NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
17584 | 2cqq | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 23.561 -19.103 8.899 2 1HA GLY 1 1HA GLY 1 25.579 -18.259 8.045 3 2HA GLY 1 2HA GLY 1 24.664 -17.116 7.073 4 H SER 2 H SER 2 26.695 -17.400 9.658 5 HA SER 2 HA SER 2 25.768 -15.718 11.627 6 1HB SER 2 1HB SER 2 28.592 -15.963 10.563 7 2HB SER 2 2HB SER 2 28.159 -15.190 12.088 8 HG SER 2 HG SER 2 27.234 -17.783 11.640 9 H SER 3 H SER 3 27.677 -14.764 8.771 10 HA SER 3 HA SER 3 27.733 -12.035 9.193 11 1HB SER 3 1HB SER 3 28.084 -11.807 6.775 12 2HB SER 3 2HB SER 3 29.004 -13.169 7.412 13 HG SER 3 HG SER 3 26.466 -13.372 6.157 14 H GLY 4 H GLY 4 26.390 -10.330 8.779 15 1HA GLY 4 1HA GLY 4 23.745 -10.924 7.632 16 2HA GLY 4 2HA GLY 4 23.852 -10.130 9.196 17 H SER 5 H SER 5 22.553 -9.048 6.932 18 HA SER 5 HA SER 5 24.196 -6.645 6.536 19 1HB SER 5 1HB SER 5 23.483 -6.487 4.207 20 2HB SER 5 2HB SER 5 24.294 -8.029 4.482 21 HG SER 5 HG SER 5 22.380 -9.070 4.377 22 H SER 6 H SER 6 22.790 -4.815 5.621 23 HA SER 6 HA SER 6 20.871 -4.087 7.446 24 1HB SER 6 1HB SER 6 22.047 -2.720 5.548 25 2HB SER 6 2HB SER 6 20.620 -3.151 4.605 26 HG SER 6 HG SER 6 20.678 -1.757 7.077 27 H GLY 7 H GLY 7 18.512 -3.562 6.889 28 1HA GLY 7 1HA GLY 7 17.271 -6.067 6.036 29 2HA GLY 7 2HA GLY 7 16.484 -4.763 6.914 30 H ALA 8 H ALA 8 14.910 -3.900 5.752 31 HA ALA 8 HA ALA 8 15.188 -3.793 2.832 32 1HB ALA 8 1HB ALA 8 12.663 -3.178 3.065 33 2HB ALA 8 2HB ALA 8 13.187 -4.852 3.253 34 3HB ALA 8 3HB ALA 8 12.843 -3.870 4.677 35 HA PRO 9 HA PRO 9 15.769 0.570 2.884 36 1HB PRO 9 1HB PRO 9 14.880 1.155 0.386 37 2HB PRO 9 2HB PRO 9 16.427 0.358 0.693 38 1HG PRO 9 1HG PRO 9 13.806 -0.840 -0.116 39 2HG PRO 9 2HG PRO 9 15.435 -1.208 -0.711 40 1HD PRO 9 1HD PRO 9 14.165 -2.758 1.110 41 2HD PRO 9 2HD PRO 9 15.928 -2.552 1.095 42 H GLU 10 H GLU 10 14.587 2.616 2.602 43 HA GLU 10 HA GLU 10 11.978 2.454 3.757 44 1HB GLU 10 1HB GLU 10 12.037 4.848 3.831 45 2HB GLU 10 2HB GLU 10 13.639 4.259 4.251 46 1HG GLU 10 1HG GLU 10 14.415 4.739 1.989 47 2HG GLU 10 2HG GLU 10 12.808 5.324 1.562 48 H TRP 11 H TRP 11 10.356 4.225 2.719 49 HA TRP 11 HA TRP 11 9.752 3.141 0.070 50 1HB TRP 11 1HB TRP 11 8.110 4.544 2.165 51 2HB TRP 11 2HB TRP 11 7.526 4.380 0.511 52 HD1 TRP 11 HD1 TRP 11 8.268 2.316 3.644 53 HE1 TRP 11 HE1 TRP 11 7.153 0.009 3.394 54 HE3 TRP 11 HE3 TRP 11 6.742 2.676 -1.222 55 HZ2 TRP 11 HZ2 TRP 11 5.806 -1.463 1.397 56 HZ3 TRP 11 HZ3 TRP 11 5.547 0.774 -2.227 57 HH2 TRP 11 HH2 TRP 11 5.090 -1.252 -0.943 58 H THR 12 H THR 12 9.752 4.334 -1.749 59 HA THR 12 HA THR 12 10.238 7.230 -1.486 60 HB THR 12 HB THR 12 11.636 7.134 -3.504 61 HG1 THR 12 HG1 THR 12 11.746 4.328 -3.319 62 1HG2 THR 12 1HG2 THR 12 12.293 5.894 -0.961 63 2HG2 THR 12 2HG2 THR 12 13.238 7.008 -1.949 64 3HG2 THR 12 3HG2 THR 12 13.290 5.276 -2.277 65 H GLU 13 H GLU 13 9.367 8.575 -3.107 66 HA GLU 13 HA GLU 13 6.836 8.333 -3.873 67 1HB GLU 13 1HB GLU 13 9.155 9.641 -5.194 68 2HB GLU 13 2HB GLU 13 7.668 9.521 -6.124 69 1HG GLU 13 1HG GLU 13 6.496 10.889 -4.684 70 2HG GLU 13 2HG GLU 13 7.599 10.594 -3.341 71 H GLU 14 H GLU 14 9.536 6.800 -5.540 72 HA GLU 14 HA GLU 14 8.094 5.826 -7.757 73 1HB GLU 14 1HB GLU 14 10.525 5.910 -7.755 74 2HB GLU 14 2HB GLU 14 10.591 4.754 -6.433 75 1HG GLU 14 1HG GLU 14 9.197 3.959 -8.931 76 2HG GLU 14 2HG GLU 14 10.958 4.021 -8.931 77 H ASP 15 H ASP 15 8.978 4.272 -4.681 78 HA ASP 15 HA ASP 15 7.548 1.868 -5.262 79 1HB ASP 15 1HB ASP 15 9.044 2.973 -2.947 80 2HB ASP 15 2HB ASP 15 7.841 1.735 -2.596 81 H LEU 16 H LEU 16 6.769 4.905 -3.752 82 HA LEU 16 HA LEU 16 4.334 3.962 -2.539 83 1HB LEU 16 1HB LEU 16 5.677 6.607 -2.852 84 2HB LEU 16 2HB LEU 16 3.974 6.554 -2.404 85 HG LEU 16 HG LEU 16 6.139 5.156 -0.844 86 1HD1 LEU 16 1HD1 LEU 16 5.358 7.250 0.700 87 2HD1 LEU 16 2HD1 LEU 16 5.350 7.978 -0.906 88 3HD1 LEU 16 3HD1 LEU 16 6.818 7.219 -0.290 89 1HD2 LEU 16 1HD2 LEU 16 3.230 5.744 -0.390 90 2HD2 LEU 16 2HD2 LEU 16 4.328 5.387 0.943 91 3HD2 LEU 16 3HD2 LEU 16 4.067 4.192 -0.329 92 H SER 17 H SER 17 5.290 5.322 -5.582 93 HA SER 17 HA SER 17 2.577 5.980 -6.365 94 1HB SER 17 1HB SER 17 5.271 6.213 -7.676 95 2HB SER 17 2HB SER 17 3.799 6.371 -8.635 96 HG SER 17 HG SER 17 4.749 8.003 -6.549 97 H GLN 18 H GLN 18 4.909 3.420 -6.837 98 HA GLN 18 HA GLN 18 3.549 2.139 -8.987 99 1HB GLN 18 1HB GLN 18 5.737 1.349 -7.099 100 2HB GLN 18 2HB GLN 18 4.987 0.132 -8.123 101 1HG GLN 18 1HG GLN 18 6.015 2.659 -9.331 102 2HG GLN 18 2HG GLN 18 7.132 1.361 -8.912 103 1HE2 GLN 18 1HE2 GLN 18 5.841 -0.878 -9.549 104 2HE2 GLN 18 2HE2 GLN 18 5.460 -0.926 -11.233 105 H LEU 19 H LEU 19 3.538 1.749 -5.478 106 HA LEU 19 HA LEU 19 2.174 -0.582 -5.129 107 1HB LEU 19 1HB LEU 19 2.960 0.795 -3.287 108 2HB LEU 19 2HB LEU 19 1.737 2.010 -3.651 109 HG LEU 19 HG LEU 19 -0.013 0.346 -3.064 110 1HD1 LEU 19 1HD1 LEU 19 2.215 -1.309 -1.916 111 2HD1 LEU 19 2HD1 LEU 19 1.521 -1.626 -3.505 112 3HD1 LEU 19 3HD1 LEU 19 0.506 -1.718 -2.066 113 1HD2 LEU 19 1HD2 LEU 19 0.503 1.908 -1.386 114 2HD2 LEU 19 2HD2 LEU 19 2.056 1.148 -1.037 115 3HD2 LEU 19 3HD2 LEU 19 0.555 0.338 -0.583 116 H THR 20 H THR 20 0.675 2.606 -5.660 117 HA THR 20 HA THR 20 -1.981 1.869 -5.623 118 HB THR 20 HB THR 20 -0.794 3.900 -7.521 119 HG1 THR 20 HG1 THR 20 -0.111 4.378 -5.428 120 1HG2 THR 20 1HG2 THR 20 -3.368 3.042 -7.385 121 2HG2 THR 20 2HG2 THR 20 -2.885 4.662 -7.888 122 3HG2 THR 20 3HG2 THR 20 -3.392 4.370 -6.225 123 H ARG 21 H ARG 21 0.362 1.542 -8.229 124 HA ARG 21 HA ARG 21 -1.508 0.787 -10.231 125 1HB ARG 21 1HB ARG 21 1.452 0.189 -10.073 126 2HB ARG 21 2HB ARG 21 0.449 0.077 -11.514 127 1HG ARG 21 1HG ARG 21 -0.038 2.609 -10.932 128 2HG ARG 21 2HG ARG 21 1.526 2.466 -10.129 129 1HD ARG 21 1HD ARG 21 2.215 3.086 -12.216 130 2HD ARG 21 2HD ARG 21 2.206 1.334 -12.410 131 HE ARG 21 HE ARG 21 -0.301 2.138 -13.158 132 1HH1 ARG 21 1HH1 ARG 21 2.950 2.897 -14.147 133 2HH1 ARG 21 2HH1 ARG 21 2.510 3.240 -15.787 134 1HH2 ARG 21 1HH2 ARG 21 -0.893 2.587 -15.314 135 2HH2 ARG 21 2HH2 ARG 21 0.324 3.064 -16.450 136 H SER 22 H SER 22 0.612 -1.052 -8.062 137 HA SER 22 HA SER 22 -0.062 -3.605 -9.055 138 1HB SER 22 1HB SER 22 0.882 -4.442 -6.908 139 2HB SER 22 2HB SER 22 1.937 -3.280 -7.712 140 HG SER 22 HG SER 22 0.971 -1.674 -6.294 141 H MET 23 H MET 23 -1.303 -1.740 -6.296 142 HA MET 23 HA MET 23 -3.031 -3.515 -5.158 143 1HB MET 23 1HB MET 23 -3.415 -0.563 -5.659 144 2HB MET 23 2HB MET 23 -4.490 -1.515 -4.644 145 1HG MET 23 1HG MET 23 -2.517 -2.116 -3.245 146 2HG MET 23 2HG MET 23 -1.566 -0.979 -4.198 147 1HE MET 23 1HE MET 23 -4.006 -0.096 -0.572 148 2HE MET 23 2HE MET 23 -4.152 -1.586 -1.504 149 3HE MET 23 3HE MET 23 -2.595 -1.128 -0.811 150 H VAL 24 H VAL 24 -3.460 -1.763 -8.171 151 HA VAL 24 HA VAL 24 -6.196 -2.470 -8.543 152 HB VAL 24 HB VAL 24 -4.132 -1.588 -10.566 153 1HG1 VAL 24 1HG1 VAL 24 -7.114 -1.449 -10.893 154 2HG1 VAL 24 2HG1 VAL 24 -5.859 -1.262 -12.119 155 3HG1 VAL 24 3HG1 VAL 24 -6.182 -2.850 -11.421 156 1HG2 VAL 24 1HG2 VAL 24 -5.013 -0.117 -8.517 157 2HG2 VAL 24 2HG2 VAL 24 -4.657 0.571 -10.101 158 3HG2 VAL 24 3HG2 VAL 24 -6.321 0.188 -9.660 159 H LYS 25 H LYS 25 -3.124 -3.814 -9.673 160 HA LYS 25 HA LYS 25 -4.270 -5.801 -11.342 161 1HB LYS 25 1HB LYS 25 -1.827 -4.871 -11.228 162 2HB LYS 25 2HB LYS 25 -1.595 -6.139 -10.032 163 1HG LYS 25 1HG LYS 25 -2.276 -7.817 -11.665 164 2HG LYS 25 2HG LYS 25 -2.529 -6.548 -12.866 165 1HD LYS 25 1HD LYS 25 -0.106 -5.923 -12.544 166 2HD LYS 25 2HD LYS 25 0.066 -7.401 -11.594 167 1HE LYS 25 1HE LYS 25 0.750 -7.992 -13.759 168 2HE LYS 25 2HE LYS 25 -0.892 -8.616 -13.618 169 1HZ LYS 25 1HZ LYS 25 -0.900 -7.587 -15.666 170 2HZ LYS 25 2HZ LYS 25 0.079 -6.303 -15.162 171 3HZ LYS 25 3HZ LYS 25 -1.539 -6.376 -14.672 172 H PHE 26 H PHE 26 -3.683 -5.588 -7.938 173 HA PHE 26 HA PHE 26 -4.784 -8.290 -7.617 174 1HB PHE 26 1HB PHE 26 -2.635 -7.278 -5.774 175 2HB PHE 26 2HB PHE 26 -3.188 -8.932 -6.019 176 HD1 PHE 26 HD1 PHE 26 -0.670 -6.607 -6.755 177 HD2 PHE 26 HD2 PHE 26 -2.810 -9.879 -8.436 178 HE1 PHE 26 HE1 PHE 26 1.159 -6.974 -8.359 179 HE2 PHE 26 HE2 PHE 26 -0.984 -10.252 -10.043 180 HZ PHE 26 HZ PHE 26 1.004 -8.799 -10.005 181 HA PRO 27 HA PRO 27 -7.220 -5.255 -5.160 182 1HB PRO 27 1HB PRO 27 -9.602 -6.466 -5.635 183 2HB PRO 27 2HB PRO 27 -8.882 -5.295 -6.746 184 1HG PRO 27 1HG PRO 27 -8.867 -8.286 -6.875 185 2HG PRO 27 2HG PRO 27 -9.131 -7.112 -8.177 186 1HD PRO 27 1HD PRO 27 -6.757 -8.358 -7.798 187 2HD PRO 27 2HD PRO 27 -6.877 -6.706 -8.439 188 H GLY 28 H GLY 28 -9.295 -6.098 -3.693 189 1HA GLY 28 1HA GLY 28 -8.029 -7.720 -1.685 190 2HA GLY 28 2HA GLY 28 -9.632 -7.006 -1.593 191 H GLY 29 H GLY 29 -8.715 -9.705 -0.860 192 1HA GLY 29 1HA GLY 29 -9.897 -11.716 -0.836 193 2HA GLY 29 2HA GLY 29 -10.834 -11.154 -2.212 194 H THR 30 H THR 30 -8.148 -10.455 -3.513 195 HA THR 30 HA THR 30 -7.931 -12.794 -5.078 196 HB THR 30 HB THR 30 -6.463 -10.217 -4.919 197 HG1 THR 30 HG1 THR 30 -8.310 -11.083 -6.398 198 1HG2 THR 30 1HG2 THR 30 -4.744 -10.995 -6.495 199 2HG2 THR 30 2HG2 THR 30 -5.334 -12.647 -6.314 200 3HG2 THR 30 3HG2 THR 30 -4.616 -11.811 -4.937 201 HA PRO 31 HA PRO 31 -5.247 -15.267 -2.596 202 1HB PRO 31 1HB PRO 31 -4.394 -16.967 -4.533 203 2HB PRO 31 2HB PRO 31 -6.013 -17.049 -3.828 204 1HG PRO 31 1HG PRO 31 -5.131 -15.813 -6.407 205 2HG PRO 31 2HG PRO 31 -6.561 -16.807 -6.074 206 1HD PRO 31 1HD PRO 31 -6.674 -14.108 -6.259 207 2HD PRO 31 2HD PRO 31 -7.740 -15.037 -5.185 208 H GLY 32 H GLY 32 -3.390 -14.393 -1.896 209 1HA GLY 32 1HA GLY 32 -1.081 -14.082 -1.921 210 2HA GLY 32 2HA GLY 32 -1.077 -14.439 -3.642 211 H ARG 33 H ARG 33 -3.288 -12.076 -2.408 212 HA ARG 33 HA ARG 33 -2.686 -10.063 -4.135 213 1HB ARG 33 1HB ARG 33 -4.611 -10.002 -2.627 214 2HB ARG 33 2HB ARG 33 -3.543 -9.752 -1.253 215 1HG ARG 33 1HG ARG 33 -2.779 -7.632 -2.428 216 2HG ARG 33 2HG ARG 33 -4.167 -7.860 -3.494 217 1HD ARG 33 1HD ARG 33 -5.541 -8.030 -1.330 218 2HD ARG 33 2HD ARG 33 -4.127 -7.331 -0.541 219 HE ARG 33 HE ARG 33 -5.074 -5.860 -2.836 220 1HH1 ARG 33 1HH1 ARG 33 -5.291 -6.302 0.611 221 2HH1 ARG 33 2HH1 ARG 33 -5.894 -4.706 0.909 222 1HH2 ARG 33 1HH2 ARG 33 -5.868 -3.756 -2.456 223 2HH2 ARG 33 2HH2 ARG 33 -6.223 -3.258 -0.836 224 H TRP 34 H TRP 34 -1.654 -9.789 -0.740 225 HA TRP 34 HA TRP 34 0.283 -7.843 -1.185 226 1HB TRP 34 1HB TRP 34 0.155 -9.933 1.000 227 2HB TRP 34 2HB TRP 34 1.199 -8.514 1.027 228 HD1 TRP 34 HD1 TRP 34 -1.852 -9.575 2.527 229 HE1 TRP 34 HE1 TRP 34 -3.396 -7.605 3.130 230 HE3 TRP 34 HE3 TRP 34 0.338 -5.929 -0.310 231 HZ2 TRP 34 HZ2 TRP 34 -3.653 -4.869 2.487 232 HZ3 TRP 34 HZ3 TRP 34 -0.619 -3.662 -0.260 233 HH2 TRP 34 HH2 TRP 34 -2.573 -3.145 1.109 234 H GLU 35 H GLU 35 0.465 -11.325 -1.460 235 HA GLU 35 HA GLU 35 3.285 -11.548 -1.530 236 1HB GLU 35 1HB GLU 35 0.984 -13.286 -2.239 237 2HB GLU 35 2HB GLU 35 2.536 -13.689 -2.959 238 1HG GLU 35 1HG GLU 35 3.510 -13.690 -0.659 239 2HG GLU 35 2HG GLU 35 1.873 -13.509 -0.033 240 H LYS 36 H LYS 36 0.879 -10.776 -3.936 241 HA LYS 36 HA LYS 36 2.731 -11.034 -6.146 242 1HB LYS 36 1HB LYS 36 -0.080 -9.922 -6.040 243 2HB LYS 36 2HB LYS 36 0.849 -10.189 -7.510 244 1HG LYS 36 1HG LYS 36 0.511 -12.420 -7.484 245 2HG LYS 36 2HG LYS 36 0.535 -12.515 -5.721 246 1HD LYS 36 1HD LYS 36 -1.698 -12.067 -5.531 247 2HD LYS 36 2HD LYS 36 -1.741 -11.099 -7.007 248 1HE LYS 36 1HE LYS 36 -1.227 -14.038 -7.169 249 2HE LYS 36 2HE LYS 36 -2.873 -13.451 -6.943 250 1HZ LYS 36 1HZ LYS 36 -2.598 -13.640 -9.240 251 2HZ LYS 36 2HZ LYS 36 -1.050 -12.957 -9.218 252 3HZ LYS 36 3HZ LYS 36 -2.407 -11.986 -8.940 253 H ILE 37 H ILE 37 1.082 -8.406 -4.421 254 HA ILE 37 HA ILE 37 2.078 -6.274 -5.930 255 HB ILE 37 HB ILE 37 1.283 -6.380 -3.021 256 1HG1 ILE 37 1HG1 ILE 37 -0.187 -5.231 -5.399 257 2HG1 ILE 37 2HG1 ILE 37 -0.452 -6.859 -4.785 258 1HG2 ILE 37 1HG2 ILE 37 2.389 -4.428 -2.880 259 2HG2 ILE 37 2HG2 ILE 37 2.436 -4.209 -4.628 260 3HG2 ILE 37 3HG2 ILE 37 0.982 -3.784 -3.726 261 1HD1 ILE 37 1HD1 ILE 37 -2.071 -5.893 -3.589 262 2HD1 ILE 37 2HD1 ILE 37 -0.756 -5.382 -2.531 263 3HD1 ILE 37 3HD1 ILE 37 -1.376 -4.282 -3.762 264 H ALA 38 H ALA 38 3.463 -8.023 -3.205 265 HA ALA 38 HA ALA 38 5.633 -6.276 -2.728 266 1HB ALA 38 1HB ALA 38 5.965 -9.172 -2.190 267 2HB ALA 38 2HB ALA 38 6.305 -7.779 -1.162 268 3HB ALA 38 3HB ALA 38 4.645 -8.337 -1.371 269 H HIS 39 H HIS 39 5.385 -9.280 -4.619 270 HA HIS 39 HA HIS 39 8.051 -9.368 -5.479 271 1HB HIS 39 1HB HIS 39 6.709 -11.324 -5.736 272 2HB HIS 39 2HB HIS 39 5.513 -10.458 -6.695 273 HD1 HIS 39 HD1 HIS 39 9.080 -11.703 -6.939 274 HD2 HIS 39 HD2 HIS 39 5.945 -10.514 -9.393 275 HE1 HIS 39 HE1 HIS 39 9.824 -12.230 -9.282 276 H GLU 40 H GLU 40 5.368 -7.447 -6.525 277 HA GLU 40 HA GLU 40 6.587 -6.704 -9.040 278 1HB GLU 40 1HB GLU 40 4.093 -5.826 -7.596 279 2HB GLU 40 2HB GLU 40 4.647 -5.031 -9.063 280 1HG GLU 40 1HG GLU 40 4.060 -7.974 -8.863 281 2HG GLU 40 2HG GLU 40 2.902 -6.766 -9.417 282 H LEU 41 H LEU 41 5.813 -5.062 -5.978 283 HA LEU 41 HA LEU 41 7.108 -2.635 -6.679 284 1HB LEU 41 1HB LEU 41 6.293 -3.783 -4.018 285 2HB LEU 41 2HB LEU 41 6.961 -2.165 -4.221 286 HG LEU 41 HG LEU 41 4.319 -3.207 -5.223 287 1HD1 LEU 41 1HD1 LEU 41 5.128 -1.889 -2.863 288 2HD1 LEU 41 2HD1 LEU 41 3.491 -2.270 -3.396 289 3HD1 LEU 41 3HD1 LEU 41 4.222 -0.724 -3.829 290 1HD2 LEU 41 1HD2 LEU 41 5.813 -0.696 -5.927 291 2HD2 LEU 41 2HD2 LEU 41 4.059 -0.820 -6.060 292 3HD2 LEU 41 3HD2 LEU 41 5.094 -1.888 -7.010 293 H GLY 42 H GLY 42 8.195 -5.639 -5.327 294 1HA GLY 42 1HA GLY 42 10.450 -6.327 -5.320 295 2HA GLY 42 2HA GLY 42 10.941 -4.642 -5.408 296 H ARG 43 H ARG 43 8.537 -5.578 -3.100 297 HA ARG 43 HA ARG 43 10.555 -5.426 -0.958 298 1HB ARG 43 1HB ARG 43 7.797 -4.203 -1.057 299 2HB ARG 43 2HB ARG 43 8.721 -4.370 0.430 300 1HG ARG 43 1HG ARG 43 10.471 -2.951 -0.466 301 2HG ARG 43 2HG ARG 43 9.607 -2.828 -2.000 302 1HD ARG 43 1HD ARG 43 7.673 -1.869 -0.672 303 2HD ARG 43 2HD ARG 43 8.791 -1.747 0.686 304 HE ARG 43 HE ARG 43 8.633 0.002 -1.543 305 1HH1 ARG 43 1HH1 ARG 43 10.890 -1.469 0.662 306 2HH1 ARG 43 2HH1 ARG 43 12.058 -0.197 0.520 307 1HH2 ARG 43 1HH2 ARG 43 10.163 1.682 -1.739 308 2HH2 ARG 43 2HH2 ARG 43 11.643 1.595 -0.845 309 H SER 44 H SER 44 9.232 -6.093 1.218 310 HA SER 44 HA SER 44 8.435 -8.851 0.697 311 1HB SER 44 1HB SER 44 9.501 -7.362 3.047 312 2HB SER 44 2HB SER 44 8.481 -8.765 3.365 313 HG SER 44 HG SER 44 11.038 -8.634 2.365 314 H VAL 45 H VAL 45 6.483 -9.727 1.282 315 HA VAL 45 HA VAL 45 4.150 -8.485 0.972 316 HB VAL 45 HB VAL 45 4.803 -10.685 2.913 317 1HG1 VAL 45 1HG1 VAL 45 2.167 -10.960 2.737 318 2HG1 VAL 45 2HG1 VAL 45 2.927 -9.997 4.005 319 3HG1 VAL 45 3HG1 VAL 45 2.252 -9.206 2.580 320 1HG2 VAL 45 1HG2 VAL 45 3.055 -11.636 1.033 321 2HG2 VAL 45 2HG2 VAL 45 3.997 -10.463 0.112 322 3HG2 VAL 45 3HG2 VAL 45 4.812 -11.779 0.957 323 H THR 46 H THR 46 5.162 -9.118 4.326 324 HA THR 46 HA THR 46 3.448 -7.414 5.604 325 HB THR 46 HB THR 46 4.802 -8.897 6.906 326 HG1 THR 46 HG1 THR 46 5.746 -7.295 8.411 327 1HG2 THR 46 1HG2 THR 46 7.327 -7.481 6.829 328 2HG2 THR 46 2HG2 THR 46 6.879 -8.095 5.238 329 3HG2 THR 46 3HG2 THR 46 6.995 -9.198 6.609 330 H ASP 47 H ASP 47 6.539 -6.619 4.101 331 HA ASP 47 HA ASP 47 6.823 -4.005 5.042 332 1HB ASP 47 1HB ASP 47 8.390 -5.546 3.568 333 2HB ASP 47 2HB ASP 47 7.638 -4.661 2.244 334 H VAL 48 H VAL 48 4.986 -5.287 2.322 335 HA VAL 48 HA VAL 48 4.232 -2.693 1.338 336 HB VAL 48 HB VAL 48 2.639 -5.096 0.614 337 1HG1 VAL 48 1HG1 VAL 48 3.147 -2.500 -0.418 338 2HG1 VAL 48 2HG1 VAL 48 3.725 -3.681 -1.595 339 3HG1 VAL 48 3HG1 VAL 48 2.052 -3.735 -1.037 340 1HG2 VAL 48 1HG2 VAL 48 5.575 -4.814 0.171 341 2HG2 VAL 48 2HG2 VAL 48 4.625 -6.256 0.533 342 3HG2 VAL 48 3HG2 VAL 48 4.580 -5.553 -1.084 343 H THR 49 H THR 49 2.223 -5.377 2.559 344 HA THR 49 HA THR 49 -0.125 -4.036 2.943 345 HB THR 49 HB THR 49 -0.411 -6.257 3.390 346 HG1 THR 49 HG1 THR 49 0.091 -5.690 6.093 347 1HG2 THR 49 1HG2 THR 49 1.693 -7.185 3.450 348 2HG2 THR 49 2HG2 THR 49 1.201 -7.402 5.130 349 3HG2 THR 49 3HG2 THR 49 2.267 -6.069 4.688 350 H THR 50 H THR 50 2.602 -4.223 5.200 351 HA THR 50 HA THR 50 1.432 -2.854 7.341 352 HB THR 50 HB THR 50 4.335 -2.994 6.510 353 HG1 THR 50 HG1 THR 50 3.209 -4.979 7.126 354 1HG2 THR 50 1HG2 THR 50 2.997 -1.572 8.710 355 2HG2 THR 50 2HG2 THR 50 4.586 -1.312 7.992 356 3HG2 THR 50 3HG2 THR 50 4.359 -2.581 9.195 357 H LYS 51 H LYS 51 2.774 -1.706 4.349 358 HA LYS 51 HA LYS 51 2.904 1.050 5.244 359 1HB LYS 51 1HB LYS 51 4.610 0.446 3.714 360 2HB LYS 51 2HB LYS 51 3.465 -0.319 2.620 361 1HG LYS 51 1HG LYS 51 4.330 1.852 1.808 362 2HG LYS 51 2HG LYS 51 2.573 1.805 1.968 363 1HD LYS 51 1HD LYS 51 3.133 3.862 2.898 364 2HD LYS 51 2HD LYS 51 2.990 2.812 4.310 365 1HE LYS 51 1HE LYS 51 4.983 3.801 4.794 366 2HE LYS 51 2HE LYS 51 5.571 2.446 3.831 367 1HZ LYS 51 1HZ LYS 51 6.533 4.639 3.225 368 2HZ LYS 51 2HZ LYS 51 4.999 5.132 2.710 369 3HZ LYS 51 3HZ LYS 51 5.777 3.844 1.937 370 H ALA 52 H ALA 52 1.010 -0.856 2.915 371 HA ALA 52 HA ALA 52 -0.666 1.206 2.036 372 1HB ALA 52 1HB ALA 52 -0.353 -1.204 1.141 373 2HB ALA 52 2HB ALA 52 -1.645 -1.611 2.271 374 3HB ALA 52 3HB ALA 52 -1.931 -0.429 0.994 375 H LYS 53 H LYS 53 -1.048 -1.096 4.708 376 HA LYS 53 HA LYS 53 -3.607 -0.552 5.525 377 1HB LYS 53 1HB LYS 53 -2.812 -1.095 7.840 378 2HB LYS 53 2HB LYS 53 -2.347 -2.270 6.616 379 1HG LYS 53 1HG LYS 53 -0.371 -2.074 7.712 380 2HG LYS 53 2HG LYS 53 -0.165 -0.779 6.531 381 1HD LYS 53 1HD LYS 53 0.408 0.323 8.459 382 2HD LYS 53 2HD LYS 53 -1.322 0.665 8.401 383 1HE LYS 53 1HE LYS 53 -1.649 -1.371 9.855 384 2HE LYS 53 2HE LYS 53 0.101 -1.405 10.061 385 1HZ LYS 53 1HZ LYS 53 -1.567 0.957 10.717 386 2HZ LYS 53 2HZ LYS 53 0.056 0.698 11.117 387 3HZ LYS 53 3HZ LYS 53 -1.153 -0.230 11.849 388 H GLN 54 H GLN 54 -0.697 1.346 6.124 389 HA GLN 54 HA GLN 54 -1.855 3.174 7.943 390 1HB GLN 54 1HB GLN 54 0.494 3.557 6.078 391 2HB GLN 54 2HB GLN 54 0.093 4.595 7.440 392 1HG GLN 54 1HG GLN 54 0.259 2.372 8.801 393 2HG GLN 54 2HG GLN 54 1.219 1.840 7.422 394 1HE2 GLN 54 1HE2 GLN 54 3.289 1.983 7.871 395 2HE2 GLN 54 2HE2 GLN 54 4.065 3.275 8.714 396 H LEU 55 H LEU 55 -1.680 3.058 4.441 397 HA LEU 55 HA LEU 55 -2.603 5.722 4.014 398 1HB LEU 55 1HB LEU 55 -2.805 3.403 2.107 399 2HB LEU 55 2HB LEU 55 -2.790 5.120 1.712 400 HG LEU 55 HG LEU 55 -0.451 3.605 2.867 401 1HD1 LEU 55 1HD1 LEU 55 -0.266 2.757 0.808 402 2HD1 LEU 55 2HD1 LEU 55 0.245 4.379 0.340 403 3HD1 LEU 55 3HD1 LEU 55 -1.437 3.891 0.133 404 1HD2 LEU 55 1HD2 LEU 55 -0.145 5.835 3.451 405 2HD2 LEU 55 2HD2 LEU 55 -0.880 6.430 1.962 406 3HD2 LEU 55 3HD2 LEU 55 0.724 5.695 1.923 407 H LYS 56 H LYS 56 -4.149 2.569 4.256 408 HA LYS 56 HA LYS 56 -6.738 3.475 3.467 409 1HB LYS 56 1HB LYS 56 -5.761 0.991 4.868 410 2HB LYS 56 2HB LYS 56 -7.464 1.273 4.533 411 1HG LYS 56 1HG LYS 56 -6.883 1.480 2.119 412 2HG LYS 56 2HG LYS 56 -5.236 0.995 2.530 413 1HD LYS 56 1HD LYS 56 -7.549 -0.695 3.391 414 2HD LYS 56 2HD LYS 56 -6.957 -0.792 1.730 415 1HE LYS 56 1HE LYS 56 -4.980 -0.950 3.947 416 2HE LYS 56 2HE LYS 56 -6.005 -2.352 3.644 417 1HZ LYS 56 1HZ LYS 56 -4.402 -1.027 1.531 418 2HZ LYS 56 2HZ LYS 56 -5.191 -2.520 1.443 419 3HZ LYS 56 3HZ LYS 56 -3.835 -2.338 2.437 420 H ASP 57 H ASP 57 -4.978 3.360 6.461 421 HA ASP 57 HA ASP 57 -7.232 3.658 8.186 422 1HB ASP 57 1HB ASP 57 -4.266 3.872 8.501 423 2HB ASP 57 2HB ASP 57 -5.305 4.524 9.765 424 H SER 58 H SER 58 -4.744 5.926 7.023 425 HA SER 58 HA SER 58 -6.315 8.171 8.021 426 1HB SER 58 1HB SER 58 -3.627 8.206 6.629 427 2HB SER 58 2HB SER 58 -4.378 9.538 7.508 428 HG SER 58 HG SER 58 -4.349 7.921 9.337 429 H VAL 59 H VAL 59 -8.078 8.064 6.580 430 HA VAL 59 HA VAL 59 -7.456 9.090 3.893 431 HB VAL 59 HB VAL 59 -9.462 7.820 3.055 432 1HG1 VAL 59 1HG1 VAL 59 -6.801 6.963 3.488 433 2HG1 VAL 59 2HG1 VAL 59 -7.855 5.570 3.739 434 3HG1 VAL 59 3HG1 VAL 59 -7.919 6.463 2.219 435 1HG2 VAL 59 1HG2 VAL 59 -9.134 6.013 5.414 436 2HG2 VAL 59 2HG2 VAL 59 -10.213 7.405 5.513 437 3HG2 VAL 59 3HG2 VAL 59 -10.489 6.160 4.295 438 H THR 60 H THR 60 -9.560 9.958 2.849 439 HA THR 60 HA THR 60 -11.055 11.468 4.894 440 HB THR 60 HB THR 60 -11.317 13.228 3.066 441 HG1 THR 60 HG1 THR 60 -8.951 12.158 1.971 442 1HG2 THR 60 1HG2 THR 60 -8.439 12.934 3.831 443 2HG2 THR 60 2HG2 THR 60 -9.660 13.176 5.080 444 3HG2 THR 60 3HG2 THR 60 -9.449 14.379 3.808 445 H CYS 61 H CYS 61 -12.933 10.345 5.003 446 HA CYS 61 HA CYS 61 -14.655 10.431 2.668 447 1HB CYS 61 1HB CYS 61 -15.283 8.052 2.849 448 2HB CYS 61 2HB CYS 61 -13.588 8.253 2.421 449 HG CYS 61 HG CYS 61 -12.712 6.720 4.271 450 H SER 62 H SER 62 -16.913 9.885 3.207 451 HA SER 62 HA SER 62 -17.964 11.319 5.246 452 1HB SER 62 1HB SER 62 -19.024 8.775 4.009 453 2HB SER 62 2HB SER 62 -19.967 9.763 5.125 454 HG SER 62 HG SER 62 -20.502 10.580 3.200 455 HA PRO 63 HA PRO 63 -16.961 9.320 9.037 456 1HB PRO 63 1HB PRO 63 -18.936 10.345 10.593 457 2HB PRO 63 2HB PRO 63 -17.545 11.295 10.056 458 1HG PRO 63 1HG PRO 63 -20.321 11.202 8.939 459 2HG PRO 63 2HG PRO 63 -19.277 12.606 9.226 460 1HD PRO 63 1HD PRO 63 -19.591 11.501 6.774 461 2HD PRO 63 2HD PRO 63 -18.074 12.266 7.290 462 H GLY 64 H GLY 64 -19.954 8.855 7.401 463 1HA GLY 64 1HA GLY 64 -20.201 6.176 8.283 464 2HA GLY 64 2HA GLY 64 -21.346 7.191 9.148 465 H MET 65 H MET 65 -20.350 6.089 5.951 466 HA MET 65 HA MET 65 -22.339 7.294 4.422 467 1HB MET 65 1HB MET 65 -20.426 6.139 3.434 468 2HB MET 65 2HB MET 65 -21.028 4.598 4.029 469 1HG MET 65 1HG MET 65 -23.153 5.266 2.635 470 2HG MET 65 2HG MET 65 -21.991 6.271 1.772 471 1HE MET 65 1HE MET 65 -22.884 3.039 3.202 472 2HE MET 65 2HE MET 65 -22.911 2.010 1.769 473 3HE MET 65 3HE MET 65 -21.496 2.018 2.823 474 H VAL 66 H VAL 66 -24.292 7.258 5.577 475 HA VAL 66 HA VAL 66 -25.575 4.619 5.823 476 HB VAL 66 HB VAL 66 -25.496 5.727 7.951 477 1HG1 VAL 66 1HG1 VAL 66 -25.183 7.973 7.651 478 2HG1 VAL 66 2HG1 VAL 66 -26.397 8.085 6.375 479 3HG1 VAL 66 3HG1 VAL 66 -26.898 7.957 8.062 480 1HG2 VAL 66 1HG2 VAL 66 -27.773 5.650 8.554 481 2HG2 VAL 66 2HG2 VAL 66 -28.299 6.149 6.947 482 3HG2 VAL 66 3HG2 VAL 66 -27.611 4.543 7.190 483 H SER 67 H SER 67 -27.809 4.430 5.232 484 HA SER 67 HA SER 67 -28.430 5.955 2.849 485 1HB SER 67 1HB SER 67 -29.947 3.677 4.145 486 2HB SER 67 2HB SER 67 -30.250 4.343 2.540 487 HG SER 67 HG SER 67 -28.858 2.899 1.920 488 H GLY 68 H GLY 68 -29.928 5.319 6.009 489 1HA GLY 68 1HA GLY 68 -31.078 7.941 6.087 490 2HA GLY 68 2HA GLY 68 -32.283 6.704 5.764 491 HA PRO 69 HA PRO 69 -30.970 7.054 10.389 492 1HB PRO 69 1HB PRO 69 -32.661 8.980 11.282 493 2HB PRO 69 2HB PRO 69 -31.025 9.328 10.711 494 1HG PRO 69 1HG PRO 69 -33.633 9.602 9.267 495 2HG PRO 69 2HG PRO 69 -32.250 10.710 9.298 496 1HD PRO 69 1HD PRO 69 -32.712 9.014 7.239 497 2HD PRO 69 2HD PRO 69 -31.075 9.488 7.737 498 H SER 70 H SER 70 -34.078 7.326 8.751 499 HA SER 70 HA SER 70 -35.097 5.073 10.241 500 1HB SER 70 1HB SER 70 -35.617 7.019 11.714 501 2HB SER 70 2HB SER 70 -36.562 7.718 10.400 502 HG SER 70 HG SER 70 -38.103 6.605 11.329 503 H SER 71 H SER 71 -36.295 3.854 8.934 504 HA SER 71 HA SER 71 -36.897 4.772 6.278 505 1HB SER 71 1HB SER 71 -37.643 2.152 7.599 506 2HB SER 71 2HB SER 71 -37.654 2.495 5.869 507 HG SER 71 HG SER 71 -35.753 1.388 6.558 508 H GLY 72 H GLY 72 -38.905 3.427 8.909 509 1HA GLY 72 1HA GLY 72 -41.288 4.530 7.633 510 2HA GLY 72 2HA GLY 72 -41.256 3.434 9.006 Start of MODEL 2 1 1H GLY 1 1H GLY 1 27.959 3.345 -4.081 2 1HA GLY 1 1HA GLY 1 28.266 0.453 -3.556 3 2HA GLY 1 2HA GLY 1 28.118 1.669 -2.296 4 H SER 2 H SER 2 26.293 1.001 -1.291 5 HA SER 2 HA SER 2 24.080 0.640 -0.907 6 1HB SER 2 1HB SER 2 24.051 2.494 -3.256 7 2HB SER 2 2HB SER 2 22.535 1.772 -2.719 8 HG SER 2 HG SER 2 22.844 3.716 -1.644 9 H SER 3 H SER 3 25.511 -1.385 -2.279 10 HA SER 3 HA SER 3 23.599 -2.427 -4.237 11 1HB SER 3 1HB SER 3 26.451 -3.069 -3.559 12 2HB SER 3 2HB SER 3 25.460 -4.258 -4.404 13 HG SER 3 HG SER 3 26.110 -3.154 -6.088 14 H GLY 4 H GLY 4 25.325 -3.487 -1.304 15 1HA GLY 4 1HA GLY 4 23.524 -5.756 -1.020 16 2HA GLY 4 2HA GLY 4 24.913 -5.392 -0.006 17 H SER 5 H SER 5 22.176 -6.132 0.748 18 HA SER 5 HA SER 5 21.752 -4.003 2.677 19 1HB SER 5 1HB SER 5 19.283 -3.949 2.174 20 2HB SER 5 2HB SER 5 20.300 -3.234 0.923 21 HG SER 5 HG SER 5 19.605 -4.685 -0.419 22 H SER 6 H SER 6 20.313 -4.635 4.421 23 HA SER 6 HA SER 6 20.236 -7.561 4.754 24 1HB SER 6 1HB SER 6 20.468 -5.376 6.836 25 2HB SER 6 2HB SER 6 20.295 -7.092 7.204 26 HG SER 6 HG SER 6 22.497 -6.308 7.180 27 H GLY 7 H GLY 7 18.478 -4.557 5.450 28 1HA GLY 7 1HA GLY 7 16.064 -6.143 6.005 29 2HA GLY 7 2HA GLY 7 16.302 -4.458 6.443 30 H ALA 8 H ALA 8 15.176 -3.063 5.277 31 HA ALA 8 HA ALA 8 14.893 -3.448 2.408 32 1HB ALA 8 1HB ALA 8 12.349 -2.792 3.759 33 2HB ALA 8 2HB ALA 8 12.652 -3.743 2.305 34 3HB ALA 8 3HB ALA 8 12.910 -4.459 3.896 35 HA PRO 9 HA PRO 9 15.390 0.925 2.441 36 1HB PRO 9 1HB PRO 9 14.387 1.498 -0.015 37 2HB PRO 9 2HB PRO 9 15.959 0.728 0.224 38 1HG PRO 9 1HG PRO 9 13.328 -0.516 -0.476 39 2HG PRO 9 2HG PRO 9 14.937 -0.853 -1.140 40 1HD PRO 9 1HD PRO 9 13.773 -2.429 0.729 41 2HD PRO 9 2HD PRO 9 15.530 -2.191 0.641 42 H GLU 10 H GLU 10 14.232 2.846 2.691 43 HA GLU 10 HA GLU 10 11.670 2.658 3.797 44 1HB GLU 10 1HB GLU 10 11.682 5.055 3.896 45 2HB GLU 10 2HB GLU 10 13.313 4.488 4.230 46 1HG GLU 10 1HG GLU 10 13.764 4.895 1.747 47 2HG GLU 10 2HG GLU 10 12.262 5.817 1.761 48 H TRP 11 H TRP 11 9.955 4.414 2.886 49 HA TRP 11 HA TRP 11 9.248 3.389 0.233 50 1HB TRP 11 1HB TRP 11 7.654 4.561 2.495 51 2HB TRP 11 2HB TRP 11 6.985 4.492 0.867 52 HD1 TRP 11 HD1 TRP 11 7.828 2.301 3.851 53 HE1 TRP 11 HE1 TRP 11 6.878 -0.058 3.456 54 HE3 TRP 11 HE3 TRP 11 6.424 2.800 -1.039 55 HZ2 TRP 11 HZ2 TRP 11 5.691 -1.515 1.350 56 HZ3 TRP 11 HZ3 TRP 11 5.388 0.876 -2.171 57 HH2 TRP 11 HH2 TRP 11 5.031 -1.236 -1.000 58 H THR 12 H THR 12 9.561 4.630 -1.482 59 HA THR 12 HA THR 12 9.631 7.554 -1.112 60 HB THR 12 HB THR 12 11.163 7.713 -2.978 61 HG1 THR 12 HG1 THR 12 11.233 6.137 -4.376 62 1HG2 THR 12 1HG2 THR 12 11.963 5.662 -0.917 63 2HG2 THR 12 2HG2 THR 12 12.255 7.401 -0.880 64 3HG2 THR 12 3HG2 THR 12 13.095 6.391 -2.056 65 H GLU 13 H GLU 13 8.792 8.865 -2.821 66 HA GLU 13 HA GLU 13 6.307 8.459 -3.680 67 1HB GLU 13 1HB GLU 13 8.586 9.923 -4.902 68 2HB GLU 13 2HB GLU 13 7.151 9.706 -5.894 69 1HG GLU 13 1HG GLU 13 5.841 11.012 -4.533 70 2HG GLU 13 2HG GLU 13 6.858 10.746 -3.118 71 H GLU 14 H GLU 14 9.174 7.224 -5.350 72 HA GLU 14 HA GLU 14 7.875 6.125 -7.577 73 1HB GLU 14 1HB GLU 14 10.361 6.446 -7.272 74 2HB GLU 14 2HB GLU 14 10.351 5.010 -6.257 75 1HG GLU 14 1HG GLU 14 9.295 3.826 -8.261 76 2HG GLU 14 2HG GLU 14 9.809 5.230 -9.194 77 H ASP 15 H ASP 15 8.729 4.665 -4.454 78 HA ASP 15 HA ASP 15 7.568 2.131 -5.093 79 1HB ASP 15 1HB ASP 15 8.811 3.385 -2.704 80 2HB ASP 15 2HB ASP 15 7.714 2.038 -2.415 81 H LEU 16 H LEU 16 6.423 5.092 -3.669 82 HA LEU 16 HA LEU 16 4.023 3.941 -2.578 83 1HB LEU 16 1HB LEU 16 5.126 6.696 -2.879 84 2HB LEU 16 2HB LEU 16 3.409 6.492 -2.534 85 HG LEU 16 HG LEU 16 5.575 5.311 -0.807 86 1HD1 LEU 16 1HD1 LEU 16 4.489 8.064 -0.920 87 2HD1 LEU 16 2HD1 LEU 16 6.077 7.488 -0.415 88 3HD1 LEU 16 3HD1 LEU 16 4.698 7.339 0.674 89 1HD2 LEU 16 1HD2 LEU 16 2.624 5.476 -0.734 90 2HD2 LEU 16 2HD2 LEU 16 3.472 5.711 0.795 91 3HD2 LEU 16 3HD2 LEU 16 3.709 4.225 -0.126 92 H SER 17 H SER 17 4.992 5.452 -5.568 93 HA SER 17 HA SER 17 2.292 5.805 -6.522 94 1HB SER 17 1HB SER 17 4.529 7.097 -7.155 95 2HB SER 17 2HB SER 17 4.624 5.837 -8.386 96 HG SER 17 HG SER 17 2.395 7.543 -7.954 97 H GLN 18 H GLN 18 4.870 3.454 -6.868 98 HA GLN 18 HA GLN 18 3.749 2.009 -9.028 99 1HB GLN 18 1HB GLN 18 5.819 1.413 -6.945 100 2HB GLN 18 2HB GLN 18 5.233 0.123 -7.986 101 1HG GLN 18 1HG GLN 18 6.134 2.651 -9.255 102 2HG GLN 18 2HG GLN 18 7.352 1.554 -8.607 103 1HE2 GLN 18 1HE2 GLN 18 4.535 1.666 -10.737 104 2HE2 GLN 18 2HE2 GLN 18 5.089 0.447 -11.828 105 H LEU 19 H LEU 19 3.396 1.789 -5.534 106 HA LEU 19 HA LEU 19 2.125 -0.659 -5.301 107 1HB LEU 19 1HB LEU 19 2.833 0.663 -3.388 108 2HB LEU 19 2HB LEU 19 1.612 1.879 -3.755 109 HG LEU 19 HG LEU 19 -0.141 0.184 -3.284 110 1HD1 LEU 19 1HD1 LEU 19 0.376 -1.904 -2.304 111 2HD1 LEU 19 2HD1 LEU 19 2.083 -1.491 -2.149 112 3HD1 LEU 19 3HD1 LEU 19 1.386 -1.770 -3.744 113 1HD2 LEU 19 1HD2 LEU 19 0.160 0.207 -0.843 114 2HD2 LEU 19 2HD2 LEU 19 0.502 1.775 -1.574 115 3HD2 LEU 19 3HD2 LEU 19 1.830 0.729 -1.067 116 H THR 20 H THR 20 0.536 2.524 -5.591 117 HA THR 20 HA THR 20 -2.077 1.792 -5.719 118 HB THR 20 HB THR 20 -0.853 3.841 -7.573 119 HG1 THR 20 HG1 THR 20 -0.199 4.444 -5.564 120 1HG2 THR 20 1HG2 THR 20 -3.328 3.088 -7.770 121 2HG2 THR 20 2HG2 THR 20 -2.961 4.813 -7.726 122 3HG2 THR 20 3HG2 THR 20 -3.550 3.999 -6.276 123 H ARG 21 H ARG 21 0.292 1.580 -8.329 124 HA ARG 21 HA ARG 21 -1.546 0.799 -10.344 125 1HB ARG 21 1HB ARG 21 1.391 0.117 -10.275 126 2HB ARG 21 2HB ARG 21 0.362 0.317 -11.687 127 1HG ARG 21 1HG ARG 21 0.085 2.751 -10.695 128 2HG ARG 21 2HG ARG 21 1.645 2.361 -9.966 129 1HD ARG 21 1HD ARG 21 2.143 3.405 -12.019 130 2HD ARG 21 2HD ARG 21 2.402 1.682 -12.284 131 HE ARG 21 HE ARG 21 -0.227 2.625 -13.006 132 1HH1 ARG 21 1HH1 ARG 21 3.041 2.068 -14.071 133 2HH1 ARG 21 2HH1 ARG 21 2.617 1.974 -15.748 134 1HH2 ARG 21 1HH2 ARG 21 -0.798 2.504 -15.211 135 2HH2 ARG 21 2HH2 ARG 21 0.433 2.223 -16.395 136 H SER 22 H SER 22 0.720 -1.060 -8.325 137 HA SER 22 HA SER 22 0.092 -3.594 -9.324 138 1HB SER 22 1HB SER 22 0.856 -4.323 -6.933 139 2HB SER 22 2HB SER 22 2.017 -3.549 -8.012 140 HG SER 22 HG SER 22 1.862 -2.724 -5.776 141 H MET 23 H MET 23 -1.207 -1.902 -6.474 142 HA MET 23 HA MET 23 -2.908 -3.734 -5.434 143 1HB MET 23 1HB MET 23 -3.504 -0.807 -5.898 144 2HB MET 23 2HB MET 23 -4.401 -1.851 -4.803 145 1HG MET 23 1HG MET 23 -2.358 -2.214 -3.497 146 2HG MET 23 2HG MET 23 -1.487 -1.133 -4.582 147 1HE MET 23 1HE MET 23 -3.312 -1.819 -1.723 148 2HE MET 23 2HE MET 23 -2.664 -0.442 -0.832 149 3HE MET 23 3HE MET 23 -4.366 -0.471 -1.296 150 H VAL 24 H VAL 24 -3.343 -1.950 -8.424 151 HA VAL 24 HA VAL 24 -6.052 -2.698 -8.859 152 HB VAL 24 HB VAL 24 -3.982 -1.871 -10.898 153 1HG1 VAL 24 1HG1 VAL 24 -6.132 -3.022 -11.671 154 2HG1 VAL 24 2HG1 VAL 24 -6.959 -1.561 -11.128 155 3HG1 VAL 24 3HG1 VAL 24 -5.735 -1.464 -12.395 156 1HG2 VAL 24 1HG2 VAL 24 -6.004 0.070 -10.046 157 2HG2 VAL 24 2HG2 VAL 24 -4.850 -0.376 -8.789 158 3HG2 VAL 24 3HG2 VAL 24 -4.274 0.279 -10.322 159 H LYS 25 H LYS 25 -2.945 -4.049 -9.861 160 HA LYS 25 HA LYS 25 -4.035 -6.048 -11.561 161 1HB LYS 25 1HB LYS 25 -1.620 -5.125 -11.454 162 2HB LYS 25 2HB LYS 25 -1.387 -6.294 -10.160 163 1HG LYS 25 1HG LYS 25 -2.001 -8.104 -11.678 164 2HG LYS 25 2HG LYS 25 -2.240 -6.933 -12.977 165 1HD LYS 25 1HD LYS 25 0.086 -6.334 -12.942 166 2HD LYS 25 2HD LYS 25 0.364 -7.323 -11.507 167 1HE LYS 25 1HE LYS 25 -0.522 -8.375 -14.191 168 2HE LYS 25 2HE LYS 25 1.137 -8.399 -13.596 169 1HZ LYS 25 1HZ LYS 25 0.491 -9.844 -11.821 170 2HZ LYS 25 2HZ LYS 25 -0.059 -10.516 -13.272 171 3HZ LYS 25 3HZ LYS 25 -1.144 -9.730 -12.239 172 H PHE 26 H PHE 26 -3.569 -5.797 -8.146 173 HA PHE 26 HA PHE 26 -4.649 -8.509 -7.834 174 1HB PHE 26 1HB PHE 26 -2.583 -7.454 -5.923 175 2HB PHE 26 2HB PHE 26 -3.104 -9.117 -6.176 176 HD1 PHE 26 HD1 PHE 26 -0.575 -6.785 -6.810 177 HD2 PHE 26 HD2 PHE 26 -2.637 -10.053 -8.595 178 HE1 PHE 26 HE1 PHE 26 1.318 -7.138 -8.341 179 HE2 PHE 26 HE2 PHE 26 -0.747 -10.412 -10.129 180 HZ PHE 26 HZ PHE 26 1.234 -8.955 -10.002 181 HA PRO 27 HA PRO 27 -7.200 -5.469 -5.501 182 1HB PRO 27 1HB PRO 27 -9.556 -6.697 -6.063 183 2HB PRO 27 2HB PRO 27 -8.798 -5.528 -7.151 184 1HG PRO 27 1HG PRO 27 -8.761 -8.519 -7.262 185 2HG PRO 27 2HG PRO 27 -8.979 -7.353 -8.581 186 1HD PRO 27 1HD PRO 27 -6.615 -8.583 -8.100 187 2HD PRO 27 2HD PRO 27 -6.719 -6.936 -8.754 188 H GLY 28 H GLY 28 -9.140 -6.123 -3.948 189 1HA GLY 28 1HA GLY 28 -8.003 -7.805 -1.956 190 2HA GLY 28 2HA GLY 28 -9.601 -7.075 -1.905 191 H GLY 29 H GLY 29 -8.695 -9.785 -1.145 192 1HA GLY 29 1HA GLY 29 -9.892 -11.788 -1.120 193 2HA GLY 29 2HA GLY 29 -10.817 -11.225 -2.503 194 H THR 30 H THR 30 -8.003 -10.560 -3.673 195 HA THR 30 HA THR 30 -7.826 -12.898 -5.276 196 HB THR 30 HB THR 30 -6.329 -10.339 -5.092 197 HG1 THR 30 HG1 THR 30 -8.173 -11.109 -6.581 198 1HG2 THR 30 1HG2 THR 30 -4.603 -11.139 -6.650 199 2HG2 THR 30 2HG2 THR 30 -5.220 -12.782 -6.480 200 3HG2 THR 30 3HG2 THR 30 -4.506 -11.960 -5.093 201 HA PRO 31 HA PRO 31 -5.212 -15.394 -2.740 202 1HB PRO 31 1HB PRO 31 -4.352 -17.113 -4.657 203 2HB PRO 31 2HB PRO 31 -5.982 -17.172 -3.975 204 1HG PRO 31 1HG PRO 31 -5.048 -15.959 -6.548 205 2HG PRO 31 2HG PRO 31 -6.495 -16.934 -6.230 206 1HD PRO 31 1HD PRO 31 -6.572 -14.234 -6.429 207 2HD PRO 31 2HD PRO 31 -7.665 -15.145 -5.366 208 H GLY 32 H GLY 32 -3.375 -14.475 -2.026 209 1HA GLY 32 1HA GLY 32 -1.058 -14.201 -2.012 210 2HA GLY 32 2HA GLY 32 -1.026 -14.588 -3.726 211 H ARG 33 H ARG 33 -3.197 -12.168 -2.485 212 HA ARG 33 HA ARG 33 -2.533 -10.192 -4.268 213 1HB ARG 33 1HB ARG 33 -4.522 -10.071 -2.876 214 2HB ARG 33 2HB ARG 33 -3.534 -9.872 -1.435 215 1HG ARG 33 1HG ARG 33 -2.633 -7.765 -2.615 216 2HG ARG 33 2HG ARG 33 -4.059 -7.926 -3.641 217 1HD ARG 33 1HD ARG 33 -5.364 -8.084 -1.426 218 2HD ARG 33 2HD ARG 33 -3.905 -7.423 -0.690 219 HE ARG 33 HE ARG 33 -4.736 -5.862 -2.913 220 1HH1 ARG 33 1HH1 ARG 33 -5.448 -6.531 0.429 221 2HH1 ARG 33 2HH1 ARG 33 -6.145 -4.974 0.727 222 1HH2 ARG 33 1HH2 ARG 33 -5.653 -3.808 -2.532 223 2HH2 ARG 33 2HH2 ARG 33 -6.262 -3.426 -0.958 224 H TRP 34 H TRP 34 -1.620 -9.935 -0.835 225 HA TRP 34 HA TRP 34 0.338 -7.986 -1.215 226 1HB TRP 34 1HB TRP 34 0.092 -10.058 0.976 227 2HB TRP 34 2HB TRP 34 1.167 -8.664 1.036 228 HD1 TRP 34 HD1 TRP 34 -1.923 -9.625 2.477 229 HE1 TRP 34 HE1 TRP 34 -3.459 -7.623 2.984 230 HE3 TRP 34 HE3 TRP 34 0.361 -6.093 -0.428 231 HZ2 TRP 34 HZ2 TRP 34 -3.675 -4.906 2.249 232 HZ3 TRP 34 HZ3 TRP 34 -0.573 -3.817 -0.471 233 HH2 TRP 34 HH2 TRP 34 -2.550 -3.238 0.840 234 H GLU 35 H GLU 35 0.468 -11.432 -1.618 235 HA GLU 35 HA GLU 35 3.304 -11.691 -1.524 236 1HB GLU 35 1HB GLU 35 1.016 -13.413 -2.316 237 2HB GLU 35 2HB GLU 35 2.592 -13.828 -2.976 238 1HG GLU 35 1HG GLU 35 3.507 -13.952 -0.714 239 2HG GLU 35 2HG GLU 35 1.924 -13.545 -0.055 240 H LYS 36 H LYS 36 0.974 -10.982 -4.040 241 HA LYS 36 HA LYS 36 2.914 -11.221 -6.168 242 1HB LYS 36 1HB LYS 36 0.091 -10.135 -6.167 243 2HB LYS 36 2HB LYS 36 1.077 -10.379 -7.603 244 1HG LYS 36 1HG LYS 36 0.777 -12.618 -7.600 245 2HG LYS 36 2HG LYS 36 0.721 -12.720 -5.839 246 1HD LYS 36 1HD LYS 36 -1.524 -12.300 -5.749 247 2HD LYS 36 2HD LYS 36 -1.512 -11.329 -7.223 248 1HE LYS 36 1HE LYS 36 -0.946 -14.258 -7.375 249 2HE LYS 36 2HE LYS 36 -2.611 -13.702 -7.208 250 1HZ LYS 36 1HZ LYS 36 -1.002 -12.395 -9.251 251 2HZ LYS 36 2HZ LYS 36 -2.631 -12.850 -9.282 252 3HZ LYS 36 3HZ LYS 36 -1.425 -14.006 -9.549 253 H ILE 37 H ILE 37 1.203 -8.596 -4.505 254 HA ILE 37 HA ILE 37 2.198 -6.454 -5.985 255 HB ILE 37 HB ILE 37 1.379 -6.606 -3.088 256 1HG1 ILE 37 1HG1 ILE 37 -0.008 -5.405 -5.493 257 2HG1 ILE 37 2HG1 ILE 37 -0.357 -7.000 -4.836 258 1HG2 ILE 37 1HG2 ILE 37 1.162 -4.031 -3.478 259 2HG2 ILE 37 2HG2 ILE 37 2.709 -4.732 -3.009 260 3HG2 ILE 37 3HG2 ILE 37 2.406 -4.314 -4.695 261 1HD1 ILE 37 1HD1 ILE 37 -1.868 -6.043 -3.538 262 2HD1 ILE 37 2HD1 ILE 37 -0.550 -5.253 -2.673 263 3HD1 ILE 37 3HD1 ILE 37 -1.337 -4.432 -4.020 264 H ALA 38 H ALA 38 3.557 -8.105 -3.166 265 HA ALA 38 HA ALA 38 5.735 -6.378 -2.743 266 1HB ALA 38 1HB ALA 38 6.683 -8.761 -1.865 267 2HB ALA 38 2HB ALA 38 5.604 -7.714 -0.942 268 3HB ALA 38 3HB ALA 38 4.946 -9.066 -1.864 269 H HIS 39 H HIS 39 5.530 -9.437 -4.555 270 HA HIS 39 HA HIS 39 8.186 -9.529 -5.413 271 1HB HIS 39 1HB HIS 39 6.989 -11.507 -5.735 272 2HB HIS 39 2HB HIS 39 5.627 -10.677 -6.481 273 HD1 HIS 39 HD1 HIS 39 8.505 -12.665 -7.307 274 HD2 HIS 39 HD2 HIS 39 6.374 -9.622 -9.167 275 HE1 HIS 39 HE1 HIS 39 9.121 -12.804 -9.741 276 H GLU 40 H GLU 40 5.591 -7.511 -6.405 277 HA GLU 40 HA GLU 40 6.825 -6.820 -8.945 278 1HB GLU 40 1HB GLU 40 4.309 -5.895 -7.560 279 2HB GLU 40 2HB GLU 40 4.883 -5.188 -9.063 280 1HG GLU 40 1HG GLU 40 4.355 -8.126 -8.760 281 2HG GLU 40 2HG GLU 40 3.111 -6.978 -9.250 282 H LEU 41 H LEU 41 6.097 -5.268 -5.838 283 HA LEU 41 HA LEU 41 7.390 -2.812 -6.550 284 1HB LEU 41 1HB LEU 41 6.429 -3.913 -3.917 285 2HB LEU 41 2HB LEU 41 7.134 -2.309 -4.105 286 HG LEU 41 HG LEU 41 4.525 -3.320 -5.217 287 1HD1 LEU 41 1HD1 LEU 41 3.628 -2.330 -3.451 288 2HD1 LEU 41 2HD1 LEU 41 4.417 -0.810 -3.868 289 3HD1 LEU 41 3HD1 LEU 41 5.246 -1.981 -2.842 290 1HD2 LEU 41 1HD2 LEU 41 5.979 -0.747 -5.813 291 2HD2 LEU 41 2HD2 LEU 41 4.292 -1.067 -6.217 292 3HD2 LEU 41 3HD2 LEU 41 5.575 -2.026 -6.957 293 H GLY 42 H GLY 42 8.480 -5.846 -5.509 294 1HA GLY 42 1HA GLY 42 10.675 -6.554 -5.249 295 2HA GLY 42 2HA GLY 42 11.195 -4.878 -5.345 296 H ARG 43 H ARG 43 8.698 -5.634 -3.100 297 HA ARG 43 HA ARG 43 10.655 -5.482 -0.900 298 1HB ARG 43 1HB ARG 43 7.806 -4.476 -0.843 299 2HB ARG 43 2HB ARG 43 9.025 -4.271 0.408 300 1HG ARG 43 1HG ARG 43 10.140 -2.637 -0.750 301 2HG ARG 43 2HG ARG 43 9.566 -3.206 -2.319 302 1HD ARG 43 1HD ARG 43 7.565 -2.110 -2.138 303 2HD ARG 43 2HD ARG 43 7.564 -2.178 -0.376 304 HE ARG 43 HE ARG 43 8.626 -0.093 -2.015 305 1HH1 ARG 43 1HH1 ARG 43 8.977 -1.734 1.035 306 2HH1 ARG 43 2HH1 ARG 43 9.715 -0.382 1.826 307 1HH2 ARG 43 1HH2 ARG 43 9.597 1.695 -0.984 308 2HH2 ARG 43 2HH2 ARG 43 10.067 1.569 0.677 309 H SER 44 H SER 44 9.231 -6.116 1.244 310 HA SER 44 HA SER 44 8.566 -8.914 0.773 311 1HB SER 44 1HB SER 44 8.875 -7.418 3.388 312 2HB SER 44 2HB SER 44 8.731 -9.166 3.198 313 HG SER 44 HG SER 44 10.850 -8.980 3.205 314 H VAL 45 H VAL 45 6.660 -9.891 1.606 315 HA VAL 45 HA VAL 45 4.276 -8.746 0.968 316 HB VAL 45 HB VAL 45 4.913 -10.856 3.012 317 1HG1 VAL 45 1HG1 VAL 45 2.958 -10.101 3.969 318 2HG1 VAL 45 2HG1 VAL 45 2.282 -9.570 2.427 319 3HG1 VAL 45 3HG1 VAL 45 2.347 -11.289 2.818 320 1HG2 VAL 45 1HG2 VAL 45 3.936 -10.775 0.195 321 2HG2 VAL 45 2HG2 VAL 45 5.188 -11.781 0.923 322 3HG2 VAL 45 3HG2 VAL 45 3.487 -12.135 1.224 323 H THR 46 H THR 46 5.187 -9.191 4.385 324 HA THR 46 HA THR 46 3.308 -7.519 5.500 325 HB THR 46 HB THR 46 4.603 -8.918 6.941 326 HG1 THR 46 HG1 THR 46 5.537 -7.148 8.368 327 1HG2 THR 46 1HG2 THR 46 7.101 -7.385 6.845 328 2HG2 THR 46 2HG2 THR 46 6.744 -8.279 5.367 329 3HG2 THR 46 3HG2 THR 46 6.843 -9.128 6.909 330 H ASP 47 H ASP 47 6.512 -6.683 4.255 331 HA ASP 47 HA ASP 47 6.680 -4.050 5.104 332 1HB ASP 47 1HB ASP 47 7.828 -5.608 2.851 333 2HB ASP 47 2HB ASP 47 7.912 -3.853 2.726 334 H VAL 48 H VAL 48 4.966 -5.413 2.345 335 HA VAL 48 HA VAL 48 4.229 -2.874 1.241 336 HB VAL 48 HB VAL 48 2.631 -5.308 0.628 337 1HG1 VAL 48 1HG1 VAL 48 2.115 -4.143 -1.196 338 2HG1 VAL 48 2HG1 VAL 48 2.977 -2.778 -0.484 339 3HG1 VAL 48 3HG1 VAL 48 3.815 -3.876 -1.582 340 1HG2 VAL 48 1HG2 VAL 48 4.526 -6.532 0.480 341 2HG2 VAL 48 2HG2 VAL 48 4.681 -5.698 -1.066 342 3HG2 VAL 48 3HG2 VAL 48 5.563 -5.112 0.345 343 H THR 49 H THR 49 2.160 -5.467 2.553 344 HA THR 49 HA THR 49 -0.167 -4.060 2.841 345 HB THR 49 HB THR 49 -0.535 -6.245 3.368 346 HG1 THR 49 HG1 THR 49 0.014 -5.545 6.045 347 1HG2 THR 49 1HG2 THR 49 2.176 -6.107 4.574 348 2HG2 THR 49 2HG2 THR 49 1.490 -7.294 3.464 349 3HG2 THR 49 3HG2 THR 49 1.078 -7.347 5.178 350 H THR 50 H THR 50 2.508 -4.243 5.162 351 HA THR 50 HA THR 50 1.353 -2.797 7.246 352 HB THR 50 HB THR 50 4.265 -2.873 6.430 353 HG1 THR 50 HG1 THR 50 2.932 -4.393 8.433 354 1HG2 THR 50 1HG2 THR 50 2.850 -1.562 8.637 355 2HG2 THR 50 2HG2 THR 50 4.469 -1.274 7.999 356 3HG2 THR 50 3HG2 THR 50 4.193 -2.583 9.148 357 H LYS 51 H LYS 51 2.677 -1.727 4.219 358 HA LYS 51 HA LYS 51 2.821 1.050 5.035 359 1HB LYS 51 1HB LYS 51 4.496 0.386 3.488 360 2HB LYS 51 2HB LYS 51 3.320 -0.382 2.430 361 1HG LYS 51 1HG LYS 51 4.247 1.808 1.628 362 2HG LYS 51 2HG LYS 51 2.486 1.699 1.685 363 1HD LYS 51 1HD LYS 51 2.960 3.796 2.606 364 2HD LYS 51 2HD LYS 51 2.687 2.762 4.010 365 1HE LYS 51 1HE LYS 51 5.286 2.407 3.844 366 2HE LYS 51 2HE LYS 51 5.223 3.940 2.975 367 1HZ LYS 51 1HZ LYS 51 3.717 4.496 5.103 368 2HZ LYS 51 2HZ LYS 51 5.382 4.785 5.034 369 3HZ LYS 51 3HZ LYS 51 4.797 3.389 5.789 370 H ALA 52 H ALA 52 0.869 -0.918 2.810 371 HA ALA 52 HA ALA 52 -0.819 1.138 1.918 372 1HB ALA 52 1HB ALA 52 -0.604 -1.084 0.847 373 2HB ALA 52 2HB ALA 52 -1.512 -1.784 2.188 374 3HB ALA 52 3HB ALA 52 -2.279 -0.604 1.125 375 H LYS 53 H LYS 53 -1.182 -1.163 4.598 376 HA LYS 53 HA LYS 53 -3.721 -0.588 5.452 377 1HB LYS 53 1HB LYS 53 -2.958 -1.207 7.723 378 2HB LYS 53 2HB LYS 53 -2.388 -2.324 6.490 379 1HG LYS 53 1HG LYS 53 -0.465 -2.067 7.661 380 2HG LYS 53 2HG LYS 53 -0.282 -0.718 6.537 381 1HD LYS 53 1HD LYS 53 -0.688 0.854 8.146 382 2HD LYS 53 2HD LYS 53 -1.726 -0.219 9.087 383 1HE LYS 53 1HE LYS 53 0.406 -1.537 9.592 384 2HE LYS 53 2HE LYS 53 1.275 -0.132 8.975 385 1HZ LYS 53 1HZ LYS 53 0.141 1.228 10.643 386 2HZ LYS 53 2HZ LYS 53 1.055 -0.002 11.358 387 3HZ LYS 53 3HZ LYS 53 -0.627 -0.150 11.257 388 H GLN 54 H GLN 54 -0.811 1.322 5.890 389 HA GLN 54 HA GLN 54 -1.898 3.144 7.777 390 1HB GLN 54 1HB GLN 54 0.414 3.472 5.858 391 2HB GLN 54 2HB GLN 54 0.044 4.563 7.186 392 1HG GLN 54 1HG GLN 54 0.298 2.580 8.723 393 2HG GLN 54 2HG GLN 54 0.955 1.707 7.340 394 1HE2 GLN 54 1HE2 GLN 54 2.169 2.539 9.906 395 2HE2 GLN 54 2HE2 GLN 54 3.579 3.438 9.473 396 H LEU 55 H LEU 55 -1.746 3.064 4.263 397 HA LEU 55 HA LEU 55 -2.665 5.716 3.843 398 1HB LEU 55 1HB LEU 55 -2.950 3.359 1.989 399 2HB LEU 55 2HB LEU 55 -2.987 5.066 1.551 400 HG LEU 55 HG LEU 55 -0.558 3.682 2.677 401 1HD1 LEU 55 1HD1 LEU 55 -1.360 2.767 0.464 402 2HD1 LEU 55 2HD1 LEU 55 0.276 3.425 0.485 403 3HD1 LEU 55 3HD1 LEU 55 -1.044 4.366 -0.209 404 1HD2 LEU 55 1HD2 LEU 55 0.623 5.633 1.867 405 2HD2 LEU 55 2HD2 LEU 55 -0.665 6.125 2.966 406 3HD2 LEU 55 3HD2 LEU 55 -0.876 6.306 1.224 407 H LYS 56 H LYS 56 -4.247 2.700 4.512 408 HA LYS 56 HA LYS 56 -6.854 3.561 3.659 409 1HB LYS 56 1HB LYS 56 -5.727 1.156 5.015 410 2HB LYS 56 2HB LYS 56 -7.450 1.466 5.181 411 1HG LYS 56 1HG LYS 56 -7.692 1.466 2.754 412 2HG LYS 56 2HG LYS 56 -5.960 1.170 2.580 413 1HD LYS 56 1HD LYS 56 -6.121 -1.000 3.369 414 2HD LYS 56 2HD LYS 56 -7.628 -0.683 4.231 415 1HE LYS 56 1HE LYS 56 -8.171 -2.032 2.353 416 2HE LYS 56 2HE LYS 56 -8.731 -0.399 1.994 417 1HZ LYS 56 1HZ LYS 56 -6.073 -0.728 1.097 418 2HZ LYS 56 2HZ LYS 56 -7.458 -0.355 0.200 419 3HZ LYS 56 3HZ LYS 56 -7.035 -1.971 0.470 420 H ASP 57 H ASP 57 -4.961 3.779 6.542 421 HA ASP 57 HA ASP 57 -7.211 4.338 8.268 422 1HB ASP 57 1HB ASP 57 -5.720 4.277 10.018 423 2HB ASP 57 2HB ASP 57 -4.851 3.290 8.846 424 H SER 58 H SER 58 -4.421 6.193 7.051 425 HA SER 58 HA SER 58 -5.188 8.673 8.091 426 1HB SER 58 1HB SER 58 -2.942 8.023 7.065 427 2HB SER 58 2HB SER 58 -3.688 8.319 5.495 428 HG SER 58 HG SER 58 -3.634 10.229 7.589 429 H VAL 59 H VAL 59 -7.288 9.250 7.782 430 HA VAL 59 HA VAL 59 -8.033 9.985 5.049 431 HB VAL 59 HB VAL 59 -9.746 8.322 6.894 432 1HG1 VAL 59 1HG1 VAL 59 -11.575 9.208 6.005 433 2HG1 VAL 59 2HG1 VAL 59 -10.577 10.357 5.111 434 3HG1 VAL 59 3HG1 VAL 59 -11.003 8.806 4.386 435 1HG2 VAL 59 1HG2 VAL 59 -7.954 7.438 5.123 436 2HG2 VAL 59 2HG2 VAL 59 -9.472 6.598 5.442 437 3HG2 VAL 59 3HG2 VAL 59 -9.328 7.657 4.039 438 H THR 60 H THR 60 -8.696 12.023 4.995 439 HA THR 60 HA THR 60 -9.964 13.163 7.397 440 HB THR 60 HB THR 60 -8.871 15.323 6.894 441 HG1 THR 60 HG1 THR 60 -7.088 13.977 5.172 442 1HG2 THR 60 1HG2 THR 60 -7.666 14.321 8.555 443 2HG2 THR 60 2HG2 THR 60 -6.424 14.356 7.304 444 3HG2 THR 60 3HG2 THR 60 -7.339 12.878 7.597 445 H CYS 61 H CYS 61 -12.038 13.417 6.841 446 HA CYS 61 HA CYS 61 -12.625 14.665 4.237 447 1HB CYS 61 1HB CYS 61 -13.434 12.238 4.759 448 2HB CYS 61 2HB CYS 61 -14.647 13.043 5.747 449 HG CYS 61 HG CYS 61 -15.810 14.437 3.660 450 H SER 62 H SER 62 -12.366 16.743 5.236 451 HA SER 62 HA SER 62 -14.834 17.702 6.396 452 1HB SER 62 1HB SER 62 -13.717 17.061 8.432 453 2HB SER 62 2HB SER 62 -12.223 17.846 7.919 454 HG SER 62 HG SER 62 -14.493 18.927 9.040 455 HA PRO 63 HA PRO 63 -13.726 21.144 3.875 456 1HB PRO 63 1HB PRO 63 -15.483 22.953 4.880 457 2HB PRO 63 2HB PRO 63 -15.973 21.625 3.822 458 1HG PRO 63 1HG PRO 63 -16.133 21.829 6.804 459 2HG PRO 63 2HG PRO 63 -17.333 21.202 5.660 460 1HD PRO 63 1HD PRO 63 -15.712 19.583 7.103 461 2HD PRO 63 2HD PRO 63 -16.275 19.163 5.472 462 H GLY 64 H GLY 64 -14.305 21.960 7.308 463 1HA GLY 64 1HA GLY 64 -12.547 24.209 7.252 464 2HA GLY 64 2HA GLY 64 -13.252 23.476 8.686 465 H MET 65 H MET 65 -10.474 24.443 7.961 466 HA MET 65 HA MET 65 -8.961 21.958 8.297 467 1HB MET 65 1HB MET 65 -8.206 23.499 6.544 468 2HB MET 65 2HB MET 65 -8.005 24.772 7.741 469 1HG MET 65 1HG MET 65 -6.185 23.683 8.749 470 2HG MET 65 2HG MET 65 -6.529 22.169 7.916 471 1HE MET 65 1HE MET 65 -6.712 22.781 4.746 472 2HE MET 65 2HE MET 65 -4.997 22.420 4.549 473 3HE MET 65 3HE MET 65 -5.955 21.533 5.736 474 H VAL 66 H VAL 66 -8.981 21.365 10.391 475 HA VAL 66 HA VAL 66 -8.712 23.352 12.496 476 HB VAL 66 HB VAL 66 -8.972 20.347 12.681 477 1HG1 VAL 66 1HG1 VAL 66 -9.531 20.796 15.054 478 2HG1 VAL 66 2HG1 VAL 66 -7.867 21.213 14.640 479 3HG1 VAL 66 3HG1 VAL 66 -9.080 22.482 14.808 480 1HG2 VAL 66 1HG2 VAL 66 -11.064 22.426 13.278 481 2HG2 VAL 66 2HG2 VAL 66 -10.923 21.626 11.713 482 3HG2 VAL 66 3HG2 VAL 66 -11.270 20.679 13.159 483 H SER 67 H SER 67 -6.788 24.012 13.164 484 HA SER 67 HA SER 67 -4.353 22.841 12.379 485 1HB SER 67 1HB SER 67 -4.780 25.253 13.125 486 2HB SER 67 2HB SER 67 -4.678 24.645 14.777 487 HG SER 67 HG SER 67 -2.624 25.068 14.430 488 H GLY 68 H GLY 68 -2.624 22.359 14.176 489 1HA GLY 68 1HA GLY 68 -3.500 21.055 16.547 490 2HA GLY 68 2HA GLY 68 -3.188 19.881 15.277 491 HA PRO 69 HA PRO 69 0.751 21.331 17.568 492 1HB PRO 69 1HB PRO 69 1.042 19.257 19.295 493 2HB PRO 69 2HB PRO 69 0.166 20.735 19.708 494 1HG PRO 69 1HG PRO 69 -0.904 18.085 18.817 495 2HG PRO 69 2HG PRO 69 -1.495 19.156 20.101 496 1HD PRO 69 1HD PRO 69 -2.648 19.043 17.654 497 2HD PRO 69 2HD PRO 69 -2.599 20.533 18.619 498 H SER 70 H SER 70 2.155 20.899 15.960 499 HA SER 70 HA SER 70 2.511 18.117 15.096 500 1HB SER 70 1HB SER 70 3.712 19.089 13.158 501 2HB SER 70 2HB SER 70 2.067 19.709 13.298 502 HG SER 70 HG SER 70 4.191 21.140 13.088 503 H SER 71 H SER 71 4.430 20.980 15.986 504 HA SER 71 HA SER 71 6.781 19.304 16.387 505 1HB SER 71 1HB SER 71 7.908 21.512 16.855 506 2HB SER 71 2HB SER 71 7.205 21.373 15.244 507 HG SER 71 HG SER 71 5.592 22.425 17.255 508 H GLY 72 H GLY 72 7.372 18.534 18.304 509 1HA GLY 72 1HA GLY 72 5.820 19.149 20.650 510 2HA GLY 72 2HA GLY 72 7.157 18.013 20.550 Start of MODEL 3 1 1H GLY 1 1H GLY 1 28.879 -17.146 -2.941 2 1HA GLY 1 1HA GLY 1 26.452 -18.331 -2.792 3 2HA GLY 1 2HA GLY 1 27.120 -18.635 -1.195 4 H SER 2 H SER 2 25.226 -16.583 -2.938 5 HA SER 2 HA SER 2 26.002 -14.094 -1.724 6 1HB SER 2 1HB SER 2 23.454 -14.794 -3.202 7 2HB SER 2 2HB SER 2 24.029 -13.170 -2.827 8 HG SER 2 HG SER 2 24.548 -13.808 -4.969 9 H SER 3 H SER 3 25.230 -13.166 0.083 10 HA SER 3 HA SER 3 23.588 -14.783 1.836 11 1HB SER 3 1HB SER 3 25.190 -12.267 2.154 12 2HB SER 3 2HB SER 3 23.985 -12.695 3.368 13 HG SER 3 HG SER 3 25.203 -14.878 3.138 14 H GLY 4 H GLY 4 23.417 -11.539 0.382 15 1HA GLY 4 1HA GLY 4 21.184 -11.002 -0.599 16 2HA GLY 4 2HA GLY 4 20.510 -11.576 0.919 17 H SER 5 H SER 5 19.605 -9.245 0.435 18 HA SER 5 HA SER 5 21.369 -7.119 1.291 19 1HB SER 5 1HB SER 5 19.324 -5.695 1.042 20 2HB SER 5 2HB SER 5 19.744 -6.590 -0.418 21 HG SER 5 HG SER 5 17.983 -7.791 1.382 22 H SER 6 H SER 6 20.416 -5.549 2.982 23 HA SER 6 HA SER 6 19.866 -7.134 5.377 24 1HB SER 6 1HB SER 6 21.774 -5.528 5.378 25 2HB SER 6 2HB SER 6 20.622 -4.210 5.163 26 HG SER 6 HG SER 6 20.463 -4.237 7.250 27 H GLY 7 H GLY 7 17.690 -7.526 5.361 28 1HA GLY 7 1HA GLY 7 15.474 -7.086 5.782 29 2HA GLY 7 2HA GLY 7 15.972 -5.477 6.284 30 H ALA 8 H ALA 8 15.358 -3.810 5.066 31 HA ALA 8 HA ALA 8 15.092 -3.970 2.225 32 1HB ALA 8 1HB ALA 8 13.035 -5.088 2.716 33 2HB ALA 8 2HB ALA 8 12.582 -3.850 3.888 34 3HB ALA 8 3HB ALA 8 12.654 -3.455 2.170 35 HA PRO 9 HA PRO 9 15.814 0.341 2.728 36 1HB PRO 9 1HB PRO 9 15.025 1.212 0.281 37 2HB PRO 9 2HB PRO 9 16.532 0.326 0.546 38 1HG PRO 9 1HG PRO 9 13.893 -0.678 -0.452 39 2HG PRO 9 2HG PRO 9 15.525 -1.048 -1.038 40 1HD PRO 9 1HD PRO 9 14.143 -2.723 0.579 41 2HD PRO 9 2HD PRO 9 15.912 -2.587 0.634 42 H GLU 10 H GLU 10 14.697 2.477 2.484 43 HA GLU 10 HA GLU 10 12.115 2.355 3.679 44 1HB GLU 10 1HB GLU 10 12.191 4.801 3.616 45 2HB GLU 10 2HB GLU 10 13.699 4.136 4.226 46 1HG GLU 10 1HG GLU 10 14.568 4.372 1.841 47 2HG GLU 10 2HG GLU 10 13.152 5.384 1.558 48 H TRP 11 H TRP 11 10.489 4.151 2.695 49 HA TRP 11 HA TRP 11 9.796 3.091 0.057 50 1HB TRP 11 1HB TRP 11 8.227 4.481 2.215 51 2HB TRP 11 2HB TRP 11 7.595 4.346 0.576 52 HD1 TRP 11 HD1 TRP 11 8.410 2.229 3.656 53 HE1 TRP 11 HE1 TRP 11 7.266 -0.062 3.406 54 HE3 TRP 11 HE3 TRP 11 6.740 2.676 -1.155 55 HZ2 TRP 11 HZ2 TRP 11 5.844 -1.492 1.431 56 HZ3 TRP 11 HZ3 TRP 11 5.497 0.801 -2.151 57 HH2 TRP 11 HH2 TRP 11 5.059 -1.239 -0.883 58 H THR 12 H THR 12 9.757 4.300 -1.750 59 HA THR 12 HA THR 12 10.283 7.188 -1.474 60 HB THR 12 HB THR 12 11.623 7.112 -3.513 61 HG1 THR 12 HG1 THR 12 11.542 5.414 -4.767 62 1HG2 THR 12 1HG2 THR 12 13.410 5.391 -2.577 63 2HG2 THR 12 2HG2 THR 12 12.350 5.431 -1.168 64 3HG2 THR 12 3HG2 THR 12 13.084 6.920 -1.762 65 H GLU 13 H GLU 13 9.376 8.563 -3.052 66 HA GLU 13 HA GLU 13 6.810 8.357 -3.723 67 1HB GLU 13 1HB GLU 13 9.092 9.669 -5.103 68 2HB GLU 13 2HB GLU 13 7.571 9.578 -5.979 69 1HG GLU 13 1HG GLU 13 6.468 10.935 -4.480 70 2HG GLU 13 2HG GLU 13 7.606 10.598 -3.177 71 H GLU 14 H GLU 14 9.435 6.829 -5.509 72 HA GLU 14 HA GLU 14 7.907 5.908 -7.690 73 1HB GLU 14 1HB GLU 14 10.369 5.993 -7.698 74 2HB GLU 14 2HB GLU 14 10.413 4.714 -6.493 75 1HG GLU 14 1HG GLU 14 10.799 3.554 -8.435 76 2HG GLU 14 2HG GLU 14 9.058 3.364 -8.239 77 H ASP 15 H ASP 15 8.860 4.320 -4.656 78 HA ASP 15 HA ASP 15 7.405 1.925 -5.232 79 1HB ASP 15 1HB ASP 15 8.981 2.987 -2.949 80 2HB ASP 15 2HB ASP 15 7.783 1.749 -2.580 81 H LEU 16 H LEU 16 6.689 4.950 -3.677 82 HA LEU 16 HA LEU 16 4.291 4.005 -2.390 83 1HB LEU 16 1HB LEU 16 5.635 6.650 -2.719 84 2HB LEU 16 2HB LEU 16 3.950 6.594 -2.207 85 HG LEU 16 HG LEU 16 6.164 5.165 -0.747 86 1HD1 LEU 16 1HD1 LEU 16 6.886 7.226 -0.226 87 2HD1 LEU 16 2HD1 LEU 16 5.493 7.240 0.855 88 3HD1 LEU 16 3HD1 LEU 16 5.383 7.997 -0.734 89 1HD2 LEU 16 1HD2 LEU 16 4.396 5.458 1.110 90 2HD2 LEU 16 2HD2 LEU 16 4.147 4.207 -0.109 91 3HD2 LEU 16 3HD2 LEU 16 3.271 5.735 -0.220 92 H SER 17 H SER 17 5.153 5.496 -5.418 93 HA SER 17 HA SER 17 2.420 6.138 -6.112 94 1HB SER 17 1HB SER 17 5.071 6.395 -7.501 95 2HB SER 17 2HB SER 17 3.571 6.572 -8.411 96 HG SER 17 HG SER 17 3.053 8.110 -6.563 97 H GLN 18 H GLN 18 4.728 3.583 -6.705 98 HA GLN 18 HA GLN 18 3.275 2.348 -8.830 99 1HB GLN 18 1HB GLN 18 5.545 1.492 -7.060 100 2HB GLN 18 2HB GLN 18 4.773 0.343 -8.145 101 1HG GLN 18 1HG GLN 18 5.749 2.953 -9.207 102 2HG GLN 18 2HG GLN 18 6.890 1.644 -8.902 103 1HE2 GLN 18 1HE2 GLN 18 5.615 -0.564 -9.654 104 2HE2 GLN 18 2HE2 GLN 18 5.187 -0.507 -11.326 105 H LEU 19 H LEU 19 3.431 1.907 -5.334 106 HA LEU 19 HA LEU 19 2.134 -0.451 -4.943 107 1HB LEU 19 1HB LEU 19 2.964 0.998 -3.147 108 2HB LEU 19 2HB LEU 19 1.626 2.109 -3.432 109 HG LEU 19 HG LEU 19 0.040 0.419 -2.689 110 1HD1 LEU 19 1HD1 LEU 19 0.759 -1.701 -1.789 111 2HD1 LEU 19 2HD1 LEU 19 2.445 -1.310 -2.127 112 3HD1 LEU 19 3HD1 LEU 19 1.311 -1.550 -3.457 113 1HD2 LEU 19 1HD2 LEU 19 0.820 0.241 -0.309 114 2HD2 LEU 19 2HD2 LEU 19 0.840 1.870 -0.984 115 3HD2 LEU 19 3HD2 LEU 19 2.344 0.962 -0.828 116 H THR 20 H THR 20 0.558 2.695 -5.474 117 HA THR 20 HA THR 20 -2.087 1.847 -5.342 118 HB THR 20 HB THR 20 -0.996 4.021 -7.139 119 HG1 THR 20 HG1 THR 20 -1.725 3.991 -4.392 120 1HG2 THR 20 1HG2 THR 20 -3.148 4.874 -7.291 121 2HG2 THR 20 2HG2 THR 20 -3.701 4.009 -5.857 122 3HG2 THR 20 3HG2 THR 20 -3.435 3.136 -7.365 123 H ARG 21 H ARG 21 0.216 1.683 -7.988 124 HA ARG 21 HA ARG 21 -1.666 0.972 -9.998 125 1HB ARG 21 1HB ARG 21 1.309 0.439 -9.903 126 2HB ARG 21 2HB ARG 21 0.289 0.362 -11.334 127 1HG ARG 21 1HG ARG 21 0.342 2.902 -9.802 128 2HG ARG 21 2HG ARG 21 1.756 2.482 -10.771 129 1HD ARG 21 1HD ARG 21 0.351 3.783 -12.164 130 2HD ARG 21 2HD ARG 21 0.178 2.112 -12.701 131 HE ARG 21 HE ARG 21 -2.032 2.243 -12.171 132 1HH1 ARG 21 1HH1 ARG 21 -0.321 4.683 -10.371 133 2HH1 ARG 21 2HH1 ARG 21 -1.757 5.374 -9.691 134 1HH2 ARG 21 1HH2 ARG 21 -3.930 3.143 -11.282 135 2HH2 ARG 21 2HH2 ARG 21 -3.809 4.496 -10.209 136 H SER 22 H SER 22 0.504 -0.895 -7.909 137 HA SER 22 HA SER 22 -0.160 -3.424 -9.007 138 1HB SER 22 1HB SER 22 0.821 -4.277 -6.803 139 2HB SER 22 2HB SER 22 1.886 -3.298 -7.813 140 HG SER 22 HG SER 22 2.071 -2.040 -6.153 141 H MET 23 H MET 23 -1.343 -1.615 -6.200 142 HA MET 23 HA MET 23 -2.964 -3.476 -5.004 143 1HB MET 23 1HB MET 23 -3.322 -0.511 -5.380 144 2HB MET 23 2HB MET 23 -4.464 -1.469 -4.448 145 1HG MET 23 1HG MET 23 -2.478 -2.239 -3.077 146 2HG MET 23 2HG MET 23 -1.565 -0.962 -3.877 147 1HE MET 23 1HE MET 23 -3.291 -0.513 -0.025 148 2HE MET 23 2HE MET 23 -4.344 -1.590 -0.943 149 3HE MET 23 3HE MET 23 -2.603 -1.875 -0.910 150 H VAL 24 H VAL 24 -3.508 -1.728 -7.985 151 HA VAL 24 HA VAL 24 -6.266 -2.421 -8.246 152 HB VAL 24 HB VAL 24 -4.272 -1.500 -10.320 153 1HG1 VAL 24 1HG1 VAL 24 -7.267 -1.474 -10.582 154 2HG1 VAL 24 2HG1 VAL 24 -6.054 -1.181 -11.830 155 3HG1 VAL 24 3HG1 VAL 24 -6.274 -2.804 -11.177 156 1HG2 VAL 24 1HG2 VAL 24 -4.666 0.587 -9.643 157 2HG2 VAL 24 2HG2 VAL 24 -6.409 0.323 -9.604 158 3HG2 VAL 24 3HG2 VAL 24 -5.420 -0.114 -8.210 159 H LYS 25 H LYS 25 -3.241 -3.743 -9.526 160 HA LYS 25 HA LYS 25 -4.432 -5.715 -11.167 161 1HB LYS 25 1HB LYS 25 -1.987 -4.809 -11.112 162 2HB LYS 25 2HB LYS 25 -1.730 -6.066 -9.910 163 1HG LYS 25 1HG LYS 25 -2.353 -7.772 -11.482 164 2HG LYS 25 2HG LYS 25 -2.801 -6.556 -12.681 165 1HD LYS 25 1HD LYS 25 -0.514 -5.830 -12.874 166 2HD LYS 25 2HD LYS 25 -0.024 -6.888 -11.548 167 1HE LYS 25 1HE LYS 25 0.607 -8.051 -13.474 168 2HE LYS 25 2HE LYS 25 -0.914 -8.802 -12.995 169 1HZ LYS 25 1HZ LYS 25 -0.789 -6.620 -14.992 170 2HZ LYS 25 2HZ LYS 25 -2.065 -7.688 -14.691 171 3HZ LYS 25 3HZ LYS 25 -0.649 -8.249 -15.426 172 H PHE 26 H PHE 26 -3.798 -5.537 -7.774 173 HA PHE 26 HA PHE 26 -4.896 -8.242 -7.462 174 1HB PHE 26 1HB PHE 26 -2.724 -7.247 -5.638 175 2HB PHE 26 2HB PHE 26 -3.282 -8.898 -5.889 176 HD1 PHE 26 HD1 PHE 26 -0.777 -6.560 -6.648 177 HD2 PHE 26 HD2 PHE 26 -2.927 -9.836 -8.309 178 HE1 PHE 26 HE1 PHE 26 1.031 -6.916 -8.278 179 HE2 PHE 26 HE2 PHE 26 -1.122 -10.198 -9.941 180 HZ PHE 26 HZ PHE 26 0.861 -8.738 -9.926 181 HA PRO 27 HA PRO 27 -7.297 -5.223 -4.950 182 1HB PRO 27 1HB PRO 27 -9.688 -6.422 -5.413 183 2HB PRO 27 2HB PRO 27 -8.976 -5.241 -6.518 184 1HG PRO 27 1HG PRO 27 -8.972 -8.230 -6.680 185 2HG PRO 27 2HG PRO 27 -9.246 -7.040 -7.966 186 1HD PRO 27 1HD PRO 27 -6.872 -8.298 -7.626 187 2HD PRO 27 2HD PRO 27 -6.993 -6.640 -8.248 188 H GLY 28 H GLY 28 -9.222 -5.938 -3.356 189 1HA GLY 28 1HA GLY 28 -7.982 -7.641 -1.431 190 2HA GLY 28 2HA GLY 28 -9.573 -6.907 -1.296 191 H GLY 29 H GLY 29 -8.698 -9.615 -0.588 192 1HA GLY 29 1HA GLY 29 -9.894 -11.614 -0.555 193 2HA GLY 29 2HA GLY 29 -10.861 -11.029 -1.901 194 H THR 30 H THR 30 -8.120 -10.365 -3.192 195 HA THR 30 HA THR 30 -7.999 -12.702 -4.799 196 HB THR 30 HB THR 30 -6.523 -10.129 -4.687 197 HG1 THR 30 HG1 THR 30 -6.966 -10.431 -7.031 198 1HG2 THR 30 1HG2 THR 30 -4.624 -11.565 -4.775 199 2HG2 THR 30 2HG2 THR 30 -4.917 -11.008 -6.423 200 3HG2 THR 30 3HG2 THR 30 -5.405 -12.632 -5.940 201 HA PRO 31 HA PRO 31 -5.262 -15.182 -2.379 202 1HB PRO 31 1HB PRO 31 -4.490 -16.905 -4.329 203 2HB PRO 31 2HB PRO 31 -6.085 -16.967 -3.569 204 1HG PRO 31 1HG PRO 31 -5.280 -15.760 -6.188 205 2HG PRO 31 2HG PRO 31 -6.707 -16.738 -5.798 206 1HD PRO 31 1HD PRO 31 -6.801 -14.039 -6.002 207 2HD PRO 31 2HD PRO 31 -7.838 -14.950 -4.885 208 H GLY 32 H GLY 32 -3.358 -14.366 -1.746 209 1HA GLY 32 1HA GLY 32 -1.052 -14.072 -1.856 210 2HA GLY 32 2HA GLY 32 -1.116 -14.426 -3.576 211 H ARG 33 H ARG 33 -3.278 -12.048 -2.317 212 HA ARG 33 HA ARG 33 -2.682 -10.040 -4.049 213 1HB ARG 33 1HB ARG 33 -4.592 -9.914 -2.566 214 2HB ARG 33 2HB ARG 33 -3.540 -9.778 -1.164 215 1HG ARG 33 1HG ARG 33 -2.676 -7.633 -2.172 216 2HG ARG 33 2HG ARG 33 -3.999 -7.754 -3.334 217 1HD ARG 33 1HD ARG 33 -5.513 -7.983 -1.268 218 2HD ARG 33 2HD ARG 33 -4.130 -7.370 -0.362 219 HE ARG 33 HE ARG 33 -4.762 -5.720 -2.601 220 1HH1 ARG 33 1HH1 ARG 33 -5.673 -6.474 0.674 221 2HH1 ARG 33 2HH1 ARG 33 -6.355 -4.911 0.982 222 1HH2 ARG 33 1HH2 ARG 33 -5.657 -3.659 -2.207 223 2HH2 ARG 33 2HH2 ARG 33 -6.347 -3.311 -0.658 224 H TRP 34 H TRP 34 -1.603 -9.774 -0.668 225 HA TRP 34 HA TRP 34 0.334 -7.837 -1.128 226 1HB TRP 34 1HB TRP 34 0.230 -9.947 1.037 227 2HB TRP 34 2HB TRP 34 1.293 -8.543 1.060 228 HD1 TRP 34 HD1 TRP 34 -1.718 -9.569 2.637 229 HE1 TRP 34 HE1 TRP 34 -3.234 -7.589 3.276 230 HE3 TRP 34 HE3 TRP 34 0.407 -5.946 -0.278 231 HZ2 TRP 34 HZ2 TRP 34 -3.494 -4.853 2.630 232 HZ3 TRP 34 HZ3 TRP 34 -0.535 -3.674 -0.209 233 HH2 TRP 34 HH2 TRP 34 -2.446 -3.141 1.214 234 H GLU 35 H GLU 35 0.512 -11.321 -1.416 235 HA GLU 35 HA GLU 35 3.329 -11.540 -1.554 236 1HB GLU 35 1HB GLU 35 1.014 -13.279 -2.215 237 2HB GLU 35 2HB GLU 35 2.550 -13.678 -2.971 238 1HG GLU 35 1HG GLU 35 3.606 -13.839 -0.791 239 2HG GLU 35 2HG GLU 35 2.092 -13.384 -0.011 240 H LYS 36 H LYS 36 0.869 -10.757 -3.901 241 HA LYS 36 HA LYS 36 2.667 -11.013 -6.155 242 1HB LYS 36 1HB LYS 36 -0.137 -9.894 -5.975 243 2HB LYS 36 2HB LYS 36 0.755 -10.152 -7.469 244 1HG LYS 36 1HG LYS 36 0.413 -12.384 -7.450 245 2HG LYS 36 2HG LYS 36 0.480 -12.491 -5.689 246 1HD LYS 36 1HD LYS 36 -1.747 -12.040 -5.441 247 2HD LYS 36 2HD LYS 36 -1.823 -11.062 -6.909 248 1HE LYS 36 1HE LYS 36 -1.293 -13.985 -7.147 249 2HE LYS 36 2HE LYS 36 -2.935 -13.444 -6.800 250 1HZ LYS 36 1HZ LYS 36 -3.203 -12.719 -8.875 251 2HZ LYS 36 2HZ LYS 36 -1.836 -13.635 -9.265 252 3HZ LYS 36 3HZ LYS 36 -1.680 -11.984 -8.932 253 H ILE 37 H ILE 37 1.078 -8.388 -4.373 254 HA ILE 37 HA ILE 37 2.041 -6.252 -5.900 255 HB ILE 37 HB ILE 37 1.320 -6.369 -2.973 256 1HG1 ILE 37 1HG1 ILE 37 -0.203 -5.202 -5.308 257 2HG1 ILE 37 2HG1 ILE 37 -0.462 -6.831 -4.693 258 1HG2 ILE 37 1HG2 ILE 37 2.352 -4.396 -2.798 259 2HG2 ILE 37 2HG2 ILE 37 2.524 -4.233 -4.545 260 3HG2 ILE 37 3HG2 ILE 37 1.019 -3.756 -3.759 261 1HD1 ILE 37 1HD1 ILE 37 -0.623 -5.133 -2.474 262 2HD1 ILE 37 2HD1 ILE 37 -1.534 -4.350 -3.766 263 3HD1 ILE 37 3HD1 ILE 37 -1.935 -5.996 -3.277 264 H ALA 38 H ALA 38 3.479 -7.997 -3.196 265 HA ALA 38 HA ALA 38 5.668 -6.271 -2.767 266 1HB ALA 38 1HB ALA 38 6.130 -9.127 -2.254 267 2HB ALA 38 2HB ALA 38 6.278 -7.738 -1.177 268 3HB ALA 38 3HB ALA 38 4.694 -8.449 -1.488 269 H HIS 39 H HIS 39 5.390 -9.270 -4.665 270 HA HIS 39 HA HIS 39 8.025 -9.352 -5.595 271 1HB HIS 39 1HB HIS 39 6.842 -11.320 -5.957 272 2HB HIS 39 2HB HIS 39 5.430 -10.476 -6.587 273 HD1 HIS 39 HD1 HIS 39 8.798 -11.760 -7.606 274 HD2 HIS 39 HD2 HIS 39 5.477 -9.949 -9.325 275 HE1 HIS 39 HE1 HIS 39 9.134 -11.959 -10.090 276 H GLU 40 H GLU 40 5.271 -7.493 -6.656 277 HA GLU 40 HA GLU 40 6.462 -6.688 -9.147 278 1HB GLU 40 1HB GLU 40 4.027 -5.755 -7.633 279 2HB GLU 40 2HB GLU 40 4.540 -5.026 -9.148 280 1HG GLU 40 1HG GLU 40 3.969 -7.959 -8.859 281 2HG GLU 40 2HG GLU 40 2.741 -6.777 -9.307 282 H LEU 41 H LEU 41 5.773 -5.065 -6.054 283 HA LEU 41 HA LEU 41 7.089 -2.650 -6.770 284 1HB LEU 41 1HB LEU 41 6.323 -3.780 -4.084 285 2HB LEU 41 2HB LEU 41 6.955 -2.154 -4.332 286 HG LEU 41 HG LEU 41 4.315 -3.262 -5.271 287 1HD1 LEU 41 1HD1 LEU 41 3.560 -2.408 -3.373 288 2HD1 LEU 41 2HD1 LEU 41 4.088 -0.811 -3.903 289 3HD1 LEU 41 3HD1 LEU 41 5.172 -1.829 -2.954 290 1HD2 LEU 41 1HD2 LEU 41 5.771 -0.752 -6.031 291 2HD2 LEU 41 2HD2 LEU 41 4.010 -0.845 -6.071 292 3HD2 LEU 41 3HD2 LEU 41 4.975 -1.931 -7.073 293 H GLY 42 H GLY 42 8.166 -5.688 -5.537 294 1HA GLY 42 1HA GLY 42 10.403 -6.403 -5.525 295 2HA GLY 42 2HA GLY 42 10.917 -4.724 -5.609 296 H ARG 43 H ARG 43 8.521 -5.524 -3.272 297 HA ARG 43 HA ARG 43 10.574 -5.444 -1.158 298 1HB ARG 43 1HB ARG 43 7.799 -4.247 -1.160 299 2HB ARG 43 2HB ARG 43 8.830 -4.346 0.261 300 1HG ARG 43 1HG ARG 43 10.483 -2.926 -0.813 301 2HG ARG 43 2HG ARG 43 9.493 -2.860 -2.273 302 1HD ARG 43 1HD ARG 43 7.673 -1.842 -0.912 303 2HD ARG 43 2HD ARG 43 8.785 -1.789 0.455 304 HE ARG 43 HE ARG 43 8.677 0.036 -1.715 305 1HH1 ARG 43 1HH1 ARG 43 10.894 -1.562 0.442 306 2HH1 ARG 43 2HH1 ARG 43 12.093 -0.315 0.344 307 1HH2 ARG 43 1HH2 ARG 43 10.247 1.685 -1.852 308 2HH2 ARG 43 2HH2 ARG 43 11.723 1.532 -0.960 309 H SER 44 H SER 44 9.308 -6.122 1.033 310 HA SER 44 HA SER 44 8.482 -8.871 0.519 311 1HB SER 44 1HB SER 44 9.012 -7.537 3.183 312 2HB SER 44 2HB SER 44 8.895 -9.267 2.865 313 HG SER 44 HG SER 44 10.784 -7.797 1.428 314 H VAL 45 H VAL 45 6.559 -9.769 1.246 315 HA VAL 45 HA VAL 45 4.215 -8.492 0.932 316 HB VAL 45 HB VAL 45 4.722 -10.623 3.013 317 1HG1 VAL 45 1HG1 VAL 45 2.505 -9.198 2.968 318 2HG1 VAL 45 2HG1 VAL 45 2.108 -10.284 1.635 319 3HG1 VAL 45 3HG1 VAL 45 2.468 -10.941 3.232 320 1HG2 VAL 45 1HG2 VAL 45 3.561 -11.894 0.941 321 2HG2 VAL 45 2HG2 VAL 45 4.468 -10.654 0.075 322 3HG2 VAL 45 3HG2 VAL 45 5.307 -11.767 1.155 323 H THR 46 H THR 46 5.219 -9.232 4.263 324 HA THR 46 HA THR 46 3.561 -7.573 5.624 325 HB THR 46 HB THR 46 4.985 -9.028 6.867 326 HG1 THR 46 HG1 THR 46 5.026 -7.626 8.444 327 1HG2 THR 46 1HG2 THR 46 7.442 -7.423 6.389 328 2HG2 THR 46 2HG2 THR 46 6.929 -8.540 5.124 329 3HG2 THR 46 3HG2 THR 46 7.265 -9.140 6.748 330 H ASP 47 H ASP 47 6.683 -6.666 4.205 331 HA ASP 47 HA ASP 47 6.876 -4.065 5.128 332 1HB ASP 47 1HB ASP 47 8.504 -5.481 3.664 333 2HB ASP 47 2HB ASP 47 7.653 -4.743 2.309 334 H VAL 48 H VAL 48 5.138 -5.294 2.298 335 HA VAL 48 HA VAL 48 4.269 -2.722 1.416 336 HB VAL 48 HB VAL 48 2.708 -5.144 0.684 337 1HG1 VAL 48 1HG1 VAL 48 3.723 -3.693 -1.527 338 2HG1 VAL 48 2HG1 VAL 48 2.065 -3.760 -0.928 339 3HG1 VAL 48 3HG1 VAL 48 3.172 -2.525 -0.326 340 1HG2 VAL 48 1HG2 VAL 48 5.632 -4.817 0.228 341 2HG2 VAL 48 2HG2 VAL 48 4.695 -6.279 0.534 342 3HG2 VAL 48 3HG2 VAL 48 4.647 -5.517 -1.056 343 H THR 49 H THR 49 2.323 -5.458 2.625 344 HA THR 49 HA THR 49 -0.043 -4.174 3.063 345 HB THR 49 HB THR 49 -0.279 -6.399 3.506 346 HG1 THR 49 HG1 THR 49 0.284 -5.803 6.198 347 1HG2 THR 49 1HG2 THR 49 1.388 -7.547 5.172 348 2HG2 THR 49 2HG2 THR 49 2.419 -6.174 4.769 349 3HG2 THR 49 3HG2 THR 49 1.861 -7.262 3.498 350 H THR 50 H THR 50 2.729 -4.302 5.268 351 HA THR 50 HA THR 50 1.551 -2.963 7.431 352 HB THR 50 HB THR 50 4.458 -3.001 6.597 353 HG1 THR 50 HG1 THR 50 2.867 -4.678 8.248 354 1HG2 THR 50 1HG2 THR 50 4.622 -1.402 8.183 355 2HG2 THR 50 2HG2 THR 50 4.456 -2.757 9.300 356 3HG2 THR 50 3HG2 THR 50 3.047 -1.785 8.876 357 H LYS 51 H LYS 51 2.893 -1.791 4.442 358 HA LYS 51 HA LYS 51 3.006 0.960 5.335 359 1HB LYS 51 1HB LYS 51 4.673 0.260 3.750 360 2HB LYS 51 2HB LYS 51 3.443 -0.334 2.642 361 1HG LYS 51 1HG LYS 51 4.484 1.841 2.000 362 2HG LYS 51 2HG LYS 51 2.723 1.869 2.125 363 1HD LYS 51 1HD LYS 51 3.528 3.849 3.169 364 2HD LYS 51 2HD LYS 51 3.006 2.762 4.459 365 1HE LYS 51 1HE LYS 51 5.852 2.694 3.574 366 2HE LYS 51 2HE LYS 51 5.310 4.028 4.591 367 1HZ LYS 51 1HZ LYS 51 5.986 2.492 6.135 368 2HZ LYS 51 2HZ LYS 51 5.475 1.162 5.224 369 3HZ LYS 51 3HZ LYS 51 4.339 2.122 6.030 370 H ALA 52 H ALA 52 1.083 -0.926 3.010 371 HA ALA 52 HA ALA 52 -0.628 1.139 2.207 372 1HB ALA 52 1HB ALA 52 -0.631 -0.787 0.877 373 2HB ALA 52 2HB ALA 52 -0.933 -1.846 2.254 374 3HB ALA 52 3HB ALA 52 -2.212 -0.789 1.658 375 H LYS 53 H LYS 53 -0.990 -1.268 4.795 376 HA LYS 53 HA LYS 53 -3.530 -0.719 5.667 377 1HB LYS 53 1HB LYS 53 -2.756 -1.423 7.923 378 2HB LYS 53 2HB LYS 53 -2.239 -2.509 6.639 379 1HG LYS 53 1HG LYS 53 -0.305 -2.340 7.830 380 2HG LYS 53 2HG LYS 53 -0.079 -1.014 6.687 381 1HD LYS 53 1HD LYS 53 0.419 0.074 8.634 382 2HD LYS 53 2HD LYS 53 -1.324 0.351 8.584 383 1HE LYS 53 1HE LYS 53 -0.950 -0.372 10.765 384 2HE LYS 53 2HE LYS 53 -1.496 -1.830 9.937 385 1HZ LYS 53 1HZ LYS 53 1.028 -1.274 11.176 386 2HZ LYS 53 2HZ LYS 53 1.200 -1.871 9.603 387 3HZ LYS 53 3HZ LYS 53 0.337 -2.760 10.754 388 H GLN 54 H GLN 54 -0.670 1.229 6.022 389 HA GLN 54 HA GLN 54 -1.769 2.963 8.029 390 1HB GLN 54 1HB GLN 54 0.630 3.295 6.220 391 2HB GLN 54 2HB GLN 54 0.220 4.369 7.551 392 1HG GLN 54 1HG GLN 54 0.275 2.143 8.940 393 2HG GLN 54 2HG GLN 54 1.292 1.598 7.608 394 1HE2 GLN 54 1HE2 GLN 54 3.152 2.979 7.077 395 2HE2 GLN 54 2HE2 GLN 54 3.975 3.778 8.369 396 H LEU 55 H LEU 55 -1.654 2.882 4.542 397 HA LEU 55 HA LEU 55 -2.565 5.605 4.242 398 1HB LEU 55 1HB LEU 55 -2.493 3.448 2.146 399 2HB LEU 55 2HB LEU 55 -2.535 5.192 1.894 400 HG LEU 55 HG LEU 55 -0.212 3.829 3.231 401 1HD1 LEU 55 1HD1 LEU 55 -0.461 2.776 1.071 402 2HD1 LEU 55 2HD1 LEU 55 0.911 3.883 1.040 403 3HD1 LEU 55 3HD1 LEU 55 -0.615 4.350 0.289 404 1HD2 LEU 55 1HD2 LEU 55 0.963 5.854 2.398 405 2HD2 LEU 55 2HD2 LEU 55 -0.309 6.204 3.568 406 3HD2 LEU 55 3HD2 LEU 55 -0.590 6.482 1.849 407 H LYS 56 H LYS 56 -3.934 2.361 3.784 408 HA LYS 56 HA LYS 56 -6.437 3.001 2.842 409 1HB LYS 56 1HB LYS 56 -7.174 0.882 3.627 410 2HB LYS 56 2HB LYS 56 -5.476 0.694 3.213 411 1HG LYS 56 1HG LYS 56 -4.848 0.800 5.535 412 2HG LYS 56 2HG LYS 56 -6.514 1.146 6.003 413 1HD LYS 56 1HD LYS 56 -7.136 -1.068 4.955 414 2HD LYS 56 2HD LYS 56 -5.407 -1.401 4.837 415 1HE LYS 56 1HE LYS 56 -6.029 -2.415 6.840 416 2HE LYS 56 2HE LYS 56 -5.343 -0.873 7.351 417 1HZ LYS 56 1HZ LYS 56 -8.247 -1.362 6.981 418 2HZ LYS 56 2HZ LYS 56 -7.525 0.021 7.635 419 3HZ LYS 56 3HZ LYS 56 -7.452 -1.448 8.472 420 H ASP 57 H ASP 57 -5.195 3.272 6.105 421 HA ASP 57 HA ASP 57 -7.785 3.884 7.235 422 1HB ASP 57 1HB ASP 57 -5.663 2.772 8.362 423 2HB ASP 57 2HB ASP 57 -5.237 4.449 8.689 424 H SER 58 H SER 58 -4.804 5.645 6.470 425 HA SER 58 HA SER 58 -5.969 8.173 7.258 426 1HB SER 58 1HB SER 58 -3.596 7.813 7.672 427 2HB SER 58 2HB SER 58 -3.315 7.514 5.957 428 HG SER 58 HG SER 58 -4.357 9.945 6.979 429 H VAL 59 H VAL 59 -7.744 8.310 5.827 430 HA VAL 59 HA VAL 59 -6.979 9.061 3.083 431 HB VAL 59 HB VAL 59 -9.094 8.141 2.250 432 1HG1 VAL 59 1HG1 VAL 59 -8.517 5.766 2.424 433 2HG1 VAL 59 2HG1 VAL 59 -7.086 6.763 2.154 434 3HG1 VAL 59 3HG1 VAL 59 -7.431 6.131 3.765 435 1HG2 VAL 59 1HG2 VAL 59 -9.458 7.371 5.126 436 2HG2 VAL 59 2HG2 VAL 59 -10.575 8.217 4.055 437 3HG2 VAL 59 3HG2 VAL 59 -10.272 6.495 3.829 438 H THR 60 H THR 60 -8.824 10.328 2.010 439 HA THR 60 HA THR 60 -10.018 12.169 3.979 440 HB THR 60 HB THR 60 -8.244 13.377 2.931 441 HG1 THR 60 HG1 THR 60 -10.441 14.230 1.386 442 1HG2 THR 60 1HG2 THR 60 -7.656 12.206 1.010 443 2HG2 THR 60 2HG2 THR 60 -8.394 13.668 0.355 444 3HG2 THR 60 3HG2 THR 60 -9.312 12.163 0.408 445 H CYS 61 H CYS 61 -10.450 10.205 1.198 446 HA CYS 61 HA CYS 61 -12.246 9.700 -0.103 447 1HB CYS 61 1HB CYS 61 -13.149 9.289 2.245 448 2HB CYS 61 2HB CYS 61 -13.943 10.853 2.108 449 HG CYS 61 HG CYS 61 -14.484 8.403 -0.202 450 H SER 62 H SER 62 -11.092 11.997 -0.892 451 HA SER 62 HA SER 62 -13.181 14.015 -1.192 452 1HB SER 62 1HB SER 62 -11.480 15.493 -1.944 453 2HB SER 62 2HB SER 62 -10.760 14.585 -0.615 454 HG SER 62 HG SER 62 -9.893 13.169 -2.292 455 HA PRO 63 HA PRO 63 -14.359 12.716 -5.225 456 1HB PRO 63 1HB PRO 63 -15.265 15.078 -6.211 457 2HB PRO 63 2HB PRO 63 -16.149 14.140 -5.001 458 1HG PRO 63 1HG PRO 63 -14.375 16.522 -4.627 459 2HG PRO 63 2HG PRO 63 -15.939 16.162 -3.873 460 1HD PRO 63 1HD PRO 63 -13.582 15.766 -2.599 461 2HD PRO 63 2HD PRO 63 -15.004 14.741 -2.317 462 H GLY 64 H GLY 64 -11.863 14.976 -4.656 463 1HA GLY 64 1HA GLY 64 -10.232 14.262 -6.729 464 2HA GLY 64 2HA GLY 64 -11.232 15.542 -7.400 465 H MET 65 H MET 65 -9.698 17.106 -7.624 466 HA MET 65 HA MET 65 -7.719 17.706 -5.705 467 1HB MET 65 1HB MET 65 -7.645 19.940 -6.989 468 2HB MET 65 2HB MET 65 -7.249 18.467 -7.864 469 1HG MET 65 1HG MET 65 -9.347 18.437 -8.951 470 2HG MET 65 2HG MET 65 -9.992 19.685 -7.887 471 1HE MET 65 1HE MET 65 -10.503 21.958 -9.946 472 2HE MET 65 2HE MET 65 -10.188 21.730 -8.226 473 3HE MET 65 3HE MET 65 -9.208 22.861 -9.160 474 H VAL 66 H VAL 66 -7.981 18.565 -3.761 475 HA VAL 66 HA VAL 66 -10.421 19.690 -2.868 476 HB VAL 66 HB VAL 66 -8.860 18.565 -1.342 477 1HG1 VAL 66 1HG1 VAL 66 -6.878 19.945 -0.542 478 2HG1 VAL 66 2HG1 VAL 66 -6.728 19.179 -2.125 479 3HG1 VAL 66 3HG1 VAL 66 -7.091 20.901 -2.008 480 1HG2 VAL 66 1HG2 VAL 66 -10.315 19.848 -0.117 481 2HG2 VAL 66 2HG2 VAL 66 -8.776 20.548 0.383 482 3HG2 VAL 66 3HG2 VAL 66 -9.760 21.360 -0.835 483 H SER 67 H SER 67 -11.031 21.786 -2.503 484 HA SER 67 HA SER 67 -10.239 23.784 -4.214 485 1HB SER 67 1HB SER 67 -11.474 25.325 -2.826 486 2HB SER 67 2HB SER 67 -12.319 23.777 -2.815 487 HG SER 67 HG SER 67 -11.258 25.155 -0.753 488 H GLY 68 H GLY 68 -9.149 23.257 -0.871 489 1HA GLY 68 1HA GLY 68 -6.543 23.789 -1.017 490 2HA GLY 68 2HA GLY 68 -7.207 25.413 -1.116 491 HA PRO 69 HA PRO 69 -7.071 23.564 3.345 492 1HB PRO 69 1HB PRO 69 -4.514 24.081 4.098 493 2HB PRO 69 2HB PRO 69 -5.014 22.541 3.388 494 1HG PRO 69 1HG PRO 69 -3.677 24.882 2.086 495 2HG PRO 69 2HG PRO 69 -3.339 23.152 1.894 496 1HD PRO 69 1HD PRO 69 -4.787 24.563 0.092 497 2HD PRO 69 2HD PRO 69 -5.089 22.846 0.425 498 H SER 70 H SER 70 -5.118 26.294 2.146 499 HA SER 70 HA SER 70 -5.502 27.924 4.423 500 1HB SER 70 1HB SER 70 -3.659 28.316 2.865 501 2HB SER 70 2HB SER 70 -4.804 28.698 1.579 502 HG SER 70 HG SER 70 -3.783 30.482 2.916 503 H SER 71 H SER 71 -6.916 29.602 4.823 504 HA SER 71 HA SER 71 -9.550 29.325 3.934 505 1HB SER 71 1HB SER 71 -9.990 31.438 5.093 506 2HB SER 71 2HB SER 71 -8.930 30.414 6.062 507 HG SER 71 HG SER 71 -8.253 32.694 4.531 508 H GLY 72 H GLY 72 -10.776 31.373 3.054 509 1HA GLY 72 1HA GLY 72 -9.953 31.691 0.358 510 2HA GLY 72 2HA GLY 72 -11.281 32.537 1.138 Start of MODEL 4 1 1H GLY 1 1H GLY 1 31.702 -15.782 12.090 2 1HA GLY 1 1HA GLY 1 30.940 -16.653 9.445 3 2HA GLY 1 2HA GLY 1 29.872 -16.003 10.680 4 H SER 2 H SER 2 30.247 -15.430 7.742 5 HA SER 2 HA SER 2 31.151 -12.676 7.715 6 1HB SER 2 1HB SER 2 31.477 -14.403 5.827 7 2HB SER 2 2HB SER 2 29.788 -14.087 5.429 8 HG SER 2 HG SER 2 30.429 -11.816 5.331 9 H SER 3 H SER 3 29.899 -10.947 7.961 10 HA SER 3 HA SER 3 27.025 -11.330 8.257 11 1HB SER 3 1HB SER 3 28.155 -10.083 10.016 12 2HB SER 3 2HB SER 3 28.793 -8.940 8.834 13 HG SER 3 HG SER 3 26.766 -8.406 10.078 14 H GLY 4 H GLY 4 25.487 -10.430 6.967 15 1HA GLY 4 1HA GLY 4 26.468 -8.960 4.597 16 2HA GLY 4 2HA GLY 4 25.164 -10.136 4.526 17 H SER 5 H SER 5 25.567 -7.055 4.129 18 HA SER 5 HA SER 5 23.831 -5.796 5.973 19 1HB SER 5 1HB SER 5 24.840 -5.045 3.235 20 2HB SER 5 2HB SER 5 23.693 -4.025 4.104 21 HG SER 5 HG SER 5 26.331 -4.173 4.409 22 H SER 6 H SER 6 21.873 -6.765 6.210 23 HA SER 6 HA SER 6 20.177 -6.938 3.804 24 1HB SER 6 1HB SER 6 20.317 -8.688 6.249 25 2HB SER 6 2HB SER 6 18.860 -8.629 5.257 26 HG SER 6 HG SER 6 20.774 -10.198 4.814 27 H GLY 7 H GLY 7 18.224 -5.944 3.819 28 1HA GLY 7 1HA GLY 7 16.515 -5.323 5.810 29 2HA GLY 7 2HA GLY 7 17.728 -4.060 5.962 30 H ALA 8 H ALA 8 14.837 -4.883 4.549 31 HA ALA 8 HA ALA 8 14.888 -3.810 2.002 32 1HB ALA 8 1HB ALA 8 12.699 -3.837 4.066 33 2HB ALA 8 2HB ALA 8 12.456 -3.273 2.412 34 3HB ALA 8 3HB ALA 8 12.936 -4.943 2.713 35 HA PRO 9 HA PRO 9 15.695 0.488 2.546 36 1HB PRO 9 1HB PRO 9 14.678 1.398 0.199 37 2HB PRO 9 2HB PRO 9 16.206 0.517 0.306 38 1HG PRO 9 1HG PRO 9 13.492 -0.486 -0.460 39 2HG PRO 9 2HG PRO 9 15.064 -0.835 -1.203 40 1HD PRO 9 1HD PRO 9 13.846 -2.548 0.506 41 2HD PRO 9 2HD PRO 9 15.612 -2.401 0.397 42 H GLU 10 H GLU 10 14.433 2.650 2.076 43 HA GLU 10 HA GLU 10 11.997 2.482 3.619 44 1HB GLU 10 1HB GLU 10 12.056 4.933 3.583 45 2HB GLU 10 2HB GLU 10 13.602 4.263 4.084 46 1HG GLU 10 1HG GLU 10 14.584 4.733 1.973 47 2HG GLU 10 2HG GLU 10 13.021 5.151 1.273 48 H TRP 11 H TRP 11 10.298 4.290 2.784 49 HA TRP 11 HA TRP 11 9.457 3.301 0.154 50 1HB TRP 11 1HB TRP 11 7.981 4.468 2.497 51 2HB TRP 11 2HB TRP 11 7.245 4.445 0.897 52 HD1 TRP 11 HD1 TRP 11 8.141 2.185 3.810 53 HE1 TRP 11 HE1 TRP 11 7.130 -0.147 3.408 54 HE3 TRP 11 HE3 TRP 11 6.594 2.793 -1.025 55 HZ2 TRP 11 HZ2 TRP 11 5.848 -1.545 1.318 56 HZ3 TRP 11 HZ3 TRP 11 5.484 0.909 -2.154 57 HH2 TRP 11 HH2 TRP 11 5.120 -1.214 -1.005 58 H THR 12 H THR 12 9.744 4.556 -1.555 59 HA THR 12 HA THR 12 9.855 7.475 -1.158 60 HB THR 12 HB THR 12 11.362 7.650 -3.029 61 HG1 THR 12 HG1 THR 12 12.092 5.669 -4.055 62 1HG2 THR 12 1HG2 THR 12 12.995 7.280 -1.558 63 2HG2 THR 12 2HG2 THR 12 12.964 5.574 -2.003 64 3HG2 THR 12 3HG2 THR 12 11.979 6.153 -0.660 65 H GLU 13 H GLU 13 9.005 8.806 -2.851 66 HA GLU 13 HA GLU 13 6.498 8.457 -3.653 67 1HB GLU 13 1HB GLU 13 8.783 9.847 -4.946 68 2HB GLU 13 2HB GLU 13 7.322 9.654 -5.904 69 1HG GLU 13 1HG GLU 13 6.073 11.005 -4.527 70 2HG GLU 13 2HG GLU 13 7.122 10.738 -3.136 71 H GLU 14 H GLU 14 9.284 7.176 -5.436 72 HA GLU 14 HA GLU 14 7.908 6.078 -7.600 73 1HB GLU 14 1HB GLU 14 10.322 6.264 -7.605 74 2HB GLU 14 2HB GLU 14 10.448 5.151 -6.251 75 1HG GLU 14 1HG GLU 14 9.100 4.206 -8.721 76 2HG GLU 14 2HG GLU 14 10.854 4.374 -8.734 77 H ASP 15 H ASP 15 8.850 4.549 -4.528 78 HA ASP 15 HA ASP 15 7.568 2.076 -5.112 79 1HB ASP 15 1HB ASP 15 8.897 3.301 -2.755 80 2HB ASP 15 2HB ASP 15 7.764 1.990 -2.436 81 H LEU 16 H LEU 16 6.555 5.064 -3.624 82 HA LEU 16 HA LEU 16 4.137 3.988 -2.507 83 1HB LEU 16 1HB LEU 16 5.318 6.710 -2.816 84 2HB LEU 16 2HB LEU 16 3.607 6.553 -2.425 85 HG LEU 16 HG LEU 16 5.799 5.315 -0.770 86 1HD1 LEU 16 1HD1 LEU 16 4.769 8.080 -0.851 87 2HD1 LEU 16 2HD1 LEU 16 6.331 7.462 -0.316 88 3HD1 LEU 16 3HD1 LEU 16 4.927 7.347 0.745 89 1HD2 LEU 16 1HD2 LEU 16 2.842 5.605 -0.542 90 2HD2 LEU 16 2HD2 LEU 16 3.819 5.610 0.927 91 3HD2 LEU 16 3HD2 LEU 16 3.873 4.225 -0.165 92 H SER 17 H SER 17 5.111 5.391 -5.530 93 HA SER 17 HA SER 17 2.397 5.865 -6.421 94 1HB SER 17 1HB SER 17 4.652 7.109 -7.083 95 2HB SER 17 2HB SER 17 4.697 5.858 -8.325 96 HG SER 17 HG SER 17 3.579 7.808 -8.949 97 H GLN 18 H GLN 18 4.902 3.447 -6.809 98 HA GLN 18 HA GLN 18 3.727 2.050 -8.973 99 1HB GLN 18 1HB GLN 18 5.795 1.392 -6.910 100 2HB GLN 18 2HB GLN 18 5.157 0.112 -7.934 101 1HG GLN 18 1HG GLN 18 6.122 2.603 -9.230 102 2HG GLN 18 2HG GLN 18 7.312 1.470 -8.591 103 1HE2 GLN 18 1HE2 GLN 18 4.465 1.655 -10.678 104 2HE2 GLN 18 2HE2 GLN 18 4.967 0.416 -11.772 105 H LEU 19 H LEU 19 3.468 1.721 -5.464 106 HA LEU 19 HA LEU 19 2.098 -0.655 -5.253 107 1HB LEU 19 1HB LEU 19 2.856 0.596 -3.325 108 2HB LEU 19 2HB LEU 19 1.700 1.880 -3.672 109 HG LEU 19 HG LEU 19 -0.135 0.242 -3.234 110 1HD1 LEU 19 1HD1 LEU 19 0.965 -1.836 -3.619 111 2HD1 LEU 19 2HD1 LEU 19 0.512 -1.781 -1.915 112 3HD1 LEU 19 3HD1 LEU 19 2.183 -1.485 -2.392 113 1HD2 LEU 19 1HD2 LEU 19 0.161 0.263 -0.779 114 2HD2 LEU 19 2HD2 LEU 19 0.503 1.823 -1.529 115 3HD2 LEU 19 3HD2 LEU 19 1.831 0.782 -1.012 116 H THR 20 H THR 20 0.723 2.580 -5.789 117 HA THR 20 HA THR 20 -1.966 1.916 -5.811 118 HB THR 20 HB THR 20 -0.647 3.975 -7.591 119 HG1 THR 20 HG1 THR 20 -0.454 3.915 -5.063 120 1HG2 THR 20 1HG2 THR 20 -2.756 5.057 -7.679 121 2HG2 THR 20 2HG2 THR 20 -3.427 4.006 -6.431 122 3HG2 THR 20 3HG2 THR 20 -3.065 3.357 -8.031 123 H ARG 21 H ARG 21 0.481 1.282 -8.182 124 HA ARG 21 HA ARG 21 -1.390 0.705 -10.305 125 1HB ARG 21 1HB ARG 21 1.571 0.116 -10.136 126 2HB ARG 21 2HB ARG 21 0.579 0.044 -11.586 127 1HG ARG 21 1HG ARG 21 0.665 2.603 -10.086 128 2HG ARG 21 2HG ARG 21 2.083 2.136 -11.027 129 1HD ARG 21 1HD ARG 21 0.665 3.490 -12.407 130 2HD ARG 21 2HD ARG 21 0.601 1.831 -12.998 131 HE ARG 21 HE ARG 21 -1.631 1.809 -12.531 132 1HH1 ARG 21 1HH1 ARG 21 -0.137 4.372 -10.709 133 2HH1 ARG 21 2HH1 ARG 21 -1.637 4.992 -10.103 134 1HH2 ARG 21 1HH2 ARG 21 -3.612 2.616 -11.740 135 2HH2 ARG 21 2HH2 ARG 21 -3.613 3.992 -10.689 136 H SER 22 H SER 22 0.735 -1.151 -8.153 137 HA SER 22 HA SER 22 0.079 -3.693 -9.190 138 1HB SER 22 1HB SER 22 0.880 -4.436 -6.824 139 2HB SER 22 2HB SER 22 2.035 -3.669 -7.914 140 HG SER 22 HG SER 22 2.236 -2.643 -5.973 141 H MET 23 H MET 23 -1.188 -1.862 -6.424 142 HA MET 23 HA MET 23 -2.901 -3.676 -5.309 143 1HB MET 23 1HB MET 23 -3.300 -0.717 -5.750 144 2HB MET 23 2HB MET 23 -4.365 -1.694 -4.749 145 1HG MET 23 1HG MET 23 -2.430 -2.290 -3.337 146 2HG MET 23 2HG MET 23 -1.429 -1.211 -4.306 147 1HE MET 23 1HE MET 23 -2.636 -1.043 -0.775 148 2HE MET 23 2HE MET 23 -4.209 -0.256 -0.912 149 3HE MET 23 3HE MET 23 -3.925 -1.804 -1.709 150 H VAL 24 H VAL 24 -3.341 -1.858 -8.283 151 HA VAL 24 HA VAL 24 -6.072 -2.529 -8.677 152 HB VAL 24 HB VAL 24 -3.988 -1.728 -10.713 153 1HG1 VAL 24 1HG1 VAL 24 -6.129 -2.905 -11.508 154 2HG1 VAL 24 2HG1 VAL 24 -6.956 -1.424 -11.020 155 3HG1 VAL 24 3HG1 VAL 24 -5.699 -1.367 -12.257 156 1HG2 VAL 24 1HG2 VAL 24 -4.765 -0.210 -8.662 157 2HG2 VAL 24 2HG2 VAL 24 -4.422 0.456 -10.259 158 3HG2 VAL 24 3HG2 VAL 24 -6.088 0.140 -9.775 159 H LYS 25 H LYS 25 -3.028 -3.964 -9.762 160 HA LYS 25 HA LYS 25 -4.210 -5.930 -11.433 161 1HB LYS 25 1HB LYS 25 -1.749 -5.065 -11.317 162 2HB LYS 25 2HB LYS 25 -1.553 -6.315 -10.096 163 1HG LYS 25 1HG LYS 25 -2.180 -8.022 -11.674 164 2HG LYS 25 2HG LYS 25 -2.543 -6.802 -12.897 165 1HD LYS 25 1HD LYS 25 -0.112 -6.070 -12.645 166 2HD LYS 25 2HD LYS 25 0.132 -7.581 -11.767 167 1HE LYS 25 1HE LYS 25 0.721 -8.071 -13.984 168 2HE LYS 25 2HE LYS 25 -0.902 -8.731 -13.792 169 1HZ LYS 25 1HZ LYS 25 -0.157 -7.139 -15.804 170 2HZ LYS 25 2HZ LYS 25 -0.791 -5.996 -14.732 171 3HZ LYS 25 3HZ LYS 25 -1.752 -7.284 -15.259 172 H PHE 26 H PHE 26 -3.637 -5.710 -8.025 173 HA PHE 26 HA PHE 26 -4.818 -8.378 -7.694 174 1HB PHE 26 1HB PHE 26 -2.655 -7.425 -5.838 175 2HB PHE 26 2HB PHE 26 -3.245 -9.064 -6.097 176 HD1 PHE 26 HD1 PHE 26 -0.667 -6.793 -6.799 177 HD2 PHE 26 HD2 PHE 26 -2.865 -10.008 -8.515 178 HE1 PHE 26 HE1 PHE 26 1.167 -7.193 -8.389 179 HE2 PHE 26 HE2 PHE 26 -1.034 -10.415 -10.107 180 HZ PHE 26 HZ PHE 26 0.986 -9.007 -10.045 181 HA PRO 27 HA PRO 27 -7.176 -5.262 -5.265 182 1HB PRO 27 1HB PRO 27 -9.589 -6.414 -5.737 183 2HB PRO 27 2HB PRO 27 -8.835 -5.271 -6.855 184 1HG PRO 27 1HG PRO 27 -8.899 -8.262 -6.960 185 2HG PRO 27 2HG PRO 27 -9.129 -7.091 -8.272 186 1HD PRO 27 1HD PRO 27 -6.789 -8.397 -7.877 187 2HD PRO 27 2HD PRO 27 -6.864 -6.748 -8.531 188 H GLY 28 H GLY 28 -9.221 -5.979 -3.748 189 1HA GLY 28 1HA GLY 28 -8.020 -7.645 -1.748 190 2HA GLY 28 2HA GLY 28 -9.597 -6.877 -1.655 191 H GLY 29 H GLY 29 -8.809 -9.584 -0.875 192 1HA GLY 29 1HA GLY 29 -10.045 -11.557 -0.837 193 2HA GLY 29 2HA GLY 29 -10.968 -10.976 -2.214 194 H THR 30 H THR 30 -8.163 -10.399 -3.432 195 HA THR 30 HA THR 30 -8.062 -12.781 -4.989 196 HB THR 30 HB THR 30 -6.564 -10.219 -4.931 197 HG1 THR 30 HG1 THR 30 -8.075 -10.233 -6.471 198 1HG2 THR 30 1HG2 THR 30 -5.471 -12.706 -6.254 199 2HG2 THR 30 2HG2 THR 30 -4.732 -11.831 -4.913 200 3HG2 THR 30 3HG2 THR 30 -4.868 -11.067 -6.496 201 HA PRO 31 HA PRO 31 -5.376 -15.216 -2.471 202 1HB PRO 31 1HB PRO 31 -4.566 -16.980 -4.369 203 2HB PRO 31 2HB PRO 31 -6.177 -17.023 -3.642 204 1HG PRO 31 1HG PRO 31 -5.312 -15.871 -6.267 205 2HG PRO 31 2HG PRO 31 -6.750 -16.838 -5.889 206 1HD PRO 31 1HD PRO 31 -6.833 -14.144 -6.149 207 2HD PRO 31 2HD PRO 31 -7.897 -15.029 -5.036 208 H GLY 32 H GLY 32 -3.481 -14.402 -1.812 209 1HA GLY 32 1HA GLY 32 -1.175 -14.106 -1.876 210 2HA GLY 32 2HA GLY 32 -1.199 -14.504 -3.588 211 H ARG 33 H ARG 33 -3.347 -12.075 -2.361 212 HA ARG 33 HA ARG 33 -2.718 -10.115 -4.157 213 1HB ARG 33 1HB ARG 33 -4.662 -9.945 -2.728 214 2HB ARG 33 2HB ARG 33 -3.646 -9.790 -1.300 215 1HG ARG 33 1HG ARG 33 -2.718 -7.687 -2.497 216 2HG ARG 33 2HG ARG 33 -4.198 -7.797 -3.452 217 1HD ARG 33 1HD ARG 33 -5.377 -7.975 -1.155 218 2HD ARG 33 2HD ARG 33 -3.873 -7.317 -0.515 219 HE ARG 33 HE ARG 33 -4.853 -5.761 -2.686 220 1HH1 ARG 33 1HH1 ARG 33 -5.305 -6.407 0.706 221 2HH1 ARG 33 2HH1 ARG 33 -5.968 -4.843 1.048 222 1HH2 ARG 33 1HH2 ARG 33 -5.725 -3.699 -2.247 223 2HH2 ARG 33 2HH2 ARG 33 -6.207 -3.304 -0.632 224 H TRP 34 H TRP 34 -1.707 -9.802 -0.757 225 HA TRP 34 HA TRP 34 0.252 -7.878 -1.224 226 1HB TRP 34 1HB TRP 34 0.084 -9.917 1.006 227 2HB TRP 34 2HB TRP 34 1.132 -8.502 1.013 228 HD1 TRP 34 HD1 TRP 34 -1.956 -9.526 2.479 229 HE1 TRP 34 HE1 TRP 34 -3.494 -7.537 3.029 230 HE3 TRP 34 HE3 TRP 34 0.319 -5.934 -0.359 231 HZ2 TRP 34 HZ2 TRP 34 -3.713 -4.806 2.350 232 HZ3 TRP 34 HZ3 TRP 34 -0.618 -3.659 -0.354 233 HH2 TRP 34 HH2 TRP 34 -2.592 -3.108 0.973 234 H GLU 35 H GLU 35 0.366 -11.344 -1.522 235 HA GLU 35 HA GLU 35 3.192 -11.623 -1.515 236 1HB GLU 35 1HB GLU 35 0.872 -13.327 -2.247 237 2HB GLU 35 2HB GLU 35 2.429 -13.763 -2.936 238 1HG GLU 35 1HG GLU 35 3.396 -13.955 -0.735 239 2HG GLU 35 2HG GLU 35 1.894 -13.402 0.003 240 H LYS 36 H LYS 36 0.821 -10.901 -3.988 241 HA LYS 36 HA LYS 36 2.719 -11.175 -6.151 242 1HB LYS 36 1HB LYS 36 -0.093 -10.063 -6.114 243 2HB LYS 36 2HB LYS 36 0.864 -10.345 -7.562 244 1HG LYS 36 1HG LYS 36 0.526 -12.576 -7.519 245 2HG LYS 36 2HG LYS 36 0.518 -12.652 -5.755 246 1HD LYS 36 1HD LYS 36 -1.718 -12.195 -5.609 247 2HD LYS 36 2HD LYS 36 -1.735 -11.256 -7.103 248 1HE LYS 36 1HE LYS 36 -1.254 -14.214 -7.147 249 2HE LYS 36 2HE LYS 36 -2.892 -13.566 -7.063 250 1HZ LYS 36 1HZ LYS 36 -0.899 -13.223 -9.220 251 2HZ LYS 36 2HZ LYS 36 -2.241 -12.204 -9.080 252 3HZ LYS 36 3HZ LYS 36 -2.461 -13.863 -9.326 253 H ILE 37 H ILE 37 1.099 -8.539 -4.428 254 HA ILE 37 HA ILE 37 2.104 -6.419 -5.968 255 HB ILE 37 HB ILE 37 1.293 -6.472 -3.061 256 1HG1 ILE 37 1HG1 ILE 37 -0.213 -5.402 -5.451 257 2HG1 ILE 37 2HG1 ILE 37 -0.428 -7.036 -4.831 258 1HG2 ILE 37 1HG2 ILE 37 0.942 -3.901 -3.898 259 2HG2 ILE 37 2HG2 ILE 37 2.318 -4.483 -2.961 260 3HG2 ILE 37 3HG2 ILE 37 2.439 -4.348 -4.715 261 1HD1 ILE 37 1HD1 ILE 37 -2.172 -5.685 -3.959 262 2HD1 ILE 37 2HD1 ILE 37 -1.056 -6.026 -2.637 263 3HD1 ILE 37 3HD1 ILE 37 -1.032 -4.450 -3.427 264 H ALA 38 H ALA 38 3.435 -8.136 -3.194 265 HA ALA 38 HA ALA 38 5.608 -6.394 -2.710 266 1HB ALA 38 1HB ALA 38 5.625 -9.343 -2.134 267 2HB ALA 38 2HB ALA 38 6.438 -8.046 -1.257 268 3HB ALA 38 3HB ALA 38 4.683 -8.199 -1.177 269 H HIS 39 H HIS 39 5.356 -9.408 -4.582 270 HA HIS 39 HA HIS 39 8.038 -9.544 -5.386 271 1HB HIS 39 1HB HIS 39 6.009 -11.233 -5.635 272 2HB HIS 39 2HB HIS 39 5.891 -10.496 -7.230 273 HD1 HIS 39 HD1 HIS 39 6.730 -13.490 -6.680 274 HD2 HIS 39 HD2 HIS 39 9.321 -10.338 -7.465 275 HE1 HIS 39 HE1 HIS 39 8.824 -14.550 -7.583 276 H GLU 40 H GLU 40 5.460 -7.515 -6.423 277 HA GLU 40 HA GLU 40 6.695 -6.835 -8.953 278 1HB GLU 40 1HB GLU 40 4.232 -5.882 -7.509 279 2HB GLU 40 2HB GLU 40 4.821 -5.076 -8.956 280 1HG GLU 40 1HG GLU 40 4.219 -8.014 -8.876 281 2HG GLU 40 2HG GLU 40 3.004 -6.800 -9.273 282 H LEU 41 H LEU 41 5.960 -5.137 -5.909 283 HA LEU 41 HA LEU 41 7.407 -2.792 -6.627 284 1HB LEU 41 1HB LEU 41 6.485 -3.796 -3.938 285 2HB LEU 41 2HB LEU 41 7.146 -2.190 -4.240 286 HG LEU 41 HG LEU 41 4.542 -3.311 -5.266 287 1HD1 LEU 41 1HD1 LEU 41 5.222 -1.985 -2.889 288 2HD1 LEU 41 2HD1 LEU 41 3.609 -2.328 -3.513 289 3HD1 LEU 41 3HD1 LEU 41 4.397 -0.799 -3.900 290 1HD2 LEU 41 1HD2 LEU 41 5.435 -1.998 -7.034 291 2HD2 LEU 41 2HD2 LEU 41 5.967 -0.740 -5.919 292 3HD2 LEU 41 3HD2 LEU 41 4.245 -0.999 -6.200 293 H GLY 42 H GLY 42 8.380 -5.859 -5.600 294 1HA GLY 42 1HA GLY 42 10.539 -6.659 -5.330 295 2HA GLY 42 2HA GLY 42 11.130 -5.007 -5.440 296 H ARG 43 H ARG 43 8.614 -5.674 -3.177 297 HA ARG 43 HA ARG 43 10.583 -5.536 -0.988 298 1HB ARG 43 1HB ARG 43 7.743 -4.498 -0.982 299 2HB ARG 43 2HB ARG 43 8.902 -4.361 0.333 300 1HG ARG 43 1HG ARG 43 10.088 -2.703 -0.695 301 2HG ARG 43 2HG ARG 43 9.636 -3.234 -2.316 302 1HD ARG 43 1HD ARG 43 7.649 -2.108 -2.281 303 2HD ARG 43 2HD ARG 43 7.485 -2.235 -0.530 304 HE ARG 43 HE ARG 43 8.605 -0.071 -1.959 305 1HH1 ARG 43 1HH1 ARG 43 9.055 -1.958 0.933 306 2HH1 ARG 43 2HH1 ARG 43 9.822 -0.674 1.807 307 1HH2 ARG 43 1HH2 ARG 43 9.614 1.626 -0.818 308 2HH2 ARG 43 2HH2 ARG 43 10.139 1.365 0.811 309 H SER 44 H SER 44 9.144 -6.151 1.164 310 HA SER 44 HA SER 44 8.408 -8.940 0.671 311 1HB SER 44 1HB SER 44 9.400 -7.423 3.053 312 2HB SER 44 2HB SER 44 8.478 -8.905 3.307 313 HG SER 44 HG SER 44 11.037 -8.564 2.386 314 H VAL 45 H VAL 45 6.463 -9.820 1.298 315 HA VAL 45 HA VAL 45 4.123 -8.609 0.957 316 HB VAL 45 HB VAL 45 4.682 -10.644 3.117 317 1HG1 VAL 45 1HG1 VAL 45 2.008 -10.077 1.868 318 2HG1 VAL 45 2HG1 VAL 45 2.371 -11.070 3.281 319 3HG1 VAL 45 3HG1 VAL 45 2.532 -9.316 3.369 320 1HG2 VAL 45 1HG2 VAL 45 3.518 -12.087 1.276 321 2HG2 VAL 45 2HG2 VAL 45 4.049 -10.792 0.203 322 3HG2 VAL 45 3HG2 VAL 45 5.233 -11.700 1.144 323 H THR 46 H THR 46 5.051 -9.156 4.344 324 HA THR 46 HA THR 46 3.358 -7.395 5.546 325 HB THR 46 HB THR 46 4.709 -8.845 6.898 326 HG1 THR 46 HG1 THR 46 5.725 -7.086 8.295 327 1HG2 THR 46 1HG2 THR 46 6.756 -8.358 5.254 328 2HG2 THR 46 2HG2 THR 46 6.985 -8.970 6.893 329 3HG2 THR 46 3HG2 THR 46 7.187 -7.251 6.556 330 H ASP 47 H ASP 47 6.522 -6.650 4.146 331 HA ASP 47 HA ASP 47 6.803 -4.023 4.972 332 1HB ASP 47 1HB ASP 47 8.375 -5.568 3.559 333 2HB ASP 47 2HB ASP 47 7.575 -4.810 2.184 334 H VAL 48 H VAL 48 5.024 -5.308 2.196 335 HA VAL 48 HA VAL 48 4.249 -2.734 1.215 336 HB VAL 48 HB VAL 48 2.637 -5.133 0.524 337 1HG1 VAL 48 1HG1 VAL 48 3.714 -3.786 -1.715 338 2HG1 VAL 48 2HG1 VAL 48 2.052 -3.764 -1.122 339 3HG1 VAL 48 3HG1 VAL 48 3.207 -2.557 -0.557 340 1HG2 VAL 48 1HG2 VAL 48 5.567 -4.979 0.262 341 2HG2 VAL 48 2HG2 VAL 48 4.502 -6.385 0.302 342 3HG2 VAL 48 3HG2 VAL 48 4.694 -5.466 -1.191 343 H THR 49 H THR 49 2.200 -5.385 2.436 344 HA THR 49 HA THR 49 -0.125 -4.007 2.820 345 HB THR 49 HB THR 49 -0.446 -6.225 3.262 346 HG1 THR 49 HG1 THR 49 0.060 -5.600 5.964 347 1HG2 THR 49 1HG2 THR 49 2.237 -6.075 4.548 348 2HG2 THR 49 2HG2 THR 49 1.626 -7.205 3.340 349 3HG2 THR 49 3HG2 THR 49 1.150 -7.377 5.029 350 H THR 50 H THR 50 2.566 -4.282 5.120 351 HA THR 50 HA THR 50 1.427 -2.894 7.251 352 HB THR 50 HB THR 50 4.329 -3.034 6.414 353 HG1 THR 50 HG1 THR 50 3.192 -5.029 6.993 354 1HG2 THR 50 1HG2 THR 50 4.328 -2.678 9.118 355 2HG2 THR 50 2HG2 THR 50 2.994 -1.635 8.623 356 3HG2 THR 50 3HG2 THR 50 4.601 -1.398 7.937 357 H LYS 51 H LYS 51 2.775 -1.737 4.263 358 HA LYS 51 HA LYS 51 2.940 1.010 5.170 359 1HB LYS 51 1HB LYS 51 4.612 0.388 3.607 360 2HB LYS 51 2HB LYS 51 3.435 -0.345 2.524 361 1HG LYS 51 1HG LYS 51 4.339 1.831 1.739 362 2HG LYS 51 2HG LYS 51 2.581 1.790 1.889 363 1HD LYS 51 1HD LYS 51 3.165 3.838 2.839 364 2HD LYS 51 2HD LYS 51 2.969 2.775 4.235 365 1HE LYS 51 1HE LYS 51 5.548 2.366 3.839 366 2HE LYS 51 2HE LYS 51 5.442 3.942 3.057 367 1HZ LYS 51 1HZ LYS 51 5.849 3.604 5.668 368 2HZ LYS 51 2HZ LYS 51 4.164 3.747 5.652 369 3HZ LYS 51 3HZ LYS 51 5.123 4.982 5.007 370 H ALA 52 H ALA 52 1.039 -0.795 2.756 371 HA ALA 52 HA ALA 52 -0.640 1.276 1.960 372 1HB ALA 52 1HB ALA 52 -2.120 -1.161 1.983 373 2HB ALA 52 2HB ALA 52 -1.391 -0.319 0.615 374 3HB ALA 52 3HB ALA 52 -0.453 -1.507 1.521 375 H LYS 53 H LYS 53 -1.056 -1.076 4.587 376 HA LYS 53 HA LYS 53 -3.591 -0.479 5.437 377 1HB LYS 53 1HB LYS 53 -2.812 -1.117 7.724 378 2HB LYS 53 2HB LYS 53 -2.352 -2.259 6.468 379 1HG LYS 53 1HG LYS 53 -0.383 -2.121 7.588 380 2HG LYS 53 2HG LYS 53 -0.151 -0.798 6.443 381 1HD LYS 53 1HD LYS 53 0.455 0.156 8.474 382 2HD LYS 53 2HD LYS 53 -1.223 0.670 8.282 383 1HE LYS 53 1HE LYS 53 -1.894 -1.290 9.684 384 2HE LYS 53 2HE LYS 53 -0.183 -1.590 9.985 385 1HZ LYS 53 1HZ LYS 53 -0.019 0.183 11.355 386 2HZ LYS 53 2HZ LYS 53 -1.670 -0.108 11.578 387 3HZ LYS 53 3HZ LYS 53 -1.161 1.105 10.514 388 H GLN 54 H GLN 54 -0.660 1.383 5.911 389 HA GLN 54 HA GLN 54 -1.735 3.181 7.836 390 1HB GLN 54 1HB GLN 54 0.572 3.643 5.939 391 2HB GLN 54 2HB GLN 54 0.246 4.519 7.429 392 1HG GLN 54 1HG GLN 54 0.608 2.456 8.706 393 2HG GLN 54 2HG GLN 54 0.978 1.608 7.205 394 1HE2 GLN 54 1HE2 GLN 54 2.716 1.805 9.404 395 2HE2 GLN 54 2HE2 GLN 54 4.106 2.705 8.912 396 H LEU 55 H LEU 55 -1.533 3.173 4.322 397 HA LEU 55 HA LEU 55 -2.425 5.849 3.964 398 1HB LEU 55 1HB LEU 55 -2.642 3.554 2.025 399 2HB LEU 55 2HB LEU 55 -2.681 5.274 1.642 400 HG LEU 55 HG LEU 55 -0.281 3.819 2.750 401 1HD1 LEU 55 1HD1 LEU 55 -0.328 2.941 0.651 402 2HD1 LEU 55 2HD1 LEU 55 0.488 4.464 0.301 403 3HD1 LEU 55 3HD1 LEU 55 -1.238 4.295 -0.020 404 1HD2 LEU 55 1HD2 LEU 55 -0.365 6.208 3.287 405 2HD2 LEU 55 2HD2 LEU 55 -0.576 6.584 1.577 406 3HD2 LEU 55 3HD2 LEU 55 0.924 5.844 2.139 407 H LYS 56 H LYS 56 -4.030 2.751 4.275 408 HA LYS 56 HA LYS 56 -6.601 3.654 3.434 409 1HB LYS 56 1HB LYS 56 -6.109 1.307 3.314 410 2HB LYS 56 2HB LYS 56 -5.714 1.247 5.027 411 1HG LYS 56 1HG LYS 56 -8.089 1.837 5.517 412 2HG LYS 56 2HG LYS 56 -8.426 1.660 3.793 413 1HD LYS 56 1HD LYS 56 -7.798 -0.654 3.845 414 2HD LYS 56 2HD LYS 56 -7.220 -0.509 5.507 415 1HE LYS 56 1HE LYS 56 -9.367 -0.368 6.374 416 2HE LYS 56 2HE LYS 56 -10.062 0.145 4.837 417 1HZ LYS 56 1HZ LYS 56 -10.491 -2.232 5.610 418 2HZ LYS 56 2HZ LYS 56 -8.891 -2.547 5.162 419 3HZ LYS 56 3HZ LYS 56 -10.002 -2.010 4.006 420 H ASP 57 H ASP 57 -4.917 3.491 6.505 421 HA ASP 57 HA ASP 57 -7.182 4.027 8.141 422 1HB ASP 57 1HB ASP 57 -5.720 4.002 9.917 423 2HB ASP 57 2HB ASP 57 -4.771 3.109 8.731 424 H SER 58 H SER 58 -4.586 6.069 6.834 425 HA SER 58 HA SER 58 -5.598 8.475 7.977 426 1HB SER 58 1HB SER 58 -3.601 7.956 5.768 427 2HB SER 58 2HB SER 58 -3.995 9.572 6.353 428 HG SER 58 HG SER 58 -3.299 7.640 8.241 429 H VAL 59 H VAL 59 -7.836 8.311 7.328 430 HA VAL 59 HA VAL 59 -8.289 9.605 4.757 431 HB VAL 59 HB VAL 59 -10.155 8.081 4.190 432 1HG1 VAL 59 1HG1 VAL 59 -8.825 6.631 3.029 433 2HG1 VAL 59 2HG1 VAL 59 -7.615 7.821 3.513 434 3HG1 VAL 59 3HG1 VAL 59 -7.777 6.311 4.410 435 1HG2 VAL 59 1HG2 VAL 59 -9.534 5.741 5.539 436 2HG2 VAL 59 2HG2 VAL 59 -9.489 6.984 6.789 437 3HG2 VAL 59 3HG2 VAL 59 -10.941 6.768 5.812 438 H THR 60 H THR 60 -10.613 10.307 4.548 439 HA THR 60 HA THR 60 -11.646 11.078 7.199 440 HB THR 60 HB THR 60 -12.670 13.040 6.049 441 HG1 THR 60 HG1 THR 60 -11.516 13.460 3.923 442 1HG2 THR 60 1HG2 THR 60 -9.783 13.248 5.404 443 2HG2 THR 60 2HG2 THR 60 -10.205 12.820 7.062 444 3HG2 THR 60 3HG2 THR 60 -10.811 14.318 6.356 445 H CYS 61 H CYS 61 -12.348 8.623 5.961 446 HA CYS 61 HA CYS 61 -14.914 8.934 4.692 447 1HB CYS 61 1HB CYS 61 -13.524 7.060 4.048 448 2HB CYS 61 2HB CYS 61 -13.453 6.492 5.711 449 HG CYS 61 HG CYS 61 -16.331 6.081 5.725 450 H SER 62 H SER 62 -16.921 8.568 5.558 451 HA SER 62 HA SER 62 -17.229 7.662 8.282 452 1HB SER 62 1HB SER 62 -18.369 9.696 9.071 453 2HB SER 62 2HB SER 62 -16.696 10.036 8.630 454 HG SER 62 HG SER 62 -17.581 11.546 7.459 455 HA PRO 63 HA PRO 63 -21.066 6.240 6.689 456 1HB PRO 63 1HB PRO 63 -22.523 6.087 8.974 457 2HB PRO 63 2HB PRO 63 -21.225 4.952 8.585 458 1HG PRO 63 1HG PRO 63 -21.171 7.351 10.376 459 2HG PRO 63 2HG PRO 63 -20.471 5.743 10.638 460 1HD PRO 63 1HD PRO 63 -18.992 7.862 9.830 461 2HD PRO 63 2HD PRO 63 -18.624 6.197 9.336 462 H GLY 64 H GLY 64 -20.847 9.238 8.401 463 1HA GLY 64 1HA GLY 64 -21.962 11.213 7.808 464 2HA GLY 64 2HA GLY 64 -23.121 10.259 6.895 465 H MET 65 H MET 65 -24.723 11.653 7.910 466 HA MET 65 HA MET 65 -25.158 11.293 10.758 467 1HB MET 65 1HB MET 65 -25.575 13.497 9.975 468 2HB MET 65 2HB MET 65 -26.556 12.915 8.637 469 1HG MET 65 1HG MET 65 -28.196 12.070 10.334 470 2HG MET 65 2HG MET 65 -27.256 12.922 11.557 471 1HE MET 65 1HE MET 65 -28.692 13.976 7.822 472 2HE MET 65 2HE MET 65 -29.716 12.932 8.808 473 3HE MET 65 3HE MET 65 -30.177 14.612 8.530 474 H VAL 66 H VAL 66 -26.044 9.430 11.378 475 HA VAL 66 HA VAL 66 -28.160 8.242 9.715 476 HB VAL 66 HB VAL 66 -27.728 6.141 10.813 477 1HG1 VAL 66 1HG1 VAL 66 -26.323 6.345 8.979 478 2HG1 VAL 66 2HG1 VAL 66 -25.353 7.611 9.735 479 3HG1 VAL 66 3HG1 VAL 66 -25.204 5.939 10.280 480 1HG2 VAL 66 1HG2 VAL 66 -25.455 6.412 12.326 481 2HG2 VAL 66 2HG2 VAL 66 -26.378 7.852 12.755 482 3HG2 VAL 66 3HG2 VAL 66 -27.094 6.252 12.957 483 H SER 67 H SER 67 -30.076 7.467 10.692 484 HA SER 67 HA SER 67 -30.817 8.965 13.096 485 1HB SER 67 1HB SER 67 -32.344 7.794 10.803 486 2HB SER 67 2HB SER 67 -33.170 8.042 12.341 487 HG SER 67 HG SER 67 -31.766 10.029 10.876 488 H GLY 68 H GLY 68 -31.763 7.991 14.892 489 1HA GLY 68 1HA GLY 68 -31.602 5.044 14.974 490 2HA GLY 68 2HA GLY 68 -30.951 6.033 16.273 491 HA PRO 69 HA PRO 69 -35.590 4.990 16.787 492 1HB PRO 69 1HB PRO 69 -35.383 2.907 18.515 493 2HB PRO 69 2HB PRO 69 -35.453 2.697 16.761 494 1HG PRO 69 1HG PRO 69 -33.073 2.688 18.576 495 2HG PRO 69 2HG PRO 69 -33.449 1.610 17.220 496 1HD PRO 69 1HD PRO 69 -31.714 3.677 17.000 497 2HD PRO 69 2HD PRO 69 -32.724 3.131 15.647 498 H SER 70 H SER 70 -32.879 5.868 18.542 499 HA SER 70 HA SER 70 -33.810 5.926 21.186 500 1HB SER 70 1HB SER 70 -31.447 6.273 20.585 501 2HB SER 70 2HB SER 70 -31.864 7.814 19.835 502 HG SER 70 HG SER 70 -32.349 8.648 21.814 503 H SER 71 H SER 71 -35.740 6.782 21.670 504 HA SER 71 HA SER 71 -36.109 9.597 21.584 505 1HB SER 71 1HB SER 71 -36.667 8.755 19.188 506 2HB SER 71 2HB SER 71 -38.141 8.127 19.925 507 HG SER 71 HG SER 71 -38.902 10.074 19.898 508 H GLY 72 H GLY 72 -37.200 10.068 23.370 509 1HA GLY 72 1HA GLY 72 -38.738 9.945 25.077 510 2HA GLY 72 2HA GLY 72 -39.618 8.766 24.116 Start of MODEL 5 1 1H GLY 1 1H GLY 1 17.060 -21.749 8.079 2 1HA GLY 1 1HA GLY 1 15.239 -21.996 9.978 3 2HA GLY 1 2HA GLY 1 16.643 -22.606 10.841 4 H SER 2 H SER 2 15.488 -19.797 9.003 5 HA SER 2 HA SER 2 16.899 -18.073 10.911 6 1HB SER 2 1HB SER 2 17.033 -17.831 7.898 7 2HB SER 2 2HB SER 2 17.574 -16.579 9.016 8 HG SER 2 HG SER 2 18.757 -18.973 8.331 9 H SER 3 H SER 3 16.150 -15.770 10.736 10 HA SER 3 HA SER 3 13.649 -15.213 9.476 11 1HB SER 3 1HB SER 3 12.336 -14.898 11.558 12 2HB SER 3 2HB SER 3 12.784 -16.583 11.297 13 HG SER 3 HG SER 3 13.531 -16.426 13.259 14 H GLY 4 H GLY 4 14.245 -13.255 8.771 15 1HA GLY 4 1HA GLY 4 15.522 -11.409 10.681 16 2HA GLY 4 2HA GLY 4 15.619 -11.282 8.931 17 H SER 5 H SER 5 14.858 -9.214 10.775 18 HA SER 5 HA SER 5 12.070 -8.785 9.917 19 1HB SER 5 1HB SER 5 13.422 -7.815 12.446 20 2HB SER 5 2HB SER 5 11.793 -7.369 11.940 21 HG SER 5 HG SER 5 12.317 -9.342 13.430 22 H SER 6 H SER 6 14.993 -7.020 10.947 23 HA SER 6 HA SER 6 14.199 -4.738 9.321 24 1HB SER 6 1HB SER 6 15.057 -4.266 11.550 25 2HB SER 6 2HB SER 6 16.547 -5.138 11.190 26 HG SER 6 HG SER 6 15.845 -2.582 10.582 27 H GLY 7 H GLY 7 14.445 -5.650 7.238 28 1HA GLY 7 1HA GLY 7 17.187 -5.517 6.271 29 2HA GLY 7 2HA GLY 7 16.378 -7.064 6.063 30 H ALA 8 H ALA 8 15.471 -3.641 5.623 31 HA ALA 8 HA ALA 8 15.170 -3.945 2.795 32 1HB ALA 8 1HB ALA 8 12.556 -3.213 3.890 33 2HB ALA 8 2HB ALA 8 12.969 -4.274 2.542 34 3HB ALA 8 3HB ALA 8 13.029 -4.885 4.196 35 HA PRO 9 HA PRO 9 15.820 0.399 3.104 36 1HB PRO 9 1HB PRO 9 15.050 1.126 0.604 37 2HB PRO 9 2HB PRO 9 16.570 0.287 0.935 38 1HG PRO 9 1HG PRO 9 13.969 -0.823 -0.046 39 2HG PRO 9 2HG PRO 9 15.618 -1.188 -0.590 40 1HD PRO 9 1HD PRO 9 14.247 -2.807 1.093 41 2HD PRO 9 2HD PRO 9 16.012 -2.630 1.164 42 H GLU 10 H GLU 10 14.667 2.490 2.771 43 HA GLU 10 HA GLU 10 12.047 2.348 3.892 44 1HB GLU 10 1HB GLU 10 12.094 4.808 3.757 45 2HB GLU 10 2HB GLU 10 13.552 4.160 4.495 46 1HG GLU 10 1HG GLU 10 14.686 4.389 2.290 47 2HG GLU 10 2HG GLU 10 13.244 5.208 1.694 48 H TRP 11 H TRP 11 10.438 4.112 2.822 49 HA TRP 11 HA TRP 11 9.843 2.994 0.186 50 1HB TRP 11 1HB TRP 11 8.208 4.434 2.258 51 2HB TRP 11 2HB TRP 11 7.632 4.285 0.600 52 HD1 TRP 11 HD1 TRP 11 8.298 2.208 3.737 53 HE1 TRP 11 HE1 TRP 11 7.149 -0.080 3.471 54 HE3 TRP 11 HE3 TRP 11 6.852 2.590 -1.151 55 HZ2 TRP 11 HZ2 TRP 11 5.808 -1.531 1.455 56 HZ3 TRP 11 HZ3 TRP 11 5.641 0.707 -2.173 57 HH2 TRP 11 HH2 TRP 11 5.131 -1.310 -0.896 58 H THR 12 H THR 12 9.902 4.146 -1.652 59 HA THR 12 HA THR 12 10.442 7.037 -1.437 60 HB THR 12 HB THR 12 11.814 6.887 -3.453 61 HG1 THR 12 HG1 THR 12 10.784 5.038 -4.381 62 1HG2 THR 12 1HG2 THR 12 13.356 4.887 -2.254 63 2HG2 THR 12 2HG2 THR 12 12.451 5.629 -0.934 64 3HG2 THR 12 3HG2 THR 12 13.466 6.625 -1.977 65 H GLU 13 H GLU 13 9.578 8.390 -3.053 66 HA GLU 13 HA GLU 13 7.025 8.213 -3.766 67 1HB GLU 13 1HB GLU 13 9.353 9.452 -5.137 68 2HB GLU 13 2HB GLU 13 7.847 9.365 -6.039 69 1HG GLU 13 1HG GLU 13 6.747 10.792 -4.613 70 2HG GLU 13 2HG GLU 13 7.825 10.444 -3.263 71 H GLU 14 H GLU 14 9.657 6.765 -5.653 72 HA GLU 14 HA GLU 14 8.120 5.762 -7.759 73 1HB GLU 14 1HB GLU 14 10.586 5.853 -7.769 74 2HB GLU 14 2HB GLU 14 10.630 4.576 -6.562 75 1HG GLU 14 1HG GLU 14 10.983 3.366 -8.458 76 2HG GLU 14 2HG GLU 14 9.227 3.267 -8.343 77 H ASP 15 H ASP 15 9.060 4.235 -4.694 78 HA ASP 15 HA ASP 15 7.647 1.810 -5.234 79 1HB ASP 15 1HB ASP 15 9.162 2.954 -2.953 80 2HB ASP 15 2HB ASP 15 7.963 1.724 -2.564 81 H LEU 16 H LEU 16 6.856 4.858 -3.752 82 HA LEU 16 HA LEU 16 4.438 3.909 -2.511 83 1HB LEU 16 1HB LEU 16 5.770 6.554 -2.851 84 2HB LEU 16 2HB LEU 16 4.064 6.507 -2.411 85 HG LEU 16 HG LEU 16 6.231 5.139 -0.825 86 1HD1 LEU 16 1HD1 LEU 16 5.477 7.200 0.723 87 2HD1 LEU 16 2HD1 LEU 16 5.336 7.948 -0.868 88 3HD1 LEU 16 3HD1 LEU 16 6.872 7.249 -0.355 89 1HD2 LEU 16 1HD2 LEU 16 4.294 5.531 0.919 90 2HD2 LEU 16 2HD2 LEU 16 4.297 4.128 -0.149 91 3HD2 LEU 16 3HD2 LEU 16 3.297 5.529 -0.535 92 H SER 17 H SER 17 5.361 5.258 -5.571 93 HA SER 17 HA SER 17 2.641 5.892 -6.342 94 1HB SER 17 1HB SER 17 4.938 7.010 -7.095 95 2HB SER 17 2HB SER 17 4.847 5.773 -8.348 96 HG SER 17 HG SER 17 3.134 6.728 -9.194 97 H GLN 18 H GLN 18 4.990 3.343 -6.842 98 HA GLN 18 HA GLN 18 3.644 2.027 -8.959 99 1HB GLN 18 1HB GLN 18 5.759 1.225 -6.992 100 2HB GLN 18 2HB GLN 18 5.023 0.013 -8.031 101 1HG GLN 18 1HG GLN 18 6.095 2.501 -9.260 102 2HG GLN 18 2HG GLN 18 7.218 1.247 -8.736 103 1HE2 GLN 18 1HE2 GLN 18 4.385 1.845 -10.744 104 2HE2 GLN 18 2HE2 GLN 18 4.715 0.602 -11.897 105 H LEU 19 H LEU 19 3.574 1.640 -5.442 106 HA LEU 19 HA LEU 19 2.106 -0.647 -5.152 107 1HB LEU 19 1HB LEU 19 2.965 0.590 -3.264 108 2HB LEU 19 2HB LEU 19 1.861 1.923 -3.596 109 HG LEU 19 HG LEU 19 -0.037 0.406 -3.065 110 1HD1 LEU 19 1HD1 LEU 19 0.657 -1.762 -3.379 111 2HD1 LEU 19 2HD1 LEU 19 0.760 -1.619 -1.625 112 3HD1 LEU 19 3HD1 LEU 19 2.219 -1.490 -2.607 113 1HD2 LEU 19 1HD2 LEU 19 0.437 0.334 -0.601 114 2HD2 LEU 19 2HD2 LEU 19 0.681 1.905 -1.365 115 3HD2 LEU 19 3HD2 LEU 19 2.069 0.891 -0.969 116 H THR 20 H THR 20 0.778 2.631 -5.576 117 HA THR 20 HA THR 20 -1.912 2.062 -5.525 118 HB THR 20 HB THR 20 -0.620 4.026 -7.426 119 HG1 THR 20 HG1 THR 20 -1.574 4.662 -4.842 120 1HG2 THR 20 1HG2 THR 20 -2.746 4.395 -8.023 121 2HG2 THR 20 2HG2 THR 20 -2.966 5.096 -6.419 122 3HG2 THR 20 3HG2 THR 20 -3.368 3.403 -6.705 123 H ARG 21 H ARG 21 0.364 1.625 -8.179 124 HA ARG 21 HA ARG 21 -1.613 0.954 -10.123 125 1HB ARG 21 1HB ARG 21 1.324 0.245 -10.146 126 2HB ARG 21 2HB ARG 21 0.242 0.311 -11.530 127 1HG ARG 21 1HG ARG 21 -0.053 2.811 -10.736 128 2HG ARG 21 2HG ARG 21 1.533 2.514 -10.021 129 1HD ARG 21 1HD ARG 21 1.821 3.443 -12.223 130 2HD ARG 21 2HD ARG 21 2.341 1.759 -12.234 131 HE ARG 21 HE ARG 21 -0.381 2.029 -13.025 132 1HH1 ARG 21 1HH1 ARG 21 2.899 2.368 -14.140 133 2HH1 ARG 21 2HH1 ARG 21 2.500 2.095 -15.804 134 1HH2 ARG 21 1HH2 ARG 21 -0.919 1.667 -15.212 135 2HH2 ARG 21 2HH2 ARG 21 0.328 1.697 -16.412 136 H SER 22 H SER 22 0.603 -0.948 -8.104 137 HA SER 22 HA SER 22 -0.100 -3.478 -9.084 138 1HB SER 22 1HB SER 22 0.821 -4.332 -6.928 139 2HB SER 22 2HB SER 22 1.888 -3.180 -7.729 140 HG SER 22 HG SER 22 0.214 -2.755 -5.488 141 H MET 23 H MET 23 -1.314 -1.712 -6.240 142 HA MET 23 HA MET 23 -3.057 -3.479 -5.158 143 1HB MET 23 1HB MET 23 -3.486 -0.528 -5.638 144 2HB MET 23 2HB MET 23 -4.520 -1.506 -4.605 145 1HG MET 23 1HG MET 23 -2.512 -2.065 -3.244 146 2HG MET 23 2HG MET 23 -1.598 -0.916 -4.217 147 1HE MET 23 1HE MET 23 -4.093 -0.087 -0.598 148 2HE MET 23 2HE MET 23 -4.111 -1.593 -1.516 149 3HE MET 23 3HE MET 23 -2.613 -1.032 -0.771 150 H VAL 24 H VAL 24 -3.509 -1.669 -8.140 151 HA VAL 24 HA VAL 24 -6.231 -2.367 -8.539 152 HB VAL 24 HB VAL 24 -4.142 -1.550 -10.563 153 1HG1 VAL 24 1HG1 VAL 24 -6.221 -2.774 -11.404 154 2HG1 VAL 24 2HG1 VAL 24 -7.118 -1.340 -10.899 155 3HG1 VAL 24 3HG1 VAL 24 -5.855 -1.206 -12.124 156 1HG2 VAL 24 1HG2 VAL 24 -4.792 0.012 -8.607 157 2HG2 VAL 24 2HG2 VAL 24 -4.791 0.657 -10.248 158 3HG2 VAL 24 3HG2 VAL 24 -6.312 0.205 -9.480 159 H LYS 25 H LYS 25 -3.176 -3.776 -9.636 160 HA LYS 25 HA LYS 25 -4.348 -5.764 -11.286 161 1HB LYS 25 1HB LYS 25 -1.892 -4.875 -11.179 162 2HB LYS 25 2HB LYS 25 -1.683 -6.125 -9.960 163 1HG LYS 25 1HG LYS 25 -2.324 -7.831 -11.543 164 2HG LYS 25 2HG LYS 25 -2.663 -6.605 -12.766 165 1HD LYS 25 1HD LYS 25 -0.405 -6.080 -13.038 166 2HD LYS 25 2HD LYS 25 0.046 -6.812 -11.496 167 1HE LYS 25 1HE LYS 25 -0.782 -9.013 -12.581 168 2HE LYS 25 2HE LYS 25 -0.615 -8.136 -14.101 169 1HZ LYS 25 1HZ LYS 25 1.718 -7.664 -12.730 170 2HZ LYS 25 2HZ LYS 25 1.514 -8.702 -14.050 171 3HZ LYS 25 3HZ LYS 25 1.401 -9.305 -12.474 172 H PHE 26 H PHE 26 -3.739 -5.529 -7.882 173 HA PHE 26 HA PHE 26 -4.913 -8.197 -7.529 174 1HB PHE 26 1HB PHE 26 -2.725 -7.238 -5.705 175 2HB PHE 26 2HB PHE 26 -3.319 -8.877 -5.949 176 HD1 PHE 26 HD1 PHE 26 -0.762 -6.593 -6.715 177 HD2 PHE 26 HD2 PHE 26 -2.962 -9.849 -8.351 178 HE1 PHE 26 HE1 PHE 26 1.049 -7.001 -8.329 179 HE2 PHE 26 HE2 PHE 26 -1.154 -10.263 -9.967 180 HZ PHE 26 HZ PHE 26 0.856 -8.839 -9.957 181 HA PRO 27 HA PRO 27 -7.248 -5.086 -5.077 182 1HB PRO 27 1HB PRO 27 -9.661 -6.257 -5.501 183 2HB PRO 27 2HB PRO 27 -8.933 -5.117 -6.639 184 1HG PRO 27 1HG PRO 27 -8.979 -8.109 -6.723 185 2HG PRO 27 2HG PRO 27 -9.238 -6.948 -8.038 186 1HD PRO 27 1HD PRO 27 -6.884 -8.236 -7.674 187 2HD PRO 27 2HD PRO 27 -6.980 -6.592 -8.337 188 H GLY 28 H GLY 28 -9.280 -5.823 -3.535 189 1HA GLY 28 1HA GLY 28 -8.029 -7.463 -1.539 190 2HA GLY 28 2HA GLY 28 -9.609 -6.703 -1.424 191 H GLY 29 H GLY 29 -8.753 -9.416 -0.670 192 1HA GLY 29 1HA GLY 29 -9.977 -11.397 -0.593 193 2HA GLY 29 2HA GLY 29 -10.945 -10.823 -1.943 194 H THR 30 H THR 30 -8.128 -10.230 -3.187 195 HA THR 30 HA THR 30 -8.069 -12.595 -4.780 196 HB THR 30 HB THR 30 -6.556 -10.039 -4.720 197 HG1 THR 30 HG1 THR 30 -8.010 -11.601 -6.568 198 1HG2 THR 30 1HG2 THR 30 -4.905 -10.879 -6.337 199 2HG2 THR 30 2HG2 THR 30 -5.515 -12.517 -6.100 200 3HG2 THR 30 3HG2 THR 30 -4.737 -11.664 -4.767 201 HA PRO 31 HA PRO 31 -5.348 -15.056 -2.325 202 1HB PRO 31 1HB PRO 31 -4.585 -16.814 -4.247 203 2HB PRO 31 2HB PRO 31 -6.181 -16.853 -3.489 204 1HG PRO 31 1HG PRO 31 -5.364 -15.691 -6.124 205 2HG PRO 31 2HG PRO 31 -6.798 -16.653 -5.722 206 1HD PRO 31 1HD PRO 31 -6.874 -13.957 -5.966 207 2HD PRO 31 2HD PRO 31 -7.919 -14.844 -4.838 208 H GLY 32 H GLY 32 -3.425 -14.292 -1.697 209 1HA GLY 32 1HA GLY 32 -1.124 -13.994 -1.807 210 2HA GLY 32 2HA GLY 32 -1.184 -14.383 -3.520 211 H ARG 33 H ARG 33 -3.310 -11.954 -2.273 212 HA ARG 33 HA ARG 33 -2.692 -9.988 -4.060 213 1HB ARG 33 1HB ARG 33 -4.612 -9.868 -2.550 214 2HB ARG 33 2HB ARG 33 -3.537 -9.607 -1.183 215 1HG ARG 33 1HG ARG 33 -2.739 -7.530 -2.447 216 2HG ARG 33 2HG ARG 33 -4.180 -7.750 -3.441 217 1HD ARG 33 1HD ARG 33 -5.488 -7.803 -1.265 218 2HD ARG 33 2HD ARG 33 -4.017 -7.225 -0.485 219 HE ARG 33 HE ARG 33 -4.675 -5.576 -2.685 220 1HH1 ARG 33 1HH1 ARG 33 -5.664 -6.318 0.569 221 2HH1 ARG 33 2HH1 ARG 33 -6.332 -4.747 0.863 222 1HH2 ARG 33 1HH2 ARG 33 -5.552 -3.504 -2.310 223 2HH2 ARG 33 2HH2 ARG 33 -6.269 -3.148 -0.776 224 H TRP 34 H TRP 34 -1.633 -9.690 -0.674 225 HA TRP 34 HA TRP 34 0.323 -7.770 -1.154 226 1HB TRP 34 1HB TRP 34 0.199 -9.835 1.055 227 2HB TRP 34 2HB TRP 34 1.239 -8.413 1.060 228 HD1 TRP 34 HD1 TRP 34 -1.787 -9.459 2.607 229 HE1 TRP 34 HE1 TRP 34 -3.337 -7.489 3.192 230 HE3 TRP 34 HE3 TRP 34 0.345 -5.852 -0.322 231 HZ2 TRP 34 HZ2 TRP 34 -3.618 -4.766 2.501 232 HZ3 TRP 34 HZ3 TRP 34 -0.625 -3.591 -0.303 233 HH2 TRP 34 HH2 TRP 34 -2.566 -3.062 1.080 234 H GLU 35 H GLU 35 0.451 -11.251 -1.417 235 HA GLU 35 HA GLU 35 3.269 -11.518 -1.492 236 1HB GLU 35 1HB GLU 35 0.938 -13.226 -2.176 237 2HB GLU 35 2HB GLU 35 2.480 -13.657 -2.904 238 1HG GLU 35 1HG GLU 35 3.497 -13.811 -0.704 239 2HG GLU 35 2HG GLU 35 1.976 -13.330 0.046 240 H LYS 36 H LYS 36 0.851 -10.778 -3.909 241 HA LYS 36 HA LYS 36 2.697 -11.057 -6.116 242 1HB LYS 36 1HB LYS 36 -0.101 -9.912 -6.019 243 2HB LYS 36 2HB LYS 36 0.820 -10.221 -7.485 244 1HG LYS 36 1HG LYS 36 0.449 -12.446 -7.415 245 2HG LYS 36 2HG LYS 36 0.479 -12.508 -5.652 246 1HD LYS 36 1HD LYS 36 -1.747 -12.005 -5.461 247 2HD LYS 36 2HD LYS 36 -1.782 -11.094 -6.972 248 1HE LYS 36 1HE LYS 36 -1.382 -14.070 -6.922 249 2HE LYS 36 2HE LYS 36 -2.991 -13.351 -6.907 250 1HZ LYS 36 1HZ LYS 36 -2.515 -12.260 -8.985 251 2HZ LYS 36 2HZ LYS 36 -2.238 -13.920 -9.150 252 3HZ LYS 36 3HZ LYS 36 -0.932 -12.858 -8.989 253 H ILE 37 H ILE 37 1.082 -8.400 -4.405 254 HA ILE 37 HA ILE 37 2.080 -6.288 -5.940 255 HB ILE 37 HB ILE 37 1.313 -6.369 -3.023 256 1HG1 ILE 37 1HG1 ILE 37 -0.162 -5.224 -5.400 257 2HG1 ILE 37 2HG1 ILE 37 -0.448 -6.837 -4.757 258 1HG2 ILE 37 1HG2 ILE 37 2.584 -4.470 -3.009 259 2HG2 ILE 37 2HG2 ILE 37 2.324 -4.150 -4.722 260 3HG2 ILE 37 3HG2 ILE 37 1.048 -3.800 -3.556 261 1HD1 ILE 37 1HD1 ILE 37 -0.764 -5.436 -2.515 262 2HD1 ILE 37 2HD1 ILE 37 -1.224 -4.201 -3.687 263 3HD1 ILE 37 3HD1 ILE 37 -2.078 -5.743 -3.651 264 H ALA 38 H ALA 38 3.475 -8.013 -3.202 265 HA ALA 38 HA ALA 38 5.670 -6.283 -2.778 266 1HB ALA 38 1HB ALA 38 6.333 -7.760 -1.188 267 2HB ALA 38 2HB ALA 38 4.672 -8.320 -1.383 268 3HB ALA 38 3HB ALA 38 5.989 -9.169 -2.192 269 H HIS 39 H HIS 39 5.351 -9.297 -4.639 270 HA HIS 39 HA HIS 39 8.010 -9.448 -5.515 271 1HB HIS 39 1HB HIS 39 6.412 -11.317 -5.683 272 2HB HIS 39 2HB HIS 39 5.516 -10.435 -6.916 273 HD1 HIS 39 HD1 HIS 39 7.873 -13.041 -6.654 274 HD2 HIS 39 HD2 HIS 39 7.465 -9.774 -9.188 275 HE1 HIS 39 HE1 HIS 39 9.234 -13.598 -8.694 276 H GLU 40 H GLU 40 5.345 -7.500 -6.576 277 HA GLU 40 HA GLU 40 6.558 -6.797 -9.101 278 1HB GLU 40 1HB GLU 40 4.120 -5.795 -7.635 279 2HB GLU 40 2HB GLU 40 4.663 -5.105 -9.158 280 1HG GLU 40 1HG GLU 40 4.067 -8.028 -8.837 281 2HG GLU 40 2HG GLU 40 2.835 -6.847 -9.277 282 H LEU 41 H LEU 41 5.877 -5.120 -6.037 283 HA LEU 41 HA LEU 41 7.233 -2.733 -6.785 284 1HB LEU 41 1HB LEU 41 6.458 -3.792 -4.072 285 2HB LEU 41 2HB LEU 41 7.064 -2.166 -4.381 286 HG LEU 41 HG LEU 41 4.447 -3.343 -5.308 287 1HD1 LEU 41 1HD1 LEU 41 3.731 -2.563 -3.355 288 2HD1 LEU 41 2HD1 LEU 41 4.053 -0.942 -3.970 289 3HD1 LEU 41 3HD1 LEU 41 5.278 -1.784 -3.022 290 1HD2 LEU 41 1HD2 LEU 41 4.067 -0.990 -6.162 291 2HD2 LEU 41 2HD2 LEU 41 5.172 -1.993 -7.101 292 3HD2 LEU 41 3HD2 LEU 41 5.809 -0.757 -6.015 293 H GLY 42 H GLY 42 8.237 -5.758 -5.436 294 1HA GLY 42 1HA GLY 42 10.473 -6.504 -5.423 295 2HA GLY 42 2HA GLY 42 11.008 -4.832 -5.500 296 H ARG 43 H ARG 43 8.567 -5.376 -3.203 297 HA ARG 43 HA ARG 43 10.583 -5.371 -1.055 298 1HB ARG 43 1HB ARG 43 7.786 -4.222 -1.078 299 2HB ARG 43 2HB ARG 43 8.846 -4.250 0.324 300 1HG ARG 43 1HG ARG 43 10.435 -2.815 -0.809 301 2HG ARG 43 2HG ARG 43 9.439 -2.835 -2.266 302 1HD ARG 43 1HD ARG 43 7.613 -1.772 -1.017 303 2HD ARG 43 2HD ARG 43 8.629 -1.736 0.424 304 HE ARG 43 HE ARG 43 8.673 0.111 -1.726 305 1HH1 ARG 43 1HH1 ARG 43 10.742 -1.523 0.547 306 2HH1 ARG 43 2HH1 ARG 43 11.950 -0.282 0.540 307 1HH2 ARG 43 1HH2 ARG 43 10.257 1.753 -1.745 308 2HH2 ARG 43 2HH2 ARG 43 11.673 1.582 -0.763 309 H SER 44 H SER 44 9.288 -6.039 1.121 310 HA SER 44 HA SER 44 8.529 -8.805 0.637 311 1HB SER 44 1HB SER 44 9.257 -7.246 3.110 312 2HB SER 44 2HB SER 44 8.574 -8.869 3.209 313 HG SER 44 HG SER 44 10.451 -9.637 2.693 314 H VAL 45 H VAL 45 6.642 -9.761 1.552 315 HA VAL 45 HA VAL 45 4.255 -8.576 1.011 316 HB VAL 45 HB VAL 45 4.874 -10.654 3.106 317 1HG1 VAL 45 1HG1 VAL 45 2.788 -9.440 3.662 318 2HG1 VAL 45 2HG1 VAL 45 2.148 -9.874 2.076 319 3HG1 VAL 45 3HG1 VAL 45 2.517 -11.134 3.255 320 1HG2 VAL 45 1HG2 VAL 45 3.502 -11.946 1.222 321 2HG2 VAL 45 2HG2 VAL 45 4.187 -10.665 0.222 322 3HG2 VAL 45 3HG2 VAL 45 5.250 -11.732 1.139 323 H THR 46 H THR 46 5.243 -9.073 4.396 324 HA THR 46 HA THR 46 3.457 -7.387 5.600 325 HB THR 46 HB THR 46 4.866 -8.803 6.942 326 HG1 THR 46 HG1 THR 46 5.781 -6.269 7.728 327 1HG2 THR 46 1HG2 THR 46 7.183 -8.683 7.086 328 2HG2 THR 46 2HG2 THR 46 7.236 -7.033 6.464 329 3HG2 THR 46 3HG2 THR 46 6.892 -8.376 5.374 330 H ASP 47 H ASP 47 6.602 -6.536 4.217 331 HA ASP 47 HA ASP 47 6.788 -3.900 5.045 332 1HB ASP 47 1HB ASP 47 8.425 -5.387 3.647 333 2HB ASP 47 2HB ASP 47 7.607 -4.667 2.264 334 H VAL 48 H VAL 48 5.052 -5.253 2.278 335 HA VAL 48 HA VAL 48 4.215 -2.718 1.258 336 HB VAL 48 HB VAL 48 2.650 -5.171 0.637 337 1HG1 VAL 48 1HG1 VAL 48 2.948 -2.614 -0.443 338 2HG1 VAL 48 2HG1 VAL 48 3.751 -3.697 -1.581 339 3HG1 VAL 48 3HG1 VAL 48 2.065 -3.971 -1.141 340 1HG2 VAL 48 1HG2 VAL 48 5.565 -4.955 0.358 341 2HG2 VAL 48 2HG2 VAL 48 4.528 -6.381 0.369 342 3HG2 VAL 48 3HG2 VAL 48 4.712 -5.437 -1.109 343 H THR 49 H THR 49 2.236 -5.378 2.574 344 HA THR 49 HA THR 49 -0.117 -4.039 2.940 345 HB THR 49 HB THR 49 -0.403 -6.240 3.457 346 HG1 THR 49 HG1 THR 49 0.174 -5.512 6.123 347 1HG2 THR 49 1HG2 THR 49 1.302 -7.256 5.269 348 2HG2 THR 49 2HG2 THR 49 2.337 -6.022 4.549 349 3HG2 THR 49 3HG2 THR 49 1.617 -7.272 3.535 350 H THR 50 H THR 50 2.608 -4.182 5.209 351 HA THR 50 HA THR 50 1.452 -2.753 7.310 352 HB THR 50 HB THR 50 4.350 -2.906 6.464 353 HG1 THR 50 HG1 THR 50 3.492 -4.901 7.103 354 1HG2 THR 50 1HG2 THR 50 4.384 -2.414 9.141 355 2HG2 THR 50 2HG2 THR 50 3.027 -1.413 8.623 356 3HG2 THR 50 3HG2 THR 50 4.617 -1.187 7.897 357 H LYS 51 H LYS 51 2.756 -1.675 4.279 358 HA LYS 51 HA LYS 51 2.895 1.102 5.102 359 1HB LYS 51 1HB LYS 51 4.576 0.470 3.561 360 2HB LYS 51 2HB LYS 51 3.420 -0.335 2.508 361 1HG LYS 51 1HG LYS 51 4.227 1.792 1.585 362 2HG LYS 51 2HG LYS 51 2.481 1.785 1.845 363 1HD LYS 51 1HD LYS 51 3.087 3.850 2.692 364 2HD LYS 51 2HD LYS 51 3.087 2.845 4.143 365 1HE LYS 51 1HE LYS 51 5.382 2.834 4.298 366 2HE LYS 51 2HE LYS 51 5.606 3.113 2.572 367 1HZ LYS 51 1HZ LYS 51 4.375 5.216 4.212 368 2HZ LYS 51 2HZ LYS 51 5.296 5.357 2.801 369 3HZ LYS 51 3HZ LYS 51 6.053 5.007 4.273 370 H ALA 52 H ALA 52 0.974 -0.854 2.836 371 HA ALA 52 HA ALA 52 -0.722 1.182 1.942 372 1HB ALA 52 1HB ALA 52 -2.264 -1.132 1.927 373 2HB ALA 52 2HB ALA 52 -1.249 -0.526 0.618 374 3HB ALA 52 3HB ALA 52 -0.601 -1.699 1.765 375 H LYS 53 H LYS 53 -1.049 -1.049 4.678 376 HA LYS 53 HA LYS 53 -3.604 -0.469 5.513 377 1HB LYS 53 1HB LYS 53 -2.800 -1.022 7.815 378 2HB LYS 53 2HB LYS 53 -2.343 -2.202 6.593 379 1HG LYS 53 1HG LYS 53 -0.364 -2.013 7.686 380 2HG LYS 53 2HG LYS 53 -0.154 -0.724 6.499 381 1HD LYS 53 1HD LYS 53 0.444 0.350 8.449 382 2HD LYS 53 2HD LYS 53 -1.270 0.758 8.340 383 1HE LYS 53 1HE LYS 53 -0.203 -1.584 9.906 384 2HE LYS 53 2HE LYS 53 -0.487 0.009 10.606 385 1HZ LYS 53 1HZ LYS 53 -2.836 -0.249 9.730 386 2HZ LYS 53 2HZ LYS 53 -2.410 -1.209 11.056 387 3HZ LYS 53 3HZ LYS 53 -2.472 -1.886 9.506 388 H GLN 54 H GLN 54 -0.706 1.457 5.855 389 HA GLN 54 HA GLN 54 -1.782 3.302 7.744 390 1HB GLN 54 1HB GLN 54 0.511 3.713 5.820 391 2HB GLN 54 2HB GLN 54 0.181 4.649 7.272 392 1HG GLN 54 1HG GLN 54 0.534 2.598 8.614 393 2HG GLN 54 2HG GLN 54 0.993 1.755 7.136 394 1HE2 GLN 54 1HE2 GLN 54 3.072 1.334 7.770 395 2HE2 GLN 54 2HE2 GLN 54 4.273 2.563 7.949 396 H LEU 55 H LEU 55 -1.713 3.098 4.250 397 HA LEU 55 HA LEU 55 -2.590 5.775 3.784 398 1HB LEU 55 1HB LEU 55 -2.869 3.416 1.937 399 2HB LEU 55 2HB LEU 55 -2.848 5.123 1.500 400 HG LEU 55 HG LEU 55 -0.468 3.762 2.734 401 1HD1 LEU 55 1HD1 LEU 55 -0.853 4.158 -0.216 402 2HD1 LEU 55 2HD1 LEU 55 -1.284 2.652 0.591 403 3HD1 LEU 55 3HD1 LEU 55 0.385 3.221 0.620 404 1HD2 LEU 55 1HD2 LEU 55 0.751 5.608 1.834 405 2HD2 LEU 55 2HD2 LEU 55 -0.632 6.254 2.718 406 3HD2 LEU 55 3HD2 LEU 55 -0.665 6.186 0.955 407 H LYS 56 H LYS 56 -4.171 2.690 4.271 408 HA LYS 56 HA LYS 56 -6.756 3.484 3.410 409 1HB LYS 56 1HB LYS 56 -6.120 1.130 3.580 410 2HB LYS 56 2HB LYS 56 -5.921 1.293 5.320 411 1HG LYS 56 1HG LYS 56 -8.252 1.609 5.641 412 2HG LYS 56 2HG LYS 56 -8.531 1.770 3.906 413 1HD LYS 56 1HD LYS 56 -9.212 -0.416 4.421 414 2HD LYS 56 2HD LYS 56 -7.606 -0.604 3.714 415 1HE LYS 56 1HE LYS 56 -7.382 -1.941 5.552 416 2HE LYS 56 2HE LYS 56 -6.853 -0.404 6.234 417 1HZ LYS 56 1HZ LYS 56 -9.075 -0.070 7.119 418 2HZ LYS 56 2HZ LYS 56 -8.424 -1.525 7.686 419 3HZ LYS 56 3HZ LYS 56 -9.588 -1.541 6.459 420 H ASP 57 H ASP 57 -5.245 3.277 6.619 421 HA ASP 57 HA ASP 57 -7.474 4.138 8.095 422 1HB ASP 57 1HB ASP 57 -4.528 4.027 8.602 423 2HB ASP 57 2HB ASP 57 -5.552 4.918 9.725 424 H SER 58 H SER 58 -4.692 5.961 6.834 425 HA SER 58 HA SER 58 -5.023 8.441 7.767 426 1HB SER 58 1HB SER 58 -3.373 7.840 6.030 427 2HB SER 58 2HB SER 58 -4.660 7.819 4.825 428 HG SER 58 HG SER 58 -3.651 9.815 4.763 429 H VAL 59 H VAL 59 -7.050 6.993 5.250 430 HA VAL 59 HA VAL 59 -8.897 9.274 5.506 431 HB VAL 59 HB VAL 59 -9.806 8.622 3.319 432 1HG1 VAL 59 1HG1 VAL 59 -7.937 9.356 1.960 433 2HG1 VAL 59 2HG1 VAL 59 -7.979 10.265 3.472 434 3HG1 VAL 59 3HG1 VAL 59 -6.810 8.962 3.257 435 1HG2 VAL 59 1HG2 VAL 59 -8.539 6.193 3.835 436 2HG2 VAL 59 2HG2 VAL 59 -9.395 6.653 2.364 437 3HG2 VAL 59 3HG2 VAL 59 -7.652 6.895 2.482 438 H THR 60 H THR 60 -11.166 8.842 5.538 439 HA THR 60 HA THR 60 -11.839 6.136 6.497 440 HB THR 60 HB THR 60 -13.581 7.172 7.918 441 HG1 THR 60 HG1 THR 60 -14.056 9.163 7.352 442 1HG2 THR 60 1HG2 THR 60 -10.693 7.509 8.272 443 2HG2 THR 60 2HG2 THR 60 -11.899 6.841 9.372 444 3HG2 THR 60 3HG2 THR 60 -11.667 8.586 9.273 445 H CYS 61 H CYS 61 -12.771 5.247 4.729 446 HA CYS 61 HA CYS 61 -15.118 6.641 3.627 447 1HB CYS 61 1HB CYS 61 -12.831 5.356 2.217 448 2HB CYS 61 2HB CYS 61 -14.431 5.174 1.508 449 HG CYS 61 HG CYS 61 -14.258 8.296 2.190 450 H SER 62 H SER 62 -16.537 5.496 4.942 451 HA SER 62 HA SER 62 -17.112 2.802 4.026 452 1HB SER 62 1HB SER 62 -17.023 1.741 6.149 453 2HB SER 62 2HB SER 62 -15.509 2.635 6.007 454 HG SER 62 HG SER 62 -17.730 3.126 7.635 455 HA PRO 63 HA PRO 63 -21.233 4.273 4.487 456 1HB PRO 63 1HB PRO 63 -22.541 1.894 4.536 457 2HB PRO 63 2HB PRO 63 -21.838 2.574 3.064 458 1HG PRO 63 1HG PRO 63 -20.739 0.474 4.892 459 2HG PRO 63 2HG PRO 63 -20.753 0.519 3.119 460 1HD PRO 63 1HD PRO 63 -18.564 1.165 4.576 461 2HD PRO 63 2HD PRO 63 -18.931 1.927 3.016 462 H GLY 64 H GLY 64 -22.716 4.691 6.077 463 1HA GLY 64 1HA GLY 64 -21.992 3.930 8.763 464 2HA GLY 64 2HA GLY 64 -23.303 5.005 8.298 465 H MET 65 H MET 65 -25.219 3.901 7.269 466 HA MET 65 HA MET 65 -25.609 1.141 8.102 467 1HB MET 65 1HB MET 65 -26.247 2.554 10.058 468 2HB MET 65 2HB MET 65 -27.462 3.331 9.052 469 1HG MET 65 1HG MET 65 -28.659 1.270 8.802 470 2HG MET 65 2HG MET 65 -27.384 0.383 9.635 471 1HE MET 65 1HE MET 65 -27.136 1.849 12.904 472 2HE MET 65 2HE MET 65 -27.930 0.275 12.942 473 3HE MET 65 3HE MET 65 -26.670 0.599 11.750 474 H VAL 66 H VAL 66 -27.309 0.094 7.034 475 HA VAL 66 HA VAL 66 -28.158 1.431 4.582 476 HB VAL 66 HB VAL 66 -27.140 -0.821 4.436 477 1HG1 VAL 66 1HG1 VAL 66 -27.990 -2.693 5.436 478 2HG1 VAL 66 2HG1 VAL 66 -28.428 -1.484 6.645 479 3HG1 VAL 66 3HG1 VAL 66 -29.633 -2.055 5.490 480 1HG2 VAL 66 1HG2 VAL 66 -28.876 0.111 2.813 481 2HG2 VAL 66 2HG2 VAL 66 -28.592 -1.630 2.777 482 3HG2 VAL 66 3HG2 VAL 66 -30.018 -0.986 3.591 483 H SER 67 H SER 67 -29.507 -0.111 7.450 484 HA SER 67 HA SER 67 -32.219 0.530 6.556 485 1HB SER 67 1HB SER 67 -32.976 -0.875 8.403 486 2HB SER 67 2HB SER 67 -31.780 -1.743 7.441 487 HG SER 67 HG SER 67 -30.289 -0.690 9.148 488 H GLY 68 H GLY 68 -33.685 1.674 7.932 489 1HA GLY 68 1HA GLY 68 -32.527 3.177 10.152 490 2HA GLY 68 2HA GLY 68 -33.102 4.110 8.779 491 HA PRO 69 HA PRO 69 -37.065 4.234 10.663 492 1HB PRO 69 1HB PRO 69 -38.598 4.686 8.468 493 2HB PRO 69 2HB PRO 69 -37.557 5.922 9.184 494 1HG PRO 69 1HG PRO 69 -37.057 4.167 6.811 495 2HG PRO 69 2HG PRO 69 -36.723 5.897 7.014 496 1HD PRO 69 1HD PRO 69 -34.801 4.004 7.254 497 2HD PRO 69 2HD PRO 69 -34.779 5.512 8.191 498 H SER 70 H SER 70 -37.195 2.035 11.334 499 HA SER 70 HA SER 70 -37.979 -0.064 9.590 500 1HB SER 70 1HB SER 70 -38.265 0.087 12.601 501 2HB SER 70 2HB SER 70 -38.305 -1.378 11.620 502 HG SER 70 HG SER 70 -36.095 -0.413 10.921 503 H SER 71 H SER 71 -39.838 0.178 8.490 504 HA SER 71 HA SER 71 -42.242 1.020 9.951 505 1HB SER 71 1HB SER 71 -43.179 1.678 7.891 506 2HB SER 71 2HB SER 71 -41.486 2.152 7.762 507 HG SER 71 HG SER 71 -41.262 -0.048 6.752 508 H GLY 72 H GLY 72 -43.083 -0.755 10.906 509 1HA GLY 72 1HA GLY 72 -44.697 -2.535 9.665 510 2HA GLY 72 2HA GLY 72 -43.125 -3.314 9.562 Start of MODEL 6 1 1H GLY 1 1H GLY 1 26.867 -10.002 -3.682 2 1HA GLY 1 1HA GLY 1 29.281 -10.335 -2.668 3 2HA GLY 1 2HA GLY 1 29.559 -8.868 -3.594 4 H SER 2 H SER 2 26.949 -10.044 -1.467 5 HA SER 2 HA SER 2 27.196 -7.521 0.038 6 1HB SER 2 1HB SER 2 25.128 -7.379 -1.120 7 2HB SER 2 2HB SER 2 24.727 -9.059 -0.765 8 HG SER 2 HG SER 2 23.894 -7.060 0.572 9 H SER 3 H SER 3 26.996 -7.604 2.268 10 HA SER 3 HA SER 3 27.931 -9.931 3.537 11 1HB SER 3 1HB SER 3 26.544 -7.553 4.798 12 2HB SER 3 2HB SER 3 27.559 -8.729 5.634 13 HG SER 3 HG SER 3 29.241 -7.652 5.007 14 H GLY 4 H GLY 4 24.700 -8.427 3.567 15 1HA GLY 4 1HA GLY 4 23.279 -10.829 3.459 16 2HA GLY 4 2HA GLY 4 23.477 -10.416 5.156 17 H SER 5 H SER 5 21.009 -10.589 3.688 18 HA SER 5 HA SER 5 20.063 -8.007 2.994 19 1HB SER 5 1HB SER 5 18.799 -10.667 3.512 20 2HB SER 5 2HB SER 5 17.768 -9.236 3.470 21 HG SER 5 HG SER 5 18.170 -8.983 1.382 22 H SER 6 H SER 6 20.811 -6.746 4.800 23 HA SER 6 HA SER 6 20.312 -7.026 7.452 24 1HB SER 6 1HB SER 6 20.110 -4.501 7.532 25 2HB SER 6 2HB SER 6 21.537 -5.117 6.699 26 HG SER 6 HG SER 6 20.004 -4.934 4.763 27 H GLY 7 H GLY 7 18.015 -5.901 5.006 28 1HA GLY 7 1HA GLY 7 15.748 -6.935 6.211 29 2HA GLY 7 2HA GLY 7 15.925 -5.305 6.845 30 H ALA 8 H ALA 8 15.531 -3.548 5.529 31 HA ALA 8 HA ALA 8 15.174 -3.725 2.722 32 1HB ALA 8 1HB ALA 8 12.537 -3.040 3.623 33 2HB ALA 8 2HB ALA 8 13.040 -4.288 2.483 34 3HB ALA 8 3HB ALA 8 12.983 -4.643 4.209 35 HA PRO 9 HA PRO 9 15.712 0.612 3.243 36 1HB PRO 9 1HB PRO 9 14.875 1.457 0.802 37 2HB PRO 9 2HB PRO 9 16.420 0.637 1.057 38 1HG PRO 9 1HG PRO 9 13.824 -0.477 0.066 39 2HG PRO 9 2HG PRO 9 15.469 -0.774 -0.528 40 1HD PRO 9 1HD PRO 9 14.168 -2.514 1.088 41 2HD PRO 9 2HD PRO 9 15.929 -2.301 1.136 42 H GLU 10 H GLU 10 14.409 2.717 2.606 43 HA GLU 10 HA GLU 10 11.846 2.465 3.926 44 1HB GLU 10 1HB GLU 10 11.848 4.851 4.055 45 2HB GLU 10 2HB GLU 10 13.476 4.304 4.430 46 1HG GLU 10 1HG GLU 10 14.255 4.922 2.255 47 2HG GLU 10 2HG GLU 10 12.615 5.292 1.724 48 H TRP 11 H TRP 11 10.177 4.214 2.923 49 HA TRP 11 HA TRP 11 9.591 3.161 0.256 50 1HB TRP 11 1HB TRP 11 7.916 4.469 2.386 51 2HB TRP 11 2HB TRP 11 7.330 4.320 0.731 52 HD1 TRP 11 HD1 TRP 11 8.164 2.211 3.813 53 HE1 TRP 11 HE1 TRP 11 7.114 -0.121 3.521 54 HE3 TRP 11 HE3 TRP 11 6.572 2.637 -1.026 55 HZ2 TRP 11 HZ2 TRP 11 5.788 -1.586 1.506 56 HZ3 TRP 11 HZ3 TRP 11 5.421 0.724 -2.062 57 HH2 TRP 11 HH2 TRP 11 5.039 -1.343 -0.820 58 H THR 12 H THR 12 9.511 4.398 -1.537 59 HA THR 12 HA THR 12 9.944 7.296 -1.213 60 HB THR 12 HB THR 12 11.294 7.277 -3.265 61 HG1 THR 12 HG1 THR 12 10.781 5.546 -4.444 62 1HG2 THR 12 1HG2 THR 12 12.619 7.177 -1.337 63 2HG2 THR 12 2HG2 THR 12 13.224 5.854 -2.333 64 3HG2 THR 12 3HG2 THR 12 12.140 5.518 -0.983 65 H GLU 13 H GLU 13 9.001 8.665 -2.767 66 HA GLU 13 HA GLU 13 6.457 8.378 -3.483 67 1HB GLU 13 1HB GLU 13 8.708 9.802 -4.801 68 2HB GLU 13 2HB GLU 13 7.206 9.671 -5.705 69 1HG GLU 13 1HG GLU 13 6.027 10.953 -4.194 70 2HG GLU 13 2HG GLU 13 7.162 10.638 -2.883 71 H GLU 14 H GLU 14 9.160 6.970 -5.244 72 HA GLU 14 HA GLU 14 7.696 6.039 -7.470 73 1HB GLU 14 1HB GLU 14 10.211 6.234 -7.278 74 2HB GLU 14 2HB GLU 14 10.175 4.762 -6.318 75 1HG GLU 14 1HG GLU 14 8.874 3.806 -8.371 76 2HG GLU 14 2HG GLU 14 9.642 5.145 -9.221 77 H ASP 15 H ASP 15 8.684 4.423 -4.461 78 HA ASP 15 HA ASP 15 7.323 1.990 -5.099 79 1HB ASP 15 1HB ASP 15 8.836 3.063 -2.780 80 2HB ASP 15 2HB ASP 15 7.680 1.777 -2.445 81 H LEU 16 H LEU 16 6.472 4.956 -3.505 82 HA LEU 16 HA LEU 16 4.096 3.892 -2.265 83 1HB LEU 16 1HB LEU 16 5.359 6.583 -2.501 84 2HB LEU 16 2HB LEU 16 3.664 6.468 -2.033 85 HG LEU 16 HG LEU 16 5.892 5.081 -0.553 86 1HD1 LEU 16 1HD1 LEU 16 6.502 7.179 0.001 87 2HD1 LEU 16 2HD1 LEU 16 5.130 7.055 1.102 88 3HD1 LEU 16 3HD1 LEU 16 4.943 7.870 -0.451 89 1HD2 LEU 16 1HD2 LEU 16 2.968 5.538 -0.057 90 2HD2 LEU 16 2HD2 LEU 16 4.088 5.198 1.263 91 3HD2 LEU 16 3HD2 LEU 16 3.873 4.024 -0.036 92 H SER 17 H SER 17 4.948 5.445 -5.256 93 HA SER 17 HA SER 17 2.203 6.027 -5.969 94 1HB SER 17 1HB SER 17 4.861 6.397 -7.318 95 2HB SER 17 2HB SER 17 3.367 6.547 -8.243 96 HG SER 17 HG SER 17 4.299 8.512 -7.183 97 H GLN 18 H GLN 18 4.601 3.562 -6.585 98 HA GLN 18 HA GLN 18 3.228 2.326 -8.757 99 1HB GLN 18 1HB GLN 18 5.501 1.540 -6.970 100 2HB GLN 18 2HB GLN 18 4.765 0.342 -8.026 101 1HG GLN 18 1HG GLN 18 5.592 2.937 -9.207 102 2HG GLN 18 2HG GLN 18 6.842 1.770 -8.781 103 1HE2 GLN 18 1HE2 GLN 18 3.837 2.139 -10.593 104 2HE2 GLN 18 2HE2 GLN 18 4.219 0.976 -11.812 105 H LEU 19 H LEU 19 3.321 1.815 -5.267 106 HA LEU 19 HA LEU 19 2.067 -0.586 -4.970 107 1HB LEU 19 1HB LEU 19 2.853 0.790 -3.110 108 2HB LEU 19 2HB LEU 19 1.529 1.921 -3.383 109 HG LEU 19 HG LEU 19 -0.076 0.161 -2.765 110 1HD1 LEU 19 1HD1 LEU 19 2.390 -1.459 -2.146 111 2HD1 LEU 19 2HD1 LEU 19 1.223 -1.786 -3.426 112 3HD1 LEU 19 3HD1 LEU 19 0.734 -1.906 -1.736 113 1HD2 LEU 19 1HD2 LEU 19 0.696 -0.024 -0.330 114 2HD2 LEU 19 2HD2 LEU 19 0.466 1.592 -0.999 115 3HD2 LEU 19 3HD2 LEU 19 2.092 0.927 -0.837 116 H THR 20 H THR 20 0.446 2.553 -5.403 117 HA THR 20 HA THR 20 -2.185 1.693 -5.314 118 HB THR 20 HB THR 20 -1.096 3.874 -7.105 119 HG1 THR 20 HG1 THR 20 -1.543 3.707 -4.352 120 1HG2 THR 20 1HG2 THR 20 -3.812 2.995 -6.336 121 2HG2 THR 20 2HG2 THR 20 -3.257 3.823 -7.791 122 3HG2 THR 20 3HG2 THR 20 -3.517 4.733 -6.304 123 H ARG 21 H ARG 21 0.105 1.616 -7.990 124 HA ARG 21 HA ARG 21 -1.768 0.867 -9.985 125 1HB ARG 21 1HB ARG 21 1.204 0.323 -9.945 126 2HB ARG 21 2HB ARG 21 0.159 0.361 -11.359 127 1HG ARG 21 1HG ARG 21 0.302 2.797 -9.669 128 2HG ARG 21 2HG ARG 21 1.685 2.406 -10.693 129 1HD ARG 21 1HD ARG 21 0.168 3.882 -11.871 130 2HD ARG 21 2HD ARG 21 0.190 2.295 -12.640 131 HE ARG 21 HE ARG 21 -1.920 2.696 -10.704 132 1HH1 ARG 21 1HH1 ARG 21 -0.959 2.886 -14.044 133 2HH1 ARG 21 2HH1 ARG 21 -2.580 2.816 -14.650 134 1HH2 ARG 21 1HH2 ARG 21 -4.060 2.604 -11.489 135 2HH2 ARG 21 2HH2 ARG 21 -4.343 2.656 -13.196 136 H SER 22 H SER 22 0.451 -0.978 -7.926 137 HA SER 22 HA SER 22 -0.143 -3.510 -9.034 138 1HB SER 22 1HB SER 22 0.887 -4.406 -6.948 139 2HB SER 22 2HB SER 22 1.880 -3.177 -7.732 140 HG SER 22 HG SER 22 0.945 -1.663 -6.224 141 H MET 23 H MET 23 -1.404 -1.793 -6.196 142 HA MET 23 HA MET 23 -3.020 -3.686 -5.074 143 1HB MET 23 1HB MET 23 -3.491 -0.732 -5.450 144 2HB MET 23 2HB MET 23 -4.572 -1.745 -4.503 145 1HG MET 23 1HG MET 23 -2.624 -2.382 -3.090 146 2HG MET 23 2HG MET 23 -1.664 -1.198 -3.973 147 1HE MET 23 1HE MET 23 -3.492 -2.160 -1.270 148 2HE MET 23 2HE MET 23 -2.954 -0.820 -0.257 149 3HE MET 23 3HE MET 23 -4.642 -0.922 -0.762 150 H VAL 24 H VAL 24 -3.563 -1.898 -8.039 151 HA VAL 24 HA VAL 24 -6.286 -2.688 -8.371 152 HB VAL 24 HB VAL 24 -4.301 -1.678 -10.413 153 1HG1 VAL 24 1HG1 VAL 24 -6.372 -2.994 -11.207 154 2HG1 VAL 24 2HG1 VAL 24 -7.282 -1.572 -10.692 155 3HG1 VAL 24 3HG1 VAL 24 -6.039 -1.423 -11.935 156 1HG2 VAL 24 1HG2 VAL 24 -5.140 0.479 -10.033 157 2HG2 VAL 24 2HG2 VAL 24 -6.531 -0.125 -9.133 158 3HG2 VAL 24 3HG2 VAL 24 -4.920 -0.201 -8.421 159 H LYS 25 H LYS 25 -3.191 -3.865 -9.628 160 HA LYS 25 HA LYS 25 -4.277 -5.847 -11.328 161 1HB LYS 25 1HB LYS 25 -1.867 -4.849 -11.202 162 2HB LYS 25 2HB LYS 25 -1.587 -6.130 -10.031 163 1HG LYS 25 1HG LYS 25 -2.082 -7.814 -11.650 164 2HG LYS 25 2HG LYS 25 -2.617 -6.604 -12.818 165 1HD LYS 25 1HD LYS 25 -0.328 -5.671 -12.846 166 2HD LYS 25 2HD LYS 25 0.185 -6.958 -11.752 167 1HE LYS 25 1HE LYS 25 -0.561 -8.612 -13.457 168 2HE LYS 25 2HE LYS 25 -0.890 -7.271 -14.553 169 1HZ LYS 25 1HZ LYS 25 1.321 -6.838 -14.836 170 2HZ LYS 25 2HZ LYS 25 1.382 -8.514 -14.623 171 3HZ LYS 25 3HZ LYS 25 1.772 -7.484 -13.339 172 H PHE 26 H PHE 26 -3.687 -5.723 -7.920 173 HA PHE 26 HA PHE 26 -4.704 -8.467 -7.682 174 1HB PHE 26 1HB PHE 26 -2.564 -7.434 -5.834 175 2HB PHE 26 2HB PHE 26 -3.091 -9.095 -6.083 176 HD1 PHE 26 HD1 PHE 26 -0.644 -6.695 -6.864 177 HD2 PHE 26 HD2 PHE 26 -2.707 -10.047 -8.484 178 HE1 PHE 26 HE1 PHE 26 1.170 -7.019 -8.495 179 HE2 PHE 26 HE2 PHE 26 -0.896 -10.377 -10.116 180 HZ PHE 26 HZ PHE 26 1.046 -8.862 -10.123 181 HA PRO 27 HA PRO 27 -7.225 -5.591 -5.124 182 1HB PRO 27 1HB PRO 27 -9.568 -6.867 -5.625 183 2HB PRO 27 2HB PRO 27 -8.893 -5.640 -6.704 184 1HG PRO 27 1HG PRO 27 -8.779 -8.624 -6.921 185 2HG PRO 27 2HG PRO 27 -9.088 -7.421 -8.187 186 1HD PRO 27 1HD PRO 27 -6.672 -8.598 -7.855 187 2HD PRO 27 2HD PRO 27 -6.850 -6.933 -8.446 188 H GLY 28 H GLY 28 -9.136 -6.409 -3.560 189 1HA GLY 28 1HA GLY 28 -7.844 -8.106 -1.661 190 2HA GLY 28 2HA GLY 28 -9.457 -7.424 -1.517 191 H GLY 29 H GLY 29 -8.532 -10.108 -0.838 192 1HA GLY 29 1HA GLY 29 -9.661 -12.144 -0.855 193 2HA GLY 29 2HA GLY 29 -10.634 -11.564 -2.198 194 H THR 30 H THR 30 -7.920 -10.797 -3.472 195 HA THR 30 HA THR 30 -7.714 -13.105 -5.110 196 HB THR 30 HB THR 30 -6.324 -10.488 -4.951 197 HG1 THR 30 HG1 THR 30 -6.903 -10.496 -7.139 198 1HG2 THR 30 1HG2 THR 30 -4.423 -12.019 -5.009 199 2HG2 THR 30 2HG2 THR 30 -4.602 -11.194 -6.558 200 3HG2 THR 30 3HG2 THR 30 -5.133 -12.867 -6.382 201 HA PRO 31 HA PRO 31 -4.908 -15.542 -2.731 202 1HB PRO 31 1HB PRO 31 -4.043 -17.181 -4.715 203 2HB PRO 31 2HB PRO 31 -5.645 -17.323 -3.981 204 1HG PRO 31 1HG PRO 31 -4.851 -16.015 -6.554 205 2HG PRO 31 2HG PRO 31 -6.244 -17.057 -6.212 206 1HD PRO 31 1HD PRO 31 -6.439 -14.359 -6.344 207 2HD PRO 31 2HD PRO 31 -7.456 -15.339 -5.267 208 H GLY 32 H GLY 32 -3.038 -14.693 -2.047 209 1HA GLY 32 1HA GLY 32 -0.751 -14.287 -2.109 210 2HA GLY 32 2HA GLY 32 -0.768 -14.622 -3.834 211 H ARG 33 H ARG 33 -3.037 -12.342 -2.572 212 HA ARG 33 HA ARG 33 -2.482 -10.292 -4.275 213 1HB ARG 33 1HB ARG 33 -4.435 -10.236 -2.864 214 2HB ARG 33 2HB ARG 33 -3.442 -10.129 -1.417 215 1HG ARG 33 1HG ARG 33 -2.576 -7.932 -2.383 216 2HG ARG 33 2HG ARG 33 -3.936 -8.037 -3.503 217 1HD ARG 33 1HD ARG 33 -5.370 -8.370 -1.393 218 2HD ARG 33 2HD ARG 33 -3.969 -7.755 -0.518 219 HE ARG 33 HE ARG 33 -4.582 -5.995 -2.617 220 1HH1 ARG 33 1HH1 ARG 33 -5.861 -7.075 0.435 221 2HH1 ARG 33 2HH1 ARG 33 -6.685 -5.587 0.765 222 1HH2 ARG 33 1HH2 ARG 33 -5.662 -4.031 -2.195 223 2HH2 ARG 33 2HH2 ARG 33 -6.571 -3.856 -0.732 224 H TRP 34 H TRP 34 -1.496 -10.042 -0.864 225 HA TRP 34 HA TRP 34 0.381 -8.024 -1.260 226 1HB TRP 34 1HB TRP 34 0.295 -10.139 0.902 227 2HB TRP 34 2HB TRP 34 1.282 -8.681 0.959 228 HD1 TRP 34 HD1 TRP 34 -1.742 -9.874 2.409 229 HE1 TRP 34 HE1 TRP 34 -3.373 -7.974 3.005 230 HE3 TRP 34 HE3 TRP 34 0.331 -6.121 -0.375 231 HZ2 TRP 34 HZ2 TRP 34 -3.733 -5.246 2.378 232 HZ3 TRP 34 HZ3 TRP 34 -0.718 -3.896 -0.323 233 HH2 TRP 34 HH2 TRP 34 -2.709 -3.470 1.025 234 H GLU 35 H GLU 35 0.665 -11.487 -1.602 235 HA GLU 35 HA GLU 35 3.494 -11.631 -1.617 236 1HB GLU 35 1HB GLU 35 1.255 -13.421 -2.397 237 2HB GLU 35 2HB GLU 35 2.831 -13.768 -3.094 238 1HG GLU 35 1HG GLU 35 3.781 -13.838 -0.815 239 2HG GLU 35 2HG GLU 35 2.159 -13.605 -0.166 240 H LYS 36 H LYS 36 1.104 -10.906 -4.060 241 HA LYS 36 HA LYS 36 3.009 -11.059 -6.234 242 1HB LYS 36 1HB LYS 36 0.155 -10.059 -6.169 243 2HB LYS 36 2HB LYS 36 1.123 -10.263 -7.623 244 1HG LYS 36 1HG LYS 36 0.873 -12.506 -7.641 245 2HG LYS 36 2HG LYS 36 0.866 -12.631 -5.881 246 1HD LYS 36 1HD LYS 36 -1.386 -12.274 -5.727 247 2HD LYS 36 2HD LYS 36 -1.438 -11.284 -7.188 248 1HE LYS 36 1HE LYS 36 -0.777 -13.596 -8.313 249 2HE LYS 36 2HE LYS 36 -1.573 -14.235 -6.876 250 1HZ LYS 36 1HZ LYS 36 -3.070 -13.941 -8.803 251 2HZ LYS 36 2HZ LYS 36 -2.809 -12.272 -8.728 252 3HZ LYS 36 3HZ LYS 36 -3.563 -13.069 -7.440 253 H ILE 37 H ILE 37 1.201 -8.515 -4.536 254 HA ILE 37 HA ILE 37 2.150 -6.327 -5.983 255 HB ILE 37 HB ILE 37 1.314 -6.504 -3.089 256 1HG1 ILE 37 1HG1 ILE 37 -0.176 -5.362 -5.454 257 2HG1 ILE 37 2HG1 ILE 37 -0.361 -7.028 -4.917 258 1HG2 ILE 37 1HG2 ILE 37 2.460 -4.294 -4.613 259 2HG2 ILE 37 2HG2 ILE 37 0.920 -3.905 -3.848 260 3HG2 ILE 37 3HG2 ILE 37 2.266 -4.492 -2.872 261 1HD1 ILE 37 1HD1 ILE 37 -1.567 -4.623 -3.900 262 2HD1 ILE 37 2HD1 ILE 37 -1.967 -6.310 -3.577 263 3HD1 ILE 37 3HD1 ILE 37 -0.722 -5.501 -2.626 264 H ALA 38 H ALA 38 3.562 -8.069 -3.270 265 HA ALA 38 HA ALA 38 5.653 -6.242 -2.729 266 1HB ALA 38 1HB ALA 38 4.730 -8.324 -1.390 267 2HB ALA 38 2HB ALA 38 6.049 -9.144 -2.227 268 3HB ALA 38 3HB ALA 38 6.389 -7.758 -1.191 269 H HIS 39 H HIS 39 5.570 -9.244 -4.641 270 HA HIS 39 HA HIS 39 8.248 -9.196 -5.466 271 1HB HIS 39 1HB HIS 39 7.175 -11.233 -5.827 272 2HB HIS 39 2HB HIS 39 5.758 -10.473 -6.547 273 HD1 HIS 39 HD1 HIS 39 9.210 -11.653 -7.364 274 HD2 HIS 39 HD2 HIS 39 5.946 -9.949 -9.289 275 HE1 HIS 39 HE1 HIS 39 9.691 -11.869 -9.823 276 H GLU 40 H GLU 40 5.461 -7.453 -6.586 277 HA GLU 40 HA GLU 40 6.659 -6.638 -9.076 278 1HB GLU 40 1HB GLU 40 4.156 -5.798 -7.619 279 2HB GLU 40 2HB GLU 40 4.669 -5.054 -9.127 280 1HG GLU 40 1HG GLU 40 4.164 -8.000 -8.799 281 2HG GLU 40 2HG GLU 40 2.958 -6.847 -9.370 282 H LEU 41 H LEU 41 5.921 -5.074 -5.971 283 HA LEU 41 HA LEU 41 7.136 -2.594 -6.704 284 1HB LEU 41 1HB LEU 41 6.349 -3.712 -4.018 285 2HB LEU 41 2HB LEU 41 6.909 -2.063 -4.287 286 HG LEU 41 HG LEU 41 4.356 -3.306 -5.302 287 1HD1 LEU 41 1HD1 LEU 41 5.054 -1.867 -2.932 288 2HD1 LEU 41 2HD1 LEU 41 3.497 -2.542 -3.409 289 3HD1 LEU 41 3HD1 LEU 41 3.936 -0.906 -3.900 290 1HD2 LEU 41 1HD2 LEU 41 3.932 -0.923 -6.093 291 2HD2 LEU 41 2HD2 LEU 41 5.049 -1.898 -7.050 292 3HD2 LEU 41 3HD2 LEU 41 5.672 -0.681 -5.935 293 H GLY 42 H GLY 42 8.330 -5.594 -5.604 294 1HA GLY 42 1HA GLY 42 10.592 -6.195 -5.520 295 2HA GLY 42 2HA GLY 42 11.021 -4.491 -5.487 296 H ARG 43 H ARG 43 8.575 -5.353 -3.285 297 HA ARG 43 HA ARG 43 10.549 -5.405 -1.097 298 1HB ARG 43 1HB ARG 43 7.771 -4.219 -1.156 299 2HB ARG 43 2HB ARG 43 8.734 -4.392 0.305 300 1HG ARG 43 1HG ARG 43 10.403 -2.891 -0.556 301 2HG ARG 43 2HG ARG 43 9.571 -2.802 -2.109 302 1HD ARG 43 1HD ARG 43 7.588 -1.875 -0.883 303 2HD ARG 43 2HD ARG 43 8.604 -1.782 0.555 304 HE ARG 43 HE ARG 43 8.580 0.035 -1.624 305 1HH1 ARG 43 1HH1 ARG 43 10.699 -1.481 0.685 306 2HH1 ARG 43 2HH1 ARG 43 11.857 -0.192 0.664 307 1HH2 ARG 43 1HH2 ARG 43 10.097 1.738 -1.660 308 2HH2 ARG 43 2HH2 ARG 43 11.513 1.638 -0.669 309 H SER 44 H SER 44 9.125 -6.155 1.011 310 HA SER 44 HA SER 44 8.358 -8.893 0.336 311 1HB SER 44 1HB SER 44 9.163 -7.539 2.906 312 2HB SER 44 2HB SER 44 8.442 -9.148 2.895 313 HG SER 44 HG SER 44 10.644 -9.406 2.810 314 H VAL 45 H VAL 45 6.496 -9.877 1.378 315 HA VAL 45 HA VAL 45 4.108 -8.646 0.897 316 HB VAL 45 HB VAL 45 4.693 -10.733 3.000 317 1HG1 VAL 45 1HG1 VAL 45 2.334 -9.240 2.632 318 2HG1 VAL 45 2HG1 VAL 45 2.025 -10.849 1.977 319 3HG1 VAL 45 3HG1 VAL 45 2.570 -10.664 3.644 320 1HG2 VAL 45 1HG2 VAL 45 4.126 -10.791 0.084 321 2HG2 VAL 45 2HG2 VAL 45 5.208 -11.798 1.045 322 3HG2 VAL 45 3HG2 VAL 45 3.469 -12.088 1.083 323 H THR 46 H THR 46 5.078 -9.267 4.260 324 HA THR 46 HA THR 46 3.375 -7.539 5.511 325 HB THR 46 HB THR 46 4.858 -9.115 6.705 326 HG1 THR 46 HG1 THR 46 3.872 -7.389 7.862 327 1HG2 THR 46 1HG2 THR 46 7.032 -7.049 6.475 328 2HG2 THR 46 2HG2 THR 46 6.910 -8.405 5.353 329 3HG2 THR 46 3HG2 THR 46 7.145 -8.703 7.075 330 H ASP 47 H ASP 47 6.509 -6.774 4.075 331 HA ASP 47 HA ASP 47 6.811 -4.166 4.994 332 1HB ASP 47 1HB ASP 47 7.808 -5.708 2.658 333 2HB ASP 47 2HB ASP 47 7.940 -3.953 2.567 334 H VAL 48 H VAL 48 4.949 -5.413 2.274 335 HA VAL 48 HA VAL 48 4.209 -2.796 1.328 336 HB VAL 48 HB VAL 48 2.626 -5.189 0.545 337 1HG1 VAL 48 1HG1 VAL 48 2.019 -3.753 -1.035 338 2HG1 VAL 48 2HG1 VAL 48 3.188 -2.567 -0.449 339 3HG1 VAL 48 3HG1 VAL 48 3.671 -3.766 -1.650 340 1HG2 VAL 48 1HG2 VAL 48 4.710 -5.404 -1.173 341 2HG2 VAL 48 2HG2 VAL 48 5.552 -5.001 0.323 342 3HG2 VAL 48 3HG2 VAL 48 4.495 -6.412 0.259 343 H THR 49 H THR 49 2.199 -5.509 2.485 344 HA THR 49 HA THR 49 -0.155 -4.182 2.881 345 HB THR 49 HB THR 49 -0.431 -6.415 3.282 346 HG1 THR 49 HG1 THR 49 0.038 -5.604 5.969 347 1HG2 THR 49 1HG2 THR 49 1.478 -7.571 3.480 348 2HG2 THR 49 2HG2 THR 49 1.301 -7.346 5.220 349 3HG2 THR 49 3HG2 THR 49 2.298 -6.233 4.284 350 H THR 50 H THR 50 2.468 -4.533 5.262 351 HA THR 50 HA THR 50 1.282 -3.131 7.357 352 HB THR 50 HB THR 50 4.221 -3.291 6.663 353 HG1 THR 50 HG1 THR 50 3.898 -5.305 7.223 354 1HG2 THR 50 1HG2 THR 50 2.758 -2.036 8.878 355 2HG2 THR 50 2HG2 THR 50 4.401 -1.757 8.303 356 3HG2 THR 50 3HG2 THR 50 4.062 -3.113 9.378 357 H LYS 51 H LYS 51 2.665 -1.989 4.407 358 HA LYS 51 HA LYS 51 2.928 0.744 5.359 359 1HB LYS 51 1HB LYS 51 4.626 0.097 3.839 360 2HB LYS 51 2HB LYS 51 3.466 -0.604 2.719 361 1HG LYS 51 1HG LYS 51 4.434 1.548 1.961 362 2HG LYS 51 2HG LYS 51 2.673 1.557 2.078 363 1HD LYS 51 1HD LYS 51 3.297 3.584 3.047 364 2HD LYS 51 2HD LYS 51 3.046 2.523 4.435 365 1HE LYS 51 1HE LYS 51 5.613 2.041 4.101 366 2HE LYS 51 2HE LYS 51 5.577 3.609 3.296 367 1HZ LYS 51 1HZ LYS 51 4.268 4.232 5.485 368 2HZ LYS 51 2HZ LYS 51 5.957 4.285 5.410 369 3HZ LYS 51 3HZ LYS 51 5.183 2.956 6.115 370 H ALA 52 H ALA 52 0.986 -1.039 2.973 371 HA ALA 52 HA ALA 52 -0.586 1.090 2.089 372 1HB ALA 52 1HB ALA 52 -0.945 -1.870 2.151 373 2HB ALA 52 2HB ALA 52 -2.301 -0.843 1.686 374 3HB ALA 52 3HB ALA 52 -0.795 -0.782 0.771 375 H LYS 53 H LYS 53 -1.098 -1.162 4.780 376 HA LYS 53 HA LYS 53 -3.629 -0.497 5.581 377 1HB LYS 53 1HB LYS 53 -2.947 -1.113 7.861 378 2HB LYS 53 2HB LYS 53 -2.317 -2.241 6.668 379 1HG LYS 53 1HG LYS 53 -0.450 -1.960 7.922 380 2HG LYS 53 2HG LYS 53 -0.222 -0.626 6.788 381 1HD LYS 53 1HD LYS 53 -0.710 0.967 8.355 382 2HD LYS 53 2HD LYS 53 -1.778 -0.102 9.267 383 1HE LYS 53 1HE LYS 53 0.152 -1.318 10.123 384 2HE LYS 53 2HE LYS 53 1.232 -0.295 9.177 385 1HZ LYS 53 1HZ LYS 53 -0.364 0.405 11.555 386 2HZ LYS 53 2HZ LYS 53 0.130 1.609 10.474 387 3HZ LYS 53 3HZ LYS 53 1.284 0.660 11.266 388 H GLN 54 H GLN 54 -0.685 1.358 5.997 389 HA GLN 54 HA GLN 54 -1.781 3.256 7.820 390 1HB GLN 54 1HB GLN 54 0.619 3.484 5.995 391 2HB GLN 54 2HB GLN 54 0.236 4.577 7.318 392 1HG GLN 54 1HG GLN 54 0.406 2.638 8.874 393 2HG GLN 54 2HG GLN 54 0.978 1.671 7.516 394 1HE2 GLN 54 1HE2 GLN 54 2.204 2.669 10.099 395 2HE2 GLN 54 2HE2 GLN 54 3.707 3.364 9.607 396 H LEU 55 H LEU 55 -1.477 3.069 4.321 397 HA LEU 55 HA LEU 55 -2.328 5.746 3.826 398 1HB LEU 55 1HB LEU 55 -2.462 3.399 1.946 399 2HB LEU 55 2HB LEU 55 -2.444 5.108 1.518 400 HG LEU 55 HG LEU 55 -0.120 3.837 2.929 401 1HD1 LEU 55 1HD1 LEU 55 -0.283 4.076 -0.054 402 2HD1 LEU 55 2HD1 LEU 55 -0.803 2.613 0.780 403 3HD1 LEU 55 3HD1 LEU 55 0.865 3.166 0.928 404 1HD2 LEU 55 1HD2 LEU 55 0.990 5.672 1.455 405 2HD2 LEU 55 2HD2 LEU 55 0.154 6.129 2.939 406 3HD2 LEU 55 3HD2 LEU 55 -0.641 6.338 1.378 407 H LYS 56 H LYS 56 -3.942 2.616 3.979 408 HA LYS 56 HA LYS 56 -6.452 3.432 3.005 409 1HB LYS 56 1HB LYS 56 -5.518 1.165 4.732 410 2HB LYS 56 2HB LYS 56 -7.239 1.427 4.480 411 1HG LYS 56 1HG LYS 56 -6.616 1.436 1.966 412 2HG LYS 56 2HG LYS 56 -5.138 0.637 2.509 413 1HD LYS 56 1HD LYS 56 -6.465 -1.189 2.119 414 2HD LYS 56 2HD LYS 56 -6.848 -0.887 3.816 415 1HE LYS 56 1HE LYS 56 -8.824 0.411 3.098 416 2HE LYS 56 2HE LYS 56 -8.454 0.005 1.423 417 1HZ LYS 56 1HZ LYS 56 -10.120 -1.481 2.264 418 2HZ LYS 56 2HZ LYS 56 -9.154 -1.903 3.587 419 3HZ LYS 56 3HZ LYS 56 -8.691 -2.353 2.023 420 H ASP 57 H ASP 57 -5.041 3.481 6.232 421 HA ASP 57 HA ASP 57 -7.445 4.258 7.561 422 1HB ASP 57 1HB ASP 57 -5.199 3.203 8.487 423 2HB ASP 57 2HB ASP 57 -4.760 4.895 8.702 424 H SER 58 H SER 58 -4.430 6.075 6.962 425 HA SER 58 HA SER 58 -5.673 8.584 7.535 426 1HB SER 58 1HB SER 58 -3.272 8.198 7.937 427 2HB SER 58 2HB SER 58 -3.016 8.003 6.203 428 HG SER 58 HG SER 58 -4.151 10.242 6.253 429 H VAL 59 H VAL 59 -7.341 9.039 6.173 430 HA VAL 59 HA VAL 59 -6.683 10.001 3.561 431 HB VAL 59 HB VAL 59 -6.955 7.506 3.209 432 1HG1 VAL 59 1HG1 VAL 59 -9.784 7.472 3.008 433 2HG1 VAL 59 2HG1 VAL 59 -8.742 6.472 4.022 434 3HG1 VAL 59 3HG1 VAL 59 -9.360 8.007 4.634 435 1HG2 VAL 59 1HG2 VAL 59 -9.063 8.894 1.638 436 2HG2 VAL 59 2HG2 VAL 59 -7.415 9.517 1.557 437 3HG2 VAL 59 3HG2 VAL 59 -7.751 7.849 1.093 438 H THR 60 H THR 60 -8.421 11.158 2.569 439 HA THR 60 HA THR 60 -10.548 11.870 4.478 440 HB THR 60 HB THR 60 -10.682 14.041 3.312 441 HG1 THR 60 HG1 THR 60 -9.902 13.671 1.293 442 1HG2 THR 60 1HG2 THR 60 -8.188 14.717 3.899 443 2HG2 THR 60 2HG2 THR 60 -8.177 13.108 4.622 444 3HG2 THR 60 3HG2 THR 60 -9.353 14.309 5.158 445 H CYS 61 H CYS 61 -11.994 10.257 3.781 446 HA CYS 61 HA CYS 61 -13.417 10.960 1.338 447 1HB CYS 61 1HB CYS 61 -12.171 8.270 1.866 448 2HB CYS 61 2HB CYS 61 -13.567 8.442 0.808 449 HG CYS 61 HG CYS 61 -10.402 9.604 0.329 450 H SER 62 H SER 62 -15.460 11.221 1.912 451 HA SER 62 HA SER 62 -16.544 9.540 4.076 452 1HB SER 62 1HB SER 62 -18.201 11.402 4.404 453 2HB SER 62 2HB SER 62 -16.532 11.850 4.754 454 HG SER 62 HG SER 62 -16.997 13.436 3.435 455 HA PRO 63 HA PRO 63 -18.781 8.252 0.255 456 1HB PRO 63 1HB PRO 63 -18.916 5.634 0.961 457 2HB PRO 63 2HB PRO 63 -17.519 6.335 0.137 458 1HG PRO 63 1HG PRO 63 -17.902 5.747 3.047 459 2HG PRO 63 2HG PRO 63 -16.480 5.465 2.026 460 1HD PRO 63 1HD PRO 63 -16.672 7.581 3.705 461 2HD PRO 63 2HD PRO 63 -15.788 7.659 2.168 462 H GLY 64 H GLY 64 -19.337 7.827 3.673 463 1HA GLY 64 1HA GLY 64 -22.235 7.764 3.129 464 2HA GLY 64 2HA GLY 64 -21.524 6.684 4.319 465 H MET 65 H MET 65 -23.156 9.512 3.952 466 HA MET 65 HA MET 65 -21.873 11.131 5.924 467 1HB MET 65 1HB MET 65 -23.471 11.866 4.039 468 2HB MET 65 2HB MET 65 -24.763 11.371 5.124 469 1HG MET 65 1HG MET 65 -22.647 13.398 5.803 470 2HG MET 65 2HG MET 65 -24.257 13.788 5.202 471 1HE MET 65 1HE MET 65 -24.473 15.392 7.330 472 2HE MET 65 2HE MET 65 -25.971 14.611 6.825 473 3HE MET 65 3HE MET 65 -25.572 14.728 8.539 474 H VAL 66 H VAL 66 -21.725 10.436 7.961 475 HA VAL 66 HA VAL 66 -24.144 9.316 9.222 476 HB VAL 66 HB VAL 66 -22.655 8.100 10.772 477 1HG1 VAL 66 1HG1 VAL 66 -21.999 7.439 7.908 478 2HG1 VAL 66 2HG1 VAL 66 -22.084 6.331 9.279 479 3HG1 VAL 66 3HG1 VAL 66 -23.554 7.088 8.662 480 1HG2 VAL 66 1HG2 VAL 66 -20.225 7.880 9.703 481 2HG2 VAL 66 2HG2 VAL 66 -20.585 9.534 9.208 482 3HG2 VAL 66 3HG2 VAL 66 -20.617 9.098 10.917 483 H SER 67 H SER 67 -21.252 11.295 9.700 484 HA SER 67 HA SER 67 -21.885 12.123 12.335 485 1HB SER 67 1HB SER 67 -19.614 12.250 11.182 486 2HB SER 67 2HB SER 67 -20.218 13.690 10.363 487 HG SER 67 HG SER 67 -20.617 14.566 12.480 488 H GLY 68 H GLY 68 -24.051 12.778 12.347 489 1HA GLY 68 1HA GLY 68 -25.129 14.715 10.584 490 2HA GLY 68 2HA GLY 68 -25.814 14.234 12.130 491 HA PRO 69 HA PRO 69 -24.556 18.645 12.546 492 1HB PRO 69 1HB PRO 69 -26.739 19.357 13.993 493 2HB PRO 69 2HB PRO 69 -26.728 19.322 12.226 494 1HG PRO 69 1HG PRO 69 -27.783 17.289 14.154 495 2HG PRO 69 2HG PRO 69 -28.506 17.885 12.649 496 1HD PRO 69 1HD PRO 69 -27.195 15.520 12.800 497 2HD PRO 69 2HD PRO 69 -27.197 16.519 11.332 498 H SER 70 H SER 70 -24.827 15.981 14.520 499 HA SER 70 HA SER 70 -24.542 17.282 17.070 500 1HB SER 70 1HB SER 70 -25.500 14.910 16.540 501 2HB SER 70 2HB SER 70 -23.809 14.411 16.579 502 HG SER 70 HG SER 70 -24.879 14.241 18.627 503 H SER 71 H SER 71 -22.611 16.419 18.476 504 HA SER 71 HA SER 71 -20.112 16.490 16.946 505 1HB SER 71 1HB SER 71 -20.532 18.807 17.602 506 2HB SER 71 2HB SER 71 -20.744 18.313 19.281 507 HG SER 71 HG SER 71 -18.444 18.719 17.847 508 H GLY 72 H GLY 72 -18.261 15.713 18.122 509 1HA GLY 72 1HA GLY 72 -19.047 13.820 20.238 510 2HA GLY 72 2HA GLY 72 -17.658 13.636 19.177 Start of MODEL 7 1 1H GLY 1 1H GLY 1 19.508 -17.906 7.270 2 1HA GLY 1 1HA GLY 1 19.869 -17.307 9.654 3 2HA GLY 1 2HA GLY 1 20.041 -15.907 8.605 4 H SER 2 H SER 2 19.293 -15.967 11.405 5 HA SER 2 HA SER 2 16.509 -15.586 11.718 6 1HB SER 2 1HB SER 2 18.891 -14.766 13.376 7 2HB SER 2 2HB SER 2 17.239 -14.379 13.856 8 HG SER 2 HG SER 2 18.231 -16.988 13.334 9 H SER 3 H SER 3 15.250 -13.772 11.683 10 HA SER 3 HA SER 3 15.729 -11.755 9.899 11 1HB SER 3 1HB SER 3 13.538 -12.326 11.059 12 2HB SER 3 2HB SER 3 14.097 -11.335 12.407 13 HG SER 3 HG SER 3 14.457 -9.750 10.501 14 H GLY 4 H GLY 4 16.500 -9.656 9.969 15 1HA GLY 4 1HA GLY 4 18.246 -9.078 12.272 16 2HA GLY 4 2HA GLY 4 18.494 -8.476 10.640 17 H SER 5 H SER 5 18.352 -6.329 10.756 18 HA SER 5 HA SER 5 15.842 -5.137 11.541 19 1HB SER 5 1HB SER 5 18.393 -4.394 12.994 20 2HB SER 5 2HB SER 5 16.848 -3.558 13.149 21 HG SER 5 HG SER 5 17.426 -5.262 14.763 22 H SER 6 H SER 6 15.515 -3.104 10.653 23 HA SER 6 HA SER 6 15.699 -1.529 9.015 24 1HB SER 6 1HB SER 6 18.603 -1.509 9.874 25 2HB SER 6 2HB SER 6 17.754 -0.215 9.027 26 HG SER 6 HG SER 6 16.691 -1.128 11.444 27 H GLY 7 H GLY 7 15.869 -4.180 8.091 28 1HA GLY 7 1HA GLY 7 18.055 -4.494 6.273 29 2HA GLY 7 2HA GLY 7 16.588 -5.461 6.314 30 H ALA 8 H ALA 8 14.743 -4.740 5.154 31 HA ALA 8 HA ALA 8 15.208 -3.797 2.606 32 1HB ALA 8 1HB ALA 8 12.579 -3.313 3.956 33 2HB ALA 8 2HB ALA 8 12.905 -3.786 2.289 34 3HB ALA 8 3HB ALA 8 13.128 -4.950 3.595 35 HA PRO 9 HA PRO 9 15.783 0.553 2.976 36 1HB PRO 9 1HB PRO 9 15.064 1.298 0.466 37 2HB PRO 9 2HB PRO 9 16.587 0.477 0.825 38 1HG PRO 9 1HG PRO 9 14.028 -0.659 -0.233 39 2HG PRO 9 2HG PRO 9 15.694 -0.993 -0.739 40 1HD PRO 9 1HD PRO 9 14.306 -2.652 0.890 41 2HD PRO 9 2HD PRO 9 16.066 -2.450 1.007 42 H GLU 10 H GLU 10 14.620 2.615 2.751 43 HA GLU 10 HA GLU 10 11.975 2.425 3.767 44 1HB GLU 10 1HB GLU 10 12.010 4.804 3.892 45 2HB GLU 10 2HB GLU 10 13.629 4.248 4.291 46 1HG GLU 10 1HG GLU 10 14.154 4.656 1.809 47 2HG GLU 10 2HG GLU 10 12.667 5.602 1.804 48 H TRP 11 H TRP 11 10.360 4.179 2.692 49 HA TRP 11 HA TRP 11 9.842 3.099 0.024 50 1HB TRP 11 1HB TRP 11 8.132 4.485 2.075 51 2HB TRP 11 2HB TRP 11 7.596 4.321 0.405 52 HD1 TRP 11 HD1 TRP 11 8.322 2.230 3.534 53 HE1 TRP 11 HE1 TRP 11 7.210 -0.075 3.255 54 HE3 TRP 11 HE3 TRP 11 6.794 2.650 -1.327 55 HZ2 TRP 11 HZ2 TRP 11 5.864 -1.523 1.240 56 HZ3 TRP 11 HZ3 TRP 11 5.601 0.760 -2.355 57 HH2 TRP 11 HH2 TRP 11 5.147 -1.283 -1.097 58 H THR 12 H THR 12 9.891 4.294 -1.792 59 HA THR 12 HA THR 12 10.390 7.186 -1.508 60 HB THR 12 HB THR 12 11.734 7.053 -3.590 61 HG1 THR 12 HG1 THR 12 10.999 4.357 -3.355 62 1HG2 THR 12 1HG2 THR 12 12.467 6.279 -0.996 63 2HG2 THR 12 2HG2 THR 12 13.528 6.859 -2.281 64 3HG2 THR 12 3HG2 THR 12 13.251 5.129 -2.079 65 H GLU 13 H GLU 13 9.506 8.565 -3.080 66 HA GLU 13 HA GLU 13 6.969 8.351 -3.838 67 1HB GLU 13 1HB GLU 13 9.285 9.691 -5.129 68 2HB GLU 13 2HB GLU 13 7.796 9.597 -6.059 69 1HG GLU 13 1HG GLU 13 6.629 10.928 -4.581 70 2HG GLU 13 2HG GLU 13 7.734 10.595 -3.248 71 H GLU 14 H GLU 14 9.656 6.844 -5.543 72 HA GLU 14 HA GLU 14 8.214 5.943 -7.790 73 1HB GLU 14 1HB GLU 14 10.721 6.032 -7.556 74 2HB GLU 14 2HB GLU 14 10.614 4.598 -6.545 75 1HG GLU 14 1HG GLU 14 9.931 3.250 -8.315 76 2HG GLU 14 2HG GLU 14 9.461 4.630 -9.306 77 H ASP 15 H ASP 15 9.050 4.315 -4.742 78 HA ASP 15 HA ASP 15 7.606 1.936 -5.394 79 1HB ASP 15 1HB ASP 15 9.095 2.970 -3.042 80 2HB ASP 15 2HB ASP 15 7.875 1.739 -2.728 81 H LEU 16 H LEU 16 6.879 4.907 -3.693 82 HA LEU 16 HA LEU 16 4.427 3.978 -2.549 83 1HB LEU 16 1HB LEU 16 5.775 6.623 -2.842 84 2HB LEU 16 2HB LEU 16 4.073 6.568 -2.385 85 HG LEU 16 HG LEU 16 6.233 5.138 -0.849 86 1HD1 LEU 16 1HD1 LEU 16 6.949 7.223 -0.371 87 2HD1 LEU 16 2HD1 LEU 16 5.580 7.197 0.740 88 3HD1 LEU 16 3HD1 LEU 16 5.422 7.975 -0.835 89 1HD2 LEU 16 1HD2 LEU 16 4.339 5.564 0.930 90 2HD2 LEU 16 2HD2 LEU 16 4.269 4.183 -0.165 91 3HD2 LEU 16 3HD2 LEU 16 3.318 5.630 -0.506 92 H SER 17 H SER 17 5.375 5.397 -5.573 93 HA SER 17 HA SER 17 2.663 6.062 -6.343 94 1HB SER 17 1HB SER 17 5.354 6.296 -7.657 95 2HB SER 17 2HB SER 17 3.883 6.461 -8.616 96 HG SER 17 HG SER 17 4.057 7.917 -6.243 97 H GLN 18 H GLN 18 4.970 3.487 -6.834 98 HA GLN 18 HA GLN 18 3.578 2.235 -8.989 99 1HB GLN 18 1HB GLN 18 5.808 1.430 -7.157 100 2HB GLN 18 2HB GLN 18 5.037 0.222 -8.177 101 1HG GLN 18 1HG GLN 18 5.957 2.742 -9.446 102 2HG GLN 18 2HG GLN 18 7.169 1.557 -8.961 103 1HE2 GLN 18 1HE2 GLN 18 4.232 1.986 -10.857 104 2HE2 GLN 18 2HE2 GLN 18 4.577 0.747 -12.010 105 H LEU 19 H LEU 19 3.572 1.892 -5.487 106 HA LEU 19 HA LEU 19 2.253 -0.472 -5.113 107 1HB LEU 19 1HB LEU 19 3.046 0.959 -3.298 108 2HB LEU 19 2HB LEU 19 1.762 2.115 -3.644 109 HG LEU 19 HG LEU 19 0.094 0.418 -2.993 110 1HD1 LEU 19 1HD1 LEU 19 0.839 -1.606 -1.834 111 2HD1 LEU 19 2HD1 LEU 19 2.512 -1.215 -2.230 112 3HD1 LEU 19 3HD1 LEU 19 1.365 -1.586 -3.517 113 1HD2 LEU 19 1HD2 LEU 19 2.230 1.199 -1.029 114 2HD2 LEU 19 2HD2 LEU 19 0.756 0.364 -0.538 115 3HD2 LEU 19 3HD2 LEU 19 0.658 1.951 -1.302 116 H THR 20 H THR 20 0.624 2.690 -5.414 117 HA THR 20 HA THR 20 -1.984 1.904 -5.434 118 HB THR 20 HB THR 20 -0.804 4.004 -7.263 119 HG1 THR 20 HG1 THR 20 -1.504 3.976 -4.530 120 1HG2 THR 20 1HG2 THR 20 -3.064 3.507 -7.918 121 2HG2 THR 20 2HG2 THR 20 -3.066 5.038 -7.041 122 3HG2 THR 20 3HG2 THR 20 -3.610 3.563 -6.242 123 H ARG 21 H ARG 21 0.308 1.708 -8.106 124 HA ARG 21 HA ARG 21 -1.554 0.954 -10.095 125 1HB ARG 21 1HB ARG 21 1.393 0.294 -9.960 126 2HB ARG 21 2HB ARG 21 0.383 0.275 -11.400 127 1HG ARG 21 1HG ARG 21 -0.025 2.794 -10.698 128 2HG ARG 21 2HG ARG 21 1.543 2.566 -9.922 129 1HD ARG 21 1HD ARG 21 1.901 3.425 -12.133 130 2HD ARG 21 2HD ARG 21 2.434 1.745 -12.090 131 HE ARG 21 HE ARG 21 -0.275 2.067 -12.987 132 1HH1 ARG 21 1HH1 ARG 21 3.072 2.068 -13.944 133 2HH1 ARG 21 2HH1 ARG 21 2.735 1.673 -15.597 134 1HH2 ARG 21 1HH2 ARG 21 -0.732 1.547 -15.160 135 2HH2 ARG 21 2HH2 ARG 21 0.570 1.378 -16.288 136 H SER 22 H SER 22 0.640 -0.967 -8.057 137 HA SER 22 HA SER 22 -0.106 -3.483 -9.055 138 1HB SER 22 1HB SER 22 0.849 -4.362 -6.914 139 2HB SER 22 2HB SER 22 1.918 -3.240 -7.755 140 HG SER 22 HG SER 22 1.098 -1.596 -6.324 141 H MET 23 H MET 23 -1.286 -1.655 -6.247 142 HA MET 23 HA MET 23 -3.001 -3.427 -5.095 143 1HB MET 23 1HB MET 23 -3.465 -0.483 -5.595 144 2HB MET 23 2HB MET 23 -4.423 -1.461 -4.491 145 1HG MET 23 1HG MET 23 -2.368 -1.948 -3.207 146 2HG MET 23 2HG MET 23 -1.484 -0.858 -4.274 147 1HE MET 23 1HE MET 23 -3.212 -1.571 -1.388 148 2HE MET 23 2HE MET 23 -2.552 -0.198 -0.500 149 3HE MET 23 3HE MET 23 -4.267 -0.239 -0.913 150 H VAL 24 H VAL 24 -3.492 -1.641 -8.084 151 HA VAL 24 HA VAL 24 -6.227 -2.339 -8.424 152 HB VAL 24 HB VAL 24 -4.191 -1.511 -10.497 153 1HG1 VAL 24 1HG1 VAL 24 -6.286 -2.714 -11.298 154 2HG1 VAL 24 2HG1 VAL 24 -7.180 -1.303 -10.727 155 3HG1 VAL 24 3HG1 VAL 24 -5.963 -1.125 -11.992 156 1HG2 VAL 24 1HG2 VAL 24 -4.729 0.683 -10.096 157 2HG2 VAL 24 2HG2 VAL 24 -6.313 0.289 -9.429 158 3HG2 VAL 24 3HG2 VAL 24 -4.860 0.020 -8.467 159 H LYS 25 H LYS 25 -3.188 -3.721 -9.598 160 HA LYS 25 HA LYS 25 -4.371 -5.703 -11.240 161 1HB LYS 25 1HB LYS 25 -1.925 -4.822 -11.176 162 2HB LYS 25 2HB LYS 25 -1.690 -6.041 -9.930 163 1HG LYS 25 1HG LYS 25 -2.404 -7.778 -11.493 164 2HG LYS 25 2HG LYS 25 -2.638 -6.554 -12.743 165 1HD LYS 25 1HD LYS 25 -0.150 -5.958 -12.224 166 2HD LYS 25 2HD LYS 25 -0.101 -7.586 -11.545 167 1HE LYS 25 1HE LYS 25 0.604 -7.761 -13.804 168 2HE LYS 25 2HE LYS 25 -1.033 -8.411 -13.729 169 1HZ LYS 25 1HZ LYS 25 -1.482 -5.823 -14.287 170 2HZ LYS 25 2HZ LYS 25 -1.389 -7.048 -15.450 171 3HZ LYS 25 3HZ LYS 25 -0.035 -6.088 -15.123 172 H PHE 26 H PHE 26 -3.748 -5.491 -7.839 173 HA PHE 26 HA PHE 26 -4.908 -8.166 -7.499 174 1HB PHE 26 1HB PHE 26 -2.714 -7.203 -5.683 175 2HB PHE 26 2HB PHE 26 -3.308 -8.843 -5.921 176 HD1 PHE 26 HD1 PHE 26 -0.758 -6.559 -6.706 177 HD2 PHE 26 HD2 PHE 26 -2.967 -9.818 -8.324 178 HE1 PHE 26 HE1 PHE 26 1.043 -6.969 -8.332 179 HE2 PHE 26 HE2 PHE 26 -1.169 -10.234 -9.951 180 HZ PHE 26 HZ PHE 26 0.840 -8.809 -9.956 181 HA PRO 27 HA PRO 27 -7.248 -5.079 -5.020 182 1HB PRO 27 1HB PRO 27 -9.658 -6.253 -5.447 183 2HB PRO 27 2HB PRO 27 -8.936 -5.102 -6.578 184 1HG PRO 27 1HG PRO 27 -8.973 -8.094 -6.684 185 2HG PRO 27 2HG PRO 27 -9.239 -6.924 -7.991 186 1HD PRO 27 1HD PRO 27 -6.880 -8.207 -7.641 187 2HD PRO 27 2HD PRO 27 -6.983 -6.559 -8.292 188 H GLY 28 H GLY 28 -9.213 -5.774 -3.431 189 1HA GLY 28 1HA GLY 28 -7.972 -7.443 -1.469 190 2HA GLY 28 2HA GLY 28 -9.554 -6.689 -1.343 191 H GLY 29 H GLY 29 -8.706 -9.395 -0.591 192 1HA GLY 29 1HA GLY 29 -9.937 -11.374 -0.518 193 2HA GLY 29 2HA GLY 29 -10.883 -10.807 -1.886 194 H THR 30 H THR 30 -8.244 -10.197 -3.281 195 HA THR 30 HA THR 30 -8.103 -12.566 -4.798 196 HB THR 30 HB THR 30 -6.577 -10.022 -4.716 197 HG1 THR 30 HG1 THR 30 -7.933 -9.891 -6.341 198 1HG2 THR 30 1HG2 THR 30 -5.523 -12.500 -6.086 199 2HG2 THR 30 2HG2 THR 30 -4.764 -11.656 -4.736 200 3HG2 THR 30 3HG2 THR 30 -4.903 -10.865 -6.305 201 HA PRO 31 HA PRO 31 -5.424 -15.065 -2.336 202 1HB PRO 31 1HB PRO 31 -4.648 -16.811 -4.265 203 2HB PRO 31 2HB PRO 31 -6.254 -16.846 -3.527 204 1HG PRO 31 1HG PRO 31 -5.397 -15.666 -6.141 205 2HG PRO 31 2HG PRO 31 -6.842 -16.623 -5.766 206 1HD PRO 31 1HD PRO 31 -6.898 -13.925 -5.987 207 2HD PRO 31 2HD PRO 31 -7.963 -14.815 -4.879 208 H GLY 32 H GLY 32 -3.527 -14.247 -1.684 209 1HA GLY 32 1HA GLY 32 -1.215 -13.981 -1.759 210 2HA GLY 32 2HA GLY 32 -1.253 -14.363 -3.474 211 H ARG 33 H ARG 33 -3.395 -11.935 -2.257 212 HA ARG 33 HA ARG 33 -2.780 -9.962 -4.018 213 1HB ARG 33 1HB ARG 33 -4.672 -9.785 -2.516 214 2HB ARG 33 2HB ARG 33 -3.601 -9.639 -1.129 215 1HG ARG 33 1HG ARG 33 -2.704 -7.538 -2.310 216 2HG ARG 33 2HG ARG 33 -4.174 -7.643 -3.281 217 1HD ARG 33 1HD ARG 33 -5.389 -7.806 -1.012 218 2HD ARG 33 2HD ARG 33 -3.885 -7.185 -0.333 219 HE ARG 33 HE ARG 33 -4.850 -5.606 -2.516 220 1HH1 ARG 33 1HH1 ARG 33 -5.164 -6.206 0.899 221 2HH1 ARG 33 2HH1 ARG 33 -5.752 -4.615 1.257 222 1HH2 ARG 33 1HH2 ARG 33 -5.623 -3.509 -2.057 223 2HH2 ARG 33 2HH2 ARG 33 -6.013 -3.083 -0.426 224 H TRP 34 H TRP 34 -1.666 -9.655 -0.653 225 HA TRP 34 HA TRP 34 0.306 -7.765 -1.174 226 1HB TRP 34 1HB TRP 34 0.198 -9.816 1.048 227 2HB TRP 34 2HB TRP 34 1.249 -8.403 1.029 228 HD1 TRP 34 HD1 TRP 34 -1.777 -9.424 2.610 229 HE1 TRP 34 HE1 TRP 34 -3.296 -7.436 3.215 230 HE3 TRP 34 HE3 TRP 34 0.376 -5.833 -0.325 231 HZ2 TRP 34 HZ2 TRP 34 -3.549 -4.708 2.538 232 HZ3 TRP 34 HZ3 TRP 34 -0.566 -3.560 -0.289 233 HH2 TRP 34 HH2 TRP 34 -2.487 -3.011 1.114 234 H GLU 35 H GLU 35 0.413 -11.261 -1.358 235 HA GLU 35 HA GLU 35 3.214 -11.562 -1.487 236 1HB GLU 35 1HB GLU 35 0.854 -13.234 -2.164 237 2HB GLU 35 2HB GLU 35 2.387 -13.687 -2.896 238 1HG GLU 35 1HG GLU 35 3.395 -13.757 -0.639 239 2HG GLU 35 2HG GLU 35 1.803 -13.430 0.044 240 H LYS 36 H LYS 36 0.795 -10.771 -3.885 241 HA LYS 36 HA LYS 36 2.625 -11.074 -6.104 242 1HB LYS 36 1HB LYS 36 -0.157 -9.891 -5.997 243 2HB LYS 36 2HB LYS 36 0.753 -10.223 -7.465 244 1HG LYS 36 1HG LYS 36 0.339 -12.438 -7.385 245 2HG LYS 36 2HG LYS 36 0.392 -12.496 -5.621 246 1HD LYS 36 1HD LYS 36 -1.823 -11.937 -5.402 247 2HD LYS 36 2HD LYS 36 -1.865 -11.060 -6.933 248 1HE LYS 36 1HE LYS 36 -1.529 -14.044 -6.797 249 2HE LYS 36 2HE LYS 36 -3.117 -13.278 -6.825 250 1HZ LYS 36 1HZ LYS 36 -1.491 -13.887 -8.990 251 2HZ LYS 36 2HZ LYS 36 -1.508 -12.199 -8.873 252 3HZ LYS 36 3HZ LYS 36 -2.962 -13.052 -9.008 253 H ILE 37 H ILE 37 1.051 -8.403 -4.377 254 HA ILE 37 HA ILE 37 2.070 -6.301 -5.914 255 HB ILE 37 HB ILE 37 1.308 -6.368 -2.996 256 1HG1 ILE 37 1HG1 ILE 37 -0.175 -5.213 -5.361 257 2HG1 ILE 37 2HG1 ILE 37 -0.455 -6.835 -4.739 258 1HG2 ILE 37 1HG2 ILE 37 2.443 -4.217 -4.659 259 2HG2 ILE 37 2HG2 ILE 37 1.041 -3.780 -3.684 260 3HG2 ILE 37 3HG2 ILE 37 2.480 -4.442 -2.911 261 1HD1 ILE 37 1HD1 ILE 37 -1.466 -4.308 -3.809 262 2HD1 ILE 37 2HD1 ILE 37 -1.968 -5.947 -3.392 263 3HD1 ILE 37 3HD1 ILE 37 -0.644 -5.180 -2.516 264 H ALA 38 H ALA 38 3.442 -8.040 -3.173 265 HA ALA 38 HA ALA 38 5.654 -6.338 -2.742 266 1HB ALA 38 1HB ALA 38 5.949 -9.229 -2.172 267 2HB ALA 38 2HB ALA 38 6.298 -7.830 -1.157 268 3HB ALA 38 3HB ALA 38 4.634 -8.377 -1.362 269 H HIS 39 H HIS 39 5.343 -9.373 -4.577 270 HA HIS 39 HA HIS 39 7.999 -9.493 -5.472 271 1HB HIS 39 1HB HIS 39 6.605 -11.443 -5.633 272 2HB HIS 39 2HB HIS 39 5.452 -10.599 -6.662 273 HD1 HIS 39 HD1 HIS 39 5.716 -12.304 -8.569 274 HD2 HIS 39 HD2 HIS 39 9.253 -10.397 -7.516 275 HE1 HIS 39 HE1 HIS 39 7.346 -12.851 -10.404 276 H GLU 40 H GLU 40 5.317 -7.574 -6.502 277 HA GLU 40 HA GLU 40 6.486 -6.910 -9.066 278 1HB GLU 40 1HB GLU 40 4.009 -6.034 -7.602 279 2HB GLU 40 2HB GLU 40 4.545 -5.210 -9.059 280 1HG GLU 40 1HG GLU 40 3.929 -8.149 -8.873 281 2HG GLU 40 2HG GLU 40 2.825 -6.917 -9.483 282 H LEU 41 H LEU 41 5.833 -5.236 -5.999 283 HA LEU 41 HA LEU 41 7.114 -2.817 -6.803 284 1HB LEU 41 1HB LEU 41 6.307 -3.875 -4.101 285 2HB LEU 41 2HB LEU 41 6.987 -2.270 -4.361 286 HG LEU 41 HG LEU 41 4.329 -3.322 -5.309 287 1HD1 LEU 41 1HD1 LEU 41 5.210 -1.836 -3.033 288 2HD1 LEU 41 2HD1 LEU 41 3.587 -2.389 -3.442 289 3HD1 LEU 41 3HD1 LEU 41 4.157 -0.825 -4.024 290 1HD2 LEU 41 1HD2 LEU 41 5.812 -0.821 -6.082 291 2HD2 LEU 41 2HD2 LEU 41 4.064 -0.991 -6.245 292 3HD2 LEU 41 3HD2 LEU 41 5.142 -2.064 -7.139 293 H GLY 42 H GLY 42 8.188 -5.802 -5.420 294 1HA GLY 42 1HA GLY 42 10.435 -6.505 -5.400 295 2HA GLY 42 2HA GLY 42 10.939 -4.826 -5.521 296 H ARG 43 H ARG 43 8.539 -5.688 -3.184 297 HA ARG 43 HA ARG 43 10.570 -5.506 -1.056 298 1HB ARG 43 1HB ARG 43 7.780 -4.343 -1.096 299 2HB ARG 43 2HB ARG 43 8.810 -4.394 0.328 300 1HG ARG 43 1HG ARG 43 10.397 -2.923 -0.678 301 2HG ARG 43 2HG ARG 43 9.566 -3.009 -2.232 302 1HD ARG 43 1HD ARG 43 7.593 -1.952 -1.207 303 2HD ARG 43 2HD ARG 43 8.471 -1.825 0.316 304 HE ARG 43 HE ARG 43 8.674 -0.077 -1.906 305 1HH1 ARG 43 1HH1 ARG 43 10.555 -1.551 0.624 306 2HH1 ARG 43 2HH1 ARG 43 11.732 -0.280 0.670 307 1HH2 ARG 43 1HH2 ARG 43 10.216 1.604 -1.856 308 2HH2 ARG 43 2HH2 ARG 43 11.537 1.515 -0.741 309 H SER 44 H SER 44 9.295 -6.156 1.138 310 HA SER 44 HA SER 44 8.513 -8.924 0.675 311 1HB SER 44 1HB SER 44 9.418 -7.363 3.075 312 2HB SER 44 2HB SER 44 8.590 -8.906 3.287 313 HG SER 44 HG SER 44 11.060 -8.741 2.996 314 H VAL 45 H VAL 45 6.576 -9.821 1.307 315 HA VAL 45 HA VAL 45 4.226 -8.600 0.948 316 HB VAL 45 HB VAL 45 4.811 -10.719 3.016 317 1HG1 VAL 45 1HG1 VAL 45 2.468 -11.170 3.153 318 2HG1 VAL 45 2HG1 VAL 45 2.707 -9.455 3.491 319 3HG1 VAL 45 3HG1 VAL 45 2.109 -9.969 1.913 320 1HG2 VAL 45 1HG2 VAL 45 4.165 -10.704 0.119 321 2HG2 VAL 45 2HG2 VAL 45 5.244 -11.758 1.033 322 3HG2 VAL 45 3HG2 VAL 45 3.499 -12.006 1.104 323 H THR 46 H THR 46 5.212 -9.208 4.314 324 HA THR 46 HA THR 46 3.480 -7.515 5.573 325 HB THR 46 HB THR 46 4.847 -8.967 6.893 326 HG1 THR 46 HG1 THR 46 4.949 -7.568 8.487 327 1HG2 THR 46 1HG2 THR 46 7.199 -7.337 5.927 328 2HG2 THR 46 2HG2 THR 46 6.849 -9.018 5.523 329 3HG2 THR 46 3HG2 THR 46 7.272 -8.578 7.178 330 H ASP 47 H ASP 47 6.635 -6.686 4.195 331 HA ASP 47 HA ASP 47 6.866 -4.073 5.081 332 1HB ASP 47 1HB ASP 47 8.448 -5.586 3.608 333 2HB ASP 47 2HB ASP 47 7.669 -4.735 2.277 334 H VAL 48 H VAL 48 5.098 -5.336 2.293 335 HA VAL 48 HA VAL 48 4.304 -2.766 1.329 336 HB VAL 48 HB VAL 48 2.688 -5.168 0.656 337 1HG1 VAL 48 1HG1 VAL 48 3.150 -2.592 -0.400 338 2HG1 VAL 48 2HG1 VAL 48 3.783 -3.754 -1.567 339 3HG1 VAL 48 3HG1 VAL 48 2.103 -3.859 -1.037 340 1HG2 VAL 48 1HG2 VAL 48 5.617 -4.982 0.320 341 2HG2 VAL 48 2HG2 VAL 48 4.576 -6.400 0.442 342 3HG2 VAL 48 3HG2 VAL 48 4.698 -5.525 -1.084 343 H THR 49 H THR 49 2.283 -5.419 2.593 344 HA THR 49 HA THR 49 -0.044 -4.044 2.996 345 HB THR 49 HB THR 49 -0.325 -6.278 3.430 346 HG1 THR 49 HG1 THR 49 0.095 -5.748 6.140 347 1HG2 THR 49 1HG2 THR 49 1.811 -7.163 3.544 348 2HG2 THR 49 2HG2 THR 49 1.225 -7.437 5.185 349 3HG2 THR 49 3HG2 THR 49 2.301 -6.082 4.847 350 H THR 50 H THR 50 2.733 -4.222 5.182 351 HA THR 50 HA THR 50 1.608 -2.866 7.360 352 HB THR 50 HB THR 50 4.493 -2.973 6.460 353 HG1 THR 50 HG1 THR 50 2.827 -4.620 7.996 354 1HG2 THR 50 1HG2 THR 50 4.544 -2.619 9.163 355 2HG2 THR 50 2HG2 THR 50 3.186 -1.594 8.698 356 3HG2 THR 50 3HG2 THR 50 4.775 -1.335 7.978 357 H LYS 51 H LYS 51 2.894 -1.708 4.342 358 HA LYS 51 HA LYS 51 3.020 1.047 5.238 359 1HB LYS 51 1HB LYS 51 4.705 0.459 3.682 360 2HB LYS 51 2HB LYS 51 3.551 -0.317 2.606 361 1HG LYS 51 1HG LYS 51 4.332 1.820 1.721 362 2HG LYS 51 2HG LYS 51 2.595 1.836 2.033 363 1HD LYS 51 1HD LYS 51 3.238 3.861 2.927 364 2HD LYS 51 2HD LYS 51 3.312 2.815 4.347 365 1HE LYS 51 1HE LYS 51 5.629 2.749 4.335 366 2HE LYS 51 2HE LYS 51 5.733 3.191 2.632 367 1HZ LYS 51 1HZ LYS 51 4.953 4.986 4.865 368 2HZ LYS 51 2HZ LYS 51 4.958 5.423 3.232 369 3HZ LYS 51 3HZ LYS 51 6.410 5.030 4.007 370 H ALA 52 H ALA 52 1.118 -0.849 2.903 371 HA ALA 52 HA ALA 52 -0.589 1.200 2.069 372 1HB ALA 52 1HB ALA 52 -2.195 -0.836 1.682 373 2HB ALA 52 2HB ALA 52 -0.725 -0.654 0.724 374 3HB ALA 52 3HB ALA 52 -0.757 -1.775 2.084 375 H LYS 53 H LYS 53 -0.927 -1.124 4.727 376 HA LYS 53 HA LYS 53 -3.475 -0.608 5.583 377 1HB LYS 53 1HB LYS 53 -2.647 -1.145 7.885 378 2HB LYS 53 2HB LYS 53 -2.174 -2.310 6.655 379 1HG LYS 53 1HG LYS 53 -0.194 -2.081 7.743 380 2HG LYS 53 2HG LYS 53 -0.016 -0.795 6.547 381 1HD LYS 53 1HD LYS 53 0.600 0.238 8.540 382 2HD LYS 53 2HD LYS 53 -1.087 0.718 8.341 383 1HE LYS 53 1HE LYS 53 -1.718 -1.194 9.822 384 2HE LYS 53 2HE LYS 53 -0.001 -1.459 10.121 385 1HZ LYS 53 1HZ LYS 53 0.134 0.331 11.454 386 2HZ LYS 53 2HZ LYS 53 -1.529 0.088 11.643 387 3HZ LYS 53 3HZ LYS 53 -0.962 1.248 10.549 388 H GLN 54 H GLN 54 -0.623 1.386 5.994 389 HA GLN 54 HA GLN 54 -1.769 3.185 7.879 390 1HB GLN 54 1HB GLN 54 0.567 3.537 5.995 391 2HB GLN 54 2HB GLN 54 0.149 4.648 7.292 392 1HG GLN 54 1HG GLN 54 0.370 2.609 8.834 393 2HG GLN 54 2HG GLN 54 1.210 1.858 7.479 394 1HE2 GLN 54 1HE2 GLN 54 2.987 3.236 6.531 395 2HE2 GLN 54 2HE2 GLN 54 4.010 4.059 7.653 396 H LEU 55 H LEU 55 -1.645 3.038 4.379 397 HA LEU 55 HA LEU 55 -2.597 5.687 3.932 398 1HB LEU 55 1HB LEU 55 -2.790 3.322 2.079 399 2HB LEU 55 2HB LEU 55 -2.862 5.026 1.639 400 HG LEU 55 HG LEU 55 -0.425 3.646 2.762 401 1HD1 LEU 55 1HD1 LEU 55 -1.532 3.587 0.132 402 2HD1 LEU 55 2HD1 LEU 55 -0.044 2.854 0.729 403 3HD1 LEU 55 3HD1 LEU 55 -0.026 4.505 0.109 404 1HD2 LEU 55 1HD2 LEU 55 -0.595 6.074 3.204 405 2HD2 LEU 55 2HD2 LEU 55 -0.729 6.353 1.467 406 3HD2 LEU 55 3HD2 LEU 55 0.747 5.657 2.137 407 H LYS 56 H LYS 56 -4.130 2.506 4.106 408 HA LYS 56 HA LYS 56 -6.704 3.220 3.310 409 1HB LYS 56 1HB LYS 56 -5.915 0.892 3.642 410 2HB LYS 56 2HB LYS 56 -5.937 1.153 5.381 411 1HG LYS 56 1HG LYS 56 -8.247 1.196 5.478 412 2HG LYS 56 2HG LYS 56 -8.413 1.589 3.765 413 1HD LYS 56 1HD LYS 56 -7.214 -1.019 4.624 414 2HD LYS 56 2HD LYS 56 -8.966 -0.811 4.567 415 1HE LYS 56 1HE LYS 56 -8.883 -0.277 2.229 416 2HE LYS 56 2HE LYS 56 -7.121 -0.250 2.251 417 1HZ LYS 56 1HZ LYS 56 -8.224 -2.727 3.190 418 2HZ LYS 56 2HZ LYS 56 -7.024 -2.451 2.032 419 3HZ LYS 56 3HZ LYS 56 -8.655 -2.384 1.591 420 H ASP 57 H ASP 57 -5.218 3.288 6.527 421 HA ASP 57 HA ASP 57 -7.532 4.107 7.924 422 1HB ASP 57 1HB ASP 57 -4.614 4.014 8.497 423 2HB ASP 57 2HB ASP 57 -5.604 5.055 9.516 424 H SER 58 H SER 58 -4.878 5.909 6.434 425 HA SER 58 HA SER 58 -5.130 8.428 7.263 426 1HB SER 58 1HB SER 58 -3.795 7.525 5.254 427 2HB SER 58 2HB SER 58 -5.224 7.912 4.295 428 HG SER 58 HG SER 58 -4.098 9.746 4.203 429 H VAL 59 H VAL 59 -7.106 7.381 4.484 430 HA VAL 59 HA VAL 59 -8.863 9.529 4.498 431 HB VAL 59 HB VAL 59 -10.401 8.134 3.205 432 1HG1 VAL 59 1HG1 VAL 59 -8.813 7.444 1.411 433 2HG1 VAL 59 2HG1 VAL 59 -8.561 9.087 2.003 434 3HG1 VAL 59 3HG1 VAL 59 -7.486 7.787 2.520 435 1HG2 VAL 59 1HG2 VAL 59 -10.083 6.083 4.597 436 2HG2 VAL 59 2HG2 VAL 59 -10.051 5.793 2.858 437 3HG2 VAL 59 3HG2 VAL 59 -8.544 5.829 3.774 438 H THR 60 H THR 60 -11.339 9.162 4.829 439 HA THR 60 HA THR 60 -11.698 8.112 7.558 440 HB THR 60 HB THR 60 -12.001 10.574 7.311 441 HG1 THR 60 HG1 THR 60 -14.340 9.082 7.978 442 1HG2 THR 60 1HG2 THR 60 -13.151 11.402 5.593 443 2HG2 THR 60 2HG2 THR 60 -14.608 10.608 6.191 444 3HG2 THR 60 3HG2 THR 60 -13.548 9.769 5.059 445 H CYS 61 H CYS 61 -11.891 6.364 5.391 446 HA CYS 61 HA CYS 61 -14.180 5.893 4.082 447 1HB CYS 61 1HB CYS 61 -12.238 4.344 4.156 448 2HB CYS 61 2HB CYS 61 -12.777 3.784 5.734 449 HG CYS 61 HG CYS 61 -14.802 2.292 4.933 450 H SER 62 H SER 62 -13.705 4.889 7.472 451 HA SER 62 HA SER 62 -16.608 5.162 7.863 452 1HB SER 62 1HB SER 62 -16.508 3.164 9.373 453 2HB SER 62 2HB SER 62 -16.195 2.789 7.678 454 HG SER 62 HG SER 62 -14.004 3.402 9.289 455 HA PRO 63 HA PRO 63 -15.505 7.634 11.332 456 1HB PRO 63 1HB PRO 63 -17.795 7.409 12.772 457 2HB PRO 63 2HB PRO 63 -17.678 8.380 11.300 458 1HG PRO 63 1HG PRO 63 -18.771 5.617 11.665 459 2HG PRO 63 2HG PRO 63 -19.425 6.963 10.712 460 1HD PRO 63 1HD PRO 63 -18.040 4.923 9.592 461 2HD PRO 63 2HD PRO 63 -17.991 6.577 8.949 462 H GLY 64 H GLY 64 -13.867 6.531 12.388 463 1HA GLY 64 1HA GLY 64 -14.450 5.431 14.911 464 2HA GLY 64 2HA GLY 64 -14.138 4.117 13.787 465 H MET 65 H MET 65 -12.730 7.238 14.780 466 HA MET 65 HA MET 65 -10.257 6.123 15.528 467 1HB MET 65 1HB MET 65 -10.351 6.024 12.884 468 2HB MET 65 2HB MET 65 -9.893 7.716 13.030 469 1HG MET 65 1HG MET 65 -7.939 7.053 14.362 470 2HG MET 65 2HG MET 65 -8.389 5.363 14.150 471 1HE MET 65 1HE MET 65 -5.253 7.038 12.323 472 2HE MET 65 2HE MET 65 -5.817 6.296 13.820 473 3HE MET 65 3HE MET 65 -5.378 5.282 12.444 474 H VAL 66 H VAL 66 -9.006 7.593 16.613 475 HA VAL 66 HA VAL 66 -9.905 10.400 16.542 476 HB VAL 66 HB VAL 66 -10.648 9.236 18.608 477 1HG1 VAL 66 1HG1 VAL 66 -8.222 9.168 20.055 478 2HG1 VAL 66 2HG1 VAL 66 -9.286 7.822 19.644 479 3HG1 VAL 66 3HG1 VAL 66 -7.966 8.267 18.561 480 1HG2 VAL 66 1HG2 VAL 66 -8.655 11.098 19.682 481 2HG2 VAL 66 2HG2 VAL 66 -9.597 11.734 18.334 482 3HG2 VAL 66 3HG2 VAL 66 -10.416 11.139 19.778 483 H SER 67 H SER 67 -8.342 11.987 16.730 484 HA SER 67 HA SER 67 -5.545 11.130 16.924 485 1HB SER 67 1HB SER 67 -4.980 12.653 15.009 486 2HB SER 67 2HB SER 67 -5.928 11.240 14.547 487 HG SER 67 HG SER 67 -7.798 12.630 14.674 488 H GLY 68 H GLY 68 -4.062 13.085 17.094 489 1HA GLY 68 1HA GLY 68 -4.887 15.638 17.760 490 2HA GLY 68 2HA GLY 68 -4.975 14.710 19.249 491 HA PRO 69 HA PRO 69 -0.334 14.890 17.802 492 1HB PRO 69 1HB PRO 69 0.242 16.938 16.116 493 2HB PRO 69 2HB PRO 69 -0.203 15.324 15.550 494 1HG PRO 69 1HG PRO 69 -1.897 17.780 15.792 495 2HG PRO 69 2HG PRO 69 -1.830 16.593 14.477 496 1HD PRO 69 1HD PRO 69 -3.779 16.575 16.357 497 2HD PRO 69 2HD PRO 69 -3.173 15.090 15.595 498 H SER 70 H SER 70 1.423 16.619 18.170 499 HA SER 70 HA SER 70 0.425 18.883 19.739 500 1HB SER 70 1HB SER 70 0.780 17.307 21.469 501 2HB SER 70 2HB SER 70 2.268 16.712 20.732 502 HG SER 70 HG SER 70 2.165 19.408 21.432 503 H SER 71 H SER 71 1.541 20.703 19.401 504 HA SER 71 HA SER 71 4.324 20.771 18.807 505 1HB SER 71 1HB SER 71 4.131 21.702 16.512 506 2HB SER 71 2HB SER 71 3.589 20.027 16.609 507 HG SER 71 HG SER 71 1.432 21.263 17.033 508 H GLY 72 H GLY 72 4.881 22.500 19.949 509 1HA GLY 72 1HA GLY 72 3.123 24.873 19.831 510 2HA GLY 72 2HA GLY 72 4.084 24.434 21.235 Start of MODEL 8 1 1H GLY 1 1H GLY 1 30.972 -7.719 8.705 2 1HA GLY 1 1HA GLY 1 32.765 -8.239 6.422 3 2HA GLY 1 2HA GLY 1 32.578 -9.294 7.815 4 H SER 2 H SER 2 30.995 -10.825 7.827 5 HA SER 2 HA SER 2 29.703 -11.332 5.278 6 1HB SER 2 1HB SER 2 29.035 -13.491 6.353 7 2HB SER 2 2HB SER 2 30.778 -13.217 6.347 8 HG SER 2 HG SER 2 29.863 -12.156 8.570 9 H SER 3 H SER 3 28.006 -9.942 5.057 10 HA SER 3 HA SER 3 26.180 -9.354 7.169 11 1HB SER 3 1HB SER 3 26.699 -7.881 5.156 12 2HB SER 3 2HB SER 3 25.665 -8.961 4.219 13 HG SER 3 HG SER 3 24.019 -7.938 5.004 14 H GLY 4 H GLY 4 25.390 -11.329 7.930 15 1HA GLY 4 1HA GLY 4 24.399 -13.462 6.509 16 2HA GLY 4 2HA GLY 4 23.776 -12.961 8.074 17 H SER 5 H SER 5 22.009 -11.453 8.132 18 HA SER 5 HA SER 5 20.391 -11.535 5.669 19 1HB SER 5 1HB SER 5 19.444 -12.895 7.491 20 2HB SER 5 2HB SER 5 19.438 -11.480 8.544 21 HG SER 5 HG SER 5 17.455 -12.156 7.189 22 H SER 6 H SER 6 20.004 -9.643 4.748 23 HA SER 6 HA SER 6 20.580 -7.190 6.204 24 1HB SER 6 1HB SER 6 20.289 -6.108 3.970 25 2HB SER 6 2HB SER 6 21.522 -7.368 3.981 26 HG SER 6 HG SER 6 19.696 -7.253 2.267 27 H GLY 7 H GLY 7 19.041 -5.283 5.506 28 1HA GLY 7 1HA GLY 7 16.296 -6.196 6.099 29 2HA GLY 7 2HA GLY 7 16.965 -4.660 6.628 30 H ALA 8 H ALA 8 14.754 -4.155 5.553 31 HA ALA 8 HA ALA 8 15.105 -3.757 2.662 32 1HB ALA 8 1HB ALA 8 13.022 -4.535 2.586 33 2HB ALA 8 2HB ALA 8 12.832 -4.401 4.334 34 3HB ALA 8 3HB ALA 8 12.513 -3.006 3.304 35 HA PRO 9 HA PRO 9 15.756 0.561 3.224 36 1HB PRO 9 1HB PRO 9 14.971 1.436 0.776 37 2HB PRO 9 2HB PRO 9 16.494 0.579 1.048 38 1HG PRO 9 1HG PRO 9 13.887 -0.472 0.018 39 2HG PRO 9 2HG PRO 9 15.532 -0.803 -0.556 40 1HD PRO 9 1HD PRO 9 14.171 -2.520 1.035 41 2HD PRO 9 2HD PRO 9 15.936 -2.347 1.107 42 H GLU 10 H GLU 10 14.506 2.698 2.564 43 HA GLU 10 HA GLU 10 11.941 2.518 3.881 44 1HB GLU 10 1HB GLU 10 11.953 4.981 3.739 45 2HB GLU 10 2HB GLU 10 13.427 4.349 4.460 46 1HG GLU 10 1HG GLU 10 14.701 4.826 2.560 47 2HG GLU 10 2HG GLU 10 13.273 5.022 1.545 48 H TRP 11 H TRP 11 10.288 4.260 2.842 49 HA TRP 11 HA TRP 11 9.684 3.154 0.199 50 1HB TRP 11 1HB TRP 11 8.022 4.484 2.323 51 2HB TRP 11 2HB TRP 11 7.428 4.338 0.672 52 HD1 TRP 11 HD1 TRP 11 8.205 2.249 3.771 53 HE1 TRP 11 HE1 TRP 11 7.161 -0.086 3.477 54 HE3 TRP 11 HE3 TRP 11 6.730 2.627 -1.109 55 HZ2 TRP 11 HZ2 TRP 11 5.882 -1.571 1.446 56 HZ3 TRP 11 HZ3 TRP 11 5.603 0.704 -2.153 57 HH2 TRP 11 HH2 TRP 11 5.190 -1.350 -0.900 58 H THR 12 H THR 12 9.746 4.339 -1.609 59 HA THR 12 HA THR 12 10.141 7.248 -1.334 60 HB THR 12 HB THR 12 11.510 7.206 -3.349 61 HG1 THR 12 HG1 THR 12 10.526 5.359 -4.335 62 1HG2 THR 12 1HG2 THR 12 12.271 6.289 -0.871 63 2HG2 THR 12 2HG2 THR 12 13.365 6.706 -2.191 64 3HG2 THR 12 3HG2 THR 12 12.868 5.031 -1.952 65 H GLU 13 H GLU 13 9.222 8.599 -2.928 66 HA GLU 13 HA GLU 13 6.663 8.317 -3.623 67 1HB GLU 13 1HB GLU 13 8.919 9.724 -4.949 68 2HB GLU 13 2HB GLU 13 7.422 9.585 -5.859 69 1HG GLU 13 1HG GLU 13 6.242 10.899 -4.387 70 2HG GLU 13 2HG GLU 13 7.340 10.569 -3.048 71 H GLU 14 H GLU 14 9.364 6.937 -5.429 72 HA GLU 14 HA GLU 14 7.880 5.972 -7.619 73 1HB GLU 14 1HB GLU 14 10.372 6.184 -7.524 74 2HB GLU 14 2HB GLU 14 10.405 4.780 -6.466 75 1HG GLU 14 1HG GLU 14 9.420 3.416 -8.227 76 2HG GLU 14 2HG GLU 14 9.360 4.822 -9.288 77 H ASP 15 H ASP 15 8.847 4.431 -4.572 78 HA ASP 15 HA ASP 15 7.545 1.956 -5.187 79 1HB ASP 15 1HB ASP 15 9.019 3.095 -2.876 80 2HB ASP 15 2HB ASP 15 7.873 1.804 -2.523 81 H LEU 16 H LEU 16 6.629 4.937 -3.658 82 HA LEU 16 HA LEU 16 4.274 3.876 -2.394 83 1HB LEU 16 1HB LEU 16 5.450 6.590 -2.778 84 2HB LEU 16 2HB LEU 16 3.762 6.443 -2.294 85 HG LEU 16 HG LEU 16 6.013 5.171 -0.752 86 1HD1 LEU 16 1HD1 LEU 16 5.096 7.974 -0.819 87 2HD1 LEU 16 2HD1 LEU 16 6.656 7.297 -0.354 88 3HD1 LEU 16 3HD1 LEU 16 5.305 7.258 0.779 89 1HD2 LEU 16 1HD2 LEU 16 4.152 5.561 1.052 90 2HD2 LEU 16 2HD2 LEU 16 4.081 4.167 -0.025 91 3HD2 LEU 16 3HD2 LEU 16 3.088 5.587 -0.354 92 H SER 17 H SER 17 5.043 5.529 -5.396 93 HA SER 17 HA SER 17 2.303 5.919 -6.155 94 1HB SER 17 1HB SER 17 4.520 7.162 -6.931 95 2HB SER 17 2HB SER 17 4.491 5.924 -8.186 96 HG SER 17 HG SER 17 2.106 6.704 -8.252 97 H GLN 18 H GLN 18 4.781 3.508 -6.746 98 HA GLN 18 HA GLN 18 3.467 2.139 -8.841 99 1HB GLN 18 1HB GLN 18 5.622 1.384 -6.889 100 2HB GLN 18 2HB GLN 18 4.956 0.192 -7.998 101 1HG GLN 18 1HG GLN 18 5.893 2.781 -9.111 102 2HG GLN 18 2HG GLN 18 7.096 1.600 -8.596 103 1HE2 GLN 18 1HE2 GLN 18 4.200 1.952 -10.590 104 2HE2 GLN 18 2HE2 GLN 18 4.673 0.806 -11.793 105 H LEU 19 H LEU 19 3.455 1.726 -5.327 106 HA LEU 19 HA LEU 19 2.110 -0.634 -5.033 107 1HB LEU 19 1HB LEU 19 2.935 0.696 -3.166 108 2HB LEU 19 2HB LEU 19 1.684 1.902 -3.459 109 HG LEU 19 HG LEU 19 -0.019 0.160 -2.907 110 1HD1 LEU 19 1HD1 LEU 19 0.796 -1.813 -1.635 111 2HD1 LEU 19 2HD1 LEU 19 2.435 -1.411 -2.146 112 3HD1 LEU 19 3HD1 LEU 19 1.218 -1.842 -3.347 113 1HD2 LEU 19 1HD2 LEU 19 0.451 0.200 -0.459 114 2HD2 LEU 19 2HD2 LEU 19 0.565 1.777 -1.242 115 3HD2 LEU 19 3HD2 LEU 19 2.033 0.891 -0.824 116 H THR 20 H THR 20 0.622 2.569 -5.474 117 HA THR 20 HA THR 20 -2.041 1.831 -5.403 118 HB THR 20 HB THR 20 -0.854 3.936 -7.221 119 HG1 THR 20 HG1 THR 20 -0.525 3.886 -4.724 120 1HG2 THR 20 1HG2 THR 20 -3.066 5.026 -6.909 121 2HG2 THR 20 2HG2 THR 20 -3.621 3.581 -6.064 122 3HG2 THR 20 3HG2 THR 20 -3.163 3.488 -7.764 123 H ARG 21 H ARG 21 0.268 1.575 -8.042 124 HA ARG 21 HA ARG 21 -1.645 0.885 -10.038 125 1HB ARG 21 1HB ARG 21 1.304 0.232 -10.028 126 2HB ARG 21 2HB ARG 21 0.245 0.351 -11.427 127 1HG ARG 21 1HG ARG 21 0.540 2.738 -9.685 128 2HG ARG 21 2HG ARG 21 1.876 2.303 -10.753 129 1HD ARG 21 1HD ARG 21 -0.982 2.811 -11.574 130 2HD ARG 21 2HD ARG 21 0.388 3.889 -11.841 131 HE ARG 21 HE ARG 21 -0.297 1.542 -13.358 132 1HH1 ARG 21 1HH1 ARG 21 2.253 3.728 -12.444 133 2HH1 ARG 21 2HH1 ARG 21 3.226 3.382 -13.836 134 1HH2 ARG 21 1HH2 ARG 21 0.974 1.078 -15.194 135 2HH2 ARG 21 2HH2 ARG 21 2.496 1.876 -15.400 136 H SER 22 H SER 22 0.569 -1.000 -8.003 137 HA SER 22 HA SER 22 -0.081 -3.525 -9.064 138 1HB SER 22 1HB SER 22 0.896 -4.417 -6.951 139 2HB SER 22 2HB SER 22 1.926 -3.219 -7.734 140 HG SER 22 HG SER 22 0.898 -1.671 -6.257 141 H MET 23 H MET 23 -1.324 -1.791 -6.222 142 HA MET 23 HA MET 23 -3.001 -3.626 -5.121 143 1HB MET 23 1HB MET 23 -3.442 -0.673 -5.546 144 2HB MET 23 2HB MET 23 -4.520 -1.665 -4.574 145 1HG MET 23 1HG MET 23 -2.487 -2.306 -3.215 146 2HG MET 23 2HG MET 23 -1.634 -1.021 -4.067 147 1HE MET 23 1HE MET 23 -2.820 -1.957 -1.062 148 2HE MET 23 2HE MET 23 -3.588 -0.599 -0.239 149 3HE MET 23 3HE MET 23 -4.550 -1.671 -1.258 150 H VAL 24 H VAL 24 -3.521 -1.799 -8.080 151 HA VAL 24 HA VAL 24 -6.234 -2.564 -8.451 152 HB VAL 24 HB VAL 24 -4.201 -1.628 -10.481 153 1HG1 VAL 24 1HG1 VAL 24 -5.932 -1.327 -12.019 154 2HG1 VAL 24 2HG1 VAL 24 -6.270 -2.905 -11.306 155 3HG1 VAL 24 3HG1 VAL 24 -7.182 -1.487 -10.786 156 1HG2 VAL 24 1HG2 VAL 24 -4.736 0.516 -9.975 157 2HG2 VAL 24 2HG2 VAL 24 -6.397 0.116 -9.537 158 3HG2 VAL 24 3HG2 VAL 24 -5.086 -0.196 -8.400 159 H LYS 25 H LYS 25 -3.151 -3.828 -9.654 160 HA LYS 25 HA LYS 25 -4.262 -5.809 -11.338 161 1HB LYS 25 1HB LYS 25 -1.840 -4.867 -11.223 162 2HB LYS 25 2HB LYS 25 -1.590 -6.110 -10.004 163 1HG LYS 25 1HG LYS 25 -2.130 -7.841 -11.576 164 2HG LYS 25 2HG LYS 25 -2.579 -6.646 -12.796 165 1HD LYS 25 1HD LYS 25 -0.213 -5.786 -12.658 166 2HD LYS 25 2HD LYS 25 0.161 -7.200 -11.671 167 1HE LYS 25 1HE LYS 25 0.722 -8.003 -13.735 168 2HE LYS 25 2HE LYS 25 -0.976 -8.474 -13.681 169 1HZ LYS 25 1HZ LYS 25 0.048 -7.179 -15.718 170 2HZ LYS 25 2HZ LYS 25 -0.342 -5.837 -14.766 171 3HZ LYS 25 3HZ LYS 25 -1.550 -6.931 -15.221 172 H PHE 26 H PHE 26 -3.692 -5.653 -7.926 173 HA PHE 26 HA PHE 26 -4.782 -8.366 -7.659 174 1HB PHE 26 1HB PHE 26 -2.642 -7.382 -5.792 175 2HB PHE 26 2HB PHE 26 -3.187 -9.032 -6.071 176 HD1 PHE 26 HD1 PHE 26 -0.698 -6.652 -6.783 177 HD2 PHE 26 HD2 PHE 26 -2.776 -9.958 -8.477 178 HE1 PHE 26 HE1 PHE 26 1.137 -6.978 -8.390 179 HE2 PHE 26 HE2 PHE 26 -0.944 -10.291 -10.085 180 HZ PHE 26 HZ PHE 26 1.016 -8.800 -10.042 181 HA PRO 27 HA PRO 27 -7.243 -5.398 -5.152 182 1HB PRO 27 1HB PRO 27 -9.613 -6.628 -5.641 183 2HB PRO 27 2HB PRO 27 -8.906 -5.434 -6.736 184 1HG PRO 27 1HG PRO 27 -8.859 -8.422 -6.906 185 2HG PRO 27 2HG PRO 27 -9.138 -7.233 -8.192 186 1HD PRO 27 1HD PRO 27 -6.750 -8.458 -7.833 187 2HD PRO 27 2HD PRO 27 -6.889 -6.800 -8.451 188 H GLY 28 H GLY 28 -9.241 -6.210 -3.634 189 1HA GLY 28 1HA GLY 28 -7.975 -7.874 -1.677 190 2HA GLY 28 2HA GLY 28 -9.582 -7.171 -1.564 191 H GLY 29 H GLY 29 -8.664 -9.866 -0.855 192 1HA GLY 29 1HA GLY 29 -9.822 -11.888 -0.850 193 2HA GLY 29 2HA GLY 29 -10.777 -11.315 -2.210 194 H THR 30 H THR 30 -8.066 -10.587 -3.489 195 HA THR 30 HA THR 30 -7.863 -12.910 -5.095 196 HB THR 30 HB THR 30 -6.424 -10.319 -4.931 197 HG1 THR 30 HG1 THR 30 -6.851 -10.530 -7.254 198 1HG2 THR 30 1HG2 THR 30 -5.273 -12.727 -6.347 199 2HG2 THR 30 2HG2 THR 30 -4.555 -11.887 -4.971 200 3HG2 THR 30 3HG2 THR 30 -4.707 -11.067 -6.525 201 HA PRO 31 HA PRO 31 -5.129 -15.377 -2.662 202 1HB PRO 31 1HB PRO 31 -4.274 -17.049 -4.622 203 2HB PRO 31 2HB PRO 31 -5.885 -17.156 -3.904 204 1HG PRO 31 1HG PRO 31 -5.040 -15.886 -6.479 205 2HG PRO 31 2HG PRO 31 -6.456 -16.899 -6.143 206 1HD PRO 31 1HD PRO 31 -6.600 -14.199 -6.301 207 2HD PRO 31 2HD PRO 31 -7.646 -15.150 -5.227 208 H GLY 32 H GLY 32 -3.257 -14.542 -1.966 209 1HA GLY 32 1HA GLY 32 -0.960 -14.185 -2.008 210 2HA GLY 32 2HA GLY 32 -0.965 -14.531 -3.731 211 H ARG 33 H ARG 33 -3.194 -12.199 -2.481 212 HA ARG 33 HA ARG 33 -2.617 -10.170 -4.197 213 1HB ARG 33 1HB ARG 33 -4.541 -10.107 -2.712 214 2HB ARG 33 2HB ARG 33 -3.490 -9.916 -1.315 215 1HG ARG 33 1HG ARG 33 -2.690 -7.765 -2.403 216 2HG ARG 33 2HG ARG 33 -4.062 -7.942 -3.498 217 1HD ARG 33 1HD ARG 33 -5.471 -8.174 -1.362 218 2HD ARG 33 2HD ARG 33 -4.064 -7.514 -0.529 219 HE ARG 33 HE ARG 33 -4.815 -5.904 -2.751 220 1HH1 ARG 33 1HH1 ARG 33 -5.643 -6.666 0.544 221 2HH1 ARG 33 2HH1 ARG 33 -6.369 -5.124 0.855 222 1HH2 ARG 33 1HH2 ARG 33 -5.769 -3.870 -2.353 223 2HH2 ARG 33 2HH2 ARG 33 -6.442 -3.535 -0.794 224 H TRP 34 H TRP 34 -1.577 -9.904 -0.804 225 HA TRP 34 HA TRP 34 0.342 -7.938 -1.249 226 1HB TRP 34 1HB TRP 34 0.229 -10.029 0.935 227 2HB TRP 34 2HB TRP 34 1.266 -8.605 0.962 228 HD1 TRP 34 HD1 TRP 34 -1.792 -9.686 2.447 229 HE1 TRP 34 HE1 TRP 34 -3.340 -7.723 3.058 230 HE3 TRP 34 HE3 TRP 34 0.409 -6.017 -0.350 231 HZ2 TRP 34 HZ2 TRP 34 -3.594 -4.981 2.436 232 HZ3 TRP 34 HZ3 TRP 34 -0.548 -3.751 -0.287 233 HH2 TRP 34 HH2 TRP 34 -2.509 -3.246 1.078 234 H GLU 35 H GLU 35 0.554 -11.420 -1.519 235 HA GLU 35 HA GLU 35 3.373 -11.624 -1.590 236 1HB GLU 35 1HB GLU 35 1.084 -13.372 -2.315 237 2HB GLU 35 2HB GLU 35 2.641 -13.763 -3.031 238 1HG GLU 35 1HG GLU 35 3.641 -13.934 -0.831 239 2HG GLU 35 2HG GLU 35 2.114 -13.471 -0.082 240 H LYS 36 H LYS 36 0.968 -10.856 -4.000 241 HA LYS 36 HA LYS 36 2.828 -11.091 -6.205 242 1HB LYS 36 1HB LYS 36 0.012 -9.993 -6.103 243 2HB LYS 36 2HB LYS 36 0.947 -10.252 -7.571 244 1HG LYS 36 1HG LYS 36 0.617 -12.485 -7.553 245 2HG LYS 36 2HG LYS 36 0.638 -12.585 -5.791 246 1HD LYS 36 1HD LYS 36 -1.598 -12.146 -5.603 247 2HD LYS 36 2HD LYS 36 -1.641 -11.176 -7.077 248 1HE LYS 36 1HE LYS 36 -1.087 -14.097 -7.286 249 2HE LYS 36 2HE LYS 36 -2.741 -13.565 -6.984 250 1HZ LYS 36 1HZ LYS 36 -2.669 -13.608 -9.260 251 2HZ LYS 36 2HZ LYS 36 -1.052 -13.120 -9.346 252 3HZ LYS 36 3HZ LYS 36 -2.256 -11.992 -8.972 253 H ILE 37 H ILE 37 1.159 -8.481 -4.474 254 HA ILE 37 HA ILE 37 2.147 -6.335 -5.968 255 HB ILE 37 HB ILE 37 1.360 -6.450 -3.057 256 1HG1 ILE 37 1HG1 ILE 37 -0.153 -5.314 -5.411 257 2HG1 ILE 37 2HG1 ILE 37 -0.367 -6.964 -4.838 258 1HG2 ILE 37 1HG2 ILE 37 2.364 -4.458 -2.896 259 2HG2 ILE 37 2HG2 ILE 37 2.530 -4.299 -4.643 260 3HG2 ILE 37 3HG2 ILE 37 1.014 -3.855 -3.858 261 1HD1 ILE 37 1HD1 ILE 37 -1.864 -6.235 -3.391 262 2HD1 ILE 37 2HD1 ILE 37 -0.617 -5.270 -2.600 263 3HD1 ILE 37 3HD1 ILE 37 -1.579 -4.572 -3.903 264 H ALA 38 H ALA 38 3.526 -8.071 -3.228 265 HA ALA 38 HA ALA 38 5.687 -6.321 -2.743 266 1HB ALA 38 1HB ALA 38 5.803 -9.274 -2.232 267 2HB ALA 38 2HB ALA 38 6.525 -7.958 -1.305 268 3HB ALA 38 3HB ALA 38 4.780 -8.211 -1.266 269 H HIS 39 H HIS 39 5.475 -9.326 -4.640 270 HA HIS 39 HA HIS 39 8.145 -9.372 -5.497 271 1HB HIS 39 1HB HIS 39 6.838 -11.352 -5.744 272 2HB HIS 39 2HB HIS 39 5.627 -10.512 -6.709 273 HD1 HIS 39 HD1 HIS 39 9.112 -11.911 -6.931 274 HD2 HIS 39 HD2 HIS 39 6.168 -10.358 -9.417 275 HE1 HIS 39 HE1 HIS 39 9.894 -12.382 -9.274 276 H GLU 40 H GLU 40 5.439 -7.488 -6.533 277 HA GLU 40 HA GLU 40 6.618 -6.746 -9.065 278 1HB GLU 40 1HB GLU 40 4.149 -5.857 -7.585 279 2HB GLU 40 2HB GLU 40 4.675 -5.084 -9.074 280 1HG GLU 40 1HG GLU 40 4.152 -8.034 -8.859 281 2HG GLU 40 2HG GLU 40 2.914 -6.863 -9.308 282 H LEU 41 H LEU 41 5.891 -5.095 -5.996 283 HA LEU 41 HA LEU 41 7.179 -2.671 -6.732 284 1HB LEU 41 1HB LEU 41 6.423 -3.781 -4.036 285 2HB LEU 41 2HB LEU 41 7.027 -2.148 -4.304 286 HG LEU 41 HG LEU 41 4.412 -3.311 -5.247 287 1HD1 LEU 41 1HD1 LEU 41 5.222 -1.870 -2.922 288 2HD1 LEU 41 2HD1 LEU 41 3.623 -2.472 -3.356 289 3HD1 LEU 41 3HD1 LEU 41 4.132 -0.866 -3.877 290 1HD2 LEU 41 1HD2 LEU 41 5.106 -1.961 -7.041 291 2HD2 LEU 41 2HD2 LEU 41 5.795 -0.743 -5.968 292 3HD2 LEU 41 3HD2 LEU 41 4.044 -0.934 -6.077 293 H GLY 42 H GLY 42 8.290 -5.681 -5.460 294 1HA GLY 42 1HA GLY 42 10.542 -6.359 -5.448 295 2HA GLY 42 2HA GLY 42 11.028 -4.672 -5.523 296 H ARG 43 H ARG 43 8.624 -5.360 -3.205 297 HA ARG 43 HA ARG 43 10.661 -5.291 -1.076 298 1HB ARG 43 1HB ARG 43 7.840 -4.203 -1.066 299 2HB ARG 43 2HB ARG 43 8.913 -4.218 0.327 300 1HG ARG 43 1HG ARG 43 10.470 -2.754 -0.838 301 2HG ARG 43 2HG ARG 43 9.423 -2.760 -2.258 302 1HD ARG 43 1HD ARG 43 7.629 -1.747 -0.920 303 2HD ARG 43 2HD ARG 43 8.700 -1.720 0.480 304 HE ARG 43 HE ARG 43 8.636 0.161 -1.642 305 1HH1 ARG 43 1HH1 ARG 43 10.809 -1.474 0.532 306 2HH1 ARG 43 2HH1 ARG 43 11.996 -0.213 0.501 307 1HH2 ARG 43 1HH2 ARG 43 10.192 1.828 -1.690 308 2HH2 ARG 43 2HH2 ARG 43 11.645 1.665 -0.763 309 H SER 44 H SER 44 9.308 -5.960 1.108 310 HA SER 44 HA SER 44 8.636 -8.755 0.615 311 1HB SER 44 1HB SER 44 9.287 -7.208 3.125 312 2HB SER 44 2HB SER 44 8.732 -8.881 3.156 313 HG SER 44 HG SER 44 10.867 -8.230 1.475 314 H VAL 45 H VAL 45 6.722 -9.723 1.255 315 HA VAL 45 HA VAL 45 4.341 -8.545 0.832 316 HB VAL 45 HB VAL 45 5.017 -10.753 2.759 317 1HG1 VAL 45 1HG1 VAL 45 3.072 -10.268 3.791 318 2HG1 VAL 45 2HG1 VAL 45 2.468 -9.313 2.436 319 3HG1 VAL 45 3HG1 VAL 45 2.363 -11.073 2.392 320 1HG2 VAL 45 1HG2 VAL 45 5.204 -11.720 0.725 321 2HG2 VAL 45 2HG2 VAL 45 3.450 -11.836 0.861 322 3HG2 VAL 45 3HG2 VAL 45 4.177 -10.521 -0.061 323 H THR 46 H THR 46 5.280 -9.210 4.201 324 HA THR 46 HA THR 46 3.473 -7.588 5.459 325 HB THR 46 HB THR 46 4.923 -9.108 6.698 326 HG1 THR 46 HG1 THR 46 5.626 -7.422 8.337 327 1HG2 THR 46 1HG2 THR 46 7.161 -7.119 6.398 328 2HG2 THR 46 2HG2 THR 46 6.983 -8.499 5.314 329 3HG2 THR 46 3HG2 THR 46 7.228 -8.760 7.041 330 H ASP 47 H ASP 47 6.591 -6.667 4.086 331 HA ASP 47 HA ASP 47 6.776 -4.073 5.081 332 1HB ASP 47 1HB ASP 47 8.472 -5.455 3.690 333 2HB ASP 47 2HB ASP 47 7.652 -4.767 2.291 334 H VAL 48 H VAL 48 5.080 -5.306 2.238 335 HA VAL 48 HA VAL 48 4.264 -2.729 1.308 336 HB VAL 48 HB VAL 48 2.695 -5.141 0.561 337 1HG1 VAL 48 1HG1 VAL 48 3.753 -3.744 -1.651 338 2HG1 VAL 48 2HG1 VAL 48 2.093 -3.740 -1.053 339 3HG1 VAL 48 3HG1 VAL 48 3.244 -2.535 -0.472 340 1HG2 VAL 48 1HG2 VAL 48 5.632 -4.827 0.119 341 2HG2 VAL 48 2HG2 VAL 48 4.703 -6.276 0.502 342 3HG2 VAL 48 3HG2 VAL 48 4.640 -5.593 -1.122 343 H THR 49 H THR 49 2.294 -5.440 2.536 344 HA THR 49 HA THR 49 -0.077 -4.120 2.905 345 HB THR 49 HB THR 49 -0.354 -6.343 3.340 346 HG1 THR 49 HG1 THR 49 0.164 -5.750 6.043 347 1HG2 THR 49 1HG2 THR 49 2.337 -6.151 4.604 348 2HG2 THR 49 2HG2 THR 49 1.740 -7.279 3.387 349 3HG2 THR 49 3HG2 THR 49 1.281 -7.481 5.077 350 H THR 50 H THR 50 2.652 -4.290 5.161 351 HA THR 50 HA THR 50 1.459 -2.948 7.310 352 HB THR 50 HB THR 50 4.369 -3.043 6.493 353 HG1 THR 50 HG1 THR 50 3.332 -5.066 7.039 354 1HG2 THR 50 1HG2 THR 50 4.356 -2.691 9.192 355 2HG2 THR 50 2HG2 THR 50 2.994 -1.682 8.706 356 3HG2 THR 50 3HG2 THR 50 4.593 -1.398 8.018 357 H LYS 51 H LYS 51 2.732 -1.776 4.312 358 HA LYS 51 HA LYS 51 2.844 0.980 5.235 359 1HB LYS 51 1HB LYS 51 4.586 0.351 3.726 360 2HB LYS 51 2HB LYS 51 3.436 -0.329 2.582 361 1HG LYS 51 1HG LYS 51 4.328 1.820 1.830 362 2HG LYS 51 2HG LYS 51 2.581 1.878 2.077 363 1HD LYS 51 1HD LYS 51 3.373 3.863 3.037 364 2HD LYS 51 2HD LYS 51 3.127 2.781 4.410 365 1HE LYS 51 1HE LYS 51 5.657 2.177 3.908 366 2HE LYS 51 2HE LYS 51 5.650 3.793 3.205 367 1HZ LYS 51 1HZ LYS 51 6.162 4.321 5.331 368 2HZ LYS 51 2HZ LYS 51 5.373 2.980 5.993 369 3HZ LYS 51 3HZ LYS 51 4.478 4.326 5.495 370 H ALA 52 H ALA 52 1.045 -0.923 2.825 371 HA ALA 52 HA ALA 52 -0.655 1.110 1.943 372 1HB ALA 52 1HB ALA 52 -1.983 -0.585 0.968 373 2HB ALA 52 2HB ALA 52 -0.321 -1.174 0.917 374 3HB ALA 52 3HB ALA 52 -1.437 -1.788 2.137 375 H LYS 53 H LYS 53 -0.877 -1.037 4.719 376 HA LYS 53 HA LYS 53 -3.534 -0.558 5.444 377 1HB LYS 53 1HB LYS 53 -2.802 -1.212 7.740 378 2HB LYS 53 2HB LYS 53 -2.307 -2.341 6.486 379 1HG LYS 53 1HG LYS 53 -0.363 -2.203 7.645 380 2HG LYS 53 2HG LYS 53 -0.115 -0.862 6.524 381 1HD LYS 53 1HD LYS 53 0.429 0.098 8.557 382 2HD LYS 53 2HD LYS 53 -1.267 0.554 8.378 383 1HE LYS 53 1HE LYS 53 -1.743 -1.626 9.685 384 2HE LYS 53 2HE LYS 53 -0.044 -1.533 10.148 385 1HZ LYS 53 1HZ LYS 53 -0.838 -0.282 11.810 386 2HZ LYS 53 2HZ LYS 53 -2.284 0.080 11.011 387 3HZ LYS 53 3HZ LYS 53 -0.881 0.958 10.660 388 H GLN 54 H GLN 54 -0.638 1.338 5.929 389 HA GLN 54 HA GLN 54 -1.770 3.116 7.857 390 1HB GLN 54 1HB GLN 54 0.591 3.642 6.050 391 2HB GLN 54 2HB GLN 54 0.231 4.418 7.587 392 1HG GLN 54 1HG GLN 54 0.619 2.332 8.760 393 2HG GLN 54 2HG GLN 54 0.917 1.510 7.229 394 1HE2 GLN 54 1HE2 GLN 54 2.725 1.587 9.374 395 2HE2 GLN 54 2HE2 GLN 54 4.130 2.455 8.865 396 H LEU 55 H LEU 55 -1.958 2.832 4.452 397 HA LEU 55 HA LEU 55 -2.659 5.611 4.012 398 1HB LEU 55 1HB LEU 55 -2.854 3.302 2.090 399 2HB LEU 55 2HB LEU 55 -2.873 5.020 1.697 400 HG LEU 55 HG LEU 55 -0.497 3.577 2.867 401 1HD1 LEU 55 1HD1 LEU 55 -0.419 4.510 0.081 402 2HD1 LEU 55 2HD1 LEU 55 -1.461 3.120 0.384 403 3HD1 LEU 55 3HD1 LEU 55 0.248 3.050 0.814 404 1HD2 LEU 55 1HD2 LEU 55 0.723 5.539 2.435 405 2HD2 LEU 55 2HD2 LEU 55 -0.771 6.084 3.198 406 3HD2 LEU 55 3HD2 LEU 55 -0.570 6.227 1.451 407 H LYS 56 H LYS 56 -4.248 2.475 4.199 408 HA LYS 56 HA LYS 56 -6.808 3.336 3.357 409 1HB LYS 56 1HB LYS 56 -7.599 1.227 4.074 410 2HB LYS 56 2HB LYS 56 -5.955 0.946 3.516 411 1HG LYS 56 1HG LYS 56 -5.143 0.623 5.660 412 2HG LYS 56 2HG LYS 56 -6.498 1.472 6.408 413 1HD LYS 56 1HD LYS 56 -7.941 -0.439 5.458 414 2HD LYS 56 2HD LYS 56 -6.412 -1.297 5.255 415 1HE LYS 56 1HE LYS 56 -7.478 -0.167 7.841 416 2HE LYS 56 2HE LYS 56 -7.491 -1.868 7.376 417 1HZ LYS 56 1HZ LYS 56 -5.560 -0.741 8.823 418 2HZ LYS 56 2HZ LYS 56 -4.904 -0.562 7.274 419 3HZ LYS 56 3HZ LYS 56 -5.320 -2.100 7.843 420 H ASP 57 H ASP 57 -5.093 3.624 6.335 421 HA ASP 57 HA ASP 57 -7.426 4.077 7.962 422 1HB ASP 57 1HB ASP 57 -5.051 3.206 8.663 423 2HB ASP 57 2HB ASP 57 -4.671 4.922 8.781 424 H SER 58 H SER 58 -4.672 6.161 7.055 425 HA SER 58 HA SER 58 -6.048 8.548 7.800 426 1HB SER 58 1HB SER 58 -3.548 8.260 7.820 427 2HB SER 58 2HB SER 58 -3.586 8.316 6.058 428 HG SER 58 HG SER 58 -3.255 10.382 6.614 429 H VAL 59 H VAL 59 -7.855 9.019 6.684 430 HA VAL 59 HA VAL 59 -7.655 9.118 3.743 431 HB VAL 59 HB VAL 59 -10.120 8.687 5.437 432 1HG1 VAL 59 1HG1 VAL 59 -10.026 9.943 3.014 433 2HG1 VAL 59 2HG1 VAL 59 -10.304 8.264 2.548 434 3HG1 VAL 59 3HG1 VAL 59 -11.419 9.070 3.652 435 1HG2 VAL 59 1HG2 VAL 59 -9.427 6.694 3.422 436 2HG2 VAL 59 2HG2 VAL 59 -8.220 6.849 4.699 437 3HG2 VAL 59 3HG2 VAL 59 -9.896 6.484 5.109 438 H THR 60 H THR 60 -8.147 10.982 2.716 439 HA THR 60 HA THR 60 -9.127 13.223 4.361 440 HB THR 60 HB THR 60 -7.726 14.748 3.027 441 HG1 THR 60 HG1 THR 60 -7.393 13.636 1.137 442 1HG2 THR 60 1HG2 THR 60 -6.723 14.169 5.061 443 2HG2 THR 60 2HG2 THR 60 -5.465 13.845 3.868 444 3HG2 THR 60 3HG2 THR 60 -6.407 12.514 4.539 445 H CYS 61 H CYS 61 -11.254 12.699 3.577 446 HA CYS 61 HA CYS 61 -11.733 13.074 0.725 447 1HB CYS 61 1HB CYS 61 -12.858 11.223 1.945 448 2HB CYS 61 2HB CYS 61 -13.695 12.416 2.931 449 HG CYS 61 HG CYS 61 -14.378 11.347 -0.154 450 H SER 62 H SER 62 -12.966 14.409 3.792 451 HA SER 62 HA SER 62 -14.449 16.498 2.679 452 1HB SER 62 1HB SER 62 -14.261 17.556 4.935 453 2HB SER 62 2HB SER 62 -14.751 15.863 4.996 454 HG SER 62 HG SER 62 -12.514 15.370 5.414 455 HA PRO 63 HA PRO 63 -11.400 19.322 1.222 456 1HB PRO 63 1HB PRO 63 -12.891 21.591 1.242 457 2HB PRO 63 2HB PRO 63 -13.104 20.311 0.041 458 1HG PRO 63 1HG PRO 63 -14.683 20.861 2.524 459 2HG PRO 63 2HG PRO 63 -15.260 20.418 0.907 460 1HD PRO 63 1HD PRO 63 -15.062 18.624 2.925 461 2HD PRO 63 2HD PRO 63 -14.816 18.179 1.224 462 H GLY 64 H GLY 64 -10.000 20.935 1.944 463 1HA GLY 64 1HA GLY 64 -9.281 21.076 4.555 464 2HA GLY 64 2HA GLY 64 -9.002 22.396 3.429 465 H MET 65 H MET 65 -9.863 22.102 6.383 466 HA MET 65 HA MET 65 -11.616 24.386 6.346 467 1HB MET 65 1HB MET 65 -13.415 23.373 7.641 468 2HB MET 65 2HB MET 65 -13.229 22.548 6.100 469 1HG MET 65 1HG MET 65 -11.980 20.761 7.220 470 2HG MET 65 2HG MET 65 -12.210 21.583 8.761 471 1HE MET 65 1HE MET 65 -14.614 21.200 10.256 472 2HE MET 65 2HE MET 65 -14.877 19.474 10.006 473 3HE MET 65 3HE MET 65 -13.235 20.111 10.113 474 H VAL 66 H VAL 66 -11.870 25.359 8.441 475 HA VAL 66 HA VAL 66 -9.715 24.581 10.285 476 HB VAL 66 HB VAL 66 -9.572 26.862 9.338 477 1HG1 VAL 66 1HG1 VAL 66 -12.049 27.191 9.186 478 2HG1 VAL 66 2HG1 VAL 66 -12.058 27.464 10.930 479 3HG1 VAL 66 3HG1 VAL 66 -11.165 28.555 9.869 480 1HG2 VAL 66 1HG2 VAL 66 -10.079 26.680 12.305 481 2HG2 VAL 66 2HG2 VAL 66 -8.542 26.447 11.473 482 3HG2 VAL 66 3HG2 VAL 66 -9.293 28.042 11.507 483 H SER 67 H SER 67 -10.154 23.970 12.315 484 HA SER 67 HA SER 67 -12.711 24.629 13.537 485 1HB SER 67 1HB SER 67 -13.198 22.536 12.364 486 2HB SER 67 2HB SER 67 -11.810 21.766 13.131 487 HG SER 67 HG SER 67 -14.200 21.745 14.046 488 H GLY 68 H GLY 68 -12.481 25.036 15.648 489 1HA GLY 68 1HA GLY 68 -11.549 24.183 17.794 490 2HA GLY 68 2HA GLY 68 -10.007 24.084 16.956 491 HA PRO 69 HA PRO 69 -8.967 28.182 18.093 492 1HB PRO 69 1HB PRO 69 -7.898 29.233 15.830 493 2HB PRO 69 2HB PRO 69 -7.080 27.998 16.794 494 1HG PRO 69 1HG PRO 69 -8.680 27.689 14.283 495 2HG PRO 69 2HG PRO 69 -7.144 26.926 14.732 496 1HD PRO 69 1HD PRO 69 -9.519 25.641 14.925 497 2HD PRO 69 2HD PRO 69 -8.173 25.331 16.040 498 H SER 70 H SER 70 -9.905 30.144 18.295 499 HA SER 70 HA SER 70 -12.057 30.803 16.401 500 1HB SER 70 1HB SER 70 -12.605 30.437 18.859 501 2HB SER 70 2HB SER 70 -11.719 31.928 19.184 502 HG SER 70 HG SER 70 -14.034 32.175 18.878 503 H SER 71 H SER 71 -12.505 33.265 16.355 504 HA SER 71 HA SER 71 -9.990 34.547 15.613 505 1HB SER 71 1HB SER 71 -11.513 36.262 14.563 506 2HB SER 71 2HB SER 71 -11.677 34.632 13.908 507 HG SER 71 HG SER 71 -13.529 36.172 15.107 508 H GLY 72 H GLY 72 -9.097 36.183 16.713 509 1HA GLY 72 1HA GLY 72 -9.548 38.304 17.935 510 2HA GLY 72 2HA GLY 72 -10.687 37.377 18.901 Start of MODEL 9 1 1H GLY 1 1H GLY 1 20.153 -12.820 -3.138 2 1HA GLY 1 1HA GLY 1 18.405 -14.872 -3.348 3 2HA GLY 1 2HA GLY 1 19.778 -15.626 -2.551 4 H SER 2 H SER 2 17.105 -15.254 -1.510 5 HA SER 2 HA SER 2 15.965 -14.397 0.287 6 1HB SER 2 1HB SER 2 17.045 -14.827 2.354 7 2HB SER 2 2HB SER 2 17.746 -15.980 1.219 8 HG SER 2 HG SER 2 19.281 -14.825 2.575 9 H SER 3 H SER 3 16.725 -12.343 -1.409 10 HA SER 3 HA SER 3 18.162 -10.245 -0.264 11 1HB SER 3 1HB SER 3 15.776 -10.005 -2.112 12 2HB SER 3 2HB SER 3 17.036 -8.797 -1.862 13 HG SER 3 HG SER 3 17.023 -10.925 -3.515 14 H GLY 4 H GLY 4 17.753 -9.729 1.827 15 1HA GLY 4 1HA GLY 4 16.392 -7.986 2.988 16 2HA GLY 4 2HA GLY 4 14.988 -8.910 2.475 17 H SER 5 H SER 5 18.085 -9.617 4.102 18 HA SER 5 HA SER 5 16.596 -11.309 5.988 19 1HB SER 5 1HB SER 5 18.597 -12.535 6.358 20 2HB SER 5 2HB SER 5 18.520 -12.274 4.615 21 HG SER 5 HG SER 5 20.105 -10.894 6.516 22 H SER 6 H SER 6 18.995 -8.727 5.793 23 HA SER 6 HA SER 6 19.145 -8.454 8.667 24 1HB SER 6 1HB SER 6 21.130 -8.026 7.273 25 2HB SER 6 2HB SER 6 20.283 -6.701 6.474 26 HG SER 6 HG SER 6 21.405 -6.830 9.011 27 H GLY 7 H GLY 7 17.921 -6.497 5.955 28 1HA GLY 7 1HA GLY 7 15.737 -5.519 7.529 29 2HA GLY 7 2HA GLY 7 16.980 -4.298 7.300 30 H ALA 8 H ALA 8 15.220 -3.137 6.211 31 HA ALA 8 HA ALA 8 15.263 -3.730 3.355 32 1HB ALA 8 1HB ALA 8 12.960 -3.782 3.035 33 2HB ALA 8 2HB ALA 8 13.192 -4.753 4.489 34 3HB ALA 8 3HB ALA 8 12.625 -3.088 4.621 35 HA PRO 9 HA PRO 9 15.732 0.629 3.024 36 1HB PRO 9 1HB PRO 9 14.797 1.016 0.505 37 2HB PRO 9 2HB PRO 9 16.356 0.256 0.844 38 1HG PRO 9 1HG PRO 9 13.733 -1.020 0.173 39 2HG PRO 9 2HG PRO 9 15.356 -1.419 -0.421 40 1HD PRO 9 1HD PRO 9 14.130 -2.837 1.533 41 2HD PRO 9 2HD PRO 9 15.891 -2.618 1.473 42 H GLU 10 H GLU 10 14.565 2.615 2.869 43 HA GLU 10 HA GLU 10 11.944 2.490 3.955 44 1HB GLU 10 1HB GLU 10 12.000 4.895 3.947 45 2HB GLU 10 2HB GLU 10 13.582 4.303 4.435 46 1HG GLU 10 1HG GLU 10 14.238 4.587 1.979 47 2HG GLU 10 2HG GLU 10 12.769 5.552 1.839 48 H TRP 11 H TRP 11 10.324 4.233 2.874 49 HA TRP 11 HA TRP 11 9.740 3.101 0.239 50 1HB TRP 11 1HB TRP 11 8.076 4.500 2.317 51 2HB TRP 11 2HB TRP 11 7.502 4.337 0.660 52 HD1 TRP 11 HD1 TRP 11 8.243 2.267 3.790 53 HE1 TRP 11 HE1 TRP 11 7.139 -0.043 3.529 54 HE3 TRP 11 HE3 TRP 11 6.727 2.637 -1.079 55 HZ2 TRP 11 HZ2 TRP 11 5.803 -1.514 1.524 56 HZ3 TRP 11 HZ3 TRP 11 5.543 0.734 -2.093 57 HH2 TRP 11 HH2 TRP 11 5.092 -1.298 -0.817 58 H THR 12 H THR 12 9.711 4.275 -1.595 59 HA THR 12 HA THR 12 10.217 7.171 -1.365 60 HB THR 12 HB THR 12 11.564 7.054 -3.406 61 HG1 THR 12 HG1 THR 12 11.069 5.345 -4.588 62 1HG2 THR 12 1HG2 THR 12 13.302 5.272 -2.349 63 2HG2 THR 12 2HG2 THR 12 12.272 5.582 -0.951 64 3HG2 THR 12 3HG2 THR 12 13.099 6.918 -1.750 65 H GLU 13 H GLU 13 9.297 8.521 -2.943 66 HA GLU 13 HA GLU 13 6.744 8.290 -3.640 67 1HB GLU 13 1HB GLU 13 9.029 9.610 -5.003 68 2HB GLU 13 2HB GLU 13 7.526 9.490 -5.906 69 1HG GLU 13 1HG GLU 13 6.383 10.862 -4.457 70 2HG GLU 13 2HG GLU 13 7.480 10.537 -3.116 71 H GLU 14 H GLU 14 9.397 6.904 -5.536 72 HA GLU 14 HA GLU 14 7.875 5.905 -7.660 73 1HB GLU 14 1HB GLU 14 10.326 6.034 -7.704 74 2HB GLU 14 2HB GLU 14 10.419 4.784 -6.472 75 1HG GLU 14 1HG GLU 14 10.826 3.615 -8.414 76 2HG GLU 14 2HG GLU 14 9.104 3.342 -8.155 77 H ASP 15 H ASP 15 8.862 4.347 -4.623 78 HA ASP 15 HA ASP 15 7.485 1.909 -5.188 79 1HB ASP 15 1HB ASP 15 8.990 3.048 -2.898 80 2HB ASP 15 2HB ASP 15 7.814 1.793 -2.520 81 H LEU 16 H LEU 16 6.657 4.915 -3.630 82 HA LEU 16 HA LEU 16 4.268 3.917 -2.388 83 1HB LEU 16 1HB LEU 16 5.514 6.602 -2.761 84 2HB LEU 16 2HB LEU 16 3.826 6.494 -2.269 85 HG LEU 16 HG LEU 16 6.077 5.191 -0.750 86 1HD1 LEU 16 1HD1 LEU 16 5.322 7.251 0.809 87 2HD1 LEU 16 2HD1 LEU 16 5.141 7.983 -0.785 88 3HD1 LEU 16 3HD1 LEU 16 6.696 7.308 -0.296 89 1HD2 LEU 16 1HD2 LEU 16 4.132 4.150 -0.075 90 2HD2 LEU 16 2HD2 LEU 16 3.149 5.596 -0.313 91 3HD2 LEU 16 3HD2 LEU 16 4.240 5.487 1.070 92 H SER 17 H SER 17 5.116 5.367 -5.439 93 HA SER 17 HA SER 17 2.377 5.905 -6.186 94 1HB SER 17 1HB SER 17 4.633 7.081 -6.962 95 2HB SER 17 2HB SER 17 4.566 5.841 -8.214 96 HG SER 17 HG SER 17 2.417 7.587 -7.597 97 H GLN 18 H GLN 18 4.782 3.417 -6.732 98 HA GLN 18 HA GLN 18 3.451 2.073 -8.835 99 1HB GLN 18 1HB GLN 18 5.567 1.280 -6.859 100 2HB GLN 18 2HB GLN 18 4.870 0.087 -7.946 101 1HG GLN 18 1HG GLN 18 5.901 2.626 -9.095 102 2HG GLN 18 2HG GLN 18 7.054 1.401 -8.569 103 1HE2 GLN 18 1HE2 GLN 18 4.185 1.871 -10.576 104 2HE2 GLN 18 2HE2 GLN 18 4.604 0.688 -11.764 105 H LEU 19 H LEU 19 3.347 1.741 -5.321 106 HA LEU 19 HA LEU 19 1.930 -0.594 -5.033 107 1HB LEU 19 1HB LEU 19 2.772 0.626 -3.137 108 2HB LEU 19 2HB LEU 19 1.682 1.970 -3.470 109 HG LEU 19 HG LEU 19 -0.234 0.504 -2.928 110 1HD1 LEU 19 1HD1 LEU 19 0.185 -1.689 -3.132 111 2HD1 LEU 19 2HD1 LEU 19 0.765 -1.556 -1.472 112 3HD1 LEU 19 3HD1 LEU 19 1.909 -1.495 -2.813 113 1HD2 LEU 19 1HD2 LEU 19 1.916 0.890 -0.860 114 2HD2 LEU 19 2HD2 LEU 19 0.292 0.326 -0.466 115 3HD2 LEU 19 3HD2 LEU 19 0.523 1.919 -1.189 116 H THR 20 H THR 20 0.620 2.657 -5.607 117 HA THR 20 HA THR 20 -2.090 2.040 -5.509 118 HB THR 20 HB THR 20 -0.735 4.090 -7.273 119 HG1 THR 20 HG1 THR 20 -1.330 3.969 -4.570 120 1HG2 THR 20 1HG2 THR 20 -3.339 4.850 -6.378 121 2HG2 THR 20 2HG2 THR 20 -3.442 3.274 -7.162 122 3HG2 THR 20 3HG2 THR 20 -2.754 4.647 -8.029 123 H ARG 21 H ARG 21 0.253 1.542 -8.059 124 HA ARG 21 HA ARG 21 -1.709 0.913 -10.064 125 1HB ARG 21 1HB ARG 21 1.256 0.328 -10.073 126 2HB ARG 21 2HB ARG 21 0.182 0.332 -11.465 127 1HG ARG 21 1HG ARG 21 0.385 2.818 -9.856 128 2HG ARG 21 2HG ARG 21 1.741 2.381 -10.898 129 1HD ARG 21 1HD ARG 21 0.397 3.725 -12.252 130 2HD ARG 21 2HD ARG 21 -0.016 2.081 -12.736 131 HE ARG 21 HE ARG 21 -1.831 2.716 -10.790 132 1HH1 ARG 21 1HH1 ARG 21 -0.880 4.095 -13.841 133 2HH1 ARG 21 2HH1 ARG 21 -2.445 4.759 -14.177 134 1HH2 ARG 21 1HH2 ARG 21 -3.895 3.585 -11.220 135 2HH2 ARG 21 2HH2 ARG 21 -4.159 4.469 -12.685 136 H SER 22 H SER 22 0.502 -0.923 -7.994 137 HA SER 22 HA SER 22 -0.114 -3.470 -9.038 138 1HB SER 22 1HB SER 22 0.863 -4.324 -6.902 139 2HB SER 22 2HB SER 22 1.890 -3.145 -7.718 140 HG SER 22 HG SER 22 0.571 -1.629 -6.226 141 H MET 23 H MET 23 -1.354 -1.731 -6.195 142 HA MET 23 HA MET 23 -3.025 -3.573 -5.093 143 1HB MET 23 1HB MET 23 -3.432 -0.614 -5.494 144 2HB MET 23 2HB MET 23 -4.555 -1.597 -4.563 145 1HG MET 23 1HG MET 23 -2.618 -2.282 -3.130 146 2HG MET 23 2HG MET 23 -1.655 -1.073 -3.977 147 1HE MET 23 1HE MET 23 -4.130 -0.428 -0.347 148 2HE MET 23 2HE MET 23 -4.577 -1.730 -1.450 149 3HE MET 23 3HE MET 23 -2.943 -1.656 -0.788 150 H VAL 24 H VAL 24 -3.544 -1.754 -8.052 151 HA VAL 24 HA VAL 24 -6.264 -2.514 -8.412 152 HB VAL 24 HB VAL 24 -4.249 -1.580 -10.461 153 1HG1 VAL 24 1HG1 VAL 24 -7.223 -1.359 -10.726 154 2HG1 VAL 24 2HG1 VAL 24 -5.982 -1.286 -11.978 155 3HG1 VAL 24 3HG1 VAL 24 -6.382 -2.828 -11.220 156 1HG2 VAL 24 1HG2 VAL 24 -5.392 -0.200 -8.316 157 2HG2 VAL 24 2HG2 VAL 24 -4.537 0.489 -9.696 158 3HG2 VAL 24 3HG2 VAL 24 -6.291 0.319 -9.742 159 H LYS 25 H LYS 25 -3.181 -3.780 -9.602 160 HA LYS 25 HA LYS 25 -4.299 -5.755 -11.298 161 1HB LYS 25 1HB LYS 25 -1.879 -4.804 -11.199 162 2HB LYS 25 2HB LYS 25 -1.615 -6.048 -9.984 163 1HG LYS 25 1HG LYS 25 -2.202 -7.774 -11.569 164 2HG LYS 25 2HG LYS 25 -2.593 -6.558 -12.787 165 1HD LYS 25 1HD LYS 25 -0.217 -5.765 -12.618 166 2HD LYS 25 2HD LYS 25 0.110 -7.170 -11.601 167 1HE LYS 25 1HE LYS 25 0.692 -8.037 -13.627 168 2HE LYS 25 2HE LYS 25 -1.024 -8.441 -13.626 169 1HZ LYS 25 1HZ LYS 25 0.423 -6.686 -15.353 170 2HZ LYS 25 2HZ LYS 25 -0.920 -5.919 -14.668 171 3HZ LYS 25 3HZ LYS 25 -1.121 -7.352 -15.545 172 H PHE 26 H PHE 26 -3.703 -5.603 -7.890 173 HA PHE 26 HA PHE 26 -4.780 -8.321 -7.619 174 1HB PHE 26 1HB PHE 26 -2.628 -7.329 -5.769 175 2HB PHE 26 2HB PHE 26 -3.171 -8.981 -6.041 176 HD1 PHE 26 HD1 PHE 26 -0.685 -6.609 -6.765 177 HD2 PHE 26 HD2 PHE 26 -2.789 -9.897 -8.462 178 HE1 PHE 26 HE1 PHE 26 1.136 -6.933 -8.387 179 HE2 PHE 26 HE2 PHE 26 -0.971 -10.227 -10.086 180 HZ PHE 26 HZ PHE 26 0.996 -8.745 -10.050 181 HA PRO 27 HA PRO 27 -7.234 -5.367 -5.088 182 1HB PRO 27 1HB PRO 27 -9.602 -6.609 -5.559 183 2HB PRO 27 2HB PRO 27 -8.910 -5.410 -6.659 184 1HG PRO 27 1HG PRO 27 -8.850 -8.398 -6.832 185 2HG PRO 27 2HG PRO 27 -9.145 -7.209 -8.114 186 1HD PRO 27 1HD PRO 27 -6.748 -8.423 -7.776 187 2HD PRO 27 2HD PRO 27 -6.900 -6.765 -8.391 188 H GLY 28 H GLY 28 -9.231 -6.207 -3.568 189 1HA GLY 28 1HA GLY 28 -7.937 -7.858 -1.615 190 2HA GLY 28 2HA GLY 28 -9.549 -7.169 -1.494 191 H GLY 29 H GLY 29 -8.611 -9.854 -0.788 192 1HA GLY 29 1HA GLY 29 -9.759 -11.883 -0.779 193 2HA GLY 29 2HA GLY 29 -10.714 -11.320 -2.143 194 H THR 30 H THR 30 -8.085 -10.573 -3.493 195 HA THR 30 HA THR 30 -7.839 -12.892 -5.070 196 HB THR 30 HB THR 30 -6.402 -10.300 -4.895 197 HG1 THR 30 HG1 THR 30 -7.796 -11.836 -6.797 198 1HG2 THR 30 1HG2 THR 30 -4.532 -11.867 -4.937 199 2HG2 THR 30 2HG2 THR 30 -4.681 -11.041 -6.488 200 3HG2 THR 30 3HG2 THR 30 -5.247 -12.702 -6.315 201 HA PRO 31 HA PRO 31 -5.107 -15.366 -2.641 202 1HB PRO 31 1HB PRO 31 -4.247 -17.030 -4.607 203 2HB PRO 31 2HB PRO 31 -5.859 -17.141 -3.892 204 1HG PRO 31 1HG PRO 31 -5.010 -15.859 -6.461 205 2HG PRO 31 2HG PRO 31 -6.426 -16.875 -6.131 206 1HD PRO 31 1HD PRO 31 -6.572 -14.175 -6.279 207 2HD PRO 31 2HD PRO 31 -7.620 -15.131 -5.210 208 H GLY 32 H GLY 32 -3.267 -14.444 -1.946 209 1HA GLY 32 1HA GLY 32 -0.960 -14.111 -1.978 210 2HA GLY 32 2HA GLY 32 -0.959 -14.455 -3.702 211 H ARG 33 H ARG 33 -3.187 -12.129 -2.421 212 HA ARG 33 HA ARG 33 -2.635 -10.095 -4.141 213 1HB ARG 33 1HB ARG 33 -4.539 -10.065 -2.609 214 2HB ARG 33 2HB ARG 33 -3.456 -9.821 -1.245 215 1HG ARG 33 1HG ARG 33 -2.725 -7.682 -2.412 216 2HG ARG 33 2HG ARG 33 -4.132 -7.910 -3.453 217 1HD ARG 33 1HD ARG 33 -5.498 -8.073 -1.320 218 2HD ARG 33 2HD ARG 33 -4.066 -7.483 -0.477 219 HE ARG 33 HE ARG 33 -4.628 -5.745 -2.598 220 1HH1 ARG 33 1HH1 ARG 33 -5.981 -6.744 0.451 221 2HH1 ARG 33 2HH1 ARG 33 -6.772 -5.231 0.744 222 1HH2 ARG 33 1HH2 ARG 33 -5.665 -3.748 -2.223 223 2HH2 ARG 33 2HH2 ARG 33 -6.592 -3.528 -0.778 224 H TRP 34 H TRP 34 -1.558 -9.833 -0.760 225 HA TRP 34 HA TRP 34 0.356 -7.865 -1.227 226 1HB TRP 34 1HB TRP 34 0.270 -9.951 0.963 227 2HB TRP 34 2HB TRP 34 1.296 -8.520 0.977 228 HD1 TRP 34 HD1 TRP 34 -1.709 -9.609 2.530 229 HE1 TRP 34 HE1 TRP 34 -3.279 -7.661 3.136 230 HE3 TRP 34 HE3 TRP 34 0.366 -5.958 -0.386 231 HZ2 TRP 34 HZ2 TRP 34 -3.596 -4.937 2.465 232 HZ3 TRP 34 HZ3 TRP 34 -0.631 -3.709 -0.347 233 HH2 TRP 34 HH2 TRP 34 -2.571 -3.211 1.049 234 H GLU 35 H GLU 35 0.560 -11.344 -1.506 235 HA GLU 35 HA GLU 35 3.379 -11.554 -1.594 236 1HB GLU 35 1HB GLU 35 1.082 -13.297 -2.304 237 2HB GLU 35 2HB GLU 35 2.634 -13.690 -3.031 238 1HG GLU 35 1HG GLU 35 3.630 -13.756 -0.771 239 2HG GLU 35 2HG GLU 35 2.027 -13.480 -0.091 240 H LYS 36 H LYS 36 0.957 -10.783 -3.987 241 HA LYS 36 HA LYS 36 2.802 -11.017 -6.204 242 1HB LYS 36 1HB LYS 36 -0.014 -9.921 -6.085 243 2HB LYS 36 2HB LYS 36 0.911 -10.181 -7.558 244 1HG LYS 36 1HG LYS 36 0.581 -12.414 -7.536 245 2HG LYS 36 2HG LYS 36 0.615 -12.513 -5.774 246 1HD LYS 36 1HD LYS 36 -1.620 -12.069 -5.570 247 2HD LYS 36 2HD LYS 36 -1.674 -11.107 -7.049 248 1HE LYS 36 1HE LYS 36 -1.169 -14.055 -7.171 249 2HE LYS 36 2HE LYS 36 -2.811 -13.439 -6.998 250 1HZ LYS 36 1HZ LYS 36 -2.302 -12.029 -9.008 251 2HZ LYS 36 2HZ LYS 36 -2.455 -13.690 -9.288 252 3HZ LYS 36 3HZ LYS 36 -0.921 -12.981 -9.229 253 H ILE 37 H ILE 37 1.152 -8.412 -4.449 254 HA ILE 37 HA ILE 37 2.130 -6.265 -5.954 255 HB ILE 37 HB ILE 37 1.349 -6.379 -3.041 256 1HG1 ILE 37 1HG1 ILE 37 -0.168 -5.253 -5.399 257 2HG1 ILE 37 2HG1 ILE 37 -0.385 -6.897 -4.809 258 1HG2 ILE 37 1HG2 ILE 37 2.491 -4.217 -4.647 259 2HG2 ILE 37 2HG2 ILE 37 0.997 -3.787 -3.816 260 3HG2 ILE 37 3HG2 ILE 37 2.375 -4.392 -2.896 261 1HD1 ILE 37 1HD1 ILE 37 -2.041 -5.950 -3.628 262 2HD1 ILE 37 2HD1 ILE 37 -0.732 -5.526 -2.524 263 3HD1 ILE 37 3HD1 ILE 37 -1.317 -4.344 -3.695 264 H ALA 38 H ALA 38 3.522 -8.015 -3.234 265 HA ALA 38 HA ALA 38 5.679 -6.261 -2.739 266 1HB ALA 38 1HB ALA 38 6.032 -9.164 -2.244 267 2HB ALA 38 2HB ALA 38 6.371 -7.784 -1.198 268 3HB ALA 38 3HB ALA 38 4.712 -8.346 -1.407 269 H HIS 39 H HIS 39 5.474 -9.253 -4.657 270 HA HIS 39 HA HIS 39 8.136 -9.299 -5.521 271 1HB HIS 39 1HB HIS 39 7.015 -11.288 -5.919 272 2HB HIS 39 2HB HIS 39 5.582 -10.477 -6.544 273 HD1 HIS 39 HD1 HIS 39 8.456 -12.332 -7.632 274 HD2 HIS 39 HD2 HIS 39 6.145 -9.265 -9.216 275 HE1 HIS 39 HE1 HIS 39 8.933 -12.338 -10.101 276 H GLU 40 H GLU 40 5.395 -7.453 -6.613 277 HA GLU 40 HA GLU 40 6.619 -6.645 -9.092 278 1HB GLU 40 1HB GLU 40 4.134 -5.768 -7.628 279 2HB GLU 40 2HB GLU 40 4.672 -4.997 -9.113 280 1HG GLU 40 1HG GLU 40 4.086 -7.936 -8.861 281 2HG GLU 40 2HG GLU 40 2.922 -6.736 -9.419 282 H LEU 41 H LEU 41 5.858 -5.045 -6.005 283 HA LEU 41 HA LEU 41 7.148 -2.606 -6.694 284 1HB LEU 41 1HB LEU 41 6.370 -3.746 -4.015 285 2HB LEU 41 2HB LEU 41 6.951 -2.102 -4.272 286 HG LEU 41 HG LEU 41 4.362 -3.302 -5.241 287 1HD1 LEU 41 1HD1 LEU 41 3.561 -2.489 -3.342 288 2HD1 LEU 41 2HD1 LEU 41 4.014 -0.871 -3.876 289 3HD1 LEU 41 3HD1 LEU 41 5.140 -1.828 -2.914 290 1HD2 LEU 41 1HD2 LEU 41 5.084 -1.936 -7.024 291 2HD2 LEU 41 2HD2 LEU 41 5.692 -0.694 -5.930 292 3HD2 LEU 41 3HD2 LEU 41 3.955 -0.953 -6.092 293 H GLY 42 H GLY 42 8.239 -5.627 -5.416 294 1HA GLY 42 1HA GLY 42 10.480 -6.320 -5.357 295 2HA GLY 42 2HA GLY 42 10.980 -4.638 -5.465 296 H ARG 43 H ARG 43 8.568 -5.506 -3.146 297 HA ARG 43 HA ARG 43 10.586 -5.308 -1.006 298 1HB ARG 43 1HB ARG 43 7.794 -4.172 -1.131 299 2HB ARG 43 2HB ARG 43 8.701 -4.311 0.369 300 1HG ARG 43 1HG ARG 43 10.415 -2.838 -0.488 301 2HG ARG 43 2HG ARG 43 9.596 -2.757 -2.049 302 1HD ARG 43 1HD ARG 43 7.603 -1.823 -0.831 303 2HD ARG 43 2HD ARG 43 8.627 -1.703 0.600 304 HE ARG 43 HE ARG 43 8.586 0.075 -1.611 305 1HH1 ARG 43 1HH1 ARG 43 10.719 -1.393 0.716 306 2HH1 ARG 43 2HH1 ARG 43 11.873 -0.102 0.668 307 1HH2 ARG 43 1HH2 ARG 43 10.098 1.781 -1.684 308 2HH2 ARG 43 2HH2 ARG 43 11.518 1.704 -0.697 309 H SER 44 H SER 44 9.308 -6.006 1.177 310 HA SER 44 HA SER 44 8.622 -8.796 0.694 311 1HB SER 44 1HB SER 44 9.443 -7.217 3.113 312 2HB SER 44 2HB SER 44 8.672 -8.792 3.304 313 HG SER 44 HG SER 44 10.700 -9.406 3.109 314 H VAL 45 H VAL 45 6.711 -9.760 1.308 315 HA VAL 45 HA VAL 45 4.325 -8.619 0.924 316 HB VAL 45 HB VAL 45 4.997 -10.743 2.954 317 1HG1 VAL 45 1HG1 VAL 45 2.639 -11.261 3.113 318 2HG1 VAL 45 2HG1 VAL 45 2.914 -9.589 3.605 319 3HG1 VAL 45 3HG1 VAL 45 2.246 -9.942 2.011 320 1HG2 VAL 45 1HG2 VAL 45 3.644 -12.035 1.093 321 2HG2 VAL 45 2HG2 VAL 45 4.184 -10.687 0.091 322 3HG2 VAL 45 3HG2 VAL 45 5.367 -11.706 0.911 323 H THR 46 H THR 46 5.218 -9.234 4.308 324 HA THR 46 HA THR 46 3.438 -7.572 5.529 325 HB THR 46 HB THR 46 4.864 -9.051 6.819 326 HG1 THR 46 HG1 THR 46 5.677 -7.258 8.346 327 1HG2 THR 46 1HG2 THR 46 7.105 -7.144 6.133 328 2HG2 THR 46 2HG2 THR 46 6.932 -8.797 5.541 329 3HG2 THR 46 3HG2 THR 46 7.214 -8.499 7.256 330 H ASP 47 H ASP 47 6.578 -6.679 4.176 331 HA ASP 47 HA ASP 47 6.780 -4.076 5.102 332 1HB ASP 47 1HB ASP 47 8.397 -5.524 3.632 333 2HB ASP 47 2HB ASP 47 7.581 -4.729 2.289 334 H VAL 48 H VAL 48 5.083 -5.297 2.242 335 HA VAL 48 HA VAL 48 4.229 -2.727 1.349 336 HB VAL 48 HB VAL 48 2.663 -5.144 0.612 337 1HG1 VAL 48 1HG1 VAL 48 3.122 -2.532 -0.395 338 2HG1 VAL 48 2HG1 VAL 48 3.714 -3.690 -1.589 339 3HG1 VAL 48 3HG1 VAL 48 2.045 -3.778 -1.024 340 1HG2 VAL 48 1HG2 VAL 48 4.605 -5.543 -1.107 341 2HG2 VAL 48 2HG2 VAL 48 5.593 -4.822 0.163 342 3HG2 VAL 48 3HG2 VAL 48 4.657 -6.279 0.495 343 H THR 49 H THR 49 2.260 -5.447 2.558 344 HA THR 49 HA THR 49 -0.102 -4.136 2.967 345 HB THR 49 HB THR 49 -0.355 -6.368 3.388 346 HG1 THR 49 HG1 THR 49 0.138 -5.801 6.095 347 1HG2 THR 49 1HG2 THR 49 1.282 -7.486 5.142 348 2HG2 THR 49 2HG2 THR 49 2.328 -6.151 4.660 349 3HG2 THR 49 3HG2 THR 49 1.741 -7.293 3.451 350 H THR 50 H THR 50 2.675 -4.259 5.156 351 HA THR 50 HA THR 50 1.497 -2.952 7.342 352 HB THR 50 HB THR 50 4.390 -3.029 6.470 353 HG1 THR 50 HG1 THR 50 3.290 -4.419 8.661 354 1HG2 THR 50 1HG2 THR 50 3.051 -1.724 8.767 355 2HG2 THR 50 2HG2 THR 50 4.552 -1.305 7.943 356 3HG2 THR 50 3HG2 THR 50 4.528 -2.621 9.116 357 H LYS 51 H LYS 51 2.806 -1.748 4.351 358 HA LYS 51 HA LYS 51 2.880 1.001 5.271 359 1HB LYS 51 1HB LYS 51 4.587 0.418 3.720 360 2HB LYS 51 2HB LYS 51 3.432 -0.315 2.615 361 1HG LYS 51 1HG LYS 51 4.227 1.832 1.786 362 2HG LYS 51 2HG LYS 51 2.493 1.871 2.115 363 1HD LYS 51 1HD LYS 51 3.208 3.865 3.044 364 2HD LYS 51 2HD LYS 51 3.223 2.784 4.439 365 1HE LYS 51 1HE LYS 51 5.598 2.478 4.242 366 2HE LYS 51 2HE LYS 51 5.633 3.378 2.727 367 1HZ LYS 51 1HZ LYS 51 6.048 4.406 5.219 368 2HZ LYS 51 2HZ LYS 51 4.466 4.883 4.859 369 3HZ LYS 51 3HZ LYS 51 5.732 5.298 3.817 370 H ALA 52 H ALA 52 0.981 -0.948 2.989 371 HA ALA 52 HA ALA 52 -0.736 1.097 2.124 372 1HB ALA 52 1HB ALA 52 -1.085 -1.888 2.249 373 2HB ALA 52 2HB ALA 52 -2.279 -0.807 1.528 374 3HB ALA 52 3HB ALA 52 -0.651 -0.899 0.855 375 H LYS 53 H LYS 53 -1.062 -1.250 4.766 376 HA LYS 53 HA LYS 53 -3.615 -0.764 5.617 377 1HB LYS 53 1HB LYS 53 -2.781 -1.296 7.924 378 2HB LYS 53 2HB LYS 53 -2.311 -2.457 6.689 379 1HG LYS 53 1HG LYS 53 -0.322 -2.229 7.752 380 2HG LYS 53 2HG LYS 53 -0.160 -0.919 6.581 381 1HD LYS 53 1HD LYS 53 0.424 0.167 8.518 382 2HD LYS 53 2HD LYS 53 -1.311 0.490 8.475 383 1HE LYS 53 1HE LYS 53 -1.614 -1.547 9.920 384 2HE LYS 53 2HE LYS 53 0.139 -1.593 10.099 385 1HZ LYS 53 1HZ LYS 53 -1.379 0.854 10.741 386 2HZ LYS 53 2HZ LYS 53 0.150 0.381 11.287 387 3HZ LYS 53 3HZ LYS 53 -1.235 -0.394 11.874 388 H GLN 54 H GLN 54 -0.764 1.229 6.129 389 HA GLN 54 HA GLN 54 -1.950 3.012 7.991 390 1HB GLN 54 1HB GLN 54 0.392 3.427 6.125 391 2HB GLN 54 2HB GLN 54 -0.037 4.487 7.460 392 1HG GLN 54 1HG GLN 54 0.173 2.316 8.884 393 2HG GLN 54 2HG GLN 54 1.131 1.748 7.517 394 1HE2 GLN 54 1HE2 GLN 54 2.248 1.996 9.998 395 2HE2 GLN 54 2HE2 GLN 54 3.386 3.296 10.000 396 H LEU 55 H LEU 55 -1.530 3.101 4.474 397 HA LEU 55 HA LEU 55 -2.557 5.673 4.041 398 1HB LEU 55 1HB LEU 55 -2.731 3.287 2.208 399 2HB LEU 55 2HB LEU 55 -2.889 4.978 1.739 400 HG LEU 55 HG LEU 55 -0.366 3.830 2.916 401 1HD1 LEU 55 1HD1 LEU 55 -0.182 2.681 1.004 402 2HD1 LEU 55 2HD1 LEU 55 0.167 4.249 0.278 403 3HD1 LEU 55 3HD1 LEU 55 -1.469 3.594 0.216 404 1HD2 LEU 55 1HD2 LEU 55 -0.763 6.300 3.007 405 2HD2 LEU 55 2HD2 LEU 55 -0.802 6.298 1.244 406 3HD2 LEU 55 3HD2 LEU 55 0.667 5.815 2.095 407 H LYS 56 H LYS 56 -4.159 2.520 4.170 408 HA LYS 56 HA LYS 56 -6.694 3.171 3.339 409 1HB LYS 56 1HB LYS 56 -5.809 1.296 5.532 410 2HB LYS 56 2HB LYS 56 -7.472 1.393 4.969 411 1HG LYS 56 1HG LYS 56 -6.848 0.656 2.783 412 2HG LYS 56 2HG LYS 56 -5.132 0.757 3.187 413 1HD LYS 56 1HD LYS 56 -5.545 -0.972 4.958 414 2HD LYS 56 2HD LYS 56 -7.175 -1.158 4.306 415 1HE LYS 56 1HE LYS 56 -4.651 -1.519 2.698 416 2HE LYS 56 2HE LYS 56 -5.530 -2.838 3.468 417 1HZ LYS 56 1HZ LYS 56 -6.832 -0.996 1.555 418 2HZ LYS 56 2HZ LYS 56 -7.363 -2.516 2.073 419 3HZ LYS 56 3HZ LYS 56 -6.026 -2.393 1.043 420 H ASP 57 H ASP 57 -5.348 3.536 6.605 421 HA ASP 57 HA ASP 57 -7.743 4.725 7.644 422 1HB ASP 57 1HB ASP 57 -6.048 3.416 8.995 423 2HB ASP 57 2HB ASP 57 -4.987 4.816 8.874 424 H SER 58 H SER 58 -4.578 5.915 6.597 425 HA SER 58 HA SER 58 -4.569 8.506 7.341 426 1HB SER 58 1HB SER 58 -2.920 7.280 5.808 427 2HB SER 58 2HB SER 58 -3.969 7.769 4.478 428 HG SER 58 HG SER 58 -2.292 9.276 4.822 429 H VAL 59 H VAL 59 -6.299 7.257 4.493 430 HA VAL 59 HA VAL 59 -7.517 9.789 3.916 431 HB VAL 59 HB VAL 59 -8.831 8.559 2.242 432 1HG1 VAL 59 1HG1 VAL 59 -6.079 7.460 1.958 433 2HG1 VAL 59 2HG1 VAL 59 -7.092 8.291 0.775 434 3HG1 VAL 59 3HG1 VAL 59 -6.288 9.208 2.050 435 1HG2 VAL 59 1HG2 VAL 59 -8.441 6.152 1.910 436 2HG2 VAL 59 2HG2 VAL 59 -7.481 6.116 3.389 437 3HG2 VAL 59 3HG2 VAL 59 -9.202 6.495 3.464 438 H THR 60 H THR 60 -9.973 9.870 3.649 439 HA THR 60 HA THR 60 -11.322 8.518 5.886 440 HB THR 60 HB THR 60 -12.524 10.575 6.449 441 HG1 THR 60 HG1 THR 60 -12.552 11.916 4.775 442 1HG2 THR 60 1HG2 THR 60 -9.582 10.367 6.636 443 2HG2 THR 60 2HG2 THR 60 -10.791 10.524 7.910 444 3HG2 THR 60 3HG2 THR 60 -10.273 11.946 7.006 445 H CYS 61 H CYS 61 -11.739 10.431 2.923 446 HA CYS 61 HA CYS 61 -13.373 10.454 1.337 447 1HB CYS 61 1HB CYS 61 -12.396 8.105 1.151 448 2HB CYS 61 2HB CYS 61 -13.807 7.555 2.046 449 HG CYS 61 HG CYS 61 -14.938 7.015 -0.214 450 H SER 62 H SER 62 -14.229 11.344 3.840 451 HA SER 62 HA SER 62 -16.900 10.192 4.189 452 1HB SER 62 1HB SER 62 -16.942 11.737 6.217 453 2HB SER 62 2HB SER 62 -15.769 10.422 6.268 454 HG SER 62 HG SER 62 -14.936 12.852 5.187 455 HA PRO 63 HA PRO 63 -18.983 13.492 2.181 456 1HB PRO 63 1HB PRO 63 -21.250 13.665 3.665 457 2HB PRO 63 2HB PRO 63 -20.930 12.330 2.552 458 1HG PRO 63 1HG PRO 63 -20.585 12.443 5.524 459 2HG PRO 63 2HG PRO 63 -21.261 11.143 4.525 460 1HD PRO 63 1HD PRO 63 -18.730 11.078 5.483 461 2HD PRO 63 2HD PRO 63 -19.181 10.349 3.929 462 H GLY 64 H GLY 64 -17.661 13.828 5.222 463 1HA GLY 64 1HA GLY 64 -17.083 16.439 5.247 464 2HA GLY 64 2HA GLY 64 -18.756 16.462 5.787 465 H MET 65 H MET 65 -16.969 17.503 7.469 466 HA MET 65 HA MET 65 -15.536 15.998 9.223 467 1HB MET 65 1HB MET 65 -17.314 18.373 9.760 468 2HB MET 65 2HB MET 65 -16.274 17.673 10.993 469 1HG MET 65 1HG MET 65 -15.346 18.798 8.360 470 2HG MET 65 2HG MET 65 -15.266 19.622 9.916 471 1HE MET 65 1HE MET 65 -13.662 17.853 7.368 472 2HE MET 65 2HE MET 65 -12.189 17.134 8.019 473 3HE MET 65 3HE MET 65 -13.702 16.227 8.050 474 H VAL 66 H VAL 66 -16.090 15.341 11.487 475 HA VAL 66 HA VAL 66 -18.524 13.724 11.427 476 HB VAL 66 HB VAL 66 -16.353 12.644 11.974 477 1HG1 VAL 66 1HG1 VAL 66 -15.855 13.158 14.584 478 2HG1 VAL 66 2HG1 VAL 66 -14.998 13.919 13.242 479 3HG1 VAL 66 3HG1 VAL 66 -16.342 14.756 14.020 480 1HG2 VAL 66 1HG2 VAL 66 -17.946 12.412 14.465 481 2HG2 VAL 66 2HG2 VAL 66 -18.765 12.072 12.940 482 3HG2 VAL 66 3HG2 VAL 66 -17.329 11.154 13.393 483 H SER 67 H SER 67 -20.002 13.675 13.165 484 HA SER 67 HA SER 67 -20.106 16.198 14.669 485 1HB SER 67 1HB SER 67 -22.021 15.746 13.177 486 2HB SER 67 2HB SER 67 -22.336 14.245 14.047 487 HG SER 67 HG SER 67 -22.420 16.869 15.130 488 H GLY 68 H GLY 68 -21.209 16.032 16.843 489 1HA GLY 68 1HA GLY 68 -21.764 14.421 18.662 490 2HA GLY 68 2HA GLY 68 -20.280 13.589 18.223 491 HA PRO 69 HA PRO 69 -19.250 16.345 21.763 492 1HB PRO 69 1HB PRO 69 -17.594 14.554 22.955 493 2HB PRO 69 2HB PRO 69 -19.344 14.561 23.208 494 1HG PRO 69 1HG PRO 69 -17.698 12.838 21.394 495 2HG PRO 69 2HG PRO 69 -19.053 12.383 22.445 496 1HD PRO 69 1HD PRO 69 -19.340 12.760 19.779 497 2HD PRO 69 2HD PRO 69 -20.633 13.123 20.939 498 H SER 70 H SER 70 -17.390 17.535 22.083 499 HA SER 70 HA SER 70 -15.254 17.086 20.114 500 1HB SER 70 1HB SER 70 -14.814 19.418 20.159 501 2HB SER 70 2HB SER 70 -16.572 19.277 20.132 502 HG SER 70 HG SER 70 -16.664 19.848 22.234 503 H SER 71 H SER 71 -13.047 17.767 20.813 504 HA SER 71 HA SER 71 -12.177 16.283 22.995 505 1HB SER 71 1HB SER 71 -10.900 18.511 21.422 506 2HB SER 71 2HB SER 71 -10.058 17.740 22.766 507 HG SER 71 HG SER 71 -10.816 15.724 21.473 508 H GLY 72 H GLY 72 -11.867 16.681 25.119 509 1HA GLY 72 1HA GLY 72 -12.888 19.236 26.137 510 2HA GLY 72 2HA GLY 72 -12.719 17.752 27.063 Start of MODEL 10 1 1H GLY 1 1H GLY 1 27.945 -18.906 8.083 2 1HA GLY 1 1HA GLY 1 26.571 -17.132 6.159 3 2HA GLY 1 2HA GLY 1 25.769 -17.924 7.508 4 H SER 2 H SER 2 26.757 -15.027 6.489 5 HA SER 2 HA SER 2 27.174 -14.060 9.236 6 1HB SER 2 1HB SER 2 29.277 -14.097 7.721 7 2HB SER 2 2HB SER 2 28.517 -12.740 6.890 8 HG SER 2 HG SER 2 28.683 -12.655 9.677 9 H SER 3 H SER 3 24.997 -13.475 9.378 10 HA SER 3 HA SER 3 23.771 -11.781 7.411 11 1HB SER 3 1HB SER 3 21.836 -11.819 8.814 12 2HB SER 3 2HB SER 3 22.543 -13.433 8.889 13 HG SER 3 HG SER 3 22.472 -13.101 10.965 14 H GLY 4 H GLY 4 22.806 -9.657 8.011 15 1HA GLY 4 1HA GLY 4 24.228 -8.183 10.087 16 2HA GLY 4 2HA GLY 4 24.507 -7.662 8.432 17 H SER 5 H SER 5 22.205 -7.615 7.203 18 HA SER 5 HA SER 5 20.419 -6.012 8.914 19 1HB SER 5 1HB SER 5 21.802 -4.743 7.169 20 2HB SER 5 2HB SER 5 20.795 -5.537 5.959 21 HG SER 5 HG SER 5 19.222 -4.230 6.438 22 H SER 6 H SER 6 20.471 -7.703 5.772 23 HA SER 6 HA SER 6 18.773 -8.749 4.629 24 1HB SER 6 1HB SER 6 19.682 -10.405 6.356 25 2HB SER 6 2HB SER 6 18.227 -10.062 7.291 26 HG SER 6 HG SER 6 16.995 -10.958 5.730 27 H GLY 7 H GLY 7 17.903 -6.252 5.455 28 1HA GLY 7 1HA GLY 7 15.116 -6.791 6.278 29 2HA GLY 7 2HA GLY 7 15.973 -5.305 6.660 30 H ALA 8 H ALA 8 15.133 -3.680 5.546 31 HA ALA 8 HA ALA 8 15.116 -3.713 2.686 32 1HB ALA 8 1HB ALA 8 12.996 -4.931 3.282 33 2HB ALA 8 2HB ALA 8 12.418 -3.422 3.988 34 3HB ALA 8 3HB ALA 8 12.791 -3.504 2.266 35 HA PRO 9 HA PRO 9 15.683 0.586 3.430 36 1HB PRO 9 1HB PRO 9 15.053 1.554 0.973 37 2HB PRO 9 2HB PRO 9 16.557 0.689 1.308 38 1HG PRO 9 1HG PRO 9 14.024 -0.323 0.074 39 2HG PRO 9 2HG PRO 9 15.703 -0.630 -0.406 40 1HD PRO 9 1HD PRO 9 14.249 -2.409 1.027 41 2HD PRO 9 2HD PRO 9 16.006 -2.238 1.218 42 H GLU 10 H GLU 10 14.458 2.745 2.713 43 HA GLU 10 HA GLU 10 11.842 2.540 3.912 44 1HB GLU 10 1HB GLU 10 11.836 4.970 3.859 45 2HB GLU 10 2HB GLU 10 13.369 4.386 4.491 46 1HG GLU 10 1HG GLU 10 14.226 4.646 2.085 47 2HG GLU 10 2HG GLU 10 12.785 5.630 1.834 48 H TRP 11 H TRP 11 10.215 4.262 2.802 49 HA TRP 11 HA TRP 11 9.715 3.133 0.149 50 1HB TRP 11 1HB TRP 11 7.981 4.493 2.193 51 2HB TRP 11 2HB TRP 11 7.449 4.341 0.521 52 HD1 TRP 11 HD1 TRP 11 8.141 2.246 3.646 53 HE1 TRP 11 HE1 TRP 11 7.073 -0.075 3.334 54 HE3 TRP 11 HE3 TRP 11 6.739 2.650 -1.254 55 HZ2 TRP 11 HZ2 TRP 11 5.805 -1.541 1.282 56 HZ3 TRP 11 HZ3 TRP 11 5.604 0.744 -2.317 57 HH2 TRP 11 HH2 TRP 11 5.148 -1.308 -1.074 58 H THR 12 H THR 12 9.800 4.298 -1.677 59 HA THR 12 HA THR 12 10.241 7.203 -1.427 60 HB THR 12 HB THR 12 11.626 7.105 -3.440 61 HG1 THR 12 HG1 THR 12 11.452 4.271 -3.273 62 1HG2 THR 12 1HG2 THR 12 13.535 5.796 -2.504 63 2HG2 THR 12 2HG2 THR 12 12.442 5.179 -1.264 64 3HG2 THR 12 3HG2 THR 12 12.796 6.905 -1.349 65 H GLU 13 H GLU 13 9.353 8.554 -3.028 66 HA GLU 13 HA GLU 13 6.809 8.312 -3.767 67 1HB GLU 13 1HB GLU 13 9.109 9.652 -5.086 68 2HB GLU 13 2HB GLU 13 7.617 9.536 -6.007 69 1HG GLU 13 1HG GLU 13 6.456 10.896 -4.565 70 2HG GLU 13 2HG GLU 13 7.531 10.556 -3.210 71 H GLU 14 H GLU 14 9.507 6.925 -5.591 72 HA GLU 14 HA GLU 14 8.032 5.939 -7.761 73 1HB GLU 14 1HB GLU 14 10.518 6.101 -7.658 74 2HB GLU 14 2HB GLU 14 10.526 4.731 -6.556 75 1HG GLU 14 1HG GLU 14 9.203 3.555 -8.475 76 2HG GLU 14 2HG GLU 14 9.929 4.815 -9.471 77 H ASP 15 H ASP 15 8.957 4.384 -4.704 78 HA ASP 15 HA ASP 15 7.608 1.937 -5.309 79 1HB ASP 15 1HB ASP 15 9.066 3.072 -2.985 80 2HB ASP 15 2HB ASP 15 7.893 1.803 -2.640 81 H LEU 16 H LEU 16 6.729 4.941 -3.793 82 HA LEU 16 HA LEU 16 4.329 3.927 -2.575 83 1HB LEU 16 1HB LEU 16 5.568 6.618 -2.931 84 2HB LEU 16 2HB LEU 16 3.870 6.504 -2.473 85 HG LEU 16 HG LEU 16 6.082 5.196 -0.903 86 1HD1 LEU 16 1HD1 LEU 16 5.212 8.003 -0.992 87 2HD1 LEU 16 2HD1 LEU 16 6.729 7.297 -0.434 88 3HD1 LEU 16 3HD1 LEU 16 5.315 7.291 0.619 89 1HD2 LEU 16 1HD2 LEU 16 4.121 4.193 -0.238 90 2HD2 LEU 16 2HD2 LEU 16 3.152 5.637 -0.538 91 3HD2 LEU 16 3HD2 LEU 16 4.204 5.558 0.877 92 H SER 17 H SER 17 5.213 5.413 -5.606 93 HA SER 17 HA SER 17 2.489 5.928 -6.401 94 1HB SER 17 1HB SER 17 4.761 7.094 -7.151 95 2HB SER 17 2HB SER 17 4.704 5.849 -8.399 96 HG SER 17 HG SER 17 3.527 7.403 -9.294 97 H GLN 18 H GLN 18 4.901 3.435 -6.902 98 HA GLN 18 HA GLN 18 3.591 2.081 -9.013 99 1HB GLN 18 1HB GLN 18 5.707 1.323 -7.029 100 2HB GLN 18 2HB GLN 18 5.006 0.100 -8.079 101 1HG GLN 18 1HG GLN 18 6.035 2.614 -9.292 102 2HG GLN 18 2HG GLN 18 7.182 1.387 -8.757 103 1HE2 GLN 18 1HE2 GLN 18 4.348 1.907 -10.787 104 2HE2 GLN 18 2HE2 GLN 18 4.724 0.677 -11.940 105 H LEU 19 H LEU 19 3.485 1.735 -5.497 106 HA LEU 19 HA LEU 19 2.081 -0.590 -5.190 107 1HB LEU 19 1HB LEU 19 2.878 0.717 -3.316 108 2HB LEU 19 2HB LEU 19 1.720 1.994 -3.682 109 HG LEU 19 HG LEU 19 -0.119 0.442 -3.123 110 1HD1 LEU 19 1HD1 LEU 19 0.744 -1.584 -1.706 111 2HD1 LEU 19 2HD1 LEU 19 2.171 -1.423 -2.729 112 3HD1 LEU 19 3HD1 LEU 19 0.591 -1.712 -3.459 113 1HD2 LEU 19 1HD2 LEU 19 1.976 0.843 -0.992 114 2HD2 LEU 19 2HD2 LEU 19 0.295 0.407 -0.686 115 3HD2 LEU 19 3HD2 LEU 19 0.683 1.960 -1.428 116 H THR 20 H THR 20 0.674 2.637 -5.720 117 HA THR 20 HA THR 20 -2.004 1.973 -5.699 118 HB THR 20 HB THR 20 -0.706 3.990 -7.541 119 HG1 THR 20 HG1 THR 20 -0.450 4.024 -5.052 120 1HG2 THR 20 1HG2 THR 20 -2.765 4.515 -8.208 121 2HG2 THR 20 2HG2 THR 20 -3.263 4.769 -6.535 122 3HG2 THR 20 3HG2 THR 20 -3.401 3.169 -7.264 123 H ARG 21 H ARG 21 0.366 1.506 -8.241 124 HA ARG 21 HA ARG 21 -1.544 0.804 -10.255 125 1HB ARG 21 1HB ARG 21 1.389 0.098 -10.232 126 2HB ARG 21 2HB ARG 21 0.334 0.273 -11.628 127 1HG ARG 21 1HG ARG 21 0.088 2.729 -10.684 128 2HG ARG 21 2HG ARG 21 1.660 2.347 -9.977 129 1HD ARG 21 1HD ARG 21 2.138 3.335 -12.057 130 2HD ARG 21 2HD ARG 21 2.356 1.603 -12.303 131 HE ARG 21 HE ARG 21 -0.195 1.976 -13.062 132 1HH1 ARG 21 1HH1 ARG 21 2.760 3.624 -13.879 133 2HH1 ARG 21 2HH1 ARG 21 2.230 4.060 -15.470 134 1HH2 ARG 21 1HH2 ARG 21 -0.904 2.544 -15.154 135 2HH2 ARG 21 2HH2 ARG 21 0.146 3.446 -16.194 136 H SER 22 H SER 22 0.651 -1.020 -8.145 137 HA SER 22 HA SER 22 0.023 -3.577 -9.127 138 1HB SER 22 1HB SER 22 0.877 -4.356 -6.867 139 2HB SER 22 2HB SER 22 1.984 -3.336 -7.786 140 HG SER 22 HG SER 22 0.311 -2.540 -5.636 141 H MET 23 H MET 23 -1.285 -1.773 -6.356 142 HA MET 23 HA MET 23 -2.998 -3.582 -5.265 143 1HB MET 23 1HB MET 23 -3.421 -0.634 -5.749 144 2HB MET 23 2HB MET 23 -4.514 -1.609 -4.775 145 1HG MET 23 1HG MET 23 -2.438 -2.239 -3.419 146 2HG MET 23 2HG MET 23 -1.662 -0.881 -4.231 147 1HE MET 23 1HE MET 23 -2.395 -1.181 -0.771 148 2HE MET 23 2HE MET 23 -4.103 -0.807 -0.545 149 3HE MET 23 3HE MET 23 -3.627 -2.200 -1.517 150 H VAL 24 H VAL 24 -3.442 -1.791 -8.259 151 HA VAL 24 HA VAL 24 -6.148 -2.524 -8.689 152 HB VAL 24 HB VAL 24 -4.043 -1.703 -10.695 153 1HG1 VAL 24 1HG1 VAL 24 -7.013 -1.500 -11.072 154 2HG1 VAL 24 2HG1 VAL 24 -5.732 -1.403 -12.282 155 3HG1 VAL 24 3HG1 VAL 24 -6.122 -2.951 -11.532 156 1HG2 VAL 24 1HG2 VAL 24 -5.142 -0.218 -8.652 157 2HG2 VAL 24 2HG2 VAL 24 -4.395 0.427 -10.114 158 3HG2 VAL 24 3HG2 VAL 24 -6.143 0.204 -10.041 159 H LYS 25 H LYS 25 -3.065 -3.907 -9.741 160 HA LYS 25 HA LYS 25 -4.186 -5.916 -11.395 161 1HB LYS 25 1HB LYS 25 -1.735 -5.006 -11.224 162 2HB LYS 25 2HB LYS 25 -1.551 -6.266 -10.011 163 1HG LYS 25 1HG LYS 25 -2.071 -7.970 -11.598 164 2HG LYS 25 2HG LYS 25 -2.524 -6.772 -12.813 165 1HD LYS 25 1HD LYS 25 -0.256 -6.005 -12.987 166 2HD LYS 25 2HD LYS 25 0.238 -7.014 -11.625 167 1HE LYS 25 1HE LYS 25 -0.648 -8.967 -13.090 168 2HE LYS 25 2HE LYS 25 -0.491 -7.816 -14.416 169 1HZ LYS 25 1HZ LYS 25 1.814 -7.624 -14.042 170 2HZ LYS 25 2HZ LYS 25 1.483 -9.282 -14.004 171 3HZ LYS 25 3HZ LYS 25 1.734 -8.437 -12.560 172 H PHE 26 H PHE 26 -3.660 -5.656 -7.979 173 HA PHE 26 HA PHE 26 -4.819 -8.332 -7.638 174 1HB PHE 26 1HB PHE 26 -2.683 -7.340 -5.769 175 2HB PHE 26 2HB PHE 26 -3.259 -8.986 -6.014 176 HD1 PHE 26 HD1 PHE 26 -0.707 -6.683 -6.745 177 HD2 PHE 26 HD2 PHE 26 -2.834 -9.981 -8.391 178 HE1 PHE 26 HE1 PHE 26 1.145 -7.090 -8.312 179 HE2 PHE 26 HE2 PHE 26 -0.985 -10.395 -9.961 180 HZ PHE 26 HZ PHE 26 1.008 -8.949 -9.922 181 HA PRO 27 HA PRO 27 -7.240 -5.225 -5.263 182 1HB PRO 27 1HB PRO 27 -9.631 -6.419 -5.738 183 2HB PRO 27 2HB PRO 27 -8.885 -5.280 -6.865 184 1HG PRO 27 1HG PRO 27 -8.904 -8.273 -6.931 185 2HG PRO 27 2HG PRO 27 -9.141 -7.123 -8.260 186 1HD PRO 27 1HD PRO 27 -6.785 -8.388 -7.830 187 2HD PRO 27 2HD PRO 27 -6.880 -6.749 -8.506 188 H GLY 28 H GLY 28 -9.210 -5.879 -3.693 189 1HA GLY 28 1HA GLY 28 -8.023 -7.531 -1.689 190 2HA GLY 28 2HA GLY 28 -9.607 -6.774 -1.607 191 H GLY 29 H GLY 29 -8.771 -9.472 -0.804 192 1HA GLY 29 1HA GLY 29 -9.998 -11.453 -0.730 193 2HA GLY 29 2HA GLY 29 -10.927 -10.900 -2.115 194 H THR 30 H THR 30 -8.130 -10.312 -3.345 195 HA THR 30 HA THR 30 -8.008 -12.710 -4.873 196 HB THR 30 HB THR 30 -6.517 -10.142 -4.834 197 HG1 THR 30 HG1 THR 30 -8.137 -10.273 -6.315 198 1HG2 THR 30 1HG2 THR 30 -5.423 -12.638 -6.137 199 2HG2 THR 30 2HG2 THR 30 -4.682 -11.748 -4.807 200 3HG2 THR 30 3HG2 THR 30 -4.824 -11.001 -6.398 201 HA PRO 31 HA PRO 31 -5.318 -15.105 -2.320 202 1HB PRO 31 1HB PRO 31 -4.502 -16.891 -4.195 203 2HB PRO 31 2HB PRO 31 -6.113 -16.929 -3.469 204 1HG PRO 31 1HG PRO 31 -5.250 -15.808 -6.107 205 2HG PRO 31 2HG PRO 31 -6.685 -16.774 -5.717 206 1HD PRO 31 1HD PRO 31 -6.777 -14.084 -6.011 207 2HD PRO 31 2HD PRO 31 -7.838 -14.958 -4.889 208 H GLY 32 H GLY 32 -3.408 -14.334 -1.666 209 1HA GLY 32 1HA GLY 32 -1.109 -14.016 -1.735 210 2HA GLY 32 2HA GLY 32 -1.133 -14.430 -3.443 211 H ARG 33 H ARG 33 -3.311 -12.003 -2.299 212 HA ARG 33 HA ARG 33 -2.674 -10.058 -4.092 213 1HB ARG 33 1HB ARG 33 -4.616 -9.913 -2.625 214 2HB ARG 33 2HB ARG 33 -3.571 -9.656 -1.233 215 1HG ARG 33 1HG ARG 33 -2.736 -7.582 -2.485 216 2HG ARG 33 2HG ARG 33 -4.161 -7.796 -3.504 217 1HD ARG 33 1HD ARG 33 -5.489 -7.864 -1.323 218 2HD ARG 33 2HD ARG 33 -4.031 -7.235 -0.557 219 HE ARG 33 HE ARG 33 -4.590 -5.594 -2.725 220 1HH1 ARG 33 1HH1 ARG 33 -6.070 -6.501 0.293 221 2HH1 ARG 33 2HH1 ARG 33 -6.895 -4.990 0.493 222 1HH2 ARG 33 1HH2 ARG 33 -5.671 -3.601 -2.473 223 2HH2 ARG 33 2HH2 ARG 33 -6.668 -3.342 -1.082 224 H TRP 34 H TRP 34 -1.670 -9.688 -0.697 225 HA TRP 34 HA TRP 34 0.282 -7.767 -1.176 226 1HB TRP 34 1HB TRP 34 0.138 -9.804 1.057 227 2HB TRP 34 2HB TRP 34 1.179 -8.383 1.057 228 HD1 TRP 34 HD1 TRP 34 -1.830 -9.391 2.626 229 HE1 TRP 34 HE1 TRP 34 -3.400 -7.419 3.148 230 HE3 TRP 34 HE3 TRP 34 0.253 -5.863 -0.433 231 HZ2 TRP 34 HZ2 TRP 34 -3.714 -4.725 2.366 232 HZ3 TRP 34 HZ3 TRP 34 -0.743 -3.613 -0.487 233 HH2 TRP 34 HH2 TRP 34 -2.685 -3.058 0.883 234 H GLU 35 H GLU 35 0.459 -11.262 -1.332 235 HA GLU 35 HA GLU 35 3.272 -11.503 -1.387 236 1HB GLU 35 1HB GLU 35 0.965 -13.238 -2.086 237 2HB GLU 35 2HB GLU 35 2.521 -13.666 -2.781 238 1HG GLU 35 1HG GLU 35 3.488 -13.694 -0.511 239 2HG GLU 35 2HG GLU 35 1.885 -13.370 0.145 240 H LYS 36 H LYS 36 0.887 -10.811 -3.850 241 HA LYS 36 HA LYS 36 2.769 -11.106 -6.025 242 1HB LYS 36 1HB LYS 36 -0.034 -9.970 -5.997 243 2HB LYS 36 2HB LYS 36 0.913 -10.317 -7.438 244 1HG LYS 36 1HG LYS 36 0.535 -12.538 -7.318 245 2HG LYS 36 2HG LYS 36 0.542 -12.556 -5.553 246 1HD LYS 36 1HD LYS 36 -1.686 -12.045 -5.404 247 2HD LYS 36 2HD LYS 36 -1.701 -11.177 -6.941 248 1HE LYS 36 1HE LYS 36 -1.336 -14.158 -6.763 249 2HE LYS 36 2HE LYS 36 -2.926 -13.402 -6.867 250 1HZ LYS 36 1HZ LYS 36 -0.868 -13.683 -8.903 251 2HZ LYS 36 2HZ LYS 36 -1.708 -12.215 -8.897 252 3HZ LYS 36 3HZ LYS 36 -2.553 -13.671 -9.060 253 H ILE 37 H ILE 37 1.120 -8.443 -4.360 254 HA ILE 37 HA ILE 37 2.131 -6.344 -5.913 255 HB ILE 37 HB ILE 37 1.304 -6.380 -3.011 256 1HG1 ILE 37 1HG1 ILE 37 -0.147 -5.295 -5.430 257 2HG1 ILE 37 2HG1 ILE 37 -0.412 -6.910 -4.781 258 1HG2 ILE 37 1HG2 ILE 37 2.187 -4.133 -4.780 259 2HG2 ILE 37 2HG2 ILE 37 1.038 -3.853 -3.472 260 3HG2 ILE 37 3HG2 ILE 37 2.644 -4.488 -3.114 261 1HD1 ILE 37 1HD1 ILE 37 -0.779 -5.463 -2.557 262 2HD1 ILE 37 2HD1 ILE 37 -1.294 -4.293 -3.772 263 3HD1 ILE 37 3HD1 ILE 37 -2.073 -5.872 -3.683 264 H ALA 38 H ALA 38 3.470 -8.017 -3.114 265 HA ALA 38 HA ALA 38 5.640 -6.267 -2.657 266 1HB ALA 38 1HB ALA 38 4.638 -8.248 -1.232 267 2HB ALA 38 2HB ALA 38 5.908 -9.164 -2.045 268 3HB ALA 38 3HB ALA 38 6.324 -7.757 -1.067 269 H HIS 39 H HIS 39 5.392 -9.299 -4.500 270 HA HIS 39 HA HIS 39 8.080 -9.407 -5.315 271 1HB HIS 39 1HB HIS 39 6.718 -11.373 -5.504 272 2HB HIS 39 2HB HIS 39 5.572 -10.546 -6.555 273 HD1 HIS 39 HD1 HIS 39 9.022 -12.041 -6.566 274 HD2 HIS 39 HD2 HIS 39 6.237 -10.509 -9.241 275 HE1 HIS 39 HE1 HIS 39 9.893 -12.625 -8.851 276 H GLU 40 H GLU 40 5.405 -7.523 -6.425 277 HA GLU 40 HA GLU 40 6.616 -6.865 -8.967 278 1HB GLU 40 1HB GLU 40 4.144 -5.893 -7.542 279 2HB GLU 40 2HB GLU 40 4.688 -5.204 -9.065 280 1HG GLU 40 1HG GLU 40 4.091 -8.124 -8.680 281 2HG GLU 40 2HG GLU 40 2.910 -6.948 -9.255 282 H LEU 41 H LEU 41 5.864 -5.121 -5.956 283 HA LEU 41 HA LEU 41 7.186 -2.731 -6.747 284 1HB LEU 41 1HB LEU 41 6.380 -3.747 -4.027 285 2HB LEU 41 2HB LEU 41 6.995 -2.126 -4.344 286 HG LEU 41 HG LEU 41 4.390 -3.311 -5.293 287 1HD1 LEU 41 1HD1 LEU 41 5.210 -1.598 -3.078 288 2HD1 LEU 41 2HD1 LEU 41 3.729 -2.528 -3.309 289 3HD1 LEU 41 3HD1 LEU 41 3.890 -0.931 -4.038 290 1HD2 LEU 41 1HD2 LEU 41 5.208 -1.998 -7.100 291 2HD2 LEU 41 2HD2 LEU 41 5.736 -0.714 -6.012 292 3HD2 LEU 41 3HD2 LEU 41 4.014 -1.019 -6.246 293 H GLY 42 H GLY 42 8.267 -5.723 -5.453 294 1HA GLY 42 1HA GLY 42 10.526 -6.390 -5.410 295 2HA GLY 42 2HA GLY 42 11.002 -4.699 -5.414 296 H ARG 43 H ARG 43 8.539 -5.312 -3.192 297 HA ARG 43 HA ARG 43 10.508 -5.388 -1.003 298 1HB ARG 43 1HB ARG 43 7.723 -4.216 -1.066 299 2HB ARG 43 2HB ARG 43 8.730 -4.311 0.372 300 1HG ARG 43 1HG ARG 43 10.342 -2.819 -0.581 301 2HG ARG 43 2HG ARG 43 9.505 -2.838 -2.134 302 1HD ARG 43 1HD ARG 43 7.527 -1.838 -1.021 303 2HD ARG 43 2HD ARG 43 8.464 -1.725 0.468 304 HE ARG 43 HE ARG 43 8.566 0.055 -1.739 305 1HH1 ARG 43 1HH1 ARG 43 10.554 -1.435 0.700 306 2HH1 ARG 43 2HH1 ARG 43 11.721 -0.153 0.717 307 1HH2 ARG 43 1HH2 ARG 43 10.094 1.748 -1.725 308 2HH2 ARG 43 2HH2 ARG 43 11.457 1.657 -0.662 309 H SER 44 H SER 44 9.085 -6.078 1.123 310 HA SER 44 HA SER 44 8.324 -8.833 0.529 311 1HB SER 44 1HB SER 44 9.240 -7.377 2.977 312 2HB SER 44 2HB SER 44 8.296 -8.854 3.172 313 HG SER 44 HG SER 44 10.679 -9.054 3.034 314 H VAL 45 H VAL 45 6.461 -9.788 1.633 315 HA VAL 45 HA VAL 45 4.070 -8.586 1.055 316 HB VAL 45 HB VAL 45 4.735 -10.673 3.118 317 1HG1 VAL 45 1HG1 VAL 45 2.774 -9.526 3.946 318 2HG1 VAL 45 2HG1 VAL 45 1.999 -9.650 2.365 319 3HG1 VAL 45 3HG1 VAL 45 2.314 -11.105 3.310 320 1HG2 VAL 45 1HG2 VAL 45 4.878 -11.809 1.177 321 2HG2 VAL 45 2HG2 VAL 45 3.118 -11.836 1.289 322 3HG2 VAL 45 3HG2 VAL 45 3.920 -10.624 0.290 323 H THR 46 H THR 46 5.005 -9.086 4.449 324 HA THR 46 HA THR 46 3.277 -7.326 5.619 325 HB THR 46 HB THR 46 4.670 -8.811 6.947 326 HG1 THR 46 HG1 THR 46 3.877 -6.982 8.029 327 1HG2 THR 46 1HG2 THR 46 6.970 -6.964 6.297 328 2HG2 THR 46 2HG2 THR 46 6.738 -8.566 5.597 329 3HG2 THR 46 3HG2 THR 46 7.021 -8.393 7.328 330 H ASP 47 H ASP 47 6.414 -6.595 4.177 331 HA ASP 47 HA ASP 47 6.716 -3.963 5.016 332 1HB ASP 47 1HB ASP 47 7.705 -5.574 2.728 333 2HB ASP 47 2HB ASP 47 7.823 -3.824 2.569 334 H VAL 48 H VAL 48 4.942 -5.253 2.237 335 HA VAL 48 HA VAL 48 4.171 -2.684 1.247 336 HB VAL 48 HB VAL 48 2.563 -5.097 0.578 337 1HG1 VAL 48 1HG1 VAL 48 2.912 -2.528 -0.458 338 2HG1 VAL 48 2HG1 VAL 48 3.695 -3.608 -1.612 339 3HG1 VAL 48 3HG1 VAL 48 2.003 -3.856 -1.179 340 1HG2 VAL 48 1HG2 VAL 48 4.637 -5.355 -1.163 341 2HG2 VAL 48 2HG2 VAL 48 5.482 -4.935 0.327 342 3HG2 VAL 48 3HG2 VAL 48 4.414 -6.338 0.285 343 H THR 49 H THR 49 2.156 -5.323 2.554 344 HA THR 49 HA THR 49 -0.183 -3.943 2.910 345 HB THR 49 HB THR 49 -0.497 -6.155 3.385 346 HG1 THR 49 HG1 THR 49 0.021 -5.294 6.045 347 1HG2 THR 49 1HG2 THR 49 2.242 -5.986 4.400 348 2HG2 THR 49 2HG2 THR 49 1.421 -7.309 3.571 349 3HG2 THR 49 3HG2 THR 49 1.216 -7.096 5.309 350 H THR 50 H THR 50 2.483 -4.230 5.246 351 HA THR 50 HA THR 50 1.352 -2.781 7.334 352 HB THR 50 HB THR 50 4.264 -2.957 6.537 353 HG1 THR 50 HG1 THR 50 4.284 -4.773 7.699 354 1HG2 THR 50 1HG2 THR 50 2.895 -1.585 8.749 355 2HG2 THR 50 2HG2 THR 50 4.501 -1.320 8.070 356 3HG2 THR 50 3HG2 THR 50 4.239 -2.618 9.234 357 H LYS 51 H LYS 51 2.740 -1.696 4.341 358 HA LYS 51 HA LYS 51 2.938 1.064 5.208 359 1HB LYS 51 1HB LYS 51 4.621 0.308 3.674 360 2HB LYS 51 2HB LYS 51 3.408 -0.288 2.550 361 1HG LYS 51 1HG LYS 51 4.553 1.891 1.956 362 2HG LYS 51 2HG LYS 51 2.789 1.876 1.894 363 1HD LYS 51 1HD LYS 51 3.400 3.893 2.975 364 2HD LYS 51 2HD LYS 51 2.824 2.809 4.243 365 1HE LYS 51 1HE LYS 51 5.729 2.816 3.607 366 2HE LYS 51 2HE LYS 51 5.070 4.189 4.495 367 1HZ LYS 51 1HZ LYS 51 4.982 1.332 5.291 368 2HZ LYS 51 2HZ LYS 51 4.128 2.554 6.090 369 3HZ LYS 51 3HZ LYS 51 5.819 2.585 6.060 370 H ALA 52 H ALA 52 1.032 -0.777 2.830 371 HA ALA 52 HA ALA 52 -0.600 1.315 1.965 372 1HB ALA 52 1HB ALA 52 -0.494 -1.528 1.651 373 2HB ALA 52 2HB ALA 52 -2.163 -1.020 1.910 374 3HB ALA 52 3HB ALA 52 -1.221 -0.316 0.596 375 H LYS 53 H LYS 53 -1.044 -0.976 4.634 376 HA LYS 53 HA LYS 53 -3.604 -0.350 5.426 377 1HB LYS 53 1HB LYS 53 -2.881 -1.000 7.721 378 2HB LYS 53 2HB LYS 53 -2.397 -2.146 6.478 379 1HG LYS 53 1HG LYS 53 -0.460 -2.018 7.659 380 2HG LYS 53 2HG LYS 53 -0.184 -0.711 6.505 381 1HD LYS 53 1HD LYS 53 0.392 0.194 8.595 382 2HD LYS 53 2HD LYS 53 -1.220 0.828 8.257 383 1HE LYS 53 1HE LYS 53 -2.233 -0.690 9.761 384 2HE LYS 53 2HE LYS 53 -0.766 -1.659 9.887 385 1HZ LYS 53 1HZ LYS 53 0.257 0.468 10.840 386 2HZ LYS 53 2HZ LYS 53 -0.783 -0.425 11.831 387 3HZ LYS 53 3HZ LYS 53 -1.338 0.982 11.072 388 H GLN 54 H GLN 54 -0.662 1.485 5.888 389 HA GLN 54 HA GLN 54 -1.777 3.319 7.782 390 1HB GLN 54 1HB GLN 54 0.690 3.535 6.049 391 2HB GLN 54 2HB GLN 54 0.275 4.638 7.354 392 1HG GLN 54 1HG GLN 54 0.227 2.476 8.799 393 2HG GLN 54 2HG GLN 54 1.199 1.807 7.489 394 1HE2 GLN 54 1HE2 GLN 54 3.260 1.825 7.990 395 2HE2 GLN 54 2HE2 GLN 54 4.099 3.081 8.827 396 H LEU 55 H LEU 55 -1.726 3.059 4.336 397 HA LEU 55 HA LEU 55 -2.458 5.836 3.917 398 1HB LEU 55 1HB LEU 55 -2.473 3.631 1.874 399 2HB LEU 55 2HB LEU 55 -2.363 5.368 1.597 400 HG LEU 55 HG LEU 55 -0.212 3.685 2.878 401 1HD1 LEU 55 1HD1 LEU 55 -0.395 3.041 0.588 402 2HD1 LEU 55 2HD1 LEU 55 0.994 4.117 0.735 403 3HD1 LEU 55 3HD1 LEU 55 -0.522 4.722 0.067 404 1HD2 LEU 55 1HD2 LEU 55 -0.479 6.215 3.398 405 2HD2 LEU 55 2HD2 LEU 55 0.137 6.436 1.760 406 3HD2 LEU 55 3HD2 LEU 55 1.107 5.581 2.959 407 H LYS 56 H LYS 56 -3.958 2.647 3.822 408 HA LYS 56 HA LYS 56 -6.476 3.561 2.843 409 1HB LYS 56 1HB LYS 56 -7.274 1.344 3.309 410 2HB LYS 56 2HB LYS 56 -5.650 1.212 2.648 411 1HG LYS 56 1HG LYS 56 -5.460 -0.248 4.371 412 2HG LYS 56 2HG LYS 56 -4.999 1.233 5.213 413 1HD LYS 56 1HD LYS 56 -6.554 0.272 6.651 414 2HD LYS 56 2HD LYS 56 -7.520 1.440 5.746 415 1HE LYS 56 1HE LYS 56 -8.756 -0.599 5.858 416 2HE LYS 56 2HE LYS 56 -8.173 -0.414 4.205 417 1HZ LYS 56 1HZ LYS 56 -7.064 -2.189 6.307 418 2HZ LYS 56 2HZ LYS 56 -6.304 -1.907 4.823 419 3HZ LYS 56 3HZ LYS 56 -7.821 -2.655 4.868 420 H ASP 57 H ASP 57 -5.109 3.012 6.040 421 HA ASP 57 HA ASP 57 -7.568 3.423 7.441 422 1HB ASP 57 1HB ASP 57 -4.680 3.285 8.275 423 2HB ASP 57 2HB ASP 57 -5.940 3.725 9.424 424 H SER 58 H SER 58 -4.656 5.416 6.964 425 HA SER 58 HA SER 58 -5.610 7.688 8.312 426 1HB SER 58 1HB SER 58 -3.257 7.491 7.858 427 2HB SER 58 2HB SER 58 -3.545 7.398 6.121 428 HG SER 58 HG SER 58 -3.910 9.513 6.046 429 H VAL 59 H VAL 59 -7.768 7.990 7.635 430 HA VAL 59 HA VAL 59 -7.992 9.369 5.047 431 HB VAL 59 HB VAL 59 -10.233 8.411 4.715 432 1HG1 VAL 59 1HG1 VAL 59 -9.095 5.871 4.735 433 2HG1 VAL 59 2HG1 VAL 59 -9.068 7.035 3.409 434 3HG1 VAL 59 3HG1 VAL 59 -7.732 6.976 4.559 435 1HG2 VAL 59 1HG2 VAL 59 -10.881 6.415 6.053 436 2HG2 VAL 59 2HG2 VAL 59 -9.539 6.763 7.143 437 3HG2 VAL 59 3HG2 VAL 59 -10.863 7.916 6.979 438 H THR 60 H THR 60 -10.425 10.339 5.043 439 HA THR 60 HA THR 60 -10.716 11.779 7.600 440 HB THR 60 HB THR 60 -11.394 13.762 6.401 441 HG1 THR 60 HG1 THR 60 -11.025 12.192 4.048 442 1HG2 THR 60 1HG2 THR 60 -8.958 13.328 6.725 443 2HG2 THR 60 2HG2 THR 60 -9.319 14.370 5.348 444 3HG2 THR 60 3HG2 THR 60 -8.903 12.676 5.087 445 H CYS 61 H CYS 61 -12.301 10.293 8.315 446 HA CYS 61 HA CYS 61 -14.923 10.718 7.065 447 1HB CYS 61 1HB CYS 61 -13.909 8.457 6.475 448 2HB CYS 61 2HB CYS 61 -14.075 8.045 8.178 449 HG CYS 61 HG CYS 61 -16.202 7.446 5.940 450 H SER 62 H SER 62 -16.665 10.803 8.468 451 HA SER 62 HA SER 62 -16.386 11.927 10.924 452 1HB SER 62 1HB SER 62 -18.681 11.417 11.352 453 2HB SER 62 2HB SER 62 -18.530 11.618 9.606 454 HG SER 62 HG SER 62 -19.054 9.598 9.341 455 HA PRO 63 HA PRO 63 -14.930 8.901 13.757 456 1HB PRO 63 1HB PRO 63 -16.034 9.826 16.059 457 2HB PRO 63 2HB PRO 63 -14.677 10.625 15.256 458 1HG PRO 63 1HG PRO 63 -17.592 11.300 15.171 459 2HG PRO 63 2HG PRO 63 -16.197 12.383 15.329 460 1HD PRO 63 1HD PRO 63 -17.490 12.007 12.980 461 2HD PRO 63 2HD PRO 63 -15.748 12.341 13.069 462 H GLY 64 H GLY 64 -18.347 9.507 13.419 463 1HA GLY 64 1HA GLY 64 -19.069 6.807 13.533 464 2HA GLY 64 2HA GLY 64 -19.328 7.492 15.131 465 H MET 65 H MET 65 -21.067 6.546 12.732 466 HA MET 65 HA MET 65 -22.808 8.923 12.660 467 1HB MET 65 1HB MET 65 -21.777 7.803 10.494 468 2HB MET 65 2HB MET 65 -23.125 6.694 10.700 469 1HG MET 65 1HG MET 65 -24.711 8.440 10.478 470 2HG MET 65 2HG MET 65 -23.459 9.676 10.585 471 1HE MET 65 1HE MET 65 -23.650 10.996 7.963 472 2HE MET 65 2HE MET 65 -22.276 10.613 9.001 473 3HE MET 65 3HE MET 65 -22.198 10.271 7.272 474 H VAL 66 H VAL 66 -24.475 8.748 13.996 475 HA VAL 66 HA VAL 66 -25.335 6.305 15.142 476 HB VAL 66 HB VAL 66 -27.265 7.648 16.002 477 1HG1 VAL 66 1HG1 VAL 66 -25.389 9.461 16.945 478 2HG1 VAL 66 2HG1 VAL 66 -25.784 7.892 17.648 479 3HG1 VAL 66 3HG1 VAL 66 -24.441 8.038 16.513 480 1HG2 VAL 66 1HG2 VAL 66 -26.002 10.143 15.032 481 2HG2 VAL 66 2HG2 VAL 66 -26.950 9.222 13.865 482 3HG2 VAL 66 3HG2 VAL 66 -27.697 9.782 15.361 483 H SER 67 H SER 67 -25.875 7.591 12.108 484 HA SER 67 HA SER 67 -28.573 6.593 11.774 485 1HB SER 67 1HB SER 67 -27.780 8.643 10.599 486 2HB SER 67 2HB SER 67 -26.655 7.643 9.680 487 HG SER 67 HG SER 67 -28.356 6.640 8.692 488 H GLY 68 H GLY 68 -29.050 5.113 9.911 489 1HA GLY 68 1HA GLY 68 -27.312 3.437 8.631 490 2HA GLY 68 2HA GLY 68 -27.501 2.713 10.222 491 HA PRO 69 HA PRO 69 -30.957 1.455 7.227 492 1HB PRO 69 1HB PRO 69 -30.210 -1.132 6.881 493 2HB PRO 69 2HB PRO 69 -29.657 0.177 5.829 494 1HG PRO 69 1HG PRO 69 -28.248 -1.134 8.123 495 2HG PRO 69 2HG PRO 69 -27.609 -0.668 6.536 496 1HD PRO 69 1HD PRO 69 -27.210 0.822 8.761 497 2HD PRO 69 2HD PRO 69 -27.357 1.541 7.145 498 H SER 70 H SER 70 -32.203 1.729 9.164 499 HA SER 70 HA SER 70 -33.524 1.023 10.876 500 1HB SER 70 1HB SER 70 -34.122 -0.687 9.110 501 2HB SER 70 2HB SER 70 -32.969 -1.778 9.880 502 HG SER 70 HG SER 70 -34.388 -2.170 11.372 503 H SER 71 H SER 71 -30.899 1.525 11.566 504 HA SER 71 HA SER 71 -30.682 0.051 14.005 505 1HB SER 71 1HB SER 71 -28.423 -0.867 13.603 506 2HB SER 71 2HB SER 71 -29.618 -1.576 12.516 507 HG SER 71 HG SER 71 -27.442 -0.658 11.710 508 H GLY 72 H GLY 72 -29.246 1.005 15.489 509 1HA GLY 72 1HA GLY 72 -27.802 3.396 14.591 510 2HA GLY 72 2HA GLY 72 -29.029 3.586 15.835 Start of MODEL 11 1 1H GLY 1 1H GLY 1 30.104 -15.564 12.772 2 1HA GLY 1 1HA GLY 1 30.502 -15.177 10.194 3 2HA GLY 1 2HA GLY 1 29.052 -16.167 10.110 4 H SER 2 H SER 2 28.367 -14.111 8.970 5 HA SER 2 HA SER 2 27.632 -11.961 10.805 6 1HB SER 2 1HB SER 2 28.660 -11.538 8.507 7 2HB SER 2 2HB SER 2 27.112 -12.047 7.832 8 HG SER 2 HG SER 2 27.751 -9.659 8.686 9 H SER 3 H SER 3 25.695 -11.870 11.711 10 HA SER 3 HA SER 3 23.688 -13.787 11.256 11 1HB SER 3 1HB SER 3 22.317 -12.466 12.777 12 2HB SER 3 2HB SER 3 23.970 -12.545 13.387 13 HG SER 3 HG SER 3 23.093 -10.400 11.775 14 H GLY 4 H GLY 4 24.172 -10.534 10.011 15 1HA GLY 4 1HA GLY 4 23.257 -9.523 8.151 16 2HA GLY 4 2HA GLY 4 22.439 -11.037 7.792 17 H SER 5 H SER 5 22.254 -8.027 9.585 18 HA SER 5 HA SER 5 19.470 -8.556 10.298 19 1HB SER 5 1HB SER 5 21.519 -6.547 11.155 20 2HB SER 5 2HB SER 5 19.809 -6.170 11.363 21 HG SER 5 HG SER 5 19.709 -8.306 12.436 22 H SER 6 H SER 6 19.871 -8.341 7.575 23 HA SER 6 HA SER 6 19.079 -5.630 6.827 24 1HB SER 6 1HB SER 6 20.835 -6.817 5.511 25 2HB SER 6 2HB SER 6 19.626 -8.012 5.040 26 HG SER 6 HG SER 6 19.275 -5.244 4.577 27 H GLY 7 H GLY 7 17.050 -5.072 6.327 28 1HA GLY 7 1HA GLY 7 15.071 -7.248 6.034 29 2HA GLY 7 2HA GLY 7 14.732 -5.755 6.896 30 H ALA 8 H ALA 8 14.983 -3.726 5.555 31 HA ALA 8 HA ALA 8 14.857 -3.811 2.742 32 1HB ALA 8 1HB ALA 8 12.154 -3.381 3.990 33 2HB ALA 8 2HB ALA 8 12.554 -3.528 2.279 34 3HB ALA 8 3HB ALA 8 12.677 -4.933 3.337 35 HA PRO 9 HA PRO 9 15.564 0.477 3.412 36 1HB PRO 9 1HB PRO 9 14.916 1.446 0.960 37 2HB PRO 9 2HB PRO 9 16.395 0.530 1.271 38 1HG PRO 9 1HG PRO 9 13.802 -0.401 0.100 39 2HG PRO 9 2HG PRO 9 15.459 -0.772 -0.413 40 1HD PRO 9 1HD PRO 9 13.973 -2.485 1.067 41 2HD PRO 9 2HD PRO 9 15.739 -2.375 1.219 42 H GLU 10 H GLU 10 14.354 2.658 2.519 43 HA GLU 10 HA GLU 10 11.765 2.561 3.829 44 1HB GLU 10 1HB GLU 10 11.873 4.925 3.927 45 2HB GLU 10 2HB GLU 10 13.502 4.354 4.260 46 1HG GLU 10 1HG GLU 10 14.140 4.832 1.949 47 2HG GLU 10 2HG GLU 10 12.509 5.416 1.624 48 H TRP 11 H TRP 11 10.191 4.335 2.719 49 HA TRP 11 HA TRP 11 9.655 3.226 0.061 50 1HB TRP 11 1HB TRP 11 7.928 4.588 2.116 51 2HB TRP 11 2HB TRP 11 7.391 4.397 0.450 52 HD1 TRP 11 HD1 TRP 11 8.149 2.358 3.602 53 HE1 TRP 11 HE1 TRP 11 7.088 0.027 3.346 54 HE3 TRP 11 HE3 TRP 11 6.640 2.685 -1.271 55 HZ2 TRP 11 HZ2 TRP 11 5.783 -1.474 1.343 56 HZ3 TRP 11 HZ3 TRP 11 5.493 0.757 -2.282 57 HH2 TRP 11 HH2 TRP 11 5.075 -1.279 -1.001 58 H THR 12 H THR 12 9.678 4.432 -1.748 59 HA THR 12 HA THR 12 10.119 7.332 -1.449 60 HB THR 12 HB THR 12 11.507 7.255 -3.491 61 HG1 THR 12 HG1 THR 12 10.584 5.256 -4.302 62 1HG2 THR 12 1HG2 THR 12 12.918 7.261 -1.690 63 2HG2 THR 12 2HG2 THR 12 13.351 5.698 -2.382 64 3HG2 THR 12 3HG2 THR 12 12.240 5.780 -1.015 65 H GLU 13 H GLU 13 9.207 8.695 -3.013 66 HA GLU 13 HA GLU 13 6.691 8.425 -3.806 67 1HB GLU 13 1HB GLU 13 8.991 9.817 -5.069 68 2HB GLU 13 2HB GLU 13 7.519 9.685 -6.022 69 1HG GLU 13 1HG GLU 13 6.295 10.987 -4.562 70 2HG GLU 13 2HG GLU 13 7.393 10.688 -3.215 71 H GLU 14 H GLU 14 9.428 6.981 -5.489 72 HA GLU 14 HA GLU 14 8.032 6.047 -7.748 73 1HB GLU 14 1HB GLU 14 10.488 6.168 -7.627 74 2HB GLU 14 2HB GLU 14 10.489 4.885 -6.426 75 1HG GLU 14 1HG GLU 14 10.998 3.743 -8.351 76 2HG GLU 14 2HG GLU 14 9.253 3.518 -8.242 77 H ASP 15 H ASP 15 8.908 4.394 -4.721 78 HA ASP 15 HA ASP 15 7.503 2.003 -5.381 79 1HB ASP 15 1HB ASP 15 8.959 3.061 -3.026 80 2HB ASP 15 2HB ASP 15 7.741 1.832 -2.700 81 H LEU 16 H LEU 16 6.710 4.928 -3.609 82 HA LEU 16 HA LEU 16 4.271 3.962 -2.504 83 1HB LEU 16 1HB LEU 16 5.546 6.637 -2.835 84 2HB LEU 16 2HB LEU 16 3.841 6.549 -2.397 85 HG LEU 16 HG LEU 16 6.017 5.202 -0.810 86 1HD1 LEU 16 1HD1 LEU 16 5.291 7.277 0.730 87 2HD1 LEU 16 2HD1 LEU 16 5.142 8.018 -0.863 88 3HD1 LEU 16 3HD1 LEU 16 6.678 7.311 -0.360 89 1HD2 LEU 16 1HD2 LEU 16 3.090 5.685 -0.464 90 2HD2 LEU 16 2HD2 LEU 16 4.132 5.557 0.953 91 3HD2 LEU 16 3HD2 LEU 16 4.027 4.216 -0.189 92 H SER 17 H SER 17 5.185 5.314 -5.561 93 HA SER 17 HA SER 17 2.470 5.929 -6.350 94 1HB SER 17 1HB SER 17 5.156 6.119 -7.679 95 2HB SER 17 2HB SER 17 3.684 6.236 -8.643 96 HG SER 17 HG SER 17 4.656 8.250 -7.711 97 H GLN 18 H GLN 18 4.777 3.339 -6.739 98 HA GLN 18 HA GLN 18 3.420 1.999 -8.852 99 1HB GLN 18 1HB GLN 18 5.534 1.173 -6.879 100 2HB GLN 18 2HB GLN 18 4.828 0.014 -7.998 101 1HG GLN 18 1HG GLN 18 5.468 1.898 -9.752 102 2HG GLN 18 2HG GLN 18 6.663 2.279 -8.513 103 1HE2 GLN 18 1HE2 GLN 18 5.299 -0.741 -9.786 104 2HE2 GLN 18 2HE2 GLN 18 6.821 -1.472 -10.154 105 H LEU 19 H LEU 19 3.400 1.691 -5.329 106 HA LEU 19 HA LEU 19 1.964 -0.602 -4.956 107 1HB LEU 19 1HB LEU 19 2.843 0.776 -3.140 108 2HB LEU 19 2HB LEU 19 1.617 1.999 -3.469 109 HG LEU 19 HG LEU 19 -0.128 0.371 -2.821 110 1HD1 LEU 19 1HD1 LEU 19 0.706 -1.632 -1.506 111 2HD1 LEU 19 2HD1 LEU 19 2.265 -1.364 -2.284 112 3HD1 LEU 19 3HD1 LEU 19 0.842 -1.724 -3.262 113 1HD2 LEU 19 1HD2 LEU 19 0.581 0.275 -0.360 114 2HD2 LEU 19 2HD2 LEU 19 0.456 1.861 -1.120 115 3HD2 LEU 19 3HD2 LEU 19 2.039 1.117 -0.885 116 H THR 20 H THR 20 0.640 2.626 -5.626 117 HA THR 20 HA THR 20 -2.071 1.956 -5.518 118 HB THR 20 HB THR 20 -0.807 4.044 -7.303 119 HG1 THR 20 HG1 THR 20 -1.702 4.197 -4.599 120 1HG2 THR 20 1HG2 THR 20 -3.225 3.431 -7.707 121 2HG2 THR 20 2HG2 THR 20 -2.927 5.122 -7.306 122 3HG2 THR 20 3HG2 THR 20 -3.562 4.024 -6.082 123 H ARG 21 H ARG 21 0.303 1.528 -8.048 124 HA ARG 21 HA ARG 21 -1.618 0.911 -10.092 125 1HB ARG 21 1HB ARG 21 1.360 0.393 -10.007 126 2HB ARG 21 2HB ARG 21 0.337 0.272 -11.432 127 1HG ARG 21 1HG ARG 21 0.365 2.847 -9.958 128 2HG ARG 21 2HG ARG 21 1.779 2.421 -10.924 129 1HD ARG 21 1HD ARG 21 0.365 3.667 -12.348 130 2HD ARG 21 2HD ARG 21 0.185 1.981 -12.833 131 HE ARG 21 HE ARG 21 -1.783 2.728 -10.921 132 1HH1 ARG 21 1HH1 ARG 21 -0.934 2.995 -14.287 133 2HH1 ARG 21 2HH1 ARG 21 -2.572 3.180 -14.820 134 1HH2 ARG 21 1HH2 ARG 21 -3.944 2.970 -11.611 135 2HH2 ARG 21 2HH2 ARG 21 -4.283 3.166 -13.298 136 H SER 22 H SER 22 0.536 -0.948 -7.984 137 HA SER 22 HA SER 22 -0.082 -3.484 -9.075 138 1HB SER 22 1HB SER 22 0.845 -4.340 -6.879 139 2HB SER 22 2HB SER 22 1.919 -3.271 -7.781 140 HG SER 22 HG SER 22 1.861 -2.667 -5.604 141 H MET 23 H MET 23 -1.323 -1.747 -6.234 142 HA MET 23 HA MET 23 -2.996 -3.584 -5.128 143 1HB MET 23 1HB MET 23 -3.362 -0.624 -5.531 144 2HB MET 23 2HB MET 23 -4.540 -1.586 -4.647 145 1HG MET 23 1HG MET 23 -2.715 -2.306 -3.123 146 2HG MET 23 2HG MET 23 -1.643 -1.183 -3.955 147 1HE MET 23 1HE MET 23 -2.813 -1.084 -0.504 148 2HE MET 23 2HE MET 23 -4.443 -0.415 -0.586 149 3HE MET 23 3HE MET 23 -4.068 -1.928 -1.411 150 H VAL 24 H VAL 24 -3.495 -1.796 -8.107 151 HA VAL 24 HA VAL 24 -6.218 -2.538 -8.471 152 HB VAL 24 HB VAL 24 -4.182 -1.657 -10.523 153 1HG1 VAL 24 1HG1 VAL 24 -6.253 -2.889 -11.344 154 2HG1 VAL 24 2HG1 VAL 24 -7.172 -1.496 -10.771 155 3HG1 VAL 24 3HG1 VAL 24 -5.950 -1.291 -12.027 156 1HG2 VAL 24 1HG2 VAL 24 -4.528 0.462 -9.899 157 2HG2 VAL 24 2HG2 VAL 24 -6.268 0.223 -9.739 158 3HG2 VAL 24 3HG2 VAL 24 -5.192 -0.215 -8.412 159 H LYS 25 H LYS 25 -3.142 -3.848 -9.636 160 HA LYS 25 HA LYS 25 -4.275 -5.843 -11.297 161 1HB LYS 25 1HB LYS 25 -1.844 -4.905 -11.202 162 2HB LYS 25 2HB LYS 25 -1.595 -6.147 -9.981 163 1HG LYS 25 1HG LYS 25 -2.164 -7.877 -11.548 164 2HG LYS 25 2HG LYS 25 -2.602 -6.679 -12.768 165 1HD LYS 25 1HD LYS 25 -0.233 -5.847 -12.655 166 2HD LYS 25 2HD LYS 25 0.136 -7.246 -11.644 167 1HE LYS 25 1HE LYS 25 0.714 -7.995 -13.755 168 2HE LYS 25 2HE LYS 25 -0.930 -8.606 -13.577 169 1HZ LYS 25 1HZ LYS 25 -0.003 -7.098 -15.642 170 2HZ LYS 25 2HZ LYS 25 -0.845 -5.973 -14.700 171 3HZ LYS 25 3HZ LYS 25 -1.631 -7.361 -15.264 172 H PHE 26 H PHE 26 -3.664 -5.643 -7.892 173 HA PHE 26 HA PHE 26 -4.773 -8.342 -7.575 174 1HB PHE 26 1HB PHE 26 -2.601 -7.352 -5.748 175 2HB PHE 26 2HB PHE 26 -3.163 -9.001 -5.999 176 HD1 PHE 26 HD1 PHE 26 -0.661 -6.656 -6.768 177 HD2 PHE 26 HD2 PHE 26 -2.794 -9.957 -8.403 178 HE1 PHE 26 HE1 PHE 26 1.151 -7.018 -8.394 179 HE2 PHE 26 HE2 PHE 26 -0.985 -10.324 -10.030 180 HZ PHE 26 HZ PHE 26 0.991 -8.855 -10.026 181 HA PRO 27 HA PRO 27 -7.179 -5.324 -5.077 182 1HB PRO 27 1HB PRO 27 -9.563 -6.548 -5.512 183 2HB PRO 27 2HB PRO 27 -8.866 -5.375 -6.636 184 1HG PRO 27 1HG PRO 27 -8.838 -8.366 -6.760 185 2HG PRO 27 2HG PRO 27 -9.128 -7.195 -8.060 186 1HD PRO 27 1HD PRO 27 -6.742 -8.429 -7.716 187 2HD PRO 27 2HD PRO 27 -6.881 -6.779 -8.358 188 H GLY 28 H GLY 28 -9.076 -6.022 -3.454 189 1HA GLY 28 1HA GLY 28 -7.816 -7.696 -1.519 190 2HA GLY 28 2HA GLY 28 -9.411 -6.970 -1.382 191 H GLY 29 H GLY 29 -8.525 -9.659 -0.637 192 1HA GLY 29 1HA GLY 29 -9.703 -11.667 -0.573 193 2HA GLY 29 2HA GLY 29 -10.685 -11.104 -1.917 194 H THR 30 H THR 30 -8.000 -10.436 -3.279 195 HA THR 30 HA THR 30 -7.871 -12.773 -4.863 196 HB THR 30 HB THR 30 -6.364 -10.219 -4.738 197 HG1 THR 30 HG1 THR 30 -8.245 -10.856 -6.142 198 1HG2 THR 30 1HG2 THR 30 -4.732 -11.072 -6.425 199 2HG2 THR 30 2HG2 THR 30 -5.281 -12.708 -6.059 200 3HG2 THR 30 3HG2 THR 30 -4.503 -11.738 -4.809 201 HA PRO 31 HA PRO 31 -5.169 -15.297 -2.450 202 1HB PRO 31 1HB PRO 31 -4.407 -17.017 -4.408 203 2HB PRO 31 2HB PRO 31 -6.006 -17.065 -3.655 204 1HG PRO 31 1HG PRO 31 -5.177 -15.851 -6.262 205 2HG PRO 31 2HG PRO 31 -6.616 -16.816 -5.885 206 1HD PRO 31 1HD PRO 31 -6.680 -14.115 -6.072 207 2HD PRO 31 2HD PRO 31 -7.732 -15.021 -4.965 208 H GLY 32 H GLY 32 -3.303 -14.367 -1.818 209 1HA GLY 32 1HA GLY 32 -0.980 -14.130 -1.907 210 2HA GLY 32 2HA GLY 32 -1.032 -14.495 -3.626 211 H ARG 33 H ARG 33 -3.210 -12.107 -2.435 212 HA ARG 33 HA ARG 33 -2.572 -10.113 -4.166 213 1HB ARG 33 1HB ARG 33 -4.516 -9.935 -2.764 214 2HB ARG 33 2HB ARG 33 -3.527 -9.870 -1.312 215 1HG ARG 33 1HG ARG 33 -2.554 -7.722 -2.246 216 2HG ARG 33 2HG ARG 33 -3.866 -7.768 -3.426 217 1HD ARG 33 1HD ARG 33 -5.400 -8.031 -1.366 218 2HD ARG 33 2HD ARG 33 -4.011 -7.449 -0.450 219 HE ARG 33 HE ARG 33 -4.687 -5.780 -2.685 220 1HH1 ARG 33 1HH1 ARG 33 -5.360 -6.488 0.656 221 2HH1 ARG 33 2HH1 ARG 33 -5.964 -4.903 1.006 222 1HH2 ARG 33 1HH2 ARG 33 -5.480 -3.689 -2.237 223 2HH2 ARG 33 2HH2 ARG 33 -6.033 -3.311 -0.640 224 H TRP 34 H TRP 34 -1.571 -9.819 -0.763 225 HA TRP 34 HA TRP 34 0.375 -7.885 -1.190 226 1HB TRP 34 1HB TRP 34 0.247 -9.989 0.981 227 2HB TRP 34 2HB TRP 34 1.280 -8.563 1.021 228 HD1 TRP 34 HD1 TRP 34 -1.747 -9.647 2.531 229 HE1 TRP 34 HE1 TRP 34 -3.315 -7.696 3.131 230 HE3 TRP 34 HE3 TRP 34 0.376 -5.987 -0.338 231 HZ2 TRP 34 HZ2 TRP 34 -3.613 -4.967 2.475 232 HZ3 TRP 34 HZ3 TRP 34 -0.611 -3.733 -0.295 233 HH2 TRP 34 HH2 TRP 34 -2.565 -3.236 1.082 234 H GLU 35 H GLU 35 0.562 -11.370 -1.466 235 HA GLU 35 HA GLU 35 3.381 -11.588 -1.539 236 1HB GLU 35 1HB GLU 35 1.081 -13.328 -2.249 237 2HB GLU 35 2HB GLU 35 2.633 -13.728 -2.972 238 1HG GLU 35 1HG GLU 35 3.639 -13.855 -0.752 239 2HG GLU 35 2HG GLU 35 2.084 -13.454 -0.025 240 H LYS 36 H LYS 36 0.971 -10.826 -3.949 241 HA LYS 36 HA LYS 36 2.833 -11.068 -6.153 242 1HB LYS 36 1HB LYS 36 0.010 -9.986 -6.061 243 2HB LYS 36 2HB LYS 36 0.948 -10.250 -7.525 244 1HG LYS 36 1HG LYS 36 0.628 -12.484 -7.492 245 2HG LYS 36 2HG LYS 36 0.651 -12.572 -5.729 246 1HD LYS 36 1HD LYS 36 -1.587 -12.143 -5.543 247 2HD LYS 36 2HD LYS 36 -1.636 -11.184 -7.025 248 1HE LYS 36 1HE LYS 36 -1.066 -13.538 -8.110 249 2HE LYS 36 2HE LYS 36 -1.851 -14.123 -6.645 250 1HZ LYS 36 1HZ LYS 36 -3.757 -12.664 -7.221 251 2HZ LYS 36 2HZ LYS 36 -3.492 -13.910 -8.334 252 3HZ LYS 36 3HZ LYS 36 -3.013 -12.330 -8.703 253 H ILE 37 H ILE 37 1.160 -8.462 -4.421 254 HA ILE 37 HA ILE 37 2.134 -6.318 -5.933 255 HB ILE 37 HB ILE 37 1.333 -6.425 -3.025 256 1HG1 ILE 37 1HG1 ILE 37 -0.164 -5.299 -5.395 257 2HG1 ILE 37 2HG1 ILE 37 -0.384 -6.945 -4.810 258 1HG2 ILE 37 1HG2 ILE 37 2.511 -4.274 -4.607 259 2HG2 ILE 37 2HG2 ILE 37 0.989 -3.832 -3.834 260 3HG2 ILE 37 3HG2 ILE 37 2.331 -4.430 -2.860 261 1HD1 ILE 37 1HD1 ILE 37 -1.411 -4.428 -3.766 262 2HD1 ILE 37 2HD1 ILE 37 -2.010 -6.074 -3.565 263 3HD1 ILE 37 3HD1 ILE 37 -0.710 -5.477 -2.534 264 H ALA 38 H ALA 38 3.522 -8.046 -3.195 265 HA ALA 38 HA ALA 38 5.672 -6.275 -2.714 266 1HB ALA 38 1HB ALA 38 6.421 -7.812 -1.183 267 2HB ALA 38 2HB ALA 38 4.718 -8.258 -1.293 268 3HB ALA 38 3HB ALA 38 5.933 -9.193 -2.165 269 H HIS 39 H HIS 39 5.463 -9.291 -4.590 270 HA HIS 39 HA HIS 39 8.135 -9.362 -5.431 271 1HB HIS 39 1HB HIS 39 6.152 -11.102 -5.654 272 2HB HIS 39 2HB HIS 39 5.980 -10.361 -7.242 273 HD1 HIS 39 HD1 HIS 39 6.987 -13.339 -6.559 274 HD2 HIS 39 HD2 HIS 39 9.324 -10.104 -7.716 275 HE1 HIS 39 HE1 HIS 39 9.070 -14.336 -7.555 276 H GLU 40 H GLU 40 5.435 -7.480 -6.519 277 HA GLU 40 HA GLU 40 6.665 -6.734 -9.024 278 1HB GLU 40 1HB GLU 40 4.177 -5.803 -7.594 279 2HB GLU 40 2HB GLU 40 4.722 -5.102 -9.111 280 1HG GLU 40 1HG GLU 40 4.168 -8.034 -8.766 281 2HG GLU 40 2HG GLU 40 2.948 -6.872 -9.286 282 H LEU 41 H LEU 41 5.883 -5.088 -5.967 283 HA LEU 41 HA LEU 41 7.173 -2.658 -6.681 284 1HB LEU 41 1HB LEU 41 6.419 -3.759 -3.978 285 2HB LEU 41 2HB LEU 41 6.958 -2.109 -4.281 286 HG LEU 41 HG LEU 41 4.389 -3.398 -5.187 287 1HD1 LEU 41 1HD1 LEU 41 5.135 -1.896 -2.899 288 2HD1 LEU 41 2HD1 LEU 41 3.539 -2.489 -3.355 289 3HD1 LEU 41 3HD1 LEU 41 4.073 -0.896 -3.890 290 1HD2 LEU 41 1HD2 LEU 41 3.952 -1.029 -6.068 291 2HD2 LEU 41 2HD2 LEU 41 4.974 -2.095 -7.032 292 3HD2 LEU 41 3HD2 LEU 41 5.705 -0.839 -6.032 293 H GLY 42 H GLY 42 8.268 -5.661 -5.362 294 1HA GLY 42 1HA GLY 42 10.521 -6.337 -5.320 295 2HA GLY 42 2HA GLY 42 11.006 -4.650 -5.397 296 H ARG 43 H ARG 43 8.570 -5.399 -3.112 297 HA ARG 43 HA ARG 43 10.573 -5.284 -0.953 298 1HB ARG 43 1HB ARG 43 7.786 -4.138 -1.104 299 2HB ARG 43 2HB ARG 43 8.665 -4.301 0.410 300 1HG ARG 43 1HG ARG 43 10.383 -2.810 -0.365 301 2HG ARG 43 2HG ARG 43 9.647 -2.739 -1.967 302 1HD ARG 43 1HD ARG 43 7.574 -1.838 -0.802 303 2HD ARG 43 2HD ARG 43 8.594 -1.633 0.622 304 HE ARG 43 HE ARG 43 8.511 0.049 -1.660 305 1HH1 ARG 43 1HH1 ARG 43 10.684 -1.275 0.715 306 2HH1 ARG 43 2HH1 ARG 43 11.810 0.038 0.608 307 1HH2 ARG 43 1HH2 ARG 43 9.986 1.783 -1.811 308 2HH2 ARG 43 2HH2 ARG 43 11.411 1.777 -0.828 309 H SER 44 H SER 44 9.233 -5.978 1.213 310 HA SER 44 HA SER 44 8.541 -8.767 0.696 311 1HB SER 44 1HB SER 44 9.492 -7.232 3.076 312 2HB SER 44 2HB SER 44 8.575 -8.714 3.346 313 HG SER 44 HG SER 44 10.764 -8.652 1.568 314 H VAL 45 H VAL 45 6.625 -9.718 1.329 315 HA VAL 45 HA VAL 45 4.248 -8.560 0.970 316 HB VAL 45 HB VAL 45 4.969 -10.713 2.939 317 1HG1 VAL 45 1HG1 VAL 45 2.324 -9.398 2.508 318 2HG1 VAL 45 2HG1 VAL 45 2.394 -11.125 2.866 319 3HG1 VAL 45 3HG1 VAL 45 3.069 -9.959 4.004 320 1HG2 VAL 45 1HG2 VAL 45 3.379 -11.888 1.164 321 2HG2 VAL 45 2HG2 VAL 45 3.948 -10.557 0.157 322 3HG2 VAL 45 3HG2 VAL 45 5.106 -11.675 0.879 323 H THR 46 H THR 46 5.169 -9.160 4.350 324 HA THR 46 HA THR 46 3.416 -7.479 5.581 325 HB THR 46 HB THR 46 4.959 -9.001 6.781 326 HG1 THR 46 HG1 THR 46 3.882 -7.013 7.727 327 1HG2 THR 46 1HG2 THR 46 7.010 -8.351 5.530 328 2HG2 THR 46 2HG2 THR 46 7.222 -8.336 7.281 329 3HG2 THR 46 3HG2 THR 46 7.011 -6.820 6.404 330 H ASP 47 H ASP 47 6.564 -6.609 4.218 331 HA ASP 47 HA ASP 47 6.762 -3.994 5.110 332 1HB ASP 47 1HB ASP 47 8.388 -5.461 3.671 333 2HB ASP 47 2HB ASP 47 7.578 -4.689 2.311 334 H VAL 48 H VAL 48 5.047 -5.264 2.286 335 HA VAL 48 HA VAL 48 4.206 -2.697 1.352 336 HB VAL 48 HB VAL 48 2.659 -5.127 0.617 337 1HG1 VAL 48 1HG1 VAL 48 3.149 -2.517 -0.415 338 2HG1 VAL 48 2HG1 VAL 48 3.697 -3.708 -1.597 339 3HG1 VAL 48 3HG1 VAL 48 2.035 -3.750 -1.006 340 1HG2 VAL 48 1HG2 VAL 48 4.607 -5.543 -1.079 341 2HG2 VAL 48 2HG2 VAL 48 5.591 -4.784 0.172 342 3HG2 VAL 48 3HG2 VAL 48 4.672 -6.244 0.538 343 H THR 49 H THR 49 2.248 -5.420 2.570 344 HA THR 49 HA THR 49 -0.129 -4.128 2.947 345 HB THR 49 HB THR 49 -0.371 -6.352 3.401 346 HG1 THR 49 HG1 THR 49 0.130 -5.655 6.093 347 1HG2 THR 49 1HG2 THR 49 1.308 -7.378 5.223 348 2HG2 THR 49 2HG2 THR 49 2.335 -6.097 4.578 349 3HG2 THR 49 3HG2 THR 49 1.679 -7.329 3.500 350 H THR 50 H THR 50 2.639 -4.181 5.147 351 HA THR 50 HA THR 50 1.426 -2.854 7.307 352 HB THR 50 HB THR 50 4.332 -2.904 6.472 353 HG1 THR 50 HG1 THR 50 4.334 -4.797 7.414 354 1HG2 THR 50 1HG2 THR 50 2.943 -1.557 8.686 355 2HG2 THR 50 2HG2 THR 50 4.528 -1.240 7.981 356 3HG2 THR 50 3HG2 THR 50 4.332 -2.531 9.166 357 H LYS 51 H LYS 51 2.769 -1.689 4.314 358 HA LYS 51 HA LYS 51 2.816 1.073 5.190 359 1HB LYS 51 1HB LYS 51 4.541 0.473 3.665 360 2HB LYS 51 2HB LYS 51 3.398 -0.280 2.559 361 1HG LYS 51 1HG LYS 51 4.178 1.847 1.692 362 2HG LYS 51 2HG LYS 51 2.449 1.908 2.040 363 1HD LYS 51 1HD LYS 51 3.151 3.898 2.955 364 2HD LYS 51 2HD LYS 51 3.261 2.830 4.356 365 1HE LYS 51 1HE LYS 51 5.636 2.553 4.000 366 2HE LYS 51 2HE LYS 51 5.556 3.501 2.516 367 1HZ LYS 51 1HZ LYS 51 5.876 4.400 5.169 368 2HZ LYS 51 2HZ LYS 51 4.454 5.058 4.531 369 3HZ LYS 51 3HZ LYS 51 5.927 5.295 3.734 370 H ALA 52 H ALA 52 0.976 -0.892 2.868 371 HA ALA 52 HA ALA 52 -0.749 1.124 1.975 372 1HB ALA 52 1HB ALA 52 -2.289 -0.830 1.432 373 2HB ALA 52 2HB ALA 52 -0.682 -0.849 0.706 374 3HB ALA 52 3HB ALA 52 -1.029 -1.864 2.106 375 H LYS 53 H LYS 53 -1.104 -1.200 4.636 376 HA LYS 53 HA LYS 53 -3.671 -0.704 5.446 377 1HB LYS 53 1HB LYS 53 -2.882 -1.240 7.761 378 2HB LYS 53 2HB LYS 53 -2.374 -2.397 6.538 379 1HG LYS 53 1HG LYS 53 -0.418 -2.152 7.665 380 2HG LYS 53 2HG LYS 53 -0.229 -0.862 6.476 381 1HD LYS 53 1HD LYS 53 0.285 0.292 8.381 382 2HD LYS 53 2HD LYS 53 -1.460 0.552 8.341 383 1HE LYS 53 1HE LYS 53 -1.670 -1.494 9.806 384 2HE LYS 53 2HE LYS 53 0.081 -1.437 9.996 385 1HZ LYS 53 1HZ LYS 53 -0.037 0.594 11.113 386 2HZ LYS 53 2HZ LYS 53 -1.315 -0.304 11.763 387 3HZ LYS 53 3HZ LYS 53 -1.625 0.898 10.614 388 H GLN 54 H GLN 54 -0.801 1.247 6.079 389 HA GLN 54 HA GLN 54 -1.991 3.046 7.896 390 1HB GLN 54 1HB GLN 54 0.328 3.497 6.009 391 2HB GLN 54 2HB GLN 54 -0.086 4.517 7.381 392 1HG GLN 54 1HG GLN 54 0.154 2.298 8.732 393 2HG GLN 54 2HG GLN 54 1.105 1.788 7.338 394 1HE2 GLN 54 1HE2 GLN 54 3.184 2.020 7.684 395 2HE2 GLN 54 2HE2 GLN 54 3.942 3.310 8.546 396 H LEU 55 H LEU 55 -1.756 3.012 4.382 397 HA LEU 55 HA LEU 55 -2.773 5.629 3.973 398 1HB LEU 55 1HB LEU 55 -2.940 3.300 2.073 399 2HB LEU 55 2HB LEU 55 -2.991 5.015 1.670 400 HG LEU 55 HG LEU 55 -0.577 3.631 2.831 401 1HD1 LEU 55 1HD1 LEU 55 -1.094 4.362 -0.046 402 2HD1 LEU 55 2HD1 LEU 55 -1.203 2.729 0.608 403 3HD1 LEU 55 3HD1 LEU 55 0.342 3.579 0.614 404 1HD2 LEU 55 1HD2 LEU 55 -1.016 6.343 1.593 405 2HD2 LEU 55 2HD2 LEU 55 0.570 5.658 1.947 406 3HD2 LEU 55 3HD2 LEU 55 -0.562 5.988 3.259 407 H LYS 56 H LYS 56 -4.278 2.420 3.990 408 HA LYS 56 HA LYS 56 -6.843 3.107 3.204 409 1HB LYS 56 1HB LYS 56 -5.805 0.979 5.059 410 2HB LYS 56 2HB LYS 56 -7.525 1.139 4.729 411 1HG LYS 56 1HG LYS 56 -7.084 0.836 2.336 412 2HG LYS 56 2HG LYS 56 -5.366 0.637 2.690 413 1HD LYS 56 1HD LYS 56 -6.176 -1.552 2.514 414 2HD LYS 56 2HD LYS 56 -6.103 -1.257 4.253 415 1HE LYS 56 1HE LYS 56 -8.183 -2.316 3.813 416 2HE LYS 56 2HE LYS 56 -8.530 -0.619 4.142 417 1HZ LYS 56 1HZ LYS 56 -9.065 -0.211 1.967 418 2HZ LYS 56 2HZ LYS 56 -9.616 -1.803 2.122 419 3HZ LYS 56 3HZ LYS 56 -8.136 -1.491 1.364 420 H ASP 57 H ASP 57 -5.545 2.968 6.518 421 HA ASP 57 HA ASP 57 -7.915 3.987 7.718 422 1HB ASP 57 1HB ASP 57 -5.909 2.644 8.756 423 2HB ASP 57 2HB ASP 57 -5.233 4.248 9.022 424 H SER 58 H SER 58 -4.717 5.461 7.156 425 HA SER 58 HA SER 58 -5.606 8.071 7.907 426 1HB SER 58 1HB SER 58 -3.121 7.276 6.371 427 2HB SER 58 2HB SER 58 -3.400 8.820 7.176 428 HG SER 58 HG SER 58 -2.285 6.741 8.227 429 H VAL 59 H VAL 59 -7.186 8.943 6.693 430 HA VAL 59 HA VAL 59 -6.564 9.539 3.908 431 HB VAL 59 HB VAL 59 -8.795 8.884 3.120 432 1HG1 VAL 59 1HG1 VAL 59 -7.751 6.403 4.383 433 2HG1 VAL 59 2HG1 VAL 59 -8.224 6.710 2.711 434 3HG1 VAL 59 3HG1 VAL 59 -6.680 7.310 3.316 435 1HG2 VAL 59 1HG2 VAL 59 -9.329 7.210 5.493 436 2HG2 VAL 59 2HG2 VAL 59 -9.581 8.944 5.688 437 3HG2 VAL 59 3HG2 VAL 59 -10.448 8.064 4.430 438 H THR 60 H THR 60 -8.156 11.120 2.985 439 HA THR 60 HA THR 60 -9.277 12.856 5.085 440 HB THR 60 HB THR 60 -8.629 14.824 3.724 441 HG1 THR 60 HG1 THR 60 -6.925 13.091 2.264 442 1HG2 THR 60 1HG2 THR 60 -6.025 13.506 4.082 443 2HG2 THR 60 2HG2 THR 60 -7.095 13.428 5.482 444 3HG2 THR 60 3HG2 THR 60 -6.652 14.991 4.796 445 H CYS 61 H CYS 61 -11.410 12.421 4.813 446 HA CYS 61 HA CYS 61 -12.524 12.746 2.106 447 1HB CYS 61 1HB CYS 61 -12.864 10.520 3.214 448 2HB CYS 61 2HB CYS 61 -13.804 11.339 4.456 449 HG CYS 61 HG CYS 61 -15.952 11.906 2.967 450 H SER 62 H SER 62 -13.489 13.214 5.511 451 HA SER 62 HA SER 62 -15.259 15.381 4.712 452 1HB SER 62 1HB SER 62 -14.876 13.750 7.181 453 2HB SER 62 2HB SER 62 -15.581 15.357 7.352 454 HG SER 62 HG SER 62 -17.187 14.736 5.862 455 HA PRO 63 HA PRO 63 -12.420 18.612 5.646 456 1HB PRO 63 1HB PRO 63 -14.189 20.611 6.140 457 2HB PRO 63 2HB PRO 63 -13.861 19.999 4.515 458 1HG PRO 63 1HG PRO 63 -16.132 19.358 6.357 459 2HG PRO 63 2HG PRO 63 -16.162 19.676 4.612 460 1HD PRO 63 1HD PRO 63 -16.258 17.172 5.639 461 2HD PRO 63 2HD PRO 63 -15.483 17.537 4.085 462 H GLY 64 H GLY 64 -15.252 18.539 7.828 463 1HA GLY 64 1HA GLY 64 -14.472 17.867 10.192 464 2HA GLY 64 2HA GLY 64 -13.466 19.300 10.041 465 H MET 65 H MET 65 -16.005 18.340 11.633 466 HA MET 65 HA MET 65 -17.787 20.573 11.057 467 1HB MET 65 1HB MET 65 -19.227 19.525 12.812 468 2HB MET 65 2HB MET 65 -18.879 18.473 11.447 469 1HG MET 65 1HG MET 65 -17.179 17.320 12.749 470 2HG MET 65 2HG MET 65 -17.488 18.391 14.113 471 1HE MET 65 1HE MET 65 -19.139 14.414 13.818 472 2HE MET 65 2HE MET 65 -18.511 15.102 12.321 473 3HE MET 65 3HE MET 65 -17.528 15.130 13.786 474 H VAL 66 H VAL 66 -18.572 21.937 12.835 475 HA VAL 66 HA VAL 66 -16.425 23.120 14.251 476 HB VAL 66 HB VAL 66 -18.292 24.483 13.566 477 1HG1 VAL 66 1HG1 VAL 66 -20.268 23.406 13.555 478 2HG1 VAL 66 2HG1 VAL 66 -19.846 22.400 14.942 479 3HG1 VAL 66 3HG1 VAL 66 -20.413 24.052 15.189 480 1HG2 VAL 66 1HG2 VAL 66 -18.464 24.366 16.561 481 2HG2 VAL 66 2HG2 VAL 66 -17.018 24.945 15.733 482 3HG2 VAL 66 3HG2 VAL 66 -18.557 25.776 15.506 483 H SER 67 H SER 67 -18.613 20.575 15.011 484 HA SER 67 HA SER 67 -18.864 20.648 17.736 485 1HB SER 67 1HB SER 67 -18.470 18.318 15.864 486 2HB SER 67 2HB SER 67 -18.743 18.084 17.591 487 HG SER 67 HG SER 67 -20.696 18.029 16.407 488 H GLY 68 H GLY 68 -17.641 20.085 19.503 489 1HA GLY 68 1HA GLY 68 -14.942 19.060 19.116 490 2HA GLY 68 2HA GLY 68 -15.061 20.685 19.775 491 HA PRO 69 HA PRO 69 -14.990 17.804 23.365 492 1HB PRO 69 1HB PRO 69 -13.413 19.402 24.892 493 2HB PRO 69 2HB PRO 69 -12.765 18.256 23.713 494 1HG PRO 69 1HG PRO 69 -13.188 21.207 23.451 495 2HG PRO 69 2HG PRO 69 -11.804 20.225 22.935 496 1HD PRO 69 1HD PRO 69 -13.724 21.055 21.215 497 2HD PRO 69 2HD PRO 69 -12.864 19.515 21.015 498 H SER 70 H SER 70 -16.734 17.880 24.622 499 HA SER 70 HA SER 70 -17.373 20.301 26.091 500 1HB SER 70 1HB SER 70 -19.806 20.127 25.389 501 2HB SER 70 2HB SER 70 -18.700 20.724 24.153 502 HG SER 70 HG SER 70 -19.172 17.975 24.270 503 H SER 71 H SER 71 -19.641 19.725 27.303 504 HA SER 71 HA SER 71 -19.543 16.962 28.254 505 1HB SER 71 1HB SER 71 -18.130 18.702 29.669 506 2HB SER 71 2HB SER 71 -19.714 19.103 30.332 507 HG SER 71 HG SER 71 -19.481 17.404 31.529 508 H GLY 72 H GLY 72 -21.437 16.330 29.475 509 1HA GLY 72 1HA GLY 72 -23.816 17.626 28.449 510 2HA GLY 72 2HA GLY 72 -23.753 16.124 29.360 Start of MODEL 12 1 1H GLY 1 1H GLY 1 27.651 -13.998 11.490 2 1HA GLY 1 1HA GLY 1 27.381 -12.035 10.212 3 2HA GLY 1 2HA GLY 1 25.947 -12.962 9.796 4 H SER 2 H SER 2 26.792 -9.974 10.391 5 HA SER 2 HA SER 2 24.285 -9.351 11.801 6 1HB SER 2 1HB SER 2 26.279 -9.019 13.280 7 2HB SER 2 2HB SER 2 26.874 -7.818 12.134 8 HG SER 2 HG SER 2 24.624 -6.885 12.509 9 H SER 3 H SER 3 26.856 -8.047 9.721 10 HA SER 3 HA SER 3 24.919 -6.171 8.563 11 1HB SER 3 1HB SER 3 27.201 -5.398 9.433 12 2HB SER 3 2HB SER 3 27.888 -6.212 8.028 13 HG SER 3 HG SER 3 27.358 -3.902 7.799 14 H GLY 4 H GLY 4 23.808 -7.141 6.971 15 1HA GLY 4 1HA GLY 4 25.045 -7.748 4.515 16 2HA GLY 4 2HA GLY 4 24.714 -9.250 5.364 17 H SER 5 H SER 5 23.296 -6.425 3.859 18 HA SER 5 HA SER 5 21.150 -5.930 3.229 19 1HB SER 5 1HB SER 5 21.514 -8.821 2.472 20 2HB SER 5 2HB SER 5 20.020 -7.962 2.095 21 HG SER 5 HG SER 5 22.378 -7.874 0.822 22 H SER 6 H SER 6 21.279 -6.303 5.961 23 HA SER 6 HA SER 6 19.078 -8.046 6.725 24 1HB SER 6 1HB SER 6 20.744 -6.210 8.462 25 2HB SER 6 2HB SER 6 19.665 -7.491 9.015 26 HG SER 6 HG SER 6 22.236 -7.653 8.208 27 H GLY 7 H GLY 7 17.043 -7.391 6.977 28 1HA GLY 7 1HA GLY 7 15.329 -5.930 7.668 29 2HA GLY 7 2HA GLY 7 16.478 -4.601 7.629 30 H ALA 8 H ALA 8 14.688 -3.488 6.533 31 HA ALA 8 HA ALA 8 14.850 -3.939 3.637 32 1HB ALA 8 1HB ALA 8 12.246 -3.224 4.955 33 2HB ALA 8 2HB ALA 8 12.529 -3.777 3.304 34 3HB ALA 8 3HB ALA 8 12.722 -4.896 4.653 35 HA PRO 9 HA PRO 9 15.572 0.392 3.427 36 1HB PRO 9 1HB PRO 9 14.688 0.899 0.911 37 2HB PRO 9 2HB PRO 9 16.197 0.042 1.244 38 1HG PRO 9 1HG PRO 9 13.512 -1.063 0.515 39 2HG PRO 9 2HG PRO 9 15.115 -1.539 -0.075 40 1HD PRO 9 1HD PRO 9 13.789 -2.935 1.829 41 2HD PRO 9 2HD PRO 9 15.560 -2.817 1.791 42 H GLU 10 H GLU 10 14.413 2.473 2.707 43 HA GLU 10 HA GLU 10 11.833 2.511 4.010 44 1HB GLU 10 1HB GLU 10 11.984 4.951 3.751 45 2HB GLU 10 2HB GLU 10 13.432 4.283 4.491 46 1HG GLU 10 1HG GLU 10 14.656 4.494 2.450 47 2HG GLU 10 2HG GLU 10 13.199 4.954 1.570 48 H TRP 11 H TRP 11 10.292 4.283 2.855 49 HA TRP 11 HA TRP 11 9.686 3.092 0.243 50 1HB TRP 11 1HB TRP 11 8.014 4.491 2.314 51 2HB TRP 11 2HB TRP 11 7.442 4.324 0.656 52 HD1 TRP 11 HD1 TRP 11 8.169 2.267 3.795 53 HE1 TRP 11 HE1 TRP 11 7.078 -0.050 3.534 54 HE3 TRP 11 HE3 TRP 11 6.697 2.610 -1.088 55 HZ2 TRP 11 HZ2 TRP 11 5.768 -1.535 1.523 56 HZ3 TRP 11 HZ3 TRP 11 5.531 0.697 -2.106 57 HH2 TRP 11 HH2 TRP 11 5.077 -1.332 -0.825 58 H THR 12 H THR 12 9.693 4.252 -1.595 59 HA THR 12 HA THR 12 10.191 7.150 -1.374 60 HB THR 12 HB THR 12 11.536 7.035 -3.402 61 HG1 THR 12 HG1 THR 12 11.783 5.188 -4.525 62 1HG2 THR 12 1HG2 THR 12 12.877 6.824 -1.496 63 2HG2 THR 12 2HG2 THR 12 13.374 5.468 -2.507 64 3HG2 THR 12 3HG2 THR 12 12.285 5.200 -1.147 65 H GLU 13 H GLU 13 9.256 8.506 -2.934 66 HA GLU 13 HA GLU 13 6.697 8.282 -3.612 67 1HB GLU 13 1HB GLU 13 8.973 9.603 -4.988 68 2HB GLU 13 2HB GLU 13 7.462 9.489 -5.879 69 1HG GLU 13 1HG GLU 13 6.336 10.861 -4.419 70 2HG GLU 13 2HG GLU 13 7.438 10.523 -3.085 71 H GLU 14 H GLU 14 9.334 6.882 -5.518 72 HA GLU 14 HA GLU 14 7.790 5.898 -7.638 73 1HB GLU 14 1HB GLU 14 10.216 6.014 -7.764 74 2HB GLU 14 2HB GLU 14 10.366 4.834 -6.469 75 1HG GLU 14 1HG GLU 14 8.845 4.056 -8.894 76 2HG GLU 14 2HG GLU 14 10.601 4.162 -9.007 77 H ASP 15 H ASP 15 8.831 4.311 -4.632 78 HA ASP 15 HA ASP 15 7.445 1.881 -5.185 79 1HB ASP 15 1HB ASP 15 8.974 3.014 -2.911 80 2HB ASP 15 2HB ASP 15 7.799 1.763 -2.518 81 H LEU 16 H LEU 16 6.606 4.892 -3.666 82 HA LEU 16 HA LEU 16 4.233 3.879 -2.389 83 1HB LEU 16 1HB LEU 16 5.492 6.558 -2.740 84 2HB LEU 16 2HB LEU 16 3.797 6.465 -2.268 85 HG LEU 16 HG LEU 16 6.022 5.138 -0.730 86 1HD1 LEU 16 1HD1 LEU 16 6.635 7.264 -0.283 87 2HD1 LEU 16 2HD1 LEU 16 5.282 7.175 0.844 88 3HD1 LEU 16 3HD1 LEU 16 5.065 7.931 -0.734 89 1HD2 LEU 16 1HD2 LEU 16 4.202 5.365 1.077 90 2HD2 LEU 16 2HD2 LEU 16 4.022 4.104 -0.143 91 3HD2 LEU 16 3HD2 LEU 16 3.096 5.599 -0.277 92 H SER 17 H SER 17 5.062 5.367 -5.431 93 HA SER 17 HA SER 17 2.321 5.907 -6.160 94 1HB SER 17 1HB SER 17 4.573 7.083 -6.943 95 2HB SER 17 2HB SER 17 4.501 5.847 -8.199 96 HG SER 17 HG SER 17 2.525 6.640 -8.844 97 H GLN 18 H GLN 18 4.716 3.415 -6.736 98 HA GLN 18 HA GLN 18 3.359 2.087 -8.835 99 1HB GLN 18 1HB GLN 18 5.507 1.288 -6.897 100 2HB GLN 18 2HB GLN 18 4.791 0.095 -7.972 101 1HG GLN 18 1HG GLN 18 5.801 2.636 -9.137 102 2HG GLN 18 2HG GLN 18 6.962 1.409 -8.634 103 1HE2 GLN 18 1HE2 GLN 18 5.748 -0.905 -9.274 104 2HE2 GLN 18 2HE2 GLN 18 5.489 -1.007 -10.979 105 H LEU 19 H LEU 19 3.380 1.632 -5.321 106 HA LEU 19 HA LEU 19 1.963 -0.669 -5.013 107 1HB LEU 19 1HB LEU 19 2.805 0.620 -3.142 108 2HB LEU 19 2HB LEU 19 1.629 1.893 -3.461 109 HG LEU 19 HG LEU 19 -0.181 0.286 -2.899 110 1HD1 LEU 19 1HD1 LEU 19 2.166 -1.487 -2.286 111 2HD1 LEU 19 2HD1 LEU 19 0.780 -1.821 -3.324 112 3HD1 LEU 19 3HD1 LEU 19 0.571 -1.738 -1.575 113 1HD2 LEU 19 1HD2 LEU 19 0.404 1.776 -1.184 114 2HD2 LEU 19 2HD2 LEU 19 1.937 0.959 -0.878 115 3HD2 LEU 19 3HD2 LEU 19 0.418 0.185 -0.423 116 H THR 20 H THR 20 0.590 2.553 -5.599 117 HA THR 20 HA THR 20 -2.109 1.860 -5.498 118 HB THR 20 HB THR 20 -0.862 3.968 -7.272 119 HG1 THR 20 HG1 THR 20 -1.978 4.424 -4.713 120 1HG2 THR 20 1HG2 THR 20 -2.943 4.871 -7.568 121 2HG2 THR 20 2HG2 THR 20 -3.555 4.238 -6.040 122 3HG2 THR 20 3HG2 THR 20 -3.389 3.171 -7.434 123 H ARG 21 H ARG 21 0.246 1.507 -8.067 124 HA ARG 21 HA ARG 21 -1.685 0.864 -10.089 125 1HB ARG 21 1HB ARG 21 1.299 0.375 -10.055 126 2HB ARG 21 2HB ARG 21 0.253 0.294 -11.466 127 1HG ARG 21 1HG ARG 21 0.298 2.824 -9.918 128 2HG ARG 21 2HG ARG 21 1.699 2.431 -10.916 129 1HD ARG 21 1HD ARG 21 0.179 3.756 -12.216 130 2HD ARG 21 2HD ARG 21 0.166 2.108 -12.842 131 HE ARG 21 HE ARG 21 -2.041 1.954 -12.271 132 1HH1 ARG 21 1HH1 ARG 21 -0.618 4.635 -10.565 133 2HH1 ARG 21 2HH1 ARG 21 -2.127 5.198 -9.926 134 1HH2 ARG 21 1HH2 ARG 21 -4.033 2.685 -11.436 135 2HH2 ARG 21 2HH2 ARG 21 -4.069 4.088 -10.422 136 H SER 22 H SER 22 0.507 -0.969 -8.002 137 HA SER 22 HA SER 22 -0.058 -3.509 -9.112 138 1HB SER 22 1HB SER 22 0.928 -4.387 -6.988 139 2HB SER 22 2HB SER 22 1.942 -3.186 -7.788 140 HG SER 22 HG SER 22 0.568 -1.724 -6.261 141 H MET 23 H MET 23 -1.353 -1.798 -6.282 142 HA MET 23 HA MET 23 -2.987 -3.686 -5.187 143 1HB MET 23 1HB MET 23 -3.404 -0.729 -5.559 144 2HB MET 23 2HB MET 23 -4.566 -1.720 -4.687 145 1HG MET 23 1HG MET 23 -2.605 -2.462 -3.246 146 2HG MET 23 2HG MET 23 -1.715 -1.128 -3.977 147 1HE MET 23 1HE MET 23 -3.778 -2.409 -1.373 148 2HE MET 23 2HE MET 23 -2.591 -1.398 -0.549 149 3HE MET 23 3HE MET 23 -4.311 -1.029 -0.413 150 H VAL 24 H VAL 24 -3.533 -1.847 -8.132 151 HA VAL 24 HA VAL 24 -6.234 -2.646 -8.512 152 HB VAL 24 HB VAL 24 -4.210 -1.676 -10.534 153 1HG1 VAL 24 1HG1 VAL 24 -6.248 -2.976 -11.379 154 2HG1 VAL 24 2HG1 VAL 24 -7.194 -1.587 -10.842 155 3HG1 VAL 24 3HG1 VAL 24 -5.947 -1.383 -12.073 156 1HG2 VAL 24 1HG2 VAL 24 -6.443 -0.094 -9.297 157 2HG2 VAL 24 2HG2 VAL 24 -4.838 -0.171 -8.571 158 3HG2 VAL 24 3HG2 VAL 24 -5.042 0.493 -10.192 159 H LYS 25 H LYS 25 -3.135 -3.868 -9.714 160 HA LYS 25 HA LYS 25 -4.221 -5.857 -11.406 161 1HB LYS 25 1HB LYS 25 -1.806 -4.880 -11.272 162 2HB LYS 25 2HB LYS 25 -1.546 -6.145 -10.078 163 1HG LYS 25 1HG LYS 25 -2.064 -7.848 -11.683 164 2HG LYS 25 2HG LYS 25 -2.535 -6.637 -12.878 165 1HD LYS 25 1HD LYS 25 -0.212 -5.761 -12.826 166 2HD LYS 25 2HD LYS 25 0.225 -7.084 -11.742 167 1HE LYS 25 1HE LYS 25 0.836 -7.954 -13.781 168 2HE LYS 25 2HE LYS 25 -0.806 -8.576 -13.622 169 1HZ LYS 25 1HZ LYS 25 -0.217 -7.560 -15.827 170 2HZ LYS 25 2HZ LYS 25 -0.186 -6.057 -15.052 171 3HZ LYS 25 3HZ LYS 25 -1.619 -6.955 -15.099 172 H PHE 26 H PHE 26 -3.651 -5.705 -7.993 173 HA PHE 26 HA PHE 26 -4.705 -8.432 -7.734 174 1HB PHE 26 1HB PHE 26 -2.587 -7.435 -5.852 175 2HB PHE 26 2HB PHE 26 -3.095 -9.091 -6.166 176 HD1 PHE 26 HD1 PHE 26 -0.656 -6.644 -6.822 177 HD2 PHE 26 HD2 PHE 26 -2.650 -9.967 -8.582 178 HE1 PHE 26 HE1 PHE 26 1.195 -6.902 -8.424 179 HE2 PHE 26 HE2 PHE 26 -0.803 -10.230 -10.186 180 HZ PHE 26 HZ PHE 26 1.123 -8.697 -10.107 181 HA PRO 27 HA PRO 27 -7.203 -5.505 -5.216 182 1HB PRO 27 1HB PRO 27 -9.556 -6.767 -5.705 183 2HB PRO 27 2HB PRO 27 -8.868 -5.560 -6.798 184 1HG PRO 27 1HG PRO 27 -8.780 -8.547 -6.976 185 2HG PRO 27 2HG PRO 27 -9.076 -7.359 -8.258 186 1HD PRO 27 1HD PRO 27 -6.671 -8.552 -7.905 187 2HD PRO 27 2HD PRO 27 -6.833 -6.894 -8.519 188 H GLY 28 H GLY 28 -9.174 -6.334 -3.686 189 1HA GLY 28 1HA GLY 28 -7.887 -7.987 -1.737 190 2HA GLY 28 2HA GLY 28 -9.506 -7.312 -1.624 191 H GLY 29 H GLY 29 -8.568 -9.984 -0.901 192 1HA GLY 29 1HA GLY 29 -9.690 -12.025 -0.903 193 2HA GLY 29 2HA GLY 29 -10.646 -11.468 -2.269 194 H THR 30 H THR 30 -7.999 -10.699 -3.593 195 HA THR 30 HA THR 30 -7.735 -13.016 -5.177 196 HB THR 30 HB THR 30 -6.332 -10.408 -5.000 197 HG1 THR 30 HG1 THR 30 -7.016 -11.852 -7.332 198 1HG2 THR 30 1HG2 THR 30 -4.410 -11.857 -5.025 199 2HG2 THR 30 2HG2 THR 30 -4.618 -11.180 -6.640 200 3HG2 THR 30 3HG2 THR 30 -5.113 -12.839 -6.309 201 HA PRO 31 HA PRO 31 -4.994 -15.467 -2.735 202 1HB PRO 31 1HB PRO 31 -4.117 -17.127 -4.695 203 2HB PRO 31 2HB PRO 31 -5.731 -17.249 -3.984 204 1HG PRO 31 1HG PRO 31 -4.884 -15.966 -6.553 205 2HG PRO 31 2HG PRO 31 -6.294 -16.991 -6.226 206 1HD PRO 31 1HD PRO 31 -6.459 -14.293 -6.378 207 2HD PRO 31 2HD PRO 31 -7.502 -15.254 -5.311 208 H GLY 32 H GLY 32 -3.173 -14.500 -2.040 209 1HA GLY 32 1HA GLY 32 -0.863 -14.163 -2.067 210 2HA GLY 32 2HA GLY 32 -0.857 -14.505 -3.791 211 H ARG 33 H ARG 33 -3.095 -12.194 -2.488 212 HA ARG 33 HA ARG 33 -2.544 -10.155 -4.216 213 1HB ARG 33 1HB ARG 33 -4.477 -10.132 -2.733 214 2HB ARG 33 2HB ARG 33 -3.430 -9.916 -1.336 215 1HG ARG 33 1HG ARG 33 -2.669 -7.755 -2.435 216 2HG ARG 33 2HG ARG 33 -4.038 -7.962 -3.529 217 1HD ARG 33 1HD ARG 33 -5.456 -8.194 -1.413 218 2HD ARG 33 2HD ARG 33 -4.058 -7.548 -0.554 219 HE ARG 33 HE ARG 33 -4.718 -5.882 -2.738 220 1HH1 ARG 33 1HH1 ARG 33 -5.813 -6.779 0.442 221 2HH1 ARG 33 2HH1 ARG 33 -6.594 -5.262 0.744 222 1HH2 ARG 33 1HH2 ARG 33 -5.743 -3.880 -2.354 223 2HH2 ARG 33 2HH2 ARG 33 -6.555 -3.614 -0.848 224 H TRP 34 H TRP 34 -1.518 -9.912 -0.816 225 HA TRP 34 HA TRP 34 0.379 -7.916 -1.244 226 1HB TRP 34 1HB TRP 34 0.276 -10.012 0.935 227 2HB TRP 34 2HB TRP 34 1.292 -8.574 0.973 228 HD1 TRP 34 HD1 TRP 34 -1.727 -9.686 2.478 229 HE1 TRP 34 HE1 TRP 34 -3.320 -7.752 3.064 230 HE3 TRP 34 HE3 TRP 34 0.360 -6.015 -0.403 231 HZ2 TRP 34 HZ2 TRP 34 -3.649 -5.030 2.393 232 HZ3 TRP 34 HZ3 TRP 34 -0.655 -3.774 -0.375 233 HH2 TRP 34 HH2 TRP 34 -2.618 -3.294 0.995 234 H GLU 35 H GLU 35 0.599 -11.372 -1.613 235 HA GLU 35 HA GLU 35 3.431 -11.561 -1.632 236 1HB GLU 35 1HB GLU 35 1.161 -13.323 -2.383 237 2HB GLU 35 2HB GLU 35 2.726 -13.695 -3.093 238 1HG GLU 35 1HG GLU 35 3.696 -13.770 -0.824 239 2HG GLU 35 2HG GLU 35 2.085 -13.507 -0.159 240 H LYS 36 H LYS 36 1.028 -10.826 -4.061 241 HA LYS 36 HA LYS 36 2.906 -11.017 -6.251 242 1HB LYS 36 1HB LYS 36 0.072 -9.967 -6.154 243 2HB LYS 36 2HB LYS 36 1.018 -10.181 -7.621 244 1HG LYS 36 1HG LYS 36 0.738 -12.421 -7.642 245 2HG LYS 36 2HG LYS 36 0.745 -12.550 -5.881 246 1HD LYS 36 1HD LYS 36 -1.501 -12.162 -5.708 247 2HD LYS 36 2HD LYS 36 -1.550 -11.164 -7.163 248 1HE LYS 36 1HE LYS 36 -0.934 -13.479 -8.306 249 2HE LYS 36 2HE LYS 36 -1.726 -14.115 -6.865 250 1HZ LYS 36 1HZ LYS 36 -3.241 -12.006 -8.019 251 2HZ LYS 36 2HZ LYS 36 -3.702 -13.600 -7.693 252 3HZ LYS 36 3HZ LYS 36 -2.949 -13.221 -9.160 253 H ILE 37 H ILE 37 1.185 -8.434 -4.527 254 HA ILE 37 HA ILE 37 2.153 -6.269 -6.000 255 HB ILE 37 HB ILE 37 1.352 -6.423 -3.095 256 1HG1 ILE 37 1HG1 ILE 37 -0.133 -5.279 -5.466 257 2HG1 ILE 37 2HG1 ILE 37 -0.370 -6.916 -4.866 258 1HG2 ILE 37 1HG2 ILE 37 2.249 -4.402 -2.846 259 2HG2 ILE 37 2HG2 ILE 37 2.615 -4.282 -4.566 260 3HG2 ILE 37 3HG2 ILE 37 1.027 -3.805 -3.967 261 1HD1 ILE 37 1HD1 ILE 37 -0.770 -5.602 -2.595 262 2HD1 ILE 37 2HD1 ILE 37 -1.233 -4.331 -3.727 263 3HD1 ILE 37 3HD1 ILE 37 -2.056 -5.891 -3.766 264 H ALA 38 H ALA 38 3.548 -7.992 -3.257 265 HA ALA 38 HA ALA 38 5.688 -6.219 -2.769 266 1HB ALA 38 1HB ALA 38 4.730 -8.317 -1.439 267 2HB ALA 38 2HB ALA 38 6.084 -9.108 -2.247 268 3HB ALA 38 3HB ALA 38 6.371 -7.715 -1.204 269 H HIS 39 H HIS 39 5.509 -9.217 -4.678 270 HA HIS 39 HA HIS 39 8.177 -9.257 -5.524 271 1HB HIS 39 1HB HIS 39 6.739 -11.198 -5.778 272 2HB HIS 39 2HB HIS 39 5.699 -10.320 -6.895 273 HD1 HIS 39 HD1 HIS 39 8.401 -12.657 -6.868 274 HD2 HIS 39 HD2 HIS 39 7.265 -9.508 -9.329 275 HE1 HIS 39 HE1 HIS 39 9.604 -13.037 -9.044 276 H GLU 40 H GLU 40 5.442 -7.416 -6.631 277 HA GLU 40 HA GLU 40 6.683 -6.608 -9.104 278 1HB GLU 40 1HB GLU 40 4.179 -5.739 -7.667 279 2HB GLU 40 2HB GLU 40 4.726 -4.976 -9.153 280 1HG GLU 40 1HG GLU 40 4.191 -7.923 -8.908 281 2HG GLU 40 2HG GLU 40 2.981 -6.750 -9.425 282 H LEU 41 H LEU 41 5.855 -4.989 -6.042 283 HA LEU 41 HA LEU 41 7.139 -2.549 -6.715 284 1HB LEU 41 1HB LEU 41 6.367 -3.691 -4.035 285 2HB LEU 41 2HB LEU 41 6.912 -2.036 -4.304 286 HG LEU 41 HG LEU 41 4.354 -3.301 -5.273 287 1HD1 LEU 41 1HD1 LEU 41 5.072 -1.857 -2.931 288 2HD1 LEU 41 2HD1 LEU 41 3.490 -2.470 -3.412 289 3HD1 LEU 41 3HD1 LEU 41 3.995 -0.853 -3.903 290 1HD2 LEU 41 1HD2 LEU 41 4.972 -1.935 -7.064 291 2HD2 LEU 41 2HD2 LEU 41 5.675 -0.709 -6.008 292 3HD2 LEU 41 3HD2 LEU 41 3.924 -0.910 -6.085 293 H GLY 42 H GLY 42 8.248 -5.558 -5.419 294 1HA GLY 42 1HA GLY 42 10.503 -6.222 -5.364 295 2HA GLY 42 2HA GLY 42 10.980 -4.532 -5.438 296 H ARG 43 H ARG 43 8.553 -5.468 -3.162 297 HA ARG 43 HA ARG 43 10.545 -5.303 -0.996 298 1HB ARG 43 1HB ARG 43 7.748 -4.167 -1.100 299 2HB ARG 43 2HB ARG 43 8.695 -4.285 0.377 300 1HG ARG 43 1HG ARG 43 10.362 -2.795 -0.516 301 2HG ARG 43 2HG ARG 43 9.536 -2.756 -2.075 302 1HD ARG 43 1HD ARG 43 7.541 -1.810 -0.891 303 2HD ARG 43 2HD ARG 43 8.539 -1.681 0.557 304 HE ARG 43 HE ARG 43 8.529 0.091 -1.658 305 1HH1 ARG 43 1HH1 ARG 43 10.632 -1.366 0.704 306 2HH1 ARG 43 2HH1 ARG 43 11.782 -0.071 0.669 307 1HH2 ARG 43 1HH2 ARG 43 10.036 1.802 -1.712 308 2HH2 ARG 43 2HH2 ARG 43 11.442 1.731 -0.705 309 H SER 44 H SER 44 9.200 -6.007 1.161 310 HA SER 44 HA SER 44 8.472 -8.782 0.614 311 1HB SER 44 1HB SER 44 9.294 -7.304 3.108 312 2HB SER 44 2HB SER 44 8.604 -8.926 3.180 313 HG SER 44 HG SER 44 10.669 -9.405 2.951 314 H VAL 45 H VAL 45 6.557 -9.723 1.293 315 HA VAL 45 HA VAL 45 4.189 -8.525 0.954 316 HB VAL 45 HB VAL 45 4.739 -10.602 3.078 317 1HG1 VAL 45 1HG1 VAL 45 2.509 -9.270 3.104 318 2HG1 VAL 45 2HG1 VAL 45 2.115 -10.250 1.690 319 3HG1 VAL 45 3HG1 VAL 45 2.472 -11.028 3.232 320 1HG2 VAL 45 1HG2 VAL 45 3.667 -12.003 1.102 321 2HG2 VAL 45 2HG2 VAL 45 4.362 -10.704 0.132 322 3HG2 VAL 45 3HG2 VAL 45 5.399 -11.677 1.175 323 H THR 46 H THR 46 5.161 -9.167 4.314 324 HA THR 46 HA THR 46 3.438 -7.499 5.598 325 HB THR 46 HB THR 46 4.823 -8.924 6.912 326 HG1 THR 46 HG1 THR 46 5.497 -7.452 8.487 327 1HG2 THR 46 1HG2 THR 46 7.076 -9.113 6.773 328 2HG2 THR 46 2HG2 THR 46 7.314 -7.377 6.573 329 3HG2 THR 46 3HG2 THR 46 6.830 -8.365 5.196 330 H ASP 47 H ASP 47 6.559 -6.609 4.184 331 HA ASP 47 HA ASP 47 6.753 -3.996 5.089 332 1HB ASP 47 1HB ASP 47 8.348 -5.480 3.593 333 2HB ASP 47 2HB ASP 47 7.554 -4.618 2.278 334 H VAL 48 H VAL 48 5.022 -5.268 2.277 335 HA VAL 48 HA VAL 48 4.156 -2.697 1.367 336 HB VAL 48 HB VAL 48 2.631 -5.132 0.606 337 1HG1 VAL 48 1HG1 VAL 48 3.648 -3.704 -1.601 338 2HG1 VAL 48 2HG1 VAL 48 1.993 -3.722 -0.987 339 3HG1 VAL 48 3HG1 VAL 48 3.136 -2.508 -0.411 340 1HG2 VAL 48 1HG2 VAL 48 5.561 -4.793 0.225 341 2HG2 VAL 48 2HG2 VAL 48 4.616 -6.262 0.474 342 3HG2 VAL 48 3HG2 VAL 48 4.616 -5.470 -1.102 343 H THR 49 H THR 49 2.208 -5.454 2.518 344 HA THR 49 HA THR 49 -0.169 -4.179 2.932 345 HB THR 49 HB THR 49 -0.372 -6.431 3.310 346 HG1 THR 49 HG1 THR 49 0.010 -5.882 6.036 347 1HG2 THR 49 1HG2 THR 49 2.257 -6.160 4.685 348 2HG2 THR 49 2HG2 THR 49 1.746 -7.303 3.444 349 3HG2 THR 49 3HG2 THR 49 1.224 -7.523 5.114 350 H THR 50 H THR 50 2.563 -4.343 5.182 351 HA THR 50 HA THR 50 1.343 -3.040 7.346 352 HB THR 50 HB THR 50 4.261 -3.120 6.557 353 HG1 THR 50 HG1 THR 50 4.313 -4.958 7.668 354 1HG2 THR 50 1HG2 THR 50 4.224 -2.811 9.259 355 2HG2 THR 50 2HG2 THR 50 2.859 -1.801 8.780 356 3HG2 THR 50 3HG2 THR 50 4.461 -1.496 8.109 357 H LYS 51 H LYS 51 2.733 -1.824 4.400 358 HA LYS 51 HA LYS 51 2.843 0.912 5.342 359 1HB LYS 51 1HB LYS 51 4.539 0.292 3.784 360 2HB LYS 51 2HB LYS 51 3.360 -0.377 2.664 361 1HG LYS 51 1HG LYS 51 4.236 1.765 1.891 362 2HG LYS 51 2HG LYS 51 2.500 1.845 2.203 363 1HD LYS 51 1HD LYS 51 3.312 3.808 3.159 364 2HD LYS 51 2HD LYS 51 3.180 2.709 4.534 365 1HE LYS 51 1HE LYS 51 5.644 2.137 4.017 366 2HE LYS 51 2HE LYS 51 5.633 3.627 3.075 367 1HZ LYS 51 1HZ LYS 51 4.521 3.915 5.714 368 2HZ LYS 51 2HZ LYS 51 5.664 4.869 4.912 369 3HZ LYS 51 3HZ LYS 51 6.152 3.464 5.718 370 H ALA 52 H ALA 52 0.943 -0.940 2.974 371 HA ALA 52 HA ALA 52 -0.741 1.138 2.155 372 1HB ALA 52 1HB ALA 52 -0.466 -1.140 1.092 373 2HB ALA 52 2HB ALA 52 -1.571 -1.747 2.326 374 3HB ALA 52 3HB ALA 52 -2.115 -0.520 1.183 375 H LYS 53 H LYS 53 -1.179 -1.285 4.718 376 HA LYS 53 HA LYS 53 -3.713 -0.730 5.568 377 1HB LYS 53 1HB LYS 53 -2.943 -1.384 7.852 378 2HB LYS 53 2HB LYS 53 -2.448 -2.500 6.586 379 1HG LYS 53 1HG LYS 53 -0.491 -2.339 7.720 380 2HG LYS 53 2HG LYS 53 -0.278 -0.986 6.606 381 1HD LYS 53 1HD LYS 53 0.269 -0.013 8.624 382 2HD LYS 53 2HD LYS 53 -1.447 0.382 8.499 383 1HE LYS 53 1HE LYS 53 -1.298 -0.404 10.663 384 2HE LYS 53 2HE LYS 53 -1.777 -1.856 9.785 385 1HZ LYS 53 1HZ LYS 53 0.411 -1.572 11.417 386 2HZ LYS 53 2HZ LYS 53 1.053 -1.571 9.852 387 3HZ LYS 53 3HZ LYS 53 0.094 -2.864 10.372 388 H GLN 54 H GLN 54 -0.824 1.184 6.078 389 HA GLN 54 HA GLN 54 -1.956 2.940 8.015 390 1HB GLN 54 1HB GLN 54 0.396 3.393 6.170 391 2HB GLN 54 2HB GLN 54 0.010 4.338 7.602 392 1HG GLN 54 1HG GLN 54 0.252 2.206 8.926 393 2HG GLN 54 2HG GLN 54 0.925 1.483 7.465 394 1HE2 GLN 54 1HE2 GLN 54 2.613 1.310 9.347 395 2HE2 GLN 54 2HE2 GLN 54 3.832 2.534 9.322 396 H LEU 55 H LEU 55 -1.509 3.105 4.505 397 HA LEU 55 HA LEU 55 -2.464 5.723 4.147 398 1HB LEU 55 1HB LEU 55 -2.685 3.430 2.206 399 2HB LEU 55 2HB LEU 55 -2.719 5.150 1.821 400 HG LEU 55 HG LEU 55 -0.313 3.798 3.024 401 1HD1 LEU 55 1HD1 LEU 55 -0.083 2.716 1.088 402 2HD1 LEU 55 2HD1 LEU 55 0.290 4.293 0.392 403 3HD1 LEU 55 3HD1 LEU 55 -1.353 3.659 0.307 404 1HD2 LEU 55 1HD2 LEU 55 -0.931 6.478 1.869 405 2HD2 LEU 55 2HD2 LEU 55 0.700 5.825 1.713 406 3HD2 LEU 55 3HD2 LEU 55 -0.008 6.058 3.312 407 H LYS 56 H LYS 56 -4.120 2.605 4.213 408 HA LYS 56 HA LYS 56 -6.633 3.348 3.333 409 1HB LYS 56 1HB LYS 56 -5.664 1.279 5.270 410 2HB LYS 56 2HB LYS 56 -7.392 1.533 5.071 411 1HG LYS 56 1HG LYS 56 -6.910 1.253 2.550 412 2HG LYS 56 2HG LYS 56 -5.393 0.527 3.089 413 1HD LYS 56 1HD LYS 56 -6.681 -1.070 4.461 414 2HD LYS 56 2HD LYS 56 -8.177 -0.369 3.840 415 1HE LYS 56 1HE LYS 56 -7.284 -0.923 1.522 416 2HE LYS 56 2HE LYS 56 -6.067 -1.901 2.341 417 1HZ LYS 56 1HZ LYS 56 -7.646 -3.380 3.104 418 2HZ LYS 56 2HZ LYS 56 -8.239 -3.005 1.564 419 3HZ LYS 56 3HZ LYS 56 -8.928 -2.288 2.933 420 H ASP 57 H ASP 57 -5.236 3.651 6.568 421 HA ASP 57 HA ASP 57 -7.642 4.740 7.704 422 1HB ASP 57 1HB ASP 57 -6.191 3.513 9.169 423 2HB ASP 57 2HB ASP 57 -4.812 4.521 8.738 424 H SER 58 H SER 58 -4.491 6.039 6.714 425 HA SER 58 HA SER 58 -4.504 8.593 7.489 426 1HB SER 58 1HB SER 58 -2.792 7.723 5.991 427 2HB SER 58 2HB SER 58 -3.950 7.657 4.663 428 HG SER 58 HG SER 58 -2.439 9.708 5.448 429 H VAL 59 H VAL 59 -6.143 7.625 4.469 430 HA VAL 59 HA VAL 59 -7.402 10.016 3.909 431 HB VAL 59 HB VAL 59 -9.067 8.719 2.645 432 1HG1 VAL 59 1HG1 VAL 59 -6.347 8.857 2.206 433 2HG1 VAL 59 2HG1 VAL 59 -6.721 7.151 1.947 434 3HG1 VAL 59 3HG1 VAL 59 -7.570 8.392 1.023 435 1HG2 VAL 59 1HG2 VAL 59 -9.698 6.768 3.535 436 2HG2 VAL 59 2HG2 VAL 59 -8.243 6.098 2.797 437 3HG2 VAL 59 3HG2 VAL 59 -8.216 6.622 4.481 438 H THR 60 H THR 60 -9.930 10.186 3.896 439 HA THR 60 HA THR 60 -10.804 9.825 6.683 440 HB THR 60 HB THR 60 -10.674 12.170 5.939 441 HG1 THR 60 HG1 THR 60 -12.233 11.971 7.434 442 1HG2 THR 60 1HG2 THR 60 -13.007 11.779 4.128 443 2HG2 THR 60 2HG2 THR 60 -11.397 11.401 3.515 444 3HG2 THR 60 3HG2 THR 60 -11.758 13.023 4.106 445 H CYS 61 H CYS 61 -11.033 7.657 4.937 446 HA CYS 61 HA CYS 61 -13.957 7.477 4.670 447 1HB CYS 61 1HB CYS 61 -11.852 6.498 2.743 448 2HB CYS 61 2HB CYS 61 -13.510 5.911 2.717 449 HG CYS 61 HG CYS 61 -14.544 7.880 1.412 450 H SER 62 H SER 62 -14.113 6.439 6.671 451 HA SER 62 HA SER 62 -13.297 3.629 6.613 452 1HB SER 62 1HB SER 62 -12.560 3.733 8.968 453 2HB SER 62 2HB SER 62 -11.575 4.767 7.933 454 HG SER 62 HG SER 62 -13.815 5.894 9.161 455 HA PRO 63 HA PRO 63 -17.433 2.977 7.965 456 1HB PRO 63 1HB PRO 63 -17.157 0.490 9.020 457 2HB PRO 63 2HB PRO 63 -17.153 0.801 7.280 458 1HG PRO 63 1HG PRO 63 -14.841 0.377 9.133 459 2HG PRO 63 2HG PRO 63 -15.103 -0.273 7.504 460 1HD PRO 63 1HD PRO 63 -13.492 1.850 7.983 461 2HD PRO 63 2HD PRO 63 -14.420 1.676 6.480 462 H GLY 64 H GLY 64 -18.511 1.864 10.042 463 1HA GLY 64 1HA GLY 64 -18.874 1.931 12.316 464 2HA GLY 64 2HA GLY 64 -17.157 2.240 12.526 465 H MET 65 H MET 65 -18.654 3.521 14.247 466 HA MET 65 HA MET 65 -19.252 6.181 13.180 467 1HB MET 65 1HB MET 65 -20.015 4.695 15.658 468 2HB MET 65 2HB MET 65 -20.024 6.453 15.689 469 1HG MET 65 1HG MET 65 -22.215 5.818 15.159 470 2HG MET 65 2HG MET 65 -21.497 6.352 13.641 471 1HE MET 65 1HE MET 65 -24.201 3.546 14.020 472 2HE MET 65 2HE MET 65 -23.931 5.236 13.592 473 3HE MET 65 3HE MET 65 -23.883 3.991 12.343 474 H VAL 66 H VAL 66 -17.020 6.742 12.859 475 HA VAL 66 HA VAL 66 -14.891 7.382 13.511 476 HB VAL 66 HB VAL 66 -14.950 9.391 14.896 477 1HG1 VAL 66 1HG1 VAL 66 -16.367 8.973 12.502 478 2HG1 VAL 66 2HG1 VAL 66 -17.357 10.046 13.494 479 3HG1 VAL 66 3HG1 VAL 66 -15.691 10.483 13.112 480 1HG2 VAL 66 1HG2 VAL 66 -17.214 10.132 15.765 481 2HG2 VAL 66 2HG2 VAL 66 -17.741 8.465 15.534 482 3HG2 VAL 66 3HG2 VAL 66 -16.426 8.828 16.652 483 H SER 67 H SER 67 -15.540 4.978 14.812 484 HA SER 67 HA SER 67 -14.547 5.378 17.548 485 1HB SER 67 1HB SER 67 -15.298 3.009 17.904 486 2HB SER 67 2HB SER 67 -16.603 4.120 17.488 487 HG SER 67 HG SER 67 -15.330 2.806 15.389 488 H GLY 68 H GLY 68 -12.630 4.556 18.211 489 1HA GLY 68 1HA GLY 68 -10.985 3.257 16.138 490 2HA GLY 68 2HA GLY 68 -10.357 4.213 17.472 491 HA PRO 69 HA PRO 69 -10.713 -0.489 18.406 492 1HB PRO 69 1HB PRO 69 -8.247 -1.334 17.651 493 2HB PRO 69 2HB PRO 69 -9.646 -1.366 16.571 494 1HG PRO 69 1HG PRO 69 -7.428 0.638 16.739 495 2HG PRO 69 2HG PRO 69 -8.184 -0.077 15.303 496 1HD PRO 69 1HD PRO 69 -8.814 2.398 16.202 497 2HD PRO 69 2HD PRO 69 -9.994 1.347 15.392 498 H SER 70 H SER 70 -7.692 1.410 18.500 499 HA SER 70 HA SER 70 -7.402 0.648 21.331 500 1HB SER 70 1HB SER 70 -4.991 1.095 21.053 501 2HB SER 70 2HB SER 70 -5.554 -0.141 19.927 502 HG SER 70 HG SER 70 -4.242 1.993 19.305 503 H SER 71 H SER 71 -7.996 2.206 22.674 504 HA SER 71 HA SER 71 -8.041 4.972 21.824 505 1HB SER 71 1HB SER 71 -9.046 5.370 24.076 506 2HB SER 71 2HB SER 71 -9.919 4.167 23.127 507 HG SER 71 HG SER 71 -7.933 3.098 24.676 508 H GLY 72 H GLY 72 -6.018 2.881 23.694 509 1HA GLY 72 1HA GLY 72 -4.118 3.255 24.940 510 2HA GLY 72 2HA GLY 72 -3.794 4.482 23.725 Start of MODEL 13 1 1H GLY 1 1H GLY 1 13.187 -7.726 10.836 2 1HA GLY 1 1HA GLY 1 13.199 -9.711 9.275 3 2HA GLY 1 2HA GLY 1 14.663 -8.742 9.203 4 H SER 2 H SER 2 14.422 -11.517 8.538 5 HA SER 2 HA SER 2 15.574 -13.021 10.717 6 1HB SER 2 1HB SER 2 14.024 -14.050 9.051 7 2HB SER 2 2HB SER 2 15.261 -13.825 7.815 8 HG SER 2 HG SER 2 16.577 -15.037 9.580 9 H SER 3 H SER 3 17.594 -12.445 11.258 10 HA SER 3 HA SER 3 19.822 -11.986 11.113 11 1HB SER 3 1HB SER 3 19.335 -14.124 9.093 12 2HB SER 3 2HB SER 3 20.912 -13.335 9.086 13 HG SER 3 HG SER 3 20.291 -15.291 10.583 14 H GLY 4 H GLY 4 18.370 -9.947 10.087 15 1HA GLY 4 1HA GLY 4 20.098 -9.033 7.887 16 2HA GLY 4 2HA GLY 4 18.354 -8.867 7.741 17 H SER 5 H SER 5 21.125 -7.282 8.563 18 HA SER 5 HA SER 5 20.334 -5.748 10.796 19 1HB SER 5 1HB SER 5 22.685 -6.001 9.836 20 2HB SER 5 2HB SER 5 22.213 -4.805 8.629 21 HG SER 5 HG SER 5 22.110 -4.416 11.440 22 H SER 6 H SER 6 20.255 -5.025 7.312 23 HA SER 6 HA SER 6 18.653 -2.644 7.824 24 1HB SER 6 1HB SER 6 20.103 -3.737 5.438 25 2HB SER 6 2HB SER 6 18.828 -2.541 5.209 26 HG SER 6 HG SER 6 21.267 -2.285 6.606 27 H GLY 7 H GLY 7 18.429 -5.543 5.751 28 1HA GLY 7 1HA GLY 7 16.563 -6.885 5.378 29 2HA GLY 7 2HA GLY 7 15.606 -5.782 6.355 30 H ALA 8 H ALA 8 14.940 -3.748 5.368 31 HA ALA 8 HA ALA 8 14.973 -3.731 2.440 32 1HB ALA 8 1HB ALA 8 12.613 -3.492 2.238 33 2HB ALA 8 2HB ALA 8 12.913 -4.916 3.234 34 3HB ALA 8 3HB ALA 8 12.411 -3.403 3.988 35 HA PRO 9 HA PRO 9 15.670 0.575 3.053 36 1HB PRO 9 1HB PRO 9 14.981 1.467 0.583 37 2HB PRO 9 2HB PRO 9 16.483 0.593 0.905 38 1HG PRO 9 1HG PRO 9 13.903 -0.425 -0.220 39 2HG PRO 9 2HG PRO 9 15.563 -0.773 -0.737 40 1HD PRO 9 1HD PRO 9 14.128 -2.480 0.798 41 2HD PRO 9 2HD PRO 9 15.892 -2.327 0.932 42 H GLU 10 H GLU 10 14.532 2.713 2.707 43 HA GLU 10 HA GLU 10 11.929 2.576 3.845 44 1HB GLU 10 1HB GLU 10 11.956 5.054 3.599 45 2HB GLU 10 2HB GLU 10 13.370 4.414 4.425 46 1HG GLU 10 1HG GLU 10 14.409 5.854 3.029 47 2HG GLU 10 2HG GLU 10 14.356 4.449 1.966 48 H TRP 11 H TRP 11 10.288 4.310 2.773 49 HA TRP 11 HA TRP 11 9.668 3.151 0.158 50 1HB TRP 11 1HB TRP 11 8.034 4.568 2.247 51 2HB TRP 11 2HB TRP 11 7.435 4.394 0.599 52 HD1 TRP 11 HD1 TRP 11 8.185 2.361 3.745 53 HE1 TRP 11 HE1 TRP 11 7.089 0.044 3.512 54 HE3 TRP 11 HE3 TRP 11 6.684 2.660 -1.133 55 HZ2 TRP 11 HZ2 TRP 11 5.765 -1.459 1.523 56 HZ3 TRP 11 HZ3 TRP 11 5.509 0.739 -2.125 57 HH2 TRP 11 HH2 TRP 11 5.061 -1.277 -0.823 58 H THR 12 H THR 12 9.803 4.273 -1.678 59 HA THR 12 HA THR 12 10.237 7.184 -1.490 60 HB THR 12 HB THR 12 11.602 7.053 -3.505 61 HG1 THR 12 HG1 THR 12 11.057 5.360 -4.699 62 1HG2 THR 12 1HG2 THR 12 13.539 6.001 -2.577 63 2HG2 THR 12 2HG2 THR 12 12.551 4.962 -1.550 64 3HG2 THR 12 3HG2 THR 12 12.624 6.696 -1.240 65 H GLU 13 H GLU 13 9.341 8.508 -3.116 66 HA GLU 13 HA GLU 13 6.781 8.267 -3.805 67 1HB GLU 13 1HB GLU 13 9.068 9.565 -5.189 68 2HB GLU 13 2HB GLU 13 7.559 9.441 -6.082 69 1HG GLU 13 1HG GLU 13 6.428 10.829 -4.635 70 2HG GLU 13 2HG GLU 13 7.543 10.524 -3.304 71 H GLU 14 H GLU 14 9.441 6.765 -5.576 72 HA GLU 14 HA GLU 14 7.936 5.765 -7.730 73 1HB GLU 14 1HB GLU 14 10.434 5.899 -7.626 74 2HB GLU 14 2HB GLU 14 10.415 4.531 -6.523 75 1HG GLU 14 1HG GLU 14 9.118 3.325 -8.393 76 2HG GLU 14 2HG GLU 14 9.726 4.614 -9.430 77 H ASP 15 H ASP 15 8.865 4.276 -4.643 78 HA ASP 15 HA ASP 15 7.469 1.836 -5.179 79 1HB ASP 15 1HB ASP 15 8.986 2.991 -2.903 80 2HB ASP 15 2HB ASP 15 7.798 1.750 -2.513 81 H LEU 16 H LEU 16 6.667 4.887 -3.717 82 HA LEU 16 HA LEU 16 4.247 3.917 -2.479 83 1HB LEU 16 1HB LEU 16 5.602 6.558 -2.746 84 2HB LEU 16 2HB LEU 16 3.891 6.518 -2.327 85 HG LEU 16 HG LEU 16 6.045 5.118 -0.749 86 1HD1 LEU 16 1HD1 LEU 16 5.227 7.115 0.849 87 2HD1 LEU 16 2HD1 LEU 16 5.093 7.908 -0.720 88 3HD1 LEU 16 3HD1 LEU 16 6.635 7.225 -0.206 89 1HD2 LEU 16 1HD2 LEU 16 3.109 5.601 -0.341 90 2HD2 LEU 16 2HD2 LEU 16 4.193 5.235 1.001 91 3HD2 LEU 16 3HD2 LEU 16 3.990 4.074 -0.311 92 H SER 17 H SER 17 5.193 5.351 -5.497 93 HA SER 17 HA SER 17 2.477 6.004 -6.267 94 1HB SER 17 1HB SER 17 5.165 6.256 -7.589 95 2HB SER 17 2HB SER 17 3.685 6.442 -8.531 96 HG SER 17 HG SER 17 3.348 8.315 -7.624 97 H GLN 18 H GLN 18 4.816 3.460 -6.791 98 HA GLN 18 HA GLN 18 3.477 2.210 -8.964 99 1HB GLN 18 1HB GLN 18 5.628 1.385 -7.051 100 2HB GLN 18 2HB GLN 18 4.882 0.179 -8.091 101 1HG GLN 18 1HG GLN 18 5.941 2.702 -9.275 102 2HG GLN 18 2HG GLN 18 7.047 1.399 -8.843 103 1HE2 GLN 18 1HE2 GLN 18 5.863 -0.839 -9.526 104 2HE2 GLN 18 2HE2 GLN 18 5.465 -0.880 -11.207 105 H LEU 19 H LEU 19 3.508 1.626 -5.464 106 HA LEU 19 HA LEU 19 2.069 -0.650 -5.203 107 1HB LEU 19 1HB LEU 19 2.875 0.603 -3.300 108 2HB LEU 19 2HB LEU 19 1.722 1.896 -3.627 109 HG LEU 19 HG LEU 19 -0.118 0.282 -3.133 110 1HD1 LEU 19 1HD1 LEU 19 0.871 -1.822 -3.511 111 2HD1 LEU 19 2HD1 LEU 19 0.600 -1.729 -1.771 112 3HD1 LEU 19 3HD1 LEU 19 2.217 -1.474 -2.426 113 1HD2 LEU 19 1HD2 LEU 19 0.416 1.793 -1.415 114 2HD2 LEU 19 2HD2 LEU 19 1.932 0.970 -1.045 115 3HD2 LEU 19 3HD2 LEU 19 0.392 0.209 -0.641 116 H THR 20 H THR 20 0.614 2.585 -5.555 117 HA THR 20 HA THR 20 -2.046 1.925 -5.544 118 HB THR 20 HB THR 20 -0.762 3.963 -7.373 119 HG1 THR 20 HG1 THR 20 -0.544 3.948 -4.863 120 1HG2 THR 20 1HG2 THR 20 -3.028 5.101 -6.975 121 2HG2 THR 20 2HG2 THR 20 -3.586 3.513 -6.450 122 3HG2 THR 20 3HG2 THR 20 -2.983 3.738 -8.092 123 H ARG 21 H ARG 21 0.268 1.536 -8.162 124 HA ARG 21 HA ARG 21 -1.680 0.834 -10.133 125 1HB ARG 21 1HB ARG 21 1.292 0.280 -10.111 126 2HB ARG 21 2HB ARG 21 0.231 0.204 -11.511 127 1HG ARG 21 1HG ARG 21 -0.256 2.711 -10.827 128 2HG ARG 21 2HG ARG 21 1.342 2.559 -10.094 129 1HD ARG 21 1HD ARG 21 1.805 3.333 -12.238 130 2HD ARG 21 2HD ARG 21 2.056 1.592 -12.370 131 HE ARG 21 HE ARG 21 -0.604 2.432 -13.062 132 1HH1 ARG 21 1HH1 ARG 21 2.643 1.957 -14.225 133 2HH1 ARG 21 2HH1 ARG 21 2.162 1.768 -15.879 134 1HH2 ARG 21 1HH2 ARG 21 -1.249 2.185 -15.235 135 2HH2 ARG 21 2HH2 ARG 21 -0.052 1.899 -16.452 136 H SER 22 H SER 22 0.614 -1.015 -8.148 137 HA SER 22 HA SER 22 -0.018 -3.556 -9.138 138 1HB SER 22 1HB SER 22 0.937 -4.399 -6.992 139 2HB SER 22 2HB SER 22 1.964 -3.204 -7.785 140 HG SER 22 HG SER 22 0.266 -2.836 -5.549 141 H MET 23 H MET 23 -1.322 -1.800 -6.336 142 HA MET 23 HA MET 23 -2.992 -3.644 -5.238 143 1HB MET 23 1HB MET 23 -3.509 -0.707 -5.711 144 2HB MET 23 2HB MET 23 -4.522 -1.718 -4.689 145 1HG MET 23 1HG MET 23 -2.515 -2.225 -3.312 146 2HG MET 23 2HG MET 23 -1.620 -1.052 -4.276 147 1HE MET 23 1HE MET 23 -4.743 -1.036 -1.360 148 2HE MET 23 2HE MET 23 -3.203 -1.896 -1.395 149 3HE MET 23 3HE MET 23 -3.353 -0.393 -0.484 150 H VAL 24 H VAL 24 -3.499 -1.844 -8.216 151 HA VAL 24 HA VAL 24 -6.196 -2.644 -8.617 152 HB VAL 24 HB VAL 24 -4.146 -1.714 -10.633 153 1HG1 VAL 24 1HG1 VAL 24 -6.149 -3.009 -11.511 154 2HG1 VAL 24 2HG1 VAL 24 -7.134 -1.657 -10.951 155 3HG1 VAL 24 3HG1 VAL 24 -5.893 -1.397 -12.177 156 1HG2 VAL 24 1HG2 VAL 24 -6.384 -0.027 -9.622 157 2HG2 VAL 24 2HG2 VAL 24 -4.951 -0.233 -8.615 158 3HG2 VAL 24 3HG2 VAL 24 -4.801 0.450 -10.234 159 H LYS 25 H LYS 25 -3.086 -3.898 -9.754 160 HA LYS 25 HA LYS 25 -4.162 -5.910 -11.430 161 1HB LYS 25 1HB LYS 25 -1.735 -4.926 -11.252 162 2HB LYS 25 2HB LYS 25 -1.505 -6.218 -10.081 163 1HG LYS 25 1HG LYS 25 -2.098 -7.873 -11.752 164 2HG LYS 25 2HG LYS 25 -2.409 -6.595 -12.930 165 1HD LYS 25 1HD LYS 25 -0.101 -5.949 -12.930 166 2HD LYS 25 2HD LYS 25 0.255 -7.036 -11.586 167 1HE LYS 25 1HE LYS 25 -0.694 -8.849 -13.242 168 2HE LYS 25 2HE LYS 25 -0.247 -7.654 -14.458 169 1HZ LYS 25 1HZ LYS 25 1.529 -9.260 -14.020 170 2HZ LYS 25 2HZ LYS 25 1.593 -8.760 -12.406 171 3HZ LYS 25 3HZ LYS 25 2.006 -7.681 -13.642 172 H PHE 26 H PHE 26 -3.605 -5.708 -8.014 173 HA PHE 26 HA PHE 26 -4.682 -8.423 -7.719 174 1HB PHE 26 1HB PHE 26 -2.551 -7.408 -5.857 175 2HB PHE 26 2HB PHE 26 -3.085 -9.064 -6.123 176 HD1 PHE 26 HD1 PHE 26 -0.611 -6.674 -6.851 177 HD2 PHE 26 HD2 PHE 26 -2.661 -10.011 -8.518 178 HE1 PHE 26 HE1 PHE 26 1.231 -7.003 -8.450 179 HE2 PHE 26 HE2 PHE 26 -0.823 -10.346 -10.118 180 HZ PHE 26 HZ PHE 26 1.127 -8.841 -10.085 181 HA PRO 27 HA PRO 27 -7.166 -5.444 -5.250 182 1HB PRO 27 1HB PRO 27 -9.525 -6.702 -5.719 183 2HB PRO 27 2HB PRO 27 -8.830 -5.518 -6.833 184 1HG PRO 27 1HG PRO 27 -8.756 -8.508 -6.959 185 2HG PRO 27 2HG PRO 27 -9.045 -7.340 -8.261 186 1HD PRO 27 1HD PRO 27 -6.647 -8.539 -7.886 187 2HD PRO 27 2HD PRO 27 -6.801 -6.891 -8.528 188 H GLY 28 H GLY 28 -9.110 -6.206 -3.682 189 1HA GLY 28 1HA GLY 28 -7.842 -7.847 -1.718 190 2HA GLY 28 2HA GLY 28 -9.453 -7.153 -1.609 191 H GLY 29 H GLY 29 -8.549 -9.819 -0.839 192 1HA GLY 29 1HA GLY 29 -9.692 -11.848 -0.802 193 2HA GLY 29 2HA GLY 29 -10.645 -11.306 -2.175 194 H THR 30 H THR 30 -8.009 -10.591 -3.534 195 HA THR 30 HA THR 30 -7.773 -12.934 -5.076 196 HB THR 30 HB THR 30 -6.325 -10.347 -4.936 197 HG1 THR 30 HG1 THR 30 -6.718 -10.625 -7.275 198 1HG2 THR 30 1HG2 THR 30 -4.459 -11.920 -4.939 199 2HG2 THR 30 2HG2 THR 30 -4.596 -11.121 -6.505 200 3HG2 THR 30 3HG2 THR 30 -5.167 -12.778 -6.306 201 HA PRO 31 HA PRO 31 -5.064 -15.392 -2.607 202 1HB PRO 31 1HB PRO 31 -4.207 -17.086 -4.547 203 2HB PRO 31 2HB PRO 31 -5.823 -17.178 -3.837 204 1HG PRO 31 1HG PRO 31 -4.956 -15.936 -6.419 205 2HG PRO 31 2HG PRO 31 -6.380 -16.938 -6.082 206 1HD PRO 31 1HD PRO 31 -6.509 -14.240 -6.265 207 2HD PRO 31 2HD PRO 31 -7.566 -15.176 -5.188 208 H GLY 32 H GLY 32 -3.238 -14.424 -1.922 209 1HA GLY 32 1HA GLY 32 -0.924 -14.115 -1.946 210 2HA GLY 32 2HA GLY 32 -0.915 -14.491 -3.663 211 H ARG 33 H ARG 33 -3.131 -12.129 -2.415 212 HA ARG 33 HA ARG 33 -2.560 -10.131 -4.179 213 1HB ARG 33 1HB ARG 33 -4.481 -10.056 -2.679 214 2HB ARG 33 2HB ARG 33 -3.420 -9.816 -1.298 215 1HG ARG 33 1HG ARG 33 -2.644 -7.694 -2.477 216 2HG ARG 33 2HG ARG 33 -4.047 -7.911 -3.525 217 1HD ARG 33 1HD ARG 33 -5.414 -8.061 -1.376 218 2HD ARG 33 2HD ARG 33 -3.981 -7.436 -0.559 219 HE ARG 33 HE ARG 33 -4.813 -5.848 -2.804 220 1HH1 ARG 33 1HH1 ARG 33 -5.249 -6.446 0.598 221 2HH1 ARG 33 2HH1 ARG 33 -5.840 -4.853 0.935 222 1HH2 ARG 33 1HH2 ARG 33 -5.591 -3.747 -2.373 223 2HH2 ARG 33 2HH2 ARG 33 -6.036 -3.319 -0.755 224 H TRP 34 H TRP 34 -1.511 -9.827 -0.791 225 HA TRP 34 HA TRP 34 0.410 -7.867 -1.268 226 1HB TRP 34 1HB TRP 34 0.306 -9.926 0.948 227 2HB TRP 34 2HB TRP 34 1.329 -8.491 0.953 228 HD1 TRP 34 HD1 TRP 34 -1.674 -9.562 2.511 229 HE1 TRP 34 HE1 TRP 34 -3.258 -7.613 3.072 230 HE3 TRP 34 HE3 TRP 34 0.385 -5.958 -0.474 231 HZ2 TRP 34 HZ2 TRP 34 -3.592 -4.906 2.345 232 HZ3 TRP 34 HZ3 TRP 34 -0.627 -3.715 -0.484 233 HH2 TRP 34 HH2 TRP 34 -2.575 -3.202 0.897 234 H GLU 35 H GLU 35 0.597 -11.342 -1.537 235 HA GLU 35 HA GLU 35 3.421 -11.562 -1.588 236 1HB GLU 35 1HB GLU 35 1.125 -13.308 -2.294 237 2HB GLU 35 2HB GLU 35 2.680 -13.713 -3.007 238 1HG GLU 35 1HG GLU 35 3.678 -13.846 -0.793 239 2HG GLU 35 2HG GLU 35 2.137 -13.401 -0.063 240 H LYS 36 H LYS 36 1.013 -10.836 -4.014 241 HA LYS 36 HA LYS 36 2.877 -11.090 -6.212 242 1HB LYS 36 1HB LYS 36 0.056 -10.003 -6.120 243 2HB LYS 36 2HB LYS 36 0.992 -10.259 -7.586 244 1HG LYS 36 1HG LYS 36 0.678 -12.494 -7.563 245 2HG LYS 36 2HG LYS 36 0.701 -12.590 -5.800 246 1HD LYS 36 1HD LYS 36 -1.537 -12.166 -5.612 247 2HD LYS 36 2HD LYS 36 -1.589 -11.200 -7.088 248 1HE LYS 36 1HE LYS 36 -1.010 -14.115 -7.297 249 2HE LYS 36 2HE LYS 36 -2.667 -13.602 -6.983 250 1HZ LYS 36 1HZ LYS 36 -1.131 -12.389 -9.185 251 2HZ LYS 36 2HZ LYS 36 -2.807 -12.526 -9.004 252 3HZ LYS 36 3HZ LYS 36 -1.886 -13.888 -9.402 253 H ILE 37 H ILE 37 1.228 -8.467 -4.485 254 HA ILE 37 HA ILE 37 2.216 -6.338 -6.017 255 HB ILE 37 HB ILE 37 1.406 -6.410 -3.110 256 1HG1 ILE 37 1HG1 ILE 37 -0.096 -5.315 -5.491 257 2HG1 ILE 37 2HG1 ILE 37 -0.306 -6.959 -4.898 258 1HG2 ILE 37 1HG2 ILE 37 1.052 -3.834 -3.909 259 2HG2 ILE 37 2HG2 ILE 37 2.441 -4.424 -2.997 260 3HG2 ILE 37 3HG2 ILE 37 2.541 -4.264 -4.751 261 1HD1 ILE 37 1HD1 ILE 37 -1.900 -6.143 -3.593 262 2HD1 ILE 37 2HD1 ILE 37 -0.615 -5.395 -2.643 263 3HD1 ILE 37 3HD1 ILE 37 -1.416 -4.478 -3.919 264 H ALA 38 H ALA 38 3.558 -8.014 -3.216 265 HA ALA 38 HA ALA 38 5.717 -6.265 -2.744 266 1HB ALA 38 1HB ALA 38 6.430 -7.783 -1.187 267 2HB ALA 38 2HB ALA 38 4.739 -8.261 -1.338 268 3HB ALA 38 3HB ALA 38 5.992 -9.174 -2.178 269 H HIS 39 H HIS 39 5.494 -9.267 -4.637 270 HA HIS 39 HA HIS 39 8.179 -9.364 -5.446 271 1HB HIS 39 1HB HIS 39 6.633 -11.267 -5.664 272 2HB HIS 39 2HB HIS 39 5.734 -10.395 -6.901 273 HD1 HIS 39 HD1 HIS 39 8.138 -12.951 -6.636 274 HD2 HIS 39 HD2 HIS 39 7.707 -9.659 -9.134 275 HE1 HIS 39 HE1 HIS 39 9.542 -13.455 -8.660 276 H GLU 40 H GLU 40 5.482 -7.496 -6.594 277 HA GLU 40 HA GLU 40 6.752 -6.744 -9.072 278 1HB GLU 40 1HB GLU 40 4.256 -5.789 -7.672 279 2HB GLU 40 2HB GLU 40 4.820 -5.109 -9.191 280 1HG GLU 40 1HG GLU 40 4.224 -8.029 -8.808 281 2HG GLU 40 2HG GLU 40 3.037 -6.857 -9.380 282 H LEU 41 H LEU 41 5.917 -5.070 -6.042 283 HA LEU 41 HA LEU 41 7.232 -2.654 -6.736 284 1HB LEU 41 1HB LEU 41 6.411 -3.768 -4.060 285 2HB LEU 41 2HB LEU 41 7.020 -2.133 -4.311 286 HG LEU 41 HG LEU 41 4.431 -3.297 -5.326 287 1HD1 LEU 41 1HD1 LEU 41 3.616 -2.493 -3.429 288 2HD1 LEU 41 2HD1 LEU 41 4.076 -0.875 -3.957 289 3HD1 LEU 41 3HD1 LEU 41 5.189 -1.834 -2.981 290 1HD2 LEU 41 1HD2 LEU 41 5.846 -0.738 -6.007 291 2HD2 LEU 41 2HD2 LEU 41 4.093 -0.893 -6.130 292 3HD2 LEU 41 3HD2 LEU 41 5.141 -1.935 -7.093 293 H GLY 42 H GLY 42 8.333 -5.671 -5.509 294 1HA GLY 42 1HA GLY 42 10.577 -6.344 -5.419 295 2HA GLY 42 2HA GLY 42 11.063 -4.657 -5.482 296 H ARG 43 H ARG 43 8.614 -5.478 -3.218 297 HA ARG 43 HA ARG 43 10.603 -5.382 -1.045 298 1HB ARG 43 1HB ARG 43 7.824 -4.206 -1.158 299 2HB ARG 43 2HB ARG 43 8.765 -4.337 0.322 300 1HG ARG 43 1HG ARG 43 10.473 -2.888 -0.602 301 2HG ARG 43 2HG ARG 43 9.597 -2.802 -2.132 302 1HD ARG 43 1HD ARG 43 7.664 -1.835 -0.861 303 2HD ARG 43 2HD ARG 43 8.717 -1.750 0.550 304 HE ARG 43 HE ARG 43 8.664 0.056 -1.636 305 1HH1 ARG 43 1HH1 ARG 43 10.820 -1.481 0.625 306 2HH1 ARG 43 2HH1 ARG 43 11.996 -0.210 0.567 307 1HH2 ARG 43 1HH2 ARG 43 10.206 1.735 -1.721 308 2HH2 ARG 43 2HH2 ARG 43 11.646 1.619 -0.767 309 H SER 44 H SER 44 9.196 -6.046 1.106 310 HA SER 44 HA SER 44 8.489 -8.826 0.578 311 1HB SER 44 1HB SER 44 9.043 -7.338 3.153 312 2HB SER 44 2HB SER 44 8.598 -9.042 3.075 313 HG SER 44 HG SER 44 10.806 -7.981 1.659 314 H VAL 45 H VAL 45 6.621 -9.797 1.614 315 HA VAL 45 HA VAL 45 4.222 -8.608 1.016 316 HB VAL 45 HB VAL 45 4.888 -10.748 3.022 317 1HG1 VAL 45 1HG1 VAL 45 2.477 -11.207 3.205 318 2HG1 VAL 45 2HG1 VAL 45 2.907 -9.627 3.865 319 3HG1 VAL 45 3HG1 VAL 45 2.141 -9.744 2.280 320 1HG2 VAL 45 1HG2 VAL 45 4.866 -12.023 1.204 321 2HG2 VAL 45 2HG2 VAL 45 3.160 -11.633 0.982 322 3HG2 VAL 45 3HG2 VAL 45 4.398 -10.648 0.203 323 H THR 46 H THR 46 5.114 -9.188 4.408 324 HA THR 46 HA THR 46 3.347 -7.497 5.611 325 HB THR 46 HB THR 46 4.743 -8.958 6.935 326 HG1 THR 46 HG1 THR 46 5.594 -7.204 8.437 327 1HG2 THR 46 1HG2 THR 46 6.798 -8.484 5.436 328 2HG2 THR 46 2HG2 THR 46 7.058 -8.793 7.153 329 3HG2 THR 46 3HG2 THR 46 7.095 -7.141 6.538 330 H ASP 47 H ASP 47 6.468 -6.648 4.198 331 HA ASP 47 HA ASP 47 6.689 -4.028 5.102 332 1HB ASP 47 1HB ASP 47 7.742 -5.553 2.781 333 2HB ASP 47 2HB ASP 47 7.824 -3.797 2.681 334 H VAL 48 H VAL 48 5.097 -5.260 2.174 335 HA VAL 48 HA VAL 48 4.235 -2.715 1.257 336 HB VAL 48 HB VAL 48 2.673 -5.140 0.534 337 1HG1 VAL 48 1HG1 VAL 48 2.081 -3.802 -1.134 338 2HG1 VAL 48 2HG1 VAL 48 3.147 -2.543 -0.506 339 3HG1 VAL 48 3HG1 VAL 48 3.759 -3.718 -1.671 340 1HG2 VAL 48 1HG2 VAL 48 5.594 -4.944 0.333 341 2HG2 VAL 48 2HG2 VAL 48 4.544 -6.360 0.271 342 3HG2 VAL 48 3HG2 VAL 48 4.777 -5.370 -1.171 343 H THR 49 H THR 49 2.254 -5.409 2.507 344 HA THR 49 HA THR 49 -0.120 -4.097 2.844 345 HB THR 49 HB THR 49 -0.349 -6.327 3.317 346 HG1 THR 49 HG1 THR 49 0.046 -5.488 5.996 347 1HG2 THR 49 1HG2 THR 49 1.370 -7.103 5.353 348 2HG2 THR 49 2HG2 THR 49 2.355 -6.052 4.334 349 3HG2 THR 49 3HG2 THR 49 1.552 -7.458 3.635 350 H THR 50 H THR 50 2.463 -4.370 5.284 351 HA THR 50 HA THR 50 1.280 -2.916 7.320 352 HB THR 50 HB THR 50 4.212 -3.020 6.585 353 HG1 THR 50 HG1 THR 50 4.273 -4.778 7.913 354 1HG2 THR 50 1HG2 THR 50 4.374 -1.386 8.131 355 2HG2 THR 50 2HG2 THR 50 4.116 -2.695 9.284 356 3HG2 THR 50 3HG2 THR 50 2.760 -1.693 8.769 357 H LYS 51 H LYS 51 2.590 -1.813 4.321 358 HA LYS 51 HA LYS 51 2.747 0.957 5.195 359 1HB LYS 51 1HB LYS 51 4.480 0.330 3.703 360 2HB LYS 51 2HB LYS 51 3.352 -0.442 2.596 361 1HG LYS 51 1HG LYS 51 4.184 1.676 1.717 362 2HG LYS 51 2HG LYS 51 2.439 1.719 1.978 363 1HD LYS 51 1HD LYS 51 3.150 3.758 2.840 364 2HD LYS 51 2HD LYS 51 3.040 2.737 4.276 365 1HE LYS 51 1HE LYS 51 5.474 2.283 4.064 366 2HE LYS 51 2HE LYS 51 5.535 3.435 2.732 367 1HZ LYS 51 1HZ LYS 51 5.477 5.161 4.127 368 2HZ LYS 51 2HZ LYS 51 5.928 4.053 5.322 369 3HZ LYS 51 3HZ LYS 51 4.300 4.466 5.123 370 H ALA 52 H ALA 52 0.928 -0.946 2.799 371 HA ALA 52 HA ALA 52 -0.740 1.088 1.878 372 1HB ALA 52 1HB ALA 52 -2.298 -0.771 1.252 373 2HB ALA 52 2HB ALA 52 -0.639 -0.973 0.687 374 3HB ALA 52 3HB ALA 52 -1.210 -1.879 2.088 375 H LYS 53 H LYS 53 -1.084 -1.064 4.658 376 HA LYS 53 HA LYS 53 -3.698 -0.488 5.388 377 1HB LYS 53 1HB LYS 53 -2.993 -1.092 7.697 378 2HB LYS 53 2HB LYS 53 -2.472 -2.251 6.481 379 1HG LYS 53 1HG LYS 53 -0.544 -2.077 7.656 380 2HG LYS 53 2HG LYS 53 -0.290 -0.749 6.522 381 1HD LYS 53 1HD LYS 53 0.215 0.241 8.551 382 2HD LYS 53 2HD LYS 53 -1.481 0.682 8.338 383 1HE LYS 53 1HE LYS 53 -2.104 -1.275 9.736 384 2HE LYS 53 2HE LYS 53 -0.390 -1.567 10.026 385 1HZ LYS 53 1HZ LYS 53 -1.213 -0.345 11.856 386 2HZ LYS 53 2HZ LYS 53 -1.987 0.785 10.865 387 3HZ LYS 53 3HZ LYS 53 -0.298 0.744 10.939 388 H GLN 54 H GLN 54 -0.727 1.293 6.066 389 HA GLN 54 HA GLN 54 -1.847 3.163 7.858 390 1HB GLN 54 1HB GLN 54 0.534 3.489 6.023 391 2HB GLN 54 2HB GLN 54 0.157 4.507 7.407 392 1HG GLN 54 1HG GLN 54 0.265 2.311 8.758 393 2HG GLN 54 2HG GLN 54 1.122 1.680 7.353 394 1HE2 GLN 54 1HE2 GLN 54 3.198 1.612 7.816 395 2HE2 GLN 54 2HE2 GLN 54 4.116 2.870 8.564 396 H LEU 55 H LEU 55 -2.043 2.832 4.450 397 HA LEU 55 HA LEU 55 -2.686 5.598 3.932 398 1HB LEU 55 1HB LEU 55 -3.032 3.188 2.157 399 2HB LEU 55 2HB LEU 55 -3.097 4.876 1.656 400 HG LEU 55 HG LEU 55 -0.631 3.556 2.780 401 1HD1 LEU 55 1HD1 LEU 55 0.117 3.081 0.649 402 2HD1 LEU 55 2HD1 LEU 55 -1.018 4.195 -0.113 403 3HD1 LEU 55 3HD1 LEU 55 -1.592 2.662 0.542 404 1HD2 LEU 55 1HD2 LEU 55 0.465 5.513 1.680 405 2HD2 LEU 55 2HD2 LEU 55 -0.570 5.928 3.047 406 3HD2 LEU 55 3HD2 LEU 55 -1.142 6.184 1.398 407 H LYS 56 H LYS 56 -4.403 2.601 4.500 408 HA LYS 56 HA LYS 56 -6.970 3.636 3.738 409 1HB LYS 56 1HB LYS 56 -7.850 1.544 4.416 410 2HB LYS 56 2HB LYS 56 -6.281 1.194 3.704 411 1HG LYS 56 1HG LYS 56 -5.360 0.567 5.689 412 2HG LYS 56 2HG LYS 56 -6.405 1.628 6.636 413 1HD LYS 56 1HD LYS 56 -6.932 -0.747 6.990 414 2HD LYS 56 2HD LYS 56 -8.287 0.134 6.280 415 1HE LYS 56 1HE LYS 56 -8.208 -1.836 5.041 416 2HE LYS 56 2HE LYS 56 -7.356 -0.675 4.023 417 1HZ LYS 56 1HZ LYS 56 -5.778 -2.238 3.971 418 2HZ LYS 56 2HZ LYS 56 -6.367 -3.045 5.335 419 3HZ LYS 56 3HZ LYS 56 -5.366 -1.694 5.519 420 H ASP 57 H ASP 57 -5.036 3.647 6.594 421 HA ASP 57 HA ASP 57 -7.197 4.125 8.426 422 1HB ASP 57 1HB ASP 57 -4.798 3.155 8.875 423 2HB ASP 57 2HB ASP 57 -4.356 4.853 9.035 424 H SER 58 H SER 58 -4.597 6.136 7.055 425 HA SER 58 HA SER 58 -5.885 8.542 8.060 426 1HB SER 58 1HB SER 58 -3.340 8.095 8.030 427 2HB SER 58 2HB SER 58 -3.434 8.481 6.311 428 HG SER 58 HG SER 58 -2.969 10.268 7.832 429 H VAL 59 H VAL 59 -7.781 8.622 6.834 430 HA VAL 59 HA VAL 59 -7.382 9.586 4.100 431 HB VAL 59 HB VAL 59 -9.316 8.279 3.287 432 1HG1 VAL 59 1HG1 VAL 59 -7.975 6.605 2.617 433 2HG1 VAL 59 2HG1 VAL 59 -6.730 7.483 3.508 434 3HG1 VAL 59 3HG1 VAL 59 -7.572 6.132 4.268 435 1HG2 VAL 59 1HG2 VAL 59 -9.671 7.740 6.034 436 2HG2 VAL 59 2HG2 VAL 59 -10.665 7.199 4.682 437 3HG2 VAL 59 3HG2 VAL 59 -9.324 6.201 5.244 438 H THR 60 H THR 60 -9.606 10.390 3.228 439 HA THR 60 HA THR 60 -10.840 11.979 5.378 440 HB THR 60 HB THR 60 -9.732 13.357 3.706 441 HG1 THR 60 HG1 THR 60 -12.460 13.647 3.077 442 1HG2 THR 60 1HG2 THR 60 -10.532 13.386 1.373 443 2HG2 THR 60 2HG2 THR 60 -11.559 11.995 1.723 444 3HG2 THR 60 3HG2 THR 60 -9.804 11.840 1.808 445 H CYS 61 H CYS 61 -11.534 10.088 2.472 446 HA CYS 61 HA CYS 61 -14.344 10.393 2.556 447 1HB CYS 61 1HB CYS 61 -13.145 9.657 0.539 448 2HB CYS 61 2HB CYS 61 -12.695 8.162 1.349 449 HG CYS 61 HG CYS 61 -14.891 8.055 -0.637 450 H SER 62 H SER 62 -15.309 9.938 4.467 451 HA SER 62 HA SER 62 -15.653 7.190 5.179 452 1HB SER 62 1HB SER 62 -14.792 7.369 7.489 453 2HB SER 62 2HB SER 62 -13.510 7.578 6.297 454 HG SER 62 HG SER 62 -13.472 9.734 6.705 455 HA PRO 63 HA PRO 63 -19.474 8.762 6.661 456 1HB PRO 63 1HB PRO 63 -20.120 6.890 8.517 457 2HB PRO 63 2HB PRO 63 -20.185 6.580 6.778 458 1HG PRO 63 1HG PRO 63 -18.054 5.855 8.752 459 2HG PRO 63 2HG PRO 63 -18.740 4.882 7.438 460 1HD PRO 63 1HD PRO 63 -16.360 6.157 7.220 461 2HD PRO 63 2HD PRO 63 -17.441 5.907 5.833 462 H GLY 64 H GLY 64 -16.701 8.839 8.488 463 1HA GLY 64 1HA GLY 64 -16.359 10.597 10.079 464 2HA GLY 64 2HA GLY 64 -18.046 10.449 10.550 465 H MET 65 H MET 65 -17.831 10.067 12.698 466 HA MET 65 HA MET 65 -16.596 7.514 13.435 467 1HB MET 65 1HB MET 65 -15.471 8.434 15.329 468 2HB MET 65 2HB MET 65 -15.022 9.409 13.936 469 1HG MET 65 1HG MET 65 -16.413 11.189 14.609 470 2HG MET 65 2HG MET 65 -17.230 10.192 15.810 471 1HE MET 65 1HE MET 65 -14.031 13.059 16.607 472 2HE MET 65 2HE MET 65 -14.871 12.771 15.083 473 3HE MET 65 3HE MET 65 -15.786 13.213 16.525 474 H VAL 66 H VAL 66 -17.567 6.449 15.157 475 HA VAL 66 HA VAL 66 -20.257 7.386 15.795 476 HB VAL 66 HB VAL 66 -18.934 4.722 16.327 477 1HG1 VAL 66 1HG1 VAL 66 -21.337 4.015 16.751 478 2HG1 VAL 66 2HG1 VAL 66 -20.566 4.989 18.005 479 3HG1 VAL 66 3HG1 VAL 66 -21.709 5.734 16.886 480 1HG2 VAL 66 1HG2 VAL 66 -20.662 5.778 14.140 481 2HG2 VAL 66 2HG2 VAL 66 -19.265 4.706 14.053 482 3HG2 VAL 66 3HG2 VAL 66 -20.818 4.086 14.612 483 H SER 67 H SER 67 -20.273 8.773 17.463 484 HA SER 67 HA SER 67 -18.883 7.951 19.929 485 1HB SER 67 1HB SER 67 -17.752 9.897 19.075 486 2HB SER 67 2HB SER 67 -19.281 10.737 18.820 487 HG SER 67 HG SER 67 -19.407 11.177 20.899 488 H GLY 68 H GLY 68 -19.919 8.473 21.918 489 1HA GLY 68 1HA GLY 68 -22.030 9.738 22.729 490 2HA GLY 68 2HA GLY 68 -22.842 8.626 21.636 491 HA PRO 69 HA PRO 69 -21.005 6.119 25.385 492 1HB PRO 69 1HB PRO 69 -20.626 7.600 27.629 493 2HB PRO 69 2HB PRO 69 -19.354 7.328 26.431 494 1HG PRO 69 1HG PRO 69 -21.140 9.704 26.791 495 2HG PRO 69 2HG PRO 69 -19.400 9.653 26.452 496 1HD PRO 69 1HD PRO 69 -21.246 10.120 24.527 497 2HD PRO 69 2HD PRO 69 -19.722 9.270 24.202 498 H SER 70 H SER 70 -23.058 5.246 25.435 499 HA SER 70 HA SER 70 -25.114 4.739 26.267 500 1HB SER 70 1HB SER 70 -23.652 5.170 28.438 501 2HB SER 70 2HB SER 70 -24.734 6.552 28.612 502 HG SER 70 HG SER 70 -26.478 5.148 28.640 503 H SER 71 H SER 71 -24.966 6.844 24.424 504 HA SER 71 HA SER 71 -27.300 8.423 25.253 505 1HB SER 71 1HB SER 71 -24.896 9.514 23.769 506 2HB SER 71 2HB SER 71 -26.374 10.408 24.125 507 HG SER 71 HG SER 71 -25.403 10.905 25.916 508 H GLY 72 H GLY 72 -25.252 7.472 22.500 509 1HA GLY 72 1HA GLY 72 -26.736 6.108 20.871 510 2HA GLY 72 2HA GLY 72 -27.616 7.625 20.757 Start of MODEL 14 1 1H GLY 1 1H GLY 1 22.005 -16.346 -4.573 2 1HA GLY 1 1HA GLY 1 24.042 -17.352 -2.688 3 2HA GLY 1 2HA GLY 1 23.566 -15.661 -2.694 4 H SER 2 H SER 2 22.891 -18.772 -1.506 5 HA SER 2 HA SER 2 20.186 -18.682 -0.914 6 1HB SER 2 1HB SER 2 20.611 -20.347 0.749 7 2HB SER 2 2HB SER 2 21.776 -20.620 -0.546 8 HG SER 2 HG SER 2 22.220 -20.043 2.049 9 H SER 3 H SER 3 22.914 -17.372 0.930 10 HA SER 3 HA SER 3 21.436 -16.474 3.147 11 1HB SER 3 1HB SER 3 23.913 -16.690 3.105 12 2HB SER 3 2HB SER 3 23.991 -15.292 2.033 13 HG SER 3 HG SER 3 23.260 -14.001 3.657 14 H GLY 4 H GLY 4 20.945 -14.249 3.743 15 1HA GLY 4 1HA GLY 4 20.642 -12.349 1.553 16 2HA GLY 4 2HA GLY 4 19.155 -12.927 2.290 17 H SER 5 H SER 5 19.982 -10.224 2.243 18 HA SER 5 HA SER 5 20.650 -9.738 5.070 19 1HB SER 5 1HB SER 5 22.268 -8.724 3.579 20 2HB SER 5 2HB SER 5 20.984 -7.949 2.651 21 HG SER 5 HG SER 5 21.601 -7.450 5.378 22 H SER 6 H SER 6 19.092 -9.007 6.345 23 HA SER 6 HA SER 6 16.548 -8.216 5.196 24 1HB SER 6 1HB SER 6 15.744 -8.252 7.533 25 2HB SER 6 2HB SER 6 16.551 -9.758 7.097 26 HG SER 6 HG SER 6 17.276 -7.824 8.927 27 H GLY 7 H GLY 7 16.745 -6.182 4.356 28 1HA GLY 7 1HA GLY 7 16.681 -4.001 6.207 29 2HA GLY 7 2HA GLY 7 18.185 -4.039 5.299 30 H ALA 8 H ALA 8 14.766 -4.618 4.470 31 HA ALA 8 HA ALA 8 14.835 -3.712 1.876 32 1HB ALA 8 1HB ALA 8 12.555 -3.425 3.829 33 2HB ALA 8 2HB ALA 8 12.426 -3.330 2.072 34 3HB ALA 8 3HB ALA 8 12.906 -4.843 2.841 35 HA PRO 9 HA PRO 9 15.546 0.629 2.060 36 1HB PRO 9 1HB PRO 9 14.457 1.346 -0.321 37 2HB PRO 9 2HB PRO 9 16.002 0.497 -0.188 38 1HG PRO 9 1HG PRO 9 13.286 -0.599 -0.808 39 2HG PRO 9 2HG PRO 9 14.845 -0.980 -1.562 40 1HD PRO 9 1HD PRO 9 13.698 -2.577 0.300 41 2HD PRO 9 2HD PRO 9 15.458 -2.414 0.136 42 H GLU 10 H GLU 10 14.462 2.653 2.244 43 HA GLU 10 HA GLU 10 11.975 2.537 3.556 44 1HB GLU 10 1HB GLU 10 12.059 4.967 3.576 45 2HB GLU 10 2HB GLU 10 13.643 4.305 3.956 46 1HG GLU 10 1HG GLU 10 14.200 4.636 1.501 47 2HG GLU 10 2HG GLU 10 12.731 5.606 1.413 48 H TRP 11 H TRP 11 10.272 4.357 2.754 49 HA TRP 11 HA TRP 11 9.394 3.393 0.125 50 1HB TRP 11 1HB TRP 11 7.932 4.520 2.500 51 2HB TRP 11 2HB TRP 11 7.177 4.474 0.909 52 HD1 TRP 11 HD1 TRP 11 8.186 2.238 3.809 53 HE1 TRP 11 HE1 TRP 11 7.211 -0.114 3.433 54 HE3 TRP 11 HE3 TRP 11 6.502 2.813 -0.984 55 HZ2 TRP 11 HZ2 TRP 11 5.902 -1.538 1.377 56 HZ3 TRP 11 HZ3 TRP 11 5.400 0.907 -2.083 57 HH2 TRP 11 HH2 TRP 11 5.108 -1.222 -0.926 58 H THR 12 H THR 12 9.611 4.685 -1.567 59 HA THR 12 HA THR 12 9.660 7.599 -1.118 60 HB THR 12 HB THR 12 11.165 7.822 -3.028 61 HG1 THR 12 HG1 THR 12 11.347 4.984 -3.064 62 1HG2 THR 12 1HG2 THR 12 12.753 5.818 -1.684 63 2HG2 THR 12 2HG2 THR 12 11.829 6.775 -0.525 64 3HG2 THR 12 3HG2 THR 12 12.913 7.573 -1.664 65 H GLU 13 H GLU 13 8.814 8.924 -2.824 66 HA GLU 13 HA GLU 13 6.336 8.492 -3.689 67 1HB GLU 13 1HB GLU 13 8.597 9.992 -4.905 68 2HB GLU 13 2HB GLU 13 7.160 9.767 -5.893 69 1HG GLU 13 1HG GLU 13 5.831 11.024 -4.488 70 2HG GLU 13 2HG GLU 13 6.903 10.801 -3.106 71 H GLU 14 H GLU 14 9.212 7.160 -5.216 72 HA GLU 14 HA GLU 14 7.963 6.116 -7.519 73 1HB GLU 14 1HB GLU 14 10.422 6.394 -7.228 74 2HB GLU 14 2HB GLU 14 10.407 5.046 -6.100 75 1HG GLU 14 1HG GLU 14 9.617 3.565 -7.868 76 2HG GLU 14 2HG GLU 14 9.618 4.915 -9.001 77 H ASP 15 H ASP 15 8.760 4.609 -4.398 78 HA ASP 15 HA ASP 15 7.527 2.119 -5.073 79 1HB ASP 15 1HB ASP 15 8.816 3.296 -2.668 80 2HB ASP 15 2HB ASP 15 7.688 1.969 -2.401 81 H LEU 16 H LEU 16 6.499 5.064 -3.502 82 HA LEU 16 HA LEU 16 4.067 3.966 -2.449 83 1HB LEU 16 1HB LEU 16 5.232 6.703 -2.704 84 2HB LEU 16 2HB LEU 16 3.524 6.519 -2.311 85 HG LEU 16 HG LEU 16 5.730 5.267 -0.686 86 1HD1 LEU 16 1HD1 LEU 16 6.257 7.412 -0.208 87 2HD1 LEU 16 2HD1 LEU 16 4.870 7.266 0.870 88 3HD1 LEU 16 3HD1 LEU 16 4.683 8.029 -0.709 89 1HD2 LEU 16 1HD2 LEU 16 3.688 5.613 0.995 90 2HD2 LEU 16 2HD2 LEU 16 3.873 4.165 0.005 91 3HD2 LEU 16 3HD2 LEU 16 2.781 5.453 -0.509 92 H SER 17 H SER 17 5.073 5.410 -5.438 93 HA SER 17 HA SER 17 2.369 5.906 -6.350 94 1HB SER 17 1HB SER 17 5.101 6.263 -7.551 95 2HB SER 17 2HB SER 17 3.661 6.357 -8.564 96 HG SER 17 HG SER 17 4.131 8.409 -7.833 97 H GLN 18 H GLN 18 4.862 3.479 -6.727 98 HA GLN 18 HA GLN 18 3.681 2.118 -8.923 99 1HB GLN 18 1HB GLN 18 5.781 1.432 -6.898 100 2HB GLN 18 2HB GLN 18 5.150 0.181 -7.960 101 1HG GLN 18 1HG GLN 18 6.077 2.726 -9.178 102 2HG GLN 18 2HG GLN 18 7.284 1.585 -8.586 103 1HE2 GLN 18 1HE2 GLN 18 4.448 1.843 -10.672 104 2HE2 GLN 18 2HE2 GLN 18 4.946 0.633 -11.800 105 H LEU 19 H LEU 19 3.393 1.834 -5.428 106 HA LEU 19 HA LEU 19 2.088 -0.594 -5.210 107 1HB LEU 19 1HB LEU 19 2.838 0.673 -3.285 108 2HB LEU 19 2HB LEU 19 1.652 1.932 -3.623 109 HG LEU 19 HG LEU 19 -0.156 0.348 -3.117 110 1HD1 LEU 19 1HD1 LEU 19 1.381 -1.648 -1.758 111 2HD1 LEU 19 2HD1 LEU 19 1.863 -1.575 -3.452 112 3HD1 LEU 19 3HD1 LEU 19 0.172 -1.841 -3.027 113 1HD2 LEU 19 1HD2 LEU 19 1.956 1.009 -1.125 114 2HD2 LEU 19 2HD2 LEU 19 0.616 -0.025 -0.630 115 3HD2 LEU 19 3HD2 LEU 19 0.297 1.595 -1.251 116 H THR 20 H THR 20 0.619 2.624 -5.625 117 HA THR 20 HA THR 20 -2.041 1.928 -5.665 118 HB THR 20 HB THR 20 -0.758 3.991 -7.466 119 HG1 THR 20 HG1 THR 20 -0.321 4.942 -5.631 120 1HG2 THR 20 1HG2 THR 20 -3.413 4.496 -6.334 121 2HG2 THR 20 2HG2 THR 20 -3.359 3.140 -7.461 122 3HG2 THR 20 3HG2 THR 20 -2.816 4.737 -7.976 123 H ARG 21 H ARG 21 0.371 1.447 -8.144 124 HA ARG 21 HA ARG 21 -1.508 0.799 -10.215 125 1HB ARG 21 1HB ARG 21 1.438 0.138 -10.110 126 2HB ARG 21 2HB ARG 21 0.417 0.217 -11.541 127 1HG ARG 21 1HG ARG 21 0.652 2.655 -9.866 128 2HG ARG 21 2HG ARG 21 2.033 2.189 -10.861 129 1HD ARG 21 1HD ARG 21 0.744 3.656 -12.187 130 2HD ARG 21 2HD ARG 21 0.416 2.036 -12.799 131 HE ARG 21 HE ARG 21 -1.529 2.597 -10.902 132 1HH1 ARG 21 1HH1 ARG 21 -0.486 3.832 -13.985 133 2HH1 ARG 21 2HH1 ARG 21 -2.062 4.391 -14.441 134 1HH2 ARG 21 1HH2 ARG 21 -3.607 3.329 -11.490 135 2HH2 ARG 21 2HH2 ARG 21 -3.836 4.105 -13.020 136 H SER 22 H SER 22 0.680 -1.069 -8.129 137 HA SER 22 HA SER 22 0.014 -3.605 -9.144 138 1HB SER 22 1HB SER 22 0.896 -4.426 -6.908 139 2HB SER 22 2HB SER 22 1.998 -3.408 -7.834 140 HG SER 22 HG SER 22 0.362 -2.601 -5.659 141 H MET 23 H MET 23 -1.242 -1.816 -6.341 142 HA MET 23 HA MET 23 -2.951 -3.629 -5.241 143 1HB MET 23 1HB MET 23 -3.423 -0.679 -5.695 144 2HB MET 23 2HB MET 23 -4.412 -1.681 -4.642 145 1HG MET 23 1HG MET 23 -2.440 -2.173 -3.274 146 2HG MET 23 2HG MET 23 -1.471 -1.137 -4.319 147 1HE MET 23 1HE MET 23 -3.369 -1.740 -1.511 148 2HE MET 23 2HE MET 23 -2.812 -0.347 -0.584 149 3HE MET 23 3HE MET 23 -4.468 -0.398 -1.189 150 H VAL 24 H VAL 24 -3.416 -1.804 -8.209 151 HA VAL 24 HA VAL 24 -6.139 -2.505 -8.603 152 HB VAL 24 HB VAL 24 -4.056 -1.664 -10.625 153 1HG1 VAL 24 1HG1 VAL 24 -7.035 -1.477 -10.956 154 2HG1 VAL 24 2HG1 VAL 24 -5.775 -1.316 -12.182 155 3HG1 VAL 24 3HG1 VAL 24 -6.125 -2.895 -11.478 156 1HG2 VAL 24 1HG2 VAL 24 -4.676 0.530 -10.269 157 2HG2 VAL 24 2HG2 VAL 24 -6.238 0.089 -9.579 158 3HG2 VAL 24 3HG2 VAL 24 -4.764 -0.131 -8.636 159 H LYS 25 H LYS 25 -3.082 -3.893 -9.726 160 HA LYS 25 HA LYS 25 -4.247 -5.871 -11.389 161 1HB LYS 25 1HB LYS 25 -1.790 -4.980 -11.259 162 2HB LYS 25 2HB LYS 25 -1.588 -6.249 -10.058 163 1HG LYS 25 1HG LYS 25 -2.174 -7.937 -11.654 164 2HG LYS 25 2HG LYS 25 -2.595 -6.715 -12.856 165 1HD LYS 25 1HD LYS 25 -0.298 -5.988 -12.986 166 2HD LYS 25 2HD LYS 25 0.158 -7.080 -11.676 167 1HE LYS 25 1HE LYS 25 -0.899 -8.879 -13.307 168 2HE LYS 25 2HE LYS 25 -0.478 -7.671 -14.520 169 1HZ LYS 25 1HZ LYS 25 1.798 -7.714 -13.303 170 2HZ LYS 25 2HZ LYS 25 1.423 -8.921 -14.426 171 3HZ LYS 25 3HZ LYS 25 1.287 -9.236 -12.769 172 H PHE 26 H PHE 26 -3.669 -5.659 -7.981 173 HA PHE 26 HA PHE 26 -4.827 -8.338 -7.657 174 1HB PHE 26 1HB PHE 26 -2.673 -7.378 -5.796 175 2HB PHE 26 2HB PHE 26 -3.243 -9.020 -6.074 176 HD1 PHE 26 HD1 PHE 26 -0.705 -6.692 -6.769 177 HD2 PHE 26 HD2 PHE 26 -2.837 -9.954 -8.481 178 HE1 PHE 26 HE1 PHE 26 1.135 -7.055 -8.361 179 HE2 PHE 26 HE2 PHE 26 -1.000 -10.322 -10.076 180 HZ PHE 26 HZ PHE 26 0.990 -8.872 -10.017 181 HA PRO 27 HA PRO 27 -7.210 -5.256 -5.212 182 1HB PRO 27 1HB PRO 27 -9.611 -6.433 -5.677 183 2HB PRO 27 2HB PRO 27 -8.874 -5.281 -6.796 184 1HG PRO 27 1HG PRO 27 -8.905 -8.272 -6.906 185 2HG PRO 27 2HG PRO 27 -9.152 -7.102 -8.215 186 1HD PRO 27 1HD PRO 27 -6.797 -8.381 -7.831 187 2HD PRO 27 2HD PRO 27 -6.893 -6.732 -8.482 188 H GLY 28 H GLY 28 -9.162 -5.923 -3.627 189 1HA GLY 28 1HA GLY 28 -7.960 -7.605 -1.660 190 2HA GLY 28 2HA GLY 28 -9.544 -6.851 -1.554 191 H GLY 29 H GLY 29 -8.710 -9.554 -0.787 192 1HA GLY 29 1HA GLY 29 -9.933 -11.537 -0.732 193 2HA GLY 29 2HA GLY 29 -10.872 -10.967 -2.103 194 H THR 30 H THR 30 -8.182 -10.353 -3.442 195 HA THR 30 HA THR 30 -8.045 -12.715 -4.982 196 HB THR 30 HB THR 30 -6.517 -10.173 -4.873 197 HG1 THR 30 HG1 THR 30 -6.953 -10.417 -7.190 198 1HG2 THR 30 1HG2 THR 30 -4.694 -11.781 -4.883 199 2HG2 THR 30 2HG2 THR 30 -4.838 -11.025 -6.470 200 3HG2 THR 30 3HG2 THR 30 -5.447 -12.659 -6.213 201 HA PRO 31 HA PRO 31 -5.395 -15.228 -2.501 202 1HB PRO 31 1HB PRO 31 -4.608 -16.971 -4.428 203 2HB PRO 31 2HB PRO 31 -6.220 -17.004 -3.703 204 1HG PRO 31 1HG PRO 31 -5.337 -15.820 -6.307 205 2HG PRO 31 2HG PRO 31 -6.788 -16.773 -5.946 206 1HD PRO 31 1HD PRO 31 -6.835 -14.075 -6.161 207 2HD PRO 31 2HD PRO 31 -7.911 -14.964 -5.065 208 H GLY 32 H GLY 32 -3.514 -14.375 -1.835 209 1HA GLY 32 1HA GLY 32 -1.195 -14.132 -1.889 210 2HA GLY 32 2HA GLY 32 -1.221 -14.504 -3.607 211 H ARG 33 H ARG 33 -3.361 -12.077 -2.375 212 HA ARG 33 HA ARG 33 -2.722 -10.095 -4.127 213 1HB ARG 33 1HB ARG 33 -4.637 -9.989 -2.597 214 2HB ARG 33 2HB ARG 33 -3.548 -9.721 -1.243 215 1HG ARG 33 1HG ARG 33 -2.779 -7.633 -2.429 216 2HG ARG 33 2HG ARG 33 -4.128 -7.876 -3.541 217 1HD ARG 33 1HD ARG 33 -5.601 -7.969 -1.459 218 2HD ARG 33 2HD ARG 33 -4.210 -7.323 -0.589 219 HE ARG 33 HE ARG 33 -4.571 -5.640 -2.725 220 1HH1 ARG 33 1HH1 ARG 33 -6.501 -6.723 -0.038 221 2HH1 ARG 33 2HH1 ARG 33 -7.422 -5.259 0.059 222 1HH2 ARG 33 1HH2 ARG 33 -5.776 -3.707 -2.607 223 2HH2 ARG 33 2HH2 ARG 33 -7.010 -3.545 -1.403 224 H TRP 34 H TRP 34 -1.669 -9.812 -0.740 225 HA TRP 34 HA TRP 34 0.307 -7.915 -1.205 226 1HB TRP 34 1HB TRP 34 0.151 -9.994 0.989 227 2HB TRP 34 2HB TRP 34 1.225 -8.598 1.004 228 HD1 TRP 34 HD1 TRP 34 -1.836 -9.586 2.531 229 HE1 TRP 34 HE1 TRP 34 -3.334 -7.583 3.136 230 HE3 TRP 34 HE3 TRP 34 0.407 -6.000 -0.340 231 HZ2 TRP 34 HZ2 TRP 34 -3.538 -4.844 2.482 232 HZ3 TRP 34 HZ3 TRP 34 -0.501 -3.714 -0.293 233 HH2 TRP 34 HH2 TRP 34 -2.433 -3.150 1.089 234 H GLU 35 H GLU 35 0.413 -11.400 -1.474 235 HA GLU 35 HA GLU 35 3.228 -11.685 -1.559 236 1HB GLU 35 1HB GLU 35 0.884 -13.372 -2.255 237 2HB GLU 35 2HB GLU 35 2.425 -13.810 -2.981 238 1HG GLU 35 1HG GLU 35 3.407 -13.827 -0.684 239 2HG GLU 35 2HG GLU 35 1.776 -13.613 -0.053 240 H LYS 36 H LYS 36 0.820 -10.886 -3.961 241 HA LYS 36 HA LYS 36 2.659 -11.175 -6.175 242 1HB LYS 36 1HB LYS 36 -0.127 -10.004 -6.070 243 2HB LYS 36 2HB LYS 36 0.791 -10.315 -7.538 244 1HG LYS 36 1HG LYS 36 0.395 -12.536 -7.480 245 2HG LYS 36 2HG LYS 36 0.428 -12.608 -5.717 246 1HD LYS 36 1HD LYS 36 -1.792 -12.086 -5.518 247 2HD LYS 36 2HD LYS 36 -1.821 -11.162 -7.022 248 1HE LYS 36 1HE LYS 36 -1.440 -14.139 -7.013 249 2HE LYS 36 2HE LYS 36 -3.048 -13.418 -6.958 250 1HZ LYS 36 1HZ LYS 36 -2.923 -13.331 -9.159 251 2HZ LYS 36 2HZ LYS 36 -1.275 -13.711 -9.173 252 3HZ LYS 36 3HZ LYS 36 -1.771 -12.104 -8.988 253 H ILE 37 H ILE 37 1.069 -8.516 -4.445 254 HA ILE 37 HA ILE 37 2.094 -6.405 -5.966 255 HB ILE 37 HB ILE 37 1.311 -6.490 -3.053 256 1HG1 ILE 37 1HG1 ILE 37 -0.152 -5.326 -5.429 257 2HG1 ILE 37 2HG1 ILE 37 -0.443 -6.946 -4.803 258 1HG2 ILE 37 1HG2 ILE 37 2.358 -4.525 -2.872 259 2HG2 ILE 37 2HG2 ILE 37 2.575 -4.384 -4.616 260 3HG2 ILE 37 3HG2 ILE 37 1.057 -3.880 -3.873 261 1HD1 ILE 37 1HD1 ILE 37 -1.518 -4.454 -3.931 262 2HD1 ILE 37 2HD1 ILE 37 -1.920 -6.089 -3.405 263 3HD1 ILE 37 3HD1 ILE 37 -0.619 -5.202 -2.611 264 H ALA 38 H ALA 38 3.421 -8.076 -3.145 265 HA ALA 38 HA ALA 38 5.632 -6.396 -2.719 266 1HB ALA 38 1HB ALA 38 6.601 -8.333 -1.511 267 2HB ALA 38 2HB ALA 38 4.944 -7.964 -1.031 268 3HB ALA 38 3HB ALA 38 5.269 -9.325 -2.104 269 H HIS 39 H HIS 39 5.338 -9.408 -4.591 270 HA HIS 39 HA HIS 39 8.000 -9.557 -5.443 271 1HB HIS 39 1HB HIS 39 6.714 -11.498 -5.759 272 2HB HIS 39 2HB HIS 39 5.420 -10.618 -6.568 273 HD1 HIS 39 HD1 HIS 39 8.249 -12.726 -7.258 274 HD2 HIS 39 HD2 HIS 39 6.323 -9.615 -9.226 275 HE1 HIS 39 HE1 HIS 39 8.963 -12.907 -9.662 276 H GLU 40 H GLU 40 5.390 -7.543 -6.477 277 HA GLU 40 HA GLU 40 6.621 -6.838 -8.997 278 1HB GLU 40 1HB GLU 40 4.161 -5.902 -7.539 279 2HB GLU 40 2HB GLU 40 4.742 -5.082 -8.981 280 1HG GLU 40 1HG GLU 40 4.125 -8.020 -8.906 281 2HG GLU 40 2HG GLU 40 2.934 -6.792 -9.332 282 H LEU 41 H LEU 41 5.958 -5.209 -5.906 283 HA LEU 41 HA LEU 41 7.364 -2.832 -6.627 284 1HB LEU 41 1HB LEU 41 6.471 -3.879 -3.946 285 2HB LEU 41 2HB LEU 41 7.146 -2.274 -4.218 286 HG LEU 41 HG LEU 41 4.522 -3.346 -5.246 287 1HD1 LEU 41 1HD1 LEU 41 5.274 -2.001 -2.866 288 2HD1 LEU 41 2HD1 LEU 41 3.660 -2.453 -3.413 289 3HD1 LEU 41 3HD1 LEU 41 4.331 -0.883 -3.852 290 1HD2 LEU 41 1HD2 LEU 41 4.241 -1.009 -6.125 291 2HD2 LEU 41 2HD2 LEU 41 5.412 -2.002 -6.993 292 3HD2 LEU 41 3HD2 LEU 41 5.967 -0.775 -5.853 293 H GLY 42 H GLY 42 8.348 -5.908 -5.591 294 1HA GLY 42 1HA GLY 42 10.510 -6.712 -5.359 295 2HA GLY 42 2HA GLY 42 11.104 -5.065 -5.506 296 H ARG 43 H ARG 43 8.636 -5.594 -3.183 297 HA ARG 43 HA ARG 43 10.650 -5.435 -1.040 298 1HB ARG 43 1HB ARG 43 7.788 -4.459 -0.991 299 2HB ARG 43 2HB ARG 43 8.969 -4.278 0.299 300 1HG ARG 43 1HG ARG 43 10.121 -2.627 -0.797 301 2HG ARG 43 2HG ARG 43 9.597 -3.172 -2.391 302 1HD ARG 43 1HD ARG 43 7.607 -2.060 -2.269 303 2HD ARG 43 2HD ARG 43 7.523 -2.183 -0.512 304 HE ARG 43 HE ARG 43 8.607 -0.031 -2.015 305 1HH1 ARG 43 1HH1 ARG 43 9.023 -1.842 0.929 306 2HH1 ARG 43 2HH1 ARG 43 9.775 -0.535 1.781 307 1HH2 ARG 43 1HH2 ARG 43 9.596 1.698 -0.904 308 2HH2 ARG 43 2HH2 ARG 43 10.100 1.479 0.738 309 H SER 44 H SER 44 9.287 -6.049 1.156 310 HA SER 44 HA SER 44 8.642 -8.868 0.746 311 1HB SER 44 1HB SER 44 9.141 -7.331 3.307 312 2HB SER 44 2HB SER 44 8.920 -9.076 3.182 313 HG SER 44 HG SER 44 11.059 -7.491 2.243 314 H VAL 45 H VAL 45 6.708 -9.788 1.256 315 HA VAL 45 HA VAL 45 4.337 -8.638 0.901 316 HB VAL 45 HB VAL 45 5.033 -10.802 2.868 317 1HG1 VAL 45 1HG1 VAL 45 2.403 -9.477 2.408 318 2HG1 VAL 45 2HG1 VAL 45 2.449 -11.215 2.708 319 3HG1 VAL 45 3HG1 VAL 45 3.108 -10.095 3.901 320 1HG2 VAL 45 1HG2 VAL 45 3.923 -10.665 0.095 321 2HG2 VAL 45 2HG2 VAL 45 5.261 -11.630 0.717 322 3HG2 VAL 45 3HG2 VAL 45 3.600 -12.069 1.112 323 H THR 46 H THR 46 5.243 -9.252 4.284 324 HA THR 46 HA THR 46 3.463 -7.591 5.510 325 HB THR 46 HB THR 46 4.894 -9.074 6.793 326 HG1 THR 46 HG1 THR 46 4.168 -7.515 8.123 327 1HG2 THR 46 1HG2 THR 46 7.135 -7.153 6.150 328 2HG2 THR 46 2HG2 THR 46 6.959 -8.779 5.491 329 3HG2 THR 46 3HG2 THR 46 7.239 -8.552 7.217 330 H ASP 47 H ASP 47 6.601 -6.702 4.149 331 HA ASP 47 HA ASP 47 6.808 -4.099 5.075 332 1HB ASP 47 1HB ASP 47 8.473 -5.486 3.676 333 2HB ASP 47 2HB ASP 47 7.606 -4.862 2.276 334 H VAL 48 H VAL 48 5.172 -5.289 2.157 335 HA VAL 48 HA VAL 48 4.304 -2.733 1.280 336 HB VAL 48 HB VAL 48 2.718 -5.141 0.556 337 1HG1 VAL 48 1HG1 VAL 48 2.098 -3.743 -1.052 338 2HG1 VAL 48 2HG1 VAL 48 3.257 -2.538 -0.487 339 3HG1 VAL 48 3HG1 VAL 48 3.749 -3.749 -1.671 340 1HG2 VAL 48 1HG2 VAL 48 4.648 -6.331 0.375 341 2HG2 VAL 48 2HG2 VAL 48 4.712 -5.490 -1.174 342 3HG2 VAL 48 3HG2 VAL 48 5.651 -4.891 0.193 343 H THR 49 H THR 49 2.320 -5.432 2.510 344 HA THR 49 HA THR 49 -0.036 -4.109 2.909 345 HB THR 49 HB THR 49 -0.318 -6.324 3.370 346 HG1 THR 49 HG1 THR 49 0.259 -5.694 6.057 347 1HG2 THR 49 1HG2 THR 49 1.329 -7.493 5.043 348 2HG2 THR 49 2HG2 THR 49 2.385 -6.142 4.628 349 3HG2 THR 49 3HG2 THR 49 1.804 -7.228 3.366 350 H THR 50 H THR 50 2.651 -4.355 5.224 351 HA THR 50 HA THR 50 1.482 -2.943 7.327 352 HB THR 50 HB THR 50 4.406 -3.065 6.564 353 HG1 THR 50 HG1 THR 50 4.308 -5.016 7.362 354 1HG2 THR 50 1HG2 THR 50 2.973 -1.801 8.800 355 2HG2 THR 50 2HG2 THR 50 4.585 -1.480 8.159 356 3HG2 THR 50 3HG2 THR 50 4.329 -2.825 9.271 357 H LYS 51 H LYS 51 2.820 -1.832 4.335 358 HA LYS 51 HA LYS 51 3.034 0.923 5.225 359 1HB LYS 51 1HB LYS 51 4.715 0.269 3.685 360 2HB LYS 51 2HB LYS 51 3.541 -0.461 2.597 361 1HG LYS 51 1HG LYS 51 4.513 1.730 1.851 362 2HG LYS 51 2HG LYS 51 2.750 1.645 1.880 363 1HD LYS 51 1HD LYS 51 3.241 3.718 2.849 364 2HD LYS 51 2HD LYS 51 2.932 2.660 4.228 365 1HE LYS 51 1HE LYS 51 5.551 2.279 4.032 366 2HE LYS 51 2HE LYS 51 5.475 3.873 3.283 367 1HZ LYS 51 1HZ LYS 51 5.282 4.788 5.273 368 2HZ LYS 51 2HZ LYS 51 5.454 3.268 5.994 369 3HZ LYS 51 3HZ LYS 51 3.913 3.860 5.627 370 H ALA 52 H ALA 52 1.098 -0.924 2.879 371 HA ALA 52 HA ALA 52 -0.542 1.177 2.032 372 1HB ALA 52 1HB ALA 52 -0.878 -0.560 0.640 373 2HB ALA 52 2HB ALA 52 -0.627 -1.762 1.907 374 3HB ALA 52 3HB ALA 52 -2.184 -0.947 1.761 375 H LYS 53 H LYS 53 -0.963 -1.149 4.676 376 HA LYS 53 HA LYS 53 -3.508 -0.585 5.506 377 1HB LYS 53 1HB LYS 53 -2.796 -1.234 7.765 378 2HB LYS 53 2HB LYS 53 -2.124 -2.307 6.545 379 1HG LYS 53 1HG LYS 53 -0.270 -1.984 7.808 380 2HG LYS 53 2HG LYS 53 -0.093 -0.619 6.703 381 1HD LYS 53 1HD LYS 53 -0.630 0.921 8.303 382 2HD LYS 53 2HD LYS 53 -1.671 -0.198 9.186 383 1HE LYS 53 1HE LYS 53 0.234 -1.333 10.105 384 2HE LYS 53 2HE LYS 53 1.335 -0.399 9.093 385 1HZ LYS 53 1HZ LYS 53 1.039 1.485 10.355 386 2HZ LYS 53 2HZ LYS 53 0.977 0.281 11.541 387 3HZ LYS 53 3HZ LYS 53 -0.454 0.985 10.976 388 H GLN 54 H GLN 54 -0.617 1.348 5.969 389 HA GLN 54 HA GLN 54 -1.752 3.167 7.838 390 1HB GLN 54 1HB GLN 54 0.614 3.476 5.982 391 2HB GLN 54 2HB GLN 54 0.201 4.594 7.276 392 1HG GLN 54 1HG GLN 54 0.433 2.686 8.877 393 2HG GLN 54 2HG GLN 54 1.065 1.727 7.539 394 1HE2 GLN 54 1HE2 GLN 54 3.169 1.529 7.775 395 2HE2 GLN 54 2HE2 GLN 54 4.271 2.793 8.191 396 H LEU 55 H LEU 55 -1.423 3.142 4.323 397 HA LEU 55 HA LEU 55 -2.379 5.770 3.892 398 1HB LEU 55 1HB LEU 55 -2.612 3.460 1.979 399 2HB LEU 55 2HB LEU 55 -2.540 5.178 1.593 400 HG LEU 55 HG LEU 55 -0.254 3.622 2.794 401 1HD1 LEU 55 1HD1 LEU 55 -1.183 3.897 0.020 402 2HD1 LEU 55 2HD1 LEU 55 -0.154 2.672 0.761 403 3HD1 LEU 55 3HD1 LEU 55 0.531 4.224 0.280 404 1HD2 LEU 55 1HD2 LEU 55 -0.714 6.436 2.026 405 2HD2 LEU 55 2HD2 LEU 55 0.841 5.741 1.565 406 3HD2 LEU 55 3HD2 LEU 55 0.346 5.751 3.259 407 H LYS 56 H LYS 56 -3.959 2.638 4.149 408 HA LYS 56 HA LYS 56 -6.504 3.368 3.231 409 1HB LYS 56 1HB LYS 56 -5.686 1.032 3.675 410 2HB LYS 56 2HB LYS 56 -5.901 1.345 5.392 411 1HG LYS 56 1HG LYS 56 -8.337 2.000 4.595 412 2HG LYS 56 2HG LYS 56 -7.925 0.908 3.270 413 1HD LYS 56 1HD LYS 56 -8.954 -0.454 4.887 414 2HD LYS 56 2HD LYS 56 -7.225 -0.751 5.075 415 1HE LYS 56 1HE LYS 56 -7.333 1.114 6.857 416 2HE LYS 56 2HE LYS 56 -9.073 0.830 6.827 417 1HZ LYS 56 1HZ LYS 56 -8.292 -1.642 7.110 418 2HZ LYS 56 2HZ LYS 56 -8.449 -0.619 8.448 419 3HZ LYS 56 3HZ LYS 56 -6.922 -0.911 7.782 420 H ASP 57 H ASP 57 -5.275 3.206 6.574 421 HA ASP 57 HA ASP 57 -7.568 4.200 7.826 422 1HB ASP 57 1HB ASP 57 -5.399 3.142 8.823 423 2HB ASP 57 2HB ASP 57 -4.827 4.807 8.883 424 H SER 58 H SER 58 -4.717 5.892 6.574 425 HA SER 58 HA SER 58 -5.404 8.465 7.455 426 1HB SER 58 1HB SER 58 -3.168 8.049 6.686 427 2HB SER 58 2HB SER 58 -3.747 7.548 5.097 428 HG SER 58 HG SER 58 -4.455 10.097 5.958 429 H VAL 59 H VAL 59 -7.640 8.718 7.090 430 HA VAL 59 HA VAL 59 -8.273 9.556 4.354 431 HB VAL 59 HB VAL 59 -10.512 8.522 4.502 432 1HG1 VAL 59 1HG1 VAL 59 -7.987 7.062 4.293 433 2HG1 VAL 59 2HG1 VAL 59 -9.384 6.038 4.626 434 3HG1 VAL 59 3HG1 VAL 59 -9.377 7.088 3.208 435 1HG2 VAL 59 1HG2 VAL 59 -9.692 6.672 6.643 436 2HG2 VAL 59 2HG2 VAL 59 -10.073 8.316 7.155 437 3HG2 VAL 59 3HG2 VAL 59 -11.274 7.364 6.284 438 H THR 60 H THR 60 -10.602 10.593 4.418 439 HA THR 60 HA THR 60 -10.589 12.474 6.681 440 HB THR 60 HB THR 60 -11.887 13.987 5.182 441 HG1 THR 60 HG1 THR 60 -11.563 13.273 2.838 442 1HG2 THR 60 1HG2 THR 60 -9.366 13.225 3.755 443 2HG2 THR 60 2HG2 THR 60 -9.299 13.868 5.396 444 3HG2 THR 60 3HG2 THR 60 -10.012 14.828 4.100 445 H CYS 61 H CYS 61 -11.855 11.261 8.102 446 HA CYS 61 HA CYS 61 -14.694 11.460 7.636 447 1HB CYS 61 1HB CYS 61 -14.193 9.292 6.596 448 2HB CYS 61 2HB CYS 61 -13.427 8.750 8.085 449 HG CYS 61 HG CYS 61 -16.752 9.408 7.627 450 H SER 62 H SER 62 -15.792 11.767 9.497 451 HA SER 62 HA SER 62 -14.718 12.629 11.792 452 1HB SER 62 1HB SER 62 -17.238 11.004 11.437 453 2HB SER 62 2HB SER 62 -16.801 11.752 12.974 454 HG SER 62 HG SER 62 -17.315 13.648 12.199 455 HA PRO 63 HA PRO 63 -12.465 9.158 13.421 456 1HB PRO 63 1HB PRO 63 -11.630 10.398 15.688 457 2HB PRO 63 2HB PRO 63 -10.902 10.698 14.106 458 1HG PRO 63 1HG PRO 63 -12.946 12.308 15.587 459 2HG PRO 63 2HG PRO 63 -11.525 12.863 14.683 460 1HD PRO 63 1HD PRO 63 -14.028 12.940 13.653 461 2HD PRO 63 2HD PRO 63 -12.589 12.673 12.647 462 H GLY 64 H GLY 64 -12.452 7.874 15.431 463 1HA GLY 64 1HA GLY 64 -14.987 8.124 16.927 464 2HA GLY 64 2HA GLY 64 -14.421 6.574 16.323 465 H MET 65 H MET 65 -15.007 7.326 19.062 466 HA MET 65 HA MET 65 -12.338 7.255 20.285 467 1HB MET 65 1HB MET 65 -15.034 8.125 21.238 468 2HB MET 65 2HB MET 65 -13.858 7.565 22.420 469 1HG MET 65 1HG MET 65 -12.257 9.247 21.495 470 2HG MET 65 2HG MET 65 -13.583 9.878 20.522 471 1HE MET 65 1HE MET 65 -13.181 12.647 23.169 472 2HE MET 65 2HE MET 65 -12.326 11.902 21.818 473 3HE MET 65 3HE MET 65 -13.997 12.435 21.619 474 H VAL 66 H VAL 66 -15.504 5.645 20.425 475 HA VAL 66 HA VAL 66 -14.221 3.358 21.757 476 HB VAL 66 HB VAL 66 -16.196 4.380 22.887 477 1HG1 VAL 66 1HG1 VAL 66 -17.496 5.049 20.976 478 2HG1 VAL 66 2HG1 VAL 66 -17.645 3.374 20.441 479 3HG1 VAL 66 3HG1 VAL 66 -18.434 3.900 21.929 480 1HG2 VAL 66 1HG2 VAL 66 -15.473 1.903 22.975 481 2HG2 VAL 66 2HG2 VAL 66 -17.059 2.345 23.608 482 3HG2 VAL 66 3HG2 VAL 66 -16.920 1.608 22.011 483 H SER 67 H SER 67 -14.154 1.389 20.818 484 HA SER 67 HA SER 67 -15.146 1.203 18.064 485 1HB SER 67 1HB SER 67 -12.973 -0.245 19.567 486 2HB SER 67 2HB SER 67 -13.599 -0.855 18.035 487 HG SER 67 HG SER 67 -12.746 1.818 18.268 488 H GLY 68 H GLY 68 -17.253 0.568 18.267 489 1HA GLY 68 1HA GLY 68 -19.010 -0.877 18.565 490 2HA GLY 68 2HA GLY 68 -17.808 -2.155 18.660 491 HA PRO 69 HA PRO 69 -19.912 -2.024 22.750 492 1HB PRO 69 1HB PRO 69 -19.938 -4.721 23.064 493 2HB PRO 69 2HB PRO 69 -21.189 -3.845 22.173 494 1HG PRO 69 1HG PRO 69 -18.817 -5.342 21.128 495 2HG PRO 69 2HG PRO 69 -20.486 -5.330 20.528 496 1HD PRO 69 1HD PRO 69 -18.512 -3.879 19.374 497 2HD PRO 69 2HD PRO 69 -20.202 -3.336 19.409 498 H SER 70 H SER 70 -18.719 -1.706 24.514 499 HA SER 70 HA SER 70 -15.965 -2.236 24.642 500 1HB SER 70 1HB SER 70 -17.989 -1.510 26.761 501 2HB SER 70 2HB SER 70 -16.274 -1.707 27.122 502 HG SER 70 HG SER 70 -16.664 0.446 26.670 503 H SER 71 H SER 71 -14.819 -3.948 25.288 504 HA SER 71 HA SER 71 -15.696 -5.856 27.183 505 1HB SER 71 1HB SER 71 -17.009 -6.351 24.941 506 2HB SER 71 2HB SER 71 -15.491 -7.121 24.481 507 HG SER 71 HG SER 71 -16.611 -7.704 26.983 508 H GLY 72 H GLY 72 -14.125 -7.557 27.542 509 1HA GLY 72 1HA GLY 72 -11.933 -8.164 27.896 510 2HA GLY 72 2HA GLY 72 -11.817 -8.056 26.146 Start of MODEL 15 1 1H GLY 1 1H GLY 1 34.605 -10.816 7.499 2 1HA GLY 1 1HA GLY 1 33.347 -8.152 7.719 3 2HA GLY 1 2HA GLY 1 32.753 -9.439 6.680 4 H SER 2 H SER 2 32.449 -7.934 9.668 5 HA SER 2 HA SER 2 31.195 -10.249 10.941 6 1HB SER 2 1HB SER 2 31.066 -8.765 12.943 7 2HB SER 2 2HB SER 2 32.711 -8.988 12.350 8 HG SER 2 HG SER 2 31.022 -6.740 12.016 9 H SER 3 H SER 3 30.434 -6.937 9.936 10 HA SER 3 HA SER 3 27.769 -6.876 10.778 11 1HB SER 3 1HB SER 3 29.340 -5.010 9.767 12 2HB SER 3 2HB SER 3 28.567 -5.482 8.254 13 HG SER 3 HG SER 3 27.341 -4.489 10.605 14 H GLY 4 H GLY 4 26.139 -8.141 10.200 15 1HA GLY 4 1HA GLY 4 26.253 -9.836 7.905 16 2HA GLY 4 2HA GLY 4 24.885 -9.649 8.991 17 H SER 5 H SER 5 24.022 -9.953 6.616 18 HA SER 5 HA SER 5 23.415 -7.250 5.625 19 1HB SER 5 1HB SER 5 24.278 -9.670 4.076 20 2HB SER 5 2HB SER 5 23.218 -8.479 3.321 21 HG SER 5 HG SER 5 25.869 -8.211 4.195 22 H SER 6 H SER 6 21.363 -6.943 6.212 23 HA SER 6 HA SER 6 19.266 -8.423 5.035 24 1HB SER 6 1HB SER 6 18.259 -9.386 7.075 25 2HB SER 6 2HB SER 6 19.838 -10.094 6.733 26 HG SER 6 HG SER 6 20.495 -8.194 8.239 27 H GLY 7 H GLY 7 17.742 -6.953 4.703 28 1HA GLY 7 1HA GLY 7 16.263 -5.515 6.411 29 2HA GLY 7 2HA GLY 7 17.710 -4.524 6.297 30 H ALA 8 H ALA 8 14.761 -4.382 5.334 31 HA ALA 8 HA ALA 8 15.169 -3.983 2.477 32 1HB ALA 8 1HB ALA 8 13.101 -4.850 2.565 33 2HB ALA 8 2HB ALA 8 12.856 -4.357 4.241 34 3HB ALA 8 3HB ALA 8 12.610 -3.197 2.936 35 HA PRO 9 HA PRO 9 15.873 0.352 2.780 36 1HB PRO 9 1HB PRO 9 15.069 1.095 0.296 37 2HB PRO 9 2HB PRO 9 16.584 0.237 0.599 38 1HG PRO 9 1HG PRO 9 13.953 -0.839 -0.340 39 2HG PRO 9 2HG PRO 9 15.587 -1.222 -0.913 40 1HD PRO 9 1HD PRO 9 14.225 -2.829 0.789 41 2HD PRO 9 2HD PRO 9 15.993 -2.674 0.831 42 H GLU 10 H GLU 10 14.766 2.431 2.649 43 HA GLU 10 HA GLU 10 12.162 2.326 3.759 44 1HB GLU 10 1HB GLU 10 12.273 4.690 3.887 45 2HB GLU 10 2HB GLU 10 13.911 4.113 4.157 46 1HG GLU 10 1HG GLU 10 13.130 4.811 1.384 47 2HG GLU 10 2HG GLU 10 13.378 6.125 2.533 48 H TRP 11 H TRP 11 10.546 4.112 2.739 49 HA TRP 11 HA TRP 11 9.890 3.029 0.101 50 1HB TRP 11 1HB TRP 11 8.288 4.419 2.233 51 2HB TRP 11 2HB TRP 11 7.676 4.282 0.587 52 HD1 TRP 11 HD1 TRP 11 8.460 2.168 3.677 53 HE1 TRP 11 HE1 TRP 11 7.325 -0.127 3.414 54 HE3 TRP 11 HE3 TRP 11 6.847 2.610 -1.154 55 HZ2 TRP 11 HZ2 TRP 11 5.931 -1.561 1.422 56 HZ3 TRP 11 HZ3 TRP 11 5.620 0.731 -2.164 57 HH2 TRP 11 HH2 TRP 11 5.173 -1.310 -0.901 58 H THR 12 H THR 12 9.841 4.233 -1.714 59 HA THR 12 HA THR 12 10.376 7.120 -1.447 60 HB THR 12 HB THR 12 11.713 7.034 -3.487 61 HG1 THR 12 HG1 THR 12 11.670 5.325 -4.733 62 1HG2 THR 12 1HG2 THR 12 13.630 5.717 -2.632 63 2HG2 THR 12 2HG2 THR 12 12.568 5.013 -1.412 64 3HG2 THR 12 3HG2 THR 12 12.902 6.744 -1.397 65 H GLU 13 H GLU 13 9.464 8.495 -3.019 66 HA GLU 13 HA GLU 13 6.897 8.290 -3.685 67 1HB GLU 13 1HB GLU 13 9.177 9.612 -5.056 68 2HB GLU 13 2HB GLU 13 7.662 9.516 -5.942 69 1HG GLU 13 1HG GLU 13 6.547 10.876 -4.460 70 2HG GLU 13 2HG GLU 13 7.660 10.525 -3.138 71 H GLU 14 H GLU 14 9.524 6.843 -5.554 72 HA GLU 14 HA GLU 14 7.979 5.902 -7.704 73 1HB GLU 14 1HB GLU 14 10.438 6.013 -7.744 74 2HB GLU 14 2HB GLU 14 10.514 4.730 -6.545 75 1HG GLU 14 1HG GLU 14 9.805 3.109 -8.042 76 2HG GLU 14 2HG GLU 14 9.106 4.294 -9.144 77 H ASP 15 H ASP 15 8.957 4.322 -4.677 78 HA ASP 15 HA ASP 15 7.549 1.900 -5.258 79 1HB ASP 15 1HB ASP 15 9.099 2.992 -2.973 80 2HB ASP 15 2HB ASP 15 7.914 1.744 -2.598 81 H LEU 16 H LEU 16 6.773 4.909 -3.694 82 HA LEU 16 HA LEU 16 4.398 3.936 -2.403 83 1HB LEU 16 1HB LEU 16 5.651 6.615 -2.816 84 2HB LEU 16 2HB LEU 16 3.977 6.510 -2.274 85 HG LEU 16 HG LEU 16 6.252 5.183 -0.815 86 1HD1 LEU 16 1HD1 LEU 16 5.426 8.001 -0.875 87 2HD1 LEU 16 2HD1 LEU 16 6.950 7.271 -0.370 88 3HD1 LEU 16 3HD1 LEU 16 5.576 7.296 0.735 89 1HD2 LEU 16 1HD2 LEU 16 4.498 5.531 1.062 90 2HD2 LEU 16 2HD2 LEU 16 4.283 4.209 -0.086 91 3HD2 LEU 16 3HD2 LEU 16 3.356 5.699 -0.271 92 H SER 17 H SER 17 5.193 5.480 -5.443 93 HA SER 17 HA SER 17 2.437 5.967 -6.147 94 1HB SER 17 1HB SER 17 4.666 7.198 -6.925 95 2HB SER 17 2HB SER 17 4.596 5.989 -8.207 96 HG SER 17 HG SER 17 2.387 7.620 -7.520 97 H GLN 18 H GLN 18 4.872 3.528 -6.761 98 HA GLN 18 HA GLN 18 3.545 2.210 -8.885 99 1HB GLN 18 1HB GLN 18 5.711 1.442 -6.961 100 2HB GLN 18 2HB GLN 18 5.003 0.225 -8.015 101 1HG GLN 18 1HG GLN 18 5.946 2.763 -9.232 102 2HG GLN 18 2HG GLN 18 7.146 1.583 -8.709 103 1HE2 GLN 18 1HE2 GLN 18 4.208 1.914 -10.645 104 2HE2 GLN 18 2HE2 GLN 18 4.636 0.723 -11.821 105 H LEU 19 H LEU 19 3.463 1.823 -5.379 106 HA LEU 19 HA LEU 19 2.099 -0.548 -5.119 107 1HB LEU 19 1HB LEU 19 2.918 0.655 -3.206 108 2HB LEU 19 2HB LEU 19 1.812 1.991 -3.521 109 HG LEU 19 HG LEU 19 -0.086 0.479 -3.008 110 1HD1 LEU 19 1HD1 LEU 19 2.154 -1.448 -2.534 111 2HD1 LEU 19 2HD1 LEU 19 0.653 -1.679 -3.430 112 3HD1 LEU 19 3HD1 LEU 19 0.626 -1.604 -1.668 113 1HD2 LEU 19 1HD2 LEU 19 2.046 0.968 -0.948 114 2HD2 LEU 19 2HD2 LEU 19 0.476 0.280 -0.531 115 3HD2 LEU 19 3HD2 LEU 19 0.572 1.889 -1.249 116 H THR 20 H THR 20 0.674 2.689 -5.522 117 HA THR 20 HA THR 20 -2.001 2.023 -5.454 118 HB THR 20 HB THR 20 -0.778 4.077 -7.306 119 HG1 THR 20 HG1 THR 20 -1.753 4.557 -4.686 120 1HG2 THR 20 1HG2 THR 20 -3.151 3.604 -7.730 121 2HG2 THR 20 2HG2 THR 20 -2.923 5.223 -7.067 122 3HG2 THR 20 3HG2 THR 20 -3.514 3.921 -6.034 123 H ARG 21 H ARG 21 0.310 1.602 -8.054 124 HA ARG 21 HA ARG 21 -1.644 0.960 -10.046 125 1HB ARG 21 1HB ARG 21 1.300 0.285 -10.057 126 2HB ARG 21 2HB ARG 21 0.228 0.381 -11.448 127 1HG ARG 21 1HG ARG 21 0.534 2.804 -9.763 128 2HG ARG 21 2HG ARG 21 1.876 2.341 -10.811 129 1HD ARG 21 1HD ARG 21 0.327 3.926 -11.891 130 2HD ARG 21 2HD ARG 21 0.433 2.388 -12.746 131 HE ARG 21 HE ARG 21 -1.782 2.031 -12.300 132 1HH1 ARG 21 1HH1 ARG 21 -0.594 4.551 -10.213 133 2HH1 ARG 21 2HH1 ARG 21 -2.160 4.953 -9.589 134 1HH2 ARG 21 1HH2 ARG 21 -3.849 2.550 -11.487 135 2HH2 ARG 21 2HH2 ARG 21 -4.011 3.813 -10.314 136 H SER 22 H SER 22 0.549 -0.920 -7.990 137 HA SER 22 HA SER 22 -0.130 -3.453 -9.026 138 1HB SER 22 1HB SER 22 0.806 -4.302 -6.836 139 2HB SER 22 2HB SER 22 1.884 -3.242 -7.744 140 HG SER 22 HG SER 22 0.335 -2.622 -5.458 141 H MET 23 H MET 23 -1.323 -1.679 -6.185 142 HA MET 23 HA MET 23 -3.017 -3.488 -5.063 143 1HB MET 23 1HB MET 23 -3.396 -0.526 -5.480 144 2HB MET 23 2HB MET 23 -4.502 -1.494 -4.514 145 1HG MET 23 1HG MET 23 -2.544 -2.174 -3.114 146 2HG MET 23 2HG MET 23 -1.584 -0.993 -4.003 147 1HE MET 23 1HE MET 23 -3.098 -0.642 -0.265 148 2HE MET 23 2HE MET 23 -4.723 -0.727 -0.944 149 3HE MET 23 3HE MET 23 -3.532 -1.965 -1.348 150 H VAL 24 H VAL 24 -3.511 -1.689 -8.036 151 HA VAL 24 HA VAL 24 -6.250 -2.382 -8.376 152 HB VAL 24 HB VAL 24 -4.220 -1.539 -10.450 153 1HG1 VAL 24 1HG1 VAL 24 -5.954 -1.212 -11.958 154 2HG1 VAL 24 2HG1 VAL 24 -6.398 -2.729 -11.174 155 3HG1 VAL 24 3HG1 VAL 24 -7.187 -1.225 -10.698 156 1HG2 VAL 24 1HG2 VAL 24 -4.760 0.657 -10.036 157 2HG2 VAL 24 2HG2 VAL 24 -6.326 0.254 -9.332 158 3HG2 VAL 24 3HG2 VAL 24 -4.848 -0.019 -8.410 159 H LYS 25 H LYS 25 -3.209 -3.744 -9.572 160 HA LYS 25 HA LYS 25 -4.393 -5.718 -11.223 161 1HB LYS 25 1HB LYS 25 -1.945 -4.822 -11.152 162 2HB LYS 25 2HB LYS 25 -1.705 -6.070 -9.936 163 1HG LYS 25 1HG LYS 25 -2.312 -7.788 -11.497 164 2HG LYS 25 2HG LYS 25 -2.755 -6.584 -12.710 165 1HD LYS 25 1HD LYS 25 -0.383 -5.784 -12.655 166 2HD LYS 25 2HD LYS 25 -0.004 -7.162 -11.620 167 1HE LYS 25 1HE LYS 25 0.538 -7.960 -13.722 168 2HE LYS 25 2HE LYS 25 -1.106 -8.558 -13.508 169 1HZ LYS 25 1HZ LYS 25 -1.794 -6.435 -14.703 170 2HZ LYS 25 2HZ LYS 25 -1.084 -7.654 -15.636 171 3HZ LYS 25 3HZ LYS 25 -0.175 -6.304 -15.175 172 H PHE 26 H PHE 26 -3.756 -5.528 -7.824 173 HA PHE 26 HA PHE 26 -4.895 -8.214 -7.500 174 1HB PHE 26 1HB PHE 26 -2.713 -7.251 -5.672 175 2HB PHE 26 2HB PHE 26 -3.283 -8.895 -5.942 176 HD1 PHE 26 HD1 PHE 26 -0.762 -6.562 -6.676 177 HD2 PHE 26 HD2 PHE 26 -2.922 -9.820 -8.362 178 HE1 PHE 26 HE1 PHE 26 1.049 -6.916 -8.304 179 HE2 PHE 26 HE2 PHE 26 -1.113 -10.180 -9.991 180 HZ PHE 26 HZ PHE 26 0.876 -8.728 -9.963 181 HA PRO 27 HA PRO 27 -7.252 -5.160 -4.995 182 1HB PRO 27 1HB PRO 27 -9.656 -6.344 -5.431 183 2HB PRO 27 2HB PRO 27 -8.941 -5.180 -6.552 184 1HG PRO 27 1HG PRO 27 -8.961 -8.170 -6.685 185 2HG PRO 27 2HG PRO 27 -9.234 -6.991 -7.981 186 1HD PRO 27 1HD PRO 27 -6.868 -8.263 -7.644 187 2HD PRO 27 2HD PRO 27 -6.981 -6.610 -8.280 188 H GLY 28 H GLY 28 -9.188 -5.858 -3.393 189 1HA GLY 28 1HA GLY 28 -7.944 -7.546 -1.454 190 2HA GLY 28 2HA GLY 28 -9.530 -6.800 -1.319 191 H GLY 29 H GLY 29 -8.684 -9.502 -0.578 192 1HA GLY 29 1HA GLY 29 -9.894 -11.491 -0.523 193 2HA GLY 29 2HA GLY 29 -10.853 -10.916 -1.879 194 H THR 30 H THR 30 -8.175 -10.282 -3.240 195 HA THR 30 HA THR 30 -8.049 -12.638 -4.796 196 HB THR 30 HB THR 30 -6.541 -10.083 -4.704 197 HG1 THR 30 HG1 THR 30 -7.581 -11.647 -6.850 198 1HG2 THR 30 1HG2 THR 30 -4.714 -11.701 -4.742 199 2HG2 THR 30 2HG2 THR 30 -4.868 -10.902 -6.308 200 3HG2 THR 30 3HG2 THR 30 -5.474 -12.544 -6.091 201 HA PRO 31 HA PRO 31 -5.339 -15.136 -2.368 202 1HB PRO 31 1HB PRO 31 -4.561 -16.862 -4.314 203 2HB PRO 31 2HB PRO 31 -6.163 -16.914 -3.567 204 1HG PRO 31 1HG PRO 31 -5.328 -15.708 -6.177 205 2HG PRO 31 2HG PRO 31 -6.764 -16.678 -5.801 206 1HD PRO 31 1HD PRO 31 -6.840 -13.979 -6.002 207 2HD PRO 31 2HD PRO 31 -7.893 -14.884 -4.895 208 H GLY 32 H GLY 32 -3.447 -14.301 -1.719 209 1HA GLY 32 1HA GLY 32 -1.137 -14.019 -1.804 210 2HA GLY 32 2HA GLY 32 -1.181 -14.391 -3.521 211 H ARG 33 H ARG 33 -3.328 -11.984 -2.267 212 HA ARG 33 HA ARG 33 -2.721 -9.997 -4.027 213 1HB ARG 33 1HB ARG 33 -4.634 -9.845 -2.553 214 2HB ARG 33 2HB ARG 33 -3.587 -9.708 -1.147 215 1HG ARG 33 1HG ARG 33 -2.683 -7.591 -2.330 216 2HG ARG 33 2HG ARG 33 -4.175 -7.689 -3.267 217 1HD ARG 33 1HD ARG 33 -5.320 -7.899 -0.951 218 2HD ARG 33 2HD ARG 33 -3.808 -7.237 -0.331 219 HE ARG 33 HE ARG 33 -4.753 -5.637 -2.452 220 1HH1 ARG 33 1HH1 ARG 33 -5.447 -6.432 0.866 221 2HH1 ARG 33 2HH1 ARG 33 -6.184 -4.904 1.214 222 1HH2 ARG 33 1HH2 ARG 33 -5.721 -3.621 -2.006 223 2HH2 ARG 33 2HH2 ARG 33 -6.341 -3.306 -0.420 224 H TRP 34 H TRP 34 -1.646 -9.718 -0.645 225 HA TRP 34 HA TRP 34 0.308 -7.796 -1.122 226 1HB TRP 34 1HB TRP 34 0.180 -9.873 1.075 227 2HB TRP 34 2HB TRP 34 1.242 -8.468 1.083 228 HD1 TRP 34 HD1 TRP 34 -1.784 -9.473 2.649 229 HE1 TRP 34 HE1 TRP 34 -3.303 -7.484 3.251 230 HE3 TRP 34 HE3 TRP 34 0.370 -5.889 -0.292 231 HZ2 TRP 34 HZ2 TRP 34 -3.555 -4.757 2.568 232 HZ3 TRP 34 HZ3 TRP 34 -0.570 -3.616 -0.260 233 HH2 TRP 34 HH2 TRP 34 -2.493 -3.064 1.140 234 H GLU 35 H GLU 35 0.428 -11.268 -1.437 235 HA GLU 35 HA GLU 35 3.251 -11.532 -1.521 236 1HB GLU 35 1HB GLU 35 0.919 -13.241 -2.198 237 2HB GLU 35 2HB GLU 35 2.456 -13.665 -2.938 238 1HG GLU 35 1HG GLU 35 3.459 -13.672 -0.649 239 2HG GLU 35 2HG GLU 35 1.830 -13.476 -0.004 240 H LYS 36 H LYS 36 0.819 -10.752 -3.905 241 HA LYS 36 HA LYS 36 2.642 -11.029 -6.134 242 1HB LYS 36 1HB LYS 36 -0.155 -9.889 -5.992 243 2HB LYS 36 2HB LYS 36 0.752 -10.158 -7.474 244 1HG LYS 36 1HG LYS 36 0.400 -12.389 -7.449 245 2HG LYS 36 2HG LYS 36 0.438 -12.487 -5.687 246 1HD LYS 36 1HD LYS 36 -1.790 -12.022 -5.477 247 2HD LYS 36 2HD LYS 36 -1.836 -11.049 -6.949 248 1HE LYS 36 1HE LYS 36 -1.325 -13.395 -8.068 249 2HE LYS 36 2HE LYS 36 -2.091 -13.990 -6.597 250 1HZ LYS 36 1HZ LYS 36 -3.300 -12.891 -8.893 251 2HZ LYS 36 2HZ LYS 36 -3.674 -11.921 -7.558 252 3HZ LYS 36 3HZ LYS 36 -4.038 -13.573 -7.532 253 H ILE 37 H ILE 37 1.055 -8.381 -4.385 254 HA ILE 37 HA ILE 37 2.048 -6.260 -5.913 255 HB ILE 37 HB ILE 37 1.303 -6.359 -2.991 256 1HG1 ILE 37 1HG1 ILE 37 -0.188 -5.195 -5.349 257 2HG1 ILE 37 2HG1 ILE 37 -0.472 -6.812 -4.715 258 1HG2 ILE 37 1HG2 ILE 37 1.034 -3.745 -3.802 259 2HG2 ILE 37 2HG2 ILE 37 2.339 -4.391 -2.808 260 3HG2 ILE 37 3HG2 ILE 37 2.550 -4.244 -4.553 261 1HD1 ILE 37 1HD1 ILE 37 -0.684 -5.249 -2.479 262 2HD1 ILE 37 2HD1 ILE 37 -1.383 -4.231 -3.738 263 3HD1 ILE 37 3HD1 ILE 37 -2.027 -5.848 -3.453 264 H ALA 38 H ALA 38 3.452 -8.001 -3.186 265 HA ALA 38 HA ALA 38 5.654 -6.287 -2.761 266 1HB ALA 38 1HB ALA 38 6.281 -7.761 -1.170 267 2HB ALA 38 2HB ALA 38 4.653 -8.389 -1.423 268 3HB ALA 38 3HB ALA 38 6.028 -9.162 -2.211 269 H HIS 39 H HIS 39 5.344 -9.298 -4.634 270 HA HIS 39 HA HIS 39 7.990 -9.426 -5.538 271 1HB HIS 39 1HB HIS 39 5.952 -11.110 -5.731 272 2HB HIS 39 2HB HIS 39 5.778 -10.359 -7.314 273 HD1 HIS 39 HD1 HIS 39 6.592 -13.348 -6.920 274 HD2 HIS 39 HD2 HIS 39 9.240 -10.213 -7.569 275 HE1 HIS 39 HE1 HIS 39 8.662 -14.404 -7.881 276 H GLU 40 H GLU 40 5.285 -7.517 -6.605 277 HA GLU 40 HA GLU 40 6.493 -6.772 -9.113 278 1HB GLU 40 1HB GLU 40 4.055 -5.798 -7.630 279 2HB GLU 40 2HB GLU 40 4.587 -5.090 -9.148 280 1HG GLU 40 1HG GLU 40 3.943 -8.006 -8.805 281 2HG GLU 40 2HG GLU 40 2.780 -6.799 -9.348 282 H LEU 41 H LEU 41 5.814 -5.120 -6.035 283 HA LEU 41 HA LEU 41 7.150 -2.720 -6.771 284 1HB LEU 41 1HB LEU 41 6.382 -3.812 -4.069 285 2HB LEU 41 2HB LEU 41 7.000 -2.186 -4.351 286 HG LEU 41 HG LEU 41 4.369 -3.331 -5.269 287 1HD1 LEU 41 1HD1 LEU 41 4.057 -0.893 -3.943 288 2HD1 LEU 41 2HD1 LEU 41 5.229 -1.802 -2.991 289 3HD1 LEU 41 3HD1 LEU 41 3.649 -2.501 -3.343 290 1HD2 LEU 41 1HD2 LEU 41 4.005 -0.991 -6.152 291 2HD2 LEU 41 2HD2 LEU 41 5.107 -2.006 -7.081 292 3HD2 LEU 41 3HD2 LEU 41 5.747 -0.761 -6.007 293 H GLY 42 H GLY 42 8.190 -5.753 -5.486 294 1HA GLY 42 1HA GLY 42 10.426 -6.484 -5.476 295 2HA GLY 42 2HA GLY 42 10.951 -4.809 -5.552 296 H ARG 43 H ARG 43 8.531 -5.554 -3.236 297 HA ARG 43 HA ARG 43 10.567 -5.511 -1.106 298 1HB ARG 43 1HB ARG 43 7.800 -4.293 -1.116 299 2HB ARG 43 2HB ARG 43 8.839 -4.384 0.299 300 1HG ARG 43 1HG ARG 43 10.478 -2.964 -0.763 301 2HG ARG 43 2HG ARG 43 9.528 -2.939 -2.250 302 1HD ARG 43 1HD ARG 43 7.674 -1.881 -0.995 303 2HD ARG 43 2HD ARG 43 8.710 -1.826 0.430 304 HE ARG 43 HE ARG 43 8.734 -0.015 -1.752 305 1HH1 ARG 43 1HH1 ARG 43 10.820 -1.616 0.530 306 2HH1 ARG 43 2HH1 ARG 43 12.032 -0.378 0.489 307 1HH2 ARG 43 1HH2 ARG 43 10.322 1.621 -1.815 308 2HH2 ARG 43 2HH2 ARG 43 11.747 1.464 -0.844 309 H SER 44 H SER 44 9.268 -6.170 1.076 310 HA SER 44 HA SER 44 8.410 -8.909 0.552 311 1HB SER 44 1HB SER 44 9.460 -7.443 2.941 312 2HB SER 44 2HB SER 44 8.508 -8.907 3.189 313 HG SER 44 HG SER 44 11.068 -8.629 2.301 314 H VAL 45 H VAL 45 6.453 -9.757 1.176 315 HA VAL 45 HA VAL 45 4.139 -8.456 0.895 316 HB VAL 45 HB VAL 45 4.673 -10.633 2.917 317 1HG1 VAL 45 1HG1 VAL 45 1.982 -10.626 1.974 318 2HG1 VAL 45 2HG1 VAL 45 2.577 -10.478 3.629 319 3HG1 VAL 45 3HG1 VAL 45 2.359 -9.036 2.637 320 1HG2 VAL 45 1HG2 VAL 45 3.285 -11.788 0.923 321 2HG2 VAL 45 2HG2 VAL 45 4.147 -10.547 0.014 322 3HG2 VAL 45 3HG2 VAL 45 5.046 -11.723 0.972 323 H THR 46 H THR 46 5.149 -9.184 4.228 324 HA THR 46 HA THR 46 3.498 -7.493 5.575 325 HB THR 46 HB THR 46 4.915 -8.995 6.802 326 HG1 THR 46 HG1 THR 46 4.412 -6.643 7.575 327 1HG2 THR 46 1HG2 THR 46 7.319 -8.682 7.009 328 2HG2 THR 46 2HG2 THR 46 7.248 -7.280 5.941 329 3HG2 THR 46 3HG2 THR 46 6.877 -8.886 5.314 330 H ASP 47 H ASP 47 6.649 -6.656 4.175 331 HA ASP 47 HA ASP 47 6.885 -4.054 5.089 332 1HB ASP 47 1HB ASP 47 8.455 -5.556 3.586 333 2HB ASP 47 2HB ASP 47 7.678 -4.674 2.274 334 H VAL 48 H VAL 48 5.081 -5.289 2.315 335 HA VAL 48 HA VAL 48 4.293 -2.699 1.384 336 HB VAL 48 HB VAL 48 2.685 -5.095 0.668 337 1HG1 VAL 48 1HG1 VAL 48 3.208 -2.494 -0.365 338 2HG1 VAL 48 2HG1 VAL 48 3.726 -3.689 -1.556 339 3HG1 VAL 48 3HG1 VAL 48 2.070 -3.707 -0.950 340 1HG2 VAL 48 1HG2 VAL 48 4.623 -6.286 0.497 341 2HG2 VAL 48 2HG2 VAL 48 4.645 -5.482 -1.072 342 3HG2 VAL 48 3HG2 VAL 48 5.617 -4.850 0.256 343 H THR 49 H THR 49 2.283 -5.382 2.602 344 HA THR 49 HA THR 49 -0.053 -4.039 3.026 345 HB THR 49 HB THR 49 -0.323 -6.269 3.461 346 HG1 THR 49 HG1 THR 49 0.162 -5.708 6.165 347 1HG2 THR 49 1HG2 THR 49 2.348 -6.067 4.777 348 2HG2 THR 49 2HG2 THR 49 1.788 -7.183 3.531 349 3HG2 THR 49 3HG2 THR 49 1.285 -7.406 5.207 350 H THR 50 H THR 50 2.702 -4.238 5.249 351 HA THR 50 HA THR 50 1.565 -2.882 7.413 352 HB THR 50 HB THR 50 4.463 -2.926 6.548 353 HG1 THR 50 HG1 THR 50 3.361 -4.469 8.634 354 1HG2 THR 50 1HG2 THR 50 4.676 -1.360 8.152 355 2HG2 THR 50 2HG2 THR 50 4.456 -2.709 9.266 356 3HG2 THR 50 3HG2 THR 50 3.082 -1.695 8.826 357 H LYS 51 H LYS 51 2.885 -1.707 4.414 358 HA LYS 51 HA LYS 51 2.977 1.046 5.325 359 1HB LYS 51 1HB LYS 51 4.695 0.356 3.786 360 2HB LYS 51 2HB LYS 51 3.500 -0.231 2.638 361 1HG LYS 51 1HG LYS 51 4.523 1.933 2.007 362 2HG LYS 51 2HG LYS 51 2.766 1.996 2.163 363 1HD LYS 51 1HD LYS 51 3.623 3.950 3.210 364 2HD LYS 51 2HD LYS 51 3.114 2.860 4.502 365 1HE LYS 51 1HE LYS 51 5.925 2.656 3.589 366 2HE LYS 51 2HE LYS 51 5.480 4.100 4.497 367 1HZ LYS 51 1HZ LYS 51 5.769 1.376 5.399 368 2HZ LYS 51 2HZ LYS 51 4.370 2.139 5.964 369 3HZ LYS 51 3HZ LYS 51 5.887 2.822 6.269 370 H ALA 52 H ALA 52 1.141 -0.854 2.943 371 HA ALA 52 HA ALA 52 -0.564 1.190 2.085 372 1HB ALA 52 1HB ALA 52 -1.945 -1.318 2.083 373 2HB ALA 52 2HB ALA 52 -1.275 -0.412 0.726 374 3HB ALA 52 3HB ALA 52 -0.266 -1.562 1.603 375 H LYS 53 H LYS 53 -0.902 -1.133 4.738 376 HA LYS 53 HA LYS 53 -3.492 -0.654 5.527 377 1HB LYS 53 1HB LYS 53 -2.720 -1.239 7.834 378 2HB LYS 53 2HB LYS 53 -2.205 -2.375 6.594 379 1HG LYS 53 1HG LYS 53 -0.265 -2.151 7.762 380 2HG LYS 53 2HG LYS 53 -0.052 -0.865 6.573 381 1HD LYS 53 1HD LYS 53 0.464 0.264 8.501 382 2HD LYS 53 2HD LYS 53 -1.270 0.580 8.404 383 1HE LYS 53 1HE LYS 53 -1.711 -1.231 9.958 384 2HE LYS 53 2HE LYS 53 0.004 -1.639 10.004 385 1HZ LYS 53 1HZ LYS 53 0.205 0.845 10.742 386 2HZ LYS 53 2HZ LYS 53 -0.182 -0.358 11.865 387 3HZ LYS 53 3HZ LYS 53 -1.401 0.625 11.226 388 H GLN 54 H GLN 54 -0.635 1.311 6.092 389 HA GLN 54 HA GLN 54 -1.829 3.080 7.966 390 1HB GLN 54 1HB GLN 54 0.538 3.509 6.135 391 2HB GLN 54 2HB GLN 54 0.103 4.539 7.491 392 1HG GLN 54 1HG GLN 54 0.279 2.318 8.854 393 2HG GLN 54 2HG GLN 54 1.265 1.799 7.488 394 1HE2 GLN 54 1HE2 GLN 54 2.877 1.669 9.258 395 2HE2 GLN 54 2HE2 GLN 54 3.799 3.086 9.613 396 H LEU 55 H LEU 55 -1.482 3.110 4.455 397 HA LEU 55 HA LEU 55 -2.492 5.733 4.071 398 1HB LEU 55 1HB LEU 55 -2.607 3.464 2.099 399 2HB LEU 55 2HB LEU 55 -2.596 5.192 1.753 400 HG LEU 55 HG LEU 55 -0.267 3.742 2.997 401 1HD1 LEU 55 1HD1 LEU 55 -0.624 4.461 0.094 402 2HD1 LEU 55 2HD1 LEU 55 -0.838 2.838 0.750 403 3HD1 LEU 55 3HD1 LEU 55 0.740 3.620 0.832 404 1HD2 LEU 55 1HD2 LEU 55 -0.487 6.411 1.609 405 2HD2 LEU 55 2HD2 LEU 55 0.980 5.708 2.292 406 3HD2 LEU 55 3HD2 LEU 55 -0.355 6.166 3.350 407 H LYS 56 H LYS 56 -3.985 2.521 3.964 408 HA LYS 56 HA LYS 56 -6.515 3.185 3.084 409 1HB LYS 56 1HB LYS 56 -5.900 0.883 3.377 410 2HB LYS 56 2HB LYS 56 -5.650 1.112 5.102 411 1HG LYS 56 1HG LYS 56 -8.050 1.542 5.381 412 2HG LYS 56 2HG LYS 56 -8.286 1.264 3.653 413 1HD LYS 56 1HD LYS 56 -8.842 -0.779 4.661 414 2HD LYS 56 2HD LYS 56 -7.202 -1.017 4.055 415 1HE LYS 56 1HE LYS 56 -6.269 -0.785 6.213 416 2HE LYS 56 2HE LYS 56 -7.771 -0.143 6.875 417 1HZ LYS 56 1HZ LYS 56 -8.458 -2.183 7.335 418 2HZ LYS 56 2HZ LYS 56 -6.941 -2.773 6.877 419 3HZ LYS 56 3HZ LYS 56 -8.198 -2.706 5.748 420 H ASP 57 H ASP 57 -5.236 3.304 6.388 421 HA ASP 57 HA ASP 57 -7.682 4.174 7.562 422 1HB ASP 57 1HB ASP 57 -5.647 3.050 8.698 423 2HB ASP 57 2HB ASP 57 -4.967 4.674 8.756 424 H SER 58 H SER 58 -4.723 5.836 6.535 425 HA SER 58 HA SER 58 -5.053 8.361 7.413 426 1HB SER 58 1HB SER 58 -3.210 7.660 5.932 427 2HB SER 58 2HB SER 58 -4.324 7.631 4.565 428 HG SER 58 HG SER 58 -4.164 9.978 6.064 429 H VAL 59 H VAL 59 -6.623 7.074 4.486 430 HA VAL 59 HA VAL 59 -8.184 9.429 4.060 431 HB VAL 59 HB VAL 59 -9.373 8.110 2.364 432 1HG1 VAL 59 1HG1 VAL 59 -7.058 9.139 2.019 433 2HG1 VAL 59 2HG1 VAL 59 -6.446 7.487 2.117 434 3HG1 VAL 59 3HG1 VAL 59 -7.593 7.931 0.852 435 1HG2 VAL 59 1HG2 VAL 59 -7.728 5.817 3.427 436 2HG2 VAL 59 2HG2 VAL 59 -9.484 5.971 3.475 437 3HG2 VAL 59 3HG2 VAL 59 -8.658 5.778 1.929 438 H THR 60 H THR 60 -10.446 9.661 4.274 439 HA THR 60 HA THR 60 -11.672 7.847 6.249 440 HB THR 60 HB THR 60 -11.208 9.971 7.320 441 HG1 THR 60 HG1 THR 60 -13.981 9.931 6.687 442 1HG2 THR 60 1HG2 THR 60 -12.951 11.770 6.037 443 2HG2 THR 60 2HG2 THR 60 -11.970 11.037 4.767 444 3HG2 THR 60 3HG2 THR 60 -11.192 11.850 6.124 445 H CYS 61 H CYS 61 -13.487 6.886 5.618 446 HA CYS 61 HA CYS 61 -15.419 8.195 3.949 447 1HB CYS 61 1HB CYS 61 -15.359 6.522 2.127 448 2HB CYS 61 2HB CYS 61 -13.880 7.471 2.210 449 HG CYS 61 HG CYS 61 -12.302 5.458 2.291 450 H SER 62 H SER 62 -17.402 7.449 4.397 451 HA SER 62 HA SER 62 -17.882 4.721 5.169 452 1HB SER 62 1HB SER 62 -18.857 5.315 7.395 453 2HB SER 62 2HB SER 62 -17.109 5.534 7.313 454 HG SER 62 HG SER 62 -17.839 7.379 8.208 455 HA PRO 63 HA PRO 63 -21.799 5.677 3.422 456 1HB PRO 63 1HB PRO 63 -23.307 3.722 4.551 457 2HB PRO 63 2HB PRO 63 -22.128 3.408 3.271 458 1HG PRO 63 1HG PRO 63 -21.855 3.040 6.229 459 2HG PRO 63 2HG PRO 63 -21.334 1.969 4.916 460 1HD PRO 63 1HD PRO 63 -19.624 3.616 6.219 461 2HD PRO 63 2HD PRO 63 -19.425 3.195 4.506 462 H GLY 64 H GLY 64 -24.259 5.620 4.295 463 1HA GLY 64 1HA GLY 64 -24.337 7.698 6.297 464 2HA GLY 64 2HA GLY 64 -25.708 7.050 5.408 465 H MET 65 H MET 65 -23.337 5.412 7.486 466 HA MET 65 HA MET 65 -25.451 4.002 8.840 467 1HB MET 65 1HB MET 65 -22.478 3.921 8.831 468 2HB MET 65 2HB MET 65 -23.296 3.312 10.263 469 1HG MET 65 1HG MET 65 -24.706 1.961 8.540 470 2HG MET 65 2HG MET 65 -23.341 2.275 7.471 471 1HE MET 65 1HE MET 65 -20.981 2.259 8.580 472 2HE MET 65 2HE MET 65 -20.386 0.900 9.534 473 3HE MET 65 3HE MET 65 -20.837 0.662 7.845 474 H VAL 66 H VAL 66 -26.620 5.615 9.912 475 HA VAL 66 HA VAL 66 -25.490 6.393 12.464 476 HB VAL 66 HB VAL 66 -26.055 8.762 12.246 477 1HG1 VAL 66 1HG1 VAL 66 -24.245 9.407 10.675 478 2HG1 VAL 66 2HG1 VAL 66 -23.773 8.136 11.805 479 3HG1 VAL 66 3HG1 VAL 66 -24.166 7.731 10.134 480 1HG2 VAL 66 1HG2 VAL 66 -26.311 9.493 9.722 481 2HG2 VAL 66 2HG2 VAL 66 -27.001 7.877 9.567 482 3HG2 VAL 66 3HG2 VAL 66 -27.712 9.035 10.691 483 H SER 67 H SER 67 -27.187 7.583 13.799 484 HA SER 67 HA SER 67 -29.718 6.172 13.453 485 1HB SER 67 1HB SER 67 -28.614 7.757 15.784 486 2HB SER 67 2HB SER 67 -30.175 6.937 15.782 487 HG SER 67 HG SER 67 -28.188 5.812 16.657 488 H GLY 68 H GLY 68 -31.695 7.491 14.287 489 1HA GLY 68 1HA GLY 68 -31.996 9.706 12.480 490 2HA GLY 68 2HA GLY 68 -33.226 9.065 13.560 491 HA PRO 69 HA PRO 69 -32.742 12.426 16.323 492 1HB PRO 69 1HB PRO 69 -32.810 11.259 18.774 493 2HB PRO 69 2HB PRO 69 -34.233 11.395 17.735 494 1HG PRO 69 1HG PRO 69 -32.416 9.055 18.159 495 2HG PRO 69 2HG PRO 69 -34.186 9.093 18.057 496 1HD PRO 69 1HD PRO 69 -32.622 8.344 15.977 497 2HD PRO 69 2HD PRO 69 -34.176 9.172 15.753 498 H SER 70 H SER 70 -31.060 13.643 16.908 499 HA SER 70 HA SER 70 -28.482 12.385 17.364 500 1HB SER 70 1HB SER 70 -29.222 15.315 17.167 501 2HB SER 70 2HB SER 70 -27.582 14.670 17.218 502 HG SER 70 HG SER 70 -27.858 14.737 15.113 503 H SER 71 H SER 71 -27.100 13.027 19.148 504 HA SER 71 HA SER 71 -28.250 12.657 21.641 505 1HB SER 71 1HB SER 71 -25.742 12.572 20.834 506 2HB SER 71 2HB SER 71 -25.715 14.235 21.420 507 HG SER 71 HG SER 71 -25.491 12.028 22.837 508 H GLY 72 H GLY 72 -28.057 14.226 23.521 509 1HA GLY 72 1HA GLY 72 -29.685 16.501 22.955 510 2HA GLY 72 2HA GLY 72 -29.000 16.077 24.517 Start of MODEL 16 1 1H GLY 1 1H GLY 1 26.941 -6.523 9.663 2 1HA GLY 1 1HA GLY 1 26.709 -9.311 8.981 3 2HA GLY 1 2HA GLY 1 26.856 -8.639 10.598 4 H SER 2 H SER 2 24.628 -9.424 8.006 5 HA SER 2 HA SER 2 22.300 -8.745 9.577 6 1HB SER 2 1HB SER 2 22.620 -10.085 6.884 7 2HB SER 2 2HB SER 2 21.057 -9.750 7.630 8 HG SER 2 HG SER 2 22.164 -7.488 7.778 9 H SER 3 H SER 3 21.657 -10.007 11.183 10 HA SER 3 HA SER 3 21.922 -12.927 10.868 11 1HB SER 3 1HB SER 3 21.866 -11.409 13.484 12 2HB SER 3 2HB SER 3 22.208 -13.124 13.254 13 HG SER 3 HG SER 3 23.962 -12.082 11.777 14 H GLY 4 H GLY 4 19.846 -12.990 9.849 15 1HA GLY 4 1HA GLY 4 17.600 -13.478 9.914 16 2HA GLY 4 2HA GLY 4 17.723 -13.488 11.667 17 H SER 5 H SER 5 18.376 -10.831 9.416 18 HA SER 5 HA SER 5 16.191 -9.331 10.708 19 1HB SER 5 1HB SER 5 17.477 -7.363 10.671 20 2HB SER 5 2HB SER 5 18.632 -8.606 11.152 21 HG SER 5 HG SER 5 19.549 -8.541 9.182 22 H SER 6 H SER 6 14.620 -8.643 9.417 23 HA SER 6 HA SER 6 14.836 -9.056 6.561 24 1HB SER 6 1HB SER 6 12.528 -8.031 8.233 25 2HB SER 6 2HB SER 6 12.443 -8.452 6.522 26 HG SER 6 HG SER 6 12.106 -10.417 7.150 27 H GLY 7 H GLY 7 16.641 -7.165 7.176 28 1HA GLY 7 1HA GLY 7 15.971 -4.514 7.321 29 2HA GLY 7 2HA GLY 7 17.341 -5.114 6.399 30 H ALA 8 H ALA 8 15.407 -2.885 5.919 31 HA ALA 8 HA ALA 8 15.110 -3.294 3.110 32 1HB ALA 8 1HB ALA 8 13.141 -4.540 4.066 33 2HB ALA 8 2HB ALA 8 12.529 -2.982 4.624 34 3HB ALA 8 3HB ALA 8 12.750 -3.276 2.899 35 HA PRO 9 HA PRO 9 15.477 1.090 3.287 36 1HB PRO 9 1HB PRO 9 14.648 1.695 0.774 37 2HB PRO 9 2HB PRO 9 16.221 0.965 1.117 38 1HG PRO 9 1HG PRO 9 13.691 -0.337 0.186 39 2HG PRO 9 2HG PRO 9 15.356 -0.611 -0.359 40 1HD PRO 9 1HD PRO 9 14.101 -2.266 1.378 41 2HD PRO 9 2HD PRO 9 15.851 -1.975 1.432 42 H GLU 10 H GLU 10 14.213 3.076 3.065 43 HA GLU 10 HA GLU 10 11.592 2.779 4.128 44 1HB GLU 10 1HB GLU 10 11.499 5.249 3.984 45 2HB GLU 10 2HB GLU 10 12.957 4.668 4.776 46 1HG GLU 10 1HG GLU 10 14.238 5.042 2.754 47 2HG GLU 10 2HG GLU 10 12.781 5.556 1.906 48 H TRP 11 H TRP 11 9.895 4.461 3.059 49 HA TRP 11 HA TRP 11 9.385 3.334 0.409 50 1HB TRP 11 1HB TRP 11 7.649 4.673 2.469 51 2HB TRP 11 2HB TRP 11 7.098 4.474 0.808 52 HD1 TRP 11 HD1 TRP 11 7.916 2.450 3.953 53 HE1 TRP 11 HE1 TRP 11 6.900 0.099 3.704 54 HE3 TRP 11 HE3 TRP 11 6.377 2.744 -0.913 55 HZ2 TRP 11 HZ2 TRP 11 5.616 -1.430 1.708 56 HZ3 TRP 11 HZ3 TRP 11 5.263 0.793 -1.917 57 HH2 TRP 11 HH2 TRP 11 4.892 -1.250 -0.632 58 H THR 12 H THR 12 9.393 4.506 -1.418 59 HA THR 12 HA THR 12 9.737 7.424 -1.174 60 HB THR 12 HB THR 12 11.162 7.376 -3.169 61 HG1 THR 12 HG1 THR 12 10.499 4.645 -3.078 62 1HG2 THR 12 1HG2 THR 12 12.424 5.322 -1.430 63 2HG2 THR 12 2HG2 THR 12 11.954 6.850 -0.686 64 3HG2 THR 12 3HG2 THR 12 13.078 6.840 -2.044 65 H GLU 13 H GLU 13 8.831 8.721 -2.815 66 HA GLU 13 HA GLU 13 6.316 8.365 -3.600 67 1HB GLU 13 1HB GLU 13 8.587 9.776 -4.898 68 2HB GLU 13 2HB GLU 13 7.117 9.588 -5.843 69 1HG GLU 13 1HG GLU 13 5.869 10.903 -4.418 70 2HG GLU 13 2HG GLU 13 6.969 10.659 -3.063 71 H GLU 14 H GLU 14 9.098 6.944 -5.226 72 HA GLU 14 HA GLU 14 7.736 5.912 -7.465 73 1HB GLU 14 1HB GLU 14 10.232 6.128 -7.198 74 2HB GLU 14 2HB GLU 14 10.178 4.719 -6.148 75 1HG GLU 14 1HG GLU 14 9.099 3.491 -8.078 76 2HG GLU 14 2HG GLU 14 9.544 4.873 -9.077 77 H ASP 15 H ASP 15 8.590 4.421 -4.353 78 HA ASP 15 HA ASP 15 7.272 1.955 -4.960 79 1HB ASP 15 1HB ASP 15 8.680 3.121 -2.621 80 2HB ASP 15 2HB ASP 15 7.513 1.845 -2.286 81 H LEU 16 H LEU 16 6.369 4.950 -3.411 82 HA LEU 16 HA LEU 16 3.939 3.923 -2.274 83 1HB LEU 16 1HB LEU 16 5.192 6.617 -2.553 84 2HB LEU 16 2HB LEU 16 3.484 6.498 -2.134 85 HG LEU 16 HG LEU 16 5.688 5.193 -0.545 86 1HD1 LEU 16 1HD1 LEU 16 4.832 7.191 1.030 87 2HD1 LEU 16 2HD1 LEU 16 4.668 7.960 -0.548 88 3HD1 LEU 16 3HD1 LEU 16 6.231 7.323 -0.036 89 1HD2 LEU 16 1HD2 LEU 16 3.772 5.396 1.199 90 2HD2 LEU 16 2HD2 LEU 16 3.738 4.090 0.013 91 3HD2 LEU 16 3HD2 LEU 16 2.735 5.523 -0.222 92 H SER 17 H SER 17 4.907 5.335 -5.291 93 HA SER 17 HA SER 17 2.194 5.910 -6.128 94 1HB SER 17 1HB SER 17 4.902 6.199 -7.400 95 2HB SER 17 2HB SER 17 3.438 6.335 -8.374 96 HG SER 17 HG SER 17 3.745 7.818 -5.996 97 H GLN 18 H GLN 18 4.603 3.413 -6.560 98 HA GLN 18 HA GLN 18 3.347 2.093 -8.738 99 1HB GLN 18 1HB GLN 18 5.431 1.304 -6.726 100 2HB GLN 18 2HB GLN 18 4.765 0.111 -7.833 101 1HG GLN 18 1HG GLN 18 5.782 2.662 -8.961 102 2HG GLN 18 2HG GLN 18 6.948 1.465 -8.401 103 1HE2 GLN 18 1HE2 GLN 18 4.104 1.844 -10.465 104 2HE2 GLN 18 2HE2 GLN 18 4.582 0.672 -11.641 105 H LEU 19 H LEU 19 3.223 1.656 -5.227 106 HA LEU 19 HA LEU 19 1.814 -0.671 -4.992 107 1HB LEU 19 1HB LEU 19 2.605 0.590 -3.080 108 2HB LEU 19 2HB LEU 19 1.439 1.869 -3.413 109 HG LEU 19 HG LEU 19 -0.390 0.283 -2.908 110 1HD1 LEU 19 1HD1 LEU 19 1.874 -1.580 -2.768 111 2HD1 LEU 19 2HD1 LEU 19 0.174 -1.877 -3.132 112 3HD1 LEU 19 3HD1 LEU 19 0.704 -1.725 -1.457 113 1HD2 LEU 19 1HD2 LEU 19 0.196 1.701 -1.135 114 2HD2 LEU 19 2HD2 LEU 19 1.711 0.847 -0.837 115 3HD2 LEU 19 3HD2 LEU 19 0.173 0.085 -0.428 116 H THR 20 H THR 20 0.425 2.569 -5.477 117 HA THR 20 HA THR 20 -2.261 1.875 -5.490 118 HB THR 20 HB THR 20 -0.975 4.008 -7.204 119 HG1 THR 20 HG1 THR 20 -2.088 4.318 -4.606 120 1HG2 THR 20 1HG2 THR 20 -3.608 3.148 -7.141 121 2HG2 THR 20 2HG2 THR 20 -3.033 4.705 -7.739 122 3HG2 THR 20 3HG2 THR 20 -3.597 4.552 -6.075 123 H ARG 21 H ARG 21 0.163 1.502 -7.977 124 HA ARG 21 HA ARG 21 -1.732 0.900 -10.059 125 1HB ARG 21 1HB ARG 21 1.250 0.410 -10.008 126 2HB ARG 21 2HB ARG 21 0.213 0.417 -11.429 127 1HG ARG 21 1HG ARG 21 0.284 2.862 -9.748 128 2HG ARG 21 2HG ARG 21 1.685 2.502 -10.759 129 1HD ARG 21 1HD ARG 21 0.199 3.913 -12.000 130 2HD ARG 21 2HD ARG 21 0.153 2.298 -12.706 131 HE ARG 21 HE ARG 21 -2.057 2.157 -12.139 132 1HH1 ARG 21 1HH1 ARG 21 -0.587 4.746 -10.334 133 2HH1 ARG 21 2HH1 ARG 21 -2.086 5.316 -9.679 134 1HH2 ARG 21 1HH2 ARG 21 -4.038 2.899 -11.284 135 2HH2 ARG 21 2HH2 ARG 21 -4.048 4.264 -10.220 136 H SER 22 H SER 22 0.472 -0.938 -7.985 137 HA SER 22 HA SER 22 -0.032 -3.466 -9.133 138 1HB SER 22 1HB SER 22 0.899 -4.358 -6.986 139 2HB SER 22 2HB SER 22 1.921 -3.139 -7.747 140 HG SER 22 HG SER 22 0.210 -2.843 -5.512 141 H MET 23 H MET 23 -1.412 -1.858 -6.278 142 HA MET 23 HA MET 23 -3.052 -3.777 -5.275 143 1HB MET 23 1HB MET 23 -3.580 -0.831 -5.639 144 2HB MET 23 2HB MET 23 -4.666 -1.883 -4.740 145 1HG MET 23 1HG MET 23 -2.782 -2.470 -3.245 146 2HG MET 23 2HG MET 23 -1.785 -1.298 -4.104 147 1HE MET 23 1HE MET 23 -3.592 -2.208 -1.414 148 2HE MET 23 2HE MET 23 -3.151 -0.808 -0.436 149 3HE MET 23 3HE MET 23 -4.817 -1.016 -0.977 150 H VAL 24 H VAL 24 -3.557 -1.901 -8.205 151 HA VAL 24 HA VAL 24 -6.228 -2.744 -8.675 152 HB VAL 24 HB VAL 24 -4.160 -1.726 -10.628 153 1HG1 VAL 24 1HG1 VAL 24 -7.123 -1.627 -11.045 154 2HG1 VAL 24 2HG1 VAL 24 -5.824 -1.491 -12.231 155 3HG1 VAL 24 3HG1 VAL 24 -6.197 -3.055 -11.504 156 1HG2 VAL 24 1HG2 VAL 24 -4.781 -0.208 -8.732 157 2HG2 VAL 24 2HG2 VAL 24 -5.138 0.429 -10.337 158 3HG2 VAL 24 3HG2 VAL 24 -6.436 -0.230 -9.341 159 H LYS 25 H LYS 25 -3.076 -3.915 -9.782 160 HA LYS 25 HA LYS 25 -4.091 -5.908 -11.521 161 1HB LYS 25 1HB LYS 25 -1.700 -4.886 -11.341 162 2HB LYS 25 2HB LYS 25 -1.436 -6.145 -10.142 163 1HG LYS 25 1HG LYS 25 -1.968 -7.852 -11.785 164 2HG LYS 25 2HG LYS 25 -2.298 -6.606 -12.991 165 1HD LYS 25 1HD LYS 25 0.057 -5.822 -12.716 166 2HD LYS 25 2HD LYS 25 0.345 -7.216 -11.672 167 1HE LYS 25 1HE LYS 25 -0.372 -8.683 -13.557 168 2HE LYS 25 2HE LYS 25 -0.454 -7.249 -14.579 169 1HZ LYS 25 1HZ LYS 25 1.934 -6.875 -14.004 170 2HZ LYS 25 2HZ LYS 25 1.641 -8.252 -14.942 171 3HZ LYS 25 3HZ LYS 25 1.949 -8.407 -13.286 172 H PHE 26 H PHE 26 -3.583 -5.767 -8.097 173 HA PHE 26 HA PHE 26 -4.593 -8.515 -7.874 174 1HB PHE 26 1HB PHE 26 -2.529 -7.497 -5.944 175 2HB PHE 26 2HB PHE 26 -2.997 -9.159 -6.289 176 HD1 PHE 26 HD1 PHE 26 -0.588 -6.665 -6.853 177 HD2 PHE 26 HD2 PHE 26 -2.495 -9.980 -8.720 178 HE1 PHE 26 HE1 PHE 26 1.299 -6.863 -8.421 179 HE2 PHE 26 HE2 PHE 26 -0.612 -10.184 -10.290 180 HZ PHE 26 HZ PHE 26 1.289 -8.625 -10.141 181 HA PRO 27 HA PRO 27 -7.185 -5.650 -5.381 182 1HB PRO 27 1HB PRO 27 -9.507 -6.949 -5.919 183 2HB PRO 27 2HB PRO 27 -8.822 -5.723 -6.992 184 1HG PRO 27 1HG PRO 27 -8.678 -8.707 -7.188 185 2HG PRO 27 2HG PRO 27 -8.973 -7.515 -8.467 186 1HD PRO 27 1HD PRO 27 -6.554 -8.668 -8.080 187 2HD PRO 27 2HD PRO 27 -6.735 -7.009 -8.685 188 H GLY 28 H GLY 28 -9.192 -6.551 -3.913 189 1HA GLY 28 1HA GLY 28 -7.905 -8.176 -1.938 190 2HA GLY 28 2HA GLY 28 -9.543 -7.545 -1.861 191 H GLY 29 H GLY 29 -8.575 -10.190 -1.117 192 1HA GLY 29 1HA GLY 29 -9.633 -12.262 -1.163 193 2HA GLY 29 2HA GLY 29 -10.569 -11.722 -2.550 194 H THR 30 H THR 30 -7.979 -10.878 -3.868 195 HA THR 30 HA THR 30 -7.600 -13.159 -5.450 196 HB THR 30 HB THR 30 -6.231 -10.541 -5.177 197 HG1 THR 30 HG1 THR 30 -7.037 -12.068 -7.447 198 1HG2 THR 30 1HG2 THR 30 -4.947 -12.923 -6.518 199 2HG2 THR 30 2HG2 THR 30 -4.300 -11.991 -5.168 200 3HG2 THR 30 3HG2 THR 30 -4.451 -11.249 -6.760 201 HA PRO 31 HA PRO 31 -4.907 -15.632 -2.976 202 1HB PRO 31 1HB PRO 31 -3.949 -17.239 -4.943 203 2HB PRO 31 2HB PRO 31 -5.583 -17.394 -4.287 204 1HG PRO 31 1HG PRO 31 -4.670 -16.045 -6.799 205 2HG PRO 31 2HG PRO 31 -6.077 -17.093 -6.539 206 1HD PRO 31 1HD PRO 31 -6.269 -14.394 -6.638 207 2HD PRO 31 2HD PRO 31 -7.334 -15.391 -5.626 208 H GLY 32 H GLY 32 -3.150 -14.584 -2.213 209 1HA GLY 32 1HA GLY 32 -0.841 -14.225 -2.147 210 2HA GLY 32 2HA GLY 32 -0.762 -14.567 -3.869 211 H ARG 33 H ARG 33 -3.060 -12.281 -2.598 212 HA ARG 33 HA ARG 33 -2.518 -10.234 -4.318 213 1HB ARG 33 1HB ARG 33 -4.456 -10.237 -2.837 214 2HB ARG 33 2HB ARG 33 -3.414 -9.999 -1.441 215 1HG ARG 33 1HG ARG 33 -2.681 -7.833 -2.539 216 2HG ARG 33 2HG ARG 33 -4.036 -8.064 -3.647 217 1HD ARG 33 1HD ARG 33 -5.468 -8.313 -1.538 218 2HD ARG 33 2HD ARG 33 -4.090 -7.630 -0.677 219 HE ARG 33 HE ARG 33 -4.950 -6.074 -2.941 220 1HH1 ARG 33 1HH1 ARG 33 -5.378 -6.684 0.459 221 2HH1 ARG 33 2HH1 ARG 33 -6.034 -5.115 0.791 222 1HH2 ARG 33 1HH2 ARG 33 -5.812 -4.005 -2.517 223 2HH2 ARG 33 2HH2 ARG 33 -6.281 -3.593 -0.903 224 H TRP 34 H TRP 34 -1.513 -9.976 -0.914 225 HA TRP 34 HA TRP 34 0.368 -7.966 -1.329 226 1HB TRP 34 1HB TRP 34 0.271 -10.069 0.843 227 2HB TRP 34 2HB TRP 34 1.283 -8.629 0.889 228 HD1 TRP 34 HD1 TRP 34 -1.757 -9.762 2.355 229 HE1 TRP 34 HE1 TRP 34 -3.350 -7.831 2.952 230 HE3 TRP 34 HE3 TRP 34 0.377 -6.056 -0.446 231 HZ2 TRP 34 HZ2 TRP 34 -3.661 -5.097 2.319 232 HZ3 TRP 34 HZ3 TRP 34 -0.629 -3.811 -0.395 233 HH2 TRP 34 HH2 TRP 34 -2.607 -3.344 0.959 234 H GLU 35 H GLU 35 0.633 -11.427 -1.676 235 HA GLU 35 HA GLU 35 3.461 -11.592 -1.691 236 1HB GLU 35 1HB GLU 35 1.209 -13.360 -2.483 237 2HB GLU 35 2HB GLU 35 2.784 -13.716 -3.179 238 1HG GLU 35 1HG GLU 35 3.749 -13.911 -0.966 239 2HG GLU 35 2HG GLU 35 2.204 -13.481 -0.235 240 H LYS 36 H LYS 36 1.071 -10.889 -4.151 241 HA LYS 36 HA LYS 36 2.971 -11.036 -6.320 242 1HB LYS 36 1HB LYS 36 0.140 -9.975 -6.248 243 2HB LYS 36 2HB LYS 36 1.099 -10.209 -7.703 244 1HG LYS 36 1HG LYS 36 0.793 -12.445 -7.712 245 2HG LYS 36 2HG LYS 36 0.791 -12.563 -5.950 246 1HD LYS 36 1HD LYS 36 -1.453 -12.122 -5.789 247 2HD LYS 36 2HD LYS 36 -1.485 -11.179 -7.281 248 1HE LYS 36 1HE LYS 36 -1.022 -14.150 -7.259 249 2HE LYS 36 2HE LYS 36 -2.639 -13.449 -7.317 250 1HZ LYS 36 1HZ LYS 36 -2.411 -12.978 -9.464 251 2HZ LYS 36 2HZ LYS 36 -1.037 -13.965 -9.460 252 3HZ LYS 36 3HZ LYS 36 -0.878 -12.293 -9.252 253 H ILE 37 H ILE 37 1.246 -8.476 -4.569 254 HA ILE 37 HA ILE 37 2.214 -6.293 -6.020 255 HB ILE 37 HB ILE 37 1.410 -6.471 -3.117 256 1HG1 ILE 37 1HG1 ILE 37 -0.091 -5.320 -5.473 257 2HG1 ILE 37 2HG1 ILE 37 -0.306 -6.971 -4.901 258 1HG2 ILE 37 1HG2 ILE 37 2.649 -4.312 -4.586 259 2HG2 ILE 37 2HG2 ILE 37 1.060 -3.854 -3.977 260 3HG2 ILE 37 3HG2 ILE 37 2.293 -4.445 -2.864 261 1HD1 ILE 37 1HD1 ILE 37 -1.768 -6.276 -3.403 262 2HD1 ILE 37 2HD1 ILE 37 -0.567 -5.197 -2.693 263 3HD1 ILE 37 3HD1 ILE 37 -1.590 -4.631 -4.013 264 H ALA 38 H ALA 38 3.595 -8.035 -3.280 265 HA ALA 38 HA ALA 38 5.731 -6.269 -2.764 266 1HB ALA 38 1HB ALA 38 6.453 -7.810 -1.243 267 2HB ALA 38 2HB ALA 38 4.782 -8.343 -1.431 268 3HB ALA 38 3HB ALA 38 6.077 -9.182 -2.286 269 H HIS 39 H HIS 39 5.539 -9.211 -4.751 270 HA HIS 39 HA HIS 39 8.219 -9.255 -5.572 271 1HB HIS 39 1HB HIS 39 6.284 -11.007 -5.865 272 2HB HIS 39 2HB HIS 39 6.033 -10.181 -7.400 273 HD1 HIS 39 HD1 HIS 39 6.980 -13.137 -7.228 274 HD2 HIS 39 HD2 HIS 39 9.493 -9.861 -7.690 275 HE1 HIS 39 HE1 HIS 39 9.076 -14.041 -8.285 276 H GLU 40 H GLU 40 5.498 -7.379 -6.660 277 HA GLU 40 HA GLU 40 6.770 -6.518 -9.101 278 1HB GLU 40 1HB GLU 40 4.244 -5.687 -7.680 279 2HB GLU 40 2HB GLU 40 4.811 -4.888 -9.140 280 1HG GLU 40 1HG GLU 40 4.281 -7.841 -8.973 281 2HG GLU 40 2HG GLU 40 3.073 -6.660 -9.475 282 H LEU 41 H LEU 41 5.889 -4.963 -6.020 283 HA LEU 41 HA LEU 41 7.162 -2.503 -6.613 284 1HB LEU 41 1HB LEU 41 6.408 -3.731 -3.966 285 2HB LEU 41 2HB LEU 41 6.932 -2.063 -4.189 286 HG LEU 41 HG LEU 41 4.396 -3.322 -5.225 287 1HD1 LEU 41 1HD1 LEU 41 4.005 -0.966 -3.695 288 2HD1 LEU 41 2HD1 LEU 41 5.062 -2.043 -2.784 289 3HD1 LEU 41 3HD1 LEU 41 3.487 -2.613 -3.335 290 1HD2 LEU 41 1HD2 LEU 41 3.909 -0.927 -5.921 291 2HD2 LEU 41 2HD2 LEU 41 5.055 -1.825 -6.915 292 3HD2 LEU 41 3HD2 LEU 41 5.640 -0.637 -5.749 293 H GLY 42 H GLY 42 8.284 -5.528 -5.329 294 1HA GLY 42 1HA GLY 42 10.546 -6.184 -5.304 295 2HA GLY 42 2HA GLY 42 11.015 -4.491 -5.364 296 H ARG 43 H ARG 43 8.592 -5.374 -3.087 297 HA ARG 43 HA ARG 43 10.592 -5.226 -0.927 298 1HB ARG 43 1HB ARG 43 7.794 -4.112 -1.075 299 2HB ARG 43 2HB ARG 43 8.653 -4.304 0.448 300 1HG ARG 43 1HG ARG 43 10.378 -2.788 -0.282 301 2HG ARG 43 2HG ARG 43 9.636 -2.666 -1.878 302 1HD ARG 43 1HD ARG 43 7.571 -1.797 -0.707 303 2HD ARG 43 2HD ARG 43 8.556 -1.677 0.750 304 HE ARG 43 HE ARG 43 8.545 0.123 -1.445 305 1HH1 ARG 43 1HH1 ARG 43 10.629 -1.326 0.938 306 2HH1 ARG 43 2HH1 ARG 43 11.759 -0.012 0.939 307 1HH2 ARG 43 1HH2 ARG 43 10.026 1.859 -1.453 308 2HH2 ARG 43 2HH2 ARG 43 11.414 1.799 -0.421 309 H SER 44 H SER 44 9.268 -5.975 1.229 310 HA SER 44 HA SER 44 8.648 -8.771 0.684 311 1HB SER 44 1HB SER 44 9.529 -7.220 3.073 312 2HB SER 44 2HB SER 44 8.604 -8.696 3.348 313 HG SER 44 HG SER 44 11.160 -8.516 2.843 314 H VAL 45 H VAL 45 6.744 -9.778 1.250 315 HA VAL 45 HA VAL 45 4.345 -8.668 0.853 316 HB VAL 45 HB VAL 45 5.022 -10.823 2.847 317 1HG1 VAL 45 1HG1 VAL 45 2.272 -10.053 1.878 318 2HG1 VAL 45 2HG1 VAL 45 2.674 -11.381 2.969 319 3HG1 VAL 45 3HG1 VAL 45 2.910 -9.711 3.486 320 1HG2 VAL 45 1HG2 VAL 45 5.466 -11.649 0.730 321 2HG2 VAL 45 2HG2 VAL 45 3.796 -12.157 0.986 322 3HG2 VAL 45 3HG2 VAL 45 4.145 -10.747 -0.012 323 H THR 46 H THR 46 5.259 -9.309 4.231 324 HA THR 46 HA THR 46 3.411 -7.688 5.448 325 HB THR 46 HB THR 46 4.706 -9.158 6.808 326 HG1 THR 46 HG1 THR 46 5.680 -6.629 7.611 327 1HG2 THR 46 1HG2 THR 46 6.872 -9.498 6.418 328 2HG2 THR 46 2HG2 THR 46 7.228 -7.877 7.016 329 3HG2 THR 46 3HG2 THR 46 6.898 -8.132 5.303 330 H ASP 47 H ASP 47 6.510 -6.780 4.061 331 HA ASP 47 HA ASP 47 6.729 -4.196 5.104 332 1HB ASP 47 1HB ASP 47 8.370 -5.639 3.633 333 2HB ASP 47 2HB ASP 47 7.610 -4.771 2.302 334 H VAL 48 H VAL 48 4.990 -5.409 2.286 335 HA VAL 48 HA VAL 48 4.203 -2.804 1.376 336 HB VAL 48 HB VAL 48 2.654 -5.207 0.561 337 1HG1 VAL 48 1HG1 VAL 48 2.047 -3.758 -1.007 338 2HG1 VAL 48 2HG1 VAL 48 3.216 -2.575 -0.417 339 3HG1 VAL 48 3HG1 VAL 48 3.701 -3.771 -1.619 340 1HG2 VAL 48 1HG2 VAL 48 4.731 -6.276 0.567 341 2HG2 VAL 48 2HG2 VAL 48 4.560 -5.697 -1.090 342 3HG2 VAL 48 3HG2 VAL 48 5.585 -4.823 0.049 343 H THR 49 H THR 49 2.226 -5.548 2.516 344 HA THR 49 HA THR 49 -0.151 -4.243 2.893 345 HB THR 49 HB THR 49 -0.397 -6.491 3.254 346 HG1 THR 49 HG1 THR 49 -0.017 -6.028 5.986 347 1HG2 THR 49 1HG2 THR 49 2.210 -6.293 4.704 348 2HG2 THR 49 2HG2 THR 49 1.750 -7.343 3.364 349 3HG2 THR 49 3HG2 THR 49 1.157 -7.677 4.990 350 H THR 50 H THR 50 2.559 -4.453 5.165 351 HA THR 50 HA THR 50 1.326 -3.153 7.328 352 HB THR 50 HB THR 50 4.251 -3.289 6.574 353 HG1 THR 50 HG1 THR 50 2.720 -4.762 8.479 354 1HG2 THR 50 1HG2 THR 50 4.446 -1.642 8.110 355 2HG2 THR 50 2HG2 THR 50 4.223 -2.959 9.262 356 3HG2 THR 50 3HG2 THR 50 2.852 -1.952 8.797 357 H LYS 51 H LYS 51 2.676 -1.942 4.382 358 HA LYS 51 HA LYS 51 2.864 0.786 5.351 359 1HB LYS 51 1HB LYS 51 4.549 0.206 3.794 360 2HB LYS 51 2HB LYS 51 3.391 -0.526 2.691 361 1HG LYS 51 1HG LYS 51 4.287 1.667 1.940 362 2HG LYS 51 2HG LYS 51 2.528 1.605 2.063 363 1HD LYS 51 1HD LYS 51 3.059 3.646 3.048 364 2HD LYS 51 2HD LYS 51 2.882 2.565 4.432 365 1HE LYS 51 1HE LYS 51 5.396 2.212 4.278 366 2HE LYS 51 2HE LYS 51 5.415 3.583 3.169 367 1HZ LYS 51 1HZ LYS 51 5.768 4.649 5.129 368 2HZ LYS 51 2HZ LYS 51 4.897 3.528 6.047 369 3HZ LYS 51 3HZ LYS 51 4.076 4.683 5.124 370 H ALA 52 H ALA 52 0.843 -1.102 3.140 371 HA ALA 52 HA ALA 52 -0.783 1.023 2.259 372 1HB ALA 52 1HB ALA 52 -2.442 -1.054 1.984 373 2HB ALA 52 2HB ALA 52 -1.090 -0.755 0.891 374 3HB ALA 52 3HB ALA 52 -0.925 -1.929 2.196 375 H LYS 53 H LYS 53 -1.185 -1.309 4.904 376 HA LYS 53 HA LYS 53 -3.708 -0.692 5.777 377 1HB LYS 53 1HB LYS 53 -2.957 -1.371 8.031 378 2HB LYS 53 2HB LYS 53 -2.400 -2.474 6.779 379 1HG LYS 53 1HG LYS 53 -0.484 -2.265 7.978 380 2HG LYS 53 2HG LYS 53 -0.266 -0.921 6.854 381 1HD LYS 53 1HD LYS 53 -0.641 0.661 8.459 382 2HD LYS 53 2HD LYS 53 -1.713 -0.384 9.393 383 1HE LYS 53 1HE LYS 53 0.232 -1.696 10.123 384 2HE LYS 53 2HE LYS 53 1.290 -0.619 9.214 385 1HZ LYS 53 1HZ LYS 53 0.187 -0.278 11.808 386 2HZ LYS 53 2HZ LYS 53 -0.239 1.020 10.810 387 3HZ LYS 53 3HZ LYS 53 1.391 0.623 11.032 388 H GLN 54 H GLN 54 -0.767 1.162 6.190 389 HA GLN 54 HA GLN 54 -1.797 2.973 8.127 390 1HB GLN 54 1HB GLN 54 0.521 3.222 6.205 391 2HB GLN 54 2HB GLN 54 0.165 4.380 7.479 392 1HG GLN 54 1HG GLN 54 0.337 2.417 9.088 393 2HG GLN 54 2HG GLN 54 1.058 1.532 7.745 394 1HE2 GLN 54 1HE2 GLN 54 3.055 2.238 6.907 395 2HE2 GLN 54 2HE2 GLN 54 4.123 3.218 7.846 396 H LEU 55 H LEU 55 -1.585 3.003 4.602 397 HA LEU 55 HA LEU 55 -2.416 5.644 4.174 398 1HB LEU 55 1HB LEU 55 -2.950 3.253 2.419 399 2HB LEU 55 2HB LEU 55 -2.961 4.943 1.922 400 HG LEU 55 HG LEU 55 -0.471 3.687 3.020 401 1HD1 LEU 55 1HD1 LEU 55 -0.675 3.797 0.108 402 2HD1 LEU 55 2HD1 LEU 55 -1.739 2.608 0.857 403 3HD1 LEU 55 3HD1 LEU 55 -0.002 2.548 1.155 404 1HD2 LEU 55 1HD2 LEU 55 -1.072 6.247 2.362 405 2HD2 LEU 55 2HD2 LEU 55 -0.412 5.654 0.838 406 3HD2 LEU 55 3HD2 LEU 55 0.551 5.560 2.313 407 H LYS 56 H LYS 56 -4.264 2.656 4.559 408 HA LYS 56 HA LYS 56 -6.788 3.437 3.864 409 1HB LYS 56 1HB LYS 56 -5.937 1.733 6.210 410 2HB LYS 56 2HB LYS 56 -7.599 1.870 5.652 411 1HG LYS 56 1HG LYS 56 -5.394 0.992 3.821 412 2HG LYS 56 2HG LYS 56 -6.245 -0.143 4.872 413 1HD LYS 56 1HD LYS 56 -8.389 0.672 3.852 414 2HD LYS 56 2HD LYS 56 -7.416 1.576 2.690 415 1HE LYS 56 1HE LYS 56 -7.747 -0.341 1.498 416 2HE LYS 56 2HE LYS 56 -6.272 -0.784 2.356 417 1HZ LYS 56 1HZ LYS 56 -9.006 -1.744 2.741 418 2HZ LYS 56 2HZ LYS 56 -8.020 -1.627 4.110 419 3HZ LYS 56 3HZ LYS 56 -7.544 -2.593 2.805 420 H ASP 57 H ASP 57 -5.149 4.056 6.946 421 HA ASP 57 HA ASP 57 -7.356 5.415 8.127 422 1HB ASP 57 1HB ASP 57 -5.701 4.424 9.565 423 2HB ASP 57 2HB ASP 57 -4.415 5.367 8.817 424 H SER 58 H SER 58 -4.280 6.570 6.748 425 HA SER 58 HA SER 58 -4.552 9.265 7.060 426 1HB SER 58 1HB SER 58 -2.544 8.449 6.082 427 2HB SER 58 2HB SER 58 -3.413 7.700 4.743 428 HG SER 58 HG SER 58 -2.308 9.997 4.660 429 H VAL 59 H VAL 59 -5.571 7.547 4.101 430 HA VAL 59 HA VAL 59 -6.927 9.656 2.913 431 HB VAL 59 HB VAL 59 -8.158 7.971 1.613 432 1HG1 VAL 59 1HG1 VAL 59 -5.369 6.926 1.893 433 2HG1 VAL 59 2HG1 VAL 59 -6.325 7.186 0.433 434 3HG1 VAL 59 3HG1 VAL 59 -5.652 8.564 1.305 435 1HG2 VAL 59 1HG2 VAL 59 -7.102 6.138 3.733 436 2HG2 VAL 59 2HG2 VAL 59 -8.742 6.280 3.099 437 3HG2 VAL 59 3HG2 VAL 59 -7.480 5.531 2.120 438 H THR 60 H THR 60 -9.413 9.446 2.429 439 HA THR 60 HA THR 60 -10.761 9.392 5.045 440 HB THR 60 HB THR 60 -12.440 10.899 4.043 441 HG1 THR 60 HG1 THR 60 -11.651 10.087 1.792 442 1HG2 THR 60 1HG2 THR 60 -10.702 12.826 3.556 443 2HG2 THR 60 2HG2 THR 60 -9.555 11.636 4.171 444 3HG2 THR 60 3HG2 THR 60 -10.900 12.168 5.179 445 H CYS 61 H CYS 61 -11.189 7.138 4.959 446 HA CYS 61 HA CYS 61 -13.184 6.350 2.942 447 1HB CYS 61 1HB CYS 61 -11.017 4.839 4.340 448 2HB CYS 61 2HB CYS 61 -12.471 3.975 3.856 449 HG CYS 61 HG CYS 61 -12.137 4.144 1.216 450 H SER 62 H SER 62 -12.279 5.717 6.333 451 HA SER 62 HA SER 62 -15.153 5.594 6.970 452 1HB SER 62 1HB SER 62 -14.573 3.902 8.721 453 2HB SER 62 2HB SER 62 -14.296 3.335 7.074 454 HG SER 62 HG SER 62 -12.045 4.213 7.532 455 HA PRO 63 HA PRO 63 -13.159 8.906 9.502 456 1HB PRO 63 1HB PRO 63 -15.234 10.641 9.261 457 2HB PRO 63 2HB PRO 63 -13.937 10.522 8.066 458 1HG PRO 63 1HG PRO 63 -16.683 9.333 8.005 459 2HG PRO 63 2HG PRO 63 -15.781 10.130 6.704 460 1HD PRO 63 1HD PRO 63 -15.971 7.437 6.906 461 2HD PRO 63 2HD PRO 63 -14.537 8.246 6.240 462 H GLY 64 H GLY 64 -13.790 9.732 11.566 463 1HA GLY 64 1HA GLY 64 -15.791 8.029 12.878 464 2HA GLY 64 2HA GLY 64 -14.495 8.900 13.685 465 H MET 65 H MET 65 -15.609 10.103 15.129 466 HA MET 65 HA MET 65 -17.820 11.759 14.128 467 1HB MET 65 1HB MET 65 -17.110 10.668 16.820 468 2HB MET 65 2HB MET 65 -18.061 12.144 16.722 469 1HG MET 65 1HG MET 65 -18.833 9.620 15.294 470 2HG MET 65 2HG MET 65 -19.340 9.981 16.942 471 1HE MET 65 1HE MET 65 -22.578 10.582 15.965 472 2HE MET 65 2HE MET 65 -22.066 9.961 14.396 473 3HE MET 65 3HE MET 65 -21.393 9.279 15.878 474 H VAL 66 H VAL 66 -17.594 13.896 13.941 475 HA VAL 66 HA VAL 66 -15.149 15.123 15.031 476 HB VAL 66 HB VAL 66 -15.385 16.842 13.310 477 1HG1 VAL 66 1HG1 VAL 66 -14.206 14.619 12.911 478 2HG1 VAL 66 2HG1 VAL 66 -15.618 14.173 11.950 479 3HG1 VAL 66 3HG1 VAL 66 -14.637 15.565 11.486 480 1HG2 VAL 66 1HG2 VAL 66 -17.877 15.314 12.626 481 2HG2 VAL 66 2HG2 VAL 66 -17.696 17.037 12.956 482 3HG2 VAL 66 3HG2 VAL 66 -17.072 16.357 11.453 483 H SER 67 H SER 67 -17.363 14.770 16.716 484 HA SER 67 HA SER 67 -18.994 17.101 16.825 485 1HB SER 67 1HB SER 67 -19.534 14.839 17.843 486 2HB SER 67 2HB SER 67 -18.390 15.236 19.124 487 HG SER 67 HG SER 67 -20.326 17.141 18.536 488 H GLY 68 H GLY 68 -16.064 16.072 18.538 489 1HA GLY 68 1HA GLY 68 -14.505 17.271 19.720 490 2HA GLY 68 2HA GLY 68 -15.061 18.680 18.829 491 HA PRO 69 HA PRO 69 -16.017 19.571 23.215 492 1HB PRO 69 1HB PRO 69 -15.592 22.242 22.980 493 2HB PRO 69 2HB PRO 69 -14.288 21.084 23.266 494 1HG PRO 69 1HG PRO 69 -15.157 22.362 20.703 495 2HG PRO 69 2HG PRO 69 -13.516 22.089 21.317 496 1HD PRO 69 1HD PRO 69 -14.660 20.487 19.458 497 2HD PRO 69 2HD PRO 69 -13.501 19.881 20.657 498 H SER 70 H SER 70 -17.393 21.655 23.966 499 HA SER 70 HA SER 70 -19.523 22.273 22.090 500 1HB SER 70 1HB SER 70 -19.967 20.048 23.456 501 2HB SER 70 2HB SER 70 -20.419 21.184 24.727 502 HG SER 70 HG SER 70 -21.671 22.143 22.766 503 H SER 71 H SER 71 -20.018 24.344 22.314 504 HA SER 71 HA SER 71 -19.188 25.758 24.723 505 1HB SER 71 1HB SER 71 -19.844 26.533 21.924 506 2HB SER 71 2HB SER 71 -20.133 27.733 23.184 507 HG SER 71 HG SER 71 -18.064 28.035 23.309 508 H GLY 72 H GLY 72 -20.551 26.236 26.309 509 1HA GLY 72 1HA GLY 72 -23.419 25.869 25.869 510 2HA GLY 72 2HA GLY 72 -22.616 25.994 27.427 Start of MODEL 17 1 1H GLY 1 1H GLY 1 23.928 6.053 -3.669 2 1HA GLY 1 1HA GLY 1 22.304 3.927 -3.586 3 2HA GLY 1 2HA GLY 1 23.796 3.891 -4.514 4 H SER 2 H SER 2 22.058 2.458 -2.029 5 HA SER 2 HA SER 2 24.211 0.611 -1.493 6 1HB SER 2 1HB SER 2 23.179 2.498 0.613 7 2HB SER 2 2HB SER 2 23.844 0.924 1.048 8 HG SER 2 HG SER 2 25.642 1.788 -0.482 9 H SER 3 H SER 3 23.396 -1.371 -1.321 10 HA SER 3 HA SER 3 20.513 -1.686 -1.091 11 1HB SER 3 1HB SER 3 21.841 -2.887 -2.851 12 2HB SER 3 2HB SER 3 22.605 -3.821 -1.565 13 HG SER 3 HG SER 3 20.721 -4.808 -2.588 14 H GLY 4 H GLY 4 19.459 -2.581 0.600 15 1HA GLY 4 1HA GLY 4 20.803 -2.754 3.110 16 2HA GLY 4 2HA GLY 4 19.118 -3.148 2.805 17 H SER 5 H SER 5 21.325 -4.498 4.359 18 HA SER 5 HA SER 5 21.353 -7.087 2.968 19 1HB SER 5 1HB SER 5 23.083 -6.013 5.206 20 2HB SER 5 2HB SER 5 23.155 -7.676 4.621 21 HG SER 5 HG SER 5 24.708 -6.235 3.645 22 H SER 6 H SER 6 20.848 -5.664 6.188 23 HA SER 6 HA SER 6 19.293 -8.053 6.921 24 1HB SER 6 1HB SER 6 19.704 -7.423 9.261 25 2HB SER 6 2HB SER 6 21.221 -7.610 8.382 26 HG SER 6 HG SER 6 19.909 -5.141 8.879 27 H GLY 7 H GLY 7 19.307 -4.514 7.015 28 1HA GLY 7 1HA GLY 7 16.526 -4.485 7.908 29 2HA GLY 7 2HA GLY 7 17.577 -3.087 7.737 30 H ALA 8 H ALA 8 14.809 -3.993 6.674 31 HA ALA 8 HA ALA 8 15.033 -4.102 3.850 32 1HB ALA 8 1HB ALA 8 12.733 -4.128 3.800 33 2HB ALA 8 2HB ALA 8 13.051 -4.734 5.426 34 3HB ALA 8 3HB ALA 8 12.582 -3.050 5.188 35 HA PRO 9 HA PRO 9 15.691 0.107 2.768 36 1HB PRO 9 1HB PRO 9 14.488 0.166 0.335 37 2HB PRO 9 2HB PRO 9 16.034 -0.642 0.623 38 1HG PRO 9 1HG PRO 9 13.285 -1.817 0.455 39 2HG PRO 9 2HG PRO 9 14.803 -2.417 -0.238 40 1HD PRO 9 1HD PRO 9 13.743 -3.425 2.041 41 2HD PRO 9 2HD PRO 9 15.493 -3.344 1.756 42 H GLU 10 H GLU 10 14.644 2.121 2.527 43 HA GLU 10 HA GLU 10 12.082 2.276 3.783 44 1HB GLU 10 1HB GLU 10 12.351 4.649 3.685 45 2HB GLU 10 2HB GLU 10 13.922 3.957 4.066 46 1HG GLU 10 1HG GLU 10 14.688 4.290 1.829 47 2HG GLU 10 2HG GLU 10 13.079 4.777 1.299 48 H TRP 11 H TRP 11 10.575 4.101 2.668 49 HA TRP 11 HA TRP 11 9.822 2.916 0.094 50 1HB TRP 11 1HB TRP 11 8.297 4.415 2.206 51 2HB TRP 11 2HB TRP 11 7.658 4.263 0.572 52 HD1 TRP 11 HD1 TRP 11 8.372 2.210 3.712 53 HE1 TRP 11 HE1 TRP 11 7.168 -0.056 3.509 54 HE3 TRP 11 HE3 TRP 11 6.800 2.557 -1.141 55 HZ2 TRP 11 HZ2 TRP 11 5.742 -1.506 1.551 56 HZ3 TRP 11 HZ3 TRP 11 5.523 0.687 -2.103 57 HH2 TRP 11 HH2 TRP 11 5.006 -1.302 -0.783 58 H THR 12 H THR 12 9.870 4.040 -1.758 59 HA THR 12 HA THR 12 10.459 6.925 -1.597 60 HB THR 12 HB THR 12 11.795 6.736 -3.621 61 HG1 THR 12 HG1 THR 12 11.699 3.928 -3.519 62 1HG2 THR 12 1HG2 THR 12 12.787 4.535 -1.841 63 2HG2 THR 12 2HG2 THR 12 12.722 6.201 -1.265 64 3HG2 THR 12 3HG2 THR 12 13.703 5.792 -2.672 65 H GLU 13 H GLU 13 9.589 8.267 -3.224 66 HA GLU 13 HA GLU 13 7.010 8.112 -3.872 67 1HB GLU 13 1HB GLU 13 9.323 9.325 -5.284 68 2HB GLU 13 2HB GLU 13 7.811 9.230 -6.177 69 1HG GLU 13 1HG GLU 13 6.722 10.674 -4.759 70 2HG GLU 13 2HG GLU 13 7.810 10.342 -3.413 71 H GLU 14 H GLU 14 9.590 6.613 -5.790 72 HA GLU 14 HA GLU 14 8.005 5.614 -7.863 73 1HB GLU 14 1HB GLU 14 10.488 5.679 -7.872 74 2HB GLU 14 2HB GLU 14 10.501 4.363 -6.707 75 1HG GLU 14 1HG GLU 14 10.819 3.213 -8.650 76 2HG GLU 14 2HG GLU 14 9.063 3.142 -8.515 77 H ASP 15 H ASP 15 8.929 4.142 -4.772 78 HA ASP 15 HA ASP 15 7.499 1.713 -5.272 79 1HB ASP 15 1HB ASP 15 9.054 2.871 -3.029 80 2HB ASP 15 2HB ASP 15 7.835 1.675 -2.599 81 H LEU 16 H LEU 16 6.770 4.781 -3.781 82 HA LEU 16 HA LEU 16 4.343 3.877 -2.529 83 1HB LEU 16 1HB LEU 16 5.700 6.507 -2.904 84 2HB LEU 16 2HB LEU 16 4.003 6.474 -2.432 85 HG LEU 16 HG LEU 16 6.208 5.122 -0.883 86 1HD1 LEU 16 1HD1 LEU 16 6.811 7.243 -0.414 87 2HD1 LEU 16 2HD1 LEU 16 5.433 7.163 0.683 88 3HD1 LEU 16 3HD1 LEU 16 5.253 7.911 -0.904 89 1HD2 LEU 16 1HD2 LEU 16 4.183 4.085 -0.340 90 2HD2 LEU 16 2HD2 LEU 16 3.282 5.599 -0.413 91 3HD2 LEU 16 3HD2 LEU 16 4.401 5.302 0.918 92 H SER 17 H SER 17 5.262 5.194 -5.605 93 HA SER 17 HA SER 17 2.541 5.851 -6.358 94 1HB SER 17 1HB SER 17 4.837 6.960 -7.123 95 2HB SER 17 2HB SER 17 4.736 5.722 -8.375 96 HG SER 17 HG SER 17 3.576 7.279 -9.267 97 H GLN 18 H GLN 18 4.870 3.287 -6.863 98 HA GLN 18 HA GLN 18 3.490 1.979 -8.970 99 1HB GLN 18 1HB GLN 18 5.643 1.167 -7.046 100 2HB GLN 18 2HB GLN 18 4.894 -0.031 -8.093 101 1HG GLN 18 1HG GLN 18 5.970 2.485 -9.274 102 2HG GLN 18 2HG GLN 18 7.074 1.185 -8.825 103 1HE2 GLN 18 1HE2 GLN 18 5.761 -1.050 -9.479 104 2HE2 GLN 18 2HE2 GLN 18 5.432 -1.103 -11.174 105 H LEU 19 H LEU 19 3.459 1.635 -5.455 106 HA LEU 19 HA LEU 19 2.031 -0.672 -5.115 107 1HB LEU 19 1HB LEU 19 2.895 0.635 -3.264 108 2HB LEU 19 2HB LEU 19 1.731 1.915 -3.597 109 HG LEU 19 HG LEU 19 -0.097 0.409 -2.964 110 1HD1 LEU 19 1HD1 LEU 19 0.651 -1.741 -3.482 111 2HD1 LEU 19 2HD1 LEU 19 0.626 -1.707 -1.720 112 3HD1 LEU 19 3HD1 LEU 19 2.154 -1.535 -2.582 113 1HD2 LEU 19 1HD2 LEU 19 0.672 1.794 -1.223 114 2HD2 LEU 19 2HD2 LEU 19 2.133 0.833 -0.994 115 3HD2 LEU 19 3HD2 LEU 19 0.564 0.178 -0.524 116 H THR 20 H THR 20 0.558 2.572 -5.336 117 HA THR 20 HA THR 20 -2.087 1.902 -5.355 118 HB THR 20 HB THR 20 -0.877 3.999 -7.165 119 HG1 THR 20 HG1 THR 20 -1.393 5.346 -5.242 120 1HG2 THR 20 1HG2 THR 20 -3.388 4.650 -5.895 121 2HG2 THR 20 2HG2 THR 20 -3.525 3.171 -6.846 122 3HG2 THR 20 3HG2 THR 20 -2.962 4.659 -7.605 123 H ARG 21 H ARG 21 0.206 1.606 -8.000 124 HA ARG 21 HA ARG 21 -1.762 0.965 -9.976 125 1HB ARG 21 1HB ARG 21 1.213 0.427 -10.020 126 2HB ARG 21 2HB ARG 21 0.130 0.421 -11.405 127 1HG ARG 21 1HG ARG 21 -0.347 2.889 -10.604 128 2HG ARG 21 2HG ARG 21 1.252 2.706 -9.881 129 1HD ARG 21 1HD ARG 21 1.503 3.659 -12.069 130 2HD ARG 21 2HD ARG 21 2.115 2.006 -12.100 131 HE ARG 21 HE ARG 21 -0.636 2.288 -12.923 132 1HH1 ARG 21 1HH1 ARG 21 2.698 2.255 -13.923 133 2HH1 ARG 21 2HH1 ARG 21 2.336 1.846 -15.568 134 1HH2 ARG 21 1HH2 ARG 21 -1.125 1.750 -15.085 135 2HH2 ARG 21 2HH2 ARG 21 0.161 1.560 -16.228 136 H SER 22 H SER 22 0.548 -0.922 -8.051 137 HA SER 22 HA SER 22 -0.062 -3.436 -9.136 138 1HB SER 22 1HB SER 22 0.857 -4.302 -6.923 139 2HB SER 22 2HB SER 22 1.926 -3.244 -7.842 140 HG SER 22 HG SER 22 0.273 -2.455 -5.672 141 H MET 23 H MET 23 -1.376 -1.752 -6.300 142 HA MET 23 HA MET 23 -3.001 -3.650 -5.215 143 1HB MET 23 1HB MET 23 -3.557 -0.711 -5.628 144 2HB MET 23 2HB MET 23 -4.563 -1.753 -4.630 145 1HG MET 23 1HG MET 23 -2.534 -2.277 -3.273 146 2HG MET 23 2HG MET 23 -1.674 -1.046 -4.196 147 1HE MET 23 1HE MET 23 -3.058 -0.973 -0.508 148 2HE MET 23 2HE MET 23 -4.745 -0.757 -0.972 149 3HE MET 23 3HE MET 23 -3.822 -2.120 -1.608 150 H VAL 24 H VAL 24 -3.542 -1.827 -8.170 151 HA VAL 24 HA VAL 24 -6.236 -2.646 -8.563 152 HB VAL 24 HB VAL 24 -4.204 -1.669 -10.574 153 1HG1 VAL 24 1HG1 VAL 24 -7.194 -1.671 -10.884 154 2HG1 VAL 24 2HG1 VAL 24 -5.966 -1.350 -12.110 155 3HG1 VAL 24 3HG1 VAL 24 -6.176 -2.983 -11.476 156 1HG2 VAL 24 1HG2 VAL 24 -6.468 -0.088 -9.403 157 2HG2 VAL 24 2HG2 VAL 24 -4.898 -0.174 -8.604 158 3HG2 VAL 24 3HG2 VAL 24 -5.024 0.493 -10.232 159 H LYS 25 H LYS 25 -3.117 -3.866 -9.707 160 HA LYS 25 HA LYS 25 -4.181 -5.868 -11.407 161 1HB LYS 25 1HB LYS 25 -1.783 -4.880 -11.300 162 2HB LYS 25 2HB LYS 25 -1.507 -6.092 -10.056 163 1HG LYS 25 1HG LYS 25 -2.076 -7.859 -11.624 164 2HG LYS 25 2HG LYS 25 -2.412 -6.658 -12.873 165 1HD LYS 25 1HD LYS 25 -0.130 -5.990 -12.958 166 2HD LYS 25 2HD LYS 25 0.261 -6.914 -11.506 167 1HE LYS 25 1HE LYS 25 0.044 -8.969 -12.632 168 2HE LYS 25 2HE LYS 25 -0.789 -8.227 -13.996 169 1HZ LYS 25 1HZ LYS 25 1.639 -6.952 -13.850 170 2HZ LYS 25 2HZ LYS 25 1.180 -8.123 -14.980 171 3HZ LYS 25 3HZ LYS 25 2.000 -8.581 -13.573 172 H PHE 26 H PHE 26 -3.628 -5.690 -7.993 173 HA PHE 26 HA PHE 26 -4.663 -8.423 -7.722 174 1HB PHE 26 1HB PHE 26 -2.546 -7.385 -5.855 175 2HB PHE 26 2HB PHE 26 -3.063 -9.047 -6.117 176 HD1 PHE 26 HD1 PHE 26 -0.603 -6.648 -6.838 177 HD2 PHE 26 HD2 PHE 26 -2.646 -9.978 -8.527 178 HE1 PHE 26 HE1 PHE 26 1.238 -6.961 -8.439 179 HE2 PHE 26 HE2 PHE 26 -0.807 -10.298 -10.130 180 HZ PHE 26 HZ PHE 26 1.139 -8.789 -10.087 181 HA PRO 27 HA PRO 27 -7.193 -5.497 -5.234 182 1HB PRO 27 1HB PRO 27 -9.537 -6.775 -5.729 183 2HB PRO 27 2HB PRO 27 -8.849 -5.571 -6.825 184 1HG PRO 27 1HG PRO 27 -8.742 -8.558 -6.986 185 2HG PRO 27 2HG PRO 27 -9.039 -7.378 -8.276 186 1HD PRO 27 1HD PRO 27 -6.629 -8.555 -7.904 187 2HD PRO 27 2HD PRO 27 -6.798 -6.901 -8.527 188 H GLY 28 H GLY 28 -9.107 -6.270 -3.660 189 1HA GLY 28 1HA GLY 28 -7.839 -7.936 -1.722 190 2HA GLY 28 2HA GLY 28 -9.453 -7.251 -1.605 191 H GLY 29 H GLY 29 -8.521 -9.926 -0.876 192 1HA GLY 29 1HA GLY 29 -9.659 -11.959 -0.859 193 2HA GLY 29 2HA GLY 29 -10.616 -11.406 -2.225 194 H THR 30 H THR 30 -7.938 -10.662 -3.533 195 HA THR 30 HA THR 30 -7.701 -12.995 -5.111 196 HB THR 30 HB THR 30 -6.287 -10.390 -4.964 197 HG1 THR 30 HG1 THR 30 -7.528 -10.247 -6.665 198 1HG2 THR 30 1HG2 THR 30 -4.403 -11.941 -4.985 199 2HG2 THR 30 2HG2 THR 30 -4.556 -11.132 -6.545 200 3HG2 THR 30 3HG2 THR 30 -5.107 -12.797 -6.356 201 HA PRO 31 HA PRO 31 -4.949 -15.424 -2.660 202 1HB PRO 31 1HB PRO 31 -4.075 -17.099 -4.610 203 2HB PRO 31 2HB PRO 31 -5.687 -17.216 -3.894 204 1HG PRO 31 1HG PRO 31 -4.848 -15.952 -6.475 205 2HG PRO 31 2HG PRO 31 -6.255 -16.975 -6.137 206 1HD PRO 31 1HD PRO 31 -6.423 -14.278 -6.309 207 2HD PRO 31 2HD PRO 31 -7.463 -15.233 -5.232 208 H GLY 32 H GLY 32 -3.120 -14.474 -1.973 209 1HA GLY 32 1HA GLY 32 -0.815 -14.122 -2.007 210 2HA GLY 32 2HA GLY 32 -0.809 -14.487 -3.726 211 H ARG 33 H ARG 33 -3.031 -12.153 -2.419 212 HA ARG 33 HA ARG 33 -2.482 -10.137 -4.186 213 1HB ARG 33 1HB ARG 33 -4.419 -10.117 -2.693 214 2HB ARG 33 2HB ARG 33 -3.367 -9.841 -1.311 215 1HG ARG 33 1HG ARG 33 -2.639 -7.710 -2.510 216 2HG ARG 33 2HG ARG 33 -4.041 -7.968 -3.551 217 1HD ARG 33 1HD ARG 33 -5.406 -8.121 -1.412 218 2HD ARG 33 2HD ARG 33 -3.983 -7.491 -0.583 219 HE ARG 33 HE ARG 33 -4.793 -5.888 -2.819 220 1HH1 ARG 33 1HH1 ARG 33 -5.318 -6.536 0.561 221 2HH1 ARG 33 2HH1 ARG 33 -5.942 -4.955 0.901 222 1HH2 ARG 33 1HH2 ARG 33 -5.612 -3.804 -2.384 223 2HH2 ARG 33 2HH2 ARG 33 -6.109 -3.403 -0.775 224 H TRP 34 H TRP 34 -1.463 -9.870 -0.785 225 HA TRP 34 HA TRP 34 0.437 -7.875 -1.232 226 1HB TRP 34 1HB TRP 34 0.324 -9.935 0.982 227 2HB TRP 34 2HB TRP 34 1.325 -8.486 1.003 228 HD1 TRP 34 HD1 TRP 34 -1.665 -9.591 2.540 229 HE1 TRP 34 HE1 TRP 34 -3.294 -7.670 3.066 230 HE3 TRP 34 HE3 TRP 34 0.339 -5.980 -0.473 231 HZ2 TRP 34 HZ2 TRP 34 -3.679 -4.979 2.305 232 HZ3 TRP 34 HZ3 TRP 34 -0.720 -3.759 -0.516 233 HH2 TRP 34 HH2 TRP 34 -2.687 -3.271 0.845 234 H GLU 35 H GLU 35 0.630 -11.319 -1.615 235 HA GLU 35 HA GLU 35 3.468 -11.530 -1.582 236 1HB GLU 35 1HB GLU 35 1.194 -13.286 -2.339 237 2HB GLU 35 2HB GLU 35 2.764 -13.673 -3.030 238 1HG GLU 35 1HG GLU 35 3.700 -13.692 -0.725 239 2HG GLU 35 2HG GLU 35 2.060 -13.489 -0.112 240 H LYS 36 H LYS 36 1.085 -10.830 -4.048 241 HA LYS 36 HA LYS 36 2.991 -11.035 -6.212 242 1HB LYS 36 1HB LYS 36 0.150 -9.998 -6.160 243 2HB LYS 36 2HB LYS 36 1.115 -10.222 -7.613 244 1HG LYS 36 1HG LYS 36 0.850 -12.465 -7.612 245 2HG LYS 36 2HG LYS 36 0.831 -12.573 -5.850 246 1HD LYS 36 1HD LYS 36 -1.419 -12.195 -5.716 247 2HD LYS 36 2HD LYS 36 -1.452 -11.215 -7.184 248 1HE LYS 36 1HE LYS 36 -0.805 -13.541 -8.288 249 2HE LYS 36 2HE LYS 36 -1.618 -14.162 -6.852 250 1HZ LYS 36 1HZ LYS 36 -3.544 -12.758 -7.453 251 2HZ LYS 36 2HZ LYS 36 -3.204 -13.948 -8.606 252 3HZ LYS 36 3HZ LYS 36 -2.765 -12.340 -8.896 253 H ILE 37 H ILE 37 1.262 -8.447 -4.508 254 HA ILE 37 HA ILE 37 2.222 -6.289 -6.003 255 HB ILE 37 HB ILE 37 1.416 -6.415 -3.098 256 1HG1 ILE 37 1HG1 ILE 37 -0.087 -5.302 -5.470 257 2HG1 ILE 37 2HG1 ILE 37 -0.292 -6.949 -4.884 258 1HG2 ILE 37 1HG2 ILE 37 2.626 -4.268 -4.629 259 2HG2 ILE 37 2HG2 ILE 37 1.055 -3.817 -3.969 260 3HG2 ILE 37 3HG2 ILE 37 2.329 -4.392 -2.895 261 1HD1 ILE 37 1HD1 ILE 37 -1.968 -6.030 -3.714 262 2HD1 ILE 37 2HD1 ILE 37 -0.676 -5.574 -2.603 263 3HD1 ILE 37 3HD1 ILE 37 -1.273 -4.411 -3.785 264 H ALA 38 H ALA 38 3.627 -8.017 -3.276 265 HA ALA 38 HA ALA 38 5.754 -6.222 -2.778 266 1HB ALA 38 1HB ALA 38 6.461 -7.719 -1.217 267 2HB ALA 38 2HB ALA 38 4.804 -8.290 -1.419 268 3HB ALA 38 3HB ALA 38 6.128 -9.116 -2.241 269 H HIS 39 H HIS 39 5.599 -9.242 -4.657 270 HA HIS 39 HA HIS 39 8.267 -9.271 -5.500 271 1HB HIS 39 1HB HIS 39 7.026 -11.260 -5.803 272 2HB HIS 39 2HB HIS 39 5.748 -10.426 -6.681 273 HD1 HIS 39 HD1 HIS 39 8.444 -12.623 -7.279 274 HD2 HIS 39 HD2 HIS 39 6.959 -9.278 -9.244 275 HE1 HIS 39 HE1 HIS 39 9.324 -12.778 -9.630 276 H GLU 40 H GLU 40 5.530 -7.445 -6.616 277 HA GLU 40 HA GLU 40 6.755 -6.663 -9.105 278 1HB GLU 40 1HB GLU 40 4.267 -5.765 -7.656 279 2HB GLU 40 2HB GLU 40 4.805 -5.028 -9.159 280 1HG GLU 40 1HG GLU 40 4.204 -7.957 -8.830 281 2HG GLU 40 2HG GLU 40 3.057 -6.765 -9.439 282 H LEU 41 H LEU 41 5.990 -5.038 -6.033 283 HA LEU 41 HA LEU 41 7.287 -2.606 -6.752 284 1HB LEU 41 1HB LEU 41 6.506 -3.680 -4.046 285 2HB LEU 41 2HB LEU 41 7.031 -2.029 -4.371 286 HG LEU 41 HG LEU 41 4.505 -3.340 -5.372 287 1HD1 LEU 41 1HD1 LEU 41 3.981 -1.000 -3.928 288 2HD1 LEU 41 2HD1 LEU 41 5.160 -1.902 -2.977 289 3HD1 LEU 41 3HD1 LEU 41 3.640 -2.662 -3.447 290 1HD2 LEU 41 1HD2 LEU 41 5.168 -1.874 -7.084 291 2HD2 LEU 41 2HD2 LEU 41 5.745 -0.663 -5.940 292 3HD2 LEU 41 3HD2 LEU 41 4.014 -0.956 -6.116 293 H GLY 42 H GLY 42 8.367 -5.619 -5.487 294 1HA GLY 42 1HA GLY 42 10.606 -6.304 -5.379 295 2HA GLY 42 2HA GLY 42 11.103 -4.621 -5.466 296 H ARG 43 H ARG 43 8.643 -5.394 -3.197 297 HA ARG 43 HA ARG 43 10.625 -5.251 -1.020 298 1HB ARG 43 1HB ARG 43 7.766 -4.278 -0.923 299 2HB ARG 43 2HB ARG 43 8.996 -4.071 0.317 300 1HG ARG 43 1HG ARG 43 10.307 -2.742 -1.384 301 2HG ARG 43 2HG ARG 43 8.853 -2.767 -2.383 302 1HD ARG 43 1HD ARG 43 7.598 -1.630 -0.674 303 2HD ARG 43 2HD ARG 43 8.953 -1.738 0.448 304 HE ARG 43 HE ARG 43 8.576 0.208 -1.609 305 1HH1 ARG 43 1HH1 ARG 43 10.977 -1.540 0.209 306 2HH1 ARG 43 2HH1 ARG 43 12.199 -0.329 0.009 307 1HH2 ARG 43 1HH2 ARG 43 10.177 1.810 -1.880 308 2HH2 ARG 43 2HH2 ARG 43 11.743 1.577 -1.179 309 H SER 44 H SER 44 9.230 -5.915 1.136 310 HA SER 44 HA SER 44 8.604 -8.720 0.656 311 1HB SER 44 1HB SER 44 9.230 -7.105 3.117 312 2HB SER 44 2HB SER 44 8.540 -8.723 3.245 313 HG SER 44 HG SER 44 10.331 -9.469 1.995 314 H VAL 45 H VAL 45 6.740 -9.731 1.634 315 HA VAL 45 HA VAL 45 4.322 -8.596 0.974 316 HB VAL 45 HB VAL 45 4.989 -10.750 2.966 317 1HG1 VAL 45 1HG1 VAL 45 2.228 -9.871 2.124 318 2HG1 VAL 45 2HG1 VAL 45 2.615 -11.272 3.125 319 3HG1 VAL 45 3HG1 VAL 45 2.938 -9.644 3.722 320 1HG2 VAL 45 1HG2 VAL 45 4.834 -12.141 1.230 321 2HG2 VAL 45 2HG2 VAL 45 3.317 -11.419 0.690 322 3HG2 VAL 45 3HG2 VAL 45 4.855 -10.708 0.201 323 H THR 46 H THR 46 5.147 -9.210 4.378 324 HA THR 46 HA THR 46 3.301 -7.571 5.550 325 HB THR 46 HB THR 46 4.739 -9.087 6.836 326 HG1 THR 46 HG1 THR 46 4.418 -6.395 7.519 327 1HG2 THR 46 1HG2 THR 46 6.884 -7.035 6.281 328 2HG2 THR 46 2HG2 THR 46 6.867 -8.720 5.759 329 3HG2 THR 46 3HG2 THR 46 7.020 -8.328 7.472 330 H ASP 47 H ASP 47 6.418 -6.662 4.194 331 HA ASP 47 HA ASP 47 6.611 -4.063 5.188 332 1HB ASP 47 1HB ASP 47 7.725 -5.522 2.852 333 2HB ASP 47 2HB ASP 47 7.799 -3.763 2.801 334 H VAL 48 H VAL 48 5.006 -5.277 2.271 335 HA VAL 48 HA VAL 48 4.176 -2.713 1.352 336 HB VAL 48 HB VAL 48 2.611 -5.120 0.588 337 1HG1 VAL 48 1HG1 VAL 48 2.039 -3.723 -1.038 338 2HG1 VAL 48 2HG1 VAL 48 3.186 -2.521 -0.444 339 3HG1 VAL 48 3HG1 VAL 48 3.707 -3.736 -1.612 340 1HG2 VAL 48 1HG2 VAL 48 4.698 -5.412 -1.088 341 2HG2 VAL 48 2HG2 VAL 48 5.547 -4.920 0.378 342 3HG2 VAL 48 3HG2 VAL 48 4.503 -6.342 0.398 343 H THR 49 H THR 49 2.187 -5.417 2.561 344 HA THR 49 HA THR 49 -0.188 -4.102 2.894 345 HB THR 49 HB THR 49 -0.428 -6.339 3.331 346 HG1 THR 49 HG1 THR 49 -0.060 -5.701 6.044 347 1HG2 THR 49 1HG2 THR 49 2.184 -6.073 4.746 348 2HG2 THR 49 2HG2 THR 49 1.690 -7.218 3.499 349 3HG2 THR 49 3HG2 THR 49 1.129 -7.424 5.158 350 H THR 50 H THR 50 2.536 -4.201 5.151 351 HA THR 50 HA THR 50 1.297 -2.841 7.277 352 HB THR 50 HB THR 50 4.217 -3.010 6.515 353 HG1 THR 50 HG1 THR 50 2.752 -4.886 7.310 354 1HG2 THR 50 1HG2 THR 50 4.208 -2.531 9.182 355 2HG2 THR 50 2HG2 THR 50 2.845 -1.538 8.666 356 3HG2 THR 50 3HG2 THR 50 4.439 -1.285 7.956 357 H LYS 51 H LYS 51 2.687 -1.724 4.301 358 HA LYS 51 HA LYS 51 2.809 1.040 5.176 359 1HB LYS 51 1HB LYS 51 4.551 0.402 3.692 360 2HB LYS 51 2HB LYS 51 3.421 -0.342 2.568 361 1HG LYS 51 1HG LYS 51 4.275 1.772 1.714 362 2HG LYS 51 2HG LYS 51 2.532 1.843 1.984 363 1HD LYS 51 1HD LYS 51 3.230 3.846 2.896 364 2HD LYS 51 2HD LYS 51 3.214 2.796 4.314 365 1HE LYS 51 1HE LYS 51 5.591 2.476 4.169 366 2HE LYS 51 2HE LYS 51 5.658 3.346 2.637 367 1HZ LYS 51 1HZ LYS 51 6.034 4.422 5.112 368 2HZ LYS 51 2HZ LYS 51 4.458 4.895 4.720 369 3HZ LYS 51 3HZ LYS 51 5.739 5.288 3.688 370 H ALA 52 H ALA 52 0.934 -0.920 2.887 371 HA ALA 52 HA ALA 52 -0.710 1.144 1.924 372 1HB ALA 52 1HB ALA 52 -2.110 -1.368 2.006 373 2HB ALA 52 2HB ALA 52 -1.480 -0.479 0.618 374 3HB ALA 52 3HB ALA 52 -0.440 -1.604 1.490 375 H LYS 53 H LYS 53 -1.078 -1.060 4.666 376 HA LYS 53 HA LYS 53 -3.683 -0.493 5.404 377 1HB LYS 53 1HB LYS 53 -2.952 -1.079 7.726 378 2HB LYS 53 2HB LYS 53 -2.486 -2.254 6.502 379 1HG LYS 53 1HG LYS 53 -0.530 -2.116 7.639 380 2HG LYS 53 2HG LYS 53 -0.270 -0.808 6.483 381 1HD LYS 53 1HD LYS 53 0.307 0.192 8.488 382 2HD LYS 53 2HD LYS 53 -1.381 0.674 8.306 383 1HE LYS 53 1HE LYS 53 -1.159 -0.034 10.543 384 2HE LYS 53 2HE LYS 53 -1.965 -1.359 9.703 385 1HZ LYS 53 1HZ LYS 53 0.296 -2.379 9.463 386 2HZ LYS 53 2HZ LYS 53 -0.297 -2.314 11.045 387 3HZ LYS 53 3HZ LYS 53 0.875 -1.206 10.536 388 H GLN 54 H GLN 54 -0.759 1.371 5.934 389 HA GLN 54 HA GLN 54 -1.893 3.208 7.788 390 1HB GLN 54 1HB GLN 54 0.487 3.609 5.969 391 2HB GLN 54 2HB GLN 54 0.108 4.536 7.414 392 1HG GLN 54 1HG GLN 54 0.344 2.430 8.732 393 2HG GLN 54 2HG GLN 54 0.922 1.646 7.262 394 1HE2 GLN 54 1HE2 GLN 54 3.028 1.394 7.371 395 2HE2 GLN 54 2HE2 GLN 54 4.169 2.561 7.941 396 H LEU 55 H LEU 55 -1.994 2.895 4.361 397 HA LEU 55 HA LEU 55 -2.712 5.652 3.874 398 1HB LEU 55 1HB LEU 55 -2.931 3.302 2.004 399 2HB LEU 55 2HB LEU 55 -2.935 5.011 1.572 400 HG LEU 55 HG LEU 55 -0.560 3.648 2.824 401 1HD1 LEU 55 1HD1 LEU 55 0.044 2.755 0.883 402 2HD1 LEU 55 2HD1 LEU 55 -0.301 4.248 0.010 403 3HD1 LEU 55 3HD1 LEU 55 -1.591 3.083 0.308 404 1HD2 LEU 55 1HD2 LEU 55 -0.579 6.059 3.026 405 2HD2 LEU 55 2HD2 LEU 55 -0.905 6.229 1.300 406 3HD2 LEU 55 3HD2 LEU 55 0.637 5.567 1.846 407 H LYS 56 H LYS 56 -4.330 2.541 4.156 408 HA LYS 56 HA LYS 56 -6.892 3.474 3.328 409 1HB LYS 56 1HB LYS 56 -7.698 1.342 3.905 410 2HB LYS 56 2HB LYS 56 -6.045 1.059 3.377 411 1HG LYS 56 1HG LYS 56 -5.288 0.687 5.554 412 2HG LYS 56 2HG LYS 56 -6.716 1.434 6.274 413 1HD LYS 56 1HD LYS 56 -8.096 -0.409 5.578 414 2HD LYS 56 2HD LYS 56 -6.761 -1.119 4.667 415 1HE LYS 56 1HE LYS 56 -5.514 -1.239 6.874 416 2HE LYS 56 2HE LYS 56 -7.050 -0.856 7.651 417 1HZ LYS 56 1HZ LYS 56 -7.258 -2.994 5.750 418 2HZ LYS 56 2HZ LYS 56 -7.779 -2.925 7.358 419 3HZ LYS 56 3HZ LYS 56 -6.179 -3.345 7.005 420 H ASP 57 H ASP 57 -5.123 3.587 6.284 421 HA ASP 57 HA ASP 57 -7.440 4.018 7.955 422 1HB ASP 57 1HB ASP 57 -5.072 3.011 8.568 423 2HB ASP 57 2HB ASP 57 -4.674 4.704 8.853 424 H SER 58 H SER 58 -4.700 5.992 6.827 425 HA SER 58 HA SER 58 -5.573 8.411 7.963 426 1HB SER 58 1HB SER 58 -3.664 7.687 5.771 427 2HB SER 58 2HB SER 58 -4.110 9.377 6.000 428 HG SER 58 HG SER 58 -2.505 7.762 7.526 429 H VAL 59 H VAL 59 -7.588 9.122 7.582 430 HA VAL 59 HA VAL 59 -8.257 9.899 4.859 431 HB VAL 59 HB VAL 59 -10.153 8.213 6.499 432 1HG1 VAL 59 1HG1 VAL 59 -10.843 8.505 3.732 433 2HG1 VAL 59 2HG1 VAL 59 -11.780 8.926 5.167 434 3HG1 VAL 59 3HG1 VAL 59 -10.653 10.093 4.475 435 1HG2 VAL 59 1HG2 VAL 59 -8.632 6.663 5.698 436 2HG2 VAL 59 2HG2 VAL 59 -9.847 6.686 4.420 437 3HG2 VAL 59 3HG2 VAL 59 -8.334 7.568 4.213 438 H THR 60 H THR 60 -9.423 11.749 4.763 439 HA THR 60 HA THR 60 -10.468 12.825 7.301 440 HB THR 60 HB THR 60 -8.454 14.046 6.775 441 HG1 THR 60 HG1 THR 60 -10.738 15.582 6.029 442 1HG2 THR 60 1HG2 THR 60 -9.081 15.428 4.403 443 2HG2 THR 60 2HG2 THR 60 -9.356 13.717 4.072 444 3HG2 THR 60 3HG2 THR 60 -7.785 14.261 4.662 445 H CYS 61 H CYS 61 -12.612 12.875 7.169 446 HA CYS 61 HA CYS 61 -13.862 14.179 4.889 447 1HB CYS 61 1HB CYS 61 -13.729 11.543 4.671 448 2HB CYS 61 2HB CYS 61 -15.108 11.609 5.762 449 HG CYS 61 HG CYS 61 -15.885 13.758 3.553 450 H SER 62 H SER 62 -16.060 14.833 5.298 451 HA SER 62 HA SER 62 -16.436 15.740 7.968 452 1HB SER 62 1HB SER 62 -17.250 17.147 6.226 453 2HB SER 62 2HB SER 62 -18.181 15.834 5.505 454 HG SER 62 HG SER 62 -19.699 16.062 6.998 455 HA PRO 63 HA PRO 63 -18.617 12.321 9.689 456 1HB PRO 63 1HB PRO 63 -19.854 13.613 11.731 457 2HB PRO 63 2HB PRO 63 -18.126 13.240 11.736 458 1HG PRO 63 1HG PRO 63 -19.508 15.808 11.061 459 2HG PRO 63 2HG PRO 63 -18.045 15.545 12.028 460 1HD PRO 63 1HD PRO 63 -17.959 16.359 9.447 461 2HD PRO 63 2HD PRO 63 -16.702 15.333 10.167 462 H GLY 64 H GLY 64 -20.974 12.028 10.717 463 1HA GLY 64 1HA GLY 64 -23.221 13.348 10.070 464 2HA GLY 64 2HA GLY 64 -22.791 12.614 8.531 465 H MET 65 H MET 65 -24.885 12.236 10.863 466 HA MET 65 HA MET 65 -24.561 9.349 11.221 467 1HB MET 65 1HB MET 65 -25.125 10.973 13.134 468 2HB MET 65 2HB MET 65 -26.735 11.043 12.432 469 1HG MET 65 1HG MET 65 -27.010 9.404 13.998 470 2HG MET 65 2HG MET 65 -26.602 8.445 12.577 471 1HE MET 65 1HE MET 65 -23.129 8.217 12.544 472 2HE MET 65 2HE MET 65 -23.632 6.652 13.183 473 3HE MET 65 3HE MET 65 -24.645 7.492 12.007 474 H VAL 66 H VAL 66 -25.431 8.097 9.712 475 HA VAL 66 HA VAL 66 -27.500 9.015 7.954 476 HB VAL 66 HB VAL 66 -25.788 7.489 7.131 477 1HG1 VAL 66 1HG1 VAL 66 -26.903 5.124 8.488 478 2HG1 VAL 66 2HG1 VAL 66 -25.234 5.513 8.068 479 3HG1 VAL 66 3HG1 VAL 66 -25.971 6.221 9.506 480 1HG2 VAL 66 1HG2 VAL 66 -27.583 5.570 6.480 481 2HG2 VAL 66 2HG2 VAL 66 -28.660 6.863 7.008 482 3HG2 VAL 66 3HG2 VAL 66 -27.504 7.155 5.709 483 H SER 67 H SER 67 -27.316 6.825 10.711 484 HA SER 67 HA SER 67 -30.119 6.109 10.474 485 1HB SER 67 1HB SER 67 -28.111 4.624 11.318 486 2HB SER 67 2HB SER 67 -28.456 5.403 12.862 487 HG SER 67 HG SER 67 -30.529 4.580 12.791 488 H GLY 68 H GLY 68 -31.672 6.488 12.144 489 1HA GLY 68 1HA GLY 68 -31.301 8.030 14.427 490 2HA GLY 68 2HA GLY 68 -31.645 9.151 13.118 491 HA PRO 69 HA PRO 69 -35.527 6.306 13.863 492 1HB PRO 69 1HB PRO 69 -35.682 5.294 16.378 493 2HB PRO 69 2HB PRO 69 -34.930 4.423 15.036 494 1HG PRO 69 1HG PRO 69 -33.643 6.027 17.211 495 2HG PRO 69 2HG PRO 69 -33.157 4.459 16.540 496 1HD PRO 69 1HD PRO 69 -31.962 6.781 15.827 497 2HD PRO 69 2HD PRO 69 -32.141 5.416 14.706 498 H SER 70 H SER 70 -34.054 8.610 15.911 499 HA SER 70 HA SER 70 -36.703 9.595 16.752 500 1HB SER 70 1HB SER 70 -35.428 8.836 18.690 501 2HB SER 70 2HB SER 70 -34.060 9.842 18.211 502 HG SER 70 HG SER 70 -34.984 11.437 19.196 503 H SER 71 H SER 71 -36.614 10.675 14.617 504 HA SER 71 HA SER 71 -34.710 12.624 13.959 505 1HB SER 71 1HB SER 71 -36.390 13.472 12.376 506 2HB SER 71 2HB SER 71 -36.309 11.711 12.328 507 HG SER 71 HG SER 71 -38.101 12.077 14.069 508 H GLY 72 H GLY 72 -34.237 14.454 14.968 509 1HA GLY 72 1HA GLY 72 -35.778 15.526 17.077 510 2HA GLY 72 2HA GLY 72 -34.425 16.324 16.287 Start of MODEL 18 1 1H GLY 1 1H GLY 1 28.633 -16.714 9.414 2 1HA GLY 1 1HA GLY 1 30.922 -15.113 9.734 3 2HA GLY 1 2HA GLY 1 31.345 -16.492 8.730 4 H SER 2 H SER 2 28.330 -14.625 8.883 5 HA SER 2 HA SER 2 28.664 -14.053 6.013 6 1HB SER 2 1HB SER 2 26.146 -14.349 7.666 7 2HB SER 2 2HB SER 2 26.169 -13.822 5.983 8 HG SER 2 HG SER 2 25.829 -16.012 5.981 9 H SER 3 H SER 3 27.491 -12.028 5.295 10 HA SER 3 HA SER 3 28.216 -9.862 7.129 11 1HB SER 3 1HB SER 3 28.000 -10.113 4.164 12 2HB SER 3 2HB SER 3 27.721 -8.527 4.883 13 HG SER 3 HG SER 3 30.054 -9.994 4.666 14 H GLY 4 H GLY 4 26.633 -9.065 8.338 15 1HA GLY 4 1HA GLY 4 23.874 -9.478 7.766 16 2HA GLY 4 2HA GLY 4 24.527 -8.467 9.047 17 H SER 5 H SER 5 22.334 -7.524 7.936 18 HA SER 5 HA SER 5 23.264 -5.145 6.568 19 1HB SER 5 1HB SER 5 21.488 -7.185 5.267 20 2HB SER 5 2HB SER 5 21.302 -5.477 4.870 21 HG SER 5 HG SER 5 23.104 -7.189 3.943 22 H SER 6 H SER 6 21.992 -3.380 6.949 23 HA SER 6 HA SER 6 20.460 -3.172 9.178 24 1HB SER 6 1HB SER 6 20.122 -1.612 6.606 25 2HB SER 6 2HB SER 6 19.443 -1.136 8.163 26 HG SER 6 HG SER 6 22.200 -1.473 7.569 27 H GLY 7 H GLY 7 19.168 -3.657 5.888 28 1HA GLY 7 1HA GLY 7 17.379 -5.558 6.088 29 2HA GLY 7 2HA GLY 7 16.563 -4.335 7.052 30 H ALA 8 H ALA 8 14.854 -4.567 5.442 31 HA ALA 8 HA ALA 8 15.183 -3.929 2.728 32 1HB ALA 8 1HB ALA 8 13.037 -4.486 2.657 33 2HB ALA 8 2HB ALA 8 13.057 -4.639 4.414 34 3HB ALA 8 3HB ALA 8 12.600 -3.108 3.667 35 HA PRO 9 HA PRO 9 15.803 0.429 2.753 36 1HB PRO 9 1HB PRO 9 14.899 1.010 0.260 37 2HB PRO 9 2HB PRO 9 16.441 0.200 0.558 38 1HG PRO 9 1HG PRO 9 13.802 -0.978 -0.223 39 2HG PRO 9 2HG PRO 9 15.422 -1.364 -0.830 40 1HD PRO 9 1HD PRO 9 14.154 -2.893 1.009 41 2HD PRO 9 2HD PRO 9 15.919 -2.703 0.979 42 H GLU 10 H GLU 10 14.659 2.465 2.614 43 HA GLU 10 HA GLU 10 12.060 2.339 3.749 44 1HB GLU 10 1HB GLU 10 12.157 4.704 3.880 45 2HB GLU 10 2HB GLU 10 13.798 4.135 4.151 46 1HG GLU 10 1HG GLU 10 13.013 4.833 1.378 47 2HG GLU 10 2HG GLU 10 13.255 6.146 2.529 48 H TRP 11 H TRP 11 10.434 4.117 2.729 49 HA TRP 11 HA TRP 11 9.791 3.037 0.086 50 1HB TRP 11 1HB TRP 11 8.173 4.391 2.228 51 2HB TRP 11 2HB TRP 11 7.566 4.273 0.579 52 HD1 TRP 11 HD1 TRP 11 8.320 2.136 3.653 53 HE1 TRP 11 HE1 TRP 11 7.216 -0.169 3.349 54 HE3 TRP 11 HE3 TRP 11 6.804 2.598 -1.208 55 HZ2 TRP 11 HZ2 TRP 11 5.880 -1.602 1.317 56 HZ3 TRP 11 HZ3 TRP 11 5.619 0.714 -2.257 57 HH2 TRP 11 HH2 TRP 11 5.169 -1.342 -1.020 58 H THR 12 H THR 12 9.838 4.230 -1.720 59 HA THR 12 HA THR 12 10.312 7.127 -1.439 60 HB THR 12 HB THR 12 11.656 7.059 -3.473 61 HG1 THR 12 HG1 THR 12 11.673 4.247 -3.448 62 1HG2 THR 12 1HG2 THR 12 13.154 6.841 -1.772 63 2HG2 THR 12 2HG2 THR 12 13.407 5.269 -2.530 64 3HG2 THR 12 3HG2 THR 12 12.364 5.408 -1.115 65 H GLU 13 H GLU 13 9.392 8.507 -2.998 66 HA GLU 13 HA GLU 13 6.829 8.292 -3.674 67 1HB GLU 13 1HB GLU 13 9.104 9.636 -5.028 68 2HB GLU 13 2HB GLU 13 7.594 9.536 -5.922 69 1HG GLU 13 1HG GLU 13 6.466 10.883 -4.441 70 2HG GLU 13 2HG GLU 13 7.567 10.526 -3.112 71 H GLU 14 H GLU 14 9.468 6.917 -5.592 72 HA GLU 14 HA GLU 14 7.925 5.966 -7.730 73 1HB GLU 14 1HB GLU 14 10.383 6.105 -7.778 74 2HB GLU 14 2HB GLU 14 10.477 4.810 -6.594 75 1HG GLU 14 1HG GLU 14 10.865 3.704 -8.573 76 2HG GLU 14 2HG GLU 14 9.139 3.443 -8.328 77 H ASP 15 H ASP 15 8.926 4.372 -4.719 78 HA ASP 15 HA ASP 15 7.558 1.934 -5.317 79 1HB ASP 15 1HB ASP 15 9.080 3.040 -3.022 80 2HB ASP 15 2HB ASP 15 7.907 1.779 -2.653 81 H LEU 16 H LEU 16 6.726 4.920 -3.734 82 HA LEU 16 HA LEU 16 4.350 3.895 -2.480 83 1HB LEU 16 1HB LEU 16 5.599 6.582 -2.812 84 2HB LEU 16 2HB LEU 16 3.907 6.475 -2.331 85 HG LEU 16 HG LEU 16 6.143 5.139 -0.817 86 1HD1 LEU 16 1HD1 LEU 16 5.202 7.935 -0.800 87 2HD1 LEU 16 2HD1 LEU 16 6.768 7.258 -0.357 88 3HD1 LEU 16 3HD1 LEU 16 5.418 7.170 0.775 89 1HD2 LEU 16 1HD2 LEU 16 4.347 5.345 1.005 90 2HD2 LEU 16 2HD2 LEU 16 4.131 4.111 -0.237 91 3HD2 LEU 16 3HD2 LEU 16 3.224 5.622 -0.327 92 H SER 17 H SER 17 5.172 5.427 -5.504 93 HA SER 17 HA SER 17 2.430 5.961 -6.228 94 1HB SER 17 1HB SER 17 4.682 7.147 -7.002 95 2HB SER 17 2HB SER 17 4.603 5.926 -8.273 96 HG SER 17 HG SER 17 3.434 7.557 -9.083 97 H GLN 18 H GLN 18 4.831 3.481 -6.832 98 HA GLN 18 HA GLN 18 3.437 2.169 -8.929 99 1HB GLN 18 1HB GLN 18 5.671 1.392 -7.083 100 2HB GLN 18 2HB GLN 18 4.936 0.193 -8.139 101 1HG GLN 18 1HG GLN 18 5.879 2.770 -9.297 102 2HG GLN 18 2HG GLN 18 7.052 1.518 -8.892 103 1HE2 GLN 18 1HE2 GLN 18 5.789 -0.765 -9.541 104 2HE2 GLN 18 2HE2 GLN 18 5.440 -0.810 -11.233 105 H LEU 19 H LEU 19 3.501 1.778 -5.422 106 HA LEU 19 HA LEU 19 2.206 -0.587 -5.045 107 1HB LEU 19 1HB LEU 19 2.990 0.831 -3.226 108 2HB LEU 19 2HB LEU 19 1.707 1.992 -3.564 109 HG LEU 19 HG LEU 19 0.034 0.337 -2.886 110 1HD1 LEU 19 1HD1 LEU 19 0.714 -1.753 -1.839 111 2HD1 LEU 19 2HD1 LEU 19 2.403 -1.399 -2.201 112 3HD1 LEU 19 3HD1 LEU 19 1.261 -1.682 -3.515 113 1HD2 LEU 19 1HD2 LEU 19 2.230 1.111 -1.011 114 2HD2 LEU 19 2HD2 LEU 19 0.884 0.126 -0.439 115 3HD2 LEU 19 3HD2 LEU 19 0.580 1.725 -1.120 116 H THR 20 H THR 20 0.576 2.559 -5.455 117 HA THR 20 HA THR 20 -2.043 1.722 -5.414 118 HB THR 20 HB THR 20 -0.910 3.861 -7.228 119 HG1 THR 20 HG1 THR 20 -0.364 4.334 -5.111 120 1HG2 THR 20 1HG2 THR 20 -3.611 4.092 -6.051 121 2HG2 THR 20 2HG2 THR 20 -3.418 2.887 -7.324 122 3HG2 THR 20 3HG2 THR 20 -3.022 4.576 -7.641 123 H ARG 21 H ARG 21 0.221 1.668 -8.129 124 HA ARG 21 HA ARG 21 -1.627 0.874 -10.104 125 1HB ARG 21 1HB ARG 21 1.338 0.296 -10.000 126 2HB ARG 21 2HB ARG 21 0.319 0.263 -11.433 127 1HG ARG 21 1HG ARG 21 -0.162 2.757 -10.726 128 2HG ARG 21 2HG ARG 21 1.399 2.578 -9.923 129 1HD ARG 21 1HD ARG 21 1.989 3.374 -12.018 130 2HD ARG 21 2HD ARG 21 2.192 1.632 -12.193 131 HE ARG 21 HE ARG 21 -0.408 2.282 -12.971 132 1HH1 ARG 21 1HH1 ARG 21 2.870 2.833 -14.006 133 2HH1 ARG 21 2HH1 ARG 21 2.455 2.970 -15.683 134 1HH2 ARG 21 1HH2 ARG 21 -0.967 2.460 -15.176 135 2HH2 ARG 21 2HH2 ARG 21 0.273 2.758 -16.347 136 H SER 22 H SER 22 0.565 -0.998 -8.032 137 HA SER 22 HA SER 22 -0.098 -3.528 -9.090 138 1HB SER 22 1HB SER 22 0.876 -4.401 -6.943 139 2HB SER 22 2HB SER 22 1.925 -3.277 -7.807 140 HG SER 22 HG SER 22 1.977 -2.390 -5.876 141 H MET 23 H MET 23 -1.321 -1.742 -6.277 142 HA MET 23 HA MET 23 -2.982 -3.572 -5.125 143 1HB MET 23 1HB MET 23 -3.442 -0.625 -5.583 144 2HB MET 23 2HB MET 23 -4.482 -1.612 -4.566 145 1HG MET 23 1HG MET 23 -2.452 -2.197 -3.221 146 2HG MET 23 2HG MET 23 -1.573 -0.987 -4.153 147 1HE MET 23 1HE MET 23 -4.346 -0.494 -0.672 148 2HE MET 23 2HE MET 23 -3.811 -1.955 -1.503 149 3HE MET 23 3HE MET 23 -2.663 -1.008 -0.555 150 H VAL 24 H VAL 24 -3.503 -1.812 -8.117 151 HA VAL 24 HA VAL 24 -6.231 -2.571 -8.444 152 HB VAL 24 HB VAL 24 -4.210 -1.618 -10.478 153 1HG1 VAL 24 1HG1 VAL 24 -6.188 -2.957 -11.359 154 2HG1 VAL 24 2HG1 VAL 24 -7.197 -1.619 -10.807 155 3HG1 VAL 24 3HG1 VAL 24 -5.955 -1.343 -12.029 156 1HG2 VAL 24 1HG2 VAL 24 -4.984 -0.136 -8.490 157 2HG2 VAL 24 2HG2 VAL 24 -4.979 0.537 -10.120 158 3HG2 VAL 24 3HG2 VAL 24 -6.491 -0.012 -9.397 159 H LYS 25 H LYS 25 -3.156 -3.834 -9.667 160 HA LYS 25 HA LYS 25 -4.274 -5.830 -11.328 161 1HB LYS 25 1HB LYS 25 -1.863 -4.896 -11.269 162 2HB LYS 25 2HB LYS 25 -1.589 -6.079 -9.997 163 1HG LYS 25 1HG LYS 25 -2.223 -7.875 -11.521 164 2HG LYS 25 2HG LYS 25 -2.514 -6.691 -12.798 165 1HD LYS 25 1HD LYS 25 -0.145 -5.999 -12.644 166 2HD LYS 25 2HD LYS 25 0.121 -7.264 -11.441 167 1HE LYS 25 1HE LYS 25 -0.194 -8.973 -12.995 168 2HE LYS 25 2HE LYS 25 -1.031 -7.915 -14.130 169 1HZ LYS 25 1HZ LYS 25 1.265 -6.706 -14.152 170 2HZ LYS 25 2HZ LYS 25 1.010 -8.078 -15.108 171 3HZ LYS 25 3HZ LYS 25 1.846 -8.211 -13.643 172 H PHE 26 H PHE 26 -3.705 -5.645 -7.920 173 HA PHE 26 HA PHE 26 -4.777 -8.362 -7.631 174 1HB PHE 26 1HB PHE 26 -2.640 -7.339 -5.778 175 2HB PHE 26 2HB PHE 26 -3.183 -8.996 -6.022 176 HD1 PHE 26 HD1 PHE 26 -0.692 -6.638 -6.779 177 HD2 PHE 26 HD2 PHE 26 -2.786 -9.961 -8.419 178 HE1 PHE 26 HE1 PHE 26 1.139 -6.996 -8.383 179 HE2 PHE 26 HE2 PHE 26 -0.958 -10.324 -10.025 180 HZ PHE 26 HZ PHE 26 1.008 -8.841 -10.008 181 HA PRO 27 HA PRO 27 -7.258 -5.382 -5.155 182 1HB PRO 27 1HB PRO 27 -9.623 -6.621 -5.649 183 2HB PRO 27 2HB PRO 27 -8.915 -5.431 -6.747 184 1HG PRO 27 1HG PRO 27 -8.860 -8.420 -6.901 185 2HG PRO 27 2HG PRO 27 -9.135 -7.238 -8.194 186 1HD PRO 27 1HD PRO 27 -6.746 -8.456 -7.818 187 2HD PRO 27 2HD PRO 27 -6.886 -6.801 -8.445 188 H GLY 28 H GLY 28 -9.252 -6.182 -3.634 189 1HA GLY 28 1HA GLY 28 -7.995 -7.833 -1.664 190 2HA GLY 28 2HA GLY 28 -9.606 -7.138 -1.565 191 H GLY 29 H GLY 29 -8.699 -9.818 -0.822 192 1HA GLY 29 1HA GLY 29 -9.842 -11.846 -0.815 193 2HA GLY 29 2HA GLY 29 -10.791 -11.286 -2.184 194 H THR 30 H THR 30 -8.081 -10.556 -3.458 195 HA THR 30 HA THR 30 -7.857 -12.889 -5.046 196 HB THR 30 HB THR 30 -6.435 -10.289 -4.893 197 HG1 THR 30 HG1 THR 30 -7.257 -11.820 -7.144 198 1HG2 THR 30 1HG2 THR 30 -4.526 -11.756 -4.912 199 2HG2 THR 30 2HG2 THR 30 -4.732 -11.087 -6.531 200 3HG2 THR 30 3HG2 THR 30 -5.241 -12.740 -6.188 201 HA PRO 31 HA PRO 31 -5.132 -15.329 -2.575 202 1HB PRO 31 1HB PRO 31 -4.270 -17.021 -4.516 203 2HB PRO 31 2HB PRO 31 -5.884 -17.121 -3.801 204 1HG PRO 31 1HG PRO 31 -5.032 -15.877 -6.387 205 2HG PRO 31 2HG PRO 31 -6.449 -16.887 -6.044 206 1HD PRO 31 1HD PRO 31 -6.594 -14.190 -6.230 207 2HD PRO 31 2HD PRO 31 -7.643 -15.131 -5.149 208 H GLY 32 H GLY 32 -3.269 -14.464 -1.885 209 1HA GLY 32 1HA GLY 32 -0.969 -14.113 -1.923 210 2HA GLY 32 2HA GLY 32 -0.970 -14.477 -3.643 211 H ARG 33 H ARG 33 -3.196 -12.131 -2.400 212 HA ARG 33 HA ARG 33 -2.625 -10.119 -4.141 213 1HB ARG 33 1HB ARG 33 -4.547 -10.042 -2.656 214 2HB ARG 33 2HB ARG 33 -3.496 -9.843 -1.260 215 1HG ARG 33 1HG ARG 33 -2.698 -7.697 -2.336 216 2HG ARG 33 2HG ARG 33 -4.041 -7.881 -3.465 217 1HD ARG 33 1HD ARG 33 -5.511 -8.098 -1.375 218 2HD ARG 33 2HD ARG 33 -4.126 -7.451 -0.496 219 HE ARG 33 HE ARG 33 -4.832 -5.843 -2.749 220 1HH1 ARG 33 1HH1 ARG 33 -5.630 -6.554 0.564 221 2HH1 ARG 33 2HH1 ARG 33 -6.321 -4.995 0.869 222 1HH2 ARG 33 1HH2 ARG 33 -5.740 -3.787 -2.361 223 2HH2 ARG 33 2HH2 ARG 33 -6.384 -3.422 -0.796 224 H TRP 34 H TRP 34 -1.577 -9.829 -0.752 225 HA TRP 34 HA TRP 34 0.342 -7.865 -1.221 226 1HB TRP 34 1HB TRP 34 0.229 -9.928 0.990 227 2HB TRP 34 2HB TRP 34 1.262 -8.501 0.999 228 HD1 TRP 34 HD1 TRP 34 -1.748 -9.552 2.554 229 HE1 TRP 34 HE1 TRP 34 -3.320 -7.593 3.117 230 HE3 TRP 34 HE3 TRP 34 0.335 -5.959 -0.427 231 HZ2 TRP 34 HZ2 TRP 34 -3.635 -4.883 2.392 232 HZ3 TRP 34 HZ3 TRP 34 -0.662 -3.710 -0.434 233 HH2 TRP 34 HH2 TRP 34 -2.606 -3.185 0.946 234 H GLU 35 H GLU 35 0.540 -11.345 -1.472 235 HA GLU 35 HA GLU 35 3.364 -11.554 -1.532 236 1HB GLU 35 1HB GLU 35 1.072 -13.311 -2.227 237 2HB GLU 35 2HB GLU 35 2.627 -13.713 -2.941 238 1HG GLU 35 1HG GLU 35 3.599 -13.688 -0.642 239 2HG GLU 35 2HG GLU 35 1.961 -13.507 -0.018 240 H LYS 36 H LYS 36 0.957 -10.806 -3.944 241 HA LYS 36 HA LYS 36 2.809 -11.080 -6.152 242 1HB LYS 36 1HB LYS 36 -0.006 -9.981 -6.050 243 2HB LYS 36 2HB LYS 36 0.923 -10.242 -7.520 244 1HG LYS 36 1HG LYS 36 0.601 -12.476 -7.492 245 2HG LYS 36 2HG LYS 36 0.625 -12.569 -5.729 246 1HD LYS 36 1HD LYS 36 -1.611 -12.139 -5.539 247 2HD LYS 36 2HD LYS 36 -1.660 -11.169 -7.013 248 1HE LYS 36 1HE LYS 36 -1.106 -14.093 -7.212 249 2HE LYS 36 2HE LYS 36 -2.759 -13.552 -6.928 250 1HZ LYS 36 1HZ LYS 36 -1.372 -12.154 -9.044 251 2HZ LYS 36 2HZ LYS 36 -2.946 -12.771 -9.004 252 3HZ LYS 36 3HZ LYS 36 -1.645 -13.795 -9.350 253 H ILE 37 H ILE 37 1.169 -8.446 -4.432 254 HA ILE 37 HA ILE 37 2.159 -6.322 -5.964 255 HB ILE 37 HB ILE 37 1.361 -6.401 -3.055 256 1HG1 ILE 37 1HG1 ILE 37 -0.122 -5.281 -5.437 257 2HG1 ILE 37 2HG1 ILE 37 -0.367 -6.913 -4.825 258 1HG2 ILE 37 1HG2 ILE 37 2.404 -4.425 -2.912 259 2HG2 ILE 37 2HG2 ILE 37 2.545 -4.266 -4.662 260 3HG2 ILE 37 3HG2 ILE 37 1.046 -3.810 -3.854 261 1HD1 ILE 37 1HD1 ILE 37 -1.440 -4.408 -3.886 262 2HD1 ILE 37 2HD1 ILE 37 -1.929 -6.060 -3.509 263 3HD1 ILE 37 3HD1 ILE 37 -0.631 -5.293 -2.593 264 H ALA 38 H ALA 38 3.530 -8.031 -3.203 265 HA ALA 38 HA ALA 38 5.695 -6.284 -2.732 266 1HB ALA 38 1HB ALA 38 6.331 -7.759 -1.139 267 2HB ALA 38 2HB ALA 38 4.704 -8.388 -1.405 268 3HB ALA 38 3HB ALA 38 6.086 -9.160 -2.182 269 H HIS 39 H HIS 39 5.484 -9.305 -4.603 270 HA HIS 39 HA HIS 39 8.149 -9.373 -5.458 271 1HB HIS 39 1HB HIS 39 6.900 -11.352 -5.749 272 2HB HIS 39 2HB HIS 39 5.607 -10.512 -6.600 273 HD1 HIS 39 HD1 HIS 39 9.212 -11.557 -7.128 274 HD2 HIS 39 HD2 HIS 39 5.830 -10.543 -9.317 275 HE1 HIS 39 HE1 HIS 39 9.803 -12.013 -9.530 276 H GLU 40 H GLU 40 5.402 -7.566 -6.612 277 HA GLU 40 HA GLU 40 6.634 -6.799 -9.095 278 1HB GLU 40 1HB GLU 40 4.153 -5.884 -7.648 279 2HB GLU 40 2HB GLU 40 4.694 -5.146 -9.150 280 1HG GLU 40 1HG GLU 40 4.136 -8.084 -8.861 281 2HG GLU 40 2HG GLU 40 2.929 -6.908 -9.379 282 H LEU 41 H LEU 41 5.874 -5.131 -6.044 283 HA LEU 41 HA LEU 41 7.169 -2.711 -6.779 284 1HB LEU 41 1HB LEU 41 6.373 -3.813 -4.091 285 2HB LEU 41 2HB LEU 41 7.002 -2.187 -4.345 286 HG LEU 41 HG LEU 41 4.381 -3.318 -5.309 287 1HD1 LEU 41 1HD1 LEU 41 4.149 -0.839 -3.977 288 2HD1 LEU 41 2HD1 LEU 41 5.192 -1.868 -2.996 289 3HD1 LEU 41 3HD1 LEU 41 3.580 -2.422 -3.449 290 1HD2 LEU 41 1HD2 LEU 41 5.826 -0.800 -6.076 291 2HD2 LEU 41 2HD2 LEU 41 4.069 -0.930 -6.165 292 3HD2 LEU 41 3HD2 LEU 41 5.084 -2.011 -7.122 293 H GLY 42 H GLY 42 8.271 -5.715 -5.490 294 1HA GLY 42 1HA GLY 42 10.527 -6.386 -5.466 295 2HA GLY 42 2HA GLY 42 11.007 -4.696 -5.512 296 H ARG 43 H ARG 43 8.574 -5.414 -3.238 297 HA ARG 43 HA ARG 43 10.582 -5.397 -1.080 298 1HB ARG 43 1HB ARG 43 7.792 -4.232 -1.106 299 2HB ARG 43 2HB ARG 43 8.834 -4.299 0.310 300 1HG ARG 43 1HG ARG 43 10.452 -2.858 -0.787 301 2HG ARG 43 2HG ARG 43 9.454 -2.825 -2.242 302 1HD ARG 43 1HD ARG 43 7.625 -1.819 -0.897 303 2HD ARG 43 2HD ARG 43 8.725 -1.750 0.479 304 HE ARG 43 HE ARG 43 8.613 0.070 -1.694 305 1HH1 ARG 43 1HH1 ARG 43 10.832 -1.498 0.483 306 2HH1 ARG 43 2HH1 ARG 43 12.016 -0.236 0.393 307 1HH2 ARG 43 1HH2 ARG 43 10.164 1.738 -1.820 308 2HH2 ARG 43 2HH2 ARG 43 11.634 1.605 -0.916 309 H SER 44 H SER 44 9.232 -6.077 1.079 310 HA SER 44 HA SER 44 8.473 -8.839 0.542 311 1HB SER 44 1HB SER 44 9.394 -7.320 2.943 312 2HB SER 44 2HB SER 44 8.432 -8.776 3.196 313 HG SER 44 HG SER 44 9.975 -9.976 2.191 314 H VAL 45 H VAL 45 6.615 -9.795 1.635 315 HA VAL 45 HA VAL 45 4.214 -8.618 1.042 316 HB VAL 45 HB VAL 45 4.855 -10.660 3.165 317 1HG1 VAL 45 1HG1 VAL 45 2.787 -9.440 3.747 318 2HG1 VAL 45 2HG1 VAL 45 2.118 -9.872 2.172 319 3HG1 VAL 45 3HG1 VAL 45 2.494 -11.133 3.348 320 1HG2 VAL 45 1HG2 VAL 45 4.977 -12.027 1.417 321 2HG2 VAL 45 2HG2 VAL 45 3.272 -11.712 1.096 322 3HG2 VAL 45 3HG2 VAL 45 4.512 -10.729 0.317 323 H THR 46 H THR 46 5.140 -9.096 4.441 324 HA THR 46 HA THR 46 3.393 -7.345 5.597 325 HB THR 46 HB THR 46 4.863 -8.852 6.882 326 HG1 THR 46 HG1 THR 46 4.577 -6.133 7.486 327 1HG2 THR 46 1HG2 THR 46 7.144 -8.436 7.251 328 2HG2 THR 46 2HG2 THR 46 7.040 -6.798 6.604 329 3HG2 THR 46 3HG2 THR 46 6.930 -8.184 5.520 330 H ASP 47 H ASP 47 6.548 -6.595 4.196 331 HA ASP 47 HA ASP 47 6.831 -3.964 5.017 332 1HB ASP 47 1HB ASP 47 7.809 -5.559 2.710 333 2HB ASP 47 2HB ASP 47 7.934 -3.807 2.576 334 H VAL 48 H VAL 48 4.991 -5.276 2.304 335 HA VAL 48 HA VAL 48 4.213 -2.692 1.319 336 HB VAL 48 HB VAL 48 2.635 -5.105 0.600 337 1HG1 VAL 48 1HG1 VAL 48 3.122 -2.511 -0.435 338 2HG1 VAL 48 2HG1 VAL 48 3.725 -3.685 -1.607 339 3HG1 VAL 48 3HG1 VAL 48 2.048 -3.760 -1.064 340 1HG2 VAL 48 1HG2 VAL 48 4.727 -5.350 -1.116 341 2HG2 VAL 48 2HG2 VAL 48 5.558 -4.937 0.383 342 3HG2 VAL 48 3HG2 VAL 48 4.493 -6.341 0.324 343 H THR 49 H THR 49 2.209 -5.386 2.523 344 HA THR 49 HA THR 49 -0.141 -4.054 2.913 345 HB THR 49 HB THR 49 -0.372 -6.302 3.329 346 HG1 THR 49 HG1 THR 49 -0.019 -5.551 6.034 347 1HG2 THR 49 1HG2 THR 49 1.331 -7.075 5.401 348 2HG2 THR 49 2HG2 THR 49 2.319 -6.058 4.352 349 3HG2 THR 49 3HG2 THR 49 1.495 -7.469 3.690 350 H THR 50 H THR 50 2.545 -4.296 5.224 351 HA THR 50 HA THR 50 1.374 -2.916 7.345 352 HB THR 50 HB THR 50 4.291 -3.001 6.552 353 HG1 THR 50 HG1 THR 50 2.580 -4.714 7.969 354 1HG2 THR 50 1HG2 THR 50 4.492 -1.417 8.141 355 2HG2 THR 50 2HG2 THR 50 4.226 -2.748 9.267 356 3HG2 THR 50 3HG2 THR 50 2.878 -1.719 8.783 357 H LYS 51 H LYS 51 2.785 -1.753 4.383 358 HA LYS 51 HA LYS 51 2.890 0.997 5.293 359 1HB LYS 51 1HB LYS 51 4.627 0.389 3.794 360 2HB LYS 51 2HB LYS 51 3.497 -0.351 2.667 361 1HG LYS 51 1HG LYS 51 4.325 1.769 1.820 362 2HG LYS 51 2HG LYS 51 2.587 1.843 2.121 363 1HD LYS 51 1HD LYS 51 3.255 3.822 3.069 364 2HD LYS 51 2HD LYS 51 3.367 2.750 4.466 365 1HE LYS 51 1HE LYS 51 5.697 2.624 4.327 366 2HE LYS 51 2HE LYS 51 5.720 3.208 2.664 367 1HZ LYS 51 1HZ LYS 51 6.399 5.040 3.857 368 2HZ LYS 51 2HZ LYS 51 5.359 4.733 5.156 369 3HZ LYS 51 3HZ LYS 51 4.740 5.338 3.702 370 H ALA 52 H ALA 52 1.091 -0.846 2.833 371 HA ALA 52 HA ALA 52 -0.580 1.209 1.967 372 1HB ALA 52 1HB ALA 52 -2.180 -0.909 1.613 373 2HB ALA 52 2HB ALA 52 -0.798 -0.560 0.574 374 3HB ALA 52 3HB ALA 52 -0.648 -1.743 1.874 375 H LYS 53 H LYS 53 -1.048 -1.141 4.585 376 HA LYS 53 HA LYS 53 -3.622 -0.600 5.343 377 1HB LYS 53 1HB LYS 53 -2.901 -1.187 7.666 378 2HB LYS 53 2HB LYS 53 -2.384 -2.336 6.439 379 1HG LYS 53 1HG LYS 53 -0.448 -2.147 7.604 380 2HG LYS 53 2HG LYS 53 -0.212 -0.824 6.459 381 1HD LYS 53 1HD LYS 53 0.306 0.183 8.476 382 2HD LYS 53 2HD LYS 53 -1.396 0.608 8.281 383 1HE LYS 53 1HE LYS 53 -0.588 -1.864 9.769 384 2HE LYS 53 2HE LYS 53 -0.578 -0.290 10.564 385 1HZ LYS 53 1HZ LYS 53 -2.960 -0.112 9.685 386 2HZ LYS 53 2HZ LYS 53 -2.678 -1.123 11.011 387 3HZ LYS 53 3HZ LYS 53 -2.872 -1.787 9.468 388 H GLN 54 H GLN 54 -0.767 1.356 5.871 389 HA GLN 54 HA GLN 54 -1.956 3.142 7.746 390 1HB GLN 54 1HB GLN 54 0.428 3.574 5.938 391 2HB GLN 54 2HB GLN 54 0.002 4.555 7.335 392 1HG GLN 54 1HG GLN 54 0.258 2.497 8.740 393 2HG GLN 54 2HG GLN 54 0.911 1.691 7.314 394 1HE2 GLN 54 1HE2 GLN 54 2.642 3.174 6.195 395 2HE2 GLN 54 2HE2 GLN 54 3.865 3.764 7.264 396 H LEU 55 H LEU 55 -1.723 3.028 4.252 397 HA LEU 55 HA LEU 55 -2.637 5.701 3.821 398 1HB LEU 55 1HB LEU 55 -2.758 3.396 1.889 399 2HB LEU 55 2HB LEU 55 -2.755 5.116 1.507 400 HG LEU 55 HG LEU 55 -0.408 3.816 2.852 401 1HD1 LEU 55 1HD1 LEU 55 -1.332 2.976 0.408 402 2HD1 LEU 55 2HD1 LEU 55 0.330 2.851 0.983 403 3HD1 LEU 55 3HD1 LEU 55 -0.155 4.218 -0.020 404 1HD2 LEU 55 1HD2 LEU 55 -0.520 6.254 2.849 405 2HD2 LEU 55 2HD2 LEU 55 -0.707 6.251 1.095 406 3HD2 LEU 55 3HD2 LEU 55 0.794 5.678 1.824 407 H LYS 56 H LYS 56 -4.162 2.527 3.954 408 HA LYS 56 HA LYS 56 -6.717 3.329 3.052 409 1HB LYS 56 1HB LYS 56 -5.893 1.023 4.825 410 2HB LYS 56 2HB LYS 56 -7.499 1.221 4.136 411 1HG LYS 56 1HG LYS 56 -6.295 1.283 1.868 412 2HG LYS 56 2HG LYS 56 -4.919 0.610 2.746 413 1HD LYS 56 1HD LYS 56 -6.078 -1.352 3.285 414 2HD LYS 56 2HD LYS 56 -7.648 -0.629 2.927 415 1HE LYS 56 1HE LYS 56 -5.503 -1.219 0.890 416 2HE LYS 56 2HE LYS 56 -6.909 -2.236 1.202 417 1HZ LYS 56 1HZ LYS 56 -7.853 -1.023 -0.399 418 2HZ LYS 56 2HZ LYS 56 -6.712 0.221 -0.291 419 3HZ LYS 56 3HZ LYS 56 -8.021 0.180 0.779 420 H ASP 57 H ASP 57 -5.282 3.094 6.278 421 HA ASP 57 HA ASP 57 -7.653 3.778 7.686 422 1HB ASP 57 1HB ASP 57 -4.734 3.771 8.431 423 2HB ASP 57 2HB ASP 57 -5.977 4.312 9.555 424 H SER 58 H SER 58 -4.683 5.676 7.117 425 HA SER 58 HA SER 58 -5.715 8.111 8.039 426 1HB SER 58 1HB SER 58 -3.404 7.330 6.308 427 2HB SER 58 2HB SER 58 -3.849 9.033 6.411 428 HG SER 58 HG SER 58 -2.720 7.374 8.313 429 H VAL 59 H VAL 59 -7.585 8.882 7.254 430 HA VAL 59 HA VAL 59 -7.730 9.375 4.355 431 HB VAL 59 HB VAL 59 -10.103 8.634 6.068 432 1HG1 VAL 59 1HG1 VAL 59 -10.196 8.394 3.138 433 2HG1 VAL 59 2HG1 VAL 59 -11.411 8.991 4.270 434 3HG1 VAL 59 3HG1 VAL 59 -10.088 10.040 3.759 435 1HG2 VAL 59 1HG2 VAL 59 -9.719 6.471 5.711 436 2HG2 VAL 59 2HG2 VAL 59 -9.434 6.741 3.991 437 3HG2 VAL 59 3HG2 VAL 59 -8.111 6.922 5.143 438 H THR 60 H THR 60 -8.440 11.358 3.742 439 HA THR 60 HA THR 60 -9.249 13.210 5.890 440 HB THR 60 HB THR 60 -8.200 15.027 4.522 441 HG1 THR 60 HG1 THR 60 -7.271 14.551 2.672 442 1HG2 THR 60 1HG2 THR 60 -5.814 14.312 5.051 443 2HG2 THR 60 2HG2 THR 60 -6.506 12.789 5.610 444 3HG2 THR 60 3HG2 THR 60 -6.955 14.303 6.394 445 H CYS 61 H CYS 61 -11.376 13.519 5.658 446 HA CYS 61 HA CYS 61 -12.359 14.650 3.185 447 1HB CYS 61 1HB CYS 61 -13.229 11.958 4.191 448 2HB CYS 61 2HB CYS 61 -14.351 12.976 3.295 449 HG CYS 61 HG CYS 61 -11.722 13.023 1.485 450 H SER 62 H SER 62 -13.855 16.164 3.578 451 HA SER 62 HA SER 62 -14.551 16.784 6.277 452 1HB SER 62 1HB SER 62 -15.719 18.696 5.343 453 2HB SER 62 2HB SER 62 -14.172 18.509 4.517 454 HG SER 62 HG SER 62 -15.738 18.838 2.971 455 HA PRO 63 HA PRO 63 -18.299 14.515 6.684 456 1HB PRO 63 1HB PRO 63 -19.517 16.021 8.585 457 2HB PRO 63 2HB PRO 63 -18.148 14.959 8.933 458 1HG PRO 63 1HG PRO 63 -18.183 17.919 8.483 459 2HG PRO 63 2HG PRO 63 -17.297 16.983 9.701 460 1HD PRO 63 1HD PRO 63 -16.129 17.908 7.440 461 2HD PRO 63 2HD PRO 63 -15.635 16.391 8.218 462 H GLY 64 H GLY 64 -20.583 14.649 6.322 463 1HA GLY 64 1HA GLY 64 -22.246 15.275 4.820 464 2HA GLY 64 2HA GLY 64 -22.244 16.690 5.862 465 H MET 65 H MET 65 -22.850 18.081 4.194 466 HA MET 65 HA MET 65 -20.767 18.540 2.160 467 1HB MET 65 1HB MET 65 -23.762 18.820 1.970 468 2HB MET 65 2HB MET 65 -22.673 19.572 0.813 469 1HG MET 65 1HG MET 65 -21.903 17.496 0.027 470 2HG MET 65 2HG MET 65 -22.606 16.631 1.392 471 1HE MET 65 1HE MET 65 -26.133 17.401 1.176 472 2HE MET 65 2HE MET 65 -25.836 15.714 0.756 473 3HE MET 65 3HE MET 65 -24.827 16.513 1.962 474 H VAL 66 H VAL 66 -20.021 20.592 1.870 475 HA VAL 66 HA VAL 66 -20.741 22.526 3.928 476 HB VAL 66 HB VAL 66 -18.783 23.788 3.179 477 1HG1 VAL 66 1HG1 VAL 66 -17.915 22.443 4.750 478 2HG1 VAL 66 2HG1 VAL 66 -18.677 21.001 4.076 479 3HG1 VAL 66 3HG1 VAL 66 -17.167 21.604 3.392 480 1HG2 VAL 66 1HG2 VAL 66 -18.770 23.392 0.836 481 2HG2 VAL 66 2HG2 VAL 66 -17.273 22.713 1.475 482 3HG2 VAL 66 3HG2 VAL 66 -18.619 21.650 1.064 483 H SER 67 H SER 67 -22.042 24.196 3.576 484 HA SER 67 HA SER 67 -22.397 25.164 0.821 485 1HB SER 67 1HB SER 67 -24.620 24.799 2.845 486 2HB SER 67 2HB SER 67 -24.795 25.433 1.209 487 HG SER 67 HG SER 67 -25.215 23.065 1.685 488 H GLY 68 H GLY 68 -23.120 25.913 4.234 489 1HA GLY 68 1HA GLY 68 -21.774 28.073 4.818 490 2HA GLY 68 2HA GLY 68 -22.852 28.769 3.617 491 HA PRO 69 HA PRO 69 -25.457 27.440 7.510 492 1HB PRO 69 1HB PRO 69 -24.020 27.297 9.810 493 2HB PRO 69 2HB PRO 69 -24.303 25.899 8.765 494 1HG PRO 69 1HG PRO 69 -21.893 27.664 8.956 495 2HG PRO 69 2HG PRO 69 -21.978 25.898 8.823 496 1HD PRO 69 1HD PRO 69 -21.439 27.495 6.703 497 2HD PRO 69 2HD PRO 69 -22.318 25.961 6.544 498 H SER 70 H SER 70 -26.520 28.990 8.654 499 HA SER 70 HA SER 70 -25.129 31.559 8.990 500 1HB SER 70 1HB SER 70 -27.180 31.424 7.497 501 2HB SER 70 2HB SER 70 -28.119 31.122 8.959 502 HG SER 70 HG SER 70 -28.195 33.280 8.731 503 H SER 71 H SER 71 -24.238 31.327 11.009 504 HA SER 71 HA SER 71 -26.112 31.471 13.230 505 1HB SER 71 1HB SER 71 -25.396 29.027 12.845 506 2HB SER 71 2HB SER 71 -23.809 29.537 13.423 507 HG SER 71 HG SER 71 -25.001 28.786 15.161 508 H GLY 72 H GLY 72 -24.966 32.032 15.296 509 1HA GLY 72 1HA GLY 72 -23.669 33.559 16.423 510 2HA GLY 72 2HA GLY 72 -22.342 32.864 15.505 Start of MODEL 19 1 1H GLY 1 1H GLY 1 32.881 -8.961 4.420 2 1HA GLY 1 1HA GLY 1 32.279 -6.168 5.170 3 2HA GLY 1 2HA GLY 1 31.257 -7.157 4.137 4 H SER 2 H SER 2 30.631 -5.727 6.635 5 HA SER 2 HA SER 2 29.544 -8.025 8.111 6 1HB SER 2 1HB SER 2 29.963 -6.894 10.240 7 2HB SER 2 2HB SER 2 31.476 -7.125 9.363 8 HG SER 2 HG SER 2 30.309 -4.832 10.180 9 H SER 3 H SER 3 27.408 -7.938 8.099 10 HA SER 3 HA SER 3 26.104 -5.294 8.082 11 1HB SER 3 1HB SER 3 24.237 -6.394 6.829 12 2HB SER 3 2HB SER 3 25.756 -6.347 5.934 13 HG SER 3 HG SER 3 24.295 -8.478 6.679 14 H GLY 4 H GLY 4 24.978 -4.885 9.858 15 1HA GLY 4 1HA GLY 4 24.250 -7.092 11.629 16 2HA GLY 4 2HA GLY 4 24.236 -5.383 12.039 17 H SER 5 H SER 5 22.234 -4.839 12.588 18 HA SER 5 HA SER 5 19.924 -6.182 11.604 19 1HB SER 5 1HB SER 5 20.206 -4.986 13.859 20 2HB SER 5 2HB SER 5 19.907 -3.493 12.970 21 HG SER 5 HG SER 5 17.908 -4.039 13.471 22 H SER 6 H SER 6 19.875 -5.998 9.372 23 HA SER 6 HA SER 6 18.848 -3.467 8.385 24 1HB SER 6 1HB SER 6 21.224 -3.174 7.994 25 2HB SER 6 2HB SER 6 21.330 -4.760 7.229 26 HG SER 6 HG SER 6 21.191 -3.127 5.664 27 H GLY 7 H GLY 7 17.795 -3.651 6.320 28 1HA GLY 7 1HA GLY 7 17.540 -6.217 5.051 29 2HA GLY 7 2HA GLY 7 16.126 -5.788 6.002 30 H ALA 8 H ALA 8 14.559 -5.048 4.749 31 HA ALA 8 HA ALA 8 15.003 -4.015 2.139 32 1HB ALA 8 1HB ALA 8 12.776 -4.201 1.874 33 2HB ALA 8 2HB ALA 8 12.874 -5.124 3.375 34 3HB ALA 8 3HB ALA 8 12.419 -3.421 3.415 35 HA PRO 9 HA PRO 9 15.760 0.233 3.029 36 1HB PRO 9 1HB PRO 9 15.043 1.294 0.636 37 2HB PRO 9 2HB PRO 9 16.541 0.386 0.874 38 1HG PRO 9 1HG PRO 9 13.933 -0.530 -0.275 39 2HG PRO 9 2HG PRO 9 15.581 -0.858 -0.840 40 1HD PRO 9 1HD PRO 9 14.152 -2.650 0.601 41 2HD PRO 9 2HD PRO 9 15.919 -2.523 0.717 42 H GLU 10 H GLU 10 14.569 2.439 2.495 43 HA GLU 10 HA GLU 10 12.000 2.250 3.784 44 1HB GLU 10 1HB GLU 10 12.044 4.708 3.742 45 2HB GLU 10 2HB GLU 10 13.530 4.040 4.404 46 1HG GLU 10 1HG GLU 10 14.756 4.565 2.476 47 2HG GLU 10 2HG GLU 10 13.298 4.843 1.525 48 H TRP 11 H TRP 11 10.365 4.045 2.813 49 HA TRP 11 HA TRP 11 9.722 3.027 0.146 50 1HB TRP 11 1HB TRP 11 8.109 4.346 2.314 51 2HB TRP 11 2HB TRP 11 7.499 4.256 0.664 52 HD1 TRP 11 HD1 TRP 11 8.222 2.082 3.713 53 HE1 TRP 11 HE1 TRP 11 7.127 -0.222 3.368 54 HE3 TRP 11 HE3 TRP 11 6.777 2.593 -1.164 55 HZ2 TRP 11 HZ2 TRP 11 5.823 -1.635 1.301 56 HZ3 TRP 11 HZ3 TRP 11 5.612 0.719 -2.252 57 HH2 TRP 11 HH2 TRP 11 5.146 -1.351 -1.043 58 H THR 12 H THR 12 9.816 4.249 -1.634 59 HA THR 12 HA THR 12 10.269 7.143 -1.296 60 HB THR 12 HB THR 12 11.650 7.124 -3.295 61 HG1 THR 12 HG1 THR 12 11.263 4.298 -3.316 62 1HG2 THR 12 1HG2 THR 12 13.504 6.483 -2.189 63 2HG2 THR 12 2HG2 THR 12 12.902 4.845 -1.933 64 3HG2 THR 12 3HG2 THR 12 12.395 6.149 -0.859 65 H GLU 13 H GLU 13 9.377 8.546 -2.859 66 HA GLU 13 HA GLU 13 6.819 8.345 -3.561 67 1HB GLU 13 1HB GLU 13 9.111 9.698 -4.877 68 2HB GLU 13 2HB GLU 13 7.609 9.611 -5.787 69 1HG GLU 13 1HG GLU 13 6.470 10.946 -4.304 70 2HG GLU 13 2HG GLU 13 7.556 10.570 -2.967 71 H GLU 14 H GLU 14 9.474 6.993 -5.476 72 HA GLU 14 HA GLU 14 7.943 6.063 -7.633 73 1HB GLU 14 1HB GLU 14 10.398 6.213 -7.676 74 2HB GLU 14 2HB GLU 14 10.497 4.910 -6.500 75 1HG GLU 14 1HG GLU 14 10.858 3.747 -8.420 76 2HG GLU 14 2HG GLU 14 9.105 3.606 -8.299 77 H ASP 15 H ASP 15 8.936 4.441 -4.635 78 HA ASP 15 HA ASP 15 7.582 2.003 -5.267 79 1HB ASP 15 1HB ASP 15 9.086 3.089 -2.951 80 2HB ASP 15 2HB ASP 15 7.921 1.814 -2.606 81 H LEU 16 H LEU 16 6.713 4.979 -3.706 82 HA LEU 16 HA LEU 16 4.337 3.923 -2.462 83 1HB LEU 16 1HB LEU 16 5.597 6.610 -2.727 84 2HB LEU 16 2HB LEU 16 3.894 6.508 -2.284 85 HG LEU 16 HG LEU 16 6.087 5.129 -0.745 86 1HD1 LEU 16 1HD1 LEU 16 5.141 7.930 -0.679 87 2HD1 LEU 16 2HD1 LEU 16 6.716 7.252 -0.270 88 3HD1 LEU 16 3HD1 LEU 16 5.378 7.127 0.873 89 1HD2 LEU 16 1HD2 LEU 16 4.175 5.446 1.025 90 2HD2 LEU 16 2HD2 LEU 16 4.143 4.094 -0.107 91 3HD2 LEU 16 3HD2 LEU 16 3.153 5.522 -0.410 92 H SER 17 H SER 17 5.188 5.472 -5.463 93 HA SER 17 HA SER 17 2.450 6.030 -6.198 94 1HB SER 17 1HB SER 17 4.711 7.227 -6.934 95 2HB SER 17 2HB SER 17 4.640 6.028 -8.225 96 HG SER 17 HG SER 17 3.144 7.180 -9.124 97 H GLN 18 H GLN 18 4.855 3.558 -6.811 98 HA GLN 18 HA GLN 18 3.494 2.279 -8.947 99 1HB GLN 18 1HB GLN 18 5.701 1.490 -7.080 100 2HB GLN 18 2HB GLN 18 4.967 0.281 -8.125 101 1HG GLN 18 1HG GLN 18 5.875 2.825 -9.353 102 2HG GLN 18 2HG GLN 18 7.094 1.653 -8.856 103 1HE2 GLN 18 1HE2 GLN 18 4.115 1.963 -10.731 104 2HE2 GLN 18 2HE2 GLN 18 4.527 0.777 -11.916 105 H LEU 19 H LEU 19 3.481 1.847 -5.445 106 HA LEU 19 HA LEU 19 2.142 -0.523 -5.162 107 1HB LEU 19 1HB LEU 19 2.973 0.793 -3.289 108 2HB LEU 19 2HB LEU 19 1.726 2.005 -3.573 109 HG LEU 19 HG LEU 19 0.012 0.303 -3.005 110 1HD1 LEU 19 1HD1 LEU 19 0.632 -1.782 -2.013 111 2HD1 LEU 19 2HD1 LEU 19 2.345 -1.376 -2.105 112 3HD1 LEU 19 3HD1 LEU 19 1.427 -1.663 -3.583 113 1HD2 LEU 19 1HD2 LEU 19 0.562 1.788 -1.272 114 2HD2 LEU 19 2HD2 LEU 19 2.133 1.031 -1.006 115 3HD2 LEU 19 3HD2 LEU 19 0.656 0.184 -0.544 116 H THR 20 H THR 20 0.697 2.680 -5.689 117 HA THR 20 HA THR 20 -1.983 1.968 -5.576 118 HB THR 20 HB THR 20 -0.847 4.022 -7.477 119 HG1 THR 20 HG1 THR 20 -0.393 5.219 -5.789 120 1HG2 THR 20 1HG2 THR 20 -3.440 3.198 -7.110 121 2HG2 THR 20 2HG2 THR 20 -2.948 4.769 -7.741 122 3HG2 THR 20 3HG2 THR 20 -3.323 4.585 -6.028 123 H ARG 21 H ARG 21 0.351 1.534 -8.145 124 HA ARG 21 HA ARG 21 -1.580 0.873 -10.156 125 1HB ARG 21 1HB ARG 21 1.382 0.268 -10.097 126 2HB ARG 21 2HB ARG 21 0.337 0.234 -11.511 127 1HG ARG 21 1HG ARG 21 0.515 2.762 -9.963 128 2HG ARG 21 2HG ARG 21 1.884 2.297 -10.974 129 1HD ARG 21 1HD ARG 21 0.414 3.703 -12.254 130 2HD ARG 21 2HD ARG 21 0.328 2.061 -12.888 131 HE ARG 21 HE ARG 21 -1.889 2.055 -12.376 132 1HH1 ARG 21 1HH1 ARG 21 -0.310 4.448 -10.401 133 2HH1 ARG 21 2HH1 ARG 21 -1.782 5.021 -9.689 134 1HH2 ARG 21 1HH2 ARG 21 -3.834 2.799 -11.444 135 2HH2 ARG 21 2HH2 ARG 21 -3.786 4.081 -10.282 136 H SER 22 H SER 22 0.570 -0.970 -8.027 137 HA SER 22 HA SER 22 -0.082 -3.519 -9.059 138 1HB SER 22 1HB SER 22 0.826 -4.331 -6.828 139 2HB SER 22 2HB SER 22 1.920 -3.327 -7.780 140 HG SER 22 HG SER 22 1.972 -2.525 -5.728 141 H MET 23 H MET 23 -1.318 -1.690 -6.278 142 HA MET 23 HA MET 23 -3.008 -3.501 -5.132 143 1HB MET 23 1HB MET 23 -3.414 -0.547 -5.591 144 2HB MET 23 2HB MET 23 -4.488 -1.516 -4.591 145 1HG MET 23 1HG MET 23 -2.554 -2.115 -3.172 146 2HG MET 23 2HG MET 23 -1.555 -1.030 -4.136 147 1HE MET 23 1HE MET 23 -4.538 -0.411 -0.960 148 2HE MET 23 2HE MET 23 -3.482 -1.755 -1.396 149 3HE MET 23 3HE MET 23 -2.854 -0.417 -0.432 150 H VAL 24 H VAL 24 -3.489 -1.726 -8.123 151 HA VAL 24 HA VAL 24 -6.222 -2.427 -8.476 152 HB VAL 24 HB VAL 24 -4.172 -1.595 -10.534 153 1HG1 VAL 24 1HG1 VAL 24 -5.880 -1.312 -12.079 154 2HG1 VAL 24 2HG1 VAL 24 -6.323 -2.822 -11.281 155 3HG1 VAL 24 3HG1 VAL 24 -7.137 -1.320 -10.842 156 1HG2 VAL 24 1HG2 VAL 24 -6.323 0.141 -9.375 157 2HG2 VAL 24 2HG2 VAL 24 -4.762 -0.031 -8.571 158 3HG2 VAL 24 3HG2 VAL 24 -4.843 0.613 -10.211 159 H LYS 25 H LYS 25 -3.172 -3.805 -9.630 160 HA LYS 25 HA LYS 25 -4.343 -5.795 -11.272 161 1HB LYS 25 1HB LYS 25 -1.892 -4.898 -11.179 162 2HB LYS 25 2HB LYS 25 -1.669 -6.143 -9.957 163 1HG LYS 25 1HG LYS 25 -2.256 -7.865 -11.516 164 2HG LYS 25 2HG LYS 25 -2.700 -6.669 -12.736 165 1HD LYS 25 1HD LYS 25 -0.313 -5.852 -12.626 166 2HD LYS 25 2HD LYS 25 0.044 -7.281 -11.653 167 1HE LYS 25 1HE LYS 25 0.580 -8.001 -13.780 168 2HE LYS 25 2HE LYS 25 -1.080 -8.570 -13.609 169 1HZ LYS 25 1HZ LYS 25 -1.824 -6.596 -14.812 170 2HZ LYS 25 2HZ LYS 25 -0.759 -7.522 -15.744 171 3HZ LYS 25 3HZ LYS 25 -0.219 -6.097 -15.011 172 H PHE 26 H PHE 26 -3.725 -5.573 -7.869 173 HA PHE 26 HA PHE 26 -4.866 -8.257 -7.528 174 1HB PHE 26 1HB PHE 26 -2.708 -7.250 -5.693 175 2HB PHE 26 2HB PHE 26 -3.278 -8.900 -5.922 176 HD1 PHE 26 HD1 PHE 26 -0.746 -6.594 -6.696 177 HD2 PHE 26 HD2 PHE 26 -2.899 -9.890 -8.314 178 HE1 PHE 26 HE1 PHE 26 1.079 -6.996 -8.296 179 HE2 PHE 26 HE2 PHE 26 -1.077 -10.298 -9.916 180 HZ PHE 26 HZ PHE 26 0.916 -8.851 -9.909 181 HA PRO 27 HA PRO 27 -7.276 -5.181 -5.098 182 1HB PRO 27 1HB PRO 27 -9.669 -6.375 -5.565 183 2HB PRO 27 2HB PRO 27 -8.937 -5.219 -6.685 184 1HG PRO 27 1HG PRO 27 -8.949 -8.211 -6.790 185 2HG PRO 27 2HG PRO 27 -9.201 -7.044 -8.101 186 1HD PRO 27 1HD PRO 27 -6.839 -8.309 -7.711 187 2HD PRO 27 2HD PRO 27 -6.943 -6.661 -8.364 188 H GLY 28 H GLY 28 -9.234 -5.865 -3.521 189 1HA GLY 28 1HA GLY 28 -8.022 -7.539 -1.549 190 2HA GLY 28 2HA GLY 28 -9.606 -6.786 -1.442 191 H GLY 29 H GLY 29 -8.747 -9.497 -0.691 192 1HA GLY 29 1HA GLY 29 -9.964 -11.484 -0.631 193 2HA GLY 29 2HA GLY 29 -10.923 -10.909 -1.986 194 H THR 30 H THR 30 -8.129 -10.294 -3.238 195 HA THR 30 HA THR 30 -8.040 -12.647 -4.834 196 HB THR 30 HB THR 30 -6.522 -10.097 -4.731 197 HG1 THR 30 HG1 THR 30 -8.006 -10.025 -6.278 198 1HG2 THR 30 1HG2 THR 30 -5.469 -12.567 -6.116 199 2HG2 THR 30 2HG2 THR 30 -4.703 -11.718 -4.773 200 3HG2 THR 30 3HG2 THR 30 -4.857 -10.930 -6.343 201 HA PRO 31 HA PRO 31 -5.356 -15.141 -2.372 202 1HB PRO 31 1HB PRO 31 -4.579 -16.884 -4.302 203 2HB PRO 31 2HB PRO 31 -6.183 -16.924 -3.561 204 1HG PRO 31 1HG PRO 31 -5.334 -15.741 -6.177 205 2HG PRO 31 2HG PRO 31 -6.776 -16.701 -5.799 206 1HD PRO 31 1HD PRO 31 -6.839 -14.003 -6.019 207 2HD PRO 31 2HD PRO 31 -7.899 -14.896 -4.909 208 H GLY 32 H GLY 32 -3.453 -14.338 -1.721 209 1HA GLY 32 1HA GLY 32 -1.145 -14.058 -1.800 210 2HA GLY 32 2HA GLY 32 -1.184 -14.443 -3.514 211 H ARG 33 H ARG 33 -3.349 -12.025 -2.345 212 HA ARG 33 HA ARG 33 -2.697 -10.056 -4.101 213 1HB ARG 33 1HB ARG 33 -4.640 -9.882 -2.673 214 2HB ARG 33 2HB ARG 33 -3.625 -9.738 -1.244 215 1HG ARG 33 1HG ARG 33 -2.706 -7.618 -2.276 216 2HG ARG 33 2HG ARG 33 -4.021 -7.738 -3.447 217 1HD ARG 33 1HD ARG 33 -5.552 -7.922 -1.387 218 2HD ARG 33 2HD ARG 33 -4.168 -7.308 -0.482 219 HE ARG 33 HE ARG 33 -4.880 -5.725 -2.783 220 1HH1 ARG 33 1HH1 ARG 33 -5.408 -6.277 0.613 221 2HH1 ARG 33 2HH1 ARG 33 -5.978 -4.670 0.919 222 1HH2 ARG 33 1HH2 ARG 33 -5.629 -3.607 -2.393 223 2HH2 ARG 33 2HH2 ARG 33 -6.105 -3.152 -0.792 224 H TRP 34 H TRP 34 -1.695 -9.736 -0.701 225 HA TRP 34 HA TRP 34 0.261 -7.817 -1.140 226 1HB TRP 34 1HB TRP 34 0.112 -9.909 1.041 227 2HB TRP 34 2HB TRP 34 1.174 -8.503 1.072 228 HD1 TRP 34 HD1 TRP 34 -1.884 -9.526 2.577 229 HE1 TRP 34 HE1 TRP 34 -3.407 -7.540 3.178 230 HE3 TRP 34 HE3 TRP 34 0.335 -5.909 -0.275 231 HZ2 TRP 34 HZ2 TRP 34 -3.638 -4.803 2.529 232 HZ3 TRP 34 HZ3 TRP 34 -0.599 -3.633 -0.229 233 HH2 TRP 34 HH2 TRP 34 -2.544 -3.093 1.144 234 H GLU 35 H GLU 35 0.448 -11.315 -1.346 235 HA GLU 35 HA GLU 35 3.261 -11.537 -1.444 236 1HB GLU 35 1HB GLU 35 0.955 -13.280 -2.124 237 2HB GLU 35 2HB GLU 35 2.502 -13.692 -2.849 238 1HG GLU 35 1HG GLU 35 3.485 -13.654 -0.545 239 2HG GLU 35 2HG GLU 35 1.843 -13.496 0.076 240 H LYS 36 H LYS 36 0.845 -10.791 -3.851 241 HA LYS 36 HA LYS 36 2.686 -11.076 -6.065 242 1HB LYS 36 1HB LYS 36 -0.113 -9.934 -5.968 243 2HB LYS 36 2HB LYS 36 0.807 -10.252 -7.433 244 1HG LYS 36 1HG LYS 36 0.435 -12.477 -7.348 245 2HG LYS 36 2HG LYS 36 0.464 -12.527 -5.584 246 1HD LYS 36 1HD LYS 36 -1.762 -12.037 -5.398 247 2HD LYS 36 2HD LYS 36 -1.795 -11.112 -6.901 248 1HE LYS 36 1HE LYS 36 -1.329 -14.063 -6.976 249 2HE LYS 36 2HE LYS 36 -2.965 -13.440 -6.770 250 1HZ LYS 36 1HZ LYS 36 -1.809 -12.008 -8.847 251 2HZ LYS 36 2HZ LYS 36 -3.049 -13.153 -8.949 252 3HZ LYS 36 3HZ LYS 36 -1.438 -13.634 -9.131 253 H ILE 37 H ILE 37 1.055 -8.421 -4.365 254 HA ILE 37 HA ILE 37 2.050 -6.308 -5.896 255 HB ILE 37 HB ILE 37 1.278 -6.395 -2.982 256 1HG1 ILE 37 1HG1 ILE 37 -0.185 -5.229 -5.357 257 2HG1 ILE 37 2HG1 ILE 37 -0.475 -6.849 -4.731 258 1HG2 ILE 37 1HG2 ILE 37 2.517 -4.489 -2.921 259 2HG2 ILE 37 2HG2 ILE 37 2.345 -4.189 -4.649 260 3HG2 ILE 37 3HG2 ILE 37 1.016 -3.813 -3.554 261 1HD1 ILE 37 1HD1 ILE 37 -1.477 -4.311 -3.811 262 2HD1 ILE 37 2HD1 ILE 37 -2.002 -5.946 -3.409 263 3HD1 ILE 37 3HD1 ILE 37 -0.681 -5.198 -2.512 264 H ALA 38 H ALA 38 3.453 -8.028 -3.160 265 HA ALA 38 HA ALA 38 5.640 -6.292 -2.732 266 1HB ALA 38 1HB ALA 38 4.637 -8.442 -1.421 267 2HB ALA 38 2HB ALA 38 6.090 -9.133 -2.143 268 3HB ALA 38 3HB ALA 38 6.212 -7.719 -1.095 269 H HIS 39 H HIS 39 5.352 -9.314 -4.588 270 HA HIS 39 HA HIS 39 8.009 -9.424 -5.477 271 1HB HIS 39 1HB HIS 39 6.618 -11.370 -5.674 272 2HB HIS 39 2HB HIS 39 5.463 -10.510 -6.688 273 HD1 HIS 39 HD1 HIS 39 8.768 -12.237 -6.790 274 HD2 HIS 39 HD2 HIS 39 6.207 -10.241 -9.382 275 HE1 HIS 39 HE1 HIS 39 9.623 -12.741 -9.101 276 H GLU 40 H GLU 40 5.326 -7.498 -6.503 277 HA GLU 40 HA GLU 40 6.497 -6.801 -9.053 278 1HB GLU 40 1HB GLU 40 4.050 -5.875 -7.562 279 2HB GLU 40 2HB GLU 40 4.580 -5.099 -9.047 280 1HG GLU 40 1HG GLU 40 3.960 -8.031 -8.811 281 2HG GLU 40 2HG GLU 40 2.806 -6.812 -9.349 282 H LEU 41 H LEU 41 5.824 -5.111 -5.993 283 HA LEU 41 HA LEU 41 7.165 -2.723 -6.771 284 1HB LEU 41 1HB LEU 41 6.347 -3.763 -4.065 285 2HB LEU 41 2HB LEU 41 7.004 -2.153 -4.351 286 HG LEU 41 HG LEU 41 4.367 -3.251 -5.311 287 1HD1 LEU 41 1HD1 LEU 41 3.532 -2.305 -3.492 288 2HD1 LEU 41 2HD1 LEU 41 4.224 -0.753 -3.958 289 3HD1 LEU 41 3HD1 LEU 41 5.161 -1.875 -2.972 290 1HD2 LEU 41 1HD2 LEU 41 5.793 -0.696 -6.015 291 2HD2 LEU 41 2HD2 LEU 41 4.057 -0.926 -6.224 292 3HD2 LEU 41 3HD2 LEU 41 5.195 -1.943 -7.109 293 H GLY 42 H GLY 42 8.196 -5.739 -5.464 294 1HA GLY 42 1HA GLY 42 10.427 -6.469 -5.408 295 2HA GLY 42 2HA GLY 42 10.954 -4.795 -5.501 296 H ARG 43 H ARG 43 8.517 -5.623 -3.199 297 HA ARG 43 HA ARG 43 10.529 -5.483 -1.049 298 1HB ARG 43 1HB ARG 43 7.731 -4.343 -1.103 299 2HB ARG 43 2HB ARG 43 8.746 -4.406 0.332 300 1HG ARG 43 1HG ARG 43 10.392 -2.974 -0.765 301 2HG ARG 43 2HG ARG 43 9.377 -2.915 -2.207 302 1HD ARG 43 1HD ARG 43 7.571 -1.915 -0.830 303 2HD ARG 43 2HD ARG 43 8.683 -1.878 0.538 304 HE ARG 43 HE ARG 43 8.567 -0.021 -1.603 305 1HH1 ARG 43 1HH1 ARG 43 10.791 -1.640 0.530 306 2HH1 ARG 43 2HH1 ARG 43 11.983 -0.386 0.451 307 1HH2 ARG 43 1HH2 ARG 43 10.128 1.638 -1.715 308 2HH2 ARG 43 2HH2 ARG 43 11.605 1.479 -0.825 309 H SER 44 H SER 44 9.159 -6.136 1.123 310 HA SER 44 HA SER 44 8.430 -8.918 0.618 311 1HB SER 44 1HB SER 44 9.160 -7.404 3.127 312 2HB SER 44 2HB SER 44 8.553 -9.059 3.161 313 HG SER 44 HG SER 44 10.875 -8.885 3.120 314 H VAL 45 H VAL 45 6.530 -9.865 1.431 315 HA VAL 45 HA VAL 45 4.153 -8.669 0.986 316 HB VAL 45 HB VAL 45 4.849 -10.810 2.977 317 1HG1 VAL 45 1HG1 VAL 45 2.354 -11.234 3.078 318 2HG1 VAL 45 2HG1 VAL 45 2.945 -9.836 3.978 319 3HG1 VAL 45 3HG1 VAL 45 2.148 -9.610 2.420 320 1HG2 VAL 45 1HG2 VAL 45 3.105 -11.811 1.099 321 2HG2 VAL 45 2HG2 VAL 45 4.076 -10.669 0.171 322 3HG2 VAL 45 3HG2 VAL 45 4.861 -11.970 1.065 323 H THR 46 H THR 46 5.139 -9.213 4.362 324 HA THR 46 HA THR 46 3.385 -7.496 5.575 325 HB THR 46 HB THR 46 4.796 -9.001 6.866 326 HG1 THR 46 HG1 THR 46 4.038 -6.762 7.656 327 1HG2 THR 46 1HG2 THR 46 7.146 -8.547 7.262 328 2HG2 THR 46 2HG2 THR 46 7.071 -7.118 6.232 329 3HG2 THR 46 3HG2 THR 46 6.859 -8.722 5.531 330 H ASP 47 H ASP 47 6.533 -6.717 4.171 331 HA ASP 47 HA ASP 47 6.807 -4.099 5.051 332 1HB ASP 47 1HB ASP 47 8.413 -5.593 3.651 333 2HB ASP 47 2HB ASP 47 7.594 -4.885 2.261 334 H VAL 48 H VAL 48 4.948 -5.386 2.347 335 HA VAL 48 HA VAL 48 4.197 -2.794 1.357 336 HB VAL 48 HB VAL 48 2.593 -5.198 0.657 337 1HG1 VAL 48 1HG1 VAL 48 2.030 -3.917 -1.068 338 2HG1 VAL 48 2HG1 VAL 48 2.986 -2.614 -0.358 339 3HG1 VAL 48 3HG1 VAL 48 3.721 -3.713 -1.526 340 1HG2 VAL 48 1HG2 VAL 48 4.500 -6.409 0.454 341 2HG2 VAL 48 2HG2 VAL 48 4.598 -5.545 -1.080 342 3HG2 VAL 48 3HG2 VAL 48 5.524 -4.981 0.310 343 H THR 49 H THR 49 2.194 -5.465 2.616 344 HA THR 49 HA THR 49 -0.151 -4.118 3.005 345 HB THR 49 HB THR 49 -0.444 -6.331 3.479 346 HG1 THR 49 HG1 THR 49 0.116 -5.622 6.158 347 1HG2 THR 49 1HG2 THR 49 2.302 -6.141 4.512 348 2HG2 THR 49 2HG2 THR 49 1.522 -7.428 3.592 349 3HG2 THR 49 3HG2 THR 49 1.280 -7.318 5.335 350 H THR 50 H THR 50 2.617 -4.252 5.208 351 HA THR 50 HA THR 50 1.444 -2.854 7.348 352 HB THR 50 HB THR 50 4.361 -2.987 6.556 353 HG1 THR 50 HG1 THR 50 2.628 -4.693 7.942 354 1HG2 THR 50 1HG2 THR 50 2.956 -1.672 8.766 355 2HG2 THR 50 2HG2 THR 50 4.588 -1.417 8.150 356 3HG2 THR 50 3HG2 THR 50 4.267 -2.734 9.278 357 H LYS 51 H LYS 51 2.820 -1.783 4.344 358 HA LYS 51 HA LYS 51 3.009 0.983 5.196 359 1HB LYS 51 1HB LYS 51 4.704 0.318 3.679 360 2HB LYS 51 2HB LYS 51 3.544 -0.439 2.595 361 1HG LYS 51 1HG LYS 51 4.411 1.664 1.698 362 2HG LYS 51 2HG LYS 51 2.668 1.730 1.968 363 1HD LYS 51 1HD LYS 51 3.351 3.752 2.845 364 2HD LYS 51 2HD LYS 51 3.349 2.727 4.282 365 1HE LYS 51 1HE LYS 51 5.777 2.334 3.933 366 2HE LYS 51 2HE LYS 51 5.734 3.485 2.598 367 1HZ LYS 51 1HZ LYS 51 6.414 4.262 4.962 368 2HZ LYS 51 2HZ LYS 51 4.747 4.307 5.242 369 3HZ LYS 51 3HZ LYS 51 5.423 5.248 4.010 370 H ALA 52 H ALA 52 1.092 -0.901 2.865 371 HA ALA 52 HA ALA 52 -0.542 1.183 1.969 372 1HB ALA 52 1HB ALA 52 -0.954 -1.789 2.107 373 2HB ALA 52 2HB ALA 52 -2.167 -0.703 1.427 374 3HB ALA 52 3HB ALA 52 -0.560 -0.794 0.704 375 H LYS 53 H LYS 53 -0.973 -1.084 4.660 376 HA LYS 53 HA LYS 53 -3.533 -0.459 5.451 377 1HB LYS 53 1HB LYS 53 -2.812 -1.095 7.746 378 2HB LYS 53 2HB LYS 53 -2.309 -2.243 6.513 379 1HG LYS 53 1HG LYS 53 -0.374 -2.092 7.685 380 2HG LYS 53 2HG LYS 53 -0.115 -0.767 6.548 381 1HD LYS 53 1HD LYS 53 0.420 0.200 8.588 382 2HD LYS 53 2HD LYS 53 -1.261 0.687 8.361 383 1HE LYS 53 1HE LYS 53 -1.116 -0.044 10.593 384 2HE LYS 53 2HE LYS 53 -1.882 -1.368 9.717 385 1HZ LYS 53 1HZ LYS 53 0.459 -1.430 11.247 386 2HZ LYS 53 2HZ LYS 53 0.888 -1.752 9.643 387 3HZ LYS 53 3HZ LYS 53 -0.280 -2.703 10.412 388 H GLN 54 H GLN 54 -0.603 1.396 5.871 389 HA GLN 54 HA GLN 54 -1.677 3.230 7.778 390 1HB GLN 54 1HB GLN 54 0.678 3.603 5.922 391 2HB GLN 54 2HB GLN 54 0.331 4.538 7.370 392 1HG GLN 54 1HG GLN 54 0.609 2.497 8.720 393 2HG GLN 54 2HG GLN 54 1.041 1.616 7.256 394 1HE2 GLN 54 1HE2 GLN 54 2.783 1.612 9.298 395 2HE2 GLN 54 2HE2 GLN 54 4.157 2.594 8.935 396 H LEU 55 H LEU 55 -1.483 3.108 4.278 397 HA LEU 55 HA LEU 55 -2.313 5.809 3.859 398 1HB LEU 55 1HB LEU 55 -2.488 3.491 1.944 399 2HB LEU 55 2HB LEU 55 -2.513 5.205 1.539 400 HG LEU 55 HG LEU 55 -0.146 3.757 2.723 401 1HD1 LEU 55 1HD1 LEU 55 -1.106 4.031 -0.028 402 2HD1 LEU 55 2HD1 LEU 55 0.050 2.894 0.667 403 3HD1 LEU 55 3HD1 LEU 55 0.573 4.515 0.211 404 1HD2 LEU 55 1HD2 LEU 55 1.081 5.770 2.131 405 2HD2 LEU 55 2HD2 LEU 55 -0.241 6.154 3.234 406 3HD2 LEU 55 3HD2 LEU 55 -0.396 6.509 1.512 407 H LYS 56 H LYS 56 -3.937 2.720 4.161 408 HA LYS 56 HA LYS 56 -6.483 3.625 3.248 409 1HB LYS 56 1HB LYS 56 -5.862 1.252 3.216 410 2HB LYS 56 2HB LYS 56 -5.760 1.247 4.972 411 1HG LYS 56 1HG LYS 56 -8.154 1.757 5.104 412 2HG LYS 56 2HG LYS 56 -8.247 1.726 3.341 413 1HD LYS 56 1HD LYS 56 -8.977 -0.400 4.015 414 2HD LYS 56 2HD LYS 56 -7.303 -0.643 3.508 415 1HE LYS 56 1HE LYS 56 -7.588 -1.829 5.545 416 2HE LYS 56 2HE LYS 56 -6.645 -0.388 5.919 417 1HZ LYS 56 1HZ LYS 56 -8.376 -0.772 7.561 418 2HZ LYS 56 2HZ LYS 56 -9.566 -0.698 6.360 419 3HZ LYS 56 3HZ LYS 56 -8.652 0.677 6.731 420 H ASP 57 H ASP 57 -4.859 3.523 6.347 421 HA ASP 57 HA ASP 57 -7.149 4.034 7.949 422 1HB ASP 57 1HB ASP 57 -5.700 4.102 9.738 423 2HB ASP 57 2HB ASP 57 -4.722 3.202 8.582 424 H SER 58 H SER 58 -4.643 6.120 6.556 425 HA SER 58 HA SER 58 -5.275 8.538 7.678 426 1HB SER 58 1HB SER 58 -3.388 8.424 6.232 427 2HB SER 58 2HB SER 58 -4.371 7.879 4.873 428 HG SER 58 HG SER 58 -4.996 10.339 6.035 429 H VAL 59 H VAL 59 -6.671 7.222 4.673 430 HA VAL 59 HA VAL 59 -8.670 9.299 4.573 431 HB VAL 59 HB VAL 59 -9.507 8.159 2.587 432 1HG1 VAL 59 1HG1 VAL 59 -7.515 9.649 2.458 433 2HG1 VAL 59 2HG1 VAL 59 -6.494 8.211 2.535 434 3HG1 VAL 59 3HG1 VAL 59 -7.592 8.442 1.175 435 1HG2 VAL 59 1HG2 VAL 59 -7.783 5.957 3.602 436 2HG2 VAL 59 2HG2 VAL 59 -9.389 5.891 2.877 437 3HG2 VAL 59 3HG2 VAL 59 -7.972 6.140 1.858 438 H THR 60 H THR 60 -11.011 8.579 4.180 439 HA THR 60 HA THR 60 -11.733 6.537 6.181 440 HB THR 60 HB THR 60 -13.648 8.729 5.541 441 HG1 THR 60 HG1 THR 60 -12.562 10.211 6.671 442 1HG2 THR 60 1HG2 THR 60 -13.176 6.742 7.640 443 2HG2 THR 60 2HG2 THR 60 -14.675 7.522 7.134 444 3HG2 THR 60 3HG2 THR 60 -13.587 8.344 8.252 445 H CYS 61 H CYS 61 -12.940 8.249 3.299 446 HA CYS 61 HA CYS 61 -14.269 7.586 1.577 447 1HB CYS 61 1HB CYS 61 -12.342 5.911 1.434 448 2HB CYS 61 2HB CYS 61 -13.424 4.761 2.209 449 HG CYS 61 HG CYS 61 -15.177 4.511 0.176 450 H SER 62 H SER 62 -15.735 8.072 3.733 451 HA SER 62 HA SER 62 -17.255 6.086 4.896 452 1HB SER 62 1HB SER 62 -18.967 7.804 5.277 453 2HB SER 62 2HB SER 62 -17.353 8.453 5.571 454 HG SER 62 HG SER 62 -17.436 9.415 3.512 455 HA PRO 63 HA PRO 63 -19.717 4.340 1.698 456 1HB PRO 63 1HB PRO 63 -21.818 3.462 3.177 457 2HB PRO 63 2HB PRO 63 -20.233 2.681 3.202 458 1HG PRO 63 1HG PRO 63 -21.416 4.628 5.144 459 2HG PRO 63 2HG PRO 63 -20.489 3.151 5.465 460 1HD PRO 63 1HD PRO 63 -19.381 5.619 5.577 461 2HD PRO 63 2HD PRO 63 -18.466 4.184 5.072 462 H GLY 64 H GLY 64 -21.236 6.598 3.958 463 1HA GLY 64 1HA GLY 64 -22.942 7.527 1.736 464 2HA GLY 64 2HA GLY 64 -23.601 7.298 3.349 465 H MET 65 H MET 65 -22.358 9.528 1.235 466 HA MET 65 HA MET 65 -20.750 11.245 2.603 467 1HB MET 65 1HB MET 65 -21.400 11.702 0.328 468 2HB MET 65 2HB MET 65 -23.080 11.918 0.802 469 1HG MET 65 1HG MET 65 -22.349 14.084 0.542 470 2HG MET 65 2HG MET 65 -22.177 13.831 2.277 471 1HE MET 65 1HE MET 65 -20.311 14.101 -1.171 472 2HE MET 65 2HE MET 65 -20.701 15.635 -0.392 473 3HE MET 65 3HE MET 65 -19.016 15.151 -0.594 474 H VAL 66 H VAL 66 -20.868 12.354 4.439 475 HA VAL 66 HA VAL 66 -23.221 12.286 6.056 476 HB VAL 66 HB VAL 66 -20.652 13.829 6.444 477 1HG1 VAL 66 1HG1 VAL 66 -22.972 13.312 8.293 478 2HG1 VAL 66 2HG1 VAL 66 -21.388 13.860 8.845 479 3HG1 VAL 66 3HG1 VAL 66 -22.343 14.869 7.758 480 1HG2 VAL 66 1HG2 VAL 66 -20.680 11.825 8.293 481 2HG2 VAL 66 2HG2 VAL 66 -21.428 11.041 6.901 482 3HG2 VAL 66 3HG2 VAL 66 -19.827 11.764 6.751 483 H SER 67 H SER 67 -24.784 13.368 4.773 484 HA SER 67 HA SER 67 -24.821 16.224 5.211 485 1HB SER 67 1HB SER 67 -25.018 15.157 2.385 486 2HB SER 67 2HB SER 67 -25.166 16.843 2.882 487 HG SER 67 HG SER 67 -23.093 16.878 2.536 488 H GLY 68 H GLY 68 -26.935 17.182 4.502 489 1HA GLY 68 1HA GLY 68 -29.061 15.221 5.023 490 2HA GLY 68 2HA GLY 68 -29.181 16.956 5.280 491 HA PRO 69 HA PRO 69 -31.205 17.437 1.426 492 1HB PRO 69 1HB PRO 69 -30.276 19.850 0.597 493 2HB PRO 69 2HB PRO 69 -31.418 19.668 1.933 494 1HG PRO 69 1HG PRO 69 -28.453 20.067 2.017 495 2HG PRO 69 2HG PRO 69 -29.711 20.822 3.012 496 1HD PRO 69 1HD PRO 69 -28.205 18.750 3.891 497 2HD PRO 69 2HD PRO 69 -29.890 18.989 4.399 498 H SER 70 H SER 70 -30.191 15.711 0.284 499 HA SER 70 HA SER 70 -28.640 16.599 -1.967 500 1HB SER 70 1HB SER 70 -26.768 15.015 -1.609 501 2HB SER 70 2HB SER 70 -26.831 16.261 -0.363 502 HG SER 70 HG SER 70 -28.202 13.875 0.103 503 H SER 71 H SER 71 -28.407 14.940 -3.605 504 HA SER 71 HA SER 71 -30.724 13.414 -3.958 505 1HB SER 71 1HB SER 71 -28.969 14.254 -5.694 506 2HB SER 71 2HB SER 71 -28.159 12.724 -5.361 507 HG SER 71 HG SER 71 -29.884 12.919 -7.120 508 H GLY 72 H GLY 72 -30.809 11.036 -4.310 509 1HA GLY 72 1HA GLY 72 -30.141 8.837 -3.788 510 2HA GLY 72 2HA GLY 72 -28.914 9.489 -2.713 Start of MODEL 20 1 1H GLY 1 1H GLY 1 27.408 2.052 14.300 2 1HA GLY 1 1HA GLY 1 28.546 -0.421 13.395 3 2HA GLY 1 2HA GLY 1 27.928 -0.085 15.005 4 H SER 2 H SER 2 27.261 -2.427 14.561 5 HA SER 2 HA SER 2 24.797 -2.603 12.995 6 1HB SER 2 1HB SER 2 24.994 -5.039 13.355 7 2HB SER 2 2HB SER 2 26.458 -4.366 12.638 8 HG SER 2 HG SER 2 26.123 -4.813 15.418 9 H SER 3 H SER 3 22.983 -2.093 14.018 10 HA SER 3 HA SER 3 22.177 -3.433 16.393 11 1HB SER 3 1HB SER 3 22.160 -1.682 17.974 12 2HB SER 3 2HB SER 3 23.751 -1.572 17.221 13 HG SER 3 HG SER 3 22.779 0.044 15.811 14 H GLY 4 H GLY 4 20.045 -2.393 17.238 15 1HA GLY 4 1HA GLY 4 17.859 -1.868 16.776 16 2HA GLY 4 2HA GLY 4 18.503 -0.707 15.624 17 H SER 5 H SER 5 16.234 -1.653 14.832 18 HA SER 5 HA SER 5 16.748 -3.980 13.114 19 1HB SER 5 1HB SER 5 14.220 -2.731 14.170 20 2HB SER 5 2HB SER 5 14.186 -3.832 12.793 21 HG SER 5 HG SER 5 14.294 -4.438 15.373 22 H SER 6 H SER 6 17.533 -3.387 11.197 23 HA SER 6 HA SER 6 16.019 -1.464 9.612 24 1HB SER 6 1HB SER 6 17.856 -0.088 9.055 25 2HB SER 6 2HB SER 6 17.977 -0.301 10.802 26 HG SER 6 HG SER 6 19.833 -0.797 9.056 27 H GLY 7 H GLY 7 15.924 -1.977 7.482 28 1HA GLY 7 1HA GLY 7 17.879 -3.652 6.211 29 2HA GLY 7 2HA GLY 7 16.385 -4.509 6.560 30 H ALA 8 H ALA 8 14.592 -4.145 5.323 31 HA ALA 8 HA ALA 8 14.766 -3.464 2.709 32 1HB ALA 8 1HB ALA 8 12.224 -2.612 3.270 33 2HB ALA 8 2HB ALA 8 12.704 -4.284 2.978 34 3HB ALA 8 3HB ALA 8 12.579 -3.678 4.630 35 HA PRO 9 HA PRO 9 15.443 0.878 2.428 36 1HB PRO 9 1HB PRO 9 14.514 1.293 -0.089 37 2HB PRO 9 2HB PRO 9 16.051 0.488 0.246 38 1HG PRO 9 1HG PRO 9 13.391 -0.711 -0.419 39 2HG PRO 9 2HG PRO 9 15.000 -1.157 -1.016 40 1HD PRO 9 1HD PRO 9 13.738 -2.539 0.940 41 2HD PRO 9 2HD PRO 9 15.505 -2.372 0.876 42 H GLU 10 H GLU 10 14.357 2.753 2.805 43 HA GLU 10 HA GLU 10 11.766 2.756 3.748 44 1HB GLU 10 1HB GLU 10 11.855 5.262 3.360 45 2HB GLU 10 2HB GLU 10 13.155 4.580 4.329 46 1HG GLU 10 1HG GLU 10 14.386 5.906 2.973 47 2HG GLU 10 2HG GLU 10 14.349 4.456 1.971 48 H TRP 11 H TRP 11 10.139 4.525 2.706 49 HA TRP 11 HA TRP 11 9.466 3.401 0.082 50 1HB TRP 11 1HB TRP 11 7.836 4.687 2.256 51 2HB TRP 11 2HB TRP 11 7.208 4.555 0.616 52 HD1 TRP 11 HD1 TRP 11 8.005 2.464 3.695 53 HE1 TRP 11 HE1 TRP 11 7.007 0.111 3.387 54 HE3 TRP 11 HE3 TRP 11 6.585 2.820 -1.203 55 HZ2 TRP 11 HZ2 TRP 11 5.780 -1.394 1.338 56 HZ3 TRP 11 HZ3 TRP 11 5.507 0.879 -2.262 57 HH2 TRP 11 HH2 TRP 11 5.114 -1.184 -1.016 58 H THR 12 H THR 12 9.819 4.576 -1.672 59 HA THR 12 HA THR 12 9.982 7.506 -1.396 60 HB THR 12 HB THR 12 11.423 7.473 -3.418 61 HG1 THR 12 HG1 THR 12 11.255 4.650 -3.047 62 1HG2 THR 12 1HG2 THR 12 13.315 7.183 -2.196 63 2HG2 THR 12 2HG2 THR 12 12.808 5.608 -1.584 64 3HG2 THR 12 3HG2 THR 12 12.161 7.084 -0.867 65 H GLU 13 H GLU 13 9.133 8.803 -3.086 66 HA GLU 13 HA GLU 13 6.638 8.444 -3.927 67 1HB GLU 13 1HB GLU 13 8.941 9.839 -5.183 68 2HB GLU 13 2HB GLU 13 7.497 9.639 -6.165 69 1HG GLU 13 1HG GLU 13 6.218 10.985 -4.807 70 2HG GLU 13 2HG GLU 13 7.254 10.732 -3.403 71 H GLU 14 H GLU 14 9.460 7.103 -5.586 72 HA GLU 14 HA GLU 14 8.140 6.020 -7.803 73 1HB GLU 14 1HB GLU 14 10.614 6.233 -7.545 74 2HB GLU 14 2HB GLU 14 10.574 4.887 -6.416 75 1HG GLU 14 1HG GLU 14 9.914 3.368 -8.098 76 2HG GLU 14 2HG GLU 14 9.559 4.670 -9.232 77 H ASP 15 H ASP 15 8.912 4.557 -4.659 78 HA ASP 15 HA ASP 15 7.641 2.073 -5.276 79 1HB ASP 15 1HB ASP 15 8.936 3.294 -2.899 80 2HB ASP 15 2HB ASP 15 7.768 2.011 -2.592 81 H LEU 16 H LEU 16 6.689 5.015 -3.589 82 HA LEU 16 HA LEU 16 4.240 4.027 -2.564 83 1HB LEU 16 1HB LEU 16 5.416 6.732 -3.009 84 2HB LEU 16 2HB LEU 16 3.702 6.594 -2.622 85 HG LEU 16 HG LEU 16 5.853 5.407 -0.885 86 1HD1 LEU 16 1HD1 LEU 16 4.927 8.206 -1.124 87 2HD1 LEU 16 2HD1 LEU 16 6.482 7.563 -0.598 88 3HD1 LEU 16 3HD1 LEU 16 5.107 7.556 0.506 89 1HD2 LEU 16 1HD2 LEU 16 2.918 5.733 -0.761 90 2HD2 LEU 16 2HD2 LEU 16 3.809 6.004 0.737 91 3HD2 LEU 16 3HD2 LEU 16 3.950 4.461 -0.107 92 H SER 17 H SER 17 5.156 5.548 -5.595 93 HA SER 17 HA SER 17 2.447 5.841 -6.515 94 1HB SER 17 1HB SER 17 4.664 7.136 -7.204 95 2HB SER 17 2HB SER 17 4.747 5.860 -8.418 96 HG SER 17 HG SER 17 3.144 8.033 -8.327 97 H GLN 18 H GLN 18 5.024 3.492 -6.865 98 HA GLN 18 HA GLN 18 3.914 2.018 -9.000 99 1HB GLN 18 1HB GLN 18 5.943 1.443 -6.876 100 2HB GLN 18 2HB GLN 18 5.350 0.129 -7.883 101 1HG GLN 18 1HG GLN 18 6.294 2.599 -9.226 102 2HG GLN 18 2HG GLN 18 7.496 1.521 -8.519 103 1HE2 GLN 18 1HE2 GLN 18 4.695 1.546 -10.676 104 2HE2 GLN 18 2HE2 GLN 18 5.264 0.291 -11.718 105 H LEU 19 H LEU 19 3.514 1.830 -5.505 106 HA LEU 19 HA LEU 19 2.177 -0.592 -5.297 107 1HB LEU 19 1HB LEU 19 2.917 0.641 -3.358 108 2HB LEU 19 2HB LEU 19 1.793 1.949 -3.722 109 HG LEU 19 HG LEU 19 -0.084 0.366 -3.300 110 1HD1 LEU 19 1HD1 LEU 19 0.508 -1.796 -3.443 111 2HD1 LEU 19 2HD1 LEU 19 0.926 -1.597 -1.742 112 3HD1 LEU 19 3HD1 LEU 19 2.180 -1.480 -2.976 113 1HD2 LEU 19 1HD2 LEU 19 0.329 0.258 -0.798 114 2HD2 LEU 19 2HD2 LEU 19 0.435 1.851 -1.547 115 3HD2 LEU 19 3HD2 LEU 19 1.907 0.972 -1.131 116 H THR 20 H THR 20 0.749 2.652 -5.677 117 HA THR 20 HA THR 20 -1.910 2.030 -5.759 118 HB THR 20 HB THR 20 -0.538 4.019 -7.578 119 HG1 THR 20 HG1 THR 20 -0.401 4.048 -5.067 120 1HG2 THR 20 1HG2 THR 20 -3.167 4.738 -6.618 121 2HG2 THR 20 2HG2 THR 20 -3.211 3.217 -7.510 122 3HG2 THR 20 3HG2 THR 20 -2.557 4.667 -8.271 123 H ARG 21 H ARG 21 0.498 1.417 -8.211 124 HA ARG 21 HA ARG 21 -1.392 0.770 -10.274 125 1HB ARG 21 1HB ARG 21 1.550 0.094 -10.113 126 2HB ARG 21 2HB ARG 21 0.546 0.053 -11.556 127 1HG ARG 21 1HG ARG 21 0.154 2.589 -10.909 128 2HG ARG 21 2HG ARG 21 1.717 2.366 -10.121 129 1HD ARG 21 1HD ARG 21 2.158 3.155 -12.315 130 2HD ARG 21 2HD ARG 21 2.565 1.439 -12.296 131 HE ARG 21 HE ARG 21 -0.105 1.814 -13.154 132 1HH1 ARG 21 1HH1 ARG 21 3.191 2.175 -14.214 133 2HH1 ARG 21 2HH1 ARG 21 2.811 1.970 -15.892 134 1HH2 ARG 21 1HH2 ARG 21 -0.618 1.543 -15.360 135 2HH2 ARG 21 2HH2 ARG 21 0.644 1.612 -16.543 136 H SER 22 H SER 22 0.769 -1.110 -8.166 137 HA SER 22 HA SER 22 0.042 -3.648 -9.112 138 1HB SER 22 1HB SER 22 0.940 -4.476 -6.931 139 2HB SER 22 2HB SER 22 2.029 -3.362 -7.758 140 HG SER 22 HG SER 22 0.903 -1.712 -6.371 141 H MET 23 H MET 23 -1.191 -1.780 -6.349 142 HA MET 23 HA MET 23 -2.955 -3.529 -5.236 143 1HB MET 23 1HB MET 23 -3.410 -0.586 -5.754 144 2HB MET 23 2HB MET 23 -4.348 -1.562 -4.632 145 1HG MET 23 1HG MET 23 -2.289 -2.013 -3.354 146 2HG MET 23 2HG MET 23 -1.408 -0.949 -4.448 147 1HE MET 23 1HE MET 23 -3.059 -1.588 -1.516 148 2HE MET 23 2HE MET 23 -2.761 -0.092 -0.631 149 3HE MET 23 3HE MET 23 -4.361 -0.419 -1.297 150 H VAL 24 H VAL 24 -3.366 -1.722 -8.227 151 HA VAL 24 HA VAL 24 -6.097 -2.368 -8.635 152 HB VAL 24 HB VAL 24 -3.981 -1.621 -10.659 153 1HG1 VAL 24 1HG1 VAL 24 -6.953 -1.351 -11.001 154 2HG1 VAL 24 2HG1 VAL 24 -5.687 -1.240 -12.225 155 3HG1 VAL 24 3HG1 VAL 24 -6.081 -2.800 -11.502 156 1HG2 VAL 24 1HG2 VAL 24 -4.422 0.573 -10.258 157 2HG2 VAL 24 2HG2 VAL 24 -6.090 0.267 -9.777 158 3HG2 VAL 24 3HG2 VAL 24 -4.773 -0.062 -8.651 159 H LYS 25 H LYS 25 -3.070 -3.859 -9.701 160 HA LYS 25 HA LYS 25 -4.284 -5.837 -11.335 161 1HB LYS 25 1HB LYS 25 -1.796 -4.988 -11.195 162 2HB LYS 25 2HB LYS 25 -1.635 -6.283 -10.017 163 1HG LYS 25 1HG LYS 25 -2.255 -7.927 -11.638 164 2HG LYS 25 2HG LYS 25 -2.669 -6.678 -12.815 165 1HD LYS 25 1HD LYS 25 -0.300 -5.943 -12.793 166 2HD LYS 25 2HD LYS 25 0.075 -7.291 -11.717 167 1HE LYS 25 1HE LYS 25 -1.065 -8.715 -13.589 168 2HE LYS 25 2HE LYS 25 -0.704 -7.318 -14.601 169 1HZ LYS 25 1HZ LYS 25 1.566 -7.999 -13.073 170 2HZ LYS 25 2HZ LYS 25 1.390 -7.973 -14.755 171 3HZ LYS 25 3HZ LYS 25 1.012 -9.375 -13.887 172 H PHE 26 H PHE 26 -3.693 -5.570 -7.935 173 HA PHE 26 HA PHE 26 -4.893 -8.224 -7.557 174 1HB PHE 26 1HB PHE 26 -2.718 -7.237 -5.729 175 2HB PHE 26 2HB PHE 26 -3.331 -8.876 -5.927 176 HD1 PHE 26 HD1 PHE 26 -0.722 -6.673 -6.714 177 HD2 PHE 26 HD2 PHE 26 -2.983 -9.902 -8.321 178 HE1 PHE 26 HE1 PHE 26 1.098 -7.155 -8.298 179 HE2 PHE 26 HE2 PHE 26 -1.166 -10.389 -9.907 180 HZ PHE 26 HZ PHE 26 0.878 -9.015 -9.897 181 HA PRO 27 HA PRO 27 -7.237 -5.048 -5.190 182 1HB PRO 27 1HB PRO 27 -9.658 -6.184 -5.658 183 2HB PRO 27 2HB PRO 27 -8.888 -5.064 -6.788 184 1HG PRO 27 1HG PRO 27 -8.979 -8.055 -6.852 185 2HG PRO 27 2HG PRO 27 -9.191 -6.901 -8.181 186 1HD PRO 27 1HD PRO 27 -6.866 -8.222 -7.756 187 2HD PRO 27 2HD PRO 27 -6.922 -6.582 -8.433 188 H GLY 28 H GLY 28 -9.231 -5.663 -3.623 189 1HA GLY 28 1HA GLY 28 -8.076 -7.338 -1.617 190 2HA GLY 28 2HA GLY 28 -9.642 -6.545 -1.534 191 H GLY 29 H GLY 29 -8.861 -9.263 -0.734 192 1HA GLY 29 1HA GLY 29 -10.119 -11.222 -0.659 193 2HA GLY 29 2HA GLY 29 -11.060 -10.640 -2.025 194 H THR 30 H THR 30 -8.195 -10.119 -3.217 195 HA THR 30 HA THR 30 -8.172 -12.495 -4.800 196 HB THR 30 HB THR 30 -6.611 -9.970 -4.740 197 HG1 THR 30 HG1 THR 30 -8.513 -10.729 -6.148 198 1HG2 THR 30 1HG2 THR 30 -5.592 -12.480 -6.077 199 2HG2 THR 30 2HG2 THR 30 -4.821 -11.626 -4.741 200 3HG2 THR 30 3HG2 THR 30 -4.950 -10.857 -6.322 201 HA PRO 31 HA PRO 31 -5.537 -14.993 -2.289 202 1HB PRO 31 1HB PRO 31 -4.783 -16.780 -4.189 203 2HB PRO 31 2HB PRO 31 -6.390 -16.781 -3.454 204 1HG PRO 31 1HG PRO 31 -5.511 -15.655 -6.085 205 2HG PRO 31 2HG PRO 31 -6.970 -16.585 -5.697 206 1HD PRO 31 1HD PRO 31 -6.987 -13.890 -5.960 207 2HD PRO 31 2HD PRO 31 -8.067 -14.747 -4.841 208 H GLY 32 H GLY 32 -3.609 -14.263 -1.639 209 1HA GLY 32 1HA GLY 32 -1.304 -13.998 -1.713 210 2HA GLY 32 2HA GLY 32 -1.340 -14.423 -3.417 211 H ARG 33 H ARG 33 -3.454 -11.933 -2.290 212 HA ARG 33 HA ARG 33 -2.757 -10.019 -4.099 213 1HB ARG 33 1HB ARG 33 -4.710 -9.761 -2.710 214 2HB ARG 33 2HB ARG 33 -3.720 -9.639 -1.262 215 1HG ARG 33 1HG ARG 33 -2.720 -7.552 -2.281 216 2HG ARG 33 2HG ARG 33 -4.009 -7.640 -3.482 217 1HD ARG 33 1HD ARG 33 -5.583 -7.784 -1.439 218 2HD ARG 33 2HD ARG 33 -4.204 -7.166 -0.531 219 HE ARG 33 HE ARG 33 -4.549 -5.502 -2.726 220 1HH1 ARG 33 1HH1 ARG 33 -6.317 -6.436 0.124 221 2HH1 ARG 33 2HH1 ARG 33 -7.156 -4.926 0.257 222 1HH2 ARG 33 1HH2 ARG 33 -5.647 -3.510 -2.561 223 2HH2 ARG 33 2HH2 ARG 33 -6.775 -3.263 -1.272 224 H TRP 34 H TRP 34 -1.778 -9.650 -0.696 225 HA TRP 34 HA TRP 34 0.219 -7.775 -1.163 226 1HB TRP 34 1HB TRP 34 -0.002 -9.805 1.070 227 2HB TRP 34 2HB TRP 34 1.095 -8.426 1.077 228 HD1 TRP 34 HD1 TRP 34 -1.983 -9.323 2.599 229 HE1 TRP 34 HE1 TRP 34 -3.470 -7.287 3.120 230 HE3 TRP 34 HE3 TRP 34 0.308 -5.860 -0.383 231 HZ2 TRP 34 HZ2 TRP 34 -3.648 -4.573 2.367 232 HZ3 TRP 34 HZ3 TRP 34 -0.583 -3.567 -0.426 233 HH2 TRP 34 HH2 TRP 34 -2.520 -2.939 0.921 234 H GLU 35 H GLU 35 0.313 -11.266 -1.353 235 HA GLU 35 HA GLU 35 3.130 -11.556 -1.387 236 1HB GLU 35 1HB GLU 35 0.795 -13.263 -2.060 237 2HB GLU 35 2HB GLU 35 2.343 -13.723 -2.754 238 1HG GLU 35 1HG GLU 35 3.306 -13.699 -0.462 239 2HG GLU 35 2HG GLU 35 1.682 -13.416 0.164 240 H LYS 36 H LYS 36 0.753 -10.830 -3.842 241 HA LYS 36 HA LYS 36 2.614 -11.191 -6.025 242 1HB LYS 36 1HB LYS 36 -0.165 -9.999 -5.980 243 2HB LYS 36 2HB LYS 36 0.765 -10.353 -7.430 244 1HG LYS 36 1HG LYS 36 0.360 -12.572 -7.316 245 2HG LYS 36 2HG LYS 36 0.365 -12.594 -5.551 246 1HD LYS 36 1HD LYS 36 -1.855 -12.054 -5.402 247 2HD LYS 36 2HD LYS 36 -1.854 -11.172 -6.931 248 1HE LYS 36 1HE LYS 36 -1.490 -14.149 -6.837 249 2HE LYS 36 2HE LYS 36 -3.095 -13.420 -6.822 250 1HZ LYS 36 1HZ LYS 36 -1.056 -13.341 -8.955 251 2HZ LYS 36 2HZ LYS 36 -2.283 -12.179 -8.886 252 3HZ LYS 36 3HZ LYS 36 -2.677 -13.815 -9.055 253 H ILE 37 H ILE 37 1.037 -8.474 -4.378 254 HA ILE 37 HA ILE 37 2.064 -6.406 -5.947 255 HB ILE 37 HB ILE 37 1.323 -6.425 -3.022 256 1HG1 ILE 37 1HG1 ILE 37 -0.162 -5.287 -5.396 257 2HG1 ILE 37 2HG1 ILE 37 -0.456 -6.897 -4.747 258 1HG2 ILE 37 1HG2 ILE 37 1.095 -3.826 -3.972 259 2HG2 ILE 37 2HG2 ILE 37 2.317 -4.442 -2.861 260 3HG2 ILE 37 3HG2 ILE 37 2.645 -4.391 -4.593 261 1HD1 ILE 37 1HD1 ILE 37 -1.890 -6.027 -3.315 262 2HD1 ILE 37 2HD1 ILE 37 -0.585 -5.089 -2.587 263 3HD1 ILE 37 3HD1 ILE 37 -1.530 -4.406 -3.910 264 H ALA 38 H ALA 38 3.408 -7.992 -3.079 265 HA ALA 38 HA ALA 38 5.646 -6.329 -2.748 266 1HB ALA 38 1HB ALA 38 5.336 -7.643 -0.911 267 2HB ALA 38 2HB ALA 38 4.902 -9.064 -1.861 268 3HB ALA 38 3HB ALA 38 6.592 -8.578 -1.723 269 H HIS 39 H HIS 39 5.309 -9.418 -4.484 270 HA HIS 39 HA HIS 39 7.951 -9.628 -5.369 271 1HB HIS 39 1HB HIS 39 6.713 -11.575 -5.647 272 2HB HIS 39 2HB HIS 39 5.337 -10.722 -6.342 273 HD1 HIS 39 HD1 HIS 39 8.733 -12.059 -7.247 274 HD2 HIS 39 HD2 HIS 39 5.382 -10.442 -9.096 275 HE1 HIS 39 HE1 HIS 39 9.083 -12.422 -9.711 276 H GLU 40 H GLU 40 5.410 -7.550 -6.384 277 HA GLU 40 HA GLU 40 6.625 -6.966 -8.956 278 1HB GLU 40 1HB GLU 40 4.170 -5.938 -7.542 279 2HB GLU 40 2HB GLU 40 4.750 -5.232 -9.043 280 1HG GLU 40 1HG GLU 40 4.055 -8.139 -8.721 281 2HG GLU 40 2HG GLU 40 2.931 -6.914 -9.305 282 H LEU 41 H LEU 41 6.024 -5.304 -5.878 283 HA LEU 41 HA LEU 41 7.421 -2.932 -6.681 284 1HB LEU 41 1HB LEU 41 6.485 -3.886 -3.980 285 2HB LEU 41 2HB LEU 41 7.185 -2.298 -4.290 286 HG LEU 41 HG LEU 41 4.560 -3.366 -5.318 287 1HD1 LEU 41 1HD1 LEU 41 3.845 -2.540 -3.376 288 2HD1 LEU 41 2HD1 LEU 41 4.158 -0.949 -4.069 289 3HD1 LEU 41 3HD1 LEU 41 5.377 -1.726 -3.058 290 1HD2 LEU 41 1HD2 LEU 41 6.017 -0.810 -5.968 291 2HD2 LEU 41 2HD2 LEU 41 4.307 -1.087 -6.302 292 3HD2 LEU 41 3HD2 LEU 41 5.533 -2.085 -7.087 293 H GLY 42 H GLY 42 8.330 -5.972 -5.406 294 1HA GLY 42 1HA GLY 42 10.499 -6.788 -5.171 295 2HA GLY 42 2HA GLY 42 11.108 -5.150 -5.355 296 H ARG 43 H ARG 43 8.595 -5.677 -3.057 297 HA ARG 43 HA ARG 43 10.574 -5.450 -0.885 298 1HB ARG 43 1HB ARG 43 7.727 -4.431 -0.920 299 2HB ARG 43 2HB ARG 43 8.880 -4.239 0.395 300 1HG ARG 43 1HG ARG 43 10.121 -2.663 -0.744 301 2HG ARG 43 2HG ARG 43 9.535 -3.192 -2.322 302 1HD ARG 43 1HD ARG 43 7.591 -2.005 -2.152 303 2HD ARG 43 2HD ARG 43 7.552 -2.113 -0.393 304 HE ARG 43 HE ARG 43 8.728 -0.036 -1.960 305 1HH1 ARG 43 1HH1 ARG 43 8.964 -1.766 1.051 306 2HH1 ARG 43 2HH1 ARG 43 9.746 -0.465 1.888 307 1HH2 ARG 43 1HH2 ARG 43 9.756 1.684 -0.870 308 2HH2 ARG 43 2HH2 ARG 43 10.195 1.497 0.794 309 H SER 44 H SER 44 9.180 -5.995 1.302 310 HA SER 44 HA SER 44 8.507 -8.813 0.956 311 1HB SER 44 1HB SER 44 9.360 -7.114 3.266 312 2HB SER 44 2HB SER 44 8.470 -8.602 3.588 313 HG SER 44 HG SER 44 10.186 -9.445 1.969 314 H VAL 45 H VAL 45 6.559 -9.712 1.487 315 HA VAL 45 HA VAL 45 4.204 -8.546 1.028 316 HB VAL 45 HB VAL 45 4.824 -10.660 3.076 317 1HG1 VAL 45 1HG1 VAL 45 2.809 -9.486 3.816 318 2HG1 VAL 45 2HG1 VAL 45 2.084 -9.727 2.225 319 3HG1 VAL 45 3HG1 VAL 45 2.436 -11.116 3.254 320 1HG2 VAL 45 1HG2 VAL 45 5.090 -11.679 1.059 321 2HG2 VAL 45 2HG2 VAL 45 3.346 -11.880 1.229 322 3HG2 VAL 45 3HG2 VAL 45 3.990 -10.576 0.231 323 H THR 46 H THR 46 5.028 -9.087 4.444 324 HA THR 46 HA THR 46 3.234 -7.376 5.585 325 HB THR 46 HB THR 46 4.550 -8.815 6.984 326 HG1 THR 46 HG1 THR 46 5.116 -7.305 8.597 327 1HG2 THR 46 1HG2 THR 46 7.004 -7.148 6.705 328 2HG2 THR 46 2HG2 THR 46 6.653 -8.341 5.454 329 3HG2 THR 46 3HG2 THR 46 6.839 -8.851 7.132 330 H ASP 47 H ASP 47 6.437 -6.562 4.323 331 HA ASP 47 HA ASP 47 6.649 -3.942 5.188 332 1HB ASP 47 1HB ASP 47 8.294 -5.437 3.813 333 2HB ASP 47 2HB ASP 47 7.521 -4.692 2.417 334 H VAL 48 H VAL 48 5.011 -5.204 2.310 335 HA VAL 48 HA VAL 48 4.239 -2.655 1.309 336 HB VAL 48 HB VAL 48 2.605 -5.050 0.650 337 1HG1 VAL 48 1HG1 VAL 48 2.045 -3.707 -1.025 338 2HG1 VAL 48 2HG1 VAL 48 3.209 -2.500 -0.475 339 3HG1 VAL 48 3HG1 VAL 48 3.709 -3.758 -1.606 340 1HG2 VAL 48 1HG2 VAL 48 5.534 -4.941 0.432 341 2HG2 VAL 48 2HG2 VAL 48 4.447 -6.329 0.446 342 3HG2 VAL 48 3HG2 VAL 48 4.689 -5.413 -1.042 343 H THR 49 H THR 49 2.182 -5.256 2.630 344 HA THR 49 HA THR 49 -0.148 -3.850 2.937 345 HB THR 49 HB THR 49 -0.513 -6.036 3.459 346 HG1 THR 49 HG1 THR 49 0.072 -5.293 6.126 347 1HG2 THR 49 1HG2 THR 49 1.500 -7.102 3.532 348 2HG2 THR 49 2HG2 THR 49 1.129 -7.136 5.256 349 3HG2 THR 49 3HG2 THR 49 2.216 -5.907 4.612 350 H THR 50 H THR 50 2.636 -3.906 5.101 351 HA THR 50 HA THR 50 1.476 -2.511 7.252 352 HB THR 50 HB THR 50 4.367 -2.648 6.377 353 HG1 THR 50 HG1 THR 50 3.238 -3.975 8.597 354 1HG2 THR 50 1HG2 THR 50 4.426 -2.189 9.054 355 2HG2 THR 50 2HG2 THR 50 3.045 -1.204 8.572 356 3HG2 THR 50 3HG2 THR 50 4.620 -0.939 7.826 357 H LYS 51 H LYS 51 2.779 -1.447 4.209 358 HA LYS 51 HA LYS 51 2.908 1.334 5.015 359 1HB LYS 51 1HB LYS 51 4.584 0.715 3.471 360 2HB LYS 51 2HB LYS 51 3.437 -0.125 2.436 361 1HG LYS 51 1HG LYS 51 4.278 2.063 1.558 362 2HG LYS 51 2HG LYS 51 2.521 1.911 1.645 363 1HD LYS 51 1HD LYS 51 2.922 4.037 2.507 364 2HD LYS 51 2HD LYS 51 2.757 3.038 3.952 365 1HE LYS 51 1HE LYS 51 5.039 3.077 4.390 366 2HE LYS 51 2HE LYS 51 5.449 3.510 2.731 367 1HZ LYS 51 1HZ LYS 51 5.562 5.288 4.588 368 2HZ LYS 51 2HZ LYS 51 3.886 5.380 4.378 369 3HZ LYS 51 3HZ LYS 51 4.920 5.705 3.079 370 H ALA 52 H ALA 52 0.971 -0.646 2.785 371 HA ALA 52 HA ALA 52 -0.730 1.387 1.883 372 1HB ALA 52 1HB ALA 52 -1.038 -1.591 2.075 373 2HB ALA 52 2HB ALA 52 -2.328 -0.565 1.447 374 3HB ALA 52 3HB ALA 52 -0.757 -0.596 0.646 375 H LYS 53 H LYS 53 -1.063 -0.857 4.612 376 HA LYS 53 HA LYS 53 -3.605 -0.281 5.463 377 1HB LYS 53 1HB LYS 53 -2.782 -0.804 7.768 378 2HB LYS 53 2HB LYS 53 -2.330 -1.993 6.553 379 1HG LYS 53 1HG LYS 53 -0.346 -1.782 7.640 380 2HG LYS 53 2HG LYS 53 -0.146 -0.517 6.424 381 1HD LYS 53 1HD LYS 53 0.474 0.572 8.370 382 2HD LYS 53 2HD LYS 53 -1.227 1.018 8.222 383 1HE LYS 53 1HE LYS 53 -0.801 0.394 10.497 384 2HE LYS 53 2HE LYS 53 -1.789 -0.862 9.751 385 1HZ LYS 53 1HZ LYS 53 0.899 -1.527 9.369 386 2HZ LYS 53 2HZ LYS 53 -0.255 -2.337 10.303 387 3HZ LYS 53 3HZ LYS 53 0.702 -1.129 11.001 388 H GLN 54 H GLN 54 -0.694 1.639 5.876 389 HA GLN 54 HA GLN 54 -1.813 3.501 7.713 390 1HB GLN 54 1HB GLN 54 0.530 3.860 5.837 391 2HB GLN 54 2HB GLN 54 0.158 4.862 7.233 392 1HG GLN 54 1HG GLN 54 0.357 2.694 8.589 393 2HG GLN 54 2HG GLN 54 1.152 2.041 7.158 394 1HE2 GLN 54 1HE2 GLN 54 3.261 2.051 7.387 395 2HE2 GLN 54 2HE2 GLN 54 4.204 3.292 8.131 396 H LEU 55 H LEU 55 -1.823 3.193 4.251 397 HA LEU 55 HA LEU 55 -2.733 5.904 3.808 398 1HB LEU 55 1HB LEU 55 -2.736 3.648 1.823 399 2HB LEU 55 2HB LEU 55 -2.719 5.380 1.498 400 HG LEU 55 HG LEU 55 -0.439 3.829 2.723 401 1HD1 LEU 55 1HD1 LEU 55 -0.825 3.172 0.406 402 2HD1 LEU 55 2HD1 LEU 55 0.660 4.109 0.565 403 3HD1 LEU 55 3HD1 LEU 55 -0.794 4.866 -0.086 404 1HD2 LEU 55 1HD2 LEU 55 -0.594 6.661 1.695 405 2HD2 LEU 55 2HD2 LEU 55 0.846 5.859 2.324 406 3HD2 LEU 55 3HD2 LEU 55 -0.521 6.184 3.391 407 H LYS 56 H LYS 56 -4.093 2.651 3.840 408 HA LYS 56 HA LYS 56 -6.709 3.517 3.028 409 1HB LYS 56 1HB LYS 56 -7.378 1.245 3.310 410 2HB LYS 56 2HB LYS 56 -5.766 1.223 2.607 411 1HG LYS 56 1HG LYS 56 -5.493 -0.361 4.208 412 2HG LYS 56 2HG LYS 56 -5.052 1.066 5.148 413 1HD LYS 56 1HD LYS 56 -7.073 1.091 6.293 414 2HD LYS 56 2HD LYS 56 -7.896 0.132 5.061 415 1HE LYS 56 1HE LYS 56 -5.690 -0.933 6.816 416 2HE LYS 56 2HE LYS 56 -7.403 -1.076 7.206 417 1HZ LYS 56 1HZ LYS 56 -6.447 -3.053 6.090 418 2HZ LYS 56 2HZ LYS 56 -6.184 -2.114 4.708 419 3HZ LYS 56 3HZ LYS 56 -7.760 -2.381 5.261 420 H ASP 57 H ASP 57 -5.091 2.788 6.065 421 HA ASP 57 HA ASP 57 -7.464 2.976 7.658 422 1HB ASP 57 1HB ASP 57 -5.443 1.671 8.327 423 2HB ASP 57 2HB ASP 57 -4.582 3.191 8.548 424 H SER 58 H SER 58 -4.694 5.120 7.056 425 HA SER 58 HA SER 58 -5.844 7.258 8.604 426 1HB SER 58 1HB SER 58 -3.336 6.771 8.237 427 2HB SER 58 2HB SER 58 -3.551 7.560 6.675 428 HG SER 58 HG SER 58 -3.725 8.639 9.259 429 H VAL 59 H VAL 59 -7.860 7.542 7.541 430 HA VAL 59 HA VAL 59 -7.744 8.624 4.817 431 HB VAL 59 HB VAL 59 -10.198 8.405 4.814 432 1HG1 VAL 59 1HG1 VAL 59 -8.287 6.337 4.775 433 2HG1 VAL 59 2HG1 VAL 59 -9.699 5.708 5.626 434 3HG1 VAL 59 3HG1 VAL 59 -9.870 6.367 3.999 435 1HG2 VAL 59 1HG2 VAL 59 -11.411 7.452 6.605 436 2HG2 VAL 59 2HG2 VAL 59 -9.938 6.999 7.462 437 3HG2 VAL 59 3HG2 VAL 59 -10.390 8.698 7.322 438 H THR 60 H THR 60 -9.484 10.399 4.449 439 HA THR 60 HA THR 60 -9.101 12.438 6.540 440 HB THR 60 HB THR 60 -9.895 13.221 3.777 441 HG1 THR 60 HG1 THR 60 -7.165 12.800 4.386 442 1HG2 THR 60 1HG2 THR 60 -9.593 15.172 4.846 443 2HG2 THR 60 2HG2 THR 60 -7.870 14.856 4.647 444 3HG2 THR 60 3HG2 THR 60 -8.679 14.418 6.151 445 H CYS 61 H CYS 61 -10.968 11.768 7.706 446 HA CYS 61 HA CYS 61 -13.519 12.368 6.364 447 1HB CYS 61 1HB CYS 61 -12.743 10.374 8.436 448 2HB CYS 61 2HB CYS 61 -14.357 11.068 8.538 449 HG CYS 61 HG CYS 61 -15.316 10.061 6.233 450 H SER 62 H SER 62 -14.980 13.748 7.324 451 HA SER 62 HA SER 62 -13.928 15.316 9.585 452 1HB SER 62 1HB SER 62 -14.088 16.714 7.646 453 2HB SER 62 2HB SER 62 -15.710 16.125 7.281 454 HG SER 62 HG SER 62 -15.250 17.339 9.760 455 HA PRO 63 HA PRO 63 -17.670 13.149 11.205 456 1HB PRO 63 1HB PRO 63 -16.611 12.702 13.665 457 2HB PRO 63 2HB PRO 63 -16.349 11.617 12.295 458 1HG PRO 63 1HG PRO 63 -14.556 13.748 13.393 459 2HG PRO 63 2HG PRO 63 -14.145 12.111 12.848 460 1HD PRO 63 1HD PRO 63 -13.739 14.304 11.312 461 2HD PRO 63 2HD PRO 63 -14.142 12.718 10.624 462 H GLY 64 H GLY 64 -19.025 14.902 11.351 463 1HA GLY 64 1HA GLY 64 -18.430 16.990 13.313 464 2HA GLY 64 2HA GLY 64 -19.698 17.041 12.098 465 H MET 65 H MET 65 -18.886 16.244 15.329 466 HA MET 65 HA MET 65 -21.244 14.694 15.876 467 1HB MET 65 1HB MET 65 -18.913 14.758 17.111 468 2HB MET 65 2HB MET 65 -19.680 16.043 18.035 469 1HG MET 65 1HG MET 65 -21.599 14.327 18.341 470 2HG MET 65 2HG MET 65 -20.372 13.145 17.892 471 1HE MET 65 1HE MET 65 -21.065 12.931 21.714 472 2HE MET 65 2HE MET 65 -21.659 12.514 20.107 473 3HE MET 65 3HE MET 65 -20.125 11.856 20.679 474 H VAL 66 H VAL 66 -20.177 18.013 16.544 475 HA VAL 66 HA VAL 66 -22.995 18.776 16.853 476 HB VAL 66 HB VAL 66 -22.051 18.556 19.114 477 1HG1 VAL 66 1HG1 VAL 66 -20.322 20.894 18.953 478 2HG1 VAL 66 2HG1 VAL 66 -20.043 19.329 19.719 479 3HG1 VAL 66 3HG1 VAL 66 -19.738 19.535 17.993 480 1HG2 VAL 66 1HG2 VAL 66 -23.209 20.337 19.847 481 2HG2 VAL 66 2HG2 VAL 66 -22.240 21.478 18.914 482 3HG2 VAL 66 3HG2 VAL 66 -23.556 20.597 18.137 483 H SER 67 H SER 67 -23.532 20.764 16.044 484 HA SER 67 HA SER 67 -21.622 21.964 14.243 485 1HB SER 67 1HB SER 67 -23.481 23.303 13.454 486 2HB SER 67 2HB SER 67 -24.019 21.633 13.629 487 HG SER 67 HG SER 67 -25.461 23.272 14.511 488 H GLY 68 H GLY 68 -20.260 23.517 14.813 489 1HA GLY 68 1HA GLY 68 -20.649 24.965 17.297 490 2HA GLY 68 2HA GLY 68 -19.238 25.041 16.252 491 HA PRO 69 HA PRO 69 -20.544 28.819 14.460 492 1HB PRO 69 1HB PRO 69 -20.259 28.459 11.784 493 2HB PRO 69 2HB PRO 69 -18.884 28.607 12.885 494 1HG PRO 69 1HG PRO 69 -20.124 26.143 11.721 495 2HG PRO 69 2HG PRO 69 -18.408 26.548 11.915 496 1HD PRO 69 1HD PRO 69 -19.715 24.895 13.615 497 2HD PRO 69 2HD PRO 69 -18.389 25.951 14.141 498 H SER 70 H SER 70 -22.541 29.612 14.385 499 HA SER 70 HA SER 70 -24.518 28.304 12.639 500 1HB SER 70 1HB SER 70 -24.918 29.321 15.457 501 2HB SER 70 2HB SER 70 -26.252 28.949 14.365 502 HG SER 70 HG SER 70 -24.282 27.006 14.713 503 H SER 71 H SER 71 -26.338 29.738 12.043 504 HA SER 71 HA SER 71 -25.434 32.534 11.815 505 1HB SER 71 1HB SER 71 -27.061 30.891 9.862 506 2HB SER 71 2HB SER 71 -26.716 32.611 9.681 507 HG SER 71 HG SER 71 -24.486 32.067 9.641 508 H GLY 72 H GLY 72 -28.411 30.565 11.680 509 1HA GLY 72 1HA GLY 72 -30.204 30.932 13.251 510 2HA GLY 72 2HA GLY 72 -29.716 32.618 13.344
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