704 HG3 LYS 91 1HG LYS 91 10.483 11.337 -5.986 705 HD2 LYS 91 2HD LYS 91 8.811 10.596 -7.666 706 HD3 LYS 91 1HD LYS 91 8.176 9.422 -6.510 707 HE2 LYS 91 2HE LYS 91 6.764 11.421 -6.564 708 HE3 LYS 91 1HE LYS 91 7.551 11.288 -4.991 709 HZ1 LYS 91 3HZ LYS 91 8.398 13.051 -7.229 710 HZ2 LYS 91 1HZ LYS 91 9.212 12.895 -5.753 711 HZ3 LYS 91 2HZ LYS 91 7.651 13.539 -5.789 712 H GLY 92 H GLY 92 12.424 11.305 -4.292 713 HA2 GLY 92 2HA GLY 92 13.342 13.379 -6.050 714 HA3 GLY 92 1HA GLY 92 13.143 13.495 -4.307 715 H ALA 93 H ALA 93 14.837 11.477 -3.456 716 HA ALA 93 HA ALA 93 17.407 12.661 -3.470 717 HB1 ALA 93 3HB ALA 93 16.554 11.326 -1.586 718 HB2 ALA 93 1HB ALA 93 18.103 10.703 -2.163 719 HB3 ALA 93 2HB ALA 93 16.603 9.872 -2.583 720 H LEU 94 H LEU 94 16.072 9.867 -5.257 721 HA LEU 94 HA LEU 94 18.225 8.921 -6.688 722 HB2 LEU 94 2HB LEU 94 15.412 9.403 -7.768 723 HB3 LEU 94 1HB LEU 94 16.620 8.399 -8.559 724 HG LEU 94 HG LEU 94 15.350 7.831 -5.849 725 HD11 LEU 94 1HD1 LEU 94 13.761 7.538 -7.701 726 HD12 LEU 94 2HD1 LEU 94 14.184 5.998 -6.959 727 HD13 LEU 94 3HD1 LEU 94 14.895 6.448 -8.510 728 HD21 LEU 94 3HD2 LEU 94 17.647 6.968 -5.950 729 HD22 LEU 94 1HD2 LEU 94 17.285 6.129 -7.461 730 HD23 LEU 94 2HD2 LEU 94 16.481 5.652 -5.964 731 H GLU 95 H GLU 95 16.088 11.634 -7.550 732 HA GLU 95 HA GLU 95 16.466 13.728 -8.290 733 HB2 GLU 95 2HB GLU 95 18.803 13.207 -6.998 734 HB3 GLU 95 1HB GLU 95 19.448 13.395 -8.616 735 HG2 GLU 95 2HG GLU 95 17.870 15.484 -7.076 736 HG3 GLU 95 1HG GLU 95 19.618 15.465 -7.274 737 H HIS 96 H HIS 96 17.648 11.021 -10.100 738 HA HIS 96 HA HIS 96 18.584 12.298 -12.436 739 HB2 HIS 96 2HB HIS 96 19.154 9.940 -11.766 740 HB3 HIS 96 1HB HIS 96 17.500 9.459 -12.132 741 HD1 HIS 96 HD1 HIS 96 20.783 10.050 -13.679 742 HD2 HIS 96 HD2 HIS 96 16.869 9.539 -14.947 743 HE1 HIS 96 HE1 HIS 96 20.935 9.559 -16.130 744 HE2 HIS 96 HE2 HIS 96 18.539 9.482 -16.913 745 H HIS 97 H HIS 97 17.370 13.543 -13.666 746 HA HIS 97 HA HIS 97 14.491 13.348 -13.850 747 HB2 HIS 97 2HB HIS 97 16.426 15.121 -15.419 748 HB3 HIS 97 1HB HIS 97 14.676 15.324 -15.335 749 HD1 HIS 97 HD1 HIS 97 17.311 17.093 -14.196 750 HD2 HIS 97 HD2 HIS 97 14.236 15.239 -12.113 751 HE1 HIS 97 HE1 HIS 97 17.208 18.260 -11.983 752 HE2 HIS 97 HE2 HIS 97 15.550 16.920 -10.661 753 H HIS 98 H HIS 98 13.314 13.041 -15.836 754 HA HIS 98 HA HIS 98 14.216 10.726 -17.301 755 HB2 HIS 98 2HB HIS 98 11.659 12.369 -17.569 756 HB3 HIS 98 1HB HIS 98 11.946 10.808 -18.332 757 HD1 HIS 98 HD1 HIS 98 10.422 12.236 -15.397 758 HD2 HIS 98 HD2 HIS 98 12.464 8.706 -16.240 759 HE1 HIS 98 HE1 HIS 98 9.827 10.650 -13.535 760 HE2 HIS 98 HE2 HIS 98 10.981 8.491 -14.133 761 H HIS 99 H HIS 99 16.034 11.642 -18.322 762 HA HIS 99 HA HIS 99 15.472 12.973 -20.907 763 HB2 HIS 99 2HB HIS 99 17.641 13.652 -18.884 764 HB3 HIS 99 1HB HIS 99 17.893 13.970 -20.596 765 HD1 HIS 99 HD1 HIS 99 16.981 16.120 -21.498 766 HD2 HIS 99 HD2 HIS 99 15.340 15.169 -17.795 767 HE1 HIS 99 HE1 HIS 99 15.651 18.134 -20.813 768 HE2 HIS 99 HE2 HIS 99 14.560 17.486 -18.636 769 H HIS 100 H HIS 100 15.897 10.148 -19.858 770 HA HIS 100 HA HIS 100 17.589 9.239 -22.051 771 HB2 HIS 100 2HB HIS 100 19.218 9.383 -20.187 772 HB3 HIS 100 1HB HIS 100 18.152 8.436 -19.149 773 HD1 HIS 100 HD1 HIS 100 20.446 8.110 -22.122 774 HD2 HIS 100 HD2 HIS 100 18.296 5.662 -19.542 775 HE1 HIS 100 HE1 HIS 100 21.241 5.783 -22.586 776 HE2 HIS 100 HE2 HIS 100 19.888 4.304 -21.055 777 H HIS 101 H HIS 101 16.188 7.959 -23.065 778 HA HIS 101 HA HIS 101 14.938 5.700 -21.790 779 HB2 HIS 101 2HB HIS 101 13.271 7.425 -21.210 780 HB3 HIS 101 1HB HIS 101 13.198 7.962 -22.884 781 HD1 HIS 101 HD1 HIS 101 11.605 6.768 -24.415 782 HD2 HIS 101 HD2 HIS 101 12.051 4.810 -20.780 783 HE1 HIS 101 HE1 HIS 101 9.857 4.974 -24.400 784 HE2 HIS 101 HE2 HIS 101 10.065 3.888 -22.149 Start of MODEL 5 1 H1 MET 1 1H MET 1 1.907 17.393 3.899 2 H2 MET 1 2H MET 1 1.632 17.902 5.486 3 H3 MET 1 3H MET 1 2.499 18.890 4.425 4 HA MET 1 HA MET 1 0.238 19.690 4.749 5 HB2 MET 1 2HB MET 1 0.811 18.590 1.960 6 HB3 MET 1 1HB MET 1 -0.363 19.854 2.315 7 HG2 MET 1 2HG MET 1 1.439 21.332 3.075 8 HG3 MET 1 1HG MET 1 2.626 20.062 2.764 9 HE1 MET 1 3HE MET 1 1.471 18.790 -0.023 10 HE2 MET 1 1HE MET 1 3.175 19.110 0.312 11 HE3 MET 1 2HE MET 1 2.436 19.725 -1.165 12 H THR 2 H THR 2 0.140 16.748 2.728 13 HA THR 2 HA THR 2 -2.232 15.768 4.220 14 HB THR 2 HB THR 2 -1.587 15.316 1.260 15 HG1 THR 2 HG1 THR 2 -3.675 16.841 2.471 16 HG21 THR 2 3HG2 THR 2 -3.842 14.275 1.151 17 HG22 THR 2 1HG2 THR 2 -4.027 14.468 2.891 18 HG23 THR 2 2HG2 THR 2 -2.792 13.376 2.250 19 H SER 3 H SER 3 -1.847 13.895 5.240 20 HA SER 3 HA SER 3 0.713 12.681 5.267 21 HB2 SER 3 2HB SER 3 -1.917 11.733 6.481 22 HB3 SER 3 1HB SER 3 -0.328 11.051 6.845 23 HG SER 3 HG SER 3 -1.479 13.408 7.696 24 H THR 4 H THR 4 1.405 10.688 4.570 25 HA THR 4 HA THR 4 0.651 9.913 1.994 26 HB THR 4 HB THR 4 2.249 8.173 3.925 27 HG1 THR 4 HG1 THR 4 3.956 9.506 3.632 28 HG21 THR 4 3HG2 THR 4 2.445 8.542 0.902 29 HG22 THR 4 1HG2 THR 4 1.772 7.128 1.722 30 HG23 THR 4 2HG2 THR 4 3.487 7.511 1.880 31 H PHE 5 H PHE 5 -0.529 8.779 5.129 32 HA PHE 5 HA PHE 5 -1.697 6.339 4.259 33 HB2 PHE 5 2HB PHE 5 -1.464 6.592 6.640 34 HB3 PHE 5 1HB PHE 5 -2.356 8.111 6.646 35 HD1 PHE 5 HD1 PHE 5 -2.809 4.448 5.873 36 HD2 PHE 5 HD2 PHE 5 -4.700 8.081 7.128 37 HE1 PHE 5 HE1 PHE 5 -4.932 3.254 6.194 38 HE2 PHE 5 HE2 PHE 5 -6.813 6.863 7.452 39 HZ PHE 5 HZ PHE 5 -6.928 4.451 6.981 40 H ASP 6 H ASP 6 -3.019 9.628 4.565 41 HA ASP 6 HA ASP 6 -5.721 9.122 4.090 42 HB2 ASP 6 2HB ASP 6 -4.907 11.296 4.911 43 HB3 ASP 6 1HB ASP 6 -4.090 11.604 3.385 44 H ARG 7 H ARG 7 -3.124 9.794 1.785 45 HA ARG 7 HA ARG 7 -4.727 9.797 -0.564 46 HB2 ARG 7 2HB ARG 7 -1.736 9.386 -0.251 47 HB3 ARG 7 1HB ARG 7 -2.558 9.703 -1.775 48 HG2 ARG 7 2HG ARG 7 -2.465 11.618 0.588 49 HG3 ARG 7 1HG ARG 7 -1.425 11.710 -0.834 50 HD2 ARG 7 2HD ARG 7 -3.156 13.314 -1.190 51 HD3 ARG 7 1HD ARG 7 -3.554 11.946 -2.229 52 HE ARG 7 HE ARG 7 -4.834 12.234 0.425 53 HH11 ARG 7 1HH1 ARG 7 -5.185 12.116 -3.073 54 HH12 ARG 7 2HH1 ARG 7 -6.912 11.985 -3.008 55 HH21 ARG 7 1HH2 ARG 7 -7.089 12.041 0.476 56 HH22 ARG 7 2HH2 ARG 7 -7.984 11.959 -1.009 57 H VAL 8 H VAL 8 -2.612 7.265 0.877 58 HA VAL 8 HA VAL 8 -3.103 5.198 -0.985 59 HB VAL 8 HB VAL 8 -2.464 4.961 1.996 60 HG11 VAL 8 1HG1 VAL 8 -3.398 2.834 1.175 61 HG12 VAL 8 2HG1 VAL 8 -1.673 2.658 1.490 62 HG13 VAL 8 3HG1 VAL 8 -2.252 2.823 -0.169 63 HG21 VAL 8 3HG2 VAL 8 -0.600 4.835 -0.401 64 HG22 VAL 8 1HG2 VAL 8 -0.132 4.633 1.291 65 HG23 VAL 8 2HG2 VAL 8 -0.744 6.186 0.722 66 H ALA 9 H ALA 9 -4.909 6.295 1.791 67 HA ALA 9 HA ALA 9 -6.690 4.121 2.147 68 HB1 ALA 9 3HB ALA 9 -7.945 5.682 3.607 69 HB2 ALA 9 1HB ALA 9 -6.970 7.029 3.007 70 HB3 ALA 9 2HB ALA 9 -6.214 5.742 3.949 71 H THR 10 H THR 10 -6.942 7.288 0.528 72 HA THR 10 HA THR 10 -9.446 7.152 -0.633 73 HB THR 10 HB THR 10 -6.876 8.364 -1.734 74 HG1 THR 10 HG1 THR 10 -7.210 9.672 -0.131 75 HG21 THR 10 3HG2 THR 10 -8.507 8.187 -3.553 76 HG22 THR 10 1HG2 THR 10 -8.319 9.870 -3.056 77 HG23 THR 10 2HG2 THR 10 -9.742 8.958 -2.548 78 H ILE 11 H ILE 11 -6.353 5.960 -1.894 79 HA ILE 11 HA ILE 11 -7.179 4.979 -4.384 80 HB ILE 11 HB ILE 11 -4.889 4.192 -2.552 81 HG12 ILE 11 2HG1 ILE 11 -4.730 6.484 -3.426 82 HG13 ILE 11 1HG1 ILE 11 -3.468 5.488 -4.138 83 HG21 ILE 11 1HG2 ILE 11 -3.813 3.026 -4.483 84 HG22 ILE 11 2HG2 ILE 11 -5.322 3.195 -5.384 85 HG23 ILE 11 3HG2 ILE 11 -5.278 2.229 -3.910 86 HD11 ILE 11 3HD1 ILE 11 -4.785 5.320 -6.207 87 HD12 ILE 11 1HD1 ILE 11 -4.422 6.985 -5.761 88 HD13 ILE 11 2HD1 ILE 11 -6.035 6.339 -5.479 89 H ILE 12 H ILE 12 -6.797 3.250 -1.286 90 HA ILE 12 HA ILE 12 -7.653 0.698 -2.158 91 HB ILE 12 HB ILE 12 -7.528 1.916 0.630 92 HG12 ILE 12 2HG1 ILE 12 -5.657 0.002 -0.833 93 HG13 ILE 12 1HG1 ILE 12 -5.353 1.707 -0.529 94 HG21 ILE 12 1HG2 ILE 12 -9.156 0.081 0.729 95 HG22 ILE 12 2HG2 ILE 12 -7.674 -0.381 1.567 96 HG23 ILE 12 3HG2 ILE 12 -8.007 -1.010 -0.048 97 HD11 ILE 12 3HD1 ILE 12 -4.085 0.301 0.967 98 HD12 ILE 12 1HD1 ILE 12 -5.561 -0.452 1.565 99 HD13 ILE 12 2HD1 ILE 12 -5.255 1.261 1.869 100 H ALA 13 H ALA 13 -9.403 3.447 -0.814 101 HA ALA 13 HA ALA 13 -11.907 2.285 -0.365 102 HB1 ALA 13 3HB ALA 13 -12.829 4.555 -0.490 103 HB2 ALA 13 1HB ALA 13 -11.334 5.129 -1.239 104 HB3 ALA 13 2HB ALA 13 -11.318 4.534 0.420 105 H GLU 14 H GLU 14 -10.721 3.974 -3.254 106 HA GLU 14 HA GLU 14 -13.085 3.574 -4.795 107 HB2 GLU 14 2HB GLU 14 -10.290 4.469 -5.601 108 HB3 GLU 14 1HB GLU 14 -11.701 4.530 -6.657 109 HG2 GLU 14 2HG GLU 14 -12.803 6.082 -5.036 110 HG3 GLU 14 1HG GLU 14 -11.332 6.064 -4.056 111 H THR 15 H THR 15 -9.982 1.877 -4.565 112 HA THR 15 HA THR 15 -10.350 0.240 -6.890 113 HB THR 15 HB THR 15 -8.390 -0.021 -4.563 114 HG1 THR 15 HG1 THR 15 -7.468 1.584 -5.565 115 HG21 THR 15 3HG2 THR 15 -8.611 -2.193 -5.710 116 HG22 THR 15 1HG2 THR 15 -7.046 -1.454 -6.078 117 HG23 THR 15 2HG2 THR 15 -8.347 -1.405 -7.268 118 H CYS 16 H CYS 16 -10.250 -0.552 -3.401 119 HA CYS 16 HA CYS 16 -11.151 -3.243 -3.845 120 HB2 CYS 16 2HB CYS 16 -10.782 -1.935 -1.137 121 HB3 CYS 16 1HB CYS 16 -10.485 -3.610 -1.613 122 HG CYS 16 HG CYS 16 -8.192 -3.049 -3.057 123 H ASP 17 H ASP 17 -12.923 -0.421 -3.595 124 HA ASP 17 HA ASP 17 -15.101 0.091 -3.246 125 HB2 ASP 17 2HB ASP 17 -15.537 -1.886 -4.659 126 HB3 ASP 17 1HB ASP 17 -15.460 -2.939 -3.254 127 H ILE 18 H ILE 18 -13.209 -0.359 -0.987 128 HA ILE 18 HA ILE 18 -14.954 -1.102 1.263 129 HB ILE 18 HB ILE 18 -11.952 -0.556 1.123 130 HG12 ILE 18 2HG1 ILE 18 -13.470 -3.165 1.574 131 HG13 ILE 18 1HG1 ILE 18 -12.692 -2.698 0.065 132 HG21 ILE 18 1HG2 ILE 18 -12.796 0.140 3.327 133 HG22 ILE 18 2HG2 ILE 18 -11.820 -1.321 3.474 134 HG23 ILE 18 3HG2 ILE 18 -13.580 -1.428 3.541 135 HD11 ILE 18 3HD1 ILE 18 -10.515 -2.766 1.176 136 HD12 ILE 18 1HD1 ILE 18 -11.369 -4.305 1.294 137 HD13 ILE 18 2HD1 ILE 18 -11.304 -3.228 2.688 138 HA PRO 19 HA PRO 19 -15.744 3.334 1.880 139 HB2 PRO 19 2HB PRO 19 -16.973 3.152 4.357 140 HB3 PRO 19 1HB PRO 19 -17.782 2.780 2.832 141 HG2 PRO 19 2HG PRO 19 -16.515 0.904 4.814 142 HG3 PRO 19 1HG PRO 19 -18.077 0.756 3.975 143 HD2 PRO 19 2HD PRO 19 -15.873 -0.591 3.136 144 HD3 PRO 19 1HD PRO 19 -17.076 0.024 1.981 145 H ARG 20 H ARG 20 -14.766 5.016 2.945 146 HA ARG 20 HA ARG 20 -12.182 4.705 3.990 147 HB2 ARG 20 2HB ARG 20 -14.069 7.093 4.003 148 HB3 ARG 20 1HB ARG 20 -12.392 7.198 4.531 149 HG2 ARG 20 2HG ARG 20 -13.245 6.327 1.746 150 HG3 ARG 20 1HG ARG 20 -12.777 7.975 2.185 151 HD2 ARG 20 2HD ARG 20 -11.005 5.512 2.400 152 HD3 ARG 20 1HD ARG 20 -10.902 6.752 1.148 153 HE ARG 20 HE ARG 20 -10.066 6.973 3.944 154 HH11 ARG 20 1HH1 ARG 20 -10.533 8.634 0.906 155 HH12 ARG 20 2HH1 ARG 20 -9.408 9.899 1.276 156 HH21 ARG 20 1HH2 ARG 20 -8.597 8.631 4.446 157 HH22 ARG 20 2HH2 ARG 20 -8.321 9.912 3.306 158 H GLU 21 H GLU 21 -15.256 4.903 5.612 159 HA GLU 21 HA GLU 21 -14.437 5.548 8.239 160 HB2 GLU 21 2HB GLU 21 -16.661 4.681 8.918 161 HB3 GLU 21 1HB GLU 21 -16.768 5.739 7.515 162 HG2 GLU 21 2HG GLU 21 -16.908 3.729 6.043 163 HG3 GLU 21 1HG GLU 21 -16.899 2.706 7.477 164 H THR 22 H THR 22 -14.376 2.544 6.442 165 HA THR 22 HA THR 22 -13.485 1.026 8.828 166 HB THR 22 HB THR 22 -14.022 -1.027 7.537 167 HG1 THR 22 HG1 THR 22 -14.061 0.646 5.454 168 HG21 THR 22 3HG2 THR 22 -16.481 -0.827 7.522 169 HG22 THR 22 1HG2 THR 22 -16.349 0.935 7.589 170 HG23 THR 22 2HG2 THR 22 -15.800 -0.048 8.949 171 H ILE 23 H ILE 23 -12.021 2.865 6.713 172 HA ILE 23 HA ILE 23 -9.697 1.062 6.298 173 HB ILE 23 HB ILE 23 -10.350 3.743 4.970 174 HG12 ILE 23 2HG1 ILE 23 -10.187 0.928 3.803 175 HG13 ILE 23 1HG1 ILE 23 -11.669 1.839 4.079 176 HG21 ILE 23 1HG2 ILE 23 -8.300 3.445 3.640 177 HG22 ILE 23 2HG2 ILE 23 -7.910 1.988 4.550 178 HG23 ILE 23 3HG2 ILE 23 -7.928 3.554 5.362 179 HD11 ILE 23 3HD1 ILE 23 -11.075 1.856 1.751 180 HD12 ILE 23 1HD1 ILE 23 -9.482 2.517 2.119 181 HD13 ILE 23 2HD1 ILE 23 -10.931 3.487 2.407 182 H THR 24 H THR 24 -8.485 1.157 8.087 183 HA THR 24 HA THR 24 -7.963 3.754 9.446 184 HB THR 24 HB THR 24 -7.791 2.436 11.586 185 HG1 THR 24 HG1 THR 24 -8.661 0.238 11.490 186 HG21 THR 24 3HG2 THR 24 -10.448 2.039 10.150 187 HG22 THR 24 1HG2 THR 24 -9.959 3.501 11.013 188 HG23 THR 24 2HG2 THR 24 -10.204 1.994 11.900 189 HA PRO 25 HA PRO 25 -3.514 3.019 8.838 190 HB2 PRO 25 2HB PRO 25 -3.321 3.775 11.766 191 HB3 PRO 25 1HB PRO 25 -2.358 4.348 10.392 192 HG2 PRO 25 2HG PRO 25 -4.281 5.892 11.360 193 HG3 PRO 25 1HG PRO 25 -4.080 5.744 9.600 194 HD2 PRO 25 2HD PRO 25 -6.141 4.460 11.384 195 HD3 PRO 25 1HD PRO 25 -6.329 5.138 9.755 196 H GLU 26 H GLU 26 -5.113 1.683 11.703 197 HA GLU 26 HA GLU 26 -3.059 -0.243 12.340 198 HB2 GLU 26 2HB GLU 26 -4.616 -1.028 14.078 199 HB3 GLU 26 1HB GLU 26 -4.487 0.729 14.099 200 HG2 GLU 26 2HG GLU 26 -6.632 0.875 12.836 201 HG3 GLU 26 1HG GLU 26 -6.774 -0.881 12.914 202 H SER 27 H SER 27 -5.670 -0.183 10.129 203 HA SER 27 HA SER 27 -6.420 -2.934 10.078 204 HB2 SER 27 2HB SER 27 -7.913 -1.224 9.198 205 HB3 SER 27 1HB SER 27 -6.725 -0.724 7.996 206 HG SER 27 HG SER 27 -8.523 -2.739 7.910 207 H HIS 28 H HIS 28 -5.669 -4.596 8.870 208 HA HIS 28 HA HIS 28 -3.303 -4.262 7.136 209 HB2 HIS 28 2HB HIS 28 -3.208 -5.866 9.066 210 HB3 HIS 28 1HB HIS 28 -4.534 -6.773 8.362 211 HD2 HIS 28 HD2 HIS 28 -0.862 -6.988 8.555 212 HE1 HIS 28 HE1 HIS 28 -1.892 -8.962 4.984 213 HE2 HIS 28 HE2 HIS 28 -0.246 -8.850 6.890 214 H ALA 29 H ALA 29 -3.530 -4.598 4.943 215 HA ALA 29 HA ALA 29 -5.914 -4.577 3.595 216 HB1 ALA 29 3HB ALA 29 -4.661 -5.188 1.582 217 HB2 ALA 29 1HB ALA 29 -3.316 -5.758 2.577 218 HB3 ALA 29 2HB ALA 29 -3.743 -4.047 2.567 219 H ILE 30 H ILE 30 -3.920 -7.550 4.116 220 HA ILE 30 HA ILE 30 -5.915 -9.246 2.850 221 HB ILE 30 HB ILE 30 -3.416 -10.070 4.398 222 HG12 ILE 30 2HG1 ILE 30 -3.746 -9.688 1.389 223 HG13 ILE 30 1HG1 ILE 30 -2.874 -8.590 2.455 224 HG21 ILE 30 1HG2 ILE 30 -3.586 -12.215 3.190 225 HG22 ILE 30 2HG2 ILE 30 -5.078 -11.674 2.420 226 HG23 ILE 30 3HG2 ILE 30 -5.028 -11.923 4.167 227 HD11 ILE 30 3HD1 ILE 30 -1.258 -10.376 2.945 228 HD12 ILE 30 1HD1 ILE 30 -1.349 -10.006 1.225 229 HD13 ILE 30 2HD1 ILE 30 -2.126 -11.458 1.853 230 H ASP 31 H ASP 31 -4.646 -8.815 6.166 231 HA ASP 31 HA ASP 31 -6.101 -10.976 7.321 232 HB2 ASP 31 2HB ASP 31 -3.978 -10.328 8.293 233 HB3 ASP 31 1HB ASP 31 -4.543 -8.684 8.569 234 H ASP 32 H ASP 32 -6.614 -7.449 7.315 235 HA ASP 32 HA ASP 32 -9.054 -7.729 8.945 236 HB2 ASP 32 2HB ASP 32 -7.374 -5.966 9.552 237 HB3 ASP 32 1HB ASP 32 -7.639 -5.195 7.998 238 H LEU 33 H LEU 33 -8.093 -5.973 5.969 239 HA LEU 33 HA LEU 33 -10.780 -5.353 5.225 240 HB2 LEU 33 2HB LEU 33 -8.172 -5.078 3.688 241 HB3 LEU 33 1HB LEU 33 -9.705 -4.409 3.159 242 HG LEU 33 HG LEU 33 -8.154 -3.580 5.646 243 HD11 LEU 33 1HD1 LEU 33 -7.087 -2.789 3.606 244 HD12 LEU 33 2HD1 LEU 33 -7.820 -1.439 4.464 245 HD13 LEU 33 3HD1 LEU 33 -8.607 -2.101 3.027 246 HD21 LEU 33 3HD2 LEU 33 -10.793 -2.489 4.585 247 HD22 LEU 33 1HD2 LEU 33 -9.848 -1.794 5.909 248 HD23 LEU 33 2HD2 LEU 33 -10.551 -3.398 6.081 249 H GLY 34 H GLY 34 -8.666 -8.021 4.440 250 HA2 GLY 34 2HA GLY 34 -9.042 -9.965 3.254 251 HA3 GLY 34 1HA GLY 34 -10.710 -9.457 3.023 252 H ILE 35 H ILE 35 -7.660 -7.961 2.037 253 HA ILE 35 HA ILE 35 -8.516 -7.839 -0.777 254 HB ILE 35 HB ILE 35 -6.160 -6.460 0.614 255 HG12 ILE 35 2HG1 ILE 35 -8.825 -5.266 -0.279 256 HG13 ILE 35 1HG1 ILE 35 -8.382 -5.610 1.390 257 HG21 ILE 35 1HG2 ILE 35 -5.716 -6.833 -1.791 258 HG22 ILE 35 2HG2 ILE 35 -5.938 -5.117 -1.454 259 HG23 ILE 35 3HG2 ILE 35 -7.240 -6.040 -2.206 260 HD11 ILE 35 3HD1 ILE 35 -8.150 -3.265 0.942 261 HD12 ILE 35 1HD1 ILE 35 -7.096 -3.582 -0.435 262 HD13 ILE 35 2HD1 ILE 35 -6.548 -3.955 1.201 263 H ASP 36 H ASP 36 -7.597 -9.196 -2.229 264 HA ASP 36 HA ASP 36 -5.447 -11.025 -1.401 265 HB2 ASP 36 2HB ASP 36 -7.142 -10.953 -3.939 266 HB3 ASP 36 1HB ASP 36 -5.960 -12.197 -3.547 267 H SER 37 H SER 37 -3.691 -11.468 -3.069 268 HA SER 37 HA SER 37 -2.191 -9.187 -3.594 269 HB2 SER 37 2HB SER 37 -1.944 -11.930 -4.886 270 HB3 SER 37 1HB SER 37 -0.677 -10.701 -4.810 271 HG SER 37 HG SER 37 -0.184 -11.530 -2.956 272 H LEU 38 H LEU 38 -4.621 -10.778 -5.601 273 HA LEU 38 HA LEU 38 -3.920 -9.671 -8.125 274 HB2 LEU 38 2HB LEU 38 -6.604 -10.655 -7.086 275 HB3 LEU 38 1HB LEU 38 -6.298 -10.237 -8.764 276 HG LEU 38 HG LEU 38 -5.059 -12.549 -7.220 277 HD11 LEU 38 1HD1 LEU 38 -6.280 -13.977 -8.806 278 HD12 LEU 38 2HD1 LEU 38 -6.991 -12.550 -9.566 279 HD13 LEU 38 3HD1 LEU 38 -7.380 -12.948 -7.890 280 HD21 LEU 38 3HD2 LEU 38 -3.371 -11.636 -8.706 281 HD22 LEU 38 1HD2 LEU 38 -4.497 -11.650 -10.066 282 HD23 LEU 38 2HD2 LEU 38 -3.951 -13.168 -9.347 283 H ASP 39 H ASP 39 -6.285 -8.679 -5.658 284 HA ASP 39 HA ASP 39 -7.167 -6.326 -7.066 285 HB2 ASP 39 2HB ASP 39 -8.629 -7.568 -5.462 286 HB3 ASP 39 1HB ASP 39 -7.552 -7.122 -4.143 287 H PHE 40 H PHE 40 -4.703 -7.061 -4.703 288 HA PHE 40 HA PHE 40 -4.120 -4.373 -3.917 289 HB2 PHE 40 2HB PHE 40 -3.567 -6.615 -2.655 290 HB3 PHE 40 1HB PHE 40 -2.127 -6.648 -3.661 291 HD1 PHE 40 HD1 PHE 40 -0.371 -4.899 -3.378 292 HD2 PHE 40 HD2 PHE 40 -3.799 -4.996 -0.840 293 HE1 PHE 40 HE1 PHE 40 0.751 -3.377 -1.810 294 HE2 PHE 40 HE2 PHE 40 -2.672 -3.467 0.718 295 HZ PHE 40 HZ PHE 40 -0.408 -2.660 0.236 296 H LEU 41 H LEU 41 -3.161 -6.422 -6.602 297 HA LEU 41 HA LEU 41 -0.938 -4.983 -7.597 298 HB2 LEU 41 2HB LEU 41 -3.131 -6.540 -9.007 299 HB3 LEU 41 1HB LEU 41 -1.820 -5.791 -9.900 300 HG LEU 41 HG LEU 41 -1.357 -7.876 -7.735 301 HD11 LEU 41 1HD1 LEU 41 -2.699 -8.894 -9.514 302 HD12 LEU 41 2HD1 LEU 41 -1.056 -9.531 -9.519 303 HD13 LEU 41 3HD1 LEU 41 -1.540 -8.338 -10.728 304 HD21 LEU 41 3HD2 LEU 41 0.582 -6.436 -8.196 305 HD22 LEU 41 1HD2 LEU 41 0.474 -6.819 -9.917 306 HD23 LEU 41 2HD2 LEU 41 0.873 -8.083 -8.750 307 H ASP 42 H ASP 42 -4.446 -4.494 -7.959 308 HA ASP 42 HA ASP 42 -4.317 -2.254 -9.748 309 HB2 ASP 42 2HB ASP 42 -6.602 -3.138 -7.924 310 HB3 ASP 42 1HB ASP 42 -6.738 -1.993 -9.258 311 H ILE 43 H ILE 43 -4.504 -2.590 -6.219 312 HA ILE 43 HA ILE 43 -4.797 0.143 -5.512 313 HB ILE 43 HB ILE 43 -3.316 -2.073 -4.015 314 HG12 ILE 43 2HG1 ILE 43 -6.195 -1.103 -3.708 315 HG13 ILE 43 1HG1 ILE 43 -5.686 -2.645 -4.392 316 HG21 ILE 43 1HG2 ILE 43 -4.286 0.597 -2.926 317 HG22 ILE 43 2HG2 ILE 43 -2.605 0.115 -3.161 318 HG23 ILE 43 3HG2 ILE 43 -3.598 -0.715 -1.964 319 HD11 ILE 43 3HD1 ILE 43 -6.493 -2.940 -2.145 320 HD12 ILE 43 1HD1 ILE 43 -5.333 -1.766 -1.526 321 HD13 ILE 43 2HD1 ILE 43 -4.771 -3.296 -2.208 322 H ALA 44 H ALA 44 -1.925 -1.900 -5.915 323 HA ALA 44 HA ALA 44 0.045 0.052 -5.337 324 HB1 ALA 44 3HB ALA 44 0.317 -2.539 -6.909 325 HB2 ALA 44 1HB ALA 44 0.462 -2.376 -5.156 326 HB3 ALA 44 2HB ALA 44 1.646 -1.606 -6.216 327 H PHE 45 H PHE 45 -1.533 -0.977 -8.283 328 HA PHE 45 HA PHE 45 0.015 0.366 -10.234 329 HB2 PHE 45 2HB PHE 45 -1.623 -1.456 -10.736 330 HB3 PHE 45 1HB PHE 45 -2.949 -0.386 -10.312 331 HD1 PHE 45 HD1 PHE 45 -3.575 1.499 -11.829 332 HD2 PHE 45 HD2 PHE 45 -0.494 -1.275 -12.888 333 HE1 PHE 45 HE1 PHE 45 -3.675 2.264 -14.161 334 HE2 PHE 45 HE2 PHE 45 -0.605 -0.496 -15.216 335 HZ PHE 45 HZ PHE 45 -2.191 1.271 -15.855 336 H ALA 46 H ALA 46 -2.940 1.277 -8.507 337 HA ALA 46 HA ALA 46 -3.288 3.841 -9.669 338 HB1 ALA 46 3HB ALA 46 -4.906 4.213 -7.845 339 HB2 ALA 46 1HB ALA 46 -4.316 2.767 -7.020 340 HB3 ALA 46 2HB ALA 46 -5.126 2.626 -8.581 341 H ILE 47 H ILE 47 -1.456 2.675 -6.897 342 HA ILE 47 HA ILE 47 -0.810 5.210 -5.736 343 HB ILE 47 HB ILE 47 0.357 2.424 -5.413 344 HG12 ILE 47 2HG1 ILE 47 -1.215 4.166 -3.457 345 HG13 ILE 47 1HG1 ILE 47 -1.943 2.941 -4.490 346 HG21 ILE 47 1HG2 ILE 47 2.229 3.958 -5.010 347 HG22 ILE 47 2HG2 ILE 47 1.697 3.237 -3.492 348 HG23 ILE 47 3HG2 ILE 47 1.246 4.895 -3.884 349 HD11 ILE 47 3HD1 ILE 47 -0.722 1.202 -3.344 350 HD12 ILE 47 1HD1 ILE 47 -1.629 2.182 -2.193 351 HD13 ILE 47 2HD1 ILE 47 0.110 2.399 -2.354 352 H ASP 48 H ASP 48 0.855 3.060 -8.051 353 HA ASP 48 HA ASP 48 3.248 4.375 -8.492 354 HB2 ASP 48 2HB ASP 48 1.424 3.024 -10.536 355 HB3 ASP 48 1HB ASP 48 3.021 3.624 -10.955 356 H LYS 49 H LYS 49 0.099 5.067 -9.914 357 HA LYS 49 HA LYS 49 0.988 7.225 -11.593 358 HB2 LYS 49 2HB LYS 49 -1.804 6.262 -10.843 359 HB3 LYS 49 1HB LYS 49 -1.456 7.441 -12.106 360 HG2 LYS 49 2HG LYS 49 -0.254 5.749 -13.397 361 HG3 LYS 49 1HG LYS 49 -0.465 4.575 -12.096 362 HD2 LYS 49 2HD LYS 49 -2.052 4.174 -13.931 363 HD3 LYS 49 1HD LYS 49 -2.896 4.588 -12.437 364 HE2 LYS 49 2HE LYS 49 -3.202 6.902 -13.264 365 HE3 LYS 49 1HE LYS 49 -2.352 6.487 -14.754 366 HZ1 LYS 49 3HZ LYS 49 -4.090 4.900 -15.255 367 HZ2 LYS 49 1HZ LYS 49 -4.742 6.446 -15.032 368 HZ3 LYS 49 2HZ LYS 49 -4.893 5.281 -13.816 369 H ALA 50 H ALA 50 -0.935 6.993 -8.594 370 HA ALA 50 HA ALA 50 -1.714 9.714 -8.437 371 HB1 ALA 50 3HB ALA 50 -2.925 7.904 -7.279 372 HB2 ALA 50 1HB ALA 50 -2.464 9.188 -6.158 373 HB3 ALA 50 2HB ALA 50 -1.554 7.674 -6.194 374 H PHE 51 H PHE 51 0.822 7.921 -6.701 375 HA PHE 51 HA PHE 51 1.871 10.301 -5.414 376 HB2 PHE 51 2HB PHE 51 2.793 7.401 -5.365 377 HB3 PHE 51 1HB PHE 51 3.544 8.688 -4.429 378 HD1 PHE 51 HD1 PHE 51 0.315 6.858 -4.901 379 HD2 PHE 51 HD2 PHE 51 2.661 9.316 -2.306 380 HE1 PHE 51 HE1 PHE 51 -1.288 6.474 -3.080 381 HE2 PHE 51 HE2 PHE 51 1.049 8.921 -0.493 382 HZ PHE 51 HZ PHE 51 -0.919 7.499 -0.879 383 H GLY 52 H GLY 52 2.453 8.626 -8.365 384 HA2 GLY 52 2HA GLY 52 3.887 9.059 -10.107 385 HA3 GLY 52 1HA GLY 52 4.451 10.483 -9.239 386 H ILE 53 H ILE 53 4.520 7.001 -8.546 387 HA ILE 53 HA ILE 53 7.470 6.958 -8.379 388 HB ILE 53 HB ILE 53 7.342 5.620 -6.254 389 HG12 ILE 53 2HG1 ILE 53 4.401 6.468 -6.240 390 HG13 ILE 53 1HG1 ILE 53 4.989 4.831 -6.501 391 HG21 ILE 53 1HG2 ILE 53 7.884 7.998 -6.113 392 HG22 ILE 53 2HG2 ILE 53 6.965 7.481 -4.701 393 HG23 ILE 53 3HG2 ILE 53 6.172 8.405 -5.982 394 HD11 ILE 53 3HD1 ILE 53 5.849 4.790 -4.205 395 HD12 ILE 53 1HD1 ILE 53 4.118 5.112 -4.272 396 HD13 ILE 53 2HD1 ILE 53 5.243 6.430 -3.961 397 H LYS 54 H LYS 54 8.231 4.594 -8.073 398 HA LYS 54 HA LYS 54 6.341 2.610 -9.164 399 HB2 LYS 54 2HB LYS 54 8.394 2.550 -10.441 400 HB3 LYS 54 1HB LYS 54 9.381 2.555 -8.985 401 HG2 LYS 54 2HG LYS 54 8.715 0.293 -8.434 402 HG3 LYS 54 1HG LYS 54 7.509 0.273 -9.720 403 HD2 LYS 54 2HD LYS 54 10.502 0.532 -10.220 404 HD3 LYS 54 1HD LYS 54 9.647 -1.012 -10.199 405 HE2 LYS 54 2HE LYS 54 8.205 -0.211 -12.068 406 HE3 LYS 54 1HE LYS 54 9.122 1.296 -12.108 407 HZ1 LYS 54 3HZ LYS 54 10.216 -1.416 -12.609 408 HZ2 LYS 54 1HZ LYS 54 11.102 0.021 -12.649 409 HZ3 LYS 54 2HZ LYS 54 9.876 -0.245 -13.785 410 H LEU 55 H LEU 55 5.161 1.885 -7.462 411 HA LEU 55 HA LEU 55 6.378 0.981 -4.987 412 HB2 LEU 55 2HB LEU 55 4.021 1.902 -5.126 413 HB3 LEU 55 1HB LEU 55 3.560 0.482 -6.045 414 HG LEU 55 HG LEU 55 4.659 0.280 -3.208 415 HD11 LEU 55 1HD1 LEU 55 2.690 1.701 -3.102 416 HD12 LEU 55 2HD1 LEU 55 2.368 0.135 -2.366 417 HD13 LEU 55 3HD1 LEU 55 1.739 0.498 -3.978 418 HD21 LEU 55 3HD2 LEU 55 2.962 -1.682 -4.795 419 HD22 LEU 55 1HD2 LEU 55 3.494 -1.889 -3.122 420 HD23 LEU 55 2HD2 LEU 55 4.677 -1.852 -4.423 421 HA PRO 56 HA PRO 56 7.260 -2.810 -7.420 422 HB2 PRO 56 2HB PRO 56 9.462 -3.676 -6.113 423 HB3 PRO 56 1HB PRO 56 9.526 -2.268 -7.188 424 HG2 PRO 56 2HG PRO 56 9.419 -2.362 -4.182 425 HG3 PRO 56 1HG PRO 56 10.348 -1.272 -5.233 426 HD2 PRO 56 2HD PRO 56 7.890 -0.647 -4.010 427 HD3 PRO 56 1HD PRO 56 8.588 0.214 -5.397 428 H LEU 57 H LEU 57 5.179 -3.481 -6.553 429 HA LEU 57 HA LEU 57 4.891 -4.878 -4.083 430 HB2 LEU 57 2HB LEU 57 2.940 -3.905 -5.257 431 HB3 LEU 57 1HB LEU 57 3.182 -5.011 -6.598 432 HG LEU 57 HG LEU 57 2.681 -6.945 -5.100 433 HD11 LEU 57 1HD1 LEU 57 2.057 -4.867 -2.972 434 HD12 LEU 57 2HD1 LEU 57 3.378 -6.043 -2.949 435 HD13 LEU 57 3HD1 LEU 57 1.710 -6.597 -2.869 436 HD21 LEU 57 3HD2 LEU 57 0.902 -5.967 -6.464 437 HD22 LEU 57 1HD2 LEU 57 0.487 -4.851 -5.162 438 HD23 LEU 57 2HD2 LEU 57 0.265 -6.590 -4.947 439 H GLU 58 H GLU 58 5.806 -5.776 -7.332 440 HA GLU 58 HA GLU 58 5.723 -8.579 -7.170 441 HB2 GLU 58 2HB GLU 58 7.359 -8.492 -9.050 442 HB3 GLU 58 1HB GLU 58 5.960 -7.458 -9.295 443 HG2 GLU 58 2HG GLU 58 7.388 -5.509 -8.482 444 HG3 GLU 58 1HG GLU 58 8.776 -6.596 -8.556 445 H LYS 59 H LYS 59 8.142 -6.244 -6.086 446 HA LYS 59 HA LYS 59 10.070 -8.239 -5.285 447 HB2 LYS 59 2HB LYS 59 10.576 -5.798 -6.038 448 HB3 LYS 59 1HB LYS 59 10.069 -5.320 -4.422 449 HG2 LYS 59 2HG LYS 59 11.858 -6.863 -3.497 450 HG3 LYS 59 1HG LYS 59 12.397 -7.127 -5.154 451 HD2 LYS 59 2HD LYS 59 13.856 -5.440 -4.427 452 HD3 LYS 59 1HD LYS 59 12.612 -4.517 -5.274 453 HE2 LYS 59 2HE LYS 59 13.101 -3.386 -3.191 454 HE3 LYS 59 1HE LYS 59 11.501 -4.117 -3.029 455 HZ1 LYS 59 3HZ LYS 59 12.870 -4.478 -1.070 456 HZ2 LYS 59 1HZ LYS 59 14.043 -5.272 -1.990 457 HZ3 LYS 59 2HZ LYS 59 12.502 -5.954 -1.808 458 H TRP 60 H TRP 60 7.594 -6.228 -3.720 459 HA TRP 60 HA TRP 60 8.431 -6.695 -1.025 460 HB2 TRP 60 2HB TRP 60 5.855 -5.561 -2.171 461 HB3 TRP 60 1HB TRP 60 6.165 -5.671 -0.440 462 HD1 TRP 60 HD1 TRP 60 9.401 -4.735 -1.892 463 HE1 TRP 60 HE1 TRP 60 9.763 -2.196 -1.793 464 HE3 TRP 60 HE3 TRP 60 4.618 -3.260 -0.833 465 HZ2 TRP 60 HZ2 TRP 60 8.257 0.121 -1.332 466 HZ3 TRP 60 HZ3 TRP 60 4.168 -0.855 -0.566 467 HH2 TRP 60 HH2 TRP 60 5.952 0.799 -0.807 468 H THR 61 H THR 61 5.776 -8.050 -2.983 469 HA THR 61 HA THR 61 4.763 -9.929 -1.213 470 HB THR 61 HB THR 61 4.991 -10.126 -4.259 471 HG1 THR 61 HG1 THR 61 3.446 -8.696 -4.260 472 HG21 THR 61 3HG2 THR 61 3.085 -11.592 -2.376 473 HG22 THR 61 1HG2 THR 61 4.397 -12.334 -3.297 474 HG23 THR 61 2HG2 THR 61 3.016 -11.630 -4.139 475 H GLN 62 H GLN 62 7.587 -10.040 -3.323 476 HA GLN 62 HA GLN 62 8.247 -12.790 -2.994 477 HB2 GLN 62 2HB GLN 62 9.032 -11.390 -4.920 478 HB3 GLN 62 1HB GLN 62 10.036 -10.454 -3.827 479 HG2 GLN 62 2HG GLN 62 11.396 -12.048 -5.055 480 HG3 GLN 62 1HG GLN 62 11.383 -12.479 -3.345 481 HE21 GLN 62 1HE2 GLN 62 10.310 -14.354 -2.691 482 HE22 GLN 62 2HE2 GLN 62 9.817 -15.582 -3.808 483 H GLU 63 H GLU 63 9.232 -9.798 -1.330 484 HA GLU 63 HA GLU 63 11.198 -10.744 0.412 485 HB2 GLU 63 2HB GLU 63 9.062 -8.641 0.997 486 HB3 GLU 63 1HB GLU 63 10.534 -8.873 1.934 487 HG2 GLU 63 2HG GLU 63 10.356 -7.946 -0.940 488 HG3 GLU 63 1HG GLU 63 10.700 -6.938 0.458 489 H VAL 64 H VAL 64 7.672 -10.682 0.763 490 HA VAL 64 HA VAL 64 7.537 -11.796 3.374 491 HB VAL 64 HB VAL 64 5.395 -11.723 1.204 492 HG11 VAL 64 1HG1 VAL 64 4.837 -13.375 2.946 493 HG12 VAL 64 2HG1 VAL 64 3.763 -11.980 3.054 494 HG13 VAL 64 3HG1 VAL 64 5.092 -12.158 4.201 495 HG21 VAL 64 3HG2 VAL 64 5.924 -9.751 3.467 496 HG22 VAL 64 1HG2 VAL 64 4.569 -9.680 2.335 497 HG23 VAL 64 2HG2 VAL 64 6.220 -9.458 1.752 498 H ASN 65 H ASN 65 7.181 -13.183 0.112 499 HA ASN 65 HA ASN 65 6.586 -15.833 0.813 500 HB2 ASN 65 2HB ASN 65 7.783 -14.661 -1.728 501 HB3 ASN 65 1HB ASN 65 7.427 -16.380 -1.576 502 HD21 ASN 65 1HD2 ASN 65 6.265 -14.423 -3.406 503 HD22 ASN 65 2HD2 ASN 65 4.563 -14.451 -3.121 504 H ASP 66 H ASP 66 9.723 -14.220 0.613 505 HA ASP 66 HA ASP 66 11.220 -16.718 0.906 506 HB2 ASP 66 2HB ASP 66 12.107 -13.801 0.798 507 HB3 ASP 66 1HB ASP 66 13.230 -15.124 1.089 508 H GLY 67 H GLY 67 9.547 -14.702 3.034 509 HA2 GLY 67 2HA GLY 67 9.419 -14.701 5.332 510 HA3 GLY 67 1HA GLY 67 10.724 -15.874 5.401 511 H LYS 68 H LYS 68 11.305 -12.990 3.608 512 HA LYS 68 HA LYS 68 13.255 -11.965 5.521 513 HB2 LYS 68 2HB LYS 68 12.405 -10.853 2.805 514 HB3 LYS 68 1HB LYS 68 13.799 -10.329 3.748 515 HG2 LYS 68 2HG LYS 68 13.412 -13.046 2.438 516 HG3 LYS 68 1HG LYS 68 14.521 -11.774 1.918 517 HD2 LYS 68 2HD LYS 68 14.680 -13.325 4.538 518 HD3 LYS 68 1HD LYS 68 15.712 -13.580 3.130 519 HE2 LYS 68 2HE LYS 68 16.679 -11.326 3.415 520 HE3 LYS 68 1HE LYS 68 15.587 -11.011 4.767 521 HZ1 LYS 68 3HZ LYS 68 16.644 -12.803 5.986 522 HZ2 LYS 68 1HZ LYS 68 17.776 -11.635 5.522 523 HZ3 LYS 68 2HZ LYS 68 17.686 -13.102 4.687 524 H ALA 69 H ALA 69 10.010 -11.420 4.603 525 HA ALA 69 HA ALA 69 9.688 -9.245 6.543 526 HB1 ALA 69 3HB ALA 69 8.696 -9.077 3.665 527 HB2 ALA 69 1HB ALA 69 9.971 -8.094 4.388 528 HB3 ALA 69 2HB ALA 69 8.314 -7.933 4.959 529 H THR 70 H THR 70 7.507 -8.954 7.150 530 HA THR 70 HA THR 70 5.747 -11.292 6.793 531 HB THR 70 HB THR 70 4.431 -10.285 8.687 532 HG1 THR 70 HG1 THR 70 6.581 -8.534 9.201 533 HG21 THR 70 3HG2 THR 70 6.040 -10.763 10.500 534 HG22 THR 70 1HG2 THR 70 7.376 -10.692 9.353 535 HG23 THR 70 2HG2 THR 70 6.165 -11.971 9.220 536 H THR 71 H THR 71 3.489 -10.876 6.298 537 HA THR 71 HA THR 71 2.893 -8.966 4.321 538 HB THR 71 HB THR 71 0.473 -9.474 4.840 539 HG1 THR 71 HG1 THR 71 1.207 -11.480 6.628 540 HG21 THR 71 3HG2 THR 71 1.691 -10.937 3.268 541 HG22 THR 71 1HG2 THR 71 0.527 -11.857 4.224 542 HG23 THR 71 2HG2 THR 71 2.246 -11.933 4.617 543 H GLU 72 H GLU 72 2.776 -8.815 7.839 544 HA GLU 72 HA GLU 72 1.253 -6.523 8.290 545 HB2 GLU 72 2HB GLU 72 2.012 -7.980 10.118 546 HB3 GLU 72 1HB GLU 72 3.690 -7.545 9.818 547 HG2 GLU 72 2HG GLU 72 3.140 -5.183 10.443 548 HG3 GLU 72 1HG GLU 72 1.502 -5.700 10.834 549 H GLN 73 H GLN 73 4.735 -6.815 7.545 550 HA GLN 73 HA GLN 73 5.536 -4.179 8.039 551 HB2 GLN 73 2HB GLN 73 7.086 -6.100 7.730 552 HB3 GLN 73 1HB GLN 73 6.727 -6.108 6.006 553 HG2 GLN 73 2HG GLN 73 7.746 -3.885 5.753 554 HG3 GLN 73 1HG GLN 73 8.015 -3.792 7.495 555 HE21 GLN 73 1HE2 GLN 73 9.114 -5.182 4.497 556 HE22 GLN 73 2HE2 GLN 73 10.593 -5.832 5.100 557 H TYR 74 H TYR 74 4.004 -5.548 5.196 558 HA TYR 74 HA TYR 74 4.177 -2.936 3.816 559 HB2 TYR 74 2HB TYR 74 3.538 -5.681 2.640 560 HB3 TYR 74 1HB TYR 74 3.665 -4.173 1.732 561 HD1 TYR 74 HD1 TYR 74 5.954 -2.820 2.276 562 HD2 TYR 74 HD2 TYR 74 5.466 -7.058 2.553 563 HE1 TYR 74 HE1 TYR 74 8.376 -3.107 2.088 564 HE2 TYR 74 HE2 TYR 74 7.899 -7.344 2.345 565 HH TYR 74 HH TYR 74 9.833 -6.217 1.659 566 H PHE 75 H PHE 75 1.792 -5.621 3.922 567 HA PHE 75 HA PHE 75 -0.261 -4.147 2.777 568 HB2 PHE 75 2HB PHE 75 -0.377 -6.707 4.404 569 HB3 PHE 75 1HB PHE 75 -1.731 -6.075 3.474 570 HD1 PHE 75 HD1 PHE 75 1.723 -7.484 3.182 571 HD2 PHE 75 HD2 PHE 75 -1.858 -6.418 1.102 572 HE1 PHE 75 HE1 PHE 75 2.531 -8.660 1.176 573 HE2 PHE 75 HE2 PHE 75 -1.045 -7.591 -0.897 574 HZ PHE 75 HZ PHE 75 1.148 -8.712 -0.869 575 H VAL 76 H VAL 76 0.471 -4.341 6.308 576 HA VAL 76 HA VAL 76 -1.970 -3.170 7.204 577 HB VAL 76 HB VAL 76 0.815 -2.792 8.409 578 HG11 VAL 76 1HG1 VAL 76 -1.890 -2.147 9.648 579 HG12 VAL 76 2HG1 VAL 76 -0.677 -0.973 9.133 580 HG13 VAL 76 3HG1 VAL 76 -0.329 -2.062 10.477 581 HG21 VAL 76 3HG2 VAL 76 0.128 -4.480 10.063 582 HG22 VAL 76 1HG2 VAL 76 0.086 -5.140 8.428 583 HG23 VAL 76 2HG2 VAL 76 -1.417 -4.684 9.231 584 H LEU 77 H LEU 77 -2.691 -1.049 7.101 585 HA LEU 77 HA LEU 77 -1.869 0.213 4.728 586 HB2 LEU 77 2HB LEU 77 -3.753 1.379 6.795 587 HB3 LEU 77 1HB LEU 77 -3.709 1.727 5.072 588 HG LEU 77 HG LEU 77 -4.659 -0.828 6.418 589 HD11 LEU 77 1HD1 LEU 77 -6.791 -0.345 5.377 590 HD12 LEU 77 2HD1 LEU 77 -6.132 1.114 4.632 591 HD13 LEU 77 3HD1 LEU 77 -6.272 1.000 6.389 592 HD21 LEU 77 3HD2 LEU 77 -4.272 -0.389 3.442 593 HD22 LEU 77 1HD2 LEU 77 -5.112 -1.757 4.178 594 HD23 LEU 77 2HD2 LEU 77 -3.392 -1.523 4.466 595 H LYS 78 H LYS 78 -1.425 1.179 8.156 596 HA LYS 78 HA LYS 78 -0.123 3.647 7.689 597 HB2 LYS 78 2HB LYS 78 0.758 3.498 9.976 598 HB3 LYS 78 1HB LYS 78 -0.916 2.955 9.945 599 HG2 LYS 78 2HG LYS 78 -0.198 0.616 10.041 600 HG3 LYS 78 1HG LYS 78 1.494 1.112 9.979 601 HD2 LYS 78 2HD LYS 78 1.193 2.289 12.159 602 HD3 LYS 78 1HD LYS 78 -0.474 1.704 12.229 603 HE2 LYS 78 2HE LYS 78 0.322 -0.614 12.333 604 HE3 LYS 78 1HE LYS 78 1.997 -0.081 12.149 605 HZ1 LYS 78 3HZ LYS 78 0.216 0.632 14.414 606 HZ2 LYS 78 1HZ LYS 78 1.835 1.073 14.244 607 HZ3 LYS 78 2HZ LYS 78 1.421 -0.554 14.458 608 H ASN 79 H ASN 79 1.133 0.343 7.737 609 HA ASN 79 HA ASN 79 3.910 1.069 7.704 610 HB2 ASN 79 2HB ASN 79 2.526 -1.610 7.229 611 HB3 ASN 79 1HB ASN 79 4.271 -1.409 7.371 612 HD21 ASN 79 1HD2 ASN 79 2.584 -3.019 9.051 613 HD22 ASN 79 2HD2 ASN 79 2.728 -2.413 10.656 614 H LEU 80 H LEU 80 1.639 -0.232 5.307 615 HA LEU 80 HA LEU 80 3.062 -0.156 2.974 616 HB2 LEU 80 2HB LEU 80 0.707 -0.967 3.228 617 HB3 LEU 80 1HB LEU 80 0.164 0.689 3.402 618 HG LEU 80 HG LEU 80 0.889 1.158 1.058 619 HD11 LEU 80 1HD1 LEU 80 2.669 -0.503 0.821 620 HD12 LEU 80 2HD1 LEU 80 1.475 -0.669 -0.463 621 HD13 LEU 80 3HD1 LEU 80 1.481 -1.812 0.882 622 HD21 LEU 80 3HD2 LEU 80 -1.075 -1.141 1.317 623 HD22 LEU 80 1HD2 LEU 80 -0.944 -0.037 -0.056 624 HD23 LEU 80 2HD2 LEU 80 -1.445 0.573 1.519 625 H ALA 81 H ALA 81 1.261 2.479 4.536 626 HA ALA 81 HA ALA 81 1.780 4.540 2.670 627 HB1 ALA 81 3HB ALA 81 1.152 4.789 5.635 628 HB2 ALA 81 1HB ALA 81 -0.034 4.664 4.335 629 HB3 ALA 81 2HB ALA 81 1.013 6.081 4.438 630 H ALA 82 H ALA 82 3.600 3.341 5.430 631 HA ALA 82 HA ALA 82 5.510 5.457 5.591 632 HB1 ALA 82 3HB ALA 82 5.087 3.940 7.476 633 HB2 ALA 82 1HB ALA 82 6.788 3.887 7.004 634 HB3 ALA 82 2HB ALA 82 5.701 2.576 6.538 635 H ARG 83 H ARG 83 5.554 2.219 4.083 636 HA ARG 83 HA ARG 83 8.128 2.317 2.940 637 HB2 ARG 83 2HB ARG 83 5.691 0.731 2.024 638 HB3 ARG 83 1HB ARG 83 7.351 0.424 1.518 639 HG2 ARG 83 2HG ARG 83 6.266 0.138 4.341 640 HG3 ARG 83 1HG ARG 83 6.608 -1.181 3.217 641 HD2 ARG 83 2HD ARG 83 8.655 0.759 4.353 642 HD3 ARG 83 1HD ARG 83 8.398 -0.908 4.892 643 HE ARG 83 HE ARG 83 9.169 -0.355 2.088 644 HH11 ARG 83 1HH1 ARG 83 9.982 -1.809 5.180 645 HH12 ARG 83 2HH1 ARG 83 11.366 -2.645 4.554 646 HH21 ARG 83 1HH2 ARG 83 11.001 -1.460 1.293 647 HH22 ARG 83 2HH2 ARG 83 11.945 -2.437 2.375 648 H ILE 84 H ILE 84 5.026 3.437 1.784 649 HA ILE 84 HA ILE 84 5.831 4.085 -0.905 650 HB ILE 84 HB ILE 84 3.413 4.890 0.766 651 HG12 ILE 84 2HG1 ILE 84 3.616 2.977 -1.597 652 HG13 ILE 84 1HG1 ILE 84 3.672 2.474 0.088 653 HG21 ILE 84 1HG2 ILE 84 3.839 5.483 -2.185 654 HG22 ILE 84 2HG2 ILE 84 3.782 6.671 -0.885 655 HG23 ILE 84 3HG2 ILE 84 2.341 5.741 -1.288 656 HD11 ILE 84 3HD1 ILE 84 1.492 2.120 -0.878 657 HD12 ILE 84 1HD1 ILE 84 1.358 3.834 -1.268 658 HD13 ILE 84 2HD1 ILE 84 1.413 3.312 0.419 659 H ASP 85 H ASP 85 5.319 5.984 2.081 660 HA ASP 85 HA ASP 85 6.169 8.482 1.280 661 HB2 ASP 85 2HB ASP 85 5.211 7.958 3.521 662 HB3 ASP 85 1HB ASP 85 6.719 7.173 3.978 663 H GLU 86 H GLU 86 8.154 5.707 2.238 664 HA GLU 86 HA GLU 86 10.736 6.778 2.101 665 HB2 GLU 86 2HB GLU 86 10.238 4.528 2.983 666 HB3 GLU 86 1HB GLU 86 9.674 4.004 1.407 667 HG2 GLU 86 2HG GLU 86 11.827 3.050 1.751 668 HG3 GLU 86 1HG GLU 86 11.981 4.297 0.518 669 H LEU 87 H LEU 87 8.729 5.283 -0.455 670 HA LEU 87 HA LEU 87 10.529 5.546 -2.617 671 HB2 LEU 87 2HB LEU 87 7.492 5.408 -2.700 672 HB3 LEU 87 1HB LEU 87 8.565 5.092 -4.059 673 HG LEU 87 HG LEU 87 8.480 3.432 -1.506 674 HD11 LEU 87 1HD1 LEU 87 7.337 1.712 -2.801 675 HD12 LEU 87 2HD1 LEU 87 7.274 2.782 -4.205 676 HD13 LEU 87 3HD1 LEU 87 6.390 3.198 -2.733 677 HD21 LEU 87 3HD2 LEU 87 9.940 2.898 -4.117 678 HD22 LEU 87 1HD2 LEU 87 9.857 1.810 -2.726 679 HD23 LEU 87 2HD2 LEU 87 10.677 3.360 -2.579 680 H VAL 88 H VAL 88 7.836 7.728 -1.609 681 HA VAL 88 HA VAL 88 8.154 9.551 -3.792 682 HB VAL 88 HB VAL 88 6.592 11.042 -2.702 683 HG11 VAL 88 1HG1 VAL 88 4.647 9.557 -2.307 684 HG12 VAL 88 2HG1 VAL 88 5.733 8.169 -2.202 685 HG13 VAL 88 3HG1 VAL 88 5.583 9.056 -3.719 686 HG21 VAL 88 3HG2 VAL 88 5.732 10.714 -0.390 687 HG22 VAL 88 1HG2 VAL 88 7.462 11.070 -0.404 688 HG23 VAL 88 2HG2 VAL 88 6.906 9.419 -0.146 689 H ALA 89 H ALA 89 9.586 9.278 -0.630 690 HA ALA 89 HA ALA 89 10.953 11.790 -0.579 691 HB1 ALA 89 3HB ALA 89 10.514 10.496 1.464 692 HB2 ALA 89 1HB ALA 89 12.244 10.780 1.264 693 HB3 ALA 89 2HB ALA 89 11.559 9.198 0.884 694 H ALA 90 H ALA 90 11.865 8.477 -1.591 695 HA ALA 90 HA ALA 90 14.529 8.725 -2.152 696 HB1 ALA 90 3HB ALA 90 13.280 6.605 -2.231 697 HB2 ALA 90 1HB ALA 90 14.280 6.819 -3.669 698 HB3 ALA 90 2HB ALA 90 12.537 7.092 -3.753 699 H LYS 91 H LYS 91 11.885 9.409 -4.474 700 HA LYS 91 HA LYS 91 13.583 10.284 -6.593 701 HB2 LYS 91 2HB LYS 91 11.553 11.229 -7.652 702 HB3 LYS 91 1HB LYS 91 11.301 9.581 -7.094 703 HG2 LYS 91 2HG LYS 91 10.036 10.351 -5.170 704 HG3 LYS 91 1HG LYS 91 10.392 12.034 -5.565 705 HD2 LYS 91 2HD LYS 91 9.099 11.806 -7.673 706 HD3 LYS 91 1HD LYS 91 8.734 10.127 -7.260 707 HE2 LYS 91 2HE LYS 91 7.475 10.870 -5.281 708 HE3 LYS 91 1HE LYS 91 7.898 12.552 -5.623 709 HZ1 LYS 91 3HZ LYS 91 5.673 11.978 -6.394 710 HZ2 LYS 91 1HZ LYS 91 6.323 10.792 -7.409 711 HZ3 LYS 91 2HZ LYS 91 6.684 12.419 -7.677 712 H GLY 92 H GLY 92 11.983 12.021 -3.941 713 HA2 GLY 92 2HA GLY 92 12.890 14.648 -4.622 714 HA3 GLY 92 1HA GLY 92 12.298 14.117 -3.054 715 H ALA 93 H ALA 93 14.559 11.960 -3.359 716 HA ALA 93 HA ALA 93 16.681 13.491 -2.063 717 HB1 ALA 93 3HB ALA 93 17.697 11.289 -1.635 718 HB2 ALA 93 1HB ALA 93 16.458 10.512 -2.633 719 HB3 ALA 93 2HB ALA 93 16.009 11.311 -1.128 720 H LEU 94 H LEU 94 16.108 11.665 -5.067 721 HA LEU 94 HA LEU 94 18.597 11.664 -6.298 722 HB2 LEU 94 2HB LEU 94 15.930 12.168 -7.693 723 HB3 LEU 94 1HB LEU 94 17.405 11.616 -8.476 724 HG LEU 94 HG LEU 94 15.735 10.056 -6.473 725 HD11 LEU 94 1HD1 LEU 94 15.226 8.570 -8.362 726 HD12 LEU 94 2HD1 LEU 94 16.151 9.611 -9.449 727 HD13 LEU 94 3HD1 LEU 94 14.685 10.218 -8.676 728 HD21 LEU 94 3HD2 LEU 94 18.296 9.223 -7.877 729 HD22 LEU 94 1HD2 LEU 94 17.267 8.174 -6.898 730 HD23 LEU 94 2HD2 LEU 94 18.093 9.535 -6.150 731 H GLU 95 H GLU 95 16.040 14.084 -6.985 732 HA GLU 95 HA GLU 95 17.913 16.189 -7.605 733 HB2 GLU 95 2HB GLU 95 15.406 15.928 -8.389 734 HB3 GLU 95 1HB GLU 95 14.993 16.620 -6.830 735 HG2 GLU 95 2HG GLU 95 16.710 17.967 -8.948 736 HG3 GLU 95 1HG GLU 95 14.988 18.254 -8.706 737 H HIS 96 H HIS 96 19.024 17.265 -6.081 738 HA HIS 96 HA HIS 96 19.058 16.160 -3.479 739 HB2 HIS 96 2HB HIS 96 20.558 18.635 -4.435 740 HB3 HIS 96 1HB HIS 96 20.959 17.633 -3.042 741 HD1 HIS 96 HD1 HIS 96 22.283 18.234 -6.155 742 HD2 HIS 96 HD2 HIS 96 21.192 14.708 -4.249 743 HE1 HIS 96 HE1 HIS 96 23.578 16.417 -7.313 744 HE2 HIS 96 HE2 HIS 96 22.725 14.286 -6.282 745 H HIS 97 H HIS 97 17.113 16.570 -2.450 746 HA HIS 97 HA HIS 97 16.591 19.340 -1.512 747 HB2 HIS 97 2HB HIS 97 14.835 16.853 -1.562 748 HB3 HIS 97 1HB HIS 97 14.422 18.257 -0.591 749 HD1 HIS 97 HD1 HIS 97 13.785 20.451 -1.851 750 HD2 HIS 97 HD2 HIS 97 14.309 17.136 -4.299 751 HE1 HIS 97 HE1 HIS 97 12.759 21.074 -4.057 752 HE2 HIS 97 HE2 HIS 97 13.335 19.153 -5.571 753 H HIS 98 H HIS 98 18.766 17.495 -0.592 754 HA HIS 98 HA HIS 98 18.153 17.246 2.278 755 HB2 HIS 98 2HB HIS 98 20.664 16.468 0.716 756 HB3 HIS 98 1HB HIS 98 20.411 16.191 2.440 757 HD1 HIS 98 HD1 HIS 98 20.824 13.984 0.156 758 HD2 HIS 98 HD2 HIS 98 17.256 14.996 2.022 759 HE1 HIS 98 HE1 HIS 98 19.344 11.985 -0.110 760 HE2 HIS 98 HE2 HIS 98 17.268 12.554 1.197 761 H HIS 99 H HIS 99 19.487 18.370 3.843 762 HA HIS 99 HA HIS 99 19.568 21.145 3.184 763 HB2 HIS 99 2HB HIS 99 18.803 20.228 5.381 764 HB3 HIS 99 1HB HIS 99 20.462 19.780 5.759 765 HD1 HIS 99 HD1 HIS 99 22.113 21.725 6.343 766 HD2 HIS 99 HD2 HIS 99 18.200 22.943 5.674 767 HE1 HIS 99 HE1 HIS 99 21.993 24.092 7.161 768 HE2 HIS 99 HE2 HIS 99 19.678 24.862 6.546 769 H HIS 100 H HIS 100 21.208 21.268 1.577 770 HA HIS 100 HA HIS 100 24.009 21.257 2.538 771 HB2 HIS 100 2HB HIS 100 22.788 21.561 -0.243 772 HB3 HIS 100 1HB HIS 100 24.497 21.832 0.074 773 HD1 HIS 100 HD1 HIS 100 25.994 19.837 0.289 774 HD2 HIS 100 HD2 HIS 100 21.975 18.810 0.056 775 HE1 HIS 100 HE1 HIS 100 25.955 17.349 -0.013 776 HE2 HIS 100 HE2 HIS 100 23.514 16.732 0.059 777 H HIS 101 H HIS 101 21.382 23.344 1.556 778 HA HIS 101 HA HIS 101 22.745 25.687 2.674 779 HB2 HIS 101 2HB HIS 101 21.903 27.115 0.752 780 HB3 HIS 101 1HB HIS 101 23.206 26.020 0.329 781 HD1 HIS 101 HD1 HIS 101 22.531 23.899 -1.121 782 HD2 HIS 101 HD2 HIS 101 19.584 26.801 -0.766 783 HE1 HIS 101 HE1 HIS 101 20.868 23.393 -2.931 784 HE2 HIS 101 HE2 HIS 101 18.998 25.042 -2.551 Start of MODEL 6 1 H1 MET 1 1H MET 1 -3.462 18.594 5.674 2 H2 MET 1 2H MET 1 -4.717 19.498 6.351 3 H3 MET 1 3H MET 1 -4.979 18.623 4.928 4 HA MET 1 HA MET 1 -4.402 17.511 7.609 5 HB2 MET 1 2HB MET 1 -6.936 17.344 5.919 6 HB3 MET 1 1HB MET 1 -6.700 16.601 7.501 7 HG2 MET 1 2HG MET 1 -6.767 19.573 6.914 8 HG3 MET 1 1HG MET 1 -8.035 18.628 7.696 9 HE1 MET 1 3HE MET 1 -6.355 17.716 11.147 10 HE2 MET 1 1HE MET 1 -6.435 16.726 9.687 11 HE3 MET 1 2HE MET 1 -7.844 17.658 10.201 12 H THR 2 H THR 2 -4.915 16.906 4.175 13 HA THR 2 HA THR 2 -4.790 14.092 4.176 14 HB THR 2 HB THR 2 -4.224 16.101 1.951 15 HG1 THR 2 HG1 THR 2 -6.571 14.593 2.555 16 HG21 THR 2 3HG2 THR 2 -3.272 13.896 1.339 17 HG22 THR 2 1HG2 THR 2 -4.705 14.249 0.368 18 HG23 THR 2 2HG2 THR 2 -4.806 13.117 1.718 19 H SER 3 H SER 3 -3.048 13.139 5.117 20 HA SER 3 HA SER 3 -0.301 13.880 4.328 21 HB2 SER 3 2HB SER 3 -1.234 11.872 6.432 22 HB3 SER 3 1HB SER 3 0.410 12.472 6.203 23 HG SER 3 HG SER 3 -1.692 14.277 6.713 24 H THR 4 H THR 4 1.033 11.485 4.437 25 HA THR 4 HA THR 4 0.596 10.387 1.893 26 HB THR 4 HB THR 4 2.141 9.028 4.143 27 HG1 THR 4 HG1 THR 4 3.925 10.251 3.284 28 HG21 THR 4 3HG2 THR 4 3.514 8.089 2.300 29 HG22 THR 4 1HG2 THR 4 2.492 8.892 1.104 30 HG23 THR 4 2HG2 THR 4 1.831 7.606 2.118 31 H PHE 5 H PHE 5 -0.563 9.328 5.080 32 HA PHE 5 HA PHE 5 -1.558 6.777 4.247 33 HB2 PHE 5 2HB PHE 5 -1.183 7.020 6.606 34 HB3 PHE 5 1HB PHE 5 -2.162 8.481 6.693 35 HD1 PHE 5 HD1 PHE 5 -2.506 4.831 5.802 36 HD2 PHE 5 HD2 PHE 5 -4.391 8.292 7.482 37 HE1 PHE 5 HE1 PHE 5 -4.516 3.515 6.301 38 HE2 PHE 5 HE2 PHE 5 -6.392 6.947 7.985 39 HZ PHE 5 HZ PHE 5 -6.458 4.563 7.386 40 H ASP 6 H ASP 6 -3.039 9.992 4.554 41 HA ASP 6 HA ASP 6 -5.728 9.199 4.122 42 HB2 ASP 6 2HB ASP 6 -4.959 11.382 5.152 43 HB3 ASP 6 1HB ASP 6 -4.502 11.931 3.546 44 H ARG 7 H ARG 7 -3.161 10.256 1.970 45 HA ARG 7 HA ARG 7 -4.480 10.304 -0.506 46 HB2 ARG 7 2HB ARG 7 -1.617 9.659 0.285 47 HB3 ARG 7 1HB ARG 7 -2.127 9.722 -1.397 48 HG2 ARG 7 2HG ARG 7 -2.428 12.063 0.510 49 HG3 ARG 7 1HG ARG 7 -1.001 11.804 -0.502 50 HD2 ARG 7 2HD ARG 7 -3.852 12.162 -1.521 51 HD3 ARG 7 1HD ARG 7 -2.578 13.391 -1.556 52 HE ARG 7 HE ARG 7 -1.338 11.589 -2.941 53 HH11 ARG 7 1HH1 ARG 7 -4.785 12.285 -3.217 54 HH12 ARG 7 2HH1 ARG 7 -4.870 11.699 -4.848 55 HH21 ARG 7 1HH2 ARG 7 -1.483 10.894 -5.056 56 HH22 ARG 7 2HH2 ARG 7 -3.003 10.935 -5.889 57 H VAL 8 H VAL 8 -2.578 7.655 0.979 58 HA VAL 8 HA VAL 8 -3.099 5.639 -0.915 59 HB VAL 8 HB VAL 8 -2.413 5.300 2.052 60 HG11 VAL 8 1HG1 VAL 8 -1.549 3.050 1.412 61 HG12 VAL 8 2HG1 VAL 8 -2.170 3.284 -0.225 62 HG13 VAL 8 3HG1 VAL 8 -3.285 3.191 1.138 63 HG21 VAL 8 3HG2 VAL 8 -0.076 5.087 1.315 64 HG22 VAL 8 1HG2 VAL 8 -0.743 6.640 0.811 65 HG23 VAL 8 2HG2 VAL 8 -0.562 5.340 -0.364 66 H ALA 9 H ALA 9 -4.877 6.658 1.919 67 HA ALA 9 HA ALA 9 -6.630 4.468 2.258 68 HB1 ALA 9 3HB ALA 9 -6.998 7.366 3.112 69 HB2 ALA 9 1HB ALA 9 -6.205 6.098 4.052 70 HB3 ALA 9 2HB ALA 9 -7.930 5.988 3.707 71 H THR 10 H THR 10 -7.006 7.604 0.597 72 HA THR 10 HA THR 10 -9.546 7.208 -0.528 73 HB THR 10 HB THR 10 -7.183 8.938 -1.318 74 HG1 THR 10 HG1 THR 10 -9.703 9.924 -0.634 75 HG21 THR 10 3HG2 THR 10 -9.885 8.922 -2.698 76 HG22 THR 10 1HG2 THR 10 -8.350 8.454 -3.435 77 HG23 THR 10 2HG2 THR 10 -8.618 10.128 -2.936 78 H ILE 11 H ILE 11 -6.303 6.323 -1.758 79 HA ILE 11 HA ILE 11 -7.038 5.460 -4.339 80 HB ILE 11 HB ILE 11 -4.736 4.559 -2.557 81 HG12 ILE 11 2HG1 ILE 11 -4.620 6.966 -3.069 82 HG13 ILE 11 1HG1 ILE 11 -3.326 6.123 -3.913 83 HG21 ILE 11 1HG2 ILE 11 -3.600 3.712 -4.604 84 HG22 ILE 11 2HG2 ILE 11 -5.070 4.020 -5.530 85 HG23 ILE 11 3HG2 ILE 11 -5.077 2.828 -4.231 86 HD11 ILE 11 3HD1 ILE 11 -4.319 7.822 -5.298 87 HD12 ILE 11 1HD1 ILE 11 -5.914 7.099 -5.127 88 HD13 ILE 11 2HD1 ILE 11 -4.636 6.237 -5.996 89 H ILE 12 H ILE 12 -6.603 3.602 -1.338 90 HA ILE 12 HA ILE 12 -7.362 1.055 -2.253 91 HB ILE 12 HB ILE 12 -7.359 2.295 0.530 92 HG12 ILE 12 2HG1 ILE 12 -5.436 0.341 -0.829 93 HG13 ILE 12 1HG1 ILE 12 -5.140 2.056 -0.573 94 HG21 ILE 12 1HG2 ILE 12 -7.534 -0.003 1.491 95 HG22 ILE 12 2HG2 ILE 12 -7.831 -0.647 -0.126 96 HG23 ILE 12 3HG2 ILE 12 -8.990 0.460 0.610 97 HD11 ILE 12 3HD1 ILE 12 -3.917 0.699 1.004 98 HD12 ILE 12 1HD1 ILE 12 -5.412 -0.045 1.567 99 HD13 ILE 12 2HD1 ILE 12 -5.121 1.676 1.846 100 H ALA 13 H ALA 13 -9.267 3.690 -0.814 101 HA ALA 13 HA ALA 13 -11.755 2.405 -0.573 102 HB1 ALA 13 3HB ALA 13 -11.275 4.585 0.475 103 HB2 ALA 13 1HB ALA 13 -12.739 4.665 -0.510 104 HB3 ALA 13 2HB ALA 13 -11.227 5.348 -1.114 105 H GLU 14 H GLU 14 -10.432 4.307 -3.290 106 HA GLU 14 HA GLU 14 -12.692 4.013 -4.974 107 HB2 GLU 14 2HB GLU 14 -9.844 4.814 -5.649 108 HB3 GLU 14 1HB GLU 14 -11.224 5.000 -6.728 109 HG2 GLU 14 2HG GLU 14 -10.728 6.419 -4.097 110 HG3 GLU 14 1HG GLU 14 -10.744 7.126 -5.709 111 H THR 15 H THR 15 -9.651 2.210 -4.739 112 HA THR 15 HA THR 15 -9.970 0.662 -7.103 113 HB THR 15 HB THR 15 -8.270 0.163 -4.620 114 HG1 THR 15 HG1 THR 15 -7.140 1.715 -5.472 115 HG21 THR 15 3HG2 THR 15 -8.136 -1.181 -7.344 116 HG22 THR 15 1HG2 THR 15 -8.536 -1.962 -5.812 117 HG23 THR 15 2HG2 THR 15 -6.911 -1.334 -6.090 118 H CYS 16 H CYS 16 -10.244 -0.212 -3.672 119 HA CYS 16 HA CYS 16 -11.269 -2.839 -4.284 120 HB2 CYS 16 2HB CYS 16 -10.739 -1.557 -1.584 121 HB3 CYS 16 1HB CYS 16 -10.827 -3.283 -1.948 122 HG CYS 16 HG CYS 16 -8.383 -3.602 -2.755 123 H ASP 17 H ASP 17 -12.765 0.156 -3.816 124 HA ASP 17 HA ASP 17 -14.731 0.954 -3.106 125 HB2 ASP 17 2HB ASP 17 -15.586 -1.845 -3.920 126 HB3 ASP 17 1HB ASP 17 -16.756 -0.643 -3.375 127 H ILE 18 H ILE 18 -12.940 -0.346 -1.127 128 HA ILE 18 HA ILE 18 -14.640 -1.230 1.026 129 HB ILE 18 HB ILE 18 -11.696 -0.433 0.899 130 HG12 ILE 18 2HG1 ILE 18 -13.095 -3.112 1.323 131 HG13 ILE 18 1HG1 ILE 18 -12.261 -2.600 -0.135 132 HG21 ILE 18 1HG2 ILE 18 -13.188 -1.392 3.382 133 HG22 ILE 18 2HG2 ILE 18 -12.477 0.204 3.145 134 HG23 ILE 18 3HG2 ILE 18 -11.436 -1.212 3.252 135 HD11 ILE 18 3HD1 ILE 18 -10.145 -2.605 1.103 136 HD12 ILE 18 1HD1 ILE 18 -10.940 -4.177 1.096 137 HD13 ILE 18 2HD1 ILE 18 -11.004 -3.167 2.539 138 HA PRO 19 HA PRO 19 -16.125 2.881 2.140 139 HB2 PRO 19 2HB PRO 19 -16.242 1.621 4.882 140 HB3 PRO 19 1HB PRO 19 -17.476 2.553 4.018 141 HG2 PRO 19 2HG PRO 19 -17.680 -0.101 4.165 142 HG3 PRO 19 1HG PRO 19 -18.065 0.734 2.641 143 HD2 PRO 19 2HD PRO 19 -15.584 -0.805 3.397 144 HD3 PRO 19 1HD PRO 19 -16.459 -0.765 1.847 145 H ARG 20 H ARG 20 -14.975 4.616 2.562 146 HA ARG 20 HA ARG 20 -12.305 4.707 3.362 147 HB2 ARG 20 2HB ARG 20 -13.633 6.421 2.013 148 HB3 ARG 20 1HB ARG 20 -14.346 6.979 3.517 149 HG2 ARG 20 2HG ARG 20 -12.575 8.481 2.817 150 HG3 ARG 20 1HG ARG 20 -12.111 7.673 4.315 151 HD2 ARG 20 2HD ARG 20 -10.403 6.459 3.294 152 HD3 ARG 20 1HD ARG 20 -11.205 6.447 1.722 153 HE ARG 20 HE ARG 20 -10.194 8.408 1.177 154 HH11 ARG 20 1HH1 ARG 20 -9.569 7.890 4.586 155 HH12 ARG 20 2HH1 ARG 20 -8.637 9.341 4.740 156 HH21 ARG 20 1HH2 ARG 20 -8.969 10.261 1.412 157 HH22 ARG 20 2HH2 ARG 20 -8.309 10.679 2.951 158 H GLU 21 H GLU 21 -15.270 4.983 5.212 159 HA GLU 21 HA GLU 21 -14.260 5.825 7.717 160 HB2 GLU 21 2HB GLU 21 -16.429 4.942 8.617 161 HB3 GLU 21 1HB GLU 21 -16.622 6.001 7.220 162 HG2 GLU 21 2HG GLU 21 -16.852 3.989 5.768 163 HG3 GLU 21 1HG GLU 21 -16.767 2.968 7.202 164 H THR 22 H THR 22 -14.594 2.553 6.300 165 HA THR 22 HA THR 22 -13.840 1.221 8.777 166 HB THR 22 HB THR 22 -14.018 -0.891 7.482 167 HG1 THR 22 HG1 THR 22 -13.995 -0.870 5.368 168 HG21 THR 22 3HG2 THR 22 -16.431 -0.791 6.959 169 HG22 THR 22 1HG2 THR 22 -16.372 0.973 6.992 170 HG23 THR 22 2HG2 THR 22 -16.083 0.053 8.471 171 H ILE 23 H ILE 23 -12.163 2.715 6.236 172 HA ILE 23 HA ILE 23 -9.747 1.135 6.340 173 HB ILE 23 HB ILE 23 -10.440 3.856 5.146 174 HG12 ILE 23 2HG1 ILE 23 -9.817 1.172 3.822 175 HG13 ILE 23 1HG1 ILE 23 -11.424 1.865 4.014 176 HG21 ILE 23 1HG2 ILE 23 -8.239 3.886 4.031 177 HG22 ILE 23 2HG2 ILE 23 -7.769 2.431 4.902 178 HG23 ILE 23 3HG2 ILE 23 -8.062 3.926 5.787 179 HD11 ILE 23 3HD1 ILE 23 -10.785 3.710 2.531 180 HD12 ILE 23 1HD1 ILE 23 -10.626 2.133 1.762 181 HD13 ILE 23 2HD1 ILE 23 -9.188 2.982 2.328 182 H THR 24 H THR 24 -8.505 1.158 8.120 183 HA THR 24 HA THR 24 -8.078 3.678 9.641 184 HB THR 24 HB THR 24 -7.812 2.304 11.712 185 HG1 THR 24 HG1 THR 24 -8.729 0.130 10.109 186 HG21 THR 24 3HG2 THR 24 -10.049 3.257 11.235 187 HG22 THR 24 1HG2 THR 24 -10.172 1.717 12.090 188 HG23 THR 24 2HG2 THR 24 -10.483 1.789 10.354 189 HA PRO 25 HA PRO 25 -3.710 3.156 8.803 190 HB2 PRO 25 2HB PRO 25 -2.546 3.722 11.289 191 HB3 PRO 25 1HB PRO 25 -3.089 4.938 10.127 192 HG2 PRO 25 2HG PRO 25 -4.529 3.829 12.531 193 HG3 PRO 25 1HG PRO 25 -4.404 5.516 11.983 194 HD2 PRO 25 2HD PRO 25 -6.624 4.094 11.521 195 HD3 PRO 25 1HD PRO 25 -6.004 5.202 10.274 196 H GLU 26 H GLU 26 -4.904 1.508 11.712 197 HA GLU 26 HA GLU 26 -2.592 -0.265 11.864 198 HB2 GLU 26 2HB GLU 26 -3.704 -1.167 13.903 199 HB3 GLU 26 1HB GLU 26 -3.471 0.576 13.956 200 HG2 GLU 26 2HG GLU 26 -5.858 0.893 13.306 201 HG3 GLU 26 1HG GLU 26 -6.072 -0.859 13.343 202 H SER 27 H SER 27 -5.525 -0.322 10.141 203 HA SER 27 HA SER 27 -6.106 -3.147 10.366 204 HB2 SER 27 2HB SER 27 -7.681 -2.773 8.481 205 HB3 SER 27 1HB SER 27 -7.899 -1.572 9.745 206 HG SER 27 HG SER 27 -6.132 -0.651 7.964 207 H HIS 28 H HIS 28 -5.363 -4.774 9.160 208 HA HIS 28 HA HIS 28 -3.108 -4.350 7.331 209 HB2 HIS 28 2HB HIS 28 -3.048 -6.028 9.221 210 HB3 HIS 28 1HB HIS 28 -4.306 -6.935 8.402 211 HD2 HIS 28 HD2 HIS 28 -0.582 -6.826 8.623 212 HE1 HIS 28 HE1 HIS 28 -1.472 -8.823 5.030 213 HE2 HIS 28 HE2 HIS 28 0.204 -8.571 6.898 214 H ALA 29 H ALA 29 -3.339 -4.555 5.138 215 HA ALA 29 HA ALA 29 -5.736 -4.562 3.799 216 HB1 ALA 29 3HB ALA 29 -4.478 -4.961 1.745 217 HB2 ALA 29 1HB ALA 29 -3.091 -5.527 2.680 218 HB3 ALA 29 2HB ALA 29 -3.605 -3.843 2.798 219 H ILE 30 H ILE 30 -3.571 -7.428 4.141 220 HA ILE 30 HA ILE 30 -5.387 -9.182 2.779 221 HB ILE 30 HB ILE 30 -2.952 -9.845 4.485 222 HG12 ILE 30 2HG1 ILE 30 -3.283 -9.636 1.451 223 HG13 ILE 30 1HG1 ILE 30 -2.411 -8.499 2.473 224 HG21 ILE 30 1HG2 ILE 30 -4.434 -11.802 4.383 225 HG22 ILE 30 2HG2 ILE 30 -2.978 -12.085 3.430 226 HG23 ILE 30 3HG2 ILE 30 -4.496 -11.683 2.623 227 HD11 ILE 30 3HD1 ILE 30 -0.892 -9.926 1.265 228 HD12 ILE 30 1HD1 ILE 30 -1.649 -11.369 1.937 229 HD13 ILE 30 2HD1 ILE 30 -0.774 -10.255 2.993 230 H ASP 31 H ASP 31 -4.583 -8.701 6.235 231 HA ASP 31 HA ASP 31 -6.243 -10.850 7.169 232 HB2 ASP 31 2HB ASP 31 -4.251 -10.174 8.431 233 HB3 ASP 31 1HB ASP 31 -4.926 -8.571 8.691 234 H ASP 32 H ASP 32 -6.561 -7.311 7.784 235 HA ASP 32 HA ASP 32 -9.228 -7.609 8.820 236 HB2 ASP 32 2HB ASP 32 -7.692 -5.924 9.750 237 HB3 ASP 32 1HB ASP 32 -7.600 -5.106 8.197 238 H LEU 33 H LEU 33 -7.908 -5.779 6.030 239 HA LEU 33 HA LEU 33 -10.461 -4.961 5.069 240 HB2 LEU 33 2HB LEU 33 -7.761 -4.930 3.682 241 HB3 LEU 33 1HB LEU 33 -9.201 -4.125 3.088 242 HG LEU 33 HG LEU 33 -7.648 -3.414 5.607 243 HD11 LEU 33 1HD1 LEU 33 -7.195 -1.306 4.404 244 HD12 LEU 33 2HD1 LEU 33 -8.035 -1.934 2.987 245 HD13 LEU 33 3HD1 LEU 33 -6.549 -2.705 3.550 246 HD21 LEU 33 3HD2 LEU 33 -10.027 -3.032 6.051 247 HD22 LEU 33 1HD2 LEU 33 -10.198 -2.141 4.533 248 HD23 LEU 33 2HD2 LEU 33 -9.201 -1.490 5.837 249 H GLY 34 H GLY 34 -8.408 -7.721 4.390 250 HA2 GLY 34 2HA GLY 34 -8.987 -9.708 3.326 251 HA3 GLY 34 1HA GLY 34 -10.461 -8.967 2.729 252 H ILE 35 H ILE 35 -7.947 -6.902 2.017 253 HA ILE 35 HA ILE 35 -7.892 -7.504 -0.789 254 HB ILE 35 HB ILE 35 -5.998 -5.644 0.717 255 HG12 ILE 35 2HG1 ILE 35 -8.659 -4.874 -0.573 256 HG13 ILE 35 1HG1 ILE 35 -8.430 -5.083 1.161 257 HG21 ILE 35 1HG2 ILE 35 -5.764 -4.512 -1.472 258 HG22 ILE 35 2HG2 ILE 35 -6.872 -5.671 -2.203 259 HG23 ILE 35 3HG2 ILE 35 -5.309 -6.210 -1.595 260 HD11 ILE 35 3HD1 ILE 35 -8.365 -2.762 0.573 261 HD12 ILE 35 1HD1 ILE 35 -7.071 -3.044 -0.584 262 HD13 ILE 35 2HD1 ILE 35 -6.777 -3.268 1.143 263 H ASP 36 H ASP 36 -6.992 -9.484 -1.147 264 HA ASP 36 HA ASP 36 -4.461 -10.380 -0.113 265 HB2 ASP 36 2HB ASP 36 -6.195 -12.004 -0.692 266 HB3 ASP 36 1HB ASP 36 -6.312 -11.376 -2.332 267 H SER 37 H SER 37 -2.696 -10.960 -1.615 268 HA SER 37 HA SER 37 -1.410 -8.840 -2.777 269 HB2 SER 37 2HB SER 37 0.119 -10.609 -3.748 270 HB3 SER 37 1HB SER 37 -0.232 -10.821 -2.033 271 HG SER 37 HG SER 37 -2.113 -12.138 -3.303 272 H LEU 38 H LEU 38 -3.911 -10.714 -4.341 273 HA LEU 38 HA LEU 38 -3.027 -10.158 -7.062 274 HB2 LEU 38 2HB LEU 38 -5.701 -11.278 -6.133 275 HB3 LEU 38 1HB LEU 38 -5.070 -11.300 -7.772 276 HG LEU 38 HG LEU 38 -4.018 -12.882 -5.402 277 HD11 LEU 38 1HD1 LEU 38 -6.091 -13.786 -6.322 278 HD12 LEU 38 2HD1 LEU 38 -4.741 -14.861 -6.669 279 HD13 LEU 38 3HD1 LEU 38 -5.388 -13.821 -7.941 280 HD21 LEU 38 3HD2 LEU 38 -2.431 -13.941 -6.973 281 HD22 LEU 38 1HD2 LEU 38 -2.113 -12.222 -6.759 282 HD23 LEU 38 2HD2 LEU 38 -2.909 -12.793 -8.228 283 H ASP 39 H ASP 39 -5.576 -9.100 -4.840 284 HA ASP 39 HA ASP 39 -6.839 -7.270 -6.671 285 HB2 ASP 39 2HB ASP 39 -8.014 -8.387 -4.720 286 HB3 ASP 39 1HB ASP 39 -7.070 -7.384 -3.624 287 H PHE 40 H PHE 40 -4.401 -7.119 -4.203 288 HA PHE 40 HA PHE 40 -4.186 -4.337 -3.846 289 HB2 PHE 40 2HB PHE 40 -3.272 -6.345 -2.409 290 HB3 PHE 40 1HB PHE 40 -1.857 -6.241 -3.439 291 HD1 PHE 40 HD1 PHE 40 -0.541 -4.018 -3.476 292 HD2 PHE 40 HD2 PHE 40 -3.569 -4.855 -0.582 293 HE1 PHE 40 HE1 PHE 40 0.366 -2.271 -2.015 294 HE2 PHE 40 HE2 PHE 40 -2.655 -3.103 0.866 295 HZ PHE 40 HZ PHE 40 -0.691 -1.823 0.152 296 H LEU 41 H LEU 41 -3.107 -6.396 -6.416 297 HA LEU 41 HA LEU 41 -0.857 -5.034 -7.406 298 HB2 LEU 41 2HB LEU 41 -2.980 -6.660 -8.851 299 HB3 LEU 41 1HB LEU 41 -1.534 -6.056 -9.648 300 HG LEU 41 HG LEU 41 -1.530 -7.995 -7.302 301 HD11 LEU 41 1HD1 LEU 41 -0.861 -9.720 -8.913 302 HD12 LEU 41 2HD1 LEU 41 -1.021 -8.564 -10.238 303 HD13 LEU 41 3HD1 LEU 41 -2.445 -9.058 -9.321 304 HD21 LEU 41 3HD2 LEU 41 0.772 -7.077 -9.059 305 HD22 LEU 41 1HD2 LEU 41 0.861 -8.247 -7.738 306 HD23 LEU 41 2HD2 LEU 41 0.485 -6.560 -7.398 307 H ASP 42 H ASP 42 -4.316 -4.453 -7.877 308 HA ASP 42 HA ASP 42 -3.953 -2.381 -9.859 309 HB2 ASP 42 2HB ASP 42 -5.983 -3.863 -9.786 310 HB3 ASP 42 1HB ASP 42 -6.474 -3.070 -8.293 311 H ILE 43 H ILE 43 -4.410 -2.487 -6.333 312 HA ILE 43 HA ILE 43 -4.742 0.291 -5.846 313 HB ILE 43 HB ILE 43 -3.207 -1.666 -4.065 314 HG12 ILE 43 2HG1 ILE 43 -6.184 -0.984 -4.047 315 HG13 ILE 43 1HG1 ILE 43 -5.466 -2.538 -4.472 316 HG21 ILE 43 1HG2 ILE 43 -4.555 0.963 -3.317 317 HG22 ILE 43 2HG2 ILE 43 -2.818 0.710 -3.479 318 HG23 ILE 43 3HG2 ILE 43 -3.710 -0.125 -2.210 319 HD11 ILE 43 3HD1 ILE 43 -4.645 -2.755 -2.161 320 HD12 ILE 43 1HD1 ILE 43 -6.398 -2.629 -2.268 321 HD13 ILE 43 2HD1 ILE 43 -5.450 -1.237 -1.755 322 H ALA 44 H ALA 44 -1.893 -1.772 -6.078 323 HA ALA 44 HA ALA 44 0.116 0.149 -5.542 324 HB1 ALA 44 3HB ALA 44 0.466 -2.272 -5.243 325 HB2 ALA 44 1HB ALA 44 1.677 -1.592 -6.333 326 HB3 ALA 44 2HB ALA 44 0.320 -2.516 -6.983 327 H PHE 45 H PHE 45 -1.432 -1.013 -8.467 328 HA PHE 45 HA PHE 45 0.131 0.290 -10.426 329 HB2 PHE 45 2HB PHE 45 -1.585 -1.563 -10.802 330 HB3 PHE 45 1HB PHE 45 -2.849 -0.352 -10.629 331 HD1 PHE 45 HD2 PHE 45 -0.069 -1.545 -12.757 332 HD2 PHE 45 HD1 PHE 45 -3.304 1.241 -12.447 333 HE1 PHE 45 HE2 PHE 45 0.122 -1.041 -15.160 334 HE2 PHE 45 HE1 PHE 45 -3.101 1.738 -14.846 335 HZ PHE 45 HZ PHE 45 -1.389 0.595 -16.206 336 H ALA 46 H ALA 46 -2.779 1.301 -8.664 337 HA ALA 46 HA ALA 46 -3.100 3.855 -9.887 338 HB1 ALA 46 3HB ALA 46 -4.947 2.717 -8.735 339 HB2 ALA 46 1HB ALA 46 -4.666 4.310 -8.030 340 HB3 ALA 46 2HB ALA 46 -4.100 2.858 -7.196 341 H ILE 47 H ILE 47 -1.307 2.717 -7.073 342 HA ILE 47 HA ILE 47 -0.666 5.211 -5.904 343 HB ILE 47 HB ILE 47 0.575 2.439 -5.670 344 HG12 ILE 47 2HG1 ILE 47 -1.003 4.063 -3.618 345 HG13 ILE 47 1HG1 ILE 47 -1.747 2.905 -4.707 346 HG21 ILE 47 1HG2 ILE 47 1.390 4.879 -4.045 347 HG22 ILE 47 2HG2 ILE 47 2.408 4.004 -5.189 348 HG23 ILE 47 3HG2 ILE 47 1.874 3.217 -3.706 349 HD11 ILE 47 3HD1 ILE 47 -0.525 1.098 -3.681 350 HD12 ILE 47 1HD1 ILE 47 -1.382 2.025 -2.452 351 HD13 ILE 47 2HD1 ILE 47 0.357 2.232 -2.658 352 H ASP 48 H ASP 48 1.027 3.191 -8.303 353 HA ASP 48 HA ASP 48 3.395 4.617 -8.684 354 HB2 ASP 48 2HB ASP 48 1.705 3.305 -10.856 355 HB3 ASP 48 1HB ASP 48 3.396 3.754 -11.031 356 H LYS 49 H LYS 49 0.178 5.227 -9.990 357 HA LYS 49 HA LYS 49 1.042 7.312 -11.828 358 HB2 LYS 49 2HB LYS 49 -1.768 6.359 -11.116 359 HB3 LYS 49 1HB LYS 49 -1.333 7.364 -12.502 360 HG2 LYS 49 2HG LYS 49 -0.040 5.520 -13.471 361 HG3 LYS 49 1HG LYS 49 -0.351 4.518 -12.054 362 HD2 LYS 49 2HD LYS 49 -1.832 3.796 -13.822 363 HD3 LYS 49 1HD LYS 49 -2.807 4.610 -12.595 364 HE2 LYS 49 2HE LYS 49 -3.517 5.294 -14.837 365 HE3 LYS 49 1HE LYS 49 -2.818 6.664 -13.978 366 HZ1 LYS 49 3HZ LYS 49 -0.745 6.305 -15.205 367 HZ2 LYS 49 1HZ LYS 49 -2.046 6.588 -16.249 368 HZ3 LYS 49 2HZ LYS 49 -1.452 5.019 -16.045 369 H ALA 50 H ALA 50 -0.730 7.076 -8.796 370 HA ALA 50 HA ALA 50 -1.650 9.757 -8.591 371 HB1 ALA 50 3HB ALA 50 -2.743 7.898 -7.402 372 HB2 ALA 50 1HB ALA 50 -2.241 9.154 -6.269 373 HB3 ALA 50 2HB ALA 50 -1.302 7.665 -6.415 374 H PHE 51 H PHE 51 0.987 7.995 -6.996 375 HA PHE 51 HA PHE 51 2.035 10.395 -5.711 376 HB2 PHE 51 2HB PHE 51 2.916 7.481 -5.577 377 HB3 PHE 51 1HB PHE 51 3.645 8.786 -4.644 378 HD1 PHE 51 HD1 PHE 51 0.457 6.906 -5.166 379 HD2 PHE 51 HD2 PHE 51 2.633 9.538 -2.589 380 HE1 PHE 51 HE1 PHE 51 -1.224 6.576 -3.400 381 HE2 PHE 51 HE2 PHE 51 0.951 9.187 -0.828 382 HZ PHE 51 HZ PHE 51 -0.970 7.706 -1.231 383 H GLY 52 H GLY 52 2.702 8.453 -8.518 384 HA2 GLY 52 2HA GLY 52 4.211 8.701 -10.237 385 HA3 GLY 52 1HA GLY 52 4.763 10.201 -9.498 386 H ILE 53 H ILE 53 4.725 6.774 -8.544 387 HA ILE 53 HA ILE 53 7.653 6.767 -8.095 388 HB ILE 53 HB ILE 53 7.337 5.486 -5.972 389 HG12 ILE 53 2HG1 ILE 53 4.373 6.229 -6.226 390 HG13 ILE 53 1HG1 ILE 53 5.039 4.608 -6.400 391 HG21 ILE 53 1HG2 ILE 53 6.769 7.379 -4.501 392 HG22 ILE 53 2HG2 ILE 53 6.065 8.241 -5.871 393 HG23 ILE 53 3HG2 ILE 53 7.794 7.893 -5.845 394 HD11 ILE 53 3HD1 ILE 53 4.014 4.904 -4.237 395 HD12 ILE 53 1HD1 ILE 53 5.064 6.278 -3.901 396 HD13 ILE 53 2HD1 ILE 53 5.749 4.660 -4.062 397 H LYS 54 H LYS 54 8.203 4.352 -7.371 398 HA LYS 54 HA LYS 54 6.782 2.414 -9.106 399 HB2 LYS 54 2HB LYS 54 9.098 2.933 -9.870 400 HB3 LYS 54 1HB LYS 54 9.728 2.478 -8.289 401 HG2 LYS 54 2HG LYS 54 8.856 0.158 -8.670 402 HG3 LYS 54 1HG LYS 54 8.360 0.650 -10.291 403 HD2 LYS 54 2HD LYS 54 10.487 -0.501 -10.470 404 HD3 LYS 54 1HD LYS 54 10.750 1.211 -10.808 405 HE2 LYS 54 2HE LYS 54 11.556 1.514 -8.452 406 HE3 LYS 54 1HE LYS 54 11.382 -0.226 -8.202 407 HZ1 LYS 54 3HZ LYS 54 12.985 -0.572 -9.982 408 HZ2 LYS 54 1HZ LYS 54 13.644 0.354 -8.726 409 HZ3 LYS 54 2HZ LYS 54 13.164 1.097 -10.168 410 H LEU 55 H LEU 55 5.485 1.317 -7.716 411 HA LEU 55 HA LEU 55 6.569 0.283 -5.164 412 HB2 LEU 55 2HB LEU 55 4.362 1.611 -5.238 413 HB3 LEU 55 1HB LEU 55 3.657 0.266 -6.113 414 HG LEU 55 HG LEU 55 4.853 -0.037 -3.318 415 HD11 LEU 55 1HD1 LEU 55 1.945 0.498 -3.989 416 HD12 LEU 55 2HD1 LEU 55 3.049 1.617 -3.187 417 HD13 LEU 55 3HD1 LEU 55 2.591 0.115 -2.389 418 HD21 LEU 55 3HD2 LEU 55 2.890 -1.813 -4.812 419 HD22 LEU 55 1HD2 LEU 55 3.455 -2.060 -3.157 420 HD23 LEU 55 2HD2 LEU 55 4.588 -2.170 -4.501 421 HA PRO 56 HA PRO 56 6.648 -3.458 -7.887 422 HB2 PRO 56 2HB PRO 56 8.953 -4.556 -6.995 423 HB3 PRO 56 1HB PRO 56 8.963 -3.136 -8.047 424 HG2 PRO 56 2HG PRO 56 9.404 -3.303 -5.087 425 HG3 PRO 56 1HG PRO 56 10.201 -2.256 -6.277 426 HD2 PRO 56 2HD PRO 56 8.058 -1.517 -4.595 427 HD3 PRO 56 1HD PRO 56 8.607 -0.620 -6.027 428 H LEU 57 H LEU 57 4.722 -4.164 -6.814 429 HA LEU 57 HA LEU 57 4.692 -5.139 -4.126 430 HB2 LEU 57 2HB LEU 57 2.648 -4.217 -5.201 431 HB3 LEU 57 1HB LEU 57 2.606 -5.601 -6.286 432 HG LEU 57 HG LEU 57 2.394 -7.096 -4.235 433 HD11 LEU 57 1HD1 LEU 57 3.279 -5.590 -2.522 434 HD12 LEU 57 2HD1 LEU 57 1.645 -6.103 -2.112 435 HD13 LEU 57 3HD1 LEU 57 1.917 -4.485 -2.757 436 HD21 LEU 57 3HD2 LEU 57 0.169 -5.111 -4.743 437 HD22 LEU 57 1HD2 LEU 57 -0.006 -6.642 -3.882 438 HD23 LEU 57 2HD2 LEU 57 0.447 -6.638 -5.580 439 H GLU 58 H GLU 58 5.098 -6.703 -7.267 440 HA GLU 58 HA GLU 58 4.653 -9.379 -6.518 441 HB2 GLU 58 2HB GLU 58 5.958 -10.016 -8.499 442 HB3 GLU 58 1HB GLU 58 4.819 -8.730 -8.878 443 HG2 GLU 58 2HG GLU 58 6.571 -7.079 -8.933 444 HG3 GLU 58 1HG GLU 58 7.751 -8.225 -8.289 445 H LYS 59 H LYS 59 7.396 -7.264 -6.120 446 HA LYS 59 HA LYS 59 9.257 -9.317 -5.271 447 HB2 LYS 59 2HB LYS 59 10.031 -7.250 -6.449 448 HB3 LYS 59 1HB LYS 59 9.476 -6.286 -5.084 449 HG2 LYS 59 2HG LYS 59 11.103 -7.609 -3.624 450 HG3 LYS 59 1HG LYS 59 11.741 -8.313 -5.113 451 HD2 LYS 59 2HD LYS 59 13.146 -6.432 -4.425 452 HD3 LYS 59 1HD LYS 59 12.314 -6.036 -5.933 453 HE2 LYS 59 2HE LYS 59 10.628 -4.727 -4.631 454 HE3 LYS 59 1HE LYS 59 11.507 -5.104 -3.148 455 HZ1 LYS 59 3HZ LYS 59 12.075 -2.925 -3.981 456 HZ2 LYS 59 1HZ LYS 59 12.574 -3.586 -5.455 457 HZ3 LYS 59 2HZ LYS 59 13.420 -3.946 -4.041 458 H TRP 60 H TRP 60 7.256 -6.776 -3.771 459 HA TRP 60 HA TRP 60 8.065 -7.006 -1.086 460 HB2 TRP 60 2HB TRP 60 5.402 -6.140 -2.302 461 HB3 TRP 60 1HB TRP 60 5.722 -6.064 -0.574 462 HD1 TRP 60 HD1 TRP 60 8.724 -5.052 -2.626 463 HE1 TRP 60 HE1 TRP 60 8.989 -2.508 -2.544 464 HE3 TRP 60 HE3 TRP 60 4.228 -3.809 -0.522 465 HZ2 TRP 60 HZ2 TRP 60 7.547 -0.275 -1.695 466 HZ3 TRP 60 HZ3 TRP 60 3.757 -1.433 -0.101 467 HH2 TRP 60 HH2 TRP 60 5.385 0.300 -0.680 468 H THR 61 H THR 61 5.458 -8.634 -2.832 469 HA THR 61 HA THR 61 4.588 -10.336 -0.758 470 HB THR 61 HB THR 61 4.153 -10.543 -3.777 471 HG1 THR 61 HG1 THR 61 3.391 -8.576 -2.960 472 HG21 THR 61 3HG2 THR 61 2.530 -11.753 -1.501 473 HG22 THR 61 1HG2 THR 61 3.547 -12.657 -2.627 474 HG23 THR 61 2HG2 THR 61 2.111 -11.818 -3.212 475 H GLN 62 H GLN 62 7.053 -10.609 -3.268 476 HA GLN 62 HA GLN 62 7.526 -13.420 -3.029 477 HB2 GLN 62 2HB GLN 62 8.188 -12.012 -5.021 478 HB3 GLN 62 1HB GLN 62 9.458 -11.286 -4.048 479 HG2 GLN 62 2HG GLN 62 10.385 -13.004 -5.486 480 HG3 GLN 62 1HG GLN 62 10.515 -13.511 -3.799 481 HE21 GLN 62 1HE2 GLN 62 8.841 -14.027 -6.823 482 HE22 GLN 62 2HE2 GLN 62 8.192 -15.577 -6.440 483 H GLU 63 H GLU 63 8.846 -10.545 -1.481 484 HA GLU 63 HA GLU 63 10.895 -11.729 0.048 485 HB2 GLU 63 2HB GLU 63 9.281 -9.190 0.492 486 HB3 GLU 63 1HB GLU 63 10.626 -9.669 1.526 487 HG2 GLU 63 2HG GLU 63 12.167 -9.571 -0.377 488 HG3 GLU 63 1HG GLU 63 10.836 -9.170 -1.459 489 H VAL 64 H VAL 64 7.439 -11.394 0.541 490 HA VAL 64 HA VAL 64 7.379 -12.472 3.176 491 HB VAL 64 HB VAL 64 5.156 -12.404 1.091 492 HG11 VAL 64 1HG1 VAL 64 3.594 -12.661 2.995 493 HG12 VAL 64 2HG1 VAL 64 4.962 -12.801 4.105 494 HG13 VAL 64 3HG1 VAL 64 4.690 -14.036 2.878 495 HG21 VAL 64 3HG2 VAL 64 4.370 -10.348 2.247 496 HG22 VAL 64 1HG2 VAL 64 6.000 -10.139 1.605 497 HG23 VAL 64 2HG2 VAL 64 5.764 -10.420 3.329 498 H ASN 65 H ASN 65 6.963 -13.866 -0.090 499 HA ASN 65 HA ASN 65 6.372 -16.506 0.553 500 HB2 ASN 65 2HB ASN 65 7.935 -15.461 -1.849 501 HB3 ASN 65 1HB ASN 65 7.314 -17.104 -1.717 502 HD21 ASN 65 1HD2 ASN 65 6.702 -15.063 -3.712 503 HD22 ASN 65 2HD2 ASN 65 4.987 -14.839 -3.653 504 H ASP 66 H ASP 66 9.568 -15.005 0.142 505 HA ASP 66 HA ASP 66 11.016 -17.486 0.622 506 HB2 ASP 66 2HB ASP 66 11.995 -14.647 0.107 507 HB3 ASP 66 1HB ASP 66 13.061 -16.036 0.293 508 H GLY 67 H GLY 67 9.689 -15.076 2.590 509 HA2 GLY 67 2HA GLY 67 9.771 -14.772 4.865 510 HA3 GLY 67 1HA GLY 67 11.028 -15.994 4.980 511 H LYS 68 H LYS 68 11.597 -13.453 2.755 512 HA LYS 68 HA LYS 68 13.798 -12.299 4.146 513 HB2 LYS 68 2HB LYS 68 12.258 -11.117 1.801 514 HB3 LYS 68 1HB LYS 68 13.899 -10.711 2.286 515 HG2 LYS 68 2HG LYS 68 13.009 -13.407 1.208 516 HG3 LYS 68 1HG LYS 68 13.776 -12.143 0.246 517 HD2 LYS 68 2HD LYS 68 15.044 -13.562 2.625 518 HD3 LYS 68 1HD LYS 68 15.359 -13.944 0.933 519 HE2 LYS 68 2HE LYS 68 16.301 -11.675 0.601 520 HE3 LYS 68 1HE LYS 68 15.966 -11.291 2.289 521 HZ1 LYS 68 3HZ LYS 68 18.271 -11.920 1.911 522 HZ2 LYS 68 1HZ LYS 68 17.784 -13.447 1.370 523 HZ3 LYS 68 2HZ LYS 68 17.503 -12.985 2.974 524 H ALA 69 H ALA 69 10.378 -11.672 4.076 525 HA ALA 69 HA ALA 69 10.460 -9.588 6.065 526 HB1 ALA 69 3HB ALA 69 9.485 -8.849 3.273 527 HB2 ALA 69 1HB ALA 69 10.953 -8.241 4.044 528 HB3 ALA 69 2HB ALA 69 9.373 -7.830 4.711 529 H THR 70 H THR 70 8.145 -8.754 6.447 530 HA THR 70 HA THR 70 6.255 -11.033 6.273 531 HB THR 70 HB THR 70 6.855 -10.509 8.578 532 HG1 THR 70 HG1 THR 70 4.711 -11.123 8.305 533 HG21 THR 70 3HG2 THR 70 5.810 -7.695 8.089 534 HG22 THR 70 1HG2 THR 70 7.502 -8.128 8.338 535 HG23 THR 70 2HG2 THR 70 6.335 -8.343 9.642 536 H THR 71 H THR 71 3.995 -10.574 6.038 537 HA THR 71 HA THR 71 3.206 -8.730 4.050 538 HB THR 71 HB THR 71 0.839 -9.308 4.776 539 HG1 THR 71 HG1 THR 71 0.826 -11.122 6.378 540 HG21 THR 71 3HG2 THR 71 1.967 -10.727 3.111 541 HG22 THR 71 1HG2 THR 71 0.918 -11.683 4.158 542 HG23 THR 71 2HG2 THR 71 2.665 -11.701 4.409 543 H GLU 72 H GLU 72 3.130 -8.623 7.579 544 HA GLU 72 HA GLU 72 1.464 -6.462 8.096 545 HB2 GLU 72 2HB GLU 72 2.384 -7.963 9.832 546 HB3 GLU 72 1HB GLU 72 3.996 -7.318 9.558 547 HG2 GLU 72 2HG GLU 72 3.304 -5.130 10.430 548 HG3 GLU 72 1HG GLU 72 1.653 -5.712 10.633 549 H GLN 73 H GLN 73 4.869 -6.484 7.235 550 HA GLN 73 HA GLN 73 5.501 -3.761 7.599 551 HB2 GLN 73 2HB GLN 73 7.202 -5.508 7.505 552 HB3 GLN 73 1HB GLN 73 6.761 -5.916 5.852 553 HG2 GLN 73 2HG GLN 73 7.621 -3.764 5.061 554 HG3 GLN 73 1HG GLN 73 7.977 -3.270 6.715 555 HE21 GLN 73 1HE2 GLN 73 9.091 -5.782 7.594 556 HE22 GLN 73 2HE2 GLN 73 10.605 -5.983 6.791 557 H TYR 74 H TYR 74 3.938 -5.430 4.921 558 HA TYR 74 HA TYR 74 4.318 -3.100 3.118 559 HB2 TYR 74 2HB TYR 74 3.971 -6.056 2.455 560 HB3 TYR 74 1HB TYR 74 4.074 -4.764 1.257 561 HD1 TYR 74 HD1 TYR 74 6.266 -3.068 2.156 562 HD2 TYR 74 HD2 TYR 74 5.974 -7.336 2.274 563 HE1 TYR 74 HE1 TYR 74 8.707 -3.245 2.048 564 HE2 TYR 74 HE2 TYR 74 8.426 -7.488 2.171 565 HH TYR 74 HH TYR 74 10.321 -6.104 1.396 566 H PHE 75 H PHE 75 1.853 -4.596 4.898 567 HA PHE 75 HA PHE 75 -0.208 -3.873 2.893 568 HB2 PHE 75 2HB PHE 75 -0.036 -6.450 4.497 569 HB3 PHE 75 1HB PHE 75 -1.523 -5.913 3.727 570 HD1 PHE 75 HD1 PHE 75 1.896 -7.213 3.100 571 HD2 PHE 75 HD2 PHE 75 -1.808 -6.074 1.296 572 HE1 PHE 75 HE1 PHE 75 2.582 -8.303 0.999 573 HE2 PHE 75 HE2 PHE 75 -1.115 -7.163 -0.797 574 HZ PHE 75 HZ PHE 75 1.078 -8.274 -0.953 575 H VAL 76 H VAL 76 0.551 -4.143 6.411 576 HA VAL 76 HA VAL 76 -1.893 -3.037 7.364 577 HB VAL 76 HB VAL 76 0.911 -2.613 8.530 578 HG11 VAL 76 1HG1 VAL 76 -1.796 -2.025 9.815 579 HG12 VAL 76 2HG1 VAL 76 -0.604 -0.825 9.312 580 HG13 VAL 76 3HG1 VAL 76 -0.234 -1.931 10.634 581 HG21 VAL 76 3HG2 VAL 76 -1.286 -4.547 9.342 582 HG22 VAL 76 1HG2 VAL 76 0.245 -4.323 10.193 583 HG23 VAL 76 2HG2 VAL 76 0.234 -4.965 8.551 584 H LEU 77 H LEU 77 -2.656 -0.901 7.275 585 HA LEU 77 HA LEU 77 -1.803 0.374 4.901 586 HB2 LEU 77 2HB LEU 77 -3.722 1.465 6.972 587 HB3 LEU 77 1HB LEU 77 -3.566 2.008 5.304 588 HG LEU 77 HG LEU 77 -4.673 -0.626 6.310 589 HD11 LEU 77 1HD1 LEU 77 -6.668 0.020 5.083 590 HD12 LEU 77 2HD1 LEU 77 -5.888 1.509 4.548 591 HD13 LEU 77 3HD1 LEU 77 -6.227 1.250 6.263 592 HD21 LEU 77 3HD2 LEU 77 -4.925 -1.345 3.948 593 HD22 LEU 77 1HD2 LEU 77 -3.245 -1.254 4.461 594 HD23 LEU 77 2HD2 LEU 77 -3.924 0.016 3.442 595 H LYS 78 H LYS 78 -1.251 1.320 8.276 596 HA LYS 78 HA LYS 78 0.051 3.787 7.681 597 HB2 LYS 78 2HB LYS 78 0.858 3.735 10.030 598 HB3 LYS 78 1HB LYS 78 -0.867 3.419 9.902 599 HG2 LYS 78 2HG LYS 78 -0.414 0.980 10.172 600 HG3 LYS 78 1HG LYS 78 1.300 1.348 10.389 601 HD2 LYS 78 2HD LYS 78 0.796 2.638 12.415 602 HD3 LYS 78 1HD LYS 78 -0.935 2.390 12.178 603 HE2 LYS 78 2HE LYS 78 -0.618 -0.047 12.486 604 HE3 LYS 78 1HE LYS 78 1.109 0.212 12.745 605 HZ1 LYS 78 3HZ LYS 78 -1.085 1.271 14.448 606 HZ2 LYS 78 1HZ LYS 78 0.566 1.534 14.696 607 HZ3 LYS 78 2HZ LYS 78 -0.064 -0.024 14.829 608 H ASN 79 H ASN 79 1.254 0.455 8.085 609 HA ASN 79 HA ASN 79 4.041 1.025 7.958 610 HB2 ASN 79 2HB ASN 79 2.509 -1.535 7.303 611 HB3 ASN 79 1HB ASN 79 4.264 -1.437 7.399 612 HD21 ASN 79 1HD2 ASN 79 4.333 -2.960 9.051 613 HD22 ASN 79 2HD2 ASN 79 3.807 -2.626 10.662 614 H LEU 80 H LEU 80 1.763 -0.191 5.549 615 HA LEU 80 HA LEU 80 3.096 -0.062 3.185 616 HB2 LEU 80 2HB LEU 80 0.869 -0.995 3.317 617 HB3 LEU 80 1HB LEU 80 0.204 0.521 3.901 618 HG LEU 80 HG LEU 80 0.700 1.526 1.623 619 HD11 LEU 80 1HD1 LEU 80 2.434 -0.021 0.839 620 HD12 LEU 80 2HD1 LEU 80 1.080 0.036 -0.289 621 HD13 LEU 80 3HD1 LEU 80 1.256 -1.341 0.799 622 HD21 LEU 80 3HD2 LEU 80 -1.253 0.521 0.532 623 HD22 LEU 80 1HD2 LEU 80 -1.560 0.819 2.242 624 HD23 LEU 80 2HD2 LEU 80 -1.220 -0.821 1.679 625 H ALA 81 H ALA 81 1.341 2.569 4.840 626 HA ALA 81 HA ALA 81 1.772 4.574 2.867 627 HB1 ALA 81 3HB ALA 81 0.972 6.174 4.547 628 HB2 ALA 81 1HB ALA 81 1.116 4.947 5.811 629 HB3 ALA 81 2HB ALA 81 -0.058 4.741 4.511 630 H ALA 82 H ALA 82 3.679 3.390 5.561 631 HA ALA 82 HA ALA 82 5.596 5.536 5.574 632 HB1 ALA 82 3HB ALA 82 5.805 2.733 6.713 633 HB2 ALA 82 1HB ALA 82 5.207 4.154 7.570 634 HB3 ALA 82 2HB ALA 82 6.897 4.075 7.065 635 H ARG 83 H ARG 83 5.444 2.266 4.124 636 HA ARG 83 HA ARG 83 7.910 2.151 2.831 637 HB2 ARG 83 2HB ARG 83 5.255 1.049 1.801 638 HB3 ARG 83 1HB ARG 83 6.849 0.563 1.244 639 HG2 ARG 83 2HG ARG 83 5.628 0.024 3.969 640 HG3 ARG 83 1HG ARG 83 5.945 -1.143 2.684 641 HD2 ARG 83 2HD ARG 83 8.009 0.367 4.321 642 HD3 ARG 83 1HD ARG 83 7.647 -1.356 4.404 643 HE ARG 83 HE ARG 83 8.542 -1.544 2.109 644 HH11 ARG 83 1HH1 ARG 83 9.462 1.287 3.943 645 HH12 ARG 83 2HH1 ARG 83 10.966 1.491 3.106 646 HH21 ARG 83 1HH2 ARG 83 10.519 -1.235 0.993 647 HH22 ARG 83 2HH2 ARG 83 11.543 0.096 1.430 648 H ILE 84 H ILE 84 4.827 3.395 1.693 649 HA ILE 84 HA ILE 84 5.634 4.278 -0.881 650 HB ILE 84 HB ILE 84 3.215 5.007 0.830 651 HG12 ILE 84 2HG1 ILE 84 3.432 3.135 -1.582 652 HG13 ILE 84 1HG1 ILE 84 3.449 2.598 0.096 653 HG21 ILE 84 1HG2 ILE 84 2.136 5.914 -1.214 654 HG22 ILE 84 2HG2 ILE 84 3.633 5.677 -2.114 655 HG23 ILE 84 3HG2 ILE 84 3.577 6.838 -0.788 656 HD11 ILE 84 3HD1 ILE 84 1.177 3.996 -1.291 657 HD12 ILE 84 1HD1 ILE 84 1.189 3.457 0.391 658 HD13 ILE 84 2HD1 ILE 84 1.291 2.276 -0.916 659 H ASP 85 H ASP 85 5.113 6.018 2.212 660 HA ASP 85 HA ASP 85 5.956 8.547 1.504 661 HB2 ASP 85 2HB ASP 85 5.004 7.972 3.722 662 HB3 ASP 85 1HB ASP 85 6.499 7.150 4.160 663 H GLU 86 H GLU 86 7.965 5.743 2.327 664 HA GLU 86 HA GLU 86 10.470 7.037 2.266 665 HB2 GLU 86 2HB GLU 86 10.168 4.791 3.240 666 HB3 GLU 86 1HB GLU 86 9.762 4.143 1.655 667 HG2 GLU 86 2HG GLU 86 12.040 4.664 0.848 668 HG3 GLU 86 1HG GLU 86 12.452 5.317 2.434 669 H LEU 87 H LEU 87 8.595 5.358 -0.249 670 HA LEU 87 HA LEU 87 10.417 5.630 -2.379 671 HB2 LEU 87 2HB LEU 87 7.389 5.396 -2.521 672 HB3 LEU 87 1HB LEU 87 8.496 5.117 -3.861 673 HG LEU 87 HG LEU 87 8.362 3.441 -1.318 674 HD11 LEU 87 1HD1 LEU 87 6.385 3.093 -2.715 675 HD12 LEU 87 2HD1 LEU 87 7.414 1.663 -2.704 676 HD13 LEU 87 3HD1 LEU 87 7.412 2.735 -4.107 677 HD21 LEU 87 3HD2 LEU 87 10.043 3.006 -3.809 678 HD22 LEU 87 1HD2 LEU 87 9.898 1.890 -2.447 679 HD23 LEU 87 2HD2 LEU 87 10.642 3.467 -2.211 680 H VAL 88 H VAL 88 7.794 7.821 -1.324 681 HA VAL 88 HA VAL 88 8.083 9.618 -3.565 682 HB VAL 88 HB VAL 88 6.411 11.048 -2.537 683 HG11 VAL 88 1HG1 VAL 88 4.514 9.472 -2.303 684 HG12 VAL 88 2HG1 VAL 88 5.648 8.129 -2.157 685 HG13 VAL 88 3HG1 VAL 88 5.556 9.046 -3.660 686 HG21 VAL 88 3HG2 VAL 88 5.433 10.632 -0.295 687 HG22 VAL 88 1HG2 VAL 88 7.149 11.039 -0.193 688 HG23 VAL 88 2HG2 VAL 88 6.629 9.365 -0.015 689 H ALA 89 H ALA 89 9.402 9.433 -0.314 690 HA ALA 89 HA ALA 89 10.649 12.039 -0.343 691 HB1 ALA 89 3HB ALA 89 10.136 10.913 1.782 692 HB2 ALA 89 1HB ALA 89 11.864 11.250 1.651 693 HB3 ALA 89 2HB ALA 89 11.253 9.613 1.378 694 H ALA 90 H ALA 90 11.640 8.720 -1.092 695 HA ALA 90 HA ALA 90 14.297 8.975 -1.665 696 HB1 ALA 90 3HB ALA 90 13.103 6.826 -1.568 697 HB2 ALA 90 1HB ALA 90 14.063 6.964 -3.043 698 HB3 ALA 90 2HB ALA 90 12.311 7.185 -3.101 699 H LYS 91 H LYS 91 11.583 9.406 -3.973 700 HA LYS 91 HA LYS 91 13.232 10.156 -6.177 701 HB2 LYS 91 2HB LYS 91 11.198 10.819 -7.332 702 HB3 LYS 91 1HB LYS 91 10.929 9.302 -6.484 703 HG2 LYS 91 2HG LYS 91 9.744 10.537 -4.685 704 HG3 LYS 91 1HG LYS 91 9.968 12.041 -5.587 705 HD2 LYS 91 2HD LYS 91 8.662 11.062 -7.478 706 HD3 LYS 91 1HD LYS 91 8.399 9.600 -6.521 707 HE2 LYS 91 2HE LYS 91 6.429 11.012 -6.404 708 HE3 LYS 91 1HE LYS 91 7.205 10.985 -4.822 709 HZ1 LYS 91 3HZ LYS 91 7.465 13.147 -6.842 710 HZ2 LYS 91 1HZ LYS 91 8.177 13.144 -5.305 711 HZ3 LYS 91 2HZ LYS 91 6.492 13.202 -5.463 712 H GLY 92 H GLY 92 11.671 12.016 -3.598 713 HA2 GLY 92 2HA GLY 92 12.430 14.632 -4.426 714 HA3 GLY 92 1HA GLY 92 12.011 14.142 -2.796 715 H ALA 93 H ALA 93 14.181 12.067 -2.924 716 HA ALA 93 HA ALA 93 16.389 13.686 -1.929 717 HB1 ALA 93 3HB ALA 93 16.117 10.669 -2.157 718 HB2 ALA 93 1HB ALA 93 15.729 11.637 -0.729 719 HB3 ALA 93 2HB ALA 93 17.395 11.527 -1.292 720 H LEU 94 H LEU 94 15.669 11.586 -4.693 721 HA LEU 94 HA LEU 94 18.153 11.601 -6.000 722 HB2 LEU 94 2HB LEU 94 15.355 11.391 -7.170 723 HB3 LEU 94 1HB LEU 94 16.830 11.081 -8.078 724 HG LEU 94 HG LEU 94 15.881 9.466 -5.671 725 HD11 LEU 94 1HD1 LEU 94 14.483 9.065 -7.648 726 HD12 LEU 94 2HD1 LEU 94 15.467 7.651 -7.279 727 HD13 LEU 94 3HD1 LEU 94 15.919 8.718 -8.612 728 HD21 LEU 94 3HD2 LEU 94 17.730 7.915 -6.228 729 HD22 LEU 94 1HD2 LEU 94 18.324 9.507 -5.756 730 HD23 LEU 94 2HD2 LEU 94 18.305 9.043 -7.459 731 H GLU 95 H GLU 95 15.888 14.221 -5.646 732 HA GLU 95 HA GLU 95 16.667 15.910 -7.757 733 HB2 GLU 95 2HB GLU 95 14.855 16.507 -6.149 734 HB3 GLU 95 1HB GLU 95 16.051 16.695 -4.869 735 HG2 GLU 95 2HG GLU 95 17.100 18.553 -6.265 736 HG3 GLU 95 1HG GLU 95 15.710 18.426 -7.343 737 H HIS 96 H HIS 96 18.195 15.171 -4.676 738 HA HIS 96 HA HIS 96 20.580 16.809 -5.235 739 HB2 HIS 96 2HB HIS 96 19.783 15.239 -2.735 740 HB3 HIS 96 1HB HIS 96 21.188 16.296 -2.877 741 HD1 HIS 96 HD1 HIS 96 19.153 16.833 -0.701 742 HD2 HIS 96 HD2 HIS 96 18.951 18.570 -4.471 743 HE1 HIS 96 HE1 HIS 96 17.839 18.945 -0.405 744 HE2 HIS 96 HE2 HIS 96 17.544 19.846 -2.731 745 H HIS 97 H HIS 97 20.524 14.949 -7.073 746 HA HIS 97 HA HIS 97 21.624 12.390 -6.347 747 HB2 HIS 97 2HB HIS 97 20.145 12.916 -8.400 748 HB3 HIS 97 1HB HIS 97 21.569 13.625 -9.142 749 HD1 HIS 97 HD1 HIS 97 19.774 10.520 -8.860 750 HD2 HIS 97 HD2 HIS 97 23.758 11.583 -9.397 751 HE1 HIS 97 HE1 HIS 97 20.905 8.468 -9.750 752 HE2 HIS 97 HE2 HIS 97 23.327 9.108 -9.986 753 H HIS 98 H HIS 98 23.657 12.366 -5.534 754 HA HIS 98 HA HIS 98 25.794 14.091 -6.626 755 HB2 HIS 98 2HB HIS 98 25.815 12.293 -4.152 756 HB3 HIS 98 1HB HIS 98 27.099 13.402 -4.632 757 HD1 HIS 98 HD1 HIS 98 24.002 13.207 -2.689 758 HD2 HIS 98 HD2 HIS 98 26.325 16.197 -4.394 759 HE1 HIS 98 HE1 HIS 98 23.258 15.340 -1.594 760 HE2 HIS 98 HE2 HIS 98 24.759 17.115 -2.560 761 H HIS 99 H HIS 99 27.599 13.215 -7.640 762 HA HIS 99 HA HIS 99 27.482 10.436 -8.529 763 HB2 HIS 99 2HB HIS 99 29.313 12.761 -9.226 764 HB3 HIS 99 1HB HIS 99 29.634 11.132 -9.804 765 HD1 HIS 99 HD1 HIS 99 28.688 13.919 -11.344 766 HD2 HIS 99 HD2 HIS 99 26.631 10.339 -10.856 767 HE1 HIS 99 HE1 HIS 99 27.090 13.795 -13.274 768 HE2 HIS 99 HE2 HIS 99 25.846 11.637 -12.955 769 H HIS 100 H HIS 100 27.716 9.743 -6.179 770 HA HIS 100 HA HIS 100 30.267 9.830 -4.894 771 HB2 HIS 100 2HB HIS 100 28.205 9.252 -3.636 772 HB3 HIS 100 1HB HIS 100 28.012 7.792 -4.599 773 HD1 HIS 100 HD1 HIS 100 28.677 5.788 -3.274 774 HD2 HIS 100 HD2 HIS 100 31.025 9.092 -2.334 775 HE1 HIS 100 HE1 HIS 100 30.337 4.980 -1.572 776 HE2 HIS 100 HE2 HIS 100 31.659 7.020 -0.928 777 H HIS 101 H HIS 101 28.684 7.554 -7.088 778 HA HIS 101 HA HIS 101 31.337 6.682 -8.070 779 HB2 HIS 101 2HB HIS 101 30.242 4.748 -7.014 780 HB3 HIS 101 1HB HIS 101 28.750 5.054 -7.896 781 HD1 HIS 101 HD1 HIS 101 32.397 4.362 -8.845 782 HD2 HIS 101 HD2 HIS 101 28.536 3.401 -10.032 783 HE1 HIS 101 HE1 HIS 101 32.658 2.798 -10.792 784 HE2 HIS 101 HE2 HIS 101 30.313 2.131 -11.404 Start of MODEL 7 1 H1 MET 1 1H MET 1 -0.868 20.254 3.555 2 H2 MET 1 2H MET 1 -2.478 20.569 3.944 3 H3 MET 1 3H MET 1 -1.832 21.146 2.489 4 HA MET 1 HA MET 1 -3.225 19.252 2.091 5 HB2 MET 1 2HB MET 1 -1.649 17.928 0.770 6 HB3 MET 1 1HB MET 1 -1.203 19.623 0.661 7 HG2 MET 1 2HG MET 1 0.598 19.244 2.307 8 HG3 MET 1 1HG MET 1 0.143 17.542 2.392 9 HE1 MET 1 3HE MET 1 0.443 20.019 -0.724 10 HE2 MET 1 1HE MET 1 2.065 19.590 -1.292 11 HE3 MET 1 2HE MET 1 1.863 20.363 0.273 12 H THR 2 H THR 2 -3.136 16.742 2.164 13 HA THR 2 HA THR 2 -2.999 15.967 5.000 14 HB THR 2 HB THR 2 -5.132 15.660 3.656 15 HG1 THR 2 HG1 THR 2 -5.590 13.794 4.718 16 HG21 THR 2 3HG2 THR 2 -3.606 13.372 2.353 17 HG22 THR 2 1HG2 THR 2 -4.178 14.828 1.531 18 HG23 THR 2 2HG2 THR 2 -5.337 13.684 2.209 19 H SER 3 H SER 3 -2.233 13.783 5.535 20 HA SER 3 HA SER 3 0.465 13.452 4.710 21 HB2 SER 3 2HB SER 3 -0.231 12.999 7.023 22 HB3 SER 3 1HB SER 3 -1.288 11.694 6.485 23 HG SER 3 HG SER 3 0.953 11.195 7.318 24 H THR 4 H THR 4 1.435 11.380 4.107 25 HA THR 4 HA THR 4 0.613 10.370 1.634 26 HB THR 4 HB THR 4 2.466 8.994 3.641 27 HG1 THR 4 HG1 THR 4 4.075 10.243 2.779 28 HG21 THR 4 3HG2 THR 4 2.378 8.771 0.601 29 HG22 THR 4 1HG2 THR 4 1.828 7.526 1.726 30 HG23 THR 4 2HG2 THR 4 3.534 7.968 1.665 31 H PHE 5 H PHE 5 0.025 9.196 4.929 32 HA PHE 5 HA PHE 5 -1.080 6.681 4.366 33 HB2 PHE 5 2HB PHE 5 -0.607 7.133 6.664 34 HB3 PHE 5 1HB PHE 5 -1.572 8.606 6.667 35 HD1 PHE 5 HD1 PHE 5 -1.983 4.895 6.114 36 HD2 PHE 5 HD2 PHE 5 -3.752 8.511 7.581 37 HE1 PHE 5 HE1 PHE 5 -3.991 3.658 6.792 38 HE2 PHE 5 HE2 PHE 5 -5.744 7.243 8.263 39 HZ PHE 5 HZ PHE 5 -5.870 4.824 7.859 40 H ASP 6 H ASP 6 -2.739 9.789 4.755 41 HA ASP 6 HA ASP 6 -5.384 8.793 4.401 42 HB2 ASP 6 2HB ASP 6 -4.646 10.914 5.605 43 HB3 ASP 6 1HB ASP 6 -4.377 11.645 4.028 44 H ARG 7 H ARG 7 -2.926 9.996 2.214 45 HA ARG 7 HA ARG 7 -4.484 10.163 -0.165 46 HB2 ARG 7 2HB ARG 7 -1.505 9.799 0.306 47 HB3 ARG 7 1HB ARG 7 -2.198 10.034 -1.294 48 HG2 ARG 7 2HG ARG 7 -2.621 12.061 0.926 49 HG3 ARG 7 1HG ARG 7 -1.174 12.081 -0.084 50 HD2 ARG 7 2HD ARG 7 -2.832 13.660 -0.938 51 HD3 ARG 7 1HD ARG 7 -2.579 12.359 -2.101 52 HE ARG 7 HE ARG 7 -4.891 12.340 -0.249 53 HH11 ARG 7 1HH1 ARG 7 -3.685 12.291 -3.553 54 HH12 ARG 7 2HH1 ARG 7 -5.240 11.945 -4.235 55 HH21 ARG 7 1HH2 ARG 7 -6.920 11.890 -1.185 56 HH22 ARG 7 2HH2 ARG 7 -7.066 11.772 -2.906 57 H VAL 8 H VAL 8 -2.394 7.557 1.137 58 HA VAL 8 HA VAL 8 -2.880 5.605 -0.870 59 HB VAL 8 HB VAL 8 -2.086 5.244 2.062 60 HG11 VAL 8 1HG1 VAL 8 -1.286 2.967 1.434 61 HG12 VAL 8 2HG1 VAL 8 -1.965 3.178 -0.180 62 HG13 VAL 8 3HG1 VAL 8 -3.033 3.121 1.222 63 HG21 VAL 8 3HG2 VAL 8 0.212 4.997 1.207 64 HG22 VAL 8 1HG2 VAL 8 -0.465 6.558 0.731 65 HG23 VAL 8 2HG2 VAL 8 -0.363 5.245 -0.443 66 H ALA 9 H ALA 9 -4.573 6.513 2.042 67 HA ALA 9 HA ALA 9 -6.358 4.346 2.358 68 HB1 ALA 9 3HB ALA 9 -5.905 5.953 4.165 69 HB2 ALA 9 1HB ALA 9 -7.637 5.898 3.812 70 HB3 ALA 9 2HB ALA 9 -6.656 7.245 3.225 71 H THR 10 H THR 10 -6.630 7.478 0.704 72 HA THR 10 HA THR 10 -9.153 7.320 -0.436 73 HB THR 10 HB THR 10 -6.606 8.548 -1.520 74 HG1 THR 10 HG1 THR 10 -7.175 9.645 0.266 75 HG21 THR 10 3HG2 THR 10 -9.437 8.970 -2.525 76 HG22 THR 10 1HG2 THR 10 -8.102 8.244 -3.431 77 HG23 THR 10 2HG2 THR 10 -8.048 9.954 -2.989 78 H ILE 11 H ILE 11 -6.036 6.114 -1.710 79 HA ILE 11 HA ILE 11 -6.949 5.233 -4.224 80 HB ILE 11 HB ILE 11 -4.584 4.262 -2.566 81 HG12 ILE 11 2HG1 ILE 11 -4.425 6.645 -3.189 82 HG13 ILE 11 1HG1 ILE 11 -3.216 5.709 -4.057 83 HG21 ILE 11 1HG2 ILE 11 -3.665 3.334 -4.718 84 HG22 ILE 11 2HG2 ILE 11 -5.225 3.634 -5.477 85 HG23 ILE 11 3HG2 ILE 11 -5.098 2.490 -4.141 86 HD11 ILE 11 3HD1 ILE 11 -4.237 7.394 -5.461 87 HD12 ILE 11 1HD1 ILE 11 -5.831 6.691 -5.196 88 HD13 ILE 11 2HD1 ILE 11 -4.592 5.777 -6.067 89 H ILE 12 H ILE 12 -6.480 3.421 -1.195 90 HA ILE 12 HA ILE 12 -7.316 0.898 -2.155 91 HB ILE 12 HB ILE 12 -7.233 2.016 0.676 92 HG12 ILE 12 2HG1 ILE 12 -5.231 0.315 -0.884 93 HG13 ILE 12 1HG1 ILE 12 -5.052 2.026 -0.516 94 HG21 ILE 12 1HG2 ILE 12 -7.477 -0.890 -0.177 95 HG22 ILE 12 2HG2 ILE 12 -8.722 0.061 0.638 96 HG23 ILE 12 3HG2 ILE 12 -7.218 -0.324 1.475 97 HD11 ILE 12 3HD1 ILE 12 -4.959 1.476 1.872 98 HD12 ILE 12 1HD1 ILE 12 -3.681 0.708 0.932 99 HD13 ILE 12 2HD1 ILE 12 -5.068 -0.241 1.465 100 H ALA 13 H ALA 13 -9.081 3.557 -0.638 101 HA ALA 13 HA ALA 13 -11.611 2.377 -0.330 102 HB1 ALA 13 3HB ALA 13 -11.000 4.532 0.699 103 HB2 ALA 13 1HB ALA 13 -12.482 4.676 -0.245 104 HB3 ALA 13 2HB ALA 13 -10.961 5.293 -0.893 105 H GLU 14 H GLU 14 -10.308 4.271 -3.092 106 HA GLU 14 HA GLU 14 -12.652 4.041 -4.697 107 HB2 GLU 14 2HB GLU 14 -9.820 4.784 -5.530 108 HB3 GLU 14 1HB GLU 14 -11.280 5.072 -6.476 109 HG2 GLU 14 2HG GLU 14 -10.521 6.353 -3.833 110 HG3 GLU 14 1HG GLU 14 -10.568 7.133 -5.409 111 H THR 15 H THR 15 -9.476 2.415 -4.882 112 HA THR 15 HA THR 15 -9.915 1.034 -7.303 113 HB THR 15 HB THR 15 -7.871 0.349 -5.139 114 HG1 THR 15 HG1 THR 15 -7.001 2.196 -5.650 115 HG21 THR 15 3HG2 THR 15 -8.071 -1.384 -6.915 116 HG22 THR 15 1HG2 THR 15 -6.517 -0.548 -6.994 117 HG23 THR 15 2HG2 THR 15 -7.794 -0.145 -8.142 118 H CYS 16 H CYS 16 -9.735 -0.185 -3.932 119 HA CYS 16 HA CYS 16 -10.665 -2.826 -4.669 120 HB2 CYS 16 2HB CYS 16 -8.874 -2.512 -2.995 121 HB3 CYS 16 1HB CYS 16 -9.979 -1.622 -1.952 122 HG CYS 16 HG CYS 16 -9.370 -4.806 -2.021 123 H ASP 17 H ASP 17 -12.227 0.068 -3.950 124 HA ASP 17 HA ASP 17 -14.226 0.772 -3.252 125 HB2 ASP 17 2HB ASP 17 -14.980 -0.700 -5.144 126 HB3 ASP 17 1HB ASP 17 -15.211 -2.020 -4.002 127 H ILE 18 H ILE 18 -13.375 0.937 -1.134 128 HA ILE 18 HA ILE 18 -14.580 -0.880 0.871 129 HB ILE 18 HB ILE 18 -11.810 0.412 1.034 130 HG12 ILE 18 2HG1 ILE 18 -12.630 -2.506 0.710 131 HG13 ILE 18 1HG1 ILE 18 -11.722 -1.528 -0.437 132 HG21 ILE 18 1HG2 ILE 18 -11.528 -0.727 3.210 133 HG22 ILE 18 2HG2 ILE 18 -13.181 -1.337 3.116 134 HG23 ILE 18 3HG2 ILE 18 -12.888 0.397 3.258 135 HD11 ILE 18 3HD1 ILE 18 -9.864 -1.427 1.189 136 HD12 ILE 18 1HD1 ILE 18 -10.256 -3.063 0.666 137 HD13 ILE 18 2HD1 ILE 18 -10.773 -2.501 2.254 138 HA PRO 19 HA PRO 19 -16.425 2.955 2.618 139 HB2 PRO 19 2HB PRO 19 -16.452 1.881 5.264 140 HB3 PRO 19 1HB PRO 19 -17.780 1.830 4.100 141 HG2 PRO 19 2HG PRO 19 -15.709 -0.249 4.723 142 HG3 PRO 19 1HG PRO 19 -17.433 -0.460 4.354 143 HD2 PRO 19 2HD PRO 19 -15.597 -1.013 2.505 144 HD3 PRO 19 1HD PRO 19 -17.097 -0.175 2.030 145 H ARG 20 H ARG 20 -15.183 4.663 2.935 146 HA ARG 20 HA ARG 20 -12.440 4.605 3.644 147 HB2 ARG 20 2HB ARG 20 -13.513 6.298 2.144 148 HB3 ARG 20 1HB ARG 20 -14.360 6.968 3.528 149 HG2 ARG 20 2HG ARG 20 -12.525 8.405 3.056 150 HG3 ARG 20 1HG ARG 20 -12.128 7.540 4.540 151 HD2 ARG 20 2HD ARG 20 -10.679 6.004 3.220 152 HD3 ARG 20 1HD ARG 20 -11.052 6.919 1.750 153 HE ARG 20 HE ARG 20 -9.400 7.783 4.011 154 HH11 ARG 20 1HH1 ARG 20 -10.774 8.568 0.878 155 HH12 ARG 20 2HH1 ARG 20 -9.742 9.941 0.652 156 HH21 ARG 20 1HH2 ARG 20 -8.112 9.630 3.717 157 HH22 ARG 20 2HH2 ARG 20 -8.261 10.547 2.254 158 H GLU 21 H GLU 21 -15.349 4.957 5.489 159 HA GLU 21 HA GLU 21 -14.428 6.159 7.872 160 HB2 GLU 21 2HB GLU 21 -16.532 5.331 8.864 161 HB3 GLU 21 1HB GLU 21 -16.829 6.004 7.266 162 HG2 GLU 21 2HG GLU 21 -16.927 3.737 6.311 163 HG3 GLU 21 1HG GLU 21 -16.590 3.043 7.896 164 H THR 22 H THR 22 -14.406 2.807 6.748 165 HA THR 22 HA THR 22 -13.688 1.705 9.355 166 HB THR 22 HB THR 22 -13.670 -0.496 8.165 167 HG1 THR 22 HG1 THR 22 -13.399 0.968 5.992 168 HG21 THR 22 3HG2 THR 22 -15.790 0.334 9.139 169 HG22 THR 22 1HG2 THR 22 -16.073 -0.630 7.688 170 HG23 THR 22 2HG2 THR 22 -16.174 1.129 7.610 171 H ILE 23 H ILE 23 -12.032 3.018 6.636 172 HA ILE 23 HA ILE 23 -9.698 1.367 6.655 173 HB ILE 23 HB ILE 23 -10.386 4.075 5.421 174 HG12 ILE 23 2HG1 ILE 23 -9.841 1.333 4.192 175 HG13 ILE 23 1HG1 ILE 23 -11.425 2.081 4.384 176 HG21 ILE 23 1HG2 ILE 23 -7.730 2.655 5.112 177 HG22 ILE 23 2HG2 ILE 23 -7.993 4.168 5.976 178 HG23 ILE 23 3HG2 ILE 23 -8.248 4.089 4.232 179 HD11 ILE 23 3HD1 ILE 23 -10.659 2.222 2.101 180 HD12 ILE 23 1HD1 ILE 23 -9.191 3.059 2.604 181 HD13 ILE 23 2HD1 ILE 23 -10.764 3.838 2.798 182 H THR 24 H THR 24 -8.426 1.314 8.392 183 HA THR 24 HA THR 24 -7.757 3.802 9.869 184 HB THR 24 HB THR 24 -7.394 2.340 11.878 185 HG1 THR 24 HG1 THR 24 -8.795 0.245 10.630 186 HG21 THR 24 3HG2 THR 24 -10.191 2.083 10.714 187 HG22 THR 24 1HG2 THR 24 -9.577 3.466 11.623 188 HG23 THR 24 2HG2 THR 24 -9.763 1.902 12.420 189 HA PRO 25 HA PRO 25 -3.414 3.011 8.923 190 HB2 PRO 25 2HB PRO 25 -2.217 3.426 11.435 191 HB3 PRO 25 1HB PRO 25 -2.626 4.702 10.281 192 HG2 PRO 25 2HG PRO 25 -4.175 3.728 12.669 193 HG3 PRO 25 1HG PRO 25 -3.905 5.394 12.112 194 HD2 PRO 25 2HD PRO 25 -6.237 4.164 11.645 195 HD3 PRO 25 1HD PRO 25 -5.522 5.215 10.402 196 H GLU 26 H GLU 26 -4.880 1.337 11.673 197 HA GLU 26 HA GLU 26 -2.734 -0.656 11.792 198 HB2 GLU 26 2HB GLU 26 -5.190 -0.263 13.536 199 HB3 GLU 26 1HB GLU 26 -3.958 -1.497 13.799 200 HG2 GLU 26 2HG GLU 26 -2.256 0.248 14.133 201 HG3 GLU 26 1HG GLU 26 -3.464 1.500 13.839 202 H SER 27 H SER 27 -5.733 -0.342 10.143 203 HA SER 27 HA SER 27 -6.494 -3.112 10.124 204 HB2 SER 27 2HB SER 27 -7.969 -2.494 8.190 205 HB3 SER 27 1HB SER 27 -8.177 -1.422 9.571 206 HG SER 27 HG SER 27 -6.276 -0.503 7.872 207 H HIS 28 H HIS 28 -5.693 -4.733 8.980 208 HA HIS 28 HA HIS 28 -3.423 -4.331 7.154 209 HB2 HIS 28 2HB HIS 28 -3.252 -5.968 9.044 210 HB3 HIS 28 1HB HIS 28 -4.581 -6.891 8.354 211 HD2 HIS 28 HD2 HIS 28 -0.818 -6.750 8.229 212 HE1 HIS 28 HE1 HIS 28 -2.059 -9.123 4.984 213 HE2 HIS 28 HE2 HIS 28 -0.198 -8.638 6.616 214 H ALA 29 H ALA 29 -3.617 -4.652 4.968 215 HA ALA 29 HA ALA 29 -5.975 -4.621 3.592 216 HB1 ALA 29 3HB ALA 29 -3.788 -4.060 2.605 217 HB2 ALA 29 1HB ALA 29 -4.699 -5.170 1.579 218 HB3 ALA 29 2HB ALA 29 -3.364 -5.773 2.566 219 H ILE 30 H ILE 30 -3.967 -7.621 3.977 220 HA ILE 30 HA ILE 30 -5.953 -9.265 2.692 221 HB ILE 30 HB ILE 30 -3.604 -10.253 4.377 222 HG12 ILE 30 2HG1 ILE 30 -3.630 -9.671 1.373 223 HG13 ILE 30 1HG1 ILE 30 -2.813 -8.687 2.581 224 HG21 ILE 30 1HG2 ILE 30 -5.159 -11.622 2.145 225 HG22 ILE 30 2HG2 ILE 30 -5.300 -11.978 3.868 226 HG23 ILE 30 3HG2 ILE 30 -3.789 -12.310 3.023 227 HD11 ILE 30 3HD1 ILE 30 -2.139 -11.534 1.840 228 HD12 ILE 30 1HD1 ILE 30 -1.347 -10.598 3.112 229 HD13 ILE 30 2HD1 ILE 30 -1.231 -10.079 1.431 230 H ASP 31 H ASP 31 -4.720 -9.084 6.012 231 HA ASP 31 HA ASP 31 -6.290 -11.073 7.176 232 HB2 ASP 31 2HB ASP 31 -4.242 -10.372 8.218 233 HB3 ASP 31 1HB ASP 31 -4.783 -8.705 8.333 234 H ASP 32 H ASP 32 -6.819 -7.541 7.164 235 HA ASP 32 HA ASP 32 -9.360 -7.908 8.612 236 HB2 ASP 32 2HB ASP 32 -7.748 -6.341 9.604 237 HB3 ASP 32 1HB ASP 32 -7.713 -5.390 8.121 238 H LEU 33 H LEU 33 -8.123 -6.003 5.828 239 HA LEU 33 HA LEU 33 -10.742 -5.074 5.088 240 HB2 LEU 33 2HB LEU 33 -8.091 -4.874 3.618 241 HB3 LEU 33 1HB LEU 33 -9.553 -4.015 3.162 242 HG LEU 33 HG LEU 33 -7.975 -3.584 5.739 243 HD11 LEU 33 1HD1 LEU 33 -6.788 -2.755 3.763 244 HD12 LEU 33 2HD1 LEU 33 -7.344 -1.427 4.773 245 HD13 LEU 33 3HD1 LEU 33 -8.203 -1.814 3.279 246 HD21 LEU 33 3HD2 LEU 33 -9.470 -1.661 6.128 247 HD22 LEU 33 1HD2 LEU 33 -10.361 -3.182 6.107 248 HD23 LEU 33 2HD2 LEU 33 -10.425 -2.106 4.709 249 H GLY 34 H GLY 34 -9.036 -7.964 4.399 250 HA2 GLY 34 2HA GLY 34 -9.773 -9.833 3.239 251 HA3 GLY 34 1HA GLY 34 -11.139 -8.908 2.642 252 H ILE 35 H ILE 35 -8.323 -7.229 2.017 253 HA ILE 35 HA ILE 35 -8.365 -7.638 -0.829 254 HB ILE 35 HB ILE 35 -6.257 -6.229 0.881 255 HG12 ILE 35 2HG1 ILE 35 -8.620 -4.925 -0.523 256 HG13 ILE 35 1HG1 ILE 35 -8.587 -5.302 1.199 257 HG21 ILE 35 1HG2 ILE 35 -5.667 -4.990 -1.179 258 HG22 ILE 35 2HG2 ILE 35 -6.843 -5.939 -2.088 259 HG23 ILE 35 3HG2 ILE 35 -5.433 -6.729 -1.381 260 HD11 ILE 35 3HD1 ILE 35 -8.076 -2.960 0.750 261 HD12 ILE 35 1HD1 ILE 35 -6.680 -3.429 -0.213 262 HD13 ILE 35 2HD1 ILE 35 -6.717 -3.774 1.517 263 H ASP 36 H ASP 36 -7.680 -9.699 -1.462 264 HA ASP 36 HA ASP 36 -5.470 -11.106 -0.321 265 HB2 ASP 36 2HB ASP 36 -7.361 -12.210 -1.577 266 HB3 ASP 36 1HB ASP 36 -6.800 -11.455 -3.062 267 H SER 37 H SER 37 -3.374 -11.501 -1.416 268 HA SER 37 HA SER 37 -2.008 -9.227 -2.219 269 HB2 SER 37 2HB SER 37 -0.952 -11.241 -1.210 270 HB3 SER 37 1HB SER 37 -1.218 -12.132 -2.706 271 HG SER 37 HG SER 37 0.828 -10.568 -2.061 272 H LEU 38 H LEU 38 -4.029 -11.224 -4.197 273 HA LEU 38 HA LEU 38 -2.813 -10.427 -6.725 274 HB2 LEU 38 2HB LEU 38 -5.419 -11.925 -6.234 275 HB3 LEU 38 1HB LEU 38 -4.595 -11.747 -7.777 276 HG LEU 38 HG LEU 38 -3.661 -13.370 -5.379 277 HD11 LEU 38 1HD1 LEU 38 -3.854 -15.311 -6.874 278 HD12 LEU 38 2HD1 LEU 38 -4.472 -14.269 -8.160 279 HD13 LEU 38 3HD1 LEU 38 -5.395 -14.478 -6.671 280 HD21 LEU 38 3HD2 LEU 38 -2.162 -12.843 -7.958 281 HD22 LEU 38 1HD2 LEU 38 -1.701 -14.024 -6.726 282 HD23 LEU 38 2HD2 LEU 38 -1.714 -12.309 -6.335 283 H ASP 39 H ASP 39 -5.674 -9.644 -4.786 284 HA ASP 39 HA ASP 39 -6.841 -7.760 -6.599 285 HB2 ASP 39 2HB ASP 39 -8.145 -8.816 -4.763 286 HB3 ASP 39 1HB ASP 39 -7.125 -8.020 -3.566 287 H PHE 40 H PHE 40 -4.347 -7.654 -4.187 288 HA PHE 40 HA PHE 40 -4.152 -4.852 -3.783 289 HB2 PHE 40 2HB PHE 40 -3.303 -6.781 -2.278 290 HB3 PHE 40 1HB PHE 40 -1.904 -6.854 -3.345 291 HD1 PHE 40 HD2 PHE 40 -3.753 -4.715 -0.936 292 HD2 PHE 40 HD1 PHE 40 -0.147 -5.193 -3.167 293 HE1 PHE 40 HE2 PHE 40 -2.708 -2.910 0.355 294 HE2 PHE 40 HE1 PHE 40 0.896 -3.384 -1.870 295 HZ PHE 40 HZ PHE 40 -0.392 -2.248 -0.113 296 H LEU 41 H LEU 41 -3.049 -6.904 -6.357 297 HA LEU 41 HA LEU 41 -0.754 -5.597 -7.355 298 HB2 LEU 41 2HB LEU 41 -3.017 -6.984 -8.850 299 HB3 LEU 41 1HB LEU 41 -1.513 -6.492 -9.613 300 HG LEU 41 HG LEU 41 -1.710 -8.542 -7.363 301 HD11 LEU 41 1HD1 LEU 41 -1.308 -10.251 -9.066 302 HD12 LEU 41 2HD1 LEU 41 -1.360 -9.032 -10.343 303 HD13 LEU 41 3HD1 LEU 41 -2.806 -9.382 -9.389 304 HD21 LEU 41 3HD2 LEU 41 0.463 -7.413 -7.424 305 HD22 LEU 41 1HD2 LEU 41 0.643 -7.799 -9.137 306 HD23 LEU 41 2HD2 LEU 41 0.616 -9.090 -7.932 307 H ASP 42 H ASP 42 -4.191 -4.973 -7.835 308 HA ASP 42 HA ASP 42 -4.042 -2.850 -9.725 309 HB2 ASP 42 2HB ASP 42 -6.263 -3.646 -7.792 310 HB3 ASP 42 1HB ASP 42 -6.450 -2.452 -9.079 311 H ILE 43 H ILE 43 -4.203 -2.958 -6.196 312 HA ILE 43 HA ILE 43 -4.513 -0.163 -5.730 313 HB ILE 43 HB ILE 43 -3.391 -2.354 -3.916 314 HG12 ILE 43 2HG1 ILE 43 -6.163 -1.087 -4.050 315 HG13 ILE 43 1HG1 ILE 43 -5.744 -2.708 -4.597 316 HG21 ILE 43 1HG2 ILE 43 -3.786 -0.826 -2.008 317 HG22 ILE 43 2HG2 ILE 43 -4.217 0.471 -3.124 318 HG23 ILE 43 3HG2 ILE 43 -2.577 -0.180 -3.117 319 HD11 ILE 43 3HD1 ILE 43 -5.222 -3.330 -2.275 320 HD12 ILE 43 1HD1 ILE 43 -6.885 -2.777 -2.481 321 HD13 ILE 43 2HD1 ILE 43 -5.689 -1.706 -1.755 322 H ALA 44 H ALA 44 -1.725 -2.313 -5.943 323 HA ALA 44 HA ALA 44 0.347 -0.535 -5.232 324 HB1 ALA 44 3HB ALA 44 0.616 -2.988 -5.279 325 HB2 ALA 44 1HB ALA 44 1.845 -2.197 -6.272 326 HB3 ALA 44 2HB ALA 44 0.454 -2.976 -7.036 327 H PHE 45 H PHE 45 -1.172 -1.333 -8.305 328 HA PHE 45 HA PHE 45 0.522 0.271 -9.958 329 HB2 PHE 45 2HB PHE 45 -0.742 -1.694 -10.823 330 HB3 PHE 45 1HB PHE 45 -2.254 -0.830 -10.572 331 HD1 PHE 45 HD2 PHE 45 1.039 0.165 -12.118 332 HD2 PHE 45 HD1 PHE 45 -3.176 -0.293 -12.665 333 HE1 PHE 45 HE2 PHE 45 1.233 1.071 -14.391 334 HE2 PHE 45 HE1 PHE 45 -2.974 0.613 -14.946 335 HZ PHE 45 HZ PHE 45 -0.768 1.289 -15.813 336 H ALA 46 H ALA 46 -2.595 0.826 -8.367 337 HA ALA 46 HA ALA 46 -3.183 3.331 -9.643 338 HB1 ALA 46 3HB ALA 46 -4.944 1.940 -8.638 339 HB2 ALA 46 1HB ALA 46 -4.933 3.551 -7.912 340 HB3 ALA 46 2HB ALA 46 -4.245 2.180 -7.036 341 H ILE 47 H ILE 47 -1.474 2.415 -6.678 342 HA ILE 47 HA ILE 47 -1.000 5.063 -5.660 343 HB ILE 47 HB ILE 47 0.370 2.390 -5.109 344 HG12 ILE 47 2HG1 ILE 47 -1.532 3.983 -3.336 345 HG13 ILE 47 1HG1 ILE 47 -2.045 2.674 -4.391 346 HG21 ILE 47 1HG2 ILE 47 1.988 4.184 -4.634 347 HG22 ILE 47 2HG2 ILE 47 1.449 3.410 -3.150 348 HG23 ILE 47 3HG2 ILE 47 0.809 4.990 -3.592 349 HD11 ILE 47 3HD1 ILE 47 -0.731 1.086 -3.115 350 HD12 ILE 47 1HD1 ILE 47 -1.837 1.976 -2.071 351 HD13 ILE 47 2HD1 ILE 47 -0.128 2.388 -2.092 352 H ASP 48 H ASP 48 0.774 2.791 -7.683 353 HA ASP 48 HA ASP 48 3.228 4.042 -8.074 354 HB2 ASP 48 2HB ASP 48 2.622 1.747 -8.826 355 HB3 ASP 48 1HB ASP 48 1.550 2.416 -10.046 356 H LYS 49 H LYS 49 0.165 4.513 -9.775 357 HA LYS 49 HA LYS 49 1.107 6.498 -11.644 358 HB2 LYS 49 2HB LYS 49 -1.700 5.600 -10.877 359 HB3 LYS 49 1HB LYS 49 -1.328 6.653 -12.240 360 HG2 LYS 49 2HG LYS 49 -0.219 4.889 -13.418 361 HG3 LYS 49 1HG LYS 49 -0.200 3.853 -11.991 362 HD2 LYS 49 2HD LYS 49 -1.909 3.106 -13.580 363 HD3 LYS 49 1HD LYS 49 -2.651 3.647 -12.074 364 HE2 LYS 49 2HE LYS 49 -3.263 5.789 -13.151 365 HE3 LYS 49 1HE LYS 49 -2.495 5.262 -14.653 366 HZ1 LYS 49 3HZ LYS 49 -4.867 4.922 -14.738 367 HZ2 LYS 49 1HZ LYS 49 -4.830 3.979 -13.335 368 HZ3 LYS 49 2HZ LYS 49 -4.081 3.426 -14.749 369 H ALA 50 H ALA 50 -0.805 6.527 -8.632 370 HA ALA 50 HA ALA 50 -1.775 9.183 -8.786 371 HB1 ALA 50 3HB ALA 50 -2.414 8.920 -6.421 372 HB2 ALA 50 1HB ALA 50 -1.410 7.470 -6.302 373 HB3 ALA 50 2HB ALA 50 -2.827 7.479 -7.354 374 H PHE 51 H PHE 51 0.862 7.823 -6.838 375 HA PHE 51 HA PHE 51 1.737 10.411 -5.867 376 HB2 PHE 51 2HB PHE 51 2.874 7.606 -5.480 377 HB3 PHE 51 1HB PHE 51 3.501 9.048 -4.687 378 HD1 PHE 51 HD1 PHE 51 0.397 6.967 -5.003 379 HD2 PHE 51 HD2 PHE 51 2.569 9.775 -2.622 380 HE1 PHE 51 HE1 PHE 51 -1.202 6.652 -3.167 381 HE2 PHE 51 HE2 PHE 51 0.963 9.451 -0.792 382 HZ PHE 51 HZ PHE 51 -0.918 7.892 -1.065 383 H GLY 52 H GLY 52 2.342 8.544 -8.647 384 HA2 GLY 52 2HA GLY 52 3.720 8.846 -10.450 385 HA3 GLY 52 1HA GLY 52 4.254 10.360 -9.727 386 H ILE 53 H ILE 53 4.437 7.085 -8.452 387 HA ILE 53 HA ILE 53 7.397 7.220 -8.316 388 HB ILE 53 HB ILE 53 7.247 5.851 -6.216 389 HG12 ILE 53 2HG1 ILE 53 4.239 6.391 -6.422 390 HG13 ILE 53 1HG1 ILE 53 5.018 4.825 -6.609 391 HG21 ILE 53 1HG2 ILE 53 5.784 8.515 -6.042 392 HG22 ILE 53 2HG2 ILE 53 7.537 8.289 -6.073 393 HG23 ILE 53 3HG2 ILE 53 6.597 7.677 -4.715 394 HD11 ILE 53 3HD1 ILE 53 5.694 4.883 -4.261 395 HD12 ILE 53 1HD1 ILE 53 3.949 5.050 -4.447 396 HD13 ILE 53 2HD1 ILE 53 4.933 6.466 -4.082 397 H LYS 54 H LYS 54 8.357 4.936 -8.037 398 HA LYS 54 HA LYS 54 6.813 2.912 -9.537 399 HB2 LYS 54 2HB LYS 54 9.062 3.480 -10.472 400 HB3 LYS 54 1HB LYS 54 9.809 2.947 -8.974 401 HG2 LYS 54 2HG LYS 54 8.999 0.668 -9.337 402 HG3 LYS 54 1HG LYS 54 8.141 1.173 -10.790 403 HD2 LYS 54 2HD LYS 54 11.166 1.304 -10.468 404 HD3 LYS 54 1HD LYS 54 10.311 -0.054 -11.191 405 HE2 LYS 54 2HE LYS 54 11.076 1.237 -13.018 406 HE3 LYS 54 1HE LYS 54 9.366 1.630 -12.886 407 HZ1 LYS 54 3HZ LYS 54 10.699 3.580 -13.278 408 HZ2 LYS 54 1HZ LYS 54 11.620 3.286 -11.894 409 HZ3 LYS 54 2HZ LYS 54 9.980 3.676 -11.756 410 H LEU 55 H LEU 55 5.587 1.914 -8.064 411 HA LEU 55 HA LEU 55 6.660 1.062 -5.480 412 HB2 LEU 55 2HB LEU 55 4.325 2.021 -5.752 413 HB3 LEU 55 1HB LEU 55 3.877 0.578 -6.644 414 HG LEU 55 HG LEU 55 4.881 0.461 -3.769 415 HD11 LEU 55 1HD1 LEU 55 2.939 1.906 -3.759 416 HD12 LEU 55 2HD1 LEU 55 2.552 0.361 -3.009 417 HD13 LEU 55 3HD1 LEU 55 1.994 0.708 -4.649 418 HD21 LEU 55 3HD2 LEU 55 3.675 -1.701 -3.662 419 HD22 LEU 55 1HD2 LEU 55 4.945 -1.709 -4.884 420 HD23 LEU 55 2HD2 LEU 55 3.257 -1.549 -5.370 421 HA PRO 56 HA PRO 56 7.547 -2.858 -7.670 422 HB2 PRO 56 2HB PRO 56 9.705 -3.645 -6.277 423 HB3 PRO 56 1HB PRO 56 9.800 -2.268 -7.385 424 HG2 PRO 56 2HG PRO 56 9.628 -2.285 -4.388 425 HG3 PRO 56 1HG PRO 56 10.537 -1.189 -5.450 426 HD2 PRO 56 2HD PRO 56 7.996 -0.674 -4.278 427 HD3 PRO 56 1HD PRO 56 8.758 0.265 -5.584 428 H LEU 57 H LEU 57 5.432 -3.534 -6.831 429 HA LEU 57 HA LEU 57 5.210 -4.856 -4.282 430 HB2 LEU 57 2HB LEU 57 3.203 -3.926 -5.472 431 HB3 LEU 57 1HB LEU 57 3.395 -5.157 -6.711 432 HG LEU 57 HG LEU 57 3.019 -6.937 -4.977 433 HD11 LEU 57 1HD1 LEU 57 2.410 -4.644 -3.085 434 HD12 LEU 57 2HD1 LEU 57 3.776 -5.761 -2.978 435 HD13 LEU 57 3HD1 LEU 57 2.133 -6.359 -2.767 436 HD21 LEU 57 3HD2 LEU 57 0.745 -4.943 -5.110 437 HD22 LEU 57 1HD2 LEU 57 0.627 -6.670 -4.768 438 HD23 LEU 57 2HD2 LEU 57 1.147 -6.124 -6.359 439 H GLU 58 H GLU 58 6.212 -5.755 -7.498 440 HA GLU 58 HA GLU 58 6.212 -8.536 -7.413 441 HB2 GLU 58 2HB GLU 58 8.126 -8.406 -9.006 442 HB3 GLU 58 1HB GLU 58 6.795 -7.343 -9.443 443 HG2 GLU 58 2HG GLU 58 7.996 -5.397 -8.596 444 HG3 GLU 58 1HG GLU 58 9.304 -6.422 -8.010 445 H LYS 59 H LYS 59 8.423 -6.234 -5.954 446 HA LYS 59 HA LYS 59 10.305 -8.198 -4.987 447 HB2 LYS 59 2HB LYS 59 10.934 -5.834 -5.567 448 HB3 LYS 59 1HB LYS 59 9.959 -5.263 -4.218 449 HG2 LYS 59 2HG LYS 59 11.446 -6.475 -2.639 450 HG3 LYS 59 1HG LYS 59 12.414 -7.043 -4.005 451 HD2 LYS 59 2HD LYS 59 13.536 -5.134 -3.006 452 HD3 LYS 59 1HD LYS 59 12.925 -4.663 -4.595 453 HE2 LYS 59 2HE LYS 59 12.519 -2.884 -2.974 454 HE3 LYS 59 1HE LYS 59 10.977 -3.571 -3.487 455 HZ1 LYS 59 3HZ LYS 59 12.414 -4.269 -0.990 456 HZ2 LYS 59 1HZ LYS 59 10.898 -4.853 -1.463 457 HZ3 LYS 59 2HZ LYS 59 11.102 -3.214 -1.099 458 H TRP 60 H TRP 60 7.707 -6.189 -3.613 459 HA TRP 60 HA TRP 60 8.112 -6.757 -0.883 460 HB2 TRP 60 2HB TRP 60 5.604 -5.846 -2.351 461 HB3 TRP 60 1HB TRP 60 5.753 -5.887 -0.597 462 HD1 TRP 60 HD1 TRP 60 8.992 -4.676 -1.870 463 HE1 TRP 60 HE1 TRP 60 9.111 -2.114 -1.792 464 HE3 TRP 60 HE3 TRP 60 4.053 -3.651 -1.076 465 HZ2 TRP 60 HZ2 TRP 60 7.385 0.052 -1.414 466 HZ3 TRP 60 HZ3 TRP 60 3.374 -1.299 -0.849 467 HH2 TRP 60 HH2 TRP 60 5.002 0.522 -1.012 468 H THR 61 H THR 61 5.633 -8.063 -3.093 469 HA THR 61 HA THR 61 4.548 -10.103 -1.626 470 HB THR 61 HB THR 61 5.102 -10.022 -4.636 471 HG1 THR 61 HG1 THR 61 3.202 -8.938 -4.750 472 HG21 THR 61 3HG2 THR 61 3.052 -11.704 -3.113 473 HG22 THR 61 1HG2 THR 61 4.476 -12.327 -3.953 474 HG23 THR 61 2HG2 THR 61 3.173 -11.570 -4.869 475 H GLN 62 H GLN 62 7.484 -10.211 -3.648 476 HA GLN 62 HA GLN 62 8.047 -12.973 -3.411 477 HB2 GLN 62 2HB GLN 62 9.073 -11.524 -5.171 478 HB3 GLN 62 1HB GLN 62 10.000 -10.680 -3.937 479 HG2 GLN 62 2HG GLN 62 11.410 -12.293 -5.088 480 HG3 GLN 62 1HG GLN 62 11.209 -12.756 -3.398 481 HE21 GLN 62 1HE2 GLN 62 8.807 -13.291 -5.961 482 HE22 GLN 62 2HE2 GLN 62 8.932 -15.011 -5.966 483 H GLU 63 H GLU 63 9.023 -10.174 -1.459 484 HA GLU 63 HA GLU 63 10.930 -11.438 0.215 485 HB2 GLU 63 2HB GLU 63 9.215 -8.956 0.650 486 HB3 GLU 63 1HB GLU 63 10.488 -9.456 1.764 487 HG2 GLU 63 2HG GLU 63 12.171 -9.169 0.054 488 HG3 GLU 63 1HG GLU 63 10.945 -8.818 -1.159 489 H VAL 64 H VAL 64 7.412 -11.063 0.464 490 HA VAL 64 HA VAL 64 7.163 -12.134 3.109 491 HB VAL 64 HB VAL 64 5.123 -11.725 0.879 492 HG11 VAL 64 1HG1 VAL 64 4.596 -12.427 3.800 493 HG12 VAL 64 2HG1 VAL 64 4.298 -13.469 2.405 494 HG13 VAL 64 3HG1 VAL 64 3.367 -11.988 2.612 495 HG21 VAL 64 3HG2 VAL 64 4.440 -9.716 2.180 496 HG22 VAL 64 1HG2 VAL 64 6.133 -9.621 1.683 497 HG23 VAL 64 2HG2 VAL 64 5.724 -10.041 3.348 498 H ASN 65 H ASN 65 6.599 -13.424 -0.166 499 HA ASN 65 HA ASN 65 5.895 -16.061 0.619 500 HB2 ASN 65 2HB ASN 65 6.825 -15.031 -2.098 501 HB3 ASN 65 1HB ASN 65 6.106 -16.616 -1.821 502 HD21 ASN 65 1HD2 ASN 65 5.085 -14.716 -3.618 503 HD22 ASN 65 2HD2 ASN 65 3.532 -14.210 -3.065 504 H ASP 66 H ASP 66 8.986 -14.561 0.286 505 HA ASP 66 HA ASP 66 10.431 -17.118 0.186 506 HB2 ASP 66 2HB ASP 66 11.175 -15.027 -1.104 507 HB3 ASP 66 1HB ASP 66 11.609 -14.316 0.444 508 H GLY 67 H GLY 67 8.956 -15.207 2.518 509 HA2 GLY 67 2HA GLY 67 8.830 -15.457 4.788 510 HA3 GLY 67 1HA GLY 67 10.088 -16.674 4.720 511 H LYS 68 H LYS 68 10.865 -13.656 3.284 512 HA LYS 68 HA LYS 68 12.880 -13.059 5.298 513 HB2 LYS 68 2HB LYS 68 12.098 -11.648 2.707 514 HB3 LYS 68 1HB LYS 68 13.416 -11.117 3.754 515 HG2 LYS 68 2HG LYS 68 13.245 -13.781 2.306 516 HG3 LYS 68 1HG LYS 68 14.249 -12.401 1.840 517 HD2 LYS 68 2HD LYS 68 15.440 -12.608 4.057 518 HD3 LYS 68 1HD LYS 68 14.504 -14.073 4.377 519 HE2 LYS 68 2HE LYS 68 15.503 -15.101 2.332 520 HE3 LYS 68 1HE LYS 68 16.487 -13.651 2.113 521 HZ1 LYS 68 3HZ LYS 68 17.480 -14.072 4.289 522 HZ2 LYS 68 1HZ LYS 68 17.732 -15.357 3.224 523 HZ3 LYS 68 2HZ LYS 68 16.569 -15.488 4.442 524 H ALA 69 H ALA 69 10.159 -11.331 3.842 525 HA ALA 69 HA ALA 69 9.893 -9.553 6.192 526 HB1 ALA 69 3HB ALA 69 10.216 -8.429 4.012 527 HB2 ALA 69 1HB ALA 69 8.626 -8.072 4.691 528 HB3 ALA 69 2HB ALA 69 8.781 -9.238 3.372 529 H THR 70 H THR 70 7.711 -8.963 6.819 530 HA THR 70 HA THR 70 5.788 -11.198 6.710 531 HB THR 70 HB THR 70 6.329 -10.508 8.993 532 HG1 THR 70 HG1 THR 70 4.178 -11.092 8.719 533 HG21 THR 70 3HG2 THR 70 5.410 -7.709 8.231 534 HG22 THR 70 1HG2 THR 70 7.072 -8.188 8.591 535 HG23 THR 70 2HG2 THR 70 5.843 -8.241 9.858 536 H THR 71 H THR 71 3.554 -10.721 6.333 537 HA THR 71 HA THR 71 2.897 -8.993 4.196 538 HB THR 71 HB THR 71 0.486 -9.482 4.834 539 HG1 THR 71 HG1 THR 71 0.313 -11.127 6.580 540 HG21 THR 71 3HG2 THR 71 2.274 -11.935 4.731 541 HG22 THR 71 1HG2 THR 71 1.646 -11.055 3.337 542 HG23 THR 71 2HG2 THR 71 0.539 -11.915 4.410 543 H GLU 72 H GLU 72 2.757 -8.628 7.693 544 HA GLU 72 HA GLU 72 1.153 -6.417 8.096 545 HB2 GLU 72 2HB GLU 72 2.145 -7.745 9.923 546 HB3 GLU 72 1HB GLU 72 3.754 -7.182 9.500 547 HG2 GLU 72 2HG GLU 72 3.081 -4.872 10.140 548 HG3 GLU 72 1HG GLU 72 1.503 -5.494 10.618 549 H GLN 73 H GLN 73 4.587 -6.471 7.190 550 HA GLN 73 HA GLN 73 5.158 -3.726 7.432 551 HB2 GLN 73 2HB GLN 73 6.844 -5.561 7.353 552 HB3 GLN 73 1HB GLN 73 6.515 -5.784 5.636 553 HG2 GLN 73 2HG GLN 73 7.353 -3.496 5.188 554 HG3 GLN 73 1HG GLN 73 7.661 -3.266 6.906 555 HE21 GLN 73 1HE2 GLN 73 8.330 -6.213 5.054 556 HE22 GLN 73 2HE2 GLN 73 10.046 -6.117 5.190 557 H TYR 74 H TYR 74 3.559 -5.442 4.814 558 HA TYR 74 HA TYR 74 3.888 -3.121 2.980 559 HB2 TYR 74 2HB TYR 74 3.772 -6.080 2.252 560 HB3 TYR 74 1HB TYR 74 3.865 -4.754 1.094 561 HD1 TYR 74 HD1 TYR 74 5.871 -2.969 2.106 562 HD2 TYR 74 HD2 TYR 74 5.844 -7.241 2.211 563 HE1 TYR 74 HE1 TYR 74 8.307 -2.978 2.212 564 HE2 TYR 74 HE2 TYR 74 8.299 -7.242 2.307 565 HH TYR 74 HH TYR 74 10.177 -5.744 1.725 566 H PHE 75 H PHE 75 1.530 -4.589 4.800 567 HA PHE 75 HA PHE 75 -0.582 -4.021 2.811 568 HB2 PHE 75 2HB PHE 75 -0.348 -6.521 4.540 569 HB3 PHE 75 1HB PHE 75 -1.836 -6.049 3.734 570 HD1 PHE 75 HD1 PHE 75 1.571 -7.409 3.210 571 HD2 PHE 75 HD2 PHE 75 -2.075 -6.283 1.293 572 HE1 PHE 75 HE1 PHE 75 2.270 -8.604 1.181 573 HE2 PHE 75 HE2 PHE 75 -1.367 -7.483 -0.732 574 HZ PHE 75 HZ PHE 75 0.801 -8.639 -0.795 575 H VAL 76 H VAL 76 0.290 -4.216 6.310 576 HA VAL 76 HA VAL 76 -2.115 -2.985 7.260 577 HB VAL 76 HB VAL 76 0.697 -2.730 8.450 578 HG11 VAL 76 1HG1 VAL 76 -0.412 -2.064 10.554 579 HG12 VAL 76 2HG1 VAL 76 -1.982 -2.099 9.747 580 HG13 VAL 76 3HG1 VAL 76 -0.763 -0.925 9.253 581 HG21 VAL 76 3HG2 VAL 76 -1.549 -4.622 9.215 582 HG22 VAL 76 1HG2 VAL 76 0.004 -4.475 10.038 583 HG23 VAL 76 2HG2 VAL 76 -0.061 -5.067 8.378 584 H LEU 77 H LEU 77 -2.751 -0.879 7.169 585 HA LEU 77 HA LEU 77 -1.821 0.417 4.845 586 HB2 LEU 77 2HB LEU 77 -3.719 1.590 6.898 587 HB3 LEU 77 1HB LEU 77 -3.557 2.068 5.214 588 HG LEU 77 HG LEU 77 -4.784 -0.463 6.333 589 HD11 LEU 77 1HD1 LEU 77 -6.732 0.178 5.030 590 HD12 LEU 77 2HD1 LEU 77 -5.883 1.605 4.430 591 HD13 LEU 77 3HD1 LEU 77 -6.258 1.453 6.150 592 HD21 LEU 77 3HD2 LEU 77 -3.957 -0.035 3.453 593 HD22 LEU 77 1HD2 LEU 77 -5.044 -1.312 4.010 594 HD23 LEU 77 2HD2 LEU 77 -3.372 -1.277 4.559 595 H LYS 78 H LYS 78 -1.254 1.228 8.262 596 HA LYS 78 HA LYS 78 0.063 3.699 7.860 597 HB2 LYS 78 2HB LYS 78 0.968 3.450 10.123 598 HB3 LYS 78 1HB LYS 78 -0.719 2.966 10.082 599 HG2 LYS 78 2HG LYS 78 0.045 0.560 9.991 600 HG3 LYS 78 1HG LYS 78 1.697 1.139 10.226 601 HD2 LYS 78 2HD LYS 78 1.008 2.147 12.398 602 HD3 LYS 78 1HD LYS 78 -0.627 1.523 12.156 603 HE2 LYS 78 2HE LYS 78 0.564 0.034 13.658 604 HE3 LYS 78 1HE LYS 78 0.322 -0.798 12.122 605 HZ1 LYS 78 3HZ LYS 78 2.635 -0.164 11.529 606 HZ2 LYS 78 1HZ LYS 78 2.545 -1.179 12.879 607 HZ3 LYS 78 2HZ LYS 78 2.835 0.473 13.084 608 H ASN 79 H ASN 79 1.292 0.376 7.871 609 HA ASN 79 HA ASN 79 4.092 1.024 7.751 610 HB2 ASN 79 2HB ASN 79 2.611 -1.604 7.232 611 HB3 ASN 79 1HB ASN 79 4.360 -1.456 7.363 612 HD21 ASN 79 1HD2 ASN 79 2.515 -3.039 8.984 613 HD22 ASN 79 2HD2 ASN 79 2.755 -2.532 10.614 614 H LEU 80 H LEU 80 1.729 -0.267 5.482 615 HA LEU 80 HA LEU 80 3.032 -0.288 3.075 616 HB2 LEU 80 2HB LEU 80 0.791 -1.181 3.355 617 HB3 LEU 80 1HB LEU 80 0.163 0.390 3.820 618 HG LEU 80 HG LEU 80 0.528 1.216 1.490 619 HD11 LEU 80 1HD1 LEU 80 1.017 -0.346 -0.335 620 HD12 LEU 80 2HD1 LEU 80 1.315 -1.637 0.831 621 HD13 LEU 80 3HD1 LEU 80 2.366 -0.219 0.791 622 HD21 LEU 80 3HD2 LEU 80 -1.673 0.368 2.159 623 HD22 LEU 80 1HD2 LEU 80 -1.217 -1.268 1.671 624 HD23 LEU 80 2HD2 LEU 80 -1.350 0.016 0.466 625 H ALA 81 H ALA 81 1.314 2.439 4.612 626 HA ALA 81 HA ALA 81 1.781 4.351 2.533 627 HB1 ALA 81 3HB ALA 81 0.907 6.015 4.128 628 HB2 ALA 81 1HB ALA 81 1.003 4.819 5.429 629 HB3 ALA 81 2HB ALA 81 -0.111 4.572 4.083 630 H ALA 82 H ALA 82 3.575 3.332 5.353 631 HA ALA 82 HA ALA 82 5.448 5.510 5.422 632 HB1 ALA 82 3HB ALA 82 5.064 4.097 7.407 633 HB2 ALA 82 1HB ALA 82 6.764 4.076 6.931 634 HB3 ALA 82 2HB ALA 82 5.724 2.701 6.553 635 H ARG 83 H ARG 83 5.454 2.235 3.967 636 HA ARG 83 HA ARG 83 7.986 2.233 2.748 637 HB2 ARG 83 2HB ARG 83 5.394 0.948 1.763 638 HB3 ARG 83 1HB ARG 83 6.990 0.573 1.126 639 HG2 ARG 83 2HG ARG 83 5.945 -0.037 3.911 640 HG3 ARG 83 1HG ARG 83 6.272 -1.188 2.611 641 HD2 ARG 83 2HD ARG 83 8.281 0.441 4.194 642 HD3 ARG 83 1HD ARG 83 8.094 -1.313 4.179 643 HE ARG 83 HE ARG 83 8.802 -1.153 1.746 644 HH11 ARG 83 1HH1 ARG 83 9.907 1.193 4.130 645 HH12 ARG 83 2HH1 ARG 83 11.342 1.591 3.252 646 HH21 ARG 83 1HH2 ARG 83 10.698 -0.604 0.608 647 HH22 ARG 83 2HH2 ARG 83 11.791 0.578 1.258 648 H ILE 84 H ILE 84 4.877 3.390 1.597 649 HA ILE 84 HA ILE 84 5.691 4.238 -1.008 650 HB ILE 84 HB ILE 84 3.259 4.899 0.702 651 HG12 ILE 84 2HG1 ILE 84 3.432 3.047 -1.713 652 HG13 ILE 84 1HG1 ILE 84 3.692 2.484 -0.066 653 HG21 ILE 84 1HG2 ILE 84 2.125 5.723 -1.332 654 HG22 ILE 84 2HG2 ILE 84 3.625 5.555 -2.244 655 HG23 ILE 84 3HG2 ILE 84 3.523 6.720 -0.923 656 HD11 ILE 84 3HD1 ILE 84 1.458 2.008 -0.843 657 HD12 ILE 84 1HD1 ILE 84 1.160 3.722 -1.116 658 HD13 ILE 84 2HD1 ILE 84 1.428 3.121 0.524 659 H ASP 85 H ASP 85 5.152 5.968 2.067 660 HA ASP 85 HA ASP 85 5.957 8.518 1.388 661 HB2 ASP 85 2HB ASP 85 4.985 7.870 3.591 662 HB3 ASP 85 1HB ASP 85 6.501 7.085 4.024 663 H GLU 86 H GLU 86 8.007 5.682 2.002 664 HA GLU 86 HA GLU 86 10.512 7.062 1.951 665 HB2 GLU 86 2HB GLU 86 10.329 4.761 2.851 666 HB3 GLU 86 1HB GLU 86 9.893 4.155 1.256 667 HG2 GLU 86 2HG GLU 86 12.133 4.904 0.415 668 HG3 GLU 86 1HG GLU 86 12.556 5.372 2.060 669 H LEU 87 H LEU 87 8.531 5.468 -0.538 670 HA LEU 87 HA LEU 87 10.324 5.749 -2.714 671 HB2 LEU 87 2HB LEU 87 7.292 5.448 -2.769 672 HB3 LEU 87 1HB LEU 87 8.361 5.201 -4.143 673 HG LEU 87 HG LEU 87 8.347 3.508 -1.608 674 HD11 LEU 87 1HD1 LEU 87 6.326 3.124 -2.920 675 HD12 LEU 87 2HD1 LEU 87 7.388 1.721 -2.978 676 HD13 LEU 87 3HD1 LEU 87 7.290 2.807 -4.368 677 HD21 LEU 87 3HD2 LEU 87 10.585 3.623 -2.579 678 HD22 LEU 87 1HD2 LEU 87 9.956 3.144 -4.159 679 HD23 LEU 87 2HD2 LEU 87 9.901 2.016 -2.799 680 H VAL 88 H VAL 88 7.654 7.848 -1.591 681 HA VAL 88 HA VAL 88 7.956 9.788 -3.688 682 HB VAL 88 HB VAL 88 6.369 11.197 -2.513 683 HG11 VAL 88 1HG1 VAL 88 5.513 8.287 -2.277 684 HG12 VAL 88 2HG1 VAL 88 5.400 9.298 -3.720 685 HG13 VAL 88 3HG1 VAL 88 4.430 9.683 -2.298 686 HG21 VAL 88 3HG2 VAL 88 7.202 11.026 -0.206 687 HG22 VAL 88 1HG2 VAL 88 6.643 9.356 -0.107 688 HG23 VAL 88 2HG2 VAL 88 5.475 10.669 -0.258 689 H ALA 89 H ALA 89 9.338 9.341 -0.494 690 HA ALA 89 HA ALA 89 10.651 11.867 -0.239 691 HB1 ALA 89 3HB ALA 89 12.073 10.733 1.432 692 HB2 ALA 89 1HB ALA 89 11.458 9.164 0.905 693 HB3 ALA 89 2HB ALA 89 10.375 10.324 1.675 694 H ALA 90 H ALA 90 11.576 8.745 -1.640 695 HA ALA 90 HA ALA 90 14.213 9.109 -2.281 696 HB1 ALA 90 3HB ALA 90 13.019 6.964 -2.483 697 HB2 ALA 90 1HB ALA 90 13.934 7.340 -3.947 698 HB3 ALA 90 2HB ALA 90 12.182 7.567 -3.916 699 H LYS 91 H LYS 91 11.435 9.949 -4.396 700 HA LYS 91 HA LYS 91 13.036 10.947 -6.535 701 HB2 LYS 91 2HB LYS 91 10.915 11.915 -7.425 702 HB3 LYS 91 1HB LYS 91 10.782 10.213 -7.002 703 HG2 LYS 91 2HG LYS 91 9.613 10.847 -4.900 704 HG3 LYS 91 1HG LYS 91 9.710 12.546 -5.379 705 HD2 LYS 91 2HD LYS 91 8.341 12.043 -7.392 706 HD3 LYS 91 1HD LYS 91 8.244 10.348 -6.906 707 HE2 LYS 91 2HE LYS 91 6.185 11.550 -6.313 708 HE3 LYS 91 1HE LYS 91 7.022 11.008 -4.861 709 HZ1 LYS 91 3HZ LYS 91 7.177 13.756 -5.975 710 HZ2 LYS 91 1HZ LYS 91 7.853 13.221 -4.521 711 HZ3 LYS 91 2HZ LYS 91 6.170 13.290 -4.697 712 H GLY 92 H GLY 92 11.531 12.542 -3.722 713 HA2 GLY 92 2HA GLY 92 12.453 15.192 -4.322 714 HA3 GLY 92 1HA GLY 92 11.857 14.614 -2.774 715 H ALA 93 H ALA 93 14.049 12.436 -3.071 716 HA ALA 93 HA ALA 93 16.163 13.819 -1.642 717 HB1 ALA 93 3HB ALA 93 17.180 11.584 -1.422 718 HB2 ALA 93 1HB ALA 93 15.984 10.917 -2.547 719 HB3 ALA 93 2HB ALA 93 15.474 11.532 -0.977 720 H LEU 94 H LEU 94 15.631 12.306 -4.787 721 HA LEU 94 HA LEU 94 18.170 12.664 -5.961 722 HB2 LEU 94 2HB LEU 94 15.404 12.624 -7.242 723 HB3 LEU 94 1HB LEU 94 16.912 12.525 -8.145 724 HG LEU 94 HG LEU 94 15.943 10.467 -6.116 725 HD11 LEU 94 1HD1 LEU 94 15.589 8.982 -8.039 726 HD12 LEU 94 2HD1 LEU 94 16.018 10.290 -9.146 727 HD13 LEU 94 3HD1 LEU 94 14.575 10.421 -8.135 728 HD21 LEU 94 3HD2 LEU 94 17.837 9.085 -6.889 729 HD22 LEU 94 1HD2 LEU 94 18.384 10.591 -6.153 730 HD23 LEU 94 2HD2 LEU 94 18.399 10.414 -7.909 731 H GLU 95 H GLU 95 15.576 14.930 -5.359 732 HA GLU 95 HA GLU 95 16.778 17.142 -6.805 733 HB2 GLU 95 2HB GLU 95 14.716 17.255 -4.549 734 HB3 GLU 95 1HB GLU 95 15.059 18.512 -5.736 735 HG2 GLU 95 2HG GLU 95 13.734 15.832 -6.253 736 HG3 GLU 95 1HG GLU 95 12.951 17.406 -6.240 737 H HIS 96 H HIS 96 18.485 18.377 -6.022 738 HA HIS 96 HA HIS 96 19.791 17.891 -3.563 739 HB2 HIS 96 2HB HIS 96 19.974 20.235 -5.489 740 HB3 HIS 96 1HB HIS 96 20.918 20.193 -4.006 741 HD1 HIS 96 HD1 HIS 96 21.095 19.230 -7.481 742 HD2 HIS 96 HD2 HIS 96 22.733 17.850 -3.924 743 HE1 HIS 96 HE1 HIS 96 23.093 17.873 -8.149 744 HE2 HIS 96 HE2 HIS 96 24.195 17.263 -5.970 745 H HIS 97 H HIS 97 17.172 20.061 -4.398 746 HA HIS 97 HA HIS 97 16.737 20.599 -1.525 747 HB2 HIS 97 2HB HIS 97 16.423 22.615 -3.801 748 HB3 HIS 97 1HB HIS 97 15.818 22.871 -2.164 749 HD1 HIS 97 HD1 HIS 97 17.803 22.733 -0.255 750 HD2 HIS 97 HD2 HIS 97 18.972 23.535 -4.161 751 HE1 HIS 97 HE1 HIS 97 20.116 23.695 -0.085 752 HE2 HIS 97 HE2 HIS 97 20.845 24.071 -2.462 753 H HIS 98 H HIS 98 14.702 20.228 -0.871 754 HA HIS 98 HA HIS 98 12.903 18.749 -2.531 755 HB2 HIS 98 2HB HIS 98 12.584 19.838 0.296 756 HB3 HIS 98 1HB HIS 98 11.414 18.779 -0.489 757 HD1 HIS 98 HD1 HIS 98 11.822 16.321 -0.305 758 HD2 HIS 98 HD2 HIS 98 15.159 18.553 0.769 759 HE1 HIS 98 HE1 HIS 98 13.477 14.669 0.613 760 HE2 HIS 98 HE2 HIS 98 15.547 16.020 1.085 761 H HIS 99 H HIS 99 10.572 19.287 -2.776 762 HA HIS 99 HA HIS 99 10.303 21.550 -4.387 763 HB2 HIS 99 2HB HIS 99 8.902 19.534 -4.642 764 HB3 HIS 99 1HB HIS 99 8.084 19.877 -3.125 765 HD1 HIS 99 HD1 HIS 99 6.199 21.623 -3.164 766 HD2 HIS 99 HD2 HIS 99 8.171 21.268 -6.809 767 HE1 HIS 99 HE1 HIS 99 4.809 22.923 -4.805 768 HE2 HIS 99 HE2 HIS 99 6.103 22.809 -6.970 769 H HIS 100 H HIS 100 10.071 23.639 -3.856 770 HA HIS 100 HA HIS 100 9.361 24.606 -1.247 771 HB2 HIS 100 2HB HIS 100 10.907 25.898 -2.599 772 HB3 HIS 100 1HB HIS 100 9.772 26.000 -3.936 773 HD1 HIS 100 HD1 HIS 100 8.099 27.899 -3.905 774 HD2 HIS 100 HD2 HIS 100 10.269 27.608 -0.370 775 HE1 HIS 100 HE1 HIS 100 7.541 29.975 -2.604 776 HE2 HIS 100 HE2 HIS 100 8.721 29.679 -0.400 777 H HIS 101 H HIS 101 7.309 24.670 -0.491 778 HA HIS 101 HA HIS 101 4.963 24.547 -2.120 779 HB2 HIS 101 2HB HIS 101 4.959 23.627 0.170 780 HB3 HIS 101 1HB HIS 101 5.274 25.222 0.843 781 HD1 HIS 101 HD1 HIS 101 3.265 26.767 1.178 782 HD2 HIS 101 HD2 HIS 101 2.300 23.272 -0.858 783 HE1 HIS 101 HE1 HIS 101 0.755 26.709 1.095 784 HE2 HIS 101 HE2 HIS 101 0.206 24.679 -0.286 Start of MODEL 8 1 H1 MET 1 1H MET 1 3.299 19.083 3.711 2 H2 MET 1 2H MET 1 2.405 17.787 3.097 3 H3 MET 1 3H MET 1 2.987 17.735 4.680 4 HA MET 1 HA MET 1 1.579 19.520 5.335 5 HB2 MET 1 2HB MET 1 1.571 20.755 3.197 6 HB3 MET 1 1HB MET 1 0.646 19.472 2.430 7 HG2 MET 1 2HG MET 1 -1.245 19.961 3.956 8 HG3 MET 1 1HG MET 1 -0.314 21.295 4.648 9 HE1 MET 1 3HE MET 1 -2.393 22.928 4.098 10 HE2 MET 1 1HE MET 1 -3.278 21.584 3.373 11 HE3 MET 1 2HE MET 1 -3.084 23.093 2.485 12 H THR 2 H THR 2 0.124 17.453 2.781 13 HA THR 2 HA THR 2 -1.798 16.301 4.641 14 HB THR 2 HB THR 2 -1.414 15.761 1.654 15 HG1 THR 2 HG1 THR 2 -2.885 17.709 3.094 16 HG21 THR 2 3HG2 THR 2 -3.724 14.874 1.711 17 HG22 THR 2 1HG2 THR 2 -3.830 15.186 3.446 18 HG23 THR 2 2HG2 THR 2 -2.713 13.963 2.834 19 H SER 3 H SER 3 -1.553 14.402 5.599 20 HA SER 3 HA SER 3 0.794 12.924 5.664 21 HB2 SER 3 2HB SER 3 -2.024 11.991 6.384 22 HB3 SER 3 1HB SER 3 -0.515 11.269 6.955 23 HG SER 3 HG SER 3 -0.067 13.260 8.018 24 H THR 4 H THR 4 1.599 11.235 4.510 25 HA THR 4 HA THR 4 0.581 10.456 2.002 26 HB THR 4 HB THR 4 2.567 8.922 3.748 27 HG1 THR 4 HG1 THR 4 4.112 10.120 2.502 28 HG21 THR 4 3HG2 THR 4 2.146 8.830 0.727 29 HG22 THR 4 1HG2 THR 4 1.732 7.539 1.859 30 HG23 THR 4 2HG2 THR 4 3.420 7.990 1.615 31 H PHE 5 H PHE 5 -0.035 9.252 5.240 32 HA PHE 5 HA PHE 5 -1.310 6.812 4.637 33 HB2 PHE 5 2HB PHE 5 -0.693 7.312 6.936 34 HB3 PHE 5 1HB PHE 5 -1.751 8.720 6.969 35 HD1 PHE 5 HD1 PHE 5 -1.935 5.006 6.354 36 HD2 PHE 5 HD2 PHE 5 -3.888 8.470 7.943 37 HE1 PHE 5 HE1 PHE 5 -3.807 3.617 7.111 38 HE2 PHE 5 HE2 PHE 5 -5.754 7.060 8.703 39 HZ PHE 5 HZ PHE 5 -5.718 4.630 8.280 40 H ASP 6 H ASP 6 -2.597 10.122 4.820 41 HA ASP 6 HA ASP 6 -5.343 9.498 4.516 42 HB2 ASP 6 2HB ASP 6 -4.528 11.723 5.307 43 HB3 ASP 6 1HB ASP 6 -3.884 12.052 3.700 44 H ARG 7 H ARG 7 -2.782 10.245 2.227 45 HA ARG 7 HA ARG 7 -4.246 10.291 -0.171 46 HB2 ARG 7 2HB ARG 7 -1.350 9.517 0.340 47 HB3 ARG 7 1HB ARG 7 -2.030 9.807 -1.257 48 HG2 ARG 7 2HG ARG 7 -1.794 11.862 0.967 49 HG3 ARG 7 1HG ARG 7 -0.743 11.736 -0.447 50 HD2 ARG 7 2HD ARG 7 -2.852 12.060 -1.869 51 HD3 ARG 7 1HD ARG 7 -3.676 12.506 -0.367 52 HE ARG 7 HE ARG 7 -1.224 13.935 -1.109 53 HH11 ARG 7 1HH1 ARG 7 -4.702 14.067 -0.724 54 HH12 ARG 7 2HH1 ARG 7 -4.784 15.783 -0.952 55 HH21 ARG 7 1HH2 ARG 7 -1.326 16.169 -1.381 56 HH22 ARG 7 2HH2 ARG 7 -2.857 16.983 -1.329 57 H VAL 8 H VAL 8 -2.362 7.628 1.303 58 HA VAL 8 HA VAL 8 -2.960 5.608 -0.578 59 HB VAL 8 HB VAL 8 -2.106 5.329 2.347 60 HG11 VAL 8 1HG1 VAL 8 -3.063 3.199 1.564 61 HG12 VAL 8 2HG1 VAL 8 -1.315 3.047 1.741 62 HG13 VAL 8 3HG1 VAL 8 -2.027 3.232 0.136 63 HG21 VAL 8 3HG2 VAL 8 -0.501 6.610 0.994 64 HG22 VAL 8 1HG2 VAL 8 -0.444 5.312 -0.200 65 HG23 VAL 8 2HG2 VAL 8 0.177 5.042 1.431 66 H ALA 9 H ALA 9 -4.590 6.656 2.356 67 HA ALA 9 HA ALA 9 -6.452 4.560 2.716 68 HB1 ALA 9 3HB ALA 9 -6.747 7.501 3.475 69 HB2 ALA 9 1HB ALA 9 -6.007 6.245 4.474 70 HB3 ALA 9 2HB ALA 9 -7.730 6.173 4.098 71 H THR 10 H THR 10 -6.718 7.696 1.032 72 HA THR 10 HA THR 10 -9.262 7.431 -0.098 73 HB THR 10 HB THR 10 -6.821 8.917 -1.114 74 HG1 THR 10 HG1 THR 10 -7.345 9.910 0.694 75 HG21 THR 10 3HG2 THR 10 -8.363 8.637 -2.996 76 HG22 THR 10 1HG2 THR 10 -8.367 10.321 -2.453 77 HG23 THR 10 2HG2 THR 10 -9.702 9.253 -2.020 78 H ILE 11 H ILE 11 -6.066 6.431 -1.372 79 HA ILE 11 HA ILE 11 -6.893 5.818 -4.002 80 HB ILE 11 HB ILE 11 -4.493 4.833 -2.422 81 HG12 ILE 11 2HG1 ILE 11 -4.409 7.241 -2.785 82 HG13 ILE 11 1HG1 ILE 11 -3.210 6.490 -3.828 83 HG21 ILE 11 1HG2 ILE 11 -3.470 4.139 -4.586 84 HG22 ILE 11 2HG2 ILE 11 -5.007 4.460 -5.393 85 HG23 ILE 11 3HG2 ILE 11 -4.897 3.187 -4.175 86 HD11 ILE 11 3HD1 ILE 11 -4.772 6.722 -5.720 87 HD12 ILE 11 1HD1 ILE 11 -4.346 8.268 -4.981 88 HD13 ILE 11 2HD1 ILE 11 -5.914 7.537 -4.648 89 H ILE 12 H ILE 12 -6.384 3.670 -1.191 90 HA ILE 12 HA ILE 12 -7.222 1.278 -2.500 91 HB ILE 12 HB ILE 12 -7.008 1.916 0.471 92 HG12 ILE 12 2HG1 ILE 12 -5.083 0.550 -1.461 93 HG13 ILE 12 1HG1 ILE 12 -4.871 2.138 -0.731 94 HG21 ILE 12 1HG2 ILE 12 -8.509 -0.017 0.182 95 HG22 ILE 12 2HG2 ILE 12 -6.977 -0.527 0.888 96 HG23 ILE 12 3HG2 ILE 12 -7.301 -0.827 -0.821 97 HD11 ILE 12 3HD1 ILE 12 -4.641 1.086 1.458 98 HD12 ILE 12 1HD1 ILE 12 -3.458 0.483 0.301 99 HD13 ILE 12 2HD1 ILE 12 -4.856 -0.505 0.718 100 H ALA 13 H ALA 13 -8.902 3.790 -0.711 101 HA ALA 13 HA ALA 13 -11.421 2.609 -0.350 102 HB1 ALA 13 3HB ALA 13 -12.291 4.892 -0.119 103 HB2 ALA 13 1HB ALA 13 -10.818 5.550 -0.842 104 HB3 ALA 13 2HB ALA 13 -10.748 4.740 0.721 105 H GLU 14 H GLU 14 -10.173 4.556 -3.089 106 HA GLU 14 HA GLU 14 -12.531 4.323 -4.665 107 HB2 GLU 14 2HB GLU 14 -9.737 4.946 -5.694 108 HB3 GLU 14 1HB GLU 14 -11.274 5.373 -6.445 109 HG2 GLU 14 2HG GLU 14 -10.026 6.542 -3.949 110 HG3 GLU 14 1HG GLU 14 -10.343 7.354 -5.475 111 H THR 15 H THR 15 -9.441 2.556 -4.651 112 HA THR 15 HA THR 15 -9.780 1.182 -7.100 113 HB THR 15 HB THR 15 -7.951 0.423 -4.770 114 HG1 THR 15 HG1 THR 15 -6.821 2.111 -5.322 115 HG21 THR 15 3HG2 THR 15 -6.532 -0.615 -6.499 116 HG22 THR 15 1HG2 THR 15 -7.713 -0.188 -7.737 117 HG23 THR 15 2HG2 THR 15 -8.133 -1.359 -6.485 118 H CYS 16 H CYS 16 -9.891 -0.034 -3.741 119 HA CYS 16 HA CYS 16 -11.102 -2.554 -4.597 120 HB2 CYS 16 2HB CYS 16 -10.051 -1.644 -1.891 121 HB3 CYS 16 1HB CYS 16 -10.558 -3.286 -2.297 122 HG CYS 16 HG CYS 16 -8.220 -4.028 -2.988 123 H ASP 17 H ASP 17 -12.390 0.357 -3.962 124 HA ASP 17 HA ASP 17 -14.271 1.255 -3.174 125 HB2 ASP 17 2HB ASP 17 -15.137 -0.262 -4.969 126 HB3 ASP 17 1HB ASP 17 -15.443 -1.495 -3.753 127 H ILE 18 H ILE 18 -13.122 1.300 -1.059 128 HA ILE 18 HA ILE 18 -14.615 -0.159 1.048 129 HB ILE 18 HB ILE 18 -11.628 0.514 1.139 130 HG12 ILE 18 2HG1 ILE 18 -12.965 -2.222 0.877 131 HG13 ILE 18 1HG1 ILE 18 -12.112 -1.383 -0.417 132 HG21 ILE 18 1HG2 ILE 18 -11.596 -0.761 3.272 133 HG22 ILE 18 2HG2 ILE 18 -13.342 -0.988 3.167 134 HG23 ILE 18 3HG2 ILE 18 -12.672 0.632 3.375 135 HD11 ILE 18 3HD1 ILE 18 -10.900 -2.413 2.145 136 HD12 ILE 18 1HD1 ILE 18 -10.032 -1.551 0.871 137 HD13 ILE 18 2HD1 ILE 18 -10.746 -3.128 0.541 138 HA PRO 19 HA PRO 19 -15.445 4.209 2.085 139 HB2 PRO 19 2HB PRO 19 -16.567 3.036 4.609 140 HB3 PRO 19 1HB PRO 19 -17.330 4.124 3.441 141 HG2 PRO 19 2HG PRO 19 -18.029 1.550 3.533 142 HG3 PRO 19 1HG PRO 19 -17.859 2.378 1.968 143 HD2 PRO 19 2HD PRO 19 -15.910 0.520 3.349 144 HD3 PRO 19 1HD PRO 19 -16.420 0.543 1.642 145 H ARG 20 H ARG 20 -14.535 5.785 3.419 146 HA ARG 20 HA ARG 20 -12.027 5.274 4.620 147 HB2 ARG 20 2HB ARG 20 -13.862 7.697 4.753 148 HB3 ARG 20 1HB ARG 20 -12.236 7.679 5.433 149 HG2 ARG 20 2HG ARG 20 -12.802 7.151 2.496 150 HG3 ARG 20 1HG ARG 20 -12.509 8.764 3.142 151 HD2 ARG 20 2HD ARG 20 -10.316 7.289 4.109 152 HD3 ARG 20 1HD ARG 20 -10.575 6.623 2.493 153 HE ARG 20 HE ARG 20 -10.339 8.872 1.596 154 HH11 ARG 20 1HH1 ARG 20 -9.059 8.387 4.841 155 HH12 ARG 20 2HH1 ARG 20 -8.174 9.879 4.838 156 HH21 ARG 20 1HH2 ARG 20 -9.200 10.827 1.642 157 HH22 ARG 20 2HH2 ARG 20 -8.243 11.253 3.030 158 H GLU 21 H GLU 21 -15.256 5.398 5.941 159 HA GLU 21 HA GLU 21 -14.700 5.645 8.707 160 HB2 GLU 21 2HB GLU 21 -17.025 4.772 9.006 161 HB3 GLU 21 1HB GLU 21 -16.930 6.055 7.801 162 HG2 GLU 21 2HG GLU 21 -16.876 4.270 6.018 163 HG3 GLU 21 1HG GLU 21 -17.194 3.077 7.278 164 H THR 22 H THR 22 -14.671 2.848 6.550 165 HA THR 22 HA THR 22 -14.221 0.947 8.747 166 HB THR 22 HB THR 22 -14.243 -0.783 6.894 167 HG1 THR 22 HG1 THR 22 -13.640 0.812 5.218 168 HG21 THR 22 3HG2 THR 22 -16.698 1.019 6.976 169 HG22 THR 22 1HG2 THR 22 -16.329 -0.274 8.119 170 HG23 THR 22 2HG2 THR 22 -16.666 -0.662 6.431 171 H ILE 23 H ILE 23 -12.386 2.937 6.692 172 HA ILE 23 HA ILE 23 -9.982 1.296 6.613 173 HB ILE 23 HB ILE 23 -10.716 4.070 5.618 174 HG12 ILE 23 2HG1 ILE 23 -9.754 1.567 4.156 175 HG13 ILE 23 1HG1 ILE 23 -11.427 2.098 4.272 176 HG21 ILE 23 1HG2 ILE 23 -8.422 4.334 6.443 177 HG22 ILE 23 2HG2 ILE 23 -8.438 4.364 4.679 178 HG23 ILE 23 3HG2 ILE 23 -7.906 2.918 5.533 179 HD11 ILE 23 3HD1 ILE 23 -10.871 4.101 2.984 180 HD12 ILE 23 1HD1 ILE 23 -10.490 2.609 2.121 181 HD13 ILE 23 2HD1 ILE 23 -9.198 3.548 2.863 182 H THR 24 H THR 24 -8.589 1.232 8.264 183 HA THR 24 HA THR 24 -8.122 3.594 9.991 184 HB THR 24 HB THR 24 -7.874 2.083 11.963 185 HG1 THR 24 HG1 THR 24 -8.933 0.065 10.254 186 HG21 THR 24 3HG2 THR 24 -10.600 1.786 10.654 187 HG22 THR 24 1HG2 THR 24 -10.067 3.165 11.621 188 HG23 THR 24 2HG2 THR 24 -10.252 1.578 12.373 189 HA PRO 25 HA PRO 25 -3.735 2.865 9.222 190 HB2 PRO 25 2HB PRO 25 -2.628 2.914 11.806 191 HB3 PRO 25 1HB PRO 25 -2.999 4.343 10.835 192 HG2 PRO 25 2HG PRO 25 -4.651 3.030 12.988 193 HG3 PRO 25 1HG PRO 25 -4.335 4.758 12.718 194 HD2 PRO 25 2HD PRO 25 -6.659 3.693 11.967 195 HD3 PRO 25 1HD PRO 25 -5.851 4.876 10.908 196 H GLU 26 H GLU 26 -5.323 0.830 11.601 197 HA GLU 26 HA GLU 26 -3.196 -1.187 11.636 198 HB2 GLU 26 2HB GLU 26 -5.816 -0.980 13.177 199 HB3 GLU 26 1HB GLU 26 -4.609 -2.242 13.412 200 HG2 GLU 26 2HG GLU 26 -2.968 -0.605 14.179 201 HG3 GLU 26 1HG GLU 26 -4.085 0.721 13.835 202 H SER 27 H SER 27 -5.950 -0.569 9.754 203 HA SER 27 HA SER 27 -6.957 -3.134 9.215 204 HB2 SER 27 2HB SER 27 -6.761 -0.717 7.362 205 HB3 SER 27 1HB SER 27 -7.738 -2.153 7.043 206 HG SER 27 HG SER 27 -9.112 -1.597 8.586 207 H HIS 28 H HIS 28 -5.390 -4.691 8.973 208 HA HIS 28 HA HIS 28 -3.331 -4.645 6.970 209 HB2 HIS 28 2HB HIS 28 -3.291 -6.131 8.993 210 HB3 HIS 28 1HB HIS 28 -4.651 -7.028 8.341 211 HD2 HIS 28 HD2 HIS 28 -0.883 -7.074 8.309 212 HE1 HIS 28 HE1 HIS 28 -2.136 -9.550 5.124 213 HE2 HIS 28 HE2 HIS 28 -0.270 -9.051 6.741 214 H ALA 29 H ALA 29 -3.623 -4.899 4.812 215 HA ALA 29 HA ALA 29 -6.017 -4.814 3.515 216 HB1 ALA 29 3HB ALA 29 -4.831 -5.404 1.452 217 HB2 ALA 29 1HB ALA 29 -3.461 -5.985 2.402 218 HB3 ALA 29 2HB ALA 29 -3.892 -4.276 2.433 219 H ILE 30 H ILE 30 -4.096 -7.842 3.979 220 HA ILE 30 HA ILE 30 -6.046 -9.519 2.726 221 HB ILE 30 HB ILE 30 -3.748 -10.246 4.583 222 HG12 ILE 30 2HG1 ILE 30 -3.994 -10.363 1.541 223 HG13 ILE 30 1HG1 ILE 30 -3.032 -9.208 2.452 224 HG21 ILE 30 1HG2 ILE 30 -4.006 -12.587 3.779 225 HG22 ILE 30 2HG2 ILE 30 -5.484 -12.115 2.933 226 HG23 ILE 30 3HG2 ILE 30 -5.408 -12.035 4.695 227 HD11 ILE 30 3HD1 ILE 30 -2.543 -12.179 2.289 228 HD12 ILE 30 1HD1 ILE 30 -1.570 -11.021 3.205 229 HD13 ILE 30 2HD1 ILE 30 -1.655 -10.911 1.446 230 H ASP 31 H ASP 31 -5.329 -8.729 6.152 231 HA ASP 31 HA ASP 31 -7.168 -10.636 7.245 232 HB2 ASP 31 2HB ASP 31 -5.171 -9.764 8.493 233 HB3 ASP 31 1HB ASP 31 -5.955 -8.198 8.608 234 H ASP 32 H ASP 32 -7.357 -7.038 7.634 235 HA ASP 32 HA ASP 32 -10.144 -7.180 8.318 236 HB2 ASP 32 2HB ASP 32 -8.737 -5.495 9.392 237 HB3 ASP 32 1HB ASP 32 -8.348 -4.766 7.837 238 H LEU 33 H LEU 33 -8.376 -5.791 5.531 239 HA LEU 33 HA LEU 33 -10.788 -4.788 4.303 240 HB2 LEU 33 2HB LEU 33 -7.995 -4.983 3.138 241 HB3 LEU 33 1HB LEU 33 -9.317 -4.024 2.491 242 HG LEU 33 HG LEU 33 -7.873 -3.535 5.132 243 HD11 LEU 33 1HD1 LEU 33 -6.519 -2.949 3.188 244 HD12 LEU 33 2HD1 LEU 33 -7.034 -1.498 4.044 245 HD13 LEU 33 3HD1 LEU 33 -7.832 -1.960 2.536 246 HD21 LEU 33 3HD2 LEU 33 -10.140 -1.938 3.875 247 HD22 LEU 33 1HD2 LEU 33 -9.195 -1.445 5.286 248 HD23 LEU 33 2HD2 LEU 33 -10.216 -2.877 5.369 249 H GLY 34 H GLY 34 -9.090 -7.807 4.152 250 HA2 GLY 34 2HA GLY 34 -9.699 -9.800 3.149 251 HA3 GLY 34 1HA GLY 34 -11.119 -9.003 2.499 252 H ILE 35 H ILE 35 -8.136 -7.529 1.776 253 HA ILE 35 HA ILE 35 -8.329 -8.069 -1.064 254 HB ILE 35 HB ILE 35 -6.442 -6.317 0.565 255 HG12 ILE 35 2HG1 ILE 35 -8.827 -5.472 -1.150 256 HG13 ILE 35 1HG1 ILE 35 -8.897 -5.667 0.600 257 HG21 ILE 35 1HG2 ILE 35 -5.807 -5.239 -1.564 258 HG22 ILE 35 2HG2 ILE 35 -6.789 -6.398 -2.455 259 HG23 ILE 35 3HG2 ILE 35 -5.371 -6.947 -1.559 260 HD11 ILE 35 3HD1 ILE 35 -7.211 -3.680 -0.909 261 HD12 ILE 35 1HD1 ILE 35 -7.234 -3.872 0.846 262 HD13 ILE 35 2HD1 ILE 35 -8.683 -3.350 -0.010 263 H ASP 36 H ASP 36 -7.333 -9.800 -1.919 264 HA ASP 36 HA ASP 36 -5.112 -11.194 -0.666 265 HB2 ASP 36 2HB ASP 36 -7.009 -12.390 -1.857 266 HB3 ASP 36 1HB ASP 36 -6.468 -11.677 -3.371 267 H SER 37 H SER 37 -3.120 -11.668 -1.961 268 HA SER 37 HA SER 37 -1.704 -9.490 -2.900 269 HB2 SER 37 2HB SER 37 -1.229 -12.428 -3.553 270 HB3 SER 37 1HB SER 37 -0.022 -11.137 -3.617 271 HG SER 37 HG SER 37 0.055 -11.080 -1.462 272 H LEU 38 H LEU 38 -4.048 -11.377 -4.670 273 HA LEU 38 HA LEU 38 -3.161 -10.668 -7.342 274 HB2 LEU 38 2HB LEU 38 -5.846 -11.732 -6.376 275 HB3 LEU 38 1HB LEU 38 -5.347 -11.616 -8.058 276 HG LEU 38 HG LEU 38 -4.073 -13.424 -5.965 277 HD11 LEU 38 1HD1 LEU 38 -5.138 -15.291 -7.146 278 HD12 LEU 38 2HD1 LEU 38 -5.940 -14.165 -8.242 279 HD13 LEU 38 3HD1 LEU 38 -6.343 -14.166 -6.522 280 HD21 LEU 38 3HD2 LEU 38 -3.528 -13.231 -8.950 281 HD22 LEU 38 1HD2 LEU 38 -2.864 -14.452 -7.860 282 HD23 LEU 38 2HD2 LEU 38 -2.430 -12.760 -7.648 283 H ASP 39 H ASP 39 -5.697 -9.638 -5.079 284 HA ASP 39 HA ASP 39 -6.854 -7.627 -6.791 285 HB2 ASP 39 2HB ASP 39 -8.111 -8.875 -4.979 286 HB3 ASP 39 1HB ASP 39 -7.165 -8.005 -3.774 287 H PHE 40 H PHE 40 -4.281 -7.731 -4.466 288 HA PHE 40 HA PHE 40 -4.054 -4.956 -3.860 289 HB2 PHE 40 2HB PHE 40 -3.099 -7.050 -2.584 290 HB3 PHE 40 1HB PHE 40 -1.738 -6.916 -3.686 291 HD1 PHE 40 HD1 PHE 40 -0.178 -4.974 -3.500 292 HD2 PHE 40 HD2 PHE 40 -3.465 -5.399 -0.806 293 HE1 PHE 40 HE1 PHE 40 0.827 -3.295 -2.016 294 HE2 PHE 40 HE2 PHE 40 -2.460 -3.706 0.667 295 HZ PHE 40 HZ PHE 40 -0.321 -2.654 0.067 296 H LEU 41 H LEU 41 -3.120 -6.852 -6.610 297 HA LEU 41 HA LEU 41 -0.918 -5.416 -7.648 298 HB2 LEU 41 2HB LEU 41 -3.171 -6.807 -9.156 299 HB3 LEU 41 1HB LEU 41 -1.649 -6.292 -9.873 300 HG LEU 41 HG LEU 41 -1.949 -8.445 -7.729 301 HD11 LEU 41 1HD1 LEU 41 -2.835 -9.197 -9.883 302 HD12 LEU 41 2HD1 LEU 41 -1.338 -10.040 -9.498 303 HD13 LEU 41 3HD1 LEU 41 -1.330 -8.736 -10.690 304 HD21 LEU 41 3HD2 LEU 41 0.208 -7.305 -7.526 305 HD22 LEU 41 1HD2 LEU 41 0.535 -7.568 -9.237 306 HD23 LEU 41 2HD2 LEU 41 0.426 -8.940 -8.132 307 H ASP 42 H ASP 42 -4.426 -4.939 -7.999 308 HA ASP 42 HA ASP 42 -4.421 -2.706 -9.757 309 HB2 ASP 42 2HB ASP 42 -6.522 -3.589 -7.727 310 HB3 ASP 42 1HB ASP 42 -6.789 -2.405 -9.007 311 H ILE 43 H ILE 43 -4.347 -2.997 -6.232 312 HA ILE 43 HA ILE 43 -4.654 -0.276 -5.524 313 HB ILE 43 HB ILE 43 -3.138 -2.518 -4.114 314 HG12 ILE 43 2HG1 ILE 43 -5.930 -1.377 -3.677 315 HG13 ILE 43 1HG1 ILE 43 -5.527 -2.982 -4.288 316 HG21 ILE 43 1HG2 ILE 43 -2.219 -0.394 -3.319 317 HG22 ILE 43 2HG2 ILE 43 -3.173 -1.160 -2.053 318 HG23 ILE 43 3HG2 ILE 43 -3.841 0.202 -2.955 319 HD11 ILE 43 3HD1 ILE 43 -4.522 -3.513 -2.093 320 HD12 ILE 43 1HD1 ILE 43 -6.237 -3.123 -2.012 321 HD13 ILE 43 2HD1 ILE 43 -5.045 -1.931 -1.501 322 H ALA 44 H ALA 44 -1.755 -2.243 -6.120 323 HA ALA 44 HA ALA 44 0.183 -0.237 -5.606 324 HB1 ALA 44 3HB ALA 44 0.709 -2.644 -5.531 325 HB2 ALA 44 1HB ALA 44 1.783 -1.803 -6.652 326 HB3 ALA 44 2HB ALA 44 0.438 -2.769 -7.270 327 H PHE 45 H PHE 45 -1.577 -1.232 -8.478 328 HA PHE 45 HA PHE 45 -0.203 0.223 -10.471 329 HB2 PHE 45 2HB PHE 45 -1.701 -1.597 -11.056 330 HB3 PHE 45 1HB PHE 45 -3.066 -0.796 -10.295 331 HD1 PHE 45 HD2 PHE 45 -0.569 -0.218 -13.060 332 HD2 PHE 45 HD1 PHE 45 -4.584 0.340 -11.686 333 HE1 PHE 45 HE2 PHE 45 -1.191 0.740 -15.240 334 HE2 PHE 45 HE1 PHE 45 -5.190 1.302 -13.869 335 HZ PHE 45 HZ PHE 45 -3.496 1.500 -15.647 336 H ALA 46 H ALA 46 -3.125 0.982 -8.606 337 HA ALA 46 HA ALA 46 -3.631 3.561 -9.624 338 HB1 ALA 46 3HB ALA 46 -5.129 3.811 -7.677 339 HB2 ALA 46 1HB ALA 46 -4.404 2.382 -6.933 340 HB3 ALA 46 2HB ALA 46 -5.322 2.227 -8.432 341 H ILE 47 H ILE 47 -1.620 2.425 -6.974 342 HA ILE 47 HA ILE 47 -0.992 4.946 -5.798 343 HB ILE 47 HB ILE 47 0.189 2.158 -5.598 344 HG12 ILE 47 2HG1 ILE 47 -1.172 3.903 -3.498 345 HG13 ILE 47 1HG1 ILE 47 -2.011 2.715 -4.485 346 HG21 ILE 47 1HG2 ILE 47 1.280 4.574 -4.116 347 HG22 ILE 47 2HG2 ILE 47 2.138 3.613 -5.321 348 HG23 ILE 47 3HG2 ILE 47 1.695 2.892 -3.775 349 HD11 ILE 47 3HD1 ILE 47 -1.524 1.951 -2.206 350 HD12 ILE 47 1HD1 ILE 47 0.199 2.072 -2.545 351 HD13 ILE 47 2HD1 ILE 47 -0.796 0.923 -3.441 352 H ASP 48 H ASP 48 0.635 2.909 -8.227 353 HA ASP 48 HA ASP 48 2.988 4.422 -8.557 354 HB2 ASP 48 2HB ASP 48 1.515 2.606 -10.519 355 HB3 ASP 48 1HB ASP 48 3.077 3.339 -10.886 356 H LYS 49 H LYS 49 -0.172 4.694 -10.124 357 HA LYS 49 HA LYS 49 0.555 6.759 -11.969 358 HB2 LYS 49 2HB LYS 49 -2.155 5.849 -10.955 359 HB3 LYS 49 1HB LYS 49 -1.909 6.931 -12.324 360 HG2 LYS 49 2HG LYS 49 -0.898 5.175 -13.622 361 HG3 LYS 49 1HG LYS 49 -0.831 4.094 -12.227 362 HD2 LYS 49 2HD LYS 49 -2.663 3.494 -13.773 363 HD3 LYS 49 1HD LYS 49 -3.277 3.951 -12.184 364 HE2 LYS 49 2HE LYS 49 -3.797 6.233 -13.107 365 HE3 LYS 49 1HE LYS 49 -3.280 5.664 -14.698 366 HZ1 LYS 49 3HZ LYS 49 -5.509 4.562 -13.091 367 HZ2 LYS 49 1HZ LYS 49 -5.017 4.004 -14.609 368 HZ3 LYS 49 2HZ LYS 49 -5.653 5.560 -14.447 369 H ALA 50 H ALA 50 -0.977 6.665 -8.788 370 HA ALA 50 HA ALA 50 -1.924 9.350 -8.703 371 HB1 ALA 50 3HB ALA 50 -1.397 7.415 -6.415 372 HB2 ALA 50 1HB ALA 50 -2.914 7.579 -7.308 373 HB3 ALA 50 2HB ALA 50 -2.334 8.905 -6.302 374 H PHE 51 H PHE 51 0.774 7.758 -7.008 375 HA PHE 51 HA PHE 51 1.783 10.270 -5.960 376 HB2 PHE 51 2HB PHE 51 2.813 7.420 -5.655 377 HB3 PHE 51 1HB PHE 51 3.445 8.817 -4.793 378 HD1 PHE 51 HD1 PHE 51 0.567 6.504 -5.079 379 HD2 PHE 51 HD2 PHE 51 2.243 9.774 -2.893 380 HE1 PHE 51 HE1 PHE 51 -1.061 6.135 -3.281 381 HE2 PHE 51 HE2 PHE 51 0.611 9.391 -1.097 382 HZ PHE 51 HZ PHE 51 -1.038 7.576 -1.287 383 H GLY 52 H GLY 52 2.400 8.251 -8.701 384 HA2 GLY 52 2HA GLY 52 3.852 8.486 -10.483 385 HA3 GLY 52 1HA GLY 52 4.438 9.987 -9.768 386 H ILE 53 H ILE 53 4.407 6.719 -8.397 387 HA ILE 53 HA ILE 53 7.358 6.817 -8.026 388 HB ILE 53 HB ILE 53 7.043 5.663 -5.853 389 HG12 ILE 53 2HG1 ILE 53 4.042 6.061 -6.321 390 HG13 ILE 53 1HG1 ILE 53 4.881 4.511 -6.379 391 HG21 ILE 53 1HG2 ILE 53 7.217 8.114 -5.857 392 HG22 ILE 53 2HG2 ILE 53 6.177 7.558 -4.545 393 HG23 ILE 53 3HG2 ILE 53 5.462 8.252 -6.005 394 HD11 ILE 53 3HD1 ILE 53 4.533 6.280 -3.966 395 HD12 ILE 53 1HD1 ILE 53 5.440 4.767 -4.000 396 HD13 ILE 53 2HD1 ILE 53 3.708 4.762 -4.304 397 H LYS 54 H LYS 54 8.031 4.467 -7.170 398 HA LYS 54 HA LYS 54 6.680 2.336 -8.719 399 HB2 LYS 54 2HB LYS 54 8.937 2.721 -9.607 400 HB3 LYS 54 1HB LYS 54 9.631 2.621 -7.991 401 HG2 LYS 54 2HG LYS 54 8.922 0.229 -7.862 402 HG3 LYS 54 1HG LYS 54 8.301 0.341 -9.513 403 HD2 LYS 54 2HD LYS 54 11.201 0.767 -8.681 404 HD3 LYS 54 1HD LYS 54 10.560 -0.721 -9.384 405 HE2 LYS 54 2HE LYS 54 10.015 0.470 -11.458 406 HE3 LYS 54 1HE LYS 54 10.560 1.992 -10.760 407 HZ1 LYS 54 3HZ LYS 54 12.189 0.965 -12.222 408 HZ2 LYS 54 1HZ LYS 54 12.280 -0.373 -11.194 409 HZ3 LYS 54 2HZ LYS 54 12.774 1.149 -10.649 410 H LEU 55 H LEU 55 5.343 1.555 -7.146 411 HA LEU 55 HA LEU 55 6.377 0.583 -4.604 412 HB2 LEU 55 2HB LEU 55 4.030 1.516 -4.918 413 HB3 LEU 55 1HB LEU 55 3.656 0.124 -5.918 414 HG LEU 55 HG LEU 55 4.497 -0.155 -2.998 415 HD11 LEU 55 1HD1 LEU 55 2.121 -0.342 -2.393 416 HD12 LEU 55 2HD1 LEU 55 1.663 0.092 -4.043 417 HD13 LEU 55 3HD1 LEU 55 2.515 1.255 -3.023 418 HD21 LEU 55 3HD2 LEU 55 4.645 -2.250 -4.264 419 HD22 LEU 55 1HD2 LEU 55 2.975 -2.075 -4.805 420 HD23 LEU 55 2HD2 LEU 55 3.332 -2.337 -3.094 421 HA PRO 56 HA PRO 56 7.522 -3.014 -7.246 422 HB2 PRO 56 2HB PRO 56 9.697 -3.862 -5.882 423 HB3 PRO 56 1HB PRO 56 9.743 -2.373 -6.839 424 HG2 PRO 56 2HG PRO 56 9.504 -2.712 -3.859 425 HG3 PRO 56 1HG PRO 56 10.398 -1.483 -4.779 426 HD2 PRO 56 2HD PRO 56 7.841 -1.146 -3.629 427 HD3 PRO 56 1HD PRO 56 8.561 -0.093 -4.863 428 H LEU 57 H LEU 57 5.455 -3.883 -6.579 429 HA LEU 57 HA LEU 57 5.052 -5.236 -4.103 430 HB2 LEU 57 2HB LEU 57 3.214 -4.215 -5.400 431 HB3 LEU 57 1HB LEU 57 3.467 -5.374 -6.693 432 HG LEU 57 HG LEU 57 2.749 -7.222 -5.223 433 HD11 LEU 57 1HD1 LEU 57 2.318 -5.113 -3.079 434 HD12 LEU 57 2HD1 LEU 57 3.519 -6.409 -3.046 435 HD13 LEU 57 3HD1 LEU 57 1.802 -6.800 -2.980 436 HD21 LEU 57 3HD2 LEU 57 0.384 -6.663 -5.071 437 HD22 LEU 57 1HD2 LEU 57 1.065 -6.019 -6.567 438 HD23 LEU 57 2HD2 LEU 57 0.751 -4.942 -5.203 439 H GLU 58 H GLU 58 6.032 -6.223 -7.326 440 HA GLU 58 HA GLU 58 5.896 -9.018 -7.117 441 HB2 GLU 58 2HB GLU 58 7.650 -9.010 -8.933 442 HB3 GLU 58 1HB GLU 58 6.272 -7.962 -9.264 443 HG2 GLU 58 2HG GLU 58 7.622 -6.000 -8.539 444 HG3 GLU 58 1HG GLU 58 9.004 -7.064 -8.270 445 H LYS 59 H LYS 59 8.346 -6.738 -6.028 446 HA LYS 59 HA LYS 59 10.288 -8.728 -5.268 447 HB2 LYS 59 2HB LYS 59 10.923 -6.470 -6.082 448 HB3 LYS 59 1HB LYS 59 10.180 -5.745 -4.663 449 HG2 LYS 59 2HG LYS 59 11.852 -6.741 -3.206 450 HG3 LYS 59 1HG LYS 59 12.512 -7.693 -4.538 451 HD2 LYS 59 2HD LYS 59 13.960 -5.761 -4.080 452 HD3 LYS 59 1HD LYS 59 13.231 -5.625 -5.683 453 HE2 LYS 59 2HE LYS 59 11.516 -4.067 -4.704 454 HE3 LYS 59 1HE LYS 59 12.382 -4.142 -3.169 455 HZ1 LYS 59 3HZ LYS 59 13.467 -3.137 -5.737 456 HZ2 LYS 59 1HZ LYS 59 14.317 -3.216 -4.277 457 HZ3 LYS 59 2HZ LYS 59 12.979 -2.194 -4.420 458 H TRP 60 H TRP 60 7.893 -6.687 -3.636 459 HA TRP 60 HA TRP 60 8.562 -7.289 -0.951 460 HB2 TRP 60 2HB TRP 60 5.956 -6.324 -2.203 461 HB3 TRP 60 1HB TRP 60 6.179 -6.489 -0.463 462 HD1 TRP 60 HD1 TRP 60 9.383 -5.175 -1.701 463 HE1 TRP 60 HE1 TRP 60 9.493 -2.625 -1.449 464 HE3 TRP 60 HE3 TRP 60 4.437 -4.219 -0.823 465 HZ2 TRP 60 HZ2 TRP 60 7.758 -0.492 -0.924 466 HZ3 TRP 60 HZ3 TRP 60 3.747 -1.893 -0.438 467 HH2 TRP 60 HH2 TRP 60 5.374 -0.063 -0.485 468 H THR 61 H THR 61 6.197 -8.741 -3.171 469 HA THR 61 HA THR 61 5.155 -10.789 -1.672 470 HB THR 61 HB THR 61 5.862 -10.781 -4.643 471 HG1 THR 61 HG1 THR 61 4.302 -9.199 -3.596 472 HG21 THR 61 3HG2 THR 61 4.137 -12.527 -4.933 473 HG22 THR 61 1HG2 THR 61 3.910 -12.608 -3.184 474 HG23 THR 61 2HG2 THR 61 5.442 -13.113 -3.900 475 H GLN 62 H GLN 62 8.206 -10.785 -3.530 476 HA GLN 62 HA GLN 62 8.945 -13.469 -2.955 477 HB2 GLN 62 2HB GLN 62 9.862 -12.184 -4.890 478 HB3 GLN 62 1HB GLN 62 10.745 -11.147 -3.782 479 HG2 GLN 62 2HG GLN 62 12.232 -12.817 -4.773 480 HG3 GLN 62 1HG GLN 62 12.090 -13.063 -3.032 481 HE21 GLN 62 1HE2 GLN 62 11.272 -14.329 -6.187 482 HE22 GLN 62 2HE2 GLN 62 10.831 -15.911 -5.658 483 H GLU 63 H GLU 63 9.589 -10.384 -1.303 484 HA GLU 63 HA GLU 63 11.451 -11.214 0.603 485 HB2 GLU 63 2HB GLU 63 9.188 -9.203 0.991 486 HB3 GLU 63 1HB GLU 63 10.572 -9.387 2.063 487 HG2 GLU 63 2HG GLU 63 10.573 -8.394 -0.796 488 HG3 GLU 63 1HG GLU 63 10.909 -7.465 0.666 489 H VAL 64 H VAL 64 7.896 -11.351 0.691 490 HA VAL 64 HA VAL 64 7.692 -12.497 3.279 491 HB VAL 64 HB VAL 64 5.630 -12.590 1.030 492 HG11 VAL 64 1HG1 VAL 64 5.268 -12.954 4.043 493 HG12 VAL 64 2HG1 VAL 64 5.120 -14.226 2.826 494 HG13 VAL 64 3HG1 VAL 64 3.961 -12.896 2.859 495 HG21 VAL 64 3HG2 VAL 64 5.956 -10.530 3.257 496 HG22 VAL 64 1HG2 VAL 64 4.641 -10.568 2.081 497 HG23 VAL 64 2HG2 VAL 64 6.295 -10.258 1.546 498 H ASN 65 H ASN 65 7.627 -13.877 0.022 499 HA ASN 65 HA ASN 65 7.104 -16.551 0.640 500 HB2 ASN 65 2HB ASN 65 8.598 -15.356 -1.732 501 HB3 ASN 65 1HB ASN 65 8.123 -17.051 -1.635 502 HD21 ASN 65 1HD2 ASN 65 7.303 -15.085 -3.591 503 HD22 ASN 65 2HD2 ASN 65 5.581 -14.985 -3.497 504 H ASP 66 H ASP 66 10.220 -14.850 0.629 505 HA ASP 66 HA ASP 66 11.733 -17.331 1.017 506 HB2 ASP 66 2HB ASP 66 12.556 -15.477 -0.504 507 HB3 ASP 66 1HB ASP 66 12.755 -14.454 0.914 508 H GLY 67 H GLY 67 10.070 -15.169 3.012 509 HA2 GLY 67 2HA GLY 67 9.856 -15.249 5.319 510 HA3 GLY 67 1HA GLY 67 11.320 -16.209 5.430 511 H LYS 68 H LYS 68 11.681 -13.425 3.534 512 HA LYS 68 HA LYS 68 13.515 -12.160 5.371 513 HB2 LYS 68 2HB LYS 68 12.369 -11.106 2.748 514 HB3 LYS 68 1HB LYS 68 13.752 -10.447 3.611 515 HG2 LYS 68 2HG LYS 68 13.687 -13.241 2.419 516 HG3 LYS 68 1HG LYS 68 14.263 -11.821 1.552 517 HD2 LYS 68 2HD LYS 68 16.245 -12.814 2.338 518 HD3 LYS 68 1HD LYS 68 15.952 -11.539 3.520 519 HE2 LYS 68 2HE LYS 68 15.143 -13.141 5.134 520 HE3 LYS 68 1HE LYS 68 15.127 -14.439 3.942 521 HZ1 LYS 68 3HZ LYS 68 17.532 -14.268 3.808 522 HZ2 LYS 68 1HZ LYS 68 17.020 -14.620 5.378 523 HZ3 LYS 68 2HZ LYS 68 17.533 -13.059 4.986 524 H ALA 69 H ALA 69 10.181 -11.749 4.415 525 HA ALA 69 HA ALA 69 9.731 -9.674 6.450 526 HB1 ALA 69 3HB ALA 69 10.112 -8.424 4.356 527 HB2 ALA 69 1HB ALA 69 8.429 -8.294 4.871 528 HB3 ALA 69 2HB ALA 69 8.867 -9.374 3.544 529 H THR 70 H THR 70 7.444 -9.428 6.931 530 HA THR 70 HA THR 70 5.762 -11.759 6.192 531 HB THR 70 HB THR 70 6.098 -11.571 8.627 532 HG1 THR 70 HG1 THR 70 4.110 -12.380 8.203 533 HG21 THR 70 3HG2 THR 70 5.209 -9.665 9.924 534 HG22 THR 70 1HG2 THR 70 4.810 -8.821 8.426 535 HG23 THR 70 2HG2 THR 70 6.495 -9.144 8.835 536 H THR 71 H THR 71 3.493 -11.316 5.747 537 HA THR 71 HA THR 71 2.990 -9.291 3.872 538 HB THR 71 HB THR 71 0.510 -9.865 4.229 539 HG1 THR 71 HG1 THR 71 1.100 -12.111 5.688 540 HG21 THR 71 3HG2 THR 71 0.700 -12.153 3.306 541 HG22 THR 71 1HG2 THR 71 2.408 -12.193 3.756 542 HG23 THR 71 2HG2 THR 71 1.845 -11.055 2.532 543 H GLU 72 H GLU 72 2.595 -9.306 7.363 544 HA GLU 72 HA GLU 72 0.922 -7.129 7.800 545 HB2 GLU 72 2HB GLU 72 1.548 -8.574 9.628 546 HB3 GLU 72 1HB GLU 72 3.252 -8.232 9.413 547 HG2 GLU 72 2HG GLU 72 1.393 -6.004 10.226 548 HG3 GLU 72 1HG GLU 72 1.888 -7.191 11.425 549 H GLN 73 H GLN 73 4.413 -7.165 7.181 550 HA GLN 73 HA GLN 73 4.912 -4.452 7.781 551 HB2 GLN 73 2HB GLN 73 6.616 -6.280 7.746 552 HB3 GLN 73 1HB GLN 73 6.551 -6.277 5.986 553 HG2 GLN 73 2HG GLN 73 7.356 -3.931 5.976 554 HG3 GLN 73 1HG GLN 73 7.413 -3.945 7.736 555 HE21 GLN 73 1HE2 GLN 73 8.438 -6.592 5.631 556 HE22 GLN 73 2HE2 GLN 73 10.106 -6.508 6.046 557 H TYR 74 H TYR 74 3.519 -5.882 4.926 558 HA TYR 74 HA TYR 74 3.934 -3.383 3.373 559 HB2 TYR 74 2HB TYR 74 4.173 -6.246 2.337 560 HB3 TYR 74 1HB TYR 74 4.174 -4.812 1.310 561 HD1 TYR 74 HD1 TYR 74 5.889 -2.907 2.513 562 HD2 TYR 74 HD2 TYR 74 6.364 -7.157 2.473 563 HE1 TYR 74 HE1 TYR 74 8.303 -2.636 2.788 564 HE2 TYR 74 HE2 TYR 74 8.791 -6.876 2.753 565 HH TYR 74 HH TYR 74 10.198 -3.876 3.604 566 H PHE 75 H PHE 75 1.526 -5.097 4.804 567 HA PHE 75 HA PHE 75 -0.437 -4.394 2.691 568 HB2 PHE 75 2HB PHE 75 -0.374 -6.878 4.436 569 HB3 PHE 75 1HB PHE 75 -1.863 -6.333 3.679 570 HD1 PHE 75 HD1 PHE 75 1.668 -7.332 2.818 571 HD2 PHE 75 HD2 PHE 75 -2.381 -7.063 1.472 572 HE1 PHE 75 HE1 PHE 75 2.264 -8.547 0.768 573 HE2 PHE 75 HE2 PHE 75 -1.771 -8.272 -0.582 574 HZ PHE 75 HZ PHE 75 0.548 -9.013 -0.939 575 H VAL 76 H VAL 76 0.291 -4.365 6.176 576 HA VAL 76 HA VAL 76 -2.171 -3.226 7.045 577 HB VAL 76 HB VAL 76 0.616 -2.829 8.245 578 HG11 VAL 76 1HG1 VAL 76 -2.094 -2.227 9.493 579 HG12 VAL 76 2HG1 VAL 76 -0.889 -1.032 9.002 580 HG13 VAL 76 3HG1 VAL 76 -0.540 -2.140 10.330 581 HG21 VAL 76 3HG2 VAL 76 -0.047 -4.549 9.890 582 HG22 VAL 76 1HG2 VAL 76 -0.083 -5.190 8.247 583 HG23 VAL 76 2HG2 VAL 76 -1.589 -4.759 9.058 584 H LEU 77 H LEU 77 -2.907 -1.088 7.016 585 HA LEU 77 HA LEU 77 -2.133 0.385 4.763 586 HB2 LEU 77 2HB LEU 77 -3.906 1.248 7.067 587 HB3 LEU 77 1HB LEU 77 -3.734 2.139 5.559 588 HG LEU 77 HG LEU 77 -5.014 -0.577 5.976 589 HD11 LEU 77 1HD1 LEU 77 -6.473 1.321 6.368 590 HD12 LEU 77 2HD1 LEU 77 -6.966 0.454 4.915 591 HD13 LEU 77 3HD1 LEU 77 -6.089 1.984 4.775 592 HD21 LEU 77 3HD2 LEU 77 -3.639 -0.867 4.016 593 HD22 LEU 77 1HD2 LEU 77 -4.218 0.653 3.324 594 HD23 LEU 77 2HD2 LEU 77 -5.317 -0.712 3.516 595 H LYS 78 H LYS 78 -1.520 1.158 8.219 596 HA LYS 78 HA LYS 78 -0.190 3.613 7.777 597 HB2 LYS 78 2HB LYS 78 0.673 3.415 10.061 598 HB3 LYS 78 1HB LYS 78 -1.007 2.896 10.006 599 HG2 LYS 78 2HG LYS 78 -0.317 0.546 10.056 600 HG3 LYS 78 1HG LYS 78 1.380 1.028 10.056 601 HD2 LYS 78 2HD LYS 78 0.991 2.184 12.252 602 HD3 LYS 78 1HD LYS 78 -0.663 1.556 12.249 603 HE2 LYS 78 2HE LYS 78 0.734 0.121 13.635 604 HE3 LYS 78 1HE LYS 78 0.263 -0.767 12.187 605 HZ1 LYS 78 3HZ LYS 78 2.896 0.510 12.712 606 HZ2 LYS 78 1HZ LYS 78 2.462 -0.207 11.245 607 HZ3 LYS 78 2HZ LYS 78 2.565 -1.146 12.642 608 H ASN 79 H ASN 79 1.008 0.294 7.688 609 HA ASN 79 HA ASN 79 3.808 0.829 7.596 610 HB2 ASN 79 2HB ASN 79 2.190 -1.590 6.664 611 HB3 ASN 79 1HB ASN 79 3.948 -1.554 6.774 612 HD21 ASN 79 1HD2 ASN 79 3.619 -3.374 8.158 613 HD22 ASN 79 2HD2 ASN 79 3.262 -3.144 9.822 614 H LEU 80 H LEU 80 1.466 -0.122 5.107 615 HA LEU 80 HA LEU 80 2.953 0.114 2.810 616 HB2 LEU 80 2HB LEU 80 0.659 -0.848 2.966 617 HB3 LEU 80 1HB LEU 80 0.004 0.762 3.193 618 HG LEU 80 HG LEU 80 0.768 1.378 0.881 619 HD11 LEU 80 1HD1 LEU 80 1.553 -1.539 0.653 620 HD12 LEU 80 2HD1 LEU 80 2.645 -0.151 0.617 621 HD13 LEU 80 3HD1 LEU 80 1.480 -0.385 -0.682 622 HD21 LEU 80 3HD2 LEU 80 -1.046 -1.052 0.995 623 HD22 LEU 80 1HD2 LEU 80 -0.938 0.102 -0.339 624 HD23 LEU 80 2HD2 LEU 80 -1.540 0.626 1.232 625 H ALA 81 H ALA 81 1.104 2.590 4.514 626 HA ALA 81 HA ALA 81 1.519 4.788 2.799 627 HB1 ALA 81 3HB ALA 81 -0.242 4.739 4.513 628 HB2 ALA 81 1HB ALA 81 0.780 6.165 4.705 629 HB3 ALA 81 2HB ALA 81 0.975 4.781 5.788 630 H ALA 82 H ALA 82 3.408 3.480 5.488 631 HA ALA 82 HA ALA 82 5.283 5.618 5.711 632 HB1 ALA 82 3HB ALA 82 5.598 2.694 6.495 633 HB2 ALA 82 1HB ALA 82 4.947 3.973 7.522 634 HB3 ALA 82 2HB ALA 82 6.638 4.020 7.019 635 H ARG 83 H ARG 83 5.357 2.468 4.012 636 HA ARG 83 HA ARG 83 7.917 2.608 2.884 637 HB2 ARG 83 2HB ARG 83 5.430 1.196 1.803 638 HB3 ARG 83 1HB ARG 83 7.076 0.907 1.240 639 HG2 ARG 83 2HG ARG 83 5.954 0.277 3.999 640 HG3 ARG 83 1HG ARG 83 6.409 -0.879 2.738 641 HD2 ARG 83 2HD ARG 83 8.271 0.966 4.283 642 HD3 ARG 83 1HD ARG 83 8.150 -0.786 4.448 643 HE ARG 83 HE ARG 83 9.005 -0.935 2.113 644 HH11 ARG 83 1HH1 ARG 83 9.690 2.015 3.937 645 HH12 ARG 83 2HH1 ARG 83 11.121 2.369 3.029 646 HH21 ARG 83 1HH2 ARG 83 10.892 -0.414 0.949 647 HH22 ARG 83 2HH2 ARG 83 11.802 1.004 1.360 648 H ILE 84 H ILE 84 4.799 3.653 1.643 649 HA ILE 84 HA ILE 84 5.690 4.592 -0.889 650 HB ILE 84 HB ILE 84 3.162 5.138 0.713 651 HG12 ILE 84 2HG1 ILE 84 3.577 3.450 -1.799 652 HG13 ILE 84 1HG1 ILE 84 3.590 2.804 -0.160 653 HG21 ILE 84 1HG2 ILE 84 2.128 6.085 -1.337 654 HG22 ILE 84 2HG2 ILE 84 3.696 6.044 -2.143 655 HG23 ILE 84 3HG2 ILE 84 3.451 7.086 -0.743 656 HD11 ILE 84 3HD1 ILE 84 1.478 2.410 -1.259 657 HD12 ILE 84 1HD1 ILE 84 1.247 4.141 -1.507 658 HD13 ILE 84 2HD1 ILE 84 1.265 3.475 0.130 659 H ASP 85 H ASP 85 5.140 6.227 2.255 660 HA ASP 85 HA ASP 85 5.935 8.784 1.591 661 HB2 ASP 85 2HB ASP 85 5.011 8.075 3.804 662 HB3 ASP 85 1HB ASP 85 6.572 7.365 4.206 663 H GLU 86 H GLU 86 8.040 5.957 2.230 664 HA GLU 86 HA GLU 86 10.506 7.347 1.988 665 HB2 GLU 86 2HB GLU 86 9.729 4.449 1.733 666 HB3 GLU 86 1HB GLU 86 11.302 4.928 1.129 667 HG2 GLU 86 2HG GLU 86 11.662 4.128 3.312 668 HG3 GLU 86 1HG GLU 86 11.822 5.878 3.394 669 H LEU 87 H LEU 87 8.439 5.768 -0.405 670 HA LEU 87 HA LEU 87 10.169 5.997 -2.637 671 HB2 LEU 87 2HB LEU 87 7.139 5.709 -2.606 672 HB3 LEU 87 1HB LEU 87 8.187 5.366 -3.978 673 HG LEU 87 HG LEU 87 8.234 3.846 -1.333 674 HD11 LEU 87 1HD1 LEU 87 6.148 3.406 -2.507 675 HD12 LEU 87 2HD1 LEU 87 7.181 1.982 -2.521 676 HD13 LEU 87 3HD1 LEU 87 7.031 2.974 -3.974 677 HD21 LEU 87 3HD2 LEU 87 10.420 3.831 -2.452 678 HD22 LEU 87 1HD2 LEU 87 9.676 3.214 -3.932 679 HD23 LEU 87 2HD2 LEU 87 9.686 2.231 -2.464 680 H VAL 88 H VAL 88 7.536 8.127 -1.486 681 HA VAL 88 HA VAL 88 7.762 10.015 -3.651 682 HB VAL 88 HB VAL 88 6.205 11.458 -2.415 683 HG11 VAL 88 1HG1 VAL 88 4.246 9.940 -2.295 684 HG12 VAL 88 2HG1 VAL 88 5.324 8.543 -2.361 685 HG13 VAL 88 3HG1 VAL 88 5.225 9.642 -3.738 686 HG21 VAL 88 3HG2 VAL 88 5.297 10.828 -0.196 687 HG22 VAL 88 1HG2 VAL 88 7.033 11.133 -0.115 688 HG23 VAL 88 2HG2 VAL 88 6.429 9.476 -0.110 689 H ALA 89 H ALA 89 9.172 9.716 -0.429 690 HA ALA 89 HA ALA 89 10.508 12.239 -0.333 691 HB1 ALA 89 3HB ALA 89 11.988 11.193 1.338 692 HB2 ALA 89 1HB ALA 89 11.372 9.595 0.901 693 HB3 ALA 89 2HB ALA 89 10.304 10.776 1.654 694 H ALA 90 H ALA 90 11.363 9.057 -1.658 695 HA ALA 90 HA ALA 90 13.978 9.397 -2.422 696 HB1 ALA 90 3HB ALA 90 13.626 7.564 -4.015 697 HB2 ALA 90 1HB ALA 90 11.875 7.775 -3.895 698 HB3 ALA 90 2HB ALA 90 12.798 7.237 -2.491 699 H LYS 91 H LYS 91 11.064 10.227 -4.401 700 HA LYS 91 HA LYS 91 12.505 11.028 -6.714 701 HB2 LYS 91 2HB LYS 91 10.482 12.019 -7.553 702 HB3 LYS 91 1HB LYS 91 10.037 10.542 -6.704 703 HG2 LYS 91 2HG LYS 91 9.244 11.851 -4.790 704 HG3 LYS 91 1HG LYS 91 9.783 13.343 -5.552 705 HD2 LYS 91 2HD LYS 91 7.422 13.248 -5.858 706 HD3 LYS 91 1HD LYS 91 8.133 12.877 -7.426 707 HE2 LYS 91 2HE LYS 91 7.125 10.763 -5.487 708 HE3 LYS 91 1HE LYS 91 6.149 11.457 -6.779 709 HZ1 LYS 91 3HZ LYS 91 8.638 9.890 -7.101 710 HZ2 LYS 91 1HZ LYS 91 7.810 10.646 -8.366 711 HZ3 LYS 91 2HZ LYS 91 7.072 9.402 -7.495 712 H GLY 92 H GLY 92 11.403 12.828 -3.868 713 HA2 GLY 92 2HA GLY 92 12.216 15.419 -4.627 714 HA3 GLY 92 1HA GLY 92 11.973 14.853 -2.979 715 H ALA 93 H ALA 93 13.993 12.700 -3.440 716 HA ALA 93 HA ALA 93 16.378 14.194 -2.656 717 HB1 ALA 93 3HB ALA 93 15.720 12.178 -1.401 718 HB2 ALA 93 1HB ALA 93 17.315 11.978 -2.132 719 HB3 ALA 93 2HB ALA 93 15.908 11.196 -2.857 720 H LEU 94 H LEU 94 15.303 12.098 -5.320 721 HA LEU 94 HA LEU 94 17.674 11.996 -6.846 722 HB2 LEU 94 2HB LEU 94 14.809 11.983 -7.884 723 HB3 LEU 94 1HB LEU 94 16.223 11.453 -8.783 724 HG LEU 94 HG LEU 94 14.992 10.086 -6.362 725 HD11 LEU 94 1HD1 LEU 94 15.177 9.161 -9.241 726 HD12 LEU 94 2HD1 LEU 94 13.728 9.748 -8.421 727 HD13 LEU 94 3HD1 LEU 94 14.487 8.251 -7.889 728 HD21 LEU 94 3HD2 LEU 94 17.480 9.266 -7.891 729 HD22 LEU 94 1HD2 LEU 94 16.678 8.320 -6.632 730 HD23 LEU 94 2HD2 LEU 94 17.421 9.865 -6.231 731 H GLU 95 H GLU 95 15.025 14.317 -6.690 732 HA GLU 95 HA GLU 95 16.016 16.104 -8.693 733 HB2 GLU 95 2HB GLU 95 13.590 15.879 -7.527 734 HB3 GLU 95 1HB GLU 95 14.249 17.084 -6.437 735 HG2 GLU 95 2HG GLU 95 13.880 17.351 -9.439 736 HG3 GLU 95 1HG GLU 95 12.925 18.135 -8.184 737 H HIS 96 H HIS 96 17.790 17.278 -8.466 738 HA HIS 96 HA HIS 96 18.639 18.418 -5.915 739 HB2 HIS 96 2HB HIS 96 19.789 16.265 -5.890 740 HB3 HIS 96 1HB HIS 96 20.335 16.472 -7.549 741 HD1 HIS 96 HD1 HIS 96 22.680 17.226 -7.738 742 HD2 HIS 96 HD2 HIS 96 21.001 18.427 -4.142 743 HE1 HIS 96 HE1 HIS 96 24.512 18.421 -6.511 744 HE2 HIS 96 HE2 HIS 96 23.442 19.238 -4.390 745 H HIS 97 H HIS 97 18.560 20.486 -6.586 746 HA HIS 97 HA HIS 97 19.602 21.428 -9.087 747 HB2 HIS 97 2HB HIS 97 19.033 22.984 -6.523 748 HB3 HIS 97 1HB HIS 97 19.363 23.698 -8.097 749 HD1 HIS 97 HD1 HIS 97 16.637 23.509 -6.089 750 HD2 HIS 97 HD2 HIS 97 17.226 22.159 -9.972 751 HE1 HIS 97 HE1 HIS 97 14.342 23.333 -7.096 752 HE2 HIS 97 HE2 HIS 97 14.721 22.333 -9.367 753 H HIS 98 H HIS 98 21.517 22.809 -9.307 754 HA HIS 98 HA HIS 98 23.869 21.600 -8.302 755 HB2 HIS 98 2HB HIS 98 23.533 24.309 -9.670 756 HB3 HIS 98 1HB HIS 98 25.079 23.511 -9.395 757 HD1 HIS 98 HD1 HIS 98 25.721 21.595 -10.961 758 HD2 HIS 98 HD2 HIS 98 21.937 23.138 -11.715 759 HE1 HIS 98 HE1 HIS 98 25.034 20.626 -13.167 760 HE2 HIS 98 HE2 HIS 98 22.750 21.582 -13.616 761 H HIS 99 H HIS 99 22.167 24.581 -7.415 762 HA HIS 99 HA HIS 99 24.039 25.283 -5.286 763 HB2 HIS 99 2HB HIS 99 21.414 26.555 -6.189 764 HB3 HIS 99 1HB HIS 99 22.429 27.194 -4.902 765 HD1 HIS 99 HD1 HIS 99 24.030 28.937 -5.627 766 HD2 HIS 99 HD2 HIS 99 22.942 26.460 -8.779 767 HE1 HIS 99 HE1 HIS 99 25.119 29.918 -7.660 768 HE2 HIS 99 HE2 HIS 99 24.635 28.276 -9.497 769 H HIS 100 H HIS 100 23.886 24.395 -3.318 770 HA HIS 100 HA HIS 100 21.583 22.925 -2.396 771 HB2 HIS 100 2HB HIS 100 23.849 22.198 -1.731 772 HB3 HIS 100 1HB HIS 100 24.138 23.732 -0.915 773 HD1 HIS 100 HD1 HIS 100 24.393 22.868 1.437 774 HD2 HIS 100 HD2 HIS 100 20.886 21.544 -0.361 775 HE1 HIS 100 HE1 HIS 100 23.071 21.770 3.266 776 HE2 HIS 100 HE2 HIS 100 20.994 20.900 2.138 777 H HIS 101 H HIS 101 19.825 24.139 -2.055 778 HA HIS 101 HA HIS 101 19.908 26.715 -0.670 779 HB2 HIS 101 2HB HIS 101 18.506 26.329 -2.753 780 HB3 HIS 101 1HB HIS 101 17.500 25.227 -1.827 781 HD1 HIS 101 HD1 HIS 101 17.414 28.499 -3.034 782 HD2 HIS 101 HD2 HIS 101 16.507 26.844 0.660 783 HE1 HIS 101 HE1 HIS 101 15.903 30.151 -1.914 784 HE2 HIS 101 HE2 HIS 101 15.520 29.213 0.380 Start of MODEL 9 1 H1 MET 1 1H MET 1 -6.855 15.557 8.040 2 H2 MET 1 2H MET 1 -5.646 14.419 7.707 3 H3 MET 1 3H MET 1 -7.083 14.409 6.819 4 HA MET 1 HA MET 1 -6.586 16.531 5.866 5 HB2 MET 1 2HB MET 1 -4.414 17.616 6.247 6 HB3 MET 1 1HB MET 1 -5.261 17.430 7.775 7 HG2 MET 1 2HG MET 1 -3.820 15.667 8.474 8 HG3 MET 1 1HG MET 1 -3.135 15.478 6.859 9 HE1 MET 1 3HE MET 1 -2.618 18.499 5.954 10 HE2 MET 1 1HE MET 1 -1.456 17.185 5.748 11 HE3 MET 1 2HE MET 1 -0.953 18.704 6.495 12 H THR 2 H THR 2 -4.771 16.854 4.168 13 HA THR 2 HA THR 2 -4.407 14.464 2.689 14 HB THR 2 HB THR 2 -3.042 17.154 2.274 15 HG1 THR 2 HG1 THR 2 -5.575 16.110 1.579 16 HG21 THR 2 3HG2 THR 2 -2.800 16.386 -0.094 17 HG22 THR 2 1HG2 THR 2 -3.469 14.812 0.358 18 HG23 THR 2 2HG2 THR 2 -1.917 15.335 1.014 19 H SER 3 H SER 3 -3.070 12.952 3.205 20 HA SER 3 HA SER 3 -0.293 13.415 3.971 21 HB2 SER 3 2HB SER 3 -0.522 11.706 5.820 22 HB3 SER 3 1HB SER 3 -1.452 13.167 6.135 23 HG SER 3 HG SER 3 -3.302 12.098 5.808 24 H THR 4 H THR 4 0.855 11.160 3.943 25 HA THR 4 HA THR 4 0.469 9.955 1.409 26 HB THR 4 HB THR 4 2.025 8.783 3.766 27 HG1 THR 4 HG1 THR 4 3.557 10.215 3.296 28 HG21 THR 4 3HG2 THR 4 2.317 8.403 0.752 29 HG22 THR 4 1HG2 THR 4 1.708 7.196 1.889 30 HG23 THR 4 2HG2 THR 4 3.388 7.721 1.980 31 H PHE 5 H PHE 5 -0.589 9.037 4.685 32 HA PHE 5 HA PHE 5 -1.711 6.506 3.990 33 HB2 PHE 5 2HB PHE 5 -1.294 6.900 6.338 34 HB3 PHE 5 1HB PHE 5 -2.313 8.338 6.354 35 HD1 PHE 5 HD1 PHE 5 -2.540 4.641 5.605 36 HD2 PHE 5 HD2 PHE 5 -4.553 8.107 7.120 37 HE1 PHE 5 HE1 PHE 5 -4.519 3.286 6.128 38 HE2 PHE 5 HE2 PHE 5 -6.519 6.724 7.649 39 HZ PHE 5 HZ PHE 5 -6.504 4.316 7.147 40 H ASP 6 H ASP 6 -3.071 9.775 4.239 41 HA ASP 6 HA ASP 6 -5.767 9.322 3.768 42 HB2 ASP 6 2HB ASP 6 -5.064 11.535 4.351 43 HB3 ASP 6 1HB ASP 6 -3.934 11.615 3.013 44 H ARG 7 H ARG 7 -3.161 9.778 1.407 45 HA ARG 7 HA ARG 7 -4.843 9.648 -0.892 46 HB2 ARG 7 2HB ARG 7 -1.820 9.457 -0.617 47 HB3 ARG 7 1HB ARG 7 -2.667 9.542 -2.163 48 HG2 ARG 7 2HG ARG 7 -2.705 11.671 0.009 49 HG3 ARG 7 1HG ARG 7 -1.796 11.742 -1.506 50 HD2 ARG 7 2HD ARG 7 -3.949 11.672 -2.766 51 HD3 ARG 7 1HD ARG 7 -4.825 11.654 -1.237 52 HE ARG 7 HE ARG 7 -4.218 13.890 -0.851 53 HH11 ARG 7 1HH1 ARG 7 -2.980 12.810 -3.963 54 HH12 ARG 7 2HH1 ARG 7 -2.850 14.417 -4.597 55 HH21 ARG 7 1HH2 ARG 7 -4.099 15.987 -1.722 56 HH22 ARG 7 2HH2 ARG 7 -3.490 16.215 -3.326 57 H VAL 8 H VAL 8 -2.647 7.239 0.640 58 HA VAL 8 HA VAL 8 -3.081 5.126 -1.184 59 HB VAL 8 HB VAL 8 -2.379 4.990 1.793 60 HG11 VAL 8 1HG1 VAL 8 -2.185 2.781 -0.299 61 HG12 VAL 8 2HG1 VAL 8 -3.296 2.817 1.072 62 HG13 VAL 8 3HG1 VAL 8 -1.558 2.681 1.346 63 HG21 VAL 8 3HG2 VAL 8 -0.714 6.207 0.434 64 HG22 VAL 8 1HG2 VAL 8 -0.581 4.824 -0.655 65 HG23 VAL 8 2HG2 VAL 8 -0.049 4.683 1.024 66 H ALA 9 H ALA 9 -4.827 6.106 1.706 67 HA ALA 9 HA ALA 9 -6.565 3.894 2.015 68 HB1 ALA 9 3HB ALA 9 -6.107 5.464 3.862 69 HB2 ALA 9 1HB ALA 9 -7.844 5.357 3.547 70 HB3 ALA 9 2HB ALA 9 -6.925 6.755 2.981 71 H THR 10 H THR 10 -6.886 7.050 0.437 72 HA THR 10 HA THR 10 -9.442 6.946 -0.631 73 HB THR 10 HB THR 10 -6.864 8.219 -1.602 74 HG1 THR 10 HG1 THR 10 -7.957 8.994 0.318 75 HG21 THR 10 3HG2 THR 10 -9.600 8.598 -2.870 76 HG22 THR 10 1HG2 THR 10 -8.151 7.940 -3.644 77 HG23 THR 10 2HG2 THR 10 -8.199 9.636 -3.155 78 H ILE 11 H ILE 11 -6.383 5.784 -1.983 79 HA ILE 11 HA ILE 11 -7.346 4.877 -4.470 80 HB ILE 11 HB ILE 11 -4.865 4.203 -2.843 81 HG12 ILE 11 2HG1 ILE 11 -5.103 5.818 -5.414 82 HG13 ILE 11 1HG1 ILE 11 -5.288 6.550 -3.834 83 HG21 ILE 11 1HG2 ILE 11 -5.446 3.274 -5.672 84 HG22 ILE 11 2HG2 ILE 11 -5.226 2.249 -4.254 85 HG23 ILE 11 3HG2 ILE 11 -3.868 3.184 -4.880 86 HD11 ILE 11 3HD1 ILE 11 -2.819 5.223 -4.917 87 HD12 ILE 11 1HD1 ILE 11 -2.996 5.874 -3.285 88 HD13 ILE 11 2HD1 ILE 11 -3.102 6.948 -4.676 89 H ILE 12 H ILE 12 -6.763 3.105 -1.436 90 HA ILE 12 HA ILE 12 -7.559 0.538 -2.256 91 HB ILE 12 HB ILE 12 -7.501 1.878 0.476 92 HG12 ILE 12 2HG1 ILE 12 -5.660 -0.191 -0.804 93 HG13 ILE 12 1HG1 ILE 12 -5.310 1.528 -0.657 94 HG21 ILE 12 1HG2 ILE 12 -7.726 -0.354 1.531 95 HG22 ILE 12 2HG2 ILE 12 -8.066 -1.061 -0.048 96 HG23 ILE 12 3HG2 ILE 12 -9.182 0.112 0.651 97 HD11 ILE 12 3HD1 ILE 12 -5.611 -0.422 1.626 98 HD12 ILE 12 1HD1 ILE 12 -5.259 1.302 1.779 99 HD13 ILE 12 2HD1 ILE 12 -4.105 0.233 0.985 100 H ALA 13 H ALA 13 -9.372 3.210 -0.804 101 HA ALA 13 HA ALA 13 -11.862 2.031 -0.379 102 HB1 ALA 13 3HB ALA 13 -11.287 4.921 -1.118 103 HB2 ALA 13 1HB ALA 13 -11.213 4.240 0.507 104 HB3 ALA 13 2HB ALA 13 -12.758 4.321 -0.343 105 H GLU 14 H GLU 14 -10.694 3.824 -3.220 106 HA GLU 14 HA GLU 14 -13.042 3.538 -4.797 107 HB2 GLU 14 2HB GLU 14 -10.184 4.145 -5.649 108 HB3 GLU 14 1HB GLU 14 -11.618 4.401 -6.642 109 HG2 GLU 14 2HG GLU 14 -12.413 6.139 -5.180 110 HG3 GLU 14 1HG GLU 14 -11.168 5.779 -3.980 111 H THR 15 H THR 15 -9.975 1.706 -4.645 112 HA THR 15 HA THR 15 -10.325 0.169 -6.996 113 HB THR 15 HB THR 15 -8.604 -0.422 -4.544 114 HG1 THR 15 HG1 THR 15 -7.290 1.002 -5.355 115 HG21 THR 15 3HG2 THR 15 -7.225 -1.819 -6.081 116 HG22 THR 15 1HG2 THR 15 -8.444 -1.614 -7.337 117 HG23 THR 15 2HG2 THR 15 -8.845 -2.485 -5.853 118 H CYS 16 H CYS 16 -10.575 -0.861 -3.574 119 HA CYS 16 HA CYS 16 -11.713 -3.425 -4.383 120 HB2 CYS 16 2HB CYS 16 -9.720 -3.014 -2.735 121 HB3 CYS 16 1HB CYS 16 -10.965 -2.626 -1.555 122 HG CYS 16 HG CYS 16 -9.769 -5.520 -2.381 123 H ASP 17 H ASP 17 -13.002 -0.476 -3.705 124 HA ASP 17 HA ASP 17 -14.856 0.435 -2.882 125 HB2 ASP 17 2HB ASP 17 -15.912 -1.085 -4.540 126 HB3 ASP 17 1HB ASP 17 -16.074 -2.328 -3.305 127 H ILE 18 H ILE 18 -13.805 0.757 -0.874 128 HA ILE 18 HA ILE 18 -15.013 -0.659 1.428 129 HB ILE 18 HB ILE 18 -12.052 0.112 1.288 130 HG12 ILE 18 2HG1 ILE 18 -13.254 -2.696 1.219 131 HG13 ILE 18 1HG1 ILE 18 -12.523 -1.872 -0.154 132 HG21 ILE 18 1HG2 ILE 18 -13.570 -1.376 3.477 133 HG22 ILE 18 2HG2 ILE 18 -12.968 0.282 3.573 134 HG23 ILE 18 3HG2 ILE 18 -11.831 -1.059 3.459 135 HD11 ILE 18 3HD1 ILE 18 -11.023 -3.510 0.800 136 HD12 ILE 18 1HD1 ILE 18 -11.099 -2.710 2.370 137 HD13 ILE 18 2HD1 ILE 18 -10.365 -1.887 0.990 138 HA PRO 19 HA PRO 19 -15.665 3.758 2.596 139 HB2 PRO 19 2HB PRO 19 -16.535 3.317 5.188 140 HB3 PRO 19 1HB PRO 19 -17.572 3.144 3.769 141 HG2 PRO 19 2HG PRO 19 -16.105 1.018 5.321 142 HG3 PRO 19 1HG PRO 19 -17.774 1.001 4.708 143 HD2 PRO 19 2HD PRO 19 -15.776 -0.287 3.415 144 HD3 PRO 19 1HD PRO 19 -17.102 0.495 2.527 145 H ARG 20 H ARG 20 -14.211 5.237 3.419 146 HA ARG 20 HA ARG 20 -11.726 4.316 4.519 147 HB2 ARG 20 2HB ARG 20 -12.714 7.169 4.144 148 HB3 ARG 20 1HB ARG 20 -11.075 6.713 4.603 149 HG2 ARG 20 2HG ARG 20 -11.228 5.276 2.345 150 HG3 ARG 20 1HG ARG 20 -12.446 6.491 1.943 151 HD2 ARG 20 2HD ARG 20 -9.527 6.949 2.625 152 HD3 ARG 20 1HD ARG 20 -10.312 7.189 1.065 153 HE ARG 20 HE ARG 20 -11.681 8.902 2.573 154 HH11 ARG 20 1HH1 ARG 20 -8.221 8.346 2.513 155 HH12 ARG 20 2HH1 ARG 20 -7.823 10.004 2.810 156 HH21 ARG 20 1HH2 ARG 20 -11.127 11.099 2.978 157 HH22 ARG 20 2HH2 ARG 20 -9.453 11.561 3.040 158 H GLU 21 H GLU 21 -14.662 5.510 5.911 159 HA GLU 21 HA GLU 21 -13.723 6.210 8.487 160 HB2 GLU 21 2HB GLU 21 -16.091 5.937 9.194 161 HB3 GLU 21 1HB GLU 21 -15.937 6.870 7.707 162 HG2 GLU 21 2HG GLU 21 -16.549 4.847 6.396 163 HG3 GLU 21 1HG GLU 21 -16.767 3.953 7.904 164 H THR 22 H THR 22 -13.993 3.114 6.969 165 HA THR 22 HA THR 22 -13.573 1.717 9.551 166 HB THR 22 HB THR 22 -14.048 -0.378 8.394 167 HG1 THR 22 HG1 THR 22 -14.488 1.075 5.997 168 HG21 THR 22 3HG2 THR 22 -16.033 0.887 9.165 169 HG22 THR 22 1HG2 THR 22 -16.396 -0.044 7.711 170 HG23 THR 22 2HG2 THR 22 -16.126 1.697 7.599 171 H ILE 23 H ILE 23 -11.932 2.859 6.707 172 HA ILE 23 HA ILE 23 -9.657 1.068 6.827 173 HB ILE 23 HB ILE 23 -10.103 3.702 5.335 174 HG12 ILE 23 2HG1 ILE 23 -9.984 0.854 4.256 175 HG13 ILE 23 1HG1 ILE 23 -11.467 1.766 4.513 176 HG21 ILE 23 1HG2 ILE 23 -8.035 3.241 4.081 177 HG22 ILE 23 2HG2 ILE 23 -7.733 1.828 5.087 178 HG23 ILE 23 3HG2 ILE 23 -7.704 3.439 5.804 179 HD11 ILE 23 3HD1 ILE 23 -10.857 1.758 2.178 180 HD12 ILE 23 1HD1 ILE 23 -9.273 2.438 2.546 181 HD13 ILE 23 2HD1 ILE 23 -10.731 3.400 2.813 182 H THR 24 H THR 24 -8.499 1.189 8.654 183 HA THR 24 HA THR 24 -7.645 3.810 9.760 184 HB THR 24 HB THR 24 -7.170 2.550 11.877 185 HG1 THR 24 HG1 THR 24 -8.451 0.365 11.759 186 HG21 THR 24 3HG2 THR 24 -9.508 2.185 12.576 187 HG22 THR 24 1HG2 THR 24 -10.019 2.203 10.885 188 HG23 THR 24 2HG2 THR 24 -9.357 3.663 11.625 189 HA PRO 25 HA PRO 25 -3.411 2.737 8.586 190 HB2 PRO 25 2HB PRO 25 -1.976 3.833 10.691 191 HB3 PRO 25 1HB PRO 25 -2.666 4.791 9.374 192 HG2 PRO 25 2HG PRO 25 -3.773 4.283 12.135 193 HG3 PRO 25 1HG PRO 25 -3.679 5.810 11.230 194 HD2 PRO 25 2HD PRO 25 -5.970 4.405 11.358 195 HD3 PRO 25 1HD PRO 25 -5.506 5.276 9.878 196 H GLU 26 H GLU 26 -4.801 1.788 11.632 197 HA GLU 26 HA GLU 26 -2.759 -0.116 12.406 198 HB2 GLU 26 2HB GLU 26 -5.568 0.270 13.522 199 HB3 GLU 26 1HB GLU 26 -4.256 -0.624 14.284 200 HG2 GLU 26 2HG GLU 26 -4.411 2.368 13.827 201 HG3 GLU 26 1HG GLU 26 -4.510 1.521 15.369 202 H SER 27 H SER 27 -5.512 -0.124 10.358 203 HA SER 27 HA SER 27 -6.157 -2.926 10.407 204 HB2 SER 27 2HB SER 27 -7.835 -1.299 9.685 205 HB3 SER 27 1HB SER 27 -6.790 -0.719 8.392 206 HG SER 27 HG SER 27 -8.589 -2.555 8.195 207 H HIS 28 H HIS 28 -5.608 -4.490 8.881 208 HA HIS 28 HA HIS 28 -3.251 -4.039 7.163 209 HB2 HIS 28 2HB HIS 28 -3.164 -5.801 8.965 210 HB3 HIS 28 1HB HIS 28 -4.489 -6.637 8.179 211 HD2 HIS 28 HD2 HIS 28 -0.756 -6.743 8.278 212 HE1 HIS 28 HE1 HIS 28 -1.886 -8.720 4.747 213 HE2 HIS 28 HE2 HIS 28 -0.141 -8.533 6.546 214 H ALA 29 H ALA 29 -3.484 -4.204 4.971 215 HA ALA 29 HA ALA 29 -5.822 -4.115 3.562 216 HB1 ALA 29 3HB ALA 29 -4.508 -4.630 1.553 217 HB2 ALA 29 1HB ALA 29 -3.205 -5.282 2.551 218 HB3 ALA 29 2HB ALA 29 -3.598 -3.562 2.625 219 H ILE 30 H ILE 30 -3.878 -7.113 4.037 220 HA ILE 30 HA ILE 30 -5.820 -8.721 2.613 221 HB ILE 30 HB ILE 30 -3.422 -9.666 4.251 222 HG12 ILE 30 2HG1 ILE 30 -3.632 -9.146 1.244 223 HG13 ILE 30 1HG1 ILE 30 -2.740 -8.149 2.391 224 HG21 ILE 30 1HG2 ILE 30 -5.030 -11.169 2.156 225 HG22 ILE 30 2HG2 ILE 30 -5.061 -11.469 3.897 226 HG23 ILE 30 3HG2 ILE 30 -3.585 -11.767 2.980 227 HD11 ILE 30 3HD1 ILE 30 -1.226 -9.551 1.151 228 HD12 ILE 30 1HD1 ILE 30 -2.115 -11.000 1.620 229 HD13 ILE 30 2HD1 ILE 30 -1.243 -10.066 2.838 230 H ASP 31 H ASP 31 -4.752 -8.541 6.057 231 HA ASP 31 HA ASP 31 -6.422 -10.656 6.967 232 HB2 ASP 31 2HB ASP 31 -4.996 -8.455 8.510 233 HB3 ASP 31 1HB ASP 31 -5.878 -9.760 9.296 234 H ASP 32 H ASP 32 -6.799 -7.105 7.321 235 HA ASP 32 HA ASP 32 -9.408 -7.454 8.609 236 HB2 ASP 32 2HB ASP 32 -7.754 -4.950 8.072 237 HB3 ASP 32 1HB ASP 32 -9.311 -4.947 8.899 238 H LEU 33 H LEU 33 -8.148 -5.535 5.848 239 HA LEU 33 HA LEU 33 -10.737 -4.739 4.964 240 HB2 LEU 33 2HB LEU 33 -8.094 -4.671 3.478 241 HB3 LEU 33 1HB LEU 33 -9.558 -3.844 2.973 242 HG LEU 33 HG LEU 33 -7.933 -3.238 5.478 243 HD11 LEU 33 1HD1 LEU 33 -7.420 -1.109 4.342 244 HD12 LEU 33 2HD1 LEU 33 -8.261 -1.674 2.899 245 HD13 LEU 33 3HD1 LEU 33 -6.805 -2.504 3.457 246 HD21 LEU 33 3HD2 LEU 33 -10.457 -1.874 4.453 247 HD22 LEU 33 1HD2 LEU 33 -9.445 -1.297 5.784 248 HD23 LEU 33 2HD2 LEU 33 -10.296 -2.827 5.930 249 H GLY 34 H GLY 34 -8.835 -7.584 4.314 250 HA2 GLY 34 2HA GLY 34 -9.525 -9.581 3.365 251 HA3 GLY 34 1HA GLY 34 -11.040 -8.830 2.893 252 H ILE 35 H ILE 35 -8.056 -7.346 2.020 253 HA ILE 35 HA ILE 35 -8.593 -7.563 -0.811 254 HB ILE 35 HB ILE 35 -6.298 -6.237 0.709 255 HG12 ILE 35 2HG1 ILE 35 -8.749 -4.957 -0.587 256 HG13 ILE 35 1HG1 ILE 35 -8.589 -5.267 1.140 257 HG21 ILE 35 1HG2 ILE 35 -7.022 -5.948 -2.235 258 HG22 ILE 35 2HG2 ILE 35 -5.596 -6.777 -1.605 259 HG23 ILE 35 3HG2 ILE 35 -5.772 -5.036 -1.387 260 HD11 ILE 35 3HD1 ILE 35 -8.146 -2.958 0.636 261 HD12 ILE 35 1HD1 ILE 35 -6.880 -3.403 -0.502 262 HD13 ILE 35 2HD1 ILE 35 -6.676 -3.733 1.219 263 H ASP 36 H ASP 36 -7.686 -9.000 -2.156 264 HA ASP 36 HA ASP 36 -5.654 -10.895 -1.235 265 HB2 ASP 36 2HB ASP 36 -7.094 -10.761 -3.928 266 HB3 ASP 36 1HB ASP 36 -6.114 -12.095 -3.332 267 H SER 37 H SER 37 -3.719 -11.269 -2.572 268 HA SER 37 HA SER 37 -2.258 -9.011 -3.256 269 HB2 SER 37 2HB SER 37 -1.850 -11.888 -4.154 270 HB3 SER 37 1HB SER 37 -0.628 -10.617 -4.220 271 HG SER 37 HG SER 37 -1.902 -11.152 -1.774 272 H LEU 38 H LEU 38 -4.635 -10.671 -5.161 273 HA LEU 38 HA LEU 38 -3.705 -9.894 -7.771 274 HB2 LEU 38 2HB LEU 38 -6.423 -10.895 -6.836 275 HB3 LEU 38 1HB LEU 38 -5.954 -10.703 -8.520 276 HG LEU 38 HG LEU 38 -4.709 -12.659 -6.538 277 HD11 LEU 38 1HD1 LEU 38 -6.509 -13.189 -8.925 278 HD12 LEU 38 2HD1 LEU 38 -6.947 -13.348 -7.223 279 HD13 LEU 38 3HD1 LEU 38 -5.735 -14.418 -7.918 280 HD21 LEU 38 3HD2 LEU 38 -3.426 -13.538 -8.453 281 HD22 LEU 38 1HD2 LEU 38 -3.016 -11.856 -8.119 282 HD23 LEU 38 2HD2 LEU 38 -4.066 -12.254 -9.482 283 H ASP 39 H ASP 39 -6.181 -8.707 -5.509 284 HA ASP 39 HA ASP 39 -7.015 -6.464 -7.118 285 HB2 ASP 39 2HB ASP 39 -8.503 -7.445 -5.378 286 HB3 ASP 39 1HB ASP 39 -7.360 -6.977 -4.125 287 H PHE 40 H PHE 40 -4.596 -7.045 -4.655 288 HA PHE 40 HA PHE 40 -3.936 -4.342 -4.098 289 HB2 PHE 40 2HB PHE 40 -3.370 -6.500 -2.714 290 HB3 PHE 40 1HB PHE 40 -1.947 -6.606 -3.743 291 HD1 PHE 40 HD1 PHE 40 -0.147 -4.919 -3.560 292 HD2 PHE 40 HD2 PHE 40 -3.613 -4.685 -1.080 293 HE1 PHE 40 HE1 PHE 40 0.994 -3.270 -2.127 294 HE2 PHE 40 HE2 PHE 40 -2.474 -3.035 0.344 295 HZ PHE 40 HZ PHE 40 -0.179 -2.325 -0.178 296 H LEU 41 H LEU 41 -3.067 -6.503 -6.716 297 HA LEU 41 HA LEU 41 -0.826 -5.159 -7.806 298 HB2 LEU 41 2HB LEU 41 -3.108 -6.605 -9.218 299 HB3 LEU 41 1HB LEU 41 -1.659 -6.043 -10.036 300 HG LEU 41 HG LEU 41 -1.724 -8.160 -7.849 301 HD11 LEU 41 1HD1 LEU 41 -1.333 -8.513 -10.839 302 HD12 LEU 41 2HD1 LEU 41 -2.762 -8.975 -9.911 303 HD13 LEU 41 3HD1 LEU 41 -1.227 -9.784 -9.615 304 HD21 LEU 41 3HD2 LEU 41 0.644 -8.558 -8.440 305 HD22 LEU 41 1HD2 LEU 41 0.387 -6.930 -7.824 306 HD23 LEU 41 2HD2 LEU 41 0.597 -7.189 -9.554 307 H ASP 42 H ASP 42 -4.306 -4.606 -8.098 308 HA ASP 42 HA ASP 42 -4.211 -2.442 -9.966 309 HB2 ASP 42 2HB ASP 42 -6.150 -4.071 -9.545 310 HB3 ASP 42 1HB ASP 42 -6.503 -3.156 -8.088 311 H ILE 43 H ILE 43 -4.353 -2.692 -6.422 312 HA ILE 43 HA ILE 43 -4.714 0.065 -5.805 313 HB ILE 43 HB ILE 43 -3.334 -2.112 -4.159 314 HG12 ILE 43 2HG1 ILE 43 -6.220 -1.113 -4.088 315 HG13 ILE 43 1HG1 ILE 43 -5.685 -2.678 -4.692 316 HG21 ILE 43 1HG2 ILE 43 -3.736 -0.685 -2.176 317 HG22 ILE 43 2HG2 ILE 43 -4.382 0.587 -3.214 318 HG23 ILE 43 3HG2 ILE 43 -2.687 0.121 -3.343 319 HD11 ILE 43 3HD1 ILE 43 -4.949 -3.269 -2.417 320 HD12 ILE 43 1HD1 ILE 43 -6.672 -2.903 -2.514 321 HD13 ILE 43 2HD1 ILE 43 -5.557 -1.715 -1.841 322 H ALA 44 H ALA 44 -1.845 -1.981 -6.131 323 HA ALA 44 HA ALA 44 0.128 -0.070 -5.421 324 HB1 ALA 44 3HB ALA 44 0.442 -2.598 -7.087 325 HB2 ALA 44 1HB ALA 44 0.529 -2.502 -5.324 326 HB3 ALA 44 2HB ALA 44 1.749 -1.694 -6.312 327 H PHE 45 H PHE 45 -1.310 -1.017 -8.497 328 HA PHE 45 HA PHE 45 0.404 0.424 -10.227 329 HB2 PHE 45 2HB PHE 45 -1.049 -1.418 -11.015 330 HB3 PHE 45 1HB PHE 45 -2.479 -0.438 -10.703 331 HD1 PHE 45 HD2 PHE 45 0.787 -0.109 -12.552 332 HD2 PHE 45 HD1 PHE 45 -3.434 0.581 -12.609 333 HE1 PHE 45 HE2 PHE 45 0.965 0.821 -14.818 334 HE2 PHE 45 HE1 PHE 45 -3.241 1.516 -14.874 335 HZ PHE 45 HZ PHE 45 -1.044 1.636 -15.987 336 H ALA 46 H ALA 46 -2.647 1.279 -8.659 337 HA ALA 46 HA ALA 46 -2.959 3.851 -9.869 338 HB1 ALA 46 3HB ALA 46 -4.627 4.239 -8.093 339 HB2 ALA 46 1HB ALA 46 -4.093 2.766 -7.272 340 HB3 ALA 46 2HB ALA 46 -4.846 2.669 -8.864 341 H ILE 47 H ILE 47 -1.372 2.666 -6.951 342 HA ILE 47 HA ILE 47 -0.708 5.129 -5.725 343 HB ILE 47 HB ILE 47 0.443 2.320 -5.517 344 HG12 ILE 47 2HG1 ILE 47 -1.103 4.020 -3.506 345 HG13 ILE 47 1HG1 ILE 47 -1.842 2.828 -4.565 346 HG21 ILE 47 1HG2 ILE 47 1.786 3.027 -3.552 347 HG22 ILE 47 2HG2 ILE 47 1.402 4.709 -3.905 348 HG23 ILE 47 3HG2 ILE 47 2.359 3.766 -5.049 349 HD11 ILE 47 3HD1 ILE 47 -1.541 2.032 -2.278 350 HD12 ILE 47 1HD1 ILE 47 0.203 2.217 -2.438 351 HD13 ILE 47 2HD1 ILE 47 -0.656 1.052 -3.446 352 H ASP 48 H ASP 48 1.010 3.119 -8.106 353 HA ASP 48 HA ASP 48 3.378 4.569 -8.442 354 HB2 ASP 48 2HB ASP 48 1.749 3.103 -10.571 355 HB3 ASP 48 1HB ASP 48 3.404 3.656 -10.796 356 H LYS 49 H LYS 49 0.194 5.060 -9.896 357 HA LYS 49 HA LYS 49 1.012 7.219 -11.631 358 HB2 LYS 49 2HB LYS 49 -1.742 6.085 -10.996 359 HB3 LYS 49 1HB LYS 49 -1.405 7.253 -12.272 360 HG2 LYS 49 2HG LYS 49 0.016 5.606 -13.418 361 HG3 LYS 49 1HG LYS 49 -0.274 4.444 -12.127 362 HD2 LYS 49 2HD LYS 49 -1.692 3.829 -13.956 363 HD3 LYS 49 1HD LYS 49 -2.731 4.511 -12.712 364 HE2 LYS 49 2HE LYS 49 -1.742 6.126 -15.088 365 HE3 LYS 49 1HE LYS 49 -3.234 5.192 -15.127 366 HZ1 LYS 49 3HZ LYS 49 -4.060 6.533 -13.286 367 HZ2 LYS 49 1HZ LYS 49 -3.665 7.490 -14.620 368 HZ3 LYS 49 2HZ LYS 49 -2.638 7.442 -13.284 369 H ALA 50 H ALA 50 -0.315 6.946 -8.439 370 HA ALA 50 HA ALA 50 -1.600 9.548 -8.302 371 HB1 ALA 50 3HB ALA 50 -2.464 7.631 -6.996 372 HB2 ALA 50 1HB ALA 50 -2.007 8.965 -5.938 373 HB3 ALA 50 2HB ALA 50 -0.953 7.556 -6.086 374 H PHE 51 H PHE 51 1.127 8.012 -6.632 375 HA PHE 51 HA PHE 51 2.089 10.512 -5.537 376 HB2 PHE 51 2HB PHE 51 3.190 7.674 -5.359 377 HB3 PHE 51 1HB PHE 51 3.816 9.051 -4.461 378 HD1 PHE 51 HD2 PHE 51 2.522 10.041 -2.591 379 HD2 PHE 51 HD1 PHE 51 1.050 6.633 -4.709 380 HE1 PHE 51 HE2 PHE 51 0.896 9.617 -0.799 381 HE2 PHE 51 HE1 PHE 51 -0.575 6.223 -2.915 382 HZ PHE 51 HZ PHE 51 -0.652 7.710 -0.957 383 H GLY 52 H GLY 52 2.792 8.463 -8.265 384 HA2 GLY 52 2HA GLY 52 4.170 8.814 -10.091 385 HA3 GLY 52 1HA GLY 52 4.766 10.298 -9.349 386 H ILE 53 H ILE 53 4.708 6.916 -8.293 387 HA ILE 53 HA ILE 53 7.655 6.885 -7.905 388 HB ILE 53 HB ILE 53 7.313 5.584 -5.803 389 HG12 ILE 53 2HG1 ILE 53 4.339 6.243 -6.115 390 HG13 ILE 53 1HG1 ILE 53 5.044 4.654 -6.387 391 HG21 ILE 53 1HG2 ILE 53 5.917 8.277 -5.719 392 HG22 ILE 53 2HG2 ILE 53 7.656 8.005 -5.601 393 HG23 ILE 53 3HG2 ILE 53 6.585 7.424 -4.324 394 HD11 ILE 53 3HD1 ILE 53 4.974 6.137 -3.772 395 HD12 ILE 53 1HD1 ILE 53 5.694 4.549 -4.039 396 HD13 ILE 53 2HD1 ILE 53 3.961 4.776 -4.242 397 H LYS 54 H LYS 54 8.259 4.461 -7.314 398 HA LYS 54 HA LYS 54 6.529 2.516 -8.706 399 HB2 LYS 54 2HB LYS 54 8.744 2.678 -9.825 400 HB3 LYS 54 1HB LYS 54 9.561 2.365 -8.295 401 HG2 LYS 54 2HG LYS 54 8.400 0.133 -8.206 402 HG3 LYS 54 1HG LYS 54 7.747 0.455 -9.813 403 HD2 LYS 54 2HD LYS 54 10.032 0.509 -10.740 404 HD3 LYS 54 1HD LYS 54 10.706 0.253 -9.124 405 HE2 LYS 54 2HE LYS 54 9.542 -1.936 -9.001 406 HE3 LYS 54 1HE LYS 54 8.908 -1.683 -10.629 407 HZ1 LYS 54 3HZ LYS 54 11.772 -1.910 -9.898 408 HZ2 LYS 54 1HZ LYS 54 11.168 -1.678 -11.464 409 HZ3 LYS 54 2HZ LYS 54 10.833 -3.113 -10.628 410 H LEU 55 H LEU 55 5.312 1.808 -7.013 411 HA LEU 55 HA LEU 55 6.422 0.880 -4.517 412 HB2 LEU 55 2HB LEU 55 4.044 1.647 -4.818 413 HB3 LEU 55 1HB LEU 55 3.739 0.265 -5.850 414 HG LEU 55 HG LEU 55 4.594 -0.095 -2.951 415 HD11 LEU 55 1HD1 LEU 55 2.233 -0.294 -2.304 416 HD12 LEU 55 2HD1 LEU 55 1.739 0.195 -3.929 417 HD13 LEU 55 3HD1 LEU 55 2.616 1.323 -2.892 418 HD21 LEU 55 3HD2 LEU 55 3.438 -2.272 -3.118 419 HD22 LEU 55 1HD2 LEU 55 4.724 -2.133 -4.313 420 HD23 LEU 55 2HD2 LEU 55 3.042 -1.942 -4.807 421 HA PRO 56 HA PRO 56 7.812 -2.770 -6.940 422 HB2 PRO 56 2HB PRO 56 9.896 -3.547 -5.419 423 HB3 PRO 56 1HB PRO 56 9.984 -2.068 -6.391 424 HG2 PRO 56 2HG PRO 56 9.497 -2.376 -3.437 425 HG3 PRO 56 1HG PRO 56 10.476 -1.164 -4.290 426 HD2 PRO 56 2HD PRO 56 7.843 -0.778 -3.379 427 HD3 PRO 56 1HD PRO 56 8.649 0.221 -4.609 428 H LEU 57 H LEU 57 5.668 -3.610 -6.349 429 HA LEU 57 HA LEU 57 5.272 -5.167 -3.993 430 HB2 LEU 57 2HB LEU 57 3.423 -4.176 -5.419 431 HB3 LEU 57 1HB LEU 57 3.772 -5.391 -6.634 432 HG LEU 57 HG LEU 57 3.123 -7.194 -5.067 433 HD11 LEU 57 1HD1 LEU 57 3.779 -6.189 -2.937 434 HD12 LEU 57 2HD1 LEU 57 2.089 -6.681 -2.885 435 HD13 LEU 57 3HD1 LEU 57 2.500 -4.975 -3.081 436 HD21 LEU 57 3HD2 LEU 57 0.988 -5.036 -5.285 437 HD22 LEU 57 1HD2 LEU 57 0.710 -6.756 -4.992 438 HD23 LEU 57 2HD2 LEU 57 1.397 -6.226 -6.522 439 H GLU 58 H GLU 58 6.707 -5.731 -7.110 440 HA GLU 58 HA GLU 58 6.916 -8.504 -7.235 441 HB2 GLU 58 2HB GLU 58 8.969 -8.111 -8.585 442 HB3 GLU 58 1HB GLU 58 7.620 -7.107 -9.097 443 HG2 GLU 58 2HG GLU 58 8.573 -5.161 -7.966 444 HG3 GLU 58 1HG GLU 58 9.893 -6.141 -7.331 445 H LYS 59 H LYS 59 8.865 -6.175 -5.401 446 HA LYS 59 HA LYS 59 10.691 -8.111 -4.314 447 HB2 LYS 59 2HB LYS 59 11.452 -5.810 -4.426 448 HB3 LYS 59 1HB LYS 59 10.047 -5.235 -3.527 449 HG2 LYS 59 2HG LYS 59 10.859 -6.368 -1.493 450 HG3 LYS 59 1HG LYS 59 12.223 -7.033 -2.392 451 HD2 LYS 59 2HD LYS 59 13.183 -4.826 -2.694 452 HD3 LYS 59 1HD LYS 59 11.740 -4.062 -2.018 453 HE2 LYS 59 2HE LYS 59 13.591 -4.110 -0.386 454 HE3 LYS 59 1HE LYS 59 12.207 -5.045 0.177 455 HZ1 LYS 59 3HZ LYS 59 14.282 -6.198 0.593 456 HZ2 LYS 59 1HZ LYS 59 14.671 -6.160 -1.050 457 HZ3 LYS 59 2HZ LYS 59 13.353 -7.072 -0.519 458 H TRP 60 H TRP 60 7.840 -6.353 -3.083 459 HA TRP 60 HA TRP 60 8.049 -7.151 -0.397 460 HB2 TRP 60 2HB TRP 60 5.611 -6.171 -1.945 461 HB3 TRP 60 1HB TRP 60 5.692 -6.303 -0.188 462 HD1 TRP 60 HD1 TRP 60 8.980 -4.979 -1.278 463 HE1 TRP 60 HE1 TRP 60 9.056 -2.424 -1.039 464 HE3 TRP 60 HE3 TRP 60 4.008 -4.080 -0.597 465 HZ2 TRP 60 HZ2 TRP 60 7.276 -0.314 -0.618 466 HZ3 TRP 60 HZ3 TRP 60 3.275 -1.763 -0.271 467 HH2 TRP 60 HH2 TRP 60 4.873 0.091 -0.277 468 H THR 61 H THR 61 5.818 -8.364 -2.925 469 HA THR 61 HA THR 61 4.731 -10.569 -1.746 470 HB THR 61 HB THR 61 5.700 -10.377 -4.650 471 HG1 THR 61 HG1 THR 61 4.122 -8.989 -4.886 472 HG21 THR 61 3HG2 THR 61 4.996 -12.681 -4.060 473 HG22 THR 61 1HG2 THR 61 3.815 -11.929 -5.140 474 HG23 THR 61 2HG2 THR 61 3.476 -12.065 -3.414 475 H GLN 62 H GLN 62 7.864 -10.409 -3.449 476 HA GLN 62 HA GLN 62 8.558 -13.135 -3.293 477 HB2 GLN 62 2HB GLN 62 9.607 -11.325 -4.807 478 HB3 GLN 62 1HB GLN 62 10.566 -10.841 -3.419 479 HG2 GLN 62 2HG GLN 62 11.933 -12.254 -4.783 480 HG3 GLN 62 1HG GLN 62 11.512 -13.181 -3.342 481 HE21 GLN 62 1HE2 GLN 62 10.022 -14.928 -3.553 482 HE22 GLN 62 2HE2 GLN 62 9.657 -15.628 -5.091 483 H GLU 63 H GLU 63 9.078 -10.444 -1.092 484 HA GLU 63 HA GLU 63 10.858 -11.593 0.748 485 HB2 GLU 63 2HB GLU 63 8.682 -9.533 1.289 486 HB3 GLU 63 1HB GLU 63 10.029 -9.890 2.361 487 HG2 GLU 63 2HG GLU 63 10.192 -8.638 -0.389 488 HG3 GLU 63 1HG GLU 63 10.407 -7.819 1.151 489 H VAL 64 H VAL 64 7.293 -11.680 0.555 490 HA VAL 64 HA VAL 64 6.910 -13.108 2.994 491 HB VAL 64 HB VAL 64 5.032 -12.822 0.601 492 HG11 VAL 64 1HG1 VAL 64 3.201 -13.369 2.204 493 HG12 VAL 64 2HG1 VAL 64 4.402 -13.677 3.461 494 HG13 VAL 64 3HG1 VAL 64 4.344 -14.704 2.029 495 HG21 VAL 64 3HG2 VAL 64 5.211 -11.143 3.140 496 HG22 VAL 64 1HG2 VAL 64 3.996 -10.954 1.873 497 HG23 VAL 64 2HG2 VAL 64 5.695 -10.630 1.522 498 H ASN 65 H ASN 65 6.949 -14.019 -0.441 499 HA ASN 65 HA ASN 65 6.487 -16.731 -0.417 500 HB2 ASN 65 2HB ASN 65 8.325 -15.095 -2.225 501 HB3 ASN 65 1HB ASN 65 8.019 -16.804 -2.509 502 HD21 ASN 65 1HD2 ASN 65 7.146 -16.274 -4.545 503 HD22 ASN 65 2HD2 ASN 65 5.555 -15.624 -4.699 504 H ASP 66 H ASP 66 9.591 -15.100 0.155 505 HA ASP 66 HA ASP 66 10.949 -17.682 0.639 506 HB2 ASP 66 2HB ASP 66 12.038 -14.894 0.086 507 HB3 ASP 66 1HB ASP 66 13.064 -16.255 0.552 508 H GLY 67 H GLY 67 9.319 -15.516 2.505 509 HA2 GLY 67 2HA GLY 67 9.167 -15.263 4.778 510 HA3 GLY 67 1HA GLY 67 10.384 -16.517 4.962 511 H LYS 68 H LYS 68 11.225 -13.811 3.016 512 HA LYS 68 HA LYS 68 13.314 -12.915 4.772 513 HB2 LYS 68 2HB LYS 68 12.323 -11.652 2.180 514 HB3 LYS 68 1HB LYS 68 13.854 -11.327 2.980 515 HG2 LYS 68 2HG LYS 68 13.013 -13.902 1.620 516 HG3 LYS 68 1HG LYS 68 14.248 -12.761 1.073 517 HD2 LYS 68 2HD LYS 68 14.362 -14.504 3.575 518 HD3 LYS 68 1HD LYS 68 15.274 -14.767 2.089 519 HE2 LYS 68 2HE LYS 68 16.580 -12.751 2.460 520 HE3 LYS 68 1HE LYS 68 15.561 -12.285 3.821 521 HZ1 LYS 68 3HZ LYS 68 17.609 -13.234 4.573 522 HZ2 LYS 68 1HZ LYS 68 17.320 -14.658 3.710 523 HZ3 LYS 68 2HZ LYS 68 16.317 -14.237 5.006 524 H ALA 69 H ALA 69 10.039 -12.094 4.361 525 HA ALA 69 HA ALA 69 9.992 -10.276 6.546 526 HB1 ALA 69 3HB ALA 69 10.771 -8.641 4.850 527 HB2 ALA 69 1HB ALA 69 9.137 -8.257 5.400 528 HB3 ALA 69 2HB ALA 69 9.386 -9.031 3.834 529 H THR 70 H THR 70 7.683 -9.405 6.805 530 HA THR 70 HA THR 70 5.830 -11.629 6.180 531 HB THR 70 HB THR 70 6.274 -11.447 8.577 532 HG1 THR 70 HG1 THR 70 4.246 -11.963 8.752 533 HG21 THR 70 3HG2 THR 70 6.883 -9.042 8.737 534 HG22 THR 70 1HG2 THR 70 5.658 -9.499 9.919 535 HG23 THR 70 2HG2 THR 70 5.192 -8.612 8.471 536 H THR 71 H THR 71 3.553 -11.073 5.968 537 HA THR 71 HA THR 71 3.013 -8.973 4.147 538 HB THR 71 HB THR 71 0.594 -9.567 4.450 539 HG1 THR 71 HG1 THR 71 0.104 -11.297 5.898 540 HG21 THR 71 3HG2 THR 71 1.971 -10.920 2.886 541 HG22 THR 71 1HG2 THR 71 0.700 -11.879 3.646 542 HG23 THR 71 2HG2 THR 71 2.366 -12.026 4.205 543 H GLU 72 H GLU 72 2.773 -9.210 7.678 544 HA GLU 72 HA GLU 72 1.164 -6.985 8.253 545 HB2 GLU 72 2HB GLU 72 1.899 -8.599 10.001 546 HB3 GLU 72 1HB GLU 72 3.553 -8.015 9.851 547 HG2 GLU 72 2HG GLU 72 2.650 -5.712 10.536 548 HG3 GLU 72 1HG GLU 72 1.147 -6.534 10.944 549 H GLN 73 H GLN 73 4.623 -7.230 7.604 550 HA GLN 73 HA GLN 73 5.454 -4.696 8.479 551 HB2 GLN 73 2HB GLN 73 6.926 -6.690 8.113 552 HB3 GLN 73 1HB GLN 73 6.748 -6.480 6.377 553 HG2 GLN 73 2HG GLN 73 7.829 -4.230 6.583 554 HG3 GLN 73 1HG GLN 73 8.080 -4.554 8.300 555 HE21 GLN 73 1HE2 GLN 73 9.079 -5.308 5.067 556 HE22 GLN 73 2HE2 GLN 73 10.505 -6.183 5.483 557 H TYR 74 H TYR 74 4.106 -5.744 5.413 558 HA TYR 74 HA TYR 74 4.617 -3.093 4.198 559 HB2 TYR 74 2HB TYR 74 3.874 -5.751 2.890 560 HB3 TYR 74 1HB TYR 74 4.129 -4.237 2.022 561 HD1 TYR 74 HD1 TYR 74 6.494 -3.035 2.759 562 HD2 TYR 74 HD2 TYR 74 5.729 -7.245 2.801 563 HE1 TYR 74 HE1 TYR 74 8.901 -3.473 2.588 564 HE2 TYR 74 HE2 TYR 74 8.152 -7.677 2.630 565 HH TYR 74 HH TYR 74 10.180 -6.500 1.834 566 H PHE 75 H PHE 75 2.054 -5.563 4.191 567 HA PHE 75 HA PHE 75 0.136 -3.917 2.939 568 HB2 PHE 75 2HB PHE 75 -0.187 -6.585 4.341 569 HB3 PHE 75 1HB PHE 75 -1.470 -5.802 3.429 570 HD1 PHE 75 HD1 PHE 75 1.973 -7.227 3.095 571 HD2 PHE 75 HD2 PHE 75 -1.614 -6.075 1.071 572 HE1 PHE 75 HE1 PHE 75 2.797 -8.275 1.026 573 HE2 PHE 75 HE2 PHE 75 -0.782 -7.132 -0.990 574 HZ PHE 75 HZ PHE 75 1.420 -8.225 -1.014 575 H VAL 76 H VAL 76 0.708 -4.319 6.463 576 HA VAL 76 HA VAL 76 -1.733 -3.122 7.312 577 HB VAL 76 HB VAL 76 1.010 -2.829 8.620 578 HG11 VAL 76 1HG1 VAL 76 -0.188 -2.115 10.666 579 HG12 VAL 76 2HG1 VAL 76 -1.721 -2.166 9.789 580 HG13 VAL 76 3HG1 VAL 76 -0.484 -0.997 9.329 581 HG21 VAL 76 3HG2 VAL 76 0.231 -5.160 8.575 582 HG22 VAL 76 1HG2 VAL 76 -1.282 -4.685 9.345 583 HG23 VAL 76 2HG2 VAL 76 0.245 -4.532 10.225 584 H LEU 77 H LEU 77 -2.397 -1.013 7.318 585 HA LEU 77 HA LEU 77 -1.549 0.287 4.962 586 HB2 LEU 77 2HB LEU 77 -3.510 1.325 7.023 587 HB3 LEU 77 1HB LEU 77 -3.417 1.774 5.322 588 HG LEU 77 HG LEU 77 -4.226 -0.952 6.421 589 HD11 LEU 77 1HD1 LEU 77 -6.429 -0.482 5.566 590 HD12 LEU 77 2HD1 LEU 77 -5.906 1.090 4.959 591 HD13 LEU 77 3HD1 LEU 77 -5.940 0.776 6.694 592 HD21 LEU 77 3HD2 LEU 77 -3.005 -1.288 4.342 593 HD22 LEU 77 1HD2 LEU 77 -3.995 -0.080 3.522 594 HD23 LEU 77 2HD2 LEU 77 -4.720 -1.590 4.084 595 H LYS 78 H LYS 78 -1.094 1.164 8.395 596 HA LYS 78 HA LYS 78 0.143 3.666 8.011 597 HB2 LYS 78 2HB LYS 78 1.127 3.397 10.243 598 HB3 LYS 78 1HB LYS 78 -0.539 2.849 10.236 599 HG2 LYS 78 2HG LYS 78 0.274 0.488 10.100 600 HG3 LYS 78 1HG LYS 78 1.930 1.088 10.243 601 HD2 LYS 78 2HD LYS 78 1.370 2.059 12.459 602 HD3 LYS 78 1HD LYS 78 -0.283 1.458 12.303 603 HE2 LYS 78 2HE LYS 78 1.005 -0.024 13.747 604 HE3 LYS 78 1HE LYS 78 0.595 -0.865 12.250 605 HZ1 LYS 78 3HZ LYS 78 3.211 0.421 12.827 606 HZ2 LYS 78 1HZ LYS 78 2.817 -0.454 11.440 607 HZ3 LYS 78 2HZ LYS 78 2.892 -1.235 12.932 608 H ASN 79 H ASN 79 1.449 0.425 7.796 609 HA ASN 79 HA ASN 79 4.226 1.178 7.642 610 HB2 ASN 79 2HB ASN 79 2.906 -1.480 6.927 611 HB3 ASN 79 1HB ASN 79 4.633 -1.214 7.157 612 HD21 ASN 79 1HD2 ASN 79 2.986 -3.079 8.549 613 HD22 ASN 79 2HD2 ASN 79 3.058 -2.691 10.224 614 H LEU 80 H LEU 80 1.764 -0.004 5.392 615 HA LEU 80 HA LEU 80 3.010 0.055 2.952 616 HB2 LEU 80 2HB LEU 80 0.741 -0.817 3.377 617 HB3 LEU 80 1HB LEU 80 0.153 0.798 3.719 618 HG LEU 80 HG LEU 80 0.411 1.428 1.354 619 HD11 LEU 80 1HD1 LEU 80 2.358 0.107 0.737 620 HD12 LEU 80 2HD1 LEU 80 1.025 -0.232 -0.363 621 HD13 LEU 80 3HD1 LEU 80 1.434 -1.389 0.906 622 HD21 LEU 80 3HD2 LEU 80 -1.105 -1.191 1.670 623 HD22 LEU 80 1HD2 LEU 80 -1.356 0.010 0.399 624 HD23 LEU 80 2HD2 LEU 80 -1.721 0.414 2.074 625 H ALA 81 H ALA 81 1.295 2.675 4.619 626 HA ALA 81 HA ALA 81 1.807 4.739 2.725 627 HB1 ALA 81 3HB ALA 81 -0.062 4.849 4.315 628 HB2 ALA 81 1HB ALA 81 0.970 6.273 4.457 629 HB3 ALA 81 2HB ALA 81 1.071 4.983 5.661 630 H ALA 82 H ALA 82 3.600 3.540 5.508 631 HA ALA 82 HA ALA 82 5.445 5.722 5.734 632 HB1 ALA 82 3HB ALA 82 5.019 4.184 7.611 633 HB2 ALA 82 1HB ALA 82 6.736 4.228 7.197 634 HB3 ALA 82 2HB ALA 82 5.742 2.857 6.699 635 H ARG 83 H ARG 83 5.562 2.542 4.130 636 HA ARG 83 HA ARG 83 8.115 2.600 2.991 637 HB2 ARG 83 2HB ARG 83 5.548 1.316 1.932 638 HB3 ARG 83 1HB ARG 83 7.151 0.995 1.281 639 HG2 ARG 83 2HG ARG 83 6.162 0.282 4.065 640 HG3 ARG 83 1HG ARG 83 6.424 -0.831 2.716 641 HD2 ARG 83 2HD ARG 83 8.518 0.756 4.240 642 HD3 ARG 83 1HD ARG 83 8.298 -0.995 4.246 643 HE ARG 83 HE ARG 83 8.888 -0.879 1.793 644 HH11 ARG 83 1HH1 ARG 83 10.160 1.471 4.081 645 HH12 ARG 83 2HH1 ARG 83 11.526 1.840 3.085 646 HH21 ARG 83 1HH2 ARG 83 10.674 -0.321 0.521 647 HH22 ARG 83 2HH2 ARG 83 11.815 0.848 1.101 648 H ILE 84 H ILE 84 4.997 3.665 1.742 649 HA ILE 84 HA ILE 84 5.889 4.530 -0.810 650 HB ILE 84 HB ILE 84 3.333 5.042 0.755 651 HG12 ILE 84 2HG1 ILE 84 3.825 3.285 -1.692 652 HG13 ILE 84 1HG1 ILE 84 3.874 2.691 -0.035 653 HG21 ILE 84 1HG2 ILE 84 3.562 6.942 -0.758 654 HG22 ILE 84 2HG2 ILE 84 2.287 5.872 -1.335 655 HG23 ILE 84 3HG2 ILE 84 3.865 5.858 -2.118 656 HD11 ILE 84 3HD1 ILE 84 1.538 3.239 0.255 657 HD12 ILE 84 1HD1 ILE 84 1.769 2.188 -1.139 658 HD13 ILE 84 2HD1 ILE 84 1.468 3.909 -1.377 659 H ASP 85 H ASP 85 5.162 6.348 2.200 660 HA ASP 85 HA ASP 85 5.891 8.891 1.374 661 HB2 ASP 85 2HB ASP 85 4.834 8.352 3.574 662 HB3 ASP 85 1HB ASP 85 6.367 7.690 4.134 663 H GLU 86 H GLU 86 7.970 6.209 2.404 664 HA GLU 86 HA GLU 86 10.417 7.657 2.340 665 HB2 GLU 86 2HB GLU 86 10.264 5.484 3.495 666 HB3 GLU 86 1HB GLU 86 9.936 4.670 1.968 667 HG2 GLU 86 2HG GLU 86 12.170 5.251 1.144 668 HG3 GLU 86 1HG GLU 86 12.500 6.154 2.619 669 H LEU 87 H LEU 87 8.592 5.828 -0.098 670 HA LEU 87 HA LEU 87 10.455 6.011 -2.221 671 HB2 LEU 87 2HB LEU 87 7.432 5.655 -2.329 672 HB3 LEU 87 1HB LEU 87 8.510 5.417 -3.696 673 HG LEU 87 HG LEU 87 8.561 3.778 -1.131 674 HD11 LEU 87 1HD1 LEU 87 7.522 2.977 -3.863 675 HD12 LEU 87 2HD1 LEU 87 6.545 3.312 -2.431 676 HD13 LEU 87 3HD1 LEU 87 7.641 1.934 -2.441 677 HD21 LEU 87 3HD2 LEU 87 10.150 2.310 -2.298 678 HD22 LEU 87 1HD2 LEU 87 10.787 3.944 -2.127 679 HD23 LEU 87 2HD2 LEU 87 10.161 3.402 -3.686 680 H VAL 88 H VAL 88 7.773 8.193 -1.276 681 HA VAL 88 HA VAL 88 8.069 9.929 -3.554 682 HB VAL 88 HB VAL 88 6.502 11.470 -2.530 683 HG11 VAL 88 1HG1 VAL 88 5.598 8.614 -2.007 684 HG12 VAL 88 2HG1 VAL 88 5.520 9.470 -3.548 685 HG13 VAL 88 3HG1 VAL 88 4.538 10.017 -2.190 686 HG21 VAL 88 3HG2 VAL 88 7.318 11.503 -0.210 687 HG22 VAL 88 1HG2 VAL 88 6.707 9.870 0.054 688 HG23 VAL 88 2HG2 VAL 88 5.583 11.199 -0.243 689 H ALA 89 H ALA 89 9.343 9.843 -0.280 690 HA ALA 89 HA ALA 89 10.700 12.335 -0.267 691 HB1 ALA 89 3HB ALA 89 10.313 11.033 1.789 692 HB2 ALA 89 1HB ALA 89 12.038 11.353 1.573 693 HB3 ALA 89 2HB ALA 89 11.379 9.757 1.199 694 H ALA 90 H ALA 90 11.684 9.045 -1.154 695 HA ALA 90 HA ALA 90 14.354 9.411 -1.768 696 HB1 ALA 90 3HB ALA 90 12.456 7.375 -2.982 697 HB2 ALA 90 1HB ALA 90 13.298 7.207 -1.440 698 HB3 ALA 90 2HB ALA 90 14.218 7.266 -2.942 699 H LYS 91 H LYS 91 11.550 9.568 -4.004 700 HA LYS 91 HA LYS 91 13.077 9.902 -6.373 701 HB2 LYS 91 2HB LYS 91 10.989 10.475 -7.499 702 HB3 LYS 91 1HB LYS 91 10.720 9.122 -6.404 703 HG2 LYS 91 2HG LYS 91 9.692 10.644 -4.764 704 HG3 LYS 91 1HG LYS 91 9.969 12.010 -5.851 705 HD2 LYS 91 2HD LYS 91 8.486 10.960 -7.534 706 HD3 LYS 91 1HD LYS 91 8.217 9.594 -6.447 707 HE2 LYS 91 2HE LYS 91 6.323 11.099 -6.317 708 HE3 LYS 91 1HE LYS 91 7.202 11.169 -4.791 709 HZ1 LYS 91 3HZ LYS 91 6.610 13.360 -5.469 710 HZ2 LYS 91 1HZ LYS 91 7.300 13.145 -7.003 711 HZ3 LYS 91 2HZ LYS 91 8.286 13.206 -5.630 712 H GLY 92 H GLY 92 11.721 12.228 -4.071 713 HA2 GLY 92 2HA GLY 92 12.416 14.598 -5.503 714 HA3 GLY 92 1HA GLY 92 12.054 14.486 -3.784 715 H ALA 93 H ALA 93 13.991 12.729 -2.981 716 HA ALA 93 HA ALA 93 16.293 14.299 -2.553 717 HB1 ALA 93 3HB ALA 93 17.248 12.328 -1.445 718 HB2 ALA 93 1HB ALA 93 15.993 11.303 -2.155 719 HB3 ALA 93 2HB ALA 93 15.560 12.550 -0.984 720 H LEU 94 H LEU 94 15.626 11.765 -4.939 721 HA LEU 94 HA LEU 94 18.130 11.483 -6.148 722 HB2 LEU 94 2HB LEU 94 15.332 11.367 -7.329 723 HB3 LEU 94 1HB LEU 94 16.757 11.013 -8.288 724 HG LEU 94 HG LEU 94 15.935 9.459 -5.802 725 HD11 LEU 94 1HD1 LEU 94 15.596 8.702 -8.718 726 HD12 LEU 94 2HD1 LEU 94 14.309 9.104 -7.581 727 HD13 LEU 94 3HD1 LEU 94 15.273 7.652 -7.332 728 HD21 LEU 94 3HD2 LEU 94 18.112 8.880 -7.844 729 HD22 LEU 94 1HD2 LEU 94 17.640 7.820 -6.508 730 HD23 LEU 94 2HD2 LEU 94 18.360 9.392 -6.172 731 H GLU 95 H GLU 95 15.541 13.832 -6.856 732 HA GLU 95 HA GLU 95 17.098 15.402 -8.704 733 HB2 GLU 95 2HB GLU 95 14.520 16.064 -7.211 734 HB3 GLU 95 1HB GLU 95 15.210 17.036 -8.515 735 HG2 GLU 95 2HG GLU 95 14.919 15.089 -10.051 736 HG3 GLU 95 1HG GLU 95 14.143 14.200 -8.736 737 H HIS 96 H HIS 96 18.140 17.353 -8.298 738 HA HIS 96 HA HIS 96 18.907 17.952 -5.560 739 HB2 HIS 96 2HB HIS 96 20.544 18.054 -7.497 740 HB3 HIS 96 1HB HIS 96 19.672 19.461 -8.094 741 HD1 HIS 96 HD1 HIS 96 20.622 21.617 -7.361 742 HD2 HIS 96 HD2 HIS 96 21.495 18.576 -4.663 743 HE1 HIS 96 HE1 HIS 96 22.068 22.669 -5.606 744 HE2 HIS 96 HE2 HIS 96 22.761 20.764 -4.110 745 H HIS 97 H HIS 97 16.969 18.561 -4.673 746 HA HIS 97 HA HIS 97 15.282 20.632 -5.863 747 HB2 HIS 97 2HB HIS 97 13.648 19.957 -4.074 748 HB3 HIS 97 1HB HIS 97 14.136 18.621 -5.103 749 HD1 HIS 97 HD1 HIS 97 15.790 16.840 -4.029 750 HD2 HIS 97 HD2 HIS 97 14.148 19.579 -1.368 751 HE1 HIS 97 HE1 HIS 97 16.244 15.917 -1.739 752 HE2 HIS 97 HE2 HIS 97 15.233 17.575 -0.148 753 H HIS 98 H HIS 98 17.585 21.799 -5.201 754 HA HIS 98 HA HIS 98 17.564 22.994 -2.574 755 HB2 HIS 98 2HB HIS 98 19.691 22.678 -3.835 756 HB3 HIS 98 1HB HIS 98 19.129 23.784 -5.082 757 HD1 HIS 98 HD1 HIS 98 20.333 23.710 -1.522 758 HD2 HIS 98 HD2 HIS 98 19.441 26.492 -4.469 759 HE1 HIS 98 HE1 HIS 98 21.190 25.895 -0.651 760 HE2 HIS 98 HE2 HIS 98 20.802 27.531 -2.528 761 H HIS 99 H HIS 99 15.482 23.832 -2.429 762 HA HIS 99 HA HIS 99 14.640 25.976 -4.255 763 HB2 HIS 99 2HB HIS 99 13.049 24.142 -3.564 764 HB3 HIS 99 1HB HIS 99 13.158 24.717 -1.906 765 HD1 HIS 99 HD1 HIS 99 10.991 25.807 -1.396 766 HD2 HIS 99 HD2 HIS 99 12.309 26.744 -5.229 767 HE1 HIS 99 HE1 HIS 99 9.281 27.400 -2.333 768 HE2 HIS 99 HE2 HIS 99 10.065 27.898 -4.670 769 H HIS 100 H HIS 100 14.635 25.526 -0.684 770 HA HIS 100 HA HIS 100 16.238 27.930 -0.232 771 HB2 HIS 100 2HB HIS 100 13.402 27.655 0.882 772 HB3 HIS 100 1HB HIS 100 14.585 28.779 1.538 773 HD1 HIS 100 HD1 HIS 100 15.213 30.841 0.029 774 HD2 HIS 100 HD2 HIS 100 12.090 28.515 -1.429 775 HE1 HIS 100 HE1 HIS 100 14.097 32.241 -1.727 776 HE2 HIS 100 HE2 HIS 100 12.330 30.747 -2.716 777 H HIS 101 H HIS 101 16.930 28.040 2.085 778 HA HIS 101 HA HIS 101 17.340 25.526 3.406 779 HB2 HIS 101 2HB HIS 101 17.807 28.413 4.245 780 HB3 HIS 101 1HB HIS 101 18.012 27.106 5.403 781 HD1 HIS 101 HD1 HIS 101 20.216 25.898 5.373 782 HD2 HIS 101 HD2 HIS 101 19.684 28.283 2.015 783 HE1 HIS 101 HE1 HIS 101 22.424 25.873 4.172 784 HE2 HIS 101 HE2 HIS 101 22.062 27.270 2.112 Start of MODEL 10 1 H1 MET 1 1H MET 1 -0.384 18.870 7.067 2 H2 MET 1 2H MET 1 -1.666 19.717 6.370 3 H3 MET 1 3H MET 1 -0.078 20.242 6.129 4 HA MET 1 HA MET 1 -0.934 19.135 4.180 5 HB2 MET 1 2HB MET 1 1.175 17.458 5.614 6 HB3 MET 1 1HB MET 1 0.902 17.495 3.876 7 HG2 MET 1 2HG MET 1 2.864 18.777 4.409 8 HG3 MET 1 1HG MET 1 1.601 19.879 3.853 9 HE1 MET 1 3HE MET 1 3.189 21.854 4.884 10 HE2 MET 1 1HE MET 1 4.327 20.673 5.530 11 HE3 MET 1 2HE MET 1 3.655 21.919 6.585 12 H THR 2 H THR 2 -1.883 17.264 3.223 13 HA THR 2 HA THR 2 -3.298 15.422 4.957 14 HB THR 2 HB THR 2 -4.386 16.068 2.866 15 HG1 THR 2 HG1 THR 2 -5.090 14.089 3.293 16 HG21 THR 2 3HG2 THR 2 -2.420 16.478 1.436 17 HG22 THR 2 1HG2 THR 2 -3.545 15.372 0.652 18 HG23 THR 2 2HG2 THR 2 -2.075 14.746 1.400 19 H SER 3 H SER 3 -2.637 13.405 5.560 20 HA SER 3 HA SER 3 0.139 12.742 5.423 21 HB2 SER 3 2HB SER 3 -1.138 12.240 7.451 22 HB3 SER 3 1HB SER 3 -2.250 11.207 6.553 23 HG SER 3 HG SER 3 -0.177 10.389 7.803 24 H THR 4 H THR 4 1.107 10.873 4.530 25 HA THR 4 HA THR 4 0.352 9.990 1.983 26 HB THR 4 HB THR 4 2.072 8.362 3.916 27 HG1 THR 4 HG1 THR 4 3.539 9.882 3.815 28 HG21 THR 4 3HG2 THR 4 2.207 8.670 0.884 29 HG22 THR 4 1HG2 THR 4 1.585 7.256 1.746 30 HG23 THR 4 2HG2 THR 4 3.290 7.689 1.873 31 H PHE 5 H PHE 5 -0.556 8.855 5.183 32 HA PHE 5 HA PHE 5 -1.689 6.353 4.552 33 HB2 PHE 5 2HB PHE 5 -1.392 6.855 6.885 34 HB3 PHE 5 1HB PHE 5 -2.321 8.346 6.765 35 HD1 PHE 5 HD1 PHE 5 -2.741 4.624 6.335 36 HD2 PHE 5 HD2 PHE 5 -4.609 8.319 7.440 37 HE1 PHE 5 HE1 PHE 5 -4.790 3.421 6.948 38 HE2 PHE 5 HE2 PHE 5 -6.653 7.090 8.058 39 HZ PHE 5 HZ PHE 5 -6.741 4.636 7.820 40 H ASP 6 H ASP 6 -3.198 9.567 4.782 41 HA ASP 6 HA ASP 6 -5.842 8.876 4.160 42 HB2 ASP 6 2HB ASP 6 -4.311 11.487 3.858 43 HB3 ASP 6 1HB ASP 6 -6.031 11.378 3.517 44 H ARG 7 H ARG 7 -3.171 9.801 2.055 45 HA ARG 7 HA ARG 7 -4.654 10.034 -0.369 46 HB2 ARG 7 2HB ARG 7 -1.685 9.427 -0.144 47 HB3 ARG 7 1HB ARG 7 -2.527 10.208 -1.488 48 HG2 ARG 7 2HG ARG 7 -3.004 12.155 -0.036 49 HG3 ARG 7 1HG ARG 7 -2.158 11.368 1.298 50 HD2 ARG 7 2HD ARG 7 -0.130 11.273 -0.316 51 HD3 ARG 7 1HD ARG 7 -1.026 12.448 -1.284 52 HE ARG 7 HE ARG 7 -0.760 13.220 1.477 53 HH11 ARG 7 1HH1 ARG 7 0.773 13.350 -1.697 54 HH12 ARG 7 2HH1 ARG 7 1.896 14.585 -1.227 55 HH21 ARG 7 1HH2 ARG 7 0.708 14.842 2.045 56 HH22 ARG 7 2HH2 ARG 7 1.862 15.421 0.888 57 H VAL 8 H VAL 8 -2.564 7.426 0.913 58 HA VAL 8 HA VAL 8 -3.025 5.518 -1.138 59 HB VAL 8 HB VAL 8 -2.249 5.059 1.787 60 HG11 VAL 8 1HG1 VAL 8 -3.142 2.975 0.856 61 HG12 VAL 8 2HG1 VAL 8 -1.394 2.840 1.038 62 HG13 VAL 8 3HG1 VAL 8 -2.092 3.124 -0.558 63 HG21 VAL 8 3HG2 VAL 8 -0.619 6.455 0.550 64 HG22 VAL 8 1HG2 VAL 8 -0.498 5.213 -0.703 65 HG23 VAL 8 2HG2 VAL 8 0.061 4.876 0.937 66 H ALA 9 H ALA 9 -4.763 6.349 1.788 67 HA ALA 9 HA ALA 9 -6.506 4.109 1.953 68 HB1 ALA 9 3HB ALA 9 -6.071 5.557 3.903 69 HB2 ALA 9 1HB ALA 9 -7.802 5.483 3.545 70 HB3 ALA 9 2HB ALA 9 -6.863 6.905 3.082 71 H THR 10 H THR 10 -6.808 7.362 0.519 72 HA THR 10 HA THR 10 -9.309 7.307 -0.647 73 HB THR 10 HB THR 10 -6.680 8.496 -1.628 74 HG1 THR 10 HG1 THR 10 -8.849 9.912 -0.504 75 HG21 THR 10 3HG2 THR 10 -7.964 10.024 -3.069 76 HG22 THR 10 1HG2 THR 10 -9.452 9.166 -2.681 77 HG23 THR 10 2HG2 THR 10 -8.170 8.346 -3.585 78 H ILE 11 H ILE 11 -6.228 6.106 -2.002 79 HA ILE 11 HA ILE 11 -7.097 5.191 -4.500 80 HB ILE 11 HB ILE 11 -4.812 4.239 -2.719 81 HG12 ILE 11 2HG1 ILE 11 -4.597 6.579 -3.526 82 HG13 ILE 11 1HG1 ILE 11 -3.349 5.560 -4.232 83 HG21 ILE 11 1HG2 ILE 11 -5.327 2.367 -4.177 84 HG22 ILE 11 2HG2 ILE 11 -3.818 3.107 -4.707 85 HG23 ILE 11 3HG2 ILE 11 -5.311 3.409 -5.602 86 HD11 ILE 11 3HD1 ILE 11 -4.254 7.120 -5.842 87 HD12 ILE 11 1HD1 ILE 11 -5.876 6.472 -5.613 88 HD13 ILE 11 2HD1 ILE 11 -4.610 5.464 -6.329 89 H ILE 12 H ILE 12 -6.724 3.396 -1.453 90 HA ILE 12 HA ILE 12 -7.638 0.880 -2.385 91 HB ILE 12 HB ILE 12 -7.476 2.007 0.448 92 HG12 ILE 12 2HG1 ILE 12 -5.557 0.207 -1.101 93 HG13 ILE 12 1HG1 ILE 12 -5.304 1.913 -0.760 94 HG21 ILE 12 1HG2 ILE 12 -7.866 -0.896 -0.371 95 HG22 ILE 12 2HG2 ILE 12 -9.050 0.125 0.448 96 HG23 ILE 12 3HG2 ILE 12 -7.557 -0.328 1.270 97 HD11 ILE 12 3HD1 ILE 12 -5.173 1.392 1.637 98 HD12 ILE 12 1HD1 ILE 12 -3.963 0.533 0.685 99 HD13 ILE 12 2HD1 ILE 12 -5.393 -0.320 1.263 100 H ALA 13 H ALA 13 -9.277 3.608 -0.860 101 HA ALA 13 HA ALA 13 -11.759 2.458 -0.252 102 HB1 ALA 13 3HB ALA 13 -12.611 4.764 -0.094 103 HB2 ALA 13 1HB ALA 13 -11.166 5.360 -0.921 104 HB3 ALA 13 2HB ALA 13 -11.029 4.616 0.671 105 H GLU 14 H GLU 14 -10.772 4.331 -3.111 106 HA GLU 14 HA GLU 14 -13.243 4.109 -4.483 107 HB2 GLU 14 2HB GLU 14 -10.477 4.789 -5.559 108 HB3 GLU 14 1HB GLU 14 -12.001 5.073 -6.402 109 HG2 GLU 14 2HG GLU 14 -11.217 6.356 -3.756 110 HG3 GLU 14 1HG GLU 14 -11.007 7.111 -5.333 111 H THR 15 H THR 15 -10.105 2.447 -4.934 112 HA THR 15 HA THR 15 -10.863 0.978 -7.243 113 HB THR 15 HB THR 15 -8.566 0.408 -5.310 114 HG1 THR 15 HG1 THR 15 -8.794 2.131 -7.565 115 HG21 THR 15 3HG2 THR 15 -7.430 -0.598 -7.251 116 HG22 THR 15 1HG2 THR 15 -8.846 -0.290 -8.261 117 HG23 THR 15 2HG2 THR 15 -8.945 -1.444 -6.930 118 H CYS 16 H CYS 16 -10.602 0.022 -3.793 119 HA CYS 16 HA CYS 16 -11.703 -2.621 -4.355 120 HB2 CYS 16 2HB CYS 16 -10.633 -1.458 -1.761 121 HB3 CYS 16 1HB CYS 16 -10.973 -3.161 -2.085 122 HG CYS 16 HG CYS 16 -8.633 -3.713 -2.981 123 H ASP 17 H ASP 17 -13.175 0.255 -3.849 124 HA ASP 17 HA ASP 17 -15.267 0.917 -3.308 125 HB2 ASP 17 2HB ASP 17 -15.802 -2.088 -3.355 126 HB3 ASP 17 1HB ASP 17 -17.082 -0.895 -3.164 127 H ILE 18 H ILE 18 -13.337 0.496 -1.132 128 HA ILE 18 HA ILE 18 -14.949 -0.443 1.145 129 HB ILE 18 HB ILE 18 -11.993 0.324 1.024 130 HG12 ILE 18 2HG1 ILE 18 -13.318 -2.430 1.109 131 HG13 ILE 18 1HG1 ILE 18 -12.483 -1.731 -0.275 132 HG21 ILE 18 1HG2 ILE 18 -13.544 -0.966 3.310 133 HG22 ILE 18 2HG2 ILE 18 -12.907 0.680 3.286 134 HG23 ILE 18 3HG2 ILE 18 -11.800 -0.690 3.272 135 HD11 ILE 18 3HD1 ILE 18 -10.371 -1.810 0.957 136 HD12 ILE 18 1HD1 ILE 18 -11.129 -3.396 0.849 137 HD13 ILE 18 2HD1 ILE 18 -11.208 -2.491 2.358 138 HA PRO 19 HA PRO 19 -15.901 3.912 2.152 139 HB2 PRO 19 2HB PRO 19 -16.956 3.415 4.688 140 HB3 PRO 19 1HB PRO 19 -17.869 3.288 3.182 141 HG2 PRO 19 2HG PRO 19 -16.558 1.121 4.800 142 HG3 PRO 19 1HG PRO 19 -18.138 1.112 3.987 143 HD2 PRO 19 2HD PRO 19 -15.979 -0.123 2.915 144 HD3 PRO 19 1HD PRO 19 -17.195 0.669 1.891 145 H ARG 20 H ARG 20 -14.680 5.459 3.038 146 HA ARG 20 HA ARG 20 -12.158 5.023 4.196 147 HB2 ARG 20 2HB ARG 20 -13.899 7.486 3.864 148 HB3 ARG 20 1HB ARG 20 -12.364 7.600 4.716 149 HG2 ARG 20 2HG ARG 20 -12.658 6.607 1.857 150 HG3 ARG 20 1HG ARG 20 -12.242 8.268 2.312 151 HD2 ARG 20 2HD ARG 20 -10.624 5.763 2.934 152 HD3 ARG 20 1HD ARG 20 -10.209 7.016 1.756 153 HE ARG 20 HE ARG 20 -10.177 7.295 4.708 154 HH11 ARG 20 1HH1 ARG 20 -9.261 8.576 1.573 155 HH12 ARG 20 2HH1 ARG 20 -8.154 9.732 2.238 156 HH21 ARG 20 1HH2 ARG 20 -8.767 8.836 5.571 157 HH22 ARG 20 2HH2 ARG 20 -7.893 9.907 4.518 158 H GLU 21 H GLU 21 -15.283 5.548 5.680 159 HA GLU 21 HA GLU 21 -14.466 6.213 8.304 160 HB2 GLU 21 2HB GLU 21 -16.765 5.590 8.969 161 HB3 GLU 21 1HB GLU 21 -16.768 6.580 7.514 162 HG2 GLU 21 2HG GLU 21 -17.135 4.585 6.130 163 HG3 GLU 21 1HG GLU 21 -17.073 3.556 7.559 164 H THR 22 H THR 22 -14.720 3.100 6.650 165 HA THR 22 HA THR 22 -14.235 1.601 9.130 166 HB THR 22 HB THR 22 -14.591 -0.444 7.745 167 HG1 THR 22 HG1 THR 22 -13.963 0.174 5.719 168 HG21 THR 22 3HG2 THR 22 -16.993 -0.159 7.285 169 HG22 THR 22 1HG2 THR 22 -16.819 1.592 7.417 170 HG23 THR 22 2HG2 THR 22 -16.561 0.571 8.834 171 H ILE 23 H ILE 23 -12.432 3.036 6.658 172 HA ILE 23 HA ILE 23 -10.177 1.187 6.677 173 HB ILE 23 HB ILE 23 -10.540 3.990 5.524 174 HG12 ILE 23 2HG1 ILE 23 -10.167 1.269 4.201 175 HG13 ILE 23 1HG1 ILE 23 -11.673 2.173 4.287 176 HG21 ILE 23 1HG2 ILE 23 -8.207 3.891 6.220 177 HG22 ILE 23 2HG2 ILE 23 -8.301 3.790 4.461 178 HG23 ILE 23 3HG2 ILE 23 -8.001 2.339 5.412 179 HD11 ILE 23 3HD1 ILE 23 -9.200 2.995 2.763 180 HD12 ILE 23 1HD1 ILE 23 -10.715 3.899 2.848 181 HD13 ILE 23 2HD1 ILE 23 -10.677 2.310 2.088 182 H THR 24 H THR 24 -8.664 1.094 8.236 183 HA THR 24 HA THR 24 -8.161 3.417 10.029 184 HB THR 24 HB THR 24 -7.773 1.842 11.893 185 HG1 THR 24 HG1 THR 24 -8.763 -0.267 10.293 186 HG21 THR 24 3HG2 THR 24 -10.078 2.701 11.608 187 HG22 THR 24 1HG2 THR 24 -10.082 1.067 12.282 188 HG23 THR 24 2HG2 THR 24 -10.464 1.319 10.578 189 HA PRO 25 HA PRO 25 -3.759 2.978 9.054 190 HB2 PRO 25 2HB PRO 25 -3.194 3.230 11.994 191 HB3 PRO 25 1HB PRO 25 -2.563 4.181 10.642 192 HG2 PRO 25 2HG PRO 25 -4.423 5.212 12.250 193 HG3 PRO 25 1HG PRO 25 -4.497 5.501 10.497 194 HD2 PRO 25 2HD PRO 25 -6.095 3.554 12.163 195 HD3 PRO 25 1HD PRO 25 -6.629 4.613 10.844 196 H GLU 26 H GLU 26 -5.009 1.071 11.759 197 HA GLU 26 HA GLU 26 -2.758 -0.778 11.803 198 HB2 GLU 26 2HB GLU 26 -4.006 -1.930 13.609 199 HB3 GLU 26 1HB GLU 26 -3.834 -0.205 13.924 200 HG2 GLU 26 2HG GLU 26 -6.148 0.193 13.258 201 HG3 GLU 26 1HG GLU 26 -6.336 -1.498 12.789 202 H SER 27 H SER 27 -5.496 -0.461 9.904 203 HA SER 27 HA SER 27 -6.414 -3.107 9.577 204 HB2 SER 27 2HB SER 27 -7.653 -1.104 8.803 205 HB3 SER 27 1HB SER 27 -6.429 -0.816 7.569 206 HG SER 27 HG SER 27 -8.455 -2.689 7.668 207 H HIS 28 H HIS 28 -5.340 -4.785 8.773 208 HA HIS 28 HA HIS 28 -3.047 -4.539 6.980 209 HB2 HIS 28 2HB HIS 28 -3.206 -6.232 8.884 210 HB3 HIS 28 1HB HIS 28 -4.454 -7.064 7.962 211 HD2 HIS 28 HD2 HIS 28 -0.693 -6.979 8.346 212 HE1 HIS 28 HE1 HIS 28 -1.480 -8.995 4.725 213 HE2 HIS 28 HE2 HIS 28 0.150 -8.728 6.645 214 H ALA 29 H ALA 29 -3.278 -4.580 4.774 215 HA ALA 29 HA ALA 29 -5.662 -4.505 3.411 216 HB1 ALA 29 3HB ALA 29 -3.020 -5.473 2.275 217 HB2 ALA 29 1HB ALA 29 -3.504 -3.786 2.460 218 HB3 ALA 29 2HB ALA 29 -4.387 -4.840 1.353 219 H ILE 30 H ILE 30 -3.546 -7.431 3.678 220 HA ILE 30 HA ILE 30 -5.321 -9.118 2.202 221 HB ILE 30 HB ILE 30 -3.060 -9.886 4.102 222 HG12 ILE 30 2HG1 ILE 30 -3.145 -9.698 1.052 223 HG13 ILE 30 1HG1 ILE 30 -2.273 -8.617 2.135 224 HG21 ILE 30 1HG2 ILE 30 -4.560 -11.677 2.157 225 HG22 ILE 30 2HG2 ILE 30 -4.641 -11.756 3.917 226 HG23 ILE 30 3HG2 ILE 30 -3.133 -12.141 3.091 227 HD11 ILE 30 3HD1 ILE 30 -0.809 -10.485 2.785 228 HD12 ILE 30 1HD1 ILE 30 -0.769 -10.164 1.052 229 HD13 ILE 30 2HD1 ILE 30 -1.679 -11.543 1.668 230 H ASP 31 H ASP 31 -4.642 -8.864 5.706 231 HA ASP 31 HA ASP 31 -6.481 -10.908 6.454 232 HB2 ASP 31 2HB ASP 31 -4.542 -10.414 7.860 233 HB3 ASP 31 1HB ASP 31 -5.097 -8.762 8.114 234 H ASP 32 H ASP 32 -6.583 -7.391 7.115 235 HA ASP 32 HA ASP 32 -9.194 -7.589 8.287 236 HB2 ASP 32 2HB ASP 32 -7.328 -6.025 9.065 237 HB3 ASP 32 1HB ASP 32 -7.637 -5.044 7.639 238 H LEU 33 H LEU 33 -7.927 -5.835 5.427 239 HA LEU 33 HA LEU 33 -10.535 -4.958 4.570 240 HB2 LEU 33 2HB LEU 33 -7.848 -4.868 3.155 241 HB3 LEU 33 1HB LEU 33 -9.306 -4.069 2.582 242 HG LEU 33 HG LEU 33 -7.778 -3.414 5.137 243 HD11 LEU 33 1HD1 LEU 33 -6.627 -2.655 3.122 244 HD12 LEU 33 2HD1 LEU 33 -7.248 -1.288 4.041 245 HD13 LEU 33 3HD1 LEU 33 -8.078 -1.812 2.570 246 HD21 LEU 33 3HD2 LEU 33 -9.347 -1.524 5.412 247 HD22 LEU 33 1HD2 LEU 33 -10.164 -3.081 5.524 248 HD23 LEU 33 2HD2 LEU 33 -10.310 -2.112 4.052 249 H GLY 34 H GLY 34 -8.771 -7.874 4.109 250 HA2 GLY 34 2HA GLY 34 -9.440 -9.833 3.061 251 HA3 GLY 34 1HA GLY 34 -10.843 -9.002 2.415 252 H ILE 35 H ILE 35 -8.000 -7.343 1.775 253 HA ILE 35 HA ILE 35 -8.128 -7.847 -1.081 254 HB ILE 35 HB ILE 35 -6.477 -5.913 0.595 255 HG12 ILE 35 2HG1 ILE 35 -8.897 -5.361 -1.178 256 HG13 ILE 35 1HG1 ILE 35 -8.961 -5.508 0.578 257 HG21 ILE 35 1HG2 ILE 35 -5.904 -4.756 -1.511 258 HG22 ILE 35 2HG2 ILE 35 -6.701 -6.028 -2.433 259 HG23 ILE 35 3HG2 ILE 35 -5.262 -6.397 -1.482 260 HD11 ILE 35 3HD1 ILE 35 -7.524 -3.546 0.793 261 HD12 ILE 35 1HD1 ILE 35 -8.982 -3.197 -0.132 262 HD13 ILE 35 2HD1 ILE 35 -7.448 -3.407 -0.965 263 H ASP 36 H ASP 36 -7.214 -9.792 -1.529 264 HA ASP 36 HA ASP 36 -4.820 -10.883 -0.473 265 HB2 ASP 36 2HB ASP 36 -6.668 -12.182 -1.619 266 HB3 ASP 36 1HB ASP 36 -6.206 -11.449 -3.145 267 H SER 37 H SER 37 -2.813 -11.264 -1.792 268 HA SER 37 HA SER 37 -1.542 -8.951 -2.671 269 HB2 SER 37 2HB SER 37 -0.350 -10.925 -1.821 270 HB3 SER 37 1HB SER 37 -0.834 -11.857 -3.238 271 HG SER 37 HG SER 37 1.039 -9.776 -3.011 272 H LEU 38 H LEU 38 -3.729 -10.951 -4.493 273 HA LEU 38 HA LEU 38 -2.771 -10.153 -7.116 274 HB2 LEU 38 2HB LEU 38 -5.383 -11.494 -6.322 275 HB3 LEU 38 1HB LEU 38 -4.776 -11.316 -7.963 276 HG LEU 38 HG LEU 38 -3.640 -13.078 -5.758 277 HD11 LEU 38 1HD1 LEU 38 -5.626 -13.981 -6.861 278 HD12 LEU 38 2HD1 LEU 38 -4.205 -14.928 -7.281 279 HD13 LEU 38 3HD1 LEU 38 -4.874 -13.783 -8.448 280 HD21 LEU 38 3HD2 LEU 38 -1.752 -12.111 -6.956 281 HD22 LEU 38 1HD2 LEU 38 -2.454 -12.550 -8.516 282 HD23 LEU 38 2HD2 LEU 38 -1.919 -13.806 -7.394 283 H ASP 39 H ASP 39 -5.503 -9.384 -4.977 284 HA ASP 39 HA ASP 39 -6.778 -7.479 -6.694 285 HB2 ASP 39 2HB ASP 39 -7.954 -8.682 -4.827 286 HB3 ASP 39 1HB ASP 39 -7.015 -7.762 -3.657 287 H PHE 40 H PHE 40 -4.279 -7.338 -4.279 288 HA PHE 40 HA PHE 40 -4.183 -4.549 -3.840 289 HB2 PHE 40 2HB PHE 40 -3.183 -6.454 -2.394 290 HB3 PHE 40 1HB PHE 40 -1.818 -6.423 -3.498 291 HD1 PHE 40 HD1 PHE 40 -0.264 -4.475 -3.512 292 HD2 PHE 40 HD2 PHE 40 -3.573 -4.616 -0.819 293 HE1 PHE 40 HE1 PHE 40 0.705 -2.623 -2.231 294 HE2 PHE 40 HE2 PHE 40 -2.594 -2.762 0.458 295 HZ PHE 40 HZ PHE 40 -0.464 -1.768 -0.252 296 H LEU 41 H LEU 41 -3.067 -6.501 -6.489 297 HA LEU 41 HA LEU 41 -0.886 -5.014 -7.469 298 HB2 LEU 41 2HB LEU 41 -2.948 -6.777 -8.816 299 HB3 LEU 41 1HB LEU 41 -1.724 -5.964 -9.774 300 HG LEU 41 HG LEU 41 -1.046 -7.877 -7.500 301 HD11 LEU 41 1HD1 LEU 41 -2.277 -9.127 -9.209 302 HD12 LEU 41 2HD1 LEU 41 -0.577 -9.590 -9.196 303 HD13 LEU 41 3HD1 LEU 41 -1.190 -8.523 -10.463 304 HD21 LEU 41 3HD2 LEU 41 0.664 -6.741 -9.748 305 HD22 LEU 41 1HD2 LEU 41 1.193 -7.916 -8.540 306 HD23 LEU 41 2HD2 LEU 41 0.742 -6.290 -8.042 307 H ASP 42 H ASP 42 -4.383 -4.573 -7.879 308 HA ASP 42 HA ASP 42 -4.294 -2.462 -9.814 309 HB2 ASP 42 2HB ASP 42 -6.499 -3.263 -7.857 310 HB3 ASP 42 1HB ASP 42 -6.698 -2.087 -9.158 311 H ILE 43 H ILE 43 -4.554 -2.552 -6.285 312 HA ILE 43 HA ILE 43 -4.747 0.209 -5.727 313 HB ILE 43 HB ILE 43 -3.447 -2.030 -4.100 314 HG12 ILE 43 2HG1 ILE 43 -6.254 -0.839 -3.913 315 HG13 ILE 43 1HG1 ILE 43 -5.852 -2.420 -4.581 316 HG21 ILE 43 1HG2 ILE 43 -3.684 -0.604 -2.104 317 HG22 ILE 43 2HG2 ILE 43 -4.256 0.728 -3.111 318 HG23 ILE 43 3HG2 ILE 43 -2.607 0.129 -3.293 319 HD11 ILE 43 3HD1 ILE 43 -5.036 -3.121 -2.367 320 HD12 ILE 43 1HD1 ILE 43 -6.735 -2.650 -2.368 321 HD13 ILE 43 2HD1 ILE 43 -5.525 -1.553 -1.716 322 H ALA 44 H ALA 44 -1.967 -1.937 -5.982 323 HA ALA 44 HA ALA 44 0.095 -0.192 -5.239 324 HB1 ALA 44 3HB ALA 44 0.347 -2.649 -5.192 325 HB2 ALA 44 1HB ALA 44 1.622 -1.905 -6.163 326 HB3 ALA 44 2HB ALA 44 0.257 -2.699 -6.953 327 H PHE 45 H PHE 45 -1.260 -1.099 -8.356 328 HA PHE 45 HA PHE 45 0.528 0.430 -9.967 329 HB2 PHE 45 2HB PHE 45 -0.762 -1.565 -10.793 330 HB3 PHE 45 1HB PHE 45 -2.234 -0.601 -10.744 331 HD1 PHE 45 HD2 PHE 45 1.250 -0.394 -12.154 332 HD2 PHE 45 HD1 PHE 45 -2.911 0.379 -12.786 333 HE1 PHE 45 HE2 PHE 45 1.737 0.391 -14.432 334 HE2 PHE 45 HE1 PHE 45 -2.411 1.162 -15.063 335 HZ PHE 45 HZ PHE 45 -0.090 1.168 -15.890 336 H ALA 46 H ALA 46 -2.632 1.089 -8.533 337 HA ALA 46 HA ALA 46 -3.092 3.609 -9.816 338 HB1 ALA 46 3HB ALA 46 -4.928 2.342 -8.806 339 HB2 ALA 46 1HB ALA 46 -4.815 3.945 -8.076 340 HB3 ALA 46 2HB ALA 46 -4.205 2.531 -7.208 341 H ILE 47 H ILE 47 -1.257 2.588 -7.036 342 HA ILE 47 HA ILE 47 -0.702 5.203 -5.941 343 HB ILE 47 HB ILE 47 0.432 2.422 -5.438 344 HG12 ILE 47 2HG1 ILE 47 -1.211 4.239 -3.613 345 HG13 ILE 47 1HG1 ILE 47 -1.913 2.993 -4.636 346 HG21 ILE 47 1HG2 ILE 47 2.284 3.968 -5.033 347 HG22 ILE 47 2HG2 ILE 47 1.693 3.316 -3.507 348 HG23 ILE 47 3HG2 ILE 47 1.264 4.959 -3.985 349 HD11 ILE 47 3HD1 ILE 47 -0.776 1.273 -3.398 350 HD12 ILE 47 1HD1 ILE 47 -1.689 2.312 -2.304 351 HD13 ILE 47 2HD1 ILE 47 0.058 2.485 -2.424 352 H ASP 48 H ASP 48 0.974 2.880 -8.057 353 HA ASP 48 HA ASP 48 3.387 4.171 -8.592 354 HB2 ASP 48 2HB ASP 48 1.618 2.334 -10.244 355 HB3 ASP 48 1HB ASP 48 2.964 3.118 -11.051 356 H LYS 49 H LYS 49 0.178 4.724 -9.919 357 HA LYS 49 HA LYS 49 1.000 6.730 -11.842 358 HB2 LYS 49 2HB LYS 49 -1.762 5.812 -10.940 359 HB3 LYS 49 1HB LYS 49 -1.452 6.891 -12.298 360 HG2 LYS 49 2HG LYS 49 -0.330 5.130 -13.529 361 HG3 LYS 49 1HG LYS 49 -0.383 4.055 -12.133 362 HD2 LYS 49 2HD LYS 49 -2.096 3.410 -13.756 363 HD3 LYS 49 1HD LYS 49 -2.855 3.987 -12.270 364 HE2 LYS 49 2HE LYS 49 -3.138 6.237 -13.409 365 HE3 LYS 49 1HE LYS 49 -2.575 5.478 -14.899 366 HZ1 LYS 49 3HZ LYS 49 -4.984 4.733 -13.342 367 HZ2 LYS 49 1HZ LYS 49 -4.443 3.929 -14.730 368 HZ3 LYS 49 2HZ LYS 49 -4.954 5.535 -14.827 369 H ALA 50 H ALA 50 -0.838 6.733 -8.760 370 HA ALA 50 HA ALA 50 -1.662 9.454 -8.878 371 HB1 ALA 50 3HB ALA 50 -2.889 7.794 -7.548 372 HB2 ALA 50 1HB ALA 50 -2.409 9.165 -6.546 373 HB3 ALA 50 2HB ALA 50 -1.521 7.639 -6.446 374 H PHE 51 H PHE 51 0.874 7.835 -6.995 375 HA PHE 51 HA PHE 51 1.912 10.335 -5.915 376 HB2 PHE 51 2HB PHE 51 2.853 7.449 -5.580 377 HB3 PHE 51 1HB PHE 51 3.534 8.835 -4.733 378 HD1 PHE 51 HD1 PHE 51 0.380 6.871 -5.165 379 HD2 PHE 51 HD2 PHE 51 2.535 9.630 -2.707 380 HE1 PHE 51 HE1 PHE 51 -1.302 6.606 -3.392 381 HE2 PHE 51 HE2 PHE 51 0.844 9.352 -0.940 382 HZ PHE 51 HZ PHE 51 -1.068 7.844 -1.281 383 H GLY 52 H GLY 52 2.533 8.194 -8.579 384 HA2 GLY 52 2HA GLY 52 3.899 8.437 -10.417 385 HA3 GLY 52 1HA GLY 52 4.485 9.959 -9.755 386 H ILE 53 H ILE 53 4.562 6.585 -8.649 387 HA ILE 53 HA ILE 53 7.509 6.676 -8.320 388 HB ILE 53 HB ILE 53 7.255 5.440 -6.139 389 HG12 ILE 53 2HG1 ILE 53 4.289 6.156 -6.412 390 HG13 ILE 53 1HG1 ILE 53 4.967 4.531 -6.507 391 HG21 ILE 53 1HG2 ILE 53 6.691 7.393 -4.749 392 HG22 ILE 53 2HG2 ILE 53 5.975 8.196 -6.148 393 HG23 ILE 53 3HG2 ILE 53 7.706 7.853 -6.118 394 HD11 ILE 53 3HD1 ILE 53 3.919 4.932 -4.373 395 HD12 ILE 53 1HD1 ILE 53 4.964 6.317 -4.077 396 HD13 ILE 53 2HD1 ILE 53 5.650 4.692 -4.162 397 H LYS 54 H LYS 54 8.241 4.310 -7.632 398 HA LYS 54 HA LYS 54 6.735 2.261 -9.138 399 HB2 LYS 54 2HB LYS 54 9.061 2.474 -9.910 400 HB3 LYS 54 1HB LYS 54 9.661 2.297 -8.262 401 HG2 LYS 54 2HG LYS 54 8.786 -0.019 -8.187 402 HG3 LYS 54 1HG LYS 54 8.170 0.161 -9.833 403 HD2 LYS 54 2HD LYS 54 10.465 0.408 -10.686 404 HD3 LYS 54 1HD LYS 54 11.110 0.329 -9.043 405 HE2 LYS 54 2HE LYS 54 10.300 -1.984 -8.823 406 HE3 LYS 54 1HE LYS 54 9.588 -1.905 -10.435 407 HZ1 LYS 54 3HZ LYS 54 11.737 -3.048 -10.393 408 HZ2 LYS 54 1HZ LYS 54 12.484 -1.625 -9.855 409 HZ3 LYS 54 2HZ LYS 54 11.764 -1.675 -11.384 410 H LEU 55 H LEU 55 5.337 1.269 -7.779 411 HA LEU 55 HA LEU 55 6.310 0.336 -5.137 412 HB2 LEU 55 2HB LEU 55 4.047 1.573 -5.373 413 HB3 LEU 55 1HB LEU 55 3.447 0.140 -6.190 414 HG LEU 55 HG LEU 55 4.550 0.116 -3.342 415 HD11 LEU 55 1HD1 LEU 55 2.606 1.553 -3.358 416 HD12 LEU 55 2HD1 LEU 55 2.220 0.039 -2.547 417 HD13 LEU 55 3HD1 LEU 55 1.648 0.326 -4.193 418 HD21 LEU 55 3HD2 LEU 55 2.913 -1.986 -4.806 419 HD22 LEU 55 1HD2 LEU 55 3.356 -2.040 -3.095 420 HD23 LEU 55 2HD2 LEU 55 4.608 -2.106 -4.330 421 HA PRO 56 HA PRO 56 6.737 -3.423 -7.769 422 HB2 PRO 56 2HB PRO 56 9.008 -4.417 -6.693 423 HB3 PRO 56 1HB PRO 56 9.049 -3.021 -7.781 424 HG2 PRO 56 2HG PRO 56 9.241 -3.103 -4.778 425 HG3 PRO 56 1HG PRO 56 10.134 -2.089 -5.930 426 HD2 PRO 56 2HD PRO 56 7.877 -1.276 -4.476 427 HD3 PRO 56 1HD PRO 56 8.476 -0.484 -5.951 428 H LEU 57 H LEU 57 4.743 -4.067 -6.728 429 HA LEU 57 HA LEU 57 4.594 -5.247 -4.142 430 HB2 LEU 57 2HB LEU 57 2.579 -4.421 -5.346 431 HB3 LEU 57 1HB LEU 57 2.760 -5.713 -6.525 432 HG LEU 57 HG LEU 57 2.382 -7.400 -4.718 433 HD11 LEU 57 1HD1 LEU 57 3.197 -6.164 -2.781 434 HD12 LEU 57 2HD1 LEU 57 1.545 -6.716 -2.513 435 HD13 LEU 57 3HD1 LEU 57 1.850 -5.024 -2.910 436 HD21 LEU 57 3HD2 LEU 57 0.499 -6.725 -6.080 437 HD22 LEU 57 1HD2 LEU 57 0.176 -5.354 -5.016 438 HD23 LEU 57 2HD2 LEU 57 -0.030 -7.003 -4.425 439 H GLU 58 H GLU 58 5.460 -6.454 -7.278 440 HA GLU 58 HA GLU 58 5.390 -9.225 -6.977 441 HB2 GLU 58 2HB GLU 58 7.088 -9.267 -8.752 442 HB3 GLU 58 1HB GLU 58 5.846 -8.076 -9.117 443 HG2 GLU 58 2HG GLU 58 7.460 -6.335 -8.113 444 HG3 GLU 58 1HG GLU 58 8.695 -7.586 -8.202 445 H LYS 59 H LYS 59 7.786 -6.869 -5.913 446 HA LYS 59 HA LYS 59 9.693 -8.789 -4.923 447 HB2 LYS 59 2HB LYS 59 10.566 -6.700 -5.792 448 HB3 LYS 59 1HB LYS 59 9.511 -5.751 -4.744 449 HG2 LYS 59 2HG LYS 59 10.747 -6.448 -2.774 450 HG3 LYS 59 1HG LYS 59 11.713 -7.577 -3.731 451 HD2 LYS 59 2HD LYS 59 12.745 -5.699 -4.935 452 HD3 LYS 59 1HD LYS 59 11.741 -4.549 -4.039 453 HE2 LYS 59 2HE LYS 59 14.061 -4.735 -3.135 454 HE3 LYS 59 1HE LYS 59 12.827 -5.162 -1.953 455 HZ1 LYS 59 3HZ LYS 59 13.267 -7.498 -2.366 456 HZ2 LYS 59 1HZ LYS 59 14.695 -6.701 -1.928 457 HZ3 LYS 59 2HZ LYS 59 14.414 -7.096 -3.544 458 H TRP 60 H TRP 60 7.370 -6.480 -3.514 459 HA TRP 60 HA TRP 60 8.047 -6.767 -0.806 460 HB2 TRP 60 2HB TRP 60 5.397 -5.932 -2.063 461 HB3 TRP 60 1HB TRP 60 5.761 -5.776 -0.349 462 HD1 TRP 60 HD1 TRP 60 8.700 -4.852 -2.542 463 HE1 TRP 60 HE1 TRP 60 8.951 -2.303 -2.636 464 HE3 TRP 60 HE3 TRP 60 4.284 -3.486 -0.327 465 HZ2 TRP 60 HZ2 TRP 60 7.538 -0.037 -1.882 466 HZ3 TRP 60 HZ3 TRP 60 3.832 -1.083 -0.044 467 HH2 TRP 60 HH2 TRP 60 5.428 0.608 -0.804 468 H THR 61 H THR 61 5.503 -8.372 -2.700 469 HA THR 61 HA THR 61 4.596 -10.183 -0.771 470 HB THR 61 HB THR 61 4.620 -10.499 -3.813 471 HG1 THR 61 HG1 THR 61 3.350 -8.800 -3.583 472 HG21 THR 61 3HG2 THR 61 2.645 -11.976 -3.442 473 HG22 THR 61 1HG2 THR 61 2.850 -11.829 -1.698 474 HG23 THR 61 2HG2 THR 61 4.083 -12.641 -2.669 475 H GLN 62 H GLN 62 7.252 -10.449 -3.160 476 HA GLN 62 HA GLN 62 7.863 -13.182 -2.779 477 HB2 GLN 62 2HB GLN 62 8.683 -12.107 -4.772 478 HB3 GLN 62 1HB GLN 62 9.521 -10.865 -3.856 479 HG2 GLN 62 2HG GLN 62 11.076 -12.494 -4.868 480 HG3 GLN 62 1HG GLN 62 11.193 -12.470 -3.108 481 HE21 GLN 62 1HE2 GLN 62 12.094 -14.525 -2.995 482 HE22 GLN 62 2HE2 GLN 62 11.202 -15.966 -3.333 483 H GLU 63 H GLU 63 8.957 -10.281 -1.077 484 HA GLU 63 HA GLU 63 11.001 -11.357 0.488 485 HB2 GLU 63 2HB GLU 63 9.002 -9.222 1.339 486 HB3 GLU 63 1HB GLU 63 10.585 -9.510 2.055 487 HG2 GLU 63 2HG GLU 63 9.965 -8.399 -0.689 488 HG3 GLU 63 1HG GLU 63 10.705 -7.559 0.665 489 H VAL 64 H VAL 64 7.494 -11.364 0.944 490 HA VAL 64 HA VAL 64 7.501 -12.708 3.472 491 HB VAL 64 HB VAL 64 5.231 -12.612 1.446 492 HG11 VAL 64 1HG1 VAL 64 5.171 -13.108 4.460 493 HG12 VAL 64 2HG1 VAL 64 4.889 -14.315 3.201 494 HG13 VAL 64 3HG1 VAL 64 3.757 -12.984 3.410 495 HG21 VAL 64 3HG2 VAL 64 6.020 -10.333 1.948 496 HG22 VAL 64 1HG2 VAL 64 5.858 -10.640 3.678 497 HG23 VAL 64 2HG2 VAL 64 4.422 -10.597 2.651 498 H ASN 65 H ASN 65 7.046 -13.723 0.113 499 HA ASN 65 HA ASN 65 6.494 -16.442 0.426 500 HB2 ASN 65 2HB ASN 65 7.877 -15.049 -1.915 501 HB3 ASN 65 1HB ASN 65 7.235 -16.684 -1.977 502 HD21 ASN 65 1HD2 ASN 65 6.530 -14.429 -3.641 503 HD22 ASN 65 2HD2 ASN 65 4.835 -14.165 -3.426 504 H ASP 66 H ASP 66 9.585 -14.792 0.509 505 HA ASP 66 HA ASP 66 11.108 -17.309 0.391 506 HB2 ASP 66 2HB ASP 66 11.649 -15.138 -0.981 507 HB3 ASP 66 1HB ASP 66 12.263 -14.493 0.533 508 H GLY 67 H GLY 67 9.777 -15.189 2.710 509 HA2 GLY 67 2HA GLY 67 9.902 -15.249 5.025 510 HA3 GLY 67 1HA GLY 67 11.228 -16.398 4.933 511 H LYS 68 H LYS 68 11.632 -13.572 3.040 512 HA LYS 68 HA LYS 68 13.781 -12.461 4.558 513 HB2 LYS 68 2HB LYS 68 12.123 -11.265 2.304 514 HB3 LYS 68 1HB LYS 68 13.613 -10.566 2.923 515 HG2 LYS 68 2HG LYS 68 13.403 -13.288 1.598 516 HG3 LYS 68 1HG LYS 68 13.865 -11.794 0.773 517 HD2 LYS 68 2HD LYS 68 15.799 -11.603 2.392 518 HD3 LYS 68 1HD LYS 68 15.367 -13.199 3.016 519 HE2 LYS 68 2HE LYS 68 15.761 -14.182 0.790 520 HE3 LYS 68 1HE LYS 68 16.152 -12.583 0.144 521 HZ1 LYS 68 3HZ LYS 68 18.110 -13.901 0.705 522 HZ2 LYS 68 1HZ LYS 68 17.632 -13.940 2.324 523 HZ3 LYS 68 2HZ LYS 68 18.033 -12.467 1.597 524 H ALA 69 H ALA 69 10.325 -11.969 4.552 525 HA ALA 69 HA ALA 69 10.334 -9.918 6.598 526 HB1 ALA 69 3HB ALA 69 9.386 -9.172 3.798 527 HB2 ALA 69 1HB ALA 69 10.848 -8.563 4.580 528 HB3 ALA 69 2HB ALA 69 9.263 -8.166 5.241 529 H THR 70 H THR 70 8.040 -9.093 6.927 530 HA THR 70 HA THR 70 6.068 -11.289 6.613 531 HB THR 70 HB THR 70 6.546 -10.872 8.965 532 HG1 THR 70 HG1 THR 70 4.403 -11.324 8.689 533 HG21 THR 70 3HG2 THR 70 7.393 -8.547 8.830 534 HG22 THR 70 1HG2 THR 70 6.135 -8.696 10.060 535 HG23 THR 70 2HG2 THR 70 5.757 -7.974 8.496 536 H THR 71 H THR 71 3.921 -10.749 6.125 537 HA THR 71 HA THR 71 3.382 -8.729 4.241 538 HB THR 71 HB THR 71 0.924 -9.297 4.677 539 HG1 THR 71 HG1 THR 71 1.157 -11.509 6.054 540 HG21 THR 71 3HG2 THR 71 2.750 -11.660 4.158 541 HG22 THR 71 1HG2 THR 71 2.178 -10.510 2.946 542 HG23 THR 71 2HG2 THR 71 1.034 -11.574 3.767 543 H GLU 72 H GLU 72 3.131 -8.785 7.739 544 HA GLU 72 HA GLU 72 1.481 -6.597 8.259 545 HB2 GLU 72 2HB GLU 72 2.241 -8.087 10.048 546 HB3 GLU 72 1HB GLU 72 3.916 -7.615 9.788 547 HG2 GLU 72 2HG GLU 72 3.395 -5.322 10.558 548 HG3 GLU 72 1HG GLU 72 1.716 -5.799 10.814 549 H GLN 73 H GLN 73 4.976 -6.647 7.535 550 HA GLN 73 HA GLN 73 5.464 -3.925 8.191 551 HB2 GLN 73 2HB GLN 73 7.151 -5.860 8.112 552 HB3 GLN 73 1HB GLN 73 7.209 -5.632 6.370 553 HG2 GLN 73 2HG GLN 73 7.777 -3.319 8.235 554 HG3 GLN 73 1HG GLN 73 9.014 -4.528 7.923 555 HE21 GLN 73 1HE2 GLN 73 8.446 -4.974 5.173 556 HE22 GLN 73 2HE2 GLN 73 8.921 -3.557 4.310 557 H TYR 74 H TYR 74 4.174 -5.434 5.360 558 HA TYR 74 HA TYR 74 4.460 -2.957 3.761 559 HB2 TYR 74 2HB TYR 74 3.541 -5.715 2.816 560 HB3 TYR 74 1HB TYR 74 3.914 -4.320 1.804 561 HD1 TYR 74 HD1 TYR 74 6.336 -3.378 1.934 562 HD2 TYR 74 HD2 TYR 74 5.258 -7.276 3.314 563 HE1 TYR 74 HE1 TYR 74 8.682 -4.064 1.845 564 HE2 TYR 74 HE2 TYR 74 7.616 -7.957 3.210 565 HH TYR 74 HH TYR 74 9.669 -7.310 2.187 566 H PHE 75 H PHE 75 1.950 -5.475 3.998 567 HA PHE 75 HA PHE 75 -0.016 -3.936 2.759 568 HB2 PHE 75 2HB PHE 75 -0.240 -6.510 4.349 569 HB3 PHE 75 1HB PHE 75 -1.558 -5.837 3.398 570 HD1 PHE 75 HD1 PHE 75 1.847 -7.349 3.176 571 HD2 PHE 75 HD2 PHE 75 -1.628 -6.127 1.007 572 HE1 PHE 75 HE1 PHE 75 2.676 -8.528 1.183 573 HE2 PHE 75 HE2 PHE 75 -0.791 -7.305 -0.988 574 HZ PHE 75 HZ PHE 75 1.361 -8.504 -0.906 575 H VAL 76 H VAL 76 0.636 -4.149 6.259 576 HA VAL 76 HA VAL 76 -1.841 -3.080 7.175 577 HB VAL 76 HB VAL 76 0.937 -2.721 8.394 578 HG11 VAL 76 1HG1 VAL 76 -0.205 -2.132 10.511 579 HG12 VAL 76 2HG1 VAL 76 -1.760 -2.173 9.672 580 HG13 VAL 76 3HG1 VAL 76 -0.551 -0.963 9.236 581 HG21 VAL 76 3HG2 VAL 76 0.256 -5.081 8.277 582 HG22 VAL 76 1HG2 VAL 76 -1.269 -4.703 9.092 583 HG23 VAL 76 2HG2 VAL 76 0.264 -4.519 9.946 584 H LEU 77 H LEU 77 -2.608 -0.929 7.171 585 HA LEU 77 HA LEU 77 -1.767 0.439 4.858 586 HB2 LEU 77 2HB LEU 77 -3.694 1.410 6.979 587 HB3 LEU 77 1HB LEU 77 -3.528 2.079 5.361 588 HG LEU 77 HG LEU 77 -4.673 -0.615 6.165 589 HD11 LEU 77 1HD1 LEU 77 -6.641 0.128 4.909 590 HD12 LEU 77 2HD1 LEU 77 -5.840 1.658 4.542 591 HD13 LEU 77 3HD1 LEU 77 -6.233 1.243 6.212 592 HD21 LEU 77 3HD2 LEU 77 -3.214 -1.130 4.305 593 HD22 LEU 77 1HD2 LEU 77 -3.871 0.210 3.358 594 HD23 LEU 77 2HD2 LEU 77 -4.885 -1.178 3.760 595 H LYS 78 H LYS 78 -1.290 1.313 8.293 596 HA LYS 78 HA LYS 78 0.005 3.792 7.802 597 HB2 LYS 78 2HB LYS 78 0.862 3.625 10.138 598 HB3 LYS 78 1HB LYS 78 -0.866 3.315 10.016 599 HG2 LYS 78 2HG LYS 78 -0.447 0.882 10.166 600 HG3 LYS 78 1HG LYS 78 1.285 1.193 10.328 601 HD2 LYS 78 2HD LYS 78 0.918 2.348 12.455 602 HD3 LYS 78 1HD LYS 78 -0.836 2.219 12.260 603 HE2 LYS 78 2HE LYS 78 -0.061 0.537 13.848 604 HE3 LYS 78 1HE LYS 78 -0.639 -0.263 12.389 605 HZ1 LYS 78 3HZ LYS 78 1.386 -1.276 13.116 606 HZ2 LYS 78 1HZ LYS 78 2.196 0.208 13.154 607 HZ3 LYS 78 2HZ LYS 78 1.710 -0.455 11.674 608 H ASN 79 H ASN 79 1.250 0.489 7.958 609 HA ASN 79 HA ASN 79 4.041 1.115 7.864 610 HB2 ASN 79 2HB ASN 79 2.512 -1.455 7.209 611 HB3 ASN 79 1HB ASN 79 4.266 -1.351 7.298 612 HD21 ASN 79 1HD2 ASN 79 4.234 -2.941 8.948 613 HD22 ASN 79 2HD2 ASN 79 3.802 -2.556 10.570 614 H LEU 80 H LEU 80 1.727 0.004 5.468 615 HA LEU 80 HA LEU 80 3.053 0.129 3.089 616 HB2 LEU 80 2HB LEU 80 0.758 -0.736 3.420 617 HB3 LEU 80 1HB LEU 80 0.181 0.879 3.761 618 HG LEU 80 HG LEU 80 0.625 1.547 1.411 619 HD11 LEU 80 1HD1 LEU 80 1.171 -0.145 -0.289 620 HD12 LEU 80 2HD1 LEU 80 1.400 -1.356 0.974 621 HD13 LEU 80 3HD1 LEU 80 2.479 0.040 0.879 622 HD21 LEU 80 3HD2 LEU 80 -1.129 -0.926 1.676 623 HD22 LEU 80 1HD2 LEU 80 -1.236 0.299 0.410 624 HD23 LEU 80 2HD2 LEU 80 -1.609 0.727 2.078 625 H ALA 81 H ALA 81 1.345 2.719 4.809 626 HA ALA 81 HA ALA 81 1.774 4.820 2.964 627 HB1 ALA 81 3HB ALA 81 0.042 4.915 4.710 628 HB2 ALA 81 1HB ALA 81 1.103 6.321 4.797 629 HB3 ALA 81 2HB ALA 81 1.286 5.001 5.959 630 H ALA 82 H ALA 82 3.742 3.501 5.559 631 HA ALA 82 HA ALA 82 5.682 5.620 5.652 632 HB1 ALA 82 3HB ALA 82 6.987 4.071 7.054 633 HB2 ALA 82 1HB ALA 82 5.887 2.753 6.636 634 HB3 ALA 82 2HB ALA 82 5.301 4.125 7.576 635 H ARG 83 H ARG 83 5.556 2.411 4.097 636 HA ARG 83 HA ARG 83 8.025 2.362 2.799 637 HB2 ARG 83 2HB ARG 83 5.356 1.166 1.947 638 HB3 ARG 83 1HB ARG 83 6.887 0.791 1.163 639 HG2 ARG 83 2HG ARG 83 6.141 0.158 4.043 640 HG3 ARG 83 1HG ARG 83 6.249 -0.990 2.700 641 HD2 ARG 83 2HD ARG 83 8.529 0.582 3.961 642 HD3 ARG 83 1HD ARG 83 8.265 -1.162 4.037 643 HE ARG 83 HE ARG 83 8.673 -1.171 1.571 644 HH11 ARG 83 1HH1 ARG 83 10.043 1.463 3.467 645 HH12 ARG 83 2HH1 ARG 83 11.340 1.727 2.350 646 HH21 ARG 83 1HH2 ARG 83 10.380 -0.767 0.125 647 HH22 ARG 83 2HH2 ARG 83 11.532 0.478 0.482 648 H ILE 84 H ILE 84 4.920 3.562 1.645 649 HA ILE 84 HA ILE 84 5.789 4.419 -0.938 650 HB ILE 84 HB ILE 84 3.292 5.020 0.696 651 HG12 ILE 84 2HG1 ILE 84 3.658 3.195 -1.723 652 HG13 ILE 84 1HG1 ILE 84 3.744 2.638 -0.055 653 HG21 ILE 84 1HG2 ILE 84 2.210 5.857 -1.365 654 HG22 ILE 84 2HG2 ILE 84 3.747 5.749 -2.219 655 HG23 ILE 84 3HG2 ILE 84 3.564 6.882 -0.880 656 HD11 ILE 84 3HD1 ILE 84 1.430 3.277 0.288 657 HD12 ILE 84 1HD1 ILE 84 1.606 2.156 -1.060 658 HD13 ILE 84 2HD1 ILE 84 1.336 3.869 -1.374 659 H ASP 85 H ASP 85 5.170 6.150 2.125 660 HA ASP 85 HA ASP 85 5.966 8.701 1.522 661 HB2 ASP 85 2HB ASP 85 5.129 7.884 3.744 662 HB3 ASP 85 1HB ASP 85 6.711 7.198 4.068 663 H GLU 86 H GLU 86 8.076 5.890 2.121 664 HA GLU 86 HA GLU 86 10.534 7.341 1.968 665 HB2 GLU 86 2HB GLU 86 10.312 5.113 3.081 666 HB3 GLU 86 1HB GLU 86 10.060 4.369 1.503 667 HG2 GLU 86 2HG GLU 86 12.331 5.157 0.821 668 HG3 GLU 86 1HG GLU 86 12.574 5.796 2.443 669 H LEU 87 H LEU 87 8.589 5.545 -0.412 670 HA LEU 87 HA LEU 87 10.349 5.690 -2.618 671 HB2 LEU 87 2HB LEU 87 7.310 5.483 -2.592 672 HB3 LEU 87 1HB LEU 87 8.318 5.188 -4.002 673 HG LEU 87 HG LEU 87 8.401 3.542 -1.435 674 HD11 LEU 87 1HD1 LEU 87 7.120 2.836 -4.093 675 HD12 LEU 87 2HD1 LEU 87 6.278 3.204 -2.587 676 HD13 LEU 87 3HD1 LEU 87 7.281 1.761 -2.699 677 HD21 LEU 87 3HD2 LEU 87 9.797 1.963 -2.698 678 HD22 LEU 87 1HD2 LEU 87 10.561 3.546 -2.589 679 HD23 LEU 87 2HD2 LEU 87 9.788 3.045 -4.096 680 H VAL 88 H VAL 88 7.768 7.936 -1.569 681 HA VAL 88 HA VAL 88 8.244 9.820 -3.731 682 HB VAL 88 HB VAL 88 6.620 11.311 -2.666 683 HG11 VAL 88 1HG1 VAL 88 5.631 8.431 -2.609 684 HG12 VAL 88 2HG1 VAL 88 5.709 9.480 -4.026 685 HG13 VAL 88 3HG1 VAL 88 4.611 9.871 -2.704 686 HG21 VAL 88 3HG2 VAL 88 6.557 9.375 -0.312 687 HG22 VAL 88 1HG2 VAL 88 5.508 10.781 -0.522 688 HG23 VAL 88 2HG2 VAL 88 7.242 11.001 -0.293 689 H ALA 89 H ALA 89 9.545 9.292 -0.533 690 HA ALA 89 HA ALA 89 10.840 11.833 -0.243 691 HB1 ALA 89 3HB ALA 89 10.560 10.304 1.684 692 HB2 ALA 89 1HB ALA 89 12.256 10.729 1.442 693 HB3 ALA 89 2HB ALA 89 11.658 9.149 0.925 694 H ALA 90 H ALA 90 11.761 8.713 -1.658 695 HA ALA 90 HA ALA 90 14.370 9.052 -2.370 696 HB1 ALA 90 3HB ALA 90 12.258 7.650 -4.032 697 HB2 ALA 90 1HB ALA 90 13.124 6.953 -2.661 698 HB3 ALA 90 2HB ALA 90 14.002 7.385 -4.131 699 H LYS 91 H LYS 91 11.563 10.075 -4.358 700 HA LYS 91 HA LYS 91 13.093 11.126 -6.519 701 HB2 LYS 91 2HB LYS 91 11.040 12.190 -7.293 702 HB3 LYS 91 1HB LYS 91 10.694 10.553 -6.747 703 HG2 LYS 91 2HG LYS 91 9.732 11.418 -4.672 704 HG3 LYS 91 1HG LYS 91 10.173 13.063 -5.122 705 HD2 LYS 91 2HD LYS 91 7.800 12.712 -5.538 706 HD3 LYS 91 1HD LYS 91 8.649 12.932 -7.071 707 HE2 LYS 91 2HE LYS 91 8.654 10.461 -7.385 708 HE3 LYS 91 1HE LYS 91 7.740 10.288 -5.881 709 HZ1 LYS 91 3HZ LYS 91 6.848 11.768 -8.291 710 HZ2 LYS 91 1HZ LYS 91 5.959 11.580 -6.868 711 HZ3 LYS 91 2HZ LYS 91 6.318 10.235 -7.825 712 H GLY 92 H GLY 92 11.771 12.650 -3.579 713 HA2 GLY 92 2HA GLY 92 12.589 15.313 -4.032 714 HA3 GLY 92 1HA GLY 92 12.292 14.580 -2.466 715 H ALA 93 H ALA 93 14.343 12.514 -2.976 716 HA ALA 93 HA ALA 93 16.680 13.905 -2.000 717 HB1 ALA 93 3HB ALA 93 16.266 10.971 -2.658 718 HB2 ALA 93 1HB ALA 93 16.054 11.714 -1.070 719 HB3 ALA 93 2HB ALA 93 17.657 11.651 -1.808 720 H LEU 94 H LEU 94 15.692 12.188 -4.949 721 HA LEU 94 HA LEU 94 18.057 12.305 -6.451 722 HB2 LEU 94 2HB LEU 94 15.165 12.406 -7.405 723 HB3 LEU 94 1HB LEU 94 16.544 12.175 -8.472 724 HG LEU 94 HG LEU 94 15.672 10.253 -6.276 725 HD11 LEU 94 1HD1 LEU 94 15.021 8.747 -8.109 726 HD12 LEU 94 2HD1 LEU 94 15.414 9.999 -9.293 727 HD13 LEU 94 3HD1 LEU 94 14.099 10.246 -8.138 728 HD21 LEU 94 3HD2 LEU 94 18.089 10.173 -6.549 729 HD22 LEU 94 1HD2 LEU 94 17.926 9.989 -8.297 730 HD23 LEU 94 2HD2 LEU 94 17.364 8.713 -7.212 731 H GLU 95 H GLU 95 15.547 14.724 -5.909 732 HA GLU 95 HA GLU 95 16.385 16.689 -7.779 733 HB2 GLU 95 2HB GLU 95 14.871 16.969 -5.146 734 HB3 GLU 95 1HB GLU 95 15.088 18.291 -6.294 735 HG2 GLU 95 2HG GLU 95 13.825 17.018 -7.993 736 HG3 GLU 95 1HG GLU 95 13.621 15.689 -6.851 737 H HIS 96 H HIS 96 18.284 17.698 -7.783 738 HA HIS 96 HA HIS 96 19.418 18.757 -5.304 739 HB2 HIS 96 2HB HIS 96 21.712 18.048 -5.913 740 HB3 HIS 96 1HB HIS 96 20.663 16.679 -5.608 741 HD1 HIS 96 HD1 HIS 96 20.130 15.105 -7.595 742 HD2 HIS 96 HD2 HIS 96 22.753 18.181 -8.555 743 HE1 HIS 96 HE1 HIS 96 21.151 14.451 -9.791 744 HE2 HIS 96 HE2 HIS 96 22.851 16.248 -10.271 745 H HIS 97 H HIS 97 19.431 20.878 -5.608 746 HA HIS 97 HA HIS 97 19.936 22.096 -8.212 747 HB2 HIS 97 2HB HIS 97 19.843 24.290 -6.803 748 HB3 HIS 97 1HB HIS 97 18.366 23.360 -6.995 749 HD1 HIS 97 HD1 HIS 97 17.202 22.595 -4.924 750 HD2 HIS 97 HD2 HIS 97 21.015 24.039 -4.115 751 HE1 HIS 97 HE1 HIS 97 17.376 22.654 -2.420 752 HE2 HIS 97 HE2 HIS 97 19.677 23.569 -1.953 753 H HIS 98 H HIS 98 21.932 20.933 -8.426 754 HA HIS 98 HA HIS 98 24.269 22.422 -7.524 755 HB2 HIS 98 2HB HIS 98 23.805 19.495 -6.794 756 HB3 HIS 98 1HB HIS 98 25.429 20.152 -6.937 757 HD1 HIS 98 HD1 HIS 98 22.819 19.666 -4.531 758 HD2 HIS 98 HD2 HIS 98 25.800 22.499 -5.105 759 HE1 HIS 98 HE1 HIS 98 23.076 20.816 -2.322 760 HE2 HIS 98 HE2 HIS 98 24.740 22.651 -2.745 761 H HIS 99 H HIS 99 25.736 22.538 -9.095 762 HA HIS 99 HA HIS 99 25.015 21.877 -11.738 763 HB2 HIS 99 2HB HIS 99 27.180 22.876 -12.389 764 HB3 HIS 99 1HB HIS 99 26.360 23.866 -11.192 765 HD1 HIS 99 HD1 HIS 99 29.513 22.059 -11.821 766 HD2 HIS 99 HD2 HIS 99 27.581 23.779 -8.571 767 HE1 HIS 99 HE1 HIS 99 31.246 22.215 -10.015 768 HE2 HIS 99 HE2 HIS 99 30.015 23.125 -8.013 769 H HIS 100 H HIS 100 27.282 20.325 -9.502 770 HA HIS 100 HA HIS 100 27.326 17.886 -11.030 771 HB2 HIS 100 2HB HIS 100 29.056 19.195 -12.255 772 HB3 HIS 100 1HB HIS 100 29.947 19.434 -10.760 773 HD1 HIS 100 HD1 HIS 100 31.337 17.418 -9.877 774 HD2 HIS 100 HD2 HIS 100 29.291 16.632 -13.408 775 HE1 HIS 100 HE1 HIS 100 32.313 15.277 -10.755 776 HE2 HIS 100 HE2 HIS 100 30.997 14.778 -12.846 777 H HIS 101 H HIS 101 26.931 16.553 -9.394 778 HA HIS 101 HA HIS 101 27.685 16.881 -6.705 779 HB2 HIS 101 2HB HIS 101 26.903 14.555 -6.374 780 HB3 HIS 101 1HB HIS 101 25.773 15.486 -7.341 781 HD1 HIS 101 HD1 HIS 101 27.535 12.334 -7.294 782 HD2 HIS 101 HD2 HIS 101 26.024 14.838 -10.242 783 HE1 HIS 101 HE1 HIS 101 27.369 10.920 -9.363 784 HE2 HIS 101 HE2 HIS 101 26.236 12.394 -11.050 Start of MODEL 11 1 H1 MET 1 1H MET 1 -0.768 19.239 5.126 2 H2 MET 1 2H MET 1 -0.243 18.689 6.631 3 H3 MET 1 3H MET 1 -0.968 20.208 6.502 4 HA MET 1 HA MET 1 -2.502 18.632 7.448 5 HB2 MET 1 2HB MET 1 -3.251 19.374 4.582 6 HB3 MET 1 1HB MET 1 -4.388 18.939 5.852 7 HG2 MET 1 2HG MET 1 -3.763 20.939 7.112 8 HG3 MET 1 1HG MET 1 -2.589 21.373 5.867 9 HE1 MET 1 3HE MET 1 -4.977 22.049 2.774 10 HE2 MET 1 1HE MET 1 -4.269 20.490 3.193 11 HE3 MET 1 2HE MET 1 -3.304 21.966 3.321 12 H THR 2 H THR 2 -2.288 17.744 3.996 13 HA THR 2 HA THR 2 -3.129 15.044 4.431 14 HB THR 2 HB THR 2 -1.962 16.302 1.900 15 HG1 THR 2 HG1 THR 2 -4.695 16.046 2.669 16 HG21 THR 2 3HG2 THR 2 -3.784 13.885 2.251 17 HG22 THR 2 1HG2 THR 2 -2.081 13.822 1.792 18 HG23 THR 2 2HG2 THR 2 -3.262 14.565 0.710 19 H SER 3 H SER 3 -1.914 13.243 4.641 20 HA SER 3 HA SER 3 1.016 13.384 4.241 21 HB2 SER 3 2HB SER 3 -0.521 11.703 6.276 22 HB3 SER 3 1HB SER 3 1.234 11.724 6.069 23 HG SER 3 HG SER 3 0.520 14.230 6.362 24 H THR 4 H THR 4 1.934 11.086 3.937 25 HA THR 4 HA THR 4 1.091 10.110 1.474 26 HB THR 4 HB THR 4 2.733 8.550 3.524 27 HG1 THR 4 HG1 THR 4 4.498 9.655 2.722 28 HG21 THR 4 3HG2 THR 4 2.708 8.409 0.479 29 HG22 THR 4 1HG2 THR 4 2.031 7.194 1.567 30 HG23 THR 4 2HG2 THR 4 3.768 7.490 1.548 31 H PHE 5 H PHE 5 0.150 9.072 4.749 32 HA PHE 5 HA PHE 5 -1.108 6.632 4.056 33 HB2 PHE 5 2HB PHE 5 -0.622 7.030 6.405 34 HB3 PHE 5 1HB PHE 5 -1.635 8.471 6.437 35 HD1 PHE 5 HD1 PHE 5 -1.812 4.746 5.898 36 HD2 PHE 5 HD2 PHE 5 -3.956 8.278 7.048 37 HE1 PHE 5 HE1 PHE 5 -3.787 3.392 6.446 38 HE2 PHE 5 HE2 PHE 5 -5.916 6.896 7.602 39 HZ PHE 5 HZ PHE 5 -5.839 4.453 7.296 40 H ASP 6 H ASP 6 -2.384 9.917 4.344 41 HA ASP 6 HA ASP 6 -5.125 9.419 4.046 42 HB2 ASP 6 2HB ASP 6 -4.120 11.593 4.755 43 HB3 ASP 6 1HB ASP 6 -3.547 11.865 3.112 44 H ARG 7 H ARG 7 -2.642 10.063 1.623 45 HA ARG 7 HA ARG 7 -4.222 10.001 -0.712 46 HB2 ARG 7 2HB ARG 7 -1.287 9.323 -0.299 47 HB3 ARG 7 1HB ARG 7 -2.037 9.553 -1.874 48 HG2 ARG 7 2HG ARG 7 -1.884 11.695 0.275 49 HG3 ARG 7 1HG ARG 7 -0.726 11.519 -1.047 50 HD2 ARG 7 2HD ARG 7 -2.539 11.879 -2.687 51 HD3 ARG 7 1HD ARG 7 -3.704 12.044 -1.367 52 HE ARG 7 HE ARG 7 -1.486 13.895 -1.202 53 HH11 ARG 7 1HH1 ARG 7 -4.695 13.428 -2.587 54 HH12 ARG 7 2HH1 ARG 7 -4.982 15.127 -2.781 55 HH21 ARG 7 1HH2 ARG 7 -1.881 16.097 -1.466 56 HH22 ARG 7 2HH2 ARG 7 -3.383 16.646 -2.141 57 H VAL 8 H VAL 8 -2.238 7.417 0.813 58 HA VAL 8 HA VAL 8 -2.826 5.321 -0.978 59 HB VAL 8 HB VAL 8 -2.108 5.107 1.983 60 HG11 VAL 8 1HG1 VAL 8 -1.296 2.814 1.449 61 HG12 VAL 8 2HG1 VAL 8 -1.913 2.979 -0.197 62 HG13 VAL 8 3HG1 VAL 8 -3.031 2.973 1.170 63 HG21 VAL 8 3HG2 VAL 8 0.221 4.816 1.238 64 HG22 VAL 8 1HG2 VAL 8 -0.424 6.365 0.688 65 HG23 VAL 8 2HG2 VAL 8 -0.281 5.023 -0.444 66 H ALA 9 H ALA 9 -4.519 6.442 1.892 67 HA ALA 9 HA ALA 9 -6.307 4.267 2.277 68 HB1 ALA 9 3HB ALA 9 -5.778 5.893 4.071 69 HB2 ALA 9 1HB ALA 9 -7.519 5.818 3.782 70 HB3 ALA 9 2HB ALA 9 -6.575 7.173 3.155 71 H THR 10 H THR 10 -6.651 7.464 0.718 72 HA THR 10 HA THR 10 -9.196 7.300 -0.374 73 HB THR 10 HB THR 10 -6.669 8.655 -1.383 74 HG1 THR 10 HG1 THR 10 -7.131 9.959 0.169 75 HG21 THR 10 3HG2 THR 10 -8.169 8.487 -3.314 76 HG22 THR 10 1HG2 THR 10 -8.114 10.156 -2.735 77 HG23 THR 10 2HG2 THR 10 -9.508 9.140 -2.362 78 H ILE 11 H ILE 11 -6.113 6.143 -1.729 79 HA ILE 11 HA ILE 11 -6.991 5.260 -4.253 80 HB ILE 11 HB ILE 11 -4.680 4.336 -2.504 81 HG12 ILE 11 2HG1 ILE 11 -4.495 6.650 -3.340 82 HG13 ILE 11 1HG1 ILE 11 -3.253 5.634 -4.058 83 HG21 ILE 11 1HG2 ILE 11 -5.217 3.449 -5.365 84 HG22 ILE 11 2HG2 ILE 11 -5.184 2.425 -3.927 85 HG23 ILE 11 3HG2 ILE 11 -3.700 3.186 -4.499 86 HD11 ILE 11 3HD1 ILE 11 -4.547 5.519 -6.131 87 HD12 ILE 11 1HD1 ILE 11 -4.190 7.182 -5.665 88 HD13 ILE 11 2HD1 ILE 11 -5.805 6.527 -5.402 89 H ILE 12 H ILE 12 -6.554 3.411 -1.240 90 HA ILE 12 HA ILE 12 -7.402 0.892 -2.199 91 HB ILE 12 HB ILE 12 -7.305 1.988 0.644 92 HG12 ILE 12 2HG1 ILE 12 -5.345 0.231 -0.902 93 HG13 ILE 12 1HG1 ILE 12 -5.121 1.932 -0.513 94 HG21 ILE 12 1HG2 ILE 12 -7.353 -0.364 1.450 95 HG22 ILE 12 2HG2 ILE 12 -7.664 -0.916 -0.198 96 HG23 ILE 12 3HG2 ILE 12 -8.852 0.089 0.635 97 HD11 ILE 12 3HD1 ILE 12 -3.797 0.526 0.926 98 HD12 ILE 12 1HD1 ILE 12 -5.232 -0.344 1.463 99 HD13 ILE 12 2HD1 ILE 12 -5.028 1.363 1.868 100 H ALA 13 H ALA 13 -9.139 3.558 -0.728 101 HA ALA 13 HA ALA 13 -11.629 2.419 -0.184 102 HB1 ALA 13 3HB ALA 13 -10.951 4.650 0.605 103 HB2 ALA 13 1HB ALA 13 -12.501 4.726 -0.234 104 HB3 ALA 13 2HB ALA 13 -11.028 5.272 -1.042 105 H GLU 14 H GLU 14 -10.566 4.149 -3.133 106 HA GLU 14 HA GLU 14 -13.063 3.652 -4.502 107 HB2 GLU 14 2HB GLU 14 -10.493 4.994 -5.447 108 HB3 GLU 14 1HB GLU 14 -12.013 4.962 -6.352 109 HG2 GLU 14 2HG GLU 14 -13.132 6.177 -4.520 110 HG3 GLU 14 1HG GLU 14 -11.620 6.212 -3.613 111 H THR 15 H THR 15 -9.887 2.086 -4.471 112 HA THR 15 HA THR 15 -10.210 0.700 -6.978 113 HB THR 15 HB THR 15 -8.346 -0.818 -6.017 114 HG1 THR 15 HG1 THR 15 -8.103 -0.622 -3.943 115 HG21 THR 15 3HG2 THR 15 -7.778 0.979 -7.561 116 HG22 THR 15 1HG2 THR 15 -6.561 0.869 -6.285 117 HG23 THR 15 2HG2 THR 15 -7.771 2.154 -6.237 118 H CYS 16 H CYS 16 -10.275 -0.452 -3.591 119 HA CYS 16 HA CYS 16 -11.450 -2.999 -4.433 120 HB2 CYS 16 2HB CYS 16 -10.349 -2.139 -1.733 121 HB3 CYS 16 1HB CYS 16 -10.771 -3.783 -2.211 122 HG CYS 16 HG CYS 16 -8.690 -4.280 -3.751 123 H ASP 17 H ASP 17 -12.815 -0.149 -3.774 124 HA ASP 17 HA ASP 17 -14.827 0.616 -3.132 125 HB2 ASP 17 2HB ASP 17 -15.523 -2.307 -3.588 126 HB3 ASP 17 1HB ASP 17 -16.753 -1.117 -3.167 127 H ILE 18 H ILE 18 -12.971 -0.104 -1.064 128 HA ILE 18 HA ILE 18 -14.523 -1.068 1.205 129 HB ILE 18 HB ILE 18 -11.666 0.021 1.106 130 HG12 ILE 18 2HG1 ILE 18 -12.625 -2.875 1.148 131 HG13 ILE 18 1HG1 ILE 18 -11.978 -2.047 -0.266 132 HG21 ILE 18 1HG2 ILE 18 -11.364 -1.050 3.318 133 HG22 ILE 18 2HG2 ILE 18 -13.066 -1.519 3.329 134 HG23 ILE 18 3HG2 ILE 18 -12.621 0.188 3.363 135 HD11 ILE 18 3HD1 ILE 18 -10.467 -2.636 2.280 136 HD12 ILE 18 1HD1 ILE 18 -9.807 -1.862 0.836 137 HD13 ILE 18 2HD1 ILE 18 -10.354 -3.537 0.771 138 HA PRO 19 HA PRO 19 -16.072 3.104 2.243 139 HB2 PRO 19 2HB PRO 19 -16.338 2.545 5.025 140 HB3 PRO 19 1HB PRO 19 -17.589 2.378 3.793 141 HG2 PRO 19 2HG PRO 19 -15.786 0.297 4.963 142 HG3 PRO 19 1HG PRO 19 -17.474 0.153 4.439 143 HD2 PRO 19 2HD PRO 19 -15.469 -0.844 2.957 144 HD3 PRO 19 1HD PRO 19 -16.886 -0.097 2.181 145 H ARG 20 H ARG 20 -14.792 4.748 2.327 146 HA ARG 20 HA ARG 20 -12.079 4.814 2.993 147 HB2 ARG 20 2HB ARG 20 -13.102 6.308 1.349 148 HB3 ARG 20 1HB ARG 20 -14.115 7.039 2.580 149 HG2 ARG 20 2HG ARG 20 -12.323 8.547 1.902 150 HG3 ARG 20 1HG ARG 20 -12.164 8.109 3.602 151 HD2 ARG 20 2HD ARG 20 -10.246 6.775 3.197 152 HD3 ARG 20 1HD ARG 20 -10.593 6.633 1.472 153 HE ARG 20 HE ARG 20 -9.781 8.803 1.117 154 HH11 ARG 20 1HH1 ARG 20 -9.247 7.846 4.441 155 HH12 ARG 20 2HH1 ARG 20 -8.222 9.195 4.777 156 HH21 ARG 20 1HH2 ARG 20 -8.473 10.553 1.586 157 HH22 ARG 20 2HH2 ARG 20 -7.771 10.720 3.162 158 H GLU 21 H GLU 21 -14.926 5.760 4.893 159 HA GLU 21 HA GLU 21 -13.631 7.193 6.960 160 HB2 GLU 21 2HB GLU 21 -15.740 6.872 8.235 161 HB3 GLU 21 1HB GLU 21 -16.044 7.392 6.582 162 HG2 GLU 21 2HG GLU 21 -16.757 5.201 5.924 163 HG3 GLU 21 1HG GLU 21 -16.211 4.488 7.442 164 H THR 22 H THR 22 -14.310 3.730 6.549 165 HA THR 22 HA THR 22 -13.537 3.067 9.285 166 HB THR 22 HB THR 22 -14.080 0.702 8.574 167 HG1 THR 22 HG1 THR 22 -13.642 1.098 6.285 168 HG21 THR 22 3HG2 THR 22 -16.515 1.028 8.394 169 HG22 THR 22 1HG2 THR 22 -16.271 2.732 7.999 170 HG23 THR 22 2HG2 THR 22 -15.836 2.124 9.599 171 H ILE 23 H ILE 23 -11.958 3.316 6.236 172 HA ILE 23 HA ILE 23 -9.898 1.400 6.520 173 HB ILE 23 HB ILE 23 -10.019 4.041 5.002 174 HG12 ILE 23 2HG1 ILE 23 -10.157 1.133 4.089 175 HG13 ILE 23 1HG1 ILE 23 -11.499 2.269 4.151 176 HG21 ILE 23 1HG2 ILE 23 -7.663 3.652 5.535 177 HG22 ILE 23 2HG2 ILE 23 -7.949 3.398 3.814 178 HG23 ILE 23 3HG2 ILE 23 -7.768 2.016 4.891 179 HD11 ILE 23 3HD1 ILE 23 -10.719 1.913 1.890 180 HD12 ILE 23 1HD1 ILE 23 -9.100 2.455 2.329 181 HD13 ILE 23 2HD1 ILE 23 -10.455 3.588 2.375 182 H THR 24 H THR 24 -8.534 1.274 8.199 183 HA THR 24 HA THR 24 -7.695 3.736 9.633 184 HB THR 24 HB THR 24 -7.384 2.226 11.634 185 HG1 THR 24 HG1 THR 24 -8.616 0.139 11.370 186 HG21 THR 24 3HG2 THR 24 -9.467 3.517 11.427 187 HG22 THR 24 1HG2 THR 24 -9.798 1.939 12.144 188 HG23 THR 24 2HG2 THR 24 -10.186 2.237 10.448 189 HA PRO 25 HA PRO 25 -3.308 2.866 8.832 190 HB2 PRO 25 2HB PRO 25 -2.969 3.376 11.796 191 HB3 PRO 25 1HB PRO 25 -2.087 4.072 10.428 192 HG2 PRO 25 2HG PRO 25 -3.929 5.517 11.685 193 HG3 PRO 25 1HG PRO 25 -3.815 5.579 9.910 194 HD2 PRO 25 2HD PRO 25 -5.798 4.098 11.637 195 HD3 PRO 25 1HD PRO 25 -6.064 4.987 10.118 196 H GLU 26 H GLU 26 -4.942 1.424 11.597 197 HA GLU 26 HA GLU 26 -2.912 -0.473 12.282 198 HB2 GLU 26 2HB GLU 26 -5.839 -0.315 13.110 199 HB3 GLU 26 1HB GLU 26 -4.614 -1.315 13.889 200 HG2 GLU 26 2HG GLU 26 -3.413 0.638 14.656 201 HG3 GLU 26 1HG GLU 26 -4.463 1.708 13.727 202 H SER 27 H SER 27 -5.606 -0.527 10.053 203 HA SER 27 HA SER 27 -6.201 -3.329 10.215 204 HB2 SER 27 2HB SER 27 -7.645 -2.904 8.210 205 HB3 SER 27 1HB SER 27 -7.943 -1.767 9.525 206 HG SER 27 HG SER 27 -6.039 -0.800 7.899 207 H HIS 28 H HIS 28 -5.484 -4.991 9.047 208 HA HIS 28 HA HIS 28 -3.210 -4.710 7.232 209 HB2 HIS 28 2HB HIS 28 -3.268 -6.452 9.080 210 HB3 HIS 28 1HB HIS 28 -4.592 -7.244 8.239 211 HD2 HIS 28 HD2 HIS 28 -0.860 -7.349 8.432 212 HE1 HIS 28 HE1 HIS 28 -1.886 -9.227 4.803 213 HE2 HIS 28 HE2 HIS 28 -0.186 -9.101 6.668 214 H ALA 29 H ALA 29 -3.472 -4.764 5.038 215 HA ALA 29 HA ALA 29 -5.792 -4.677 3.629 216 HB1 ALA 29 3HB ALA 29 -3.205 -5.853 2.585 217 HB2 ALA 29 1HB ALA 29 -3.564 -4.130 2.699 218 HB3 ALA 29 2HB ALA 29 -4.506 -5.158 1.613 219 H ILE 30 H ILE 30 -3.845 -7.725 3.949 220 HA ILE 30 HA ILE 30 -5.782 -9.264 2.475 221 HB ILE 30 HB ILE 30 -3.537 -10.369 4.226 222 HG12 ILE 30 2HG1 ILE 30 -3.464 -9.631 1.257 223 HG13 ILE 30 1HG1 ILE 30 -2.624 -8.772 2.545 224 HG21 ILE 30 1HG2 ILE 30 -3.699 -12.379 2.806 225 HG22 ILE 30 2HG2 ILE 30 -5.011 -11.644 1.883 226 HG23 ILE 30 3HG2 ILE 30 -5.248 -12.046 3.585 227 HD11 ILE 30 3HD1 ILE 30 -1.079 -10.155 1.351 228 HD12 ILE 30 1HD1 ILE 30 -2.082 -11.584 1.595 229 HD13 ILE 30 2HD1 ILE 30 -1.285 -10.817 2.972 230 H ASP 31 H ASP 31 -4.910 -9.040 5.925 231 HA ASP 31 HA ASP 31 -6.648 -11.132 6.803 232 HB2 ASP 31 2HB ASP 31 -4.671 -10.644 8.101 233 HB3 ASP 31 1HB ASP 31 -5.142 -8.964 8.310 234 H ASP 32 H ASP 32 -6.831 -7.580 7.344 235 HA ASP 32 HA ASP 32 -9.465 -7.804 8.545 236 HB2 ASP 32 2HB ASP 32 -7.723 -6.209 9.399 237 HB3 ASP 32 1HB ASP 32 -7.819 -5.311 7.888 238 H LEU 33 H LEU 33 -8.098 -6.195 5.649 239 HA LEU 33 HA LEU 33 -10.703 -5.189 4.827 240 HB2 LEU 33 2HB LEU 33 -7.995 -4.990 3.456 241 HB3 LEU 33 1HB LEU 33 -9.436 -4.082 3.026 242 HG LEU 33 HG LEU 33 -7.871 -3.802 5.622 243 HD11 LEU 33 1HD1 LEU 33 -8.086 -1.913 3.252 244 HD12 LEU 33 2HD1 LEU 33 -6.681 -2.890 3.693 245 HD13 LEU 33 3HD1 LEU 33 -7.226 -1.606 4.765 246 HD21 LEU 33 3HD2 LEU 33 -9.346 -1.884 6.105 247 HD22 LEU 33 1HD2 LEU 33 -10.244 -3.397 6.023 248 HD23 LEU 33 2HD2 LEU 33 -10.313 -2.259 4.674 249 H GLY 34 H GLY 34 -8.854 -8.028 4.199 250 HA2 GLY 34 2HA GLY 34 -9.422 -9.920 3.002 251 HA3 GLY 34 1HA GLY 34 -10.876 -9.109 2.446 252 H ILE 35 H ILE 35 -8.009 -7.364 1.884 253 HA ILE 35 HA ILE 35 -8.205 -7.523 -0.964 254 HB ILE 35 HB ILE 35 -5.988 -6.305 0.751 255 HG12 ILE 35 2HG1 ILE 35 -8.373 -4.888 -0.523 256 HG13 ILE 35 1HG1 ILE 35 -8.283 -5.338 1.177 257 HG21 ILE 35 1HG2 ILE 35 -5.229 -6.692 -1.552 258 HG22 ILE 35 2HG2 ILE 35 -5.417 -4.966 -1.250 259 HG23 ILE 35 3HG2 ILE 35 -6.637 -5.835 -2.185 260 HD11 ILE 35 3HD1 ILE 35 -6.397 -3.838 1.494 261 HD12 ILE 35 1HD1 ILE 35 -7.780 -2.987 0.811 262 HD13 ILE 35 2HD1 ILE 35 -6.422 -3.421 -0.219 263 H ASP 36 H ASP 36 -7.474 -9.220 -2.100 264 HA ASP 36 HA ASP 36 -5.431 -11.063 -1.196 265 HB2 ASP 36 2HB ASP 36 -6.688 -10.794 -3.968 266 HB3 ASP 36 1HB ASP 36 -5.857 -12.205 -3.319 267 H SER 37 H SER 37 -3.388 -11.465 -2.584 268 HA SER 37 HA SER 37 -1.994 -9.096 -3.217 269 HB2 SER 37 2HB SER 37 -1.391 -11.955 -4.054 270 HB3 SER 37 1HB SER 37 -0.253 -10.607 -4.111 271 HG SER 37 HG SER 37 -0.175 -10.558 -1.930 272 H LEU 38 H LEU 38 -4.233 -10.981 -5.108 273 HA LEU 38 HA LEU 38 -3.495 -9.835 -7.679 274 HB2 LEU 38 2HB LEU 38 -5.902 -11.487 -6.824 275 HB3 LEU 38 1HB LEU 38 -5.603 -10.964 -8.476 276 HG LEU 38 HG LEU 38 -3.871 -12.892 -6.874 277 HD11 LEU 38 1HD1 LEU 38 -5.683 -13.415 -9.252 278 HD12 LEU 38 2HD1 LEU 38 -5.991 -13.887 -7.577 279 HD13 LEU 38 3HD1 LEU 38 -4.637 -14.598 -8.453 280 HD21 LEU 38 3HD2 LEU 38 -2.584 -13.195 -8.961 281 HD22 LEU 38 1HD2 LEU 38 -2.472 -11.543 -8.351 282 HD23 LEU 38 2HD2 LEU 38 -3.520 -11.907 -9.727 283 H ASP 39 H ASP 39 -5.923 -9.401 -5.162 284 HA ASP 39 HA ASP 39 -7.480 -7.389 -6.472 285 HB2 ASP 39 2HB ASP 39 -8.312 -8.846 -4.597 286 HB3 ASP 39 1HB ASP 39 -7.222 -8.008 -3.493 287 H PHE 40 H PHE 40 -4.554 -7.374 -4.594 288 HA PHE 40 HA PHE 40 -4.487 -4.558 -4.017 289 HB2 PHE 40 2HB PHE 40 -3.308 -6.524 -2.718 290 HB3 PHE 40 1HB PHE 40 -2.039 -6.361 -3.918 291 HD1 PHE 40 HD1 PHE 40 -0.948 -3.984 -4.168 292 HD2 PHE 40 HD2 PHE 40 -3.300 -5.139 -0.789 293 HE1 PHE 40 HE1 PHE 40 0.031 -2.156 -2.859 294 HE2 PHE 40 HE2 PHE 40 -2.324 -3.295 0.508 295 HZ PHE 40 HZ PHE 40 -0.664 -1.808 -0.529 296 H LEU 41 H LEU 41 -3.653 -6.513 -6.774 297 HA LEU 41 HA LEU 41 -1.509 -5.099 -7.918 298 HB2 LEU 41 2HB LEU 41 -3.796 -6.548 -9.297 299 HB3 LEU 41 1HB LEU 41 -2.366 -5.967 -10.135 300 HG LEU 41 HG LEU 41 -2.439 -8.154 -8.010 301 HD11 LEU 41 1HD1 LEU 41 -3.337 -8.869 -10.189 302 HD12 LEU 41 2HD1 LEU 41 -1.817 -9.673 -9.817 303 HD13 LEU 41 3HD1 LEU 41 -1.846 -8.349 -10.985 304 HD21 LEU 41 3HD2 LEU 41 -0.049 -8.472 -8.439 305 HD22 LEU 41 1HD2 LEU 41 -0.367 -6.852 -7.828 306 HD23 LEU 41 2HD2 LEU 41 -0.041 -7.094 -9.545 307 H ASP 42 H ASP 42 -4.978 -4.449 -7.990 308 HA ASP 42 HA ASP 42 -5.007 -2.287 -9.856 309 HB2 ASP 42 2HB ASP 42 -6.999 -3.695 -9.245 310 HB3 ASP 42 1HB ASP 42 -7.009 -2.964 -7.648 311 H ILE 43 H ILE 43 -4.745 -2.502 -6.325 312 HA ILE 43 HA ILE 43 -4.892 0.263 -5.667 313 HB ILE 43 HB ILE 43 -3.445 -1.986 -4.181 314 HG12 ILE 43 2HG1 ILE 43 -6.298 -0.955 -3.830 315 HG13 ILE 43 1HG1 ILE 43 -5.835 -2.515 -4.508 316 HG21 ILE 43 1HG2 ILE 43 -3.629 -0.581 -2.158 317 HG22 ILE 43 2HG2 ILE 43 -4.356 0.714 -3.109 318 HG23 ILE 43 3HG2 ILE 43 -2.685 0.231 -3.411 319 HD11 ILE 43 3HD1 ILE 43 -5.411 -1.602 -1.666 320 HD12 ILE 43 1HD1 ILE 43 -4.863 -3.142 -2.337 321 HD13 ILE 43 2HD1 ILE 43 -6.586 -2.782 -2.244 322 H ALA 44 H ALA 44 -2.154 -1.932 -6.149 323 HA ALA 44 HA ALA 44 -0.044 -0.140 -5.620 324 HB1 ALA 44 3HB ALA 44 0.196 -2.598 -5.492 325 HB2 ALA 44 1HB ALA 44 1.405 -1.901 -6.576 326 HB3 ALA 44 2HB ALA 44 -0.015 -2.718 -7.238 327 H PHE 45 H PHE 45 -1.670 -1.128 -8.589 328 HA PHE 45 HA PHE 45 -0.090 0.268 -10.475 329 HB2 PHE 45 2HB PHE 45 -1.747 -1.565 -11.008 330 HB3 PHE 45 1HB PHE 45 -3.052 -0.424 -10.716 331 HD1 PHE 45 HD2 PHE 45 -0.036 -0.978 -12.855 332 HD2 PHE 45 HD1 PHE 45 -3.853 0.916 -12.524 333 HE1 PHE 45 HE2 PHE 45 0.098 -0.281 -15.203 334 HE2 PHE 45 HE1 PHE 45 -3.713 1.601 -14.879 335 HZ PHE 45 HZ PHE 45 -1.735 1.010 -16.219 336 H ALA 46 H ALA 46 -2.996 1.193 -8.663 337 HA ALA 46 HA ALA 46 -3.385 3.761 -9.829 338 HB1 ALA 46 3HB ALA 46 -4.256 2.751 -7.102 339 HB2 ALA 46 1HB ALA 46 -5.162 2.567 -8.604 340 HB3 ALA 46 2HB ALA 46 -4.894 4.176 -7.931 341 H ILE 47 H ILE 47 -1.468 2.601 -7.117 342 HA ILE 47 HA ILE 47 -0.745 5.105 -5.953 343 HB ILE 47 HB ILE 47 0.422 2.295 -5.766 344 HG12 ILE 47 2HG1 ILE 47 -1.013 3.985 -3.677 345 HG13 ILE 47 1HG1 ILE 47 -1.834 2.843 -4.730 346 HG21 ILE 47 1HG2 ILE 47 2.330 3.795 -5.413 347 HG22 ILE 47 2HG2 ILE 47 1.866 3.037 -3.891 348 HG23 ILE 47 3HG2 ILE 47 1.420 4.712 -4.210 349 HD11 ILE 47 3HD1 ILE 47 0.293 2.124 -2.732 350 HD12 ILE 47 1HD1 ILE 47 -0.635 1.004 -3.729 351 HD13 ILE 47 2HD1 ILE 47 -1.443 1.967 -2.490 352 H ASP 48 H ASP 48 0.813 2.996 -8.370 353 HA ASP 48 HA ASP 48 3.139 4.454 -8.914 354 HB2 ASP 48 2HB ASP 48 1.380 2.905 -10.877 355 HB3 ASP 48 1HB ASP 48 2.990 3.509 -11.263 356 H LYS 49 H LYS 49 -0.150 4.877 -10.175 357 HA LYS 49 HA LYS 49 0.515 6.989 -12.023 358 HB2 LYS 49 2HB LYS 49 -2.209 6.022 -11.054 359 HB3 LYS 49 1HB LYS 49 -1.921 7.055 -12.455 360 HG2 LYS 49 2HG LYS 49 -0.682 5.201 -13.541 361 HG3 LYS 49 1HG LYS 49 -0.994 4.188 -12.134 362 HD2 LYS 49 2HD LYS 49 -2.632 3.506 -13.676 363 HD3 LYS 49 1HD LYS 49 -3.507 4.598 -12.606 364 HE2 LYS 49 2HE LYS 49 -2.357 5.417 -15.304 365 HE3 LYS 49 1HE LYS 49 -4.018 4.890 -15.067 366 HZ1 LYS 49 3HZ LYS 49 -4.367 6.769 -13.605 367 HZ2 LYS 49 1HZ LYS 49 -3.831 7.286 -15.117 368 HZ3 LYS 49 2HZ LYS 49 -2.764 7.264 -13.814 369 H ALA 50 H ALA 50 -0.562 6.829 -8.698 370 HA ALA 50 HA ALA 50 -1.737 9.483 -8.591 371 HB1 ALA 50 3HB ALA 50 -1.127 7.526 -6.342 372 HB2 ALA 50 1HB ALA 50 -2.657 7.654 -7.210 373 HB3 ALA 50 2HB ALA 50 -2.104 8.990 -6.201 374 H PHE 51 H PHE 51 1.024 7.900 -6.983 375 HA PHE 51 HA PHE 51 2.074 10.424 -5.979 376 HB2 PHE 51 2HB PHE 51 3.188 7.593 -5.733 377 HB3 PHE 51 1HB PHE 51 3.735 8.996 -4.829 378 HD1 PHE 51 HD1 PHE 51 0.825 6.720 -5.311 379 HD2 PHE 51 HD2 PHE 51 2.652 9.616 -2.768 380 HE1 PHE 51 HE1 PHE 51 -0.759 6.150 -3.532 381 HE2 PHE 51 HE2 PHE 51 1.056 9.043 -0.993 382 HZ PHE 51 HZ PHE 51 -0.645 7.309 -1.372 383 H GLY 52 H GLY 52 2.578 8.358 -8.709 384 HA2 GLY 52 2HA GLY 52 3.832 8.736 -10.614 385 HA3 GLY 52 1HA GLY 52 4.611 10.106 -9.833 386 H ILE 53 H ILE 53 4.516 7.062 -8.198 387 HA ILE 53 HA ILE 53 7.468 6.844 -8.346 388 HB ILE 53 HB ILE 53 7.324 5.687 -6.161 389 HG12 ILE 53 2HG1 ILE 53 4.314 6.201 -6.387 390 HG13 ILE 53 1HG1 ILE 53 5.100 4.629 -6.455 391 HG21 ILE 53 1HG2 ILE 53 6.654 7.612 -4.763 392 HG22 ILE 53 2HG2 ILE 53 5.847 8.349 -6.150 393 HG23 ILE 53 3HG2 ILE 53 7.600 8.134 -6.159 394 HD11 ILE 53 3HD1 ILE 53 5.780 4.875 -4.124 395 HD12 ILE 53 1HD1 ILE 53 4.034 4.998 -4.324 396 HD13 ILE 53 2HD1 ILE 53 4.993 6.453 -4.062 397 H LYS 54 H LYS 54 8.115 4.417 -7.675 398 HA LYS 54 HA LYS 54 6.479 2.477 -9.205 399 HB2 LYS 54 2HB LYS 54 8.678 2.787 -10.252 400 HB3 LYS 54 1HB LYS 54 9.493 2.485 -8.721 401 HG2 LYS 54 2HG LYS 54 8.793 0.161 -8.730 402 HG3 LYS 54 1HG LYS 54 7.766 0.421 -10.143 403 HD2 LYS 54 2HD LYS 54 10.804 0.703 -10.124 404 HD3 LYS 54 1HD LYS 54 9.931 -0.744 -10.651 405 HE2 LYS 54 2HE LYS 54 9.779 2.018 -11.923 406 HE3 LYS 54 1HE LYS 54 10.591 0.601 -12.588 407 HZ1 LYS 54 3HZ LYS 54 7.664 0.926 -12.170 408 HZ2 LYS 54 1HZ LYS 54 8.400 -0.504 -12.694 409 HZ3 LYS 54 2HZ LYS 54 8.476 0.887 -13.651 410 H LEU 55 H LEU 55 5.293 1.390 -7.803 411 HA LEU 55 HA LEU 55 6.406 0.380 -5.275 412 HB2 LEU 55 2HB LEU 55 4.206 1.632 -5.275 413 HB3 LEU 55 1HB LEU 55 3.510 0.357 -6.260 414 HG LEU 55 HG LEU 55 4.677 -0.211 -3.507 415 HD11 LEU 55 1HD1 LEU 55 2.996 1.507 -3.190 416 HD12 LEU 55 2HD1 LEU 55 2.444 -0.033 -2.537 417 HD13 LEU 55 3HD1 LEU 55 1.809 0.551 -4.079 418 HD21 LEU 55 3HD2 LEU 55 3.167 -2.156 -3.483 419 HD22 LEU 55 1HD2 LEU 55 4.277 -2.225 -4.848 420 HD23 LEU 55 2HD2 LEU 55 2.599 -1.749 -5.105 421 HA PRO 56 HA PRO 56 6.520 -3.472 -7.792 422 HB2 PRO 56 2HB PRO 56 8.793 -4.533 -6.818 423 HB3 PRO 56 1HB PRO 56 8.841 -3.165 -7.942 424 HG2 PRO 56 2HG PRO 56 9.184 -3.179 -4.954 425 HG3 PRO 56 1HG PRO 56 10.065 -2.237 -6.170 426 HD2 PRO 56 2HD PRO 56 7.912 -1.291 -4.628 427 HD3 PRO 56 1HD PRO 56 8.493 -0.548 -6.139 428 H LEU 57 H LEU 57 4.561 -3.948 -6.626 429 HA LEU 57 HA LEU 57 4.392 -5.080 -4.040 430 HB2 LEU 57 2HB LEU 57 2.395 -4.256 -5.226 431 HB3 LEU 57 1HB LEU 57 2.588 -5.493 -6.458 432 HG LEU 57 HG LEU 57 2.190 -7.246 -4.659 433 HD11 LEU 57 1HD1 LEU 57 2.780 -5.952 -2.676 434 HD12 LEU 57 2HD1 LEU 57 1.145 -6.588 -2.543 435 HD13 LEU 57 3HD1 LEU 57 1.395 -4.884 -2.928 436 HD21 LEU 57 3HD2 LEU 57 -0.241 -6.978 -4.641 437 HD22 LEU 57 1HD2 LEU 57 0.437 -6.603 -6.222 438 HD23 LEU 57 2HD2 LEU 57 -0.078 -5.295 -5.154 439 H GLU 58 H GLU 58 5.057 -6.425 -7.193 440 HA GLU 58 HA GLU 58 4.882 -9.180 -6.706 441 HB2 GLU 58 2HB GLU 58 6.390 -9.374 -8.714 442 HB3 GLU 58 1HB GLU 58 4.997 -8.328 -8.960 443 HG2 GLU 58 2HG GLU 58 6.471 -6.335 -8.550 444 HG3 GLU 58 1HG GLU 58 7.849 -7.431 -8.433 445 H LYS 59 H LYS 59 7.501 -6.878 -6.142 446 HA LYS 59 HA LYS 59 9.488 -8.831 -5.374 447 HB2 LYS 59 2HB LYS 59 10.121 -6.599 -6.331 448 HB3 LYS 59 1HB LYS 59 9.441 -5.814 -4.907 449 HG2 LYS 59 2HG LYS 59 11.160 -7.187 -3.534 450 HG3 LYS 59 1HG LYS 59 11.910 -7.569 -5.087 451 HD2 LYS 59 2HD LYS 59 13.084 -5.703 -4.121 452 HD3 LYS 59 1HD LYS 59 12.165 -5.105 -5.503 453 HE2 LYS 59 2HE LYS 59 10.405 -4.279 -3.946 454 HE3 LYS 59 1HE LYS 59 11.361 -4.858 -2.579 455 HZ1 LYS 59 3HZ LYS 59 13.136 -3.339 -3.284 456 HZ2 LYS 59 1HZ LYS 59 11.699 -2.530 -2.892 457 HZ3 LYS 59 2HZ LYS 59 12.133 -2.747 -4.509 458 H TRP 60 H TRP 60 7.338 -6.541 -3.737 459 HA TRP 60 HA TRP 60 8.217 -6.805 -1.093 460 HB2 TRP 60 2HB TRP 60 5.510 -6.010 -2.243 461 HB3 TRP 60 1HB TRP 60 5.854 -5.955 -0.515 462 HD1 TRP 60 HD1 TRP 60 8.891 -4.858 -2.349 463 HE1 TRP 60 HE1 TRP 60 9.066 -2.303 -2.335 464 HE3 TRP 60 HE3 TRP 60 4.172 -3.726 -0.739 465 HZ2 TRP 60 HZ2 TRP 60 7.451 -0.093 -1.728 466 HZ3 TRP 60 HZ3 TRP 60 3.578 -1.358 -0.454 467 HH2 TRP 60 HH2 TRP 60 5.180 0.425 -0.935 468 H THR 61 H THR 61 5.585 -8.473 -2.782 469 HA THR 61 HA THR 61 4.782 -10.219 -0.743 470 HB THR 61 HB THR 61 4.579 -10.572 -3.768 471 HG1 THR 61 HG1 THR 61 3.133 -9.047 -3.621 472 HG21 THR 61 3HG2 THR 61 2.629 -12.017 -3.301 473 HG22 THR 61 1HG2 THR 61 2.928 -11.871 -1.565 474 HG23 THR 61 2HG2 THR 61 4.095 -12.701 -2.597 475 H GLN 62 H GLN 62 7.351 -10.459 -3.168 476 HA GLN 62 HA GLN 62 7.981 -13.230 -2.853 477 HB2 GLN 62 2HB GLN 62 8.561 -11.941 -4.895 478 HB3 GLN 62 1HB GLN 62 9.662 -10.937 -3.964 479 HG2 GLN 62 2HG GLN 62 10.852 -12.627 -5.304 480 HG3 GLN 62 1HG GLN 62 11.146 -12.831 -3.579 481 HE21 GLN 62 1HE2 GLN 62 10.425 -14.714 -2.557 482 HE22 GLN 62 2HE2 GLN 62 9.775 -16.069 -3.412 483 H GLU 63 H GLU 63 9.245 -10.251 -1.388 484 HA GLU 63 HA GLU 63 11.345 -11.387 0.140 485 HB2 GLU 63 2HB GLU 63 9.724 -8.846 0.610 486 HB3 GLU 63 1HB GLU 63 11.215 -9.253 1.465 487 HG2 GLU 63 2HG GLU 63 12.498 -9.117 -0.575 488 HG3 GLU 63 1HG GLU 63 11.041 -8.942 -1.549 489 H VAL 64 H VAL 64 7.894 -10.949 0.751 490 HA VAL 64 HA VAL 64 7.859 -11.883 3.430 491 HB VAL 64 HB VAL 64 5.639 -11.978 1.345 492 HG11 VAL 64 1HG1 VAL 64 5.172 -13.545 3.207 493 HG12 VAL 64 2HG1 VAL 64 4.078 -12.164 3.263 494 HG13 VAL 64 3HG1 VAL 64 5.442 -12.247 4.377 495 HG21 VAL 64 3HG2 VAL 64 6.196 -9.898 3.493 496 HG22 VAL 64 1HG2 VAL 64 4.816 -9.896 2.389 497 HG23 VAL 64 2HG2 VAL 64 6.452 -9.688 1.760 498 H ASN 65 H ASN 65 7.437 -13.492 0.300 499 HA ASN 65 HA ASN 65 6.891 -16.117 1.147 500 HB2 ASN 65 2HB ASN 65 8.271 -15.201 -1.426 501 HB3 ASN 65 1HB ASN 65 7.602 -16.809 -1.158 502 HD21 ASN 65 1HD2 ASN 65 6.943 -14.817 -3.188 503 HD22 ASN 65 2HD2 ASN 65 5.249 -14.512 -3.031 504 H ASP 66 H ASP 66 9.966 -14.438 0.825 505 HA ASP 66 HA ASP 66 11.575 -16.872 0.898 506 HB2 ASP 66 2HB ASP 66 12.045 -14.919 -0.658 507 HB3 ASP 66 1HB ASP 66 12.431 -13.942 0.753 508 H GLY 67 H GLY 67 10.236 -14.680 3.161 509 HA2 GLY 67 2HA GLY 67 10.365 -14.862 5.494 510 HA3 GLY 67 1HA GLY 67 11.837 -15.806 5.347 511 H LYS 68 H LYS 68 11.767 -12.913 3.522 512 HA LYS 68 HA LYS 68 13.754 -11.617 5.232 513 HB2 LYS 68 2HB LYS 68 12.692 -10.927 2.459 514 HB3 LYS 68 1HB LYS 68 13.971 -10.036 3.285 515 HG2 LYS 68 2HG LYS 68 14.132 -12.986 2.574 516 HG3 LYS 68 1HG LYS 68 14.786 -11.682 1.576 517 HD2 LYS 68 2HD LYS 68 16.343 -11.037 3.336 518 HD3 LYS 68 1HD LYS 68 15.624 -12.188 4.465 519 HE2 LYS 68 2HE LYS 68 17.801 -12.932 3.475 520 HE3 LYS 68 1HE LYS 68 16.471 -14.052 3.196 521 HZ1 LYS 68 3HZ LYS 68 16.261 -13.289 0.973 522 HZ2 LYS 68 1HZ LYS 68 17.893 -13.657 1.233 523 HZ3 LYS 68 2HZ LYS 68 17.380 -12.045 1.218 524 H ALA 69 H ALA 69 10.376 -11.323 4.481 525 HA ALA 69 HA ALA 69 10.096 -8.995 6.246 526 HB1 ALA 69 3HB ALA 69 9.063 -8.994 3.378 527 HB2 ALA 69 1HB ALA 69 10.397 -8.015 3.994 528 HB3 ALA 69 2HB ALA 69 8.759 -7.744 4.590 529 H THR 70 H THR 70 7.901 -8.667 6.946 530 HA THR 70 HA THR 70 6.168 -11.060 6.840 531 HB THR 70 HB THR 70 4.860 -9.830 8.647 532 HG1 THR 70 HG1 THR 70 6.729 -8.090 9.421 533 HG21 THR 70 3HG2 THR 70 6.558 -11.495 9.308 534 HG22 THR 70 1HG2 THR 70 6.531 -10.147 10.448 535 HG23 THR 70 2HG2 THR 70 7.817 -10.258 9.247 536 H THR 71 H THR 71 3.888 -10.819 6.324 537 HA THR 71 HA THR 71 3.096 -9.044 4.277 538 HB THR 71 HB THR 71 0.725 -9.693 4.909 539 HG1 THR 71 HG1 THR 71 1.529 -11.624 6.701 540 HG21 THR 71 3HG2 THR 71 0.898 -12.089 4.378 541 HG22 THR 71 1HG2 THR 71 2.631 -12.044 4.696 542 HG23 THR 71 2HG2 THR 71 1.960 -11.138 3.338 543 H GLU 72 H GLU 72 3.024 -8.839 7.780 544 HA GLU 72 HA GLU 72 1.438 -6.620 8.271 545 HB2 GLU 72 2HB GLU 72 2.401 -8.038 10.050 546 HB3 GLU 72 1HB GLU 72 4.018 -7.455 9.668 547 HG2 GLU 72 2HG GLU 72 3.205 -5.123 10.279 548 HG3 GLU 72 1HG GLU 72 1.717 -5.871 10.855 549 H GLN 73 H GLN 73 4.919 -6.759 7.508 550 HA GLN 73 HA GLN 73 5.621 -4.094 7.881 551 HB2 GLN 73 2HB GLN 73 7.211 -5.999 7.623 552 HB3 GLN 73 1HB GLN 73 6.840 -6.065 5.900 553 HG2 GLN 73 2HG GLN 73 7.776 -3.785 5.621 554 HG3 GLN 73 1HG GLN 73 8.138 -3.728 7.348 555 HE21 GLN 73 1HE2 GLN 73 9.082 -5.021 4.271 556 HE22 GLN 73 2HE2 GLN 73 10.584 -5.701 4.775 557 H TYR 74 H TYR 74 4.123 -5.609 5.105 558 HA TYR 74 HA TYR 74 4.171 -3.060 3.612 559 HB2 TYR 74 2HB TYR 74 3.463 -5.845 2.599 560 HB3 TYR 74 1HB TYR 74 3.604 -4.387 1.619 561 HD1 TYR 74 HD1 TYR 74 5.979 -3.096 2.102 562 HD2 TYR 74 HD2 TYR 74 5.329 -7.300 2.432 563 HE1 TYR 74 HE1 TYR 74 8.380 -3.481 1.810 564 HE2 TYR 74 HE2 TYR 74 7.736 -7.687 2.133 565 HH TYR 74 HH TYR 74 9.691 -6.404 1.046 566 H PHE 75 H PHE 75 1.815 -5.745 3.879 567 HA PHE 75 HA PHE 75 -0.304 -4.266 2.868 568 HB2 PHE 75 2HB PHE 75 -0.302 -6.859 4.445 569 HB3 PHE 75 1HB PHE 75 -1.718 -6.228 3.609 570 HD1 PHE 75 HD1 PHE 75 1.595 -7.817 3.166 571 HD2 PHE 75 HD2 PHE 75 -1.838 -6.251 1.162 572 HE1 PHE 75 HE1 PHE 75 2.312 -8.909 1.079 573 HE2 PHE 75 HE2 PHE 75 -1.117 -7.335 -0.925 574 HZ PHE 75 HZ PHE 75 0.959 -8.668 -0.970 575 H VAL 76 H VAL 76 0.569 -4.553 6.368 576 HA VAL 76 HA VAL 76 -1.863 -3.392 7.340 577 HB VAL 76 HB VAL 76 0.925 -3.269 8.570 578 HG11 VAL 76 1HG1 VAL 76 -0.168 -2.536 10.677 579 HG12 VAL 76 2HG1 VAL 76 -1.709 -2.406 9.822 580 HG13 VAL 76 3HG1 VAL 76 -0.364 -1.348 9.385 581 HG21 VAL 76 3HG2 VAL 76 -1.479 -4.973 9.308 582 HG22 VAL 76 1HG2 VAL 76 0.067 -4.956 10.160 583 HG23 VAL 76 2HG2 VAL 76 -0.019 -5.546 8.497 584 H LEU 77 H LEU 77 -2.517 -1.266 7.332 585 HA LEU 77 HA LEU 77 -1.596 0.053 5.007 586 HB2 LEU 77 2HB LEU 77 -3.593 1.083 7.033 587 HB3 LEU 77 1HB LEU 77 -3.357 1.708 5.405 588 HG LEU 77 HG LEU 77 -4.567 -0.946 6.235 589 HD11 LEU 77 1HD1 LEU 77 -6.058 0.973 6.195 590 HD12 LEU 77 2HD1 LEU 77 -6.472 -0.180 4.933 591 HD13 LEU 77 3HD1 LEU 77 -5.620 1.308 4.515 592 HD21 LEU 77 3HD2 LEU 77 -4.706 -1.566 3.836 593 HD22 LEU 77 1HD2 LEU 77 -3.046 -1.515 4.430 594 HD23 LEU 77 2HD2 LEU 77 -3.666 -0.196 3.436 595 H LYS 78 H LYS 78 -1.121 0.897 8.428 596 HA LYS 78 HA LYS 78 0.097 3.429 7.997 597 HB2 LYS 78 2HB LYS 78 0.983 3.217 10.297 598 HB3 LYS 78 1HB LYS 78 -0.715 2.777 10.201 599 HG2 LYS 78 2HG LYS 78 0.028 0.339 10.126 600 HG3 LYS 78 1HG LYS 78 1.652 0.919 10.517 601 HD2 LYS 78 2HD LYS 78 0.760 1.939 12.611 602 HD3 LYS 78 1HD LYS 78 -0.848 1.310 12.213 603 HE2 LYS 78 2HE LYS 78 0.258 -0.153 13.840 604 HE3 LYS 78 1HE LYS 78 0.057 -0.999 12.305 605 HZ1 LYS 78 3HZ LYS 78 2.563 0.282 13.275 606 HZ2 LYS 78 1HZ LYS 78 2.386 -0.504 11.782 607 HZ3 LYS 78 2HZ LYS 78 2.251 -1.376 13.222 608 H ASN 79 H ASN 79 1.400 0.148 8.033 609 HA ASN 79 HA ASN 79 4.168 0.909 7.835 610 HB2 ASN 79 2HB ASN 79 2.854 -1.794 7.293 611 HB3 ASN 79 1HB ASN 79 4.579 -1.515 7.523 612 HD21 ASN 79 1HD2 ASN 79 2.845 -3.252 9.035 613 HD22 ASN 79 2HD2 ASN 79 2.930 -2.734 10.674 614 H LEU 80 H LEU 80 1.733 -0.354 5.588 615 HA LEU 80 HA LEU 80 2.957 -0.265 3.141 616 HB2 LEU 80 2HB LEU 80 0.637 -1.060 3.574 617 HB3 LEU 80 1HB LEU 80 0.119 0.589 3.851 618 HG LEU 80 HG LEU 80 0.563 1.135 1.466 619 HD11 LEU 80 1HD1 LEU 80 1.262 -1.806 1.153 620 HD12 LEU 80 2HD1 LEU 80 2.368 -0.438 0.986 621 HD13 LEU 80 3HD1 LEU 80 1.049 -0.646 -0.162 622 HD21 LEU 80 3HD2 LEU 80 -1.684 0.430 2.165 623 HD22 LEU 80 1HD2 LEU 80 -1.273 -1.259 1.851 624 HD23 LEU 80 2HD2 LEU 80 -1.340 -0.098 0.520 625 H ALA 81 H ALA 81 1.328 2.347 4.871 626 HA ALA 81 HA ALA 81 1.692 4.429 2.994 627 HB1 ALA 81 3HB ALA 81 0.029 4.560 4.800 628 HB2 ALA 81 1HB ALA 81 1.120 5.948 4.854 629 HB3 ALA 81 2HB ALA 81 1.319 4.620 6.005 630 H ALA 82 H ALA 82 3.730 3.119 5.531 631 HA ALA 82 HA ALA 82 5.698 5.235 5.526 632 HB1 ALA 82 3HB ALA 82 6.989 3.746 6.992 633 HB2 ALA 82 1HB ALA 82 5.878 2.413 6.658 634 HB3 ALA 82 2HB ALA 82 5.312 3.842 7.529 635 H ARG 83 H ARG 83 5.519 1.957 4.085 636 HA ARG 83 HA ARG 83 7.977 1.859 2.763 637 HB2 ARG 83 2HB ARG 83 5.311 0.675 1.861 638 HB3 ARG 83 1HB ARG 83 6.886 0.206 1.229 639 HG2 ARG 83 2HG ARG 83 5.889 -0.225 4.065 640 HG3 ARG 83 1HG ARG 83 6.029 -1.453 2.807 641 HD2 ARG 83 2HD ARG 83 8.300 0.069 4.131 642 HD3 ARG 83 1HD ARG 83 7.908 -1.641 4.347 643 HE ARG 83 HE ARG 83 8.427 -1.044 1.603 644 HH11 ARG 83 1HH1 ARG 83 10.118 -1.664 4.630 645 HH12 ARG 83 2HH1 ARG 83 11.597 -2.077 3.831 646 HH21 ARG 83 1HH2 ARG 83 10.374 -1.579 0.613 647 HH22 ARG 83 2HH2 ARG 83 11.740 -2.020 1.581 648 H ILE 84 H ILE 84 4.863 3.069 1.652 649 HA ILE 84 HA ILE 84 5.712 3.947 -0.936 650 HB ILE 84 HB ILE 84 3.248 4.668 0.711 651 HG12 ILE 84 2HG1 ILE 84 3.546 2.697 -1.604 652 HG13 ILE 84 1HG1 ILE 84 3.552 2.239 0.095 653 HG21 ILE 84 1HG2 ILE 84 3.708 5.211 -2.245 654 HG22 ILE 84 2HG2 ILE 84 3.618 6.429 -0.975 655 HG23 ILE 84 3HG2 ILE 84 2.196 5.467 -1.372 656 HD11 ILE 84 3HD1 ILE 84 1.415 1.814 -0.956 657 HD12 ILE 84 1HD1 ILE 84 1.244 3.522 -1.361 658 HD13 ILE 84 2HD1 ILE 84 1.265 3.009 0.331 659 H ASP 85 H ASP 85 5.198 5.595 2.174 660 HA ASP 85 HA ASP 85 6.011 8.169 1.607 661 HB2 ASP 85 2HB ASP 85 5.106 7.449 3.784 662 HB3 ASP 85 1HB ASP 85 6.589 6.584 4.136 663 H GLU 86 H GLU 86 8.072 5.350 2.182 664 HA GLU 86 HA GLU 86 10.597 6.584 2.124 665 HB2 GLU 86 2HB GLU 86 10.234 4.232 2.823 666 HB3 GLU 86 1HB GLU 86 9.745 3.812 1.191 667 HG2 GLU 86 2HG GLU 86 11.958 3.022 1.417 668 HG3 GLU 86 1HG GLU 86 12.056 4.466 0.411 669 H LEU 87 H LEU 87 8.592 5.195 -0.460 670 HA LEU 87 HA LEU 87 10.350 5.621 -2.637 671 HB2 LEU 87 2HB LEU 87 7.319 5.368 -2.744 672 HB3 LEU 87 1HB LEU 87 8.435 5.056 -4.066 673 HG LEU 87 HG LEU 87 8.202 3.409 -1.513 674 HD11 LEU 87 1HD1 LEU 87 7.298 2.715 -4.321 675 HD12 LEU 87 2HD1 LEU 87 6.260 3.118 -2.951 676 HD13 LEU 87 3HD1 LEU 87 7.234 1.651 -2.909 677 HD21 LEU 87 3HD2 LEU 87 10.501 3.381 -2.333 678 HD22 LEU 87 1HD2 LEU 87 9.952 2.911 -3.945 679 HD23 LEU 87 2HD2 LEU 87 9.744 1.811 -2.577 680 H VAL 88 H VAL 88 7.676 7.637 -1.352 681 HA VAL 88 HA VAL 88 7.920 9.643 -3.423 682 HB VAL 88 HB VAL 88 6.203 10.904 -2.293 683 HG11 VAL 88 1HG1 VAL 88 4.370 9.238 -2.175 684 HG12 VAL 88 2HG1 VAL 88 5.560 7.931 -2.155 685 HG13 VAL 88 3HG1 VAL 88 5.418 8.978 -3.571 686 HG21 VAL 88 3HG2 VAL 88 5.250 10.286 -0.082 687 HG22 VAL 88 1HG2 VAL 88 6.953 10.737 0.048 688 HG23 VAL 88 2HG2 VAL 88 6.487 9.040 0.096 689 H ALA 89 H ALA 89 9.249 9.162 -0.226 690 HA ALA 89 HA ALA 89 10.444 11.754 0.063 691 HB1 ALA 89 3HB ALA 89 10.177 10.219 1.986 692 HB2 ALA 89 1HB ALA 89 11.861 10.715 1.778 693 HB3 ALA 89 2HB ALA 89 11.339 9.107 1.260 694 H ALA 90 H ALA 90 11.433 8.682 -1.419 695 HA ALA 90 HA ALA 90 14.042 9.242 -2.131 696 HB1 ALA 90 3HB ALA 90 13.825 7.571 -3.905 697 HB2 ALA 90 1HB ALA 90 12.067 7.646 -3.786 698 HB3 ALA 90 2HB ALA 90 13.017 7.019 -2.435 699 H LYS 91 H LYS 91 11.088 10.093 -4.040 700 HA LYS 91 HA LYS 91 12.561 11.341 -6.140 701 HB2 LYS 91 2HB LYS 91 10.444 12.265 -6.947 702 HB3 LYS 91 1HB LYS 91 10.263 10.563 -6.540 703 HG2 LYS 91 2HG LYS 91 9.139 11.190 -4.425 704 HG3 LYS 91 1HG LYS 91 9.322 12.900 -4.837 705 HD2 LYS 91 2HD LYS 91 7.892 12.553 -6.842 706 HD3 LYS 91 1HD LYS 91 7.712 10.847 -6.419 707 HE2 LYS 91 2HE LYS 91 5.727 12.113 -5.733 708 HE3 LYS 91 1HE LYS 91 6.580 11.506 -4.311 709 HZ1 LYS 91 3HZ LYS 91 7.578 13.700 -4.040 710 HZ2 LYS 91 1HZ LYS 91 5.891 13.787 -4.006 711 HZ3 LYS 91 2HZ LYS 91 6.733 14.271 -5.388 712 H GLY 92 H GLY 92 11.103 12.578 -3.140 713 HA2 GLY 92 2HA GLY 92 11.803 15.315 -3.469 714 HA3 GLY 92 1HA GLY 92 11.420 14.511 -1.954 715 H ALA 93 H ALA 93 13.746 12.591 -2.524 716 HA ALA 93 HA ALA 93 15.779 14.212 -1.158 717 HB1 ALA 93 3HB ALA 93 15.748 11.226 -1.770 718 HB2 ALA 93 1HB ALA 93 15.228 11.978 -0.260 719 HB3 ALA 93 2HB ALA 93 16.921 12.063 -0.751 720 H LEU 94 H LEU 94 15.531 12.168 -4.066 721 HA LEU 94 HA LEU 94 18.287 12.569 -4.808 722 HB2 LEU 94 2HB LEU 94 16.046 11.115 -6.272 723 HB3 LEU 94 1HB LEU 94 17.755 11.029 -6.685 724 HG LEU 94 HG LEU 94 16.478 9.973 -4.121 725 HD11 LEU 94 1HD1 LEU 94 15.910 8.619 -6.066 726 HD12 LEU 94 2HD1 LEU 94 17.011 7.748 -5.004 727 HD13 LEU 94 3HD1 LEU 94 17.617 8.464 -6.501 728 HD21 LEU 94 3HD2 LEU 94 18.735 10.782 -3.664 729 HD22 LEU 94 1HD2 LEU 94 19.384 9.839 -5.006 730 HD23 LEU 94 2HD2 LEU 94 18.695 9.026 -3.599 731 H GLU 95 H GLU 95 15.601 14.502 -5.293 732 HA GLU 95 HA GLU 95 16.028 15.366 -7.980 733 HB2 GLU 95 2HB GLU 95 14.618 17.402 -7.241 734 HB3 GLU 95 1HB GLU 95 13.863 15.822 -7.221 735 HG2 GLU 95 2HG GLU 95 13.087 16.802 -5.260 736 HG3 GLU 95 1HG GLU 95 14.395 15.774 -4.697 737 H HIS 96 H HIS 96 17.177 16.541 -4.853 738 HA HIS 96 HA HIS 96 19.551 17.727 -6.080 739 HB2 HIS 96 2HB HIS 96 17.671 19.332 -4.268 740 HB3 HIS 96 1HB HIS 96 19.300 19.833 -4.699 741 HD1 HIS 96 HD1 HIS 96 15.882 20.254 -5.725 742 HD2 HIS 96 HD2 HIS 96 19.550 20.184 -7.665 743 HE1 HIS 96 HE1 HIS 96 15.484 21.351 -7.948 744 HE2 HIS 96 HE2 HIS 96 17.646 21.034 -9.183 745 H HIS 97 H HIS 97 20.164 15.639 -5.055 746 HA HIS 97 HA HIS 97 20.162 15.424 -2.159 747 HB2 HIS 97 2HB HIS 97 21.479 13.277 -2.595 748 HB3 HIS 97 1HB HIS 97 19.860 13.341 -3.269 749 HD1 HIS 97 HD1 HIS 97 23.331 14.258 -4.661 750 HD2 HIS 97 HD2 HIS 97 19.906 12.162 -5.709 751 HE1 HIS 97 HE1 HIS 97 23.775 13.358 -6.950 752 HE2 HIS 97 HE2 HIS 97 21.795 11.893 -7.442 753 H HIS 98 H HIS 98 21.255 17.459 -1.879 754 HA HIS 98 HA HIS 98 24.190 17.274 -1.863 755 HB2 HIS 98 2HB HIS 98 23.534 18.357 -4.046 756 HB3 HIS 98 1HB HIS 98 22.697 19.622 -3.157 757 HD1 HIS 98 HD1 HIS 98 24.182 21.389 -1.948 758 HD2 HIS 98 HD2 HIS 98 26.320 18.626 -4.207 759 HE1 HIS 98 HE1 HIS 98 26.504 22.333 -2.143 760 HE2 HIS 98 HE2 HIS 98 27.709 20.734 -3.663 761 H HIS 99 H HIS 99 25.165 18.926 -0.482 762 HA HIS 99 HA HIS 99 23.781 19.519 1.923 763 HB2 HIS 99 2HB HIS 99 26.388 20.686 0.854 764 HB3 HIS 99 1HB HIS 99 25.792 20.916 2.495 765 HD1 HIS 99 HD1 HIS 99 28.349 19.844 2.763 766 HD2 HIS 99 HD2 HIS 99 25.268 17.266 1.704 767 HE1 HIS 99 HE1 HIS 99 29.195 17.538 3.294 768 HE2 HIS 99 HE2 HIS 99 27.394 15.990 2.446 769 H HIS 100 H HIS 100 21.992 20.718 1.652 770 HA HIS 100 HA HIS 100 21.648 22.865 -0.187 771 HB2 HIS 100 2HB HIS 100 19.449 23.188 0.927 772 HB3 HIS 100 1HB HIS 100 19.743 21.490 0.573 773 HD1 HIS 100 HD1 HIS 100 19.813 23.907 3.506 774 HD2 HIS 100 HD2 HIS 100 19.600 19.820 2.767 775 HE1 HIS 100 HE1 HIS 100 19.403 22.836 5.741 776 HE2 HIS 100 HE2 HIS 100 19.237 20.374 5.264 777 H HIS 101 H HIS 101 21.026 25.094 0.445 778 HA HIS 101 HA HIS 101 22.739 26.188 2.579 779 HB2 HIS 101 2HB HIS 101 21.175 27.611 0.368 780 HB3 HIS 101 1HB HIS 101 22.258 28.393 1.512 781 HD1 HIS 101 HD1 HIS 101 24.684 28.503 0.908 782 HD2 HIS 101 HD2 HIS 101 22.588 25.830 -1.486 783 HE1 HIS 101 HE1 HIS 101 26.272 27.846 -0.915 784 HE2 HIS 101 HE2 HIS 101 24.966 26.291 -2.400 Start of MODEL 12 1 H1 MET 1 1H MET 1 -3.307 19.211 3.413 2 H2 MET 1 2H MET 1 -1.919 18.909 4.326 3 H3 MET 1 3H MET 1 -2.828 20.300 4.613 4 HA MET 1 HA MET 1 -3.156 18.611 6.295 5 HB2 MET 1 2HB MET 1 -5.625 18.725 6.309 6 HB3 MET 1 1HB MET 1 -4.925 20.265 5.836 7 HG2 MET 1 2HG MET 1 -5.423 19.762 3.466 8 HG3 MET 1 1HG MET 1 -6.152 18.228 3.963 9 HE1 MET 1 3HE MET 1 -9.242 19.519 6.081 10 HE2 MET 1 1HE MET 1 -7.635 19.154 6.708 11 HE3 MET 1 2HE MET 1 -8.373 18.091 5.508 12 H THR 2 H THR 2 -2.069 17.150 3.966 13 HA THR 2 HA THR 2 -3.663 14.662 4.140 14 HB THR 2 HB THR 2 -3.404 15.461 1.815 15 HG1 THR 2 HG1 THR 2 -1.812 13.136 2.285 16 HG21 THR 2 3HG2 THR 2 -1.247 16.649 1.971 17 HG22 THR 2 1HG2 THR 2 -1.225 15.446 0.674 18 HG23 THR 2 2HG2 THR 2 -0.414 15.109 2.207 19 H SER 3 H SER 3 -2.798 13.046 5.283 20 HA SER 3 HA SER 3 0.077 12.887 5.834 21 HB2 SER 3 2HB SER 3 -2.215 11.017 6.609 22 HB3 SER 3 1HB SER 3 -0.557 10.922 7.210 23 HG SER 3 HG SER 3 -1.136 13.316 7.777 24 H THR 4 H THR 4 1.185 10.741 5.258 25 HA THR 4 HA THR 4 0.766 10.109 2.506 26 HB THR 4 HB THR 4 2.384 8.361 4.399 27 HG1 THR 4 HG1 THR 4 4.083 9.842 4.087 28 HG21 THR 4 3HG2 THR 4 2.745 9.128 1.461 29 HG22 THR 4 1HG2 THR 4 2.172 7.566 2.054 30 HG23 THR 4 2HG2 THR 4 3.822 8.084 2.386 31 H PHE 5 H PHE 5 -0.581 8.877 5.460 32 HA PHE 5 HA PHE 5 -1.687 6.447 4.459 33 HB2 PHE 5 2HB PHE 5 -1.562 6.659 6.846 34 HB3 PHE 5 1HB PHE 5 -2.416 8.198 6.838 35 HD1 PHE 5 HD1 PHE 5 -2.988 4.582 5.861 36 HD2 PHE 5 HD2 PHE 5 -4.723 8.182 7.410 37 HE1 PHE 5 HE1 PHE 5 -5.136 3.430 6.177 38 HE2 PHE 5 HE2 PHE 5 -6.861 7.005 7.729 39 HZ PHE 5 HZ PHE 5 -7.070 4.631 7.112 40 H ASP 6 H ASP 6 -2.818 9.798 4.578 41 HA ASP 6 HA ASP 6 -5.519 9.610 4.062 42 HB2 ASP 6 2HB ASP 6 -4.381 11.764 4.531 43 HB3 ASP 6 1HB ASP 6 -3.550 11.674 2.994 44 H ARG 7 H ARG 7 -2.945 9.850 1.656 45 HA ARG 7 HA ARG 7 -4.651 9.722 -0.621 46 HB2 ARG 7 2HB ARG 7 -1.633 9.444 -0.382 47 HB3 ARG 7 1HB ARG 7 -2.510 9.668 -1.898 48 HG2 ARG 7 2HG ARG 7 -2.492 11.623 0.430 49 HG3 ARG 7 1HG ARG 7 -1.512 11.775 -1.035 50 HD2 ARG 7 2HD ARG 7 -3.402 12.241 -2.382 51 HD3 ARG 7 1HD ARG 7 -4.533 11.578 -1.208 52 HE ARG 7 HE ARG 7 -3.978 13.505 0.244 53 HH11 ARG 7 1HH1 ARG 7 -3.475 13.846 -3.218 54 HH12 ARG 7 2HH1 ARG 7 -3.790 15.551 -3.215 55 HH21 ARG 7 1HH2 ARG 7 -4.435 15.697 0.247 56 HH22 ARG 7 2HH2 ARG 7 -4.351 16.612 -1.226 57 H VAL 8 H VAL 8 -2.461 7.304 0.885 58 HA VAL 8 HA VAL 8 -2.904 5.149 -0.873 59 HB VAL 8 HB VAL 8 -2.350 5.042 2.143 60 HG11 VAL 8 1HG1 VAL 8 -1.974 2.865 0.047 61 HG12 VAL 8 2HG1 VAL 8 -3.187 2.866 1.328 62 HG13 VAL 8 3HG1 VAL 8 -1.473 2.755 1.736 63 HG21 VAL 8 3HG2 VAL 8 -0.614 6.298 0.909 64 HG22 VAL 8 1HG2 VAL 8 -0.397 4.935 -0.192 65 HG23 VAL 8 2HG2 VAL 8 0.022 4.768 1.516 66 H ALA 9 H ALA 9 -4.730 6.285 1.904 67 HA ALA 9 HA ALA 9 -6.500 4.120 2.294 68 HB1 ALA 9 3HB ALA 9 -6.112 5.823 4.034 69 HB2 ALA 9 1HB ALA 9 -7.832 5.718 3.644 70 HB3 ALA 9 2HB ALA 9 -6.862 7.053 3.013 71 H THR 10 H THR 10 -6.867 7.243 0.623 72 HA THR 10 HA THR 10 -9.392 6.920 -0.499 73 HB THR 10 HB THR 10 -6.981 8.488 -1.497 74 HG1 THR 10 HG1 THR 10 -8.351 10.208 -0.517 75 HG21 THR 10 3HG2 THR 10 -8.583 9.883 -2.767 76 HG22 THR 10 1HG2 THR 10 -9.893 8.778 -2.333 77 HG23 THR 10 2HG2 THR 10 -8.564 8.218 -3.357 78 H ILE 11 H ILE 11 -6.206 5.944 -1.791 79 HA ILE 11 HA ILE 11 -6.969 4.997 -4.328 80 HB ILE 11 HB ILE 11 -4.702 4.266 -2.452 81 HG12 ILE 11 2HG1 ILE 11 -4.574 6.501 -3.515 82 HG13 ILE 11 1HG1 ILE 11 -3.252 5.471 -4.061 83 HG21 ILE 11 1HG2 ILE 11 -5.054 2.206 -3.683 84 HG22 ILE 11 2HG2 ILE 11 -3.588 2.974 -4.292 85 HG23 ILE 11 3HG2 ILE 11 -5.086 3.073 -5.219 86 HD11 ILE 11 3HD1 ILE 11 -5.774 6.070 -5.602 87 HD12 ILE 11 1HD1 ILE 11 -4.425 5.074 -6.158 88 HD13 ILE 11 2HD1 ILE 11 -4.191 6.792 -5.859 89 H ILE 12 H ILE 12 -6.595 3.210 -1.281 90 HA ILE 12 HA ILE 12 -7.402 0.661 -2.176 91 HB ILE 12 HB ILE 12 -7.341 1.897 0.611 92 HG12 ILE 12 2HG1 ILE 12 -5.426 -0.029 -0.791 93 HG13 ILE 12 1HG1 ILE 12 -5.148 1.692 -0.556 94 HG21 ILE 12 1HG2 ILE 12 -7.770 -1.043 -0.062 95 HG22 ILE 12 2HG2 ILE 12 -8.945 0.035 0.691 96 HG23 ILE 12 3HG2 ILE 12 -7.473 -0.399 1.557 97 HD11 ILE 12 3HD1 ILE 12 -5.058 1.338 1.861 98 HD12 ILE 12 1HD1 ILE 12 -3.869 0.362 1.001 99 HD13 ILE 12 2HD1 ILE 12 -5.341 -0.387 1.618 100 H ALA 13 H ALA 13 -9.192 3.391 -0.898 101 HA ALA 13 HA ALA 13 -11.724 2.250 -0.507 102 HB1 ALA 13 3HB ALA 13 -11.060 5.118 -1.285 103 HB2 ALA 13 1HB ALA 13 -11.114 4.482 0.360 104 HB3 ALA 13 2HB ALA 13 -12.590 4.564 -0.600 105 H GLU 14 H GLU 14 -10.450 4.035 -3.293 106 HA GLU 14 HA GLU 14 -12.718 3.741 -4.956 107 HB2 GLU 14 2HB GLU 14 -9.840 4.455 -5.631 108 HB3 GLU 14 1HB GLU 14 -11.204 4.650 -6.735 109 HG2 GLU 14 2HG GLU 14 -12.221 6.291 -5.239 110 HG3 GLU 14 1HG GLU 14 -10.947 6.041 -4.045 111 H THR 15 H THR 15 -9.720 1.874 -4.662 112 HA THR 15 HA THR 15 -10.108 0.257 -6.993 113 HB THR 15 HB THR 15 -8.318 -0.208 -4.561 114 HG1 THR 15 HG1 THR 15 -7.568 1.574 -5.582 115 HG21 THR 15 3HG2 THR 15 -8.665 -2.343 -5.754 116 HG22 THR 15 1HG2 THR 15 -7.021 -1.748 -6.035 117 HG23 THR 15 2HG2 THR 15 -8.251 -1.571 -7.284 118 H CYS 16 H CYS 16 -10.271 -0.556 -3.499 119 HA CYS 16 HA CYS 16 -11.481 -3.139 -4.133 120 HB2 CYS 16 2HB CYS 16 -10.503 -2.061 -1.469 121 HB3 CYS 16 1HB CYS 16 -10.855 -3.745 -1.865 122 HG CYS 16 HG CYS 16 -8.561 -4.340 -2.841 123 H ASP 17 H ASP 17 -12.907 -0.284 -3.841 124 HA ASP 17 HA ASP 17 -14.996 0.453 -3.411 125 HB2 ASP 17 2HB ASP 17 -15.610 -2.532 -3.205 126 HB3 ASP 17 1HB ASP 17 -16.848 -1.280 -3.247 127 H ILE 18 H ILE 18 -13.084 -0.040 -1.151 128 HA ILE 18 HA ILE 18 -14.746 -0.696 1.168 129 HB ILE 18 HB ILE 18 -11.806 0.159 1.041 130 HG12 ILE 18 2HG1 ILE 18 -13.019 -2.630 1.286 131 HG13 ILE 18 1HG1 ILE 18 -12.202 -1.988 -0.133 132 HG21 ILE 18 1HG2 ILE 18 -11.623 -0.704 3.353 133 HG22 ILE 18 2HG2 ILE 18 -13.349 -1.069 3.370 134 HG23 ILE 18 3HG2 ILE 18 -12.801 0.606 3.265 135 HD11 ILE 18 3HD1 ILE 18 -10.773 -3.504 1.065 136 HD12 ILE 18 1HD1 ILE 18 -10.948 -2.563 2.546 137 HD13 ILE 18 2HD1 ILE 18 -10.111 -1.873 1.154 138 HA PRO 19 HA PRO 19 -15.861 3.734 1.609 139 HB2 PRO 19 2HB PRO 19 -16.494 2.789 4.408 140 HB3 PRO 19 1HB PRO 19 -17.475 3.769 3.306 141 HG2 PRO 19 2HG PRO 19 -18.066 1.201 3.670 142 HG3 PRO 19 1HG PRO 19 -18.144 1.904 2.036 143 HD2 PRO 19 2HD PRO 19 -15.997 0.162 3.255 144 HD3 PRO 19 1HD PRO 19 -16.690 0.115 1.617 145 H ARG 20 H ARG 20 -14.573 5.415 2.153 146 HA ARG 20 HA ARG 20 -11.994 5.225 3.215 147 HB2 ARG 20 2HB ARG 20 -12.723 7.091 1.770 148 HB3 ARG 20 1HB ARG 20 -13.860 7.636 2.994 149 HG2 ARG 20 2HG ARG 20 -11.982 9.123 3.031 150 HG3 ARG 20 1HG ARG 20 -11.928 8.153 4.501 151 HD2 ARG 20 2HD ARG 20 -10.269 6.631 3.218 152 HD3 ARG 20 1HD ARG 20 -10.141 7.965 2.058 153 HE ARG 20 HE ARG 20 -9.365 8.017 4.905 154 HH11 ARG 20 1HH1 ARG 20 -9.100 9.511 1.744 155 HH12 ARG 20 2HH1 ARG 20 -7.955 10.698 2.285 156 HH21 ARG 20 1HH2 ARG 20 -7.897 9.565 5.596 157 HH22 ARG 20 2HH2 ARG 20 -7.290 10.733 4.463 158 H GLU 21 H GLU 21 -15.064 5.849 4.785 159 HA GLU 21 HA GLU 21 -14.220 6.721 7.339 160 HB2 GLU 21 2HB GLU 21 -16.570 6.084 8.032 161 HB3 GLU 21 1HB GLU 21 -16.485 7.122 6.613 162 HG2 GLU 21 2HG GLU 21 -16.714 5.038 5.190 163 HG3 GLU 21 1HG GLU 21 -17.048 4.145 6.673 164 H THR 22 H THR 22 -14.656 3.443 6.009 165 HA THR 22 HA THR 22 -14.309 2.138 8.605 166 HB THR 22 HB THR 22 -14.518 0.010 7.315 167 HG1 THR 22 HG1 THR 22 -13.999 0.122 5.270 168 HG21 THR 22 3HG2 THR 22 -16.593 1.122 8.082 169 HG22 THR 22 1HG2 THR 22 -16.847 0.281 6.548 170 HG23 THR 22 2HG2 THR 22 -16.659 2.036 6.573 171 H ILE 23 H ILE 23 -12.335 3.167 5.985 172 HA ILE 23 HA ILE 23 -10.118 1.398 6.366 173 HB ILE 23 HB ILE 23 -10.268 4.144 5.022 174 HG12 ILE 23 2HG1 ILE 23 -10.255 1.314 3.865 175 HG13 ILE 23 1HG1 ILE 23 -11.659 2.369 3.968 176 HG21 ILE 23 1HG2 ILE 23 -8.103 3.602 3.961 177 HG22 ILE 23 2HG2 ILE 23 -7.999 2.120 4.909 178 HG23 ILE 23 3HG2 ILE 23 -7.947 3.684 5.718 179 HD11 ILE 23 3HD1 ILE 23 -10.785 2.290 1.737 180 HD12 ILE 23 1HD1 ILE 23 -9.199 2.823 2.292 181 HD13 ILE 23 2HD1 ILE 23 -10.589 3.911 2.401 182 H THR 24 H THR 24 -9.007 1.320 8.204 183 HA THR 24 HA THR 24 -8.313 3.782 9.706 184 HB THR 24 HB THR 24 -8.080 2.202 11.701 185 HG1 THR 24 HG1 THR 24 -8.826 0.115 11.485 186 HG21 THR 24 3HG2 THR 24 -10.507 1.961 12.112 187 HG22 THR 24 1HG2 THR 24 -10.830 2.254 10.401 188 HG23 THR 24 2HG2 THR 24 -10.153 3.540 11.404 189 HA PRO 25 HA PRO 25 -4.080 3.081 8.548 190 HB2 PRO 25 2HB PRO 25 -2.676 4.005 10.753 191 HB3 PRO 25 1HB PRO 25 -3.475 5.071 9.586 192 HG2 PRO 25 2HG PRO 25 -4.480 4.086 12.259 193 HG3 PRO 25 1HG PRO 25 -4.517 5.733 11.593 194 HD2 PRO 25 2HD PRO 25 -6.703 4.174 11.529 195 HD3 PRO 25 1HD PRO 25 -6.325 5.254 10.166 196 H GLU 26 H GLU 26 -5.092 1.743 11.633 197 HA GLU 26 HA GLU 26 -2.765 0.054 12.024 198 HB2 GLU 26 2HB GLU 26 -5.388 0.207 13.570 199 HB3 GLU 26 1HB GLU 26 -3.951 -0.688 14.075 200 HG2 GLU 26 2HG GLU 26 -2.694 1.449 14.218 201 HG3 GLU 26 1HG GLU 26 -4.146 2.333 13.740 202 H SER 27 H SER 27 -5.520 -0.192 10.154 203 HA SER 27 HA SER 27 -6.156 -2.986 10.375 204 HB2 SER 27 2HB SER 27 -7.859 -1.446 9.583 205 HB3 SER 27 1HB SER 27 -6.815 -0.853 8.289 206 HG SER 27 HG SER 27 -8.422 -3.047 8.366 207 H HIS 28 H HIS 28 -5.535 -4.650 9.015 208 HA HIS 28 HA HIS 28 -3.251 -4.266 7.178 209 HB2 HIS 28 2HB HIS 28 -3.119 -5.965 9.062 210 HB3 HIS 28 1HB HIS 28 -4.434 -6.844 8.306 211 HD2 HIS 28 HD2 HIS 28 -0.677 -6.808 8.347 212 HE1 HIS 28 HE1 HIS 28 -1.821 -8.995 4.934 213 HE2 HIS 28 HE2 HIS 28 -0.036 -8.658 6.681 214 H ALA 29 H ALA 29 -3.567 -4.540 4.993 215 HA ALA 29 HA ALA 29 -6.002 -4.504 3.725 216 HB1 ALA 29 3HB ALA 29 -3.413 -5.618 2.584 217 HB2 ALA 29 1HB ALA 29 -3.869 -3.913 2.627 218 HB3 ALA 29 2HB ALA 29 -4.799 -5.049 1.649 219 H ILE 30 H ILE 30 -3.908 -7.439 4.008 220 HA ILE 30 HA ILE 30 -5.884 -9.163 2.819 221 HB ILE 30 HB ILE 30 -3.359 -9.923 4.364 222 HG12 ILE 30 2HG1 ILE 30 -3.784 -9.655 1.344 223 HG13 ILE 30 1HG1 ILE 30 -2.867 -8.533 2.349 224 HG21 ILE 30 1HG2 ILE 30 -5.073 -11.643 2.527 225 HG22 ILE 30 2HG2 ILE 30 -4.935 -11.809 4.278 226 HG23 ILE 30 3HG2 ILE 30 -3.537 -12.130 3.253 227 HD11 ILE 30 3HD1 ILE 30 -1.404 -10.000 1.099 228 HD12 ILE 30 1HD1 ILE 30 -2.168 -11.422 1.805 229 HD13 ILE 30 2HD1 ILE 30 -1.243 -10.316 2.824 230 H ASP 31 H ASP 31 -4.561 -8.881 6.115 231 HA ASP 31 HA ASP 31 -6.016 -11.016 7.242 232 HB2 ASP 31 2HB ASP 31 -3.897 -10.315 8.194 233 HB3 ASP 31 1HB ASP 31 -4.513 -8.699 8.511 234 H ASP 32 H ASP 32 -6.575 -7.494 7.392 235 HA ASP 32 HA ASP 32 -8.946 -7.916 9.082 236 HB2 ASP 32 2HB ASP 32 -7.201 -6.238 9.781 237 HB3 ASP 32 1HB ASP 32 -7.575 -5.288 8.352 238 H LEU 33 H LEU 33 -8.087 -5.977 6.164 239 HA LEU 33 HA LEU 33 -10.819 -5.315 5.573 240 HB2 LEU 33 2HB LEU 33 -8.324 -5.018 3.860 241 HB3 LEU 33 1HB LEU 33 -9.897 -4.332 3.466 242 HG LEU 33 HG LEU 33 -8.149 -3.563 5.847 243 HD11 LEU 33 1HD1 LEU 33 -7.279 -2.717 3.728 244 HD12 LEU 33 2HD1 LEU 33 -7.913 -1.401 4.714 245 HD13 LEU 33 3HD1 LEU 33 -8.849 -2.003 3.342 246 HD21 LEU 33 3HD2 LEU 33 -9.820 -1.790 6.302 247 HD22 LEU 33 1HD2 LEU 33 -10.507 -3.404 6.488 248 HD23 LEU 33 2HD2 LEU 33 -10.869 -2.451 5.046 249 H GLY 34 H GLY 34 -8.676 -7.909 4.585 250 HA2 GLY 34 2HA GLY 34 -9.315 -9.975 3.706 251 HA3 GLY 34 1HA GLY 34 -10.902 -9.324 3.321 252 H ILE 35 H ILE 35 -8.265 -7.409 2.270 253 HA ILE 35 HA ILE 35 -8.810 -7.763 -0.511 254 HB ILE 35 HB ILE 35 -6.403 -6.400 0.784 255 HG12 ILE 35 2HG1 ILE 35 -9.028 -5.131 -0.119 256 HG13 ILE 35 1HG1 ILE 35 -8.595 -5.451 1.559 257 HG21 ILE 35 1HG2 ILE 35 -6.013 -6.881 -1.608 258 HG22 ILE 35 2HG2 ILE 35 -6.190 -5.146 -1.348 259 HG23 ILE 35 3HG2 ILE 35 -7.527 -6.074 -2.031 260 HD11 ILE 35 3HD1 ILE 35 -8.263 -3.126 1.016 261 HD12 ILE 35 1HD1 ILE 35 -7.188 -3.549 -0.315 262 HD13 ILE 35 2HD1 ILE 35 -6.711 -3.887 1.349 263 H ASP 36 H ASP 36 -8.005 -9.308 -1.825 264 HA ASP 36 HA ASP 36 -6.024 -11.218 -0.910 265 HB2 ASP 36 2HB ASP 36 -7.363 -10.901 -3.646 266 HB3 ASP 36 1HB ASP 36 -6.404 -12.287 -3.128 267 H SER 37 H SER 37 -3.883 -11.423 -1.778 268 HA SER 37 HA SER 37 -2.465 -9.153 -2.548 269 HB2 SER 37 2HB SER 37 -1.441 -11.174 -1.525 270 HB3 SER 37 1HB SER 37 -1.742 -12.083 -3.006 271 HG SER 37 HG SER 37 0.161 -10.127 -2.452 272 H LEU 38 H LEU 38 -4.453 -11.228 -4.488 273 HA LEU 38 HA LEU 38 -3.442 -10.618 -7.086 274 HB2 LEU 38 2HB LEU 38 -6.274 -11.395 -6.276 275 HB3 LEU 38 1HB LEU 38 -5.597 -11.496 -7.895 276 HG LEU 38 HG LEU 38 -4.731 -13.166 -5.502 277 HD11 LEU 38 1HD1 LEU 38 -6.936 -13.829 -6.304 278 HD12 LEU 38 2HD1 LEU 38 -5.746 -15.065 -6.704 279 HD13 LEU 38 3HD1 LEU 38 -6.326 -13.964 -7.957 280 HD21 LEU 38 3HD2 LEU 38 -3.757 -13.275 -8.378 281 HD22 LEU 38 1HD2 LEU 38 -3.342 -14.431 -7.108 282 HD23 LEU 38 2HD2 LEU 38 -2.824 -12.755 -6.972 283 H ASP 39 H ASP 39 -6.175 -9.326 -5.169 284 HA ASP 39 HA ASP 39 -6.889 -7.267 -7.039 285 HB2 ASP 39 2HB ASP 39 -8.509 -8.294 -5.420 286 HB3 ASP 39 1HB ASP 39 -7.639 -7.533 -4.087 287 H PHE 40 H PHE 40 -4.685 -7.469 -4.372 288 HA PHE 40 HA PHE 40 -4.299 -4.718 -3.832 289 HB2 PHE 40 2HB PHE 40 -3.652 -6.755 -2.385 290 HB3 PHE 40 1HB PHE 40 -2.224 -6.895 -3.401 291 HD1 PHE 40 HD2 PHE 40 -3.904 -4.853 -0.810 292 HD2 PHE 40 HD1 PHE 40 -0.402 -5.245 -3.212 293 HE1 PHE 40 HE2 PHE 40 -2.741 -3.204 0.599 294 HE2 PHE 40 HE1 PHE 40 0.755 -3.594 -1.804 295 HZ PHE 40 HZ PHE 40 -0.416 -2.574 0.101 296 H LEU 41 H LEU 41 -3.149 -6.785 -6.400 297 HA LEU 41 HA LEU 41 -0.879 -5.388 -7.321 298 HB2 LEU 41 2HB LEU 41 -2.994 -6.938 -8.860 299 HB3 LEU 41 1HB LEU 41 -1.497 -6.374 -9.578 300 HG LEU 41 HG LEU 41 -1.611 -8.359 -7.259 301 HD11 LEU 41 1HD1 LEU 41 -2.614 -9.367 -9.261 302 HD12 LEU 41 2HD1 LEU 41 -1.057 -10.108 -8.897 303 HD13 LEU 41 3HD1 LEU 41 -1.189 -8.936 -10.210 304 HD21 LEU 41 3HD2 LEU 41 0.756 -8.781 -7.797 305 HD22 LEU 41 1HD2 LEU 41 0.488 -7.101 -7.351 306 HD23 LEU 41 2HD2 LEU 41 0.702 -7.532 -9.044 307 H ASP 42 H ASP 42 -4.342 -4.800 -7.830 308 HA ASP 42 HA ASP 42 -3.976 -2.663 -9.743 309 HB2 ASP 42 2HB ASP 42 -5.989 -4.188 -9.706 310 HB3 ASP 42 1HB ASP 42 -6.503 -3.407 -8.213 311 H ILE 43 H ILE 43 -4.403 -2.904 -6.244 312 HA ILE 43 HA ILE 43 -4.803 -0.159 -5.617 313 HB ILE 43 HB ILE 43 -3.359 -2.332 -4.020 314 HG12 ILE 43 2HG1 ILE 43 -6.219 -1.275 -3.824 315 HG13 ILE 43 1HG1 ILE 43 -5.727 -2.870 -4.397 316 HG21 ILE 43 1HG2 ILE 43 -3.609 -0.905 -2.016 317 HG22 ILE 43 2HG2 ILE 43 -4.288 0.386 -3.008 318 HG23 ILE 43 3HG2 ILE 43 -2.612 -0.112 -3.237 319 HD11 ILE 43 3HD1 ILE 43 -6.604 -3.008 -2.162 320 HD12 ILE 43 1HD1 ILE 43 -5.457 -1.803 -1.587 321 HD13 ILE 43 2HD1 ILE 43 -4.885 -3.382 -2.135 322 H ALA 44 H ALA 44 -1.895 -2.149 -5.957 323 HA ALA 44 HA ALA 44 0.044 -0.161 -5.366 324 HB1 ALA 44 3HB ALA 44 0.366 -2.744 -6.933 325 HB2 ALA 44 1HB ALA 44 0.494 -2.577 -5.181 326 HB3 ALA 44 2HB ALA 44 1.675 -1.788 -6.231 327 H PHE 45 H PHE 45 -1.481 -1.219 -8.354 328 HA PHE 45 HA PHE 45 0.099 0.259 -10.191 329 HB2 PHE 45 2HB PHE 45 -1.420 -1.659 -10.805 330 HB3 PHE 45 1HB PHE 45 -2.804 -0.604 -10.547 331 HD1 PHE 45 HD2 PHE 45 0.302 -0.989 -12.600 332 HD2 PHE 45 HD1 PHE 45 -3.568 0.809 -12.328 333 HE1 PHE 45 HE2 PHE 45 0.491 -0.218 -14.926 334 HE2 PHE 45 HE1 PHE 45 -3.367 1.576 -14.653 335 HZ PHE 45 HZ PHE 45 -1.340 1.066 -15.956 336 H ALA 46 H ALA 46 -2.940 0.983 -8.526 337 HA ALA 46 HA ALA 46 -3.403 3.564 -9.604 338 HB1 ALA 46 3HB ALA 46 -4.331 2.377 -6.972 339 HB2 ALA 46 1HB ALA 46 -5.159 2.231 -8.522 340 HB3 ALA 46 2HB ALA 46 -5.010 3.811 -7.749 341 H ILE 47 H ILE 47 -1.509 2.430 -6.860 342 HA ILE 47 HA ILE 47 -0.925 4.930 -5.629 343 HB ILE 47 HB ILE 47 0.467 2.221 -5.551 344 HG12 ILE 47 2HG1 ILE 47 -1.074 3.683 -3.358 345 HG13 ILE 47 1HG1 ILE 47 -1.826 2.536 -4.459 346 HG21 ILE 47 1HG2 ILE 47 1.233 4.670 -3.915 347 HG22 ILE 47 2HG2 ILE 47 2.229 3.874 -5.132 348 HG23 ILE 47 3HG2 ILE 47 1.830 3.035 -3.636 349 HD11 ILE 47 3HD1 ILE 47 0.411 1.881 -2.546 350 HD12 ILE 47 1HD1 ILE 47 -0.466 0.746 -3.578 351 HD13 ILE 47 2HD1 ILE 47 -1.302 1.579 -2.269 352 H ASP 48 H ASP 48 0.751 2.980 -8.104 353 HA ASP 48 HA ASP 48 3.027 4.505 -8.604 354 HB2 ASP 48 2HB ASP 48 1.293 3.052 -10.665 355 HB3 ASP 48 1HB ASP 48 2.918 3.647 -10.981 356 H LYS 49 H LYS 49 -0.249 4.881 -9.894 357 HA LYS 49 HA LYS 49 0.292 7.017 -11.695 358 HB2 LYS 49 2HB LYS 49 -2.344 6.061 -10.491 359 HB3 LYS 49 1HB LYS 49 -2.187 7.110 -11.899 360 HG2 LYS 49 2HG LYS 49 -1.203 5.324 -13.199 361 HG3 LYS 49 1HG LYS 49 -1.073 4.295 -11.775 362 HD2 LYS 49 2HD LYS 49 -2.932 3.452 -12.989 363 HD3 LYS 49 1HD LYS 49 -3.621 4.346 -11.637 364 HE2 LYS 49 2HE LYS 49 -3.350 5.470 -14.452 365 HE3 LYS 49 1HE LYS 49 -4.803 4.685 -13.844 366 HZ1 LYS 49 3HZ LYS 49 -3.589 7.180 -12.792 367 HZ2 LYS 49 1HZ LYS 49 -4.957 6.421 -12.152 368 HZ3 LYS 49 2HZ LYS 49 -4.993 7.056 -13.713 369 H ALA 50 H ALA 50 -1.218 6.878 -8.465 370 HA ALA 50 HA ALA 50 -2.017 9.586 -8.286 371 HB1 ALA 50 3HB ALA 50 -1.544 7.609 -6.030 372 HB2 ALA 50 1HB ALA 50 -3.041 7.789 -6.947 373 HB3 ALA 50 2HB ALA 50 -2.476 9.107 -5.920 374 H PHE 51 H PHE 51 0.676 7.880 -6.679 375 HA PHE 51 HA PHE 51 1.766 10.295 -5.510 376 HB2 PHE 51 2HB PHE 51 2.769 7.418 -5.512 377 HB3 PHE 51 1HB PHE 51 3.521 8.731 -4.609 378 HD1 PHE 51 HD1 PHE 51 0.428 6.657 -4.878 379 HD2 PHE 51 HD2 PHE 51 2.604 9.464 -2.498 380 HE1 PHE 51 HE1 PHE 51 -1.078 6.226 -2.985 381 HE2 PHE 51 HE2 PHE 51 1.093 9.020 -0.607 382 HZ PHE 51 HZ PHE 51 -0.743 7.404 -0.852 383 H GLY 52 H GLY 52 2.239 8.537 -8.451 384 HA2 GLY 52 2HA GLY 52 3.561 8.977 -10.289 385 HA3 GLY 52 1HA GLY 52 4.196 10.394 -9.459 386 H ILE 53 H ILE 53 4.229 6.984 -8.502 387 HA ILE 53 HA ILE 53 7.194 6.996 -8.456 388 HB ILE 53 HB ILE 53 7.128 5.628 -6.378 389 HG12 ILE 53 2HG1 ILE 53 4.122 6.238 -6.344 390 HG13 ILE 53 1HG1 ILE 53 4.832 4.657 -6.658 391 HG21 ILE 53 1HG2 ILE 53 6.601 7.441 -4.789 392 HG22 ILE 53 2HG2 ILE 53 5.749 8.317 -6.064 393 HG23 ILE 53 3HG2 ILE 53 7.489 8.048 -6.190 394 HD11 ILE 53 3HD1 ILE 53 5.728 4.637 -4.369 395 HD12 ILE 53 1HD1 ILE 53 3.973 4.790 -4.412 396 HD13 ILE 53 2HD1 ILE 53 4.970 6.203 -4.074 397 H LYS 54 H LYS 54 8.053 4.718 -8.183 398 HA LYS 54 HA LYS 54 6.365 2.680 -9.499 399 HB2 LYS 54 2HB LYS 54 8.316 3.175 -10.869 400 HB3 LYS 54 1HB LYS 54 9.403 2.974 -9.502 401 HG2 LYS 54 2HG LYS 54 9.171 0.627 -9.489 402 HG3 LYS 54 1HG LYS 54 7.664 0.667 -10.408 403 HD2 LYS 54 2HD LYS 54 10.358 1.476 -11.575 404 HD3 LYS 54 1HD LYS 54 9.705 -0.162 -11.686 405 HE2 LYS 54 2HE LYS 54 8.389 2.347 -12.807 406 HE3 LYS 54 1HE LYS 54 9.255 1.129 -13.745 407 HZ1 LYS 54 3HZ LYS 54 6.789 0.623 -12.160 408 HZ2 LYS 54 1HZ LYS 54 7.600 -0.505 -13.125 409 HZ3 LYS 54 2HZ LYS 54 6.846 0.830 -13.836 410 H LEU 55 H LEU 55 5.364 2.099 -7.616 411 HA LEU 55 HA LEU 55 6.713 0.990 -5.355 412 HB2 LEU 55 2HB LEU 55 4.358 1.913 -5.335 413 HB3 LEU 55 1HB LEU 55 3.847 0.543 -6.305 414 HG LEU 55 HG LEU 55 5.096 0.149 -3.548 415 HD11 LEU 55 1HD1 LEU 55 2.143 0.555 -4.113 416 HD12 LEU 55 2HD1 LEU 55 3.199 1.649 -3.217 417 HD13 LEU 55 3HD1 LEU 55 2.843 0.050 -2.569 418 HD21 LEU 55 3HD2 LEU 55 3.207 -1.612 -5.156 419 HD22 LEU 55 1HD2 LEU 55 3.808 -1.967 -3.532 420 HD23 LEU 55 2HD2 LEU 55 4.928 -1.896 -4.889 421 HA PRO 56 HA PRO 56 7.403 -2.850 -7.750 422 HB2 PRO 56 2HB PRO 56 9.604 -3.730 -6.468 423 HB3 PRO 56 1HB PRO 56 9.676 -2.310 -7.522 424 HG2 PRO 56 2HG PRO 56 9.652 -2.456 -4.526 425 HG3 PRO 56 1HG PRO 56 10.488 -1.307 -5.588 426 HD2 PRO 56 2HD PRO 56 7.997 -0.894 -4.261 427 HD3 PRO 56 1HD PRO 56 8.711 0.146 -5.510 428 H LEU 57 H LEU 57 5.318 -3.582 -6.913 429 HA LEU 57 HA LEU 57 5.102 -4.866 -4.353 430 HB2 LEU 57 2HB LEU 57 3.145 -3.856 -5.529 431 HB3 LEU 57 1HB LEU 57 3.246 -5.111 -6.753 432 HG LEU 57 HG LEU 57 2.729 -6.845 -5.048 433 HD11 LEU 57 1HD1 LEU 57 3.699 -5.795 -3.049 434 HD12 LEU 57 2HD1 LEU 57 2.011 -6.218 -2.769 435 HD13 LEU 57 3HD1 LEU 57 2.454 -4.538 -3.081 436 HD21 LEU 57 3HD2 LEU 57 0.390 -6.326 -4.750 437 HD22 LEU 57 1HD2 LEU 57 0.906 -5.733 -6.325 438 HD23 LEU 57 2HD2 LEU 57 0.692 -4.603 -4.988 439 H GLU 58 H GLU 58 5.918 -5.892 -7.599 440 HA GLU 58 HA GLU 58 5.857 -8.692 -7.285 441 HB2 GLU 58 2HB GLU 58 7.473 -8.730 -9.169 442 HB3 GLU 58 1HB GLU 58 6.119 -7.651 -9.477 443 HG2 GLU 58 2HG GLU 58 7.540 -5.709 -8.869 444 HG3 GLU 58 1HG GLU 58 8.904 -6.797 -8.621 445 H LYS 59 H LYS 59 8.259 -6.286 -6.350 446 HA LYS 59 HA LYS 59 10.268 -8.075 -5.377 447 HB2 LYS 59 2HB LYS 59 10.957 -5.851 -5.975 448 HB3 LYS 59 1HB LYS 59 9.692 -5.111 -5.005 449 HG2 LYS 59 2HG LYS 59 10.879 -5.958 -2.947 450 HG3 LYS 59 1HG LYS 59 12.200 -6.487 -3.996 451 HD2 LYS 59 2HD LYS 59 12.654 -4.199 -4.671 452 HD3 LYS 59 1HD LYS 59 11.206 -3.616 -3.844 453 HE2 LYS 59 2HE LYS 59 13.303 -3.152 -2.579 454 HE3 LYS 59 1HE LYS 59 12.163 -4.152 -1.683 455 HZ1 LYS 59 3HZ LYS 59 14.488 -4.905 -1.539 456 HZ2 LYS 59 1HZ LYS 59 14.475 -5.228 -3.197 457 HZ3 LYS 59 2HZ LYS 59 13.452 -6.087 -2.157 458 H TRP 60 H TRP 60 7.668 -6.159 -3.837 459 HA TRP 60 HA TRP 60 8.368 -6.695 -1.157 460 HB2 TRP 60 2HB TRP 60 5.744 -5.716 -2.357 461 HB3 TRP 60 1HB TRP 60 6.048 -5.797 -0.622 462 HD1 TRP 60 HD1 TRP 60 9.202 -4.692 -2.174 463 HE1 TRP 60 HE1 TRP 60 9.444 -2.150 -2.055 464 HE3 TRP 60 HE3 TRP 60 4.414 -3.463 -0.867 465 HZ2 TRP 60 HZ2 TRP 60 7.881 0.076 -1.484 466 HZ3 TRP 60 HZ3 TRP 60 3.876 -1.080 -0.543 467 HH2 TRP 60 HH2 TRP 60 5.579 0.653 -0.842 468 H THR 61 H THR 61 5.815 -8.136 -3.176 469 HA THR 61 HA THR 61 4.898 -10.081 -1.424 470 HB THR 61 HB THR 61 5.014 -10.244 -4.475 471 HG1 THR 61 HG1 THR 61 3.691 -8.593 -4.310 472 HG21 THR 61 3HG2 THR 61 4.386 -12.413 -3.428 473 HG22 THR 61 1HG2 THR 61 3.007 -11.687 -4.263 474 HG23 THR 61 2HG2 THR 61 3.121 -11.603 -2.505 475 H GLN 62 H GLN 62 7.670 -10.135 -3.668 476 HA GLN 62 HA GLN 62 8.370 -12.873 -3.456 477 HB2 GLN 62 2HB GLN 62 9.235 -11.481 -5.281 478 HB3 GLN 62 1HB GLN 62 10.054 -10.425 -4.150 479 HG2 GLN 62 2HG GLN 62 11.631 -11.897 -5.299 480 HG3 GLN 62 1HG GLN 62 11.632 -12.194 -3.563 481 HE21 GLN 62 1HE2 GLN 62 10.932 -14.187 -2.796 482 HE22 GLN 62 2HE2 GLN 62 10.625 -15.542 -3.818 483 H GLU 63 H GLU 63 9.385 -9.998 -1.628 484 HA GLU 63 HA GLU 63 11.345 -11.233 0.001 485 HB2 GLU 63 2HB GLU 63 9.711 -8.700 0.438 486 HB3 GLU 63 1HB GLU 63 11.097 -9.160 1.429 487 HG2 GLU 63 2HG GLU 63 12.591 -8.960 -0.459 488 HG3 GLU 63 1HG GLU 63 11.247 -8.710 -1.569 489 H VAL 64 H VAL 64 7.834 -10.854 0.325 490 HA VAL 64 HA VAL 64 7.570 -11.845 2.972 491 HB VAL 64 HB VAL 64 5.603 -11.688 0.651 492 HG11 VAL 64 1HG1 VAL 64 4.846 -13.539 2.079 493 HG12 VAL 64 2HG1 VAL 64 3.777 -12.153 2.289 494 HG13 VAL 64 3HG1 VAL 64 4.986 -12.525 3.519 495 HG21 VAL 64 3HG2 VAL 64 4.612 -9.815 1.939 496 HG22 VAL 64 1HG2 VAL 64 6.314 -9.511 1.575 497 HG23 VAL 64 2HG2 VAL 64 5.836 -10.026 3.194 498 H ASN 65 H ASN 65 7.172 -13.424 -0.211 499 HA ASN 65 HA ASN 65 6.639 -16.023 0.796 500 HB2 ASN 65 2HB ASN 65 7.392 -15.049 -1.987 501 HB3 ASN 65 1HB ASN 65 7.170 -16.764 -1.642 502 HD21 ASN 65 1HD2 ASN 65 5.578 -13.758 -2.189 503 HD22 ASN 65 2HD2 ASN 65 3.960 -14.346 -2.112 504 H ASP 66 H ASP 66 9.643 -14.370 0.249 505 HA ASP 66 HA ASP 66 11.309 -16.750 0.274 506 HB2 ASP 66 2HB ASP 66 11.866 -14.753 -1.121 507 HB3 ASP 66 1HB ASP 66 12.003 -13.777 0.339 508 H GLY 67 H GLY 67 9.787 -14.754 2.578 509 HA2 GLY 67 2HA GLY 67 9.663 -15.046 4.856 510 HA3 GLY 67 1HA GLY 67 11.014 -16.163 4.790 511 H LYS 68 H LYS 68 11.420 -13.025 3.361 512 HA LYS 68 HA LYS 68 13.351 -12.239 5.433 513 HB2 LYS 68 2HB LYS 68 12.669 -10.940 2.754 514 HB3 LYS 68 1HB LYS 68 13.944 -10.396 3.848 515 HG2 LYS 68 2HG LYS 68 13.831 -13.113 2.512 516 HG3 LYS 68 1HG LYS 68 14.791 -11.745 1.943 517 HD2 LYS 68 2HD LYS 68 16.179 -11.808 3.947 518 HD3 LYS 68 1HD LYS 68 15.137 -13.028 4.688 519 HE2 LYS 68 2HE LYS 68 17.263 -13.963 3.771 520 HE3 LYS 68 1HE LYS 68 15.823 -14.689 3.057 521 HZ1 LYS 68 3HZ LYS 68 17.532 -14.178 1.417 522 HZ2 LYS 68 1HZ LYS 68 17.434 -12.532 1.803 523 HZ3 LYS 68 2HZ LYS 68 16.105 -13.326 1.118 524 H ALA 69 H ALA 69 10.604 -10.817 3.713 525 HA ALA 69 HA ALA 69 10.108 -8.880 5.881 526 HB1 ALA 69 3HB ALA 69 10.457 -7.959 3.613 527 HB2 ALA 69 1HB ALA 69 8.825 -7.632 4.200 528 HB3 ALA 69 2HB ALA 69 9.097 -8.912 3.012 529 H THR 70 H THR 70 7.928 -8.518 6.556 530 HA THR 70 HA THR 70 6.174 -10.897 6.456 531 HB THR 70 HB THR 70 5.028 -9.809 8.415 532 HG1 THR 70 HG1 THR 70 6.447 -8.024 9.354 533 HG21 THR 70 3HG2 THR 70 6.835 -10.157 10.075 534 HG22 THR 70 1HG2 THR 70 8.037 -10.144 8.774 535 HG23 THR 70 2HG2 THR 70 6.835 -11.434 8.861 536 H THR 71 H THR 71 3.850 -10.565 6.096 537 HA THR 71 HA THR 71 3.116 -8.612 4.147 538 HB THR 71 HB THR 71 0.712 -9.353 4.674 539 HG1 THR 71 HG1 THR 71 1.830 -11.473 6.150 540 HG21 THR 71 3HG2 THR 71 2.682 -11.566 3.991 541 HG22 THR 71 1HG2 THR 71 1.964 -10.426 2.845 542 HG23 THR 71 2HG2 THR 71 0.946 -11.600 3.682 543 H GLU 72 H GLU 72 2.950 -8.754 7.663 544 HA GLU 72 HA GLU 72 1.347 -6.537 8.219 545 HB2 GLU 72 2HB GLU 72 2.158 -8.098 9.960 546 HB3 GLU 72 1HB GLU 72 3.807 -7.520 9.730 547 HG2 GLU 72 2HG GLU 72 3.065 -5.250 10.501 548 HG3 GLU 72 1HG GLU 72 1.459 -5.910 10.806 549 H GLN 73 H GLN 73 4.827 -6.712 7.505 550 HA GLN 73 HA GLN 73 5.571 -4.059 7.980 551 HB2 GLN 73 2HB GLN 73 7.160 -5.932 7.695 552 HB3 GLN 73 1HB GLN 73 6.756 -6.037 5.986 553 HG2 GLN 73 2HG GLN 73 7.743 -3.835 5.573 554 HG3 GLN 73 1HG GLN 73 8.032 -3.619 7.302 555 HE21 GLN 73 1HE2 GLN 73 9.059 -5.297 4.416 556 HE22 GLN 73 2HE2 GLN 73 10.571 -5.847 5.040 557 H TYR 74 H TYR 74 4.008 -5.484 5.170 558 HA TYR 74 HA TYR 74 4.131 -2.893 3.732 559 HB2 TYR 74 2HB TYR 74 3.326 -5.626 2.647 560 HB3 TYR 74 1HB TYR 74 3.530 -4.145 1.709 561 HD1 TYR 74 HD1 TYR 74 5.993 -2.968 2.397 562 HD2 TYR 74 HD2 TYR 74 5.093 -7.146 2.280 563 HE1 TYR 74 HE1 TYR 74 8.367 -3.469 2.092 564 HE2 TYR 74 HE2 TYR 74 7.479 -7.634 1.967 565 HH TYR 74 HH TYR 74 9.501 -6.455 1.128 566 H PHE 75 H PHE 75 1.730 -5.523 3.903 567 HA PHE 75 HA PHE 75 -0.306 -4.013 2.802 568 HB2 PHE 75 2HB PHE 75 -0.467 -6.595 4.384 569 HB3 PHE 75 1HB PHE 75 -1.793 -5.935 3.433 570 HD1 PHE 75 HD1 PHE 75 1.707 -7.251 3.155 571 HD2 PHE 75 HD2 PHE 75 -1.931 -6.397 1.086 572 HE1 PHE 75 HE1 PHE 75 2.551 -8.441 1.178 573 HE2 PHE 75 HE2 PHE 75 -1.078 -7.589 -0.894 574 HZ PHE 75 HZ PHE 75 1.161 -8.615 -0.850 575 H VAL 76 H VAL 76 0.443 -4.255 6.311 576 HA VAL 76 HA VAL 76 -1.963 -3.077 7.277 577 HB VAL 76 HB VAL 76 0.870 -2.706 8.378 578 HG11 VAL 76 1HG1 VAL 76 -1.789 -2.022 9.704 579 HG12 VAL 76 2HG1 VAL 76 -0.572 -0.865 9.162 580 HG13 VAL 76 3HG1 VAL 76 -0.210 -1.962 10.495 581 HG21 VAL 76 3HG2 VAL 76 0.128 -5.042 8.455 582 HG22 VAL 76 1HG2 VAL 76 -1.354 -4.570 9.290 583 HG23 VAL 76 2HG2 VAL 76 0.213 -4.374 10.086 584 H LEU 77 H LEU 77 -2.713 -0.975 7.127 585 HA LEU 77 HA LEU 77 -1.963 0.255 4.722 586 HB2 LEU 77 2HB LEU 77 -3.770 1.469 6.834 587 HB3 LEU 77 1HB LEU 77 -3.786 1.785 5.102 588 HG LEU 77 HG LEU 77 -4.684 -0.752 6.530 589 HD11 LEU 77 1HD1 LEU 77 -6.851 -0.296 5.551 590 HD12 LEU 77 2HD1 LEU 77 -6.221 1.147 4.753 591 HD13 LEU 77 3HD1 LEU 77 -6.305 1.070 6.515 592 HD21 LEU 77 3HD2 LEU 77 -3.495 -1.487 4.535 593 HD22 LEU 77 1HD2 LEU 77 -4.406 -0.366 3.534 594 HD23 LEU 77 2HD2 LEU 77 -5.227 -1.719 4.316 595 H LYS 78 H LYS 78 -1.411 1.298 8.085 596 HA LYS 78 HA LYS 78 -0.100 3.752 7.474 597 HB2 LYS 78 2HB LYS 78 0.637 3.753 9.829 598 HB3 LYS 78 1HB LYS 78 -1.059 3.315 9.693 599 HG2 LYS 78 2HG LYS 78 -0.428 0.911 9.936 600 HG3 LYS 78 1HG LYS 78 1.245 1.413 10.204 601 HD2 LYS 78 2HD LYS 78 0.540 2.659 12.227 602 HD3 LYS 78 1HD LYS 78 -1.138 2.180 11.939 603 HE2 LYS 78 2HE LYS 78 -0.130 0.760 13.660 604 HE3 LYS 78 1HE LYS 78 -0.502 -0.193 12.227 605 HZ1 LYS 78 3HZ LYS 78 1.829 -0.087 11.598 606 HZ2 LYS 78 1HZ LYS 78 1.663 -0.746 13.144 607 HZ3 LYS 78 2HZ LYS 78 2.188 0.848 12.957 608 H ASN 79 H ASN 79 1.147 0.436 7.878 609 HA ASN 79 HA ASN 79 3.942 1.058 7.790 610 HB2 ASN 79 2HB ASN 79 2.440 -1.544 7.233 611 HB3 ASN 79 1HB ASN 79 4.194 -1.424 7.292 612 HD21 ASN 79 1HD2 ASN 79 4.222 -2.946 8.965 613 HD22 ASN 79 2HD2 ASN 79 3.772 -2.547 10.584 614 H LEU 80 H LEU 80 1.662 -0.164 5.386 615 HA LEU 80 HA LEU 80 3.041 -0.097 3.039 616 HB2 LEU 80 2HB LEU 80 0.688 -0.887 3.371 617 HB3 LEU 80 1HB LEU 80 0.156 0.775 3.522 618 HG LEU 80 HG LEU 80 0.788 1.192 1.144 619 HD11 LEU 80 1HD1 LEU 80 2.597 -0.432 0.873 620 HD12 LEU 80 2HD1 LEU 80 1.353 -0.693 -0.345 621 HD13 LEU 80 3HD1 LEU 80 1.454 -1.771 1.049 622 HD21 LEU 80 3HD2 LEU 80 -1.044 -0.095 0.128 623 HD22 LEU 80 1HD2 LEU 80 -1.518 0.532 1.707 624 HD23 LEU 80 2HD2 LEU 80 -1.086 -1.171 1.525 625 H ALA 81 H ALA 81 1.331 2.549 4.662 626 HA ALA 81 HA ALA 81 1.891 4.581 2.757 627 HB1 ALA 81 3HB ALA 81 0.005 4.739 4.312 628 HB2 ALA 81 1HB ALA 81 1.065 6.144 4.471 629 HB3 ALA 81 2HB ALA 81 1.119 4.852 5.676 630 H ALA 82 H ALA 82 3.718 3.294 5.473 631 HA ALA 82 HA ALA 82 5.659 5.424 5.595 632 HB1 ALA 82 3HB ALA 82 6.919 3.896 7.061 633 HB2 ALA 82 1HB ALA 82 5.825 2.576 6.636 634 HB3 ALA 82 2HB ALA 82 5.220 3.967 7.534 635 H ARG 83 H ARG 83 5.557 2.174 4.127 636 HA ARG 83 HA ARG 83 8.034 2.077 2.840 637 HB2 ARG 83 2HB ARG 83 5.338 0.892 2.047 638 HB3 ARG 83 1HB ARG 83 6.847 0.478 1.246 639 HG2 ARG 83 2HG ARG 83 6.226 -0.041 4.175 640 HG3 ARG 83 1HG ARG 83 6.146 -1.237 2.873 641 HD2 ARG 83 2HD ARG 83 8.625 0.231 3.845 642 HD3 ARG 83 1HD ARG 83 8.247 -1.469 4.107 643 HE ARG 83 HE ARG 83 8.530 -1.834 1.709 644 HH11 ARG 83 1HH1 ARG 83 9.816 1.200 2.896 645 HH12 ARG 83 2HH1 ARG 83 11.021 1.299 1.656 646 HH21 ARG 83 1HH2 ARG 83 10.098 -1.648 0.101 647 HH22 ARG 83 2HH2 ARG 83 11.161 -0.278 0.081 648 H ILE 84 H ILE 84 4.954 3.380 1.741 649 HA ILE 84 HA ILE 84 5.802 4.148 -0.886 650 HB ILE 84 HB ILE 84 3.331 4.868 0.744 651 HG12 ILE 84 2HG1 ILE 84 3.620 2.990 -1.647 652 HG13 ILE 84 1HG1 ILE 84 3.651 2.460 0.032 653 HG21 ILE 84 1HG2 ILE 84 2.283 5.713 -1.339 654 HG22 ILE 84 2HG2 ILE 84 3.817 5.524 -2.187 655 HG23 ILE 84 3HG2 ILE 84 3.678 6.691 -0.873 656 HD11 ILE 84 3HD1 ILE 84 1.490 2.084 -0.999 657 HD12 ILE 84 1HD1 ILE 84 1.326 3.807 -1.338 658 HD13 ILE 84 2HD1 ILE 84 1.365 3.231 0.334 659 H ASP 85 H ASP 85 5.253 5.928 2.174 660 HA ASP 85 HA ASP 85 6.114 8.446 1.510 661 HB2 ASP 85 2HB ASP 85 5.281 7.756 3.773 662 HB3 ASP 85 1HB ASP 85 6.835 6.993 4.094 663 H GLU 86 H GLU 86 8.120 5.604 2.179 664 HA GLU 86 HA GLU 86 10.637 6.884 2.037 665 HB2 GLU 86 2HB GLU 86 10.247 4.675 3.087 666 HB3 GLU 86 1HB GLU 86 9.905 3.977 1.512 667 HG2 GLU 86 2HG GLU 86 12.174 4.242 0.797 668 HG3 GLU 86 1HG GLU 86 12.567 5.252 2.187 669 H LEU 87 H LEU 87 8.661 5.203 -0.412 670 HA LEU 87 HA LEU 87 10.421 5.420 -2.602 671 HB2 LEU 87 2HB LEU 87 7.388 5.270 -2.624 672 HB3 LEU 87 1HB LEU 87 8.418 4.989 -4.021 673 HG LEU 87 HG LEU 87 8.391 3.271 -1.499 674 HD11 LEU 87 1HD1 LEU 87 7.213 2.687 -4.225 675 HD12 LEU 87 2HD1 LEU 87 6.315 3.017 -2.741 676 HD13 LEU 87 3HD1 LEU 87 7.296 1.559 -2.868 677 HD21 LEU 87 3HD2 LEU 87 9.801 1.695 -2.762 678 HD22 LEU 87 1HD2 LEU 87 10.601 3.252 -2.564 679 HD23 LEU 87 2HD2 LEU 87 9.876 2.827 -4.116 680 H VAL 88 H VAL 88 7.827 7.639 -1.524 681 HA VAL 88 HA VAL 88 8.201 9.506 -3.680 682 HB VAL 88 HB VAL 88 6.611 10.978 -2.583 683 HG11 VAL 88 1HG1 VAL 88 4.630 9.500 -2.372 684 HG12 VAL 88 2HG1 VAL 88 5.693 8.092 -2.305 685 HG13 VAL 88 3HG1 VAL 88 5.625 9.076 -3.768 686 HG21 VAL 88 3HG2 VAL 88 6.763 9.186 -0.130 687 HG22 VAL 88 1HG2 VAL 88 5.638 10.532 -0.343 688 HG23 VAL 88 2HG2 VAL 88 7.372 10.836 -0.245 689 H ALA 89 H ALA 89 9.565 9.078 -0.481 690 HA ALA 89 HA ALA 89 10.918 11.606 -0.335 691 HB1 ALA 89 3HB ALA 89 10.476 10.269 1.688 692 HB2 ALA 89 1HB ALA 89 12.202 10.603 1.507 693 HB3 ALA 89 2HB ALA 89 11.561 9.008 1.103 694 H ALA 90 H ALA 90 11.797 8.359 -1.515 695 HA ALA 90 HA ALA 90 14.440 8.590 -2.120 696 HB1 ALA 90 3HB ALA 90 12.372 7.122 -3.783 697 HB2 ALA 90 1HB ALA 90 13.152 6.506 -2.324 698 HB3 ALA 90 2HB ALA 90 14.111 6.812 -3.773 699 H LYS 91 H LYS 91 11.780 9.425 -4.391 700 HA LYS 91 HA LYS 91 13.457 10.472 -6.421 701 HB2 LYS 91 2HB LYS 91 11.429 11.596 -7.345 702 HB3 LYS 91 1HB LYS 91 11.187 9.887 -7.006 703 HG2 LYS 91 2HG LYS 91 9.950 10.467 -4.949 704 HG3 LYS 91 1HG LYS 91 10.187 12.187 -5.285 705 HD2 LYS 91 2HD LYS 91 8.869 11.988 -7.357 706 HD3 LYS 91 1HD LYS 91 8.707 10.247 -7.118 707 HE2 LYS 91 2HE LYS 91 6.638 11.359 -6.468 708 HE3 LYS 91 1HE LYS 91 7.415 10.680 -5.040 709 HZ1 LYS 91 3HZ LYS 91 7.486 13.522 -5.879 710 HZ2 LYS 91 1HZ LYS 91 8.282 12.891 -4.529 711 HZ3 LYS 91 2HZ LYS 91 6.596 12.883 -4.598 712 H GLY 92 H GLY 92 11.970 12.003 -3.592 713 HA2 GLY 92 2HA GLY 92 12.905 14.660 -4.033 714 HA3 GLY 92 1HA GLY 92 12.366 13.984 -2.504 715 H ALA 93 H ALA 93 14.505 11.803 -2.813 716 HA ALA 93 HA ALA 93 16.591 13.150 -1.340 717 HB1 ALA 93 3HB ALA 93 17.542 10.889 -1.087 718 HB2 ALA 93 1HB ALA 93 16.371 10.260 -2.245 719 HB3 ALA 93 2HB ALA 93 15.819 10.903 -0.696 720 H LEU 94 H LEU 94 16.231 11.608 -4.512 721 HA LEU 94 HA LEU 94 18.830 12.154 -5.505 722 HB2 LEU 94 2HB LEU 94 16.244 11.980 -7.100 723 HB3 LEU 94 1HB LEU 94 17.875 11.773 -7.727 724 HG LEU 94 HG LEU 94 16.394 9.888 -5.842 725 HD11 LEU 94 1HD1 LEU 94 17.359 9.448 -8.678 726 HD12 LEU 94 2HD1 LEU 94 15.689 9.717 -8.173 727 HD13 LEU 94 3HD1 LEU 94 16.539 8.266 -7.651 728 HD21 LEU 94 3HD2 LEU 94 18.747 9.937 -5.168 729 HD22 LEU 94 1HD2 LEU 94 19.258 9.634 -6.830 730 HD23 LEU 94 2HD2 LEU 94 18.361 8.404 -5.939 731 H GLU 95 H GLU 95 15.839 14.064 -5.430 732 HA GLU 95 HA GLU 95 16.904 16.382 -6.772 733 HB2 GLU 95 2HB GLU 95 14.411 16.000 -5.081 734 HB3 GLU 95 1HB GLU 95 14.790 17.490 -5.947 735 HG2 GLU 95 2HG GLU 95 14.333 14.763 -7.211 736 HG3 GLU 95 1HG GLU 95 13.169 16.090 -7.166 737 H HIS 96 H HIS 96 17.379 15.171 -3.656 738 HA HIS 96 HA HIS 96 18.068 17.682 -2.357 739 HB2 HIS 96 2HB HIS 96 17.179 15.811 -1.030 740 HB3 HIS 96 1HB HIS 96 18.476 14.763 -1.576 741 HD1 HIS 96 HD1 HIS 96 20.069 14.368 0.243 742 HD2 HIS 96 HD2 HIS 96 18.523 18.225 0.409 743 HE1 HIS 96 HE1 HIS 96 21.147 15.435 2.242 744 HE2 HIS 96 HE2 HIS 96 20.264 17.792 2.272 745 H HIS 97 H HIS 97 19.294 17.924 -4.588 746 HA HIS 97 HA HIS 97 21.153 18.342 -5.739 747 HB2 HIS 97 2HB HIS 97 22.540 17.756 -3.111 748 HB3 HIS 97 1HB HIS 97 23.406 18.299 -4.543 749 HD1 HIS 97 HD1 HIS 97 23.178 19.899 -1.807 750 HD2 HIS 97 HD2 HIS 97 21.003 20.654 -5.268 751 HE1 HIS 97 HE1 HIS 97 22.539 22.319 -1.682 752 HE2 HIS 97 HE2 HIS 97 21.369 22.790 -3.857 753 H HIS 98 H HIS 98 22.279 15.586 -3.742 754 HA HIS 98 HA HIS 98 23.079 13.542 -4.162 755 HB2 HIS 98 2HB HIS 98 21.199 13.134 -5.717 756 HB3 HIS 98 1HB HIS 98 22.080 13.909 -7.024 757 HD1 HIS 98 HD1 HIS 98 23.525 12.423 -8.423 758 HD2 HIS 98 HD2 HIS 98 22.439 10.612 -4.848 759 HE1 HIS 98 HE1 HIS 98 24.385 10.071 -8.582 760 HE2 HIS 98 HE2 HIS 98 23.838 9.049 -6.354 761 H HIS 99 H HIS 99 24.719 15.609 -3.943 762 HA HIS 99 HA HIS 99 26.830 15.604 -5.922 763 HB2 HIS 99 2HB HIS 99 26.427 17.593 -4.512 764 HB3 HIS 99 1HB HIS 99 26.755 16.662 -3.057 765 HD1 HIS 99 HD1 HIS 99 29.118 16.828 -2.212 766 HD2 HIS 99 HD2 HIS 99 28.853 17.793 -6.250 767 HE1 HIS 99 HE1 HIS 99 31.411 17.597 -2.878 768 HE2 HIS 99 HE2 HIS 99 31.189 18.319 -5.270 769 H HIS 100 H HIS 100 28.686 14.382 -5.896 770 HA HIS 100 HA HIS 100 28.723 11.964 -4.296 771 HB2 HIS 100 2HB HIS 100 30.710 12.962 -6.385 772 HB3 HIS 100 1HB HIS 100 30.723 11.360 -5.655 773 HD1 HIS 100 HD1 HIS 100 29.231 13.306 -8.392 774 HD2 HIS 100 HD2 HIS 100 28.508 9.690 -6.486 775 HE1 HIS 100 HE1 HIS 100 27.694 12.044 -9.911 776 HE2 HIS 100 HE2 HIS 100 27.424 9.796 -8.824 777 H HIS 101 H HIS 101 30.403 11.299 -2.898 778 HA HIS 101 HA HIS 101 32.669 12.952 -2.228 779 HB2 HIS 101 2HB HIS 101 30.997 14.105 -0.848 780 HB3 HIS 101 1HB HIS 101 30.451 12.581 -0.160 781 HD1 HIS 101 HD1 HIS 101 31.631 11.786 1.920 782 HD2 HIS 101 HD2 HIS 101 33.661 14.880 0.035 783 HE1 HIS 101 HE1 HIS 101 33.503 12.406 3.476 784 HE2 HIS 101 HE2 HIS 101 34.799 14.169 2.248 Start of MODEL 13 1 H1 MET 1 1H MET 1 -2.419 20.701 5.468 2 H2 MET 1 2H MET 1 -2.881 19.138 5.904 3 H3 MET 1 3H MET 1 -3.513 19.842 4.508 4 HA MET 1 HA MET 1 -1.347 19.881 3.492 5 HB2 MET 1 2HB MET 1 0.574 18.823 4.562 6 HB3 MET 1 1HB MET 1 -0.071 20.034 5.662 7 HG2 MET 1 2HG MET 1 -1.196 18.266 6.957 8 HG3 MET 1 1HG MET 1 -0.559 17.050 5.847 9 HE1 MET 1 3HE MET 1 1.552 16.311 9.044 10 HE2 MET 1 1HE MET 1 0.517 15.627 7.792 11 HE3 MET 1 2HE MET 1 -0.153 16.750 8.977 12 H THR 2 H THR 2 -0.504 17.971 2.344 13 HA THR 2 HA THR 2 -2.301 15.691 2.242 14 HB THR 2 HB THR 2 0.282 16.312 0.735 15 HG1 THR 2 HG1 THR 2 -1.606 17.545 0.182 16 HG21 THR 2 3HG2 THR 2 0.111 13.884 0.878 17 HG22 THR 2 1HG2 THR 2 -0.357 14.386 -0.749 18 HG23 THR 2 2HG2 THR 2 -1.595 13.934 0.429 19 H SER 3 H SER 3 -2.088 14.037 3.636 20 HA SER 3 HA SER 3 0.577 13.214 4.599 21 HB2 SER 3 2HB SER 3 -0.766 11.743 6.183 22 HB3 SER 3 1HB SER 3 -0.993 13.473 6.430 23 HG SER 3 HG SER 3 -3.016 12.826 6.357 24 H THR 4 H THR 4 1.395 11.247 4.025 25 HA THR 4 HA THR 4 0.680 10.100 1.568 26 HB THR 4 HB THR 4 2.363 8.844 3.781 27 HG1 THR 4 HG1 THR 4 4.083 9.905 2.802 28 HG21 THR 4 3HG2 THR 4 2.367 8.300 0.780 29 HG22 THR 4 1HG2 THR 4 1.756 7.206 2.023 30 HG23 THR 4 2HG2 THR 4 3.473 7.595 1.959 31 H PHE 5 H PHE 5 -0.255 9.243 4.879 32 HA PHE 5 HA PHE 5 -1.468 6.737 4.328 33 HB2 PHE 5 2HB PHE 5 -0.959 7.284 6.638 34 HB3 PHE 5 1HB PHE 5 -1.995 8.709 6.590 35 HD1 PHE 5 HD1 PHE 5 -2.173 4.970 6.136 36 HD2 PHE 5 HD2 PHE 5 -4.232 8.503 7.407 37 HE1 PHE 5 HE1 PHE 5 -4.109 3.618 6.810 38 HE2 PHE 5 HE2 PHE 5 -6.160 7.123 8.089 39 HZ PHE 5 HZ PHE 5 -6.099 4.682 7.781 40 H ASP 6 H ASP 6 -2.743 10.050 4.304 41 HA ASP 6 HA ASP 6 -5.492 9.498 4.069 42 HB2 ASP 6 2HB ASP 6 -4.402 11.770 4.518 43 HB3 ASP 6 1HB ASP 6 -4.033 11.864 2.810 44 H ARG 7 H ARG 7 -2.988 9.923 1.656 45 HA ARG 7 HA ARG 7 -4.632 9.706 -0.657 46 HB2 ARG 7 2HB ARG 7 -1.628 9.409 -0.314 47 HB3 ARG 7 1HB ARG 7 -2.450 9.533 -1.867 48 HG2 ARG 7 2HG ARG 7 -2.475 11.677 0.286 49 HG3 ARG 7 1HG ARG 7 -1.399 11.663 -1.113 50 HD2 ARG 7 2HD ARG 7 -3.321 11.833 -2.629 51 HD3 ARG 7 1HD ARG 7 -4.433 11.760 -1.256 52 HE ARG 7 HE ARG 7 -2.972 13.876 -0.573 53 HH11 ARG 7 1HH1 ARG 7 -4.487 13.169 -3.671 54 HH12 ARG 7 2HH1 ARG 7 -4.647 14.843 -4.086 55 HH21 ARG 7 1HH2 ARG 7 -3.176 16.041 -1.146 56 HH22 ARG 7 2HH2 ARG 7 -3.909 16.467 -2.659 57 H VAL 8 H VAL 8 -2.431 7.344 0.993 58 HA VAL 8 HA VAL 8 -2.910 5.103 -0.620 59 HB VAL 8 HB VAL 8 -2.354 5.222 2.392 60 HG11 VAL 8 1HG1 VAL 8 -1.668 2.841 2.261 61 HG12 VAL 8 2HG1 VAL 8 -2.212 2.773 0.583 62 HG13 VAL 8 3HG1 VAL 8 -3.379 3.041 1.878 63 HG21 VAL 8 3HG2 VAL 8 -0.550 6.167 1.013 64 HG22 VAL 8 1HG2 VAL 8 -0.482 4.691 0.054 65 HG23 VAL 8 2HG2 VAL 8 -0.027 4.658 1.758 66 H ALA 9 H ALA 9 -4.727 6.396 2.097 67 HA ALA 9 HA ALA 9 -6.572 4.313 2.490 68 HB1 ALA 9 3HB ALA 9 -7.833 5.943 3.847 69 HB2 ALA 9 1HB ALA 9 -6.837 7.253 3.201 70 HB3 ALA 9 2HB ALA 9 -6.106 6.006 4.212 71 H THR 10 H THR 10 -6.729 7.299 0.465 72 HA THR 10 HA THR 10 -9.422 6.772 -0.404 73 HB THR 10 HB THR 10 -8.437 9.106 -0.347 74 HG1 THR 10 HG1 THR 10 -9.540 8.271 -2.853 75 HG21 THR 10 3HG2 THR 10 -6.264 8.727 -1.426 76 HG22 THR 10 1HG2 THR 10 -7.201 9.912 -2.337 77 HG23 THR 10 2HG2 THR 10 -7.063 8.254 -2.925 78 H ILE 11 H ILE 11 -6.216 5.932 -1.622 79 HA ILE 11 HA ILE 11 -6.912 5.070 -4.222 80 HB ILE 11 HB ILE 11 -4.681 4.147 -2.355 81 HG12 ILE 11 2HG1 ILE 11 -4.421 6.456 -3.166 82 HG13 ILE 11 1HG1 ILE 11 -3.190 5.437 -3.897 83 HG21 ILE 11 1HG2 ILE 11 -3.616 3.019 -4.323 84 HG22 ILE 11 2HG2 ILE 11 -5.107 3.271 -5.231 85 HG23 ILE 11 3HG2 ILE 11 -5.111 2.248 -3.796 86 HD11 ILE 11 3HD1 ILE 11 -5.729 6.372 -5.231 87 HD12 ILE 11 1HD1 ILE 11 -4.465 5.384 -5.967 88 HD13 ILE 11 2HD1 ILE 11 -4.113 7.034 -5.466 89 H ILE 12 H ILE 12 -6.632 3.267 -1.170 90 HA ILE 12 HA ILE 12 -7.563 0.796 -2.228 91 HB ILE 12 HB ILE 12 -7.244 1.761 0.643 92 HG12 ILE 12 2HG1 ILE 12 -5.436 0.130 -1.207 93 HG13 ILE 12 1HG1 ILE 12 -5.133 1.761 -0.618 94 HG21 ILE 12 1HG2 ILE 12 -7.275 -0.614 1.330 95 HG22 ILE 12 2HG2 ILE 12 -7.670 -1.091 -0.322 96 HG23 ILE 12 3HG2 ILE 12 -8.816 -0.133 0.616 97 HD11 ILE 12 3HD1 ILE 12 -5.150 -0.770 1.009 98 HD12 ILE 12 1HD1 ILE 12 -4.904 0.855 1.654 99 HD13 ILE 12 2HD1 ILE 12 -3.747 0.175 0.512 100 H ALA 13 H ALA 13 -9.159 3.526 -0.635 101 HA ALA 13 HA ALA 13 -11.709 2.445 -0.194 102 HB1 ALA 13 3HB ALA 13 -12.524 4.769 -0.166 103 HB2 ALA 13 1HB ALA 13 -11.008 5.323 -0.890 104 HB3 ALA 13 2HB ALA 13 -11.011 4.621 0.730 105 H GLU 14 H GLU 14 -10.493 4.254 -3.050 106 HA GLU 14 HA GLU 14 -12.922 3.947 -4.520 107 HB2 GLU 14 2HB GLU 14 -10.181 4.994 -5.320 108 HB3 GLU 14 1HB GLU 14 -11.592 5.036 -6.378 109 HG2 GLU 14 2HG GLU 14 -11.327 6.442 -3.696 110 HG3 GLU 14 1HG GLU 14 -11.229 7.201 -5.287 111 H THR 15 H THR 15 -9.657 2.530 -4.950 112 HA THR 15 HA THR 15 -10.203 1.148 -7.346 113 HB THR 15 HB THR 15 -8.020 0.487 -5.308 114 HG1 THR 15 HG1 THR 15 -7.018 2.231 -5.957 115 HG21 THR 15 3HG2 THR 15 -8.255 -1.213 -7.095 116 HG22 THR 15 1HG2 THR 15 -6.745 -0.316 -7.260 117 HG23 THR 15 2HG2 THR 15 -8.108 0.047 -8.317 118 H CYS 16 H CYS 16 -9.940 -0.049 -3.975 119 HA CYS 16 HA CYS 16 -10.979 -2.672 -4.696 120 HB2 CYS 16 2HB CYS 16 -9.029 -2.448 -3.176 121 HB3 CYS 16 1HB CYS 16 -10.027 -1.580 -2.016 122 HG CYS 16 HG CYS 16 -9.369 -4.632 -1.885 123 H ASP 17 H ASP 17 -12.455 0.216 -4.091 124 HA ASP 17 HA ASP 17 -14.550 0.891 -3.614 125 HB2 ASP 17 2HB ASP 17 -15.216 -2.066 -3.910 126 HB3 ASP 17 1HB ASP 17 -16.429 -0.795 -3.781 127 H ILE 18 H ILE 18 -12.741 0.078 -1.394 128 HA ILE 18 HA ILE 18 -14.394 -1.057 0.686 129 HB ILE 18 HB ILE 18 -11.578 0.112 0.725 130 HG12 ILE 18 2HG1 ILE 18 -12.627 -2.756 0.816 131 HG13 ILE 18 1HG1 ILE 18 -11.742 -2.000 -0.503 132 HG21 ILE 18 1HG2 ILE 18 -11.304 -0.809 3.013 133 HG22 ILE 18 2HG2 ILE 18 -13.009 -1.257 3.042 134 HG23 ILE 18 3HG2 ILE 18 -12.547 0.443 2.967 135 HD11 ILE 18 3HD1 ILE 18 -10.330 -3.523 0.716 136 HD12 ILE 18 1HD1 ILE 18 -10.649 -2.675 2.227 137 HD13 ILE 18 2HD1 ILE 18 -9.752 -1.876 0.936 138 HA PRO 19 HA PRO 19 -16.208 2.849 2.203 139 HB2 PRO 19 2HB PRO 19 -16.646 1.849 4.821 140 HB3 PRO 19 1HB PRO 19 -17.790 1.781 3.478 141 HG2 PRO 19 2HG PRO 19 -15.886 -0.322 4.462 142 HG3 PRO 19 1HG PRO 19 -17.549 -0.502 3.863 143 HD2 PRO 19 2HD PRO 19 -15.455 -1.146 2.320 144 HD3 PRO 19 1HD PRO 19 -16.884 -0.353 1.616 145 H ARG 20 H ARG 20 -15.007 4.513 2.694 146 HA ARG 20 HA ARG 20 -12.410 4.538 3.779 147 HB2 ARG 20 2HB ARG 20 -13.273 6.274 2.247 148 HB3 ARG 20 1HB ARG 20 -14.453 6.782 3.444 149 HG2 ARG 20 2HG ARG 20 -12.652 8.387 3.371 150 HG3 ARG 20 1HG ARG 20 -12.606 7.545 4.921 151 HD2 ARG 20 2HD ARG 20 -10.774 6.106 4.061 152 HD3 ARG 20 1HD ARG 20 -10.802 7.003 2.533 153 HE ARG 20 HE ARG 20 -10.163 8.196 5.175 154 HH11 ARG 20 1HH1 ARG 20 -9.597 8.073 1.700 155 HH12 ARG 20 2HH1 ARG 20 -8.391 9.320 1.745 156 HH21 ARG 20 1HH2 ARG 20 -8.611 9.835 5.193 157 HH22 ARG 20 2HH2 ARG 20 -7.856 10.327 3.712 158 H GLU 21 H GLU 21 -15.564 4.839 5.262 159 HA GLU 21 HA GLU 21 -14.913 5.951 7.773 160 HB2 GLU 21 2HB GLU 21 -17.128 5.106 8.478 161 HB3 GLU 21 1HB GLU 21 -17.200 5.861 6.891 162 HG2 GLU 21 2HG GLU 21 -17.088 3.562 5.863 163 HG3 GLU 21 1HG GLU 21 -17.217 2.885 7.485 164 H THR 22 H THR 22 -14.624 2.677 6.568 165 HA THR 22 HA THR 22 -14.057 1.564 9.239 166 HB THR 22 HB THR 22 -14.160 -0.658 7.994 167 HG1 THR 22 HG1 THR 22 -13.755 0.137 5.894 168 HG21 THR 22 3HG2 THR 22 -16.647 1.080 7.772 169 HG22 THR 22 1HG2 THR 22 -16.157 0.168 9.202 170 HG23 THR 22 2HG2 THR 22 -16.616 -0.682 7.726 171 H ILE 23 H ILE 23 -12.344 2.996 6.746 172 HA ILE 23 HA ILE 23 -9.995 1.287 6.777 173 HB ILE 23 HB ILE 23 -10.610 3.987 5.507 174 HG12 ILE 23 2HG1 ILE 23 -9.974 1.247 4.310 175 HG13 ILE 23 1HG1 ILE 23 -11.566 1.990 4.392 176 HG21 ILE 23 1HG2 ILE 23 -8.366 3.955 4.431 177 HG22 ILE 23 2HG2 ILE 23 -7.922 2.577 5.436 178 HG23 ILE 23 3HG2 ILE 23 -8.266 4.132 6.186 179 HD11 ILE 23 3HD1 ILE 23 -10.654 2.124 2.168 180 HD12 ILE 23 1HD1 ILE 23 -9.223 2.963 2.762 181 HD13 ILE 23 2HD1 ILE 23 -10.805 3.744 2.850 182 H THR 24 H THR 24 -8.734 1.256 8.520 183 HA THR 24 HA THR 24 -8.101 3.754 9.999 184 HB THR 24 HB THR 24 -7.721 2.348 12.016 185 HG1 THR 24 HG1 THR 24 -8.712 0.191 10.437 186 HG21 THR 24 3HG2 THR 24 -9.979 3.300 11.734 187 HG22 THR 24 1HG2 THR 24 -10.064 1.719 12.523 188 HG23 THR 24 2HG2 THR 24 -10.471 1.876 10.814 189 HA PRO 25 HA PRO 25 -3.736 2.928 8.987 190 HB2 PRO 25 2HB PRO 25 -2.456 3.456 11.398 191 HB3 PRO 25 1HB PRO 25 -3.002 4.710 10.277 192 HG2 PRO 25 2HG PRO 25 -4.378 3.638 12.742 193 HG3 PRO 25 1HG PRO 25 -4.167 5.326 12.223 194 HD2 PRO 25 2HD PRO 25 -6.496 4.062 11.825 195 HD3 PRO 25 1HD PRO 25 -5.851 5.170 10.591 196 H GLU 26 H GLU 26 -5.296 1.351 11.670 197 HA GLU 26 HA GLU 26 -3.236 -0.630 12.166 198 HB2 GLU 26 2HB GLU 26 -6.087 -0.522 13.226 199 HB3 GLU 26 1HB GLU 26 -4.743 -1.444 13.901 200 HG2 GLU 26 2HG GLU 26 -3.606 0.679 14.481 201 HG3 GLU 26 1HG GLU 26 -4.965 1.584 13.813 202 H SER 27 H SER 27 -5.845 -0.307 9.954 203 HA SER 27 HA SER 27 -6.708 -2.981 9.632 204 HB2 SER 27 2HB SER 27 -6.655 -0.678 7.631 205 HB3 SER 27 1HB SER 27 -7.524 -2.196 7.392 206 HG SER 27 HG SER 27 -8.890 -1.684 9.017 207 H HIS 28 H HIS 28 -5.290 -4.626 9.216 208 HA HIS 28 HA HIS 28 -3.100 -4.454 7.315 209 HB2 HIS 28 2HB HIS 28 -3.214 -6.101 9.260 210 HB3 HIS 28 1HB HIS 28 -4.467 -6.963 8.379 211 HD2 HIS 28 HD2 HIS 28 -0.741 -6.957 8.767 212 HE1 HIS 28 HE1 HIS 28 -1.502 -8.965 5.145 213 HE2 HIS 28 HE2 HIS 28 0.119 -8.693 7.062 214 H ALA 29 H ALA 29 -3.324 -4.613 5.098 215 HA ALA 29 HA ALA 29 -5.714 -4.579 3.744 216 HB1 ALA 29 3HB ALA 29 -3.557 -3.934 2.732 217 HB2 ALA 29 1HB ALA 29 -4.466 -5.031 1.688 218 HB3 ALA 29 2HB ALA 29 -3.095 -5.632 2.626 219 H ILE 30 H ILE 30 -3.698 -7.500 4.292 220 HA ILE 30 HA ILE 30 -5.543 -9.239 2.914 221 HB ILE 30 HB ILE 30 -3.139 -9.917 4.650 222 HG12 ILE 30 2HG1 ILE 30 -3.401 -9.818 1.606 223 HG13 ILE 30 1HG1 ILE 30 -2.568 -8.623 2.596 224 HG21 ILE 30 1HG2 ILE 30 -4.680 -11.830 4.579 225 HG22 ILE 30 2HG2 ILE 30 -3.217 -12.181 3.659 226 HG23 ILE 30 3HG2 ILE 30 -4.708 -11.762 2.815 227 HD11 ILE 30 3HD1 ILE 30 -0.998 -10.107 1.512 228 HD12 ILE 30 1HD1 ILE 30 -1.768 -11.514 2.248 229 HD13 ILE 30 2HD1 ILE 30 -0.934 -10.331 3.260 230 H ASP 31 H ASP 31 -4.571 -8.844 6.331 231 HA ASP 31 HA ASP 31 -6.211 -10.972 7.304 232 HB2 ASP 31 2HB ASP 31 -4.127 -10.430 8.434 233 HB3 ASP 31 1HB ASP 31 -4.657 -8.783 8.737 234 H ASP 32 H ASP 32 -6.560 -7.442 7.336 235 HA ASP 32 HA ASP 32 -9.029 -7.586 8.931 236 HB2 ASP 32 2HB ASP 32 -7.184 -6.035 9.604 237 HB3 ASP 32 1HB ASP 32 -7.379 -5.163 8.092 238 H LEU 33 H LEU 33 -7.875 -5.979 5.931 239 HA LEU 33 HA LEU 33 -10.503 -5.087 5.171 240 HB2 LEU 33 2HB LEU 33 -7.919 -5.076 3.567 241 HB3 LEU 33 1HB LEU 33 -9.389 -4.217 3.138 242 HG LEU 33 HG LEU 33 -7.631 -3.635 5.557 243 HD11 LEU 33 1HD1 LEU 33 -7.074 -1.543 4.411 244 HD12 LEU 33 2HD1 LEU 33 -8.042 -2.028 3.016 245 HD13 LEU 33 3HD1 LEU 33 -6.593 -2.938 3.451 246 HD21 LEU 33 3HD2 LEU 33 -9.067 -1.655 5.913 247 HD22 LEU 33 1HD2 LEU 33 -9.973 -3.155 6.092 248 HD23 LEU 33 2HD2 LEU 33 -10.139 -2.196 4.617 249 H GLY 34 H GLY 34 -8.564 -7.920 4.499 250 HA2 GLY 34 2HA GLY 34 -9.324 -9.943 3.615 251 HA3 GLY 34 1HA GLY 34 -10.770 -9.145 3.023 252 H ILE 35 H ILE 35 -8.074 -7.393 2.123 253 HA ILE 35 HA ILE 35 -8.316 -7.847 -0.660 254 HB ILE 35 HB ILE 35 -6.069 -6.529 0.926 255 HG12 ILE 35 2HG1 ILE 35 -8.380 -5.211 -0.571 256 HG13 ILE 35 1HG1 ILE 35 -8.350 -5.465 1.171 257 HG21 ILE 35 1HG2 ILE 35 -5.390 -5.408 -1.179 258 HG22 ILE 35 2HG2 ILE 35 -6.590 -6.351 -2.064 259 HG23 ILE 35 3HG2 ILE 35 -5.226 -7.161 -1.295 260 HD11 ILE 35 3HD1 ILE 35 -6.410 -3.984 1.349 261 HD12 ILE 35 1HD1 ILE 35 -7.786 -3.188 0.586 262 HD13 ILE 35 2HD1 ILE 35 -6.439 -3.744 -0.401 263 H ASP 36 H ASP 36 -7.400 -9.317 -1.932 264 HA ASP 36 HA ASP 36 -5.274 -11.121 -0.977 265 HB2 ASP 36 2HB ASP 36 -7.294 -12.188 -1.936 266 HB3 ASP 36 1HB ASP 36 -7.127 -11.252 -3.410 267 H SER 37 H SER 37 -3.483 -11.559 -2.472 268 HA SER 37 HA SER 37 -1.949 -9.539 -3.406 269 HB2 SER 37 2HB SER 37 -0.807 -11.307 -4.816 270 HB3 SER 37 1HB SER 37 -1.101 -11.797 -3.148 271 HG SER 37 HG SER 37 -3.180 -12.679 -4.152 272 H LEU 38 H LEU 38 -4.595 -11.064 -5.213 273 HA LEU 38 HA LEU 38 -3.843 -10.012 -7.790 274 HB2 LEU 38 2HB LEU 38 -6.472 -11.274 -6.921 275 HB3 LEU 38 1HB LEU 38 -5.981 -10.964 -8.582 276 HG LEU 38 HG LEU 38 -4.788 -12.991 -6.657 277 HD11 LEU 38 1HD1 LEU 38 -6.873 -13.715 -7.691 278 HD12 LEU 38 2HD1 LEU 38 -5.518 -14.664 -8.297 279 HD13 LEU 38 3HD1 LEU 38 -6.221 -13.389 -9.298 280 HD21 LEU 38 3HD2 LEU 38 -3.758 -12.274 -9.422 281 HD22 LEU 38 1HD2 LEU 38 -3.229 -13.651 -8.448 282 HD23 LEU 38 2HD2 LEU 38 -2.933 -12.012 -7.881 283 H ASP 39 H ASP 39 -6.131 -9.169 -5.262 284 HA ASP 39 HA ASP 39 -7.418 -7.007 -6.627 285 HB2 ASP 39 2HB ASP 39 -8.428 -8.169 -4.667 286 HB3 ASP 39 1HB ASP 39 -7.152 -7.550 -3.630 287 H PHE 40 H PHE 40 -4.639 -7.314 -4.499 288 HA PHE 40 HA PHE 40 -4.195 -4.553 -4.019 289 HB2 PHE 40 2HB PHE 40 -3.380 -6.630 -2.640 290 HB3 PHE 40 1HB PHE 40 -2.018 -6.657 -3.753 291 HD1 PHE 40 HD2 PHE 40 -3.718 -4.705 -1.101 292 HD2 PHE 40 HD1 PHE 40 -0.269 -4.941 -3.610 293 HE1 PHE 40 HE2 PHE 40 -2.617 -2.968 0.240 294 HE2 PHE 40 HE1 PHE 40 0.825 -3.194 -2.264 295 HZ PHE 40 HZ PHE 40 -0.358 -2.207 -0.344 296 H LEU 41 H LEU 41 -3.379 -6.623 -6.687 297 HA LEU 41 HA LEU 41 -1.128 -5.394 -7.821 298 HB2 LEU 41 2HB LEU 41 -3.547 -6.632 -9.200 299 HB3 LEU 41 1HB LEU 41 -2.063 -6.199 -10.035 300 HG LEU 41 HG LEU 41 -2.297 -8.309 -7.856 301 HD11 LEU 41 1HD1 LEU 41 -1.961 -8.663 -10.845 302 HD12 LEU 41 2HD1 LEU 41 -3.405 -9.038 -9.901 303 HD13 LEU 41 3HD1 LEU 41 -1.923 -9.955 -9.640 304 HD21 LEU 41 3HD2 LEU 41 0.106 -7.567 -9.558 305 HD22 LEU 41 1HD2 LEU 41 0.020 -8.917 -8.423 306 HD23 LEU 41 2HD2 LEU 41 -0.079 -7.263 -7.829 307 H ASP 42 H ASP 42 -4.570 -4.669 -8.271 308 HA ASP 42 HA ASP 42 -4.271 -2.433 -10.016 309 HB2 ASP 42 2HB ASP 42 -6.623 -3.348 -8.298 310 HB3 ASP 42 1HB ASP 42 -6.720 -2.030 -9.468 311 H ILE 43 H ILE 43 -4.444 -2.787 -6.521 312 HA ILE 43 HA ILE 43 -4.797 -0.043 -5.843 313 HB ILE 43 HB ILE 43 -3.549 -2.348 -4.280 314 HG12 ILE 43 2HG1 ILE 43 -6.298 -1.027 -4.083 315 HG13 ILE 43 1HG1 ILE 43 -5.962 -2.599 -4.798 316 HG21 ILE 43 1HG2 ILE 43 -4.235 0.412 -3.200 317 HG22 ILE 43 2HG2 ILE 43 -2.617 -0.270 -3.373 318 HG23 ILE 43 3HG2 ILE 43 -3.750 -0.981 -2.228 319 HD11 ILE 43 3HD1 ILE 43 -5.673 -1.849 -1.894 320 HD12 ILE 43 1HD1 ILE 43 -5.259 -3.423 -2.586 321 HD13 ILE 43 2HD1 ILE 43 -6.928 -2.854 -2.619 322 H ALA 44 H ALA 44 -1.906 -2.077 -6.257 323 HA ALA 44 HA ALA 44 0.069 -0.160 -5.608 324 HB1 ALA 44 3HB ALA 44 1.664 -1.703 -6.676 325 HB2 ALA 44 1HB ALA 44 0.328 -2.592 -7.415 326 HB3 ALA 44 2HB ALA 44 0.524 -2.590 -5.662 327 H PHE 45 H PHE 45 -1.558 -0.995 -8.605 328 HA PHE 45 HA PHE 45 -0.071 0.527 -10.455 329 HB2 PHE 45 2HB PHE 45 -1.744 -1.283 -11.014 330 HB3 PHE 45 1HB PHE 45 -3.041 -0.172 -10.592 331 HD1 PHE 45 HD2 PHE 45 -0.214 -0.703 -12.961 332 HD2 PHE 45 HD1 PHE 45 -3.851 1.412 -12.236 333 HE1 PHE 45 HE2 PHE 45 -0.207 0.106 -15.280 334 HE2 PHE 45 HE1 PHE 45 -3.836 2.221 -14.563 335 HZ PHE 45 HZ PHE 45 -2.019 1.566 -16.088 336 H ALA 46 H ALA 46 -3.022 1.301 -8.634 337 HA ALA 46 HA ALA 46 -3.395 3.950 -9.579 338 HB1 ALA 46 3HB ALA 46 -5.207 2.653 -8.544 339 HB2 ALA 46 1HB ALA 46 -4.972 4.188 -7.704 340 HB3 ALA 46 2HB ALA 46 -4.367 2.689 -6.994 341 H ILE 47 H ILE 47 -1.469 2.593 -6.966 342 HA ILE 47 HA ILE 47 -0.843 5.040 -5.621 343 HB ILE 47 HB ILE 47 0.443 2.278 -5.581 344 HG12 ILE 47 2HG1 ILE 47 -1.114 3.742 -3.397 345 HG13 ILE 47 1HG1 ILE 47 -1.863 2.638 -4.543 346 HG21 ILE 47 1HG2 ILE 47 1.785 2.979 -3.626 347 HG22 ILE 47 2HG2 ILE 47 1.241 4.639 -3.844 348 HG23 ILE 47 3HG2 ILE 47 2.244 3.869 -5.074 349 HD11 ILE 47 3HD1 ILE 47 -0.591 0.791 -3.655 350 HD12 ILE 47 1HD1 ILE 47 -1.438 1.627 -2.353 351 HD13 ILE 47 2HD1 ILE 47 0.291 1.873 -2.579 352 H ASP 48 H ASP 48 0.831 3.102 -8.114 353 HA ASP 48 HA ASP 48 3.177 4.562 -8.485 354 HB2 ASP 48 2HB ASP 48 1.490 3.141 -10.597 355 HB3 ASP 48 1HB ASP 48 3.127 3.726 -10.883 356 H LYS 49 H LYS 49 -0.037 5.132 -9.771 357 HA LYS 49 HA LYS 49 0.717 7.284 -11.529 358 HB2 LYS 49 2HB LYS 49 -2.000 6.253 -10.618 359 HB3 LYS 49 1HB LYS 49 -1.760 7.455 -11.886 360 HG2 LYS 49 2HG LYS 49 -0.591 5.824 -13.271 361 HG3 LYS 49 1HG LYS 49 -0.667 4.623 -11.983 362 HD2 LYS 49 2HD LYS 49 -2.346 4.181 -13.729 363 HD3 LYS 49 1HD LYS 49 -3.109 4.525 -12.176 364 HE2 LYS 49 2HE LYS 49 -3.695 6.764 -12.902 365 HE3 LYS 49 1HE LYS 49 -2.763 6.579 -14.387 366 HZ1 LYS 49 3HZ LYS 49 -4.278 4.899 -15.127 367 HZ2 LYS 49 1HZ LYS 49 -5.142 6.294 -14.722 368 HZ3 LYS 49 2HZ LYS 49 -5.144 4.970 -13.674 369 H ALA 50 H ALA 50 -1.054 7.047 -8.427 370 HA ALA 50 HA ALA 50 -1.846 9.787 -8.342 371 HB1 ALA 50 3HB ALA 50 -2.671 9.288 -6.076 372 HB2 ALA 50 1HB ALA 50 -1.813 7.743 -6.101 373 HB3 ALA 50 2HB ALA 50 -3.148 8.028 -7.218 374 H PHE 51 H PHE 51 0.649 7.935 -6.610 375 HA PHE 51 HA PHE 51 1.729 10.287 -5.282 376 HB2 PHE 51 2HB PHE 51 2.696 7.400 -5.341 377 HB3 PHE 51 1HB PHE 51 3.432 8.678 -4.378 378 HD1 PHE 51 HD1 PHE 51 0.403 6.577 -4.771 379 HD2 PHE 51 HD2 PHE 51 2.414 9.433 -2.311 380 HE1 PHE 51 HE1 PHE 51 -1.141 6.076 -2.923 381 HE2 PHE 51 HE2 PHE 51 0.872 8.916 -0.466 382 HZ PHE 51 HZ PHE 51 -0.899 7.239 -0.771 383 H GLY 52 H GLY 52 2.183 8.687 -8.286 384 HA2 GLY 52 2HA GLY 52 3.588 9.055 -10.059 385 HA3 GLY 52 1HA GLY 52 4.162 10.499 -9.235 386 H ILE 53 H ILE 53 4.303 7.005 -8.482 387 HA ILE 53 HA ILE 53 7.240 7.180 -8.106 388 HB ILE 53 HB ILE 53 7.053 5.774 -6.063 389 HG12 ILE 53 2HG1 ILE 53 4.031 6.239 -6.213 390 HG13 ILE 53 1HG1 ILE 53 4.824 4.714 -6.606 391 HG21 ILE 53 1HG2 ILE 53 6.278 7.505 -4.505 392 HG22 ILE 53 2HG2 ILE 53 5.507 8.369 -5.836 393 HG23 ILE 53 3HG2 ILE 53 7.261 8.195 -5.800 394 HD11 ILE 53 3HD1 ILE 53 3.891 4.639 -4.392 395 HD12 ILE 53 1HD1 ILE 53 4.793 6.075 -3.917 396 HD13 ILE 53 2HD1 ILE 53 5.647 4.575 -4.292 397 H LYS 54 H LYS 54 7.996 4.837 -7.475 398 HA LYS 54 HA LYS 54 6.793 2.781 -9.227 399 HB2 LYS 54 2HB LYS 54 8.933 3.599 -10.132 400 HB3 LYS 54 1HB LYS 54 9.725 3.339 -8.583 401 HG2 LYS 54 2HG LYS 54 9.449 0.911 -8.828 402 HG3 LYS 54 1HG LYS 54 8.573 1.149 -10.345 403 HD2 LYS 54 2HD LYS 54 10.928 0.505 -10.757 404 HD3 LYS 54 1HD LYS 54 10.581 2.117 -11.388 405 HE2 LYS 54 2HE LYS 54 11.674 3.134 -9.410 406 HE3 LYS 54 1HE LYS 54 11.986 1.528 -8.750 407 HZ1 LYS 54 3HZ LYS 54 13.125 2.684 -11.229 408 HZ2 LYS 54 1HZ LYS 54 13.339 1.080 -10.739 409 HZ3 LYS 54 2HZ LYS 54 13.945 2.338 -9.793 410 H LEU 55 H LEU 55 5.548 1.927 -7.584 411 HA LEU 55 HA LEU 55 6.672 0.909 -5.115 412 HB2 LEU 55 2HB LEU 55 4.321 1.816 -5.313 413 HB3 LEU 55 1HB LEU 55 3.910 0.453 -6.334 414 HG LEU 55 HG LEU 55 4.919 0.014 -3.497 415 HD11 LEU 55 1HD1 LEU 55 2.611 -0.054 -2.674 416 HD12 LEU 55 2HD1 LEU 55 2.022 0.485 -4.251 417 HD13 LEU 55 3HD1 LEU 55 3.037 1.548 -3.274 418 HD21 LEU 55 3HD2 LEU 55 3.626 -2.079 -3.598 419 HD22 LEU 55 1HD2 LEU 55 4.815 -2.002 -4.898 420 HD23 LEU 55 2HD2 LEU 55 3.114 -1.695 -5.244 421 HA PRO 56 HA PRO 56 7.661 -2.865 -7.507 422 HB2 PRO 56 2HB PRO 56 9.729 -3.753 -6.017 423 HB3 PRO 56 1HB PRO 56 9.891 -2.316 -7.038 424 HG2 PRO 56 2HG PRO 56 9.553 -2.507 -4.065 425 HG3 PRO 56 1HG PRO 56 10.497 -1.343 -5.016 426 HD2 PRO 56 2HD PRO 56 7.894 -0.930 -3.949 427 HD3 PRO 56 1HD PRO 56 8.716 0.104 -5.137 428 H LEU 57 H LEU 57 5.472 -3.601 -6.839 429 HA LEU 57 HA LEU 57 5.045 -5.003 -4.387 430 HB2 LEU 57 2HB LEU 57 3.200 -3.979 -5.722 431 HB3 LEU 57 1HB LEU 57 3.455 -5.174 -6.980 432 HG LEU 57 HG LEU 57 2.804 -6.988 -5.411 433 HD11 LEU 57 1HD1 LEU 57 1.795 -6.452 -3.209 434 HD12 LEU 57 2HD1 LEU 57 2.287 -4.768 -3.401 435 HD13 LEU 57 3HD1 LEU 57 3.509 -6.039 -3.283 436 HD21 LEU 57 3HD2 LEU 57 1.077 -5.994 -6.841 437 HD22 LEU 57 1HD2 LEU 57 0.723 -4.783 -5.604 438 HD23 LEU 57 2HD2 LEU 57 0.397 -6.489 -5.293 439 H GLU 58 H GLU 58 6.119 -5.910 -7.592 440 HA GLU 58 HA GLU 58 6.099 -8.681 -7.549 441 HB2 GLU 58 2HB GLU 58 8.083 -8.520 -9.082 442 HB3 GLU 58 1HB GLU 58 6.746 -7.473 -9.547 443 HG2 GLU 58 2HG GLU 58 7.892 -5.520 -8.610 444 HG3 GLU 58 1HG GLU 58 9.207 -6.537 -8.029 445 H LYS 59 H LYS 59 8.345 -6.431 -6.037 446 HA LYS 59 HA LYS 59 10.222 -8.443 -5.145 447 HB2 LYS 59 2HB LYS 59 10.942 -6.147 -5.786 448 HB3 LYS 59 1HB LYS 59 10.010 -5.483 -4.447 449 HG2 LYS 59 2HG LYS 59 11.467 -6.725 -2.852 450 HG3 LYS 59 1HG LYS 59 12.402 -7.345 -4.215 451 HD2 LYS 59 2HD LYS 59 13.587 -5.457 -3.246 452 HD3 LYS 59 1HD LYS 59 12.994 -5.005 -4.843 453 HE2 LYS 59 2HE LYS 59 11.044 -3.864 -3.710 454 HE3 LYS 59 1HE LYS 59 11.824 -4.198 -2.160 455 HZ1 LYS 59 3HZ LYS 59 12.873 -2.531 -4.375 456 HZ2 LYS 59 1HZ LYS 59 13.767 -2.950 -3.002 457 HZ3 LYS 59 2HZ LYS 59 12.375 -2.010 -2.846 458 H TRP 60 H TRP 60 7.769 -6.307 -3.676 459 HA TRP 60 HA TRP 60 8.150 -6.890 -0.972 460 HB2 TRP 60 2HB TRP 60 5.615 -6.061 -2.455 461 HB3 TRP 60 1HB TRP 60 5.711 -6.161 -0.700 462 HD1 TRP 60 HD1 TRP 60 8.915 -4.745 -1.981 463 HE1 TRP 60 HE1 TRP 60 8.923 -2.193 -1.715 464 HE3 TRP 60 HE3 TRP 60 3.965 -4.009 -0.943 465 HZ2 TRP 60 HZ2 TRP 60 7.114 -0.144 -1.124 466 HZ3 TRP 60 HZ3 TRP 60 3.189 -1.712 -0.531 467 HH2 TRP 60 HH2 TRP 60 4.732 0.185 -0.616 468 H THR 61 H THR 61 5.796 -8.340 -3.219 469 HA THR 61 HA THR 61 4.729 -10.335 -1.655 470 HB THR 61 HB THR 61 5.234 -10.365 -4.672 471 HG1 THR 61 HG1 THR 61 3.948 -8.593 -3.642 472 HG21 THR 61 3HG2 THR 61 4.624 -12.630 -3.884 473 HG22 THR 61 1HG2 THR 61 3.292 -11.913 -4.795 474 HG23 THR 61 2HG2 THR 61 3.227 -11.971 -3.032 475 H GLN 62 H GLN 62 7.627 -10.488 -3.734 476 HA GLN 62 HA GLN 62 8.172 -13.239 -3.505 477 HB2 GLN 62 2HB GLN 62 9.095 -11.798 -5.302 478 HB3 GLN 62 1HB GLN 62 10.089 -10.946 -4.129 479 HG2 GLN 62 2HG GLN 62 11.428 -12.549 -5.389 480 HG3 GLN 62 1HG GLN 62 11.366 -13.010 -3.688 481 HE21 GLN 62 1HE2 GLN 62 10.231 -14.910 -3.100 482 HE22 GLN 62 2HE2 GLN 62 9.767 -16.089 -4.273 483 H GLU 63 H GLU 63 9.366 -10.460 -1.674 484 HA GLU 63 HA GLU 63 11.341 -11.902 -0.208 485 HB2 GLU 63 2HB GLU 63 10.168 -9.133 0.295 486 HB3 GLU 63 1HB GLU 63 11.565 -9.803 1.137 487 HG2 GLU 63 2HG GLU 63 11.354 -9.097 -1.808 488 HG3 GLU 63 1HG GLU 63 12.334 -8.297 -0.582 489 H VAL 64 H VAL 64 7.984 -10.915 0.467 490 HA VAL 64 HA VAL 64 7.957 -11.772 3.183 491 HB VAL 64 HB VAL 64 5.644 -11.411 1.224 492 HG11 VAL 64 1HG1 VAL 64 4.164 -11.408 3.222 493 HG12 VAL 64 2HG1 VAL 64 5.534 -11.852 4.240 494 HG13 VAL 64 3HG1 VAL 64 4.956 -12.967 2.998 495 HG21 VAL 64 3HG2 VAL 64 6.871 -9.323 1.730 496 HG22 VAL 64 1HG2 VAL 64 6.651 -9.600 3.461 497 HG23 VAL 64 2HG2 VAL 64 5.252 -9.282 2.431 498 H ASN 65 H ASN 65 7.064 -13.353 0.119 499 HA ASN 65 HA ASN 65 6.281 -15.853 1.205 500 HB2 ASN 65 2HB ASN 65 7.207 -15.101 -1.598 501 HB3 ASN 65 1HB ASN 65 6.581 -16.695 -1.184 502 HD21 ASN 65 1HD2 ASN 65 5.510 -14.849 -3.109 503 HD22 ASN 65 2HD2 ASN 65 3.901 -14.465 -2.615 504 H ASP 66 H ASP 66 9.410 -14.514 0.623 505 HA ASP 66 HA ASP 66 10.789 -17.108 0.756 506 HB2 ASP 66 2HB ASP 66 11.480 -15.250 -0.864 507 HB3 ASP 66 1HB ASP 66 12.018 -14.322 0.531 508 H GLY 67 H GLY 67 9.550 -14.855 2.905 509 HA2 GLY 67 2HA GLY 67 9.630 -14.831 5.223 510 HA3 GLY 67 1HA GLY 67 10.967 -15.971 5.184 511 H LYS 68 H LYS 68 11.611 -13.411 3.142 512 HA LYS 68 HA LYS 68 13.667 -12.222 4.722 513 HB2 LYS 68 2HB LYS 68 12.313 -11.220 2.189 514 HB3 LYS 68 1HB LYS 68 13.786 -10.548 2.869 515 HG2 LYS 68 2HG LYS 68 13.560 -13.413 1.915 516 HG3 LYS 68 1HG LYS 68 14.049 -12.074 0.873 517 HD2 LYS 68 2HD LYS 68 15.889 -11.621 2.656 518 HD3 LYS 68 1HD LYS 68 15.515 -13.238 3.263 519 HE2 LYS 68 2HE LYS 68 17.420 -13.299 1.711 520 HE3 LYS 68 1HE LYS 68 16.049 -14.181 1.029 521 HZ1 LYS 68 3HZ LYS 68 17.089 -12.773 -0.626 522 HZ2 LYS 68 1HZ LYS 68 16.856 -11.400 0.336 523 HZ3 LYS 68 2HZ LYS 68 15.523 -12.221 -0.305 524 H ALA 69 H ALA 69 10.274 -11.614 4.317 525 HA ALA 69 HA ALA 69 10.280 -9.386 6.213 526 HB1 ALA 69 3HB ALA 69 9.113 -9.081 3.413 527 HB2 ALA 69 1HB ALA 69 10.560 -8.269 4.016 528 HB3 ALA 69 2HB ALA 69 8.986 -7.901 4.722 529 H THR 70 H THR 70 8.045 -8.809 6.839 530 HA THR 70 HA THR 70 6.146 -11.074 6.691 531 HB THR 70 HB THR 70 6.739 -10.541 8.993 532 HG1 THR 70 HG1 THR 70 4.705 -10.401 9.780 533 HG21 THR 70 3HG2 THR 70 5.774 -7.706 8.510 534 HG22 THR 70 1HG2 THR 70 7.454 -8.188 8.728 535 HG23 THR 70 2HG2 THR 70 6.306 -8.372 10.051 536 H THR 71 H THR 71 3.937 -10.677 6.203 537 HA THR 71 HA THR 71 3.244 -8.765 4.261 538 HB THR 71 HB THR 71 0.838 -9.333 4.756 539 HG1 THR 71 HG1 THR 71 1.606 -11.227 6.675 540 HG21 THR 71 3HG2 THR 71 0.904 -11.741 4.266 541 HG22 THR 71 1HG2 THR 71 2.621 -11.791 4.685 542 HG23 THR 71 2HG2 THR 71 2.079 -10.866 3.283 543 H GLU 72 H GLU 72 3.051 -8.729 7.743 544 HA GLU 72 HA GLU 72 1.412 -6.551 8.281 545 HB2 GLU 72 2HB GLU 72 2.191 -8.165 9.962 546 HB3 GLU 72 1HB GLU 72 3.851 -7.618 9.762 547 HG2 GLU 72 2HG GLU 72 3.207 -5.406 10.695 548 HG3 GLU 72 1HG GLU 72 1.567 -6.008 10.940 549 H GLN 73 H GLN 73 4.863 -6.644 7.526 550 HA GLN 73 HA GLN 73 5.584 -3.999 8.197 551 HB2 GLN 73 2HB GLN 73 7.190 -5.856 7.910 552 HB3 GLN 73 1HB GLN 73 6.837 -5.918 6.189 553 HG2 GLN 73 2HG GLN 73 7.836 -3.697 5.878 554 HG3 GLN 73 1HG GLN 73 8.117 -3.564 7.617 555 HE21 GLN 73 1HE2 GLN 73 9.113 -5.165 4.669 556 HE22 GLN 73 2HE2 GLN 73 10.602 -5.791 5.273 557 H TYR 74 H TYR 74 4.148 -5.364 5.306 558 HA TYR 74 HA TYR 74 4.255 -2.749 3.930 559 HB2 TYR 74 2HB TYR 74 3.556 -5.491 2.780 560 HB3 TYR 74 1HB TYR 74 3.715 -3.990 1.864 561 HD1 TYR 74 HD1 TYR 74 6.057 -2.745 2.166 562 HD2 TYR 74 HD2 TYR 74 5.462 -6.914 2.866 563 HE1 TYR 74 HE1 TYR 74 8.461 -3.128 1.910 564 HE2 TYR 74 HE2 TYR 74 7.879 -7.294 2.591 565 HH TYR 74 HH TYR 74 9.815 -6.185 1.515 566 H PHE 75 H PHE 75 1.889 -5.423 3.962 567 HA PHE 75 HA PHE 75 -0.194 -4.002 2.904 568 HB2 PHE 75 2HB PHE 75 -0.189 -6.548 4.541 569 HB3 PHE 75 1HB PHE 75 -1.625 -5.949 3.718 570 HD1 PHE 75 HD1 PHE 75 1.823 -7.267 3.170 571 HD2 PHE 75 HD2 PHE 75 -1.909 -6.258 1.348 572 HE1 PHE 75 HE1 PHE 75 2.523 -8.396 1.094 573 HE2 PHE 75 HE2 PHE 75 -1.208 -7.389 -0.719 574 HZ PHE 75 HZ PHE 75 1.008 -8.455 -0.854 575 H VAL 76 H VAL 76 0.505 -4.182 6.438 576 HA VAL 76 HA VAL 76 -1.992 -3.136 7.338 577 HB VAL 76 HB VAL 76 0.748 -2.612 8.604 578 HG11 VAL 76 1HG1 VAL 76 -2.041 -2.321 9.803 579 HG12 VAL 76 2HG1 VAL 76 -0.940 -1.005 9.395 580 HG13 VAL 76 3HG1 VAL 76 -0.520 -2.131 10.684 581 HG21 VAL 76 3HG2 VAL 76 -1.288 -4.768 9.256 582 HG22 VAL 76 1HG2 VAL 76 0.198 -4.451 10.155 583 HG23 VAL 76 2HG2 VAL 76 0.281 -5.016 8.485 584 H LEU 77 H LEU 77 -2.795 -1.008 7.232 585 HA LEU 77 HA LEU 77 -1.886 0.414 4.985 586 HB2 LEU 77 2HB LEU 77 -3.877 1.352 7.073 587 HB3 LEU 77 1HB LEU 77 -3.650 2.070 5.484 588 HG LEU 77 HG LEU 77 -4.853 -0.622 6.167 589 HD11 LEU 77 1HD1 LEU 77 -6.753 0.173 4.847 590 HD12 LEU 77 2HD1 LEU 77 -5.916 1.697 4.542 591 HD13 LEU 77 3HD1 LEU 77 -6.384 1.258 6.186 592 HD21 LEU 77 3HD2 LEU 77 -4.961 -1.147 3.746 593 HD22 LEU 77 1HD2 LEU 77 -3.313 -1.122 4.367 594 HD23 LEU 77 2HD2 LEU 77 -3.916 0.237 3.416 595 H LYS 78 H LYS 78 -1.441 1.189 8.440 596 HA LYS 78 HA LYS 78 -0.186 3.693 8.120 597 HB2 LYS 78 2HB LYS 78 0.764 3.374 10.374 598 HB3 LYS 78 1HB LYS 78 -0.924 2.896 10.333 599 HG2 LYS 78 2HG LYS 78 -0.274 0.521 10.267 600 HG3 LYS 78 1HG LYS 78 1.432 0.983 10.278 601 HD2 LYS 78 2HD LYS 78 1.109 2.039 12.510 602 HD3 LYS 78 1HD LYS 78 -0.583 1.529 12.496 603 HE2 LYS 78 2HE LYS 78 0.118 -0.832 12.478 604 HE3 LYS 78 1HE LYS 78 1.814 -0.346 12.429 605 HZ1 LYS 78 3HZ LYS 78 1.520 0.717 14.584 606 HZ2 LYS 78 1HZ LYS 78 1.154 -0.932 14.654 607 HZ3 LYS 78 2HZ LYS 78 -0.090 0.209 14.633 608 H ASN 79 H ASN 79 1.119 0.426 7.952 609 HA ASN 79 HA ASN 79 3.899 1.208 7.852 610 HB2 ASN 79 2HB ASN 79 2.532 -1.491 7.414 611 HB3 ASN 79 1HB ASN 79 4.278 -1.256 7.513 612 HD21 ASN 79 1HD2 ASN 79 2.518 -2.850 9.239 613 HD22 ASN 79 2HD2 ASN 79 2.760 -2.256 10.841 614 H LEU 80 H LEU 80 1.526 -0.078 5.569 615 HA LEU 80 HA LEU 80 2.843 -0.032 3.170 616 HB2 LEU 80 2HB LEU 80 0.535 -0.878 3.563 617 HB3 LEU 80 1HB LEU 80 -0.038 0.765 3.770 618 HG LEU 80 HG LEU 80 0.435 1.257 1.394 619 HD11 LEU 80 1HD1 LEU 80 1.081 -0.533 -0.170 620 HD12 LEU 80 2HD1 LEU 80 1.328 -1.639 1.182 621 HD13 LEU 80 3HD1 LEU 80 2.349 -0.207 1.005 622 HD21 LEU 80 3HD2 LEU 80 -1.327 -0.139 0.399 623 HD22 LEU 80 1HD2 LEU 80 -1.789 0.412 2.008 624 HD23 LEU 80 2HD2 LEU 80 -1.245 -1.251 1.766 625 H ALA 81 H ALA 81 1.119 2.588 4.821 626 HA ALA 81 HA ALA 81 1.617 4.668 2.969 627 HB1 ALA 81 3HB ALA 81 1.051 4.882 5.946 628 HB2 ALA 81 1HB ALA 81 -0.165 4.817 4.666 629 HB3 ALA 81 2HB ALA 81 0.928 6.198 4.776 630 H ALA 82 H ALA 82 3.488 3.343 5.660 631 HA ALA 82 HA ALA 82 5.440 5.429 5.803 632 HB1 ALA 82 3HB ALA 82 5.026 3.899 7.688 633 HB2 ALA 82 1HB ALA 82 6.721 3.857 7.196 634 HB3 ALA 82 2HB ALA 82 5.632 2.547 6.731 635 H ARG 83 H ARG 83 5.362 2.229 4.199 636 HA ARG 83 HA ARG 83 7.895 2.258 2.997 637 HB2 ARG 83 2HB ARG 83 5.335 0.898 2.048 638 HB3 ARG 83 1HB ARG 83 6.940 0.560 1.402 639 HG2 ARG 83 2HG ARG 83 5.977 0.017 4.232 640 HG3 ARG 83 1HG ARG 83 6.281 -1.177 2.969 641 HD2 ARG 83 2HD ARG 83 8.318 0.571 4.388 642 HD3 ARG 83 1HD ARG 83 8.153 -1.186 4.497 643 HE ARG 83 HE ARG 83 8.683 -1.033 1.951 644 HH11 ARG 83 1HH1 ARG 83 10.179 0.935 4.464 645 HH12 ARG 83 2HH1 ARG 83 11.644 1.153 3.565 646 HH21 ARG 83 1HH2 ARG 83 10.618 -0.720 0.818 647 HH22 ARG 83 2HH2 ARG 83 11.890 0.224 1.523 648 H ILE 84 H ILE 84 4.777 3.392 1.827 649 HA ILE 84 HA ILE 84 5.675 4.201 -0.765 650 HB ILE 84 HB ILE 84 3.138 4.866 0.783 651 HG12 ILE 84 2HG1 ILE 84 3.547 2.924 -1.550 652 HG13 ILE 84 1HG1 ILE 84 3.536 2.439 0.144 653 HG21 ILE 84 1HG2 ILE 84 3.710 5.448 -2.146 654 HG22 ILE 84 2HG2 ILE 84 3.497 6.645 -0.868 655 HG23 ILE 84 3HG2 ILE 84 2.142 5.626 -1.355 656 HD11 ILE 84 3HD1 ILE 84 1.230 3.677 -1.349 657 HD12 ILE 84 1HD1 ILE 84 1.224 3.171 0.343 658 HD13 ILE 84 2HD1 ILE 84 1.422 1.975 -0.935 659 H ASP 85 H ASP 85 5.063 5.967 2.290 660 HA ASP 85 HA ASP 85 5.898 8.504 1.553 661 HB2 ASP 85 2HB ASP 85 4.928 7.929 3.779 662 HB3 ASP 85 1HB ASP 85 6.432 7.134 4.224 663 H GLU 86 H GLU 86 7.849 5.683 2.435 664 HA GLU 86 HA GLU 86 10.392 6.898 2.384 665 HB2 GLU 86 2HB GLU 86 9.596 4.550 3.276 666 HB3 GLU 86 1HB GLU 86 9.865 3.992 1.633 667 HG2 GLU 86 2HG GLU 86 11.965 5.213 3.458 668 HG3 GLU 86 1HG GLU 86 11.742 3.491 3.176 669 H LEU 87 H LEU 87 8.473 5.228 -0.116 670 HA LEU 87 HA LEU 87 10.257 5.407 -2.277 671 HB2 LEU 87 2HB LEU 87 7.218 5.304 -2.321 672 HB3 LEU 87 1HB LEU 87 8.237 5.053 -3.730 673 HG LEU 87 HG LEU 87 8.249 3.265 -1.261 674 HD11 LEU 87 1HD1 LEU 87 6.108 3.066 -2.426 675 HD12 LEU 87 2HD1 LEU 87 7.063 1.596 -2.604 676 HD13 LEU 87 3HD1 LEU 87 6.947 2.741 -3.945 677 HD21 LEU 87 3HD2 LEU 87 9.615 2.881 -3.946 678 HD22 LEU 87 1HD2 LEU 87 9.558 1.692 -2.641 679 HD23 LEU 87 2HD2 LEU 87 10.404 3.216 -2.404 680 H VAL 88 H VAL 88 7.686 7.692 -1.270 681 HA VAL 88 HA VAL 88 7.990 9.440 -3.528 682 HB VAL 88 HB VAL 88 6.462 11.014 -2.445 683 HG11 VAL 88 1HG1 VAL 88 4.458 9.578 -2.120 684 HG12 VAL 88 2HG1 VAL 88 5.501 8.155 -2.073 685 HG13 VAL 88 3HG1 VAL 88 5.393 9.120 -3.545 686 HG21 VAL 88 3HG2 VAL 88 7.281 10.920 -0.121 687 HG22 VAL 88 1HG2 VAL 88 6.617 9.295 0.059 688 HG23 VAL 88 2HG2 VAL 88 5.537 10.669 -0.176 689 H ALA 89 H ALA 89 9.325 9.340 -0.269 690 HA ALA 89 HA ALA 89 10.522 11.952 -0.325 691 HB1 ALA 89 3HB ALA 89 9.969 10.856 1.806 692 HB2 ALA 89 1HB ALA 89 11.688 11.250 1.729 693 HB3 ALA 89 2HB ALA 89 11.147 9.588 1.474 694 H ALA 90 H ALA 90 11.738 8.641 -0.870 695 HA ALA 90 HA ALA 90 14.426 9.287 -1.374 696 HB1 ALA 90 3HB ALA 90 12.885 6.859 -2.311 697 HB2 ALA 90 1HB ALA 90 13.696 7.033 -0.756 698 HB3 ALA 90 2HB ALA 90 14.645 7.010 -2.244 699 H LYS 91 H LYS 91 11.644 9.024 -3.620 700 HA LYS 91 HA LYS 91 13.172 9.262 -6.008 701 HB2 LYS 91 2HB LYS 91 11.145 9.712 -7.216 702 HB3 LYS 91 1HB LYS 91 10.746 8.521 -5.984 703 HG2 LYS 91 2HG LYS 91 9.552 10.103 -4.678 704 HG3 LYS 91 1HG LYS 91 10.252 11.473 -5.535 705 HD2 LYS 91 2HD LYS 91 8.971 10.831 -7.571 706 HD3 LYS 91 1HD LYS 91 8.240 9.496 -6.675 707 HE2 LYS 91 2HE LYS 91 7.158 11.074 -5.141 708 HE3 LYS 91 1HE LYS 91 7.967 12.434 -5.926 709 HZ1 LYS 91 3HZ LYS 91 6.028 10.616 -7.236 710 HZ2 LYS 91 1HZ LYS 91 6.754 11.972 -7.933 711 HZ3 LYS 91 2HZ LYS 91 5.668 12.157 -6.649 712 H GLY 92 H GLY 92 11.806 11.627 -3.763 713 HA2 GLY 92 2HA GLY 92 12.418 13.980 -5.264 714 HA3 GLY 92 1HA GLY 92 12.026 13.899 -3.557 715 H ALA 93 H ALA 93 14.034 12.248 -2.709 716 HA ALA 93 HA ALA 93 16.276 13.799 -2.209 717 HB1 ALA 93 3HB ALA 93 16.125 10.768 -2.257 718 HB2 ALA 93 1HB ALA 93 15.685 11.808 -0.900 719 HB3 ALA 93 2HB ALA 93 17.363 11.726 -1.436 720 H LEU 94 H LEU 94 15.674 11.615 -4.910 721 HA LEU 94 HA LEU 94 18.314 12.014 -6.089 722 HB2 LEU 94 2HB LEU 94 15.856 10.558 -7.149 723 HB3 LEU 94 1HB LEU 94 17.456 10.523 -7.882 724 HG LEU 94 HG LEU 94 16.727 9.376 -5.150 725 HD11 LEU 94 1HD1 LEU 94 17.167 7.176 -6.168 726 HD12 LEU 94 2HD1 LEU 94 17.415 7.949 -7.736 727 HD13 LEU 94 3HD1 LEU 94 15.831 8.012 -6.959 728 HD21 LEU 94 3HD2 LEU 94 19.020 8.463 -5.098 729 HD22 LEU 94 1HD2 LEU 94 19.022 10.225 -5.121 730 HD23 LEU 94 2HD2 LEU 94 19.403 9.325 -6.592 731 H GLU 95 H GLU 95 14.937 12.954 -6.792 732 HA GLU 95 HA GLU 95 15.461 13.943 -9.415 733 HB2 GLU 95 2HB GLU 95 13.252 13.028 -8.729 734 HB3 GLU 95 1HB GLU 95 13.010 14.405 -7.663 735 HG2 GLU 95 2HG GLU 95 12.919 15.923 -9.566 736 HG3 GLU 95 1HG GLU 95 13.336 14.616 -10.673 737 H HIS 96 H HIS 96 15.302 15.510 -6.265 738 HA HIS 96 HA HIS 96 15.288 18.212 -7.358 739 HB2 HIS 96 2HB HIS 96 15.334 17.151 -4.505 740 HB3 HIS 96 1HB HIS 96 15.477 18.869 -4.869 741 HD1 HIS 96 HD1 HIS 96 13.372 20.118 -5.547 742 HD2 HIS 96 HD2 HIS 96 12.730 16.046 -5.045 743 HE1 HIS 96 HE1 HIS 96 10.885 19.828 -5.537 744 HE2 HIS 96 HE2 HIS 96 10.513 17.374 -5.121 745 H HIS 97 H HIS 97 17.253 17.532 -8.574 746 HA HIS 97 HA HIS 97 19.470 17.470 -9.027 747 HB2 HIS 97 2HB HIS 97 20.492 19.753 -8.777 748 HB3 HIS 97 1HB HIS 97 18.888 19.747 -9.486 749 HD1 HIS 97 HD1 HIS 97 20.711 20.716 -6.347 750 HD2 HIS 97 HD2 HIS 97 16.949 21.169 -8.054 751 HE1 HIS 97 HE1 HIS 97 19.520 22.396 -4.913 752 HE2 HIS 97 HE2 HIS 97 17.296 22.747 -6.036 753 H HIS 98 H HIS 98 19.776 15.702 -7.392 754 HA HIS 98 HA HIS 98 21.953 16.467 -5.522 755 HB2 HIS 98 2HB HIS 98 19.661 15.689 -4.487 756 HB3 HIS 98 1HB HIS 98 20.128 14.084 -5.028 757 HD1 HIS 98 HD1 HIS 98 21.090 12.808 -3.140 758 HD2 HIS 98 HD2 HIS 98 22.040 16.844 -2.884 759 HE1 HIS 98 HE1 HIS 98 22.409 13.057 -1.022 760 HE2 HIS 98 HE2 HIS 98 23.151 15.455 -1.012 761 H HIS 99 H HIS 99 23.796 15.684 -6.348 762 HA HIS 99 HA HIS 99 23.682 13.937 -8.671 763 HB2 HIS 99 2HB HIS 99 24.873 16.164 -8.674 764 HB3 HIS 99 1HB HIS 99 26.025 15.516 -7.516 765 HD1 HIS 99 HD1 HIS 99 25.049 15.361 -11.139 766 HD2 HIS 99 HD2 HIS 99 28.010 13.857 -8.638 767 HE1 HIS 99 HE1 HIS 99 26.835 14.481 -12.665 768 HE2 HIS 99 HE2 HIS 99 28.511 13.399 -11.130 769 H HIS 100 H HIS 100 23.116 12.100 -7.257 770 HA HIS 100 HA HIS 100 23.566 9.981 -6.636 771 HB2 HIS 100 2HB HIS 100 25.121 10.191 -8.657 772 HB3 HIS 100 1HB HIS 100 26.449 10.445 -7.531 773 HD1 HIS 100 HD1 HIS 100 27.496 8.362 -6.533 774 HD2 HIS 100 HD2 HIS 100 23.913 7.539 -8.467 775 HE1 HIS 100 HE1 HIS 100 27.324 5.864 -6.593 776 HE2 HIS 100 HE2 HIS 100 25.036 5.418 -7.522 777 H HIS 101 H HIS 101 23.955 12.181 -4.707 778 HA HIS 101 HA HIS 101 24.783 12.842 -2.753 779 HB2 HIS 101 2HB HIS 101 24.785 11.137 -0.894 780 HB3 HIS 101 1HB HIS 101 23.311 11.238 -1.833 781 HD1 HIS 101 HD1 HIS 101 26.365 8.994 -1.498 782 HD2 HIS 101 HD2 HIS 101 22.409 8.827 -2.738 783 HE1 HIS 101 HE1 HIS 101 25.899 6.568 -1.941 784 HE2 HIS 101 HE2 HIS 101 23.579 6.533 -2.888 Start of MODEL 14 1 H1 MET 1 1H MET 1 -4.248 19.694 4.270 2 H2 MET 1 2H MET 1 -2.928 19.976 3.255 3 H3 MET 1 3H MET 1 -3.242 21.023 4.542 4 HA MET 1 HA MET 1 -1.392 19.535 4.987 5 HB2 MET 1 2HB MET 1 -2.863 20.457 6.820 6 HB3 MET 1 1HB MET 1 -3.842 19.004 6.736 7 HG2 MET 1 2HG MET 1 -1.975 17.646 7.499 8 HG3 MET 1 1HG MET 1 -0.900 19.044 7.463 9 HE1 MET 1 3HE MET 1 -2.362 21.236 10.406 10 HE2 MET 1 1HE MET 1 -2.813 21.351 8.708 11 HE3 MET 1 2HE MET 1 -1.122 21.126 9.150 12 H THR 2 H THR 2 -0.902 17.954 3.503 13 HA THR 2 HA THR 2 -2.650 15.640 3.120 14 HB THR 2 HB THR 2 -0.155 16.561 1.630 15 HG1 THR 2 HG1 THR 2 -2.927 16.435 0.950 16 HG21 THR 2 3HG2 THR 2 -1.890 14.116 1.088 17 HG22 THR 2 1HG2 THR 2 -0.183 14.106 1.541 18 HG23 THR 2 2HG2 THR 2 -0.678 14.759 -0.024 19 H SER 3 H SER 3 -2.382 13.932 4.364 20 HA SER 3 HA SER 3 0.280 13.086 5.307 21 HB2 SER 3 2HB SER 3 -0.969 11.430 6.676 22 HB3 SER 3 1HB SER 3 -1.592 13.056 6.968 23 HG SER 3 HG SER 3 -3.164 12.448 5.245 24 H THR 4 H THR 4 1.207 11.154 4.536 25 HA THR 4 HA THR 4 0.570 10.243 1.940 26 HB THR 4 HB THR 4 2.189 8.673 3.999 27 HG1 THR 4 HG1 THR 4 3.963 9.918 3.311 28 HG21 THR 4 3HG2 THR 4 1.735 7.470 1.879 29 HG22 THR 4 1HG2 THR 4 3.447 7.887 2.014 30 HG23 THR 4 2HG2 THR 4 2.389 8.829 0.959 31 H PHE 5 H PHE 5 -0.542 9.251 5.129 32 HA PHE 5 HA PHE 5 -1.633 6.724 4.465 33 HB2 PHE 5 2HB PHE 5 -1.352 7.279 6.818 34 HB3 PHE 5 1HB PHE 5 -2.421 8.675 6.677 35 HD1 PHE 5 HD1 PHE 5 -2.507 4.943 6.056 36 HD2 PHE 5 HD2 PHE 5 -4.657 8.386 7.429 37 HE1 PHE 5 HE1 PHE 5 -4.463 3.542 6.545 38 HE2 PHE 5 HE2 PHE 5 -6.606 6.960 7.923 39 HZ PHE 5 HZ PHE 5 -6.509 4.541 7.476 40 H ASP 6 H ASP 6 -3.068 9.987 4.464 41 HA ASP 6 HA ASP 6 -5.735 9.333 3.890 42 HB2 ASP 6 2HB ASP 6 -4.939 11.616 4.565 43 HB3 ASP 6 1HB ASP 6 -4.212 11.820 2.982 44 H ARG 7 H ARG 7 -3.016 9.923 1.736 45 HA ARG 7 HA ARG 7 -4.471 9.861 -0.717 46 HB2 ARG 7 2HB ARG 7 -1.491 9.405 -0.295 47 HB3 ARG 7 1HB ARG 7 -2.285 9.879 -1.800 48 HG2 ARG 7 2HG ARG 7 -2.036 11.536 0.735 49 HG3 ARG 7 1HG ARG 7 -1.171 11.790 -0.785 50 HD2 ARG 7 2HD ARG 7 -4.170 12.049 -0.372 51 HD3 ARG 7 1HD ARG 7 -3.027 13.384 -0.531 52 HE ARG 7 HE ARG 7 -3.901 11.539 -2.660 53 HH11 ARG 7 1HH1 ARG 7 -2.069 14.403 -1.778 54 HH12 ARG 7 2HH1 ARG 7 -2.005 15.001 -3.401 55 HH21 ARG 7 1HH2 ARG 7 -3.805 12.348 -4.773 56 HH22 ARG 7 2HH2 ARG 7 -2.983 13.843 -5.089 57 H VAL 8 H VAL 8 -2.352 7.438 0.881 58 HA VAL 8 HA VAL 8 -2.746 5.272 -0.861 59 HB VAL 8 HB VAL 8 -2.316 5.228 2.169 60 HG11 VAL 8 1HG1 VAL 8 -3.161 3.036 1.416 61 HG12 VAL 8 2HG1 VAL 8 -1.460 2.909 1.862 62 HG13 VAL 8 3HG1 VAL 8 -1.921 2.966 0.158 63 HG21 VAL 8 3HG2 VAL 8 -0.513 6.415 0.965 64 HG22 VAL 8 1HG2 VAL 8 -0.284 5.024 -0.092 65 HG23 VAL 8 2HG2 VAL 8 0.079 4.894 1.630 66 H ALA 9 H ALA 9 -4.683 6.472 1.792 67 HA ALA 9 HA ALA 9 -6.488 4.331 2.133 68 HB1 ALA 9 3HB ALA 9 -6.847 7.269 2.814 69 HB2 ALA 9 1HB ALA 9 -6.132 6.042 3.864 70 HB3 ALA 9 2HB ALA 9 -7.839 5.945 3.427 71 H THR 10 H THR 10 -6.742 7.399 0.270 72 HA THR 10 HA THR 10 -9.378 6.882 -0.687 73 HB THR 10 HB THR 10 -8.402 9.196 -0.507 74 HG1 THR 10 HG1 THR 10 -9.440 8.424 -3.052 75 HG21 THR 10 3HG2 THR 10 -6.954 8.488 -3.087 76 HG22 THR 10 1HG2 THR 10 -6.186 8.815 -1.533 77 HG23 THR 10 2HG2 THR 10 -7.060 10.098 -2.369 78 H ILE 11 H ILE 11 -6.185 6.011 -1.877 79 HA ILE 11 HA ILE 11 -6.879 5.116 -4.470 80 HB ILE 11 HB ILE 11 -4.758 4.079 -2.539 81 HG12 ILE 11 2HG1 ILE 11 -4.324 6.369 -3.309 82 HG13 ILE 11 1HG1 ILE 11 -3.151 5.277 -4.031 83 HG21 ILE 11 1HG2 ILE 11 -5.179 3.263 -5.434 84 HG22 ILE 11 2HG2 ILE 11 -5.288 2.227 -4.012 85 HG23 ILE 11 3HG2 ILE 11 -3.735 2.894 -4.496 86 HD11 ILE 11 3HD1 ILE 11 -3.944 6.957 -5.596 87 HD12 ILE 11 1HD1 ILE 11 -5.594 6.381 -5.409 88 HD13 ILE 11 2HD1 ILE 11 -4.370 5.334 -6.134 89 H ILE 12 H ILE 12 -6.674 3.337 -1.384 90 HA ILE 12 HA ILE 12 -7.613 0.847 -2.381 91 HB ILE 12 HB ILE 12 -7.503 1.924 0.473 92 HG12 ILE 12 2HG1 ILE 12 -5.540 0.171 -1.075 93 HG13 ILE 12 1HG1 ILE 12 -5.309 1.876 -0.705 94 HG21 ILE 12 1HG2 ILE 12 -9.058 0.024 0.399 95 HG22 ILE 12 2HG2 ILE 12 -7.577 -0.432 1.238 96 HG23 ILE 12 3HG2 ILE 12 -7.845 -0.966 -0.422 97 HD11 ILE 12 3HD1 ILE 12 -5.429 -0.383 1.284 98 HD12 ILE 12 1HD1 ILE 12 -5.226 1.325 1.685 99 HD13 ILE 12 2HD1 ILE 12 -3.993 0.485 0.749 100 H ALA 13 H ALA 13 -9.234 3.654 -1.067 101 HA ALA 13 HA ALA 13 -11.824 2.653 -0.633 102 HB1 ALA 13 3HB ALA 13 -10.992 5.467 -1.419 103 HB2 ALA 13 1HB ALA 13 -11.050 4.829 0.227 104 HB3 ALA 13 2HB ALA 13 -12.538 5.005 -0.704 105 H GLU 14 H GLU 14 -10.551 4.456 -3.460 106 HA GLU 14 HA GLU 14 -12.960 4.114 -4.982 107 HB2 GLU 14 2HB GLU 14 -10.218 5.190 -5.773 108 HB3 GLU 14 1HB GLU 14 -11.679 5.336 -6.751 109 HG2 GLU 14 2HG GLU 14 -12.736 6.722 -5.040 110 HG3 GLU 14 1HG GLU 14 -11.353 6.504 -3.967 111 H THR 15 H THR 15 -9.913 2.378 -4.810 112 HA THR 15 HA THR 15 -10.176 0.988 -7.325 113 HB THR 15 HB THR 15 -8.245 0.509 -5.008 114 HG1 THR 15 HG1 THR 15 -7.249 2.193 -5.794 115 HG21 THR 15 3HG2 THR 15 -8.111 -0.484 -7.875 116 HG22 THR 15 1HG2 THR 15 -8.386 -1.484 -6.447 117 HG23 THR 15 2HG2 THR 15 -6.837 -0.671 -6.670 118 H CYS 16 H CYS 16 -10.178 -0.094 -3.889 119 HA CYS 16 HA CYS 16 -11.195 -2.724 -4.648 120 HB2 CYS 16 2HB CYS 16 -10.362 -1.657 -1.928 121 HB3 CYS 16 1HB CYS 16 -10.607 -3.354 -2.369 122 HG CYS 16 HG CYS 16 -8.123 -3.689 -2.858 123 H ASP 17 H ASP 17 -12.675 0.160 -3.892 124 HA ASP 17 HA ASP 17 -14.656 0.865 -3.110 125 HB2 ASP 17 2HB ASP 17 -15.624 -0.650 -4.781 126 HB3 ASP 17 1HB ASP 17 -15.515 -2.009 -3.671 127 H ILE 18 H ILE 18 -13.358 1.078 -1.112 128 HA ILE 18 HA ILE 18 -14.695 -0.293 1.145 129 HB ILE 18 HB ILE 18 -11.691 0.312 1.018 130 HG12 ILE 18 2HG1 ILE 18 -13.142 -2.376 1.089 131 HG13 ILE 18 1HG1 ILE 18 -12.255 -1.715 -0.279 132 HG21 ILE 18 1HG2 ILE 18 -13.282 -0.906 3.319 133 HG22 ILE 18 2HG2 ILE 18 -12.578 0.711 3.288 134 HG23 ILE 18 3HG2 ILE 18 -11.530 -0.707 3.272 135 HD11 ILE 18 3HD1 ILE 18 -10.173 -1.883 1.021 136 HD12 ILE 18 1HD1 ILE 18 -10.984 -3.437 0.823 137 HD13 ILE 18 2HD1 ILE 18 -11.087 -2.583 2.360 138 HA PRO 19 HA PRO 19 -15.503 4.141 1.885 139 HB2 PRO 19 2HB PRO 19 -16.756 3.784 4.365 140 HB3 PRO 19 1HB PRO 19 -17.565 3.638 2.801 141 HG2 PRO 19 2HG PRO 19 -16.422 1.467 4.549 142 HG3 PRO 19 1HG PRO 19 -17.975 1.507 3.680 143 HD2 PRO 19 2HD PRO 19 -15.896 0.143 2.679 144 HD3 PRO 19 1HD PRO 19 -16.965 1.060 1.596 145 H ARG 20 H ARG 20 -14.558 5.754 3.087 146 HA ARG 20 HA ARG 20 -11.950 5.313 4.087 147 HB2 ARG 20 2HB ARG 20 -13.721 7.787 4.309 148 HB3 ARG 20 1HB ARG 20 -11.987 7.762 4.633 149 HG2 ARG 20 2HG ARG 20 -13.270 7.132 1.950 150 HG3 ARG 20 1HG ARG 20 -12.526 8.673 2.396 151 HD2 ARG 20 2HD ARG 20 -11.090 5.986 2.228 152 HD3 ARG 20 1HD ARG 20 -10.984 7.288 1.040 153 HE ARG 20 HE ARG 20 -9.723 7.174 3.660 154 HH11 ARG 20 1HH1 ARG 20 -10.477 9.188 0.913 155 HH12 ARG 20 2HH1 ARG 20 -9.264 10.373 1.284 156 HH21 ARG 20 1HH2 ARG 20 -8.151 8.730 4.147 157 HH22 ARG 20 2HH2 ARG 20 -7.973 10.122 3.130 158 H GLU 21 H GLU 21 -15.026 5.493 5.693 159 HA GLU 21 HA GLU 21 -14.271 6.040 8.344 160 HB2 GLU 21 2HB GLU 21 -16.441 5.056 8.988 161 HB3 GLU 21 1HB GLU 21 -16.623 6.101 7.585 162 HG2 GLU 21 2HG GLU 21 -16.657 4.099 6.116 163 HG3 GLU 21 1HG GLU 21 -16.528 3.068 7.536 164 H THR 22 H THR 22 -14.418 2.980 6.532 165 HA THR 22 HA THR 22 -13.620 1.369 8.830 166 HB THR 22 HB THR 22 -13.770 -0.553 7.187 167 HG1 THR 22 HG1 THR 22 -13.478 1.185 5.356 168 HG21 THR 22 3HG2 THR 22 -16.225 -0.509 6.946 169 HG22 THR 22 1HG2 THR 22 -16.243 1.224 7.282 170 HG23 THR 22 2HG2 THR 22 -15.753 0.085 8.541 171 H ILE 23 H ILE 23 -11.993 3.169 6.399 172 HA ILE 23 HA ILE 23 -9.626 1.474 6.291 173 HB ILE 23 HB ILE 23 -10.142 4.272 5.148 174 HG12 ILE 23 2HG1 ILE 23 -9.975 1.542 3.766 175 HG13 ILE 23 1HG1 ILE 23 -11.460 2.436 4.064 176 HG21 ILE 23 1HG2 ILE 23 -7.737 2.442 4.751 177 HG22 ILE 23 2HG2 ILE 23 -7.742 3.955 5.662 178 HG23 ILE 23 3HG2 ILE 23 -8.017 3.970 3.917 179 HD11 ILE 23 3HD1 ILE 23 -10.763 2.630 1.771 180 HD12 ILE 23 1HD1 ILE 23 -9.202 3.289 2.258 181 HD13 ILE 23 2HD1 ILE 23 -10.683 4.203 2.560 182 H THR 24 H THR 24 -8.560 1.381 8.138 183 HA THR 24 HA THR 24 -7.920 3.835 9.679 184 HB THR 24 HB THR 24 -7.872 2.384 11.713 185 HG1 THR 24 HG1 THR 24 -8.903 0.215 11.380 186 HG21 THR 24 3HG2 THR 24 -10.310 1.981 11.930 187 HG22 THR 24 1HG2 THR 24 -10.495 2.160 10.182 188 HG23 THR 24 2HG2 THR 24 -9.991 3.541 11.165 189 HA PRO 25 HA PRO 25 -3.605 2.873 8.935 190 HB2 PRO 25 2HB PRO 25 -2.424 3.564 11.366 191 HB3 PRO 25 1HB PRO 25 -2.913 4.728 10.127 192 HG2 PRO 25 2HG PRO 25 -4.399 3.859 12.599 193 HG3 PRO 25 1HG PRO 25 -4.172 5.499 11.952 194 HD2 PRO 25 2HD PRO 25 -6.475 4.178 11.569 195 HD3 PRO 25 1HD PRO 25 -5.800 5.196 10.272 196 H GLU 26 H GLU 26 -5.142 1.459 11.789 197 HA GLU 26 HA GLU 26 -3.076 -0.525 12.262 198 HB2 GLU 26 2HB GLU 26 -4.537 -1.391 14.008 199 HB3 GLU 26 1HB GLU 26 -4.451 0.365 14.135 200 HG2 GLU 26 2HG GLU 26 -6.659 0.618 13.192 201 HG3 GLU 26 1HG GLU 26 -6.742 -1.092 12.774 202 H SER 27 H SER 27 -5.748 -0.241 10.146 203 HA SER 27 HA SER 27 -6.550 -2.955 9.890 204 HB2 SER 27 2HB SER 27 -7.960 -1.125 9.072 205 HB3 SER 27 1HB SER 27 -6.724 -0.640 7.909 206 HG SER 27 HG SER 27 -8.486 -2.768 7.858 207 H HIS 28 H HIS 28 -5.650 -4.580 8.770 208 HA HIS 28 HA HIS 28 -3.251 -4.197 7.100 209 HB2 HIS 28 2HB HIS 28 -3.174 -5.763 9.050 210 HB3 HIS 28 1HB HIS 28 -4.477 -6.699 8.340 211 HD2 HIS 28 HD2 HIS 28 -0.886 -7.062 8.720 212 HE1 HIS 28 HE1 HIS 28 -1.704 -8.838 4.984 213 HE2 HIS 28 HE2 HIS 28 -0.159 -8.835 6.976 214 H ALA 29 H ALA 29 -3.408 -4.587 4.884 215 HA ALA 29 HA ALA 29 -5.782 -4.639 3.488 216 HB1 ALA 29 3HB ALA 29 -3.608 -4.075 2.475 217 HB2 ALA 29 1HB ALA 29 -4.489 -5.262 1.504 218 HB3 ALA 29 2HB ALA 29 -3.141 -5.776 2.522 219 H ILE 30 H ILE 30 -3.711 -7.550 4.036 220 HA ILE 30 HA ILE 30 -5.655 -9.317 2.820 221 HB ILE 30 HB ILE 30 -3.132 -10.006 4.398 222 HG12 ILE 30 2HG1 ILE 30 -3.588 -9.730 1.390 223 HG13 ILE 30 1HG1 ILE 30 -2.613 -8.662 2.391 224 HG21 ILE 30 1HG2 ILE 30 -3.263 -12.230 3.325 225 HG22 ILE 30 2HG2 ILE 30 -4.797 -11.786 2.577 226 HG23 ILE 30 3HG2 ILE 30 -4.678 -11.919 4.333 227 HD11 ILE 30 3HD1 ILE 30 -1.215 -10.115 1.081 228 HD12 ILE 30 1HD1 ILE 30 -2.017 -11.546 1.732 229 HD13 ILE 30 2HD1 ILE 30 -1.040 -10.522 2.787 230 H ASP 31 H ASP 31 -4.522 -8.703 6.145 231 HA ASP 31 HA ASP 31 -5.952 -10.882 7.333 232 HB2 ASP 31 2HB ASP 31 -3.846 -10.166 8.305 233 HB3 ASP 31 1HB ASP 31 -4.448 -8.534 8.542 234 H ASP 32 H ASP 32 -6.641 -7.415 6.999 235 HA ASP 32 HA ASP 32 -9.023 -7.664 8.764 236 HB2 ASP 32 2HB ASP 32 -7.208 -5.973 9.375 237 HB3 ASP 32 1HB ASP 32 -7.612 -5.094 7.911 238 H LEU 33 H LEU 33 -7.971 -5.939 5.794 239 HA LEU 33 HA LEU 33 -10.623 -5.211 4.976 240 HB2 LEU 33 2HB LEU 33 -7.998 -5.151 3.433 241 HB3 LEU 33 1HB LEU 33 -9.497 -4.402 2.891 242 HG LEU 33 HG LEU 33 -7.895 -3.591 5.363 243 HD11 LEU 33 1HD1 LEU 33 -8.174 -2.178 2.682 244 HD12 LEU 33 2HD1 LEU 33 -6.730 -2.980 3.309 245 HD13 LEU 33 3HD1 LEU 33 -7.350 -1.545 4.115 246 HD21 LEU 33 3HD2 LEU 33 -10.418 -2.349 4.189 247 HD22 LEU 33 1HD2 LEU 33 -9.437 -1.654 5.487 248 HD23 LEU 33 2HD2 LEU 33 -10.265 -3.185 5.741 249 H GLY 34 H GLY 34 -8.671 -8.036 4.503 250 HA2 GLY 34 2HA GLY 34 -9.208 -10.080 3.551 251 HA3 GLY 34 1HA GLY 34 -10.735 -9.409 2.998 252 H ILE 35 H ILE 35 -8.138 -7.465 2.107 253 HA ILE 35 HA ILE 35 -8.417 -7.956 -0.694 254 HB ILE 35 HB ILE 35 -6.480 -6.211 0.879 255 HG12 ILE 35 2HG1 ILE 35 -8.959 -5.474 -0.736 256 HG13 ILE 35 1HG1 ILE 35 -8.869 -5.530 1.021 257 HG21 ILE 35 1HG2 ILE 35 -5.882 -5.088 -1.238 258 HG22 ILE 35 2HG2 ILE 35 -6.852 -6.252 -2.139 259 HG23 ILE 35 3HG2 ILE 35 -5.416 -6.790 -1.266 260 HD11 ILE 35 3HD1 ILE 35 -7.391 -3.636 -0.791 261 HD12 ILE 35 1HD1 ILE 35 -7.213 -3.706 0.963 262 HD13 ILE 35 2HD1 ILE 35 -8.759 -3.266 0.247 263 H ASP 36 H ASP 36 -7.677 -9.906 -1.370 264 HA ASP 36 HA ASP 36 -5.364 -11.284 -0.704 265 HB2 ASP 36 2HB ASP 36 -6.753 -11.100 -3.420 266 HB3 ASP 36 1HB ASP 36 -5.628 -12.367 -2.940 267 H SER 37 H SER 37 -3.302 -11.506 -1.862 268 HA SER 37 HA SER 37 -1.971 -9.156 -2.639 269 HB2 SER 37 2HB SER 37 -0.828 -11.216 -1.795 270 HB3 SER 37 1HB SER 37 -1.226 -12.042 -3.297 271 HG SER 37 HG SER 37 0.031 -10.351 -4.363 272 H LEU 38 H LEU 38 -4.141 -11.165 -4.419 273 HA LEU 38 HA LEU 38 -3.349 -10.440 -7.094 274 HB2 LEU 38 2HB LEU 38 -5.935 -11.617 -5.992 275 HB3 LEU 38 1HB LEU 38 -5.575 -11.439 -7.705 276 HG LEU 38 HG LEU 38 -4.115 -13.253 -5.739 277 HD11 LEU 38 1HD1 LEU 38 -6.336 -14.095 -6.360 278 HD12 LEU 38 2HD1 LEU 38 -5.059 -15.104 -7.038 279 HD13 LEU 38 3HD1 LEU 38 -5.927 -13.962 -8.073 280 HD21 LEU 38 3HD2 LEU 38 -2.844 -14.067 -7.697 281 HD22 LEU 38 1HD2 LEU 38 -2.529 -12.368 -7.368 282 HD23 LEU 38 2HD2 LEU 38 -3.593 -12.823 -8.704 283 H ASP 39 H ASP 39 -5.871 -9.433 -4.801 284 HA ASP 39 HA ASP 39 -7.060 -7.428 -6.490 285 HB2 ASP 39 2HB ASP 39 -8.281 -8.627 -4.640 286 HB3 ASP 39 1HB ASP 39 -7.276 -7.796 -3.461 287 H PHE 40 H PHE 40 -4.428 -7.536 -4.245 288 HA PHE 40 HA PHE 40 -4.134 -4.745 -3.732 289 HB2 PHE 40 2HB PHE 40 -3.281 -6.778 -2.330 290 HB3 PHE 40 1HB PHE 40 -1.920 -6.807 -3.441 291 HD1 PHE 40 HD2 PHE 40 -3.603 -4.887 -0.769 292 HD2 PHE 40 HD1 PHE 40 -0.186 -5.069 -3.318 293 HE1 PHE 40 HE2 PHE 40 -2.490 -3.170 0.585 294 HE2 PHE 40 HE1 PHE 40 0.921 -3.350 -1.959 295 HZ PHE 40 HZ PHE 40 -0.235 -2.399 -0.010 296 H LEU 41 H LEU 41 -3.210 -6.809 -6.381 297 HA LEU 41 HA LEU 41 -0.970 -5.504 -7.487 298 HB2 LEU 41 2HB LEU 41 -3.307 -6.850 -8.906 299 HB3 LEU 41 1HB LEU 41 -1.821 -6.368 -9.713 300 HG LEU 41 HG LEU 41 -1.999 -8.460 -7.497 301 HD11 LEU 41 1HD1 LEU 41 -3.098 -9.264 -9.531 302 HD12 LEU 41 2HD1 LEU 41 -1.590 -10.128 -9.253 303 HD13 LEU 41 3HD1 LEU 41 -1.669 -8.870 -10.491 304 HD21 LEU 41 3HD2 LEU 41 0.326 -9.009 -8.101 305 HD22 LEU 41 1HD2 LEU 41 0.185 -7.350 -7.532 306 HD23 LEU 41 2HD2 LEU 41 0.354 -7.674 -9.258 307 H ASP 42 H ASP 42 -4.424 -4.841 -7.761 308 HA ASP 42 HA ASP 42 -4.314 -2.702 -9.668 309 HB2 ASP 42 2HB ASP 42 -6.564 -3.423 -7.728 310 HB3 ASP 42 1HB ASP 42 -6.716 -2.432 -9.182 311 H ILE 43 H ILE 43 -4.362 -2.908 -6.141 312 HA ILE 43 HA ILE 43 -4.656 -0.142 -5.527 313 HB ILE 43 HB ILE 43 -3.240 -2.355 -3.963 314 HG12 ILE 43 2HG1 ILE 43 -6.073 -1.245 -3.726 315 HG13 ILE 43 1HG1 ILE 43 -5.623 -2.846 -4.311 316 HG21 ILE 43 1HG2 ILE 43 -3.443 -0.926 -1.959 317 HG22 ILE 43 2HG2 ILE 43 -4.102 0.381 -2.944 318 HG23 ILE 43 3HG2 ILE 43 -2.442 -0.159 -3.192 319 HD11 ILE 43 3HD1 ILE 43 -4.755 -3.390 -2.066 320 HD12 ILE 43 1HD1 ILE 43 -6.468 -2.976 -2.067 321 HD13 ILE 43 2HD1 ILE 43 -5.285 -1.802 -1.499 322 H ALA 44 H ALA 44 -1.830 -2.241 -5.950 323 HA ALA 44 HA ALA 44 0.237 -0.389 -5.447 324 HB1 ALA 44 3HB ALA 44 0.566 -2.836 -5.427 325 HB2 ALA 44 1HB ALA 44 1.713 -2.051 -6.516 326 HB3 ALA 44 2HB ALA 44 0.304 -2.895 -7.172 327 H PHE 45 H PHE 45 -1.509 -1.277 -8.348 328 HA PHE 45 HA PHE 45 -0.024 0.172 -10.277 329 HB2 PHE 45 2HB PHE 45 -1.622 -1.667 -10.816 330 HB3 PHE 45 1HB PHE 45 -2.967 -0.643 -10.330 331 HD1 PHE 45 HD2 PHE 45 -0.066 -0.703 -12.728 332 HD2 PHE 45 HD1 PHE 45 -4.073 0.616 -12.011 333 HE1 PHE 45 HE2 PHE 45 -0.217 0.110 -15.041 334 HE2 PHE 45 HE1 PHE 45 -4.212 1.433 -14.331 335 HZ PHE 45 HZ PHE 45 -2.290 1.172 -15.849 336 H ALA 46 H ALA 46 -3.006 0.996 -8.486 337 HA ALA 46 HA ALA 46 -3.370 3.572 -9.658 338 HB1 ALA 46 3HB ALA 46 -5.235 2.323 -8.692 339 HB2 ALA 46 1HB ALA 46 -5.078 3.899 -7.903 340 HB3 ALA 46 2HB ALA 46 -4.506 2.438 -7.090 341 H ILE 47 H ILE 47 -1.689 2.478 -6.756 342 HA ILE 47 HA ILE 47 -1.039 5.010 -5.607 343 HB ILE 47 HB ILE 47 0.225 2.248 -5.339 344 HG12 ILE 47 2HG1 ILE 47 -1.328 3.896 -3.294 345 HG13 ILE 47 1HG1 ILE 47 -2.041 2.653 -4.314 346 HG21 ILE 47 1HG2 ILE 47 1.603 3.068 -3.452 347 HG22 ILE 47 2HG2 ILE 47 1.097 4.718 -3.792 348 HG23 ILE 47 3HG2 ILE 47 2.066 3.836 -4.970 349 HD11 ILE 47 3HD1 ILE 47 -0.739 0.947 -3.227 350 HD12 ILE 47 1HD1 ILE 47 -1.592 1.906 -2.020 351 HD13 ILE 47 2HD1 ILE 47 0.131 2.151 -2.281 352 H ASP 48 H ASP 48 0.648 2.818 -7.814 353 HA ASP 48 HA ASP 48 3.072 4.084 -8.210 354 HB2 ASP 48 2HB ASP 48 2.358 1.842 -9.116 355 HB3 ASP 48 1HB ASP 48 1.393 2.668 -10.331 356 H LYS 49 H LYS 49 -0.007 4.632 -9.828 357 HA LYS 49 HA LYS 49 0.784 6.714 -11.601 358 HB2 LYS 49 2HB LYS 49 -1.960 5.911 -10.550 359 HB3 LYS 49 1HB LYS 49 -1.683 6.986 -11.919 360 HG2 LYS 49 2HG LYS 49 -0.685 5.162 -13.195 361 HG3 LYS 49 1HG LYS 49 -0.810 4.081 -11.805 362 HD2 LYS 49 2HD LYS 49 -2.594 3.644 -13.450 363 HD3 LYS 49 1HD LYS 49 -3.261 4.188 -11.909 364 HE2 LYS 49 2HE LYS 49 -3.582 6.450 -12.829 365 HE3 LYS 49 1HE LYS 49 -2.851 5.950 -14.356 366 HZ1 LYS 49 3HZ LYS 49 -4.660 4.401 -14.666 367 HZ2 LYS 49 1HZ LYS 49 -5.250 5.971 -14.468 368 HZ3 LYS 49 2HZ LYS 49 -5.349 4.861 -13.193 369 H ALA 50 H ALA 50 -0.899 6.671 -8.470 370 HA ALA 50 HA ALA 50 -1.772 9.345 -8.396 371 HB1 ALA 50 3HB ALA 50 -1.249 7.474 -6.060 372 HB2 ALA 50 1HB ALA 50 -2.737 7.559 -7.001 373 HB3 ALA 50 2HB ALA 50 -2.243 8.936 -6.015 374 H PHE 51 H PHE 51 0.928 7.829 -6.675 375 HA PHE 51 HA PHE 51 1.954 10.351 -5.676 376 HB2 PHE 51 2HB PHE 51 3.020 7.507 -5.455 377 HB3 PHE 51 1HB PHE 51 3.694 8.899 -4.617 378 HD1 PHE 51 HD1 PHE 51 0.758 6.646 -4.810 379 HD2 PHE 51 HD2 PHE 51 2.629 9.807 -2.619 380 HE1 PHE 51 HE1 PHE 51 -0.788 6.270 -2.942 381 HE2 PHE 51 HE2 PHE 51 1.078 9.416 -0.751 382 HZ PHE 51 HZ PHE 51 -0.626 7.650 -0.914 383 H GLY 52 H GLY 52 2.494 8.308 -8.435 384 HA2 GLY 52 2HA GLY 52 3.808 8.620 -10.305 385 HA3 GLY 52 1HA GLY 52 4.434 10.107 -9.601 386 H ILE 53 H ILE 53 4.491 7.033 -7.978 387 HA ILE 53 HA ILE 53 7.454 6.881 -8.140 388 HB ILE 53 HB ILE 53 7.364 5.641 -5.978 389 HG12 ILE 53 2HG1 ILE 53 4.380 6.348 -5.987 390 HG13 ILE 53 1HG1 ILE 53 5.047 4.731 -6.183 391 HG21 ILE 53 1HG2 ILE 53 7.800 8.047 -5.958 392 HG22 ILE 53 2HG2 ILE 53 6.916 7.559 -4.513 393 HG23 ILE 53 3HG2 ILE 53 6.070 8.382 -5.828 394 HD11 ILE 53 3HD1 ILE 53 4.171 5.075 -3.961 395 HD12 ILE 53 1HD1 ILE 53 5.255 6.439 -3.712 396 HD13 ILE 53 2HD1 ILE 53 5.912 4.812 -3.907 397 H LYS 54 H LYS 54 8.333 4.703 -8.141 398 HA LYS 54 HA LYS 54 6.599 2.672 -9.363 399 HB2 LYS 54 2HB LYS 54 8.816 3.121 -10.402 400 HB3 LYS 54 1HB LYS 54 9.614 2.671 -8.896 401 HG2 LYS 54 2HG LYS 54 8.716 0.375 -9.117 402 HG3 LYS 54 1HG LYS 54 7.922 0.833 -10.626 403 HD2 LYS 54 2HD LYS 54 10.000 -0.375 -11.083 404 HD3 LYS 54 1HD LYS 54 10.131 1.293 -11.648 405 HE2 LYS 54 2HE LYS 54 11.455 1.870 -9.633 406 HE3 LYS 54 1HE LYS 54 11.278 0.219 -9.039 407 HZ1 LYS 54 3HZ LYS 54 13.399 0.458 -10.062 408 HZ2 LYS 54 1HZ LYS 54 12.716 1.065 -11.483 409 HZ3 LYS 54 2HZ LYS 54 12.446 -0.541 -11.038 410 H LEU 55 H LEU 55 5.378 1.749 -7.776 411 HA LEU 55 HA LEU 55 6.533 0.950 -5.226 412 HB2 LEU 55 2HB LEU 55 4.178 1.804 -5.405 413 HB3 LEU 55 1HB LEU 55 3.747 0.383 -6.341 414 HG LEU 55 HG LEU 55 4.859 0.089 -3.525 415 HD11 LEU 55 1HD1 LEU 55 3.000 1.640 -3.294 416 HD12 LEU 55 2HD1 LEU 55 2.601 0.071 -2.601 417 HD13 LEU 55 3HD1 LEU 55 1.936 0.535 -4.171 418 HD21 LEU 55 3HD2 LEU 55 4.698 -1.985 -4.816 419 HD22 LEU 55 1HD2 LEU 55 2.983 -1.687 -5.124 420 HD23 LEU 55 2HD2 LEU 55 3.551 -2.000 -3.481 421 HA PRO 56 HA PRO 56 7.589 -3.002 -7.271 422 HB2 PRO 56 2HB PRO 56 9.614 -3.762 -5.673 423 HB3 PRO 56 1HB PRO 56 9.793 -2.363 -6.740 424 HG2 PRO 56 2HG PRO 56 9.282 -2.433 -3.779 425 HG3 PRO 56 1HG PRO 56 10.309 -1.323 -4.711 426 HD2 PRO 56 2HD PRO 56 7.657 -0.811 -3.845 427 HD3 PRO 56 1HD PRO 56 8.547 0.121 -5.069 428 H LEU 57 H LEU 57 5.369 -3.728 -6.607 429 HA LEU 57 HA LEU 57 4.995 -5.027 -4.078 430 HB2 LEU 57 2HB LEU 57 3.081 -4.107 -5.352 431 HB3 LEU 57 1HB LEU 57 3.355 -5.284 -6.628 432 HG LEU 57 HG LEU 57 2.801 -7.130 -5.064 433 HD11 LEU 57 1HD1 LEU 57 3.534 -6.163 -2.945 434 HD12 LEU 57 2HD1 LEU 57 1.853 -6.678 -2.838 435 HD13 LEU 57 3HD1 LEU 57 2.235 -4.964 -3.015 436 HD21 LEU 57 3HD2 LEU 57 1.025 -6.144 -6.441 437 HD22 LEU 57 1HD2 LEU 57 0.646 -5.003 -5.145 438 HD23 LEU 57 2HD2 LEU 57 0.402 -6.737 -4.901 439 H GLU 58 H GLU 58 6.039 -6.063 -7.280 440 HA GLU 58 HA GLU 58 5.915 -8.850 -6.990 441 HB2 GLU 58 2HB GLU 58 7.619 -8.948 -8.779 442 HB3 GLU 58 1HB GLU 58 6.343 -7.788 -9.144 443 HG2 GLU 58 2HG GLU 58 7.853 -5.940 -8.424 444 HG3 GLU 58 1HG GLU 58 9.135 -7.124 -8.141 445 H LYS 59 H LYS 59 8.312 -6.531 -5.876 446 HA LYS 59 HA LYS 59 10.253 -8.427 -4.980 447 HB2 LYS 59 2HB LYS 59 10.762 -6.017 -5.546 448 HB3 LYS 59 1HB LYS 59 9.889 -5.528 -4.098 449 HG2 LYS 59 2HG LYS 59 11.523 -6.773 -2.702 450 HG3 LYS 59 1HG LYS 59 12.389 -7.257 -4.162 451 HD2 LYS 59 2HD LYS 59 13.570 -5.395 -3.158 452 HD3 LYS 59 1HD LYS 59 12.828 -4.835 -4.658 453 HE2 LYS 59 2HE LYS 59 12.553 -3.156 -2.908 454 HE3 LYS 59 1HE LYS 59 10.978 -3.826 -3.335 455 HZ1 LYS 59 3HZ LYS 59 12.606 -4.640 -0.990 456 HZ2 LYS 59 1HZ LYS 59 11.071 -5.229 -1.385 457 HZ3 LYS 59 2HZ LYS 59 11.269 -3.609 -0.942 458 H TRP 60 H TRP 60 7.654 -6.553 -3.441 459 HA TRP 60 HA TRP 60 8.200 -7.223 -0.748 460 HB2 TRP 60 2HB TRP 60 5.605 -6.301 -2.055 461 HB3 TRP 60 1HB TRP 60 5.852 -6.404 -0.310 462 HD1 TRP 60 HD1 TRP 60 9.043 -5.108 -1.516 463 HE1 TRP 60 HE1 TRP 60 9.116 -2.550 -1.424 464 HE3 TRP 60 HE3 TRP 60 4.057 -4.160 -0.887 465 HZ2 TRP 60 HZ2 TRP 60 7.350 -0.415 -1.097 466 HZ3 TRP 60 HZ3 TRP 60 3.338 -1.820 -0.675 467 HH2 TRP 60 HH2 TRP 60 4.949 0.018 -0.778 468 H THR 61 H THR 61 5.770 -8.551 -3.001 469 HA THR 61 HA THR 61 4.747 -10.653 -1.570 470 HB THR 61 HB THR 61 5.289 -10.527 -4.575 471 HG1 THR 61 HG1 THR 61 2.900 -9.862 -3.157 472 HG21 THR 61 3HG2 THR 61 3.275 -12.242 -3.066 473 HG22 THR 61 1HG2 THR 61 4.727 -12.839 -3.874 474 HG23 THR 61 2HG2 THR 61 3.421 -12.126 -4.822 475 H GLN 62 H GLN 62 7.702 -10.605 -3.588 476 HA GLN 62 HA GLN 62 8.356 -13.356 -3.406 477 HB2 GLN 62 2HB GLN 62 9.283 -11.861 -5.159 478 HB3 GLN 62 1HB GLN 62 10.178 -10.965 -3.939 479 HG2 GLN 62 2HG GLN 62 11.655 -12.500 -5.146 480 HG3 GLN 62 1HG GLN 62 11.537 -12.951 -3.444 481 HE21 GLN 62 1HE2 GLN 62 12.168 -15.087 -3.849 482 HE22 GLN 62 2HE2 GLN 62 11.138 -16.224 -4.640 483 H GLU 63 H GLU 63 9.246 -10.564 -1.429 484 HA GLU 63 HA GLU 63 11.128 -11.796 0.285 485 HB2 GLU 63 2HB GLU 63 9.345 -9.359 0.720 486 HB3 GLU 63 1HB GLU 63 10.642 -9.828 1.820 487 HG2 GLU 63 2HG GLU 63 12.311 -9.491 0.116 488 HG3 GLU 63 1HG GLU 63 11.081 -9.238 -1.114 489 H VAL 64 H VAL 64 7.585 -11.615 0.399 490 HA VAL 64 HA VAL 64 7.289 -12.870 2.948 491 HB VAL 64 HB VAL 64 5.301 -12.659 0.641 492 HG11 VAL 64 1HG1 VAL 64 3.532 -13.117 2.339 493 HG12 VAL 64 2HG1 VAL 64 4.783 -13.410 3.549 494 HG13 VAL 64 3HG1 VAL 64 4.632 -14.486 2.158 495 HG21 VAL 64 3HG2 VAL 64 6.008 -10.439 1.472 496 HG22 VAL 64 1HG2 VAL 64 5.602 -10.914 3.124 497 HG23 VAL 64 2HG2 VAL 64 4.330 -10.758 1.912 498 H ASN 65 H ASN 65 7.214 -14.081 -0.424 499 HA ASN 65 HA ASN 65 6.738 -16.781 0.013 500 HB2 ASN 65 2HB ASN 65 8.329 -15.421 -2.197 501 HB3 ASN 65 1HB ASN 65 8.096 -17.167 -2.170 502 HD21 ASN 65 1HD2 ASN 65 6.663 -14.136 -2.925 503 HD22 ASN 65 2HD2 ASN 65 5.150 -14.747 -3.481 504 H ASP 66 H ASP 66 9.861 -15.081 0.212 505 HA ASP 66 HA ASP 66 11.351 -17.544 0.652 506 HB2 ASP 66 2HB ASP 66 12.202 -14.623 0.693 507 HB3 ASP 66 1HB ASP 66 13.317 -15.953 0.994 508 H GLY 67 H GLY 67 9.407 -15.788 2.696 509 HA2 GLY 67 2HA GLY 67 9.112 -15.823 4.964 510 HA3 GLY 67 1HA GLY 67 10.455 -16.947 5.092 511 H LYS 68 H LYS 68 11.001 -13.937 3.472 512 HA LYS 68 HA LYS 68 12.953 -13.093 5.464 513 HB2 LYS 68 2HB LYS 68 12.123 -11.764 2.840 514 HB3 LYS 68 1HB LYS 68 13.507 -11.311 3.835 515 HG2 LYS 68 2HG LYS 68 13.139 -13.950 2.381 516 HG3 LYS 68 1HG LYS 68 14.184 -12.624 1.863 517 HD2 LYS 68 2HD LYS 68 14.511 -14.248 4.426 518 HD3 LYS 68 1HD LYS 68 15.451 -14.467 2.950 519 HE2 LYS 68 2HE LYS 68 16.300 -12.117 3.211 520 HE3 LYS 68 1HE LYS 68 15.445 -12.014 4.749 521 HZ1 LYS 68 3HZ LYS 68 16.786 -13.853 5.553 522 HZ2 LYS 68 1HZ LYS 68 17.747 -12.555 5.073 523 HZ3 LYS 68 2HZ LYS 68 17.616 -13.917 4.085 524 H ALA 69 H ALA 69 10.231 -11.506 3.817 525 HA ALA 69 HA ALA 69 9.710 -9.794 6.180 526 HB1 ALA 69 3HB ALA 69 10.219 -8.594 4.074 527 HB2 ALA 69 1HB ALA 69 8.568 -8.285 4.614 528 HB3 ALA 69 2HB ALA 69 8.869 -9.403 3.280 529 H THR 70 H THR 70 7.438 -9.326 6.615 530 HA THR 70 HA THR 70 5.633 -11.615 6.075 531 HB THR 70 HB THR 70 4.320 -10.784 8.064 532 HG1 THR 70 HG1 THR 70 5.430 -9.240 9.435 533 HG21 THR 70 3HG2 THR 70 5.887 -11.584 9.794 534 HG22 THR 70 1HG2 THR 70 7.239 -11.412 8.673 535 HG23 THR 70 2HG2 THR 70 5.975 -12.608 8.359 536 H THR 71 H THR 71 3.345 -11.056 5.831 537 HA THR 71 HA THR 71 2.790 -8.978 3.988 538 HB THR 71 HB THR 71 0.407 -9.549 4.298 539 HG1 THR 71 HG1 THR 71 1.215 -11.352 6.356 540 HG21 THR 71 3HG2 THR 71 1.734 -11.054 2.861 541 HG22 THR 71 1HG2 THR 71 0.490 -11.956 3.728 542 HG23 THR 71 2HG2 THR 71 2.169 -12.033 4.267 543 H GLU 72 H GLU 72 2.695 -9.157 7.493 544 HA GLU 72 HA GLU 72 1.209 -6.862 8.144 545 HB2 GLU 72 2HB GLU 72 1.844 -8.560 9.798 546 HB3 GLU 72 1HB GLU 72 3.543 -8.160 9.604 547 HG2 GLU 72 2HG GLU 72 3.131 -5.911 10.546 548 HG3 GLU 72 1HG GLU 72 1.423 -6.306 10.727 549 H GLN 73 H GLN 73 4.674 -7.264 7.459 550 HA GLN 73 HA GLN 73 5.582 -4.735 8.229 551 HB2 GLN 73 2HB GLN 73 7.038 -6.698 7.815 552 HB3 GLN 73 1HB GLN 73 6.742 -6.558 6.082 553 HG2 GLN 73 2HG GLN 73 7.870 -4.380 6.037 554 HG3 GLN 73 1HG GLN 73 8.076 -4.422 7.786 555 HE21 GLN 73 1HE2 GLN 73 9.152 -5.742 4.749 556 HE22 GLN 73 2HE2 GLN 73 10.602 -6.453 5.347 557 H TYR 74 H TYR 74 4.087 -5.755 5.213 558 HA TYR 74 HA TYR 74 4.498 -3.058 4.046 559 HB2 TYR 74 2HB TYR 74 3.897 -5.711 2.666 560 HB3 TYR 74 1HB TYR 74 4.025 -4.154 1.840 561 HD1 TYR 74 HD1 TYR 74 6.282 -2.799 2.567 562 HD2 TYR 74 HD2 TYR 74 5.870 -7.055 2.541 563 HE1 TYR 74 HE1 TYR 74 8.710 -3.030 2.391 564 HE2 TYR 74 HE2 TYR 74 8.315 -7.274 2.358 565 HH TYR 74 HH TYR 74 10.245 -5.896 1.581 566 H PHE 75 H PHE 75 1.998 -5.622 4.006 567 HA PHE 75 HA PHE 75 0.039 -4.059 2.747 568 HB2 PHE 75 2HB PHE 75 -0.222 -6.676 4.257 569 HB3 PHE 75 1HB PHE 75 -1.530 -5.962 3.331 570 HD1 PHE 75 HD1 PHE 75 2.015 -7.171 2.941 571 HD2 PHE 75 HD2 PHE 75 -1.766 -6.527 1.049 572 HE1 PHE 75 HE1 PHE 75 2.819 -8.334 0.929 573 HE2 PHE 75 HE2 PHE 75 -0.953 -7.686 -0.961 574 HZ PHE 75 HZ PHE 75 1.338 -8.591 -1.028 575 H VAL 76 H VAL 76 0.658 -4.281 6.263 576 HA VAL 76 HA VAL 76 -1.830 -3.215 7.152 577 HB VAL 76 HB VAL 76 0.926 -2.708 8.375 578 HG11 VAL 76 1HG1 VAL 76 -0.663 -0.986 9.129 579 HG12 VAL 76 2HG1 VAL 76 -0.292 -2.091 10.456 580 HG13 VAL 76 3HG1 VAL 76 -1.827 -2.236 9.592 581 HG21 VAL 76 3HG2 VAL 76 -1.196 -4.733 9.164 582 HG22 VAL 76 1HG2 VAL 76 0.331 -4.458 10.008 583 HG23 VAL 76 2HG2 VAL 76 0.333 -5.095 8.364 584 H LEU 77 H LEU 77 -2.632 -1.084 7.081 585 HA LEU 77 HA LEU 77 -1.846 0.322 4.793 586 HB2 LEU 77 2HB LEU 77 -3.723 1.277 6.980 587 HB3 LEU 77 1HB LEU 77 -3.632 1.905 5.338 588 HG LEU 77 HG LEU 77 -4.656 -0.816 6.227 589 HD11 LEU 77 1HD1 LEU 77 -6.729 -0.144 5.134 590 HD12 LEU 77 2HD1 LEU 77 -6.018 1.415 4.711 591 HD13 LEU 77 3HD1 LEU 77 -6.271 0.987 6.406 592 HD21 LEU 77 3HD2 LEU 77 -3.304 -1.246 4.257 593 HD22 LEU 77 1HD2 LEU 77 -4.103 0.061 3.378 594 HD23 LEU 77 2HD2 LEU 77 -5.010 -1.380 3.842 595 H LYS 78 H LYS 78 -1.346 1.192 8.253 596 HA LYS 78 HA LYS 78 -0.013 3.649 7.793 597 HB2 LYS 78 2HB LYS 78 0.900 3.427 10.083 598 HB3 LYS 78 1HB LYS 78 -0.810 3.026 10.023 599 HG2 LYS 78 2HG LYS 78 -0.232 0.609 10.039 600 HG3 LYS 78 1HG LYS 78 1.475 1.037 10.189 601 HD2 LYS 78 2HD LYS 78 1.025 2.121 12.358 602 HD3 LYS 78 1HD LYS 78 -0.699 1.765 12.191 603 HE2 LYS 78 2HE LYS 78 0.358 0.152 13.703 604 HE3 LYS 78 1HE LYS 78 -0.188 -0.664 12.241 605 HZ1 LYS 78 3HZ LYS 78 2.605 0.199 12.769 606 HZ2 LYS 78 1HZ LYS 78 2.069 -0.660 11.419 607 HZ3 LYS 78 2HZ LYS 78 2.027 -1.378 12.949 608 H ASN 79 H ASN 79 1.234 0.332 7.824 609 HA ASN 79 HA ASN 79 4.016 0.963 7.672 610 HB2 ASN 79 2HB ASN 79 2.474 -1.581 7.005 611 HB3 ASN 79 1HB ASN 79 4.228 -1.475 6.919 612 HD21 ASN 79 1HD2 ASN 79 4.471 -3.072 8.479 613 HD22 ASN 79 2HD2 ASN 79 4.164 -2.791 10.153 614 H LEU 80 H LEU 80 1.655 -0.104 5.273 615 HA LEU 80 HA LEU 80 3.007 0.037 2.906 616 HB2 LEU 80 2HB LEU 80 0.718 -0.860 3.207 617 HB3 LEU 80 1HB LEU 80 0.109 0.754 3.532 618 HG LEU 80 HG LEU 80 0.572 1.414 1.188 619 HD11 LEU 80 1HD1 LEU 80 2.491 -0.020 0.697 620 HD12 LEU 80 2HD1 LEU 80 1.221 -0.239 -0.501 621 HD13 LEU 80 3HD1 LEU 80 1.460 -1.456 0.754 622 HD21 LEU 80 3HD2 LEU 80 -1.641 0.525 1.777 623 HD22 LEU 80 1HD2 LEU 80 -1.098 -1.112 1.403 624 HD23 LEU 80 2HD2 LEU 80 -1.206 0.100 0.124 625 H ALA 81 H ALA 81 1.224 2.613 4.576 626 HA ALA 81 HA ALA 81 1.705 4.717 2.755 627 HB1 ALA 81 3HB ALA 81 -0.078 4.805 4.447 628 HB2 ALA 81 1HB ALA 81 0.974 6.219 4.560 629 HB3 ALA 81 2HB ALA 81 1.131 4.902 5.728 630 H ALA 82 H ALA 82 3.620 3.443 5.412 631 HA ALA 82 HA ALA 82 5.544 5.573 5.514 632 HB1 ALA 82 3HB ALA 82 6.878 4.033 6.901 633 HB2 ALA 82 1HB ALA 82 5.792 2.705 6.484 634 HB3 ALA 82 2HB ALA 82 5.194 4.066 7.433 635 H ARG 83 H ARG 83 5.469 2.368 3.933 636 HA ARG 83 HA ARG 83 7.994 2.362 2.704 637 HB2 ARG 83 2HB ARG 83 5.413 1.118 1.645 638 HB3 ARG 83 1HB ARG 83 7.048 0.674 1.151 639 HG2 ARG 83 2HG ARG 83 5.791 0.238 3.884 640 HG3 ARG 83 1HG ARG 83 6.143 -0.996 2.669 641 HD2 ARG 83 2HD ARG 83 8.193 0.701 4.150 642 HD3 ARG 83 1HD ARG 83 7.836 -1.004 4.452 643 HE ARG 83 HE ARG 83 8.523 -0.870 1.787 644 HH11 ARG 83 1HH1 ARG 83 10.176 0.001 4.771 645 HH12 ARG 83 2HH1 ARG 83 11.741 -0.383 4.136 646 HH21 ARG 83 1HH2 ARG 83 10.578 -1.330 0.992 647 HH22 ARG 83 2HH2 ARG 83 11.970 -1.133 2.007 648 H ILE 84 H ILE 84 4.926 3.640 1.636 649 HA ILE 84 HA ILE 84 5.730 4.448 -1.004 650 HB ILE 84 HB ILE 84 3.298 5.021 0.739 651 HG12 ILE 84 2HG1 ILE 84 3.548 3.272 -1.749 652 HG13 ILE 84 1HG1 ILE 84 3.698 2.665 -0.102 653 HG21 ILE 84 1HG2 ILE 84 2.137 5.927 -1.228 654 HG22 ILE 84 2HG2 ILE 84 3.627 5.840 -2.161 655 HG23 ILE 84 3HG2 ILE 84 3.518 6.927 -0.776 656 HD11 ILE 84 3HD1 ILE 84 1.247 3.954 -1.283 657 HD12 ILE 84 1HD1 ILE 84 1.408 3.323 0.358 658 HD13 ILE 84 2HD1 ILE 84 1.512 2.231 -1.019 659 H ASP 85 H ASP 85 5.082 6.187 2.057 660 HA ASP 85 HA ASP 85 5.895 8.742 1.513 661 HB2 ASP 85 2HB ASP 85 5.027 7.949 3.710 662 HB3 ASP 85 1HB ASP 85 6.554 7.139 4.023 663 H GLU 86 H GLU 86 7.947 5.929 2.124 664 HA GLU 86 HA GLU 86 10.456 7.229 2.179 665 HB2 GLU 86 2HB GLU 86 9.943 4.878 2.969 666 HB3 GLU 86 1HB GLU 86 9.840 4.381 1.287 667 HG2 GLU 86 2HG GLU 86 12.262 5.323 1.104 668 HG3 GLU 86 1HG GLU 86 12.262 5.240 2.861 669 H LEU 87 H LEU 87 8.640 5.665 -0.450 670 HA LEU 87 HA LEU 87 10.568 6.009 -2.502 671 HB2 LEU 87 2HB LEU 87 7.571 5.525 -2.681 672 HB3 LEU 87 1HB LEU 87 8.674 5.417 -4.048 673 HG LEU 87 HG LEU 87 8.804 3.629 -1.576 674 HD11 LEU 87 1HD1 LEU 87 7.723 2.967 -4.338 675 HD12 LEU 87 2HD1 LEU 87 6.770 3.184 -2.867 676 HD13 LEU 87 3HD1 LEU 87 7.904 1.841 -2.985 677 HD21 LEU 87 3HD2 LEU 87 11.002 3.920 -2.627 678 HD22 LEU 87 1HD2 LEU 87 10.342 3.452 -4.196 679 HD23 LEU 87 2HD2 LEU 87 10.407 2.284 -2.873 680 H VAL 88 H VAL 88 7.760 8.037 -1.525 681 HA VAL 88 HA VAL 88 8.092 9.926 -3.675 682 HB VAL 88 HB VAL 88 6.453 11.353 -2.600 683 HG11 VAL 88 1HG1 VAL 88 4.526 9.811 -2.404 684 HG12 VAL 88 2HG1 VAL 88 5.633 8.438 -2.296 685 HG13 VAL 88 3HG1 VAL 88 5.558 9.397 -3.777 686 HG21 VAL 88 3HG2 VAL 88 5.481 10.879 -0.356 687 HG22 VAL 88 1HG2 VAL 88 7.204 11.252 -0.259 688 HG23 VAL 88 2HG2 VAL 88 6.657 9.584 -0.129 689 H ALA 89 H ALA 89 9.333 9.629 -0.419 690 HA ALA 89 HA ALA 89 10.575 12.173 -0.151 691 HB1 ALA 89 3HB ALA 89 10.213 10.658 1.766 692 HB2 ALA 89 1HB ALA 89 11.919 11.084 1.619 693 HB3 ALA 89 2HB ALA 89 11.355 9.499 1.082 694 H ALA 90 H ALA 90 11.652 9.044 -1.411 695 HA ALA 90 HA ALA 90 14.290 9.521 -2.004 696 HB1 ALA 90 3HB ALA 90 12.375 7.820 -3.626 697 HB2 ALA 90 1HB ALA 90 13.209 7.316 -2.156 698 HB3 ALA 90 2HB ALA 90 14.135 7.683 -3.610 699 H LYS 91 H LYS 91 11.503 10.112 -4.224 700 HA LYS 91 HA LYS 91 13.180 11.045 -6.365 701 HB2 LYS 91 2HB LYS 91 11.087 11.625 -7.530 702 HB3 LYS 91 1HB LYS 91 11.038 9.995 -6.874 703 HG2 LYS 91 2HG LYS 91 9.609 10.776 -5.016 704 HG3 LYS 91 1HG LYS 91 9.655 12.419 -5.668 705 HD2 LYS 91 2HD LYS 91 8.516 11.648 -7.720 706 HD3 LYS 91 1HD LYS 91 8.525 9.986 -7.118 707 HE2 LYS 91 2HE LYS 91 6.323 10.929 -6.775 708 HE3 LYS 91 1HE LYS 91 7.089 10.729 -5.203 709 HZ1 LYS 91 3HZ LYS 91 7.676 13.113 -5.302 710 HZ2 LYS 91 1HZ LYS 91 6.009 12.838 -5.283 711 HZ3 LYS 91 2HZ LYS 91 6.783 13.253 -6.727 712 H GLY 92 H GLY 92 11.290 12.687 -3.823 713 HA2 GLY 92 2HA GLY 92 11.886 15.354 -4.576 714 HA3 GLY 92 1HA GLY 92 11.429 14.808 -2.971 715 H ALA 93 H ALA 93 13.725 12.958 -2.895 716 HA ALA 93 HA ALA 93 15.688 14.752 -1.725 717 HB1 ALA 93 3HB ALA 93 15.251 12.551 -0.702 718 HB2 ALA 93 1HB ALA 93 16.946 12.702 -1.167 719 HB3 ALA 93 2HB ALA 93 15.840 11.743 -2.156 720 H LEU 94 H LEU 94 15.340 12.868 -4.681 721 HA LEU 94 HA LEU 94 17.947 13.362 -5.773 722 HB2 LEU 94 2HB LEU 94 15.332 12.512 -7.091 723 HB3 LEU 94 1HB LEU 94 16.869 12.600 -7.944 724 HG LEU 94 HG LEU 94 16.291 10.754 -5.585 725 HD11 LEU 94 1HD1 LEU 94 15.014 10.065 -7.551 726 HD12 LEU 94 2HD1 LEU 94 16.312 8.921 -7.221 727 HD13 LEU 94 3HD1 LEU 94 16.478 10.082 -8.542 728 HD21 LEU 94 3HD2 LEU 94 18.652 11.374 -5.680 729 HD22 LEU 94 1HD2 LEU 94 18.735 10.928 -7.388 730 HD23 LEU 94 2HD2 LEU 94 18.447 9.694 -6.157 731 H GLU 95 H GLU 95 14.815 14.967 -5.901 732 HA GLU 95 HA GLU 95 15.384 16.869 -7.948 733 HB2 GLU 95 2HB GLU 95 13.076 16.284 -7.347 734 HB3 GLU 95 1HB GLU 95 13.312 16.872 -5.712 735 HG2 GLU 95 2HG GLU 95 11.983 18.437 -7.032 736 HG3 GLU 95 1HG GLU 95 13.499 19.169 -6.515 737 H HIS 96 H HIS 96 17.352 17.800 -7.507 738 HA HIS 96 HA HIS 96 18.964 19.109 -6.676 739 HB2 HIS 96 2HB HIS 96 17.211 20.865 -7.127 740 HB3 HIS 96 1HB HIS 96 16.698 20.744 -5.449 741 HD1 HIS 96 HD1 HIS 96 19.110 22.391 -7.647 742 HD2 HIS 96 HD2 HIS 96 18.741 21.712 -3.564 743 HE1 HIS 96 HE1 HIS 96 20.695 23.994 -6.558 744 HE2 HIS 96 HE2 HIS 96 20.491 23.546 -4.092 745 H HIS 97 H HIS 97 19.892 17.550 -5.334 746 HA HIS 97 HA HIS 97 18.919 16.982 -2.686 747 HB2 HIS 97 2HB HIS 97 20.059 15.281 -4.179 748 HB3 HIS 97 1HB HIS 97 21.581 16.122 -3.897 749 HD1 HIS 97 HD1 HIS 97 18.976 14.066 -2.113 750 HD2 HIS 97 HD2 HIS 97 22.822 15.489 -1.466 751 HE1 HIS 97 HE1 HIS 97 19.768 12.923 -0.028 752 HE2 HIS 97 HE2 HIS 97 22.016 13.941 0.440 753 H HIS 98 H HIS 98 18.946 19.128 -1.955 754 HA HIS 98 HA HIS 98 20.773 19.937 -0.094 755 HB2 HIS 98 2HB HIS 98 21.532 20.960 -2.809 756 HB3 HIS 98 1HB HIS 98 21.379 22.230 -1.609 757 HD1 HIS 98 HD1 HIS 98 23.698 19.693 -2.826 758 HD2 HIS 98 HD2 HIS 98 23.134 21.828 0.694 759 HE1 HIS 98 HE1 HIS 98 25.856 19.484 -1.557 760 HE2 HIS 98 HE2 HIS 98 25.425 20.630 0.641 761 H HIS 99 H HIS 99 18.261 19.660 0.147 762 HA HIS 99 HA HIS 99 16.703 22.024 -0.562 763 HB2 HIS 99 2HB HIS 99 15.785 19.627 -0.683 764 HB3 HIS 99 1HB HIS 99 15.763 19.625 1.078 765 HD1 HIS 99 HD1 HIS 99 13.376 19.866 1.723 766 HD2 HIS 99 HD2 HIS 99 14.361 22.333 -1.459 767 HE1 HIS 99 HE1 HIS 99 11.284 21.142 1.195 768 HE2 HIS 99 HE2 HIS 99 11.849 22.425 -0.890 769 H HIS 100 H HIS 100 17.603 23.658 0.640 770 HA HIS 100 HA HIS 100 18.207 23.459 3.443 771 HB2 HIS 100 2HB HIS 100 18.109 25.845 1.548 772 HB3 HIS 100 1HB HIS 100 18.581 25.978 3.242 773 HD1 HIS 100 HD1 HIS 100 20.912 25.238 3.878 774 HD2 HIS 100 HD2 HIS 100 19.995 24.407 -0.082 775 HE1 HIS 100 HE1 HIS 100 23.068 24.524 2.835 776 HE2 HIS 100 HE2 HIS 100 22.528 24.216 0.405 777 H HIS 101 H HIS 101 15.452 24.639 1.556 778 HA HIS 101 HA HIS 101 13.968 25.234 4.048 779 HB2 HIS 101 2HB HIS 101 14.800 27.367 2.994 780 HB3 HIS 101 1HB HIS 101 13.925 26.965 1.524 781 HD1 HIS 101 HD1 HIS 101 11.463 27.578 1.450 782 HD2 HIS 101 HD2 HIS 101 13.122 28.020 5.232 783 HE1 HIS 101 HE1 HIS 101 9.726 28.777 2.804 784 HE2 HIS 101 HE2 HIS 101 10.687 28.895 5.128 Start of MODEL 15 1 H1 MET 1 1H MET 1 -0.310 20.019 2.465 2 H2 MET 1 2H MET 1 0.742 21.162 3.119 3 H3 MET 1 3H MET 1 -0.585 20.626 4.015 4 HA MET 1 HA MET 1 1.689 18.955 3.152 5 HB2 MET 1 2HB MET 1 1.002 20.057 5.906 6 HB3 MET 1 1HB MET 1 2.280 18.898 5.579 7 HG2 MET 1 2HG MET 1 2.197 21.721 4.490 8 HG3 MET 1 1HG MET 1 3.118 21.198 5.897 9 HE1 MET 1 3HE MET 1 4.343 20.723 1.501 10 HE2 MET 1 1HE MET 1 3.308 21.965 2.211 11 HE3 MET 1 2HE MET 1 2.689 20.332 1.956 12 H THR 2 H THR 2 0.314 17.383 2.350 13 HA THR 2 HA THR 2 -1.757 16.148 4.014 14 HB THR 2 HB THR 2 -0.879 15.534 1.144 15 HG1 THR 2 HG1 THR 2 -3.334 16.729 1.825 16 HG21 THR 2 3HG2 THR 2 -3.308 14.554 2.688 17 HG22 THR 2 1HG2 THR 2 -1.955 13.557 2.145 18 HG23 THR 2 2HG2 THR 2 -3.035 14.306 0.966 19 H SER 3 H SER 3 -1.406 14.299 5.149 20 HA SER 3 HA SER 3 1.066 12.939 5.291 21 HB2 SER 3 2HB SER 3 -1.692 11.938 6.121 22 HB3 SER 3 1HB SER 3 -0.141 11.311 6.689 23 HG SER 3 HG SER 3 -1.513 13.596 7.416 24 H THR 4 H THR 4 1.849 11.160 4.227 25 HA THR 4 HA THR 4 0.937 10.410 1.701 26 HB THR 4 HB THR 4 2.649 8.722 3.576 27 HG1 THR 4 HG1 THR 4 4.316 9.897 2.871 28 HG21 THR 4 3HG2 THR 4 2.411 8.661 0.538 29 HG22 THR 4 1HG2 THR 4 1.840 7.406 1.646 30 HG23 THR 4 2HG2 THR 4 3.566 7.731 1.497 31 H PHE 5 H PHE 5 0.185 9.035 4.885 32 HA PHE 5 HA PHE 5 -1.105 6.672 4.066 33 HB2 PHE 5 2HB PHE 5 -0.519 6.884 6.405 34 HB3 PHE 5 1HB PHE 5 -1.503 8.335 6.592 35 HD1 PHE 5 HD1 PHE 5 -1.822 4.690 5.679 36 HD2 PHE 5 HD2 PHE 5 -3.742 8.107 7.404 37 HE1 PHE 5 HE1 PHE 5 -3.797 3.341 6.197 38 HE2 PHE 5 HE2 PHE 5 -5.706 6.726 7.929 39 HZ PHE 5 HZ PHE 5 -5.738 4.341 7.325 40 H ASP 6 H ASP 6 -2.370 9.938 4.538 41 HA ASP 6 HA ASP 6 -5.117 9.417 4.354 42 HB2 ASP 6 2HB ASP 6 -4.190 11.563 5.160 43 HB3 ASP 6 1HB ASP 6 -3.573 11.922 3.545 44 H ARG 7 H ARG 7 -2.741 10.149 1.823 45 HA ARG 7 HA ARG 7 -4.603 10.029 -0.349 46 HB2 ARG 7 2HB ARG 7 -1.574 10.051 -0.253 47 HB3 ARG 7 1HB ARG 7 -2.474 10.016 -1.766 48 HG2 ARG 7 2HG ARG 7 -2.644 12.194 0.344 49 HG3 ARG 7 1HG ARG 7 -1.760 12.299 -1.182 50 HD2 ARG 7 2HD ARG 7 -3.856 12.107 -2.442 51 HD3 ARG 7 1HD ARG 7 -4.768 11.887 -0.946 52 HE ARG 7 HE ARG 7 -3.752 14.261 -0.452 53 HH11 ARG 7 1HH1 ARG 7 -4.999 13.166 -3.554 54 HH12 ARG 7 2HH1 ARG 7 -5.610 14.731 -3.993 55 HH21 ARG 7 1HH2 ARG 7 -4.559 16.303 -1.034 56 HH22 ARG 7 2HH2 ARG 7 -5.356 16.514 -2.560 57 H VAL 8 H VAL 8 -2.272 7.666 1.001 58 HA VAL 8 HA VAL 8 -2.698 5.578 -0.841 59 HB VAL 8 HB VAL 8 -2.048 5.394 2.141 60 HG11 VAL 8 1HG1 VAL 8 -1.751 3.226 0.028 61 HG12 VAL 8 2HG1 VAL 8 -2.911 3.220 1.354 62 HG13 VAL 8 3HG1 VAL 8 -1.183 3.110 1.698 63 HG21 VAL 8 3HG2 VAL 8 0.293 5.160 1.433 64 HG22 VAL 8 1HG2 VAL 8 -0.378 6.672 0.821 65 HG23 VAL 8 2HG2 VAL 8 -0.182 5.294 -0.260 66 H ALA 9 H ALA 9 -4.501 6.582 1.984 67 HA ALA 9 HA ALA 9 -6.184 4.365 2.364 68 HB1 ALA 9 3HB ALA 9 -5.755 6.043 4.113 69 HB2 ALA 9 1HB ALA 9 -7.489 5.865 3.825 70 HB3 ALA 9 2HB ALA 9 -6.621 7.261 3.174 71 H THR 10 H THR 10 -6.681 7.460 0.608 72 HA THR 10 HA THR 10 -9.343 6.825 -0.222 73 HB THR 10 HB THR 10 -8.684 9.172 -0.116 74 HG1 THR 10 HG1 THR 10 -9.292 8.370 -2.798 75 HG21 THR 10 3HG2 THR 10 -6.343 9.027 -0.853 76 HG22 THR 10 1HG2 THR 10 -7.232 10.209 -1.814 77 HG23 THR 10 2HG2 THR 10 -6.874 8.614 -2.483 78 H ILE 11 H ILE 11 -6.150 6.238 -1.646 79 HA ILE 11 HA ILE 11 -6.927 5.412 -4.228 80 HB ILE 11 HB ILE 11 -4.601 4.491 -2.478 81 HG12 ILE 11 2HG1 ILE 11 -4.442 6.852 -3.171 82 HG13 ILE 11 1HG1 ILE 11 -3.189 5.909 -3.966 83 HG21 ILE 11 1HG2 ILE 11 -5.083 3.763 -5.382 84 HG22 ILE 11 2HG2 ILE 11 -5.025 2.662 -4.007 85 HG23 ILE 11 3HG2 ILE 11 -3.566 3.502 -4.521 86 HD11 ILE 11 3HD1 ILE 11 -4.513 5.908 -6.014 87 HD12 ILE 11 1HD1 ILE 11 -4.157 7.537 -5.447 88 HD13 ILE 11 2HD1 ILE 11 -5.765 6.857 -5.205 89 H ILE 12 H ILE 12 -6.454 3.498 -1.253 90 HA ILE 12 HA ILE 12 -7.193 0.967 -2.247 91 HB ILE 12 HB ILE 12 -7.339 2.029 0.613 92 HG12 ILE 12 2HG1 ILE 12 -5.092 0.468 -0.754 93 HG13 ILE 12 1HG1 ILE 12 -5.070 2.203 -0.460 94 HG21 ILE 12 1HG2 ILE 12 -7.194 -0.342 1.347 95 HG22 ILE 12 2HG2 ILE 12 -7.301 -0.867 -0.335 96 HG23 ILE 12 3HG2 ILE 12 -8.663 -0.034 0.418 97 HD11 ILE 12 3HD1 ILE 12 -5.128 1.775 1.955 98 HD12 ILE 12 1HD1 ILE 12 -3.735 1.044 1.164 99 HD13 ILE 12 2HD1 ILE 12 -5.102 0.037 1.636 100 H ALA 13 H ALA 13 -9.089 3.540 -0.726 101 HA ALA 13 HA ALA 13 -11.565 2.296 -0.396 102 HB1 ALA 13 3HB ALA 13 -11.027 4.511 0.548 103 HB2 ALA 13 1HB ALA 13 -12.534 4.565 -0.370 104 HB3 ALA 13 2HB ALA 13 -11.045 5.215 -1.067 105 H GLU 14 H GLU 14 -10.370 4.199 -3.164 106 HA GLU 14 HA GLU 14 -12.721 3.904 -4.746 107 HB2 GLU 14 2HB GLU 14 -9.928 4.876 -5.481 108 HB3 GLU 14 1HB GLU 14 -11.362 5.074 -6.489 109 HG2 GLU 14 2HG GLU 14 -12.414 6.473 -4.789 110 HG3 GLU 14 1HG GLU 14 -11.061 6.214 -3.691 111 H THR 15 H THR 15 -9.570 2.207 -4.766 112 HA THR 15 HA THR 15 -10.081 0.773 -7.226 113 HB THR 15 HB THR 15 -7.984 -0.562 -6.491 114 HG1 THR 15 HG1 THR 15 -7.183 1.374 -4.764 115 HG21 THR 15 3HG2 THR 15 -7.707 2.455 -6.780 116 HG22 THR 15 1HG2 THR 15 -7.807 1.286 -8.104 117 HG23 THR 15 2HG2 THR 15 -6.416 1.267 -7.019 118 H CYS 16 H CYS 16 -9.735 -0.283 -3.812 119 HA CYS 16 HA CYS 16 -10.642 -2.968 -4.426 120 HB2 CYS 16 2HB CYS 16 -8.733 -2.478 -2.905 121 HB3 CYS 16 1HB CYS 16 -9.836 -1.696 -1.778 122 HG CYS 16 HG CYS 16 -9.059 -4.888 -2.118 123 H ASP 17 H ASP 17 -12.330 -0.163 -3.849 124 HA ASP 17 HA ASP 17 -14.413 0.417 -3.243 125 HB2 ASP 17 2HB ASP 17 -14.865 -2.500 -3.946 126 HB3 ASP 17 1HB ASP 17 -16.204 -1.475 -3.441 127 H ILE 18 H ILE 18 -12.801 0.174 -1.151 128 HA ILE 18 HA ILE 18 -14.320 -1.081 1.047 129 HB ILE 18 HB ILE 18 -11.504 0.101 1.024 130 HG12 ILE 18 2HG1 ILE 18 -12.418 -2.807 1.101 131 HG13 ILE 18 1HG1 ILE 18 -11.678 -2.001 -0.277 132 HG21 ILE 18 1HG2 ILE 18 -12.931 -1.392 3.265 133 HG22 ILE 18 2HG2 ILE 18 -12.530 0.327 3.264 134 HG23 ILE 18 3HG2 ILE 18 -11.242 -0.878 3.288 135 HD11 ILE 18 3HD1 ILE 18 -10.098 -3.421 0.848 136 HD12 ILE 18 1HD1 ILE 18 -10.365 -2.575 2.372 137 HD13 ILE 18 2HD1 ILE 18 -9.614 -1.736 1.014 138 HA PRO 19 HA PRO 19 -16.054 3.016 2.022 139 HB2 PRO 19 2HB PRO 19 -16.119 1.857 4.814 140 HB3 PRO 19 1HB PRO 19 -17.396 2.689 3.913 141 HG2 PRO 19 2HG PRO 19 -17.463 0.039 4.176 142 HG3 PRO 19 1HG PRO 19 -17.910 0.797 2.631 143 HD2 PRO 19 2HD PRO 19 -15.349 -0.609 3.385 144 HD3 PRO 19 1HD PRO 19 -16.252 -0.651 1.852 145 H ARG 20 H ARG 20 -14.942 4.820 2.396 146 HA ARG 20 HA ARG 20 -12.239 4.925 3.083 147 HB2 ARG 20 2HB ARG 20 -13.507 6.616 1.726 148 HB3 ARG 20 1HB ARG 20 -14.295 7.179 3.191 149 HG2 ARG 20 2HG ARG 20 -12.509 8.700 2.516 150 HG3 ARG 20 1HG ARG 20 -12.139 7.966 4.076 151 HD2 ARG 20 2HD ARG 20 -10.465 6.544 3.121 152 HD3 ARG 20 1HD ARG 20 -11.013 6.870 1.476 153 HE ARG 20 HE ARG 20 -9.920 8.902 1.487 154 HH11 ARG 20 1HH1 ARG 20 -9.553 7.441 4.674 155 HH12 ARG 20 2HH1 ARG 20 -8.356 8.586 5.183 156 HH21 ARG 20 1HH2 ARG 20 -8.375 10.386 2.184 157 HH22 ARG 20 2HH2 ARG 20 -7.692 10.249 3.771 158 H GLU 21 H GLU 21 -15.111 5.388 5.058 159 HA GLU 21 HA GLU 21 -13.948 6.348 7.455 160 HB2 GLU 21 2HB GLU 21 -16.138 5.671 8.487 161 HB3 GLU 21 1HB GLU 21 -16.310 6.635 7.020 162 HG2 GLU 21 2HG GLU 21 -16.693 4.503 5.735 163 HG3 GLU 21 1HG GLU 21 -16.686 3.631 7.271 164 H THR 22 H THR 22 -14.370 3.032 6.228 165 HA THR 22 HA THR 22 -13.780 1.780 8.800 166 HB THR 22 HB THR 22 -13.935 -0.384 7.573 167 HG1 THR 22 HG1 THR 22 -13.280 0.940 5.464 168 HG21 THR 22 3HG2 THR 22 -16.023 0.619 8.421 169 HG22 THR 22 1HG2 THR 22 -16.316 -0.245 6.908 170 HG23 THR 22 2HG2 THR 22 -16.215 1.517 6.913 171 H ILE 23 H ILE 23 -11.924 3.128 6.347 172 HA ILE 23 HA ILE 23 -9.626 1.390 6.488 173 HB ILE 23 HB ILE 23 -10.043 4.146 5.270 174 HG12 ILE 23 2HG1 ILE 23 -9.807 1.377 3.996 175 HG13 ILE 23 1HG1 ILE 23 -11.303 2.281 4.197 176 HG21 ILE 23 1HG2 ILE 23 -7.876 3.857 4.122 177 HG22 ILE 23 2HG2 ILE 23 -7.592 2.369 5.022 178 HG23 ILE 23 3HG2 ILE 23 -7.671 3.910 5.874 179 HD11 ILE 23 3HD1 ILE 23 -10.473 3.974 2.646 180 HD12 ILE 23 1HD1 ILE 23 -10.510 2.365 1.927 181 HD13 ILE 23 2HD1 ILE 23 -8.976 3.058 2.448 182 H THR 24 H THR 24 -8.529 1.276 8.309 183 HA THR 24 HA THR 24 -7.824 3.706 9.858 184 HB THR 24 HB THR 24 -7.575 2.181 11.841 185 HG1 THR 24 HG1 THR 24 -8.469 0.017 11.600 186 HG21 THR 24 3HG2 THR 24 -9.980 1.765 12.245 187 HG22 THR 24 1HG2 THR 24 -10.316 2.003 10.526 188 HG23 THR 24 2HG2 THR 24 -9.734 3.350 11.511 189 HA PRO 25 HA PRO 25 -3.469 3.049 8.879 190 HB2 PRO 25 2HB PRO 25 -3.054 3.454 11.852 191 HB3 PRO 25 1HB PRO 25 -2.198 4.195 10.488 192 HG2 PRO 25 2HG PRO 25 -4.042 5.590 11.791 193 HG3 PRO 25 1HG PRO 25 -3.972 5.670 10.015 194 HD2 PRO 25 2HD PRO 25 -5.896 4.160 11.773 195 HD3 PRO 25 1HD PRO 25 -6.200 5.021 10.251 196 H GLU 26 H GLU 26 -4.762 1.367 11.734 197 HA GLU 26 HA GLU 26 -2.508 -0.452 11.973 198 HB2 GLU 26 2HB GLU 26 -3.754 -1.394 13.887 199 HB3 GLU 26 1HB GLU 26 -3.675 0.363 13.982 200 HG2 GLU 26 2HG GLU 26 -6.007 0.488 13.099 201 HG3 GLU 26 1HG GLU 26 -6.082 -1.275 13.100 202 H SER 27 H SER 27 -5.403 -0.412 10.159 203 HA SER 27 HA SER 27 -6.192 -3.135 10.146 204 HB2 SER 27 2HB SER 27 -7.646 -1.272 9.371 205 HB3 SER 27 1HB SER 27 -6.583 -1.002 7.990 206 HG SER 27 HG SER 27 -8.479 -2.948 8.427 207 H HIS 28 H HIS 28 -5.348 -4.874 9.082 208 HA HIS 28 HA HIS 28 -3.087 -4.569 7.247 209 HB2 HIS 28 2HB HIS 28 -3.068 -6.307 9.071 210 HB3 HIS 28 1HB HIS 28 -4.411 -7.121 8.275 211 HD2 HIS 28 HD2 HIS 28 -0.648 -7.190 8.326 212 HE1 HIS 28 HE1 HIS 28 -1.797 -9.049 4.717 213 HE2 HIS 28 HE2 HIS 28 -0.020 -8.909 6.501 214 H ALA 29 H ALA 29 -3.341 -4.591 5.075 215 HA ALA 29 HA ALA 29 -5.658 -4.516 3.654 216 HB1 ALA 29 3HB ALA 29 -3.452 -3.908 2.738 217 HB2 ALA 29 1HB ALA 29 -4.334 -4.975 1.640 218 HB3 ALA 29 2HB ALA 29 -3.019 -5.614 2.634 219 H ILE 30 H ILE 30 -3.617 -7.511 3.800 220 HA ILE 30 HA ILE 30 -5.591 -9.028 2.357 221 HB ILE 30 HB ILE 30 -3.090 -10.022 3.796 222 HG12 ILE 30 2HG1 ILE 30 -3.567 -9.218 0.889 223 HG13 ILE 30 1HG1 ILE 30 -2.496 -8.427 2.038 224 HG21 ILE 30 1HG2 ILE 30 -4.817 -11.464 1.746 225 HG22 ILE 30 2HG2 ILE 30 -4.667 -11.881 3.454 226 HG23 ILE 30 3HG2 ILE 30 -3.279 -12.052 2.383 227 HD11 ILE 30 3HD1 ILE 30 -1.224 -9.701 0.450 228 HD12 ILE 30 1HD1 ILE 30 -2.128 -11.165 0.826 229 HD13 ILE 30 2HD1 ILE 30 -1.071 -10.442 2.041 230 H ASP 31 H ASP 31 -4.780 -8.691 5.787 231 HA ASP 31 HA ASP 31 -6.383 -10.981 6.593 232 HB2 ASP 31 2HB ASP 31 -4.333 -10.497 7.855 233 HB3 ASP 31 1HB ASP 31 -4.927 -8.889 8.268 234 H ASP 32 H ASP 32 -6.511 -7.513 7.482 235 HA ASP 32 HA ASP 32 -9.047 -7.822 8.792 236 HB2 ASP 32 2HB ASP 32 -7.163 -6.242 9.485 237 HB3 ASP 32 1HB ASP 32 -7.589 -5.223 8.119 238 H LEU 33 H LEU 33 -7.963 -6.029 5.902 239 HA LEU 33 HA LEU 33 -10.644 -5.271 5.106 240 HB2 LEU 33 2HB LEU 33 -7.977 -4.946 3.689 241 HB3 LEU 33 1HB LEU 33 -9.491 -4.224 3.161 242 HG LEU 33 HG LEU 33 -7.973 -3.557 5.717 243 HD11 LEU 33 1HD1 LEU 33 -7.627 -1.353 4.682 244 HD12 LEU 33 2HD1 LEU 33 -8.413 -1.915 3.205 245 HD13 LEU 33 3HD1 LEU 33 -6.895 -2.645 3.733 246 HD21 LEU 33 3HD2 LEU 33 -10.373 -3.392 6.151 247 HD22 LEU 33 1HD2 LEU 33 -10.600 -2.393 4.710 248 HD23 LEU 33 2HD2 LEU 33 -9.660 -1.783 6.076 249 H GLY 34 H GLY 34 -8.514 -7.933 4.492 250 HA2 GLY 34 2HA GLY 34 -8.855 -9.908 3.370 251 HA3 GLY 34 1HA GLY 34 -10.503 -9.392 3.055 252 H ILE 35 H ILE 35 -7.545 -7.755 2.035 253 HA ILE 35 HA ILE 35 -8.405 -7.687 -0.738 254 HB ILE 35 HB ILE 35 -5.866 -6.531 0.509 255 HG12 ILE 35 2HG1 ILE 35 -8.517 -5.119 -0.060 256 HG13 ILE 35 1HG1 ILE 35 -7.925 -5.553 1.539 257 HG21 ILE 35 1HG2 ILE 35 -5.729 -5.115 -1.508 258 HG22 ILE 35 2HG2 ILE 35 -7.181 -5.874 -2.163 259 HG23 ILE 35 3HG2 ILE 35 -5.708 -6.821 -1.952 260 HD11 ILE 35 3HD1 ILE 35 -7.577 -3.211 1.140 261 HD12 ILE 35 1HD1 ILE 35 -6.702 -3.542 -0.353 262 HD13 ILE 35 2HD1 ILE 35 -6.010 -4.013 1.199 263 H ASP 36 H ASP 36 -7.572 -8.966 -2.339 264 HA ASP 36 HA ASP 36 -5.621 -11.055 -1.784 265 HB2 ASP 36 2HB ASP 36 -7.121 -10.204 -4.308 266 HB3 ASP 36 1HB ASP 36 -5.882 -11.454 -4.345 267 H SER 37 H SER 37 -3.493 -11.186 -2.786 268 HA SER 37 HA SER 37 -2.101 -8.784 -3.256 269 HB2 SER 37 2HB SER 37 -1.042 -10.931 -2.498 270 HB3 SER 37 1HB SER 37 -1.306 -11.606 -4.104 271 HG SER 37 HG SER 37 0.657 -9.973 -3.218 272 H LEU 38 H LEU 38 -4.146 -10.672 -5.277 273 HA LEU 38 HA LEU 38 -3.180 -9.743 -7.832 274 HB2 LEU 38 2HB LEU 38 -5.763 -11.163 -7.060 275 HB3 LEU 38 1HB LEU 38 -5.215 -10.891 -8.708 276 HG LEU 38 HG LEU 38 -3.825 -12.660 -6.649 277 HD11 LEU 38 1HD1 LEU 38 -5.415 -13.432 -9.120 278 HD12 LEU 38 2HD1 LEU 38 -5.918 -13.651 -7.443 279 HD13 LEU 38 3HD1 LEU 38 -4.533 -14.544 -8.064 280 HD21 LEU 38 3HD2 LEU 38 -3.101 -12.164 -9.560 281 HD22 LEU 38 1HD2 LEU 38 -2.339 -13.343 -8.489 282 HD23 LEU 38 2HD2 LEU 38 -2.187 -11.622 -8.150 283 H ASP 39 H ASP 39 -5.907 -9.071 -5.647 284 HA ASP 39 HA ASP 39 -7.152 -7.020 -7.196 285 HB2 ASP 39 2HB ASP 39 -8.336 -8.276 -5.377 286 HB3 ASP 39 1HB ASP 39 -7.287 -7.524 -4.179 287 H PHE 40 H PHE 40 -4.591 -7.114 -4.852 288 HA PHE 40 HA PHE 40 -4.401 -4.372 -4.205 289 HB2 PHE 40 2HB PHE 40 -3.419 -6.470 -2.969 290 HB3 PHE 40 1HB PHE 40 -2.050 -6.287 -4.050 291 HD1 PHE 40 HD1 PHE 40 -0.619 -4.204 -3.908 292 HD2 PHE 40 HD2 PHE 40 -3.746 -4.981 -1.097 293 HE1 PHE 40 HE1 PHE 40 0.326 -2.527 -2.384 294 HE2 PHE 40 HE2 PHE 40 -2.790 -3.302 0.416 295 HZ PHE 40 HZ PHE 40 -0.764 -2.079 -0.226 296 H LEU 41 H LEU 41 -3.368 -6.180 -6.988 297 HA LEU 41 HA LEU 41 -1.182 -4.658 -7.905 298 HB2 LEU 41 2HB LEU 41 -3.288 -6.228 -9.431 299 HB3 LEU 41 1HB LEU 41 -1.888 -5.509 -10.211 300 HG LEU 41 HG LEU 41 -1.700 -7.618 -8.016 301 HD11 LEU 41 1HD1 LEU 41 -1.490 -7.998 -11.024 302 HD12 LEU 41 2HD1 LEU 41 -2.787 -8.587 -9.981 303 HD13 LEU 41 3HD1 LEU 41 -1.156 -9.227 -9.798 304 HD21 LEU 41 3HD2 LEU 41 0.416 -6.514 -9.905 305 HD22 LEU 41 1HD2 LEU 41 0.654 -7.811 -8.728 306 HD23 LEU 41 2HD2 LEU 41 0.288 -6.179 -8.177 307 H ASP 42 H ASP 42 -4.684 -4.094 -8.199 308 HA ASP 42 HA ASP 42 -4.464 -1.874 -10.043 309 HB2 ASP 42 2HB ASP 42 -6.516 -3.357 -9.864 310 HB3 ASP 42 1HB ASP 42 -6.865 -2.629 -8.307 311 H ILE 43 H ILE 43 -4.815 -2.302 -6.559 312 HA ILE 43 HA ILE 43 -5.079 0.383 -5.730 313 HB ILE 43 HB ILE 43 -3.612 -1.897 -4.307 314 HG12 ILE 43 2HG1 ILE 43 -6.535 -1.023 -4.098 315 HG13 ILE 43 1HG1 ILE 43 -5.946 -2.520 -4.813 316 HG21 ILE 43 1HG2 ILE 43 -2.999 0.276 -3.333 317 HG22 ILE 43 2HG2 ILE 43 -3.993 -0.645 -2.208 318 HG23 ILE 43 3HG2 ILE 43 -4.703 0.689 -3.121 319 HD11 ILE 43 3HD1 ILE 43 -5.816 -1.742 -1.902 320 HD12 ILE 43 1HD1 ILE 43 -5.148 -3.228 -2.590 321 HD13 ILE 43 2HD1 ILE 43 -6.884 -2.931 -2.642 322 H ALA 44 H ALA 44 -2.251 -1.647 -6.234 323 HA ALA 44 HA ALA 44 -0.237 0.207 -5.536 324 HB1 ALA 44 3HB ALA 44 0.075 -2.244 -5.409 325 HB2 ALA 44 1HB ALA 44 1.322 -1.491 -6.409 326 HB3 ALA 44 2HB ALA 44 -0.022 -2.348 -7.168 327 H PHE 45 H PHE 45 -1.767 -0.704 -8.568 328 HA PHE 45 HA PHE 45 -0.126 0.801 -10.329 329 HB2 PHE 45 2HB PHE 45 -1.726 -1.054 -11.010 330 HB3 PHE 45 1HB PHE 45 -3.052 0.088 -10.810 331 HD1 PHE 45 HD2 PHE 45 0.340 0.112 -12.459 332 HD2 PHE 45 HD1 PHE 45 -3.837 0.959 -12.857 333 HE1 PHE 45 HE2 PHE 45 0.708 0.869 -14.764 334 HE2 PHE 45 HE1 PHE 45 -3.453 1.712 -15.169 335 HZ PHE 45 HZ PHE 45 -1.183 1.670 -16.123 336 H ALA 46 H ALA 46 -3.129 1.588 -8.621 337 HA ALA 46 HA ALA 46 -3.449 4.225 -9.652 338 HB1 ALA 46 3HB ALA 46 -4.484 3.029 -7.070 339 HB2 ALA 46 1HB ALA 46 -5.310 3.015 -8.628 340 HB3 ALA 46 2HB ALA 46 -5.033 4.544 -7.791 341 H ILE 47 H ILE 47 -1.636 2.879 -6.974 342 HA ILE 47 HA ILE 47 -0.771 5.282 -5.731 343 HB ILE 47 HB ILE 47 0.349 2.448 -5.773 344 HG12 ILE 47 2HG1 ILE 47 -0.959 3.977 -3.481 345 HG13 ILE 47 1HG1 ILE 47 -1.868 2.980 -4.604 346 HG21 ILE 47 1HG2 ILE 47 1.414 4.745 -4.093 347 HG22 ILE 47 2HG2 ILE 47 2.287 3.892 -5.367 348 HG23 ILE 47 3HG2 ILE 47 1.845 3.047 -3.882 349 HD11 ILE 47 3HD1 ILE 47 -1.422 1.858 -2.487 350 HD12 ILE 47 1HD1 ILE 47 0.311 1.975 -2.783 351 HD13 ILE 47 2HD1 ILE 47 -0.704 1.002 -3.849 352 H ASP 48 H ASP 48 0.644 3.269 -8.330 353 HA ASP 48 HA ASP 48 2.988 4.704 -8.858 354 HB2 ASP 48 2HB ASP 48 1.206 3.289 -10.900 355 HB3 ASP 48 1HB ASP 48 2.863 3.807 -11.195 356 H LYS 49 H LYS 49 -0.308 5.221 -10.071 357 HA LYS 49 HA LYS 49 0.428 7.347 -11.893 358 HB2 LYS 49 2HB LYS 49 -2.291 6.293 -11.037 359 HB3 LYS 49 1HB LYS 49 -2.030 7.450 -12.339 360 HG2 LYS 49 2HG LYS 49 -0.812 5.786 -13.646 361 HG3 LYS 49 1HG LYS 49 -0.908 4.625 -12.314 362 HD2 LYS 49 2HD LYS 49 -3.271 5.740 -13.896 363 HD3 LYS 49 1HD LYS 49 -2.570 4.127 -14.075 364 HE2 LYS 49 2HE LYS 49 -3.187 3.615 -11.722 365 HE3 LYS 49 1HE LYS 49 -3.928 5.211 -11.579 366 HZ1 LYS 49 3HZ LYS 49 -4.768 3.069 -13.442 367 HZ2 LYS 49 1HZ LYS 49 -5.488 4.591 -13.290 368 HZ3 LYS 49 2HZ LYS 49 -5.540 3.499 -12.003 369 H ALA 50 H ALA 50 -0.766 7.172 -8.604 370 HA ALA 50 HA ALA 50 -1.805 9.894 -8.520 371 HB1 ALA 50 3HB ALA 50 -1.420 7.888 -6.266 372 HB2 ALA 50 1HB ALA 50 -2.904 8.134 -7.188 373 HB3 ALA 50 2HB ALA 50 -2.292 9.420 -6.147 374 H PHE 51 H PHE 51 0.846 8.085 -6.985 375 HA PHE 51 HA PHE 51 1.983 10.486 -5.788 376 HB2 PHE 51 2HB PHE 51 2.832 7.563 -5.621 377 HB3 PHE 51 1HB PHE 51 3.548 8.875 -4.694 378 HD1 PHE 51 HD1 PHE 51 0.539 6.753 -5.078 379 HD2 PHE 51 HD2 PHE 51 2.386 9.825 -2.753 380 HE1 PHE 51 HE1 PHE 51 -1.117 6.403 -3.300 381 HE2 PHE 51 HE2 PHE 51 0.723 9.466 -0.977 382 HZ PHE 51 HZ PHE 51 -1.023 7.758 -1.249 383 H GLY 52 H GLY 52 2.525 8.453 -8.572 384 HA2 GLY 52 2HA GLY 52 3.975 8.715 -10.355 385 HA3 GLY 52 1HA GLY 52 4.634 10.155 -9.587 386 H ILE 53 H ILE 53 4.413 6.853 -8.339 387 HA ILE 53 HA ILE 53 7.371 6.606 -8.222 388 HB ILE 53 HB ILE 53 7.139 5.444 -6.030 389 HG12 ILE 53 2HG1 ILE 53 4.204 6.308 -6.161 390 HG13 ILE 53 1HG1 ILE 53 4.785 4.651 -6.292 391 HG21 ILE 53 1HG2 ILE 53 6.735 7.433 -4.632 392 HG22 ILE 53 2HG2 ILE 53 5.985 8.259 -5.998 393 HG23 ILE 53 3HG2 ILE 53 7.699 7.839 -6.054 394 HD11 ILE 53 3HD1 ILE 53 3.868 5.111 -4.103 395 HD12 ILE 53 1HD1 ILE 53 5.017 6.424 -3.868 396 HD13 ILE 53 2HD1 ILE 53 5.589 4.758 -3.987 397 H LYS 54 H LYS 54 7.803 4.144 -7.499 398 HA LYS 54 HA LYS 54 6.104 2.322 -9.103 399 HB2 LYS 54 2HB LYS 54 8.255 2.776 -10.260 400 HB3 LYS 54 1HB LYS 54 9.149 2.289 -8.824 401 HG2 LYS 54 2HG LYS 54 8.160 -0.015 -9.081 402 HG3 LYS 54 1HG LYS 54 7.424 0.517 -10.596 403 HD2 LYS 54 2HD LYS 54 9.488 -0.695 -11.073 404 HD3 LYS 54 1HD LYS 54 9.693 1.007 -11.504 405 HE2 LYS 54 2HE LYS 54 10.873 1.365 -9.314 406 HE3 LYS 54 1HE LYS 54 10.743 -0.368 -8.995 407 HZ1 LYS 54 3HZ LYS 54 12.142 0.852 -11.305 408 HZ2 LYS 54 1HZ LYS 54 12.069 -0.794 -10.937 409 HZ3 LYS 54 2HZ LYS 54 12.888 0.262 -9.908 410 H LEU 55 H LEU 55 5.014 1.192 -7.596 411 HA LEU 55 HA LEU 55 6.305 0.271 -5.121 412 HB2 LEU 55 2HB LEU 55 3.996 1.316 -5.156 413 HB3 LEU 55 1HB LEU 55 3.419 -0.081 -6.047 414 HG LEU 55 HG LEU 55 4.657 -0.361 -3.280 415 HD11 LEU 55 1HD1 LEU 55 2.414 -0.302 -2.292 416 HD12 LEU 55 2HD1 LEU 55 1.718 0.118 -3.861 417 HD13 LEU 55 3HD1 LEU 55 2.822 1.234 -3.052 418 HD21 LEU 55 3HD2 LEU 55 3.335 -2.434 -3.130 419 HD22 LEU 55 1HD2 LEU 55 4.418 -2.474 -4.521 420 HD23 LEU 55 2HD2 LEU 55 2.696 -2.162 -4.756 421 HA PRO 56 HA PRO 56 6.924 -3.568 -7.594 422 HB2 PRO 56 2HB PRO 56 9.142 -4.515 -6.349 423 HB3 PRO 56 1HB PRO 56 9.223 -3.133 -7.455 424 HG2 PRO 56 2HG PRO 56 9.255 -3.167 -4.450 425 HG3 PRO 56 1HG PRO 56 10.157 -2.124 -5.567 426 HD2 PRO 56 2HD PRO 56 7.784 -1.418 -4.223 427 HD3 PRO 56 1HD PRO 56 8.447 -0.575 -5.639 428 H LEU 57 H LEU 57 4.870 -4.287 -6.731 429 HA LEU 57 HA LEU 57 4.526 -5.310 -4.097 430 HB2 LEU 57 2HB LEU 57 2.652 -4.410 -5.459 431 HB3 LEU 57 1HB LEU 57 2.825 -5.752 -6.580 432 HG LEU 57 HG LEU 57 2.229 -7.342 -4.736 433 HD11 LEU 57 1HD1 LEU 57 2.938 -6.051 -2.798 434 HD12 LEU 57 2HD1 LEU 57 1.242 -6.499 -2.648 435 HD13 LEU 57 3HD1 LEU 57 1.677 -4.849 -3.098 436 HD21 LEU 57 3HD2 LEU 57 0.147 -5.205 -5.281 437 HD22 LEU 57 1HD2 LEU 57 -0.171 -6.846 -4.708 438 HD23 LEU 57 2HD2 LEU 57 0.515 -6.592 -6.309 439 H GLU 58 H GLU 58 5.301 -6.739 -7.193 440 HA GLU 58 HA GLU 58 4.994 -9.460 -6.705 441 HB2 GLU 58 2HB GLU 58 6.654 -9.778 -8.554 442 HB3 GLU 58 1HB GLU 58 5.383 -8.629 -8.954 443 HG2 GLU 58 2HG GLU 58 6.945 -6.750 -8.474 444 HG3 GLU 58 1HG GLU 58 8.220 -7.918 -8.125 445 H LYS 59 H LYS 59 7.582 -7.269 -5.851 446 HA LYS 59 HA LYS 59 9.352 -9.397 -4.938 447 HB2 LYS 59 2HB LYS 59 10.129 -7.250 -6.186 448 HB3 LYS 59 1HB LYS 59 9.913 -6.436 -4.640 449 HG2 LYS 59 2HG LYS 59 11.488 -8.211 -3.647 450 HG3 LYS 59 1HG LYS 59 11.840 -8.682 -5.314 451 HD2 LYS 59 2HD LYS 59 13.572 -7.156 -4.596 452 HD3 LYS 59 1HD LYS 59 12.557 -6.303 -5.760 453 HE2 LYS 59 2HE LYS 59 13.068 -4.835 -3.881 454 HE3 LYS 59 1HE LYS 59 11.343 -5.215 -3.864 455 HZ1 LYS 59 3HZ LYS 59 12.230 -5.383 -1.668 456 HZ2 LYS 59 1HZ LYS 59 13.456 -6.431 -2.170 457 HZ3 LYS 59 2HZ LYS 59 11.844 -6.944 -2.193 458 H TRP 60 H TRP 60 7.303 -6.829 -3.585 459 HA TRP 60 HA TRP 60 8.096 -6.978 -0.873 460 HB2 TRP 60 2HB TRP 60 5.476 -6.117 -2.156 461 HB3 TRP 60 1HB TRP 60 5.718 -6.054 -0.414 462 HD1 TRP 60 HD1 TRP 60 8.825 -5.012 -2.284 463 HE1 TRP 60 HE1 TRP 60 9.053 -2.459 -2.200 464 HE3 TRP 60 HE3 TRP 60 4.199 -3.837 -0.450 465 HZ2 TRP 60 HZ2 TRP 60 7.508 -0.240 -1.446 466 HZ3 TRP 60 HZ3 TRP 60 3.660 -1.468 -0.068 467 HH2 TRP 60 HH2 TRP 60 5.278 0.292 -0.559 468 H THR 61 H THR 61 5.496 -8.652 -2.614 469 HA THR 61 HA THR 61 4.606 -10.362 -0.577 470 HB THR 61 HB THR 61 4.595 -10.801 -3.602 471 HG1 THR 61 HG1 THR 61 3.306 -9.110 -3.431 472 HG21 THR 61 3HG2 THR 61 2.653 -12.294 -3.206 473 HG22 THR 61 1HG2 THR 61 2.850 -12.098 -1.464 474 HG23 THR 61 2HG2 THR 61 4.097 -12.919 -2.406 475 H GLN 62 H GLN 62 7.333 -10.592 -2.827 476 HA GLN 62 HA GLN 62 7.995 -13.324 -2.297 477 HB2 GLN 62 2HB GLN 62 8.655 -12.221 -4.403 478 HB3 GLN 62 1HB GLN 62 9.690 -11.106 -3.525 479 HG2 GLN 62 2HG GLN 62 10.989 -12.882 -4.624 480 HG3 GLN 62 1HG GLN 62 11.163 -12.946 -2.871 481 HE21 GLN 62 1HE2 GLN 62 11.702 -15.111 -2.755 482 HE22 GLN 62 2HE2 GLN 62 10.628 -16.396 -3.175 483 H GLU 63 H GLU 63 8.976 -10.239 -0.825 484 HA GLU 63 HA GLU 63 11.031 -11.123 0.863 485 HB2 GLU 63 2HB GLU 63 8.873 -9.101 1.630 486 HB3 GLU 63 1HB GLU 63 10.476 -9.238 2.345 487 HG2 GLU 63 2HG GLU 63 9.794 -8.321 -0.458 488 HG3 GLU 63 1HG GLU 63 10.343 -7.313 0.876 489 H VAL 64 H VAL 64 7.526 -11.264 1.184 490 HA VAL 64 HA VAL 64 7.385 -12.462 3.757 491 HB VAL 64 HB VAL 64 5.307 -12.593 1.526 492 HG11 VAL 64 1HG1 VAL 64 4.855 -14.200 3.327 493 HG12 VAL 64 2HG1 VAL 64 3.659 -12.904 3.349 494 HG13 VAL 64 3HG1 VAL 64 4.968 -12.916 4.536 495 HG21 VAL 64 3HG2 VAL 64 4.289 -10.571 2.545 496 HG22 VAL 64 1HG2 VAL 64 5.923 -10.256 1.955 497 HG23 VAL 64 2HG2 VAL 64 5.636 -10.468 3.683 498 H ASN 65 H ASN 65 7.221 -13.775 0.449 499 HA ASN 65 HA ASN 65 6.695 -16.451 0.993 500 HB2 ASN 65 2HB ASN 65 8.305 -15.328 -1.341 501 HB3 ASN 65 1HB ASN 65 7.626 -16.953 -1.279 502 HD21 ASN 65 1HD2 ASN 65 7.109 -14.997 -3.269 503 HD22 ASN 65 2HD2 ASN 65 5.428 -14.612 -3.217 504 H ASP 66 H ASP 66 9.842 -14.839 0.751 505 HA ASP 66 HA ASP 66 11.361 -17.300 1.104 506 HB2 ASP 66 2HB ASP 66 12.091 -15.529 -0.505 507 HB3 ASP 66 1HB ASP 66 12.315 -14.410 0.838 508 H GLY 67 H GLY 67 9.937 -14.980 3.156 509 HA2 GLY 67 2HA GLY 67 9.922 -14.885 5.460 510 HA3 GLY 67 1HA GLY 67 11.252 -16.029 5.520 511 H LYS 68 H LYS 68 11.744 -13.290 3.489 512 HA LYS 68 HA LYS 68 13.822 -12.085 5.027 513 HB2 LYS 68 2HB LYS 68 12.106 -10.970 2.758 514 HB3 LYS 68 1HB LYS 68 13.509 -10.140 3.425 515 HG2 LYS 68 2HG LYS 68 13.632 -12.878 2.118 516 HG3 LYS 68 1HG LYS 68 13.908 -11.353 1.265 517 HD2 LYS 68 2HD LYS 68 15.788 -10.878 2.905 518 HD3 LYS 68 1HD LYS 68 15.562 -12.508 3.552 519 HE2 LYS 68 2HE LYS 68 16.138 -13.473 1.377 520 HE3 LYS 68 1HE LYS 68 16.263 -11.862 0.662 521 HZ1 LYS 68 3HZ LYS 68 18.414 -12.775 1.219 522 HZ2 LYS 68 1HZ LYS 68 17.971 -12.921 2.841 523 HZ3 LYS 68 2HZ LYS 68 18.102 -11.391 2.134 524 H ALA 69 H ALA 69 10.371 -11.648 4.854 525 HA ALA 69 HA ALA 69 10.215 -9.894 7.135 526 HB1 ALA 69 3HB ALA 69 10.787 -8.240 5.387 527 HB2 ALA 69 1HB ALA 69 9.139 -7.997 5.970 528 HB3 ALA 69 2HB ALA 69 9.421 -8.783 4.412 529 H THR 70 H THR 70 7.874 -9.199 7.423 530 HA THR 70 HA THR 70 6.086 -11.477 6.822 531 HB THR 70 HB THR 70 4.724 -10.542 8.750 532 HG1 THR 70 HG1 THR 70 6.335 -9.136 10.122 533 HG21 THR 70 3HG2 THR 70 6.271 -12.429 9.128 534 HG22 THR 70 1HG2 THR 70 6.231 -11.362 10.536 535 HG23 THR 70 2HG2 THR 70 7.597 -11.300 9.421 536 H THR 71 H THR 71 3.930 -11.083 6.342 537 HA THR 71 HA THR 71 3.374 -9.337 4.243 538 HB THR 71 HB THR 71 1.133 -10.416 5.990 539 HG1 THR 71 HG1 THR 71 2.290 -12.217 6.002 540 HG21 THR 71 3HG2 THR 71 0.119 -10.996 3.820 541 HG22 THR 71 1HG2 THR 71 1.563 -10.413 2.984 542 HG23 THR 71 2HG2 THR 71 0.544 -9.284 3.881 543 H GLU 72 H GLU 72 2.976 -9.027 7.669 544 HA GLU 72 HA GLU 72 1.248 -6.882 7.990 545 HB2 GLU 72 2HB GLU 72 2.006 -8.360 9.808 546 HB3 GLU 72 1HB GLU 72 3.658 -7.774 9.632 547 HG2 GLU 72 2HG GLU 72 2.961 -5.550 10.404 548 HG3 GLU 72 1HG GLU 72 1.295 -6.105 10.523 549 H GLN 73 H GLN 73 4.724 -6.933 7.338 550 HA GLN 73 HA GLN 73 5.276 -4.200 7.900 551 HB2 GLN 73 2HB GLN 73 6.948 -6.037 8.012 552 HB3 GLN 73 1HB GLN 73 6.864 -6.227 6.265 553 HG2 GLN 73 2HG GLN 73 7.799 -3.964 5.968 554 HG3 GLN 73 1HG GLN 73 7.850 -3.745 7.718 555 HE21 GLN 73 1HE2 GLN 73 10.029 -3.659 5.772 556 HE22 GLN 73 2HE2 GLN 73 11.179 -4.839 6.284 557 H TYR 74 H TYR 74 3.917 -5.724 5.080 558 HA TYR 74 HA TYR 74 4.472 -3.316 3.419 559 HB2 TYR 74 2HB TYR 74 4.284 -6.215 2.493 560 HB3 TYR 74 1HB TYR 74 4.468 -4.825 1.426 561 HD1 TYR 74 HD1 TYR 74 6.541 -3.253 1.948 562 HD2 TYR 74 HD2 TYR 74 6.255 -7.336 3.194 563 HE1 TYR 74 HE1 TYR 74 8.983 -3.353 2.176 564 HE2 TYR 74 HE2 TYR 74 8.696 -7.430 3.408 565 HH TYR 74 HH TYR 74 10.660 -6.340 2.691 566 H PHE 75 H PHE 75 1.978 -4.949 4.929 567 HA PHE 75 HA PHE 75 0.006 -4.081 2.895 568 HB2 PHE 75 2HB PHE 75 0.083 -6.751 4.339 569 HB3 PHE 75 1HB PHE 75 -1.381 -6.141 3.573 570 HD1 PHE 75 HD1 PHE 75 2.020 -7.477 2.942 571 HD2 PHE 75 HD2 PHE 75 -1.577 -6.043 1.135 572 HE1 PHE 75 HE1 PHE 75 2.749 -8.380 0.778 573 HE2 PHE 75 HE2 PHE 75 -0.839 -6.950 -1.035 574 HZ PHE 75 HZ PHE 75 1.320 -8.118 -1.217 575 H VAL 76 H VAL 76 0.636 -4.460 6.414 576 HA VAL 76 HA VAL 76 -1.827 -3.322 7.270 577 HB VAL 76 HB VAL 76 0.939 -3.041 8.540 578 HG11 VAL 76 1HG1 VAL 76 -0.196 -2.207 10.584 579 HG12 VAL 76 2HG1 VAL 76 -1.736 -2.184 9.720 580 HG13 VAL 76 3HG1 VAL 76 -0.429 -1.105 9.226 581 HG21 VAL 76 3HG2 VAL 76 0.022 -5.329 8.551 582 HG22 VAL 76 1HG2 VAL 76 -1.453 -4.746 9.327 583 HG23 VAL 76 2HG2 VAL 76 0.088 -4.670 10.184 584 H LEU 77 H LEU 77 -2.551 -1.218 7.208 585 HA LEU 77 HA LEU 77 -1.767 0.058 4.842 586 HB2 LEU 77 2HB LEU 77 -3.583 1.177 6.995 587 HB3 LEU 77 1HB LEU 77 -3.504 1.707 5.320 588 HG LEU 77 HG LEU 77 -4.580 -0.925 6.380 589 HD11 LEU 77 1HD1 LEU 77 -6.100 0.976 6.524 590 HD12 LEU 77 2HD1 LEU 77 -6.671 -0.223 5.370 591 HD13 LEU 77 3HD1 LEU 77 -5.922 1.267 4.791 592 HD21 LEU 77 3HD2 LEU 77 -4.100 -0.204 3.474 593 HD22 LEU 77 1HD2 LEU 77 -5.038 -1.588 4.040 594 HD23 LEU 77 2HD2 LEU 77 -3.315 -1.493 4.385 595 H LYS 78 H LYS 78 -1.137 0.952 8.232 596 HA LYS 78 HA LYS 78 0.139 3.418 7.632 597 HB2 LYS 78 2HB LYS 78 0.969 3.388 9.971 598 HB3 LYS 78 1HB LYS 78 -0.747 3.078 9.844 599 HG2 LYS 78 2HG LYS 78 -0.101 1.588 11.505 600 HG3 LYS 78 1HG LYS 78 -0.114 0.568 10.068 601 HD2 LYS 78 2HD LYS 78 2.306 0.679 9.908 602 HD3 LYS 78 1HD LYS 78 2.381 1.864 11.208 603 HE2 LYS 78 2HE LYS 78 1.323 -0.950 11.586 604 HE3 LYS 78 1HE LYS 78 3.002 -0.504 11.855 605 HZ1 LYS 78 3HZ LYS 78 2.260 1.088 13.522 606 HZ2 LYS 78 1HZ LYS 78 1.787 -0.491 13.908 607 HZ3 LYS 78 2HZ LYS 78 0.657 0.600 13.288 608 H ASN 79 H ASN 79 1.417 0.117 7.891 609 HA ASN 79 HA ASN 79 4.202 0.773 7.662 610 HB2 ASN 79 2HB ASN 79 2.615 -1.803 7.296 611 HB3 ASN 79 1HB ASN 79 4.341 -1.752 6.959 612 HD21 ASN 79 1HD2 ASN 79 2.788 -3.225 8.987 613 HD22 ASN 79 2HD2 ASN 79 3.536 -2.837 10.490 614 H LEU 80 H LEU 80 1.811 -0.480 5.388 615 HA LEU 80 HA LEU 80 3.058 -0.410 2.966 616 HB2 LEU 80 2HB LEU 80 0.816 -1.291 3.237 617 HB3 LEU 80 1HB LEU 80 0.209 0.265 3.777 618 HG LEU 80 HG LEU 80 0.587 1.174 1.463 619 HD11 LEU 80 1HD1 LEU 80 2.332 -0.337 0.673 620 HD12 LEU 80 2HD1 LEU 80 0.950 -0.357 -0.417 621 HD13 LEU 80 3HD1 LEU 80 1.201 -1.697 0.703 622 HD21 LEU 80 3HD2 LEU 80 -1.370 0.091 0.441 623 HD22 LEU 80 1HD2 LEU 80 -1.639 0.448 2.147 624 HD23 LEU 80 2HD2 LEU 80 -1.285 -1.204 1.636 625 H ALA 81 H ALA 81 1.359 2.254 4.604 626 HA ALA 81 HA ALA 81 1.829 4.227 2.572 627 HB1 ALA 81 3HB ALA 81 -0.130 4.348 4.051 628 HB2 ALA 81 1HB ALA 81 0.841 5.816 4.165 629 HB3 ALA 81 2HB ALA 81 0.922 4.599 5.445 630 H ALA 82 H ALA 82 3.601 3.116 5.354 631 HA ALA 82 HA ALA 82 5.426 5.342 5.514 632 HB1 ALA 82 3HB ALA 82 5.043 3.870 7.459 633 HB2 ALA 82 1HB ALA 82 6.749 3.900 7.001 634 HB3 ALA 82 2HB ALA 82 5.742 2.512 6.577 635 H ARG 83 H ARG 83 5.465 2.119 3.972 636 HA ARG 83 HA ARG 83 8.010 2.356 2.753 637 HB2 ARG 83 2HB ARG 83 5.639 0.627 1.935 638 HB3 ARG 83 1HB ARG 83 7.275 0.451 1.318 639 HG2 ARG 83 2HG ARG 83 6.257 -0.163 4.101 640 HG3 ARG 83 1HG ARG 83 6.983 -1.269 2.930 641 HD2 ARG 83 2HD ARG 83 8.368 0.937 4.484 642 HD3 ARG 83 1HD ARG 83 8.600 -0.797 4.683 643 HE ARG 83 HE ARG 83 9.314 -0.311 2.083 644 HH11 ARG 83 1HH1 ARG 83 10.361 1.105 5.141 645 HH12 ARG 83 2HH1 ARG 83 11.964 1.446 4.569 646 HH21 ARG 83 1HH2 ARG 83 11.414 0.182 1.357 647 HH22 ARG 83 2HH2 ARG 83 12.554 0.910 2.440 648 H ILE 84 H ILE 84 4.785 3.317 1.733 649 HA ILE 84 HA ILE 84 5.511 4.115 -0.939 650 HB ILE 84 HB ILE 84 3.080 4.772 0.786 651 HG12 ILE 84 2HG1 ILE 84 3.355 2.927 -1.636 652 HG13 ILE 84 1HG1 ILE 84 3.375 2.386 0.038 653 HG21 ILE 84 1HG2 ILE 84 3.438 5.476 -2.154 654 HG22 ILE 84 2HG2 ILE 84 3.385 6.625 -0.821 655 HG23 ILE 84 3HG2 ILE 84 1.956 5.675 -1.217 656 HD11 ILE 84 3HD1 ILE 84 1.232 2.002 -1.011 657 HD12 ILE 84 1HD1 ILE 84 1.063 3.724 -1.346 658 HD13 ILE 84 2HD1 ILE 84 1.084 3.146 0.322 659 H ASP 85 H ASP 85 5.042 5.822 2.166 660 HA ASP 85 HA ASP 85 5.891 8.365 1.475 661 HB2 ASP 85 2HB ASP 85 4.975 7.798 3.700 662 HB3 ASP 85 1HB ASP 85 6.439 6.905 4.087 663 H GLU 86 H GLU 86 7.871 5.535 2.273 664 HA GLU 86 HA GLU 86 10.438 6.612 2.198 665 HB2 GLU 86 2HB GLU 86 9.838 4.301 2.940 666 HB3 GLU 86 1HB GLU 86 9.440 3.876 1.290 667 HG2 GLU 86 2HG GLU 86 11.540 2.910 1.643 668 HG3 GLU 86 1HG GLU 86 11.874 4.363 0.703 669 H LEU 87 H LEU 87 8.449 5.214 -0.413 670 HA LEU 87 HA LEU 87 10.246 5.616 -2.558 671 HB2 LEU 87 2HB LEU 87 7.232 5.253 -2.609 672 HB3 LEU 87 1HB LEU 87 8.270 5.142 -4.025 673 HG LEU 87 HG LEU 87 8.373 3.279 -1.614 674 HD11 LEU 87 1HD1 LEU 87 7.263 2.756 -4.384 675 HD12 LEU 87 2HD1 LEU 87 6.333 2.941 -2.895 676 HD13 LEU 87 3HD1 LEU 87 7.419 1.568 -3.082 677 HD21 LEU 87 3HD2 LEU 87 9.922 3.116 -4.226 678 HD22 LEU 87 1HD2 LEU 87 9.921 1.902 -2.943 679 HD23 LEU 87 2HD2 LEU 87 10.586 3.503 -2.635 680 H VAL 88 H VAL 88 7.554 7.695 -1.390 681 HA VAL 88 HA VAL 88 7.803 9.566 -3.579 682 HB VAL 88 HB VAL 88 6.138 10.966 -2.507 683 HG11 VAL 88 1HG1 VAL 88 5.383 8.033 -2.213 684 HG12 VAL 88 2HG1 VAL 88 5.289 8.990 -3.692 685 HG13 VAL 88 3HG1 VAL 88 4.246 9.380 -2.326 686 HG21 VAL 88 3HG2 VAL 88 5.170 10.456 -0.263 687 HG22 VAL 88 1HG2 VAL 88 6.878 10.896 -0.162 688 HG23 VAL 88 2HG2 VAL 88 6.395 9.207 -0.036 689 H ALA 89 H ALA 89 9.123 9.305 -0.351 690 HA ALA 89 HA ALA 89 10.389 11.900 -0.352 691 HB1 ALA 89 3HB ALA 89 11.615 11.065 1.615 692 HB2 ALA 89 1HB ALA 89 10.984 9.440 1.323 693 HB3 ALA 89 2HB ALA 89 9.884 10.750 1.758 694 H ALA 90 H ALA 90 11.327 8.596 -1.345 695 HA ALA 90 HA ALA 90 13.955 8.972 -2.077 696 HB1 ALA 90 3HB ALA 90 13.666 7.142 -3.659 697 HB2 ALA 90 1HB ALA 90 11.911 7.348 -3.626 698 HB3 ALA 90 2HB ALA 90 12.764 6.805 -2.182 699 H LYS 91 H LYS 91 11.068 9.650 -4.146 700 HA LYS 91 HA LYS 91 12.632 10.784 -6.270 701 HB2 LYS 91 2HB LYS 91 10.543 11.484 -7.291 702 HB3 LYS 91 1HB LYS 91 10.343 9.856 -6.651 703 HG2 LYS 91 2HG LYS 91 9.154 10.781 -4.692 704 HG3 LYS 91 1HG LYS 91 9.343 12.407 -5.352 705 HD2 LYS 91 2HD LYS 91 8.029 11.602 -7.384 706 HD3 LYS 91 1HD LYS 91 7.683 10.122 -6.479 707 HE2 LYS 91 2HE LYS 91 5.820 11.682 -6.237 708 HE3 LYS 91 1HE LYS 91 6.638 11.516 -4.683 709 HZ1 LYS 91 3HZ LYS 91 6.168 13.811 -5.100 710 HZ2 LYS 91 1HZ LYS 91 6.922 13.752 -6.614 711 HZ3 LYS 91 2HZ LYS 91 7.840 13.590 -5.206 712 H GLY 92 H GLY 92 10.893 12.140 -3.451 713 HA2 GLY 92 2HA GLY 92 11.362 14.885 -3.847 714 HA3 GLY 92 1HA GLY 92 11.116 14.105 -2.293 715 H ALA 93 H ALA 93 13.499 12.389 -2.849 716 HA ALA 93 HA ALA 93 15.561 14.008 -1.644 717 HB1 ALA 93 3HB ALA 93 15.413 11.574 -1.213 718 HB2 ALA 93 1HB ALA 93 16.992 12.013 -1.869 719 HB3 ALA 93 2HB ALA 93 15.783 11.250 -2.907 720 H LEU 94 H LEU 94 14.726 12.926 -4.874 721 HA LEU 94 HA LEU 94 17.093 13.966 -6.205 722 HB2 LEU 94 2HB LEU 94 14.494 13.008 -7.470 723 HB3 LEU 94 1HB LEU 94 16.072 13.127 -8.237 724 HG LEU 94 HG LEU 94 15.316 11.151 -6.046 725 HD11 LEU 94 1HD1 LEU 94 15.742 10.663 -9.006 726 HD12 LEU 94 2HD1 LEU 94 14.201 10.621 -8.144 727 HD13 LEU 94 3HD1 LEU 94 15.443 9.428 -7.778 728 HD21 LEU 94 3HD2 LEU 94 17.684 11.727 -5.886 729 HD22 LEU 94 1HD2 LEU 94 17.917 11.379 -7.602 730 HD23 LEU 94 2HD2 LEU 94 17.495 10.082 -6.482 731 H GLU 95 H GLU 95 13.750 14.909 -5.585 732 HA GLU 95 HA GLU 95 13.578 17.097 -7.428 733 HB2 GLU 95 2HB GLU 95 11.844 16.377 -5.027 734 HB3 GLU 95 1HB GLU 95 11.474 17.682 -6.152 735 HG2 GLU 95 2HG GLU 95 11.225 16.058 -7.971 736 HG3 GLU 95 1HG GLU 95 11.653 14.742 -6.887 737 H HIS 96 H HIS 96 15.056 18.635 -7.122 738 HA HIS 96 HA HIS 96 15.690 19.765 -4.517 739 HB2 HIS 96 2HB HIS 96 16.625 20.544 -7.322 740 HB3 HIS 96 1HB HIS 96 17.258 21.198 -5.811 741 HD1 HIS 96 HD1 HIS 96 17.638 18.391 -8.151 742 HD2 HIS 96 HD2 HIS 96 18.718 19.250 -4.235 743 HE1 HIS 96 HE1 HIS 96 19.412 16.716 -7.567 744 HE2 HIS 96 HE2 HIS 96 20.161 17.365 -5.244 745 H HIS 97 H HIS 97 13.813 20.674 -3.800 746 HA HIS 97 HA HIS 97 12.079 22.306 -5.435 747 HB2 HIS 97 2HB HIS 97 12.021 21.851 -2.416 748 HB3 HIS 97 1HB HIS 97 10.739 22.600 -3.363 749 HD1 HIS 97 HD1 HIS 97 9.347 21.018 -4.937 750 HD2 HIS 97 HD2 HIS 97 12.023 19.076 -2.428 751 HE1 HIS 97 HE1 HIS 97 8.685 18.596 -4.994 752 HE2 HIS 97 HE2 HIS 97 10.215 17.487 -3.329 753 H HIS 98 H HIS 98 14.210 22.883 -2.641 754 HA HIS 98 HA HIS 98 15.075 24.697 -1.621 755 HB2 HIS 98 2HB HIS 98 14.884 25.990 -4.377 756 HB3 HIS 98 1HB HIS 98 15.801 26.641 -3.025 757 HD1 HIS 98 HD1 HIS 98 18.171 25.851 -2.794 758 HD2 HIS 98 HD2 HIS 98 15.970 23.482 -5.391 759 HE1 HIS 98 HE1 HIS 98 19.831 24.315 -3.865 760 HE2 HIS 98 HE2 HIS 98 18.431 22.745 -5.235 761 H HIS 99 H HIS 99 12.642 24.409 -0.879 762 HA HIS 99 HA HIS 99 10.838 26.575 -1.539 763 HB2 HIS 99 2HB HIS 99 9.962 24.279 -1.097 764 HB3 HIS 99 1HB HIS 99 10.551 24.370 0.563 765 HD1 HIS 99 HD1 HIS 99 8.493 24.553 1.964 766 HD2 HIS 99 HD2 HIS 99 8.315 27.057 -1.349 767 HE1 HIS 99 HE1 HIS 99 6.384 25.878 2.236 768 HE2 HIS 99 HE2 HIS 99 6.285 27.372 0.207 769 H HIS 100 H HIS 100 10.486 28.403 -0.384 770 HA HIS 100 HA HIS 100 12.184 29.369 1.633 771 HB2 HIS 100 2HB HIS 100 9.411 30.235 0.732 772 HB3 HIS 100 1HB HIS 100 10.280 31.094 1.996 773 HD1 HIS 100 HD1 HIS 100 9.982 30.843 -1.651 774 HD2 HIS 100 HD2 HIS 100 12.694 32.382 1.089 775 HE1 HIS 100 HE1 HIS 100 11.478 32.367 -2.970 776 HE2 HIS 100 HE2 HIS 100 12.987 33.416 -1.253 777 H HIS 101 H HIS 101 12.197 29.196 3.791 778 HA HIS 101 HA HIS 101 9.871 28.131 5.255 779 HB2 HIS 101 2HB HIS 101 11.563 26.696 6.605 780 HB3 HIS 101 1HB HIS 101 11.102 26.126 5.011 781 HD1 HIS 101 HD1 HIS 101 12.929 25.914 3.258 782 HD2 HIS 101 HD2 HIS 101 14.294 27.603 6.794 783 HE1 HIS 101 HE1 HIS 101 15.425 25.977 3.048 784 HE2 HIS 101 HE2 HIS 101 16.211 27.165 5.116 Start of MODEL 16 1 H1 MET 1 1H MET 1 0.973 19.052 6.366 2 H2 MET 1 2H MET 1 1.863 19.931 5.235 3 H3 MET 1 3H MET 1 1.628 18.278 5.007 4 HA MET 1 HA MET 1 -0.474 20.349 4.987 5 HB2 MET 1 2HB MET 1 0.977 20.437 2.982 6 HB3 MET 1 1HB MET 1 0.714 18.724 2.700 7 HG2 MET 1 2HG MET 1 -1.693 19.179 2.311 8 HG3 MET 1 1HG MET 1 -1.388 20.900 2.553 9 HE1 MET 1 3HE MET 1 0.270 18.449 -1.027 10 HE2 MET 1 1HE MET 1 -0.795 17.776 0.208 11 HE3 MET 1 2HE MET 1 0.864 18.225 0.613 12 H THR 2 H THR 2 0.291 16.966 4.073 13 HA THR 2 HA THR 2 -2.274 16.030 5.154 14 HB THR 2 HB THR 2 -1.396 15.381 2.295 15 HG1 THR 2 HG1 THR 2 -3.522 17.061 3.213 16 HG21 THR 2 3HG2 THR 2 -3.957 14.715 3.805 17 HG22 THR 2 1HG2 THR 2 -2.700 13.563 3.352 18 HG23 THR 2 2HG2 THR 2 -3.654 14.366 2.102 19 H SER 3 H SER 3 -2.017 14.148 6.198 20 HA SER 3 HA SER 3 0.475 12.877 6.552 21 HB2 SER 3 2HB SER 3 -2.310 11.829 7.233 22 HB3 SER 3 1HB SER 3 -0.787 11.268 7.931 23 HG SER 3 HG SER 3 -0.577 13.169 9.021 24 H THR 4 H THR 4 1.362 11.024 5.655 25 HA THR 4 HA THR 4 0.732 10.395 2.997 26 HB THR 4 HB THR 4 2.376 8.595 4.835 27 HG1 THR 4 HG1 THR 4 4.111 10.057 3.783 28 HG21 THR 4 3HG2 THR 4 3.628 8.077 2.751 29 HG22 THR 4 1HG2 THR 4 2.555 9.128 1.829 30 HG23 THR 4 2HG2 THR 4 1.923 7.654 2.578 31 H PHE 5 H PHE 5 -0.414 8.965 6.011 32 HA PHE 5 HA PHE 5 -1.382 6.528 4.891 33 HB2 PHE 5 2HB PHE 5 -1.152 6.468 7.255 34 HB3 PHE 5 1HB PHE 5 -2.041 7.970 7.481 35 HD1 PHE 5 HD1 PHE 5 -2.608 4.491 6.094 36 HD2 PHE 5 HD2 PHE 5 -4.279 7.814 8.220 37 HE1 PHE 5 HE1 PHE 5 -4.737 3.295 6.335 38 HE2 PHE 5 HE2 PHE 5 -6.393 6.589 8.456 39 HZ PHE 5 HZ PHE 5 -6.623 4.334 7.515 40 H ASP 6 H ASP 6 -2.910 9.672 5.538 41 HA ASP 6 HA ASP 6 -5.543 9.118 4.792 42 HB2 ASP 6 2HB ASP 6 -4.897 11.237 5.867 43 HB3 ASP 6 1HB ASP 6 -3.974 11.712 4.448 44 H ARG 7 H ARG 7 -2.786 10.110 2.791 45 HA ARG 7 HA ARG 7 -4.063 10.336 0.289 46 HB2 ARG 7 2HB ARG 7 -1.190 9.574 0.963 47 HB3 ARG 7 1HB ARG 7 -1.749 10.017 -0.650 48 HG2 ARG 7 2HG ARG 7 -1.779 11.831 1.795 49 HG3 ARG 7 1HG ARG 7 -0.584 11.874 0.500 50 HD2 ARG 7 2HD ARG 7 -2.104 13.649 0.042 51 HD3 ARG 7 1HD ARG 7 -2.504 12.371 -1.112 52 HE ARG 7 HE ARG 7 -4.051 12.530 1.389 53 HH11 ARG 7 1HH1 ARG 7 -4.001 13.014 -2.089 54 HH12 ARG 7 2HH1 ARG 7 -5.708 13.266 -2.190 55 HH21 ARG 7 1HH2 ARG 7 -6.291 12.793 1.230 56 HH22 ARG 7 2HH2 ARG 7 -7.012 13.131 -0.314 57 H VAL 8 H VAL 8 -2.166 7.625 1.582 58 HA VAL 8 HA VAL 8 -2.554 5.769 -0.487 59 HB VAL 8 HB VAL 8 -1.939 5.324 2.475 60 HG11 VAL 8 1HG1 VAL 8 -2.750 3.210 1.502 61 HG12 VAL 8 2HG1 VAL 8 -1.018 3.110 1.827 62 HG13 VAL 8 3HG1 VAL 8 -1.598 3.353 0.175 63 HG21 VAL 8 3HG2 VAL 8 0.419 5.172 1.745 64 HG22 VAL 8 1HG2 VAL 8 -0.275 6.742 1.322 65 HG23 VAL 8 2HG2 VAL 8 -0.065 5.504 0.082 66 H ALA 9 H ALA 9 -4.456 6.484 2.357 67 HA ALA 9 HA ALA 9 -6.085 4.164 2.464 68 HB1 ALA 9 3HB ALA 9 -6.499 6.913 3.684 69 HB2 ALA 9 1HB ALA 9 -5.693 5.545 4.453 70 HB3 ALA 9 2HB ALA 9 -7.423 5.470 4.105 71 H THR 10 H THR 10 -6.583 7.476 1.210 72 HA THR 10 HA THR 10 -9.164 7.178 0.164 73 HB THR 10 HB THR 10 -6.868 8.998 -0.646 74 HG1 THR 10 HG1 THR 10 -8.742 10.416 0.414 75 HG21 THR 10 3HG2 THR 10 -9.767 9.224 -1.528 76 HG22 THR 10 1HG2 THR 10 -8.395 8.822 -2.570 77 HG23 THR 10 2HG2 THR 10 -8.499 10.417 -1.817 78 H ILE 11 H ILE 11 -5.984 6.519 -1.267 79 HA ILE 11 HA ILE 11 -6.774 5.937 -3.922 80 HB ILE 11 HB ILE 11 -4.384 4.989 -2.299 81 HG12 ILE 11 2HG1 ILE 11 -4.444 7.417 -2.635 82 HG13 ILE 11 1HG1 ILE 11 -3.121 6.721 -3.558 83 HG21 ILE 11 1HG2 ILE 11 -3.267 4.363 -4.438 84 HG22 ILE 11 2HG2 ILE 11 -4.774 4.668 -5.301 85 HG23 ILE 11 3HG2 ILE 11 -4.687 3.367 -4.115 86 HD11 ILE 11 3HD1 ILE 11 -4.478 6.886 -5.590 87 HD12 ILE 11 1HD1 ILE 11 -4.238 8.443 -4.805 88 HD13 ILE 11 2HD1 ILE 11 -5.781 7.611 -4.646 89 H ILE 12 H ILE 12 -6.193 3.767 -1.157 90 HA ILE 12 HA ILE 12 -6.893 1.333 -2.442 91 HB ILE 12 HB ILE 12 -6.743 2.091 0.503 92 HG12 ILE 12 2HG1 ILE 12 -4.814 0.617 -1.330 93 HG13 ILE 12 1HG1 ILE 12 -4.610 2.248 -0.712 94 HG21 ILE 12 1HG2 ILE 12 -6.702 -0.317 1.057 95 HG22 ILE 12 2HG2 ILE 12 -7.027 -0.718 -0.629 96 HG23 ILE 12 3HG2 ILE 12 -8.241 0.145 0.321 97 HD11 ILE 12 3HD1 ILE 12 -4.422 1.336 1.553 98 HD12 ILE 12 1HD1 ILE 12 -3.196 0.721 0.449 99 HD13 ILE 12 2HD1 ILE 12 -4.565 -0.295 0.890 100 H ALA 13 H ALA 13 -8.718 3.717 -0.609 101 HA ALA 13 HA ALA 13 -11.149 2.395 -0.241 102 HB1 ALA 13 3HB ALA 13 -12.153 4.624 0.001 103 HB2 ALA 13 1HB ALA 13 -10.721 5.367 -0.726 104 HB3 ALA 13 2HB ALA 13 -10.600 4.549 0.833 105 H GLU 14 H GLU 14 -10.119 4.481 -2.970 106 HA GLU 14 HA GLU 14 -12.580 4.134 -4.398 107 HB2 GLU 14 2HB GLU 14 -9.925 5.251 -5.380 108 HB3 GLU 14 1HB GLU 14 -11.478 5.408 -6.203 109 HG2 GLU 14 2HG GLU 14 -10.624 6.657 -3.578 110 HG3 GLU 14 1HG GLU 14 -11.031 7.475 -5.082 111 H THR 15 H THR 15 -9.270 2.867 -4.896 112 HA THR 15 HA THR 15 -9.742 1.630 -7.374 113 HB THR 15 HB THR 15 -7.599 0.815 -5.371 114 HG1 THR 15 HG1 THR 15 -6.678 2.681 -5.718 115 HG21 THR 15 3HG2 THR 15 -7.602 0.798 -8.412 116 HG22 THR 15 1HG2 THR 15 -7.727 -0.635 -7.382 117 HG23 THR 15 2HG2 THR 15 -6.249 0.332 -7.382 118 H CYS 16 H CYS 16 -9.662 0.280 -4.069 119 HA CYS 16 HA CYS 16 -10.621 -2.324 -4.979 120 HB2 CYS 16 2HB CYS 16 -8.735 -2.109 -3.342 121 HB3 CYS 16 1HB CYS 16 -9.854 -1.417 -2.171 122 HG CYS 16 HG CYS 16 -9.885 -4.581 -3.431 123 H ASP 17 H ASP 17 -12.183 0.466 -4.460 124 HA ASP 17 HA ASP 17 -14.288 1.136 -4.062 125 HB2 ASP 17 2HB ASP 17 -14.989 -1.817 -4.318 126 HB3 ASP 17 1HB ASP 17 -16.138 -0.484 -4.419 127 H ILE 18 H ILE 18 -12.603 0.247 -1.744 128 HA ILE 18 HA ILE 18 -14.381 -0.790 0.286 129 HB ILE 18 HB ILE 18 -11.610 0.489 0.541 130 HG12 ILE 18 2HG1 ILE 18 -12.387 -2.461 0.480 131 HG13 ILE 18 1HG1 ILE 18 -11.579 -1.585 -0.816 132 HG21 ILE 18 1HG2 ILE 18 -11.490 -0.599 2.788 133 HG22 ILE 18 2HG2 ILE 18 -13.174 -1.093 2.618 134 HG23 ILE 18 3HG2 ILE 18 -12.764 0.619 2.699 135 HD11 ILE 18 3HD1 ILE 18 -10.024 -2.959 0.432 136 HD12 ILE 18 1HD1 ILE 18 -10.432 -2.121 1.929 137 HD13 ILE 18 2HD1 ILE 18 -9.628 -1.252 0.617 138 HA PRO 19 HA PRO 19 -16.015 3.288 1.686 139 HB2 PRO 19 2HB PRO 19 -16.273 1.787 4.287 140 HB3 PRO 19 1HB PRO 19 -17.481 2.748 3.421 141 HG2 PRO 19 2HG PRO 19 -17.614 0.081 3.415 142 HG3 PRO 19 1HG PRO 19 -18.004 1.004 1.948 143 HD2 PRO 19 2HD PRO 19 -15.486 -0.516 2.624 144 HD3 PRO 19 1HD PRO 19 -16.363 -0.413 1.079 145 H ARG 20 H ARG 20 -14.536 4.848 2.117 146 HA ARG 20 HA ARG 20 -12.053 4.541 3.404 147 HB2 ARG 20 2HB ARG 20 -12.488 6.433 1.895 148 HB3 ARG 20 1HB ARG 20 -13.742 7.044 2.964 149 HG2 ARG 20 2HG ARG 20 -11.746 8.403 3.193 150 HG3 ARG 20 1HG ARG 20 -12.034 7.525 4.692 151 HD2 ARG 20 2HD ARG 20 -10.325 5.791 3.718 152 HD3 ARG 20 1HD ARG 20 -9.865 7.107 2.625 153 HE ARG 20 HE ARG 20 -9.562 7.025 5.557 154 HH11 ARG 20 1HH1 ARG 20 -8.882 8.776 2.558 155 HH12 ARG 20 2HH1 ARG 20 -7.763 9.853 3.325 156 HH21 ARG 20 1HH2 ARG 20 -8.094 8.467 6.510 157 HH22 ARG 20 2HH2 ARG 20 -7.345 9.701 5.545 158 H GLU 21 H GLU 21 -15.250 5.178 4.675 159 HA GLU 21 HA GLU 21 -14.720 6.175 7.230 160 HB2 GLU 21 2HB GLU 21 -16.987 5.414 7.820 161 HB3 GLU 21 1HB GLU 21 -16.967 6.147 6.219 162 HG2 GLU 21 2HG GLU 21 -16.960 3.914 5.185 163 HG3 GLU 21 1HG GLU 21 -16.969 3.165 6.779 164 H THR 22 H THR 22 -14.570 2.842 6.054 165 HA THR 22 HA THR 22 -14.319 1.682 8.736 166 HB THR 22 HB THR 22 -14.163 -0.501 7.466 167 HG1 THR 22 HG1 THR 22 -13.373 -0.015 5.503 168 HG21 THR 22 3HG2 THR 22 -16.538 1.222 6.664 169 HG22 THR 22 1HG2 THR 22 -16.398 0.309 8.169 170 HG23 THR 22 2HG2 THR 22 -16.480 -0.541 6.624 171 H ILE 23 H ILE 23 -12.257 2.893 6.274 172 HA ILE 23 HA ILE 23 -9.979 1.206 6.674 173 HB ILE 23 HB ILE 23 -10.379 3.847 5.224 174 HG12 ILE 23 2HG1 ILE 23 -9.809 1.004 4.258 175 HG13 ILE 23 1HG1 ILE 23 -11.344 1.860 4.136 176 HG21 ILE 23 1HG2 ILE 23 -7.765 2.325 5.456 177 HG22 ILE 23 2HG2 ILE 23 -8.094 3.942 6.069 178 HG23 ILE 23 3HG2 ILE 23 -8.068 3.649 4.331 179 HD11 ILE 23 3HD1 ILE 23 -10.225 1.785 2.008 180 HD12 ILE 23 1HD1 ILE 23 -8.788 2.546 2.685 181 HD13 ILE 23 2HD1 ILE 23 -10.302 3.449 2.578 182 H THR 24 H THR 24 -8.908 1.165 8.532 183 HA THR 24 HA THR 24 -8.209 3.664 9.980 184 HB THR 24 HB THR 24 -7.882 2.265 11.984 185 HG1 THR 24 HG1 THR 24 -8.699 0.039 10.400 186 HG21 THR 24 3HG2 THR 24 -10.198 3.039 11.577 187 HG22 THR 24 1HG2 THR 24 -10.182 1.472 12.391 188 HG23 THR 24 2HG2 THR 24 -10.528 1.566 10.664 189 HA PRO 25 HA PRO 25 -3.832 2.806 8.996 190 HB2 PRO 25 2HB PRO 25 -2.548 3.407 11.372 191 HB3 PRO 25 1HB PRO 25 -3.147 4.640 10.251 192 HG2 PRO 25 2HG PRO 25 -4.455 3.541 12.742 193 HG3 PRO 25 1HG PRO 25 -4.285 5.234 12.226 194 HD2 PRO 25 2HD PRO 25 -6.594 3.919 11.859 195 HD3 PRO 25 1HD PRO 25 -5.999 5.062 10.631 196 H GLU 26 H GLU 26 -5.412 1.334 11.716 197 HA GLU 26 HA GLU 26 -3.513 -0.692 12.388 198 HB2 GLU 26 2HB GLU 26 -6.509 -0.594 12.921 199 HB3 GLU 26 1HB GLU 26 -5.337 -1.606 13.763 200 HG2 GLU 26 2HG GLU 26 -4.335 0.317 14.816 201 HG3 GLU 26 1HG GLU 26 -5.299 1.426 13.836 202 H SER 27 H SER 27 -5.959 -0.321 9.957 203 HA SER 27 HA SER 27 -6.725 -2.992 9.486 204 HB2 SER 27 2HB SER 27 -6.681 -0.596 7.596 205 HB3 SER 27 1HB SER 27 -7.465 -2.138 7.234 206 HG SER 27 HG SER 27 -8.856 -1.799 8.959 207 H HIS 28 H HIS 28 -5.440 -4.598 8.885 208 HA HIS 28 HA HIS 28 -3.113 -4.291 7.146 209 HB2 HIS 28 2HB HIS 28 -3.232 -5.949 9.067 210 HB3 HIS 28 1HB HIS 28 -4.474 -6.826 8.179 211 HD2 HIS 28 HD2 HIS 28 -0.838 -7.039 8.731 212 HE1 HIS 28 HE1 HIS 28 -1.462 -8.744 4.924 213 HE2 HIS 28 HE2 HIS 28 -0.005 -8.766 6.992 214 H ALA 29 H ALA 29 -3.305 -4.415 4.920 215 HA ALA 29 HA ALA 29 -5.635 -4.382 3.491 216 HB1 ALA 29 3HB ALA 29 -3.008 -5.490 2.448 217 HB2 ALA 29 1HB ALA 29 -3.432 -3.782 2.538 218 HB3 ALA 29 2HB ALA 29 -4.340 -4.859 1.476 219 H ILE 30 H ILE 30 -3.602 -7.318 3.991 220 HA ILE 30 HA ILE 30 -5.530 -9.025 2.673 221 HB ILE 30 HB ILE 30 -3.118 -9.889 4.328 222 HG12 ILE 30 2HG1 ILE 30 -3.314 -9.383 1.324 223 HG13 ILE 30 1HG1 ILE 30 -2.414 -8.396 2.473 224 HG21 ILE 30 1HG2 ILE 30 -4.746 -11.707 3.984 225 HG22 ILE 30 2HG2 ILE 30 -3.273 -12.013 3.075 226 HG23 ILE 30 3HG2 ILE 30 -4.710 -11.428 2.242 227 HD11 ILE 30 3HD1 ILE 30 -0.923 -10.316 2.898 228 HD12 ILE 30 1HD1 ILE 30 -0.928 -9.802 1.211 229 HD13 ILE 30 2HD1 ILE 30 -1.815 -11.249 1.690 230 H ASP 31 H ASP 31 -4.341 -8.779 6.041 231 HA ASP 31 HA ASP 31 -5.912 -10.934 7.002 232 HB2 ASP 31 2HB ASP 31 -3.737 -10.181 7.994 233 HB3 ASP 31 1HB ASP 31 -4.537 -8.742 8.614 234 H ASP 32 H ASP 32 -6.332 -7.406 7.300 235 HA ASP 32 HA ASP 32 -8.735 -7.717 8.953 236 HB2 ASP 32 2HB ASP 32 -7.002 -6.079 9.621 237 HB3 ASP 32 1HB ASP 32 -7.216 -5.220 8.102 238 H LEU 33 H LEU 33 -7.828 -6.109 5.863 239 HA LEU 33 HA LEU 33 -10.549 -5.277 5.324 240 HB2 LEU 33 2HB LEU 33 -8.063 -5.103 3.570 241 HB3 LEU 33 1HB LEU 33 -9.605 -4.331 3.220 242 HG LEU 33 HG LEU 33 -7.765 -3.662 5.561 243 HD11 LEU 33 1HD1 LEU 33 -7.415 -1.515 4.433 244 HD12 LEU 33 2HD1 LEU 33 -8.394 -2.055 3.065 245 HD13 LEU 33 3HD1 LEU 33 -6.868 -2.864 3.440 246 HD21 LEU 33 3HD2 LEU 33 -10.415 -2.398 4.784 247 HD22 LEU 33 1HD2 LEU 33 -9.311 -1.790 6.023 248 HD23 LEU 33 2HD2 LEU 33 -10.086 -3.358 6.231 249 H GLY 34 H GLY 34 -8.269 -7.686 4.047 250 HA2 GLY 34 2HA GLY 34 -9.122 -9.875 3.390 251 HA3 GLY 34 1HA GLY 34 -10.509 -9.070 2.668 252 H ILE 35 H ILE 35 -8.078 -7.106 1.869 253 HA ILE 35 HA ILE 35 -8.044 -7.652 -0.881 254 HB ILE 35 HB ILE 35 -5.893 -6.164 0.700 255 HG12 ILE 35 2HG1 ILE 35 -8.379 -4.937 -0.572 256 HG13 ILE 35 1HG1 ILE 35 -8.225 -5.293 1.146 257 HG21 ILE 35 1HG2 ILE 35 -5.446 -4.935 -1.389 258 HG22 ILE 35 2HG2 ILE 35 -6.654 -5.902 -2.234 259 HG23 ILE 35 3HG2 ILE 35 -5.193 -6.667 -1.606 260 HD11 ILE 35 3HD1 ILE 35 -7.818 -2.949 0.689 261 HD12 ILE 35 1HD1 ILE 35 -6.503 -3.361 -0.408 262 HD13 ILE 35 2HD1 ILE 35 -6.362 -3.718 1.314 263 H ASP 36 H ASP 36 -7.156 -9.487 -1.818 264 HA ASP 36 HA ASP 36 -4.955 -10.937 -0.618 265 HB2 ASP 36 2HB ASP 36 -6.847 -12.009 -1.989 266 HB3 ASP 36 1HB ASP 36 -6.123 -11.308 -3.422 267 H SER 37 H SER 37 -2.869 -11.289 -1.760 268 HA SER 37 HA SER 37 -1.568 -9.020 -2.715 269 HB2 SER 37 2HB SER 37 0.223 -10.710 -3.447 270 HB3 SER 37 1HB SER 37 -0.257 -10.777 -1.755 271 HG SER 37 HG SER 37 -1.057 -12.499 -3.860 272 H LEU 38 H LEU 38 -3.698 -11.103 -4.463 273 HA LEU 38 HA LEU 38 -2.733 -10.407 -7.117 274 HB2 LEU 38 2HB LEU 38 -5.231 -11.877 -6.205 275 HB3 LEU 38 1HB LEU 38 -4.767 -11.658 -7.891 276 HG LEU 38 HG LEU 38 -3.220 -13.257 -5.799 277 HD11 LEU 38 1HD1 LEU 38 -5.263 -14.401 -6.500 278 HD12 LEU 38 2HD1 LEU 38 -3.839 -15.235 -7.113 279 HD13 LEU 38 3HD1 LEU 38 -4.807 -14.235 -8.199 280 HD21 LEU 38 3HD2 LEU 38 -2.589 -12.829 -8.742 281 HD22 LEU 38 1HD2 LEU 38 -1.748 -13.939 -7.653 282 HD23 LEU 38 2HD2 LEU 38 -1.675 -12.205 -7.364 283 H ASP 39 H ASP 39 -5.396 -9.523 -4.964 284 HA ASP 39 HA ASP 39 -6.709 -7.691 -6.749 285 HB2 ASP 39 2HB ASP 39 -7.852 -8.777 -4.771 286 HB3 ASP 39 1HB ASP 39 -6.847 -7.824 -3.691 287 H PHE 40 H PHE 40 -4.135 -7.505 -4.398 288 HA PHE 40 HA PHE 40 -3.994 -4.680 -4.139 289 HB2 PHE 40 2HB PHE 40 -3.029 -6.547 -2.555 290 HB3 PHE 40 1HB PHE 40 -1.621 -6.493 -3.603 291 HD1 PHE 40 HD1 PHE 40 -0.224 -4.396 -3.709 292 HD2 PHE 40 HD2 PHE 40 -3.487 -4.762 -0.982 293 HE1 PHE 40 HE1 PHE 40 0.610 -2.458 -2.453 294 HE2 PHE 40 HE2 PHE 40 -2.653 -2.820 0.267 295 HZ PHE 40 HZ PHE 40 -0.614 -1.667 -0.475 296 H LEU 41 H LEU 41 -2.937 -6.858 -6.629 297 HA LEU 41 HA LEU 41 -0.800 -5.398 -7.804 298 HB2 LEU 41 2HB LEU 41 -2.904 -7.215 -9.036 299 HB3 LEU 41 1HB LEU 41 -1.547 -6.569 -9.952 300 HG LEU 41 HG LEU 41 -1.237 -8.373 -7.508 301 HD11 LEU 41 1HD1 LEU 41 -1.072 -9.147 -10.442 302 HD12 LEU 41 2HD1 LEU 41 -2.350 -9.609 -9.314 303 HD13 LEU 41 3HD1 LEU 41 -0.707 -10.189 -9.065 304 HD21 LEU 41 3HD2 LEU 41 0.794 -7.540 -9.612 305 HD22 LEU 41 1HD2 LEU 41 1.083 -8.603 -8.234 306 HD23 LEU 41 2HD2 LEU 41 0.701 -6.904 -7.968 307 H ASP 42 H ASP 42 -4.313 -5.239 -8.190 308 HA ASP 42 HA ASP 42 -4.509 -3.194 -10.152 309 HB2 ASP 42 2HB ASP 42 -6.360 -4.720 -9.713 310 HB3 ASP 42 1HB ASP 42 -6.441 -4.229 -8.028 311 H ILE 43 H ILE 43 -4.515 -3.135 -6.597 312 HA ILE 43 HA ILE 43 -4.959 -0.341 -6.246 313 HB ILE 43 HB ILE 43 -3.641 -2.351 -4.371 314 HG12 ILE 43 2HG1 ILE 43 -6.539 -1.388 -4.553 315 HG13 ILE 43 1HG1 ILE 43 -5.949 -3.003 -4.947 316 HG21 ILE 43 1HG2 ILE 43 -4.133 -0.763 -2.544 317 HG22 ILE 43 2HG2 ILE 43 -4.745 0.409 -3.712 318 HG23 ILE 43 3HG2 ILE 43 -3.039 -0.046 -3.729 319 HD11 ILE 43 3HD1 ILE 43 -7.045 -3.016 -2.814 320 HD12 ILE 43 1HD1 ILE 43 -6.004 -1.724 -2.216 321 HD13 ILE 43 2HD1 ILE 43 -5.325 -3.311 -2.584 322 H ALA 44 H ALA 44 -2.065 -2.322 -6.500 323 HA ALA 44 HA ALA 44 -0.118 -0.405 -5.732 324 HB1 ALA 44 3HB ALA 44 1.533 -1.996 -6.642 325 HB2 ALA 44 1HB ALA 44 0.244 -2.902 -7.435 326 HB3 ALA 44 2HB ALA 44 0.323 -2.841 -5.672 327 H PHE 45 H PHE 45 -1.604 -1.316 -8.757 328 HA PHE 45 HA PHE 45 -0.072 0.211 -10.559 329 HB2 PHE 45 2HB PHE 45 -1.635 -1.608 -11.234 330 HB3 PHE 45 1HB PHE 45 -3.005 -0.606 -10.764 331 HD1 PHE 45 HD2 PHE 45 0.072 -0.292 -12.920 332 HD2 PHE 45 HD1 PHE 45 -4.129 0.430 -12.546 333 HE1 PHE 45 HE2 PHE 45 0.026 0.656 -15.182 334 HE2 PHE 45 HE1 PHE 45 -4.161 1.378 -14.817 335 HZ PHE 45 HZ PHE 45 -2.082 1.490 -16.138 336 H ALA 46 H ALA 46 -3.040 1.002 -8.739 337 HA ALA 46 HA ALA 46 -3.374 3.654 -9.739 338 HB1 ALA 46 3HB ALA 46 -5.200 2.420 -8.659 339 HB2 ALA 46 1HB ALA 46 -4.921 3.965 -7.851 340 HB3 ALA 46 2HB ALA 46 -4.339 2.465 -7.119 341 H ILE 47 H ILE 47 -1.519 2.297 -7.065 342 HA ILE 47 HA ILE 47 -0.786 4.749 -5.794 343 HB ILE 47 HB ILE 47 0.505 1.986 -5.709 344 HG12 ILE 47 2HG1 ILE 47 -1.184 3.406 -3.604 345 HG13 ILE 47 1HG1 ILE 47 -1.840 2.252 -4.757 346 HG21 ILE 47 1HG2 ILE 47 1.743 2.766 -3.689 347 HG22 ILE 47 2HG2 ILE 47 1.174 4.404 -3.986 348 HG23 ILE 47 3HG2 ILE 47 2.247 3.621 -5.148 349 HD11 ILE 47 3HD1 ILE 47 -1.474 1.283 -2.549 350 HD12 ILE 47 1HD1 ILE 47 0.251 1.624 -2.667 351 HD13 ILE 47 2HD1 ILE 47 -0.506 0.480 -3.780 352 H ASP 48 H ASP 48 0.756 2.708 -8.287 353 HA ASP 48 HA ASP 48 3.131 4.066 -8.760 354 HB2 ASP 48 2HB ASP 48 1.300 2.775 -10.837 355 HB3 ASP 48 1HB ASP 48 2.948 3.295 -11.168 356 H LYS 49 H LYS 49 -0.083 4.714 -10.119 357 HA LYS 49 HA LYS 49 0.778 6.797 -11.892 358 HB2 LYS 49 2HB LYS 49 -2.042 6.017 -11.025 359 HB3 LYS 49 1HB LYS 49 -1.639 7.061 -12.389 360 HG2 LYS 49 2HG LYS 49 -0.418 5.118 -13.417 361 HG3 LYS 49 1HG LYS 49 -1.008 4.108 -12.103 362 HD2 LYS 49 2HD LYS 49 -2.409 3.806 -14.086 363 HD3 LYS 49 1HD LYS 49 -3.346 4.574 -12.796 364 HE2 LYS 49 2HE LYS 49 -3.765 5.605 -15.026 365 HE3 LYS 49 1HE LYS 49 -3.105 6.758 -13.869 366 HZ1 LYS 49 3HZ LYS 49 -2.100 6.926 -16.080 367 HZ2 LYS 49 1HZ LYS 49 -1.509 5.345 -15.943 368 HZ3 LYS 49 2HZ LYS 49 -0.954 6.550 -14.898 369 H ALA 50 H ALA 50 -0.998 6.745 -8.806 370 HA ALA 50 HA ALA 50 -1.728 9.511 -8.814 371 HB1 ALA 50 3HB ALA 50 -3.040 7.823 -7.607 372 HB2 ALA 50 1HB ALA 50 -2.502 9.097 -6.510 373 HB3 ALA 50 2HB ALA 50 -1.686 7.528 -6.511 374 H PHE 51 H PHE 51 0.796 7.651 -7.146 375 HA PHE 51 HA PHE 51 1.899 10.041 -5.866 376 HB2 PHE 51 2HB PHE 51 2.644 7.096 -5.688 377 HB3 PHE 51 1HB PHE 51 3.436 8.369 -4.772 378 HD1 PHE 51 HD2 PHE 51 2.279 9.484 -2.888 379 HD2 PHE 51 HD1 PHE 51 0.365 6.348 -5.078 380 HE1 PHE 51 HE2 PHE 51 0.600 9.247 -1.102 381 HE2 PHE 51 HE1 PHE 51 -1.303 6.119 -3.288 382 HZ PHE 51 HZ PHE 51 -1.188 7.563 -1.299 383 H GLY 52 H GLY 52 2.380 8.364 -8.798 384 HA2 GLY 52 2HA GLY 52 3.836 8.721 -10.537 385 HA3 GLY 52 1HA GLY 52 4.518 10.062 -9.633 386 H ILE 53 H ILE 53 4.368 6.755 -8.446 387 HA ILE 53 HA ILE 53 7.334 6.563 -8.485 388 HB ILE 53 HB ILE 53 7.203 5.331 -6.339 389 HG12 ILE 53 2HG1 ILE 53 4.222 6.053 -6.337 390 HG13 ILE 53 1HG1 ILE 53 4.865 4.439 -6.600 391 HG21 ILE 53 1HG2 ILE 53 6.719 7.255 -4.875 392 HG22 ILE 53 2HG2 ILE 53 5.902 8.074 -6.209 393 HG23 ILE 53 3HG2 ILE 53 7.634 7.745 -6.305 394 HD11 ILE 53 3HD1 ILE 53 5.740 4.404 -4.327 395 HD12 ILE 53 1HD1 ILE 53 4.004 4.712 -4.350 396 HD13 ILE 53 2HD1 ILE 53 5.128 6.038 -4.057 397 H LYS 54 H LYS 54 8.031 4.199 -8.065 398 HA LYS 54 HA LYS 54 6.292 2.285 -9.520 399 HB2 LYS 54 2HB LYS 54 8.481 2.916 -10.669 400 HB3 LYS 54 1HB LYS 54 9.347 2.211 -9.309 401 HG2 LYS 54 2HG LYS 54 8.365 0.009 -9.804 402 HG3 LYS 54 1HG LYS 54 7.433 0.711 -11.132 403 HD2 LYS 54 2HD LYS 54 9.700 1.372 -12.158 404 HD3 LYS 54 1HD LYS 54 10.442 0.335 -10.934 405 HE2 LYS 54 2HE LYS 54 8.441 -0.564 -13.051 406 HE3 LYS 54 1HE LYS 54 10.182 -0.853 -13.074 407 HZ1 LYS 54 3HZ LYS 54 9.972 -2.205 -11.099 408 HZ2 LYS 54 1HZ LYS 54 8.934 -2.784 -12.294 409 HZ3 LYS 54 2HZ LYS 54 8.311 -1.892 -11.005 410 H LEU 55 H LEU 55 5.213 1.560 -7.680 411 HA LEU 55 HA LEU 55 6.572 0.568 -5.339 412 HB2 LEU 55 2HB LEU 55 4.303 1.581 -5.232 413 HB3 LEU 55 1HB LEU 55 3.661 0.281 -6.221 414 HG LEU 55 HG LEU 55 4.961 -0.379 -3.553 415 HD11 LEU 55 1HD1 LEU 55 2.803 -0.150 -2.400 416 HD12 LEU 55 2HD1 LEU 55 2.093 0.559 -3.853 417 HD13 LEU 55 3HD1 LEU 55 3.391 1.400 -3.000 418 HD21 LEU 55 3HD2 LEU 55 3.352 -2.256 -3.515 419 HD22 LEU 55 1HD2 LEU 55 4.345 -2.295 -4.971 420 HD23 LEU 55 2HD2 LEU 55 2.680 -1.722 -5.058 421 HA PRO 56 HA PRO 56 7.088 -3.421 -7.500 422 HB2 PRO 56 2HB PRO 56 9.247 -4.340 -6.178 423 HB3 PRO 56 1HB PRO 56 9.377 -2.964 -7.288 424 HG2 PRO 56 2HG PRO 56 9.310 -2.985 -4.284 425 HG3 PRO 56 1HG PRO 56 10.242 -1.943 -5.377 426 HD2 PRO 56 2HD PRO 56 7.786 -1.280 -4.118 427 HD3 PRO 56 1HD PRO 56 8.548 -0.386 -5.451 428 H LEU 57 H LEU 57 4.977 -4.091 -6.655 429 HA LEU 57 HA LEU 57 4.728 -5.327 -4.077 430 HB2 LEU 57 2HB LEU 57 2.752 -4.408 -5.281 431 HB3 LEU 57 1HB LEU 57 2.931 -5.653 -6.511 432 HG LEU 57 HG LEU 57 2.557 -7.401 -4.720 433 HD11 LEU 57 1HD1 LEU 57 1.581 -6.739 -2.566 434 HD12 LEU 57 2HD1 LEU 57 1.871 -5.041 -2.952 435 HD13 LEU 57 3HD1 LEU 57 3.233 -6.147 -2.751 436 HD21 LEU 57 3HD2 LEU 57 0.296 -5.425 -5.091 437 HD22 LEU 57 1HD2 LEU 57 0.135 -7.100 -4.556 438 HD23 LEU 57 2HD2 LEU 57 0.728 -6.747 -6.174 439 H GLU 58 H GLU 58 5.593 -6.424 -7.299 440 HA GLU 58 HA GLU 58 5.439 -9.210 -6.965 441 HB2 GLU 58 2HB GLU 58 7.077 -9.362 -8.805 442 HB3 GLU 58 1HB GLU 58 5.784 -8.220 -9.158 443 HG2 GLU 58 2HG GLU 58 7.259 -6.335 -8.678 444 HG3 GLU 58 1HG GLU 58 8.552 -7.428 -8.191 445 H LYS 59 H LYS 59 7.849 -6.910 -5.937 446 HA LYS 59 HA LYS 59 9.838 -8.718 -4.962 447 HB2 LYS 59 2HB LYS 59 10.279 -6.295 -5.454 448 HB3 LYS 59 1HB LYS 59 9.178 -5.836 -4.158 449 HG2 LYS 59 2HG LYS 59 10.763 -7.069 -2.567 450 HG3 LYS 59 1HG LYS 59 11.896 -7.163 -3.922 451 HD2 LYS 59 2HD LYS 59 11.914 -4.695 -4.084 452 HD3 LYS 59 1HD LYS 59 10.745 -4.590 -2.764 453 HE2 LYS 59 2HE LYS 59 12.417 -5.656 -1.245 454 HE3 LYS 59 1HE LYS 59 13.590 -5.656 -2.566 455 HZ1 LYS 59 3HZ LYS 59 12.344 -3.266 -1.318 456 HZ2 LYS 59 1HZ LYS 59 13.391 -3.230 -2.643 457 HZ3 LYS 59 2HZ LYS 59 13.947 -3.776 -1.141 458 H TRP 60 H TRP 60 7.189 -6.855 -3.464 459 HA TRP 60 HA TRP 60 7.753 -7.457 -0.779 460 HB2 TRP 60 2HB TRP 60 5.205 -6.448 -2.083 461 HB3 TRP 60 1HB TRP 60 5.452 -6.508 -0.340 462 HD1 TRP 60 HD1 TRP 60 8.675 -5.452 -1.767 463 HE1 TRP 60 HE1 TRP 60 8.933 -2.904 -1.662 464 HE3 TRP 60 HE3 TRP 60 3.833 -4.177 -0.763 465 HZ2 TRP 60 HZ2 TRP 60 7.339 -0.651 -1.202 466 HZ3 TRP 60 HZ3 TRP 60 3.284 -1.799 -0.495 467 HH2 TRP 60 HH2 TRP 60 5.000 -0.064 -0.707 468 H THR 61 H THR 61 5.169 -8.806 -2.865 469 HA THR 61 HA THR 61 4.086 -10.652 -1.129 470 HB THR 61 HB THR 61 4.340 -10.848 -4.171 471 HG1 THR 61 HG1 THR 61 2.519 -9.613 -4.235 472 HG21 THR 61 3HG2 THR 61 3.581 -13.002 -3.213 473 HG22 THR 61 1HG2 THR 61 2.252 -12.197 -4.055 474 HG23 THR 61 2HG2 THR 61 2.324 -12.170 -2.294 475 H GLN 62 H GLN 62 6.817 -11.044 -3.380 476 HA GLN 62 HA GLN 62 7.194 -13.843 -2.938 477 HB2 GLN 62 2HB GLN 62 7.928 -12.576 -5.017 478 HB3 GLN 62 1HB GLN 62 9.222 -11.863 -4.067 479 HG2 GLN 62 2HG GLN 62 10.134 -13.693 -5.328 480 HG3 GLN 62 1HG GLN 62 10.115 -14.159 -3.623 481 HE21 GLN 62 1HE2 GLN 62 8.795 -14.774 -6.785 482 HE22 GLN 62 2HE2 GLN 62 7.951 -16.228 -6.385 483 H GLU 63 H GLU 63 8.489 -10.906 -1.449 484 HA GLU 63 HA GLU 63 10.544 -12.014 0.141 485 HB2 GLU 63 2HB GLU 63 8.819 -9.531 0.542 486 HB3 GLU 63 1HB GLU 63 10.135 -9.958 1.642 487 HG2 GLU 63 2HG GLU 63 11.734 -9.821 -0.226 488 HG3 GLU 63 1HG GLU 63 10.421 -9.392 -1.323 489 H VAL 64 H VAL 64 7.071 -11.614 0.737 490 HA VAL 64 HA VAL 64 7.080 -12.627 3.401 491 HB VAL 64 HB VAL 64 4.777 -12.669 1.407 492 HG11 VAL 64 1HG1 VAL 64 4.429 -14.207 3.348 493 HG12 VAL 64 2HG1 VAL 64 3.299 -12.860 3.369 494 HG13 VAL 64 3HG1 VAL 64 4.685 -12.857 4.459 495 HG21 VAL 64 3HG2 VAL 64 5.649 -10.374 1.738 496 HG22 VAL 64 1HG2 VAL 64 5.474 -10.552 3.484 497 HG23 VAL 64 2HG2 VAL 64 4.043 -10.546 2.450 498 H ASN 65 H ASN 65 6.549 -14.133 0.238 499 HA ASN 65 HA ASN 65 5.921 -16.740 0.980 500 HB2 ASN 65 2HB ASN 65 7.444 -15.767 -1.470 501 HB3 ASN 65 1HB ASN 65 6.817 -17.405 -1.292 502 HD21 ASN 65 1HD2 ASN 65 6.177 -15.444 -3.303 503 HD22 ASN 65 2HD2 ASN 65 4.472 -15.180 -3.218 504 H ASP 66 H ASP 66 9.081 -15.198 0.896 505 HA ASP 66 HA ASP 66 10.439 -17.756 1.489 506 HB2 ASP 66 2HB ASP 66 11.240 -16.091 -0.368 507 HB3 ASP 66 1HB ASP 66 11.875 -15.130 0.957 508 H GLY 67 H GLY 67 9.201 -15.044 3.079 509 HA2 GLY 67 2HA GLY 67 9.308 -14.338 5.256 510 HA3 GLY 67 1HA GLY 67 10.433 -15.640 5.602 511 H LYS 68 H LYS 68 11.274 -13.460 3.009 512 HA LYS 68 HA LYS 68 13.512 -12.244 4.260 513 HB2 LYS 68 2HB LYS 68 11.896 -10.993 2.000 514 HB3 LYS 68 1HB LYS 68 13.578 -10.674 2.408 515 HG2 LYS 68 2HG LYS 68 12.465 -13.245 1.230 516 HG3 LYS 68 1HG LYS 68 13.341 -11.986 0.354 517 HD2 LYS 68 2HD LYS 68 15.302 -12.472 1.984 518 HD3 LYS 68 1HD LYS 68 14.405 -13.929 2.429 519 HE2 LYS 68 2HE LYS 68 14.410 -14.581 -0.023 520 HE3 LYS 68 1HE LYS 68 15.477 -13.207 -0.329 521 HZ1 LYS 68 3HZ LYS 68 17.069 -14.199 1.229 522 HZ2 LYS 68 1HZ LYS 68 16.745 -15.214 -0.087 523 HZ3 LYS 68 2HZ LYS 68 16.048 -15.535 1.416 524 H ALA 69 H ALA 69 10.115 -11.527 4.188 525 HA ALA 69 HA ALA 69 10.214 -9.462 6.196 526 HB1 ALA 69 3HB ALA 69 9.331 -8.721 3.372 527 HB2 ALA 69 1HB ALA 69 10.746 -8.099 4.218 528 HB3 ALA 69 2HB ALA 69 9.131 -7.705 4.810 529 H THR 70 H THR 70 7.946 -8.673 6.641 530 HA THR 70 HA THR 70 6.070 -10.948 6.527 531 HB THR 70 HB THR 70 4.913 -9.732 8.424 532 HG1 THR 70 HG1 THR 70 7.034 -8.113 9.042 533 HG21 THR 70 3HG2 THR 70 6.568 -11.498 8.942 534 HG22 THR 70 1HG2 THR 70 6.612 -10.209 10.149 535 HG23 THR 70 2HG2 THR 70 7.868 -10.299 8.910 536 H THR 71 H THR 71 3.808 -10.572 6.083 537 HA THR 71 HA THR 71 3.052 -8.594 4.193 538 HB THR 71 HB THR 71 0.659 -9.186 4.812 539 HG1 THR 71 HG1 THR 71 0.640 -11.201 6.228 540 HG21 THR 71 3HG2 THR 71 0.678 -11.470 3.947 541 HG22 THR 71 1HG2 THR 71 2.403 -11.592 4.265 542 HG23 THR 71 2HG2 THR 71 1.816 -10.467 3.042 543 H GLU 72 H GLU 72 3.030 -8.726 7.697 544 HA GLU 72 HA GLU 72 1.493 -6.500 8.378 545 HB2 GLU 72 2HB GLU 72 2.369 -8.125 10.023 546 HB3 GLU 72 1HB GLU 72 4.018 -7.593 9.706 547 HG2 GLU 72 2HG GLU 72 3.403 -5.328 10.591 548 HG3 GLU 72 1HG GLU 72 1.808 -5.962 10.994 549 H GLN 73 H GLN 73 4.955 -6.701 7.551 550 HA GLN 73 HA GLN 73 5.760 -4.071 8.035 551 HB2 GLN 73 2HB GLN 73 7.340 -5.898 7.655 552 HB3 GLN 73 1HB GLN 73 6.786 -6.078 5.990 553 HG2 GLN 73 2HG GLN 73 7.683 -3.844 5.453 554 HG3 GLN 73 1HG GLN 73 8.215 -3.643 7.121 555 HE21 GLN 73 1HE2 GLN 73 9.245 -6.298 7.492 556 HE22 GLN 73 2HE2 GLN 73 10.655 -6.447 6.505 557 H TYR 74 H TYR 74 4.152 -5.432 5.228 558 HA TYR 74 HA TYR 74 4.378 -2.868 3.764 559 HB2 TYR 74 2HB TYR 74 3.607 -5.620 2.683 560 HB3 TYR 74 1HB TYR 74 3.869 -4.157 1.730 561 HD1 TYR 74 HD1 TYR 74 6.265 -2.967 2.434 562 HD2 TYR 74 HD2 TYR 74 5.408 -7.151 2.548 563 HE1 TYR 74 HE1 TYR 74 8.660 -3.446 2.323 564 HE2 TYR 74 HE2 TYR 74 7.821 -7.637 2.425 565 HH TYR 74 HH TYR 74 9.898 -6.575 1.759 566 H PHE 75 H PHE 75 1.962 -5.472 3.902 567 HA PHE 75 HA PHE 75 -0.060 -3.967 2.733 568 HB2 PHE 75 2HB PHE 75 -0.177 -6.568 4.288 569 HB3 PHE 75 1HB PHE 75 -1.531 -5.917 3.373 570 HD1 PHE 75 HD1 PHE 75 1.923 -7.293 3.060 571 HD2 PHE 75 HD2 PHE 75 -1.641 -6.177 0.979 572 HE1 PHE 75 HE1 PHE 75 2.766 -8.393 1.027 573 HE2 PHE 75 HE2 PHE 75 -0.794 -7.278 -1.056 574 HZ PHE 75 HZ PHE 75 1.410 -8.383 -1.033 575 H VAL 76 H VAL 76 0.615 -4.240 6.270 576 HA VAL 76 HA VAL 76 -1.857 -3.153 7.179 577 HB VAL 76 HB VAL 76 0.896 -2.671 8.418 578 HG11 VAL 76 1HG1 VAL 76 -0.337 -2.102 10.498 579 HG12 VAL 76 2HG1 VAL 76 -1.872 -2.260 9.638 580 HG13 VAL 76 3HG1 VAL 76 -0.734 -0.989 9.187 581 HG21 VAL 76 3HG2 VAL 76 -1.210 -4.738 9.145 582 HG22 VAL 76 1HG2 VAL 76 0.308 -4.464 10.013 583 HG23 VAL 76 2HG2 VAL 76 0.332 -5.067 8.354 584 H LEU 77 H LEU 77 -2.642 -1.031 7.055 585 HA LEU 77 HA LEU 77 -1.710 0.337 4.771 586 HB2 LEU 77 2HB LEU 77 -3.747 1.319 6.781 587 HB3 LEU 77 1HB LEU 77 -3.530 1.924 5.145 588 HG LEU 77 HG LEU 77 -4.626 -0.777 5.990 589 HD11 LEU 77 1HD1 LEU 77 -6.606 -0.096 4.726 590 HD12 LEU 77 2HD1 LEU 77 -5.856 1.462 4.379 591 HD13 LEU 77 3HD1 LEU 77 -6.242 1.017 6.043 592 HD21 LEU 77 3HD2 LEU 77 -3.153 -1.252 4.129 593 HD22 LEU 77 1HD2 LEU 77 -3.857 0.060 3.181 594 HD23 LEU 77 2HD2 LEU 77 -4.825 -1.359 3.588 595 H LYS 78 H LYS 78 -1.345 1.162 8.228 596 HA LYS 78 HA LYS 78 -0.073 3.679 7.818 597 HB2 LYS 78 2HB LYS 78 0.653 3.520 10.165 598 HB3 LYS 78 1HB LYS 78 -1.032 3.048 9.989 599 HG2 LYS 78 2HG LYS 78 -0.312 0.643 10.042 600 HG3 LYS 78 1HG LYS 78 1.329 1.193 10.391 601 HD2 LYS 78 2HD LYS 78 0.506 2.274 12.473 602 HD3 LYS 78 1HD LYS 78 -1.128 1.699 12.111 603 HE2 LYS 78 2HE LYS 78 -0.086 0.233 13.760 604 HE3 LYS 78 1HE LYS 78 -0.300 -0.647 12.247 605 HZ1 LYS 78 3HZ LYS 78 2.237 0.578 13.204 606 HZ2 LYS 78 1HZ LYS 78 2.045 -0.258 11.749 607 HZ3 LYS 78 2HZ LYS 78 1.867 -1.070 13.218 608 H ASN 79 H ASN 79 1.213 0.375 7.968 609 HA ASN 79 HA ASN 79 3.996 1.067 7.948 610 HB2 ASN 79 2HB ASN 79 2.569 -1.539 7.250 611 HB3 ASN 79 1HB ASN 79 4.317 -1.376 7.373 612 HD21 ASN 79 1HD2 ASN 79 4.357 -2.960 9.008 613 HD22 ASN 79 2HD2 ASN 79 3.849 -2.625 10.623 614 H LEU 80 H LEU 80 1.732 -0.066 5.513 615 HA LEU 80 HA LEU 80 3.076 0.119 3.148 616 HB2 LEU 80 2HB LEU 80 0.783 -0.772 3.481 617 HB3 LEU 80 1HB LEU 80 0.192 0.853 3.776 618 HG LEU 80 HG LEU 80 0.684 1.466 1.425 619 HD11 LEU 80 1HD1 LEU 80 2.577 -0.015 0.968 620 HD12 LEU 80 2HD1 LEU 80 1.305 -0.245 -0.225 621 HD13 LEU 80 3HD1 LEU 80 1.524 -1.428 1.064 622 HD21 LEU 80 3HD2 LEU 80 -1.013 -1.026 1.706 623 HD22 LEU 80 1HD2 LEU 80 -1.100 0.152 0.391 624 HD23 LEU 80 2HD2 LEU 80 -1.532 0.633 2.032 625 H ALA 81 H ALA 81 1.368 2.678 4.927 626 HA ALA 81 HA ALA 81 1.784 4.828 3.151 627 HB1 ALA 81 3HB ALA 81 0.187 4.931 5.021 628 HB2 ALA 81 1HB ALA 81 1.317 6.286 5.083 629 HB3 ALA 81 2HB ALA 81 1.522 4.911 6.177 630 H ALA 82 H ALA 82 3.845 3.415 5.649 631 HA ALA 82 HA ALA 82 5.904 5.408 5.595 632 HB1 ALA 82 3HB ALA 82 5.584 3.890 7.516 633 HB2 ALA 82 1HB ALA 82 7.225 3.764 6.868 634 HB3 ALA 82 2HB ALA 82 6.033 2.512 6.509 635 H ARG 83 H ARG 83 5.528 2.204 4.023 636 HA ARG 83 HA ARG 83 7.956 2.113 2.616 637 HB2 ARG 83 2HB ARG 83 5.285 0.864 1.830 638 HB3 ARG 83 1HB ARG 83 6.855 0.398 1.183 639 HG2 ARG 83 2HG ARG 83 5.909 0.045 4.049 640 HG3 ARG 83 1HG ARG 83 6.088 -1.225 2.837 641 HD2 ARG 83 2HD ARG 83 8.347 0.446 4.002 642 HD3 ARG 83 1HD ARG 83 7.961 -1.213 4.451 643 HE ARG 83 HE ARG 83 8.396 -1.601 1.889 644 HH11 ARG 83 1HH1 ARG 83 10.238 0.555 3.975 645 HH12 ARG 83 2HH1 ARG 83 11.715 0.328 3.097 646 HH21 ARG 83 1HH2 ARG 83 10.381 -1.915 0.783 647 HH22 ARG 83 2HH2 ARG 83 11.807 -1.088 1.324 648 H ILE 84 H ILE 84 4.796 3.355 1.628 649 HA ILE 84 HA ILE 84 5.526 4.107 -1.026 650 HB ILE 84 HB ILE 84 3.157 4.925 0.712 651 HG12 ILE 84 2HG1 ILE 84 3.334 2.994 -1.652 652 HG13 ILE 84 1HG1 ILE 84 3.280 2.514 0.041 653 HG21 ILE 84 1HG2 ILE 84 3.534 5.541 -2.244 654 HG22 ILE 84 2HG2 ILE 84 3.532 6.721 -0.932 655 HG23 ILE 84 3HG2 ILE 84 2.061 5.825 -1.311 656 HD11 ILE 84 3HD1 ILE 84 1.084 3.928 -1.469 657 HD12 ILE 84 1HD1 ILE 84 1.031 3.454 0.230 658 HD13 ILE 84 2HD1 ILE 84 1.135 2.223 -1.028 659 H ASP 85 H ASP 85 5.182 5.983 2.031 660 HA ASP 85 HA ASP 85 6.030 8.468 1.213 661 HB2 ASP 85 2HB ASP 85 5.273 7.970 3.528 662 HB3 ASP 85 1HB ASP 85 6.781 7.127 3.846 663 H GLU 86 H GLU 86 8.064 5.675 2.021 664 HA GLU 86 HA GLU 86 10.605 6.829 1.801 665 HB2 GLU 86 2HB GLU 86 10.180 4.576 2.718 666 HB3 GLU 86 1HB GLU 86 9.677 4.008 1.134 667 HG2 GLU 86 2HG GLU 86 11.970 4.364 0.280 668 HG3 GLU 86 1HG GLU 86 12.473 4.906 1.879 669 H LEU 87 H LEU 87 8.576 5.238 -0.630 670 HA LEU 87 HA LEU 87 10.377 5.473 -2.806 671 HB2 LEU 87 2HB LEU 87 7.374 5.010 -2.821 672 HB3 LEU 87 1HB LEU 87 8.439 4.778 -4.201 673 HG LEU 87 HG LEU 87 8.474 3.170 -1.615 674 HD11 LEU 87 1HD1 LEU 87 7.654 2.314 -4.405 675 HD12 LEU 87 2HD1 LEU 87 6.571 2.610 -3.041 676 HD13 LEU 87 3HD1 LEU 87 7.727 1.281 -2.972 677 HD21 LEU 87 3HD2 LEU 87 10.186 1.748 -2.685 678 HD22 LEU 87 1HD2 LEU 87 10.756 3.399 -2.447 679 HD23 LEU 87 2HD2 LEU 87 10.262 2.862 -4.054 680 H VAL 88 H VAL 88 7.692 7.578 -1.727 681 HA VAL 88 HA VAL 88 7.749 9.225 -4.102 682 HB VAL 88 HB VAL 88 6.097 10.663 -3.060 683 HG11 VAL 88 1HG1 VAL 88 4.282 9.064 -2.570 684 HG12 VAL 88 2HG1 VAL 88 5.465 7.764 -2.418 685 HG13 VAL 88 3HG1 VAL 88 5.232 8.567 -3.970 686 HG21 VAL 88 3HG2 VAL 88 7.001 10.845 -0.780 687 HG22 VAL 88 1HG2 VAL 88 6.562 9.170 -0.453 688 HG23 VAL 88 2HG2 VAL 88 5.303 10.375 -0.725 689 H ALA 89 H ALA 89 9.155 9.352 -0.881 690 HA ALA 89 HA ALA 89 10.084 12.042 -0.952 691 HB1 ALA 89 3HB ALA 89 9.879 10.789 1.155 692 HB2 ALA 89 1HB ALA 89 11.511 11.422 0.944 693 HB3 ALA 89 2HB ALA 89 11.181 9.711 0.652 694 H ALA 90 H ALA 90 11.315 9.059 -2.314 695 HA ALA 90 HA ALA 90 13.930 9.629 -2.890 696 HB1 ALA 90 3HB ALA 90 12.841 7.489 -3.430 697 HB2 ALA 90 1HB ALA 90 13.740 8.124 -4.809 698 HB3 ALA 90 2HB ALA 90 11.982 8.258 -4.763 699 H LYS 91 H LYS 91 11.141 10.556 -5.038 700 HA LYS 91 HA LYS 91 12.705 11.935 -6.959 701 HB2 LYS 91 2HB LYS 91 10.615 12.831 -7.843 702 HB3 LYS 91 1HB LYS 91 10.316 11.174 -7.333 703 HG2 LYS 91 2HG LYS 91 9.302 12.035 -5.239 704 HG3 LYS 91 1HG LYS 91 9.570 13.676 -5.790 705 HD2 LYS 91 2HD LYS 91 7.312 13.336 -6.257 706 HD3 LYS 91 1HD LYS 91 8.075 13.026 -7.815 707 HE2 LYS 91 2HE LYS 91 7.371 10.791 -5.887 708 HE3 LYS 91 1HE LYS 91 6.213 11.425 -7.057 709 HZ1 LYS 91 3HZ LYS 91 8.846 10.254 -7.732 710 HZ2 LYS 91 1HZ LYS 91 7.684 10.803 -8.828 711 HZ3 LYS 91 2HZ LYS 91 7.359 9.463 -7.854 712 H GLY 92 H GLY 92 11.081 13.054 -4.009 713 HA2 GLY 92 2HA GLY 92 11.682 15.807 -4.179 714 HA3 GLY 92 1HA GLY 92 11.252 14.923 -2.728 715 H ALA 93 H ALA 93 13.553 13.118 -2.941 716 HA ALA 93 HA ALA 93 15.426 14.696 -1.393 717 HB1 ALA 93 3HB ALA 93 15.631 11.812 -2.337 718 HB2 ALA 93 1HB ALA 93 14.956 12.348 -0.799 719 HB3 ALA 93 2HB ALA 93 16.675 12.582 -1.136 720 H LEU 94 H LEU 94 15.297 13.220 -4.590 721 HA LEU 94 HA LEU 94 17.892 14.048 -5.498 722 HB2 LEU 94 2HB LEU 94 15.411 13.357 -7.139 723 HB3 LEU 94 1HB LEU 94 17.066 13.403 -7.728 724 HG LEU 94 HG LEU 94 15.987 11.411 -5.694 725 HD11 LEU 94 1HD1 LEU 94 16.652 10.983 -8.620 726 HD12 LEU 94 2HD1 LEU 94 15.040 11.004 -7.901 727 HD13 LEU 94 3HD1 LEU 94 16.176 9.731 -7.468 728 HD21 LEU 94 3HD2 LEU 94 18.349 11.831 -5.289 729 HD22 LEU 94 1HD2 LEU 94 18.729 11.538 -6.991 730 HD23 LEU 94 2HD2 LEU 94 18.131 10.224 -5.973 731 H GLU 95 H GLU 95 14.640 15.357 -5.432 732 HA GLU 95 HA GLU 95 13.646 17.311 -5.800 733 HB2 GLU 95 2HB GLU 95 15.438 18.412 -4.582 734 HB3 GLU 95 1HB GLU 95 16.452 18.443 -6.015 735 HG2 GLU 95 2HG GLU 95 15.467 20.654 -5.469 736 HG3 GLU 95 1HG GLU 95 15.041 20.080 -7.082 737 H HIS 96 H HIS 96 16.404 17.390 -8.068 738 HA HIS 96 HA HIS 96 15.033 17.833 -10.473 739 HB2 HIS 96 2HB HIS 96 17.463 17.991 -10.361 740 HB3 HIS 96 1HB HIS 96 17.610 16.313 -9.856 741 HD1 HIS 96 HD1 HIS 96 17.666 14.543 -11.670 742 HD2 HIS 96 HD2 HIS 96 16.917 18.358 -13.143 743 HE1 HIS 96 HE1 HIS 96 17.927 14.366 -14.162 744 HE2 HIS 96 HE2 HIS 96 17.349 16.654 -15.036 745 H HIS 97 H HIS 97 13.412 16.629 -11.264 746 HA HIS 97 HA HIS 97 12.795 13.957 -10.612 747 HB2 HIS 97 2HB HIS 97 11.116 14.063 -12.391 748 HB3 HIS 97 1HB HIS 97 11.111 15.553 -11.470 749 HD1 HIS 97 HD1 HIS 97 10.628 14.588 -14.760 750 HD2 HIS 97 HD2 HIS 97 13.004 17.518 -13.018 751 HE1 HIS 97 HE1 HIS 97 11.077 16.265 -16.582 752 HE2 HIS 97 HE2 HIS 97 12.647 17.936 -15.544 753 H HIS 98 H HIS 98 12.992 12.027 -11.856 754 HA HIS 98 HA HIS 98 15.507 11.938 -13.405 755 HB2 HIS 98 2HB HIS 98 15.688 9.584 -12.644 756 HB3 HIS 98 1HB HIS 98 15.562 10.693 -11.286 757 HD1 HIS 98 HD1 HIS 98 13.344 8.302 -13.265 758 HD2 HIS 98 HD2 HIS 98 13.633 10.017 -9.485 759 HE1 HIS 98 HE1 HIS 98 11.543 7.213 -11.894 760 HE2 HIS 98 HE2 HIS 98 11.663 8.351 -9.654 761 H HIS 99 H HIS 99 12.955 12.579 -14.699 762 HA HIS 99 HA HIS 99 12.093 10.225 -16.164 763 HB2 HIS 99 2HB HIS 99 10.528 12.104 -15.632 764 HB3 HIS 99 1HB HIS 99 11.429 13.148 -16.716 765 HD1 HIS 99 HD1 HIS 99 11.185 12.674 -19.298 766 HD2 HIS 99 HD2 HIS 99 8.729 10.362 -16.863 767 HE1 HIS 99 HE1 HIS 99 9.453 11.682 -20.831 768 HE2 HIS 99 HE2 HIS 99 7.913 10.383 -19.319 769 H HIS 100 H HIS 100 14.281 9.720 -16.778 770 HA HIS 100 HA HIS 100 14.721 10.187 -19.561 771 HB2 HIS 100 2HB HIS 100 17.118 10.910 -19.361 772 HB3 HIS 100 1HB HIS 100 16.007 12.129 -18.764 773 HD1 HIS 100 HD1 HIS 100 15.975 12.569 -16.186 774 HD2 HIS 100 HD2 HIS 100 18.904 9.899 -17.458 775 HE1 HIS 100 HE1 HIS 100 17.563 12.319 -14.243 776 HE2 HIS 100 HE2 HIS 100 19.244 10.614 -14.995 777 H HIS 101 H HIS 101 14.138 8.198 -17.389 778 HA HIS 101 HA HIS 101 16.381 6.311 -17.437 779 HB2 HIS 101 2HB HIS 101 15.225 6.862 -15.262 780 HB3 HIS 101 1HB HIS 101 13.720 6.231 -15.916 781 HD1 HIS 101 HD1 HIS 101 13.467 3.665 -16.025 782 HD2 HIS 101 HD2 HIS 101 17.093 4.942 -14.448 783 HE1 HIS 101 HE1 HIS 101 14.477 1.638 -14.937 784 HE2 HIS 101 HE2 HIS 101 16.634 2.453 -13.906 Start of MODEL 17 1 H1 MET 1 1H MET 1 -2.353 19.790 6.913 2 H2 MET 1 2H MET 1 -2.133 18.144 7.257 3 H3 MET 1 3H MET 1 -3.689 18.799 7.194 4 HA MET 1 HA MET 1 -3.552 19.180 4.884 5 HB2 MET 1 2HB MET 1 -1.558 18.562 3.578 6 HB3 MET 1 1HB MET 1 -1.139 19.757 4.799 7 HG2 MET 1 2HG MET 1 -0.131 18.032 6.193 8 HG3 MET 1 1HG MET 1 -0.645 16.778 5.066 9 HE1 MET 1 3HE MET 1 1.584 17.535 1.918 10 HE2 MET 1 1HE MET 1 -0.081 18.022 2.219 11 HE3 MET 1 2HE MET 1 0.454 16.394 2.648 12 H THR 2 H THR 2 -3.646 17.409 3.206 13 HA THR 2 HA THR 2 -4.278 14.792 4.310 14 HB THR 2 HB THR 2 -5.695 15.490 2.500 15 HG1 THR 2 HG1 THR 2 -5.544 13.415 2.142 16 HG21 THR 2 3HG2 THR 2 -4.262 17.133 1.365 17 HG22 THR 2 1HG2 THR 2 -4.926 15.974 0.203 18 HG23 THR 2 2HG2 THR 2 -3.250 15.833 0.736 19 H SER 3 H SER 3 -2.804 13.199 4.551 20 HA SER 3 HA SER 3 -0.017 13.728 3.817 21 HB2 SER 3 2HB SER 3 -0.666 13.233 6.193 22 HB3 SER 3 1HB SER 3 -1.192 11.626 5.702 23 HG SER 3 HG SER 3 1.392 12.692 5.911 24 H THR 4 H THR 4 1.272 11.518 3.530 25 HA THR 4 HA THR 4 0.671 10.320 1.074 26 HB THR 4 HB THR 4 2.443 9.208 3.306 27 HG1 THR 4 HG1 THR 4 4.087 10.350 2.250 28 HG21 THR 4 3HG2 THR 4 1.923 7.488 1.592 29 HG22 THR 4 1HG2 THR 4 3.614 7.987 1.496 30 HG23 THR 4 2HG2 THR 4 2.450 8.590 0.319 31 H PHE 5 H PHE 5 0.031 9.209 4.398 32 HA PHE 5 HA PHE 5 -1.102 6.706 3.822 33 HB2 PHE 5 2HB PHE 5 -0.576 7.164 6.130 34 HB3 PHE 5 1HB PHE 5 -1.601 8.600 6.160 35 HD1 PHE 5 HD1 PHE 5 -1.821 4.871 5.628 36 HD2 PHE 5 HD2 PHE 5 -3.809 8.405 7.002 37 HE1 PHE 5 HE1 PHE 5 -3.766 3.527 6.294 38 HE2 PHE 5 HE2 PHE 5 -5.744 7.043 7.671 39 HZ PHE 5 HZ PHE 5 -5.729 4.606 7.308 40 H ASP 6 H ASP 6 -2.639 9.897 4.084 41 HA ASP 6 HA ASP 6 -5.318 9.114 3.709 42 HB2 ASP 6 2HB ASP 6 -3.935 11.749 3.045 43 HB3 ASP 6 1HB ASP 6 -5.685 11.521 3.018 44 H ARG 7 H ARG 7 -2.781 9.917 1.392 45 HA ARG 7 HA ARG 7 -4.375 9.838 -0.963 46 HB2 ARG 7 2HB ARG 7 -1.396 9.358 -0.608 47 HB3 ARG 7 1HB ARG 7 -2.198 9.551 -2.162 48 HG2 ARG 7 2HG ARG 7 -1.872 11.640 0.009 49 HG3 ARG 7 1HG ARG 7 -1.105 11.617 -1.579 50 HD2 ARG 7 2HD ARG 7 -3.585 11.680 -2.479 51 HD3 ARG 7 1HD ARG 7 -3.966 12.250 -0.855 52 HE ARG 7 HE ARG 7 -3.078 13.822 -2.922 53 HH11 ARG 7 1HH1 ARG 7 -1.944 13.327 0.392 54 HH12 ARG 7 2HH1 ARG 7 -1.287 14.924 0.499 55 HH21 ARG 7 1HH2 ARG 7 -2.240 15.886 -2.703 56 HH22 ARG 7 2HH2 ARG 7 -1.441 16.349 -1.236 57 H VAL 8 H VAL 8 -2.253 7.365 0.556 58 HA VAL 8 HA VAL 8 -2.758 5.209 -1.186 59 HB VAL 8 HB VAL 8 -2.148 5.107 1.815 60 HG11 VAL 8 1HG1 VAL 8 -1.288 2.817 1.399 61 HG12 VAL 8 2HG1 VAL 8 -1.834 2.913 -0.277 62 HG13 VAL 8 3HG1 VAL 8 -3.013 2.938 1.034 63 HG21 VAL 8 3HG2 VAL 8 0.208 4.830 1.148 64 HG22 VAL 8 1HG2 VAL 8 -0.437 6.354 0.537 65 HG23 VAL 8 2HG2 VAL 8 -0.240 4.983 -0.551 66 H ALA 9 H ALA 9 -4.485 6.440 1.569 67 HA ALA 9 HA ALA 9 -6.315 4.348 2.030 68 HB1 ALA 9 3HB ALA 9 -6.550 7.297 2.724 69 HB2 ALA 9 1HB ALA 9 -5.773 6.062 3.717 70 HB3 ALA 9 2HB ALA 9 -7.511 5.989 3.418 71 H THR 10 H THR 10 -6.633 7.440 0.197 72 HA THR 10 HA THR 10 -9.301 6.889 -0.669 73 HB THR 10 HB THR 10 -8.465 9.218 -0.447 74 HG1 THR 10 HG1 THR 10 -9.328 8.565 -3.092 75 HG21 THR 10 3HG2 THR 10 -6.203 8.994 -1.382 76 HG22 THR 10 1HG2 THR 10 -7.110 10.242 -2.242 77 HG23 THR 10 2HG2 THR 10 -6.876 8.654 -2.974 78 H ILE 11 H ILE 11 -6.128 6.109 -1.973 79 HA ILE 11 HA ILE 11 -6.849 5.178 -4.539 80 HB ILE 11 HB ILE 11 -4.731 4.149 -2.593 81 HG12 ILE 11 2HG1 ILE 11 -4.279 6.392 -3.542 82 HG13 ILE 11 1HG1 ILE 11 -3.102 5.222 -4.125 83 HG21 ILE 11 1HG2 ILE 11 -5.168 3.168 -5.437 84 HG22 ILE 11 2HG2 ILE 11 -5.331 2.223 -3.958 85 HG23 ILE 11 3HG2 ILE 11 -3.745 2.807 -4.454 86 HD11 ILE 11 3HD1 ILE 11 -4.294 5.100 -6.258 87 HD12 ILE 11 1HD1 ILE 11 -3.799 6.745 -5.867 88 HD13 ILE 11 2HD1 ILE 11 -5.481 6.267 -5.663 89 H ILE 12 H ILE 12 -6.694 3.423 -1.430 90 HA ILE 12 HA ILE 12 -7.688 0.957 -2.438 91 HB ILE 12 HB ILE 12 -7.448 1.984 0.424 92 HG12 ILE 12 2HG1 ILE 12 -5.592 0.181 -1.202 93 HG13 ILE 12 1HG1 ILE 12 -5.301 1.879 -0.852 94 HG21 ILE 12 1HG2 ILE 12 -7.546 -0.390 1.155 95 HG22 ILE 12 2HG2 ILE 12 -7.912 -0.878 -0.499 96 HG23 ILE 12 3HG2 ILE 12 -9.054 0.125 0.396 97 HD11 ILE 12 3HD1 ILE 12 -3.968 0.447 0.558 98 HD12 ILE 12 1HD1 ILE 12 -5.416 -0.354 1.169 99 HD13 ILE 12 2HD1 ILE 12 -5.128 1.351 1.531 100 H ALA 13 H ALA 13 -9.220 3.778 -1.039 101 HA ALA 13 HA ALA 13 -11.776 2.809 -0.453 102 HB1 ALA 13 3HB ALA 13 -10.955 4.993 0.328 103 HB2 ALA 13 1HB ALA 13 -12.495 5.159 -0.517 104 HB3 ALA 13 2HB ALA 13 -10.990 5.608 -1.325 105 H GLU 14 H GLU 14 -10.629 4.479 -3.414 106 HA GLU 14 HA GLU 14 -13.090 4.049 -4.822 107 HB2 GLU 14 2HB GLU 14 -10.390 4.922 -5.912 108 HB3 GLU 14 1HB GLU 14 -11.949 5.099 -6.719 109 HG2 GLU 14 2HG GLU 14 -11.026 6.521 -4.195 110 HG3 GLU 14 1HG GLU 14 -11.231 7.231 -5.792 111 H THR 15 H THR 15 -9.996 2.366 -4.679 112 HA THR 15 HA THR 15 -10.287 0.784 -7.033 113 HB THR 15 HB THR 15 -8.451 0.468 -4.615 114 HG1 THR 15 HG1 THR 15 -7.222 1.876 -5.614 115 HG21 THR 15 3HG2 THR 15 -8.226 -0.862 -7.343 116 HG22 THR 15 1HG2 THR 15 -8.604 -1.683 -5.826 117 HG23 THR 15 2HG2 THR 15 -7.021 -0.942 -6.058 118 H CYS 16 H CYS 16 -10.369 -0.111 -3.562 119 HA CYS 16 HA CYS 16 -11.594 -2.686 -4.203 120 HB2 CYS 16 2HB CYS 16 -10.387 -1.634 -1.619 121 HB3 CYS 16 1HB CYS 16 -10.894 -3.299 -1.916 122 HG CYS 16 HG CYS 16 -8.577 -4.048 -2.737 123 H ASP 17 H ASP 17 -12.856 0.273 -3.637 124 HA ASP 17 HA ASP 17 -14.750 1.163 -2.847 125 HB2 ASP 17 2HB ASP 17 -15.642 -1.652 -3.479 126 HB3 ASP 17 1HB ASP 17 -16.790 -0.499 -2.806 127 H ILE 18 H ILE 18 -12.912 0.356 -0.861 128 HA ILE 18 HA ILE 18 -14.539 -0.466 1.448 129 HB ILE 18 HB ILE 18 -11.546 0.143 1.250 130 HG12 ILE 18 2HG1 ILE 18 -12.987 -2.546 1.406 131 HG13 ILE 18 1HG1 ILE 18 -12.239 -1.880 -0.042 132 HG21 ILE 18 1HG2 ILE 18 -11.349 -0.894 3.489 133 HG22 ILE 18 2HG2 ILE 18 -13.100 -1.074 3.570 134 HG23 ILE 18 3HG2 ILE 18 -12.383 0.539 3.543 135 HD11 ILE 18 3HD1 ILE 18 -10.854 -3.580 0.960 136 HD12 ILE 18 1HD1 ILE 18 -10.805 -2.700 2.486 137 HD13 ILE 18 2HD1 ILE 18 -10.043 -2.018 1.044 138 HA PRO 19 HA PRO 19 -15.477 3.912 2.302 139 HB2 PRO 19 2HB PRO 19 -15.895 2.818 5.087 140 HB3 PRO 19 1HB PRO 19 -16.949 3.868 4.125 141 HG2 PRO 19 2HG PRO 19 -17.524 1.281 4.389 142 HG3 PRO 19 1HG PRO 19 -17.741 2.082 2.816 143 HD2 PRO 19 2HD PRO 19 -15.526 0.243 3.722 144 HD3 PRO 19 1HD PRO 19 -16.349 0.331 2.147 145 H ARG 20 H ARG 20 -14.216 5.602 2.949 146 HA ARG 20 HA ARG 20 -11.548 5.271 3.781 147 HB2 ARG 20 2HB ARG 20 -12.279 7.236 2.488 148 HB3 ARG 20 1HB ARG 20 -13.330 7.743 3.806 149 HG2 ARG 20 2HG ARG 20 -11.328 9.128 3.775 150 HG3 ARG 20 1HG ARG 20 -11.362 8.147 5.241 151 HD2 ARG 20 2HD ARG 20 -9.878 6.496 3.730 152 HD3 ARG 20 1HD ARG 20 -9.515 8.003 2.879 153 HE ARG 20 HE ARG 20 -8.826 7.298 5.646 154 HH11 ARG 20 1HH1 ARG 20 -8.605 9.728 3.098 155 HH12 ARG 20 2HH1 ARG 20 -7.360 10.622 3.914 156 HH21 ARG 20 1HH2 ARG 20 -7.193 8.471 6.679 157 HH22 ARG 20 2HH2 ARG 20 -6.559 9.907 5.923 158 H GLU 21 H GLU 21 -14.492 5.908 5.610 159 HA GLU 21 HA GLU 21 -13.373 6.512 8.147 160 HB2 GLU 21 2HB GLU 21 -15.652 5.996 9.042 161 HB3 GLU 21 1HB GLU 21 -15.686 7.083 7.654 162 HG2 GLU 21 2HG GLU 21 -16.329 5.222 6.187 163 HG3 GLU 21 1HG GLU 21 -16.253 4.101 7.546 164 H THR 22 H THR 22 -13.965 3.441 6.516 165 HA THR 22 HA THR 22 -13.431 1.845 8.921 166 HB THR 22 HB THR 22 -13.850 -0.141 7.518 167 HG1 THR 22 HG1 THR 22 -13.021 1.136 5.511 168 HG21 THR 22 3HG2 THR 22 -15.927 2.025 7.029 169 HG22 THR 22 1HG2 THR 22 -15.821 0.999 8.467 170 HG23 THR 22 2HG2 THR 22 -16.211 0.289 6.901 171 H ILE 23 H ILE 23 -11.724 3.175 6.234 172 HA ILE 23 HA ILE 23 -9.411 1.469 6.326 173 HB ILE 23 HB ILE 23 -9.946 4.206 5.087 174 HG12 ILE 23 2HG1 ILE 23 -9.542 1.467 3.791 175 HG13 ILE 23 1HG1 ILE 23 -11.103 2.237 4.054 176 HG21 ILE 23 1HG2 ILE 23 -7.785 4.025 3.905 177 HG22 ILE 23 2HG2 ILE 23 -7.398 2.580 4.831 178 HG23 ILE 23 3HG2 ILE 23 -7.564 4.131 5.650 179 HD11 ILE 23 3HD1 ILE 23 -10.418 2.450 1.764 180 HD12 ILE 23 1HD1 ILE 23 -8.907 3.225 2.244 181 HD13 ILE 23 2HD1 ILE 23 -10.448 4.041 2.526 182 H THR 24 H THR 24 -7.841 1.549 7.792 183 HA THR 24 HA THR 24 -7.322 3.948 9.446 184 HB THR 24 HB THR 24 -7.028 2.351 11.441 185 HG1 THR 24 HG1 THR 24 -8.006 0.589 9.495 186 HG21 THR 24 3HG2 THR 24 -9.402 2.231 12.035 187 HG22 THR 24 1HG2 THR 24 -9.867 2.520 10.357 188 HG23 THR 24 2HG2 THR 24 -9.048 3.786 11.278 189 HA PRO 25 HA PRO 25 -2.972 2.834 8.782 190 HB2 PRO 25 2HB PRO 25 -2.529 3.464 11.696 191 HB3 PRO 25 1HB PRO 25 -1.701 4.098 10.266 192 HG2 PRO 25 2HG PRO 25 -3.468 5.614 11.561 193 HG3 PRO 25 1HG PRO 25 -3.417 5.621 9.782 194 HD2 PRO 25 2HD PRO 25 -5.341 4.177 11.617 195 HD3 PRO 25 1HD PRO 25 -5.673 5.092 10.125 196 H GLU 26 H GLU 26 -4.767 1.523 11.523 197 HA GLU 26 HA GLU 26 -2.825 -0.454 12.300 198 HB2 GLU 26 2HB GLU 26 -4.523 -1.235 13.891 199 HB3 GLU 26 1HB GLU 26 -4.382 0.520 13.952 200 HG2 GLU 26 2HG GLU 26 -6.425 0.733 12.585 201 HG3 GLU 26 1HG GLU 26 -6.567 -1.022 12.513 202 H SER 27 H SER 27 -5.505 -0.386 10.042 203 HA SER 27 HA SER 27 -6.108 -3.189 10.119 204 HB2 SER 27 2HB SER 27 -7.507 -2.657 8.058 205 HB3 SER 27 1HB SER 27 -7.886 -1.704 9.492 206 HG SER 27 HG SER 27 -5.992 -0.645 7.740 207 H HIS 28 H HIS 28 -4.772 -4.687 9.382 208 HA HIS 28 HA HIS 28 -2.940 -4.526 7.229 209 HB2 HIS 28 2HB HIS 28 -2.938 -6.267 9.079 210 HB3 HIS 28 1HB HIS 28 -4.326 -7.016 8.306 211 HD2 HIS 28 HD2 HIS 28 -0.591 -7.239 8.306 212 HE1 HIS 28 HE1 HIS 28 -1.844 -9.103 4.748 213 HE2 HIS 28 HE2 HIS 28 -0.020 -8.974 6.485 214 H ALA 29 H ALA 29 -3.347 -4.553 5.052 215 HA ALA 29 HA ALA 29 -5.768 -4.419 3.804 216 HB1 ALA 29 3HB ALA 29 -4.622 -4.978 1.713 217 HB2 ALA 29 1HB ALA 29 -3.253 -5.634 2.621 218 HB3 ALA 29 2HB ALA 29 -3.629 -3.912 2.706 219 H ILE 30 H ILE 30 -3.837 -7.462 4.043 220 HA ILE 30 HA ILE 30 -5.885 -9.013 2.753 221 HB ILE 30 HB ILE 30 -3.391 -9.982 4.215 222 HG12 ILE 30 2HG1 ILE 30 -3.907 -9.384 1.265 223 HG13 ILE 30 1HG1 ILE 30 -2.756 -8.576 2.324 224 HG21 ILE 30 1HG2 ILE 30 -5.077 -11.774 4.070 225 HG22 ILE 30 2HG2 ILE 30 -3.700 -12.125 3.029 226 HG23 ILE 30 3HG2 ILE 30 -5.207 -11.532 2.325 227 HD11 ILE 30 3HD1 ILE 30 -2.601 -11.394 1.263 228 HD12 ILE 30 1HD1 ILE 30 -1.478 -10.711 2.444 229 HD13 ILE 30 2HD1 ILE 30 -1.588 -10.019 0.828 230 H ASP 31 H ASP 31 -4.812 -8.653 6.134 231 HA ASP 31 HA ASP 31 -6.498 -10.781 7.111 232 HB2 ASP 31 2HB ASP 31 -4.345 -10.209 8.218 233 HB3 ASP 31 1HB ASP 31 -4.992 -8.634 8.650 234 H ASP 32 H ASP 32 -6.529 -7.237 7.786 235 HA ASP 32 HA ASP 32 -9.092 -7.404 9.104 236 HB2 ASP 32 2HB ASP 32 -7.344 -5.005 8.447 237 HB3 ASP 32 1HB ASP 32 -8.834 -4.907 9.373 238 H LEU 33 H LEU 33 -7.981 -5.808 6.078 239 HA LEU 33 HA LEU 33 -10.658 -4.885 5.427 240 HB2 LEU 33 2HB LEU 33 -8.118 -4.881 3.755 241 HB3 LEU 33 1HB LEU 33 -9.614 -4.071 3.316 242 HG LEU 33 HG LEU 33 -7.782 -3.364 5.646 243 HD11 LEU 33 1HD1 LEU 33 -7.415 -1.266 4.416 244 HD12 LEU 33 2HD1 LEU 33 -8.420 -1.853 3.089 245 HD13 LEU 33 3HD1 LEU 33 -6.903 -2.666 3.487 246 HD21 LEU 33 3HD2 LEU 33 -10.093 -2.993 6.353 247 HD22 LEU 33 1HD2 LEU 33 -10.431 -2.063 4.883 248 HD23 LEU 33 2HD2 LEU 33 -9.294 -1.451 6.085 249 H GLY 34 H GLY 34 -8.662 -7.652 4.631 250 HA2 GLY 34 2HA GLY 34 -9.322 -9.707 3.790 251 HA3 GLY 34 1HA GLY 34 -10.912 -9.053 3.435 252 H ILE 35 H ILE 35 -8.028 -7.483 2.295 253 HA ILE 35 HA ILE 35 -8.760 -7.785 -0.488 254 HB ILE 35 HB ILE 35 -6.299 -6.459 0.757 255 HG12 ILE 35 2HG1 ILE 35 -8.896 -5.153 -0.188 256 HG13 ILE 35 1HG1 ILE 35 -8.493 -5.461 1.499 257 HG21 ILE 35 1HG2 ILE 35 -7.415 -6.178 -2.064 258 HG22 ILE 35 2HG2 ILE 35 -5.931 -7.020 -1.618 259 HG23 ILE 35 3HG2 ILE 35 -6.047 -5.274 -1.404 260 HD11 ILE 35 3HD1 ILE 35 -8.105 -3.161 0.974 261 HD12 ILE 35 1HD1 ILE 35 -7.076 -3.592 -0.387 262 HD13 ILE 35 2HD1 ILE 35 -6.550 -3.940 1.261 263 H ASP 36 H ASP 36 -7.861 -9.231 -1.913 264 HA ASP 36 HA ASP 36 -5.829 -11.154 -0.983 265 HB2 ASP 36 2HB ASP 36 -7.932 -11.916 -2.165 266 HB3 ASP 36 1HB ASP 36 -7.389 -11.089 -3.618 267 H SER 37 H SER 37 -3.813 -11.504 -2.241 268 HA SER 37 HA SER 37 -2.519 -9.167 -3.049 269 HB2 SER 37 2HB SER 37 -1.742 -12.055 -3.561 270 HB3 SER 37 1HB SER 37 -0.671 -10.673 -3.800 271 HG SER 37 HG SER 37 -0.413 -10.498 -1.701 272 H LEU 38 H LEU 38 -4.649 -11.130 -4.968 273 HA LEU 38 HA LEU 38 -3.562 -10.277 -7.538 274 HB2 LEU 38 2HB LEU 38 -6.245 -11.589 -6.945 275 HB3 LEU 38 1HB LEU 38 -5.492 -11.424 -8.525 276 HG LEU 38 HG LEU 38 -4.644 -13.247 -6.244 277 HD11 LEU 38 1HD1 LEU 38 -6.495 -14.081 -7.605 278 HD12 LEU 38 2HD1 LEU 38 -5.050 -15.057 -7.852 279 HD13 LEU 38 3HD1 LEU 38 -5.538 -13.882 -9.077 280 HD21 LEU 38 3HD2 LEU 38 -3.124 -12.728 -8.818 281 HD22 LEU 38 1HD2 LEU 38 -2.765 -14.000 -7.645 282 HD23 LEU 38 2HD2 LEU 38 -2.607 -12.309 -7.182 283 H ASP 39 H ASP 39 -6.083 -9.412 -5.300 284 HA ASP 39 HA ASP 39 -7.348 -7.361 -6.917 285 HB2 ASP 39 2HB ASP 39 -8.556 -8.722 -5.180 286 HB3 ASP 39 1HB ASP 39 -7.549 -7.996 -3.929 287 H PHE 40 H PHE 40 -4.757 -7.594 -4.610 288 HA PHE 40 HA PHE 40 -4.526 -4.824 -3.903 289 HB2 PHE 40 2HB PHE 40 -3.705 -6.907 -2.560 290 HB3 PHE 40 1HB PHE 40 -2.308 -6.892 -3.627 291 HD1 PHE 40 HD1 PHE 40 -0.702 -4.946 -3.536 292 HD2 PHE 40 HD2 PHE 40 -3.927 -5.291 -0.763 293 HE1 PHE 40 HE1 PHE 40 0.381 -3.296 -2.079 294 HE2 PHE 40 HE2 PHE 40 -2.838 -3.632 0.682 295 HZ PHE 40 HZ PHE 40 -0.695 -2.639 0.032 296 H LEU 41 H LEU 41 -3.472 -6.769 -6.580 297 HA LEU 41 HA LEU 41 -1.248 -5.361 -7.575 298 HB2 LEU 41 2HB LEU 41 -3.502 -6.726 -9.102 299 HB3 LEU 41 1HB LEU 41 -2.003 -6.186 -9.842 300 HG LEU 41 HG LEU 41 -2.169 -8.323 -7.673 301 HD11 LEU 41 1HD1 LEU 41 -3.258 -9.110 -9.733 302 HD12 LEU 41 2HD1 LEU 41 -1.753 -9.974 -9.428 303 HD13 LEU 41 3HD1 LEU 41 -1.814 -8.711 -10.663 304 HD21 LEU 41 3HD2 LEU 41 0.152 -8.804 -8.210 305 HD22 LEU 41 1HD2 LEU 41 -0.013 -7.110 -7.754 306 HD23 LEU 41 2HD2 LEU 41 0.165 -7.548 -9.450 307 H ASP 42 H ASP 42 -4.747 -4.797 -7.957 308 HA ASP 42 HA ASP 42 -4.653 -2.557 -9.706 309 HB2 ASP 42 2HB ASP 42 -6.812 -3.354 -7.692 310 HB3 ASP 42 1HB ASP 42 -7.013 -2.139 -8.955 311 H ILE 43 H ILE 43 -4.645 -2.834 -6.168 312 HA ILE 43 HA ILE 43 -4.803 -0.087 -5.479 313 HB ILE 43 HB ILE 43 -3.445 -2.405 -4.029 314 HG12 ILE 43 2HG1 ILE 43 -6.177 -1.110 -3.606 315 HG13 ILE 43 1HG1 ILE 43 -5.881 -2.688 -4.335 316 HG21 ILE 43 1HG2 ILE 43 -3.480 -1.040 -1.960 317 HG22 ILE 43 2HG2 ILE 43 -4.044 0.353 -2.886 318 HG23 ILE 43 3HG2 ILE 43 -2.446 -0.323 -3.197 319 HD11 ILE 43 3HD1 ILE 43 -6.640 -2.905 -2.058 320 HD12 ILE 43 1HD1 ILE 43 -5.301 -1.916 -1.477 321 HD13 ILE 43 2HD1 ILE 43 -4.988 -3.493 -2.208 322 H ALA 44 H ALA 44 -2.018 -2.231 -5.957 323 HA ALA 44 HA ALA 44 0.034 -0.399 -5.338 324 HB1 ALA 44 3HB ALA 44 0.346 -2.845 -5.287 325 HB2 ALA 44 1HB ALA 44 1.544 -2.079 -6.335 326 HB3 ALA 44 2HB ALA 44 0.157 -2.914 -7.040 327 H PHE 45 H PHE 45 -1.489 -1.345 -8.380 328 HA PHE 45 HA PHE 45 0.166 0.097 -10.169 329 HB2 PHE 45 2HB PHE 45 -1.278 -1.791 -10.883 330 HB3 PHE 45 1HB PHE 45 -2.719 -0.837 -10.540 331 HD1 PHE 45 HD2 PHE 45 0.472 -0.423 -12.504 332 HD2 PHE 45 HD1 PHE 45 -3.771 0.035 -12.440 333 HE1 PHE 45 HE2 PHE 45 0.528 0.427 -14.806 334 HE2 PHE 45 HE1 PHE 45 -3.712 0.881 -14.744 335 HZ PHE 45 HZ PHE 45 -1.562 1.082 -15.934 336 H ALA 46 H ALA 46 -2.852 0.936 -8.518 337 HA ALA 46 HA ALA 46 -3.260 3.464 -9.794 338 HB1 ALA 46 3HB ALA 46 -5.096 2.251 -8.697 339 HB2 ALA 46 1HB ALA 46 -4.916 3.865 -8.011 340 HB3 ALA 46 2HB ALA 46 -4.308 2.459 -7.131 341 H ILE 47 H ILE 47 -1.469 2.394 -6.971 342 HA ILE 47 HA ILE 47 -0.766 4.944 -5.889 343 HB ILE 47 HB ILE 47 0.370 2.143 -5.549 344 HG12 ILE 47 2HG1 ILE 47 -1.053 3.932 -3.529 345 HG13 ILE 47 1HG1 ILE 47 -1.900 2.785 -4.559 346 HG21 ILE 47 1HG2 ILE 47 1.796 2.974 -3.692 347 HG22 ILE 47 2HG2 ILE 47 1.377 4.629 -4.122 348 HG23 ILE 47 3HG2 ILE 47 2.294 3.632 -5.252 349 HD11 ILE 47 3HD1 ILE 47 -0.779 0.942 -3.509 350 HD12 ILE 47 1HD1 ILE 47 -1.516 1.972 -2.283 351 HD13 ILE 47 2HD1 ILE 47 0.222 2.043 -2.558 352 H ASP 48 H ASP 48 0.831 2.716 -8.174 353 HA ASP 48 HA ASP 48 3.231 4.044 -8.668 354 HB2 ASP 48 2HB ASP 48 1.467 2.341 -10.464 355 HB3 ASP 48 1HB ASP 48 2.946 3.052 -11.091 356 H LYS 49 H LYS 49 0.041 4.592 -10.044 357 HA LYS 49 HA LYS 49 0.852 6.603 -11.940 358 HB2 LYS 49 2HB LYS 49 -1.919 5.810 -10.953 359 HB3 LYS 49 1HB LYS 49 -1.599 6.844 -12.346 360 HG2 LYS 49 2HG LYS 49 -0.573 5.002 -13.548 361 HG3 LYS 49 1HG LYS 49 -0.650 3.968 -12.124 362 HD2 LYS 49 2HD LYS 49 -2.400 3.348 -13.703 363 HD3 LYS 49 1HD LYS 49 -3.120 4.003 -12.231 364 HE2 LYS 49 2HE LYS 49 -3.418 6.193 -13.394 365 HE3 LYS 49 1HE LYS 49 -2.767 5.469 -14.869 366 HZ1 LYS 49 3HZ LYS 49 -5.214 4.586 -13.441 367 HZ2 LYS 49 1HZ LYS 49 -4.605 3.908 -14.869 368 HZ3 LYS 49 2HZ LYS 49 -5.176 5.498 -14.866 369 H ALA 50 H ALA 50 -0.825 6.626 -8.794 370 HA ALA 50 HA ALA 50 -1.653 9.346 -8.847 371 HB1 ALA 50 3HB ALA 50 -2.770 7.645 -7.453 372 HB2 ALA 50 1HB ALA 50 -2.237 9.014 -6.474 373 HB3 ALA 50 2HB ALA 50 -1.327 7.501 -6.449 374 H PHE 51 H PHE 51 1.008 7.718 -7.133 375 HA PHE 51 HA PHE 51 2.097 10.221 -6.101 376 HB2 PHE 51 2HB PHE 51 3.106 7.356 -5.817 377 HB3 PHE 51 1HB PHE 51 3.759 8.754 -4.971 378 HD1 PHE 51 HD1 PHE 51 0.771 6.555 -5.262 379 HD2 PHE 51 HD2 PHE 51 2.710 9.594 -2.972 380 HE1 PHE 51 HE1 PHE 51 -0.799 6.167 -3.415 381 HE2 PHE 51 HE2 PHE 51 1.134 9.196 -1.130 382 HZ PHE 51 HZ PHE 51 -0.611 7.485 -1.349 383 H GLY 52 H GLY 52 2.629 8.013 -8.744 384 HA2 GLY 52 2HA GLY 52 3.928 8.238 -10.640 385 HA3 GLY 52 1HA GLY 52 4.545 9.764 -10.016 386 H ILE 53 H ILE 53 4.632 6.658 -8.392 387 HA ILE 53 HA ILE 53 7.612 6.589 -8.473 388 HB ILE 53 HB ILE 53 7.552 5.609 -6.192 389 HG12 ILE 53 2HG1 ILE 53 4.552 6.237 -6.272 390 HG13 ILE 53 1HG1 ILE 53 5.260 4.626 -6.293 391 HG21 ILE 53 1HG2 ILE 53 6.203 8.330 -6.334 392 HG22 ILE 53 2HG2 ILE 53 7.936 8.018 -6.398 393 HG23 ILE 53 3HG2 ILE 53 7.042 7.676 -4.918 394 HD11 ILE 53 3HD1 ILE 53 6.079 4.943 -4.040 395 HD12 ILE 53 1HD1 ILE 53 4.339 5.215 -4.120 396 HD13 ILE 53 2HD1 ILE 53 5.442 6.587 -4.016 397 H LYS 54 H LYS 54 8.395 4.301 -7.879 398 HA LYS 54 HA LYS 54 6.758 2.225 -9.182 399 HB2 LYS 54 2HB LYS 54 9.084 2.482 -10.012 400 HB3 LYS 54 1HB LYS 54 9.703 2.222 -8.387 401 HG2 LYS 54 2HG LYS 54 8.734 -0.090 -8.432 402 HG3 LYS 54 1HG LYS 54 8.237 0.185 -10.104 403 HD2 LYS 54 2HD LYS 54 11.098 0.202 -9.062 404 HD3 LYS 54 1HD LYS 54 10.343 -1.113 -9.965 405 HE2 LYS 54 2HE LYS 54 10.081 0.391 -11.916 406 HE3 LYS 54 1HE LYS 54 10.849 1.698 -11.013 407 HZ1 LYS 54 3HZ LYS 54 12.374 0.563 -12.515 408 HZ2 LYS 54 1HZ LYS 54 12.133 -0.888 -11.689 409 HZ3 LYS 54 2HZ LYS 54 12.865 0.416 -10.904 410 H LEU 55 H LEU 55 5.388 1.338 -7.671 411 HA LEU 55 HA LEU 55 6.433 0.460 -5.072 412 HB2 LEU 55 2HB LEU 55 4.139 1.534 -5.238 413 HB3 LEU 55 1HB LEU 55 3.597 0.155 -6.177 414 HG LEU 55 HG LEU 55 4.670 -0.149 -3.333 415 HD11 LEU 55 1HD1 LEU 55 2.803 1.400 -3.208 416 HD12 LEU 55 2HD1 LEU 55 2.364 -0.152 -2.503 417 HD13 LEU 55 3HD1 LEU 55 1.775 0.283 -4.112 418 HD21 LEU 55 3HD2 LEU 55 4.540 -2.275 -4.565 419 HD22 LEU 55 1HD2 LEU 55 2.839 -1.978 -4.936 420 HD23 LEU 55 2HD2 LEU 55 3.354 -2.236 -3.266 421 HA PRO 56 HA PRO 56 7.026 -3.429 -7.439 422 HB2 PRO 56 2HB PRO 56 9.209 -4.367 -6.164 423 HB3 PRO 56 1HB PRO 56 9.328 -3.010 -7.296 424 HG2 PRO 56 2HG PRO 56 9.299 -2.979 -4.290 425 HG3 PRO 56 1HG PRO 56 10.266 -2.001 -5.414 426 HD2 PRO 56 2HD PRO 56 7.894 -1.163 -4.157 427 HD3 PRO 56 1HD PRO 56 8.609 -0.408 -5.597 428 H LEU 57 H LEU 57 4.938 -4.001 -6.531 429 HA LEU 57 HA LEU 57 4.651 -5.254 -3.980 430 HB2 LEU 57 2HB LEU 57 2.709 -4.326 -5.201 431 HB3 LEU 57 1HB LEU 57 2.927 -5.518 -6.471 432 HG LEU 57 HG LEU 57 2.434 -7.341 -4.816 433 HD11 LEU 57 1HD1 LEU 57 1.815 -5.072 -2.898 434 HD12 LEU 57 2HD1 LEU 57 3.115 -6.259 -2.751 435 HD13 LEU 57 3HD1 LEU 57 1.437 -6.777 -2.632 436 HD21 LEU 57 3HD2 LEU 57 0.013 -6.969 -4.713 437 HD22 LEU 57 1HD2 LEU 57 0.663 -6.483 -6.275 438 HD23 LEU 57 2HD2 LEU 57 0.239 -5.258 -5.081 439 H GLU 58 H GLU 58 5.536 -6.319 -7.183 440 HA GLU 58 HA GLU 58 5.458 -9.102 -6.932 441 HB2 GLU 58 2HB GLU 58 7.117 -9.120 -8.760 442 HB3 GLU 58 1HB GLU 58 5.830 -7.963 -9.075 443 HG2 GLU 58 2HG GLU 58 7.280 -6.101 -8.460 444 HG3 GLU 58 1HG GLU 58 8.563 -7.211 -7.984 445 H LYS 59 H LYS 59 7.861 -6.758 -5.860 446 HA LYS 59 HA LYS 59 9.835 -8.669 -4.985 447 HB2 LYS 59 2HB LYS 59 10.673 -6.521 -5.658 448 HB3 LYS 59 1HB LYS 59 9.509 -5.664 -4.654 449 HG2 LYS 59 2HG LYS 59 10.674 -6.449 -2.619 450 HG3 LYS 59 1HG LYS 59 11.836 -7.320 -3.625 451 HD2 LYS 59 2HD LYS 59 12.680 -5.232 -4.543 452 HD3 LYS 59 1HD LYS 59 11.417 -4.310 -3.722 453 HE2 LYS 59 2HE LYS 59 13.628 -4.161 -2.580 454 HE3 LYS 59 1HE LYS 59 12.367 -4.843 -1.551 455 HZ1 LYS 59 3HZ LYS 59 14.450 -6.382 -3.003 456 HZ2 LYS 59 1HZ LYS 59 13.239 -7.053 -2.033 457 HZ3 LYS 59 2HZ LYS 59 14.422 -6.064 -1.344 458 H TRP 60 H TRP 60 7.351 -6.625 -3.435 459 HA TRP 60 HA TRP 60 8.169 -7.133 -0.755 460 HB2 TRP 60 2HB TRP 60 5.541 -6.044 -1.841 461 HB3 TRP 60 1HB TRP 60 5.973 -6.063 -0.132 462 HD1 TRP 60 HD1 TRP 60 9.105 -5.184 -1.797 463 HE1 TRP 60 HE1 TRP 60 9.440 -2.645 -1.905 464 HE3 TRP 60 HE3 TRP 60 4.367 -3.668 -0.600 465 HZ2 TRP 60 HZ2 TRP 60 7.950 -0.319 -1.520 466 HZ3 TRP 60 HZ3 TRP 60 3.918 -1.250 -0.475 467 HH2 TRP 60 HH2 TRP 60 5.678 0.392 -0.915 468 H THR 61 H THR 61 5.604 -8.556 -2.764 469 HA THR 61 HA THR 61 4.658 -10.475 -0.944 470 HB THR 61 HB THR 61 4.719 -10.585 -4.000 471 HG1 THR 61 HG1 THR 61 3.334 -8.993 -3.762 472 HG21 THR 61 3HG2 THR 61 4.204 -12.811 -3.033 473 HG22 THR 61 1HG2 THR 61 2.767 -12.113 -3.792 474 HG23 THR 61 2HG2 THR 61 2.938 -12.096 -2.036 475 H GLN 62 H GLN 62 7.418 -10.473 -3.174 476 HA GLN 62 HA GLN 62 8.105 -13.237 -3.011 477 HB2 GLN 62 2HB GLN 62 8.857 -11.620 -4.821 478 HB3 GLN 62 1HB GLN 62 9.933 -10.877 -3.652 479 HG2 GLN 62 2HG GLN 62 11.276 -12.313 -4.983 480 HG3 GLN 62 1HG GLN 62 11.093 -13.116 -3.427 481 HE21 GLN 62 1HE2 GLN 62 8.586 -13.082 -5.914 482 HE22 GLN 62 2HE2 GLN 62 8.707 -14.753 -6.306 483 H GLU 63 H GLU 63 9.039 -10.367 -1.147 484 HA GLU 63 HA GLU 63 11.025 -11.402 0.530 485 HB2 GLU 63 2HB GLU 63 8.868 -9.392 1.321 486 HB3 GLU 63 1HB GLU 63 10.407 -9.635 2.142 487 HG2 GLU 63 2HG GLU 63 9.999 -8.500 -0.640 488 HG3 GLU 63 1HG GLU 63 10.421 -7.594 0.808 489 H VAL 64 H VAL 64 7.489 -11.475 0.795 490 HA VAL 64 HA VAL 64 7.291 -12.808 3.301 491 HB VAL 64 HB VAL 64 5.281 -12.695 1.004 492 HG11 VAL 64 1HG1 VAL 64 3.540 -13.165 2.717 493 HG12 VAL 64 2HG1 VAL 64 4.798 -13.397 3.934 494 HG13 VAL 64 3HG1 VAL 64 4.688 -14.496 2.559 495 HG21 VAL 64 3HG2 VAL 64 5.947 -10.447 1.769 496 HG22 VAL 64 1HG2 VAL 64 5.536 -10.872 3.431 497 HG23 VAL 64 2HG2 VAL 64 4.271 -10.782 2.202 498 H ASN 65 H ASN 65 7.132 -13.921 -0.068 499 HA ASN 65 HA ASN 65 6.568 -16.632 0.307 500 HB2 ASN 65 2HB ASN 65 8.050 -15.300 -2.013 501 HB3 ASN 65 1HB ASN 65 7.398 -16.938 -2.052 502 HD21 ASN 65 1HD2 ASN 65 6.719 -14.695 -3.774 503 HD22 ASN 65 2HD2 ASN 65 5.018 -14.446 -3.589 504 H ASP 66 H ASP 66 9.637 -14.972 0.491 505 HA ASP 66 HA ASP 66 11.174 -17.487 0.670 506 HB2 ASP 66 2HB ASP 66 11.954 -14.580 0.236 507 HB3 ASP 66 1HB ASP 66 13.161 -15.784 0.689 508 H GLY 67 H GLY 67 9.625 -15.363 2.767 509 HA2 GLY 67 2HA GLY 67 9.621 -15.227 5.068 510 HA3 GLY 67 1HA GLY 67 10.900 -16.429 5.127 511 H LYS 68 H LYS 68 11.563 -13.777 3.108 512 HA LYS 68 HA LYS 68 13.678 -12.656 4.692 513 HB2 LYS 68 2HB LYS 68 12.307 -11.509 2.210 514 HB3 LYS 68 1HB LYS 68 13.885 -11.037 2.837 515 HG2 LYS 68 2HG LYS 68 13.218 -13.811 1.811 516 HG3 LYS 68 1HG LYS 68 13.936 -12.547 0.812 517 HD2 LYS 68 2HD LYS 68 15.211 -13.631 3.362 518 HD3 LYS 68 1HD LYS 68 15.572 -14.256 1.752 519 HE2 LYS 68 2HE LYS 68 16.397 -12.027 1.074 520 HE3 LYS 68 1HE LYS 68 16.035 -11.401 2.685 521 HZ1 LYS 68 3HZ LYS 68 17.638 -12.950 3.599 522 HZ2 LYS 68 1HZ LYS 68 18.362 -11.959 2.437 523 HZ3 LYS 68 2HZ LYS 68 17.971 -13.561 2.059 524 H ALA 69 H ALA 69 10.299 -12.097 4.399 525 HA ALA 69 HA ALA 69 10.235 -10.211 6.570 526 HB1 ALA 69 3HB ALA 69 10.636 -8.641 4.683 527 HB2 ALA 69 1HB ALA 69 9.033 -8.411 5.383 528 HB3 ALA 69 2HB ALA 69 9.214 -9.271 3.852 529 H THR 70 H THR 70 7.902 -9.639 7.046 530 HA THR 70 HA THR 70 6.097 -11.920 6.511 531 HB THR 70 HB THR 70 6.519 -11.522 8.922 532 HG1 THR 70 HG1 THR 70 4.503 -12.092 9.161 533 HG21 THR 70 3HG2 THR 70 5.320 -8.764 8.497 534 HG22 THR 70 1HG2 THR 70 7.008 -9.092 8.874 535 HG23 THR 70 2HG2 THR 70 5.750 -9.475 10.053 536 H THR 71 H THR 71 3.893 -11.470 6.171 537 HA THR 71 HA THR 71 3.340 -9.641 4.115 538 HB THR 71 HB THR 71 1.222 -10.922 5.907 539 HG1 THR 71 HG1 THR 71 1.429 -12.767 4.454 540 HG21 THR 71 3HG2 THR 71 -0.035 -11.111 3.794 541 HG22 THR 71 1HG2 THR 71 1.294 -10.348 2.927 542 HG23 THR 71 2HG2 THR 71 0.391 -9.435 4.141 543 H GLU 72 H GLU 72 3.010 -9.493 7.607 544 HA GLU 72 HA GLU 72 1.312 -7.262 7.896 545 HB2 GLU 72 2HB GLU 72 1.883 -8.906 9.700 546 HB3 GLU 72 1HB GLU 72 3.502 -8.222 9.786 547 HG2 GLU 72 2HG GLU 72 2.470 -6.026 10.439 548 HG3 GLU 72 1HG GLU 72 0.899 -6.821 10.464 549 H GLN 73 H GLN 73 4.799 -7.485 7.378 550 HA GLN 73 HA GLN 73 5.547 -4.926 8.306 551 HB2 GLN 73 2HB GLN 73 7.167 -6.775 8.020 552 HB3 GLN 73 1HB GLN 73 6.965 -6.701 6.271 553 HG2 GLN 73 2HG GLN 73 7.911 -4.388 6.291 554 HG3 GLN 73 1HG GLN 73 8.142 -4.519 8.035 555 HE21 GLN 73 1HE2 GLN 73 9.280 -5.552 4.899 556 HE22 GLN 73 2HE2 GLN 73 10.765 -6.242 5.442 557 H TYR 74 H TYR 74 4.264 -5.982 5.218 558 HA TYR 74 HA TYR 74 4.672 -3.275 4.082 559 HB2 TYR 74 2HB TYR 74 4.112 -5.913 2.657 560 HB3 TYR 74 1HB TYR 74 4.262 -4.347 1.858 561 HD1 TYR 74 HD1 TYR 74 6.508 -3.017 2.436 562 HD2 TYR 74 HD2 TYR 74 6.074 -7.260 2.752 563 HE1 TYR 74 HE1 TYR 74 8.942 -3.274 2.274 564 HE2 TYR 74 HE2 TYR 74 8.515 -7.514 2.586 565 HH TYR 74 HH TYR 74 10.450 -6.271 1.728 566 H PHE 75 H PHE 75 2.221 -5.872 3.995 567 HA PHE 75 HA PHE 75 0.275 -4.350 2.672 568 HB2 PHE 75 2HB PHE 75 0.061 -6.973 4.167 569 HB3 PHE 75 1HB PHE 75 -1.299 -6.275 3.298 570 HD1 PHE 75 HD1 PHE 75 2.241 -7.445 2.790 571 HD2 PHE 75 HD2 PHE 75 -1.579 -6.732 0.996 572 HE1 PHE 75 HE1 PHE 75 3.003 -8.540 0.723 573 HE2 PHE 75 HE2 PHE 75 -0.807 -7.826 -1.071 574 HZ PHE 75 HZ PHE 75 1.482 -8.730 -1.210 575 H VAL 76 H VAL 76 0.808 -4.463 6.186 576 HA VAL 76 HA VAL 76 -1.746 -3.418 6.922 577 HB VAL 76 HB VAL 76 0.893 -2.849 8.343 578 HG11 VAL 76 1HG1 VAL 76 -1.975 -2.604 9.356 579 HG12 VAL 76 2HG1 VAL 76 -0.884 -1.264 8.993 580 HG13 VAL 76 3HG1 VAL 76 -0.514 -2.357 10.325 581 HG21 VAL 76 3HG2 VAL 76 -1.147 -5.026 8.913 582 HG22 VAL 76 1HG2 VAL 76 0.294 -4.682 9.878 583 HG23 VAL 76 2HG2 VAL 76 0.456 -5.271 8.223 584 H LEU 77 H LEU 77 -2.514 -1.279 6.923 585 HA LEU 77 HA LEU 77 -1.663 0.137 4.647 586 HB2 LEU 77 2HB LEU 77 -3.533 1.131 6.809 587 HB3 LEU 77 1HB LEU 77 -3.369 1.811 5.197 588 HG LEU 77 HG LEU 77 -4.594 -0.841 5.994 589 HD11 LEU 77 1HD1 LEU 77 -6.553 -0.014 4.810 590 HD12 LEU 77 2HD1 LEU 77 -5.700 1.473 4.398 591 HD13 LEU 77 3HD1 LEU 77 -6.060 1.096 6.085 592 HD21 LEU 77 3HD2 LEU 77 -3.814 -0.037 3.176 593 HD22 LEU 77 1HD2 LEU 77 -4.866 -1.393 3.595 594 HD23 LEU 77 2HD2 LEU 77 -3.182 -1.396 4.109 595 H LYS 78 H LYS 78 -1.112 0.886 8.109 596 HA LYS 78 HA LYS 78 0.176 3.371 7.823 597 HB2 LYS 78 2HB LYS 78 1.296 2.904 9.992 598 HB3 LYS 78 1HB LYS 78 -0.408 2.471 10.040 599 HG2 LYS 78 2HG LYS 78 0.191 0.093 9.719 600 HG3 LYS 78 1HG LYS 78 1.899 0.530 9.712 601 HD2 LYS 78 2HD LYS 78 1.702 1.330 12.041 602 HD3 LYS 78 1HD LYS 78 -0.014 0.916 12.050 603 HE2 LYS 78 2HE LYS 78 0.575 -1.475 11.710 604 HE3 LYS 78 1HE LYS 78 2.287 -1.050 11.725 605 HZ1 LYS 78 3HZ LYS 78 2.035 -0.257 13.981 606 HZ2 LYS 78 1HZ LYS 78 1.553 -1.874 13.866 607 HZ3 LYS 78 2HZ LYS 78 0.393 -0.647 13.969 608 H ASN 79 H ASN 79 1.463 0.105 7.471 609 HA ASN 79 HA ASN 79 4.225 0.865 7.305 610 HB2 ASN 79 2HB ASN 79 2.816 -1.778 6.730 611 HB3 ASN 79 1HB ASN 79 4.565 -1.570 6.805 612 HD21 ASN 79 1HD2 ASN 79 2.779 -3.233 8.415 613 HD22 ASN 79 2HD2 ASN 79 3.079 -2.800 10.059 614 H LEU 80 H LEU 80 1.817 -0.404 5.030 615 HA LEU 80 HA LEU 80 3.066 -0.305 2.612 616 HB2 LEU 80 2HB LEU 80 0.776 -1.158 2.990 617 HB3 LEU 80 1HB LEU 80 0.205 0.463 3.330 618 HG LEU 80 HG LEU 80 0.678 1.093 0.941 619 HD11 LEU 80 1HD1 LEU 80 1.250 -1.864 0.544 620 HD12 LEU 80 2HD1 LEU 80 2.419 -0.546 0.414 621 HD13 LEU 80 3HD1 LEU 80 1.088 -0.654 -0.733 622 HD21 LEU 80 3HD2 LEU 80 -1.240 -1.245 1.301 623 HD22 LEU 80 1HD2 LEU 80 -1.274 -0.063 -0.012 624 HD23 LEU 80 2HD2 LEU 80 -1.593 0.453 1.640 625 H ALA 81 H ALA 81 1.320 2.316 4.238 626 HA ALA 81 HA ALA 81 1.808 4.354 2.302 627 HB1 ALA 81 3HB ALA 81 -0.124 4.429 3.822 628 HB2 ALA 81 1HB ALA 81 0.857 5.886 3.984 629 HB3 ALA 81 2HB ALA 81 0.955 4.614 5.207 630 H ALA 82 H ALA 82 3.582 3.175 5.067 631 HA ALA 82 HA ALA 82 5.359 5.407 5.374 632 HB1 ALA 82 3HB ALA 82 5.703 2.541 6.324 633 HB2 ALA 82 1HB ALA 82 4.926 3.839 7.235 634 HB3 ALA 82 2HB ALA 82 6.649 3.932 6.860 635 H ARG 83 H ARG 83 5.604 2.220 3.746 636 HA ARG 83 HA ARG 83 8.218 2.505 2.719 637 HB2 ARG 83 2HB ARG 83 5.933 0.921 1.454 638 HB3 ARG 83 1HB ARG 83 7.649 0.695 1.149 639 HG2 ARG 83 2HG ARG 83 6.132 0.036 3.692 640 HG3 ARG 83 1HG ARG 83 6.876 -1.094 2.556 641 HD2 ARG 83 2HD ARG 83 8.332 0.898 4.332 642 HD3 ARG 83 1HD ARG 83 8.243 -0.845 4.585 643 HE ARG 83 HE ARG 83 9.418 -0.930 2.269 644 HH11 ARG 83 1HH1 ARG 83 10.008 1.584 4.672 645 HH12 ARG 83 2HH1 ARG 83 11.651 1.832 4.176 646 HH21 ARG 83 1HH2 ARG 83 11.601 -0.625 1.696 647 HH22 ARG 83 2HH2 ARG 83 12.546 0.590 2.502 648 H ILE 84 H ILE 84 5.044 3.293 1.385 649 HA ILE 84 HA ILE 84 5.842 4.288 -1.151 650 HB ILE 84 HB ILE 84 3.370 4.818 0.553 651 HG12 ILE 84 2HG1 ILE 84 3.651 3.062 -1.926 652 HG13 ILE 84 1HG1 ILE 84 3.812 2.454 -0.284 653 HG21 ILE 84 1HG2 ILE 84 2.229 5.707 -1.442 654 HG22 ILE 84 2HG2 ILE 84 3.728 5.596 -2.361 655 HG23 ILE 84 3HG2 ILE 84 3.612 6.710 -1.002 656 HD11 ILE 84 3HD1 ILE 84 1.624 1.991 -1.172 657 HD12 ILE 84 1HD1 ILE 84 1.339 3.708 -1.456 658 HD13 ILE 84 2HD1 ILE 84 1.516 3.099 0.193 659 H ASP 85 H ASP 85 5.122 5.950 1.936 660 HA ASP 85 HA ASP 85 5.807 8.540 1.318 661 HB2 ASP 85 2HB ASP 85 4.851 7.786 3.516 662 HB3 ASP 85 1HB ASP 85 6.425 7.136 3.953 663 H GLU 86 H GLU 86 7.980 5.859 2.109 664 HA GLU 86 HA GLU 86 10.379 7.385 2.199 665 HB2 GLU 86 2HB GLU 86 10.126 5.120 3.218 666 HB3 GLU 86 1HB GLU 86 10.010 4.418 1.606 667 HG2 GLU 86 2HG GLU 86 12.306 5.166 1.111 668 HG3 GLU 86 1HG GLU 86 12.422 5.894 2.710 669 H LEU 87 H LEU 87 8.708 5.602 -0.383 670 HA LEU 87 HA LEU 87 10.600 5.980 -2.448 671 HB2 LEU 87 2HB LEU 87 7.596 5.534 -2.653 672 HB3 LEU 87 1HB LEU 87 8.722 5.395 -3.998 673 HG LEU 87 HG LEU 87 8.779 3.630 -1.515 674 HD11 LEU 87 1HD1 LEU 87 7.712 2.950 -4.265 675 HD12 LEU 87 2HD1 LEU 87 6.759 3.177 -2.799 676 HD13 LEU 87 3HD1 LEU 87 7.886 1.827 -2.911 677 HD21 LEU 87 3HD2 LEU 87 10.351 3.409 -4.104 678 HD22 LEU 87 1HD2 LEU 87 10.372 2.245 -2.777 679 HD23 LEU 87 2HD2 LEU 87 10.996 3.872 -2.525 680 H VAL 88 H VAL 88 7.832 7.991 -1.410 681 HA VAL 88 HA VAL 88 8.205 9.913 -3.565 682 HB VAL 88 HB VAL 88 6.396 11.205 -2.648 683 HG11 VAL 88 1HG1 VAL 88 4.549 9.545 -2.626 684 HG12 VAL 88 2HG1 VAL 88 5.730 8.246 -2.427 685 HG13 VAL 88 3HG1 VAL 88 5.731 9.217 -3.898 686 HG21 VAL 88 3HG2 VAL 88 6.450 9.462 -0.150 687 HG22 VAL 88 1HG2 VAL 88 5.235 10.696 -0.510 688 HG23 VAL 88 2HG2 VAL 88 6.917 11.156 -0.250 689 H ALA 89 H ALA 89 9.302 9.514 -0.274 690 HA ALA 89 HA ALA 89 10.307 12.152 0.183 691 HB1 ALA 89 3HB ALA 89 9.961 10.561 2.042 692 HB2 ALA 89 1HB ALA 89 11.631 11.127 1.997 693 HB3 ALA 89 2HB ALA 89 11.228 9.514 1.400 694 H ALA 90 H ALA 90 11.643 9.173 -1.187 695 HA ALA 90 HA ALA 90 14.279 9.779 -1.605 696 HB1 ALA 90 3HB ALA 90 12.462 8.239 -3.489 697 HB2 ALA 90 1HB ALA 90 13.265 7.583 -2.060 698 HB3 ALA 90 2HB ALA 90 14.223 8.136 -3.433 699 H LYS 91 H LYS 91 11.586 10.578 -3.839 700 HA LYS 91 HA LYS 91 13.266 11.857 -5.787 701 HB2 LYS 91 2HB LYS 91 11.162 12.510 -6.914 702 HB3 LYS 91 1HB LYS 91 11.174 10.799 -6.499 703 HG2 LYS 91 2HG LYS 91 9.693 11.185 -4.612 704 HG3 LYS 91 1HG LYS 91 9.773 12.933 -4.859 705 HD2 LYS 91 2HD LYS 91 8.657 12.658 -7.061 706 HD3 LYS 91 1HD LYS 91 8.554 10.915 -6.790 707 HE2 LYS 91 2HE LYS 91 7.081 11.277 -4.868 708 HE3 LYS 91 1HE LYS 91 7.252 13.027 -5.027 709 HZ1 LYS 91 3HZ LYS 91 6.061 11.240 -7.074 710 HZ2 LYS 91 1HZ LYS 91 6.155 12.924 -7.146 711 HZ3 LYS 91 2HZ LYS 91 5.178 12.182 -5.984 712 H GLY 92 H GLY 92 11.213 13.045 -3.114 713 HA2 GLY 92 2HA GLY 92 11.665 15.821 -3.484 714 HA3 GLY 92 1HA GLY 92 11.184 15.041 -1.985 715 H ALA 93 H ALA 93 13.624 13.334 -2.094 716 HA ALA 93 HA ALA 93 15.351 14.999 -0.471 717 HB1 ALA 93 3HB ALA 93 16.718 12.974 -0.204 718 HB2 ALA 93 1HB ALA 93 15.777 12.161 -1.463 719 HB3 ALA 93 2HB ALA 93 15.012 12.616 0.059 720 H LEU 94 H LEU 94 15.280 13.844 -3.768 721 HA LEU 94 HA LEU 94 17.850 14.446 -4.663 722 HB2 LEU 94 2HB LEU 94 15.250 14.750 -6.213 723 HB3 LEU 94 1HB LEU 94 16.856 14.650 -6.923 724 HG LEU 94 HG LEU 94 15.410 12.436 -5.418 725 HD11 LEU 94 1HD1 LEU 94 15.394 11.254 -7.552 726 HD12 LEU 94 2HD1 LEU 94 16.179 12.624 -8.342 727 HD13 LEU 94 3HD1 LEU 94 14.553 12.800 -7.675 728 HD21 LEU 94 3HD2 LEU 94 17.326 10.987 -5.963 729 HD22 LEU 94 1HD2 LEU 94 17.793 12.317 -4.904 730 HD23 LEU 94 2HD2 LEU 94 18.197 12.375 -6.620 731 H GLU 95 H GLU 95 15.326 16.690 -3.729 732 HA GLU 95 HA GLU 95 16.506 19.015 -4.915 733 HB2 GLU 95 2HB GLU 95 14.166 19.046 -4.093 734 HB3 GLU 95 1HB GLU 95 14.728 18.825 -2.442 735 HG2 GLU 95 2HG GLU 95 14.121 21.171 -2.931 736 HG3 GLU 95 1HG GLU 95 15.813 21.000 -2.462 737 H HIS 96 H HIS 96 18.458 19.698 -4.469 738 HA HIS 96 HA HIS 96 20.030 18.713 -2.282 739 HB2 HIS 96 2HB HIS 96 21.827 20.232 -3.312 740 HB3 HIS 96 1HB HIS 96 21.183 18.970 -4.353 741 HD1 HIS 96 HD1 HIS 96 20.127 19.656 -6.510 742 HD2 HIS 96 HD2 HIS 96 20.851 22.900 -4.023 743 HE1 HIS 96 HE1 HIS 96 19.708 21.686 -7.919 744 HE2 HIS 96 HE2 HIS 96 20.290 23.641 -6.439 745 H HIS 97 H HIS 97 20.832 19.756 -0.549 746 HA HIS 97 HA HIS 97 21.440 21.299 0.961 747 HB2 HIS 97 2HB HIS 97 21.926 22.689 -1.144 748 HB3 HIS 97 1HB HIS 97 20.384 23.483 -0.876 749 HD1 HIS 97 HD1 HIS 97 23.805 23.092 0.666 750 HD2 HIS 97 HD2 HIS 97 20.488 25.573 0.977 751 HE1 HIS 97 HE1 HIS 97 24.543 25.017 2.097 752 HE2 HIS 97 HE2 HIS 97 22.574 26.575 2.130 753 H HIS 98 H HIS 98 18.418 20.459 0.356 754 HA HIS 98 HA HIS 98 16.280 20.884 0.860 755 HB2 HIS 98 2HB HIS 98 15.757 20.883 3.307 756 HB3 HIS 98 1HB HIS 98 16.916 19.659 2.835 757 HD1 HIS 98 HD1 HIS 98 19.210 19.713 3.926 758 HD2 HIS 98 HD2 HIS 98 16.829 22.962 4.961 759 HE1 HIS 98 HE1 HIS 98 20.396 20.838 5.842 760 HE2 HIS 98 HE2 HIS 98 18.843 22.689 6.562 761 H HIS 99 H HIS 99 15.122 22.538 0.131 762 HA HIS 99 HA HIS 99 15.755 25.290 0.754 763 HB2 HIS 99 2HB HIS 99 13.544 24.070 -0.958 764 HB3 HIS 99 1HB HIS 99 13.789 25.803 -0.765 765 HD1 HIS 99 HD1 HIS 99 14.300 26.156 -3.233 766 HD2 HIS 99 HD2 HIS 99 16.882 23.457 -1.420 767 HE1 HIS 99 HE1 HIS 99 16.148 25.785 -4.888 768 HE2 HIS 99 HE2 HIS 99 17.533 23.936 -3.874 769 H HIS 100 H HIS 100 15.484 24.874 3.030 770 HA HIS 100 HA HIS 100 12.914 25.788 4.052 771 HB2 HIS 100 2HB HIS 100 12.645 23.350 4.291 772 HB3 HIS 100 1HB HIS 100 14.243 23.191 5.002 773 HD1 HIS 100 HD1 HIS 100 10.712 23.792 5.857 774 HD2 HIS 100 HD2 HIS 100 14.396 24.168 7.740 775 HE1 HIS 100 HE1 HIS 100 10.196 23.980 8.304 776 HE2 HIS 100 HE2 HIS 100 12.432 24.348 9.411 777 H HIS 101 H HIS 101 13.925 27.712 4.540 778 HA HIS 101 HA HIS 101 15.919 27.698 6.702 779 HB2 HIS 101 2HB HIS 101 16.229 29.229 4.074 780 HB3 HIS 101 1HB HIS 101 17.188 29.549 5.512 781 HD1 HIS 101 HD1 HIS 101 16.993 27.349 2.575 782 HD2 HIS 101 HD2 HIS 101 18.964 27.395 6.221 783 HE1 HIS 101 HE1 HIS 101 18.816 25.649 2.371 784 HE2 HIS 101 HE2 HIS 101 20.165 25.953 4.460 Start of MODEL 18 1 H1 MET 1 1H MET 1 2.881 18.486 5.300 2 H2 MET 1 2H MET 1 1.606 19.585 5.185 3 H3 MET 1 3H MET 1 3.134 20.005 4.596 4 HA MET 1 HA MET 1 1.694 19.468 2.778 5 HB2 MET 1 2HB MET 1 3.739 17.264 3.301 6 HB3 MET 1 1HB MET 1 3.027 17.619 1.734 7 HG2 MET 1 2HG MET 1 4.081 19.864 1.794 8 HG3 MET 1 1HG MET 1 4.837 19.443 3.330 9 HE1 MET 1 3HE MET 1 5.578 16.315 2.757 10 HE2 MET 1 1HE MET 1 6.643 17.454 3.576 11 HE3 MET 1 2HE MET 1 7.242 16.515 2.207 12 H THR 2 H THR 2 0.870 17.367 1.556 13 HA THR 2 HA THR 2 -1.278 16.232 3.036 14 HB THR 2 HB THR 2 -0.127 15.126 0.423 15 HG1 THR 2 HG1 THR 2 -1.280 17.551 0.920 16 HG21 THR 2 3HG2 THR 2 -2.980 15.139 1.492 17 HG22 THR 2 1HG2 THR 2 -1.907 13.737 1.485 18 HG23 THR 2 2HG2 THR 2 -2.449 14.443 -0.040 19 H SER 3 H SER 3 -1.073 14.669 4.567 20 HA SER 3 HA SER 3 1.203 13.066 4.989 21 HB2 SER 3 2HB SER 3 -1.646 12.426 5.869 22 HB3 SER 3 1HB SER 3 -0.152 11.825 6.594 23 HG SER 3 HG SER 3 -1.476 14.106 7.084 24 H THR 4 H THR 4 1.828 11.114 4.180 25 HA THR 4 HA THR 4 1.074 10.274 1.663 26 HB THR 4 HB THR 4 2.295 8.432 3.765 27 HG1 THR 4 HG1 THR 4 4.088 9.570 3.600 28 HG21 THR 4 3HG2 THR 4 3.446 7.409 1.826 29 HG22 THR 4 1HG2 THR 4 2.608 8.517 0.738 30 HG23 THR 4 2HG2 THR 4 1.694 7.307 1.642 31 H PHE 5 H PHE 5 -0.220 9.260 4.788 32 HA PHE 5 HA PHE 5 -1.550 6.908 3.903 33 HB2 PHE 5 2HB PHE 5 -0.966 7.158 6.265 34 HB3 PHE 5 1HB PHE 5 -2.003 8.575 6.415 35 HD1 PHE 5 HD1 PHE 5 -2.258 4.954 5.351 36 HD2 PHE 5 HD2 PHE 5 -4.157 8.234 7.351 37 HE1 PHE 5 HE1 PHE 5 -4.173 3.522 5.905 38 HE2 PHE 5 HE2 PHE 5 -6.066 6.779 7.904 39 HZ PHE 5 HZ PHE 5 -6.076 4.425 7.180 40 H ASP 6 H ASP 6 -2.566 10.305 4.020 41 HA ASP 6 HA ASP 6 -5.362 9.982 3.780 42 HB2 ASP 6 2HB ASP 6 -3.501 12.214 2.872 43 HB3 ASP 6 1HB ASP 6 -5.239 12.297 2.570 44 H ARG 7 H ARG 7 -2.867 10.308 1.269 45 HA ARG 7 HA ARG 7 -4.619 10.047 -0.970 46 HB2 ARG 7 2HB ARG 7 -1.615 9.632 -0.787 47 HB3 ARG 7 1HB ARG 7 -2.521 9.702 -2.296 48 HG2 ARG 7 2HG ARG 7 -2.288 11.957 -0.282 49 HG3 ARG 7 1HG ARG 7 -1.345 11.813 -1.764 50 HD2 ARG 7 2HD ARG 7 -3.547 11.871 -3.050 51 HD3 ARG 7 1HD ARG 7 -4.345 12.262 -1.517 52 HE ARG 7 HE ARG 7 -2.137 14.016 -2.132 53 HH11 ARG 7 1HH1 ARG 7 -5.582 13.565 -2.665 54 HH12 ARG 7 2HH1 ARG 7 -5.848 15.220 -3.101 55 HH21 ARG 7 1HH2 ARG 7 -2.500 16.183 -2.709 56 HH22 ARG 7 2HH2 ARG 7 -4.106 16.709 -3.111 57 H VAL 8 H VAL 8 -2.434 7.719 0.682 58 HA VAL 8 HA VAL 8 -2.862 5.454 -0.901 59 HB VAL 8 HB VAL 8 -2.224 5.598 2.093 60 HG11 VAL 8 1HG1 VAL 8 -1.915 3.212 0.217 61 HG12 VAL 8 2HG1 VAL 8 -3.082 3.347 1.537 62 HG13 VAL 8 3HG1 VAL 8 -1.357 3.291 1.894 63 HG21 VAL 8 3HG2 VAL 8 -0.372 5.252 -0.296 64 HG22 VAL 8 1HG2 VAL 8 0.110 5.273 1.403 65 HG23 VAL 8 2HG2 VAL 8 -0.569 6.721 0.662 66 H ALA 9 H ALA 9 -4.681 6.639 1.895 67 HA ALA 9 HA ALA 9 -6.450 4.445 2.230 68 HB1 ALA 9 3HB ALA 9 -6.058 6.084 4.023 69 HB2 ALA 9 1HB ALA 9 -7.779 5.991 3.640 70 HB3 ALA 9 2HB ALA 9 -6.812 7.347 3.050 71 H THR 10 H THR 10 -6.793 7.576 0.525 72 HA THR 10 HA THR 10 -9.328 7.310 -0.599 73 HB THR 10 HB THR 10 -6.830 8.630 -1.710 74 HG1 THR 10 HG1 THR 10 -9.018 9.992 -0.563 75 HG21 THR 10 3HG2 THR 10 -8.285 9.993 -3.150 76 HG22 THR 10 1HG2 THR 10 -9.691 9.059 -2.625 77 HG23 THR 10 2HG2 THR 10 -8.410 8.282 -3.562 78 H ILE 11 H ILE 11 -6.187 6.153 -1.855 79 HA ILE 11 HA ILE 11 -6.973 5.065 -4.322 80 HB ILE 11 HB ILE 11 -4.720 4.345 -2.407 81 HG12 ILE 11 2HG1 ILE 11 -4.542 6.586 -3.458 82 HG13 ILE 11 1HG1 ILE 11 -3.241 5.529 -3.987 83 HG21 ILE 11 1HG2 ILE 11 -5.141 2.309 -3.676 84 HG22 ILE 11 2HG2 ILE 11 -3.643 3.039 -4.245 85 HG23 ILE 11 3HG2 ILE 11 -5.116 3.203 -5.200 86 HD11 ILE 11 3HD1 ILE 11 -4.351 5.190 -6.107 87 HD12 ILE 11 1HD1 ILE 11 -4.120 6.905 -5.784 88 HD13 ILE 11 2HD1 ILE 11 -5.714 6.179 -5.578 89 H ILE 12 H ILE 12 -6.512 3.423 -1.177 90 HA ILE 12 HA ILE 12 -7.311 0.838 -1.967 91 HB ILE 12 HB ILE 12 -7.171 2.104 0.802 92 HG12 ILE 12 2HG1 ILE 12 -5.185 0.343 -0.707 93 HG13 ILE 12 1HG1 ILE 12 -5.023 2.072 -0.444 94 HG21 ILE 12 1HG2 ILE 12 -7.096 -0.181 1.749 95 HG22 ILE 12 2HG2 ILE 12 -7.389 -0.857 0.147 96 HG23 ILE 12 3HG2 ILE 12 -8.629 0.123 0.925 97 HD11 ILE 12 3HD1 ILE 12 -4.950 -0.067 1.674 98 HD12 ILE 12 1HD1 ILE 12 -4.839 1.670 1.969 99 HD13 ILE 12 2HD1 ILE 12 -3.586 0.851 1.038 100 H ALA 13 H ALA 13 -9.114 3.524 -0.627 101 HA ALA 13 HA ALA 13 -11.602 2.410 -0.110 102 HB1 ALA 13 3HB ALA 13 -11.017 4.734 0.484 103 HB2 ALA 13 1HB ALA 13 -12.528 4.685 -0.433 104 HB3 ALA 13 2HB ALA 13 -11.026 5.186 -1.221 105 H GLU 14 H GLU 14 -10.427 3.840 -3.158 106 HA GLU 14 HA GLU 14 -12.872 3.211 -4.576 107 HB2 GLU 14 2HB GLU 14 -10.288 4.538 -5.478 108 HB3 GLU 14 1HB GLU 14 -11.748 4.408 -6.462 109 HG2 GLU 14 2HG GLU 14 -12.995 5.741 -4.807 110 HG3 GLU 14 1HG GLU 14 -11.546 5.863 -3.806 111 H THR 15 H THR 15 -9.685 1.713 -4.303 112 HA THR 15 HA THR 15 -9.821 0.198 -6.738 113 HB THR 15 HB THR 15 -7.930 -1.136 -5.674 114 HG1 THR 15 HG1 THR 15 -7.874 -0.989 -3.576 115 HG21 THR 15 3HG2 THR 15 -6.254 0.700 -5.719 116 HG22 THR 15 1HG2 THR 15 -7.570 1.876 -5.759 117 HG23 THR 15 2HG2 THR 15 -7.349 0.746 -7.102 118 H CYS 16 H CYS 16 -10.014 -0.746 -3.295 119 HA CYS 16 HA CYS 16 -11.151 -3.348 -4.011 120 HB2 CYS 16 2HB CYS 16 -10.204 -2.336 -1.302 121 HB3 CYS 16 1HB CYS 16 -10.466 -4.012 -1.782 122 HG CYS 16 HG CYS 16 -8.258 -4.346 -3.196 123 H ASP 17 H ASP 17 -12.600 -0.506 -3.660 124 HA ASP 17 HA ASP 17 -14.719 0.170 -3.345 125 HB2 ASP 17 2HB ASP 17 -15.209 -2.080 -4.406 126 HB3 ASP 17 1HB ASP 17 -15.409 -2.753 -2.800 127 H ILE 18 H ILE 18 -12.774 -0.219 -1.031 128 HA ILE 18 HA ILE 18 -14.362 -0.896 1.286 129 HB ILE 18 HB ILE 18 -11.561 0.323 1.152 130 HG12 ILE 18 2HG1 ILE 18 -12.436 -2.588 1.402 131 HG13 ILE 18 1HG1 ILE 18 -11.657 -1.857 0.003 132 HG21 ILE 18 1HG2 ILE 18 -11.277 -0.477 3.476 133 HG22 ILE 18 2HG2 ILE 18 -12.946 -1.050 3.499 134 HG23 ILE 18 3HG2 ILE 18 -12.610 0.679 3.370 135 HD11 ILE 18 3HD1 ILE 18 -9.631 -1.508 1.338 136 HD12 ILE 18 1HD1 ILE 18 -10.102 -3.202 1.265 137 HD13 ILE 18 2HD1 ILE 18 -10.420 -2.265 2.722 138 HA PRO 19 HA PRO 19 -16.007 3.341 1.935 139 HB2 PRO 19 2HB PRO 19 -16.441 2.224 4.708 140 HB3 PRO 19 1HB PRO 19 -17.579 3.060 3.641 141 HG2 PRO 19 2HG PRO 19 -17.755 0.420 3.979 142 HG3 PRO 19 1HG PRO 19 -18.000 1.130 2.365 143 HD2 PRO 19 2HD PRO 19 -15.557 -0.253 3.488 144 HD3 PRO 19 1HD PRO 19 -16.304 -0.418 1.881 145 H ARG 20 H ARG 20 -14.755 5.072 2.369 146 HA ARG 20 HA ARG 20 -12.238 5.079 3.637 147 HB2 ARG 20 2HB ARG 20 -12.904 6.775 1.965 148 HB3 ARG 20 1HB ARG 20 -14.128 7.409 3.055 149 HG2 ARG 20 2HG ARG 20 -12.251 8.912 3.069 150 HG3 ARG 20 1HG ARG 20 -12.302 8.100 4.634 151 HD2 ARG 20 2HD ARG 20 -10.510 6.546 3.831 152 HD3 ARG 20 1HD ARG 20 -10.425 7.460 2.314 153 HE ARG 20 HE ARG 20 -9.760 8.548 5.005 154 HH11 ARG 20 1HH1 ARG 20 -9.304 8.599 1.521 155 HH12 ARG 20 2HH1 ARG 20 -8.010 9.751 1.587 156 HH21 ARG 20 1HH2 ARG 20 -8.054 10.077 5.068 157 HH22 ARG 20 2HH2 ARG 20 -7.325 10.602 3.588 158 H GLU 21 H GLU 21 -15.458 5.662 4.854 159 HA GLU 21 HA GLU 21 -14.978 6.843 7.350 160 HB2 GLU 21 2HB GLU 21 -17.258 6.094 7.924 161 HB3 GLU 21 1HB GLU 21 -17.189 6.703 6.273 162 HG2 GLU 21 2HG GLU 21 -16.967 4.279 5.514 163 HG3 GLU 21 1HG GLU 21 -17.369 3.808 7.161 164 H THR 22 H THR 22 -14.609 3.511 6.336 165 HA THR 22 HA THR 22 -14.227 2.567 9.115 166 HB THR 22 HB THR 22 -14.440 0.260 8.093 167 HG1 THR 22 HG1 THR 22 -13.953 1.302 5.866 168 HG21 THR 22 3HG2 THR 22 -16.885 0.361 7.716 169 HG22 THR 22 1HG2 THR 22 -16.800 2.117 7.578 170 HG23 THR 22 2HG2 THR 22 -16.421 1.332 9.114 171 H ILE 23 H ILE 23 -12.397 3.599 6.475 172 HA ILE 23 HA ILE 23 -10.188 1.772 6.635 173 HB ILE 23 HB ILE 23 -10.397 4.542 5.390 174 HG12 ILE 23 2HG1 ILE 23 -10.184 1.734 4.211 175 HG13 ILE 23 1HG1 ILE 23 -11.628 2.737 4.238 176 HG21 ILE 23 1HG2 ILE 23 -7.966 2.703 5.386 177 HG22 ILE 23 2HG2 ILE 23 -8.067 4.313 6.100 178 HG23 ILE 23 3HG2 ILE 23 -8.156 4.124 4.352 179 HD11 ILE 23 3HD1 ILE 23 -10.605 2.675 2.052 180 HD12 ILE 23 1HD1 ILE 23 -9.102 3.321 2.705 181 HD13 ILE 23 2HD1 ILE 23 -10.567 4.308 2.713 182 H THR 24 H THR 24 -8.865 1.572 8.233 183 HA THR 24 HA THR 24 -8.066 3.830 9.973 184 HB THR 24 HB THR 24 -7.904 2.112 11.854 185 HG1 THR 24 HG1 THR 24 -9.365 0.485 10.005 186 HG21 THR 24 3HG2 THR 24 -10.704 2.454 10.686 187 HG22 THR 24 1HG2 THR 24 -9.881 3.614 11.725 188 HG23 THR 24 2HG2 THR 24 -10.332 2.030 12.360 189 HA PRO 25 HA PRO 25 -3.959 2.752 8.529 190 HB2 PRO 25 2HB PRO 25 -2.445 3.686 10.666 191 HB3 PRO 25 1HB PRO 25 -3.157 4.734 9.432 192 HG2 PRO 25 2HG PRO 25 -4.224 4.015 12.161 193 HG3 PRO 25 1HG PRO 25 -4.106 5.619 11.403 194 HD2 PRO 25 2HD PRO 25 -6.433 4.317 11.424 195 HD3 PRO 25 1HD PRO 25 -5.933 5.212 9.969 196 H GLU 26 H GLU 26 -5.110 1.616 11.612 197 HA GLU 26 HA GLU 26 -2.957 -0.146 12.299 198 HB2 GLU 26 2HB GLU 26 -4.498 -0.908 14.085 199 HB3 GLU 26 1HB GLU 26 -4.409 0.848 13.994 200 HG2 GLU 26 2HG GLU 26 -6.551 0.875 12.729 201 HG3 GLU 26 1HG GLU 26 -6.654 -0.877 12.900 202 H SER 27 H SER 27 -5.644 -0.443 10.139 203 HA SER 27 HA SER 27 -6.106 -3.279 10.464 204 HB2 SER 27 2HB SER 27 -7.897 -1.679 9.723 205 HB3 SER 27 1HB SER 27 -7.029 -1.446 8.203 206 HG SER 27 HG SER 27 -7.609 -4.072 8.995 207 H HIS 28 H HIS 28 -5.488 -4.920 9.064 208 HA HIS 28 HA HIS 28 -3.301 -4.366 7.144 209 HB2 HIS 28 2HB HIS 28 -2.651 -5.834 9.004 210 HB3 HIS 28 1HB HIS 28 -4.013 -6.895 8.701 211 HD2 HIS 28 HD2 HIS 28 -0.357 -6.685 7.898 212 HE1 HIS 28 HE1 HIS 28 -2.025 -9.344 5.080 213 HE2 HIS 28 HE2 HIS 28 0.068 -8.685 6.333 214 H ALA 29 H ALA 29 -3.540 -4.943 5.075 215 HA ALA 29 HA ALA 29 -5.925 -4.973 3.759 216 HB1 ALA 29 3HB ALA 29 -3.742 -4.481 2.728 217 HB2 ALA 29 1HB ALA 29 -4.659 -5.644 1.765 218 HB3 ALA 29 2HB ALA 29 -3.327 -6.192 2.786 219 H ILE 30 H ILE 30 -3.880 -7.931 4.082 220 HA ILE 30 HA ILE 30 -5.935 -9.619 2.933 221 HB ILE 30 HB ILE 30 -3.302 -10.427 4.258 222 HG12 ILE 30 2HG1 ILE 30 -3.880 -9.887 1.311 223 HG13 ILE 30 1HG1 ILE 30 -2.931 -8.845 2.364 224 HG21 ILE 30 1HG2 ILE 30 -3.486 -12.526 2.977 225 HG22 ILE 30 2HG2 ILE 30 -5.040 -12.008 2.323 226 HG23 ILE 30 3HG2 ILE 30 -4.875 -12.328 4.053 227 HD11 ILE 30 3HD1 ILE 30 -1.258 -10.645 2.590 228 HD12 ILE 30 1HD1 ILE 30 -1.501 -10.138 0.918 229 HD13 ILE 30 2HD1 ILE 30 -2.214 -11.645 1.489 230 H ASP 31 H ASP 31 -4.947 -8.723 6.157 231 HA ASP 31 HA ASP 31 -5.827 -10.950 7.666 232 HB2 ASP 31 2HB ASP 31 -4.250 -9.329 8.583 233 HB3 ASP 31 1HB ASP 31 -5.429 -8.036 8.441 234 H ASP 32 H ASP 32 -7.374 -7.721 7.407 235 HA ASP 32 HA ASP 32 -9.905 -8.910 8.402 236 HB2 ASP 32 2HB ASP 32 -8.805 -7.243 9.903 237 HB3 ASP 32 1HB ASP 32 -8.893 -6.038 8.624 238 H LEU 33 H LEU 33 -8.568 -6.429 6.220 239 HA LEU 33 HA LEU 33 -11.031 -5.697 4.994 240 HB2 LEU 33 2HB LEU 33 -8.187 -5.375 3.956 241 HB3 LEU 33 1HB LEU 33 -9.596 -4.533 3.325 242 HG LEU 33 HG LEU 33 -8.453 -4.195 6.132 243 HD11 LEU 33 1HD1 LEU 33 -6.980 -3.211 4.458 244 HD12 LEU 33 2HD1 LEU 33 -7.782 -1.950 5.390 245 HD13 LEU 33 3HD1 LEU 33 -8.331 -2.318 3.751 246 HD21 LEU 33 3HD2 LEU 33 -10.872 -3.891 6.147 247 HD22 LEU 33 1HD2 LEU 33 -10.773 -2.758 4.794 248 HD23 LEU 33 2HD2 LEU 33 -10.069 -2.340 6.360 249 H GLY 34 H GLY 34 -8.812 -8.311 4.460 250 HA2 GLY 34 2HA GLY 34 -8.901 -10.183 3.159 251 HA3 GLY 34 1HA GLY 34 -10.583 -9.789 2.820 252 H ILE 35 H ILE 35 -8.044 -7.520 2.052 253 HA ILE 35 HA ILE 35 -8.586 -7.431 -0.734 254 HB ILE 35 HB ILE 35 -6.083 -6.457 0.733 255 HG12 ILE 35 2HG1 ILE 35 -8.591 -4.887 -0.021 256 HG13 ILE 35 1HG1 ILE 35 -8.217 -5.449 1.603 257 HG21 ILE 35 1HG2 ILE 35 -5.734 -4.963 -1.220 258 HG22 ILE 35 2HG2 ILE 35 -7.144 -5.663 -2.015 259 HG23 ILE 35 3HG2 ILE 35 -5.719 -6.658 -1.713 260 HD11 ILE 35 3HD1 ILE 35 -6.683 -3.405 0.002 261 HD12 ILE 35 1HD1 ILE 35 -6.200 -4.000 1.591 262 HD13 ILE 35 2HD1 ILE 35 -7.707 -3.109 1.401 263 H ASP 36 H ASP 36 -7.960 -8.867 -2.246 264 HA ASP 36 HA ASP 36 -6.294 -11.134 -1.632 265 HB2 ASP 36 2HB ASP 36 -8.324 -11.120 -3.204 266 HB3 ASP 36 1HB ASP 36 -7.333 -10.266 -4.370 267 H SER 37 H SER 37 -4.402 -11.699 -3.222 268 HA SER 37 HA SER 37 -2.485 -9.534 -2.955 269 HB2 SER 37 2HB SER 37 -1.893 -11.882 -2.363 270 HB3 SER 37 1HB SER 37 -2.084 -12.351 -4.051 271 HG SER 37 HG SER 37 -0.141 -10.664 -2.883 272 H LEU 38 H LEU 38 -4.451 -10.943 -5.431 273 HA LEU 38 HA LEU 38 -3.093 -9.676 -7.687 274 HB2 LEU 38 2HB LEU 38 -5.863 -10.948 -7.718 275 HB3 LEU 38 1HB LEU 38 -4.786 -10.671 -9.081 276 HG LEU 38 HG LEU 38 -4.514 -12.777 -6.901 277 HD11 LEU 38 1HD1 LEU 38 -4.839 -13.075 -9.898 278 HD12 LEU 38 2HD1 LEU 38 -6.087 -13.329 -8.672 279 HD13 LEU 38 3HD1 LEU 38 -4.677 -14.382 -8.717 280 HD21 LEU 38 3HD2 LEU 38 -2.470 -12.113 -9.041 281 HD22 LEU 38 1HD2 LEU 38 -2.437 -13.537 -7.994 282 HD23 LEU 38 2HD2 LEU 38 -2.281 -11.930 -7.295 283 H ASP 39 H ASP 39 -5.828 -9.156 -5.565 284 HA ASP 39 HA ASP 39 -7.020 -6.927 -6.924 285 HB2 ASP 39 2HB ASP 39 -8.332 -8.352 -5.419 286 HB3 ASP 39 1HB ASP 39 -7.280 -7.956 -4.068 287 H PHE 40 H PHE 40 -4.474 -7.328 -4.551 288 HA PHE 40 HA PHE 40 -4.262 -4.583 -3.752 289 HB2 PHE 40 2HB PHE 40 -3.431 -6.739 -2.486 290 HB3 PHE 40 1HB PHE 40 -1.994 -6.586 -3.485 291 HD1 PHE 40 HD1 PHE 40 -0.629 -4.387 -3.301 292 HD2 PHE 40 HD2 PHE 40 -3.685 -5.425 -0.505 293 HE1 PHE 40 HE1 PHE 40 0.295 -2.782 -1.697 294 HE2 PHE 40 HE2 PHE 40 -2.755 -3.803 1.089 295 HZ PHE 40 HZ PHE 40 -0.773 -2.493 0.495 296 H LEU 41 H LEU 41 -3.082 -6.465 -6.466 297 HA LEU 41 HA LEU 41 -0.912 -4.909 -7.354 298 HB2 LEU 41 2HB LEU 41 -3.003 -6.447 -8.935 299 HB3 LEU 41 1HB LEU 41 -1.603 -5.701 -9.688 300 HG LEU 41 HG LEU 41 -1.439 -7.907 -7.585 301 HD11 LEU 41 1HD1 LEU 41 -1.128 -8.108 -10.605 302 HD12 LEU 41 2HD1 LEU 41 -2.463 -8.757 -9.649 303 HD13 LEU 41 3HD1 LEU 41 -0.840 -9.408 -9.439 304 HD21 LEU 41 3HD2 LEU 41 0.723 -6.731 -9.372 305 HD22 LEU 41 1HD2 LEU 41 0.925 -8.050 -8.215 306 HD23 LEU 41 2HD2 LEU 41 0.545 -6.429 -7.645 307 H ASP 42 H ASP 42 -4.406 -4.411 -7.661 308 HA ASP 42 HA ASP 42 -4.346 -2.210 -9.485 309 HB2 ASP 42 2HB ASP 42 -6.365 -3.675 -9.034 310 HB3 ASP 42 1HB ASP 42 -6.537 -2.898 -7.469 311 H ILE 43 H ILE 43 -4.352 -2.488 -5.953 312 HA ILE 43 HA ILE 43 -4.532 0.248 -5.240 313 HB ILE 43 HB ILE 43 -3.089 -2.028 -3.793 314 HG12 ILE 43 2HG1 ILE 43 -5.917 -0.927 -3.451 315 HG13 ILE 43 1HG1 ILE 43 -5.478 -2.515 -4.073 316 HG21 ILE 43 1HG2 ILE 43 -3.901 0.680 -2.666 317 HG22 ILE 43 2HG2 ILE 43 -2.254 0.136 -2.984 318 HG23 ILE 43 3HG2 ILE 43 -3.214 -0.658 -1.740 319 HD11 ILE 43 3HD1 ILE 43 -4.558 -3.085 -1.848 320 HD12 ILE 43 1HD1 ILE 43 -6.276 -2.700 -1.818 321 HD13 ILE 43 2HD1 ILE 43 -5.105 -1.514 -1.256 322 H ALA 44 H ALA 44 -1.742 -1.884 -5.703 323 HA ALA 44 HA ALA 44 0.338 -0.048 -5.221 324 HB1 ALA 44 3HB ALA 44 0.625 -2.498 -5.173 325 HB2 ALA 44 1HB ALA 44 1.790 -1.752 -6.268 326 HB3 ALA 44 2HB ALA 44 0.366 -2.578 -6.917 327 H PHE 45 H PHE 45 -1.350 -0.988 -8.170 328 HA PHE 45 HA PHE 45 0.299 0.434 -10.023 329 HB2 PHE 45 2HB PHE 45 -1.330 -1.546 -10.504 330 HB3 PHE 45 1HB PHE 45 -2.603 -0.336 -10.583 331 HD1 PHE 45 HD2 PHE 45 0.488 -1.588 -12.185 332 HD2 PHE 45 HD1 PHE 45 -2.759 1.177 -12.506 333 HE1 PHE 45 HE2 PHE 45 1.076 -1.148 -14.524 334 HE2 PHE 45 HE1 PHE 45 -2.155 1.605 -14.845 335 HZ PHE 45 HZ PHE 45 -0.237 0.448 -15.857 336 H ALA 46 H ALA 46 -2.749 1.188 -8.398 337 HA ALA 46 HA ALA 46 -3.259 3.695 -9.612 338 HB1 ALA 46 3HB ALA 46 -4.976 2.445 -8.392 339 HB2 ALA 46 1HB ALA 46 -4.797 4.069 -7.724 340 HB3 ALA 46 2HB ALA 46 -4.100 2.682 -6.878 341 H ILE 47 H ILE 47 -1.316 2.722 -6.869 342 HA ILE 47 HA ILE 47 -0.665 5.326 -5.864 343 HB ILE 47 HB ILE 47 0.445 2.525 -5.413 344 HG12 ILE 47 2HG1 ILE 47 -1.003 4.397 -3.489 345 HG13 ILE 47 1HG1 ILE 47 -1.833 3.219 -4.495 346 HG21 ILE 47 1HG2 ILE 47 2.376 4.017 -5.095 347 HG22 ILE 47 2HG2 ILE 47 1.823 3.389 -3.544 348 HG23 ILE 47 3HG2 ILE 47 1.430 5.040 -4.010 349 HD11 ILE 47 3HD1 ILE 47 -1.511 2.492 -2.176 350 HD12 ILE 47 1HD1 ILE 47 0.233 2.525 -2.422 351 HD13 ILE 47 2HD1 ILE 47 -0.767 1.406 -3.348 352 H ASP 48 H ASP 48 0.963 3.044 -8.080 353 HA ASP 48 HA ASP 48 3.359 4.339 -8.628 354 HB2 ASP 48 2HB ASP 48 1.540 2.759 -10.503 355 HB3 ASP 48 1HB ASP 48 3.128 3.331 -11.001 356 H LYS 49 H LYS 49 0.182 4.880 -10.053 357 HA LYS 49 HA LYS 49 1.031 6.914 -11.913 358 HB2 LYS 49 2HB LYS 49 -1.749 6.000 -11.047 359 HB3 LYS 49 1HB LYS 49 -1.430 7.102 -12.386 360 HG2 LYS 49 2HG LYS 49 -0.264 5.347 -13.618 361 HG3 LYS 49 1HG LYS 49 -0.408 4.242 -12.246 362 HD2 LYS 49 2HD LYS 49 -2.753 5.379 -13.829 363 HD3 LYS 49 1HD LYS 49 -2.067 3.766 -14.045 364 HE2 LYS 49 2HE LYS 49 -2.681 3.212 -11.701 365 HE3 LYS 49 1HE LYS 49 -3.377 4.821 -11.515 366 HZ1 LYS 49 3HZ LYS 49 -4.945 4.262 -13.275 367 HZ2 LYS 49 1HZ LYS 49 -5.069 3.233 -11.942 368 HZ3 LYS 49 2HZ LYS 49 -4.307 2.699 -13.351 369 H ALA 50 H ALA 50 -0.749 6.878 -8.819 370 HA ALA 50 HA ALA 50 -1.699 9.561 -8.908 371 HB1 ALA 50 3HB ALA 50 -2.798 7.812 -7.563 372 HB2 ALA 50 1HB ALA 50 -2.380 9.205 -6.566 373 HB3 ALA 50 2HB ALA 50 -1.401 7.735 -6.492 374 H PHE 51 H PHE 51 0.946 8.056 -7.054 375 HA PHE 51 HA PHE 51 1.898 10.615 -6.024 376 HB2 PHE 51 2HB PHE 51 3.045 7.797 -5.749 377 HB3 PHE 51 1HB PHE 51 3.644 9.218 -4.903 378 HD1 PHE 51 HD1 PHE 51 0.642 7.018 -5.255 379 HD2 PHE 51 HD2 PHE 51 2.662 9.883 -2.814 380 HE1 PHE 51 HE1 PHE 51 -0.914 6.546 -3.415 381 HE2 PHE 51 HE2 PHE 51 1.114 9.386 -0.969 382 HZ PHE 51 HZ PHE 51 -0.668 7.719 -1.274 383 H GLY 52 H GLY 52 2.615 8.459 -8.674 384 HA2 GLY 52 2HA GLY 52 4.051 8.679 -10.470 385 HA3 GLY 52 1HA GLY 52 4.621 10.211 -9.811 386 H ILE 53 H ILE 53 4.556 6.908 -8.495 387 HA ILE 53 HA ILE 53 7.502 6.906 -8.158 388 HB ILE 53 HB ILE 53 7.233 5.703 -5.991 389 HG12 ILE 53 2HG1 ILE 53 4.259 6.369 -6.248 390 HG13 ILE 53 1HG1 ILE 53 4.958 4.760 -6.399 391 HG21 ILE 53 1HG2 ILE 53 5.893 8.420 -5.994 392 HG22 ILE 53 2HG2 ILE 53 7.629 8.110 -5.947 393 HG23 ILE 53 3HG2 ILE 53 6.613 7.626 -4.586 394 HD11 ILE 53 3HD1 ILE 53 4.953 6.471 -3.924 395 HD12 ILE 53 1HD1 ILE 53 5.692 4.875 -4.069 396 HD13 ILE 53 2HD1 ILE 53 3.950 5.057 -4.242 397 H LYS 54 H LYS 54 8.046 4.539 -7.290 398 HA LYS 54 HA LYS 54 6.671 2.506 -8.927 399 HB2 LYS 54 2HB LYS 54 8.876 3.072 -9.893 400 HB3 LYS 54 1HB LYS 54 9.659 2.775 -8.347 401 HG2 LYS 54 2HG LYS 54 9.005 0.380 -8.495 402 HG3 LYS 54 1HG LYS 54 8.257 0.690 -10.066 403 HD2 LYS 54 2HD LYS 54 11.205 1.024 -9.382 404 HD3 LYS 54 1HD LYS 54 10.506 -0.306 -10.310 405 HE2 LYS 54 2HE LYS 54 9.796 1.318 -12.059 406 HE3 LYS 54 1HE LYS 54 10.542 2.623 -11.134 407 HZ1 LYS 54 3HZ LYS 54 11.993 1.886 -12.868 408 HZ2 LYS 54 1HZ LYS 54 11.930 0.288 -12.316 409 HZ3 LYS 54 2HZ LYS 54 12.666 1.481 -11.373 410 H LEU 55 H LEU 55 5.415 1.707 -7.293 411 HA LEU 55 HA LEU 55 6.545 0.729 -4.796 412 HB2 LEU 55 2HB LEU 55 4.269 1.843 -4.954 413 HB3 LEU 55 1HB LEU 55 3.702 0.480 -5.900 414 HG LEU 55 HG LEU 55 4.707 0.179 -3.032 415 HD11 LEU 55 1HD1 LEU 55 1.841 0.601 -3.925 416 HD12 LEU 55 2HD1 LEU 55 2.824 1.720 -2.974 417 HD13 LEU 55 3HD1 LEU 55 2.359 0.164 -2.290 418 HD21 LEU 55 3HD2 LEU 55 2.970 -1.666 -4.715 419 HD22 LEU 55 1HD2 LEU 55 3.393 -1.925 -3.019 420 HD23 LEU 55 2HD2 LEU 55 4.646 -1.951 -4.253 421 HA PRO 56 HA PRO 56 7.107 -3.082 -7.299 422 HB2 PRO 56 2HB PRO 56 9.300 -4.088 -6.092 423 HB3 PRO 56 1HB PRO 56 9.412 -2.658 -7.133 424 HG2 PRO 56 2HG PRO 56 9.370 -2.820 -4.124 425 HG3 PRO 56 1HG PRO 56 10.352 -1.769 -5.166 426 HD2 PRO 56 2HD PRO 56 7.966 -1.009 -3.881 427 HD3 PRO 56 1HD PRO 56 8.689 -0.163 -5.267 428 H LEU 57 H LEU 57 4.986 -3.674 -6.344 429 HA LEU 57 HA LEU 57 4.795 -5.014 -3.831 430 HB2 LEU 57 2HB LEU 57 2.824 -3.982 -4.931 431 HB3 LEU 57 1HB LEU 57 2.919 -5.165 -6.225 432 HG LEU 57 HG LEU 57 2.506 -6.990 -4.504 433 HD11 LEU 57 1HD1 LEU 57 1.595 -6.391 -2.302 434 HD12 LEU 57 2HD1 LEU 57 1.928 -4.688 -2.618 435 HD13 LEU 57 3HD1 LEU 57 3.259 -5.840 -2.488 436 HD21 LEU 57 3HD2 LEU 57 0.686 -6.223 -5.903 437 HD22 LEU 57 1HD2 LEU 57 0.324 -4.911 -4.782 438 HD23 LEU 57 2HD2 LEU 57 0.092 -6.591 -4.288 439 H GLU 58 H GLU 58 5.415 -6.033 -7.129 440 HA GLU 58 HA GLU 58 5.215 -8.808 -6.969 441 HB2 GLU 58 2HB GLU 58 6.828 -8.806 -8.892 442 HB3 GLU 58 1HB GLU 58 5.502 -7.667 -9.085 443 HG2 GLU 58 2HG GLU 58 7.010 -5.812 -8.377 444 HG3 GLU 58 1HG GLU 58 8.338 -6.963 -8.261 445 H LYS 59 H LYS 59 7.804 -6.630 -5.965 446 HA LYS 59 HA LYS 59 9.670 -8.749 -5.325 447 HB2 LYS 59 2HB LYS 59 10.493 -6.484 -5.980 448 HB3 LYS 59 1HB LYS 59 9.779 -5.811 -4.514 449 HG2 LYS 59 2HG LYS 59 11.282 -7.256 -3.134 450 HG3 LYS 59 1HG LYS 59 11.994 -7.900 -4.613 451 HD2 LYS 59 2HD LYS 59 13.460 -6.211 -3.676 452 HD3 LYS 59 1HD LYS 59 12.796 -5.630 -5.206 453 HE2 LYS 59 2HE LYS 59 11.159 -4.246 -3.965 454 HE3 LYS 59 1HE LYS 59 11.808 -4.842 -2.433 455 HZ1 LYS 59 3HZ LYS 59 13.932 -3.841 -3.007 456 HZ2 LYS 59 1HZ LYS 59 12.698 -2.693 -2.979 457 HZ3 LYS 59 2HZ LYS 59 13.287 -3.254 -4.456 458 H TRP 60 H TRP 60 7.451 -6.596 -3.546 459 HA TRP 60 HA TRP 60 8.253 -7.269 -0.916 460 HB2 TRP 60 2HB TRP 60 5.588 -6.177 -1.917 461 HB3 TRP 60 1HB TRP 60 6.054 -6.255 -0.218 462 HD1 TRP 60 HD1 TRP 60 9.127 -5.227 -1.905 463 HE1 TRP 60 HE1 TRP 60 9.391 -2.681 -1.920 464 HE3 TRP 60 HE3 TRP 60 4.382 -3.904 -0.554 465 HZ2 TRP 60 HZ2 TRP 60 7.845 -0.411 -1.391 466 HZ3 TRP 60 HZ3 TRP 60 3.861 -1.511 -0.304 467 HH2 TRP 60 HH2 TRP 60 5.562 0.203 -0.713 468 H THR 61 H THR 61 5.628 -8.573 -2.935 469 HA THR 61 HA THR 61 4.615 -10.580 -1.366 470 HB THR 61 HB THR 61 5.103 -10.617 -4.383 471 HG1 THR 61 HG1 THR 61 3.756 -8.874 -3.254 472 HG21 THR 61 3HG2 THR 61 3.098 -12.214 -2.746 473 HG22 THR 61 1HG2 THR 61 4.518 -12.873 -3.562 474 HG23 THR 61 2HG2 THR 61 3.197 -12.183 -4.510 475 H GLN 62 H GLN 62 7.481 -10.689 -3.490 476 HA GLN 62 HA GLN 62 8.196 -13.402 -3.044 477 HB2 GLN 62 2HB GLN 62 8.993 -12.284 -5.041 478 HB3 GLN 62 1HB GLN 62 9.768 -11.017 -4.105 479 HG2 GLN 62 2HG GLN 62 11.416 -12.557 -5.058 480 HG3 GLN 62 1HG GLN 62 11.457 -12.581 -3.299 481 HE21 GLN 62 1HE2 GLN 62 9.094 -14.329 -5.310 482 HE22 GLN 62 2HE2 GLN 62 9.647 -15.903 -4.872 483 H GLU 63 H GLU 63 9.093 -10.374 -1.399 484 HA GLU 63 HA GLU 63 11.136 -11.308 0.274 485 HB2 GLU 63 2HB GLU 63 9.045 -9.190 0.935 486 HB3 GLU 63 1HB GLU 63 10.578 -9.409 1.774 487 HG2 GLU 63 2HG GLU 63 10.168 -8.487 -1.083 488 HG3 GLU 63 1HG GLU 63 10.724 -7.518 0.274 489 H VAL 64 H VAL 64 7.615 -11.290 0.732 490 HA VAL 64 HA VAL 64 7.569 -12.516 3.294 491 HB VAL 64 HB VAL 64 5.402 -12.502 1.149 492 HG11 VAL 64 1HG1 VAL 64 4.981 -14.236 2.874 493 HG12 VAL 64 2HG1 VAL 64 3.817 -12.921 3.012 494 HG13 VAL 64 3HG1 VAL 64 5.162 -13.025 4.147 495 HG21 VAL 64 3HG2 VAL 64 6.105 -10.203 1.754 496 HG22 VAL 64 1HG2 VAL 64 5.839 -10.567 3.462 497 HG23 VAL 64 2HG2 VAL 64 4.477 -10.539 2.342 498 H ASN 65 H ASN 65 7.124 -13.801 0.003 499 HA ASN 65 HA ASN 65 6.570 -16.469 0.655 500 HB2 ASN 65 2HB ASN 65 7.710 -15.290 -1.916 501 HB3 ASN 65 1HB ASN 65 7.150 -16.956 -1.767 502 HD21 ASN 65 1HD2 ASN 65 6.169 -14.883 -3.514 503 HD22 ASN 65 2HD2 ASN 65 4.492 -14.698 -3.159 504 H ASP 66 H ASP 66 9.667 -14.857 0.348 505 HA ASP 66 HA ASP 66 11.186 -17.365 0.358 506 HB2 ASP 66 2HB ASP 66 11.673 -15.288 -1.136 507 HB3 ASP 66 1HB ASP 66 12.301 -14.531 0.319 508 H GLY 67 H GLY 67 9.831 -15.271 2.615 509 HA2 GLY 67 2HA GLY 67 9.869 -15.379 4.923 510 HA3 GLY 67 1HA GLY 67 11.260 -16.447 4.854 511 H LYS 68 H LYS 68 11.644 -13.607 3.010 512 HA LYS 68 HA LYS 68 13.705 -12.592 4.794 513 HB2 LYS 68 2HB LYS 68 12.815 -11.678 2.026 514 HB3 LYS 68 1HB LYS 68 14.187 -11.011 2.909 515 HG2 LYS 68 2HG LYS 68 13.919 -13.890 1.978 516 HG3 LYS 68 1HG LYS 68 14.885 -12.636 1.194 517 HD2 LYS 68 2HD LYS 68 16.285 -12.456 3.256 518 HD3 LYS 68 1HD LYS 68 15.336 -13.743 4.006 519 HE2 LYS 68 2HE LYS 68 16.100 -15.317 2.259 520 HE3 LYS 68 1HE LYS 68 17.018 -14.021 1.490 521 HZ1 LYS 68 3HZ LYS 68 18.385 -15.449 2.864 522 HZ2 LYS 68 1HZ LYS 68 17.482 -15.043 4.230 523 HZ3 LYS 68 2HZ LYS 68 18.392 -13.860 3.437 524 H ALA 69 H ALA 69 10.380 -11.967 4.357 525 HA ALA 69 HA ALA 69 10.417 -9.787 6.241 526 HB1 ALA 69 3HB ALA 69 9.308 -8.100 4.849 527 HB2 ALA 69 1HB ALA 69 9.362 -9.180 3.450 528 HB3 ALA 69 2HB ALA 69 10.858 -8.541 4.130 529 H THR 70 H THR 70 8.143 -8.994 6.666 530 HA THR 70 HA THR 70 6.229 -11.254 6.574 531 HB THR 70 HB THR 70 5.094 -10.060 8.497 532 HG1 THR 70 HG1 THR 70 7.229 -8.520 9.202 533 HG21 THR 70 3HG2 THR 70 6.721 -11.883 8.937 534 HG22 THR 70 1HG2 THR 70 6.766 -10.652 10.204 535 HG23 THR 70 2HG2 THR 70 8.033 -10.701 8.977 536 H THR 71 H THR 71 4.002 -10.836 6.148 537 HA THR 71 HA THR 71 3.335 -8.817 4.250 538 HB THR 71 HB THR 71 0.917 -9.495 4.737 539 HG1 THR 71 HG1 THR 71 0.866 -11.540 6.031 540 HG21 THR 71 3HG2 THR 71 2.831 -11.765 4.101 541 HG22 THR 71 1HG2 THR 71 2.182 -10.608 2.935 542 HG23 THR 71 2HG2 THR 71 1.104 -11.741 3.751 543 H GLU 72 H GLU 72 3.185 -8.955 7.778 544 HA GLU 72 HA GLU 72 1.554 -6.726 8.296 545 HB2 GLU 72 2HB GLU 72 2.235 -8.310 10.067 546 HB3 GLU 72 1HB GLU 72 3.914 -7.792 9.921 547 HG2 GLU 72 2HG GLU 72 3.262 -5.520 10.684 548 HG3 GLU 72 1HG GLU 72 1.592 -6.063 10.843 549 H GLN 73 H GLN 73 5.018 -6.981 7.610 550 HA GLN 73 HA GLN 73 5.891 -4.376 8.070 551 HB2 GLN 73 2HB GLN 73 7.422 -6.232 7.650 552 HB3 GLN 73 1HB GLN 73 6.828 -6.407 6.005 553 HG2 GLN 73 2HG GLN 73 7.800 -4.240 5.396 554 HG3 GLN 73 1HG GLN 73 8.337 -3.989 7.055 555 HE21 GLN 73 1HE2 GLN 73 9.286 -6.714 7.484 556 HE22 GLN 73 2HE2 GLN 73 10.713 -6.890 6.527 557 H TYR 74 H TYR 74 4.147 -5.670 5.294 558 HA TYR 74 HA TYR 74 4.355 -3.074 3.881 559 HB2 TYR 74 2HB TYR 74 3.583 -5.785 2.728 560 HB3 TYR 74 1HB TYR 74 3.879 -4.303 1.817 561 HD1 TYR 74 HD1 TYR 74 6.309 -3.188 2.483 562 HD2 TYR 74 HD2 TYR 74 5.349 -7.361 2.618 563 HE1 TYR 74 HE1 TYR 74 8.696 -3.739 2.299 564 HE2 TYR 74 HE2 TYR 74 7.738 -7.916 2.428 565 HH TYR 74 HH TYR 74 10.202 -5.632 2.907 566 H PHE 75 H PHE 75 1.938 -5.705 4.079 567 HA PHE 75 HA PHE 75 -0.117 -4.236 2.883 568 HB2 PHE 75 2HB PHE 75 -0.191 -6.831 4.459 569 HB3 PHE 75 1HB PHE 75 -1.563 -6.207 3.553 570 HD1 PHE 75 HD1 PHE 75 1.980 -7.379 3.145 571 HD2 PHE 75 HD2 PHE 75 -1.772 -6.660 1.230 572 HE1 PHE 75 HE1 PHE 75 2.801 -8.499 1.114 573 HE2 PHE 75 HE2 PHE 75 -0.942 -7.772 -0.805 574 HZ PHE 75 HZ PHE 75 1.342 -8.697 -0.864 575 H VAL 76 H VAL 76 0.661 -4.269 6.359 576 HA VAL 76 HA VAL 76 -1.871 -3.293 7.299 577 HB VAL 76 HB VAL 76 0.910 -2.693 8.435 578 HG11 VAL 76 1HG1 VAL 76 -0.709 -1.024 9.229 579 HG12 VAL 76 2HG1 VAL 76 -0.250 -2.103 10.547 580 HG13 VAL 76 3HG1 VAL 76 -1.811 -2.308 9.744 581 HG21 VAL 76 3HG2 VAL 76 0.412 -5.103 8.461 582 HG22 VAL 76 1HG2 VAL 76 -1.098 -4.799 9.322 583 HG23 VAL 76 2HG2 VAL 76 0.451 -4.448 10.098 584 H LEU 77 H LEU 77 -2.742 -1.199 7.163 585 HA LEU 77 HA LEU 77 -2.052 0.169 4.826 586 HB2 LEU 77 2HB LEU 77 -3.791 1.246 7.071 587 HB3 LEU 77 1HB LEU 77 -3.798 1.773 5.393 588 HG LEU 77 HG LEU 77 -4.860 -0.829 6.547 589 HD11 LEU 77 1HD1 LEU 77 -6.188 1.315 4.862 590 HD12 LEU 77 2HD1 LEU 77 -6.387 1.073 6.600 591 HD13 LEU 77 3HD1 LEU 77 -6.953 -0.156 5.473 592 HD21 LEU 77 3HD2 LEU 77 -4.413 -0.255 3.597 593 HD22 LEU 77 1HD2 LEU 77 -5.329 -1.616 4.250 594 HD23 LEU 77 2HD2 LEU 77 -3.601 -1.489 4.563 595 H LYS 78 H LYS 78 -1.398 1.080 8.223 596 HA LYS 78 HA LYS 78 -0.129 3.566 7.669 597 HB2 LYS 78 2HB LYS 78 0.737 3.454 9.979 598 HB3 LYS 78 1HB LYS 78 -0.969 3.051 9.901 599 HG2 LYS 78 2HG LYS 78 -0.371 0.630 10.043 600 HG3 LYS 78 1HG LYS 78 1.321 1.094 10.244 601 HD2 LYS 78 2HD LYS 78 0.677 2.358 12.319 602 HD3 LYS 78 1HD LYS 78 -0.983 1.775 12.124 603 HE2 LYS 78 2HE LYS 78 0.181 0.399 13.764 604 HE3 LYS 78 1HE LYS 78 -0.146 -0.567 12.326 605 HZ1 LYS 78 3HZ LYS 78 2.108 -0.881 13.241 606 HZ2 LYS 78 1HZ LYS 78 2.469 0.738 12.903 607 HZ3 LYS 78 2HZ LYS 78 2.128 -0.336 11.646 608 H ASN 79 H ASN 79 1.153 0.261 7.909 609 HA ASN 79 HA ASN 79 3.930 0.943 7.784 610 HB2 ASN 79 2HB ASN 79 2.460 -1.676 7.252 611 HB3 ASN 79 1HB ASN 79 4.215 -1.531 7.203 612 HD21 ASN 79 1HD2 ASN 79 4.451 -3.019 8.893 613 HD22 ASN 79 2HD2 ASN 79 4.078 -2.614 10.531 614 H LEU 80 H LEU 80 1.647 -0.309 5.372 615 HA LEU 80 HA LEU 80 3.016 -0.140 3.017 616 HB2 LEU 80 2HB LEU 80 0.727 -1.033 3.229 617 HB3 LEU 80 1HB LEU 80 0.111 0.574 3.577 618 HG LEU 80 HG LEU 80 0.816 1.275 1.237 619 HD11 LEU 80 1HD1 LEU 80 1.265 -0.450 -0.448 620 HD12 LEU 80 2HD1 LEU 80 1.292 -1.692 0.807 621 HD13 LEU 80 3HD1 LEU 80 2.516 -0.419 0.791 622 HD21 LEU 80 3HD2 LEU 80 -1.093 0.238 0.109 623 HD22 LEU 80 1HD2 LEU 80 -1.511 0.738 1.746 624 HD23 LEU 80 2HD2 LEU 80 -1.220 -0.968 1.391 625 H ALA 81 H ALA 81 1.207 2.433 4.668 626 HA ALA 81 HA ALA 81 1.661 4.485 2.750 627 HB1 ALA 81 3HB ALA 81 -0.193 4.576 4.362 628 HB2 ALA 81 1HB ALA 81 0.809 6.025 4.474 629 HB3 ALA 81 2HB ALA 81 0.950 4.751 5.693 630 H ALA 82 H ALA 82 3.518 3.294 5.483 631 HA ALA 82 HA ALA 82 5.393 5.486 5.567 632 HB1 ALA 82 3HB ALA 82 6.667 4.036 7.102 633 HB2 ALA 82 1HB ALA 82 5.603 2.676 6.716 634 HB3 ALA 82 2HB ALA 82 4.962 4.092 7.550 635 H ARG 83 H ARG 83 5.391 2.198 4.106 636 HA ARG 83 HA ARG 83 7.910 2.190 2.896 637 HB2 ARG 83 2HB ARG 83 5.320 1.005 1.796 638 HB3 ARG 83 1HB ARG 83 6.938 0.579 1.260 639 HG2 ARG 83 2HG ARG 83 5.650 -0.072 3.933 640 HG3 ARG 83 1HG ARG 83 6.122 -1.200 2.661 641 HD2 ARG 83 2HD ARG 83 7.914 0.396 4.511 642 HD3 ARG 83 1HD ARG 83 7.784 -1.362 4.383 643 HE ARG 83 HE ARG 83 8.709 -0.995 2.016 644 HH11 ARG 83 1HH1 ARG 83 9.685 0.960 4.783 645 HH12 ARG 83 2HH1 ARG 83 11.158 1.480 4.031 646 HH21 ARG 83 1HH2 ARG 83 10.606 -0.249 1.059 647 HH22 ARG 83 2HH2 ARG 83 11.688 0.788 1.932 648 H ILE 84 H ILE 84 4.842 3.442 1.740 649 HA ILE 84 HA ILE 84 5.714 4.357 -0.832 650 HB ILE 84 HB ILE 84 3.235 5.061 0.799 651 HG12 ILE 84 2HG1 ILE 84 3.478 3.137 -1.556 652 HG13 ILE 84 1HG1 ILE 84 3.591 2.620 0.123 653 HG21 ILE 84 1HG2 ILE 84 3.718 5.603 -2.157 654 HG22 ILE 84 2HG2 ILE 84 3.635 6.826 -0.893 655 HG23 ILE 84 3HG2 ILE 84 2.206 5.876 -1.293 656 HD11 ILE 84 3HD1 ILE 84 1.205 3.932 -1.158 657 HD12 ILE 84 1HD1 ILE 84 1.327 3.407 0.524 658 HD13 ILE 84 2HD1 ILE 84 1.397 2.220 -0.775 659 H ASP 85 H ASP 85 5.141 5.977 2.301 660 HA ASP 85 HA ASP 85 5.969 8.542 1.797 661 HB2 ASP 85 2HB ASP 85 5.088 7.794 3.974 662 HB3 ASP 85 1HB ASP 85 6.555 6.871 4.276 663 H GLU 86 H GLU 86 8.041 5.701 2.366 664 HA GLU 86 HA GLU 86 10.533 7.070 2.245 665 HB2 GLU 86 2HB GLU 86 10.162 4.780 3.235 666 HB3 GLU 86 1HB GLU 86 9.949 4.144 1.607 667 HG2 GLU 86 2HG GLU 86 12.281 4.909 1.065 668 HG3 GLU 86 1HG GLU 86 12.465 5.393 2.751 669 H LEU 87 H LEU 87 8.543 5.402 -0.210 670 HA LEU 87 HA LEU 87 10.247 5.667 -2.449 671 HB2 LEU 87 2HB LEU 87 7.231 5.375 -2.238 672 HB3 LEU 87 1HB LEU 87 8.081 5.327 -3.777 673 HG LEU 87 HG LEU 87 8.653 3.377 -1.508 674 HD11 LEU 87 1HD1 LEU 87 7.323 1.712 -2.719 675 HD12 LEU 87 2HD1 LEU 87 6.836 2.930 -3.901 676 HD13 LEU 87 3HD1 LEU 87 6.326 3.076 -2.216 677 HD21 LEU 87 3HD2 LEU 87 9.782 2.059 -3.239 678 HD22 LEU 87 1HD2 LEU 87 10.490 3.670 -3.125 679 HD23 LEU 87 2HD2 LEU 87 9.395 3.280 -4.454 680 H VAL 88 H VAL 88 7.676 7.859 -1.269 681 HA VAL 88 HA VAL 88 7.958 9.710 -3.470 682 HB VAL 88 HB VAL 88 6.361 11.165 -2.304 683 HG11 VAL 88 1HG1 VAL 88 4.407 9.639 -2.197 684 HG12 VAL 88 2HG1 VAL 88 5.493 8.246 -2.175 685 HG13 VAL 88 3HG1 VAL 88 5.427 9.293 -3.596 686 HG21 VAL 88 3HG2 VAL 88 6.549 9.235 0.042 687 HG22 VAL 88 1HG2 VAL 88 5.392 10.560 -0.094 688 HG23 VAL 88 2HG2 VAL 88 7.116 10.905 0.024 689 H ALA 89 H ALA 89 9.323 9.331 -0.268 690 HA ALA 89 HA ALA 89 10.688 11.846 -0.158 691 HB1 ALA 89 3HB ALA 89 11.375 9.207 1.195 692 HB2 ALA 89 1HB ALA 89 10.334 10.470 1.853 693 HB3 ALA 89 2HB ALA 89 12.052 10.788 1.608 694 H ALA 90 H ALA 90 11.528 8.599 -1.417 695 HA ALA 90 HA ALA 90 14.132 9.000 -2.222 696 HB1 ALA 90 3HB ALA 90 13.810 7.146 -3.778 697 HB2 ALA 90 1HB ALA 90 12.056 7.321 -3.666 698 HB3 ALA 90 2HB ALA 90 12.986 6.812 -2.255 699 H LYS 91 H LYS 91 11.190 9.681 -4.219 700 HA LYS 91 HA LYS 91 12.708 10.806 -6.405 701 HB2 LYS 91 2HB LYS 91 10.544 11.496 -7.346 702 HB3 LYS 91 1HB LYS 91 10.492 9.818 -6.821 703 HG2 LYS 91 2HG LYS 91 9.194 10.418 -4.851 704 HG3 LYS 91 1HG LYS 91 9.358 12.138 -5.220 705 HD2 LYS 91 2HD LYS 91 8.044 11.827 -7.290 706 HD3 LYS 91 1HD LYS 91 7.898 10.098 -6.947 707 HE2 LYS 91 2HE LYS 91 5.849 11.235 -6.299 708 HE3 LYS 91 1HE LYS 91 6.665 10.657 -4.852 709 HZ1 LYS 91 3HZ LYS 91 7.559 12.925 -4.574 710 HZ2 LYS 91 1HZ LYS 91 5.874 12.858 -4.483 711 HZ3 LYS 91 2HZ LYS 91 6.620 13.440 -5.884 712 H GLY 92 H GLY 92 10.991 12.151 -3.593 713 HA2 GLY 92 2HA GLY 92 11.476 14.875 -4.053 714 HA3 GLY 92 1HA GLY 92 11.267 14.131 -2.472 715 H ALA 93 H ALA 93 13.638 12.364 -3.022 716 HA ALA 93 HA ALA 93 15.572 14.000 -1.655 717 HB1 ALA 93 3HB ALA 93 15.910 11.205 -2.784 718 HB2 ALA 93 1HB ALA 93 15.360 11.604 -1.160 719 HB3 ALA 93 2HB ALA 93 17.010 12.006 -1.657 720 H LEU 94 H LEU 94 15.076 13.037 -5.005 721 HA LEU 94 HA LEU 94 17.401 13.775 -6.302 722 HB2 LEU 94 2HB LEU 94 14.554 14.447 -7.155 723 HB3 LEU 94 1HB LEU 94 15.953 14.487 -8.218 724 HG LEU 94 HG LEU 94 14.824 11.984 -6.893 725 HD11 LEU 94 1HD1 LEU 94 14.619 12.893 -9.784 726 HD12 LEU 94 2HD1 LEU 94 13.303 12.842 -8.608 727 HD13 LEU 94 3HD1 LEU 94 14.061 11.344 -9.143 728 HD21 LEU 94 3HD2 LEU 94 16.362 10.737 -8.356 729 HD22 LEU 94 1HD2 LEU 94 17.240 11.789 -7.245 730 HD23 LEU 94 2HD2 LEU 94 17.053 12.253 -8.938 731 H GLU 95 H GLU 95 14.702 15.932 -5.382 732 HA GLU 95 HA GLU 95 16.277 18.362 -5.572 733 HB2 GLU 95 2HB GLU 95 13.539 17.866 -4.300 734 HB3 GLU 95 1HB GLU 95 14.280 19.448 -4.543 735 HG2 GLU 95 2HG GLU 95 14.264 18.977 -7.022 736 HG3 GLU 95 1HG GLU 95 13.321 17.525 -6.681 737 H HIS 96 H HIS 96 17.912 18.558 -4.105 738 HA HIS 96 HA HIS 96 18.046 17.081 -1.700 739 HB2 HIS 96 2HB HIS 96 19.737 19.383 -2.735 740 HB3 HIS 96 1HB HIS 96 20.068 18.588 -1.196 741 HD1 HIS 96 HD1 HIS 96 21.549 16.587 -1.305 742 HD2 HIS 96 HD2 HIS 96 19.795 17.427 -4.981 743 HE1 HIS 96 HE1 HIS 96 22.551 14.945 -2.916 744 HE2 HIS 96 HE2 HIS 96 21.302 15.326 -5.066 745 H HIS 97 H HIS 97 17.474 17.475 0.313 746 HA HIS 97 HA HIS 97 15.353 19.253 0.857 747 HB2 HIS 97 2HB HIS 97 15.598 16.991 1.839 748 HB3 HIS 97 1HB HIS 97 17.037 17.509 2.708 749 HD1 HIS 97 HD1 HIS 97 13.305 17.621 2.816 750 HD2 HIS 97 HD2 HIS 97 16.524 19.017 5.048 751 HE1 HIS 97 HE1 HIS 97 12.341 18.297 5.038 752 HE2 HIS 97 HE2 HIS 97 14.331 18.987 6.423 753 H HIS 98 H HIS 98 15.660 21.367 0.985 754 HA HIS 98 HA HIS 98 17.712 22.533 2.798 755 HB2 HIS 98 2HB HIS 98 16.813 23.691 0.104 756 HB3 HIS 98 1HB HIS 98 17.921 24.468 1.231 757 HD1 HIS 98 HD1 HIS 98 17.947 22.537 -1.757 758 HD2 HIS 98 HD2 HIS 98 20.339 22.697 1.629 759 HE1 HIS 98 HE1 HIS 98 20.162 21.594 -2.466 760 HE2 HIS 98 HE2 HIS 98 21.603 21.716 -0.402 761 H HIS 99 H HIS 99 17.054 24.529 3.786 762 HA HIS 99 HA HIS 99 14.259 24.831 4.387 763 HB2 HIS 99 2HB HIS 99 16.648 26.611 5.064 764 HB3 HIS 99 1HB HIS 99 15.027 26.842 5.705 765 HD1 HIS 99 HD1 HIS 99 18.164 25.278 6.484 766 HD2 HIS 99 HD2 HIS 99 14.170 24.498 7.323 767 HE1 HIS 99 HE1 HIS 99 18.186 23.717 8.457 768 HE2 HIS 99 HE2 HIS 99 15.761 23.179 8.877 769 H HIS 100 H HIS 100 12.839 25.785 3.071 770 HA HIS 100 HA HIS 100 13.651 27.542 0.880 771 HB2 HIS 100 2HB HIS 100 10.932 26.356 1.626 772 HB3 HIS 100 1HB HIS 100 11.186 27.418 0.246 773 HD1 HIS 100 HD1 HIS 100 10.886 23.992 0.988 774 HD2 HIS 100 HD2 HIS 100 13.354 26.183 -1.528 775 HE1 HIS 100 HE1 HIS 100 11.649 22.372 -0.767 776 HE2 HIS 100 HE2 HIS 100 13.244 23.689 -2.201 777 H HIS 101 H HIS 101 13.232 29.695 0.779 778 HA HIS 101 HA HIS 101 11.587 31.115 2.688 779 HB2 HIS 101 2HB HIS 101 13.657 30.767 4.017 780 HB3 HIS 101 1HB HIS 101 14.627 31.464 2.729 781 HD1 HIS 101 HD1 HIS 101 14.552 34.041 2.451 782 HD2 HIS 101 HD2 HIS 101 12.360 32.616 5.682 783 HE1 HIS 101 HE1 HIS 101 14.068 36.052 3.869 784 HE2 HIS 101 HE2 HIS 101 12.556 35.197 5.689 Start of MODEL 19 1 H1 MET 1 1H MET 1 -1.027 18.199 7.887 2 H2 MET 1 2H MET 1 -1.176 19.881 7.867 3 H3 MET 1 3H MET 1 -0.648 19.067 6.488 4 HA MET 1 HA MET 1 -3.295 18.768 7.741 5 HB2 MET 1 2HB MET 1 -4.164 20.004 5.698 6 HB3 MET 1 1HB MET 1 -3.244 20.979 6.834 7 HG2 MET 1 2HG MET 1 -1.279 20.832 5.365 8 HG3 MET 1 1HG MET 1 -2.211 19.868 4.220 9 HE1 MET 1 3HE MET 1 -3.121 24.312 5.167 10 HE2 MET 1 1HE MET 1 -1.798 23.408 5.905 11 HE3 MET 1 2HE MET 1 -3.469 23.017 6.308 12 H THR 2 H THR 2 -1.365 18.109 4.769 13 HA THR 2 HA THR 2 -2.975 15.671 4.312 14 HB THR 2 HB THR 2 -0.988 16.966 2.378 15 HG1 THR 2 HG1 THR 2 -3.832 17.145 2.303 16 HG21 THR 2 3HG2 THR 2 -3.188 14.886 1.935 17 HG22 THR 2 1HG2 THR 2 -1.446 14.581 1.870 18 HG23 THR 2 2HG2 THR 2 -2.207 15.618 0.660 19 H SER 3 H SER 3 -1.919 13.712 3.927 20 HA SER 3 HA SER 3 0.894 13.367 4.676 21 HB2 SER 3 2HB SER 3 -0.393 13.006 6.778 22 HB3 SER 3 1HB SER 3 -1.432 11.841 5.958 23 HG SER 3 HG SER 3 0.300 10.908 7.209 24 H THR 4 H THR 4 1.722 11.299 4.005 25 HA THR 4 HA THR 4 0.947 10.311 1.501 26 HB THR 4 HB THR 4 2.569 8.899 3.669 27 HG1 THR 4 HG1 THR 4 4.069 10.280 3.133 28 HG21 THR 4 3HG2 THR 4 3.630 7.636 1.823 29 HG22 THR 4 1HG2 THR 4 2.535 8.389 0.663 30 HG23 THR 4 2HG2 THR 4 1.901 7.295 1.896 31 H PHE 5 H PHE 5 -0.218 9.507 4.727 32 HA PHE 5 HA PHE 5 -1.211 6.909 4.209 33 HB2 PHE 5 2HB PHE 5 -0.877 7.570 6.518 34 HB3 PHE 5 1HB PHE 5 -2.015 8.907 6.372 35 HD1 PHE 5 HD1 PHE 5 -1.887 5.149 6.019 36 HD2 PHE 5 HD2 PHE 5 -4.267 8.559 7.059 37 HE1 PHE 5 HE1 PHE 5 -3.742 3.684 6.642 38 HE2 PHE 5 HE2 PHE 5 -6.117 7.059 7.675 39 HZ PHE 5 HZ PHE 5 -5.854 4.620 7.467 40 H ASP 6 H ASP 6 -3.019 10.005 4.428 41 HA ASP 6 HA ASP 6 -5.579 8.923 3.910 42 HB2 ASP 6 2HB ASP 6 -6.254 11.321 3.414 43 HB3 ASP 6 1HB ASP 6 -5.463 11.076 4.963 44 H ARG 7 H ARG 7 -3.076 10.038 1.749 45 HA ARG 7 HA ARG 7 -4.481 10.052 -0.698 46 HB2 ARG 7 2HB ARG 7 -1.557 9.520 -0.055 47 HB3 ARG 7 1HB ARG 7 -2.170 9.737 -1.692 48 HG2 ARG 7 2HG ARG 7 -2.272 11.819 0.522 49 HG3 ARG 7 1HG ARG 7 -1.110 11.778 -0.812 50 HD2 ARG 7 2HD ARG 7 -2.965 12.004 -2.428 51 HD3 ARG 7 1HD ARG 7 -4.119 12.067 -1.092 52 HE ARG 7 HE ARG 7 -2.108 14.087 -0.865 53 HH11 ARG 7 1HH1 ARG 7 -5.126 13.335 -2.511 54 HH12 ARG 7 2HH1 ARG 7 -5.518 14.998 -2.806 55 HH21 ARG 7 1HH2 ARG 7 -2.660 16.258 -1.224 56 HH22 ARG 7 2HH2 ARG 7 -4.117 16.655 -2.074 57 H VAL 8 H VAL 8 -2.456 7.511 0.818 58 HA VAL 8 HA VAL 8 -2.975 5.437 -1.034 59 HB VAL 8 HB VAL 8 -2.293 5.135 1.931 60 HG11 VAL 8 1HG1 VAL 8 -1.355 2.913 1.277 61 HG12 VAL 8 2HG1 VAL 8 -1.966 3.155 -0.363 62 HG13 VAL 8 3HG1 VAL 8 -3.094 3.015 0.986 63 HG21 VAL 8 3HG2 VAL 8 -0.631 6.539 0.757 64 HG22 VAL 8 1HG2 VAL 8 -0.409 5.278 -0.452 65 HG23 VAL 8 2HG2 VAL 8 0.068 4.989 1.223 66 H ALA 9 H ALA 9 -4.730 6.533 1.810 67 HA ALA 9 HA ALA 9 -6.512 4.346 2.154 68 HB1 ALA 9 3HB ALA 9 -6.860 7.262 2.980 69 HB2 ALA 9 1HB ALA 9 -6.093 6.001 3.950 70 HB3 ALA 9 2HB ALA 9 -7.815 5.902 3.576 71 H THR 10 H THR 10 -6.802 7.487 0.482 72 HA THR 10 HA THR 10 -9.271 7.300 -0.742 73 HB THR 10 HB THR 10 -6.664 8.539 -1.692 74 HG1 THR 10 HG1 THR 10 -7.215 10.089 -0.403 75 HG21 THR 10 3HG2 THR 10 -8.032 8.252 -3.702 76 HG22 THR 10 1HG2 THR 10 -7.980 9.958 -3.244 77 HG23 THR 10 2HG2 THR 10 -9.415 8.993 -2.892 78 H ILE 11 H ILE 11 -6.131 6.073 -1.890 79 HA ILE 11 HA ILE 11 -6.888 5.077 -4.392 80 HB ILE 11 HB ILE 11 -4.676 4.168 -2.520 81 HG12 ILE 11 2HG1 ILE 11 -4.398 6.485 -3.277 82 HG13 ILE 11 1HG1 ILE 11 -3.162 5.474 -4.012 83 HG21 ILE 11 1HG2 ILE 11 -5.157 2.302 -4.016 84 HG22 ILE 11 2HG2 ILE 11 -3.619 3.033 -4.465 85 HG23 ILE 11 3HG2 ILE 11 -5.059 3.363 -5.423 86 HD11 ILE 11 3HD1 ILE 11 -4.033 7.100 -5.570 87 HD12 ILE 11 1HD1 ILE 11 -5.668 6.479 -5.357 88 HD13 ILE 11 2HD1 ILE 11 -4.426 5.469 -6.105 89 H ILE 12 H ILE 12 -6.512 3.314 -1.316 90 HA ILE 12 HA ILE 12 -7.249 0.758 -2.205 91 HB ILE 12 HB ILE 12 -7.382 1.954 0.594 92 HG12 ILE 12 2HG1 ILE 12 -5.204 0.272 -0.718 93 HG13 ILE 12 1HG1 ILE 12 -5.129 2.008 -0.461 94 HG21 ILE 12 1HG2 ILE 12 -7.462 -0.986 -0.174 95 HG22 ILE 12 2HG2 ILE 12 -8.775 -0.059 0.556 96 HG23 ILE 12 3HG2 ILE 12 -7.300 -0.369 1.471 97 HD11 ILE 12 3HD1 ILE 12 -5.137 1.654 1.951 98 HD12 ILE 12 1HD1 ILE 12 -3.805 0.815 1.160 99 HD13 ILE 12 2HD1 ILE 12 -5.218 -0.091 1.697 100 H ALA 13 H ALA 13 -9.152 3.390 -0.862 101 HA ALA 13 HA ALA 13 -11.626 2.169 -0.430 102 HB1 ALA 13 3HB ALA 13 -11.106 5.033 -1.311 103 HB2 ALA 13 1HB ALA 13 -11.047 4.442 0.348 104 HB3 ALA 13 2HB ALA 13 -12.576 4.437 -0.532 105 H GLU 14 H GLU 14 -10.429 3.827 -3.368 106 HA GLU 14 HA GLU 14 -12.875 3.200 -4.803 107 HB2 GLU 14 2HB GLU 14 -10.414 4.798 -5.602 108 HB3 GLU 14 1HB GLU 14 -11.888 4.664 -6.568 109 HG2 GLU 14 2HG GLU 14 -13.195 5.705 -4.767 110 HG3 GLU 14 1HG GLU 14 -11.759 5.795 -3.748 111 H THR 15 H THR 15 -9.577 1.892 -4.766 112 HA THR 15 HA THR 15 -9.825 0.484 -7.290 113 HB THR 15 HB THR 15 -7.684 -0.700 -6.471 114 HG1 THR 15 HG1 THR 15 -7.022 1.140 -4.636 115 HG21 THR 15 3HG2 THR 15 -6.217 1.247 -6.804 116 HG22 THR 15 1HG2 THR 15 -7.602 2.334 -6.617 117 HG23 THR 15 2HG2 THR 15 -7.523 1.217 -7.988 118 H CYS 16 H CYS 16 -9.477 -0.587 -3.896 119 HA CYS 16 HA CYS 16 -10.311 -3.288 -4.450 120 HB2 CYS 16 2HB CYS 16 -8.563 -2.866 -2.801 121 HB3 CYS 16 1HB CYS 16 -9.635 -1.827 -1.865 122 HG CYS 16 HG CYS 16 -9.176 -5.061 -1.647 123 H ASP 17 H ASP 17 -12.028 -0.432 -3.922 124 HA ASP 17 HA ASP 17 -14.132 0.142 -3.423 125 HB2 ASP 17 2HB ASP 17 -14.732 -1.489 -5.163 126 HB3 ASP 17 1HB ASP 17 -14.695 -2.800 -3.991 127 H ILE 18 H ILE 18 -13.182 0.524 -1.304 128 HA ILE 18 HA ILE 18 -14.517 -0.998 0.853 129 HB ILE 18 HB ILE 18 -11.738 0.278 1.052 130 HG12 ILE 18 2HG1 ILE 18 -12.531 -2.661 0.926 131 HG13 ILE 18 1HG1 ILE 18 -11.602 -1.778 -0.279 132 HG21 ILE 18 1HG2 ILE 18 -12.984 0.413 3.190 133 HG22 ILE 18 2HG2 ILE 18 -11.618 -0.694 3.321 134 HG23 ILE 18 3HG2 ILE 18 -13.251 -1.334 3.148 135 HD11 ILE 18 3HD1 ILE 18 -9.783 -1.519 1.358 136 HD12 ILE 18 1HD1 ILE 18 -10.164 -3.204 1.016 137 HD13 ILE 18 2HD1 ILE 18 -10.713 -2.467 2.521 138 HA PRO 19 HA PRO 19 -16.282 3.143 1.855 139 HB2 PRO 19 2HB PRO 19 -16.631 1.652 4.475 140 HB3 PRO 19 1HB PRO 19 -17.782 2.683 3.607 141 HG2 PRO 19 2HG PRO 19 -18.040 0.046 3.496 142 HG3 PRO 19 1HG PRO 19 -18.274 1.016 2.029 143 HD2 PRO 19 2HD PRO 19 -15.897 -0.651 2.836 144 HD3 PRO 19 1HD PRO 19 -16.645 -0.452 1.233 145 H ARG 20 H ARG 20 -15.226 4.889 2.650 146 HA ARG 20 HA ARG 20 -12.640 4.854 3.758 147 HB2 ARG 20 2HB ARG 20 -14.767 7.030 3.627 148 HB3 ARG 20 1HB ARG 20 -13.172 7.333 4.299 149 HG2 ARG 20 2HG ARG 20 -13.675 6.403 1.452 150 HG3 ARG 20 1HG ARG 20 -13.436 8.085 1.934 151 HD2 ARG 20 2HD ARG 20 -11.423 5.816 2.165 152 HD3 ARG 20 1HD ARG 20 -11.342 7.196 1.061 153 HE ARG 20 HE ARG 20 -11.200 7.501 4.014 154 HH11 ARG 20 1HH1 ARG 20 -9.954 8.291 0.839 155 HH12 ARG 20 2HH1 ARG 20 -8.688 9.297 1.459 156 HH21 ARG 20 1HH2 ARG 20 -9.540 8.841 4.811 157 HH22 ARG 20 2HH2 ARG 20 -8.464 9.614 3.694 158 H GLU 21 H GLU 21 -15.794 4.793 5.303 159 HA GLU 21 HA GLU 21 -15.096 5.484 7.959 160 HB2 GLU 21 2HB GLU 21 -17.232 4.402 8.592 161 HB3 GLU 21 1HB GLU 21 -17.431 5.427 7.172 162 HG2 GLU 21 2HG GLU 21 -17.353 3.415 5.723 163 HG3 GLU 21 1HG GLU 21 -17.184 2.399 7.151 164 H THR 22 H THR 22 -14.863 2.465 6.158 165 HA THR 22 HA THR 22 -13.955 0.933 8.519 166 HB THR 22 HB THR 22 -14.286 -1.090 7.032 167 HG1 THR 22 HG1 THR 22 -14.192 0.399 5.044 168 HG21 THR 22 3HG2 THR 22 -16.752 0.675 7.330 169 HG22 THR 22 1HG2 THR 22 -16.079 -0.358 8.596 170 HG23 THR 22 2HG2 THR 22 -16.747 -1.075 7.129 171 H ILE 23 H ILE 23 -12.408 2.934 6.751 172 HA ILE 23 HA ILE 23 -10.007 1.243 6.329 173 HB ILE 23 HB ILE 23 -10.666 4.075 5.378 174 HG12 ILE 23 2HG1 ILE 23 -10.128 1.492 3.849 175 HG13 ILE 23 1HG1 ILE 23 -11.696 2.269 4.039 176 HG21 ILE 23 1HG2 ILE 23 -8.433 4.137 4.300 177 HG22 ILE 23 2HG2 ILE 23 -8.021 2.604 5.063 178 HG23 ILE 23 3HG2 ILE 23 -8.297 4.035 6.057 179 HD11 ILE 23 3HD1 ILE 23 -10.783 2.667 1.846 180 HD12 ILE 23 1HD1 ILE 23 -9.331 3.385 2.540 181 HD13 ILE 23 2HD1 ILE 23 -10.896 4.179 2.742 182 H THR 24 H THR 24 -8.474 1.346 7.862 183 HA THR 24 HA THR 24 -8.182 3.702 9.619 184 HB THR 24 HB THR 24 -7.714 2.058 11.565 185 HG1 THR 24 HG1 THR 24 -9.003 0.297 9.742 186 HG21 THR 24 3HG2 THR 24 -10.584 2.168 10.573 187 HG22 THR 24 1HG2 THR 24 -9.774 3.417 11.527 188 HG23 THR 24 2HG2 THR 24 -10.069 1.826 12.226 189 HA PRO 25 HA PRO 25 -3.728 3.071 8.924 190 HB2 PRO 25 2HB PRO 25 -3.443 3.555 11.888 191 HB3 PRO 25 1HB PRO 25 -2.582 4.307 10.534 192 HG2 PRO 25 2HG PRO 25 -4.506 5.653 11.796 193 HG3 PRO 25 1HG PRO 25 -4.374 5.746 10.025 194 HD2 PRO 25 2HD PRO 25 -6.310 4.153 11.705 195 HD3 PRO 25 1HD PRO 25 -6.595 5.054 10.195 196 H GLU 26 H GLU 26 -5.351 1.492 11.634 197 HA GLU 26 HA GLU 26 -3.256 -0.406 12.212 198 HB2 GLU 26 2HB GLU 26 -4.765 -1.263 13.927 199 HB3 GLU 26 1HB GLU 26 -4.766 0.497 13.962 200 HG2 GLU 26 2HG GLU 26 -6.899 0.315 12.483 201 HG3 GLU 26 1HG GLU 26 -6.942 -1.370 13.001 202 H SER 27 H SER 27 -5.921 -0.341 9.981 203 HA SER 27 HA SER 27 -6.545 -3.140 9.997 204 HB2 SER 27 2HB SER 27 -7.856 -2.657 7.916 205 HB3 SER 27 1HB SER 27 -8.243 -1.562 9.238 206 HG SER 27 HG SER 27 -6.242 -0.631 7.628 207 H HIS 28 H HIS 28 -5.584 -4.734 9.009 208 HA HIS 28 HA HIS 28 -3.263 -4.338 7.266 209 HB2 HIS 28 2HB HIS 28 -3.277 -6.017 9.173 210 HB3 HIS 28 1HB HIS 28 -4.489 -6.946 8.297 211 HD2 HIS 28 HD2 HIS 28 -0.810 -6.864 8.743 212 HE1 HIS 28 HE1 HIS 28 -1.456 -8.743 5.033 213 HE2 HIS 28 HE2 HIS 28 0.079 -8.561 7.030 214 H ALA 29 H ALA 29 -3.419 -4.525 5.053 215 HA ALA 29 HA ALA 29 -5.773 -4.575 3.645 216 HB1 ALA 29 3HB ALA 29 -3.608 -3.845 2.707 217 HB2 ALA 29 1HB ALA 29 -4.453 -4.960 1.628 218 HB3 ALA 29 2HB ALA 29 -3.092 -5.529 2.600 219 H ILE 30 H ILE 30 -3.548 -7.413 3.954 220 HA ILE 30 HA ILE 30 -5.382 -9.189 2.625 221 HB ILE 30 HB ILE 30 -2.937 -9.909 4.306 222 HG12 ILE 30 2HG1 ILE 30 -3.174 -9.455 1.295 223 HG13 ILE 30 1HG1 ILE 30 -2.300 -8.433 2.427 224 HG21 ILE 30 1HG2 ILE 30 -2.965 -12.061 3.101 225 HG22 ILE 30 2HG2 ILE 30 -4.433 -11.579 2.250 226 HG23 ILE 30 3HG2 ILE 30 -4.466 -11.822 3.998 227 HD11 ILE 30 3HD1 ILE 30 -0.765 -9.793 1.165 228 HD12 ILE 30 1HD1 ILE 30 -1.596 -11.269 1.660 229 HD13 ILE 30 2HD1 ILE 30 -0.734 -10.294 2.855 230 H ASP 31 H ASP 31 -4.226 -9.047 5.996 231 HA ASP 31 HA ASP 31 -5.762 -11.189 6.977 232 HB2 ASP 31 2HB ASP 31 -3.757 -10.578 8.117 233 HB3 ASP 31 1HB ASP 31 -4.271 -8.910 8.315 234 H ASP 32 H ASP 32 -6.386 -7.667 7.215 235 HA ASP 32 HA ASP 32 -8.841 -8.148 8.753 236 HB2 ASP 32 2HB ASP 32 -7.237 -6.445 9.556 237 HB3 ASP 32 1HB ASP 32 -7.415 -5.548 8.053 238 H LEU 33 H LEU 33 -7.883 -6.251 5.868 239 HA LEU 33 HA LEU 33 -10.601 -5.557 5.217 240 HB2 LEU 33 2HB LEU 33 -8.018 -5.103 3.674 241 HB3 LEU 33 1HB LEU 33 -9.569 -4.372 3.280 242 HG LEU 33 HG LEU 33 -8.006 -3.866 5.855 243 HD11 LEU 33 1HD1 LEU 33 -7.502 -1.647 4.934 244 HD12 LEU 33 2HD1 LEU 33 -8.284 -2.084 3.410 245 HD13 LEU 33 3HD1 LEU 33 -6.825 -2.931 3.934 246 HD21 LEU 33 3HD2 LEU 33 -9.633 -2.042 6.245 247 HD22 LEU 33 1HD2 LEU 33 -10.418 -3.620 6.200 248 HD23 LEU 33 2HD2 LEU 33 -10.540 -2.536 4.811 249 H GLY 34 H GLY 34 -8.470 -8.156 4.327 250 HA2 GLY 34 2HA GLY 34 -9.088 -10.164 3.311 251 HA3 GLY 34 1HA GLY 34 -10.593 -9.434 2.770 252 H ILE 35 H ILE 35 -7.881 -7.554 2.057 253 HA ILE 35 HA ILE 35 -8.128 -7.832 -0.786 254 HB ILE 35 HB ILE 35 -5.928 -6.415 0.804 255 HG12 ILE 35 2HG1 ILE 35 -8.550 -5.247 -0.209 256 HG13 ILE 35 1HG1 ILE 35 -8.201 -5.626 1.473 257 HG21 ILE 35 1HG2 ILE 35 -6.853 -5.968 -2.059 258 HG22 ILE 35 2HG2 ILE 35 -5.341 -6.734 -1.563 259 HG23 ILE 35 3HG2 ILE 35 -5.621 -5.029 -1.210 260 HD11 ILE 35 3HD1 ILE 35 -7.984 -3.254 1.051 261 HD12 ILE 35 1HD1 ILE 35 -6.791 -3.551 -0.210 262 HD13 ILE 35 2HD1 ILE 35 -6.415 -3.935 1.471 263 H ASP 36 H ASP 36 -7.218 -9.498 -1.913 264 HA ASP 36 HA ASP 36 -5.043 -11.102 -0.890 265 HB2 ASP 36 2HB ASP 36 -6.446 -11.065 -3.604 266 HB3 ASP 36 1HB ASP 36 -5.248 -12.261 -3.116 267 H SER 37 H SER 37 -2.971 -11.405 -2.169 268 HA SER 37 HA SER 37 -1.652 -8.998 -2.802 269 HB2 SER 37 2HB SER 37 -0.889 -11.846 -3.565 270 HB3 SER 37 1HB SER 37 0.201 -10.453 -3.537 271 HG SER 37 HG SER 37 0.259 -10.523 -1.404 272 H LEU 38 H LEU 38 -3.751 -10.948 -4.727 273 HA LEU 38 HA LEU 38 -2.866 -9.948 -7.307 274 HB2 LEU 38 2HB LEU 38 -5.441 -11.409 -6.620 275 HB3 LEU 38 1HB LEU 38 -4.737 -11.212 -8.220 276 HG LEU 38 HG LEU 38 -3.620 -12.923 -5.953 277 HD11 LEU 38 1HD1 LEU 38 -5.616 -13.895 -6.969 278 HD12 LEU 38 2HD1 LEU 38 -4.186 -14.838 -7.375 279 HD13 LEU 38 3HD1 LEU 38 -4.898 -13.757 -8.577 280 HD21 LEU 38 3HD2 LEU 38 -2.515 -12.524 -8.758 281 HD22 LEU 38 1HD2 LEU 38 -1.928 -13.701 -7.579 282 HD23 LEU 38 2HD2 LEU 38 -1.775 -11.979 -7.251 283 H ASP 39 H ASP 39 -5.555 -9.485 -5.040 284 HA ASP 39 HA ASP 39 -7.062 -7.573 -6.504 285 HB2 ASP 39 2HB ASP 39 -7.992 -8.952 -4.637 286 HB3 ASP 39 1HB ASP 39 -6.971 -8.084 -3.492 287 H PHE 40 H PHE 40 -4.345 -7.334 -4.328 288 HA PHE 40 HA PHE 40 -4.462 -4.530 -3.806 289 HB2 PHE 40 2HB PHE 40 -3.282 -6.405 -2.414 290 HB3 PHE 40 1HB PHE 40 -1.951 -6.224 -3.542 291 HD1 PHE 40 HD1 PHE 40 -0.821 -3.887 -3.709 292 HD2 PHE 40 HD2 PHE 40 -3.502 -4.925 -0.546 293 HE1 PHE 40 HE1 PHE 40 0.056 -2.038 -2.360 294 HE2 PHE 40 HE2 PHE 40 -2.619 -3.062 0.791 295 HZ PHE 40 HZ PHE 40 -0.851 -1.626 -0.115 296 H LEU 41 H LEU 41 -3.320 -6.396 -6.512 297 HA LEU 41 HA LEU 41 -1.206 -4.811 -7.484 298 HB2 LEU 41 2HB LEU 41 -3.214 -6.567 -8.927 299 HB3 LEU 41 1HB LEU 41 -1.897 -5.777 -9.776 300 HG LEU 41 HG LEU 41 -1.459 -7.750 -7.489 301 HD11 LEU 41 1HD1 LEU 41 -0.888 -9.419 -9.198 302 HD12 LEU 41 2HD1 LEU 41 -1.365 -8.298 -10.477 303 HD13 LEU 41 3HD1 LEU 41 -2.569 -8.907 -9.337 304 HD21 LEU 41 3HD2 LEU 41 0.856 -7.818 -8.283 305 HD22 LEU 41 1HD2 LEU 41 0.399 -6.167 -7.869 306 HD23 LEU 41 2HD2 LEU 41 0.481 -6.660 -9.562 307 H ASP 42 H ASP 42 -4.694 -4.340 -7.704 308 HA ASP 42 HA ASP 42 -4.752 -2.245 -9.650 309 HB2 ASP 42 2HB ASP 42 -6.682 -3.798 -8.683 310 HB3 ASP 42 1HB ASP 42 -6.849 -2.557 -7.465 311 H ILE 43 H ILE 43 -4.674 -2.394 -6.122 312 HA ILE 43 HA ILE 43 -4.821 0.338 -5.451 313 HB ILE 43 HB ILE 43 -3.405 -1.935 -3.971 314 HG12 ILE 43 2HG1 ILE 43 -6.243 -0.861 -3.647 315 HG13 ILE 43 1HG1 ILE 43 -5.808 -2.405 -4.368 316 HG21 ILE 43 1HG2 ILE 43 -2.613 0.230 -3.130 317 HG22 ILE 43 2HG2 ILE 43 -3.615 -0.570 -1.922 318 HG23 ILE 43 3HG2 ILE 43 -4.277 0.762 -2.870 319 HD11 ILE 43 3HD1 ILE 43 -6.648 -2.704 -2.133 320 HD12 ILE 43 1HD1 ILE 43 -5.425 -1.611 -1.484 321 HD13 ILE 43 2HD1 ILE 43 -4.945 -3.152 -2.200 322 H ALA 44 H ALA 44 -2.020 -1.798 -5.889 323 HA ALA 44 HA ALA 44 0.067 0.009 -5.393 324 HB1 ALA 44 3HB ALA 44 0.348 -2.447 -5.414 325 HB2 ALA 44 1HB ALA 44 1.505 -1.665 -6.497 326 HB3 ALA 44 2HB ALA 44 0.075 -2.468 -7.158 327 H PHE 45 H PHE 45 -1.598 -0.906 -8.369 328 HA PHE 45 HA PHE 45 0.033 0.475 -10.215 329 HB2 PHE 45 2HB PHE 45 -1.742 -1.384 -10.627 330 HB3 PHE 45 1HB PHE 45 -2.924 -0.083 -10.672 331 HD1 PHE 45 HD2 PHE 45 0.359 -1.065 -12.198 332 HD2 PHE 45 HD1 PHE 45 -3.413 0.872 -12.792 333 HE1 PHE 45 HE2 PHE 45 0.884 -0.768 -14.576 334 HE2 PHE 45 HE1 PHE 45 -2.885 1.145 -15.177 335 HZ PHE 45 HZ PHE 45 -0.735 0.335 -16.074 336 H ALA 46 H ALA 46 -2.868 1.477 -8.457 337 HA ALA 46 HA ALA 46 -3.156 4.043 -9.727 338 HB1 ALA 46 3HB ALA 46 -4.802 4.496 -7.946 339 HB2 ALA 46 1HB ALA 46 -4.284 3.035 -7.100 340 HB3 ALA 46 2HB ALA 46 -5.069 2.909 -8.672 341 H ILE 47 H ILE 47 -1.380 2.844 -6.929 342 HA ILE 47 HA ILE 47 -0.717 5.377 -5.756 343 HB ILE 47 HB ILE 47 0.440 2.578 -5.455 344 HG12 ILE 47 2HG1 ILE 47 -1.108 4.301 -3.473 345 HG13 ILE 47 1HG1 ILE 47 -1.855 3.126 -4.542 346 HG21 ILE 47 1HG2 ILE 47 2.321 4.101 -5.026 347 HG22 ILE 47 2HG2 ILE 47 1.783 3.350 -3.527 348 HG23 ILE 47 3HG2 ILE 47 1.343 5.019 -3.879 349 HD11 ILE 47 3HD1 ILE 47 -1.597 2.297 -2.272 350 HD12 ILE 47 1HD1 ILE 47 0.148 2.487 -2.393 351 HD13 ILE 47 2HD1 ILE 47 -0.683 1.323 -3.425 352 H ASP 48 H ASP 48 0.944 3.203 -8.029 353 HA ASP 48 HA ASP 48 3.265 4.606 -8.595 354 HB2 ASP 48 2HB ASP 48 1.496 2.821 -10.297 355 HB3 ASP 48 1HB ASP 48 2.872 3.637 -11.037 356 H LYS 49 H LYS 49 -0.008 5.293 -9.689 357 HA LYS 49 HA LYS 49 0.777 7.362 -11.573 358 HB2 LYS 49 2HB LYS 49 -1.972 6.567 -10.537 359 HB3 LYS 49 1HB LYS 49 -1.661 7.670 -11.880 360 HG2 LYS 49 2HG LYS 49 -0.599 5.825 -13.137 361 HG3 LYS 49 1HG LYS 49 -0.933 4.726 -11.792 362 HD2 LYS 49 2HD LYS 49 -3.366 5.090 -12.107 363 HD3 LYS 49 1HD LYS 49 -3.032 6.186 -13.449 364 HE2 LYS 49 2HE LYS 49 -1.937 4.302 -14.666 365 HE3 LYS 49 1HE LYS 49 -2.385 3.223 -13.344 366 HZ1 LYS 49 3HZ LYS 49 -4.232 4.708 -15.124 367 HZ2 LYS 49 1HZ LYS 49 -4.723 3.792 -13.789 368 HZ3 LYS 49 2HZ LYS 49 -3.966 3.043 -15.101 369 H ALA 50 H ALA 50 -0.890 7.214 -8.440 370 HA ALA 50 HA ALA 50 -1.657 9.921 -8.252 371 HB1 ALA 50 3HB ALA 50 -2.758 8.120 -6.976 372 HB2 ALA 50 1HB ALA 50 -2.205 9.409 -5.903 373 HB3 ALA 50 2HB ALA 50 -1.299 7.896 -6.009 374 H PHE 51 H PHE 51 1.006 8.160 -6.688 375 HA PHE 51 HA PHE 51 2.235 10.609 -5.673 376 HB2 PHE 51 2HB PHE 51 3.153 7.705 -5.479 377 HB3 PHE 51 1HB PHE 51 3.875 9.064 -4.628 378 HD1 PHE 51 HD1 PHE 51 0.803 6.972 -4.874 379 HD2 PHE 51 HD2 PHE 51 2.922 9.881 -2.561 380 HE1 PHE 51 HE1 PHE 51 -0.738 6.613 -3.000 381 HE2 PHE 51 HE2 PHE 51 1.371 9.506 -0.694 382 HZ PHE 51 HZ PHE 51 -0.454 7.874 -0.910 383 H GLY 52 H GLY 52 2.386 8.733 -8.522 384 HA2 GLY 52 2HA GLY 52 3.629 8.959 -10.449 385 HA3 GLY 52 1HA GLY 52 4.489 10.299 -9.707 386 H ILE 53 H ILE 53 4.475 7.424 -7.882 387 HA ILE 53 HA ILE 53 7.370 7.096 -8.294 388 HB ILE 53 HB ILE 53 7.349 5.876 -6.126 389 HG12 ILE 53 2HG1 ILE 53 4.340 6.475 -6.061 390 HG13 ILE 53 1HG1 ILE 53 5.058 4.890 -6.306 391 HG21 ILE 53 1HG2 ILE 53 5.950 8.573 -5.971 392 HG22 ILE 53 2HG2 ILE 53 7.690 8.310 -6.115 393 HG23 ILE 53 3HG2 ILE 53 6.840 7.790 -4.662 394 HD11 ILE 53 3HD1 ILE 53 4.227 5.169 -4.046 395 HD12 ILE 53 1HD1 ILE 53 5.299 6.545 -3.798 396 HD13 ILE 53 2HD1 ILE 53 5.972 4.933 -4.052 397 H LYS 54 H LYS 54 7.931 4.650 -7.584 398 HA LYS 54 HA LYS 54 6.214 2.746 -9.055 399 HB2 LYS 54 2HB LYS 54 8.474 2.934 -10.031 400 HB3 LYS 54 1HB LYS 54 9.202 2.628 -8.461 401 HG2 LYS 54 2HG LYS 54 8.241 0.341 -8.469 402 HG3 LYS 54 1HG LYS 54 7.522 0.656 -10.052 403 HD2 LYS 54 2HD LYS 54 9.763 0.941 -11.034 404 HD3 LYS 54 1HD LYS 54 10.508 0.705 -9.449 405 HE2 LYS 54 2HE LYS 54 9.575 -1.605 -9.387 406 HE3 LYS 54 1HE LYS 54 8.913 -1.362 -11.006 407 HZ1 LYS 54 3HZ LYS 54 11.787 -1.252 -10.281 408 HZ2 LYS 54 1HZ LYS 54 11.148 -1.040 -11.832 409 HZ3 LYS 54 2HZ LYS 54 11.012 -2.537 -11.058 410 H LEU 55 H LEU 55 4.933 1.774 -7.557 411 HA LEU 55 HA LEU 55 6.146 0.738 -5.068 412 HB2 LEU 55 2HB LEU 55 3.889 1.930 -4.995 413 HB3 LEU 55 1HB LEU 55 3.215 0.599 -5.920 414 HG LEU 55 HG LEU 55 4.532 0.171 -3.201 415 HD11 LEU 55 1HD1 LEU 55 2.324 0.187 -2.168 416 HD12 LEU 55 2HD1 LEU 55 1.589 0.664 -3.704 417 HD13 LEU 55 3HD1 LEU 55 2.713 1.752 -2.881 418 HD21 LEU 55 3HD2 LEU 55 4.258 -1.898 -4.496 419 HD22 LEU 55 1HD2 LEU 55 2.540 -1.565 -4.701 420 HD23 LEU 55 2HD2 LEU 55 3.191 -1.898 -3.095 421 HA PRO 56 HA PRO 56 6.390 -2.970 -7.775 422 HB2 PRO 56 2HB PRO 56 8.714 -3.979 -6.821 423 HB3 PRO 56 1HB PRO 56 8.692 -2.609 -7.946 424 HG2 PRO 56 2HG PRO 56 9.113 -2.623 -4.969 425 HG3 PRO 56 1HG PRO 56 9.897 -1.619 -6.205 426 HD2 PRO 56 2HD PRO 56 7.752 -0.822 -4.573 427 HD3 PRO 56 1HD PRO 56 8.237 -0.026 -6.088 428 H LEU 57 H LEU 57 4.485 -3.650 -6.723 429 HA LEU 57 HA LEU 57 4.338 -4.653 -4.066 430 HB2 LEU 57 2HB LEU 57 2.316 -3.882 -5.226 431 HB3 LEU 57 1HB LEU 57 2.491 -5.153 -6.426 432 HG LEU 57 HG LEU 57 2.167 -6.867 -4.598 433 HD11 LEU 57 1HD1 LEU 57 2.874 -5.565 -2.672 434 HD12 LEU 57 2HD1 LEU 57 1.242 -6.183 -2.435 435 HD13 LEU 57 3HD1 LEU 57 1.487 -4.486 -2.855 436 HD21 LEU 57 3HD2 LEU 57 -0.258 -6.581 -4.408 437 HD22 LEU 57 1HD2 LEU 57 0.321 -6.270 -6.041 438 HD23 LEU 57 2HD2 LEU 57 -0.111 -4.922 -4.992 439 H GLU 58 H GLU 58 4.844 -6.174 -7.205 440 HA GLU 58 HA GLU 58 4.553 -8.890 -6.446 441 HB2 GLU 58 2HB GLU 58 5.689 -9.359 -8.630 442 HB3 GLU 58 1HB GLU 58 4.360 -8.208 -8.762 443 HG2 GLU 58 2HG GLU 58 6.133 -6.356 -8.649 444 HG3 GLU 58 1HG GLU 58 7.335 -7.626 -8.872 445 H LYS 59 H LYS 59 7.271 -6.689 -6.407 446 HA LYS 59 HA LYS 59 9.375 -8.431 -5.668 447 HB2 LYS 59 2HB LYS 59 9.959 -6.260 -6.464 448 HB3 LYS 59 1HB LYS 59 8.825 -5.457 -5.390 449 HG2 LYS 59 2HG LYS 59 10.302 -6.027 -3.466 450 HG3 LYS 59 1HG LYS 59 11.462 -6.737 -4.595 451 HD2 LYS 59 2HD LYS 59 11.931 -4.617 -5.604 452 HD3 LYS 59 1HD LYS 59 10.527 -3.861 -4.854 453 HE2 LYS 59 2HE LYS 59 12.563 -3.121 -3.743 454 HE3 LYS 59 1HE LYS 59 11.595 -4.091 -2.636 455 HZ1 LYS 59 3HZ LYS 59 13.047 -5.984 -3.167 456 HZ2 LYS 59 1HZ LYS 59 13.882 -4.703 -2.449 457 HZ3 LYS 59 2HZ LYS 59 14.016 -4.972 -4.109 458 H TRP 60 H TRP 60 7.127 -6.429 -3.771 459 HA TRP 60 HA TRP 60 8.056 -7.062 -1.178 460 HB2 TRP 60 2HB TRP 60 5.339 -6.060 -2.124 461 HB3 TRP 60 1HB TRP 60 5.798 -6.171 -0.427 462 HD1 TRP 60 HD1 TRP 60 8.817 -4.996 -2.127 463 HE1 TRP 60 HE1 TRP 60 9.035 -2.451 -1.973 464 HE3 TRP 60 HE3 TRP 60 4.052 -3.842 -0.643 465 HZ2 TRP 60 HZ2 TRP 60 7.447 -0.235 -1.288 466 HZ3 TRP 60 HZ3 TRP 60 3.490 -1.480 -0.246 467 HH2 TRP 60 HH2 TRP 60 5.153 0.288 -0.560 468 H THR 61 H THR 61 5.415 -8.436 -3.121 469 HA THR 61 HA THR 61 4.368 -10.321 -1.419 470 HB THR 61 HB THR 61 4.573 -10.342 -4.465 471 HG1 THR 61 HG1 THR 61 2.896 -9.082 -2.620 472 HG21 THR 61 3HG2 THR 61 3.998 -12.607 -3.662 473 HG22 THR 61 1HG2 THR 61 2.608 -11.847 -4.448 474 HG23 THR 61 2HG2 THR 61 2.689 -11.935 -2.688 475 H GLN 62 H GLN 62 7.031 -10.640 -3.768 476 HA GLN 62 HA GLN 62 7.487 -13.405 -3.419 477 HB2 GLN 62 2HB GLN 62 8.260 -12.184 -5.419 478 HB3 GLN 62 1HB GLN 62 9.371 -11.237 -4.436 479 HG2 GLN 62 2HG GLN 62 10.512 -13.033 -5.695 480 HG3 GLN 62 1HG GLN 62 10.712 -13.214 -3.957 481 HE21 GLN 62 1HE2 GLN 62 9.829 -15.040 -2.931 482 HE22 GLN 62 2HE2 GLN 62 9.123 -16.359 -3.797 483 H GLU 63 H GLU 63 8.947 -10.537 -1.886 484 HA GLU 63 HA GLU 63 10.952 -12.048 -0.473 485 HB2 GLU 63 2HB GLU 63 10.114 -9.129 -0.311 486 HB3 GLU 63 1HB GLU 63 11.415 -9.823 0.668 487 HG2 GLU 63 2HG GLU 63 12.598 -10.496 -1.403 488 HG3 GLU 63 1HG GLU 63 11.314 -9.753 -2.363 489 H VAL 64 H VAL 64 7.713 -10.920 0.336 490 HA VAL 64 HA VAL 64 7.891 -11.612 3.126 491 HB VAL 64 HB VAL 64 5.424 -11.314 1.354 492 HG11 VAL 64 1HG1 VAL 64 5.600 -11.637 4.382 493 HG12 VAL 64 2HG1 VAL 64 4.878 -12.787 3.253 494 HG13 VAL 64 3HG1 VAL 64 4.142 -11.207 3.494 495 HG21 VAL 64 3HG2 VAL 64 6.675 -9.209 1.663 496 HG22 VAL 64 1HG2 VAL 64 6.642 -9.426 3.415 497 HG23 VAL 64 2HG2 VAL 64 5.140 -9.147 2.528 498 H ASN 65 H ASN 65 6.769 -13.266 0.186 499 HA ASN 65 HA ASN 65 6.125 -15.759 1.410 500 HB2 ASN 65 2HB ASN 65 6.716 -15.043 -1.490 501 HB3 ASN 65 1HB ASN 65 6.183 -16.642 -0.982 502 HD21 ASN 65 1HD2 ASN 65 4.875 -14.799 -2.796 503 HD22 ASN 65 2HD2 ASN 65 3.315 -14.474 -2.131 504 H ASP 66 H ASP 66 9.145 -14.336 0.556 505 HA ASP 66 HA ASP 66 10.638 -16.867 0.572 506 HB2 ASP 66 2HB ASP 66 11.004 -14.888 -1.111 507 HB3 ASP 66 1HB ASP 66 11.772 -14.046 0.228 508 H GLY 67 H GLY 67 9.505 -14.572 2.752 509 HA2 GLY 67 2HA GLY 67 9.700 -14.564 5.060 510 HA3 GLY 67 1HA GLY 67 11.007 -15.725 4.946 511 H LYS 68 H LYS 68 11.550 -13.042 2.957 512 HA LYS 68 HA LYS 68 13.687 -11.975 4.603 513 HB2 LYS 68 2HB LYS 68 12.607 -10.838 1.980 514 HB3 LYS 68 1HB LYS 68 14.207 -10.583 2.680 515 HG2 LYS 68 2HG LYS 68 13.146 -13.236 1.651 516 HG3 LYS 68 1HG LYS 68 14.198 -12.147 0.743 517 HD2 LYS 68 2HD LYS 68 14.998 -13.328 3.429 518 HD3 LYS 68 1HD LYS 68 15.304 -14.164 1.906 519 HE2 LYS 68 2HE LYS 68 16.350 -11.399 2.630 520 HE3 LYS 68 1HE LYS 68 17.282 -12.898 2.685 521 HZ1 LYS 68 3HZ LYS 68 16.024 -11.807 0.218 522 HZ2 LYS 68 1HZ LYS 68 17.051 -13.145 0.321 523 HZ3 LYS 68 2HZ LYS 68 17.646 -11.597 0.641 524 H ALA 69 H ALA 69 10.359 -11.342 4.204 525 HA ALA 69 HA ALA 69 10.402 -9.054 5.992 526 HB1 ALA 69 3HB ALA 69 9.172 -8.811 3.209 527 HB2 ALA 69 1HB ALA 69 10.616 -7.966 3.773 528 HB3 ALA 69 2HB ALA 69 9.049 -7.611 4.499 529 H THR 70 H THR 70 8.144 -8.448 6.612 530 HA THR 70 HA THR 70 6.283 -10.765 6.536 531 HB THR 70 HB THR 70 7.049 -10.303 8.822 532 HG1 THR 70 HG1 THR 70 5.078 -10.776 9.391 533 HG21 THR 70 3HG2 THR 70 5.905 -7.505 8.497 534 HG22 THR 70 1HG2 THR 70 7.615 -7.905 8.658 535 HG23 THR 70 2HG2 THR 70 6.510 -8.200 10.000 536 H THR 71 H THR 71 4.018 -10.312 6.386 537 HA THR 71 HA THR 71 3.249 -8.414 4.446 538 HB THR 71 HB THR 71 0.852 -9.011 5.132 539 HG1 THR 71 HG1 THR 71 0.833 -10.947 6.566 540 HG21 THR 71 3HG2 THR 71 2.615 -11.408 4.552 541 HG22 THR 71 1HG2 THR 71 1.994 -10.287 3.334 542 HG23 THR 71 2HG2 THR 71 0.878 -11.287 4.269 543 H GLU 72 H GLU 72 3.196 -8.328 8.004 544 HA GLU 72 HA GLU 72 1.518 -6.128 8.410 545 HB2 GLU 72 2HB GLU 72 2.337 -7.573 10.251 546 HB3 GLU 72 1HB GLU 72 3.954 -6.906 10.070 547 HG2 GLU 72 2HG GLU 72 3.128 -4.682 10.739 548 HG3 GLU 72 1HG GLU 72 1.492 -5.317 10.864 549 H GLN 73 H GLN 73 5.017 -6.198 7.740 550 HA GLN 73 HA GLN 73 5.690 -3.517 8.183 551 HB2 GLN 73 2HB GLN 73 7.362 -5.303 7.866 552 HB3 GLN 73 1HB GLN 73 6.893 -5.477 6.176 553 HG2 GLN 73 2HG GLN 73 7.724 -3.221 5.684 554 HG3 GLN 73 1HG GLN 73 8.102 -2.958 7.384 555 HE21 GLN 73 1HE2 GLN 73 9.084 -4.566 4.441 556 HE22 GLN 73 2HE2 GLN 73 10.654 -5.028 4.982 557 H TYR 74 H TYR 74 4.193 -5.051 5.407 558 HA TYR 74 HA TYR 74 4.160 -2.503 3.912 559 HB2 TYR 74 2HB TYR 74 3.413 -5.285 2.903 560 HB3 TYR 74 1HB TYR 74 3.615 -3.826 1.934 561 HD1 TYR 74 HD1 TYR 74 6.056 -2.667 2.288 562 HD2 TYR 74 HD2 TYR 74 5.202 -6.811 2.834 563 HE1 TYR 74 HE1 TYR 74 8.419 -3.199 1.908 564 HE2 TYR 74 HE2 TYR 74 7.568 -7.339 2.451 565 HH TYR 74 HH TYR 74 9.527 -6.320 1.308 566 H PHE 75 H PHE 75 1.857 -5.236 4.145 567 HA PHE 75 HA PHE 75 -0.213 -3.770 3.037 568 HB2 PHE 75 2HB PHE 75 -0.248 -6.392 4.564 569 HB3 PHE 75 1HB PHE 75 -1.625 -5.772 3.662 570 HD1 PHE 75 HD1 PHE 75 1.857 -7.072 3.326 571 HD2 PHE 75 HD2 PHE 75 -1.721 -5.974 1.260 572 HE1 PHE 75 HE1 PHE 75 2.729 -8.091 1.266 573 HE2 PHE 75 HE2 PHE 75 -0.840 -6.989 -0.800 574 HZ PHE 75 HZ PHE 75 1.386 -8.045 -0.801 575 H VAL 76 H VAL 76 0.489 -4.035 6.549 576 HA VAL 76 HA VAL 76 -2.035 -2.998 7.429 577 HB VAL 76 HB VAL 76 0.695 -2.628 8.745 578 HG11 VAL 76 1HG1 VAL 76 -0.853 -0.875 9.493 579 HG12 VAL 76 2HG1 VAL 76 -0.558 -2.021 10.800 580 HG13 VAL 76 3HG1 VAL 76 -2.073 -2.090 9.894 581 HG21 VAL 76 3HG2 VAL 76 -0.013 -4.406 10.303 582 HG22 VAL 76 1HG2 VAL 76 0.027 -4.998 8.640 583 HG23 VAL 76 2HG2 VAL 76 -1.517 -4.607 9.400 584 H LEU 77 H LEU 77 -2.796 -0.860 7.365 585 HA LEU 77 HA LEU 77 -1.815 0.481 5.076 586 HB2 LEU 77 2HB LEU 77 -3.880 1.532 7.027 587 HB3 LEU 77 1HB LEU 77 -3.610 2.104 5.389 588 HG LEU 77 HG LEU 77 -4.949 -0.437 6.321 589 HD11 LEU 77 1HD1 LEU 77 -5.733 1.637 4.258 590 HD12 LEU 77 2HD1 LEU 77 -6.344 1.509 5.912 591 HD13 LEU 77 3HD1 LEU 77 -6.692 0.233 4.747 592 HD21 LEU 77 3HD2 LEU 77 -3.324 -1.311 4.765 593 HD22 LEU 77 1HD2 LEU 77 -3.744 -0.093 3.559 594 HD23 LEU 77 2HD2 LEU 77 -4.912 -1.339 4.007 595 H LYS 78 H LYS 78 -1.458 1.330 8.518 596 HA LYS 78 HA LYS 78 -0.220 3.855 8.193 597 HB2 LYS 78 2HB LYS 78 0.649 3.563 10.506 598 HB3 LYS 78 1HB LYS 78 -1.047 3.110 10.392 599 HG2 LYS 78 2HG LYS 78 -0.397 0.716 10.310 600 HG3 LYS 78 1HG LYS 78 1.297 1.182 10.472 601 HD2 LYS 78 2HD LYS 78 0.814 2.136 12.712 602 HD3 LYS 78 1HD LYS 78 -0.885 1.678 12.541 603 HE2 LYS 78 2HE LYS 78 -0.185 -0.719 12.390 604 HE3 LYS 78 1HE LYS 78 1.491 -0.225 12.640 605 HZ1 LYS 78 3HZ LYS 78 0.528 -0.977 14.691 606 HZ2 LYS 78 1HZ LYS 78 -0.748 0.129 14.557 607 HZ3 LYS 78 2HZ LYS 78 0.829 0.683 14.792 608 H ASN 79 H ASN 79 1.132 0.579 8.229 609 HA ASN 79 HA ASN 79 3.902 1.362 8.176 610 HB2 ASN 79 2HB ASN 79 2.582 -1.344 7.643 611 HB3 ASN 79 1HB ASN 79 4.313 -1.086 7.875 612 HD21 ASN 79 1HD2 ASN 79 2.437 -2.721 9.429 613 HD22 ASN 79 2HD2 ASN 79 2.552 -2.154 11.054 614 H LEU 80 H LEU 80 1.609 0.057 5.843 615 HA LEU 80 HA LEU 80 2.925 0.090 3.450 616 HB2 LEU 80 2HB LEU 80 0.597 -0.702 3.850 617 HB3 LEU 80 1HB LEU 80 0.065 0.957 4.058 618 HG LEU 80 HG LEU 80 0.581 1.411 1.662 619 HD11 LEU 80 1HD1 LEU 80 1.238 -1.546 1.464 620 HD12 LEU 80 2HD1 LEU 80 2.376 -0.205 1.286 621 HD13 LEU 80 3HD1 LEU 80 1.083 -0.420 0.110 622 HD21 LEU 80 3HD2 LEU 80 -1.280 -0.951 2.092 623 HD22 LEU 80 1HD2 LEU 80 -1.311 0.168 0.727 624 HD23 LEU 80 2HD2 LEU 80 -1.689 0.749 2.346 625 H ALA 81 H ALA 81 1.261 2.766 5.075 626 HA ALA 81 HA ALA 81 1.755 4.781 3.138 627 HB1 ALA 81 3HB ALA 81 1.063 6.368 4.887 628 HB2 ALA 81 1HB ALA 81 1.198 5.092 6.105 629 HB3 ALA 81 2HB ALA 81 -0.017 4.972 4.831 630 H ALA 82 H ALA 82 3.665 3.529 5.800 631 HA ALA 82 HA ALA 82 5.647 5.631 5.837 632 HB1 ALA 82 3HB ALA 82 5.773 2.817 6.998 633 HB2 ALA 82 1HB ALA 82 5.194 4.253 7.847 634 HB3 ALA 82 2HB ALA 82 6.884 4.139 7.358 635 H ARG 83 H ARG 83 5.484 2.311 4.501 636 HA ARG 83 HA ARG 83 7.926 2.116 3.180 637 HB2 ARG 83 2HB ARG 83 5.184 1.022 2.390 638 HB3 ARG 83 1HB ARG 83 6.680 0.548 1.590 639 HG2 ARG 83 2HG ARG 83 6.022 0.076 4.517 640 HG3 ARG 83 1HG ARG 83 5.934 -1.129 3.225 641 HD2 ARG 83 2HD ARG 83 8.421 0.279 4.253 642 HD3 ARG 83 1HD ARG 83 8.018 -1.427 4.435 643 HE ARG 83 HE ARG 83 8.114 -1.368 1.832 644 HH11 ARG 83 1HH1 ARG 83 10.296 0.399 3.955 645 HH12 ARG 83 2HH1 ARG 83 11.598 0.393 2.807 646 HH21 ARG 83 1HH2 ARG 83 9.849 -1.364 0.352 647 HH22 ARG 83 2HH2 ARG 83 11.349 -0.613 0.785 648 H ILE 84 H ILE 84 4.857 3.355 1.963 649 HA ILE 84 HA ILE 84 5.759 4.101 -0.627 650 HB ILE 84 HB ILE 84 3.278 4.943 0.921 651 HG12 ILE 84 2HG1 ILE 84 3.586 2.887 -1.312 652 HG13 ILE 84 1HG1 ILE 84 3.536 2.492 0.402 653 HG21 ILE 84 1HG2 ILE 84 3.728 6.629 -0.815 654 HG22 ILE 84 2HG2 ILE 84 2.294 5.686 -1.216 655 HG23 ILE 84 3HG2 ILE 84 3.818 5.362 -2.040 656 HD11 ILE 84 3HD1 ILE 84 1.414 2.084 -0.687 657 HD12 ILE 84 1HD1 ILE 84 1.306 3.778 -1.164 658 HD13 ILE 84 2HD1 ILE 84 1.262 3.334 0.546 659 H ASP 85 H ASP 85 5.243 5.970 2.384 660 HA ASP 85 HA ASP 85 6.154 8.450 1.557 661 HB2 ASP 85 2HB ASP 85 5.177 7.921 3.811 662 HB3 ASP 85 1HB ASP 85 6.715 7.206 4.280 663 H GLU 86 H GLU 86 8.094 5.602 2.476 664 HA GLU 86 HA GLU 86 10.626 6.880 2.280 665 HB2 GLU 86 2HB GLU 86 10.140 4.708 3.489 666 HB3 GLU 86 1HB GLU 86 9.993 3.924 1.922 667 HG2 GLU 86 2HG GLU 86 12.347 4.550 1.415 668 HG3 GLU 86 1HG GLU 86 12.477 5.264 3.019 669 H LEU 87 H LEU 87 8.640 5.000 -0.049 670 HA LEU 87 HA LEU 87 10.382 5.010 -2.258 671 HB2 LEU 87 2HB LEU 87 7.333 5.119 -2.401 672 HB3 LEU 87 1HB LEU 87 8.414 4.560 -3.668 673 HG LEU 87 HG LEU 87 7.893 3.178 -1.011 674 HD11 LEU 87 1HD1 LEU 87 6.835 1.421 -2.333 675 HD12 LEU 87 2HD1 LEU 87 7.100 2.346 -3.813 676 HD13 LEU 87 3HD1 LEU 87 6.028 2.971 -2.556 677 HD21 LEU 87 3HD2 LEU 87 9.292 1.329 -1.819 678 HD22 LEU 87 1HD2 LEU 87 10.216 2.819 -1.636 679 HD23 LEU 87 2HD2 LEU 87 9.732 2.276 -3.245 680 H VAL 88 H VAL 88 7.927 7.433 -1.305 681 HA VAL 88 HA VAL 88 8.350 9.154 -3.580 682 HB VAL 88 HB VAL 88 6.893 10.784 -2.569 683 HG11 VAL 88 1HG1 VAL 88 4.842 9.483 -2.106 684 HG12 VAL 88 2HG1 VAL 88 5.810 8.019 -1.936 685 HG13 VAL 88 3HG1 VAL 88 5.727 8.844 -3.490 686 HG21 VAL 88 3HG2 VAL 88 7.781 10.841 -0.271 687 HG22 VAL 88 1HG2 VAL 88 7.056 9.272 0.069 688 HG23 VAL 88 2HG2 VAL 88 6.027 10.670 -0.253 689 H ALA 89 H ALA 89 9.786 8.831 -0.420 690 HA ALA 89 HA ALA 89 11.266 11.291 -0.404 691 HB1 ALA 89 3HB ALA 89 12.502 10.280 1.469 692 HB2 ALA 89 1HB ALA 89 11.769 8.712 1.117 693 HB3 ALA 89 2HB ALA 89 10.764 10.048 1.676 694 H ALA 90 H ALA 90 11.948 7.926 -1.390 695 HA ALA 90 HA ALA 90 14.567 8.152 -2.201 696 HB1 ALA 90 3HB ALA 90 13.371 6.016 -2.028 697 HB2 ALA 90 1HB ALA 90 14.157 6.181 -3.602 698 HB3 ALA 90 2HB ALA 90 12.415 6.428 -3.452 699 H LYS 91 H LYS 91 11.633 8.857 -4.184 700 HA LYS 91 HA LYS 91 13.162 9.720 -6.464 701 HB2 LYS 91 2HB LYS 91 11.163 10.227 -7.532 702 HB3 LYS 91 1HB LYS 91 10.597 9.051 -6.355 703 HG2 LYS 91 2HG LYS 91 9.696 10.820 -4.946 704 HG3 LYS 91 1HG LYS 91 10.407 12.059 -5.984 705 HD2 LYS 91 2HD LYS 91 8.936 11.065 -7.878 706 HD3 LYS 91 1HD LYS 91 8.078 10.204 -6.594 707 HE2 LYS 91 2HE LYS 91 6.915 12.291 -7.143 708 HE3 LYS 91 1HE LYS 91 7.566 12.377 -5.504 709 HZ1 LYS 91 3HZ LYS 91 8.814 13.570 -7.924 710 HZ2 LYS 91 1HZ LYS 91 9.438 13.662 -6.358 711 HZ3 LYS 91 2HZ LYS 91 7.971 14.416 -6.733 712 H GLY 92 H GLY 92 11.761 11.308 -3.648 713 HA2 GLY 92 2HA GLY 92 12.547 13.973 -4.148 714 HA3 GLY 92 1HA GLY 92 12.177 13.275 -2.581 715 H ALA 93 H ALA 93 14.441 11.237 -3.278 716 HA ALA 93 HA ALA 93 16.632 12.617 -2.051 717 HB1 ALA 93 3HB ALA 93 17.933 10.581 -2.499 718 HB2 ALA 93 1HB ALA 93 16.656 9.981 -3.563 719 HB3 ALA 93 2HB ALA 93 16.349 10.172 -1.837 720 H LEU 94 H LEU 94 15.708 11.811 -5.361 721 HA LEU 94 HA LEU 94 18.027 12.893 -6.666 722 HB2 LEU 94 2HB LEU 94 15.254 12.373 -7.824 723 HB3 LEU 94 1HB LEU 94 16.750 12.570 -8.730 724 HG LEU 94 HG LEU 94 16.076 10.253 -6.869 725 HD11 LEU 94 1HD1 LEU 94 16.040 8.880 -8.885 726 HD12 LEU 94 2HD1 LEU 94 16.346 10.302 -9.889 727 HD13 LEU 94 3HD1 LEU 94 14.842 10.170 -8.971 728 HD21 LEU 94 3HD2 LEU 94 18.182 9.225 -7.607 729 HD22 LEU 94 1HD2 LEU 94 18.470 10.745 -6.763 730 HD23 LEU 94 2HD2 LEU 94 18.588 10.679 -8.524 731 H GLU 95 H GLU 95 14.827 14.218 -5.702 732 HA GLU 95 HA GLU 95 15.334 16.886 -6.586 733 HB2 GLU 95 2HB GLU 95 13.548 15.773 -4.396 734 HB3 GLU 95 1HB GLU 95 13.745 17.505 -4.594 735 HG2 GLU 95 2HG GLU 95 11.729 16.949 -5.686 736 HG3 GLU 95 1HG GLU 95 12.894 17.243 -6.969 737 H HIS 96 H HIS 96 17.255 17.791 -6.095 738 HA HIS 96 HA HIS 96 18.925 17.000 -3.976 739 HB2 HIS 96 2HB HIS 96 20.404 18.855 -4.616 740 HB3 HIS 96 1HB HIS 96 19.809 18.016 -6.038 741 HD1 HIS 96 HD1 HIS 96 19.675 21.300 -4.274 742 HD2 HIS 96 HD2 HIS 96 18.123 19.564 -7.718 743 HE1 HIS 96 HE1 HIS 96 18.752 23.205 -5.628 744 HE2 HIS 96 HE2 HIS 96 17.692 22.112 -7.634 745 H HIS 97 H HIS 97 19.128 17.618 -1.909 746 HA HIS 97 HA HIS 97 17.166 19.181 -0.608 747 HB2 HIS 97 2HB HIS 97 18.611 18.905 1.455 748 HB3 HIS 97 1HB HIS 97 18.165 17.405 0.667 749 HD1 HIS 97 HD1 HIS 97 20.048 15.950 -0.275 750 HD2 HIS 97 HD2 HIS 97 21.388 19.532 1.343 751 HE1 HIS 97 HE1 HIS 97 22.543 15.715 -0.084 752 HE2 HIS 97 HE2 HIS 97 23.340 17.968 0.704 753 H HIS 98 H HIS 98 17.012 21.287 -0.338 754 HA HIS 98 HA HIS 98 19.313 23.084 -0.869 755 HB2 HIS 98 2HB HIS 98 17.632 24.605 -2.018 756 HB3 HIS 98 1HB HIS 98 17.949 23.098 -2.861 757 HD1 HIS 98 HD1 HIS 98 15.259 25.022 -1.180 758 HD2 HIS 98 HD2 HIS 98 15.750 21.298 -2.944 759 HE1 HIS 98 HE1 HIS 98 12.941 24.090 -1.438 760 HE2 HIS 98 HE2 HIS 98 13.282 21.776 -2.365 761 H HIS 99 H HIS 99 18.354 22.116 1.633 762 HA HIS 99 HA HIS 99 17.569 22.602 3.665 763 HB2 HIS 99 2HB HIS 99 18.672 24.560 4.764 764 HB3 HIS 99 1HB HIS 99 19.764 23.520 3.866 765 HD1 HIS 99 HD1 HIS 99 18.264 26.958 3.848 766 HD2 HIS 99 HD2 HIS 99 21.134 24.794 1.766 767 HE1 HIS 99 HE1 HIS 99 19.502 28.651 2.464 768 HE2 HIS 99 HE2 HIS 99 21.122 27.287 1.089 769 H HIS 100 H HIS 100 15.388 22.632 2.965 770 HA HIS 100 HA HIS 100 13.989 25.237 3.157 771 HB2 HIS 100 2HB HIS 100 13.395 23.750 1.236 772 HB3 HIS 100 1HB HIS 100 12.918 22.484 2.361 773 HD1 HIS 100 HD1 HIS 100 10.557 22.558 3.210 774 HD2 HIS 100 HD2 HIS 100 11.660 26.089 1.315 775 HE1 HIS 100 HE1 HIS 100 8.427 23.865 2.940 776 HE2 HIS 100 HE2 HIS 100 9.142 26.049 1.901 777 H HIS 101 H HIS 101 14.558 25.395 5.373 778 HA HIS 101 HA HIS 101 12.846 23.901 7.253 779 HB2 HIS 101 2HB HIS 101 15.806 24.517 7.699 780 HB3 HIS 101 1HB HIS 101 14.726 23.842 8.912 781 HD1 HIS 101 HD1 HIS 101 14.101 21.347 8.675 782 HD2 HIS 101 HD2 HIS 101 16.759 22.700 5.783 783 HE1 HIS 101 HE1 HIS 101 15.021 19.279 7.589 784 HE2 HIS 101 HE2 HIS 101 16.606 20.121 5.827 Start of MODEL 20 1 H1 MET 1 1H MET 1 0.034 20.429 5.860 2 H2 MET 1 2H MET 1 -1.216 19.713 4.975 3 H3 MET 1 3H MET 1 0.285 18.945 5.086 4 HA MET 1 HA MET 1 0.031 18.612 7.421 5 HB2 MET 1 2HB MET 1 -2.074 19.168 8.584 6 HB3 MET 1 1HB MET 1 -1.331 20.607 7.904 7 HG2 MET 1 2HG MET 1 -3.618 19.128 6.583 8 HG3 MET 1 1HG MET 1 -3.824 20.508 7.660 9 HE1 MET 1 3HE MET 1 -1.440 22.470 6.857 10 HE2 MET 1 1HE MET 1 -3.110 22.995 7.063 11 HE3 MET 1 2HE MET 1 -2.222 23.431 5.602 12 H THR 2 H THR 2 -1.120 17.695 4.527 13 HA THR 2 HA THR 2 -2.994 15.640 5.231 14 HB THR 2 HB THR 2 -1.370 15.985 2.665 15 HG1 THR 2 HG1 THR 2 -3.932 16.963 3.466 16 HG21 THR 2 3HG2 THR 2 -3.172 14.635 1.614 17 HG22 THR 2 1HG2 THR 2 -3.927 14.410 3.200 18 HG23 THR 2 2HG2 THR 2 -2.341 13.711 2.866 19 H SER 3 H SER 3 -2.505 13.721 6.089 20 HA SER 3 HA SER 3 0.136 12.678 6.421 21 HB2 SER 3 2HB SER 3 -2.581 11.337 6.828 22 HB3 SER 3 1HB SER 3 -1.028 10.744 7.445 23 HG SER 3 HG SER 3 -0.996 13.034 8.405 24 H THR 4 H THR 4 1.147 10.960 5.345 25 HA THR 4 HA THR 4 0.511 10.457 2.631 26 HB THR 4 HB THR 4 2.313 8.707 4.363 27 HG1 THR 4 HG1 THR 4 2.586 11.356 3.585 28 HG21 THR 4 3HG2 THR 4 3.592 8.379 2.271 29 HG22 THR 4 1HG2 THR 4 2.448 9.409 1.395 30 HG23 THR 4 2HG2 THR 4 1.923 7.859 2.057 31 H PHE 5 H PHE 5 -0.629 9.019 5.590 32 HA PHE 5 HA PHE 5 -1.616 6.568 4.562 33 HB2 PHE 5 2HB PHE 5 -1.476 6.783 6.961 34 HB3 PHE 5 1HB PHE 5 -2.479 8.233 6.966 35 HD1 PHE 5 HD1 PHE 5 -2.665 4.597 5.939 36 HD2 PHE 5 HD2 PHE 5 -4.783 7.990 7.492 37 HE1 PHE 5 HE1 PHE 5 -4.696 3.242 6.172 38 HE2 PHE 5 HE2 PHE 5 -6.807 6.603 7.723 39 HZ PHE 5 HZ PHE 5 -6.761 4.230 7.066 40 H ASP 6 H ASP 6 -3.087 9.797 4.924 41 HA ASP 6 HA ASP 6 -5.709 9.240 4.129 42 HB2 ASP 6 2HB ASP 6 -5.190 11.400 5.094 43 HB3 ASP 6 1HB ASP 6 -4.060 11.777 3.803 44 H ARG 7 H ARG 7 -2.915 10.123 2.169 45 HA ARG 7 HA ARG 7 -4.135 10.332 -0.357 46 HB2 ARG 7 2HB ARG 7 -1.288 9.485 0.332 47 HB3 ARG 7 1HB ARG 7 -1.830 10.060 -1.245 48 HG2 ARG 7 2HG ARG 7 -1.799 11.698 1.320 49 HG3 ARG 7 1HG ARG 7 -0.603 11.792 0.024 50 HD2 ARG 7 2HD ARG 7 -3.556 12.474 -0.226 51 HD3 ARG 7 1HD ARG 7 -2.235 13.639 -0.109 52 HE ARG 7 HE ARG 7 -1.652 12.024 -2.283 53 HH11 ARG 7 1HH1 ARG 7 -4.261 14.200 -1.433 54 HH12 ARG 7 2HH1 ARG 7 -4.565 14.664 -3.073 55 HH21 ARG 7 1HH2 ARG 7 -2.059 12.639 -4.408 56 HH22 ARG 7 2HH2 ARG 7 -3.326 13.763 -4.759 57 H VAL 8 H VAL 8 -2.308 7.608 1.054 58 HA VAL 8 HA VAL 8 -2.746 5.686 -0.965 59 HB VAL 8 HB VAL 8 -2.246 5.227 2.017 60 HG11 VAL 8 1HG1 VAL 8 -3.019 3.156 0.912 61 HG12 VAL 8 2HG1 VAL 8 -1.311 3.019 1.329 62 HG13 VAL 8 3HG1 VAL 8 -1.789 3.345 -0.337 63 HG21 VAL 8 3HG2 VAL 8 -0.509 6.669 1.010 64 HG22 VAL 8 1HG2 VAL 8 -0.246 5.481 -0.270 65 HG23 VAL 8 2HG2 VAL 8 0.156 5.082 1.402 66 H ALA 9 H ALA 9 -4.641 6.593 1.832 67 HA ALA 9 HA ALA 9 -6.375 4.345 1.993 68 HB1 ALA 9 3HB ALA 9 -6.775 7.155 3.087 69 HB2 ALA 9 1HB ALA 9 -5.993 5.815 3.934 70 HB3 ALA 9 2HB ALA 9 -7.714 5.728 3.540 71 H THR 10 H THR 10 -6.685 7.594 0.542 72 HA THR 10 HA THR 10 -9.217 7.458 -0.589 73 HB THR 10 HB THR 10 -6.689 8.816 -1.607 74 HG1 THR 10 HG1 THR 10 -7.066 9.997 0.075 75 HG21 THR 10 3HG2 THR 10 -8.311 8.697 -3.447 76 HG22 THR 10 1HG2 THR 10 -8.174 10.357 -2.854 77 HG23 THR 10 2HG2 THR 10 -9.569 9.374 -2.408 78 H ILE 11 H ILE 11 -6.100 6.368 -1.908 79 HA ILE 11 HA ILE 11 -6.914 5.444 -4.429 80 HB ILE 11 HB ILE 11 -4.662 4.547 -2.600 81 HG12 ILE 11 2HG1 ILE 11 -4.458 6.855 -3.445 82 HG13 ILE 11 1HG1 ILE 11 -3.188 5.836 -4.119 83 HG21 ILE 11 1HG2 ILE 11 -5.088 3.650 -5.472 84 HG22 ILE 11 2HG2 ILE 11 -5.131 2.626 -4.037 85 HG23 ILE 11 3HG2 ILE 11 -3.616 3.372 -4.540 86 HD11 ILE 11 3HD1 ILE 11 -5.723 6.619 -5.548 87 HD12 ILE 11 1HD1 ILE 11 -4.368 5.711 -6.224 88 HD13 ILE 11 2HD1 ILE 11 -4.154 7.390 -5.736 89 H ILE 12 H ILE 12 -6.629 3.667 -1.341 90 HA ILE 12 HA ILE 12 -7.560 1.158 -2.286 91 HB ILE 12 HB ILE 12 -7.604 2.290 0.551 92 HG12 ILE 12 2HG1 ILE 12 -5.478 0.553 -0.796 93 HG13 ILE 12 1HG1 ILE 12 -5.334 2.282 -0.521 94 HG21 ILE 12 1HG2 ILE 12 -7.789 -0.618 -0.345 95 HG22 ILE 12 2HG2 ILE 12 -9.083 0.332 0.392 96 HG23 ILE 12 3HG2 ILE 12 -7.644 -0.069 1.328 97 HD11 ILE 12 3HD1 ILE 12 -4.067 1.011 1.106 98 HD12 ILE 12 1HD1 ILE 12 -5.530 0.172 1.627 99 HD13 ILE 12 2HD1 ILE 12 -5.365 1.912 1.893 100 H ALA 13 H ALA 13 -9.212 4.002 -1.037 101 HA ALA 13 HA ALA 13 -11.768 2.929 -0.531 102 HB1 ALA 13 3HB ALA 13 -11.038 5.794 -1.230 103 HB2 ALA 13 1HB ALA 13 -11.014 5.089 0.385 104 HB3 ALA 13 2HB ALA 13 -12.543 5.260 -0.476 105 H GLU 14 H GLU 14 -10.568 4.768 -3.375 106 HA GLU 14 HA GLU 14 -12.998 4.436 -4.855 107 HB2 GLU 14 2HB GLU 14 -10.257 5.449 -5.720 108 HB3 GLU 14 1HB GLU 14 -11.718 5.530 -6.711 109 HG2 GLU 14 2HG GLU 14 -12.780 6.921 -4.909 110 HG3 GLU 14 1HG GLU 14 -11.226 6.940 -4.066 111 H THR 15 H THR 15 -9.778 2.918 -5.043 112 HA THR 15 HA THR 15 -10.281 1.540 -7.499 113 HB THR 15 HB THR 15 -8.062 1.153 -5.448 114 HG1 THR 15 HG1 THR 15 -7.897 3.183 -6.325 115 HG21 THR 15 3HG2 THR 15 -8.249 0.171 -8.316 116 HG22 THR 15 1HG2 THR 15 -8.211 -0.840 -6.866 117 HG23 THR 15 2HG2 THR 15 -6.797 0.113 -7.318 118 H CYS 16 H CYS 16 -9.950 0.377 -4.097 119 HA CYS 16 HA CYS 16 -10.860 -2.298 -4.791 120 HB2 CYS 16 2HB CYS 16 -9.018 -1.949 -3.164 121 HB3 CYS 16 1HB CYS 16 -10.117 -1.087 -2.095 122 HG CYS 16 HG CYS 16 -9.470 -4.282 -2.239 123 H ASP 17 H ASP 17 -12.426 0.600 -4.051 124 HA ASP 17 HA ASP 17 -14.428 1.277 -3.313 125 HB2 ASP 17 2HB ASP 17 -15.249 -0.168 -5.157 126 HB3 ASP 17 1HB ASP 17 -15.326 -1.540 -4.057 127 H ILE 18 H ILE 18 -13.334 1.391 -1.236 128 HA ILE 18 HA ILE 18 -14.766 -0.137 0.854 129 HB ILE 18 HB ILE 18 -11.812 0.669 1.078 130 HG12 ILE 18 2HG1 ILE 18 -12.997 -2.114 0.618 131 HG13 ILE 18 1HG1 ILE 18 -11.993 -1.208 -0.508 132 HG21 ILE 18 1HG2 ILE 18 -11.817 -0.628 3.193 133 HG22 ILE 18 2HG2 ILE 18 -13.536 -0.974 2.986 134 HG23 ILE 18 3HG2 ILE 18 -12.995 0.685 3.246 135 HD11 ILE 18 3HD1 ILE 18 -10.735 -2.972 0.576 136 HD12 ILE 18 1HD1 ILE 18 -11.111 -2.299 2.162 137 HD13 ILE 18 2HD1 ILE 18 -10.102 -1.391 1.033 138 HA PRO 19 HA PRO 19 -15.848 4.133 2.133 139 HB2 PRO 19 2HB PRO 19 -16.312 2.727 4.774 140 HB3 PRO 19 1HB PRO 19 -17.366 3.847 3.894 141 HG2 PRO 19 2HG PRO 19 -17.900 1.252 3.878 142 HG3 PRO 19 1HG PRO 19 -18.073 2.199 2.383 143 HD2 PRO 19 2HD PRO 19 -15.836 0.338 3.203 144 HD3 PRO 19 1HD PRO 19 -16.636 0.510 1.622 145 H ARG 20 H ARG 20 -14.632 5.749 3.046 146 HA ARG 20 HA ARG 20 -11.989 5.328 3.930 147 HB2 ARG 20 2HB ARG 20 -13.816 7.744 3.956 148 HB3 ARG 20 1HB ARG 20 -12.214 7.838 4.671 149 HG2 ARG 20 2HG ARG 20 -12.779 7.103 1.779 150 HG3 ARG 20 1HG ARG 20 -12.290 8.703 2.350 151 HD2 ARG 20 2HD ARG 20 -10.663 6.135 2.461 152 HD3 ARG 20 1HD ARG 20 -10.333 7.566 1.478 153 HE ARG 20 HE ARG 20 -10.076 7.380 4.418 154 HH11 ARG 20 1HH1 ARG 20 -9.181 9.008 1.444 155 HH12 ARG 20 2HH1 ARG 20 -8.061 10.060 2.243 156 HH21 ARG 20 1HH2 ARG 20 -8.608 8.733 5.411 157 HH22 ARG 20 2HH2 ARG 20 -7.752 9.926 4.486 158 H GLU 21 H GLU 21 -14.984 5.560 5.728 159 HA GLU 21 HA GLU 21 -13.932 5.991 8.335 160 HB2 GLU 21 2HB GLU 21 -16.153 5.213 9.137 161 HB3 GLU 21 1HB GLU 21 -16.289 6.392 7.838 162 HG2 GLU 21 2HG GLU 21 -16.697 4.517 6.234 163 HG3 GLU 21 1HG GLU 21 -16.670 3.391 7.588 164 H THR 22 H THR 22 -14.507 3.041 6.429 165 HA THR 22 HA THR 22 -13.862 1.237 8.616 166 HB THR 22 HB THR 22 -14.084 -0.576 6.880 167 HG1 THR 22 HG1 THR 22 -13.504 1.095 5.131 168 HG21 THR 22 3HG2 THR 22 -16.412 1.387 6.941 169 HG22 THR 22 1HG2 THR 22 -16.082 0.135 8.144 170 HG23 THR 22 2HG2 THR 22 -16.513 -0.319 6.494 171 H ILE 23 H ILE 23 -12.127 2.867 6.066 172 HA ILE 23 HA ILE 23 -9.765 1.199 6.141 173 HB ILE 23 HB ILE 23 -10.176 4.033 5.068 174 HG12 ILE 23 2HG1 ILE 23 -10.057 1.370 3.579 175 HG13 ILE 23 1HG1 ILE 23 -11.526 2.291 3.895 176 HG21 ILE 23 1HG2 ILE 23 -7.821 2.152 4.647 177 HG22 ILE 23 2HG2 ILE 23 -7.802 3.643 5.591 178 HG23 ILE 23 3HG2 ILE 23 -8.042 3.709 3.845 179 HD11 ILE 23 3HD1 ILE 23 -10.786 2.590 1.620 180 HD12 ILE 23 1HD1 ILE 23 -9.210 3.165 2.167 181 HD13 ILE 23 2HD1 ILE 23 -10.664 4.115 2.497 182 H THR 24 H THR 24 -8.431 1.196 7.834 183 HA THR 24 HA THR 24 -7.969 3.597 9.510 184 HB THR 24 HB THR 24 -7.866 1.961 11.517 185 HG1 THR 24 HG1 THR 24 -9.260 0.318 9.642 186 HG21 THR 24 3HG2 THR 24 -10.322 1.972 11.887 187 HG22 THR 24 1HG2 THR 24 -10.572 2.370 10.184 188 HG23 THR 24 2HG2 THR 24 -9.762 3.520 11.249 189 HA PRO 25 HA PRO 25 -3.699 2.731 8.661 190 HB2 PRO 25 2HB PRO 25 -2.470 3.649 10.988 191 HB3 PRO 25 1HB PRO 25 -3.079 4.707 9.707 192 HG2 PRO 25 2HG PRO 25 -4.405 3.893 12.288 193 HG3 PRO 25 1HG PRO 25 -4.287 5.509 11.553 194 HD2 PRO 25 2HD PRO 25 -6.536 4.076 11.319 195 HD3 PRO 25 1HD PRO 25 -5.936 5.038 9.946 196 H GLU 26 H GLU 26 -5.020 1.499 11.686 197 HA GLU 26 HA GLU 26 -2.877 -0.299 12.344 198 HB2 GLU 26 2HB GLU 26 -4.400 -1.127 14.090 199 HB3 GLU 26 1HB GLU 26 -4.374 0.636 14.069 200 HG2 GLU 26 2HG GLU 26 -6.527 0.685 12.884 201 HG3 GLU 26 1HG GLU 26 -6.547 -1.078 12.805 202 H SER 27 H SER 27 -5.535 -0.458 10.174 203 HA SER 27 HA SER 27 -6.131 -3.270 10.303 204 HB2 SER 27 2HB SER 27 -7.870 -1.725 9.595 205 HB3 SER 27 1HB SER 27 -6.863 -1.093 8.293 206 HG SER 27 HG SER 27 -8.509 -3.212 8.292 207 H HIS 28 H HIS 28 -5.560 -4.860 8.852 208 HA HIS 28 HA HIS 28 -3.277 -4.390 7.047 209 HB2 HIS 28 2HB HIS 28 -3.063 -6.132 8.865 210 HB3 HIS 28 1HB HIS 28 -4.394 -7.023 8.134 211 HD2 HIS 28 HD2 HIS 28 -0.641 -6.914 8.007 212 HE1 HIS 28 HE1 HIS 28 -1.886 -8.818 4.463 213 HE2 HIS 28 HE2 HIS 28 0.081 -8.248 5.923 214 H ALA 29 H ALA 29 -3.565 -4.603 4.869 215 HA ALA 29 HA ALA 29 -6.013 -4.579 3.598 216 HB1 ALA 29 3HB ALA 29 -4.775 -4.930 1.508 217 HB2 ALA 29 1HB ALA 29 -3.367 -5.478 2.424 218 HB3 ALA 29 2HB ALA 29 -3.919 -3.807 2.571 219 H ILE 30 H ILE 30 -3.751 -7.401 3.546 220 HA ILE 30 HA ILE 30 -5.632 -9.077 2.179 221 HB ILE 30 HB ILE 30 -3.008 -9.819 3.548 222 HG12 ILE 30 2HG1 ILE 30 -3.649 -9.193 0.622 223 HG13 ILE 30 1HG1 ILE 30 -2.637 -8.238 1.702 224 HG21 ILE 30 1HG2 ILE 30 -3.059 -11.915 2.236 225 HG22 ILE 30 2HG2 ILE 30 -4.648 -11.485 1.599 226 HG23 ILE 30 3HG2 ILE 30 -4.447 -11.816 3.320 227 HD11 ILE 30 3HD1 ILE 30 -2.023 -10.991 0.630 228 HD12 ILE 30 1HD1 ILE 30 -1.020 -10.102 1.782 229 HD13 ILE 30 2HD1 ILE 30 -1.274 -9.468 0.158 230 H ASP 31 H ASP 31 -4.673 -8.731 5.543 231 HA ASP 31 HA ASP 31 -6.001 -11.146 6.424 232 HB2 ASP 31 2HB ASP 31 -3.876 -10.416 7.475 233 HB3 ASP 31 1HB ASP 31 -4.648 -8.935 8.031 234 H ASP 32 H ASP 32 -6.376 -7.687 7.375 235 HA ASP 32 HA ASP 32 -8.808 -8.261 8.790 236 HB2 ASP 32 2HB ASP 32 -7.233 -6.522 9.587 237 HB3 ASP 32 1HB ASP 32 -7.541 -5.560 8.141 238 H LEU 33 H LEU 33 -8.097 -6.197 5.939 239 HA LEU 33 HA LEU 33 -10.858 -5.651 5.366 240 HB2 LEU 33 2HB LEU 33 -8.408 -5.242 3.599 241 HB3 LEU 33 1HB LEU 33 -10.005 -4.565 3.301 242 HG LEU 33 HG LEU 33 -8.166 -3.853 5.629 243 HD11 LEU 33 1HD1 LEU 33 -7.393 -2.945 3.498 244 HD12 LEU 33 2HD1 LEU 33 -7.983 -1.659 4.546 245 HD13 LEU 33 3HD1 LEU 33 -8.977 -2.222 3.197 246 HD21 LEU 33 3HD2 LEU 33 -10.494 -3.730 6.367 247 HD22 LEU 33 1HD2 LEU 33 -10.923 -2.741 4.968 248 HD23 LEU 33 2HD2 LEU 33 -9.829 -2.108 6.204 249 H GLY 34 H GLY 34 -8.577 -8.114 4.392 250 HA2 GLY 34 2HA GLY 34 -9.008 -10.171 3.437 251 HA3 GLY 34 1HA GLY 34 -10.675 -9.690 3.156 252 H ILE 35 H ILE 35 -8.155 -7.608 2.029 253 HA ILE 35 HA ILE 35 -8.846 -7.833 -0.739 254 HB ILE 35 HB ILE 35 -6.411 -6.513 0.563 255 HG12 ILE 35 2HG1 ILE 35 -9.079 -5.265 -0.248 256 HG13 ILE 35 1HG1 ILE 35 -8.578 -5.601 1.407 257 HG21 ILE 35 1HG2 ILE 35 -6.218 -5.163 -1.504 258 HG22 ILE 35 2HG2 ILE 35 -7.542 -6.076 -2.227 259 HG23 ILE 35 3HG2 ILE 35 -6.022 -6.885 -1.843 260 HD11 ILE 35 3HD1 ILE 35 -6.732 -3.968 1.143 261 HD12 ILE 35 1HD1 ILE 35 -8.330 -3.254 0.912 262 HD13 ILE 35 2HD1 ILE 35 -7.317 -3.610 -0.487 263 H ASP 36 H ASP 36 -8.003 -9.211 -2.277 264 HA ASP 36 HA ASP 36 -6.026 -11.212 -1.529 265 HB2 ASP 36 2HB ASP 36 -7.475 -10.658 -4.162 266 HB3 ASP 36 1HB ASP 36 -6.275 -11.937 -3.975 267 H SER 37 H SER 37 -3.941 -11.494 -2.689 268 HA SER 37 HA SER 37 -2.480 -9.130 -3.184 269 HB2 SER 37 2HB SER 37 -1.855 -11.983 -4.050 270 HB3 SER 37 1HB SER 37 -0.696 -10.656 -3.955 271 HG SER 37 HG SER 37 -2.205 -11.290 -1.677 272 H LEU 38 H LEU 38 -4.619 -10.962 -5.174 273 HA LEU 38 HA LEU 38 -3.767 -10.075 -7.769 274 HB2 LEU 38 2HB LEU 38 -6.526 -11.049 -6.901 275 HB3 LEU 38 1HB LEU 38 -5.889 -11.023 -8.540 276 HG LEU 38 HG LEU 38 -4.935 -12.826 -6.276 277 HD11 LEU 38 1HD1 LEU 38 -5.880 -14.672 -7.580 278 HD12 LEU 38 2HD1 LEU 38 -6.482 -13.535 -8.792 279 HD13 LEU 38 3HD1 LEU 38 -7.124 -13.498 -7.146 280 HD21 LEU 38 3HD2 LEU 38 -3.963 -12.707 -9.152 281 HD22 LEU 38 1HD2 LEU 38 -3.494 -13.917 -7.952 282 HD23 LEU 38 2HD2 LEU 38 -3.051 -12.229 -7.718 283 H ASP 39 H ASP 39 -6.313 -9.164 -5.465 284 HA ASP 39 HA ASP 39 -7.404 -6.984 -6.959 285 HB2 ASP 39 2HB ASP 39 -8.616 -8.344 -5.187 286 HB3 ASP 39 1HB ASP 39 -7.639 -7.541 -3.962 287 H PHE 40 H PHE 40 -4.816 -7.323 -4.661 288 HA PHE 40 HA PHE 40 -4.550 -4.573 -3.931 289 HB2 PHE 40 2HB PHE 40 -3.758 -6.675 -2.617 290 HB3 PHE 40 1HB PHE 40 -2.358 -6.660 -3.678 291 HD1 PHE 40 HD1 PHE 40 -0.666 -4.842 -3.476 292 HD2 PHE 40 HD2 PHE 40 -4.057 -4.955 -0.890 293 HE1 PHE 40 HE1 PHE 40 0.409 -3.196 -2.005 294 HE2 PHE 40 HE2 PHE 40 -2.977 -3.303 0.576 295 HZ PHE 40 HZ PHE 40 -0.752 -2.426 0.020 296 H LEU 41 H LEU 41 -3.460 -6.521 -6.628 297 HA LEU 41 HA LEU 41 -1.271 -4.987 -7.567 298 HB2 LEU 41 2HB LEU 41 -3.364 -6.547 -9.124 299 HB3 LEU 41 1HB LEU 41 -1.916 -5.875 -9.851 300 HG LEU 41 HG LEU 41 -1.950 -8.032 -7.709 301 HD11 LEU 41 1HD1 LEU 41 -2.817 -8.892 -9.822 302 HD12 LEU 41 2HD1 LEU 41 -1.230 -9.569 -9.479 303 HD13 LEU 41 3HD1 LEU 41 -1.396 -8.286 -10.679 304 HD21 LEU 41 3HD2 LEU 41 0.068 -6.655 -7.554 305 HD22 LEU 41 1HD2 LEU 41 0.392 -6.894 -9.272 306 HD23 LEU 41 2HD2 LEU 41 0.464 -8.262 -8.156 307 H ASP 42 H ASP 42 -4.792 -4.647 -7.984 308 HA ASP 42 HA ASP 42 -4.867 -2.493 -9.811 309 HB2 ASP 42 2HB ASP 42 -6.876 -3.163 -7.609 310 HB3 ASP 42 1HB ASP 42 -7.191 -2.131 -9.004 311 H ILE 43 H ILE 43 -4.828 -2.581 -6.258 312 HA ILE 43 HA ILE 43 -5.068 0.196 -5.737 313 HB ILE 43 HB ILE 43 -3.720 -1.973 -4.051 314 HG12 ILE 43 2HG1 ILE 43 -6.553 -0.848 -3.887 315 HG13 ILE 43 1HG1 ILE 43 -6.125 -2.426 -4.543 316 HG21 ILE 43 1HG2 ILE 43 -4.013 -0.467 -2.106 317 HG22 ILE 43 2HG2 ILE 43 -4.639 0.796 -3.170 318 HG23 ILE 43 3HG2 ILE 43 -2.964 0.261 -3.325 319 HD11 ILE 43 3HD1 ILE 43 -7.033 -2.626 -2.311 320 HD12 ILE 43 1HD1 ILE 43 -5.802 -1.532 -1.676 321 HD13 ILE 43 2HD1 ILE 43 -5.336 -3.112 -2.315 322 H ALA 44 H ALA 44 -2.258 -1.934 -6.039 323 HA ALA 44 HA ALA 44 -0.251 -0.008 -5.470 324 HB1 ALA 44 3HB ALA 44 0.002 -2.645 -6.966 325 HB2 ALA 44 1HB ALA 44 0.102 -2.444 -5.216 326 HB3 ALA 44 2HB ALA 44 1.332 -1.722 -6.255 327 H PHE 45 H PHE 45 -1.794 -1.074 -8.435 328 HA PHE 45 HA PHE 45 -0.193 0.224 -10.370 329 HB2 PHE 45 2HB PHE 45 -1.976 -1.553 -10.808 330 HB3 PHE 45 1HB PHE 45 -3.195 -0.310 -10.579 331 HD1 PHE 45 HD2 PHE 45 -0.493 -1.528 -12.784 332 HD2 PHE 45 HD1 PHE 45 -3.619 1.362 -12.344 333 HE1 PHE 45 HE2 PHE 45 -0.301 -0.949 -15.162 334 HE2 PHE 45 HE1 PHE 45 -3.422 1.928 -14.730 335 HZ PHE 45 HZ PHE 45 -1.759 0.777 -16.138 336 H ALA 46 H ALA 46 -3.084 1.252 -8.603 337 HA ALA 46 HA ALA 46 -3.332 3.838 -9.783 338 HB1 ALA 46 3HB ALA 46 -4.937 4.289 -7.954 339 HB2 ALA 46 1HB ALA 46 -4.440 2.794 -7.157 340 HB3 ALA 46 2HB ALA 46 -5.247 2.731 -8.724 341 H ILE 47 H ILE 47 -1.606 2.578 -6.986 342 HA ILE 47 HA ILE 47 -0.857 5.024 -5.748 343 HB ILE 47 HB ILE 47 0.344 2.226 -5.670 344 HG12 ILE 47 2HG1 ILE 47 -1.109 3.797 -3.496 345 HG13 ILE 47 1HG1 ILE 47 -1.920 2.684 -4.590 346 HG21 ILE 47 1HG2 ILE 47 1.287 4.616 -4.041 347 HG22 ILE 47 2HG2 ILE 47 2.229 3.731 -5.242 348 HG23 ILE 47 3HG2 ILE 47 1.750 2.941 -3.742 349 HD11 ILE 47 3HD1 ILE 47 -1.481 1.712 -2.388 350 HD12 ILE 47 1HD1 ILE 47 0.254 1.906 -2.642 351 HD13 ILE 47 2HD1 ILE 47 -0.675 0.823 -3.682 352 H ASP 48 H ASP 48 0.744 2.978 -8.191 353 HA ASP 48 HA ASP 48 3.128 4.331 -8.608 354 HB2 ASP 48 2HB ASP 48 1.386 3.063 -10.766 355 HB3 ASP 48 1HB ASP 48 3.094 3.457 -10.941 356 H LYS 49 H LYS 49 -0.020 4.957 -10.087 357 HA LYS 49 HA LYS 49 0.978 7.069 -11.797 358 HB2 LYS 49 2HB LYS 49 -1.875 6.116 -11.306 359 HB3 LYS 49 1HB LYS 49 -1.370 7.215 -12.593 360 HG2 LYS 49 2HG LYS 49 0.099 5.373 -13.494 361 HG3 LYS 49 1HG LYS 49 -0.574 4.298 -12.266 362 HD2 LYS 49 2HD LYS 49 -1.696 3.917 -14.387 363 HD3 LYS 49 1HD LYS 49 -2.838 4.633 -13.247 364 HE2 LYS 49 2HE LYS 49 -2.555 6.831 -14.324 365 HE3 LYS 49 1HE LYS 49 -1.348 6.161 -15.421 366 HZ1 LYS 49 3HZ LYS 49 -4.215 5.422 -15.298 367 HZ2 LYS 49 1HZ LYS 49 -3.069 4.698 -16.312 368 HZ3 LYS 49 2HZ LYS 49 -3.458 6.334 -16.503 369 H ALA 50 H ALA 50 -0.860 6.875 -8.787 370 HA ALA 50 HA ALA 50 -1.823 9.567 -8.727 371 HB1 ALA 50 3HB ALA 50 -2.404 9.104 -6.376 372 HB2 ALA 50 1HB ALA 50 -1.470 7.602 -6.435 373 HB3 ALA 50 2HB ALA 50 -2.912 7.789 -7.437 374 H PHE 51 H PHE 51 0.815 7.915 -6.982 375 HA PHE 51 HA PHE 51 1.819 10.384 -5.836 376 HB2 PHE 51 2HB PHE 51 2.869 7.521 -5.716 377 HB3 PHE 51 1HB PHE 51 3.564 8.873 -4.828 378 HD1 PHE 51 HD1 PHE 51 0.580 6.676 -5.106 379 HD2 PHE 51 HD2 PHE 51 2.497 9.733 -2.819 380 HE1 PHE 51 HE1 PHE 51 -1.005 6.299 -3.274 381 HE2 PHE 51 HE2 PHE 51 0.901 9.349 -0.990 382 HZ PHE 51 HZ PHE 51 -0.845 7.631 -1.218 383 H GLY 52 H GLY 52 2.507 8.375 -8.604 384 HA2 GLY 52 2HA GLY 52 3.826 8.847 -10.459 385 HA3 GLY 52 1HA GLY 52 4.512 10.236 -9.622 386 H ILE 53 H ILE 53 4.337 6.855 -8.614 387 HA ILE 53 HA ILE 53 7.294 6.660 -8.510 388 HB ILE 53 HB ILE 53 7.062 5.374 -6.373 389 HG12 ILE 53 2HG1 ILE 53 4.123 6.225 -6.469 390 HG13 ILE 53 1HG1 ILE 53 4.721 4.582 -6.661 391 HG21 ILE 53 1HG2 ILE 53 5.899 8.176 -6.205 392 HG22 ILE 53 2HG2 ILE 53 7.616 7.765 -6.267 393 HG23 ILE 53 3HG2 ILE 53 6.646 7.286 -4.872 394 HD11 ILE 53 3HD1 ILE 53 4.918 6.256 -4.163 395 HD12 ILE 53 1HD1 ILE 53 5.512 4.604 -4.353 396 HD13 ILE 53 2HD1 ILE 53 3.788 4.939 -4.463 397 H LYS 54 H LYS 54 7.739 4.180 -7.833 398 HA LYS 54 HA LYS 54 5.886 2.316 -9.168 399 HB2 LYS 54 2HB LYS 54 7.958 2.598 -10.586 400 HB3 LYS 54 1HB LYS 54 8.941 2.070 -9.222 401 HG2 LYS 54 2HG LYS 54 7.433 -0.072 -9.257 402 HG3 LYS 54 1HG LYS 54 6.962 0.472 -10.865 403 HD2 LYS 54 2HD LYS 54 8.729 -1.154 -11.074 404 HD3 LYS 54 1HD LYS 54 9.371 0.425 -11.538 405 HE2 LYS 54 2HE LYS 54 10.523 0.636 -9.400 406 HE3 LYS 54 1HE LYS 54 9.747 -0.830 -8.790 407 HZ1 LYS 54 3HZ LYS 54 10.912 -2.120 -10.417 408 HZ2 LYS 54 1HZ LYS 54 12.024 -1.202 -9.537 409 HZ3 LYS 54 2HZ LYS 54 11.598 -0.736 -11.101 410 H LEU 55 H LEU 55 4.969 1.638 -7.322 411 HA LEU 55 HA LEU 55 6.362 0.849 -4.962 412 HB2 LEU 55 2HB LEU 55 3.990 1.625 -5.033 413 HB3 LEU 55 1HB LEU 55 3.546 0.179 -5.923 414 HG LEU 55 HG LEU 55 4.785 -0.087 -3.161 415 HD11 LEU 55 1HD1 LEU 55 1.838 0.411 -3.652 416 HD12 LEU 55 2HD1 LEU 55 2.963 1.526 -2.873 417 HD13 LEU 55 3HD1 LEU 55 2.588 -0.016 -2.110 418 HD21 LEU 55 3HD2 LEU 55 2.757 -1.812 -4.632 419 HD22 LEU 55 1HD2 LEU 55 3.426 -2.137 -3.028 420 HD23 LEU 55 2HD2 LEU 55 4.478 -2.164 -4.441 421 HA PRO 56 HA PRO 56 7.430 -3.145 -6.963 422 HB2 PRO 56 2HB PRO 56 9.580 -3.819 -5.464 423 HB3 PRO 56 1HB PRO 56 9.667 -2.506 -6.652 424 HG2 PRO 56 2HG PRO 56 9.405 -2.349 -3.662 425 HG3 PRO 56 1HG PRO 56 10.326 -1.304 -4.761 426 HD2 PRO 56 2HD PRO 56 7.770 -0.730 -3.701 427 HD3 PRO 56 1HD PRO 56 8.518 0.093 -5.085 428 H LEU 57 H LEU 57 5.307 -3.775 -6.159 429 HA LEU 57 HA LEU 57 4.867 -4.910 -3.591 430 HB2 LEU 57 2HB LEU 57 3.057 -4.048 -5.090 431 HB3 LEU 57 1HB LEU 57 3.362 -5.374 -6.201 432 HG LEU 57 HG LEU 57 2.681 -7.000 -4.434 433 HD11 LEU 57 1HD1 LEU 57 2.031 -4.532 -2.789 434 HD12 LEU 57 2HD1 LEU 57 3.266 -5.745 -2.432 435 HD13 LEU 57 3HD1 LEU 57 1.561 -6.186 -2.385 436 HD21 LEU 57 3HD2 LEU 57 0.590 -4.881 -5.023 437 HD22 LEU 57 1HD2 LEU 57 0.276 -6.549 -4.533 438 HD23 LEU 57 2HD2 LEU 57 1.040 -6.217 -6.083 439 H GLU 58 H GLU 58 5.868 -6.138 -6.715 440 HA GLU 58 HA GLU 58 5.697 -8.901 -6.348 441 HB2 GLU 58 2HB GLU 58 7.377 -9.021 -8.205 442 HB3 GLU 58 1HB GLU 58 6.041 -7.930 -8.552 443 HG2 GLU 58 2HG GLU 58 7.437 -5.988 -8.049 444 HG3 GLU 58 1HG GLU 58 8.778 -7.038 -7.592 445 H LYS 59 H LYS 59 8.235 -6.605 -5.454 446 HA LYS 59 HA LYS 59 10.152 -8.611 -4.702 447 HB2 LYS 59 2HB LYS 59 10.816 -6.300 -5.465 448 HB3 LYS 59 1HB LYS 59 10.181 -5.652 -3.955 449 HG2 LYS 59 2HG LYS 59 11.817 -7.015 -2.682 450 HG3 LYS 59 1HG LYS 59 12.425 -7.688 -4.193 451 HD2 LYS 59 2HD LYS 59 13.953 -5.990 -3.452 452 HD3 LYS 59 1HD LYS 59 13.127 -5.393 -4.892 453 HE2 LYS 59 2HE LYS 59 11.736 -3.924 -3.568 454 HE3 LYS 59 1HE LYS 59 12.288 -4.664 -2.064 455 HZ1 LYS 59 3HZ LYS 59 14.490 -3.813 -2.464 456 HZ2 LYS 59 1HZ LYS 59 13.364 -2.553 -2.497 457 HZ3 LYS 59 2HZ LYS 59 14.005 -3.144 -3.942 458 H TRP 60 H TRP 60 7.821 -6.529 -3.031 459 HA TRP 60 HA TRP 60 8.545 -7.135 -0.361 460 HB2 TRP 60 2HB TRP 60 5.881 -6.197 -1.519 461 HB3 TRP 60 1HB TRP 60 6.248 -6.246 0.205 462 HD1 TRP 60 HD1 TRP 60 9.384 -5.095 -1.094 463 HE1 TRP 60 HE1 TRP 60 9.538 -2.544 -1.168 464 HE3 TRP 60 HE3 TRP 60 4.438 -3.962 -0.527 465 HZ2 TRP 60 HZ2 TRP 60 7.833 -0.335 -1.002 466 HZ3 TRP 60 HZ3 TRP 60 3.782 -1.592 -0.485 467 HH2 TRP 60 HH2 TRP 60 5.446 0.188 -0.714 468 H THR 61 H THR 61 6.055 -8.531 -2.482 469 HA THR 61 HA THR 61 5.111 -10.583 -0.875 470 HB THR 61 HB THR 61 5.445 -10.489 -3.908 471 HG1 THR 61 HG1 THR 61 4.082 -8.868 -2.848 472 HG21 THR 61 3HG2 THR 61 3.673 -12.224 -4.031 473 HG22 THR 61 1HG2 THR 61 3.694 -12.367 -2.268 474 HG23 THR 61 2HG2 THR 61 5.108 -12.839 -3.210 475 H GLN 62 H GLN 62 8.003 -10.470 -2.939 476 HA GLN 62 HA GLN 62 8.737 -13.204 -2.734 477 HB2 GLN 62 2HB GLN 62 9.511 -11.587 -4.540 478 HB3 GLN 62 1HB GLN 62 10.581 -10.855 -3.355 479 HG2 GLN 62 2HG GLN 62 11.897 -12.370 -4.663 480 HG3 GLN 62 1HG GLN 62 11.691 -13.102 -3.070 481 HE21 GLN 62 1HE2 GLN 62 10.887 -13.317 -6.454 482 HE22 GLN 62 2HE2 GLN 62 10.182 -14.894 -6.406 483 H GLU 63 H GLU 63 9.576 -10.312 -0.859 484 HA GLU 63 HA GLU 63 11.525 -11.391 0.851 485 HB2 GLU 63 2HB GLU 63 9.459 -9.235 1.490 486 HB3 GLU 63 1HB GLU 63 10.925 -9.547 2.416 487 HG2 GLU 63 2HG GLU 63 10.754 -8.490 -0.420 488 HG3 GLU 63 1HG GLU 63 11.192 -7.582 1.021 489 H VAL 64 H VAL 64 7.964 -11.366 1.067 490 HA VAL 64 HA VAL 64 7.720 -12.631 3.595 491 HB VAL 64 HB VAL 64 5.748 -12.666 1.262 492 HG11 VAL 64 1HG1 VAL 64 4.000 -13.122 2.974 493 HG12 VAL 64 2HG1 VAL 64 5.248 -13.232 4.217 494 HG13 VAL 64 3HG1 VAL 64 5.202 -14.414 2.909 495 HG21 VAL 64 3HG2 VAL 64 4.664 -10.731 2.369 496 HG22 VAL 64 1HG2 VAL 64 6.332 -10.369 1.920 497 HG23 VAL 64 2HG2 VAL 64 5.930 -10.722 3.602 498 H ASN 65 H ASN 65 7.753 -13.854 0.270 499 HA ASN 65 HA ASN 65 7.344 -16.576 0.671 500 HB2 ASN 65 2HB ASN 65 9.025 -15.244 -1.501 501 HB3 ASN 65 1HB ASN 65 8.475 -16.918 -1.546 502 HD21 ASN 65 1HD2 ASN 65 7.939 -14.838 -3.456 503 HD22 ASN 65 2HD2 ASN 65 6.219 -14.649 -3.511 504 H ASP 66 H ASP 66 10.401 -14.765 0.722 505 HA ASP 66 HA ASP 66 12.037 -17.141 0.996 506 HB2 ASP 66 2HB ASP 66 12.676 -15.093 -0.366 507 HB3 ASP 66 1HB ASP 66 12.841 -14.195 1.139 508 H GLY 67 H GLY 67 10.402 -15.003 3.147 509 HA2 GLY 67 2HA GLY 67 10.300 -14.993 5.451 510 HA3 GLY 67 1HA GLY 67 11.648 -16.117 5.520 511 H LYS 68 H LYS 68 12.056 -13.269 3.608 512 HA LYS 68 HA LYS 68 13.976 -12.050 5.410 513 HB2 LYS 68 2HB LYS 68 12.830 -11.226 2.713 514 HB3 LYS 68 1HB LYS 68 13.952 -10.208 3.609 515 HG2 LYS 68 2HG LYS 68 14.547 -13.017 2.636 516 HG3 LYS 68 1HG LYS 68 15.056 -11.521 1.843 517 HD2 LYS 68 2HD LYS 68 16.344 -10.910 3.908 518 HD3 LYS 68 1HD LYS 68 15.888 -12.458 4.624 519 HE2 LYS 68 2HE LYS 68 17.092 -13.627 2.786 520 HE3 LYS 68 1HE LYS 68 17.571 -12.060 2.129 521 HZ1 LYS 68 3HZ LYS 68 18.317 -13.129 4.799 522 HZ2 LYS 68 1HZ LYS 68 18.750 -11.608 4.200 523 HZ3 LYS 68 2HZ LYS 68 19.325 -13.006 3.449 524 H ALA 69 H ALA 69 10.602 -11.790 4.729 525 HA ALA 69 HA ALA 69 10.181 -9.826 6.831 526 HB1 ALA 69 3HB ALA 69 9.264 -9.264 3.982 527 HB2 ALA 69 1HB ALA 69 10.556 -8.407 4.825 528 HB3 ALA 69 2HB ALA 69 8.895 -8.286 5.406 529 H THR 70 H THR 70 7.845 -9.532 7.225 530 HA THR 70 HA THR 70 6.216 -11.904 6.475 531 HB THR 70 HB THR 70 6.678 -11.602 8.954 532 HG1 THR 70 HG1 THR 70 4.140 -11.499 9.308 533 HG21 THR 70 3HG2 THR 70 5.475 -9.863 10.199 534 HG22 THR 70 1HG2 THR 70 4.857 -9.177 8.692 535 HG23 THR 70 2HG2 THR 70 6.585 -9.117 9.048 536 H THR 71 H THR 71 3.859 -11.453 6.415 537 HA THR 71 HA THR 71 3.345 -9.622 4.313 538 HB THR 71 HB THR 71 1.252 -11.057 6.006 539 HG1 THR 71 HG1 THR 71 1.588 -12.767 4.347 540 HG21 THR 71 3HG2 THR 71 0.376 -9.488 4.312 541 HG22 THR 71 1HG2 THR 71 -0.001 -11.161 3.892 542 HG23 THR 71 2HG2 THR 71 1.311 -10.317 3.066 543 H GLU 72 H GLU 72 2.886 -9.496 7.810 544 HA GLU 72 HA GLU 72 1.159 -7.280 8.042 545 HB2 GLU 72 2HB GLU 72 1.648 -8.792 9.945 546 HB3 GLU 72 1HB GLU 72 3.318 -8.227 9.984 547 HG2 GLU 72 2HG GLU 72 2.443 -5.919 10.494 548 HG3 GLU 72 1HG GLU 72 0.827 -6.606 10.604 549 H GLN 73 H GLN 73 4.622 -7.490 7.525 550 HA GLN 73 HA GLN 73 5.414 -4.967 8.489 551 HB2 GLN 73 2HB GLN 73 6.971 -6.852 8.118 552 HB3 GLN 73 1HB GLN 73 6.741 -6.718 6.377 553 HG2 GLN 73 2HG GLN 73 7.775 -4.487 6.404 554 HG3 GLN 73 1HG GLN 73 7.971 -4.587 8.154 555 HE21 GLN 73 1HE2 GLN 73 9.952 -4.252 6.023 556 HE22 GLN 73 2HE2 GLN 73 11.097 -5.525 6.235 557 H TYR 74 H TYR 74 4.108 -5.908 5.355 558 HA TYR 74 HA TYR 74 4.609 -3.181 4.281 559 HB2 TYR 74 2HB TYR 74 4.002 -5.735 2.731 560 HB3 TYR 74 1HB TYR 74 4.391 -4.163 2.035 561 HD1 TYR 74 HD1 TYR 74 6.713 -3.123 2.966 562 HD2 TYR 74 HD2 TYR 74 5.764 -7.291 2.831 563 HE1 TYR 74 HE1 TYR 74 9.108 -3.672 3.013 564 HE2 TYR 74 HE2 TYR 74 8.152 -7.836 2.876 565 HH TYR 74 HH TYR 74 10.520 -5.696 3.769 566 H PHE 75 H PHE 75 2.133 -5.750 4.208 567 HA PHE 75 HA PHE 75 0.271 -4.159 2.739 568 HB2 PHE 75 2HB PHE 75 -0.056 -6.851 4.094 569 HB3 PHE 75 1HB PHE 75 -1.269 -6.122 3.048 570 HD1 PHE 75 HD1 PHE 75 2.198 -7.517 3.107 571 HD2 PHE 75 HD2 PHE 75 -1.083 -6.278 0.659 572 HE1 PHE 75 HE1 PHE 75 3.258 -8.568 1.153 573 HE2 PHE 75 HE2 PHE 75 -0.018 -7.333 -1.293 574 HZ PHE 75 HZ PHE 75 2.155 -8.480 -1.050 575 H VAL 76 H VAL 76 0.741 -4.307 6.213 576 HA VAL 76 HA VAL 76 -1.849 -3.378 6.993 577 HB VAL 76 HB VAL 76 0.877 -2.765 8.224 578 HG11 VAL 76 1HG1 VAL 76 -1.866 -2.180 9.414 579 HG12 VAL 76 2HG1 VAL 76 -0.697 -0.972 8.871 580 HG13 VAL 76 3HG1 VAL 76 -0.322 -1.999 10.256 581 HG21 VAL 76 3HG2 VAL 76 -1.280 -4.723 9.097 582 HG22 VAL 76 1HG2 VAL 76 0.231 -4.409 9.956 583 HG23 VAL 76 2HG2 VAL 76 0.264 -5.142 8.353 584 H LEU 77 H LEU 77 -2.746 -1.281 6.914 585 HA LEU 77 HA LEU 77 -2.129 0.057 4.543 586 HB2 LEU 77 2HB LEU 77 -3.882 1.082 6.798 587 HB3 LEU 77 1HB LEU 77 -3.958 1.563 5.106 588 HG LEU 77 HG LEU 77 -4.752 -1.135 6.288 589 HD11 LEU 77 1HD1 LEU 77 -6.981 -0.621 5.476 590 HD12 LEU 77 2HD1 LEU 77 -6.427 0.931 4.845 591 HD13 LEU 77 3HD1 LEU 77 -6.418 0.623 6.582 592 HD21 LEU 77 3HD2 LEU 77 -3.634 -1.575 4.166 593 HD22 LEU 77 1HD2 LEU 77 -4.649 -0.383 3.350 594 HD23 LEU 77 2HD2 LEU 77 -5.364 -1.856 4.007 595 H LYS 78 H LYS 78 -1.528 1.083 7.959 596 HA LYS 78 HA LYS 78 -0.299 3.570 7.303 597 HB2 LYS 78 2HB LYS 78 0.495 3.680 9.586 598 HB3 LYS 78 1HB LYS 78 -1.120 2.994 9.600 599 HG2 LYS 78 2HG LYS 78 -0.188 0.735 9.917 600 HG3 LYS 78 1HG LYS 78 1.448 1.399 9.861 601 HD2 LYS 78 2HD LYS 78 0.905 2.768 11.891 602 HD3 LYS 78 1HD LYS 78 -0.669 1.971 11.975 603 HE2 LYS 78 2HE LYS 78 0.474 -0.214 12.289 604 HE3 LYS 78 1HE LYS 78 2.038 0.601 12.203 605 HZ1 LYS 78 3HZ LYS 78 1.372 1.911 14.149 606 HZ2 LYS 78 1HZ LYS 78 1.450 0.255 14.470 607 HZ3 LYS 78 2HZ LYS 78 -0.051 1.005 14.264 608 H ASN 79 H ASN 79 1.017 0.289 7.564 609 HA ASN 79 HA ASN 79 3.793 0.962 7.493 610 HB2 ASN 79 2HB ASN 79 2.336 -1.622 6.799 611 HB3 ASN 79 1HB ASN 79 4.091 -1.474 6.767 612 HD21 ASN 79 1HD2 ASN 79 4.372 -2.998 8.356 613 HD22 ASN 79 2HD2 ASN 79 3.958 -2.740 10.004 614 H LEU 80 H LEU 80 1.533 -0.173 5.044 615 HA LEU 80 HA LEU 80 2.929 0.002 2.707 616 HB2 LEU 80 2HB LEU 80 0.619 -0.895 2.961 617 HB3 LEU 80 1HB LEU 80 0.013 0.729 3.226 618 HG LEU 80 HG LEU 80 0.718 1.321 0.876 619 HD11 LEU 80 1HD1 LEU 80 2.454 -0.358 0.523 620 HD12 LEU 80 2HD1 LEU 80 1.221 -0.455 -0.730 621 HD13 LEU 80 3HD1 LEU 80 1.250 -1.649 0.571 622 HD21 LEU 80 3HD2 LEU 80 -1.165 0.203 -0.234 623 HD22 LEU 80 1HD2 LEU 80 -1.614 0.755 1.380 624 HD23 LEU 80 2HD2 LEU 80 -1.282 -0.955 1.093 625 H ALA 81 H ALA 81 1.124 2.542 4.402 626 HA ALA 81 HA ALA 81 1.554 4.676 2.599 627 HB1 ALA 81 3HB ALA 81 -0.224 4.700 4.295 628 HB2 ALA 81 1HB ALA 81 0.795 6.136 4.436 629 HB3 ALA 81 2HB ALA 81 0.983 4.799 5.579 630 H ALA 82 H ALA 82 3.458 3.470 5.307 631 HA ALA 82 HA ALA 82 5.326 5.667 5.396 632 HB1 ALA 82 3HB ALA 82 5.557 2.870 6.579 633 HB2 ALA 82 1HB ALA 82 4.878 4.284 7.392 634 HB3 ALA 82 2HB ALA 82 6.592 4.249 6.967 635 H ARG 83 H ARG 83 5.331 2.408 3.964 636 HA ARG 83 HA ARG 83 7.858 2.401 2.750 637 HB2 ARG 83 2HB ARG 83 5.249 1.076 1.884 638 HB3 ARG 83 1HB ARG 83 6.820 0.701 1.193 639 HG2 ARG 83 2HG ARG 83 6.005 0.225 4.078 640 HG3 ARG 83 1HG ARG 83 6.106 -1.004 2.812 641 HD2 ARG 83 2HD ARG 83 8.407 0.629 3.937 642 HD3 ARG 83 1HD ARG 83 8.089 -1.085 4.232 643 HE ARG 83 HE ARG 83 8.440 -0.345 1.443 644 HH11 ARG 83 1HH1 ARG 83 10.096 -1.470 4.328 645 HH12 ARG 83 2HH1 ARG 83 11.439 -2.112 3.438 646 HH21 ARG 83 1HH2 ARG 83 10.214 -1.126 0.320 647 HH22 ARG 83 2HH2 ARG 83 11.497 -1.928 1.169 648 H ILE 84 H ILE 84 4.758 3.635 1.641 649 HA ILE 84 HA ILE 84 5.608 4.401 -1.000 650 HB ILE 84 HB ILE 84 3.145 5.099 0.646 651 HG12 ILE 84 2HG1 ILE 84 3.440 3.339 -1.827 652 HG13 ILE 84 1HG1 ILE 84 3.474 2.728 -0.177 653 HG21 ILE 84 1HG2 ILE 84 3.512 6.988 -0.878 654 HG22 ILE 84 2HG2 ILE 84 2.120 6.044 -1.408 655 HG23 ILE 84 3HG2 ILE 84 3.663 5.884 -2.250 656 HD11 ILE 84 3HD1 ILE 84 1.318 2.387 -1.215 657 HD12 ILE 84 1HD1 ILE 84 1.139 4.120 -1.482 658 HD13 ILE 84 2HD1 ILE 84 1.186 3.476 0.163 659 H ASP 85 H ASP 85 5.160 6.139 2.082 660 HA ASP 85 HA ASP 85 6.122 8.640 1.490 661 HB2 ASP 85 2HB ASP 85 5.312 8.133 3.709 662 HB3 ASP 85 1HB ASP 85 6.546 6.901 3.951 663 H GLU 86 H GLU 86 8.078 5.708 2.141 664 HA GLU 86 HA GLU 86 10.651 6.817 1.850 665 HB2 GLU 86 2HB GLU 86 10.221 4.590 2.828 666 HB3 GLU 86 1HB GLU 86 9.628 4.006 1.286 667 HG2 GLU 86 2HG GLU 86 11.823 3.121 1.614 668 HG3 GLU 86 1HG GLU 86 11.898 4.314 0.319 669 H LEU 87 H LEU 87 8.524 5.252 -0.553 670 HA LEU 87 HA LEU 87 10.197 5.370 -2.809 671 HB2 LEU 87 2HB LEU 87 7.169 5.271 -2.583 672 HB3 LEU 87 1HB LEU 87 8.029 5.046 -4.101 673 HG LEU 87 HG LEU 87 8.458 3.248 -1.673 674 HD11 LEU 87 1HD1 LEU 87 7.015 1.582 -2.757 675 HD12 LEU 87 2HD1 LEU 87 6.593 2.756 -4.011 676 HD13 LEU 87 3HD1 LEU 87 6.131 3.047 -2.331 677 HD21 LEU 87 3HD2 LEU 87 10.315 3.243 -3.276 678 HD22 LEU 87 1HD2 LEU 87 9.205 2.848 -4.594 679 HD23 LEU 87 2HD2 LEU 87 9.479 1.695 -3.284 680 H VAL 88 H VAL 88 7.666 7.693 -1.751 681 HA VAL 88 HA VAL 88 8.076 9.510 -3.947 682 HB VAL 88 HB VAL 88 6.575 11.087 -2.833 683 HG11 VAL 88 1HG1 VAL 88 5.496 9.219 -4.000 684 HG12 VAL 88 2HG1 VAL 88 4.532 9.704 -2.604 685 HG13 VAL 88 3HG1 VAL 88 5.528 8.246 -2.529 686 HG21 VAL 88 3HG2 VAL 88 6.673 9.287 -0.373 687 HG22 VAL 88 1HG2 VAL 88 5.621 10.696 -0.571 688 HG23 VAL 88 2HG2 VAL 88 7.373 10.903 -0.494 689 H ALA 89 H ALA 89 9.468 9.077 -0.761 690 HA ALA 89 HA ALA 89 10.880 11.560 -0.615 691 HB1 ALA 89 3HB ALA 89 12.254 10.474 1.109 692 HB2 ALA 89 1HB ALA 89 11.593 8.895 0.661 693 HB3 ALA 89 2HB ALA 89 10.545 10.124 1.368 694 H ALA 90 H ALA 90 11.639 8.361 -2.018 695 HA ALA 90 HA ALA 90 14.267 8.748 -2.788 696 HB1 ALA 90 3HB ALA 90 13.900 6.974 -4.441 697 HB2 ALA 90 1HB ALA 90 12.152 7.175 -4.288 698 HB3 ALA 90 2HB ALA 90 13.095 6.588 -2.917 699 H LYS 91 H LYS 91 11.336 9.659 -4.691 700 HA LYS 91 HA LYS 91 12.919 10.794 -6.836 701 HB2 LYS 91 2HB LYS 91 10.805 11.560 -7.808 702 HB3 LYS 91 1HB LYS 91 10.714 9.867 -7.343 703 HG2 LYS 91 2HG LYS 91 9.445 10.541 -5.294 704 HG3 LYS 91 1HG LYS 91 9.461 12.214 -5.869 705 HD2 LYS 91 2HD LYS 91 8.264 11.448 -7.945 706 HD3 LYS 91 1HD LYS 91 8.172 9.823 -7.256 707 HE2 LYS 91 2HE LYS 91 6.065 10.951 -6.898 708 HE3 LYS 91 1HE LYS 91 6.868 10.774 -5.339 709 HZ1 LYS 91 3HZ LYS 91 5.919 12.970 -5.611 710 HZ2 LYS 91 1HZ LYS 91 6.840 13.235 -7.000 711 HZ3 LYS 91 2HZ LYS 91 7.594 13.067 -5.500 712 H GLY 92 H GLY 92 11.214 12.080 -3.994 713 HA2 GLY 92 2HA GLY 92 11.898 14.800 -4.303 714 HA3 GLY 92 1HA GLY 92 11.569 13.989 -2.775 715 H ALA 93 H ALA 93 13.843 12.056 -3.460 716 HA ALA 93 HA ALA 93 15.970 13.474 -2.116 717 HB1 ALA 93 3HB ALA 93 15.573 11.080 -1.682 718 HB2 ALA 93 1HB ALA 93 17.214 11.355 -2.264 719 HB3 ALA 93 2HB ALA 93 15.989 10.700 -3.353 720 H LEU 94 H LEU 94 15.249 12.459 -5.416 721 HA LEU 94 HA LEU 94 17.610 13.145 -6.750 722 HB2 LEU 94 2HB LEU 94 14.735 13.404 -7.696 723 HB3 LEU 94 1HB LEU 94 16.136 13.483 -8.753 724 HG LEU 94 HG LEU 94 15.384 11.028 -7.102 725 HD11 LEU 94 1HD1 LEU 94 13.657 11.462 -8.775 726 HD12 LEU 94 2HD1 LEU 94 14.588 10.026 -9.190 727 HD13 LEU 94 3HD1 LEU 94 14.880 11.543 -10.049 728 HD21 LEU 94 3HD2 LEU 94 17.429 11.364 -9.331 729 HD22 LEU 94 1HD2 LEU 94 17.025 9.849 -8.515 730 HD23 LEU 94 2HD2 LEU 94 17.786 11.157 -7.613 731 H GLU 95 H GLU 95 15.198 15.198 -5.295 732 HA GLU 95 HA GLU 95 16.383 17.694 -6.276 733 HB2 GLU 95 2HB GLU 95 14.281 17.290 -4.098 734 HB3 GLU 95 1HB GLU 95 14.684 18.797 -4.927 735 HG2 GLU 95 2HG GLU 95 13.840 17.820 -7.053 736 HG3 GLU 95 1HG GLU 95 13.383 16.354 -6.185 737 H HIS 96 H HIS 96 18.445 16.582 -5.382 738 HA HIS 96 HA HIS 96 18.872 16.768 -2.477 739 HB2 HIS 96 2HB HIS 96 19.574 14.736 -3.767 740 HB3 HIS 96 1HB HIS 96 20.675 15.719 -4.716 741 HD1 HIS 96 HD1 HIS 96 22.962 16.153 -3.735 742 HD2 HIS 96 HD2 HIS 96 20.393 14.331 -1.029 743 HE1 HIS 96 HE1 HIS 96 24.411 15.421 -1.823 744 HE2 HIS 96 HE2 HIS 96 22.852 14.246 -0.242 745 H HIS 97 H HIS 97 18.452 19.237 -3.162 746 HA HIS 97 HA HIS 97 19.180 21.380 -3.362 747 HB2 HIS 97 2HB HIS 97 21.753 20.124 -2.276 748 HB3 HIS 97 1HB HIS 97 21.532 21.858 -2.457 749 HD1 HIS 97 HD1 HIS 97 21.242 22.765 -0.151 750 HD2 HIS 97 HD2 HIS 97 19.113 19.243 -0.697 751 HE1 HIS 97 HE1 HIS 97 20.009 22.380 2.002 752 HE2 HIS 97 HE2 HIS 97 18.613 20.329 1.588 753 H HIS 98 H HIS 98 22.048 22.124 -4.186 754 HA HIS 98 HA HIS 98 21.954 21.547 -7.023 755 HB2 HIS 98 2HB HIS 98 23.986 22.989 -5.270 756 HB3 HIS 98 1HB HIS 98 24.244 22.724 -6.991 757 HD1 HIS 98 HD1 HIS 98 23.905 25.544 -5.532 758 HD2 HIS 98 HD2 HIS 98 21.040 23.550 -7.793 759 HE1 HIS 98 HE1 HIS 98 22.402 27.344 -6.446 760 HE2 HIS 98 HE2 HIS 98 20.819 26.122 -7.981 761 H HIS 99 H HIS 99 24.022 20.685 -8.070 762 HA HIS 99 HA HIS 99 24.311 17.965 -7.429 763 HB2 HIS 99 2HB HIS 99 26.077 17.950 -9.219 764 HB3 HIS 99 1HB HIS 99 24.581 18.730 -9.719 765 HD1 HIS 99 HD1 HIS 99 24.674 21.226 -10.298 766 HD2 HIS 99 HD2 HIS 99 28.317 19.724 -8.985 767 HE1 HIS 99 HE1 HIS 99 26.345 23.044 -10.727 768 HE2 HIS 99 HE2 HIS 99 28.487 22.192 -9.724 769 H HIS 100 H HIS 100 25.781 16.811 -6.259 770 HA HIS 100 HA HIS 100 28.161 18.145 -5.147 771 HB2 HIS 100 2HB HIS 100 26.278 18.376 -3.465 772 HB3 HIS 100 1HB HIS 100 26.184 16.620 -3.374 773 HD1 HIS 100 HD1 HIS 100 28.102 15.400 -2.092 774 HD2 HIS 100 HD2 HIS 100 28.469 19.540 -2.142 775 HE1 HIS 100 HE1 HIS 100 29.843 15.943 -0.366 776 HE2 HIS 100 HE2 HIS 100 29.907 18.456 -0.287 777 H HIS 101 H HIS 101 29.851 16.787 -4.717 778 HA HIS 101 HA HIS 101 30.038 14.353 -6.170 779 HB2 HIS 101 2HB HIS 101 31.986 15.842 -5.858 780 HB3 HIS 101 1HB HIS 101 31.963 15.558 -4.122 781 HD1 HIS 101 HD1 HIS 101 33.194 13.527 -3.279 782 HD2 HIS 101 HD2 HIS 101 32.803 13.554 -7.414 783 HE1 HIS 101 HE1 HIS 101 34.608 11.621 -4.092 784 HE2 HIS 101 HE2 HIS 101 34.181 11.535 -6.569
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