NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
476663 | 2l1t | 17105 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 16.476 8.371 11.788 2 HA2 GLY 1 1HA GLY 1 19.362 8.483 11.116 3 HA3 GLY 1 2HA GLY 1 18.667 7.502 12.426 4 H MET 2 H MET 2 20.252 6.369 10.392 5 HA MET 2 HA MET 2 18.763 5.428 8.186 6 HB2 MET 2 1HB MET 2 21.281 5.806 8.497 7 HB3 MET 2 2HB MET 2 21.348 4.207 9.224 8 HG2 MET 2 1HG MET 2 19.987 4.589 6.548 9 HG3 MET 2 2HG MET 2 21.734 4.716 6.623 10 HE1 MET 2 3HE MET 2 22.959 1.133 7.432 11 HE2 MET 2 1HE MET 2 23.414 2.744 6.832 12 HE3 MET 2 2HE MET 2 22.845 2.538 8.508 13 H SER 3 H SER 3 16.894 4.624 9.060 14 HA SER 3 HA SER 3 16.924 1.781 9.881 15 HB2 SER 3 1HB SER 3 15.437 4.031 11.303 16 HB3 SER 3 2HB SER 3 15.325 2.304 11.699 17 HG SER 3 HG SER 3 16.738 3.465 13.075 18 H ALA 4 H ALA 4 16.447 2.751 7.339 19 HA ALA 4 HA ALA 4 15.089 3.225 5.671 20 HB1 ALA 4 1HB ALA 4 13.319 1.595 5.205 21 HB2 ALA 4 2HB ALA 4 14.797 0.803 5.801 22 HB3 ALA 4 3HB ALA 4 13.406 1.026 6.876 23 H ASP 5 H ASP 5 14.896 5.280 6.776 24 HA ASP 5 HA ASP 5 12.542 6.034 8.190 25 HB2 ASP 5 1HB ASP 5 13.471 8.152 8.254 26 HB3 ASP 5 2HB ASP 5 14.871 7.099 8.250 27 H GLY 6 H GLY 6 11.259 7.997 7.404 28 HA2 GLY 6 1HA GLY 6 10.190 7.532 4.651 29 HA3 GLY 6 2HA GLY 6 9.272 8.130 6.044 30 H SER 7 H SER 7 8.733 9.879 4.440 31 HA SER 7 HA SER 7 10.472 12.135 5.161 32 HB2 SER 7 1HB SER 7 9.427 11.936 2.308 33 HB3 SER 7 2HB SER 7 10.496 13.162 3.005 34 HG SER 7 HG SER 7 12.061 11.486 3.274 35 H GLU 8 H GLU 8 7.686 12.001 2.958 36 HA GLU 8 HA GLU 8 6.042 13.404 5.003 37 HB2 GLU 8 1HB GLU 8 6.288 13.543 1.985 38 HB3 GLU 8 2HB GLU 8 5.004 14.338 2.877 39 HG2 GLU 8 1HG GLU 8 6.330 16.046 3.483 40 HG3 GLU 8 2HG GLU 8 7.570 14.990 4.132 41 H TYR 9 H TYR 9 6.337 10.393 4.039 42 HA TYR 9 HA TYR 9 3.860 9.668 2.836 43 HB2 TYR 9 1HB TYR 9 5.636 7.977 4.643 44 HB3 TYR 9 2HB TYR 9 4.438 7.402 3.489 45 HD1 TYR 9 2HD TYR 9 5.466 9.716 1.333 46 HD2 TYR 9 1HD TYR 9 7.299 6.484 3.590 47 HE1 TYR 9 2HE TYR 9 7.160 9.474 -0.419 48 HE2 TYR 9 1HE TYR 9 8.964 6.232 1.734 49 HH TYR 9 HH TYR 9 9.688 6.954 -0.333 50 H GLY 10 H GLY 10 4.847 9.754 6.317 51 HA2 GLY 10 1HA GLY 10 2.277 8.963 7.291 52 HA3 GLY 10 2HA GLY 10 3.601 9.706 8.180 53 H ARG 11 H ARG 11 2.895 11.813 5.548 54 HA ARG 11 HA ARG 11 1.203 13.500 7.213 55 HB2 ARG 11 1HB ARG 11 2.008 13.941 4.349 56 HB3 ARG 11 2HB ARG 11 1.347 15.093 5.472 57 HG2 ARG 11 1HG ARG 11 3.884 14.025 6.510 58 HG3 ARG 11 2HG ARG 11 4.016 14.562 4.858 59 HD2 ARG 11 1HD ARG 11 4.543 16.509 5.791 60 HD3 ARG 11 2HD ARG 11 2.800 16.741 5.722 61 HE ARG 11 HE ARG 11 2.641 16.317 8.049 62 HH11 ARG 11 1HH1 ARG 11 6.091 16.377 7.036 63 HH12 ARG 11 2HH1 ARG 11 6.656 16.342 8.665 64 HH21 ARG 11 1HH2 ARG 11 3.472 16.455 10.143 65 HH22 ARG 11 2HH2 ARG 11 5.173 16.317 10.439 66 H TYR 12 H TYR 12 0.967 10.978 4.802 67 HA TYR 12 HA TYR 12 -1.856 11.677 4.242 68 HB2 TYR 12 1HB TYR 12 -0.130 9.896 2.528 69 HB3 TYR 12 2HB TYR 12 -1.518 10.824 2.066 70 HD1 TYR 12 1HD TYR 12 -0.844 13.604 2.844 71 HD2 TYR 12 2HD TYR 12 1.724 10.482 1.419 72 HE1 TYR 12 1HE TYR 12 0.802 15.309 2.114 73 HE2 TYR 12 2HE TYR 12 3.345 12.180 0.561 74 HH TYR 12 HH TYR 12 2.713 15.678 0.841 75 H PHE 13 H PHE 13 0.420 9.046 4.812 76 HA PHE 13 HA PHE 13 -1.680 6.984 5.131 77 HB2 PHE 13 1HB PHE 13 1.365 6.852 5.297 78 HB3 PHE 13 2HB PHE 13 0.282 5.497 5.518 79 HD1 PHE 13 1HD PHE 13 1.589 7.912 2.974 80 HD2 PHE 13 2HD PHE 13 -0.783 4.379 3.631 81 HE1 PHE 13 1HE PHE 13 1.486 7.500 0.550 82 HE2 PHE 13 2HE PHE 13 -0.984 4.064 1.217 83 HZ PHE 13 HZ PHE 13 0.198 5.628 -0.355 84 H GLU 14 H GLU 14 -1.780 5.843 7.275 85 HA GLU 14 HA GLU 14 -0.452 7.124 9.524 86 HB2 GLU 14 1HB GLU 14 -2.532 8.401 9.194 87 HB3 GLU 14 2HB GLU 14 -3.491 6.938 9.290 88 HG2 GLU 14 1HG GLU 14 -1.691 7.883 11.571 89 HG3 GLU 14 2HG GLU 14 -3.321 8.525 11.334 90 H GLN 15 H GLN 15 -0.710 5.729 11.402 91 HA GLN 15 HA GLN 15 0.151 3.085 10.783 92 HB2 GLN 15 1HB GLN 15 0.718 4.676 12.723 93 HB3 GLN 15 2HB GLN 15 -0.798 4.106 13.453 94 HG2 GLN 15 1HG GLN 15 0.021 2.000 13.862 95 HG3 GLN 15 2HG GLN 15 1.079 2.037 12.467 96 HE21 GLN 15 1HE2 GLN 15 1.153 2.029 15.824 97 HE22 GLN 15 2HE2 GLN 15 2.736 2.734 16.060 98 H LEU 16 H LEU 16 -3.028 4.106 11.162 99 HA LEU 16 HA LEU 16 -3.947 1.295 11.487 100 HB2 LEU 16 1HB LEU 16 -5.042 3.819 12.802 101 HB3 LEU 16 2HB LEU 16 -5.868 2.274 12.723 102 HG LEU 16 HG LEU 16 -3.852 1.219 13.820 103 HD11 LEU 16 1HD1 LEU 16 -2.695 2.894 15.435 104 HD12 LEU 16 2HD1 LEU 16 -2.887 3.923 13.962 105 HD13 LEU 16 3HD1 LEU 16 -2.103 2.307 13.895 106 HD21 LEU 16 3HD2 LEU 16 -4.725 1.874 16.081 107 HD22 LEU 16 1HD2 LEU 16 -6.102 1.930 14.966 108 HD23 LEU 16 2HD2 LEU 16 -5.295 3.423 15.421 109 H GLN 17 H GLN 17 -3.660 3.600 9.242 110 HA GLN 17 HA GLN 17 -6.455 3.801 8.269 111 HB2 GLN 17 1HB GLN 17 -3.852 5.125 7.640 112 HB3 GLN 17 2HB GLN 17 -4.772 4.621 6.219 113 HG2 GLN 17 1HG GLN 17 -6.719 5.860 6.920 114 HG3 GLN 17 2HG GLN 17 -5.934 6.287 8.430 115 HE21 GLN 17 1HE2 GLN 17 -3.815 6.460 5.543 116 HE22 GLN 17 2HE2 GLN 17 -3.881 8.199 5.465 117 H LYS 18 H LYS 18 -6.853 3.044 5.995 118 HA LYS 18 HA LYS 18 -5.291 0.602 5.393 119 HB2 LYS 18 1HB LYS 18 -7.144 -0.419 4.745 120 HB3 LYS 18 2HB LYS 18 -7.432 0.253 6.341 121 HG2 LYS 18 1HG LYS 18 -8.370 1.757 3.969 122 HG3 LYS 18 2HG LYS 18 -9.095 0.203 4.256 123 HD2 LYS 18 1HD LYS 18 -9.487 1.003 6.704 124 HD3 LYS 18 2HD LYS 18 -9.228 2.634 6.094 125 HE2 LYS 18 1HE LYS 18 -11.293 0.640 5.022 126 HE3 LYS 18 2HE LYS 18 -11.641 1.844 6.259 127 HZ1 LYS 18 3HZ LYS 18 -10.745 2.543 3.543 128 HZ2 LYS 18 1HZ LYS 18 -11.211 3.590 4.718 129 HZ3 LYS 18 2HZ LYS 18 -12.292 2.547 4.033 130 H VAL 19 H VAL 19 -5.095 -0.121 3.267 131 HA VAL 19 HA VAL 19 -4.658 2.057 1.232 132 HB VAL 19 HB VAL 19 -2.515 1.130 0.866 133 HG11 VAL 19 1HG1 VAL 19 -2.920 2.046 3.745 134 HG12 VAL 19 2HG1 VAL 19 -1.430 2.150 2.777 135 HG13 VAL 19 3HG1 VAL 19 -2.877 3.067 2.297 136 HG21 VAL 19 3HG2 VAL 19 -1.377 -0.329 2.484 137 HG22 VAL 19 1HG2 VAL 19 -2.878 -0.517 3.417 138 HG23 VAL 19 2HG2 VAL 19 -2.757 -1.173 1.772 139 H ASN 20 H ASN 20 -5.157 1.283 -0.898 140 HA ASN 20 HA ASN 20 -6.136 -1.353 -1.434 141 HB2 ASN 20 1HB ASN 20 -6.449 0.762 -2.879 142 HB3 ASN 20 2HB ASN 20 -4.754 0.602 -3.341 143 HD21 ASN 20 1HD2 ASN 20 -7.729 -1.443 -3.067 144 HD22 ASN 20 2HD2 ASN 20 -7.458 -2.245 -4.577 145 H LEU 21 H LEU 21 -4.922 -2.845 -2.937 146 HA LEU 21 HA LEU 21 -2.012 -3.081 -2.323 147 HB2 LEU 21 1HB LEU 21 -4.154 -5.219 -2.133 148 HB3 LEU 21 2HB LEU 21 -2.446 -5.420 -1.710 149 HG LEU 21 HG LEU 21 -4.538 -3.779 -0.251 150 HD11 LEU 21 1HD1 LEU 21 -4.992 -6.182 -0.171 151 HD12 LEU 21 2HD1 LEU 21 -4.386 -5.662 1.399 152 HD13 LEU 21 3HD1 LEU 21 -3.330 -6.528 0.274 153 HD21 LEU 21 3HD2 LEU 21 -2.144 -2.967 0.086 154 HD22 LEU 21 1HD2 LEU 21 -1.718 -4.589 0.642 155 HD23 LEU 21 2HD2 LEU 21 -2.883 -3.599 1.555 156 H THR 22 H THR 22 -2.693 -2.206 -4.918 157 HA THR 22 HA THR 22 -3.611 -4.267 -6.701 158 HB THR 22 HB THR 22 -1.671 -2.114 -7.528 159 HG1 THR 22 1HG THR 22 -4.129 -1.615 -6.386 160 HG21 THR 22 3HG2 THR 22 -2.622 -3.788 -9.177 161 HG22 THR 22 1HG2 THR 22 -2.874 -2.092 -9.593 162 HG23 THR 22 2HG2 THR 22 -4.199 -3.027 -8.907 163 H VAL 23 H VAL 23 -2.427 -6.404 -6.640 164 HA VAL 23 HA VAL 23 0.534 -6.151 -6.658 165 HB VAL 23 HB VAL 23 -1.341 -8.525 -6.335 166 HG11 VAL 23 1HG1 VAL 23 0.705 -9.815 -5.755 167 HG12 VAL 23 2HG1 VAL 23 0.701 -9.265 -7.433 168 HG13 VAL 23 3HG1 VAL 23 1.700 -8.425 -6.234 169 HG21 VAL 23 3HG2 VAL 23 0.556 -7.990 -4.131 170 HG22 VAL 23 1HG2 VAL 23 -0.638 -6.695 -4.344 171 HG23 VAL 23 2HG2 VAL 23 -1.169 -8.369 -4.090 172 H ARG 24 H ARG 24 1.511 -6.085 -8.670 173 HA ARG 24 HA ARG 24 0.190 -6.851 -11.133 174 HB2 ARG 24 1HB ARG 24 2.204 -5.371 -11.167 175 HB3 ARG 24 2HB ARG 24 3.080 -6.598 -10.270 176 HG2 ARG 24 1HG ARG 24 2.780 -8.188 -12.184 177 HG3 ARG 24 2HG ARG 24 2.181 -6.855 -13.156 178 HD2 ARG 24 1HD ARG 24 4.880 -6.877 -11.726 179 HD3 ARG 24 2HD ARG 24 4.663 -7.595 -13.310 180 HE ARG 24 HE ARG 24 4.524 -4.713 -12.584 181 HH11 ARG 24 1HH1 ARG 24 4.692 -7.143 -15.212 182 HH12 ARG 24 2HH1 ARG 24 5.441 -6.063 -16.312 183 HH21 ARG 24 1HH2 ARG 24 5.483 -3.304 -14.070 184 HH22 ARG 24 2HH2 ARG 24 5.835 -3.847 -15.699 185 H LEU 25 H LEU 25 -0.412 -9.002 -11.531 186 HA LEU 25 HA LEU 25 1.294 -11.168 -10.350 187 HB2 LEU 25 1HB LEU 25 -1.539 -10.948 -11.294 188 HB3 LEU 25 2HB LEU 25 -0.818 -12.479 -11.275 189 HG LEU 25 HG LEU 25 -1.509 -10.612 -8.966 190 HD11 LEU 25 1HD1 LEU 25 -2.112 -13.554 -9.491 191 HD12 LEU 25 2HD1 LEU 25 -3.223 -12.185 -9.767 192 HD13 LEU 25 3HD1 LEU 25 -2.704 -12.625 -8.124 193 HD21 LEU 25 3HD2 LEU 25 -0.454 -12.236 -7.390 194 HD22 LEU 25 1HD2 LEU 25 0.722 -11.332 -8.325 195 HD23 LEU 25 2HD2 LEU 25 0.353 -13.004 -8.786 196 H GLY 26 H GLY 26 2.955 -11.018 -11.794 197 HA2 GLY 26 1HA GLY 26 2.531 -10.378 -14.526 198 HA3 GLY 26 2HA GLY 26 4.050 -11.063 -13.893 199 H ASP 27 H ASP 27 2.558 -13.501 -12.916 200 HA ASP 27 HA ASP 27 2.378 -14.939 -15.474 201 HB2 ASP 27 1HB ASP 27 2.586 -15.737 -12.550 202 HB3 ASP 27 2HB ASP 27 2.214 -16.923 -13.809 203 H THR 28 H THR 28 0.139 -13.464 -13.394 204 HA THR 28 HA THR 28 -1.981 -15.406 -14.171 205 HB THR 28 HB THR 28 -2.369 -13.987 -11.640 206 HG1 THR 28 1HG THR 28 -0.458 -16.004 -11.343 207 HG21 THR 28 3HG2 THR 28 -2.895 -16.249 -10.815 208 HG22 THR 28 1HG2 THR 28 -2.382 -16.924 -12.382 209 HG23 THR 28 2HG2 THR 28 -3.782 -15.836 -12.289 210 H GLY 29 H GLY 29 -1.364 -11.963 -13.319 211 HA2 GLY 29 1HA GLY 29 -2.983 -10.629 -14.983 212 HA3 GLY 29 2HA GLY 29 -4.117 -11.212 -13.712 213 H SER 30 H SER 30 -4.567 -9.751 -12.185 214 HA SER 30 HA SER 30 -2.271 -8.748 -10.762 215 HB2 SER 30 1HB SER 30 -4.533 -6.816 -11.078 216 HB3 SER 30 2HB SER 30 -2.852 -6.508 -10.672 217 HG SER 30 HG SER 30 -2.358 -6.366 -12.759 218 H PHE 31 H PHE 31 -3.159 -8.019 -8.472 219 HA PHE 31 HA PHE 31 -5.697 -9.317 -7.761 220 HB2 PHE 31 1HB PHE 31 -4.087 -11.069 -7.437 221 HB3 PHE 31 2HB PHE 31 -3.107 -10.091 -6.372 222 HD1 PHE 31 2HD PHE 31 -6.415 -11.838 -6.748 223 HD2 PHE 31 1HD PHE 31 -3.775 -9.695 -4.111 224 HE1 PHE 31 2HE PHE 31 -7.955 -12.280 -4.850 225 HE2 PHE 31 1HE PHE 31 -5.392 -10.008 -2.232 226 HZ PHE 31 HZ PHE 31 -7.472 -11.346 -2.609 227 H ASP 32 H ASP 32 -6.667 -7.723 -6.890 228 HA ASP 32 HA ASP 32 -5.043 -5.482 -5.755 229 HB2 ASP 32 1HB ASP 32 -7.530 -5.356 -7.482 230 HB3 ASP 32 2HB ASP 32 -6.558 -3.989 -6.949 231 H GLY 33 H GLY 33 -5.411 -5.838 -3.597 232 HA2 GLY 33 1HA GLY 33 -8.186 -6.288 -2.628 233 HA3 GLY 33 2HA GLY 33 -6.677 -6.870 -1.920 234 H THR 34 H THR 34 -7.774 -5.895 0.063 235 HA THR 34 HA THR 34 -6.801 -3.116 0.410 236 HB THR 34 HB THR 34 -8.962 -3.268 2.154 237 HG1 THR 34 1HG THR 34 -9.801 -5.067 0.893 238 HG21 THR 34 3HG2 THR 34 -8.259 -1.298 0.912 239 HG22 THR 34 1HG2 THR 34 -10.007 -1.584 0.748 240 HG23 THR 34 2HG2 THR 34 -8.911 -1.995 -0.598 241 H ALA 35 H ALA 35 -5.851 -2.737 2.474 242 HA ALA 35 HA ALA 35 -6.295 -4.742 4.528 243 HB1 ALA 35 1HB ALA 35 -4.193 -5.639 3.535 244 HB2 ALA 35 2HB ALA 35 -3.460 -4.032 3.649 245 HB3 ALA 35 3HB ALA 35 -3.899 -4.912 5.121 246 H ALA 36 H ALA 36 -6.009 -3.852 6.622 247 HA ALA 36 HA ALA 36 -5.694 -0.918 6.756 248 HB1 ALA 36 1HB ALA 36 -6.121 -1.231 9.139 249 HB2 ALA 36 2HB ALA 36 -7.378 -2.068 8.198 250 HB3 ALA 36 3HB ALA 36 -6.064 -2.994 8.967 251 H ILE 37 H ILE 37 -3.904 -0.000 7.886 252 HA ILE 37 HA ILE 37 -1.405 -1.493 8.078 253 HB ILE 37 HB ILE 37 -2.159 1.409 8.684 254 HG12 ILE 37 1HG1 ILE 37 -0.612 0.202 6.370 255 HG13 ILE 37 2HG1 ILE 37 -2.271 0.688 6.218 256 HG21 ILE 37 1HG2 ILE 37 0.239 1.901 8.722 257 HG22 ILE 37 2HG2 ILE 37 -0.100 0.736 9.945 258 HG23 ILE 37 3HG2 ILE 37 0.630 0.171 8.450 259 HD11 ILE 37 3HD1 ILE 37 0.096 2.546 6.665 260 HD12 ILE 37 1HD1 ILE 37 -0.869 2.347 5.206 261 HD13 ILE 37 2HD1 ILE 37 -1.617 3.037 6.657 262 H THR 38 H THR 38 -0.303 -1.480 10.053 263 HA THR 38 HA THR 38 -1.848 -1.307 12.546 264 HB THR 38 HB THR 38 -0.577 -3.461 13.274 265 HG1 THR 38 1HG THR 38 -0.200 -3.538 10.486 266 HG21 THR 38 3HG2 THR 38 -2.574 -3.814 11.003 267 HG22 THR 38 1HG2 THR 38 -3.021 -3.437 12.675 268 HG23 THR 38 2HG2 THR 38 -2.215 -4.977 12.290 269 H SER 39 H SER 39 1.254 -1.183 10.893 270 HA SER 39 HA SER 39 2.422 0.443 13.056 271 HB2 SER 39 1HB SER 39 3.782 -1.931 11.744 272 HB3 SER 39 2HB SER 39 4.457 -0.872 12.992 273 HG SER 39 HG SER 39 3.584 -2.952 13.732 274 H LEU 40 H LEU 40 3.498 2.215 12.030 275 HA LEU 40 HA LEU 40 4.364 1.994 9.216 276 HB2 LEU 40 1HB LEU 40 2.120 3.196 9.156 277 HB3 LEU 40 2HB LEU 40 2.718 4.259 10.412 278 HG LEU 40 HG LEU 40 4.600 4.913 8.677 279 HD11 LEU 40 1HD1 LEU 40 4.024 3.143 7.027 280 HD12 LEU 40 2HD1 LEU 40 3.917 4.766 6.339 281 HD13 LEU 40 3HD1 LEU 40 2.430 3.903 6.785 282 HD21 LEU 40 3HD2 LEU 40 1.726 5.821 8.246 283 HD22 LEU 40 1HD2 LEU 40 3.197 6.667 7.718 284 HD23 LEU 40 2HD2 LEU 40 2.869 6.465 9.440 285 H LYS 41 H LYS 41 6.304 2.487 9.009 286 HA LYS 41 HA LYS 41 7.681 4.233 10.939 287 HB2 LYS 41 1HB LYS 41 9.440 2.402 10.896 288 HB3 LYS 41 2HB LYS 41 8.084 2.219 11.987 289 HG2 LYS 41 1HG LYS 41 7.475 0.824 9.518 290 HG3 LYS 41 2HG LYS 41 9.118 0.423 9.978 291 HD2 LYS 41 1HD LYS 41 6.669 0.142 11.777 292 HD3 LYS 41 2HD LYS 41 7.402 -1.150 10.814 293 HE2 LYS 41 1HE LYS 41 9.603 -0.619 12.057 294 HE3 LYS 41 2HE LYS 41 8.609 0.309 13.194 295 HZ1 LYS 41 3HZ LYS 41 8.315 -2.575 12.570 296 HZ2 LYS 41 1HZ LYS 41 7.377 -1.720 13.662 297 HZ3 LYS 41 2HZ LYS 41 8.979 -1.949 13.913 298 H GLY 42 H GLY 42 7.570 5.725 9.231 299 HA2 GLY 42 1HA GLY 42 8.513 6.862 7.565 300 HA3 GLY 42 2HA GLY 42 9.854 5.696 7.611 301 H SER 43 H SER 43 10.189 4.692 5.684 302 HA SER 43 HA SER 43 8.171 4.672 3.499 303 HB2 SER 43 1HB SER 43 9.962 3.450 2.337 304 HB3 SER 43 2HB SER 43 10.328 5.101 2.792 305 HG SER 43 HG SER 43 11.647 4.458 4.422 306 H LEU 44 H LEU 44 8.465 2.869 6.200 307 HA LEU 44 HA LEU 44 7.554 0.394 4.802 308 HB2 LEU 44 1HB LEU 44 9.652 0.423 6.305 309 HB3 LEU 44 2HB LEU 44 8.556 0.564 7.639 310 HG LEU 44 HG LEU 44 7.370 -1.569 6.688 311 HD11 LEU 44 1HD1 LEU 44 8.988 -3.083 5.448 312 HD12 LEU 44 2HD1 LEU 44 10.045 -1.686 5.221 313 HD13 LEU 44 3HD1 LEU 44 8.427 -1.703 4.493 314 HD21 LEU 44 3HD2 LEU 44 10.157 -1.769 7.865 315 HD22 LEU 44 1HD2 LEU 44 8.955 -3.066 7.806 316 HD23 LEU 44 2HD2 LEU 44 8.637 -1.612 8.763 317 H ALA 45 H ALA 45 5.562 -0.493 5.336 318 HA ALA 45 HA ALA 45 4.224 0.375 7.816 319 HB1 ALA 45 1HB ALA 45 2.087 0.514 6.814 320 HB2 ALA 45 2HB ALA 45 3.129 1.495 5.776 321 HB3 ALA 45 3HB ALA 45 2.651 -0.129 5.268 322 H TRP 46 H TRP 46 2.633 -1.395 8.382 323 HA TRP 46 HA TRP 46 3.151 -4.094 7.243 324 HB2 TRP 46 1HB TRP 46 3.438 -3.221 10.106 325 HB3 TRP 46 2HB TRP 46 2.752 -4.778 9.801 326 HD1 TRP 46 HD TRP 46 6.009 -2.846 9.256 327 HE1 TRP 46 1HE TRP 46 7.954 -4.525 8.841 328 HE3 TRP 46 3HE TRP 46 3.293 -7.137 8.704 329 HZ2 TRP 46 2HZ TRP 46 8.233 -7.308 8.155 330 HZ3 TRP 46 3HZ TRP 46 4.391 -9.237 8.040 331 HH2 TRP 46 HH TRP 46 6.868 -9.340 7.757 332 H LEU 47 H LEU 47 1.396 -5.318 7.045 333 HA LEU 47 HA LEU 47 -1.201 -3.951 7.422 334 HB2 LEU 47 1HB LEU 47 0.012 -5.599 5.152 335 HB3 LEU 47 2HB LEU 47 -1.634 -5.008 5.145 336 HG LEU 47 HG LEU 47 0.814 -3.184 5.254 337 HD11 LEU 47 1HD1 LEU 47 -0.892 -4.159 2.949 338 HD12 LEU 47 2HD1 LEU 47 0.866 -4.337 3.196 339 HD13 LEU 47 3HD1 LEU 47 0.171 -2.741 2.861 340 HD21 LEU 47 3HD2 LEU 47 -0.726 -1.406 4.628 341 HD22 LEU 47 1HD2 LEU 47 -1.270 -2.153 6.128 342 HD23 LEU 47 2HD2 LEU 47 -2.101 -2.532 4.620 343 H GLU 48 H GLU 48 -3.056 -5.300 7.367 344 HA GLU 48 HA GLU 48 -2.701 -8.207 8.040 345 HB2 GLU 48 1HB GLU 48 -4.270 -7.850 9.916 346 HB3 GLU 48 2HB GLU 48 -2.874 -6.791 10.098 347 HG2 GLU 48 1HG GLU 48 -4.094 -4.853 9.540 348 HG3 GLU 48 2HG GLU 48 -5.337 -5.743 8.684 349 H LEU 49 H LEU 49 -3.674 -7.199 5.494 350 HA LEU 49 HA LEU 49 -5.501 -7.183 4.091 351 HB2 LEU 49 1HB LEU 49 -5.598 -9.776 5.553 352 HB3 LEU 49 2HB LEU 49 -7.046 -9.364 4.731 353 HG LEU 49 HG LEU 49 -4.301 -9.728 3.551 354 HD11 LEU 49 1HD1 LEU 49 -6.959 -11.050 2.800 355 HD12 LEU 49 2HD1 LEU 49 -5.880 -11.711 4.027 356 HD13 LEU 49 3HD1 LEU 49 -5.317 -11.569 2.356 357 HD21 LEU 49 3HD2 LEU 49 -5.033 -7.975 2.144 358 HD22 LEU 49 1HD2 LEU 49 -6.729 -8.476 2.230 359 HD23 LEU 49 2HD2 LEU 49 -5.555 -9.425 1.280 360 H PHE 50 H PHE 50 -8.112 -7.672 4.130 361 HA PHE 50 HA PHE 50 -9.255 -6.136 6.425 362 HB2 PHE 50 1HB PHE 50 -9.133 -5.288 3.733 363 HB3 PHE 50 2HB PHE 50 -10.767 -5.871 3.914 364 HD1 PHE 50 1HD PHE 50 -12.276 -4.770 5.676 365 HD2 PHE 50 2HD PHE 50 -8.281 -3.439 4.827 366 HE1 PHE 50 1HE PHE 50 -12.731 -2.648 6.898 367 HE2 PHE 50 2HE PHE 50 -8.724 -1.376 6.146 368 HZ PHE 50 HZ PHE 50 -10.939 -0.976 7.180 369 H GLY 51 H GLY 51 -9.387 -9.132 4.725 370 HA2 GLY 51 1HA GLY 51 -11.824 -10.052 5.908 371 HA3 GLY 51 2HA GLY 51 -12.106 -9.424 4.280 372 H ALA 52 H ALA 52 -12.709 -11.916 4.351 373 HA ALA 52 HA ALA 52 -10.563 -13.830 4.209 374 HB1 ALA 52 1HB ALA 52 -13.453 -14.063 3.269 375 HB2 ALA 52 2HB ALA 52 -12.337 -15.391 3.641 376 HB3 ALA 52 3HB ALA 52 -12.905 -14.328 4.941 377 H GLU 53 H GLU 53 -11.548 -11.513 1.868 378 HA GLU 53 HA GLU 53 -10.969 -13.143 -0.505 379 HB2 GLU 53 1HB GLU 53 -11.727 -10.282 0.057 380 HB3 GLU 53 2HB GLU 53 -10.874 -10.657 -1.440 381 HG2 GLU 53 1HG GLU 53 -12.500 -12.380 -2.038 382 HG3 GLU 53 2HG GLU 53 -13.311 -12.193 -0.478 383 H GLN 54 H GLN 54 -9.010 -14.026 -0.351 384 HA GLN 54 HA GLN 54 -6.634 -12.323 0.096 385 HB2 GLN 54 1HB GLN 54 -5.702 -14.141 1.468 386 HB3 GLN 54 2HB GLN 54 -7.216 -13.547 2.144 387 HG2 GLN 54 1HG GLN 54 -8.407 -15.526 1.189 388 HG3 GLN 54 2HG GLN 54 -6.891 -16.097 0.508 389 HE21 GLN 54 1HE2 GLN 54 -6.920 -14.649 3.804 390 HE22 GLN 54 2HE2 GLN 54 -6.551 -16.169 4.561 391 HA PRO 55 HA PRO 55 -5.400 -14.018 -3.720 392 HB2 PRO 55 1HB PRO 55 -2.638 -14.224 -3.542 393 HB3 PRO 55 2HB PRO 55 -3.559 -12.697 -3.634 394 HG2 PRO 55 1HG PRO 55 -2.455 -14.094 -1.193 395 HG3 PRO 55 2HG PRO 55 -2.386 -12.352 -1.640 396 HD2 PRO 55 1HD PRO 55 -4.216 -13.321 0.112 397 HD3 PRO 55 2HD PRO 55 -4.601 -11.985 -1.012 398 HA PRO 56 HA PRO 56 -4.584 -18.456 -3.794 399 HB2 PRO 56 1HB PRO 56 -2.722 -18.587 -5.948 400 HB3 PRO 56 2HB PRO 56 -4.492 -18.720 -6.055 401 HG2 PRO 56 1HG PRO 56 -2.764 -16.464 -6.766 402 HG3 PRO 56 2HG PRO 56 -4.428 -16.809 -7.289 403 HD2 PRO 56 1HD PRO 56 -3.597 -14.890 -5.403 404 HD3 PRO 56 2HD PRO 56 -5.267 -15.432 -5.665 405 HA PRO 57 HA PRO 57 -0.703 -18.978 -1.551 406 HB2 PRO 57 1HB PRO 57 -0.107 -21.610 -1.927 407 HB3 PRO 57 2HB PRO 57 -1.572 -21.121 -1.021 408 HG2 PRO 57 1HG PRO 57 -1.403 -21.834 -3.969 409 HG3 PRO 57 2HG PRO 57 -2.477 -22.546 -2.727 410 HD2 PRO 57 1HD PRO 57 -3.318 -20.517 -4.317 411 HD3 PRO 57 2HD PRO 57 -3.778 -20.548 -2.587 412 H ASN 58 H ASN 58 1.646 -19.686 -2.020 413 HA ASN 58 HA ASN 58 3.533 -19.390 -3.164 414 HB2 ASN 58 1HB ASN 58 4.004 -20.696 -5.010 415 HB3 ASN 58 2HB ASN 58 2.856 -21.607 -4.046 416 HD21 ASN 58 1HD2 ASN 58 1.038 -22.442 -5.178 417 HD22 ASN 58 2HD2 ASN 58 0.602 -21.886 -6.769 418 H THR 59 H THR 59 1.066 -17.458 -4.018 419 HA THR 59 HA THR 59 2.215 -16.476 -6.510 420 HB THR 59 HB THR 59 -0.413 -15.829 -5.115 421 HG1 THR 59 1HG THR 59 -0.201 -18.059 -5.654 422 HG21 THR 59 3HG2 THR 59 0.513 -15.524 -8.008 423 HG22 THR 59 1HG2 THR 59 0.204 -14.224 -6.829 424 HG23 THR 59 2HG2 THR 59 -1.138 -15.240 -7.409 425 H LEU 60 H LEU 60 1.410 -15.109 -3.234 426 HA LEU 60 HA LEU 60 2.486 -12.479 -3.883 427 HB2 LEU 60 1HB LEU 60 1.663 -13.914 -1.353 428 HB3 LEU 60 2HB LEU 60 2.696 -12.493 -1.252 429 HG LEU 60 HG LEU 60 0.005 -12.502 -2.658 430 HD11 LEU 60 1HD1 LEU 60 -0.301 -12.863 -0.267 431 HD12 LEU 60 2HD1 LEU 60 -0.745 -11.186 -0.667 432 HD13 LEU 60 3HD1 LEU 60 0.795 -11.524 0.112 433 HD21 LEU 60 3HD2 LEU 60 1.466 -10.691 -3.514 434 HD22 LEU 60 1HD2 LEU 60 1.856 -10.198 -1.850 435 HD23 LEU 60 2HD2 LEU 60 0.207 -10.026 -2.500 436 H SER 61 H SER 61 4.612 -11.747 -3.502 437 HA SER 61 HA SER 61 6.460 -13.564 -2.163 438 HB2 SER 61 1HB SER 61 7.090 -12.223 -4.791 439 HB3 SER 61 2HB SER 61 8.180 -13.183 -3.794 440 HG SER 61 HG SER 61 5.794 -14.169 -4.994 441 H GLU 62 H GLU 62 8.478 -12.402 -1.641 442 HA GLU 62 HA GLU 62 7.668 -10.129 -0.129 443 HB2 GLU 62 1HB GLU 62 10.445 -11.295 -0.461 444 HB3 GLU 62 2HB GLU 62 9.920 -10.237 0.850 445 HG2 GLU 62 1HG GLU 62 8.358 -11.999 1.607 446 HG3 GLU 62 2HG GLU 62 8.842 -13.036 0.313 447 H GLY 63 H GLY 63 8.594 -10.060 -3.261 448 HA2 GLY 63 1HA GLY 63 9.526 -7.274 -3.151 449 HA3 GLY 63 2HA GLY 63 10.530 -8.431 -4.037 450 H ALA 64 H ALA 64 6.981 -8.682 -3.745 451 HA ALA 64 HA ALA 64 6.568 -8.459 -6.630 452 HB1 ALA 64 1HB ALA 64 5.059 -9.867 -5.239 453 HB2 ALA 64 2HB ALA 64 4.658 -8.462 -4.238 454 HB3 ALA 64 3HB ALA 64 4.160 -8.499 -5.936 455 H GLU 65 H GLU 65 5.928 -6.594 -7.664 456 HA GLU 65 HA GLU 65 6.253 -4.052 -6.237 457 HB2 GLU 65 1HB GLU 65 5.816 -3.030 -8.415 458 HB3 GLU 65 2HB GLU 65 7.212 -4.117 -8.441 459 HG2 GLU 65 1HG GLU 65 5.937 -5.842 -9.571 460 HG3 GLU 65 2HG GLU 65 4.474 -4.879 -9.497 461 H VAL 66 H VAL 66 4.538 -3.144 -5.376 462 HA VAL 66 HA VAL 66 1.842 -3.990 -6.130 463 HB VAL 66 HB VAL 66 1.107 -4.287 -3.833 464 HG11 VAL 66 1HG1 VAL 66 3.552 -6.026 -4.365 465 HG12 VAL 66 2HG1 VAL 66 2.161 -6.435 -3.343 466 HG13 VAL 66 3HG1 VAL 66 1.969 -6.256 -5.098 467 HG21 VAL 66 3HG2 VAL 66 2.687 -2.845 -2.602 468 HG22 VAL 66 1HG2 VAL 66 2.692 -4.490 -1.947 469 HG23 VAL 66 2HG2 VAL 66 4.023 -3.955 -2.993 470 H SER 67 H SER 67 0.290 -2.296 -5.762 471 HA SER 67 HA SER 67 1.569 0.316 -5.063 472 HB2 SER 67 1HB SER 67 1.345 -0.023 -7.413 473 HB3 SER 67 2HB SER 67 -0.427 -0.123 -7.292 474 HG SER 67 HG SER 67 1.266 1.989 -7.430 475 H VAL 68 H VAL 68 0.514 1.636 -3.948 476 HA VAL 68 HA VAL 68 -1.670 0.485 -2.293 477 HB VAL 68 HB VAL 68 -0.861 1.680 -0.534 478 HG11 VAL 68 1HG1 VAL 68 1.459 1.183 -0.181 479 HG12 VAL 68 2HG1 VAL 68 0.721 -0.161 -1.105 480 HG13 VAL 68 3HG1 VAL 68 1.746 1.051 -1.922 481 HG21 VAL 68 3HG2 VAL 68 -0.862 3.738 -1.046 482 HG22 VAL 68 1HG2 VAL 68 0.784 3.385 -0.442 483 HG23 VAL 68 2HG2 VAL 68 0.529 3.576 -2.180 484 H SER 69 H SER 69 -3.411 1.967 -1.677 485 HA SER 69 HA SER 69 -3.171 4.714 -2.562 486 HB2 SER 69 1HB SER 69 -4.897 4.845 -4.100 487 HB3 SER 69 2HB SER 69 -4.089 3.370 -4.550 488 HG SER 69 HG SER 69 -6.550 3.558 -3.152 489 H VAL 70 H VAL 70 -4.067 6.120 -1.089 490 HA VAL 70 HA VAL 70 -6.307 5.173 0.518 491 HB VAL 70 HB VAL 70 -4.314 4.728 1.884 492 HG11 VAL 70 1HG1 VAL 70 -3.806 7.738 1.858 493 HG12 VAL 70 2HG1 VAL 70 -2.930 6.507 2.792 494 HG13 VAL 70 3HG1 VAL 70 -2.801 6.504 1.027 495 HG21 VAL 70 3HG2 VAL 70 -5.897 7.082 2.998 496 HG22 VAL 70 1HG2 VAL 70 -6.540 5.432 2.847 497 HG23 VAL 70 2HG2 VAL 70 -5.144 5.739 3.885 498 H TRP 71 H TRP 71 -7.620 6.860 1.236 499 HA TRP 71 HA TRP 71 -7.349 9.386 -0.297 500 HB2 TRP 71 1HB TRP 71 -9.692 8.024 1.092 501 HB3 TRP 71 2HB TRP 71 -9.747 9.585 0.306 502 HD1 TRP 71 HD TRP 71 -9.642 5.860 -0.429 503 HE1 TRP 71 1HE TRP 71 -10.230 5.390 -2.826 504 HE3 TRP 71 3HE TRP 71 -9.505 10.643 -2.210 505 HZ2 TRP 71 2HZ TRP 71 -10.573 6.911 -5.313 506 HZ3 TRP 71 3HZ TRP 71 -10.088 11.127 -4.565 507 HH2 TRP 71 HH TRP 71 -10.616 9.228 -6.138 508 H THR 72 H THR 72 -6.892 11.221 0.823 509 HA THR 72 HA THR 72 -7.610 11.394 3.645 510 HB THR 72 HB THR 72 -5.413 10.702 4.005 511 HG1 THR 72 1HG THR 72 -5.292 12.404 5.275 512 HG21 THR 72 3HG2 THR 72 -3.465 11.789 2.883 513 HG22 THR 72 1HG2 THR 72 -4.567 12.584 1.771 514 HG23 THR 72 2HG2 THR 72 -4.443 10.804 1.784 515 H GLY 73 H GLY 73 -9.196 12.756 3.168 516 HA2 GLY 73 1HA GLY 73 -10.320 14.631 2.548 517 HA3 GLY 73 2HA GLY 73 -8.992 15.221 3.537 518 H GLY 74 H GLY 74 -9.064 14.345 -0.061 519 HA2 GLY 74 1HA GLY 74 -9.364 16.900 -1.006 520 HA3 GLY 74 2HA GLY 74 -7.637 16.813 -0.646 521 H ALA 75 H ALA 75 -7.108 14.086 -1.320 522 HA ALA 75 HA ALA 75 -8.201 13.602 -3.976 523 HB1 ALA 75 1HB ALA 75 -6.024 15.177 -4.014 524 HB2 ALA 75 2HB ALA 75 -5.203 13.618 -3.819 525 HB3 ALA 75 3HB ALA 75 -6.256 13.920 -5.218 526 H LEU 76 H LEU 76 -6.765 11.676 -4.831 527 HA LEU 76 HA LEU 76 -6.681 9.577 -2.764 528 HB2 LEU 76 1HB LEU 76 -7.764 9.279 -5.086 529 HB3 LEU 76 2HB LEU 76 -6.157 9.355 -5.745 530 HG LEU 76 HG LEU 76 -7.614 7.178 -4.593 531 HD11 LEU 76 1HD1 LEU 76 -5.067 7.339 -6.175 532 HD12 LEU 76 2HD1 LEU 76 -6.723 6.965 -6.693 533 HD13 LEU 76 3HD1 LEU 76 -5.864 5.806 -5.709 534 HD21 LEU 76 3HD2 LEU 76 -6.303 6.006 -3.200 535 HD22 LEU 76 1HD2 LEU 76 -6.583 7.545 -2.511 536 HD23 LEU 76 2HD2 LEU 76 -4.982 7.210 -3.259 537 H CYS 77 H CYS 77 -4.733 9.306 -1.797 538 HA CYS 77 HA CYS 77 -2.230 10.259 -3.072 539 HB2 CYS 77 1HB CYS 77 -3.019 9.577 -0.177 540 HB3 CYS 77 2HB CYS 77 -1.381 9.663 -0.742 541 HG CYS 77 HG CYS 77 -3.738 12.004 -0.975 542 H ARG 78 H ARG 78 -1.407 8.613 -4.323 543 HA ARG 78 HA ARG 78 -1.645 5.880 -3.157 544 HB2 ARG 78 1HB ARG 78 -2.610 4.945 -5.015 545 HB3 ARG 78 2HB ARG 78 -3.168 6.536 -5.279 546 HG2 ARG 78 1HG ARG 78 -2.373 6.031 -7.287 547 HG3 ARG 78 2HG ARG 78 -0.870 6.753 -6.664 548 HD2 ARG 78 1HD ARG 78 0.123 4.583 -6.407 549 HD3 ARG 78 2HD ARG 78 -1.427 3.774 -6.596 550 HE ARG 78 HE ARG 78 0.111 5.191 -8.761 551 HH11 ARG 78 1HH1 ARG 78 -1.755 2.355 -7.767 552 HH12 ARG 78 2HH1 ARG 78 -2.221 1.894 -9.359 553 HH21 ARG 78 1HH2 ARG 78 -0.322 4.442 -10.979 554 HH22 ARG 78 2HH2 ARG 78 -1.300 3.027 -11.171 555 H CYS 79 H CYS 79 0.059 4.474 -3.883 556 HA CYS 79 HA CYS 79 2.470 5.944 -4.789 557 HB2 CYS 79 1HB CYS 79 2.267 6.298 -2.273 558 HB3 CYS 79 2HB CYS 79 2.493 4.552 -2.082 559 HG CYS 79 HG CYS 79 4.840 4.525 -3.479 560 H ASP 80 H ASP 80 3.928 4.582 -5.780 561 HA ASP 80 HA ASP 80 3.159 1.745 -6.055 562 HB2 ASP 80 1HB ASP 80 5.410 3.389 -7.280 563 HB3 ASP 80 2HB ASP 80 5.207 1.651 -7.480 564 H GLY 81 H GLY 81 4.649 0.045 -5.365 565 HA2 GLY 81 1HA GLY 81 6.714 0.711 -3.392 566 HA3 GLY 81 2HA GLY 81 5.197 0.006 -2.871 567 H ARG 82 H ARG 82 7.121 -1.441 -2.189 568 HA ARG 82 HA ARG 82 6.766 -3.778 -3.927 569 HB2 ARG 82 1HB ARG 82 9.387 -3.474 -2.442 570 HB3 ARG 82 2HB ARG 82 8.847 -4.744 -3.578 571 HG2 ARG 82 1HG ARG 82 8.494 -2.612 -5.174 572 HG3 ARG 82 2HG ARG 82 9.760 -1.925 -4.156 573 HD2 ARG 82 1HD ARG 82 9.864 -4.579 -5.678 574 HD3 ARG 82 2HD ARG 82 10.374 -3.001 -6.277 575 HE ARG 82 HE ARG 82 11.732 -3.629 -3.827 576 HH11 ARG 82 1HH1 ARG 82 11.610 -4.547 -7.256 577 HH12 ARG 82 2HH1 ARG 82 13.234 -5.137 -7.331 578 HH21 ARG 82 1HH2 ARG 82 13.988 -4.128 -3.963 579 HH22 ARG 82 2HH2 ARG 82 14.658 -4.827 -5.399 580 H VAL 83 H VAL 83 6.761 -5.799 -2.578 581 HA VAL 83 HA VAL 83 5.327 -5.536 -0.134 582 HB VAL 83 HB VAL 83 6.680 -7.772 -1.655 583 HG11 VAL 83 1HG1 VAL 83 6.568 -8.468 0.720 584 HG12 VAL 83 2HG1 VAL 83 4.822 -8.068 0.713 585 HG13 VAL 83 3HG1 VAL 83 5.443 -9.383 -0.287 586 HG21 VAL 83 3HG2 VAL 83 4.243 -8.348 -2.041 587 HG22 VAL 83 1HG2 VAL 83 3.774 -6.881 -1.173 588 HG23 VAL 83 2HG2 VAL 83 4.695 -6.756 -2.669 589 H GLU 84 H GLU 84 8.736 -5.756 -0.770 590 HA GLU 84 HA GLU 84 10.618 -5.575 0.460 591 HB2 GLU 84 1HB GLU 84 9.201 -3.704 1.515 592 HB3 GLU 84 2HB GLU 84 9.067 -4.737 2.925 593 HG2 GLU 84 1HG GLU 84 11.659 -3.776 1.641 594 HG3 GLU 84 2HG GLU 84 10.887 -3.063 3.065 595 H THR 85 H THR 85 8.208 -6.940 2.784 596 HA THR 85 HA THR 85 9.833 -9.423 3.065 597 HB THR 85 HB THR 85 9.560 -7.432 5.363 598 HG1 THR 85 1HG THR 85 11.409 -6.948 4.517 599 HG21 THR 85 3HG2 THR 85 9.071 -9.617 6.269 600 HG22 THR 85 1HG2 THR 85 10.716 -9.178 6.728 601 HG23 THR 85 2HG2 THR 85 10.463 -10.348 5.418 602 H LEU 86 H LEU 86 8.061 -10.665 2.569 603 HA LEU 86 HA LEU 86 5.392 -10.096 3.609 604 HB2 LEU 86 1HB LEU 86 6.066 -11.274 1.364 605 HB3 LEU 86 2HB LEU 86 6.293 -12.706 2.366 606 HG LEU 86 HG LEU 86 3.760 -11.987 3.113 607 HD11 LEU 86 1HD1 LEU 86 3.886 -9.999 1.507 608 HD12 LEU 86 2HD1 LEU 86 2.518 -11.075 1.269 609 HD13 LEU 86 3HD1 LEU 86 3.917 -11.161 0.167 610 HD21 LEU 86 3HD2 LEU 86 2.860 -13.558 1.464 611 HD22 LEU 86 1HD2 LEU 86 4.369 -14.186 2.145 612 HD23 LEU 86 2HD2 LEU 86 4.353 -13.457 0.511 613 H ARG 87 H ARG 87 4.268 -11.797 5.008 614 HA ARG 87 HA ARG 87 6.111 -13.392 6.708 615 HB2 ARG 87 1HB ARG 87 5.747 -11.405 8.033 616 HB3 ARG 87 2HB ARG 87 4.027 -11.405 7.635 617 HG2 ARG 87 1HG ARG 87 3.772 -13.546 8.911 618 HG3 ARG 87 2HG ARG 87 5.446 -13.381 9.459 619 HD2 ARG 87 1HD ARG 87 4.910 -11.480 10.776 620 HD3 ARG 87 2HD ARG 87 3.496 -11.090 9.799 621 HE ARG 87 HE ARG 87 2.207 -12.729 10.807 622 HH11 ARG 87 1HH1 ARG 87 5.336 -12.512 12.394 623 HH12 ARG 87 2HH1 ARG 87 5.041 -13.727 13.580 624 HH21 ARG 87 1HH2 ARG 87 1.748 -14.336 12.251 625 HH22 ARG 87 2HH2 ARG 87 2.843 -14.797 13.517 626 H ASP 88 H ASP 88 2.766 -12.745 5.577 627 HA ASP 88 HA ASP 88 2.349 -15.594 5.296 628 HB2 ASP 88 1HB ASP 88 0.515 -13.862 7.018 629 HB3 ASP 88 2HB ASP 88 0.030 -15.384 6.324 630 H ASP 89 H ASP 89 0.216 -15.793 4.102 631 HA ASP 89 HA ASP 89 0.018 -14.196 1.785 632 HB2 ASP 89 1HB ASP 89 -1.722 -16.294 3.094 633 HB3 ASP 89 2HB ASP 89 -2.361 -15.428 1.712 634 H ARG 90 H ARG 90 -0.891 -13.276 4.794 635 HA ARG 90 HA ARG 90 -2.755 -11.153 3.895 636 HB2 ARG 90 1HB ARG 90 -4.188 -11.552 5.887 637 HB3 ARG 90 2HB ARG 90 -4.188 -12.889 4.733 638 HG2 ARG 90 1HG ARG 90 -2.522 -14.101 6.160 639 HG3 ARG 90 2HG ARG 90 -2.647 -12.815 7.368 640 HD2 ARG 90 1HD ARG 90 -4.852 -13.433 7.958 641 HD3 ARG 90 2HD ARG 90 -5.143 -14.201 6.395 642 HE ARG 90 HE ARG 90 -4.150 -16.112 7.010 643 HH11 ARG 90 1HH1 ARG 90 -3.487 -13.761 9.621 644 HH12 ARG 90 2HH1 ARG 90 -2.758 -14.935 10.659 645 HH21 ARG 90 1HH2 ARG 90 -3.427 -17.684 8.480 646 HH22 ARG 90 2HH2 ARG 90 -2.949 -17.236 10.078 647 H GLN 91 H GLN 91 0.107 -11.852 5.719 648 HA GLN 91 HA GLN 91 -0.178 -9.269 7.098 649 HB2 GLN 91 1HB GLN 91 1.249 -11.706 8.220 650 HB3 GLN 91 2HB GLN 91 1.292 -10.073 8.841 651 HG2 GLN 91 1HG GLN 91 -1.258 -10.261 9.168 652 HG3 GLN 91 2HG GLN 91 -1.037 -12.003 8.905 653 HE21 GLN 91 1HE2 GLN 91 0.032 -9.233 10.943 654 HE22 GLN 91 2HE2 GLN 91 0.446 -10.177 12.333 655 H PHE 92 H PHE 92 1.382 -8.007 6.367 656 HA PHE 92 HA PHE 92 4.029 -8.940 5.622 657 HB2 PHE 92 1HB PHE 92 3.645 -8.372 3.170 658 HB3 PHE 92 2HB PHE 92 2.996 -9.868 3.730 659 HD1 PHE 92 1HD PHE 92 2.218 -6.441 2.647 660 HD2 PHE 92 2HD PHE 92 0.713 -10.389 3.414 661 HE1 PHE 92 1HE PHE 92 0.195 -5.894 1.368 662 HE2 PHE 92 2HE PHE 92 -1.432 -9.786 2.307 663 HZ PHE 92 HZ PHE 92 -1.687 -7.572 1.228 664 H ALA 93 H ALA 93 5.264 -7.261 4.769 665 HA ALA 93 HA ALA 93 4.688 -4.619 5.858 666 HB1 ALA 93 1HB ALA 93 6.992 -4.117 5.392 667 HB2 ALA 93 2HB ALA 93 6.979 -5.739 6.093 668 HB3 ALA 93 3HB ALA 93 7.164 -5.547 4.349 669 H ILE 94 H ILE 94 5.406 -2.782 4.294 670 HA ILE 94 HA ILE 94 5.655 -3.429 1.489 671 HB ILE 94 HB ILE 94 4.142 -1.296 1.035 672 HG12 ILE 94 1HG1 ILE 94 2.481 -2.482 3.261 673 HG13 ILE 94 2HG1 ILE 94 3.544 -1.112 3.506 674 HG21 ILE 94 1HG2 ILE 94 2.791 -3.983 1.297 675 HG22 ILE 94 2HG2 ILE 94 2.399 -2.663 0.172 676 HG23 ILE 94 3HG2 ILE 94 3.924 -3.546 0.006 677 HD11 ILE 94 3HD1 ILE 94 2.366 0.213 1.832 678 HD12 ILE 94 1HD1 ILE 94 1.270 -1.146 1.482 679 HD13 ILE 94 2HD1 ILE 94 1.245 -0.366 3.077 680 H ARG 95 H ARG 95 6.870 -1.834 0.442 681 HA ARG 95 HA ARG 95 7.866 0.454 2.131 682 HB2 ARG 95 1HB ARG 95 9.342 -1.618 1.824 683 HB3 ARG 95 2HB ARG 95 9.495 -1.189 0.122 684 HG2 ARG 95 1HG ARG 95 10.280 0.490 2.537 685 HG3 ARG 95 2HG ARG 95 11.376 -0.527 1.579 686 HD2 ARG 95 1HD ARG 95 11.249 0.826 -0.326 687 HD3 ARG 95 2HD ARG 95 9.934 1.808 0.357 688 HE ARG 95 HE ARG 95 11.650 2.186 2.272 689 HH11 ARG 95 1HH1 ARG 95 12.441 2.223 -1.168 690 HH12 ARG 95 2HH1 ARG 95 13.536 3.551 -1.089 691 HH21 ARG 95 1HH2 ARG 95 12.951 3.928 2.463 692 HH22 ARG 95 2HH2 ARG 95 13.967 4.491 1.170 693 H LEU 96 H LEU 96 7.222 2.243 1.347 694 HA LEU 96 HA LEU 96 6.033 2.607 -1.256 695 HB2 LEU 96 1HB LEU 96 6.914 4.685 0.807 696 HB3 LEU 96 2HB LEU 96 5.746 4.932 -0.475 697 HG LEU 96 HG LEU 96 5.457 3.178 1.968 698 HD11 LEU 96 1HD1 LEU 96 5.276 5.407 2.627 699 HD12 LEU 96 2HD1 LEU 96 3.654 4.730 2.645 700 HD13 LEU 96 3HD1 LEU 96 4.139 5.808 1.310 701 HD21 LEU 96 3HD2 LEU 96 3.846 2.058 1.035 702 HD22 LEU 96 1HD2 LEU 96 3.956 2.976 -0.485 703 HD23 LEU 96 2HD2 LEU 96 2.882 3.531 0.821 704 H VAL 97 H VAL 97 7.034 3.396 -3.139 705 HA VAL 97 HA VAL 97 9.556 4.861 -2.921 706 HB VAL 97 HB VAL 97 10.493 3.575 -4.734 707 HG11 VAL 97 1HG1 VAL 97 10.965 2.961 -2.354 708 HG12 VAL 97 2HG1 VAL 97 9.791 1.629 -2.493 709 HG13 VAL 97 3HG1 VAL 97 11.247 1.661 -3.514 710 HG21 VAL 97 3HG2 VAL 97 8.537 2.706 -5.878 711 HG22 VAL 97 1HG2 VAL 97 9.605 1.361 -5.425 712 HG23 VAL 97 2HG2 VAL 97 8.142 1.689 -4.488 713 H GLY 98 H GLY 98 9.936 6.257 -4.743 714 HA2 GLY 98 1HA GLY 98 9.470 7.194 -6.837 715 HA3 GLY 98 2HA GLY 98 8.003 6.208 -6.954 716 H ARG 99 H ARG 99 8.444 7.857 -3.975 717 HA ARG 99 HA ARG 99 7.228 9.273 -2.803 718 HB2 ARG 99 1HB ARG 99 8.393 10.698 -4.705 719 HB3 ARG 99 2HB ARG 99 6.723 10.986 -5.212 720 HG2 ARG 99 1HG ARG 99 6.224 11.885 -2.936 721 HG3 ARG 99 2HG ARG 99 7.922 11.568 -2.453 722 HD2 ARG 99 1HD ARG 99 8.662 12.926 -4.354 723 HD3 ARG 99 2HD ARG 99 6.947 13.226 -4.780 724 HE ARG 99 HE ARG 99 6.894 14.124 -2.299 725 HH11 ARG 99 1HH1 ARG 99 9.509 14.929 -4.621 726 HH12 ARG 99 2HH1 ARG 99 9.418 16.618 -4.221 727 HH21 ARG 99 1HH2 ARG 99 7.293 16.110 -1.466 728 HH22 ARG 99 2HH2 ARG 99 8.364 17.252 -2.250 729 H VAL 100 H VAL 100 5.111 10.481 -2.524 730 HA VAL 100 HA VAL 100 2.870 8.857 -3.601 731 HB VAL 100 HB VAL 100 2.914 10.687 -1.166 732 HG11 VAL 100 1HG1 VAL 100 0.706 10.077 -2.161 733 HG12 VAL 100 2HG1 VAL 100 1.088 8.362 -1.913 734 HG13 VAL 100 3HG1 VAL 100 0.914 9.459 -0.520 735 HG21 VAL 100 3HG2 VAL 100 3.226 8.805 0.306 736 HG22 VAL 100 1HG2 VAL 100 3.387 7.691 -1.070 737 HG23 VAL 100 2HG2 VAL 100 4.609 8.928 -0.763 738 H ARG 101 H ARG 101 2.092 10.052 -5.383 739 HA ARG 101 HA ARG 101 1.651 12.965 -5.004 740 HB2 ARG 101 1HB ARG 101 3.003 12.373 -6.895 741 HB3 ARG 101 2HB ARG 101 1.826 11.250 -7.525 742 HG2 ARG 101 1HG ARG 101 0.986 14.116 -7.149 743 HG3 ARG 101 2HG ARG 101 2.171 13.756 -8.395 744 HD2 ARG 101 1HD ARG 101 0.712 12.445 -9.678 745 HD3 ARG 101 2HD ARG 101 -0.374 12.152 -8.330 746 HE ARG 101 HE ARG 101 -1.576 13.932 -8.818 747 HH11 ARG 101 1HH1 ARG 101 1.610 14.668 -10.273 748 HH12 ARG 101 2HH1 ARG 101 0.979 16.038 -11.091 749 HH21 ARG 101 1HH2 ARG 101 -2.336 15.702 -10.028 750 HH22 ARG 101 2HH2 ARG 101 -1.348 16.372 -11.269 751 H GLU 102 H GLU 102 -0.369 13.847 -5.657 752 HA GLU 102 HA GLU 102 -2.771 12.422 -4.869 753 HB2 GLU 102 1HB GLU 102 -2.118 15.158 -6.016 754 HB3 GLU 102 2HB GLU 102 -3.769 14.674 -5.610 755 HG2 GLU 102 1HG GLU 102 -3.388 14.737 -3.312 756 HG3 GLU 102 2HG GLU 102 -1.705 14.320 -3.468 757 H LEU 103 H LEU 103 -2.614 10.662 -6.540 758 HA LEU 103 HA LEU 103 -2.419 11.395 -9.339 759 HB2 LEU 103 1HB LEU 103 -3.048 8.761 -7.965 760 HB3 LEU 103 2HB LEU 103 -3.223 8.977 -9.703 761 HG LEU 103 HG LEU 103 -0.854 9.749 -9.825 762 HD11 LEU 103 1HD1 LEU 103 -0.858 8.808 -6.953 763 HD12 LEU 103 2HD1 LEU 103 -0.171 10.241 -7.651 764 HD13 LEU 103 3HD1 LEU 103 0.622 8.703 -7.951 765 HD21 LEU 103 3HD2 LEU 103 -1.591 6.908 -9.123 766 HD22 LEU 103 1HD2 LEU 103 0.014 7.370 -9.737 767 HD23 LEU 103 2HD2 LEU 103 -1.455 7.636 -10.701 768 H GLN 104 H GLN 104 -5.104 10.535 -7.315 769 HA GLN 104 HA GLN 104 -7.053 10.938 -9.560 770 HB2 GLN 104 1HB GLN 104 -6.464 8.586 -8.138 771 HB3 GLN 104 2HB GLN 104 -7.904 9.190 -7.329 772 HG2 GLN 104 1HG GLN 104 -9.134 9.122 -9.430 773 HG3 GLN 104 2HG GLN 104 -7.672 8.582 -10.285 774 HE21 GLN 104 1HE2 GLN 104 -6.874 6.431 -9.907 775 HE22 GLN 104 2HE2 GLN 104 -7.767 5.198 -9.065 776 H ARG 105 H ARG 105 -9.208 11.760 -8.693 777 HA ARG 105 HA ARG 105 -9.236 12.826 -5.949 778 HB2 ARG 105 1HB ARG 105 -9.570 15.245 -6.804 779 HB3 ARG 105 2HB ARG 105 -7.974 14.588 -6.600 780 HG2 ARG 105 1HG ARG 105 -8.121 15.912 -8.641 781 HG3 ARG 105 2HG ARG 105 -7.675 14.224 -8.935 782 HD2 ARG 105 1HD ARG 105 -10.127 13.782 -9.507 783 HD3 ARG 105 2HD ARG 105 -10.467 15.481 -9.234 784 HE ARG 105 HE ARG 105 -8.999 14.232 -11.516 785 HH11 ARG 105 1HH1 ARG 105 -9.999 17.405 -10.191 786 HH12 ARG 105 2HH1 ARG 105 -10.566 17.955 -11.717 787 HH21 ARG 105 1HH2 ARG 105 -10.081 14.844 -13.372 788 HH22 ARG 105 2HH2 ARG 105 -10.624 16.502 -13.563 789 H ARG 106 H ARG 106 -10.836 10.967 -7.019 790 HA ARG 106 HA ARG 106 -13.042 10.384 -7.324 791 HB2 ARG 106 1HB ARG 106 -12.491 11.734 -4.863 792 HB3 ARG 106 2HB ARG 106 -14.113 12.204 -5.329 793 HG2 ARG 106 1HG ARG 106 -14.877 9.958 -5.448 794 HG3 ARG 106 2HG ARG 106 -13.237 9.305 -5.217 795 HD2 ARG 106 1HD ARG 106 -13.102 10.078 -2.976 796 HD3 ARG 106 2HD ARG 106 -14.464 11.207 -3.191 797 HE ARG 106 HE ARG 106 -15.207 8.461 -3.630 798 HH11 ARG 106 1HH1 ARG 106 -14.486 10.643 -0.963 799 HH12 ARG 106 2HH1 ARG 106 -15.780 10.111 0.056 800 HH21 ARG 106 1HH2 ARG 106 -17.035 7.886 -2.435 801 HH22 ARG 106 2HH2 ARG 106 -17.258 8.373 -0.798 802 H GLU 107 H GLU 107 -13.022 11.245 -9.486 803 HA GLU 107 HA GLU 107 -13.929 13.867 -10.147 804 HB2 GLU 107 1HB GLU 107 -13.693 11.291 -11.770 805 HB3 GLU 107 2HB GLU 107 -14.081 12.883 -12.441 806 HG2 GLU 107 1HG GLU 107 -11.904 13.742 -11.468 807 HG3 GLU 107 2HG GLU 107 -11.485 12.087 -11.045 808 H TYR 108 H TYR 108 -15.784 14.087 -8.890 809 HA TYR 108 HA TYR 108 -18.302 13.013 -10.038 810 HB2 TYR 108 1HB TYR 108 -17.438 13.248 -7.139 811 HB3 TYR 108 2HB TYR 108 -19.111 13.496 -7.582 812 HD1 TYR 108 1HD TYR 108 -16.377 10.923 -7.646 813 HD2 TYR 108 2HD TYR 108 -20.597 11.706 -8.008 814 HE1 TYR 108 1HE TYR 108 -16.840 8.496 -7.470 815 HE2 TYR 108 2HE TYR 108 -21.061 9.271 -7.872 816 HH TYR 108 HH TYR 108 -18.590 6.763 -7.868 817 H PHE 109 H PHE 109 -19.138 14.646 -11.026 818 HA PHE 109 HA PHE 109 -19.184 17.386 -9.921 819 HB2 PHE 109 1HB PHE 109 -19.558 16.507 -12.830 820 HB3 PHE 109 2HB PHE 109 -19.965 18.086 -12.194 821 HD1 PHE 109 1HD PHE 109 -18.114 19.572 -11.255 822 HD2 PHE 109 2HD PHE 109 -17.332 16.120 -13.684 823 HE1 PHE 109 1HE PHE 109 -15.779 20.371 -11.633 824 HE2 PHE 109 2HE PHE 109 -15.075 17.004 -14.198 825 HZ PHE 109 HZ PHE 109 -14.271 19.095 -13.122 Start of MODEL 2 1 H1 GLY 1 H GLY 1 21.626 21.735 4.332 2 HA2 GLY 1 1HA GLY 1 20.077 20.874 2.586 3 HA3 GLY 1 2HA GLY 1 21.380 21.158 1.428 4 H MET 2 H MET 2 20.401 19.333 4.290 5 HA MET 2 HA MET 2 21.955 17.050 3.258 6 HB2 MET 2 1HB MET 2 22.951 18.244 5.407 7 HB3 MET 2 2HB MET 2 21.684 17.311 6.232 8 HG2 MET 2 1HG MET 2 22.678 15.324 4.761 9 HG3 MET 2 2HG MET 2 24.066 16.395 4.620 10 HE1 MET 2 3HE MET 2 21.644 14.593 7.143 11 HE2 MET 2 1HE MET 2 22.707 13.500 6.237 12 HE3 MET 2 2HE MET 2 22.891 13.651 8.001 13 H SER 3 H SER 3 19.034 18.278 3.405 14 HA SER 3 HA SER 3 17.319 16.360 4.537 15 HB2 SER 3 1HB SER 3 16.947 17.744 1.854 16 HB3 SER 3 2HB SER 3 15.698 17.248 3.017 17 HG SER 3 HG SER 3 16.323 19.552 2.859 18 H ALA 4 H ALA 4 17.627 14.232 4.211 19 HA ALA 4 HA ALA 4 17.908 13.214 1.412 20 HB1 ALA 4 1HB ALA 4 17.580 11.705 4.030 21 HB2 ALA 4 2HB ALA 4 17.773 10.987 2.430 22 HB3 ALA 4 3HB ALA 4 19.120 11.894 3.145 23 H ASP 5 H ASP 5 16.011 13.270 0.360 24 HA ASP 5 HA ASP 5 13.517 13.856 1.527 25 HB2 ASP 5 1HB ASP 5 14.100 12.481 -1.135 26 HB3 ASP 5 2HB ASP 5 12.607 13.327 -0.695 27 H GLY 6 H GLY 6 11.611 12.440 1.467 28 HA2 GLY 6 1HA GLY 6 10.590 10.333 1.078 29 HA3 GLY 6 2HA GLY 6 12.115 9.497 1.457 30 H SER 7 H SER 7 9.682 11.669 2.898 31 HA SER 7 HA SER 7 9.345 9.896 5.163 32 HB2 SER 7 1HB SER 7 11.384 11.335 5.728 33 HB3 SER 7 2HB SER 7 10.279 12.714 5.802 34 HG SER 7 HG SER 7 10.130 10.278 7.294 35 H GLU 8 H GLU 8 8.179 12.578 3.144 36 HA GLU 8 HA GLU 8 6.038 13.333 4.890 37 HB2 GLU 8 1HB GLU 8 6.358 13.575 1.866 38 HB3 GLU 8 2HB GLU 8 4.921 14.071 2.747 39 HG2 GLU 8 1HG GLU 8 5.786 16.065 2.967 40 HG3 GLU 8 2HG GLU 8 6.812 15.389 4.212 41 H TYR 9 H TYR 9 6.603 10.331 3.510 42 HA TYR 9 HA TYR 9 4.144 9.542 2.407 43 HB2 TYR 9 1HB TYR 9 5.796 7.702 4.128 44 HB3 TYR 9 2HB TYR 9 4.885 7.337 2.678 45 HD1 TYR 9 1HD TYR 9 6.082 9.542 0.827 46 HD2 TYR 9 2HD TYR 9 7.853 6.811 3.637 47 HE1 TYR 9 1HE TYR 9 8.156 9.494 -0.516 48 HE2 TYR 9 2HE TYR 9 9.935 6.730 2.320 49 HH TYR 9 HH TYR 9 10.875 7.293 0.241 50 H GLY 10 H GLY 10 5.185 9.800 5.803 51 HA2 GLY 10 1HA GLY 10 2.938 8.388 6.925 52 HA3 GLY 10 2HA GLY 10 4.121 9.409 7.763 53 H ARG 11 H ARG 11 3.220 11.612 5.577 54 HA ARG 11 HA ARG 11 1.131 12.794 7.250 55 HB2 ARG 11 1HB ARG 11 2.117 13.764 4.534 56 HB3 ARG 11 2HB ARG 11 1.338 14.698 5.821 57 HG2 ARG 11 1HG ARG 11 3.370 14.117 7.247 58 HG3 ARG 11 2HG ARG 11 4.130 13.504 5.810 59 HD2 ARG 11 1HD ARG 11 5.024 15.542 5.663 60 HD3 ARG 11 2HD ARG 11 3.490 15.960 4.880 61 HE ARG 11 HE ARG 11 3.138 16.206 7.659 62 HH11 ARG 11 1HH1 ARG 11 5.180 17.827 5.215 63 HH12 ARG 11 2HH1 ARG 11 5.292 19.324 6.082 64 HH21 ARG 11 1HH2 ARG 11 3.310 18.158 8.819 65 HH22 ARG 11 2HH2 ARG 11 4.041 19.550 8.080 66 H TYR 12 H TYR 12 1.274 10.565 4.677 67 HA TYR 12 HA TYR 12 -1.468 11.171 3.777 68 HB2 TYR 12 1HB TYR 12 0.603 9.499 2.340 69 HB3 TYR 12 2HB TYR 12 -0.792 10.304 1.659 70 HD1 TYR 12 2HD TYR 12 -0.357 13.127 2.870 71 HD2 TYR 12 1HD TYR 12 2.413 10.313 1.195 72 HE1 TYR 12 2HE TYR 12 1.068 14.970 2.165 73 HE2 TYR 12 1HE TYR 12 3.879 12.200 0.444 74 HH TYR 12 HH TYR 12 3.003 15.618 0.963 75 H PHE 13 H PHE 13 0.767 8.463 4.566 76 HA PHE 13 HA PHE 13 -1.525 6.631 4.961 77 HB2 PHE 13 1HB PHE 13 1.430 6.111 5.150 78 HB3 PHE 13 2HB PHE 13 0.137 4.918 5.274 79 HD1 PHE 13 1HD PHE 13 -1.453 4.639 3.266 80 HD2 PHE 13 2HD PHE 13 2.440 6.445 3.001 81 HE1 PHE 13 1HE PHE 13 -1.483 4.313 0.827 82 HE2 PHE 13 2HE PHE 13 2.465 6.016 0.567 83 HZ PHE 13 HZ PHE 13 0.498 4.990 -0.534 84 H GLU 14 H GLU 14 -2.389 6.699 6.869 85 HA GLU 14 HA GLU 14 -0.911 7.285 9.350 86 HB2 GLU 14 1HB GLU 14 -3.545 7.641 8.503 87 HB3 GLU 14 2HB GLU 14 -3.702 6.266 9.555 88 HG2 GLU 14 1HG GLU 14 -3.376 7.558 11.420 89 HG3 GLU 14 2HG GLU 14 -2.038 8.464 10.700 90 H GLN 15 H GLN 15 -1.421 5.644 11.147 91 HA GLN 15 HA GLN 15 -0.196 3.074 10.262 92 HB2 GLN 15 1HB GLN 15 0.508 4.411 12.321 93 HB3 GLN 15 2HB GLN 15 -1.011 3.845 13.073 94 HG2 GLN 15 1HG GLN 15 -0.326 1.544 12.849 95 HG3 GLN 15 2HG GLN 15 1.060 2.000 11.868 96 HE21 GLN 15 1HE2 GLN 15 -0.190 1.523 15.086 97 HE22 GLN 15 2HE2 GLN 15 1.317 1.728 15.909 98 H LEU 16 H LEU 16 -3.356 4.121 10.966 99 HA LEU 16 HA LEU 16 -4.343 1.300 11.113 100 HB2 LEU 16 1HB LEU 16 -5.591 3.682 12.517 101 HB3 LEU 16 2HB LEU 16 -6.029 1.993 12.700 102 HG LEU 16 HG LEU 16 -3.371 3.219 13.608 103 HD11 LEU 16 1HD1 LEU 16 -5.840 2.431 15.184 104 HD12 LEU 16 2HD1 LEU 16 -5.150 4.075 14.967 105 HD13 LEU 16 3HD1 LEU 16 -4.260 2.855 15.889 106 HD21 LEU 16 3HD2 LEU 16 -4.557 0.460 14.097 107 HD22 LEU 16 1HD2 LEU 16 -3.045 1.081 14.797 108 HD23 LEU 16 2HD2 LEU 16 -3.174 0.819 13.056 109 H GLN 17 H GLN 17 -4.017 3.442 8.960 110 HA GLN 17 HA GLN 17 -6.744 3.973 8.001 111 HB2 GLN 17 1HB GLN 17 -4.023 4.794 7.304 112 HB3 GLN 17 2HB GLN 17 -4.850 4.202 5.865 113 HG2 GLN 17 1HG GLN 17 -6.685 5.779 6.198 114 HG3 GLN 17 2HG GLN 17 -6.037 6.255 7.770 115 HE21 GLN 17 1HE2 GLN 17 -3.762 5.837 5.024 116 HE22 GLN 17 2HE2 GLN 17 -3.498 7.586 4.881 117 H LYS 18 H LYS 18 -7.145 3.196 5.623 118 HA LYS 18 HA LYS 18 -6.410 0.328 5.340 119 HB2 LYS 18 1HB LYS 18 -9.067 1.699 4.821 120 HB3 LYS 18 2HB LYS 18 -8.524 0.445 3.722 121 HG2 LYS 18 1HG LYS 18 -9.730 -0.808 5.137 122 HG3 LYS 18 2HG LYS 18 -8.127 -1.022 5.792 123 HD2 LYS 18 1HD LYS 18 -9.366 -0.765 7.713 124 HD3 LYS 18 2HD LYS 18 -8.835 0.905 7.485 125 HE2 LYS 18 1HE LYS 18 -10.960 1.603 6.746 126 HE3 LYS 18 2HE LYS 18 -11.422 0.002 6.180 127 HZ1 LYS 18 3HZ LYS 18 -11.107 0.541 9.047 128 HZ2 LYS 18 1HZ LYS 18 -11.934 -0.669 8.357 129 HZ3 LYS 18 2HZ LYS 18 -12.507 0.882 8.281 130 H VAL 19 H VAL 19 -5.768 -0.287 3.215 131 HA VAL 19 HA VAL 19 -5.471 1.852 1.206 132 HB VAL 19 HB VAL 19 -3.123 0.964 0.816 133 HG11 VAL 19 1HG1 VAL 19 -3.659 2.560 3.343 134 HG12 VAL 19 2HG1 VAL 19 -2.078 2.405 2.533 135 HG13 VAL 19 3HG1 VAL 19 -3.425 3.162 1.688 136 HG21 VAL 19 3HG2 VAL 19 -1.872 -0.002 2.657 137 HG22 VAL 19 1HG2 VAL 19 -3.318 -0.062 3.678 138 HG23 VAL 19 2HG2 VAL 19 -3.207 -1.070 2.224 139 H ASN 20 H ASN 20 -5.012 1.057 -0.941 140 HA ASN 20 HA ASN 20 -6.308 -1.404 -1.625 141 HB2 ASN 20 1HB ASN 20 -6.188 0.758 -3.027 142 HB3 ASN 20 2HB ASN 20 -4.467 0.451 -3.230 143 HD21 ASN 20 1HD2 ASN 20 -7.377 -1.719 -3.303 144 HD22 ASN 20 2HD2 ASN 20 -7.078 -2.286 -4.909 145 H LEU 21 H LEU 21 -5.296 -3.188 -2.880 146 HA LEU 21 HA LEU 21 -2.387 -3.660 -2.343 147 HB2 LEU 21 1HB LEU 21 -4.637 -5.702 -2.158 148 HB3 LEU 21 2HB LEU 21 -2.921 -5.979 -1.890 149 HG LEU 21 HG LEU 21 -4.784 -4.332 -0.134 150 HD11 LEU 21 1HD1 LEU 21 -5.229 -6.753 -0.065 151 HD12 LEU 21 2HD1 LEU 21 -4.405 -6.298 1.421 152 HD13 LEU 21 3HD1 LEU 21 -3.504 -7.116 0.138 153 HD21 LEU 21 3HD2 LEU 21 -1.828 -5.070 0.210 154 HD22 LEU 21 1HD2 LEU 21 -2.860 -4.424 1.508 155 HD23 LEU 21 2HD2 LEU 21 -2.511 -3.442 0.088 156 H THR 22 H THR 22 -2.696 -2.614 -4.765 157 HA THR 22 HA THR 22 -3.518 -4.700 -6.662 158 HB THR 22 HB THR 22 -2.550 -1.885 -6.919 159 HG1 THR 22 1HG THR 22 -4.699 -2.023 -6.644 160 HG21 THR 22 3HG2 THR 22 -2.921 -2.212 -9.422 161 HG22 THR 22 1HG2 THR 22 -2.757 -3.960 -9.135 162 HG23 THR 22 2HG2 THR 22 -1.426 -2.855 -8.773 163 H VAL 23 H VAL 23 -2.286 -6.341 -6.887 164 HA VAL 23 HA VAL 23 0.720 -6.097 -6.787 165 HB VAL 23 HB VAL 23 -0.863 -8.612 -6.097 166 HG11 VAL 23 1HG1 VAL 23 1.376 -9.227 -5.040 167 HG12 VAL 23 2HG1 VAL 23 1.464 -9.018 -6.788 168 HG13 VAL 23 3HG1 VAL 23 2.031 -7.730 -5.708 169 HG21 VAL 23 3HG2 VAL 23 -1.368 -6.991 -4.302 170 HG22 VAL 23 1HG2 VAL 23 -0.327 -8.322 -3.758 171 HG23 VAL 23 2HG2 VAL 23 0.371 -6.739 -4.061 172 H ARG 24 H ARG 24 1.786 -6.856 -8.718 173 HA ARG 24 HA ARG 24 0.188 -7.724 -10.916 174 HB2 ARG 24 1HB ARG 24 2.164 -7.886 -12.105 175 HB3 ARG 24 2HB ARG 24 2.556 -6.678 -10.894 176 HG2 ARG 24 1HG ARG 24 3.544 -8.613 -9.518 177 HG3 ARG 24 2HG ARG 24 3.410 -9.616 -10.954 178 HD2 ARG 24 1HD ARG 24 4.735 -7.013 -11.433 179 HD3 ARG 24 2HD ARG 24 5.564 -8.020 -10.263 180 HE ARG 24 HE ARG 24 5.076 -8.562 -13.142 181 HH11 ARG 24 1HH1 ARG 24 6.730 -9.595 -10.142 182 HH12 ARG 24 2HH1 ARG 24 8.018 -10.355 -10.963 183 HH21 ARG 24 1HH2 ARG 24 6.802 -9.665 -14.228 184 HH22 ARG 24 2HH2 ARG 24 8.186 -10.164 -13.304 185 H LEU 25 H LEU 25 -0.220 -9.749 -11.737 186 HA LEU 25 HA LEU 25 0.907 -12.167 -10.397 187 HB2 LEU 25 1HB LEU 25 -1.917 -11.690 -11.386 188 HB3 LEU 25 2HB LEU 25 -1.290 -13.273 -10.997 189 HG LEU 25 HG LEU 25 -1.641 -10.942 -9.045 190 HD11 LEU 25 1HD1 LEU 25 -3.409 -12.434 -8.128 191 HD12 LEU 25 2HD1 LEU 25 -3.080 -13.607 -9.409 192 HD13 LEU 25 3HD1 LEU 25 -3.706 -11.999 -9.826 193 HD21 LEU 25 3HD2 LEU 25 0.282 -12.262 -8.227 194 HD22 LEU 25 1HD2 LEU 25 -0.601 -13.760 -8.523 195 HD23 LEU 25 2HD2 LEU 25 -1.122 -12.627 -7.251 196 H GLY 26 H GLY 26 2.535 -11.910 -12.046 197 HA2 GLY 26 1HA GLY 26 3.488 -12.684 -13.976 198 HA3 GLY 26 2HA GLY 26 1.995 -13.587 -14.257 199 H ASP 27 H ASP 27 2.002 -10.062 -14.019 200 HA ASP 27 HA ASP 27 1.919 -8.338 -15.446 201 HB2 ASP 27 1HB ASP 27 3.752 -9.740 -16.651 202 HB3 ASP 27 2HB ASP 27 2.498 -10.096 -17.831 203 H THR 28 H THR 28 0.494 -11.175 -17.075 204 HA THR 28 HA THR 28 -1.617 -9.736 -18.408 205 HB THR 28 HB THR 28 -2.344 -12.072 -18.944 206 HG1 THR 28 1HG THR 28 -0.166 -13.283 -17.870 207 HG21 THR 28 3HG2 THR 28 0.681 -11.712 -19.227 208 HG22 THR 28 1HG2 THR 28 -0.541 -11.004 -20.301 209 HG23 THR 28 2HG2 THR 28 -0.361 -12.764 -20.198 210 H GLY 29 H GLY 29 -1.297 -10.362 -15.133 211 HA2 GLY 29 1HA GLY 29 -4.146 -10.008 -14.625 212 HA3 GLY 29 2HA GLY 29 -3.359 -11.458 -13.926 213 H SER 30 H SER 30 -4.417 -9.436 -12.311 214 HA SER 30 HA SER 30 -2.073 -9.096 -10.667 215 HB2 SER 30 1HB SER 30 -3.906 -6.789 -11.401 216 HB3 SER 30 2HB SER 30 -2.797 -6.754 -10.038 217 HG SER 30 HG SER 30 -2.113 -7.022 -12.812 218 H PHE 31 H PHE 31 -2.874 -8.608 -8.407 219 HA PHE 31 HA PHE 31 -5.617 -9.644 -7.882 220 HB2 PHE 31 1HB PHE 31 -4.057 -10.941 -6.658 221 HB3 PHE 31 2HB PHE 31 -3.103 -9.566 -6.174 222 HD1 PHE 31 2HD PHE 31 -6.436 -11.243 -5.748 223 HD2 PHE 31 1HD PHE 31 -3.601 -8.418 -4.107 224 HE1 PHE 31 2HE PHE 31 -7.722 -11.166 -3.637 225 HE2 PHE 31 1HE PHE 31 -4.888 -8.355 -1.986 226 HZ PHE 31 HZ PHE 31 -6.968 -9.717 -1.762 227 H ASP 32 H ASP 32 -6.876 -8.291 -6.386 228 HA ASP 32 HA ASP 32 -5.808 -5.736 -5.554 229 HB2 ASP 32 1HB ASP 32 -6.818 -4.945 -7.522 230 HB3 ASP 32 2HB ASP 32 -8.303 -5.876 -7.301 231 H GLY 33 H GLY 33 -6.243 -5.726 -3.520 232 HA2 GLY 33 1HA GLY 33 -8.892 -6.396 -2.479 233 HA3 GLY 33 2HA GLY 33 -7.522 -7.241 -1.707 234 H THR 34 H THR 34 -8.439 -5.845 0.151 235 HA THR 34 HA THR 34 -6.990 -3.235 0.146 236 HB THR 34 HB THR 34 -9.433 -3.866 1.838 237 HG1 THR 34 1HG THR 34 -9.447 -3.367 -0.816 238 HG21 THR 34 3HG2 THR 34 -8.272 -1.220 0.878 239 HG22 THR 34 1HG2 THR 34 -7.982 -1.908 2.500 240 HG23 THR 34 2HG2 THR 34 -9.606 -1.436 2.030 241 H ALA 35 H ALA 35 -6.053 -2.755 2.370 242 HA ALA 35 HA ALA 35 -6.530 -4.826 4.298 243 HB1 ALA 35 1HB ALA 35 -4.267 -5.569 3.457 244 HB2 ALA 35 2HB ALA 35 -3.624 -3.948 3.782 245 HB3 ALA 35 3HB ALA 35 -4.179 -4.980 5.119 246 H ALA 36 H ALA 36 -6.127 -4.172 6.439 247 HA ALA 36 HA ALA 36 -6.139 -1.258 6.952 248 HB1 ALA 36 1HB ALA 36 -6.362 -1.894 9.272 249 HB2 ALA 36 2HB ALA 36 -7.548 -2.828 8.330 250 HB3 ALA 36 3HB ALA 36 -6.048 -3.597 8.901 251 H ILE 37 H ILE 37 -4.356 -0.261 7.714 252 HA ILE 37 HA ILE 37 -1.706 -1.518 7.623 253 HB ILE 37 HB ILE 37 -2.678 1.286 8.365 254 HG12 ILE 37 1HG1 ILE 37 -1.372 0.309 5.778 255 HG13 ILE 37 2HG1 ILE 37 -3.083 0.666 5.953 256 HG21 ILE 37 1HG2 ILE 37 -0.432 2.059 8.259 257 HG22 ILE 37 2HG2 ILE 37 -0.373 0.699 9.315 258 HG23 ILE 37 3HG2 ILE 37 0.183 0.486 7.654 259 HD11 ILE 37 3HD1 ILE 37 -1.957 2.486 4.843 260 HD12 ILE 37 1HD1 ILE 37 -2.606 3.019 6.403 261 HD13 ILE 37 2HD1 ILE 37 -0.860 2.714 6.186 262 H THR 38 H THR 38 -0.412 -1.546 9.574 263 HA THR 38 HA THR 38 -1.869 -1.409 12.141 264 HB THR 38 HB THR 38 -0.674 -3.559 12.817 265 HG1 THR 38 1HG THR 38 0.639 -4.443 11.482 266 HG21 THR 38 3HG2 THR 38 -3.064 -3.617 12.103 267 HG22 THR 38 1HG2 THR 38 -2.185 -5.113 11.743 268 HG23 THR 38 2HG2 THR 38 -2.538 -3.960 10.440 269 H SER 39 H SER 39 1.254 -1.167 10.464 270 HA SER 39 HA SER 39 2.327 0.287 12.804 271 HB2 SER 39 1HB SER 39 3.837 -2.071 11.667 272 HB3 SER 39 2HB SER 39 4.193 -1.125 13.123 273 HG SER 39 HG SER 39 1.933 -1.968 13.729 274 H LEU 40 H LEU 40 3.481 2.111 11.948 275 HA LEU 40 HA LEU 40 4.569 1.808 9.224 276 HB2 LEU 40 1HB LEU 40 2.077 2.582 9.297 277 HB3 LEU 40 2HB LEU 40 2.720 4.129 9.839 278 HG LEU 40 HG LEU 40 3.621 2.673 7.316 279 HD11 LEU 40 1HD1 LEU 40 2.142 4.074 6.045 280 HD12 LEU 40 2HD1 LEU 40 1.513 4.833 7.536 281 HD13 LEU 40 3HD1 LEU 40 1.234 3.118 7.197 282 HD21 LEU 40 3HD2 LEU 40 4.159 5.490 8.260 283 HD22 LEU 40 1HD2 LEU 40 4.192 5.040 6.536 284 HD23 LEU 40 2HD2 LEU 40 5.270 4.241 7.628 285 H LYS 41 H LYS 41 6.504 2.837 9.013 286 HA LYS 41 HA LYS 41 6.921 5.357 10.407 287 HB2 LYS 41 1HB LYS 41 8.371 2.808 11.014 288 HB3 LYS 41 2HB LYS 41 9.358 4.190 10.674 289 HG2 LYS 41 1HG LYS 41 9.159 4.784 12.836 290 HG3 LYS 41 2HG LYS 41 7.524 5.287 12.471 291 HD2 LYS 41 1HD LYS 41 7.675 3.857 14.438 292 HD3 LYS 41 2HD LYS 41 6.646 3.125 13.194 293 HE2 LYS 41 1HE LYS 41 8.269 1.488 12.636 294 HE3 LYS 41 2HE LYS 41 9.581 2.362 13.456 295 HZ1 LYS 41 3HZ LYS 41 8.838 1.738 15.477 296 HZ2 LYS 41 1HZ LYS 41 8.467 0.371 14.628 297 HZ3 LYS 41 2HZ LYS 41 7.285 1.460 14.998 298 H GLY 42 H GLY 42 7.038 6.498 8.538 299 HA2 GLY 42 1HA GLY 42 7.650 7.182 6.527 300 HA3 GLY 42 2HA GLY 42 9.266 6.545 6.894 301 H SER 43 H SER 43 9.928 5.341 5.124 302 HA SER 43 HA SER 43 8.044 4.144 3.273 303 HB2 SER 43 1HB SER 43 10.761 5.055 3.211 304 HB3 SER 43 2HB SER 43 10.736 3.396 2.695 305 HG SER 43 HG SER 43 10.413 4.867 1.020 306 H LEU 44 H LEU 44 7.686 3.038 5.815 307 HA LEU 44 HA LEU 44 7.662 0.328 4.916 308 HB2 LEU 44 1HB LEU 44 9.677 0.408 6.431 309 HB3 LEU 44 2HB LEU 44 8.594 0.861 7.747 310 HG LEU 44 HG LEU 44 7.262 -1.334 6.986 311 HD11 LEU 44 1HD1 LEU 44 10.084 -1.841 5.939 312 HD12 LEU 44 2HD1 LEU 44 8.625 -1.745 4.932 313 HD13 LEU 44 3HD1 LEU 44 8.844 -3.063 6.109 314 HD21 LEU 44 3HD2 LEU 44 8.685 -2.655 8.519 315 HD22 LEU 44 1HD2 LEU 44 8.302 -1.045 9.155 316 HD23 LEU 44 2HD2 LEU 44 9.912 -1.370 8.473 317 H ALA 45 H ALA 45 5.585 -0.024 4.972 318 HA ALA 45 HA ALA 45 4.075 0.577 7.445 319 HB1 ALA 45 1HB ALA 45 1.999 0.527 6.248 320 HB2 ALA 45 2HB ALA 45 3.018 1.679 5.359 321 HB3 ALA 45 3HB ALA 45 2.774 0.028 4.754 322 H TRP 46 H TRP 46 2.992 -1.171 8.242 323 HA TRP 46 HA TRP 46 3.260 -3.830 6.897 324 HB2 TRP 46 1HB TRP 46 3.373 -3.035 9.812 325 HB3 TRP 46 2HB TRP 46 2.712 -4.589 9.362 326 HD1 TRP 46 HD TRP 46 6.060 -2.713 9.308 327 HE1 TRP 46 1HE TRP 46 7.970 -4.493 9.115 328 HE3 TRP 46 3HE TRP 46 3.235 -6.904 8.491 329 HZ2 TRP 46 2HZ TRP 46 8.199 -7.277 8.535 330 HZ3 TRP 46 3HZ TRP 46 4.327 -9.089 8.100 331 HH2 TRP 46 HH TRP 46 6.819 -9.288 8.095 332 H LEU 47 H LEU 47 1.411 -5.034 6.720 333 HA LEU 47 HA LEU 47 -1.185 -3.728 7.297 334 HB2 LEU 47 1HB LEU 47 -0.297 -5.741 5.166 335 HB3 LEU 47 2HB LEU 47 -1.910 -5.110 5.354 336 HG LEU 47 HG LEU 47 -1.004 -4.075 3.530 337 HD11 LEU 47 1HD1 LEU 47 -1.094 -1.701 4.013 338 HD12 LEU 47 2HD1 LEU 47 -0.716 -1.987 5.716 339 HD13 LEU 47 3HD1 LEU 47 -2.271 -2.533 5.050 340 HD21 LEU 47 3HD2 LEU 47 1.425 -4.455 4.053 341 HD22 LEU 47 1HD2 LEU 47 1.392 -2.911 4.931 342 HD23 LEU 47 2HD2 LEU 47 0.989 -2.964 3.207 343 H GLU 48 H GLU 48 -2.984 -5.244 7.602 344 HA GLU 48 HA GLU 48 -2.327 -8.088 7.832 345 HB2 GLU 48 1HB GLU 48 -2.118 -7.182 10.192 346 HB3 GLU 48 2HB GLU 48 -3.822 -6.777 10.131 347 HG2 GLU 48 1HG GLU 48 -4.176 -9.273 9.430 348 HG3 GLU 48 2HG GLU 48 -2.513 -9.524 9.932 349 H LEU 49 H LEU 49 -3.331 -7.549 5.786 350 HA LEU 49 HA LEU 49 -4.937 -7.513 4.247 351 HB2 LEU 49 1HB LEU 49 -4.882 -9.885 5.793 352 HB3 LEU 49 2HB LEU 49 -6.570 -9.638 5.397 353 HG LEU 49 HG LEU 49 -4.199 -9.801 3.527 354 HD11 LEU 49 1HD1 LEU 49 -5.288 -11.850 2.729 355 HD12 LEU 49 2HD1 LEU 49 -6.731 -11.491 3.724 356 HD13 LEU 49 3HD1 LEU 49 -5.211 -11.928 4.493 357 HD21 LEU 49 3HD2 LEU 49 -5.814 -8.193 2.447 358 HD22 LEU 49 1HD2 LEU 49 -7.110 -9.401 2.638 359 HD23 LEU 49 2HD2 LEU 49 -5.725 -9.714 1.584 360 H PHE 50 H PHE 50 -7.539 -8.110 3.884 361 HA PHE 50 HA PHE 50 -9.067 -6.615 5.906 362 HB2 PHE 50 1HB PHE 50 -9.046 -6.018 3.156 363 HB3 PHE 50 2HB PHE 50 -10.493 -6.976 3.350 364 HD1 PHE 50 2HD PHE 50 -8.712 -4.522 5.602 365 HD2 PHE 50 1HD PHE 50 -12.325 -5.426 3.420 366 HE1 PHE 50 2HE PHE 50 -9.794 -2.698 6.703 367 HE2 PHE 50 1HE PHE 50 -13.399 -3.439 4.399 368 HZ PHE 50 HZ PHE 50 -12.204 -2.074 6.103 369 H GLY 51 H GLY 51 -11.546 -7.446 5.605 370 HA2 GLY 51 1HA GLY 51 -11.122 -10.004 6.982 371 HA3 GLY 51 2HA GLY 51 -12.406 -8.807 7.186 372 H ALA 52 H ALA 52 -12.691 -8.936 4.102 373 HA ALA 52 HA ALA 52 -14.694 -11.116 4.152 374 HB1 ALA 52 1HB ALA 52 -14.106 -8.817 2.244 375 HB2 ALA 52 2HB ALA 52 -15.472 -9.950 2.103 376 HB3 ALA 52 3HB ALA 52 -15.339 -8.858 3.518 377 H GLU 53 H GLU 53 -11.603 -10.228 2.667 378 HA GLU 53 HA GLU 53 -11.684 -12.641 0.930 379 HB2 GLU 53 1HB GLU 53 -11.239 -9.783 -0.016 380 HB3 GLU 53 2HB GLU 53 -10.954 -11.232 -0.978 381 HG2 GLU 53 1HG GLU 53 -13.583 -11.619 -0.180 382 HG3 GLU 53 2HG GLU 53 -13.475 -9.873 -0.294 383 H GLN 54 H GLN 54 -9.566 -12.757 -0.326 384 HA GLN 54 HA GLN 54 -7.162 -11.677 0.727 385 HB2 GLN 54 1HB GLN 54 -6.223 -13.798 1.677 386 HB3 GLN 54 2HB GLN 54 -7.597 -13.181 2.588 387 HG2 GLN 54 1HG GLN 54 -9.078 -14.820 1.427 388 HG3 GLN 54 2HG GLN 54 -7.640 -15.490 0.658 389 HE21 GLN 54 1HE2 GLN 54 -7.063 -14.537 4.069 390 HE22 GLN 54 2HE2 GLN 54 -7.610 -16.080 4.702 391 HA PRO 55 HA PRO 55 -6.065 -13.244 -3.292 392 HB2 PRO 55 1HB PRO 55 -3.293 -13.551 -3.079 393 HB3 PRO 55 2HB PRO 55 -4.110 -11.994 -3.325 394 HG2 PRO 55 1HG PRO 55 -3.040 -13.203 -0.788 395 HG3 PRO 55 2HG PRO 55 -3.031 -11.489 -1.320 396 HD2 PRO 55 1HD PRO 55 -4.806 -12.545 0.496 397 HD3 PRO 55 2HD PRO 55 -5.198 -11.143 -0.516 398 HA PRO 56 HA PRO 56 -5.581 -17.687 -3.016 399 HB2 PRO 56 1HB PRO 56 -3.477 -18.119 -4.921 400 HB3 PRO 56 2HB PRO 56 -5.214 -18.335 -5.134 401 HG2 PRO 56 1HG PRO 56 -3.530 -16.192 -6.147 402 HG3 PRO 56 2HG PRO 56 -5.215 -16.542 -6.545 403 HD2 PRO 56 1HD PRO 56 -4.212 -14.431 -4.914 404 HD3 PRO 56 2HD PRO 56 -5.921 -14.865 -5.157 405 HA PRO 57 HA PRO 57 -1.967 -18.290 -0.374 406 HB2 PRO 57 1HB PRO 57 -1.607 -21.000 -0.504 407 HB3 PRO 57 2HB PRO 57 -3.008 -20.278 0.335 408 HG2 PRO 57 1HG PRO 57 -2.886 -21.318 -2.517 409 HG3 PRO 57 2HG PRO 57 -4.065 -21.755 -1.240 410 HD2 PRO 57 1HD PRO 57 -4.625 -19.845 -3.078 411 HD3 PRO 57 2HD PRO 57 -5.127 -19.626 -1.374 412 H ASN 58 H ASN 58 0.302 -19.190 -0.633 413 HA ASN 58 HA ASN 58 2.246 -19.481 -1.730 414 HB2 ASN 58 1HB ASN 58 0.274 -21.296 -2.815 415 HB3 ASN 58 2HB ASN 58 1.323 -20.835 -4.133 416 HD21 ASN 58 1HD2 ASN 58 0.940 -22.978 -1.553 417 HD22 ASN 58 2HD2 ASN 58 2.623 -23.473 -1.402 418 H THR 59 H THR 59 0.300 -17.225 -2.911 419 HA THR 59 HA THR 59 1.529 -16.867 -5.566 420 HB THR 59 HB THR 59 -1.002 -15.758 -4.253 421 HG1 THR 59 1HG THR 59 -1.087 -18.001 -4.736 422 HG21 THR 59 3HG2 THR 59 -0.077 -15.571 -7.133 423 HG22 THR 59 1HG2 THR 59 -0.216 -14.226 -5.965 424 HG23 THR 59 2HG2 THR 59 -1.665 -15.072 -6.495 425 H LEU 60 H LEU 60 0.853 -14.999 -2.601 426 HA LEU 60 HA LEU 60 1.941 -12.509 -3.516 427 HB2 LEU 60 1HB LEU 60 1.122 -13.716 -0.883 428 HB3 LEU 60 2HB LEU 60 2.244 -12.381 -0.814 429 HG LEU 60 HG LEU 60 -0.450 -12.242 -2.230 430 HD11 LEU 60 1HD1 LEU 60 -0.682 -12.441 0.215 431 HD12 LEU 60 2HD1 LEU 60 -1.058 -10.782 -0.331 432 HD13 LEU 60 3HD1 LEU 60 0.486 -11.120 0.451 433 HD21 LEU 60 3HD2 LEU 60 0.018 -9.740 -2.045 434 HD22 LEU 60 1HD2 LEU 60 1.036 -10.591 -3.206 435 HD23 LEU 60 2HD2 LEU 60 1.714 -10.155 -1.631 436 H SER 61 H SER 61 4.085 -11.791 -3.494 437 HA SER 61 HA SER 61 6.140 -13.502 -2.145 438 HB2 SER 61 1HB SER 61 6.532 -12.186 -4.807 439 HB3 SER 61 2HB SER 61 7.492 -13.448 -4.063 440 HG SER 61 HG SER 61 5.612 -14.842 -4.307 441 H GLU 62 H GLU 62 8.174 -12.494 -1.789 442 HA GLU 62 HA GLU 62 7.756 -10.161 -0.283 443 HB2 GLU 62 1HB GLU 62 10.438 -11.443 -0.906 444 HB3 GLU 62 2HB GLU 62 10.059 -10.356 0.436 445 HG2 GLU 62 1HG GLU 62 8.195 -12.193 0.945 446 HG3 GLU 62 2HG GLU 62 9.289 -13.240 0.038 447 H GLY 63 H GLY 63 8.491 -10.190 -3.467 448 HA2 GLY 63 1HA GLY 63 9.688 -7.461 -3.491 449 HA3 GLY 63 2HA GLY 63 10.386 -8.753 -4.490 450 H ALA 64 H ALA 64 6.907 -8.665 -3.809 451 HA ALA 64 HA ALA 64 6.258 -8.560 -6.631 452 HB1 ALA 64 1HB ALA 64 3.986 -8.655 -5.919 453 HB2 ALA 64 2HB ALA 64 4.836 -9.716 -4.796 454 HB3 ALA 64 3HB ALA 64 4.335 -8.091 -4.290 455 H GLU 65 H GLU 65 5.985 -6.639 -7.786 456 HA GLU 65 HA GLU 65 6.340 -4.090 -6.455 457 HB2 GLU 65 1HB GLU 65 5.820 -3.133 -8.680 458 HB3 GLU 65 2HB GLU 65 7.209 -4.212 -8.714 459 HG2 GLU 65 1HG GLU 65 5.992 -5.924 -9.805 460 HG3 GLU 65 2HG GLU 65 4.438 -5.134 -9.563 461 H VAL 66 H VAL 66 4.740 -2.911 -5.866 462 HA VAL 66 HA VAL 66 1.938 -3.723 -6.345 463 HB VAL 66 HB VAL 66 1.377 -3.382 -3.980 464 HG11 VAL 66 1HG1 VAL 66 2.187 -5.473 -3.150 465 HG12 VAL 66 2HG1 VAL 66 2.062 -5.625 -4.918 466 HG13 VAL 66 3HG1 VAL 66 3.638 -5.404 -4.168 467 HG21 VAL 66 3HG2 VAL 66 3.072 -3.250 -2.232 468 HG22 VAL 66 1HG2 VAL 66 4.379 -3.206 -3.433 469 HG23 VAL 66 2HG2 VAL 66 3.226 -1.850 -3.288 470 H SER 67 H SER 67 0.383 -1.921 -5.864 471 HA SER 67 HA SER 67 1.695 0.695 -5.432 472 HB2 SER 67 1HB SER 67 -0.406 1.625 -6.618 473 HB3 SER 67 2HB SER 67 0.999 1.108 -7.583 474 HG SER 67 HG SER 67 -0.106 -0.437 -8.412 475 H VAL 68 H VAL 68 0.432 2.135 -4.162 476 HA VAL 68 HA VAL 68 -1.544 0.804 -2.389 477 HB VAL 68 HB VAL 68 0.207 2.972 -1.347 478 HG11 VAL 68 1HG1 VAL 68 -1.532 2.150 0.015 479 HG12 VAL 68 2HG1 VAL 68 -0.867 0.495 -0.039 480 HG13 VAL 68 3HG1 VAL 68 0.031 1.790 0.766 481 HG21 VAL 68 3HG2 VAL 68 1.974 1.552 -2.351 482 HG22 VAL 68 1HG2 VAL 68 2.022 1.656 -0.597 483 HG23 VAL 68 2HG2 VAL 68 1.381 0.183 -1.368 484 H SER 69 H SER 69 -3.315 2.247 -1.795 485 HA SER 69 HA SER 69 -3.107 5.026 -2.647 486 HB2 SER 69 1HB SER 69 -4.911 4.953 -4.140 487 HB3 SER 69 2HB SER 69 -3.932 3.554 -4.598 488 HG SER 69 HG SER 69 -6.039 2.918 -4.563 489 H VAL 70 H VAL 70 -4.493 6.388 -1.364 490 HA VAL 70 HA VAL 70 -6.709 5.263 0.047 491 HB VAL 70 HB VAL 70 -5.171 4.474 1.601 492 HG11 VAL 70 1HG1 VAL 70 -3.869 7.112 2.213 493 HG12 VAL 70 2HG1 VAL 70 -3.381 5.492 2.649 494 HG13 VAL 70 3HG1 VAL 70 -3.168 6.047 0.976 495 HG21 VAL 70 3HG2 VAL 70 -7.138 5.642 2.547 496 HG22 VAL 70 1HG2 VAL 70 -5.751 5.551 3.633 497 HG23 VAL 70 2HG2 VAL 70 -6.123 7.079 2.788 498 H TRP 71 H TRP 71 -8.156 6.819 0.695 499 HA TRP 71 HA TRP 71 -8.006 9.336 -0.705 500 HB2 TRP 71 1HB TRP 71 -10.119 7.939 0.980 501 HB3 TRP 71 2HB TRP 71 -10.357 9.491 0.193 502 HD1 TRP 71 HD TRP 71 -10.457 5.830 -0.529 503 HE1 TRP 71 1HE TRP 71 -11.108 5.424 -2.995 504 HE3 TRP 71 3HE TRP 71 -10.018 10.586 -2.258 505 HZ2 TRP 71 2HZ TRP 71 -10.907 6.893 -5.462 506 HZ3 TRP 71 3HZ TRP 71 -10.230 11.077 -4.703 507 HH2 TRP 71 HH TRP 71 -10.522 9.174 -6.312 508 H THR 72 H THR 72 -6.266 10.420 0.592 509 HA THR 72 HA THR 72 -7.027 10.836 3.446 510 HB THR 72 HB THR 72 -4.933 9.647 2.987 511 HG1 THR 72 1HG THR 72 -4.098 10.496 4.777 512 HG21 THR 72 3HG2 THR 72 -4.167 11.226 1.103 513 HG22 THR 72 1HG2 THR 72 -2.964 10.738 2.310 514 HG23 THR 72 2HG2 THR 72 -3.693 12.350 2.388 515 H GLY 73 H GLY 73 -8.303 12.425 3.537 516 HA2 GLY 73 1HA GLY 73 -9.158 14.535 3.525 517 HA3 GLY 73 2HA GLY 73 -7.546 14.796 4.206 518 H GLY 74 H GLY 74 -8.361 14.151 0.808 519 HA2 GLY 74 1HA GLY 74 -7.995 16.845 -0.198 520 HA3 GLY 74 2HA GLY 74 -6.499 15.883 -0.230 521 H ALA 75 H ALA 75 -6.892 13.528 -1.009 522 HA ALA 75 HA ALA 75 -9.038 12.739 -2.599 523 HB1 ALA 75 1HB ALA 75 -8.235 12.760 -4.847 524 HB2 ALA 75 2HB ALA 75 -8.111 14.417 -4.294 525 HB3 ALA 75 3HB ALA 75 -6.652 13.389 -4.365 526 H LEU 76 H LEU 76 -7.653 10.968 -4.331 527 HA LEU 76 HA LEU 76 -6.533 9.045 -2.452 528 HB2 LEU 76 1HB LEU 76 -8.140 8.511 -4.317 529 HB3 LEU 76 2HB LEU 76 -6.899 8.968 -5.435 530 HG LEU 76 HG LEU 76 -5.491 7.121 -4.057 531 HD11 LEU 76 1HD1 LEU 76 -7.477 6.990 -2.381 532 HD12 LEU 76 2HD1 LEU 76 -6.853 5.438 -2.982 533 HD13 LEU 76 3HD1 LEU 76 -8.327 6.112 -3.655 534 HD21 LEU 76 3HD2 LEU 76 -5.918 6.687 -6.361 535 HD22 LEU 76 1HD2 LEU 76 -7.677 6.549 -6.100 536 HD23 LEU 76 2HD2 LEU 76 -6.593 5.282 -5.524 537 H CYS 77 H CYS 77 -4.612 9.917 -1.808 538 HA CYS 77 HA CYS 77 -2.442 10.502 -3.717 539 HB2 CYS 77 1HB CYS 77 -2.700 10.632 -0.804 540 HB3 CYS 77 2HB CYS 77 -1.339 9.628 -1.268 541 HG CYS 77 HG CYS 77 -0.717 12.154 -0.662 542 H ARG 78 H ARG 78 -1.222 8.892 -4.607 543 HA ARG 78 HA ARG 78 -1.474 6.199 -3.528 544 HB2 ARG 78 1HB ARG 78 -2.300 5.080 -5.338 545 HB3 ARG 78 2HB ARG 78 -3.119 6.592 -5.578 546 HG2 ARG 78 1HG ARG 78 -2.417 6.327 -7.651 547 HG3 ARG 78 2HG ARG 78 -0.933 7.081 -7.096 548 HD2 ARG 78 1HD ARG 78 0.290 5.098 -7.322 549 HD3 ARG 78 2HD ARG 78 -1.101 4.075 -6.951 550 HE ARG 78 HE ARG 78 -1.883 5.187 -9.264 551 HH11 ARG 78 1HH1 ARG 78 1.207 3.322 -8.665 552 HH12 ARG 78 2HH1 ARG 78 0.901 2.359 -10.034 553 HH21 ARG 78 1HH2 ARG 78 -1.710 4.320 -11.328 554 HH22 ARG 78 2HH2 ARG 78 -0.760 2.904 -11.582 555 H CYS 79 H CYS 79 0.240 4.785 -4.441 556 HA CYS 79 HA CYS 79 2.552 6.125 -5.575 557 HB2 CYS 79 1HB CYS 79 2.486 6.842 -3.116 558 HB3 CYS 79 2HB CYS 79 2.726 5.172 -2.673 559 HG CYS 79 HG CYS 79 5.070 4.892 -3.422 560 H ASP 80 H ASP 80 4.475 4.476 -5.299 561 HA ASP 80 HA ASP 80 3.449 1.792 -6.069 562 HB2 ASP 80 1HB ASP 80 5.818 3.436 -7.022 563 HB3 ASP 80 2HB ASP 80 5.526 1.763 -7.472 564 H GLY 81 H GLY 81 4.924 -0.005 -5.388 565 HA2 GLY 81 1HA GLY 81 7.083 0.509 -3.492 566 HA3 GLY 81 2HA GLY 81 5.551 -0.034 -2.751 567 H ARG 82 H ARG 82 7.386 -1.656 -2.197 568 HA ARG 82 HA ARG 82 6.802 -3.933 -3.899 569 HB2 ARG 82 1HB ARG 82 9.601 -3.711 -2.764 570 HB3 ARG 82 2HB ARG 82 8.913 -4.987 -3.757 571 HG2 ARG 82 1HG ARG 82 9.860 -4.000 -5.512 572 HG3 ARG 82 2HG ARG 82 8.562 -2.807 -5.424 573 HD2 ARG 82 1HD ARG 82 9.872 -1.163 -4.657 574 HD3 ARG 82 2HD ARG 82 10.834 -2.227 -3.640 575 HE ARG 82 HE ARG 82 12.059 -2.985 -5.606 576 HH11 ARG 82 1HH1 ARG 82 10.386 0.108 -6.004 577 HH12 ARG 82 2HH1 ARG 82 11.323 0.577 -7.369 578 HH21 ARG 82 1HH2 ARG 82 13.335 -2.280 -7.447 579 HH22 ARG 82 2HH2 ARG 82 13.185 -0.619 -7.952 580 H VAL 83 H VAL 83 6.796 -5.919 -2.558 581 HA VAL 83 HA VAL 83 5.578 -5.520 -0.057 582 HB VAL 83 HB VAL 83 6.784 -7.865 -1.482 583 HG11 VAL 83 1HG1 VAL 83 6.965 -8.457 0.885 584 HG12 VAL 83 2HG1 VAL 83 5.279 -7.974 1.150 585 HG13 VAL 83 3HG1 VAL 83 5.673 -9.363 0.094 586 HG21 VAL 83 3HG2 VAL 83 3.933 -7.053 -0.794 587 HG22 VAL 83 1HG2 VAL 83 4.706 -6.817 -2.370 588 HG23 VAL 83 2HG2 VAL 83 4.400 -8.451 -1.767 589 H GLU 84 H GLU 84 8.980 -5.961 -0.740 590 HA GLU 84 HA GLU 84 10.884 -5.743 0.424 591 HB2 GLU 84 1HB GLU 84 9.659 -3.779 1.620 592 HB3 GLU 84 2HB GLU 84 9.463 -4.894 2.949 593 HG2 GLU 84 1HG GLU 84 12.012 -5.309 2.790 594 HG3 GLU 84 2HG GLU 84 12.056 -3.955 1.653 595 H THR 85 H THR 85 8.389 -6.967 2.705 596 HA THR 85 HA THR 85 9.727 -9.571 2.964 597 HB THR 85 HB THR 85 9.304 -7.536 5.197 598 HG1 THR 85 1HG THR 85 11.548 -9.091 4.439 599 HG21 THR 85 3HG2 THR 85 10.028 -9.288 6.792 600 HG22 THR 85 1HG2 THR 85 9.870 -10.512 5.512 601 HG23 THR 85 2HG2 THR 85 8.449 -9.623 6.090 602 H LEU 86 H LEU 86 8.159 -11.104 3.107 603 HA LEU 86 HA LEU 86 5.357 -10.216 3.532 604 HB2 LEU 86 1HB LEU 86 6.041 -11.475 1.311 605 HB3 LEU 86 2HB LEU 86 6.167 -12.873 2.368 606 HG LEU 86 HG LEU 86 3.695 -11.954 3.109 607 HD11 LEU 86 1HD1 LEU 86 3.935 -10.038 1.448 608 HD12 LEU 86 2HD1 LEU 86 2.511 -11.042 1.212 609 HD13 LEU 86 3HD1 LEU 86 3.938 -11.222 0.149 610 HD21 LEU 86 3HD2 LEU 86 4.173 -13.617 0.618 611 HD22 LEU 86 1HD2 LEU 86 2.671 -13.532 1.576 612 HD23 LEU 86 2HD2 LEU 86 4.128 -14.218 2.304 613 H ARG 87 H ARG 87 4.200 -11.685 5.032 614 HA ARG 87 HA ARG 87 6.015 -13.284 6.777 615 HB2 ARG 87 1HB ARG 87 5.665 -11.255 7.929 616 HB3 ARG 87 2HB ARG 87 3.945 -11.216 7.561 617 HG2 ARG 87 1HG ARG 87 3.358 -12.492 9.300 618 HG3 ARG 87 2HG ARG 87 4.716 -13.605 9.124 619 HD2 ARG 87 1HD ARG 87 5.079 -10.786 10.192 620 HD3 ARG 87 2HD ARG 87 4.620 -12.127 11.240 621 HE ARG 87 HE ARG 87 7.239 -11.631 10.081 622 HH11 ARG 87 1HH1 ARG 87 5.108 -14.218 11.341 623 HH12 ARG 87 2HH1 ARG 87 6.427 -15.205 11.847 624 HH21 ARG 87 1HH2 ARG 87 8.903 -12.986 10.585 625 HH22 ARG 87 2HH2 ARG 87 8.640 -14.519 11.454 626 H ASP 88 H ASP 88 2.668 -12.794 5.604 627 HA ASP 88 HA ASP 88 2.323 -15.686 5.575 628 HB2 ASP 88 1HB ASP 88 0.593 -13.838 7.308 629 HB3 ASP 88 2HB ASP 88 0.062 -15.431 6.791 630 H ASP 89 H ASP 89 0.022 -16.056 4.673 631 HA ASP 89 HA ASP 89 -0.459 -14.539 2.280 632 HB2 ASP 89 1HB ASP 89 -2.323 -16.423 3.786 633 HB3 ASP 89 2HB ASP 89 -2.622 -15.781 2.189 634 H ARG 90 H ARG 90 -0.907 -13.455 5.403 635 HA ARG 90 HA ARG 90 -3.041 -11.579 4.605 636 HB2 ARG 90 1HB ARG 90 -3.964 -11.729 6.919 637 HB3 ARG 90 2HB ARG 90 -4.189 -13.191 5.968 638 HG2 ARG 90 1HG ARG 90 -2.467 -14.376 7.144 639 HG3 ARG 90 2HG ARG 90 -1.905 -12.921 7.941 640 HD2 ARG 90 1HD ARG 90 -3.159 -13.707 9.659 641 HD3 ARG 90 2HD ARG 90 -4.460 -12.853 8.842 642 HE ARG 90 HE ARG 90 -5.280 -14.909 7.945 643 HH11 ARG 90 1HH1 ARG 90 -2.933 -15.378 10.523 644 HH12 ARG 90 2HH1 ARG 90 -2.864 -17.110 10.385 645 HH21 ARG 90 1HH2 ARG 90 -5.097 -17.172 7.606 646 HH22 ARG 90 2HH2 ARG 90 -4.174 -18.157 8.680 647 H GLN 91 H GLN 91 0.170 -11.903 5.854 648 HA GLN 91 HA GLN 91 0.087 -9.176 7.017 649 HB2 GLN 91 1HB GLN 91 1.419 -11.721 8.035 650 HB3 GLN 91 2HB GLN 91 1.770 -10.109 8.659 651 HG2 GLN 91 1HG GLN 91 -0.411 -9.805 9.459 652 HG3 GLN 91 2HG GLN 91 -1.069 -11.177 8.657 653 HE21 GLN 91 1HE2 GLN 91 1.664 -10.606 10.995 654 HE22 GLN 91 2HE2 GLN 91 1.322 -12.073 11.900 655 H PHE 92 H PHE 92 1.792 -7.951 6.376 656 HA PHE 92 HA PHE 92 4.310 -8.883 5.472 657 HB2 PHE 92 1HB PHE 92 4.020 -8.265 3.041 658 HB3 PHE 92 2HB PHE 92 3.236 -9.735 3.545 659 HD1 PHE 92 1HD PHE 92 2.568 -6.180 2.713 660 HD2 PHE 92 2HD PHE 92 0.895 -10.106 3.274 661 HE1 PHE 92 1HE PHE 92 0.506 -5.394 1.727 662 HE2 PHE 92 2HE PHE 92 -1.273 -9.285 2.373 663 HZ PHE 92 HZ PHE 92 -1.495 -6.955 1.577 664 H ALA 93 H ALA 93 5.532 -7.102 4.428 665 HA ALA 93 HA ALA 93 4.806 -4.477 5.560 666 HB1 ALA 93 1HB ALA 93 7.404 -5.590 4.412 667 HB2 ALA 93 2HB ALA 93 7.178 -3.962 5.082 668 HB3 ALA 93 3HB ALA 93 7.028 -5.384 6.135 669 H ILE 94 H ILE 94 5.595 -2.623 4.078 670 HA ILE 94 HA ILE 94 6.015 -3.315 1.301 671 HB ILE 94 HB ILE 94 4.746 -1.173 0.632 672 HG12 ILE 94 1HG1 ILE 94 3.149 -1.783 3.162 673 HG13 ILE 94 2HG1 ILE 94 4.173 -0.367 2.904 674 HG21 ILE 94 1HG2 ILE 94 4.199 -3.561 0.028 675 HG22 ILE 94 2HG2 ILE 94 3.020 -3.548 1.365 676 HG23 ILE 94 3HG2 ILE 94 2.833 -2.441 -0.003 677 HD11 ILE 94 3HD1 ILE 94 1.899 0.296 2.531 678 HD12 ILE 94 1HD1 ILE 94 2.728 0.269 0.967 679 HD13 ILE 94 2HD1 ILE 94 1.616 -1.040 1.411 680 H ARG 95 H ARG 95 7.747 -2.356 0.656 681 HA ARG 95 HA ARG 95 8.987 0.034 1.953 682 HB2 ARG 95 1HB ARG 95 10.299 -1.948 0.754 683 HB3 ARG 95 2HB ARG 95 9.604 -1.354 -0.742 684 HG2 ARG 95 1HG ARG 95 11.671 -0.278 -0.721 685 HG3 ARG 95 2HG ARG 95 10.655 0.959 0.046 686 HD2 ARG 95 1HD ARG 95 11.262 -0.212 2.275 687 HD3 ARG 95 2HD ARG 95 12.497 -1.084 1.348 688 HE ARG 95 HE ARG 95 12.664 1.781 0.963 689 HH11 ARG 95 1HH1 ARG 95 13.427 -0.850 3.244 690 HH12 ARG 95 2HH1 ARG 95 14.762 -0.044 3.982 691 HH21 ARG 95 1HH2 ARG 95 14.240 2.977 2.139 692 HH22 ARG 95 2HH2 ARG 95 15.137 2.260 3.453 693 H LEU 96 H LEU 96 8.627 2.088 1.030 694 HA LEU 96 HA LEU 96 6.638 2.252 -1.186 695 HB2 LEU 96 1HB LEU 96 7.546 4.462 0.683 696 HB3 LEU 96 2HB LEU 96 6.181 4.483 -0.421 697 HG LEU 96 HG LEU 96 6.484 2.803 2.126 698 HD11 LEU 96 1HD1 LEU 96 4.684 4.213 3.011 699 HD12 LEU 96 2HD1 LEU 96 4.665 5.158 1.503 700 HD13 LEU 96 3HD1 LEU 96 6.096 5.177 2.556 701 HD21 LEU 96 3HD2 LEU 96 3.977 3.037 0.433 702 HD22 LEU 96 1HD2 LEU 96 4.252 2.021 1.853 703 HD23 LEU 96 2HD2 LEU 96 5.100 1.645 0.346 704 H VAL 97 H VAL 97 7.338 3.173 -3.182 705 HA VAL 97 HA VAL 97 10.095 4.238 -3.222 706 HB VAL 97 HB VAL 97 10.532 2.944 -5.243 707 HG11 VAL 97 1HG1 VAL 97 11.441 2.315 -3.054 708 HG12 VAL 97 2HG1 VAL 97 10.077 1.209 -2.790 709 HG13 VAL 97 3HG1 VAL 97 11.244 0.922 -4.102 710 HG21 VAL 97 3HG2 VAL 97 9.141 1.581 -6.283 711 HG22 VAL 97 1HG2 VAL 97 8.721 0.712 -4.791 712 HG23 VAL 97 2HG2 VAL 97 7.862 2.182 -5.271 713 H GLY 98 H GLY 98 10.458 5.878 -4.475 714 HA2 GLY 98 1HA GLY 98 10.200 7.156 -6.487 715 HA3 GLY 98 2HA GLY 98 8.475 6.749 -6.532 716 H ARG 99 H ARG 99 7.050 8.070 -5.476 717 HA ARG 99 HA ARG 99 7.668 9.641 -3.171 718 HB2 ARG 99 1HB ARG 99 8.640 10.946 -5.217 719 HB3 ARG 99 2HB ARG 99 6.976 11.194 -5.693 720 HG2 ARG 99 1HG ARG 99 7.969 11.981 -2.956 721 HG3 ARG 99 2HG ARG 99 8.302 12.997 -4.356 722 HD2 ARG 99 1HD ARG 99 5.528 12.461 -4.514 723 HD3 ARG 99 2HD ARG 99 5.856 12.759 -2.796 724 HE ARG 99 HE ARG 99 7.111 14.741 -4.460 725 HH11 ARG 99 1HH1 ARG 99 3.918 13.794 -3.244 726 HH12 ARG 99 2HH1 ARG 99 3.189 15.349 -3.489 727 HH21 ARG 99 1HH2 ARG 99 6.192 16.854 -4.686 728 HH22 ARG 99 2HH2 ARG 99 4.552 17.136 -4.245 729 H VAL 100 H VAL 100 5.577 10.246 -2.248 730 HA VAL 100 HA VAL 100 3.300 8.869 -3.515 731 HB VAL 100 HB VAL 100 3.489 10.330 -0.860 732 HG11 VAL 100 1HG1 VAL 100 1.155 10.151 -1.538 733 HG12 VAL 100 2HG1 VAL 100 1.355 8.449 -1.986 734 HG13 VAL 100 3HG1 VAL 100 1.433 8.940 -0.298 735 HG21 VAL 100 3HG2 VAL 100 3.608 7.321 -1.216 736 HG22 VAL 100 1HG2 VAL 100 5.021 8.339 -0.898 737 HG23 VAL 100 2HG2 VAL 100 3.711 8.231 0.284 738 H ARG 101 H ARG 101 1.540 10.007 -4.494 739 HA ARG 101 HA ARG 101 1.310 12.890 -4.065 740 HB2 ARG 101 1HB ARG 101 1.293 13.226 -6.623 741 HB3 ARG 101 2HB ARG 101 2.852 13.151 -5.805 742 HG2 ARG 101 1HG ARG 101 3.382 11.032 -6.680 743 HG3 ARG 101 2HG ARG 101 1.695 10.646 -7.027 744 HD2 ARG 101 1HD ARG 101 3.002 11.086 -9.080 745 HD3 ARG 101 2HD ARG 101 1.617 12.173 -8.880 746 HE ARG 101 HE ARG 101 4.193 13.162 -7.855 747 HH11 ARG 101 1HH1 ARG 101 2.171 13.084 -10.816 748 HH12 ARG 101 2HH1 ARG 101 2.662 14.662 -11.291 749 HH21 ARG 101 1HH2 ARG 101 4.896 15.093 -8.593 750 HH22 ARG 101 2HH2 ARG 101 4.342 15.784 -10.112 751 H GLU 102 H GLU 102 -0.665 13.762 -4.991 752 HA GLU 102 HA GLU 102 -2.892 11.860 -5.198 753 HB2 GLU 102 1HB GLU 102 -2.652 14.862 -5.658 754 HB3 GLU 102 2HB GLU 102 -4.086 13.916 -6.091 755 HG2 GLU 102 1HG GLU 102 -4.315 13.158 -3.743 756 HG3 GLU 102 2HG GLU 102 -2.966 14.217 -3.302 757 H LEU 103 H LEU 103 -3.557 10.901 -7.098 758 HA LEU 103 HA LEU 103 -3.119 12.477 -9.504 759 HB2 LEU 103 1HB LEU 103 -3.059 10.082 -10.660 760 HB3 LEU 103 2HB LEU 103 -1.676 11.093 -10.340 761 HG LEU 103 HG LEU 103 -2.448 8.993 -8.323 762 HD11 LEU 103 1HD1 LEU 103 -0.913 7.425 -9.570 763 HD12 LEU 103 2HD1 LEU 103 -0.925 8.561 -10.929 764 HD13 LEU 103 3HD1 LEU 103 -2.433 7.775 -10.422 765 HD21 LEU 103 3HD2 LEU 103 0.322 9.826 -9.262 766 HD22 LEU 103 1HD2 LEU 103 -0.170 9.141 -7.689 767 HD23 LEU 103 2HD2 LEU 103 -0.561 10.813 -8.112 768 H GLN 104 H GLN 104 -5.364 10.820 -7.462 769 HA GLN 104 HA GLN 104 -7.207 10.352 -9.782 770 HB2 GLN 104 1HB GLN 104 -6.609 8.539 -7.440 771 HB3 GLN 104 2HB GLN 104 -7.783 8.205 -8.699 772 HG2 GLN 104 1HG GLN 104 -4.824 8.539 -9.360 773 HG3 GLN 104 2HG GLN 104 -5.444 7.056 -8.676 774 HE21 GLN 104 1HE2 GLN 104 -4.890 8.613 -11.701 775 HE22 GLN 104 2HE2 GLN 104 -5.902 7.471 -12.597 776 H ARG 105 H ARG 105 -9.412 10.529 -9.366 777 HA ARG 105 HA ARG 105 -10.236 11.743 -6.788 778 HB2 ARG 105 1HB ARG 105 -10.456 13.039 -9.536 779 HB3 ARG 105 2HB ARG 105 -11.468 13.485 -8.175 780 HG2 ARG 105 1HG ARG 105 -9.834 15.053 -7.924 781 HG3 ARG 105 2HG ARG 105 -9.200 13.788 -6.882 782 HD2 ARG 105 1HD ARG 105 -7.851 13.055 -9.053 783 HD3 ARG 105 2HD ARG 105 -8.309 14.648 -9.654 784 HE ARG 105 HE ARG 105 -7.197 14.767 -7.001 785 HH11 ARG 105 1HH1 ARG 105 -6.333 14.762 -10.447 786 HH12 ARG 105 2HH1 ARG 105 -4.966 15.811 -10.213 787 HH21 ARG 105 1HH2 ARG 105 -5.276 15.872 -6.670 788 HH22 ARG 105 2HH2 ARG 105 -4.353 16.448 -8.011 789 H ARG 106 H ARG 106 -12.538 11.880 -6.583 790 HA ARG 106 HA ARG 106 -13.721 9.304 -7.303 791 HB2 ARG 106 1HB ARG 106 -14.446 11.632 -5.492 792 HB3 ARG 106 2HB ARG 106 -15.609 10.328 -5.784 793 HG2 ARG 106 1HG ARG 106 -14.305 8.721 -4.663 794 HG3 ARG 106 2HG ARG 106 -12.831 9.603 -4.953 795 HD2 ARG 106 1HD ARG 106 -13.378 9.688 -2.585 796 HD3 ARG 106 2HD ARG 106 -13.374 11.295 -3.330 797 HE ARG 106 HE ARG 106 -15.977 10.025 -3.334 798 HH11 ARG 106 1HH1 ARG 106 -13.786 11.961 -1.268 799 HH12 ARG 106 2HH1 ARG 106 -15.110 12.829 -0.525 800 HH21 ARG 106 1HH2 ARG 106 -17.558 11.569 -2.650 801 HH22 ARG 106 2HH2 ARG 106 -17.179 12.698 -1.411 802 H GLU 107 H GLU 107 -15.197 8.995 -8.875 803 HA GLU 107 HA GLU 107 -15.899 11.195 -10.626 804 HB2 GLU 107 1HB GLU 107 -16.554 8.226 -10.686 805 HB3 GLU 107 2HB GLU 107 -16.910 9.386 -11.981 806 HG2 GLU 107 1HG GLU 107 -14.535 9.906 -12.231 807 HG3 GLU 107 2HG GLU 107 -14.111 8.783 -10.933 808 H TYR 108 H TYR 108 -17.115 11.453 -7.986 809 HA TYR 108 HA TYR 108 -20.020 11.176 -8.575 810 HB2 TYR 108 1HB TYR 108 -18.512 10.140 -6.148 811 HB3 TYR 108 2HB TYR 108 -20.261 10.327 -6.189 812 HD1 TYR 108 2HD TYR 108 -21.667 9.063 -7.821 813 HD2 TYR 108 1HD TYR 108 -17.480 8.219 -7.240 814 HE1 TYR 108 2HE TYR 108 -21.992 6.819 -8.805 815 HE2 TYR 108 1HE TYR 108 -17.794 5.965 -8.256 816 HH TYR 108 HH TYR 108 -19.395 4.791 -9.739 817 H PHE 109 H PHE 109 -18.070 13.480 -8.417 818 HA PHE 109 HA PHE 109 -17.865 15.547 -7.750 819 HB2 PHE 109 1HB PHE 109 -20.703 15.197 -7.627 820 HB3 PHE 109 2HB PHE 109 -20.219 16.249 -6.322 821 HD1 PHE 109 2HD PHE 109 -18.709 18.268 -6.848 822 HD2 PHE 109 1HD PHE 109 -20.669 15.945 -9.887 823 HE1 PHE 109 2HE PHE 109 -18.308 20.086 -8.494 824 HE2 PHE 109 1HE PHE 109 -20.246 17.743 -11.547 825 HZ PHE 109 HZ PHE 109 -19.043 19.829 -10.847 Start of MODEL 3 1 H1 GLY 1 H GLY 1 14.892 18.509 -4.725 2 HA2 GLY 1 1HA GLY 1 16.354 20.147 -3.778 3 HA3 GLY 1 2HA GLY 1 15.131 21.396 -4.115 4 H MET 2 H MET 2 16.411 20.415 -1.512 5 HA MET 2 HA MET 2 15.994 19.641 0.502 6 HB2 MET 2 1HB MET 2 13.090 20.448 0.081 7 HB3 MET 2 2HB MET 2 13.845 20.002 1.610 8 HG2 MET 2 1HG MET 2 15.418 21.893 1.425 9 HG3 MET 2 2HG MET 2 14.685 22.358 -0.110 10 HE1 MET 2 3HE MET 2 12.599 22.720 4.030 11 HE2 MET 2 1HE MET 2 12.970 21.150 3.314 12 HE3 MET 2 2HE MET 2 14.293 22.227 3.806 13 H SER 3 H SER 3 14.049 18.024 1.628 14 HA SER 3 HA SER 3 13.198 16.015 1.776 15 HB2 SER 3 1HB SER 3 12.667 16.306 -1.193 16 HB3 SER 3 2HB SER 3 11.854 15.178 -0.093 17 HG SER 3 HG SER 3 10.833 17.348 -0.517 18 H ALA 4 H ALA 4 14.526 15.297 -1.432 19 HA ALA 4 HA ALA 4 15.991 13.867 -2.298 20 HB1 ALA 4 1HB ALA 4 18.048 13.281 -1.142 21 HB2 ALA 4 2HB ALA 4 17.687 14.993 -0.898 22 HB3 ALA 4 3HB ALA 4 17.393 13.823 0.404 23 H ASP 5 H ASP 5 14.925 12.817 0.873 24 HA ASP 5 HA ASP 5 14.887 9.949 0.161 25 HB2 ASP 5 1HB ASP 5 14.664 11.615 2.669 26 HB3 ASP 5 2HB ASP 5 13.954 10.013 2.682 27 H GLY 6 H GLY 6 12.677 9.131 1.493 28 HA2 GLY 6 1HA GLY 6 10.347 10.008 -0.041 29 HA3 GLY 6 2HA GLY 6 10.435 8.775 1.233 30 H SER 7 H SER 7 9.991 9.362 3.408 31 HA SER 7 HA SER 7 8.972 10.533 5.021 32 HB2 SER 7 1HB SER 7 11.080 12.007 4.634 33 HB3 SER 7 2HB SER 7 9.947 13.139 3.865 34 HG SER 7 HG SER 7 10.157 13.710 5.931 35 H GLU 8 H GLU 8 7.501 12.783 5.139 36 HA GLU 8 HA GLU 8 5.287 13.333 4.956 37 HB2 GLU 8 1HB GLU 8 5.869 13.188 1.972 38 HB3 GLU 8 2HB GLU 8 4.477 13.945 2.737 39 HG2 GLU 8 1HG GLU 8 5.611 15.856 2.934 40 HG3 GLU 8 2HG GLU 8 6.737 15.096 4.045 41 H TYR 9 H TYR 9 6.219 10.264 4.169 42 HA TYR 9 HA TYR 9 3.896 9.186 3.011 43 HB2 TYR 9 1HB TYR 9 5.875 7.872 4.963 44 HB3 TYR 9 2HB TYR 9 4.748 7.004 3.940 45 HD1 TYR 9 1HD TYR 9 5.134 8.447 1.322 46 HD2 TYR 9 2HD TYR 9 7.984 7.066 4.247 47 HE1 TYR 9 1HE TYR 9 6.736 7.953 -0.493 48 HE2 TYR 9 2HE TYR 9 9.623 6.675 2.458 49 HH TYR 9 HH TYR 9 9.033 7.437 -0.926 50 H GLY 10 H GLY 10 4.730 9.818 6.413 51 HA2 GLY 10 1HA GLY 10 2.431 8.330 7.416 52 HA3 GLY 10 2HA GLY 10 3.693 9.123 8.345 53 H ARG 11 H ARG 11 2.651 11.463 6.221 54 HA ARG 11 HA ARG 11 0.511 12.477 8.018 55 HB2 ARG 11 1HB ARG 11 0.584 14.431 6.398 56 HB3 ARG 11 2HB ARG 11 1.916 14.241 7.491 57 HG2 ARG 11 1HG ARG 11 3.285 13.386 5.682 58 HG3 ARG 11 2HG ARG 11 1.919 13.518 4.549 59 HD2 ARG 11 1HD ARG 11 3.174 15.800 6.098 60 HD3 ARG 11 2HD ARG 11 3.565 15.417 4.415 61 HE ARG 11 HE ARG 11 0.859 15.718 4.354 62 HH11 ARG 11 1HH1 ARG 11 3.395 17.850 5.748 63 HH12 ARG 11 2HH1 ARG 11 2.658 19.284 5.115 64 HH21 ARG 11 1HH2 ARG 11 -0.247 17.772 3.805 65 HH22 ARG 11 2HH2 ARG 11 0.443 19.203 4.452 66 H TYR 12 H TYR 12 1.009 10.684 5.089 67 HA TYR 12 HA TYR 12 -1.751 11.204 4.174 68 HB2 TYR 12 1HB TYR 12 0.586 9.758 2.878 69 HB3 TYR 12 2HB TYR 12 -0.945 10.157 2.113 70 HD1 TYR 12 2HD TYR 12 -0.885 13.096 3.628 71 HD2 TYR 12 1HD TYR 12 1.819 10.846 1.187 72 HE1 TYR 12 2HE TYR 12 -0.130 15.192 2.564 73 HE2 TYR 12 1HE TYR 12 2.735 12.917 0.232 74 HH TYR 12 HH TYR 12 0.870 15.897 0.429 75 H PHE 13 H PHE 13 0.460 8.485 4.885 76 HA PHE 13 HA PHE 13 -1.814 6.612 5.141 77 HB2 PHE 13 1HB PHE 13 1.190 6.169 5.446 78 HB3 PHE 13 2HB PHE 13 -0.052 4.928 5.391 79 HD1 PHE 13 2HD PHE 13 -1.608 5.091 3.159 80 HD2 PHE 13 1HD PHE 13 2.445 6.509 3.453 81 HE1 PHE 13 2HE PHE 13 -1.381 4.961 0.698 82 HE2 PHE 13 1HE PHE 13 2.675 6.333 0.991 83 HZ PHE 13 HZ PHE 13 0.722 5.623 -0.391 84 H GLU 14 H GLU 14 -1.974 5.518 7.272 85 HA GLU 14 HA GLU 14 -0.640 6.813 9.530 86 HB2 GLU 14 1HB GLU 14 -2.697 8.096 9.096 87 HB3 GLU 14 2HB GLU 14 -3.648 6.619 9.216 88 HG2 GLU 14 1HG GLU 14 -3.044 6.420 11.595 89 HG3 GLU 14 2HG GLU 14 -2.112 7.927 11.471 90 H GLN 15 H GLN 15 -0.847 5.440 11.325 91 HA GLN 15 HA GLN 15 -0.095 2.783 10.605 92 HB2 GLN 15 1HB GLN 15 0.613 4.248 12.598 93 HB3 GLN 15 2HB GLN 15 -0.857 3.649 13.401 94 HG2 GLN 15 1HG GLN 15 -0.035 1.315 12.973 95 HG3 GLN 15 2HG GLN 15 1.448 1.988 12.284 96 HE21 GLN 15 1HE2 GLN 15 0.344 0.485 14.932 97 HE22 GLN 15 2HE2 GLN 15 1.068 1.428 16.230 98 H LEU 16 H LEU 16 -3.181 3.920 11.354 99 HA LEU 16 HA LEU 16 -4.295 1.153 11.435 100 HB2 LEU 16 1HB LEU 16 -5.411 3.613 12.850 101 HB3 LEU 16 2HB LEU 16 -6.001 1.973 13.011 102 HG LEU 16 HG LEU 16 -3.303 3.004 14.023 103 HD11 LEU 16 1HD1 LEU 16 -4.382 2.697 16.263 104 HD12 LEU 16 2HD1 LEU 16 -5.930 2.432 15.429 105 HD13 LEU 16 3HD1 LEU 16 -5.101 3.987 15.284 106 HD21 LEU 16 3HD2 LEU 16 -4.709 0.337 14.405 107 HD22 LEU 16 1HD2 LEU 16 -3.195 0.845 15.215 108 HD23 LEU 16 2HD2 LEU 16 -3.232 0.623 13.455 109 H GLN 17 H GLN 17 -3.932 3.539 9.304 110 HA GLN 17 HA GLN 17 -6.754 3.981 8.534 111 HB2 GLN 17 1HB GLN 17 -4.078 4.974 7.645 112 HB3 GLN 17 2HB GLN 17 -5.257 4.647 6.388 113 HG2 GLN 17 1HG GLN 17 -6.877 6.120 7.302 114 HG3 GLN 17 2HG GLN 17 -5.883 6.406 8.731 115 HE21 GLN 17 1HE2 GLN 17 -4.114 6.261 5.632 116 HE22 GLN 17 2HE2 GLN 17 -3.865 7.985 5.554 117 H LYS 18 H LYS 18 -7.205 3.381 6.214 118 HA LYS 18 HA LYS 18 -6.359 0.562 5.739 119 HB2 LYS 18 1HB LYS 18 -8.734 2.223 4.822 120 HB3 LYS 18 2HB LYS 18 -8.182 0.826 3.884 121 HG2 LYS 18 1HG LYS 18 -9.776 -0.103 5.267 122 HG3 LYS 18 2HG LYS 18 -8.263 -0.550 5.989 123 HD2 LYS 18 1HD LYS 18 -9.392 -0.045 7.860 124 HD3 LYS 18 2HD LYS 18 -8.718 1.537 7.614 125 HE2 LYS 18 1HE LYS 18 -11.419 0.778 6.435 126 HE3 LYS 18 2HE LYS 18 -11.266 1.148 8.149 127 HZ1 LYS 18 3HZ LYS 18 -10.456 3.095 6.063 128 HZ2 LYS 18 1HZ LYS 18 -10.569 3.315 7.685 129 HZ3 LYS 18 2HZ LYS 18 -11.916 3.058 6.828 130 H VAL 19 H VAL 19 -5.665 -0.048 3.616 131 HA VAL 19 HA VAL 19 -5.240 2.052 1.671 132 HB VAL 19 HB VAL 19 -2.942 1.321 1.069 133 HG11 VAL 19 1HG1 VAL 19 -1.776 2.657 2.747 134 HG12 VAL 19 2HG1 VAL 19 -3.330 3.394 2.327 135 HG13 VAL 19 3HG1 VAL 19 -3.154 2.473 3.837 136 HG21 VAL 19 3HG2 VAL 19 -1.509 0.419 3.034 137 HG22 VAL 19 1HG2 VAL 19 -3.031 -0.204 3.708 138 HG23 VAL 19 2HG2 VAL 19 -2.447 -0.709 2.111 139 H ASN 20 H ASN 20 -4.715 1.138 -0.412 140 HA ASN 20 HA ASN 20 -6.314 -1.139 -1.157 141 HB2 ASN 20 1HB ASN 20 -5.907 1.143 -2.358 142 HB3 ASN 20 2HB ASN 20 -4.328 0.487 -2.798 143 HD21 ASN 20 1HD2 ASN 20 -7.456 -1.422 -2.717 144 HD22 ASN 20 2HD2 ASN 20 -7.199 -1.874 -4.379 145 H LEU 21 H LEU 21 -5.178 -2.740 -3.017 146 HA LEU 21 HA LEU 21 -2.559 -3.647 -1.976 147 HB2 LEU 21 1HB LEU 21 -5.035 -5.341 -2.190 148 HB3 LEU 21 2HB LEU 21 -3.463 -6.039 -2.062 149 HG LEU 21 HG LEU 21 -4.739 -4.338 0.034 150 HD11 LEU 21 1HD1 LEU 21 -4.107 -7.333 -0.132 151 HD12 LEU 21 2HD1 LEU 21 -5.724 -6.603 -0.159 152 HD13 LEU 21 3HD1 LEU 21 -4.724 -6.500 1.296 153 HD21 LEU 21 3HD2 LEU 21 -2.066 -5.885 -0.033 154 HD22 LEU 21 1HD2 LEU 21 -2.763 -5.156 1.426 155 HD23 LEU 21 2HD2 LEU 21 -2.223 -4.128 0.093 156 H THR 22 H THR 22 -3.226 -2.395 -4.644 157 HA THR 22 HA THR 22 -3.677 -4.459 -6.526 158 HB THR 22 HB THR 22 -2.411 -1.740 -6.967 159 HG1 THR 22 1HG THR 22 -4.877 -2.382 -6.258 160 HG21 THR 22 3HG2 THR 22 -1.987 -3.219 -8.911 161 HG22 THR 22 1HG2 THR 22 -3.184 -1.995 -9.314 162 HG23 THR 22 2HG2 THR 22 -3.705 -3.661 -8.963 163 H VAL 23 H VAL 23 -2.347 -6.179 -6.688 164 HA VAL 23 HA VAL 23 0.609 -5.846 -6.720 165 HB VAL 23 HB VAL 23 -1.166 -8.338 -6.626 166 HG11 VAL 23 1HG1 VAL 23 0.898 -9.552 -5.915 167 HG12 VAL 23 2HG1 VAL 23 0.970 -8.956 -7.554 168 HG13 VAL 23 3HG1 VAL 23 1.846 -8.089 -6.287 169 HG21 VAL 23 3HG2 VAL 23 -0.322 -6.549 -4.496 170 HG22 VAL 23 1HG2 VAL 23 -1.462 -7.897 -4.453 171 HG23 VAL 23 2HG2 VAL 23 0.291 -8.161 -4.205 172 H ARG 24 H ARG 24 1.881 -6.326 -8.550 173 HA ARG 24 HA ARG 24 0.529 -6.932 -11.102 174 HB2 ARG 24 1HB ARG 24 2.621 -5.585 -11.129 175 HB3 ARG 24 2HB ARG 24 3.459 -6.845 -10.204 176 HG2 ARG 24 1HG ARG 24 3.200 -8.385 -12.071 177 HG3 ARG 24 2HG ARG 24 2.347 -7.145 -13.009 178 HD2 ARG 24 1HD ARG 24 4.466 -5.761 -12.853 179 HD3 ARG 24 2HD ARG 24 5.225 -7.108 -11.995 180 HE ARG 24 HE ARG 24 5.472 -8.219 -13.979 181 HH11 ARG 24 1HH1 ARG 24 3.220 -5.510 -14.584 182 HH12 ARG 24 2HH1 ARG 24 3.345 -5.644 -16.301 183 HH21 ARG 24 1HH2 ARG 24 5.531 -8.499 -16.099 184 HH22 ARG 24 2HH2 ARG 24 4.522 -7.613 -17.213 185 H LEU 25 H LEU 25 -0.189 -8.971 -11.430 186 HA LEU 25 HA LEU 25 1.624 -11.206 -10.718 187 HB2 LEU 25 1HB LEU 25 -1.247 -10.915 -11.469 188 HB3 LEU 25 2HB LEU 25 -0.435 -12.437 -11.453 189 HG LEU 25 HG LEU 25 -1.438 -12.430 -9.511 190 HD11 LEU 25 1HD1 LEU 25 0.921 -12.794 -8.912 191 HD12 LEU 25 2HD1 LEU 25 0.090 -11.965 -7.563 192 HD13 LEU 25 3HD1 LEU 25 1.141 -11.063 -8.614 193 HD21 LEU 25 3HD2 LEU 25 -1.780 -10.786 -7.795 194 HD22 LEU 25 1HD2 LEU 25 -2.589 -10.602 -9.334 195 HD23 LEU 25 2HD2 LEU 25 -1.165 -9.566 -8.941 196 H GLY 26 H GLY 26 3.095 -10.352 -12.382 197 HA2 GLY 26 1HA GLY 26 2.442 -10.251 -15.112 198 HA3 GLY 26 2HA GLY 26 3.997 -10.883 -14.483 199 H ASP 27 H ASP 27 1.896 -11.686 -16.582 200 HA ASP 27 HA ASP 27 1.116 -13.484 -17.657 201 HB2 ASP 27 1HB ASP 27 3.133 -14.932 -15.938 202 HB3 ASP 27 2HB ASP 27 2.251 -15.679 -17.285 203 H THR 28 H THR 28 0.330 -13.242 -14.432 204 HA THR 28 HA THR 28 -1.591 -15.528 -14.681 205 HB THR 28 HB THR 28 -1.417 -15.122 -12.008 206 HG1 THR 28 1HG THR 28 1.138 -14.504 -13.122 207 HG21 THR 28 3HG2 THR 28 0.060 -17.081 -11.964 208 HG22 THR 28 1HG2 THR 28 0.482 -16.840 -13.675 209 HG23 THR 28 2HG2 THR 28 -1.172 -17.274 -13.216 210 H GLY 29 H GLY 29 -1.200 -12.161 -13.785 211 HA2 GLY 29 1HA GLY 29 -2.750 -10.593 -14.498 212 HA3 GLY 29 2HA GLY 29 -4.105 -11.755 -14.314 213 H SER 30 H SER 30 -3.298 -8.981 -13.324 214 HA SER 30 HA SER 30 -2.217 -9.049 -10.789 215 HB2 SER 30 1HB SER 30 -3.609 -6.589 -11.022 216 HB3 SER 30 2HB SER 30 -1.932 -6.927 -11.394 217 HG SER 30 HG SER 30 -2.452 -7.368 -13.512 218 H PHE 31 H PHE 31 -3.162 -8.071 -8.768 219 HA PHE 31 HA PHE 31 -5.914 -9.077 -8.256 220 HB2 PHE 31 1HB PHE 31 -4.231 -10.740 -7.494 221 HB3 PHE 31 2HB PHE 31 -3.380 -9.539 -6.563 222 HD1 PHE 31 2HD PHE 31 -6.557 -11.440 -6.868 223 HD2 PHE 31 1HD PHE 31 -4.226 -8.789 -4.380 224 HE1 PHE 31 2HE PHE 31 -8.198 -11.727 -5.017 225 HE2 PHE 31 1HE PHE 31 -5.914 -9.051 -2.548 226 HZ PHE 31 HZ PHE 31 -7.898 -10.486 -2.889 227 H ASP 32 H ASP 32 -7.062 -7.653 -6.921 228 HA ASP 32 HA ASP 32 -5.492 -5.611 -5.484 229 HB2 ASP 32 1HB ASP 32 -6.369 -4.590 -7.604 230 HB3 ASP 32 2HB ASP 32 -8.012 -4.979 -7.070 231 H GLY 33 H GLY 33 -6.385 -4.912 -3.597 232 HA2 GLY 33 1HA GLY 33 -8.929 -5.878 -2.551 233 HA3 GLY 33 2HA GLY 33 -7.508 -6.721 -1.895 234 H THR 34 H THR 34 -8.136 -5.710 0.205 235 HA THR 34 HA THR 34 -7.159 -2.911 0.456 236 HB THR 34 HB THR 34 -9.539 -4.001 1.981 237 HG1 THR 34 1HG THR 34 -10.581 -4.034 0.306 238 HG21 THR 34 3HG2 THR 34 -10.186 -1.654 2.189 239 HG22 THR 34 1HG2 THR 34 -8.706 -1.150 1.329 240 HG23 THR 34 2HG2 THR 34 -8.601 -1.954 2.914 241 H ALA 35 H ALA 35 -6.412 -2.539 2.764 242 HA ALA 35 HA ALA 35 -6.900 -4.665 4.564 243 HB1 ALA 35 1HB ALA 35 -4.619 -5.026 5.407 244 HB2 ALA 35 2HB ALA 35 -4.615 -5.415 3.677 245 HB3 ALA 35 3HB ALA 35 -3.948 -3.874 4.243 246 H ALA 36 H ALA 36 -6.366 -4.028 6.760 247 HA ALA 36 HA ALA 36 -6.260 -1.111 7.273 248 HB1 ALA 36 1HB ALA 36 -6.303 -1.790 9.632 249 HB2 ALA 36 2HB ALA 36 -7.683 -2.513 8.763 250 HB3 ALA 36 3HB ALA 36 -6.262 -3.506 9.165 251 H ILE 37 H ILE 37 -4.336 -0.163 7.886 252 HA ILE 37 HA ILE 37 -1.795 -1.600 7.758 253 HB ILE 37 HB ILE 37 -2.584 1.238 8.605 254 HG12 ILE 37 1HG1 ILE 37 -1.222 0.206 6.077 255 HG13 ILE 37 2HG1 ILE 37 -2.895 0.709 6.150 256 HG21 ILE 37 1HG2 ILE 37 0.237 0.223 8.022 257 HG22 ILE 37 2HG2 ILE 37 -0.253 1.852 8.579 258 HG23 ILE 37 3HG2 ILE 37 -0.383 0.505 9.646 259 HD11 ILE 37 3HD1 ILE 37 -0.546 2.601 6.622 260 HD12 ILE 37 1HD1 ILE 37 -1.404 2.392 5.124 261 HD13 ILE 37 2HD1 ILE 37 -2.282 3.008 6.540 262 H THR 38 H THR 38 -0.511 -1.762 9.640 263 HA THR 38 HA THR 38 -1.834 -1.754 12.286 264 HB THR 38 HB THR 38 -0.651 -3.885 12.830 265 HG1 THR 38 1HG THR 38 1.053 -3.654 11.361 266 HG21 THR 38 3HG2 THR 38 -1.955 -5.479 11.541 267 HG22 THR 38 1HG2 THR 38 -2.262 -4.291 10.272 268 HG23 THR 38 2HG2 THR 38 -2.965 -4.061 11.886 269 H SER 39 H SER 39 1.088 -1.411 10.352 270 HA SER 39 HA SER 39 2.509 -0.097 12.565 271 HB2 SER 39 1HB SER 39 3.970 -2.110 10.877 272 HB3 SER 39 2HB SER 39 4.324 -1.563 12.511 273 HG SER 39 HG SER 39 3.289 -3.221 13.222 274 H LEU 40 H LEU 40 4.097 1.366 11.694 275 HA LEU 40 HA LEU 40 4.259 1.909 8.868 276 HB2 LEU 40 1HB LEU 40 1.946 2.661 9.214 277 HB3 LEU 40 2HB LEU 40 2.461 3.619 10.598 278 HG LEU 40 HG LEU 40 3.856 5.047 9.048 279 HD11 LEU 40 1HD1 LEU 40 3.337 4.894 6.587 280 HD12 LEU 40 2HD1 LEU 40 2.478 3.387 6.902 281 HD13 LEU 40 3HD1 LEU 40 4.229 3.486 7.192 282 HD21 LEU 40 3HD2 LEU 40 0.913 4.803 8.343 283 HD22 LEU 40 1HD2 LEU 40 1.934 6.225 8.055 284 HD23 LEU 40 2HD2 LEU 40 1.589 5.722 9.711 285 H LYS 41 H LYS 41 6.422 2.218 9.077 286 HA LYS 41 HA LYS 41 7.407 4.303 10.935 287 HB2 LYS 41 1HB LYS 41 8.023 1.915 11.662 288 HB3 LYS 41 2HB LYS 41 9.009 1.831 10.198 289 HG2 LYS 41 1HG LYS 41 9.996 4.126 11.015 290 HG3 LYS 41 2HG LYS 41 9.205 3.769 12.547 291 HD2 LYS 41 1HD LYS 41 11.469 3.100 12.757 292 HD3 LYS 41 2HD LYS 41 10.536 1.598 12.620 293 HE2 LYS 41 1HE LYS 41 11.217 1.248 10.361 294 HE3 LYS 41 2HE LYS 41 11.731 2.931 10.158 295 HZ1 LYS 41 3HZ LYS 41 13.608 2.553 11.505 296 HZ2 LYS 41 1HZ LYS 41 13.543 1.260 10.471 297 HZ3 LYS 41 2HZ LYS 41 13.086 1.086 12.022 298 H GLY 42 H GLY 42 6.853 5.615 9.064 299 HA2 GLY 42 1HA GLY 42 7.534 6.910 7.341 300 HA3 GLY 42 2HA GLY 42 9.143 6.216 7.529 301 H SER 43 H SER 43 9.880 5.140 5.794 302 HA SER 43 HA SER 43 8.340 4.424 3.417 303 HB2 SER 43 1HB SER 43 10.541 3.403 2.810 304 HB3 SER 43 2HB SER 43 10.649 5.105 3.221 305 HG SER 43 HG SER 43 12.304 3.824 4.243 306 H LEU 44 H LEU 44 8.051 2.929 6.283 307 HA LEU 44 HA LEU 44 7.788 0.310 4.927 308 HB2 LEU 44 1HB LEU 44 9.900 0.490 6.321 309 HB3 LEU 44 2HB LEU 44 8.895 0.650 7.742 310 HG LEU 44 HG LEU 44 9.897 -1.589 7.203 311 HD11 LEU 44 1HD1 LEU 44 8.082 -1.331 8.847 312 HD12 LEU 44 2HD1 LEU 44 8.172 -2.923 8.063 313 HD13 LEU 44 3HD1 LEU 44 6.923 -1.778 7.576 314 HD21 LEU 44 3HD2 LEU 44 9.067 -3.081 5.609 315 HD22 LEU 44 1HD2 LEU 44 9.348 -1.565 4.746 316 HD23 LEU 44 2HD2 LEU 44 7.694 -2.042 5.221 317 H ALA 45 H ALA 45 5.898 -0.704 5.442 318 HA ALA 45 HA ALA 45 4.451 0.047 7.889 319 HB1 ALA 45 1HB ALA 45 2.282 0.253 6.771 320 HB2 ALA 45 2HB ALA 45 3.405 1.461 6.124 321 HB3 ALA 45 3HB ALA 45 3.035 0.010 5.190 322 H TRP 46 H TRP 46 2.718 -1.599 8.281 323 HA TRP 46 HA TRP 46 3.040 -4.193 6.879 324 HB2 TRP 46 1HB TRP 46 3.064 -3.743 9.868 325 HB3 TRP 46 2HB TRP 46 2.483 -5.220 9.203 326 HD1 TRP 46 HD TRP 46 5.780 -3.209 9.378 327 HE1 TRP 46 1HE TRP 46 7.773 -4.850 9.096 328 HE3 TRP 46 3HE TRP 46 3.205 -7.555 8.480 329 HZ2 TRP 46 2HZ TRP 46 8.179 -7.592 8.466 330 HZ3 TRP 46 3HZ TRP 46 4.410 -9.637 8.066 331 HH2 TRP 46 HH TRP 46 6.934 -9.677 8.039 332 H LEU 47 H LEU 47 1.089 -5.297 6.651 333 HA LEU 47 HA LEU 47 -1.410 -3.903 7.407 334 HB2 LEU 47 1HB LEU 47 -0.788 -5.867 5.164 335 HB3 LEU 47 2HB LEU 47 -2.301 -5.054 5.433 336 HG LEU 47 HG LEU 47 -1.403 -4.034 3.629 337 HD11 LEU 47 1HD1 LEU 47 -0.561 -2.156 5.867 338 HD12 LEU 47 2HD1 LEU 47 -2.225 -2.362 5.264 339 HD13 LEU 47 3HD1 LEU 47 -0.966 -1.708 4.200 340 HD21 LEU 47 3HD2 LEU 47 0.750 -3.302 3.172 341 HD22 LEU 47 1HD2 LEU 47 0.888 -4.930 3.840 342 HD23 LEU 47 2HD2 LEU 47 1.298 -3.533 4.849 343 H GLU 48 H GLU 48 -3.306 -5.443 7.529 344 HA GLU 48 HA GLU 48 -2.696 -8.280 7.767 345 HB2 GLU 48 1HB GLU 48 -2.367 -7.484 10.076 346 HB3 GLU 48 2HB GLU 48 -4.007 -6.814 10.111 347 HG2 GLU 48 1HG GLU 48 -4.954 -9.051 9.905 348 HG3 GLU 48 2HG GLU 48 -3.390 -9.757 9.592 349 H LEU 49 H LEU 49 -3.763 -7.443 5.669 350 HA LEU 49 HA LEU 49 -5.465 -7.386 4.261 351 HB2 LEU 49 1HB LEU 49 -5.393 -9.892 5.675 352 HB3 LEU 49 2HB LEU 49 -7.069 -9.583 5.277 353 HG LEU 49 HG LEU 49 -4.677 -9.763 3.414 354 HD11 LEU 49 1HD1 LEU 49 -5.872 -11.675 2.497 355 HD12 LEU 49 2HD1 LEU 49 -7.346 -11.290 3.408 356 HD13 LEU 49 3HD1 LEU 49 -5.902 -11.851 4.248 357 HD21 LEU 49 3HD2 LEU 49 -7.554 -9.016 2.607 358 HD22 LEU 49 1HD2 LEU 49 -6.271 -9.476 1.491 359 HD23 LEU 49 2HD2 LEU 49 -6.115 -7.993 2.397 360 H PHE 50 H PHE 50 -8.094 -7.892 4.088 361 HA PHE 50 HA PHE 50 -9.380 -6.170 6.146 362 HB2 PHE 50 1HB PHE 50 -8.875 -5.438 3.591 363 HB3 PHE 50 2HB PHE 50 -10.434 -6.201 3.332 364 HD1 PHE 50 2HD PHE 50 -8.883 -4.081 6.062 365 HD2 PHE 50 1HD PHE 50 -12.012 -4.442 3.116 366 HE1 PHE 50 2HE PHE 50 -9.894 -2.059 6.904 367 HE2 PHE 50 1HE PHE 50 -13.027 -2.341 3.938 368 HZ PHE 50 HZ PHE 50 -11.971 -1.132 5.842 369 H GLY 51 H GLY 51 -9.719 -9.188 4.516 370 HA2 GLY 51 1HA GLY 51 -11.221 -10.741 5.711 371 HA3 GLY 51 2HA GLY 51 -12.459 -9.481 5.661 372 H ALA 52 H ALA 52 -11.557 -12.248 4.258 373 HA ALA 52 HA ALA 52 -12.476 -13.543 2.769 374 HB1 ALA 52 1HB ALA 52 -14.640 -12.452 3.233 375 HB2 ALA 52 2HB ALA 52 -14.330 -11.317 1.894 376 HB3 ALA 52 3HB ALA 52 -14.504 -13.043 1.572 377 H GLU 53 H GLU 53 -12.000 -10.341 1.286 378 HA GLU 53 HA GLU 53 -11.240 -11.365 -1.334 379 HB2 GLU 53 1HB GLU 53 -11.113 -8.682 0.086 380 HB3 GLU 53 2HB GLU 53 -10.357 -8.920 -1.505 381 HG2 GLU 53 1HG GLU 53 -12.427 -9.407 -2.543 382 HG3 GLU 53 2HG GLU 53 -13.241 -9.645 -1.010 383 H GLN 54 H GLN 54 -9.533 -12.781 -1.203 384 HA GLN 54 HA GLN 54 -6.990 -11.725 -0.083 385 HB2 GLN 54 1HB GLN 54 -6.395 -13.747 0.944 386 HB3 GLN 54 2HB GLN 54 -8.002 -13.354 1.513 387 HG2 GLN 54 1HG GLN 54 -8.947 -15.074 -0.010 388 HG3 GLN 54 2HG GLN 54 -7.342 -15.394 -0.678 389 HE21 GLN 54 1HE2 GLN 54 -5.631 -15.727 1.365 390 HE22 GLN 54 2HE2 GLN 54 -6.093 -17.103 2.298 391 HA PRO 55 HA PRO 55 -5.280 -12.780 -3.971 392 HB2 PRO 55 1HB PRO 55 -2.613 -13.306 -3.348 393 HB3 PRO 55 2HB PRO 55 -3.332 -11.681 -3.380 394 HG2 PRO 55 1HG PRO 55 -2.854 -13.506 -1.018 395 HG3 PRO 55 2HG PRO 55 -2.579 -11.742 -1.134 396 HD2 PRO 55 1HD PRO 55 -4.741 -12.811 0.072 397 HD3 PRO 55 2HD PRO 55 -4.843 -11.261 -0.803 398 HA PRO 56 HA PRO 56 -4.900 -17.211 -4.506 399 HB2 PRO 56 1HB PRO 56 -3.003 -17.422 -6.553 400 HB3 PRO 56 2HB PRO 56 -4.748 -17.103 -6.767 401 HG2 PRO 56 1HG PRO 56 -2.437 -15.230 -6.808 402 HG3 PRO 56 2HG PRO 56 -3.918 -15.138 -7.782 403 HD2 PRO 56 1HD PRO 56 -3.355 -13.618 -5.526 404 HD3 PRO 56 2HD PRO 56 -4.995 -13.932 -6.111 405 HA PRO 57 HA PRO 57 -1.495 -18.294 -2.067 406 HB2 PRO 57 1HB PRO 57 -1.163 -20.960 -2.352 407 HB3 PRO 57 2HB PRO 57 -2.690 -20.265 -1.719 408 HG2 PRO 57 1HG PRO 57 -2.073 -21.055 -4.602 409 HG3 PRO 57 2HG PRO 57 -3.475 -21.544 -3.606 410 HD2 PRO 57 1HD PRO 57 -3.625 -19.445 -5.324 411 HD3 PRO 57 2HD PRO 57 -4.439 -19.395 -3.726 412 H ASN 58 H ASN 58 0.697 -18.940 -1.864 413 HA ASN 58 HA ASN 58 2.863 -18.683 -2.423 414 HB2 ASN 58 1HB ASN 58 2.046 -20.831 -4.391 415 HB3 ASN 58 2HB ASN 58 3.721 -20.348 -4.127 416 HD21 ASN 58 1HD2 ASN 58 1.592 -22.675 -3.165 417 HD22 ASN 58 2HD2 ASN 58 2.196 -22.941 -1.529 418 H THR 59 H THR 59 1.213 -16.709 -3.500 419 HA THR 59 HA THR 59 2.399 -16.118 -6.172 420 HB THR 59 HB THR 59 -0.274 -15.281 -4.964 421 HG1 THR 59 1HG THR 59 -0.086 -17.470 -5.819 422 HG21 THR 59 3HG2 THR 59 0.590 -13.511 -6.258 423 HG22 THR 59 1HG2 THR 59 -0.648 -14.317 -7.237 424 HG23 THR 59 2HG2 THR 59 1.059 -14.615 -7.578 425 H LEU 60 H LEU 60 1.202 -14.461 -3.142 426 HA LEU 60 HA LEU 60 2.630 -12.064 -3.635 427 HB2 LEU 60 1HB LEU 60 1.765 -13.389 -1.032 428 HB3 LEU 60 2HB LEU 60 2.596 -11.840 -1.124 429 HG LEU 60 HG LEU 60 -0.126 -12.396 -2.319 430 HD11 LEU 60 1HD1 LEU 60 -0.212 -12.208 0.118 431 HD12 LEU 60 2HD1 LEU 60 -0.806 -10.680 -0.583 432 HD13 LEU 60 3HD1 LEU 60 0.815 -10.757 0.077 433 HD21 LEU 60 3HD2 LEU 60 1.492 -9.807 -2.150 434 HD22 LEU 60 1HD2 LEU 60 -0.180 -9.944 -2.707 435 HD23 LEU 60 2HD2 LEU 60 1.108 -10.669 -3.665 436 H SER 61 H SER 61 4.747 -11.536 -3.482 437 HA SER 61 HA SER 61 6.603 -13.496 -2.282 438 HB2 SER 61 1HB SER 61 7.179 -11.915 -4.793 439 HB3 SER 61 2HB SER 61 8.125 -13.227 -4.127 440 HG SER 61 HG SER 61 5.475 -13.790 -4.910 441 H GLU 62 H GLU 62 8.607 -12.431 -1.697 442 HA GLU 62 HA GLU 62 8.032 -10.087 -0.184 443 HB2 GLU 62 1HB GLU 62 10.750 -11.338 -0.707 444 HB3 GLU 62 2HB GLU 62 10.346 -10.193 0.579 445 HG2 GLU 62 1HG GLU 62 8.527 -12.007 1.225 446 HG3 GLU 62 2HG GLU 62 9.616 -13.092 0.352 447 H GLY 63 H GLY 63 8.781 -10.147 -3.349 448 HA2 GLY 63 1HA GLY 63 9.786 -7.340 -3.429 449 HA3 GLY 63 2HA GLY 63 10.495 -8.602 -4.441 450 H ALA 64 H ALA 64 7.025 -8.734 -3.743 451 HA ALA 64 HA ALA 64 6.330 -8.581 -6.580 452 HB1 ALA 64 1HB ALA 64 4.008 -8.604 -5.687 453 HB2 ALA 64 2HB ALA 64 4.982 -9.911 -4.972 454 HB3 ALA 64 3HB ALA 64 4.615 -8.435 -4.046 455 H GLU 65 H GLU 65 5.768 -6.748 -7.690 456 HA GLU 65 HA GLU 65 6.130 -4.175 -6.332 457 HB2 GLU 65 1HB GLU 65 5.739 -3.165 -8.513 458 HB3 GLU 65 2HB GLU 65 7.113 -4.256 -8.509 459 HG2 GLU 65 1HG GLU 65 5.865 -5.898 -9.760 460 HG3 GLU 65 2HG GLU 65 4.362 -4.997 -9.536 461 H VAL 66 H VAL 66 4.566 -3.210 -5.435 462 HA VAL 66 HA VAL 66 1.759 -3.840 -6.084 463 HB VAL 66 HB VAL 66 1.237 -3.953 -3.714 464 HG11 VAL 66 1HG1 VAL 66 1.820 -5.978 -5.060 465 HG12 VAL 66 2HG1 VAL 66 3.414 -5.978 -4.291 466 HG13 VAL 66 3HG1 VAL 66 1.938 -6.170 -3.317 467 HG21 VAL 66 3HG2 VAL 66 3.035 -2.649 -2.687 468 HG22 VAL 66 1HG2 VAL 66 3.002 -4.271 -2.000 469 HG23 VAL 66 2HG2 VAL 66 4.247 -3.859 -3.189 470 H SER 67 H SER 67 0.240 -2.136 -5.212 471 HA SER 67 HA SER 67 1.540 0.526 -5.110 472 HB2 SER 67 1HB SER 67 -1.087 0.369 -6.380 473 HB3 SER 67 2HB SER 67 0.395 1.159 -6.875 474 HG SER 67 HG SER 67 -0.045 -1.638 -7.196 475 H VAL 68 H VAL 68 0.800 1.856 -3.540 476 HA VAL 68 HA VAL 68 -1.350 0.875 -1.747 477 HB VAL 68 HB VAL 68 0.333 3.311 -1.206 478 HG11 VAL 68 1HG1 VAL 68 -0.653 1.094 0.583 479 HG12 VAL 68 2HG1 VAL 68 0.175 2.568 1.105 480 HG13 VAL 68 3HG1 VAL 68 -1.421 2.693 0.328 481 HG21 VAL 68 3HG2 VAL 68 2.090 1.968 -0.072 482 HG22 VAL 68 1HG2 VAL 68 1.470 0.516 -0.899 483 HG23 VAL 68 2HG2 VAL 68 2.130 1.884 -1.825 484 H SER 69 H SER 69 -3.309 2.165 -1.641 485 HA SER 69 HA SER 69 -3.022 4.942 -2.338 486 HB2 SER 69 1HB SER 69 -4.978 5.126 -3.727 487 HB3 SER 69 2HB SER 69 -3.878 3.935 -4.421 488 HG SER 69 HG SER 69 -6.401 3.557 -3.321 489 H VAL 70 H VAL 70 -4.651 6.287 -1.340 490 HA VAL 70 HA VAL 70 -6.710 5.188 0.330 491 HB VAL 70 HB VAL 70 -4.852 4.790 1.807 492 HG11 VAL 70 1HG1 VAL 70 -3.335 6.552 2.638 493 HG12 VAL 70 2HG1 VAL 70 -3.122 6.286 0.905 494 HG13 VAL 70 3HG1 VAL 70 -4.032 7.688 1.475 495 HG21 VAL 70 3HG2 VAL 70 -6.249 7.285 2.764 496 HG22 VAL 70 1HG2 VAL 70 -6.887 5.615 2.848 497 HG23 VAL 70 2HG2 VAL 70 -5.452 6.062 3.758 498 H TRP 71 H TRP 71 -8.145 6.911 0.939 499 HA TRP 71 HA TRP 71 -7.756 9.535 -0.408 500 HB2 TRP 71 1HB TRP 71 -10.148 8.264 0.990 501 HB3 TRP 71 2HB TRP 71 -10.095 9.863 0.261 502 HD1 TRP 71 HD TRP 71 -10.283 6.182 -0.657 503 HE1 TRP 71 1HE TRP 71 -10.959 5.929 -3.115 504 HE3 TRP 71 3HE TRP 71 -9.924 11.068 -2.056 505 HZ2 TRP 71 2HZ TRP 71 -11.158 7.659 -5.466 506 HZ3 TRP 71 3HZ TRP 71 -10.358 11.752 -4.409 507 HH2 TRP 71 HH TRP 71 -10.984 10.068 -6.109 508 H THR 72 H THR 72 -6.882 11.130 0.809 509 HA THR 72 HA THR 72 -7.097 11.128 3.725 510 HB THR 72 HB THR 72 -5.321 9.583 3.488 511 HG1 THR 72 1HG THR 72 -3.922 10.593 4.647 512 HG21 THR 72 3HG2 THR 72 -4.706 9.834 1.120 513 HG22 THR 72 1HG2 THR 72 -3.283 9.937 2.158 514 HG23 THR 72 2HG2 THR 72 -3.995 11.408 1.453 515 H GLY 73 H GLY 73 -7.462 13.260 4.214 516 HA2 GLY 73 1HA GLY 73 -7.869 15.418 3.814 517 HA3 GLY 73 2HA GLY 73 -6.611 15.485 2.576 518 H GLY 74 H GLY 74 -8.203 16.792 1.331 519 HA2 GLY 74 1HA GLY 74 -10.743 15.785 0.467 520 HA3 GLY 74 2HA GLY 74 -9.863 17.177 -0.178 521 H ALA 75 H ALA 75 -7.826 14.415 -0.421 522 HA ALA 75 HA ALA 75 -8.755 13.811 -3.130 523 HB1 ALA 75 1HB ALA 75 -5.947 14.856 -2.528 524 HB2 ALA 75 2HB ALA 75 -6.544 14.331 -4.101 525 HB3 ALA 75 3HB ALA 75 -7.220 15.777 -3.342 526 H LEU 76 H LEU 76 -7.137 12.209 -4.112 527 HA LEU 76 HA LEU 76 -6.942 9.884 -2.353 528 HB2 LEU 76 1HB LEU 76 -7.741 9.967 -4.777 529 HB3 LEU 76 2HB LEU 76 -6.094 10.385 -5.230 530 HG LEU 76 HG LEU 76 -5.316 8.159 -4.480 531 HD11 LEU 76 1HD1 LEU 76 -7.086 7.696 -2.726 532 HD12 LEU 76 2HD1 LEU 76 -6.827 6.385 -3.904 533 HD13 LEU 76 3HD1 LEU 76 -8.226 7.440 -4.059 534 HD21 LEU 76 3HD2 LEU 76 -7.756 8.140 -6.321 535 HD22 LEU 76 1HD2 LEU 76 -6.498 6.901 -6.292 536 HD23 LEU 76 2HD2 LEU 76 -6.114 8.571 -6.803 537 H CYS 77 H CYS 77 -4.651 8.778 -2.230 538 HA CYS 77 HA CYS 77 -2.484 10.343 -3.357 539 HB2 CYS 77 1HB CYS 77 -2.785 9.685 -0.429 540 HB3 CYS 77 2HB CYS 77 -1.297 9.142 -1.182 541 HG CYS 77 HG CYS 77 -2.562 12.081 -1.885 542 H ARG 78 H ARG 78 -0.813 8.809 -4.036 543 HA ARG 78 HA ARG 78 -1.404 5.954 -3.698 544 HB2 ARG 78 1HB ARG 78 -2.031 7.123 -6.081 545 HB3 ARG 78 2HB ARG 78 -0.341 6.756 -6.384 546 HG2 ARG 78 1HG ARG 78 -2.300 4.643 -5.504 547 HG3 ARG 78 2HG ARG 78 -2.231 5.174 -7.163 548 HD2 ARG 78 1HD ARG 78 0.452 4.523 -6.287 549 HD3 ARG 78 2HD ARG 78 -0.623 3.184 -5.903 550 HE ARG 78 HE ARG 78 0.417 3.893 -8.427 551 HH11 ARG 78 1HH1 ARG 78 -2.705 2.612 -7.107 552 HH12 ARG 78 2HH1 ARG 78 -3.164 1.986 -8.626 553 HH21 ARG 78 1HH2 ARG 78 -0.277 3.036 -10.385 554 HH22 ARG 78 2HH2 ARG 78 -1.751 2.132 -10.507 555 H CYS 79 H CYS 79 0.608 4.717 -3.863 556 HA CYS 79 HA CYS 79 2.809 6.163 -4.961 557 HB2 CYS 79 1HB CYS 79 2.986 6.541 -2.431 558 HB3 CYS 79 2HB CYS 79 3.151 4.797 -2.206 559 HG CYS 79 HG CYS 79 5.383 4.575 -3.594 560 H ASP 80 H ASP 80 4.453 4.549 -5.637 561 HA ASP 80 HA ASP 80 3.329 1.792 -5.976 562 HB2 ASP 80 1HB ASP 80 5.579 3.238 -7.437 563 HB3 ASP 80 2HB ASP 80 5.006 1.616 -7.780 564 H GLY 81 H GLY 81 4.783 0.063 -5.252 565 HA2 GLY 81 1HA GLY 81 7.319 0.558 -3.897 566 HA3 GLY 81 2HA GLY 81 5.910 0.371 -2.842 567 H ARG 82 H ARG 82 7.483 -1.555 -2.266 568 HA ARG 82 HA ARG 82 6.699 -3.899 -3.873 569 HB2 ARG 82 1HB ARG 82 9.545 -3.637 -2.957 570 HB3 ARG 82 2HB ARG 82 8.763 -4.989 -3.786 571 HG2 ARG 82 1HG ARG 82 8.026 -3.137 -5.538 572 HG3 ARG 82 2HG ARG 82 9.375 -2.222 -4.868 573 HD2 ARG 82 1HD ARG 82 9.394 -4.972 -6.162 574 HD3 ARG 82 2HD ARG 82 9.843 -3.455 -6.897 575 HE ARG 82 HE ARG 82 11.473 -5.224 -5.479 576 HH11 ARG 82 1HH1 ARG 82 11.274 -1.649 -5.867 577 HH12 ARG 82 2HH1 ARG 82 12.803 -1.433 -5.038 578 HH21 ARG 82 1HH2 ARG 82 13.409 -4.801 -4.373 579 HH22 ARG 82 2HH2 ARG 82 14.045 -3.212 -4.264 580 H VAL 83 H VAL 83 6.978 -5.934 -2.458 581 HA VAL 83 HA VAL 83 5.639 -5.600 -0.002 582 HB VAL 83 HB VAL 83 6.951 -7.899 -1.391 583 HG11 VAL 83 1HG1 VAL 83 7.087 -8.514 0.989 584 HG12 VAL 83 2HG1 VAL 83 5.379 -8.094 1.209 585 HG13 VAL 83 3HG1 VAL 83 5.848 -9.460 0.159 586 HG21 VAL 83 3HG2 VAL 83 4.858 -6.916 -2.314 587 HG22 VAL 83 1HG2 VAL 83 4.582 -8.554 -1.700 588 HG23 VAL 83 2HG2 VAL 83 4.067 -7.156 -0.748 589 H GLU 84 H GLU 84 9.070 -6.070 -0.556 590 HA GLU 84 HA GLU 84 10.953 -5.863 0.686 591 HB2 GLU 84 1HB GLU 84 9.789 -3.876 1.649 592 HB3 GLU 84 2HB GLU 84 9.346 -4.808 3.048 593 HG2 GLU 84 1HG GLU 84 12.241 -4.571 2.144 594 HG3 GLU 84 2HG GLU 84 11.473 -3.298 3.067 595 H THR 85 H THR 85 8.324 -7.098 2.841 596 HA THR 85 HA THR 85 9.734 -9.667 3.055 597 HB THR 85 HB THR 85 9.230 -7.806 5.400 598 HG1 THR 85 1HG THR 85 11.282 -8.215 3.914 599 HG21 THR 85 3HG2 THR 85 10.033 -10.740 5.539 600 HG22 THR 85 1HG2 THR 85 8.513 -10.050 6.139 601 HG23 THR 85 2HG2 THR 85 10.044 -9.600 6.900 602 H LEU 86 H LEU 86 8.315 -11.323 3.443 603 HA LEU 86 HA LEU 86 5.435 -10.646 3.764 604 HB2 LEU 86 1HB LEU 86 6.260 -11.571 1.437 605 HB3 LEU 86 2HB LEU 86 6.435 -13.092 2.288 606 HG LEU 86 HG LEU 86 3.878 -12.339 3.069 607 HD11 LEU 86 1HD1 LEU 86 4.237 -11.391 0.194 608 HD12 LEU 86 2HD1 LEU 86 4.066 -10.311 1.571 609 HD13 LEU 86 3HD1 LEU 86 2.729 -11.386 1.162 610 HD21 LEU 86 3HD2 LEU 86 3.017 -13.861 1.328 611 HD22 LEU 86 1HD2 LEU 86 4.423 -14.529 2.187 612 HD23 LEU 86 2HD2 LEU 86 4.615 -13.855 0.536 613 H ARG 87 H ARG 87 4.314 -12.214 5.065 614 HA ARG 87 HA ARG 87 6.136 -13.846 6.777 615 HB2 ARG 87 1HB ARG 87 5.747 -11.478 7.583 616 HB3 ARG 87 2HB ARG 87 4.057 -11.908 7.865 617 HG2 ARG 87 1HG ARG 87 4.961 -13.794 9.356 618 HG3 ARG 87 2HG ARG 87 6.550 -13.039 9.176 619 HD2 ARG 87 1HD ARG 87 5.659 -10.910 10.113 620 HD3 ARG 87 2HD ARG 87 4.044 -11.640 10.203 621 HE ARG 87 HE ARG 87 6.298 -12.930 11.618 622 HH11 ARG 87 1HH1 ARG 87 3.662 -10.645 11.965 623 HH12 ARG 87 2HH1 ARG 87 3.103 -11.236 13.490 624 HH21 ARG 87 1HH2 ARG 87 5.512 -13.839 13.612 625 HH22 ARG 87 2HH2 ARG 87 4.261 -13.048 14.530 626 H ASP 88 H ASP 88 2.724 -13.060 6.128 627 HA ASP 88 HA ASP 88 2.244 -15.913 5.847 628 HB2 ASP 88 1HB ASP 88 0.532 -14.143 7.583 629 HB3 ASP 88 2HB ASP 88 -0.231 -15.344 6.578 630 H ASP 89 H ASP 89 0.000 -15.936 4.617 631 HA ASP 89 HA ASP 89 0.162 -14.468 2.143 632 HB2 ASP 89 1HB ASP 89 -1.993 -15.502 1.725 633 HB3 ASP 89 2HB ASP 89 -0.880 -16.722 2.345 634 H ARG 90 H ARG 90 -1.391 -14.017 5.272 635 HA ARG 90 HA ARG 90 -2.873 -11.648 4.214 636 HB2 ARG 90 1HB ARG 90 -4.087 -11.746 6.447 637 HB3 ARG 90 2HB ARG 90 -4.406 -12.988 5.252 638 HG2 ARG 90 1HG ARG 90 -3.270 -14.660 6.396 639 HG3 ARG 90 2HG ARG 90 -2.493 -13.502 7.522 640 HD2 ARG 90 1HD ARG 90 -4.532 -13.119 8.697 641 HD3 ARG 90 2HD ARG 90 -5.507 -13.663 7.343 642 HE ARG 90 HE ARG 90 -5.450 -15.753 8.044 643 HH11 ARG 90 1HH1 ARG 90 -2.987 -14.136 10.045 644 HH12 ARG 90 2HH1 ARG 90 -2.323 -15.644 10.628 645 HH21 ARG 90 1HH2 ARG 90 -4.974 -17.527 9.352 646 HH22 ARG 90 2HH2 ARG 90 -3.649 -17.499 10.449 647 H GLN 91 H GLN 91 0.103 -12.100 5.916 648 HA GLN 91 HA GLN 91 -0.105 -9.339 6.949 649 HB2 GLN 91 1HB GLN 91 1.125 -11.684 8.394 650 HB3 GLN 91 2HB GLN 91 1.225 -10.000 8.866 651 HG2 GLN 91 1HG GLN 91 -1.314 -9.973 8.957 652 HG3 GLN 91 2HG GLN 91 -1.283 -11.718 8.782 653 HE21 GLN 91 1HE2 GLN 91 0.409 -9.223 10.848 654 HE22 GLN 91 2HE2 GLN 91 0.069 -10.078 12.350 655 H PHE 92 H PHE 92 1.426 -8.207 6.164 656 HA PHE 92 HA PHE 92 4.131 -9.173 5.678 657 HB2 PHE 92 1HB PHE 92 4.015 -8.712 3.200 658 HB3 PHE 92 2HB PHE 92 3.239 -10.177 3.767 659 HD1 PHE 92 2HD PHE 92 2.561 -6.727 2.562 660 HD2 PHE 92 1HD PHE 92 0.918 -10.639 3.345 661 HE1 PHE 92 2HE PHE 92 0.502 -6.052 1.478 662 HE2 PHE 92 1HE PHE 92 -1.202 -9.955 2.272 663 HZ PHE 92 HZ PHE 92 -1.449 -7.657 1.351 664 H ALA 93 H ALA 93 5.448 -7.458 4.541 665 HA ALA 93 HA ALA 93 4.790 -4.870 5.754 666 HB1 ALA 93 1HB ALA 93 7.014 -6.019 6.209 667 HB2 ALA 93 2HB ALA 93 7.418 -5.776 4.509 668 HB3 ALA 93 3HB ALA 93 7.140 -4.376 5.575 669 H ILE 94 H ILE 94 5.793 -3.009 4.318 670 HA ILE 94 HA ILE 94 6.017 -3.504 1.478 671 HB ILE 94 HB ILE 94 4.570 -1.283 1.155 672 HG12 ILE 94 1HG1 ILE 94 2.996 -2.499 3.431 673 HG13 ILE 94 2HG1 ILE 94 3.998 -1.054 3.539 674 HG21 ILE 94 1HG2 ILE 94 2.784 -2.577 0.221 675 HG22 ILE 94 2HG2 ILE 94 4.256 -3.548 0.057 676 HG23 ILE 94 3HG2 ILE 94 3.089 -3.926 1.327 677 HD11 ILE 94 3HD1 ILE 94 2.613 0.066 1.818 678 HD12 ILE 94 1HD1 ILE 94 1.565 -1.368 1.739 679 HD13 ILE 94 2HD1 ILE 94 1.660 -0.426 3.234 680 H ARG 95 H ARG 95 7.610 -2.214 0.687 681 HA ARG 95 HA ARG 95 8.582 0.120 2.313 682 HB2 ARG 95 1HB ARG 95 10.075 -1.839 2.125 683 HB3 ARG 95 2HB ARG 95 10.149 -1.630 0.384 684 HG2 ARG 95 1HG ARG 95 11.345 0.033 2.624 685 HG3 ARG 95 2HG ARG 95 12.153 -0.879 1.339 686 HD2 ARG 95 1HD ARG 95 11.187 0.812 -0.304 687 HD3 ARG 95 2HD ARG 95 10.806 1.788 1.140 688 HE ARG 95 HE ARG 95 13.512 0.905 1.248 689 HH11 ARG 95 1HH1 ARG 95 11.512 3.225 -0.491 690 HH12 ARG 95 2HH1 ARG 95 12.838 4.116 -1.177 691 HH21 ARG 95 1HH2 ARG 95 15.343 2.304 0.578 692 HH22 ARG 95 2HH2 ARG 95 15.035 3.616 -0.459 693 H LEU 96 H LEU 96 7.971 1.940 1.545 694 HA LEU 96 HA LEU 96 6.764 2.261 -1.083 695 HB2 LEU 96 1HB LEU 96 7.593 4.420 0.896 696 HB3 LEU 96 2HB LEU 96 6.369 4.533 -0.368 697 HG LEU 96 HG LEU 96 6.211 2.899 2.205 698 HD11 LEU 96 1HD1 LEU 96 4.353 4.554 2.694 699 HD12 LEU 96 2HD1 LEU 96 4.894 5.478 1.275 700 HD13 LEU 96 3HD1 LEU 96 5.988 5.210 2.658 701 HD21 LEU 96 3HD2 LEU 96 4.953 1.792 0.359 702 HD22 LEU 96 1HD2 LEU 96 4.041 3.296 0.118 703 HD23 LEU 96 2HD2 LEU 96 3.908 2.389 1.652 704 H VAL 97 H VAL 97 7.743 3.468 -2.835 705 HA VAL 97 HA VAL 97 10.575 4.249 -2.403 706 HB VAL 97 HB VAL 97 11.114 3.387 -4.612 707 HG11 VAL 97 1HG1 VAL 97 11.235 1.005 -3.977 708 HG12 VAL 97 2HG1 VAL 97 11.653 2.072 -2.642 709 HG13 VAL 97 3HG1 VAL 97 10.064 1.295 -2.668 710 HG21 VAL 97 3HG2 VAL 97 8.970 3.313 -5.736 711 HG22 VAL 97 1HG2 VAL 97 9.674 1.679 -5.694 712 HG23 VAL 97 2HG2 VAL 97 8.375 2.126 -4.587 713 H GLY 98 H GLY 98 11.370 5.835 -3.681 714 HA2 GLY 98 1HA GLY 98 11.428 7.887 -4.376 715 HA3 GLY 98 2HA GLY 98 9.974 7.647 -5.351 716 H ARG 99 H ARG 99 8.057 8.307 -4.519 717 HA ARG 99 HA ARG 99 7.699 9.359 -1.809 718 HB2 ARG 99 1HB ARG 99 7.683 11.644 -2.332 719 HB3 ARG 99 2HB ARG 99 9.213 11.013 -2.893 720 HG2 ARG 99 1HG ARG 99 6.830 11.942 -4.498 721 HG3 ARG 99 2HG ARG 99 8.453 12.630 -4.408 722 HD2 ARG 99 1HD ARG 99 9.144 10.271 -5.408 723 HD3 ARG 99 2HD ARG 99 7.463 10.260 -5.947 724 HE ARG 99 HE ARG 99 9.708 12.006 -6.757 725 HH11 ARG 99 1HH1 ARG 99 6.195 11.399 -7.169 726 HH12 ARG 99 2HH1 ARG 99 6.098 12.391 -8.576 727 HH21 ARG 99 1HH2 ARG 99 9.559 13.065 -8.773 728 HH22 ARG 99 2HH2 ARG 99 8.037 13.068 -9.634 729 H VAL 100 H VAL 100 5.549 10.613 -1.687 730 HA VAL 100 HA VAL 100 3.510 9.199 -3.330 731 HB VAL 100 HB VAL 100 3.393 10.891 -0.804 732 HG11 VAL 100 1HG1 VAL 100 0.997 9.963 -0.629 733 HG12 VAL 100 2HG1 VAL 100 1.258 11.240 -1.814 734 HG13 VAL 100 3HG1 VAL 100 1.131 9.545 -2.337 735 HG21 VAL 100 3HG2 VAL 100 4.296 8.432 -0.728 736 HG22 VAL 100 1HG2 VAL 100 3.041 8.946 0.421 737 HG23 VAL 100 2HG2 VAL 100 2.601 7.984 -0.989 738 H ARG 101 H ARG 101 1.872 10.353 -4.426 739 HA ARG 101 HA ARG 101 1.571 13.184 -3.893 740 HB2 ARG 101 1HB ARG 101 1.026 13.711 -6.301 741 HB3 ARG 101 2HB ARG 101 2.722 13.543 -5.951 742 HG2 ARG 101 1HG ARG 101 2.969 11.609 -7.174 743 HG3 ARG 101 2HG ARG 101 1.318 11.054 -6.916 744 HD2 ARG 101 1HD ARG 101 1.886 11.663 -9.266 745 HD3 ARG 101 2HD ARG 101 0.458 12.444 -8.646 746 HE ARG 101 HE ARG 101 3.159 13.743 -8.816 747 HH11 ARG 101 1HH1 ARG 101 -0.299 14.228 -8.432 748 HH12 ARG 101 2HH1 ARG 101 -0.319 15.828 -9.031 749 HH21 ARG 101 1HH2 ARG 101 3.184 15.910 -9.659 750 HH22 ARG 101 2HH2 ARG 101 1.715 16.765 -9.870 751 H GLU 102 H GLU 102 -0.669 13.890 -4.309 752 HA GLU 102 HA GLU 102 -2.720 11.876 -4.724 753 HB2 GLU 102 1HB GLU 102 -4.170 13.773 -5.295 754 HB3 GLU 102 2HB GLU 102 -3.452 13.915 -3.707 755 HG2 GLU 102 1HG GLU 102 -2.310 15.773 -4.170 756 HG3 GLU 102 2HG GLU 102 -1.914 15.289 -5.807 757 H LEU 103 H LEU 103 -3.562 11.214 -6.614 758 HA LEU 103 HA LEU 103 -2.511 12.354 -9.175 759 HB2 LEU 103 1HB LEU 103 -3.171 9.495 -8.440 760 HB3 LEU 103 2HB LEU 103 -2.840 10.044 -10.059 761 HG LEU 103 HG LEU 103 -0.719 10.802 -8.150 762 HD11 LEU 103 1HD1 LEU 103 0.410 8.572 -8.151 763 HD12 LEU 103 2HD1 LEU 103 -1.148 7.870 -8.670 764 HD13 LEU 103 3HD1 LEU 103 -0.988 8.764 -7.128 765 HD21 LEU 103 3HD2 LEU 103 -0.782 9.497 -10.889 766 HD22 LEU 103 1HD2 LEU 103 0.702 9.976 -10.056 767 HD23 LEU 103 2HD2 LEU 103 -0.490 11.206 -10.542 768 H GLN 104 H GLN 104 -5.201 12.054 -7.175 769 HA GLN 104 HA GLN 104 -7.067 12.745 -9.241 770 HB2 GLN 104 1HB GLN 104 -7.573 10.329 -7.448 771 HB3 GLN 104 2HB GLN 104 -8.667 11.040 -8.608 772 HG2 GLN 104 1HG GLN 104 -7.261 10.299 -10.482 773 HG3 GLN 104 2HG GLN 104 -6.164 9.512 -9.326 774 HE21 GLN 104 1HE2 GLN 104 -6.856 7.604 -10.834 775 HE22 GLN 104 2HE2 GLN 104 -8.278 6.719 -10.348 776 H ARG 105 H ARG 105 -8.972 13.818 -8.131 777 HA ARG 105 HA ARG 105 -8.786 13.871 -5.177 778 HB2 ARG 105 1HB ARG 105 -9.647 16.441 -6.467 779 HB3 ARG 105 2HB ARG 105 -9.023 16.118 -4.866 780 HG2 ARG 105 1HG ARG 105 -7.221 17.221 -5.653 781 HG3 ARG 105 2HG ARG 105 -6.753 15.624 -6.250 782 HD2 ARG 105 1HD ARG 105 -7.973 16.228 -8.424 783 HD3 ARG 105 2HD ARG 105 -8.186 17.862 -7.754 784 HE ARG 105 HE ARG 105 -5.457 17.101 -7.587 785 HH11 ARG 105 1HH1 ARG 105 -7.872 18.206 -10.058 786 HH12 ARG 105 2HH1 ARG 105 -6.626 18.559 -11.207 787 HH21 ARG 105 1HH2 ARG 105 -3.916 17.715 -9.211 788 HH22 ARG 105 2HH2 ARG 105 -4.485 18.346 -10.746 789 H ARG 106 H ARG 106 -10.862 14.575 -4.123 790 HA ARG 106 HA ARG 106 -13.206 13.950 -5.872 791 HB2 ARG 106 1HB ARG 106 -14.418 13.260 -3.897 792 HB3 ARG 106 2HB ARG 106 -13.007 12.249 -4.162 793 HG2 ARG 106 1HG ARG 106 -11.903 13.026 -2.290 794 HG3 ARG 106 2HG ARG 106 -12.728 14.597 -2.274 795 HD2 ARG 106 1HD ARG 106 -14.742 13.687 -1.399 796 HD3 ARG 106 2HD ARG 106 -14.199 12.018 -1.661 797 HE ARG 106 HE ARG 106 -12.269 13.118 -0.048 798 HH11 ARG 106 1HH1 ARG 106 -15.805 12.545 0.334 799 HH12 ARG 106 2HH1 ARG 106 -15.674 12.300 2.022 800 HH21 ARG 106 1HH2 ARG 106 -12.159 12.645 2.226 801 HH22 ARG 106 2HH2 ARG 106 -13.598 12.336 3.092 802 H GLU 107 H GLU 107 -11.617 16.558 -4.608 803 HA GLU 107 HA GLU 107 -13.886 17.984 -3.543 804 HB2 GLU 107 1HB GLU 107 -12.303 19.842 -3.276 805 HB3 GLU 107 2HB GLU 107 -11.835 18.322 -2.526 806 HG2 GLU 107 1HG GLU 107 -10.296 17.920 -4.518 807 HG3 GLU 107 2HG GLU 107 -10.627 19.577 -5.013 808 H TYR 108 H TYR 108 -14.823 17.150 -5.796 809 HA TYR 108 HA TYR 108 -15.139 19.526 -7.534 810 HB2 TYR 108 1HB TYR 108 -14.825 16.622 -8.369 811 HB3 TYR 108 2HB TYR 108 -15.486 17.852 -9.426 812 HD1 TYR 108 2HD TYR 108 -14.153 19.661 -10.363 813 HD2 TYR 108 1HD TYR 108 -12.379 16.541 -7.965 814 HE1 TYR 108 2HE TYR 108 -11.931 20.269 -11.246 815 HE2 TYR 108 1HE TYR 108 -10.155 17.124 -8.859 816 HH TYR 108 HH TYR 108 -9.627 19.695 -11.289 817 H PHE 109 H PHE 109 -16.638 18.245 -5.165 818 HA PHE 109 HA PHE 109 -18.646 17.691 -4.434 819 HB2 PHE 109 1HB PHE 109 -18.990 19.904 -6.075 820 HB3 PHE 109 2HB PHE 109 -20.274 18.856 -6.589 821 HD1 PHE 109 2HD PHE 109 -18.674 20.099 -3.393 822 HD2 PHE 109 1HD PHE 109 -22.322 19.095 -5.435 823 HE1 PHE 109 2HE PHE 109 -19.983 20.906 -1.446 824 HE2 PHE 109 1HE PHE 109 -23.630 19.906 -3.494 825 HZ PHE 109 HZ PHE 109 -22.468 20.797 -1.485 Start of MODEL 4 1 H1 GLY 1 H GLY 1 12.803 -3.197 11.344 2 HA2 GLY 1 1HA GLY 1 14.005 -1.056 11.802 3 HA3 GLY 1 2HA GLY 1 15.486 -1.943 11.367 4 H MET 2 H MET 2 15.725 -2.671 9.098 5 HA MET 2 HA MET 2 15.520 -2.544 6.874 6 HB2 MET 2 1HB MET 2 12.549 -2.120 7.355 7 HB3 MET 2 2HB MET 2 13.287 -2.531 5.822 8 HG2 MET 2 1HG MET 2 14.080 -4.403 7.966 9 HG3 MET 2 2HG MET 2 12.347 -4.296 7.770 10 HE1 MET 2 3HE MET 2 15.072 -5.529 4.202 11 HE2 MET 2 1HE MET 2 14.802 -3.837 4.635 12 HE3 MET 2 2HE MET 2 15.735 -4.899 5.722 13 H SER 3 H SER 3 16.277 -0.257 8.331 14 HA SER 3 HA SER 3 16.745 1.918 8.212 15 HB2 SER 3 1HB SER 3 15.510 2.030 5.444 16 HB3 SER 3 2HB SER 3 16.625 3.178 6.181 17 HG SER 3 HG SER 3 18.019 1.131 6.407 18 H ALA 4 H ALA 4 15.796 3.393 9.463 19 HA ALA 4 HA ALA 4 12.859 3.430 9.686 20 HB1 ALA 4 1HB ALA 4 14.999 4.870 11.319 21 HB2 ALA 4 2HB ALA 4 13.271 4.776 11.700 22 HB3 ALA 4 3HB ALA 4 14.256 3.310 11.745 23 H ASP 5 H ASP 5 12.017 5.675 10.116 24 HA ASP 5 HA ASP 5 11.133 7.500 9.248 25 HB2 ASP 5 1HB ASP 5 13.978 8.243 8.494 26 HB3 ASP 5 2HB ASP 5 12.585 9.311 8.353 27 H GLY 6 H GLY 6 10.886 8.833 7.056 28 HA2 GLY 6 1HA GLY 6 10.781 6.835 4.822 29 HA3 GLY 6 2HA GLY 6 9.315 7.651 5.400 30 H SER 7 H SER 7 9.146 9.851 5.190 31 HA SER 7 HA SER 7 10.971 11.754 4.945 32 HB2 SER 7 1HB SER 7 10.224 10.877 2.133 33 HB3 SER 7 2HB SER 7 10.465 12.592 2.491 34 HG SER 7 HG SER 7 12.424 11.997 1.956 35 H GLU 8 H GLU 8 8.124 11.239 2.843 36 HA GLU 8 HA GLU 8 6.387 12.979 4.567 37 HB2 GLU 8 1HB GLU 8 6.808 12.839 1.575 38 HB3 GLU 8 2HB GLU 8 5.472 13.691 2.338 39 HG2 GLU 8 1HG GLU 8 6.854 15.379 3.208 40 HG3 GLU 8 2HG GLU 8 8.327 14.404 3.061 41 H TYR 9 H TYR 9 6.893 9.802 3.517 42 HA TYR 9 HA TYR 9 4.449 9.086 2.309 43 HB2 TYR 9 1HB TYR 9 6.095 7.449 4.274 44 HB3 TYR 9 2HB TYR 9 4.877 6.842 3.181 45 HD1 TYR 9 1HD TYR 9 5.534 8.006 0.577 46 HD2 TYR 9 2HD TYR 9 8.100 6.450 3.658 47 HE1 TYR 9 1HE TYR 9 7.292 7.620 -1.113 48 HE2 TYR 9 2HE TYR 9 9.841 5.980 1.981 49 HH TYR 9 HH TYR 9 10.471 6.113 -0.324 50 H GLY 10 H GLY 10 5.313 9.414 5.723 51 HA2 GLY 10 1HA GLY 10 2.964 8.280 6.811 52 HA3 GLY 10 2HA GLY 10 4.138 9.287 7.661 53 H ARG 11 H ARG 11 3.266 11.181 5.123 54 HA ARG 11 HA ARG 11 1.291 12.732 6.666 55 HB2 ARG 11 1HB ARG 11 2.541 13.134 3.893 56 HB3 ARG 11 2HB ARG 11 1.519 14.252 4.689 57 HG2 ARG 11 1HG ARG 11 3.152 14.517 6.571 58 HG3 ARG 11 2HG ARG 11 4.272 13.444 5.680 59 HD2 ARG 11 1HD ARG 11 4.200 14.950 3.738 60 HD3 ARG 11 2HD ARG 11 2.994 15.952 4.559 61 HE ARG 11 HE ARG 11 5.340 15.829 6.164 62 HH11 ARG 11 1HH1 ARG 11 4.060 17.193 3.154 63 HH12 ARG 11 2HH1 ARG 11 4.892 18.708 3.307 64 HH21 ARG 11 1HH2 ARG 11 6.230 17.951 6.487 65 HH22 ARG 11 2HH2 ARG 11 6.357 19.050 5.182 66 H TYR 12 H TYR 12 1.310 10.187 4.318 67 HA TYR 12 HA TYR 12 -1.477 10.834 3.399 68 HB2 TYR 12 1HB TYR 12 0.680 9.084 2.135 69 HB3 TYR 12 2HB TYR 12 -0.871 9.497 1.436 70 HD1 TYR 12 1HD TYR 12 2.469 10.842 2.337 71 HD2 TYR 12 2HD TYR 12 -1.209 11.592 0.266 72 HE1 TYR 12 1HE TYR 12 3.492 12.820 1.323 73 HE2 TYR 12 2HE TYR 12 -0.203 13.535 -0.891 74 HH TYR 12 HH TYR 12 1.592 15.015 -0.801 75 H PHE 13 H PHE 13 0.758 8.406 4.690 76 HA PHE 13 HA PHE 13 -1.569 6.659 5.289 77 HB2 PHE 13 1HB PHE 13 1.283 5.694 4.894 78 HB3 PHE 13 2HB PHE 13 -0.178 4.717 4.886 79 HD1 PHE 13 1HD PHE 13 -1.851 5.227 2.854 80 HD2 PHE 13 2HD PHE 13 2.330 6.235 2.893 81 HE1 PHE 13 1HE PHE 13 -1.827 5.259 0.380 82 HE2 PHE 13 2HE PHE 13 2.347 6.309 0.446 83 HZ PHE 13 HZ PHE 13 0.258 5.822 -0.839 84 H GLU 14 H GLU 14 -1.783 5.589 7.062 85 HA GLU 14 HA GLU 14 -0.040 6.364 9.339 86 HB2 GLU 14 1HB GLU 14 -2.931 6.041 9.853 87 HB3 GLU 14 2HB GLU 14 -1.745 7.245 10.389 88 HG2 GLU 14 1HG GLU 14 -2.141 8.755 8.680 89 HG3 GLU 14 2HG GLU 14 -3.122 7.560 7.745 90 H GLN 15 H GLN 15 -0.223 5.003 11.086 91 HA GLN 15 HA GLN 15 -0.003 2.326 10.318 92 HB2 GLN 15 1HB GLN 15 -0.056 1.910 12.772 93 HB3 GLN 15 2HB GLN 15 1.184 3.042 12.081 94 HG2 GLN 15 1HG GLN 15 -1.355 4.115 13.240 95 HG3 GLN 15 2HG GLN 15 -0.150 3.551 14.371 96 HE21 GLN 15 1HE2 GLN 15 -1.191 6.327 12.847 97 HE22 GLN 15 2HE2 GLN 15 0.316 7.169 12.567 98 H LEU 16 H LEU 16 -2.929 3.887 10.965 99 HA LEU 16 HA LEU 16 -4.233 1.264 11.428 100 HB2 LEU 16 1HB LEU 16 -4.785 3.771 13.002 101 HB3 LEU 16 2HB LEU 16 -5.967 2.472 12.812 102 HG LEU 16 HG LEU 16 -3.942 0.902 13.515 103 HD11 LEU 16 1HD1 LEU 16 -3.022 3.528 14.498 104 HD12 LEU 16 2HD1 LEU 16 -2.194 2.109 13.706 105 HD13 LEU 16 3HD1 LEU 16 -2.679 2.029 15.394 106 HD21 LEU 16 3HD2 LEU 16 -6.057 1.131 14.745 107 HD22 LEU 16 1HD2 LEU 16 -5.443 2.650 15.473 108 HD23 LEU 16 2HD2 LEU 16 -4.658 1.094 15.845 109 H GLN 17 H GLN 17 -3.634 3.286 9.236 110 HA GLN 17 HA GLN 17 -6.310 4.069 8.275 111 HB2 GLN 17 1HB GLN 17 -3.836 5.165 7.821 112 HB3 GLN 17 2HB GLN 17 -3.988 4.149 6.381 113 HG2 GLN 17 1HG GLN 17 -6.221 5.225 5.950 114 HG3 GLN 17 2HG GLN 17 -5.965 6.171 7.439 115 HE21 GLN 17 1HE2 GLN 17 -3.784 5.454 4.577 116 HE22 GLN 17 2HE2 GLN 17 -3.466 7.180 4.320 117 H LYS 18 H LYS 18 -6.878 3.363 5.981 118 HA LYS 18 HA LYS 18 -6.150 0.519 5.485 119 HB2 LYS 18 1HB LYS 18 -8.806 1.944 5.172 120 HB3 LYS 18 2HB LYS 18 -8.361 0.683 4.021 121 HG2 LYS 18 1HG LYS 18 -9.578 -0.445 5.610 122 HG3 LYS 18 2HG LYS 18 -7.911 -0.847 5.944 123 HD2 LYS 18 1HD LYS 18 -8.532 -0.458 8.076 124 HD3 LYS 18 2HD LYS 18 -8.162 1.218 7.716 125 HE2 LYS 18 1HE LYS 18 -10.479 1.747 7.329 126 HE3 LYS 18 2HE LYS 18 -10.877 0.046 7.122 127 HZ1 LYS 18 3HZ LYS 18 -10.122 1.400 9.672 128 HZ2 LYS 18 1HZ LYS 18 -10.228 -0.201 9.563 129 HZ3 LYS 18 2HZ LYS 18 -11.575 0.721 9.341 130 H VAL 19 H VAL 19 -5.631 -0.061 3.345 131 HA VAL 19 HA VAL 19 -5.496 2.111 1.337 132 HB VAL 19 HB VAL 19 -3.156 1.500 0.771 133 HG11 VAL 19 1HG1 VAL 19 -3.554 3.485 2.158 134 HG12 VAL 19 2HG1 VAL 19 -3.424 2.516 3.623 135 HG13 VAL 19 3HG1 VAL 19 -2.026 2.714 2.561 136 HG21 VAL 19 3HG2 VAL 19 -1.725 0.293 2.376 137 HG22 VAL 19 1HG2 VAL 19 -3.139 0.014 3.435 138 HG23 VAL 19 2HG2 VAL 19 -3.049 -0.754 1.826 139 H ASN 20 H ASN 20 -4.997 1.299 -0.803 140 HA ASN 20 HA ASN 20 -6.080 -1.281 -1.527 141 HB2 ASN 20 1HB ASN 20 -5.987 0.968 -2.950 142 HB3 ASN 20 2HB ASN 20 -4.306 0.524 -3.236 143 HD21 ASN 20 1HD2 ASN 20 -7.376 -1.394 -3.071 144 HD22 ASN 20 2HD2 ASN 20 -7.149 -2.117 -4.644 145 H LEU 21 H LEU 21 -4.733 -2.814 -2.995 146 HA LEU 21 HA LEU 21 -2.017 -3.192 -1.815 147 HB2 LEU 21 1HB LEU 21 -4.272 -5.219 -2.042 148 HB3 LEU 21 2HB LEU 21 -2.661 -5.557 -1.410 149 HG LEU 21 HG LEU 21 -4.782 -3.845 -0.102 150 HD11 LEU 21 1HD1 LEU 21 -3.614 -6.616 0.461 151 HD12 LEU 21 2HD1 LEU 21 -5.228 -6.278 -0.192 152 HD13 LEU 21 3HD1 LEU 21 -4.814 -5.786 1.441 153 HD21 LEU 21 3HD2 LEU 21 -3.320 -3.679 1.772 154 HD22 LEU 21 1HD2 LEU 21 -2.393 -3.099 0.401 155 HD23 LEU 21 2HD2 LEU 21 -2.085 -4.733 1.023 156 H THR 22 H THR 22 -2.856 -2.472 -4.635 157 HA THR 22 HA THR 22 -3.437 -4.663 -6.208 158 HB THR 22 HB THR 22 -1.684 -2.878 -7.699 159 HG1 THR 22 1HG THR 22 -3.750 -1.578 -6.233 160 HG21 THR 22 3HG2 THR 22 -3.502 -4.204 -8.644 161 HG22 THR 22 1HG2 THR 22 -3.658 -2.474 -9.004 162 HG23 THR 22 2HG2 THR 22 -4.683 -3.219 -7.746 163 H VAL 23 H VAL 23 -2.337 -6.547 -6.732 164 HA VAL 23 HA VAL 23 0.650 -6.452 -6.594 165 HB VAL 23 HB VAL 23 -0.961 -8.977 -6.084 166 HG11 VAL 23 1HG1 VAL 23 1.278 -9.389 -6.937 167 HG12 VAL 23 2HG1 VAL 23 1.971 -8.181 -5.819 168 HG13 VAL 23 3HG1 VAL 23 1.323 -9.700 -5.198 169 HG21 VAL 23 3HG2 VAL 23 -0.134 -8.768 -3.695 170 HG22 VAL 23 1HG2 VAL 23 0.230 -7.074 -4.059 171 HG23 VAL 23 2HG2 VAL 23 -1.443 -7.687 -4.179 172 H ARG 24 H ARG 24 1.449 -6.524 -8.634 173 HA ARG 24 HA ARG 24 -0.126 -7.460 -10.822 174 HB2 ARG 24 1HB ARG 24 1.543 -6.758 -12.156 175 HB3 ARG 24 2HB ARG 24 1.995 -5.881 -10.696 176 HG2 ARG 24 1HG ARG 24 3.481 -7.757 -10.091 177 HG3 ARG 24 2HG ARG 24 3.211 -8.501 -11.629 178 HD2 ARG 24 1HD ARG 24 4.092 -6.444 -12.796 179 HD3 ARG 24 2HD ARG 24 4.294 -5.693 -11.243 180 HE ARG 24 HE ARG 24 6.333 -6.687 -11.108 181 HH11 ARG 24 1HH1 ARG 24 4.422 -8.710 -13.334 182 HH12 ARG 24 2HH1 ARG 24 5.702 -9.872 -13.561 183 HH21 ARG 24 1HH2 ARG 24 7.976 -8.123 -11.493 184 HH22 ARG 24 2HH2 ARG 24 7.783 -9.436 -12.662 185 H LEU 25 H LEU 25 -0.427 -9.461 -11.632 186 HA LEU 25 HA LEU 25 1.370 -11.707 -10.865 187 HB2 LEU 25 1HB LEU 25 -1.625 -11.946 -11.251 188 HB3 LEU 25 2HB LEU 25 -0.505 -13.232 -10.829 189 HG LEU 25 HG LEU 25 -1.305 -10.883 -9.061 190 HD11 LEU 25 1HD1 LEU 25 -2.990 -12.730 -9.610 191 HD12 LEU 25 2HD1 LEU 25 -2.740 -12.364 -7.935 192 HD13 LEU 25 3HD1 LEU 25 -1.989 -13.818 -8.650 193 HD21 LEU 25 3HD2 LEU 25 -0.216 -12.185 -7.215 194 HD22 LEU 25 1HD2 LEU 25 0.951 -11.598 -8.394 195 HD23 LEU 25 2HD2 LEU 25 0.454 -13.295 -8.413 196 H GLY 26 H GLY 26 2.510 -11.182 -12.835 197 HA2 GLY 26 1HA GLY 26 3.003 -11.573 -15.035 198 HA3 GLY 26 2HA GLY 26 1.703 -12.765 -15.012 199 H ASP 27 H ASP 27 1.464 -9.294 -14.570 200 HA ASP 27 HA ASP 27 0.833 -7.529 -15.713 201 HB2 ASP 27 1HB ASP 27 1.507 -9.059 -18.224 202 HB3 ASP 27 2HB ASP 27 1.610 -7.321 -17.911 203 H THR 28 H THR 28 -1.252 -9.821 -15.485 204 HA THR 28 HA THR 28 -3.393 -8.152 -16.518 205 HB THR 28 HB THR 28 -2.916 -9.367 -18.550 206 HG1 THR 28 1HG THR 28 -4.962 -10.535 -18.720 207 HG21 THR 28 3HG2 THR 28 -1.818 -11.407 -17.639 208 HG22 THR 28 1HG2 THR 28 -3.087 -11.771 -18.805 209 HG23 THR 28 2HG2 THR 28 -3.409 -11.977 -17.074 210 H GLY 29 H GLY 29 -2.368 -11.190 -14.919 211 HA2 GLY 29 1HA GLY 29 -4.834 -11.829 -13.738 212 HA3 GLY 29 2HA GLY 29 -3.211 -12.383 -13.250 213 H SER 30 H SER 30 -3.232 -9.097 -12.987 214 HA SER 30 HA SER 30 -2.278 -9.291 -10.463 215 HB2 SER 30 1HB SER 30 -3.610 -6.778 -11.372 216 HB3 SER 30 2HB SER 30 -2.139 -6.911 -10.461 217 HG SER 30 HG SER 30 -1.872 -6.505 -12.871 218 H PHE 31 H PHE 31 -2.927 -8.884 -8.424 219 HA PHE 31 HA PHE 31 -5.790 -9.424 -7.835 220 HB2 PHE 31 1HB PHE 31 -4.427 -10.993 -6.768 221 HB3 PHE 31 2HB PHE 31 -3.195 -9.866 -6.325 222 HD1 PHE 31 1HD PHE 31 -6.938 -10.247 -5.630 223 HD2 PHE 31 2HD PHE 31 -2.981 -9.681 -4.017 224 HE1 PHE 31 1HE PHE 31 -7.889 -10.023 -3.344 225 HE2 PHE 31 2HE PHE 31 -3.953 -9.459 -1.740 226 HZ PHE 31 HZ PHE 31 -6.409 -9.630 -1.418 227 H ASP 32 H ASP 32 -6.882 -8.004 -6.344 228 HA ASP 32 HA ASP 32 -5.707 -5.443 -5.612 229 HB2 ASP 32 1HB ASP 32 -6.546 -4.571 -7.531 230 HB3 ASP 32 2HB ASP 32 -7.908 -5.716 -7.628 231 H GLY 33 H GLY 33 -6.271 -5.198 -3.550 232 HA2 GLY 33 1HA GLY 33 -8.894 -6.044 -2.533 233 HA3 GLY 33 2HA GLY 33 -7.479 -6.866 -1.840 234 H THR 34 H THR 34 -8.520 -5.696 0.136 235 HA THR 34 HA THR 34 -7.357 -2.954 0.373 236 HB THR 34 HB THR 34 -9.770 -3.890 1.947 237 HG1 THR 34 1HG THR 34 -9.838 -2.701 -0.632 238 HG21 THR 34 3HG2 THR 34 -10.279 -1.468 2.067 239 HG22 THR 34 1HG2 THR 34 -8.840 -1.120 1.059 240 HG23 THR 34 2HG2 THR 34 -8.683 -1.797 2.711 241 H ALA 35 H ALA 35 -6.509 -2.560 2.600 242 HA ALA 35 HA ALA 35 -6.888 -4.662 4.540 243 HB1 ALA 35 1HB ALA 35 -4.702 -5.399 3.466 244 HB2 ALA 35 2HB ALA 35 -4.074 -3.781 3.793 245 HB3 ALA 35 3HB ALA 35 -4.477 -4.865 5.136 246 H ALA 36 H ALA 36 -6.341 -4.065 6.606 247 HA ALA 36 HA ALA 36 -6.100 -1.187 7.213 248 HB1 ALA 36 1HB ALA 36 -7.607 -2.571 8.619 249 HB2 ALA 36 2HB ALA 36 -6.266 -3.679 8.978 250 HB3 ALA 36 3HB ALA 36 -6.211 -2.002 9.553 251 H ILE 37 H ILE 37 -4.203 -0.335 7.626 252 HA ILE 37 HA ILE 37 -1.705 -1.822 7.803 253 HB ILE 37 HB ILE 37 -2.414 1.086 8.394 254 HG12 ILE 37 1HG1 ILE 37 -1.034 -0.017 5.914 255 HG13 ILE 37 2HG1 ILE 37 -2.748 0.374 5.948 256 HG21 ILE 37 1HG2 ILE 37 -0.303 0.385 9.494 257 HG22 ILE 37 2HG2 ILE 37 0.322 -0.211 7.947 258 HG23 ILE 37 3HG2 ILE 37 0.006 1.525 8.220 259 HD11 ILE 37 3HD1 ILE 37 -0.498 2.386 6.289 260 HD12 ILE 37 1HD1 ILE 37 -1.466 2.100 4.852 261 HD13 ILE 37 2HD1 ILE 37 -2.250 2.726 6.315 262 H THR 38 H THR 38 -0.532 -1.704 9.839 263 HA THR 38 HA THR 38 -2.176 -1.628 12.301 264 HB THR 38 HB THR 38 -0.895 -3.739 13.015 265 HG1 THR 38 1HG THR 38 -0.413 -3.811 10.215 266 HG21 THR 38 3HG2 THR 38 -3.325 -3.567 12.335 267 HG22 THR 38 1HG2 THR 38 -2.585 -5.138 12.077 268 HG23 THR 38 2HG2 THR 38 -2.851 -4.073 10.687 269 H SER 39 H SER 39 1.044 -1.597 10.783 270 HA SER 39 HA SER 39 2.020 0.217 12.910 271 HB2 SER 39 1HB SER 39 3.404 -2.327 11.967 272 HB3 SER 39 2HB SER 39 4.061 -1.149 13.134 273 HG SER 39 HG SER 39 3.062 -2.764 14.385 274 H LEU 40 H LEU 40 3.408 1.792 12.075 275 HA LEU 40 HA LEU 40 4.320 1.513 9.283 276 HB2 LEU 40 1HB LEU 40 1.975 2.738 9.721 277 HB3 LEU 40 2HB LEU 40 3.014 4.121 10.049 278 HG LEU 40 HG LEU 40 3.077 2.385 7.545 279 HD11 LEU 40 1HD1 LEU 40 0.919 3.517 7.775 280 HD12 LEU 40 2HD1 LEU 40 1.846 4.206 6.455 281 HD13 LEU 40 3HD1 LEU 40 1.740 5.073 8.004 282 HD21 LEU 40 3HD2 LEU 40 4.192 5.187 7.885 283 HD22 LEU 40 1HD2 LEU 40 4.313 4.147 6.449 284 HD23 LEU 40 2HD2 LEU 40 5.190 3.718 7.895 285 H LYS 41 H LYS 41 6.358 2.228 9.098 286 HA LYS 41 HA LYS 41 7.397 4.279 10.907 287 HB2 LYS 41 1HB LYS 41 7.904 2.123 12.001 288 HB3 LYS 41 2HB LYS 41 8.808 1.597 10.580 289 HG2 LYS 41 1HG LYS 41 10.525 3.183 10.909 290 HG3 LYS 41 2HG LYS 41 9.506 4.269 11.826 291 HD2 LYS 41 1HD LYS 41 10.531 1.602 12.866 292 HD3 LYS 41 2HD LYS 41 11.220 3.202 13.197 293 HE2 LYS 41 1HE LYS 41 8.851 3.869 14.021 294 HE3 LYS 41 2HE LYS 41 8.490 2.137 14.034 295 HZ1 LYS 41 3HZ LYS 41 10.632 3.465 15.573 296 HZ2 LYS 41 1HZ LYS 41 10.319 1.857 15.619 297 HZ3 LYS 41 2HZ LYS 41 9.196 2.964 16.156 298 H GLY 42 H GLY 42 7.013 5.455 8.967 299 HA2 GLY 42 1HA GLY 42 8.158 6.738 7.458 300 HA3 GLY 42 2HA GLY 42 9.552 5.695 7.724 301 H SER 43 H SER 43 10.239 4.670 5.985 302 HA SER 43 HA SER 43 8.746 4.180 3.478 303 HB2 SER 43 1HB SER 43 10.897 2.920 3.037 304 HB3 SER 43 2HB SER 43 11.005 4.664 3.190 305 HG SER 43 HG SER 43 11.937 4.508 5.202 306 H LEU 44 H LEU 44 8.375 2.766 6.383 307 HA LEU 44 HA LEU 44 7.873 0.102 5.130 308 HB2 LEU 44 1HB LEU 44 9.861 0.289 6.644 309 HB3 LEU 44 2HB LEU 44 8.792 0.722 7.968 310 HG LEU 44 HG LEU 44 9.637 -1.640 7.828 311 HD11 LEU 44 1HD1 LEU 44 7.589 -0.973 9.204 312 HD12 LEU 44 2HD1 LEU 44 7.865 -2.686 8.810 313 HD13 LEU 44 3HD1 LEU 44 6.658 -1.771 7.920 314 HD21 LEU 44 3HD2 LEU 44 8.861 -3.217 6.372 315 HD22 LEU 44 1HD2 LEU 44 9.354 -1.834 5.391 316 HD23 LEU 44 2HD2 LEU 44 7.629 -2.125 5.694 317 H ALA 45 H ALA 45 5.922 -0.804 5.490 318 HA ALA 45 HA ALA 45 4.258 0.024 7.787 319 HB1 ALA 45 1HB ALA 45 2.976 -0.370 5.065 320 HB2 ALA 45 2HB ALA 45 2.230 0.226 6.544 321 HB3 ALA 45 3HB ALA 45 3.412 1.223 5.681 322 H TRP 46 H TRP 46 2.693 -1.653 8.393 323 HA TRP 46 HA TRP 46 3.020 -4.313 7.078 324 HB2 TRP 46 1HB TRP 46 2.953 -3.567 10.005 325 HB3 TRP 46 2HB TRP 46 2.337 -5.115 9.487 326 HD1 TRP 46 HD TRP 46 5.589 -3.177 9.772 327 HE1 TRP 46 1HE TRP 46 7.584 -4.783 9.540 328 HE3 TRP 46 3HE TRP 46 3.082 -7.435 8.477 329 HZ2 TRP 46 2HZ TRP 46 8.029 -7.412 8.475 330 HZ3 TRP 46 3HZ TRP 46 4.308 -9.512 7.961 331 HH2 TRP 46 HH TRP 46 6.800 -9.513 7.901 332 H LEU 47 H LEU 47 1.153 -4.780 6.032 333 HA LEU 47 HA LEU 47 -1.463 -3.985 7.062 334 HB2 LEU 47 1HB LEU 47 -0.421 -5.617 4.661 335 HB3 LEU 47 2HB LEU 47 -2.122 -5.442 5.025 336 HG LEU 47 HG LEU 47 -1.909 -3.950 3.422 337 HD11 LEU 47 1HD1 LEU 47 -2.833 -2.811 5.421 338 HD12 LEU 47 2HD1 LEU 47 -2.083 -1.688 4.300 339 HD13 LEU 47 3HD1 LEU 47 -1.209 -2.179 5.753 340 HD21 LEU 47 3HD2 LEU 47 0.452 -3.925 2.970 341 HD22 LEU 47 1HD2 LEU 47 0.696 -2.766 4.315 342 HD23 LEU 47 2HD2 LEU 47 -0.262 -2.320 2.888 343 H GLU 48 H GLU 48 -3.169 -5.625 7.353 344 HA GLU 48 HA GLU 48 -2.326 -8.432 7.803 345 HB2 GLU 48 1HB GLU 48 -3.932 -6.712 9.771 346 HB3 GLU 48 2HB GLU 48 -3.836 -8.499 9.843 347 HG2 GLU 48 1HG GLU 48 -1.395 -8.364 9.955 348 HG3 GLU 48 2HG GLU 48 -1.487 -6.599 10.052 349 H LEU 49 H LEU 49 -3.369 -7.497 5.565 350 HA LEU 49 HA LEU 49 -5.059 -7.301 4.118 351 HB2 LEU 49 1HB LEU 49 -5.115 -9.988 5.229 352 HB3 LEU 49 2HB LEU 49 -6.672 -9.585 4.551 353 HG LEU 49 HG LEU 49 -4.018 -9.182 3.145 354 HD11 LEU 49 1HD1 LEU 49 -6.136 -11.313 2.706 355 HD12 LEU 49 2HD1 LEU 49 -4.611 -11.591 3.466 356 HD13 LEU 49 3HD1 LEU 49 -4.627 -11.123 1.779 357 HD21 LEU 49 3HD2 LEU 49 -5.430 -8.916 1.078 358 HD22 LEU 49 1HD2 LEU 49 -5.878 -7.686 2.263 359 HD23 LEU 49 2HD2 LEU 49 -6.901 -9.115 2.058 360 H PHE 50 H PHE 50 -7.776 -7.904 3.954 361 HA PHE 50 HA PHE 50 -8.999 -6.583 6.297 362 HB2 PHE 50 1HB PHE 50 -8.835 -5.320 3.850 363 HB3 PHE 50 2HB PHE 50 -10.322 -6.196 3.641 364 HD1 PHE 50 2HD PHE 50 -8.614 -4.386 6.422 365 HD2 PHE 50 1HD PHE 50 -12.137 -4.771 4.011 366 HE1 PHE 50 2HE PHE 50 -9.568 -2.410 7.537 367 HE2 PHE 50 1HE PHE 50 -13.135 -2.775 5.146 368 HZ PHE 50 HZ PHE 50 -11.887 -1.615 6.912 369 H GLY 51 H GLY 51 -10.239 -8.093 7.235 370 HA2 GLY 51 1HA GLY 51 -12.006 -9.511 7.390 371 HA3 GLY 51 2HA GLY 51 -12.337 -9.312 5.663 372 H ALA 52 H ALA 52 -12.754 -11.559 5.509 373 HA ALA 52 HA ALA 52 -10.505 -13.460 5.806 374 HB1 ALA 52 1HB ALA 52 -12.726 -14.088 6.611 375 HB2 ALA 52 2HB ALA 52 -13.413 -13.862 4.986 376 HB3 ALA 52 3HB ALA 52 -12.219 -15.145 5.284 377 H GLU 53 H GLU 53 -11.206 -11.216 3.457 378 HA GLU 53 HA GLU 53 -11.021 -12.970 1.100 379 HB2 GLU 53 1HB GLU 53 -11.239 -9.972 1.563 380 HB3 GLU 53 2HB GLU 53 -10.714 -10.628 -0.007 381 HG2 GLU 53 1HG GLU 53 -12.709 -12.042 -0.150 382 HG3 GLU 53 2HG GLU 53 -13.251 -11.490 1.433 383 H GLN 54 H GLN 54 -9.125 -13.474 0.085 384 HA GLN 54 HA GLN 54 -6.650 -12.172 0.825 385 HB2 GLN 54 1HB GLN 54 -5.654 -14.245 1.777 386 HB3 GLN 54 2HB GLN 54 -7.017 -13.678 2.719 387 HG2 GLN 54 1HG GLN 54 -8.422 -15.420 1.357 388 HG3 GLN 54 2HG GLN 54 -6.867 -16.094 0.897 389 HE21 GLN 54 1HE2 GLN 54 -5.375 -15.930 3.294 390 HE22 GLN 54 2HE2 GLN 54 -6.172 -16.886 4.520 391 HA PRO 55 HA PRO 55 -5.585 -13.508 -3.236 392 HB2 PRO 55 1HB PRO 55 -2.852 -13.944 -3.083 393 HB3 PRO 55 2HB PRO 55 -3.649 -12.347 -3.122 394 HG2 PRO 55 1HG PRO 55 -2.615 -13.884 -0.744 395 HG3 PRO 55 2HG PRO 55 -2.450 -12.137 -1.129 396 HD2 PRO 55 1HD PRO 55 -4.301 -13.082 0.605 397 HD3 PRO 55 2HD PRO 55 -4.621 -11.662 -0.432 398 HA PRO 56 HA PRO 56 -4.977 -18.062 -3.299 399 HB2 PRO 56 1HB PRO 56 -3.036 -18.325 -5.317 400 HB3 PRO 56 2HB PRO 56 -4.821 -18.250 -5.571 401 HG2 PRO 56 1HG PRO 56 -2.725 -16.120 -5.820 402 HG3 PRO 56 2HG PRO 56 -4.156 -16.383 -6.864 403 HD2 PRO 56 1HD PRO 56 -3.960 -14.468 -4.915 404 HD3 PRO 56 2HD PRO 56 -5.499 -15.214 -5.358 405 HA PRO 57 HA PRO 57 -1.083 -18.406 -0.979 406 HB2 PRO 57 1HB PRO 57 -0.725 -21.091 -0.871 407 HB3 PRO 57 2HB PRO 57 -2.091 -20.312 -0.012 408 HG2 PRO 57 1HG PRO 57 -2.084 -21.572 -2.770 409 HG3 PRO 57 2HG PRO 57 -3.211 -21.919 -1.421 410 HD2 PRO 57 1HD PRO 57 -3.835 -20.185 -3.421 411 HD3 PRO 57 2HD PRO 57 -4.350 -19.871 -1.737 412 H ASN 58 H ASN 58 1.160 -19.494 -1.406 413 HA ASN 58 HA ASN 58 2.987 -19.431 -2.713 414 HB2 ASN 58 1HB ASN 58 3.418 -21.294 -3.820 415 HB3 ASN 58 2HB ASN 58 2.067 -21.811 -2.836 416 HD21 ASN 58 1HD2 ASN 58 -0.100 -20.828 -4.631 417 HD22 ASN 58 2HD2 ASN 58 0.010 -21.860 -6.054 418 H THR 59 H THR 59 1.535 -17.224 -3.254 419 HA THR 59 HA THR 59 2.112 -16.683 -6.124 420 HB THR 59 HB THR 59 -0.376 -15.764 -4.624 421 HG1 THR 59 1HG THR 59 -0.436 -18.020 -5.140 422 HG21 THR 59 3HG2 THR 59 0.173 -14.190 -6.250 423 HG22 THR 59 1HG2 THR 59 -1.160 -15.166 -6.880 424 HG23 THR 59 2HG2 THR 59 0.491 -15.454 -7.479 425 H LEU 60 H LEU 60 1.403 -15.205 -2.875 426 HA LEU 60 HA LEU 60 2.512 -12.658 -3.505 427 HB2 LEU 60 1HB LEU 60 1.748 -14.140 -0.996 428 HB3 LEU 60 2HB LEU 60 2.830 -12.782 -0.823 429 HG LEU 60 HG LEU 60 0.161 -12.592 -2.246 430 HD11 LEU 60 1HD1 LEU 60 -0.567 -11.299 -0.238 431 HD12 LEU 60 2HD1 LEU 60 0.884 -11.851 0.611 432 HD13 LEU 60 3HD1 LEU 60 -0.317 -13.034 0.053 433 HD21 LEU 60 3HD2 LEU 60 1.781 -10.775 -2.907 434 HD22 LEU 60 1HD2 LEU 60 2.036 -10.428 -1.193 435 HD23 LEU 60 2HD2 LEU 60 0.453 -10.148 -1.920 436 H SER 61 H SER 61 4.484 -11.737 -3.068 437 HA SER 61 HA SER 61 6.742 -13.572 -2.407 438 HB2 SER 61 1HB SER 61 7.040 -11.446 -4.492 439 HB3 SER 61 2HB SER 61 7.851 -13.005 -4.327 440 HG SER 61 HG SER 61 6.057 -14.002 -5.216 441 H GLU 62 H GLU 62 8.701 -12.458 -1.690 442 HA GLU 62 HA GLU 62 8.057 -10.308 0.111 443 HB2 GLU 62 1HB GLU 62 10.792 -11.472 -0.545 444 HB3 GLU 62 2HB GLU 62 10.337 -10.493 0.856 445 HG2 GLU 62 1HG GLU 62 8.551 -12.527 1.120 446 HG3 GLU 62 2HG GLU 62 9.855 -13.384 0.303 447 H GLY 63 H GLY 63 8.726 -10.107 -3.076 448 HA2 GLY 63 1HA GLY 63 9.732 -7.321 -2.926 449 HA3 GLY 63 2HA GLY 63 10.575 -8.501 -3.942 450 H ALA 64 H ALA 64 7.099 -8.715 -3.426 451 HA ALA 64 HA ALA 64 6.397 -8.539 -6.252 452 HB1 ALA 64 1HB ALA 64 4.874 -8.547 -3.586 453 HB2 ALA 64 2HB ALA 64 4.045 -8.259 -5.104 454 HB3 ALA 64 3HB ALA 64 4.886 -9.812 -4.842 455 H GLU 65 H GLU 65 5.972 -6.577 -7.315 456 HA GLU 65 HA GLU 65 6.370 -4.071 -5.854 457 HB2 GLU 65 1HB GLU 65 5.900 -3.014 -8.011 458 HB3 GLU 65 2HB GLU 65 7.331 -4.049 -8.061 459 HG2 GLU 65 1HG GLU 65 6.056 -5.782 -9.237 460 HG3 GLU 65 2HG GLU 65 4.587 -4.829 -9.126 461 H VAL 66 H VAL 66 4.648 -3.006 -5.177 462 HA VAL 66 HA VAL 66 1.964 -3.869 -5.881 463 HB VAL 66 HB VAL 66 1.149 -4.173 -3.647 464 HG11 VAL 66 1HG1 VAL 66 3.646 -5.899 -3.915 465 HG12 VAL 66 2HG1 VAL 66 2.151 -6.276 -3.046 466 HG13 VAL 66 3HG1 VAL 66 2.135 -6.142 -4.813 467 HG21 VAL 66 3HG2 VAL 66 2.712 -4.386 -1.703 468 HG22 VAL 66 1HG2 VAL 66 3.983 -3.621 -2.686 469 HG23 VAL 66 2HG2 VAL 66 2.471 -2.747 -2.308 470 H SER 67 H SER 67 0.497 -2.201 -5.801 471 HA SER 67 HA SER 67 1.713 0.480 -5.310 472 HB2 SER 67 1HB SER 67 -0.189 1.129 -6.979 473 HB3 SER 67 2HB SER 67 1.329 0.431 -7.523 474 HG SER 67 HG SER 67 -1.123 -0.973 -7.211 475 H VAL 68 H VAL 68 0.771 1.907 -3.971 476 HA VAL 68 HA VAL 68 -1.448 0.886 -2.285 477 HB VAL 68 HB VAL 68 0.095 3.380 -1.641 478 HG11 VAL 68 1HG1 VAL 68 -0.185 2.659 0.640 479 HG12 VAL 68 2HG1 VAL 68 -1.714 2.752 -0.226 480 HG13 VAL 68 3HG1 VAL 68 -0.960 1.159 0.084 481 HG21 VAL 68 3HG2 VAL 68 1.852 2.154 -0.418 482 HG22 VAL 68 1HG2 VAL 68 1.292 0.627 -1.134 483 HG23 VAL 68 2HG2 VAL 68 2.004 1.900 -2.155 484 H SER 69 H SER 69 -3.377 2.173 -2.123 485 HA SER 69 HA SER 69 -3.199 4.936 -2.850 486 HB2 SER 69 1HB SER 69 -5.297 4.844 -4.198 487 HB3 SER 69 2HB SER 69 -3.894 4.020 -4.932 488 HG SER 69 HG SER 69 -5.317 2.605 -5.279 489 H VAL 70 H VAL 70 -5.017 6.199 -1.925 490 HA VAL 70 HA VAL 70 -6.965 4.959 -0.267 491 HB VAL 70 HB VAL 70 -5.015 4.687 1.191 492 HG11 VAL 70 1HG1 VAL 70 -4.652 7.717 1.185 493 HG12 VAL 70 2HG1 VAL 70 -3.678 6.512 2.061 494 HG13 VAL 70 3HG1 VAL 70 -3.606 6.599 0.283 495 HG21 VAL 70 3HG2 VAL 70 -7.220 5.292 2.186 496 HG22 VAL 70 1HG2 VAL 70 -5.821 5.668 3.182 497 HG23 VAL 70 2HG2 VAL 70 -6.641 6.961 2.315 498 H TRP 71 H TRP 71 -8.468 6.552 0.374 499 HA TRP 71 HA TRP 71 -8.378 9.175 -0.938 500 HB2 TRP 71 1HB TRP 71 -10.424 7.922 0.942 501 HB3 TRP 71 2HB TRP 71 -10.601 9.435 0.055 502 HD1 TRP 71 HD TRP 71 -10.711 5.663 -0.431 503 HE1 TRP 71 1HE TRP 71 -11.622 5.070 -2.729 504 HE3 TRP 71 3HE TRP 71 -10.810 10.338 -2.438 505 HZ2 TRP 71 2HZ TRP 71 -12.248 6.473 -5.217 506 HZ3 TRP 71 3HZ TRP 71 -11.643 10.716 -4.713 507 HH2 TRP 71 HH TRP 71 -12.249 8.805 -6.169 508 H THR 72 H THR 72 -7.031 10.670 0.036 509 HA THR 72 HA THR 72 -7.365 11.234 2.868 510 HB THR 72 HB THR 72 -5.498 9.601 2.940 511 HG1 THR 72 1HG THR 72 -5.273 11.221 4.440 512 HG21 THR 72 3HG2 THR 72 -3.356 10.025 1.872 513 HG22 THR 72 1HG2 THR 72 -3.959 11.528 1.132 514 HG23 THR 72 2HG2 THR 72 -4.615 9.948 0.623 515 H GLY 73 H GLY 73 -6.722 13.473 3.286 516 HA2 GLY 73 1HA GLY 73 -6.537 15.659 2.774 517 HA3 GLY 73 2HA GLY 73 -5.559 15.185 1.381 518 H GLY 74 H GLY 74 -8.644 13.774 1.054 519 HA2 GLY 74 1HA GLY 74 -10.694 14.702 0.222 520 HA3 GLY 74 2HA GLY 74 -9.809 16.089 -0.413 521 H ALA 75 H ALA 75 -7.977 13.294 -1.218 522 HA ALA 75 HA ALA 75 -9.449 12.823 -3.712 523 HB1 ALA 75 1HB ALA 75 -6.815 14.345 -3.509 524 HB2 ALA 75 2HB ALA 75 -7.282 13.476 -4.989 525 HB3 ALA 75 3HB ALA 75 -8.288 14.782 -4.380 526 H LEU 76 H LEU 76 -8.128 11.125 -5.080 527 HA LEU 76 HA LEU 76 -7.434 8.962 -3.205 528 HB2 LEU 76 1HB LEU 76 -8.979 8.572 -5.156 529 HB3 LEU 76 2HB LEU 76 -7.652 8.948 -6.232 530 HG LEU 76 HG LEU 76 -6.345 7.046 -5.045 531 HD11 LEU 76 1HD1 LEU 76 -7.653 5.340 -3.904 532 HD12 LEU 76 2HD1 LEU 76 -9.156 6.236 -4.191 533 HD13 LEU 76 3HD1 LEU 76 -7.947 6.875 -3.073 534 HD21 LEU 76 3HD2 LEU 76 -8.834 6.381 -6.664 535 HD22 LEU 76 1HD2 LEU 76 -7.469 5.291 -6.396 536 HD23 LEU 76 2HD2 LEU 76 -7.229 6.786 -7.307 537 H CYS 77 H CYS 77 -5.419 9.411 -2.426 538 HA CYS 77 HA CYS 77 -3.190 10.248 -4.197 539 HB2 CYS 77 1HB CYS 77 -3.509 9.705 -1.235 540 HB3 CYS 77 2HB CYS 77 -1.933 9.478 -1.964 541 HG CYS 77 HG CYS 77 -2.702 12.033 -0.754 542 H ARG 78 H ARG 78 -1.408 8.822 -4.607 543 HA ARG 78 HA ARG 78 -1.689 6.040 -3.785 544 HB2 ARG 78 1HB ARG 78 -2.001 5.020 -5.870 545 HB3 ARG 78 2HB ARG 78 -3.005 6.433 -6.004 546 HG2 ARG 78 1HG ARG 78 -1.983 6.723 -7.937 547 HG3 ARG 78 2HG ARG 78 -0.687 7.450 -6.995 548 HD2 ARG 78 1HD ARG 78 0.786 5.852 -7.595 549 HD3 ARG 78 2HD ARG 78 -0.305 4.539 -7.150 550 HE ARG 78 HE ARG 78 0.212 5.613 -9.764 551 HH11 ARG 78 1HH1 ARG 78 -1.697 3.271 -8.044 552 HH12 ARG 78 2HH1 ARG 78 -2.844 3.006 -9.307 553 HH21 ARG 78 1HH2 ARG 78 -1.406 5.431 -11.437 554 HH22 ARG 78 2HH2 ARG 78 -2.646 4.224 -11.307 555 H CYS 79 H CYS 79 0.228 4.729 -4.651 556 HA CYS 79 HA CYS 79 2.456 6.197 -5.644 557 HB2 CYS 79 1HB CYS 79 2.353 6.490 -2.937 558 HB3 CYS 79 2HB CYS 79 3.113 4.886 -2.973 559 HG CYS 79 HG CYS 79 5.201 5.503 -4.235 560 H ASP 80 H ASP 80 4.300 4.683 -6.044 561 HA ASP 80 HA ASP 80 3.464 1.841 -6.361 562 HB2 ASP 80 1HB ASP 80 5.658 3.549 -7.614 563 HB3 ASP 80 2HB ASP 80 5.500 1.815 -7.872 564 H GLY 81 H GLY 81 4.795 0.174 -5.438 565 HA2 GLY 81 1HA GLY 81 7.192 0.693 -3.884 566 HA3 GLY 81 2HA GLY 81 5.747 0.501 -2.925 567 H ARG 82 H ARG 82 6.984 -1.415 -2.113 568 HA ARG 82 HA ARG 82 6.375 -3.807 -3.667 569 HB2 ARG 82 1HB ARG 82 8.621 -4.811 -3.419 570 HB3 ARG 82 2HB ARG 82 8.512 -3.457 -4.524 571 HG2 ARG 82 1HG ARG 82 9.149 -2.321 -1.932 572 HG3 ARG 82 2HG ARG 82 10.132 -3.767 -2.123 573 HD2 ARG 82 1HD ARG 82 10.582 -2.837 -4.510 574 HD3 ARG 82 2HD ARG 82 9.910 -1.327 -3.921 575 HE ARG 82 HE ARG 82 11.832 -0.901 -2.742 576 HH11 ARG 82 1HH1 ARG 82 11.992 -4.399 -3.600 577 HH12 ARG 82 2HH1 ARG 82 13.374 -4.614 -2.551 578 HH21 ARG 82 1HH2 ARG 82 13.754 -1.309 -1.609 579 HH22 ARG 82 2HH2 ARG 82 14.339 -2.953 -1.473 580 H VAL 83 H VAL 83 6.956 -5.870 -2.251 581 HA VAL 83 HA VAL 83 5.822 -5.535 0.322 582 HB VAL 83 HB VAL 83 6.978 -7.839 -1.201 583 HG11 VAL 83 1HG1 VAL 83 5.996 -9.358 0.504 584 HG12 VAL 83 2HG1 VAL 83 7.349 -8.449 1.138 585 HG13 VAL 83 3HG1 VAL 83 5.700 -7.961 1.562 586 HG21 VAL 83 3HG2 VAL 83 4.578 -8.494 -1.242 587 HG22 VAL 83 1HG2 VAL 83 4.171 -7.050 -0.286 588 HG23 VAL 83 2HG2 VAL 83 4.808 -6.878 -1.933 589 H GLU 84 H GLU 84 9.146 -6.069 -0.583 590 HA GLU 84 HA GLU 84 11.194 -6.035 0.503 591 HB2 GLU 84 1HB GLU 84 10.109 -4.013 1.707 592 HB3 GLU 84 2HB GLU 84 9.971 -5.179 3.032 593 HG2 GLU 84 1HG GLU 84 11.846 -4.095 3.601 594 HG3 GLU 84 2HG GLU 84 12.488 -5.536 2.826 595 H THR 85 H THR 85 8.524 -7.238 2.664 596 HA THR 85 HA THR 85 9.977 -9.735 3.204 597 HB THR 85 HB THR 85 9.086 -7.875 5.450 598 HG1 THR 85 1HG THR 85 11.451 -8.026 4.086 599 HG21 THR 85 3HG2 THR 85 10.724 -10.442 5.473 600 HG22 THR 85 1HG2 THR 85 9.084 -10.222 6.124 601 HG23 THR 85 2HG2 THR 85 10.456 -9.386 6.879 602 H LEU 86 H LEU 86 8.459 -11.380 3.624 603 HA LEU 86 HA LEU 86 5.616 -10.589 3.841 604 HB2 LEU 86 1HB LEU 86 6.526 -11.543 1.595 605 HB3 LEU 86 2HB LEU 86 6.701 -13.048 2.470 606 HG LEU 86 HG LEU 86 4.084 -12.397 3.067 607 HD11 LEU 86 1HD1 LEU 86 2.994 -11.478 1.130 608 HD12 LEU 86 2HD1 LEU 86 4.511 -11.473 0.184 609 HD13 LEU 86 3HD1 LEU 86 4.300 -10.365 1.535 610 HD21 LEU 86 3HD2 LEU 86 4.998 -13.830 0.531 611 HD22 LEU 86 1HD2 LEU 86 3.418 -13.992 1.344 612 HD23 LEU 86 2HD2 LEU 86 4.907 -14.544 2.154 613 H ARG 87 H ARG 87 4.337 -12.275 5.037 614 HA ARG 87 HA ARG 87 5.971 -13.907 6.925 615 HB2 ARG 87 1HB ARG 87 5.707 -11.616 7.837 616 HB3 ARG 87 2HB ARG 87 3.946 -11.760 7.723 617 HG2 ARG 87 1HG ARG 87 4.001 -13.624 9.364 618 HG3 ARG 87 2HG ARG 87 5.769 -13.474 9.447 619 HD2 ARG 87 1HD ARG 87 5.367 -11.014 10.110 620 HD3 ARG 87 2HD ARG 87 3.660 -11.455 10.308 621 HE ARG 87 HE ARG 87 5.269 -13.323 11.701 622 HH11 ARG 87 1HH1 ARG 87 4.283 -9.912 11.932 623 HH12 ARG 87 2HH1 ARG 87 4.772 -9.731 13.571 624 HH21 ARG 87 1HH2 ARG 87 5.816 -13.111 13.905 625 HH22 ARG 87 2HH2 ARG 87 5.443 -11.678 14.803 626 H ASP 88 H ASP 88 2.818 -13.187 5.454 627 HA ASP 88 HA ASP 88 2.067 -16.012 5.621 628 HB2 ASP 88 1HB ASP 88 0.422 -13.689 6.735 629 HB3 ASP 88 2HB ASP 88 -0.331 -15.149 6.155 630 H ASP 89 H ASP 89 -0.038 -16.066 4.203 631 HA ASP 89 HA ASP 89 0.123 -14.493 1.755 632 HB2 ASP 89 1HB ASP 89 -2.100 -16.162 2.976 633 HB3 ASP 89 2HB ASP 89 -2.252 -15.361 1.423 634 H ARG 90 H ARG 90 -0.817 -13.661 4.881 635 HA ARG 90 HA ARG 90 -2.602 -11.463 3.955 636 HB2 ARG 90 1HB ARG 90 -4.026 -11.839 5.951 637 HB3 ARG 90 2HB ARG 90 -4.049 -13.200 4.814 638 HG2 ARG 90 1HG ARG 90 -2.495 -14.466 6.234 639 HG3 ARG 90 2HG ARG 90 -2.475 -13.136 7.413 640 HD2 ARG 90 1HD ARG 90 -4.798 -13.450 7.930 641 HD3 ARG 90 2HD ARG 90 -5.010 -14.516 6.524 642 HE ARG 90 HE ARG 90 -3.041 -15.485 8.447 643 HH11 ARG 90 1HH1 ARG 90 -6.529 -15.366 7.738 644 HH12 ARG 90 2HH1 ARG 90 -6.819 -16.981 8.303 645 HH21 ARG 90 1HH2 ARG 90 -3.496 -17.597 9.391 646 HH22 ARG 90 2HH2 ARG 90 -5.140 -18.105 9.439 647 H GLN 91 H GLN 91 0.235 -12.108 5.730 648 HA GLN 91 HA GLN 91 0.052 -9.445 6.972 649 HB2 GLN 91 1HB GLN 91 1.365 -11.897 8.215 650 HB3 GLN 91 2HB GLN 91 1.318 -10.262 8.851 651 HG2 GLN 91 1HG GLN 91 -1.280 -10.535 8.874 652 HG3 GLN 91 2HG GLN 91 -0.953 -12.248 8.617 653 HE21 GLN 91 1HE2 GLN 91 0.058 -9.544 10.811 654 HE22 GLN 91 2HE2 GLN 91 0.236 -10.559 12.207 655 H PHE 92 H PHE 92 1.772 -8.289 6.243 656 HA PHE 92 HA PHE 92 4.320 -9.385 5.563 657 HB2 PHE 92 1HB PHE 92 4.186 -8.718 3.126 658 HB3 PHE 92 2HB PHE 92 3.383 -10.198 3.589 659 HD1 PHE 92 2HD PHE 92 2.722 -6.678 2.571 660 HD2 PHE 92 1HD PHE 92 1.060 -10.599 3.218 661 HE1 PHE 92 2HE PHE 92 0.619 -5.942 1.521 662 HE2 PHE 92 1HE PHE 92 -1.057 -9.868 2.161 663 HZ PHE 92 HZ PHE 92 -1.297 -7.536 1.317 664 H ALA 93 H ALA 93 5.646 -7.537 4.568 665 HA ALA 93 HA ALA 93 4.817 -4.976 5.790 666 HB1 ALA 93 1HB ALA 93 7.117 -4.373 5.732 667 HB2 ALA 93 2HB ALA 93 7.041 -5.995 6.390 668 HB3 ALA 93 3HB ALA 93 7.537 -5.788 4.717 669 H ILE 94 H ILE 94 5.572 -2.972 4.305 670 HA ILE 94 HA ILE 94 6.032 -3.633 1.544 671 HB ILE 94 HB ILE 94 4.612 -1.635 0.837 672 HG12 ILE 94 1HG1 ILE 94 3.021 -2.172 3.365 673 HG13 ILE 94 2HG1 ILE 94 4.096 -0.799 3.118 674 HG21 ILE 94 1HG2 ILE 94 4.109 -3.984 0.242 675 HG22 ILE 94 2HG2 ILE 94 3.012 -4.085 1.649 676 HG23 ILE 94 3HG2 ILE 94 2.670 -2.968 0.320 677 HD11 ILE 94 3HD1 ILE 94 2.730 -0.059 1.191 678 HD12 ILE 94 1HD1 ILE 94 1.567 -1.359 1.553 679 HD13 ILE 94 2HD1 ILE 94 1.861 -0.074 2.741 680 H ARG 95 H ARG 95 7.368 -2.191 0.624 681 HA ARG 95 HA ARG 95 8.678 -0.109 2.300 682 HB2 ARG 95 1HB ARG 95 10.250 -1.895 1.980 683 HB3 ARG 95 2HB ARG 95 9.752 -2.174 0.305 684 HG2 ARG 95 1HG ARG 95 11.924 -1.153 0.368 685 HG3 ARG 95 2HG ARG 95 10.793 0.023 -0.318 686 HD2 ARG 95 1HD ARG 95 10.640 1.204 1.792 687 HD3 ARG 95 2HD ARG 95 11.513 -0.075 2.652 688 HE ARG 95 HE ARG 95 12.622 1.861 0.680 689 HH11 ARG 95 1HH1 ARG 95 13.390 -0.873 2.866 690 HH12 ARG 95 2HH1 ARG 95 14.938 -0.214 3.301 691 HH21 ARG 95 1HH2 ARG 95 14.788 2.368 0.926 692 HH22 ARG 95 2HH2 ARG 95 15.837 1.417 1.967 693 H LEU 96 H LEU 96 8.036 1.700 1.643 694 HA LEU 96 HA LEU 96 6.849 2.166 -1.016 695 HB2 LEU 96 1HB LEU 96 7.540 3.992 1.343 696 HB3 LEU 96 2HB LEU 96 6.641 4.479 -0.086 697 HG LEU 96 HG LEU 96 5.791 2.617 2.156 698 HD11 LEU 96 1HD1 LEU 96 3.755 4.179 2.013 699 HD12 LEU 96 2HD1 LEU 96 4.724 5.174 0.924 700 HD13 LEU 96 3HD1 LEU 96 5.293 4.840 2.586 701 HD21 LEU 96 3HD2 LEU 96 5.106 1.360 0.222 702 HD22 LEU 96 1HD2 LEU 96 4.393 2.813 -0.534 703 HD23 LEU 96 2HD2 LEU 96 3.699 2.115 0.960 704 H VAL 97 H VAL 97 7.759 3.526 -2.551 705 HA VAL 97 HA VAL 97 10.485 4.509 -2.182 706 HB VAL 97 HB VAL 97 11.045 3.764 -4.463 707 HG11 VAL 97 1HG1 VAL 97 11.781 2.510 -2.464 708 HG12 VAL 97 2HG1 VAL 97 10.383 1.427 -2.625 709 HG13 VAL 97 3HG1 VAL 97 11.627 1.483 -3.895 710 HG21 VAL 97 3HG2 VAL 97 8.626 1.974 -4.316 711 HG22 VAL 97 1HG2 VAL 97 8.802 3.360 -5.403 712 HG23 VAL 97 2HG2 VAL 97 9.869 1.947 -5.571 713 H GLY 98 H GLY 98 10.965 6.182 -3.778 714 HA2 GLY 98 1HA GLY 98 10.663 8.033 -4.878 715 HA3 GLY 98 2HA GLY 98 9.125 7.408 -5.525 716 H ARG 99 H ARG 99 7.371 8.181 -4.747 717 HA ARG 99 HA ARG 99 7.108 9.895 -2.361 718 HB2 ARG 99 1HB ARG 99 8.640 11.040 -4.172 719 HB3 ARG 99 2HB ARG 99 7.135 11.374 -5.010 720 HG2 ARG 99 1HG ARG 99 7.553 12.109 -2.101 721 HG3 ARG 99 2HG ARG 99 8.256 13.099 -3.385 722 HD2 ARG 99 1HD ARG 99 5.707 12.958 -4.291 723 HD3 ARG 99 2HD ARG 99 5.436 12.726 -2.550 724 HE ARG 99 HE ARG 99 7.179 14.925 -2.835 725 HH11 ARG 99 1HH1 ARG 99 3.782 14.079 -3.372 726 HH12 ARG 99 2HH1 ARG 99 3.239 15.731 -3.362 727 HH21 ARG 99 1HH2 ARG 99 6.504 17.026 -2.842 728 HH22 ARG 99 2HH2 ARG 99 4.867 17.498 -3.248 729 H VAL 100 H VAL 100 5.001 10.482 -1.919 730 HA VAL 100 HA VAL 100 2.921 9.234 -3.547 731 HB VAL 100 HB VAL 100 2.455 10.786 -1.009 732 HG11 VAL 100 1HG1 VAL 100 0.635 9.145 -0.651 733 HG12 VAL 100 2HG1 VAL 100 0.416 9.986 -2.183 734 HG13 VAL 100 3HG1 VAL 100 1.078 8.328 -2.145 735 HG21 VAL 100 3HG2 VAL 100 3.428 7.911 -1.175 736 HG22 VAL 100 1HG2 VAL 100 4.206 9.293 -0.368 737 HG23 VAL 100 2HG2 VAL 100 2.705 8.661 0.281 738 H ARG 101 H ARG 101 0.965 10.486 -4.347 739 HA ARG 101 HA ARG 101 0.955 13.341 -4.028 740 HB2 ARG 101 1HB ARG 101 0.979 13.572 -6.700 741 HB3 ARG 101 2HB ARG 101 2.424 13.769 -5.724 742 HG2 ARG 101 1HG ARG 101 3.293 11.634 -6.326 743 HG3 ARG 101 2HG ARG 101 1.736 11.088 -6.941 744 HD2 ARG 101 1HD ARG 101 3.262 11.553 -8.763 745 HD3 ARG 101 2HD ARG 101 1.855 12.610 -8.807 746 HE ARG 101 HE ARG 101 4.413 13.528 -7.554 747 HH11 ARG 101 1HH1 ARG 101 2.188 13.805 -10.314 748 HH12 ARG 101 2HH1 ARG 101 3.177 15.002 -11.125 749 HH21 ARG 101 1HH2 ARG 101 5.288 15.486 -8.311 750 HH22 ARG 101 2HH2 ARG 101 4.949 16.010 -9.927 751 H GLU 102 H GLU 102 -0.897 14.291 -5.125 752 HA GLU 102 HA GLU 102 -3.207 12.514 -5.276 753 HB2 GLU 102 1HB GLU 102 -3.057 15.418 -6.222 754 HB3 GLU 102 2HB GLU 102 -4.474 14.492 -5.774 755 HG2 GLU 102 1HG GLU 102 -3.425 14.460 -3.390 756 HG3 GLU 102 2HG GLU 102 -2.360 15.688 -3.972 757 H LEU 103 H LEU 103 -3.678 11.321 -7.157 758 HA LEU 103 HA LEU 103 -3.231 12.748 -9.673 759 HB2 LEU 103 1HB LEU 103 -2.925 10.329 -10.639 760 HB3 LEU 103 2HB LEU 103 -1.646 11.476 -10.271 761 HG LEU 103 HG LEU 103 -2.373 9.368 -8.230 762 HD11 LEU 103 1HD1 LEU 103 -0.472 8.042 -9.359 763 HD12 LEU 103 2HD1 LEU 103 -0.666 9.136 -10.748 764 HD13 LEU 103 3HD1 LEU 103 -2.026 8.083 -10.244 765 HD21 LEU 103 3HD2 LEU 103 0.283 10.647 -9.043 766 HD22 LEU 103 1HD2 LEU 103 -0.048 9.698 -7.572 767 HD23 LEU 103 2HD2 LEU 103 -0.749 11.319 -7.803 768 H GLN 104 H GLN 104 -5.519 11.141 -7.662 769 HA GLN 104 HA GLN 104 -7.506 11.185 -9.843 770 HB2 GLN 104 1HB GLN 104 -6.524 8.774 -8.326 771 HB3 GLN 104 2HB GLN 104 -8.265 8.897 -8.601 772 HG2 GLN 104 1HG GLN 104 -7.944 9.179 -10.980 773 HG3 GLN 104 2HG GLN 104 -6.191 9.215 -10.788 774 HE21 GLN 104 1HE2 GLN 104 -8.620 7.217 -11.836 775 HE22 GLN 104 2HE2 GLN 104 -7.853 5.676 -11.534 776 H ARG 105 H ARG 105 -9.819 11.127 -8.854 777 HA ARG 105 HA ARG 105 -10.365 11.438 -6.170 778 HB2 ARG 105 1HB ARG 105 -10.904 13.918 -6.052 779 HB3 ARG 105 2HB ARG 105 -9.265 13.427 -5.913 780 HG2 ARG 105 1HG ARG 105 -9.503 13.892 -8.610 781 HG3 ARG 105 2HG ARG 105 -10.496 15.164 -7.921 782 HD2 ARG 105 1HD ARG 105 -8.560 15.972 -6.636 783 HD3 ARG 105 2HD ARG 105 -7.614 14.538 -7.101 784 HE ARG 105 HE ARG 105 -8.369 16.837 -8.796 785 HH11 ARG 105 1HH1 ARG 105 -6.720 13.714 -8.768 786 HH12 ARG 105 2HH1 ARG 105 -6.901 13.488 -10.490 787 HH21 ARG 105 1HH2 ARG 105 -8.554 16.527 -10.953 788 HH22 ARG 105 2HH2 ARG 105 -7.916 15.118 -11.741 789 H ARG 106 H ARG 106 -12.655 12.506 -5.893 790 HA ARG 106 HA ARG 106 -14.383 11.544 -8.112 791 HB2 ARG 106 1HB ARG 106 -14.873 12.621 -5.313 792 HB3 ARG 106 2HB ARG 106 -16.165 12.633 -6.548 793 HG2 ARG 106 1HG ARG 106 -15.872 10.250 -6.933 794 HG3 ARG 106 2HG ARG 106 -14.635 10.151 -5.655 795 HD2 ARG 106 1HD ARG 106 -16.161 10.399 -3.933 796 HD3 ARG 106 2HD ARG 106 -17.203 11.431 -4.898 797 HE ARG 106 HE ARG 106 -18.431 9.735 -5.589 798 HH11 ARG 106 1HH1 ARG 106 -15.620 8.348 -4.038 799 HH12 ARG 106 2HH1 ARG 106 -16.089 6.692 -4.208 800 HH21 ARG 106 1HH2 ARG 106 -19.203 7.608 -5.796 801 HH22 ARG 106 2HH2 ARG 106 -18.247 6.232 -5.331 802 H GLU 107 H GLU 107 -15.054 12.750 -9.695 803 HA GLU 107 HA GLU 107 -15.578 15.575 -9.418 804 HB2 GLU 107 1HB GLU 107 -13.168 15.586 -9.930 805 HB3 GLU 107 2HB GLU 107 -13.428 14.506 -11.312 806 HG2 GLU 107 1HG GLU 107 -14.828 16.276 -12.433 807 HG3 GLU 107 2HG GLU 107 -14.544 17.349 -11.029 808 H TYR 108 H TYR 108 -17.727 14.709 -9.862 809 HA TYR 108 HA TYR 108 -18.169 14.012 -12.668 810 HB2 TYR 108 1HB TYR 108 -19.810 12.494 -11.933 811 HB3 TYR 108 2HB TYR 108 -18.136 12.002 -11.981 812 HD1 TYR 108 2HD TYR 108 -19.992 13.962 -9.778 813 HD2 TYR 108 1HD TYR 108 -17.766 10.506 -10.189 814 HE1 TYR 108 2HE TYR 108 -20.531 13.421 -7.270 815 HE2 TYR 108 1HE TYR 108 -18.170 9.809 -7.816 816 HH TYR 108 HH TYR 108 -20.620 11.343 -5.926 817 H PHE 109 H PHE 109 -18.331 16.494 -11.728 818 HA PHE 109 HA PHE 109 -20.799 17.400 -10.823 819 HB2 PHE 109 1HB PHE 109 -18.474 18.629 -11.252 820 HB3 PHE 109 2HB PHE 109 -19.298 19.177 -12.728 821 HD1 PHE 109 1HD PHE 109 -19.439 19.036 -9.023 822 HD2 PHE 109 2HD PHE 109 -21.091 20.862 -12.558 823 HE1 PHE 109 1HE PHE 109 -20.605 20.710 -7.602 824 HE2 PHE 109 2HE PHE 109 -22.222 22.563 -11.156 825 HZ PHE 109 HZ PHE 109 -21.974 22.496 -8.670 Start of MODEL 5 1 H1 GLY 1 H GLY 1 11.521 15.855 -3.278 2 HA2 GLY 1 1HA GLY 1 13.350 14.301 -3.714 3 HA3 GLY 1 2HA GLY 1 12.346 13.014 -3.035 4 H MET 2 H MET 2 12.965 14.977 -5.890 5 HA MET 2 HA MET 2 10.994 13.624 -7.588 6 HB2 MET 2 1HB MET 2 12.288 15.829 -8.080 7 HB3 MET 2 2HB MET 2 13.695 14.803 -8.352 8 HG2 MET 2 1HG MET 2 12.966 14.928 -10.495 9 HG3 MET 2 2HG MET 2 12.006 13.537 -10.007 10 HE1 MET 2 3HE MET 2 10.003 13.678 -11.693 11 HE2 MET 2 1HE MET 2 9.533 15.237 -12.401 12 HE3 MET 2 2HE MET 2 11.225 14.693 -12.492 13 H SER 3 H SER 3 14.246 13.119 -6.314 14 HA SER 3 HA SER 3 14.248 10.279 -7.032 15 HB2 SER 3 1HB SER 3 16.354 12.410 -7.599 16 HB3 SER 3 2HB SER 3 16.856 10.761 -7.231 17 HG SER 3 HG SER 3 15.570 11.789 -9.469 18 H ALA 4 H ALA 4 15.930 9.224 -5.630 19 HA ALA 4 HA ALA 4 16.956 8.669 -3.756 20 HB1 ALA 4 1HB ALA 4 17.605 10.216 -2.022 21 HB2 ALA 4 2HB ALA 4 17.874 10.975 -3.597 22 HB3 ALA 4 3HB ALA 4 16.469 11.435 -2.597 23 H ASP 5 H ASP 5 16.444 8.759 -1.210 24 HA ASP 5 HA ASP 5 13.964 7.322 -0.909 25 HB2 ASP 5 1HB ASP 5 14.659 7.080 1.422 26 HB3 ASP 5 2HB ASP 5 16.013 6.763 0.347 27 H GLY 6 H GLY 6 12.437 7.856 0.927 28 HA2 GLY 6 1HA GLY 6 12.061 10.725 1.450 29 HA3 GLY 6 2HA GLY 6 10.821 9.842 0.521 30 H SER 7 H SER 7 10.130 11.090 2.668 31 HA SER 7 HA SER 7 9.447 9.103 4.751 32 HB2 SER 7 1HB SER 7 11.688 10.067 5.224 33 HB3 SER 7 2HB SER 7 10.979 11.692 5.217 34 HG SER 7 HG SER 7 9.623 10.892 6.968 35 H GLU 8 H GLU 8 8.381 11.490 2.656 36 HA GLU 8 HA GLU 8 6.435 12.908 4.382 37 HB2 GLU 8 1HB GLU 8 6.963 12.602 1.392 38 HB3 GLU 8 2HB GLU 8 5.574 13.482 1.999 39 HG2 GLU 8 1HG GLU 8 6.807 15.296 2.634 40 HG3 GLU 8 2HG GLU 8 8.089 14.337 3.285 41 H TYR 9 H TYR 9 6.639 9.695 3.300 42 HA TYR 9 HA TYR 9 4.005 9.381 2.293 43 HB2 TYR 9 1HB TYR 9 5.557 7.196 3.658 44 HB3 TYR 9 2HB TYR 9 4.450 7.046 2.314 45 HD1 TYR 9 1HD TYR 9 5.714 9.424 0.593 46 HD2 TYR 9 2HD TYR 9 7.397 6.121 2.764 47 HE1 TYR 9 1HE TYR 9 7.729 9.492 -0.844 48 HE2 TYR 9 2HE TYR 9 9.377 6.155 1.331 49 HH TYR 9 HH TYR 9 10.444 7.186 -0.441 50 H GLY 10 H GLY 10 5.278 9.223 5.621 51 HA2 GLY 10 1HA GLY 10 2.863 8.182 6.806 52 HA3 GLY 10 2HA GLY 10 4.271 8.903 7.620 53 H ARG 11 H ARG 11 3.290 11.192 5.316 54 HA ARG 11 HA ARG 11 1.513 12.599 7.194 55 HB2 ARG 11 1HB ARG 11 3.036 13.314 4.667 56 HB3 ARG 11 2HB ARG 11 1.638 14.244 5.091 57 HG2 ARG 11 1HG ARG 11 2.493 15.050 6.964 58 HG3 ARG 11 2HG ARG 11 3.574 13.690 7.286 59 HD2 ARG 11 1HD ARG 11 5.129 14.522 5.570 60 HD3 ARG 11 2HD ARG 11 4.017 15.851 5.218 61 HE ARG 11 HE ARG 11 5.087 17.057 6.761 62 HH11 ARG 11 1HH1 ARG 11 4.771 13.971 8.525 63 HH12 ARG 11 2HH1 ARG 11 6.083 14.342 9.564 64 HH21 ARG 11 1HH2 ARG 11 6.807 17.508 8.189 65 HH22 ARG 11 2HH2 ARG 11 7.205 16.403 9.428 66 H TYR 12 H TYR 12 1.327 10.345 4.565 67 HA TYR 12 HA TYR 12 -1.512 11.032 4.060 68 HB2 TYR 12 1HB TYR 12 0.347 9.418 2.314 69 HB3 TYR 12 2HB TYR 12 -1.166 10.155 1.867 70 HD1 TYR 12 2HD TYR 12 -0.383 12.941 3.252 71 HD2 TYR 12 1HD TYR 12 1.577 10.301 0.512 72 HE1 TYR 12 2HE TYR 12 0.972 14.807 2.521 73 HE2 TYR 12 1HE TYR 12 2.893 12.233 -0.406 74 HH TYR 12 HH TYR 12 2.269 15.560 0.661 75 H PHE 13 H PHE 13 0.748 8.323 4.599 76 HA PHE 13 HA PHE 13 -1.535 6.469 5.031 77 HB2 PHE 13 1HB PHE 13 1.465 5.999 5.018 78 HB3 PHE 13 2HB PHE 13 0.232 4.759 5.156 79 HD1 PHE 13 2HD PHE 13 -1.661 4.915 3.180 80 HD2 PHE 13 1HD PHE 13 2.418 6.267 2.879 81 HE1 PHE 13 2HE PHE 13 -1.764 4.682 0.718 82 HE2 PHE 13 1HE PHE 13 2.301 6.044 0.404 83 HZ PHE 13 HZ PHE 13 0.221 5.227 -0.671 84 H GLU 14 H GLU 14 -1.548 5.235 7.131 85 HA GLU 14 HA GLU 14 -0.034 6.470 9.313 86 HB2 GLU 14 1HB GLU 14 -2.147 7.813 8.639 87 HB3 GLU 14 2HB GLU 14 -3.071 6.539 9.423 88 HG2 GLU 14 1HG GLU 14 -1.877 7.084 11.529 89 HG3 GLU 14 2HG GLU 14 -0.899 8.273 10.673 90 H GLN 15 H GLN 15 -0.551 5.387 11.301 91 HA GLN 15 HA GLN 15 -0.013 2.653 10.794 92 HB2 GLN 15 1HB GLN 15 0.059 2.278 13.131 93 HB3 GLN 15 2HB GLN 15 0.991 3.706 12.624 94 HG2 GLN 15 1HG GLN 15 -1.656 4.490 13.532 95 HG3 GLN 15 2HG GLN 15 -0.952 3.367 14.703 96 HE21 GLN 15 1HE2 GLN 15 -1.327 6.543 14.213 97 HE22 GLN 15 2HE2 GLN 15 0.103 7.141 15.039 98 H LEU 16 H LEU 16 -3.128 3.978 11.500 99 HA LEU 16 HA LEU 16 -4.248 1.205 11.632 100 HB2 LEU 16 1HB LEU 16 -5.388 3.732 12.919 101 HB3 LEU 16 2HB LEU 16 -6.034 2.111 13.038 102 HG LEU 16 HG LEU 16 -3.422 3.063 14.249 103 HD11 LEU 16 1HD1 LEU 16 -6.084 2.288 15.489 104 HD12 LEU 16 2HD1 LEU 16 -5.402 3.926 15.383 105 HD13 LEU 16 3HD1 LEU 16 -4.587 2.708 16.368 106 HD21 LEU 16 3HD2 LEU 16 -3.339 0.886 15.365 107 HD22 LEU 16 1HD2 LEU 16 -3.246 0.690 13.623 108 HD23 LEU 16 2HD2 LEU 16 -4.781 0.343 14.443 109 H GLN 17 H GLN 17 -3.591 3.300 9.496 110 HA GLN 17 HA GLN 17 -6.264 4.049 8.445 111 HB2 GLN 17 1HB GLN 17 -3.675 4.992 7.939 112 HB3 GLN 17 2HB GLN 17 -4.199 4.268 6.420 113 HG2 GLN 17 1HG GLN 17 -6.237 5.680 6.495 114 HG3 GLN 17 2HG GLN 17 -5.756 6.315 8.067 115 HE21 GLN 17 1HE2 GLN 17 -4.499 6.023 4.648 116 HE22 GLN 17 2HE2 GLN 17 -3.666 7.557 4.754 117 H LYS 18 H LYS 18 -6.296 3.486 5.799 118 HA LYS 18 HA LYS 18 -5.953 0.549 5.503 119 HB2 LYS 18 1HB LYS 18 -8.330 2.317 4.754 120 HB3 LYS 18 2HB LYS 18 -7.955 0.885 3.832 121 HG2 LYS 18 1HG LYS 18 -9.502 0.004 5.186 122 HG3 LYS 18 2HG LYS 18 -8.001 -0.482 6.000 123 HD2 LYS 18 1HD LYS 18 -9.625 0.251 7.636 124 HD3 LYS 18 2HD LYS 18 -8.312 1.440 7.593 125 HE2 LYS 18 1HE LYS 18 -9.646 2.998 6.363 126 HE3 LYS 18 2HE LYS 18 -10.870 1.779 5.963 127 HZ1 LYS 18 3HZ LYS 18 -11.540 1.757 8.228 128 HZ2 LYS 18 1HZ LYS 18 -11.438 3.364 7.820 129 HZ3 LYS 18 2HZ LYS 18 -10.278 2.640 8.727 130 H VAL 19 H VAL 19 -5.616 -0.138 3.268 131 HA VAL 19 HA VAL 19 -5.201 1.944 1.254 132 HB VAL 19 HB VAL 19 -3.015 1.057 0.553 133 HG11 VAL 19 1HG1 VAL 19 -3.161 3.132 1.868 134 HG12 VAL 19 2HG1 VAL 19 -2.910 2.210 3.359 135 HG13 VAL 19 3HG1 VAL 19 -1.636 2.266 2.108 136 HG21 VAL 19 3HG2 VAL 19 -2.955 -0.320 3.270 137 HG22 VAL 19 1HG2 VAL 19 -3.029 -1.143 1.708 138 HG23 VAL 19 2HG2 VAL 19 -1.590 -0.204 2.137 139 H ASN 20 H ASN 20 -5.308 1.101 -0.905 140 HA ASN 20 HA ASN 20 -6.336 -1.501 -1.464 141 HB2 ASN 20 1HB ASN 20 -6.600 0.712 -2.783 142 HB3 ASN 20 2HB ASN 20 -4.914 0.576 -3.193 143 HD21 ASN 20 1HD2 ASN 20 -7.046 -2.381 -3.076 144 HD22 ASN 20 2HD2 ASN 20 -7.094 -2.502 -4.791 145 H LEU 21 H LEU 21 -4.956 -2.929 -3.064 146 HA LEU 21 HA LEU 21 -2.251 -3.245 -1.857 147 HB2 LEU 21 1HB LEU 21 -4.528 -5.267 -2.114 148 HB3 LEU 21 2HB LEU 21 -2.937 -5.688 -1.526 149 HG LEU 21 HG LEU 21 -4.877 -3.834 -0.116 150 HD11 LEU 21 1HD1 LEU 21 -5.485 -6.238 -0.100 151 HD12 LEU 21 2HD1 LEU 21 -4.947 -5.694 1.490 152 HD13 LEU 21 3HD1 LEU 21 -3.858 -6.652 0.481 153 HD21 LEU 21 3HD2 LEU 21 -2.118 -4.828 0.729 154 HD22 LEU 21 1HD2 LEU 21 -3.267 -3.926 1.741 155 HD23 LEU 21 2HD2 LEU 21 -2.539 -3.143 0.342 156 H THR 22 H THR 22 -3.256 -2.830 -4.694 157 HA THR 22 HA THR 22 -3.540 -5.086 -6.143 158 HB THR 22 HB THR 22 -2.289 -2.559 -7.260 159 HG1 THR 22 1HG THR 22 -4.395 -1.767 -7.227 160 HG21 THR 22 3HG2 THR 22 -3.619 -3.082 -9.246 161 HG22 THR 22 1HG2 THR 22 -4.292 -4.533 -8.467 162 HG23 THR 22 2HG2 THR 22 -2.570 -4.457 -8.880 163 H VAL 23 H VAL 23 -2.288 -6.837 -6.346 164 HA VAL 23 HA VAL 23 0.678 -6.557 -6.366 165 HB VAL 23 HB VAL 23 -1.051 -9.064 -6.236 166 HG11 VAL 23 1HG1 VAL 23 1.258 -9.485 -6.996 167 HG12 VAL 23 2HG1 VAL 23 1.902 -8.630 -5.588 168 HG13 VAL 23 3HG1 VAL 23 1.013 -10.158 -5.392 169 HG21 VAL 23 3HG2 VAL 23 -1.397 -7.665 -4.172 170 HG22 VAL 23 1HG2 VAL 23 -0.705 -9.260 -3.898 171 HG23 VAL 23 2HG2 VAL 23 0.338 -7.832 -3.840 172 H ARG 24 H ARG 24 1.784 -6.853 -8.294 173 HA ARG 24 HA ARG 24 0.364 -7.738 -10.738 174 HB2 ARG 24 1HB ARG 24 2.051 -6.040 -10.944 175 HB3 ARG 24 2HB ARG 24 3.249 -6.989 -10.056 176 HG2 ARG 24 1HG ARG 24 3.128 -8.689 -11.920 177 HG3 ARG 24 2HG ARG 24 2.093 -7.554 -12.811 178 HD2 ARG 24 1HD ARG 24 4.003 -5.856 -12.583 179 HD3 ARG 24 2HD ARG 24 4.976 -7.148 -11.889 180 HE ARG 24 HE ARG 24 5.158 -8.190 -13.934 181 HH11 ARG 24 1HH1 ARG 24 2.787 -5.520 -14.184 182 HH12 ARG 24 2HH1 ARG 24 2.689 -5.549 -15.891 183 HH21 ARG 24 1HH2 ARG 24 4.951 -8.266 -16.343 184 HH22 ARG 24 2HH2 ARG 24 4.099 -6.977 -17.114 185 H LEU 25 H LEU 25 0.044 -9.983 -10.950 186 HA LEU 25 HA LEU 25 2.061 -11.817 -9.793 187 HB2 LEU 25 1HB LEU 25 -0.784 -12.242 -10.673 188 HB3 LEU 25 2HB LEU 25 0.361 -13.519 -10.274 189 HG LEU 25 HG LEU 25 -0.895 -13.209 -8.501 190 HD11 LEU 25 1HD1 LEU 25 1.571 -11.638 -7.666 191 HD12 LEU 25 2HD1 LEU 25 1.511 -13.407 -7.805 192 HD13 LEU 25 3HD1 LEU 25 0.527 -12.558 -6.599 193 HD21 LEU 25 3HD2 LEU 25 -2.103 -11.471 -8.501 194 HD22 LEU 25 1HD2 LEU 25 -0.725 -10.305 -8.370 195 HD23 LEU 25 2HD2 LEU 25 -1.235 -11.323 -7.004 196 H GLY 26 H GLY 26 3.342 -10.749 -11.647 197 HA2 GLY 26 1HA GLY 26 4.546 -11.452 -13.535 198 HA3 GLY 26 2HA GLY 26 3.342 -12.715 -13.839 199 H ASP 27 H ASP 27 3.550 -11.995 -16.046 200 HA ASP 27 HA ASP 27 2.935 -9.250 -16.806 201 HB2 ASP 27 1HB ASP 27 3.403 -11.707 -18.525 202 HB3 ASP 27 2HB ASP 27 3.452 -10.021 -19.062 203 H THR 28 H THR 28 1.123 -12.052 -16.214 204 HA THR 28 HA THR 28 -1.157 -11.159 -17.901 205 HB THR 28 HB THR 28 -1.517 -13.664 -18.206 206 HG1 THR 28 1HG THR 28 0.094 -14.186 -16.502 207 HG21 THR 28 3HG2 THR 28 1.032 -12.506 -19.383 208 HG22 THR 28 1HG2 THR 28 -0.621 -12.156 -19.936 209 HG23 THR 28 2HG2 THR 28 0.025 -13.799 -20.063 210 H GLY 29 H GLY 29 -0.562 -11.075 -14.701 211 HA2 GLY 29 1HA GLY 29 -3.333 -11.749 -14.082 212 HA3 GLY 29 2HA GLY 29 -2.115 -12.789 -13.304 213 H SER 30 H SER 30 -3.945 -11.148 -11.868 214 HA SER 30 HA SER 30 -2.001 -10.086 -10.135 215 HB2 SER 30 1HB SER 30 -3.435 -7.789 -10.041 216 HB3 SER 30 2HB SER 30 -2.019 -7.940 -11.032 217 HG SER 30 HG SER 30 -4.443 -7.325 -11.688 218 H PHE 31 H PHE 31 -3.039 -9.011 -8.233 219 HA PHE 31 HA PHE 31 -5.656 -10.136 -7.456 220 HB2 PHE 31 1HB PHE 31 -3.890 -11.565 -6.377 221 HB3 PHE 31 2HB PHE 31 -2.995 -10.171 -5.910 222 HD1 PHE 31 1HD PHE 31 -6.495 -11.555 -5.463 223 HD2 PHE 31 2HD PHE 31 -3.301 -9.183 -3.795 224 HE1 PHE 31 1HE PHE 31 -7.865 -11.106 -3.455 225 HE2 PHE 31 2HE PHE 31 -4.679 -8.752 -1.776 226 HZ PHE 31 HZ PHE 31 -6.967 -9.706 -1.608 227 H ASP 32 H ASP 32 -6.785 -8.451 -6.191 228 HA ASP 32 HA ASP 32 -5.142 -6.382 -5.059 229 HB2 ASP 32 1HB ASP 32 -5.774 -4.806 -6.365 230 HB3 ASP 32 2HB ASP 32 -6.492 -5.913 -7.480 231 H GLY 33 H GLY 33 -6.318 -5.246 -3.387 232 HA2 GLY 33 1HA GLY 33 -8.915 -6.121 -2.489 233 HA3 GLY 33 2HA GLY 33 -7.640 -6.940 -1.572 234 H THR 34 H THR 34 -8.667 -5.698 0.249 235 HA THR 34 HA THR 34 -7.288 -3.073 0.506 236 HB THR 34 HB THR 34 -9.625 -3.546 2.290 237 HG1 THR 34 1HG THR 34 -10.613 -4.145 0.384 238 HG21 THR 34 3HG2 THR 34 -8.646 -1.144 0.681 239 HG22 THR 34 1HG2 THR 34 -8.271 -1.484 2.384 240 HG23 THR 34 2HG2 THR 34 -9.924 -1.110 1.909 241 H ALA 35 H ALA 35 -6.364 -2.713 2.641 242 HA ALA 35 HA ALA 35 -6.838 -4.786 4.669 243 HB1 ALA 35 1HB ALA 35 -4.660 -5.499 3.629 244 HB2 ALA 35 2HB ALA 35 -4.047 -3.870 3.840 245 HB3 ALA 35 3HB ALA 35 -4.414 -4.855 5.259 246 H ALA 36 H ALA 36 -6.249 -4.000 6.826 247 HA ALA 36 HA ALA 36 -6.179 -1.061 7.101 248 HB1 ALA 36 1HB ALA 36 -7.775 -2.239 8.541 249 HB2 ALA 36 2HB ALA 36 -6.482 -3.329 9.107 250 HB3 ALA 36 3HB ALA 36 -6.422 -1.597 9.512 251 H ILE 37 H ILE 37 -4.405 -0.161 8.048 252 HA ILE 37 HA ILE 37 -1.838 -1.517 7.989 253 HB ILE 37 HB ILE 37 -2.631 1.328 8.716 254 HG12 ILE 37 1HG1 ILE 37 -1.273 0.190 6.252 255 HG13 ILE 37 2HG1 ILE 37 -2.950 0.735 6.281 256 HG21 ILE 37 1HG2 ILE 37 -0.223 1.876 8.617 257 HG22 ILE 37 2HG2 ILE 37 -0.430 0.606 9.772 258 HG23 ILE 37 3HG2 ILE 37 0.174 0.215 8.159 259 HD11 ILE 37 3HD1 ILE 37 -1.441 2.290 5.129 260 HD12 ILE 37 1HD1 ILE 37 -2.222 3.051 6.519 261 HD13 ILE 37 2HD1 ILE 37 -0.514 2.551 6.593 262 H THR 38 H THR 38 -0.610 -1.850 9.815 263 HA THR 38 HA THR 38 -2.025 -1.772 12.432 264 HB THR 38 HB THR 38 -0.950 -3.934 12.914 265 HG1 THR 38 1HG THR 38 0.070 -4.931 10.879 266 HG21 THR 38 3HG2 THR 38 -2.167 -4.208 10.129 267 HG22 THR 38 1HG2 THR 38 -3.124 -3.902 11.588 268 HG23 THR 38 2HG2 THR 38 -2.164 -5.389 11.455 269 H SER 39 H SER 39 0.817 -0.950 10.687 270 HA SER 39 HA SER 39 1.792 0.687 12.836 271 HB2 SER 39 1HB SER 39 3.253 -1.873 12.070 272 HB3 SER 39 2HB SER 39 4.163 -0.453 12.581 273 HG SER 39 HG SER 39 2.024 -1.614 14.057 274 H LEU 40 H LEU 40 3.458 2.159 12.039 275 HA LEU 40 HA LEU 40 4.135 1.996 9.142 276 HB2 LEU 40 1HB LEU 40 2.142 3.439 9.446 277 HB3 LEU 40 2HB LEU 40 3.004 4.322 10.683 278 HG LEU 40 HG LEU 40 4.762 4.620 8.561 279 HD11 LEU 40 1HD1 LEU 40 1.945 4.577 7.397 280 HD12 LEU 40 2HD1 LEU 40 3.300 3.492 6.994 281 HD13 LEU 40 3HD1 LEU 40 3.389 5.214 6.586 282 HD21 LEU 40 3HD2 LEU 40 3.981 6.852 8.377 283 HD22 LEU 40 1HD2 LEU 40 3.898 6.394 10.075 284 HD23 LEU 40 2HD2 LEU 40 2.406 6.456 9.101 285 H LYS 41 H LYS 41 6.235 2.523 8.779 286 HA LYS 41 HA LYS 41 7.732 4.233 10.669 287 HB2 LYS 41 1HB LYS 41 8.068 1.939 11.458 288 HB3 LYS 41 2HB LYS 41 8.840 1.502 9.935 289 HG2 LYS 41 1HG LYS 41 9.912 3.950 11.280 290 HG3 LYS 41 2HG LYS 41 10.038 2.493 12.247 291 HD2 LYS 41 1HD LYS 41 10.995 1.890 9.572 292 HD3 LYS 41 2HD LYS 41 11.765 3.371 10.125 293 HE2 LYS 41 1HE LYS 41 11.603 0.893 11.858 294 HE3 LYS 41 2HE LYS 41 12.878 1.098 10.658 295 HZ1 LYS 41 3HZ LYS 41 13.588 3.092 11.794 296 HZ2 LYS 41 1HZ LYS 41 13.592 1.827 12.825 297 HZ3 LYS 41 2HZ LYS 41 12.376 2.989 12.873 298 H GLY 42 H GLY 42 7.107 5.538 8.695 299 HA2 GLY 42 1HA GLY 42 8.163 7.029 7.379 300 HA3 GLY 42 2HA GLY 42 9.647 6.085 7.501 301 H SER 43 H SER 43 9.846 4.275 5.999 302 HA SER 43 HA SER 43 8.118 4.403 3.582 303 HB2 SER 43 1HB SER 43 10.009 3.686 2.217 304 HB3 SER 43 2HB SER 43 10.239 5.299 2.928 305 HG SER 43 HG SER 43 12.098 4.076 3.011 306 H LEU 44 H LEU 44 7.194 3.117 5.567 307 HA LEU 44 HA LEU 44 7.330 0.341 4.883 308 HB2 LEU 44 1HB LEU 44 9.407 0.776 6.348 309 HB3 LEU 44 2HB LEU 44 8.291 0.968 7.691 310 HG LEU 44 HG LEU 44 9.311 -1.208 7.564 311 HD11 LEU 44 1HD1 LEU 44 7.583 -2.639 8.010 312 HD12 LEU 44 2HD1 LEU 44 6.447 -1.793 6.977 313 HD13 LEU 44 3HD1 LEU 44 7.000 -1.031 8.501 314 HD21 LEU 44 3HD2 LEU 44 9.022 -2.838 5.864 315 HD22 LEU 44 1HD2 LEU 44 9.610 -1.357 5.100 316 HD23 LEU 44 2HD2 LEU 44 7.895 -1.812 4.967 317 H ALA 45 H ALA 45 5.422 -0.542 5.462 318 HA ALA 45 HA ALA 45 3.821 0.497 7.712 319 HB1 ALA 45 1HB ALA 45 1.705 0.351 6.406 320 HB2 ALA 45 2HB ALA 45 2.743 1.655 5.833 321 HB3 ALA 45 3HB ALA 45 2.637 0.131 4.917 322 H TRP 46 H TRP 46 2.402 -1.255 8.452 323 HA TRP 46 HA TRP 46 2.874 -3.939 7.220 324 HB2 TRP 46 1HB TRP 46 2.918 -3.240 10.132 325 HB3 TRP 46 2HB TRP 46 2.210 -4.770 9.618 326 HD1 TRP 46 HD TRP 46 5.544 -2.911 9.364 327 HE1 TRP 46 1HE TRP 46 7.432 -4.588 8.910 328 HE3 TRP 46 3HE TRP 46 2.760 -7.222 8.862 329 HZ2 TRP 46 2HZ TRP 46 7.701 -7.378 8.379 330 HZ3 TRP 46 3HZ TRP 46 3.880 -9.323 8.276 331 HH2 TRP 46 HH TRP 46 6.352 -9.433 8.050 332 H LEU 47 H LEU 47 1.056 -5.292 7.095 333 HA LEU 47 HA LEU 47 -1.576 -3.963 7.394 334 HB2 LEU 47 1HB LEU 47 -0.377 -5.342 4.956 335 HB3 LEU 47 2HB LEU 47 -2.051 -4.837 5.065 336 HG LEU 47 HG LEU 47 0.200 -2.820 5.334 337 HD11 LEU 47 1HD1 LEU 47 0.458 -3.968 3.157 338 HD12 LEU 47 2HD1 LEU 47 -0.049 -2.294 2.972 339 HD13 LEU 47 3HD1 LEU 47 -1.232 -3.616 2.773 340 HD21 LEU 47 3HD2 LEU 47 -1.369 -1.211 4.666 341 HD22 LEU 47 1HD2 LEU 47 -1.976 -2.092 6.070 342 HD23 LEU 47 2HD2 LEU 47 -2.653 -2.417 4.469 343 H GLU 48 H GLU 48 -3.381 -5.551 7.102 344 HA GLU 48 HA GLU 48 -2.738 -8.372 7.781 345 HB2 GLU 48 1HB GLU 48 -4.200 -8.213 9.774 346 HB3 GLU 48 2HB GLU 48 -2.883 -7.059 9.917 347 HG2 GLU 48 1HG GLU 48 -4.329 -5.212 9.421 348 HG3 GLU 48 2HG GLU 48 -5.582 -6.261 8.795 349 H LEU 49 H LEU 49 -3.947 -7.163 5.467 350 HA LEU 49 HA LEU 49 -5.809 -7.140 4.150 351 HB2 LEU 49 1HB LEU 49 -5.605 -9.880 5.229 352 HB3 LEU 49 2HB LEU 49 -7.182 -9.474 4.588 353 HG LEU 49 HG LEU 49 -4.508 -9.368 3.194 354 HD11 LEU 49 1HD1 LEU 49 -5.460 -11.210 1.811 355 HD12 LEU 49 2HD1 LEU 49 -7.012 -11.083 2.652 356 HD13 LEU 49 3HD1 LEU 49 -5.562 -11.655 3.504 357 HD21 LEU 49 3HD2 LEU 49 -5.851 -8.983 1.058 358 HD22 LEU 49 1HD2 LEU 49 -5.904 -7.616 2.147 359 HD23 LEU 49 2HD2 LEU 49 -7.298 -8.705 2.056 360 H PHE 50 H PHE 50 -8.127 -7.028 3.883 361 HA PHE 50 HA PHE 50 -9.524 -6.158 6.341 362 HB2 PHE 50 1HB PHE 50 -9.806 -5.664 3.510 363 HB3 PHE 50 2HB PHE 50 -11.279 -6.438 4.055 364 HD1 PHE 50 1HD PHE 50 -8.952 -3.988 5.741 365 HD2 PHE 50 2HD PHE 50 -12.925 -4.787 4.276 366 HE1 PHE 50 1HE PHE 50 -9.731 -1.916 6.757 367 HE2 PHE 50 2HE PHE 50 -13.687 -2.641 5.242 368 HZ PHE 50 HZ PHE 50 -12.119 -1.191 6.499 369 H GLY 51 H GLY 51 -10.207 -8.630 3.762 370 HA2 GLY 51 1HA GLY 51 -10.373 -10.956 5.120 371 HA3 GLY 51 2HA GLY 51 -11.853 -10.102 5.608 372 H ALA 52 H ALA 52 -12.564 -12.101 4.469 373 HA ALA 52 HA ALA 52 -13.452 -13.354 2.926 374 HB1 ALA 52 1HB ALA 52 -15.112 -11.610 3.126 375 HB2 ALA 52 2HB ALA 52 -14.345 -10.694 1.805 376 HB3 ALA 52 3HB ALA 52 -15.094 -12.271 1.480 377 H GLU 53 H GLU 53 -12.059 -10.717 0.982 378 HA GLU 53 HA GLU 53 -11.173 -12.499 -1.185 379 HB2 GLU 53 1HB GLU 53 -10.160 -9.717 -0.473 380 HB3 GLU 53 2HB GLU 53 -9.880 -10.604 -1.953 381 HG2 GLU 53 1HG GLU 53 -11.464 -9.163 -2.681 382 HG3 GLU 53 2HG GLU 53 -12.496 -10.511 -2.229 383 H GLN 54 H GLN 54 -8.978 -13.115 -1.471 384 HA GLN 54 HA GLN 54 -6.848 -11.986 -0.082 385 HB2 GLN 54 1HB GLN 54 -5.910 -14.027 1.002 386 HB3 GLN 54 2HB GLN 54 -7.417 -13.510 1.717 387 HG2 GLN 54 1HG GLN 54 -8.627 -15.314 0.602 388 HG3 GLN 54 2HG GLN 54 -7.159 -15.767 -0.290 389 HE21 GLN 54 1HE2 GLN 54 -8.157 -15.194 3.174 390 HE22 GLN 54 2HE2 GLN 54 -7.307 -16.662 3.722 391 HA PRO 55 HA PRO 55 -5.043 -13.559 -3.843 392 HB2 PRO 55 1HB PRO 55 -2.379 -13.937 -3.147 393 HB3 PRO 55 2HB PRO 55 -3.132 -12.340 -3.448 394 HG2 PRO 55 1HG PRO 55 -2.600 -13.730 -0.817 395 HG3 PRO 55 2HG PRO 55 -2.331 -12.008 -1.256 396 HD2 PRO 55 1HD PRO 55 -4.501 -12.834 0.130 397 HD3 PRO 55 2HD PRO 55 -4.588 -11.483 -1.025 398 HA PRO 56 HA PRO 56 -4.694 -18.032 -3.375 399 HB2 PRO 56 1HB PRO 56 -2.551 -18.568 -5.200 400 HB3 PRO 56 2HB PRO 56 -4.300 -18.664 -5.525 401 HG2 PRO 56 1HG PRO 56 -2.439 -16.734 -6.548 402 HG3 PRO 56 2HG PRO 56 -4.175 -16.789 -6.828 403 HD2 PRO 56 1HD PRO 56 -2.657 -15.064 -5.011 404 HD3 PRO 56 2HD PRO 56 -4.330 -14.879 -5.594 405 HA PRO 57 HA PRO 57 -1.218 -18.611 -0.632 406 HB2 PRO 57 1HB PRO 57 -0.763 -21.309 -0.679 407 HB3 PRO 57 2HB PRO 57 -2.220 -20.585 0.071 408 HG2 PRO 57 1HG PRO 57 -1.955 -21.760 -2.712 409 HG3 PRO 57 2HG PRO 57 -3.222 -22.097 -1.491 410 HD2 PRO 57 1HD PRO 57 -3.573 -20.287 -3.509 411 HD3 PRO 57 2HD PRO 57 -4.267 -20.001 -1.885 412 H ASN 58 H ASN 58 1.083 -19.061 -0.653 413 HA ASN 58 HA ASN 58 3.157 -18.891 -1.572 414 HB2 ASN 58 1HB ASN 58 2.065 -21.021 -3.421 415 HB3 ASN 58 2HB ASN 58 3.769 -20.576 -3.288 416 HD21 ASN 58 1HD2 ASN 58 3.088 -23.172 -2.985 417 HD22 ASN 58 2HD2 ASN 58 3.443 -23.643 -1.334 418 H THR 59 H THR 59 1.082 -17.015 -2.604 419 HA THR 59 HA THR 59 2.402 -16.273 -5.164 420 HB THR 59 HB THR 59 -0.565 -16.105 -4.536 421 HG1 THR 59 1HG THR 59 0.041 -18.264 -4.769 422 HG21 THR 59 3HG2 THR 59 -0.203 -14.524 -6.172 423 HG22 THR 59 1HG2 THR 59 -0.600 -15.914 -7.143 424 HG23 THR 59 2HG2 THR 59 1.095 -15.463 -6.969 425 H LEU 60 H LEU 60 2.016 -15.352 -2.040 426 HA LEU 60 HA LEU 60 2.632 -12.530 -2.711 427 HB2 LEU 60 1HB LEU 60 1.483 -13.799 -0.187 428 HB3 LEU 60 2HB LEU 60 2.509 -12.399 -0.095 429 HG LEU 60 HG LEU 60 -0.147 -12.586 -1.416 430 HD11 LEU 60 1HD1 LEU 60 0.897 -10.691 0.697 431 HD12 LEU 60 2HD1 LEU 60 0.042 -12.187 1.084 432 HD13 LEU 60 3HD1 LEU 60 -0.788 -10.895 0.198 433 HD21 LEU 60 3HD2 LEU 60 1.837 -10.272 -1.553 434 HD22 LEU 60 1HD2 LEU 60 0.112 -10.090 -1.896 435 HD23 LEU 60 2HD2 LEU 60 1.109 -11.102 -2.938 436 H SER 61 H SER 61 4.673 -11.814 -2.095 437 HA SER 61 HA SER 61 6.422 -13.656 -0.666 438 HB2 SER 61 1HB SER 61 7.150 -12.546 -3.420 439 HB3 SER 61 2HB SER 61 7.876 -13.898 -2.574 440 HG SER 61 HG SER 61 6.658 -14.945 -3.999 441 H GLU 62 H GLU 62 8.509 -12.599 -0.259 442 HA GLU 62 HA GLU 62 8.166 -9.987 0.757 443 HB2 GLU 62 1HB GLU 62 10.855 -11.329 0.409 444 HB3 GLU 62 2HB GLU 62 10.386 -10.086 1.581 445 HG2 GLU 62 1HG GLU 62 8.706 -11.878 2.481 446 HG3 GLU 62 2HG GLU 62 9.634 -13.016 1.566 447 H GLY 63 H GLY 63 8.547 -10.428 -2.392 448 HA2 GLY 63 1HA GLY 63 9.968 -7.894 -2.917 449 HA3 GLY 63 2HA GLY 63 10.482 -9.372 -3.751 450 H ALA 64 H ALA 64 7.060 -9.073 -2.934 451 HA ALA 64 HA ALA 64 6.293 -9.141 -5.765 452 HB1 ALA 64 1HB ALA 64 3.980 -8.971 -4.703 453 HB2 ALA 64 2HB ALA 64 4.923 -10.375 -4.149 454 HB3 ALA 64 3HB ALA 64 4.758 -8.942 -3.125 455 H GLU 65 H GLU 65 5.879 -7.239 -6.947 456 HA GLU 65 HA GLU 65 6.064 -4.693 -5.520 457 HB2 GLU 65 1HB GLU 65 5.818 -3.628 -7.657 458 HB3 GLU 65 2HB GLU 65 7.298 -4.557 -7.480 459 HG2 GLU 65 1HG GLU 65 6.499 -6.267 -8.977 460 HG3 GLU 65 2HG GLU 65 4.875 -5.561 -9.006 461 H VAL 66 H VAL 66 4.391 -3.503 -5.231 462 HA VAL 66 HA VAL 66 1.684 -4.395 -5.881 463 HB VAL 66 HB VAL 66 0.912 -4.340 -3.611 464 HG11 VAL 66 1HG1 VAL 66 3.347 -6.166 -3.692 465 HG12 VAL 66 2HG1 VAL 66 1.831 -6.398 -2.813 466 HG13 VAL 66 3HG1 VAL 66 1.838 -6.448 -4.580 467 HG21 VAL 66 3HG2 VAL 66 3.788 -3.829 -2.761 468 HG22 VAL 66 1HG2 VAL 66 2.375 -2.774 -2.516 469 HG23 VAL 66 2HG2 VAL 66 2.471 -4.333 -1.680 470 H SER 67 H SER 67 0.258 -2.607 -5.968 471 HA SER 67 HA SER 67 1.478 0.074 -5.577 472 HB2 SER 67 1HB SER 67 -1.212 -0.515 -6.786 473 HB3 SER 67 2HB SER 67 -0.191 0.901 -6.992 474 HG SER 67 HG SER 67 1.343 -0.847 -7.900 475 H VAL 68 H VAL 68 -0.050 1.743 -4.595 476 HA VAL 68 HA VAL 68 -1.934 0.664 -2.605 477 HB VAL 68 HB VAL 68 -0.790 2.550 -1.089 478 HG11 VAL 68 1HG1 VAL 68 0.332 -0.271 -1.237 479 HG12 VAL 68 2HG1 VAL 68 0.348 0.846 0.164 480 HG13 VAL 68 3HG1 VAL 68 -1.177 0.206 -0.446 481 HG21 VAL 68 3HG2 VAL 68 1.021 3.095 -2.732 482 HG22 VAL 68 1HG2 VAL 68 1.591 2.609 -1.128 483 HG23 VAL 68 2HG2 VAL 68 1.697 1.467 -2.477 484 H SER 69 H SER 69 -3.618 2.127 -2.119 485 HA SER 69 HA SER 69 -3.339 4.894 -2.910 486 HB2 SER 69 1HB SER 69 -5.311 4.999 -4.250 487 HB3 SER 69 2HB SER 69 -4.329 3.683 -4.912 488 HG SER 69 HG SER 69 -6.325 2.936 -4.853 489 H VAL 70 H VAL 70 -4.793 6.274 -1.655 490 HA VAL 70 HA VAL 70 -6.862 5.100 -0.055 491 HB VAL 70 HB VAL 70 -4.910 4.648 1.369 492 HG11 VAL 70 1HG1 VAL 70 -4.347 7.644 1.406 493 HG12 VAL 70 2HG1 VAL 70 -3.511 6.390 2.338 494 HG13 VAL 70 3HG1 VAL 70 -3.357 6.428 0.579 495 HG21 VAL 70 3HG2 VAL 70 -7.097 5.316 2.377 496 HG22 VAL 70 1HG2 VAL 70 -5.682 5.579 3.402 497 HG23 VAL 70 2HG2 VAL 70 -6.444 6.954 2.584 498 H TRP 71 H TRP 71 -8.244 6.794 0.761 499 HA TRP 71 HA TRP 71 -7.962 9.368 -0.681 500 HB2 TRP 71 1HB TRP 71 -10.239 7.996 0.787 501 HB3 TRP 71 2HB TRP 71 -10.297 9.647 0.229 502 HD1 TRP 71 HD TRP 71 -10.435 6.086 -1.113 503 HE1 TRP 71 1HE TRP 71 -11.299 6.139 -3.531 504 HE3 TRP 71 3HE TRP 71 -10.277 11.097 -1.892 505 HZ2 TRP 71 2HZ TRP 71 -11.485 8.139 -5.679 506 HZ3 TRP 71 3HZ TRP 71 -10.866 12.090 -4.099 507 HH2 TRP 71 HH TRP 71 -11.433 10.620 -5.993 508 H THR 72 H THR 72 -6.892 10.968 0.474 509 HA THR 72 HA THR 72 -7.808 11.558 3.100 510 HB THR 72 HB THR 72 -5.976 9.880 3.574 511 HG1 THR 72 1HG THR 72 -5.025 11.222 5.167 512 HG21 THR 72 3HG2 THR 72 -3.646 10.591 3.380 513 HG22 THR 72 1HG2 THR 72 -4.114 12.059 2.523 514 HG23 THR 72 2HG2 THR 72 -4.375 10.463 1.776 515 H GLY 73 H GLY 73 -6.539 13.782 3.744 516 HA2 GLY 73 1HA GLY 73 -6.212 15.961 3.145 517 HA3 GLY 73 2HA GLY 73 -5.368 15.337 1.721 518 H GLY 74 H GLY 74 -8.755 14.455 2.054 519 HA2 GLY 74 1HA GLY 74 -10.636 15.132 0.927 520 HA3 GLY 74 2HA GLY 74 -9.803 16.579 0.355 521 H ALA 75 H ALA 75 -7.648 14.214 -0.492 522 HA ALA 75 HA ALA 75 -8.755 13.970 -3.244 523 HB1 ALA 75 1HB ALA 75 -6.927 15.666 -2.890 524 HB2 ALA 75 2HB ALA 75 -5.904 14.368 -2.270 525 HB3 ALA 75 3HB ALA 75 -6.435 14.349 -3.968 526 H LEU 76 H LEU 76 -7.156 12.277 -4.436 527 HA LEU 76 HA LEU 76 -7.030 9.794 -2.782 528 HB2 LEU 76 1HB LEU 76 -8.504 9.652 -4.754 529 HB3 LEU 76 2HB LEU 76 -7.183 10.174 -5.795 530 HG LEU 76 HG LEU 76 -5.896 8.081 -4.949 531 HD11 LEU 76 1HD1 LEU 76 -7.588 7.718 -3.007 532 HD12 LEU 76 2HD1 LEU 76 -7.087 6.303 -3.956 533 HD13 LEU 76 3HD1 LEU 76 -8.660 7.073 -4.249 534 HD21 LEU 76 3HD2 LEU 76 -7.039 6.590 -6.545 535 HD22 LEU 76 1HD2 LEU 76 -6.845 8.223 -7.201 536 HD23 LEU 76 2HD2 LEU 76 -8.426 7.700 -6.595 537 H CYS 77 H CYS 77 -4.958 9.749 -1.888 538 HA CYS 77 HA CYS 77 -2.612 10.425 -3.482 539 HB2 CYS 77 1HB CYS 77 -2.968 9.145 -0.724 540 HB3 CYS 77 2HB CYS 77 -1.455 9.614 -1.453 541 HG CYS 77 HG CYS 77 -1.812 12.166 -1.527 542 H ARG 78 H ARG 78 -1.392 8.819 -4.603 543 HA ARG 78 HA ARG 78 -1.728 6.098 -3.658 544 HB2 ARG 78 1HB ARG 78 -2.805 5.075 -5.343 545 HB3 ARG 78 2HB ARG 78 -3.529 6.623 -5.545 546 HG2 ARG 78 1HG ARG 78 -3.077 6.269 -7.696 547 HG3 ARG 78 2HG ARG 78 -1.445 6.847 -7.317 548 HD2 ARG 78 1HD ARG 78 -0.721 4.522 -6.951 549 HD3 ARG 78 2HD ARG 78 -2.362 3.934 -7.226 550 HE ARG 78 HE ARG 78 -2.081 4.988 -9.561 551 HH11 ARG 78 1HH1 ARG 78 0.437 3.169 -7.769 552 HH12 ARG 78 2HH1 ARG 78 1.319 2.812 -9.202 553 HH21 ARG 78 1HH2 ARG 78 -1.042 4.282 -11.413 554 HH22 ARG 78 2HH2 ARG 78 0.465 3.408 -11.308 555 H CYS 79 H CYS 79 -0.186 4.586 -4.763 556 HA CYS 79 HA CYS 79 2.092 5.801 -6.051 557 HB2 CYS 79 1HB CYS 79 2.164 6.321 -3.422 558 HB3 CYS 79 2HB CYS 79 2.722 4.657 -3.315 559 HG CYS 79 HG CYS 79 4.809 6.338 -3.322 560 H ASP 80 H ASP 80 4.028 4.009 -5.623 561 HA ASP 80 HA ASP 80 3.048 1.367 -6.595 562 HB2 ASP 80 1HB ASP 80 5.353 3.082 -7.646 563 HB3 ASP 80 2HB ASP 80 4.913 1.495 -8.233 564 H GLY 81 H GLY 81 4.356 -0.302 -5.525 565 HA2 GLY 81 1HA GLY 81 6.877 0.346 -4.186 566 HA3 GLY 81 2HA GLY 81 5.453 0.106 -3.135 567 H ARG 82 H ARG 82 6.912 -1.642 -2.325 568 HA ARG 82 HA ARG 82 6.187 -4.118 -3.594 569 HB2 ARG 82 1HB ARG 82 9.104 -3.999 -2.886 570 HB3 ARG 82 2HB ARG 82 8.257 -5.220 -3.772 571 HG2 ARG 82 1HG ARG 82 9.498 -4.262 -5.417 572 HG3 ARG 82 2HG ARG 82 7.998 -3.350 -5.634 573 HD2 ARG 82 1HD ARG 82 8.894 -1.403 -4.656 574 HD3 ARG 82 2HD ARG 82 10.163 -2.297 -3.827 575 HE ARG 82 HE ARG 82 9.975 -1.817 -6.769 576 HH11 ARG 82 1HH1 ARG 82 12.055 -2.578 -3.944 577 HH12 ARG 82 2HH1 ARG 82 13.530 -2.291 -4.823 578 HH21 ARG 82 1HH2 ARG 82 11.962 -1.626 -7.905 579 HH22 ARG 82 2HH2 ARG 82 13.481 -1.722 -7.100 580 H VAL 83 H VAL 83 6.999 -6.017 -2.083 581 HA VAL 83 HA VAL 83 5.722 -5.419 0.330 582 HB VAL 83 HB VAL 83 7.032 -7.822 -0.852 583 HG11 VAL 83 1HG1 VAL 83 7.357 -8.089 1.554 584 HG12 VAL 83 2HG1 VAL 83 5.656 -7.664 1.857 585 HG13 VAL 83 3HG1 VAL 83 6.076 -9.139 0.953 586 HG21 VAL 83 3HG2 VAL 83 4.814 -7.016 -1.711 587 HG22 VAL 83 1HG2 VAL 83 4.646 -8.565 -0.868 588 HG23 VAL 83 2HG2 VAL 83 4.164 -7.064 -0.070 589 H GLU 84 H GLU 84 9.162 -5.792 -0.264 590 HA GLU 84 HA GLU 84 11.059 -5.553 0.980 591 HB2 GLU 84 1HB GLU 84 9.800 -3.372 1.670 592 HB3 GLU 84 2HB GLU 84 9.523 -4.172 3.192 593 HG2 GLU 84 1HG GLU 84 11.449 -2.779 3.412 594 HG3 GLU 84 2HG GLU 84 11.911 -4.457 3.550 595 H THR 85 H THR 85 8.344 -6.521 3.163 596 HA THR 85 HA THR 85 9.868 -8.873 4.054 597 HB THR 85 HB THR 85 8.690 -6.944 6.109 598 HG1 THR 85 1HG THR 85 10.526 -6.082 5.158 599 HG21 THR 85 3HG2 THR 85 9.961 -8.360 7.722 600 HG22 THR 85 1HG2 THR 85 10.433 -9.439 6.388 601 HG23 THR 85 2HG2 THR 85 8.730 -9.284 6.852 602 H LEU 86 H LEU 86 8.278 -10.334 3.302 603 HA LEU 86 HA LEU 86 5.420 -9.745 3.444 604 HB2 LEU 86 1HB LEU 86 6.618 -11.049 1.756 605 HB3 LEU 86 2HB LEU 86 6.734 -12.381 2.927 606 HG LEU 86 HG LEU 86 5.293 -12.587 1.287 607 HD11 LEU 86 1HD1 LEU 86 3.565 -13.612 1.796 608 HD12 LEU 86 2HD1 LEU 86 3.365 -12.708 3.314 609 HD13 LEU 86 3HD1 LEU 86 4.816 -13.770 3.054 610 HD21 LEU 86 3HD2 LEU 86 4.139 -10.899 0.270 611 HD22 LEU 86 1HD2 LEU 86 4.226 -9.904 1.717 612 HD23 LEU 86 2HD2 LEU 86 2.937 -11.082 1.570 613 H ARG 87 H ARG 87 3.937 -11.389 4.800 614 HA ARG 87 HA ARG 87 5.684 -13.201 6.043 615 HB2 ARG 87 1HB ARG 87 5.334 -11.587 7.908 616 HB3 ARG 87 2HB ARG 87 3.632 -11.438 7.570 617 HG2 ARG 87 1HG ARG 87 3.028 -13.238 8.785 618 HG3 ARG 87 2HG ARG 87 4.424 -14.189 8.342 619 HD2 ARG 87 1HD ARG 87 5.552 -12.205 9.906 620 HD3 ARG 87 2HD ARG 87 3.977 -12.418 10.674 621 HE ARG 87 HE ARG 87 4.611 -14.497 11.395 622 HH11 ARG 87 1HH1 ARG 87 7.043 -13.444 8.962 623 HH12 ARG 87 2HH1 ARG 87 7.823 -14.992 8.922 624 HH21 ARG 87 1HH2 ARG 87 5.833 -16.501 11.398 625 HH22 ARG 87 2HH2 ARG 87 7.041 -16.714 10.141 626 H ASP 88 H ASP 88 2.215 -12.656 5.460 627 HA ASP 88 HA ASP 88 2.107 -15.465 4.664 628 HB2 ASP 88 1HB ASP 88 0.247 -14.195 6.732 629 HB3 ASP 88 2HB ASP 88 -0.142 -15.699 5.931 630 H ASP 89 H ASP 89 -0.152 -15.818 3.680 631 HA ASP 89 HA ASP 89 -0.639 -14.172 1.525 632 HB2 ASP 89 1HB ASP 89 -2.671 -15.874 2.978 633 HB3 ASP 89 2HB ASP 89 -2.904 -15.214 1.377 634 H ARG 90 H ARG 90 -1.426 -13.359 4.756 635 HA ARG 90 HA ARG 90 -3.352 -11.260 3.930 636 HB2 ARG 90 1HB ARG 90 -4.259 -11.474 6.330 637 HB3 ARG 90 2HB ARG 90 -4.718 -12.711 5.152 638 HG2 ARG 90 1HG ARG 90 -3.115 -14.303 6.022 639 HG3 ARG 90 2HG ARG 90 -2.544 -13.159 7.229 640 HD2 ARG 90 1HD ARG 90 -4.490 -13.325 8.512 641 HD3 ARG 90 2HD ARG 90 -5.506 -13.728 7.131 642 HE ARG 90 HE ARG 90 -4.065 -15.563 8.834 643 HH11 ARG 90 1HH1 ARG 90 -5.346 -15.176 5.527 644 HH12 ARG 90 2HH1 ARG 90 -5.610 -16.874 5.310 645 HH21 ARG 90 1HH2 ARG 90 -4.431 -17.841 8.480 646 HH22 ARG 90 2HH2 ARG 90 -4.897 -18.406 6.912 647 H GLN 91 H GLN 91 -0.252 -11.821 5.468 648 HA GLN 91 HA GLN 91 -0.458 -9.132 6.733 649 HB2 GLN 91 1HB GLN 91 0.739 -11.649 7.913 650 HB3 GLN 91 2HB GLN 91 0.913 -10.043 8.588 651 HG2 GLN 91 1HG GLN 91 -1.481 -9.868 8.971 652 HG3 GLN 91 2HG GLN 91 -1.784 -11.383 8.167 653 HE21 GLN 91 1HE2 GLN 91 1.067 -11.451 10.296 654 HE22 GLN 91 2HE2 GLN 91 0.240 -12.369 11.548 655 H PHE 92 H PHE 92 1.221 -7.889 6.253 656 HA PHE 92 HA PHE 92 3.909 -8.859 5.842 657 HB2 PHE 92 1HB PHE 92 3.994 -8.110 3.377 658 HB3 PHE 92 2HB PHE 92 3.298 -9.662 3.751 659 HD1 PHE 92 2HD PHE 92 2.490 -6.179 2.794 660 HD2 PHE 92 1HD PHE 92 1.103 -10.197 3.180 661 HE1 PHE 92 2HE PHE 92 0.487 -5.559 1.518 662 HE2 PHE 92 1HE PHE 92 -1.113 -9.528 2.172 663 HZ PHE 92 HZ PHE 92 -1.394 -7.226 1.259 664 H ALA 93 H ALA 93 5.329 -7.115 4.963 665 HA ALA 93 HA ALA 93 4.601 -4.444 5.831 666 HB1 ALA 93 1HB ALA 93 6.841 -5.495 6.392 667 HB2 ALA 93 2HB ALA 93 7.234 -5.413 4.672 668 HB3 ALA 93 3HB ALA 93 6.923 -3.926 5.568 669 H ILE 94 H ILE 94 5.186 -2.648 4.219 670 HA ILE 94 HA ILE 94 5.777 -3.463 1.497 671 HB ILE 94 HB ILE 94 4.399 -1.504 0.651 672 HG12 ILE 94 1HG1 ILE 94 2.731 -1.890 3.162 673 HG13 ILE 94 2HG1 ILE 94 3.830 -0.544 2.912 674 HG21 ILE 94 1HG2 ILE 94 2.452 -2.871 0.213 675 HG22 ILE 94 2HG2 ILE 94 3.914 -3.862 0.179 676 HG23 ILE 94 3HG2 ILE 94 2.832 -3.926 1.594 677 HD11 ILE 94 3HD1 ILE 94 1.385 -1.164 1.235 678 HD12 ILE 94 1HD1 ILE 94 1.579 0.123 2.431 679 HD13 ILE 94 2HD1 ILE 94 2.546 0.159 0.937 680 H ARG 95 H ARG 95 7.203 -2.134 0.583 681 HA ARG 95 HA ARG 95 8.210 0.288 2.002 682 HB2 ARG 95 1HB ARG 95 9.426 -1.779 0.314 683 HB3 ARG 95 2HB ARG 95 9.574 -0.251 -0.505 684 HG2 ARG 95 1HG ARG 95 10.266 -0.443 2.445 685 HG3 ARG 95 2HG ARG 95 11.389 -0.999 1.224 686 HD2 ARG 95 1HD ARG 95 10.251 1.670 0.621 687 HD3 ARG 95 2HD ARG 95 11.228 1.627 2.073 688 HE ARG 95 HE ARG 95 12.116 1.257 -0.669 689 HH11 ARG 95 1HH1 ARG 95 12.961 0.628 2.776 690 HH12 ARG 95 2HH1 ARG 95 14.539 0.062 2.383 691 HH21 ARG 95 1HH2 ARG 95 14.285 0.571 -1.105 692 HH22 ARG 95 2HH2 ARG 95 15.360 0.296 0.214 693 H LEU 96 H LEU 96 7.898 2.221 1.064 694 HA LEU 96 HA LEU 96 6.346 2.386 -1.465 695 HB2 LEU 96 1HB LEU 96 7.044 4.699 0.389 696 HB3 LEU 96 2HB LEU 96 5.919 4.691 -0.953 697 HG LEU 96 HG LEU 96 4.545 4.779 0.889 698 HD11 LEU 96 1HD1 LEU 96 4.650 1.790 0.329 699 HD12 LEU 96 2HD1 LEU 96 3.729 3.028 -0.549 700 HD13 LEU 96 3HD1 LEU 96 3.340 2.670 1.129 701 HD21 LEU 96 3HD2 LEU 96 5.051 2.814 2.759 702 HD22 LEU 96 1HD2 LEU 96 5.522 4.520 2.838 703 HD23 LEU 96 2HD2 LEU 96 6.672 3.296 2.283 704 H VAL 97 H VAL 97 7.409 3.352 -3.203 705 HA VAL 97 HA VAL 97 10.176 4.368 -2.721 706 HB VAL 97 HB VAL 97 10.779 3.349 -4.926 707 HG11 VAL 97 1HG1 VAL 97 11.252 1.139 -4.013 708 HG12 VAL 97 2HG1 VAL 97 11.483 2.379 -2.774 709 HG13 VAL 97 3HG1 VAL 97 10.025 1.361 -2.746 710 HG21 VAL 97 3HG2 VAL 97 9.534 1.447 -5.806 711 HG22 VAL 97 1HG2 VAL 97 8.264 1.730 -4.617 712 HG23 VAL 97 2HG2 VAL 97 8.559 2.930 -5.877 713 H GLY 98 H GLY 98 10.937 5.888 -4.358 714 HA2 GLY 98 1HA GLY 98 10.809 7.626 -5.759 715 HA3 GLY 98 2HA GLY 98 9.190 7.120 -6.283 716 H ARG 99 H ARG 99 7.528 8.106 -5.458 717 HA ARG 99 HA ARG 99 7.549 9.922 -3.134 718 HB2 ARG 99 1HB ARG 99 8.700 10.984 -5.239 719 HB3 ARG 99 2HB ARG 99 7.084 11.096 -5.914 720 HG2 ARG 99 1HG ARG 99 7.849 12.310 -3.235 721 HG3 ARG 99 2HG ARG 99 8.168 13.112 -4.776 722 HD2 ARG 99 1HD ARG 99 5.532 12.679 -5.108 723 HD3 ARG 99 2HD ARG 99 5.632 12.668 -3.331 724 HE ARG 99 HE ARG 99 6.728 14.880 -5.008 725 HH11 ARG 99 1HH1 ARG 99 4.491 14.027 -2.368 726 HH12 ARG 99 2HH1 ARG 99 4.795 15.501 -1.490 727 HH21 ARG 99 1HH2 ARG 99 6.893 16.816 -4.086 728 HH22 ARG 99 2HH2 ARG 99 6.036 17.290 -2.666 729 H VAL 100 H VAL 100 5.386 10.399 -2.520 730 HA VAL 100 HA VAL 100 3.239 9.071 -4.089 731 HB VAL 100 HB VAL 100 3.064 10.210 -1.277 732 HG11 VAL 100 1HG1 VAL 100 0.855 9.952 -2.270 733 HG12 VAL 100 2HG1 VAL 100 1.238 8.305 -2.807 734 HG13 VAL 100 3HG1 VAL 100 1.069 8.667 -1.082 735 HG21 VAL 100 3HG2 VAL 100 4.711 8.385 -1.243 736 HG22 VAL 100 1HG2 VAL 100 3.266 8.043 -0.309 737 HG23 VAL 100 2HG2 VAL 100 3.499 7.280 -1.899 738 H ARG 101 H ARG 101 1.481 10.335 -4.928 739 HA ARG 101 HA ARG 101 1.290 13.093 -4.020 740 HB2 ARG 101 1HB ARG 101 1.191 14.115 -6.167 741 HB3 ARG 101 2HB ARG 101 2.701 13.249 -6.027 742 HG2 ARG 101 1HG ARG 101 2.298 12.338 -8.008 743 HG3 ARG 101 2HG ARG 101 1.083 11.342 -7.274 744 HD2 ARG 101 1HD ARG 101 -0.577 12.394 -8.448 745 HD3 ARG 101 2HD ARG 101 -0.062 13.978 -7.920 746 HE ARG 101 HE ARG 101 0.352 12.849 -10.479 747 HH11 ARG 101 1HH1 ARG 101 1.975 14.896 -8.133 748 HH12 ARG 101 2HH1 ARG 101 3.118 15.585 -9.245 749 HH21 ARG 101 1HH2 ARG 101 1.744 13.868 -12.038 750 HH22 ARG 101 2HH2 ARG 101 2.896 15.056 -11.533 751 H GLU 102 H GLU 102 -0.761 14.082 -4.801 752 HA GLU 102 HA GLU 102 -3.069 12.317 -4.511 753 HB2 GLU 102 1HB GLU 102 -2.665 15.289 -4.993 754 HB3 GLU 102 2HB GLU 102 -4.256 14.525 -4.818 755 HG2 GLU 102 1HG GLU 102 -3.760 13.878 -2.530 756 HG3 GLU 102 2HG GLU 102 -2.091 14.395 -2.690 757 H LEU 103 H LEU 103 -3.335 11.024 -6.425 758 HA LEU 103 HA LEU 103 -2.648 12.125 -9.029 759 HB2 LEU 103 1HB LEU 103 -4.001 9.568 -8.110 760 HB3 LEU 103 2HB LEU 103 -3.806 9.980 -9.808 761 HG LEU 103 HG LEU 103 -2.205 8.355 -9.028 762 HD11 LEU 103 1HD1 LEU 103 -0.966 10.962 -9.973 763 HD12 LEU 103 2HD1 LEU 103 -1.653 9.698 -10.980 764 HD13 LEU 103 3HD1 LEU 103 -0.174 9.386 -10.030 765 HD21 LEU 103 3HD2 LEU 103 -1.845 9.154 -6.743 766 HD22 LEU 103 1HD2 LEU 103 -0.961 10.545 -7.374 767 HD23 LEU 103 2HD2 LEU 103 -0.319 8.922 -7.622 768 H GLN 104 H GLN 104 -5.546 12.096 -7.130 769 HA GLN 104 HA GLN 104 -7.016 13.486 -9.242 770 HB2 GLN 104 1HB GLN 104 -8.070 10.921 -7.951 771 HB3 GLN 104 2HB GLN 104 -9.071 12.043 -8.857 772 HG2 GLN 104 1HG GLN 104 -6.738 10.499 -10.071 773 HG3 GLN 104 2HG GLN 104 -8.411 9.979 -10.084 774 HE21 GLN 104 1HE2 GLN 104 -6.183 12.483 -11.373 775 HE22 GLN 104 2HE2 GLN 104 -7.211 12.906 -12.724 776 H ARG 105 H ARG 105 -8.936 14.525 -8.382 777 HA ARG 105 HA ARG 105 -9.078 14.842 -5.437 778 HB2 ARG 105 1HB ARG 105 -8.717 16.946 -7.543 779 HB3 ARG 105 2HB ARG 105 -9.663 17.291 -6.086 780 HG2 ARG 105 1HG ARG 105 -7.813 16.778 -4.630 781 HG3 ARG 105 2HG ARG 105 -6.842 16.180 -5.985 782 HD2 ARG 105 1HD ARG 105 -5.988 18.218 -6.117 783 HD3 ARG 105 2HD ARG 105 -7.502 18.711 -6.861 784 HE ARG 105 HE ARG 105 -6.431 19.378 -4.268 785 HH11 ARG 105 1HH1 ARG 105 -9.446 19.420 -6.212 786 HH12 ARG 105 2HH1 ARG 105 -10.182 20.613 -5.218 787 HH21 ARG 105 1HH2 ARG 105 -7.446 21.032 -3.031 788 HH22 ARG 105 2HH2 ARG 105 -9.092 21.472 -3.366 789 H ARG 106 H ARG 106 -11.175 14.599 -4.832 790 HA ARG 106 HA ARG 106 -13.444 14.743 -6.708 791 HB2 ARG 106 1HB ARG 106 -13.047 14.410 -3.712 792 HB3 ARG 106 2HB ARG 106 -14.605 14.984 -4.301 793 HG2 ARG 106 1HG ARG 106 -14.998 12.953 -5.547 794 HG3 ARG 106 2HG ARG 106 -13.337 12.403 -5.276 795 HD2 ARG 106 1HD ARG 106 -14.833 11.212 -3.769 796 HD3 ARG 106 2HD ARG 106 -13.732 12.256 -2.860 797 HE ARG 106 HE ARG 106 -16.528 13.140 -3.478 798 HH11 ARG 106 1HH1 ARG 106 -14.319 12.010 -0.924 799 HH12 ARG 106 2HH1 ARG 106 -15.253 12.751 0.337 800 HH21 ARG 106 1HH2 ARG 106 -17.791 13.799 -1.918 801 HH22 ARG 106 2HH2 ARG 106 -17.352 13.851 -0.226 802 H GLU 107 H GLU 107 -14.879 16.633 -6.641 803 HA GLU 107 HA GLU 107 -13.909 18.983 -5.111 804 HB2 GLU 107 1HB GLU 107 -15.276 18.772 -7.809 805 HB3 GLU 107 2HB GLU 107 -15.367 20.223 -6.804 806 HG2 GLU 107 1HG GLU 107 -12.886 20.369 -6.745 807 HG3 GLU 107 2HG GLU 107 -12.781 18.934 -7.772 808 H TYR 108 H TYR 108 -14.915 17.698 -3.380 809 HA TYR 108 HA TYR 108 -16.534 17.106 -1.955 810 HB2 TYR 108 1HB TYR 108 -17.955 19.538 -3.058 811 HB3 TYR 108 2HB TYR 108 -18.155 18.832 -1.463 812 HD1 TYR 108 1HD TYR 108 -16.088 18.726 0.103 813 HD2 TYR 108 2HD TYR 108 -16.272 21.215 -3.422 814 HE1 TYR 108 1HE TYR 108 -14.169 20.055 0.931 815 HE2 TYR 108 2HE TYR 108 -14.362 22.548 -2.589 816 HH TYR 108 HH TYR 108 -12.567 21.560 0.373 817 H PHE 109 H PHE 109 -17.078 16.232 -4.929 818 HA PHE 109 HA PHE 109 -19.776 15.719 -5.421 819 HB2 PHE 109 1HB PHE 109 -17.182 14.278 -6.062 820 HB3 PHE 109 2HB PHE 109 -18.696 13.507 -6.426 821 HD1 PHE 109 2HD PHE 109 -16.846 16.709 -7.193 822 HD2 PHE 109 1HD PHE 109 -19.740 13.779 -8.439 823 HE1 PHE 109 2HE PHE 109 -16.742 17.594 -9.514 824 HE2 PHE 109 1HE PHE 109 -19.561 14.580 -10.759 825 HZ PHE 109 HZ PHE 109 -18.064 16.491 -11.316 Start of MODEL 6 1 H1 GLY 1 H GLY 1 18.665 9.859 16.995 2 HA2 GLY 1 1HA GLY 1 17.317 11.712 16.353 3 HA3 GLY 1 2HA GLY 1 18.974 12.323 16.544 4 H MET 2 H MET 2 20.351 12.311 14.435 5 HA MET 2 HA MET 2 18.907 13.869 12.634 6 HB2 MET 2 1HB MET 2 20.992 14.246 11.571 7 HB3 MET 2 2HB MET 2 21.264 14.159 13.305 8 HG2 MET 2 1HG MET 2 21.877 11.939 11.309 9 HG3 MET 2 2HG MET 2 23.014 13.093 11.981 10 HE1 MET 2 3HE MET 2 24.595 10.294 13.864 11 HE2 MET 2 1HE MET 2 24.252 10.601 12.146 12 HE3 MET 2 2HE MET 2 24.807 11.922 13.193 13 H SER 3 H SER 3 18.507 10.564 12.524 14 HA SER 3 HA SER 3 18.122 10.681 9.585 15 HB2 SER 3 1HB SER 3 19.849 8.990 10.535 16 HB3 SER 3 2HB SER 3 18.444 8.118 11.167 17 HG SER 3 HG SER 3 19.064 8.805 8.474 18 H ALA 4 H ALA 4 16.169 9.577 8.915 19 HA ALA 4 HA ALA 4 14.177 8.879 10.926 20 HB1 ALA 4 1HB ALA 4 12.429 10.278 9.822 21 HB2 ALA 4 2HB ALA 4 13.694 11.287 10.548 22 HB3 ALA 4 3HB ALA 4 13.675 11.011 8.790 23 H ASP 5 H ASP 5 12.301 7.852 9.727 24 HA ASP 5 HA ASP 5 13.304 6.437 7.281 25 HB2 ASP 5 1HB ASP 5 12.114 5.392 9.659 26 HB3 ASP 5 2HB ASP 5 10.899 5.269 8.396 27 H GLY 6 H GLY 6 11.974 6.513 5.421 28 HA2 GLY 6 1HA GLY 6 10.504 7.468 3.943 29 HA3 GLY 6 2HA GLY 6 9.392 7.758 5.298 30 H SER 7 H SER 7 8.899 9.863 5.414 31 HA SER 7 HA SER 7 10.383 11.976 6.118 32 HB2 SER 7 1HB SER 7 10.242 11.862 3.068 33 HB3 SER 7 2HB SER 7 10.273 13.404 3.937 34 HG SER 7 HG SER 7 12.170 11.342 4.353 35 H GLU 8 H GLU 8 7.982 11.268 3.568 36 HA GLU 8 HA GLU 8 6.001 13.044 4.928 37 HB2 GLU 8 1HB GLU 8 7.453 13.703 2.766 38 HB3 GLU 8 2HB GLU 8 6.207 12.749 1.950 39 HG2 GLU 8 1HG GLU 8 4.479 14.255 2.691 40 HG3 GLU 8 2HG GLU 8 5.583 15.036 3.829 41 H TYR 9 H TYR 9 6.587 9.848 3.955 42 HA TYR 9 HA TYR 9 4.119 9.154 2.712 43 HB2 TYR 9 1HB TYR 9 5.896 7.434 4.471 44 HB3 TYR 9 2HB TYR 9 4.736 6.872 3.275 45 HD1 TYR 9 1HD TYR 9 5.728 9.159 1.146 46 HD2 TYR 9 2HD TYR 9 7.601 6.089 3.500 47 HE1 TYR 9 1HE TYR 9 7.515 8.987 -0.526 48 HE2 TYR 9 2HE TYR 9 9.366 5.831 1.782 49 HH TYR 9 HH TYR 9 9.580 8.105 -0.980 50 H GLY 10 H GLY 10 5.100 9.429 6.136 51 HA2 GLY 10 1HA GLY 10 2.726 8.227 7.184 52 HA3 GLY 10 2HA GLY 10 3.866 9.229 8.061 53 H ARG 11 H ARG 11 3.105 11.300 5.585 54 HA ARG 11 HA ARG 11 1.063 12.700 7.150 55 HB2 ARG 11 1HB ARG 11 2.079 13.270 4.329 56 HB3 ARG 11 2HB ARG 11 1.165 14.340 5.355 57 HG2 ARG 11 1HG ARG 11 3.547 13.649 6.810 58 HG3 ARG 11 2HG ARG 11 3.999 13.996 5.152 59 HD2 ARG 11 1HD ARG 11 4.163 16.071 6.076 60 HD3 ARG 11 2HD ARG 11 2.545 16.133 5.377 61 HE ARG 11 HE ARG 11 2.563 15.186 8.139 62 HH11 ARG 11 1HH1 ARG 11 2.304 18.159 6.183 63 HH12 ARG 11 2HH1 ARG 11 1.759 19.105 7.515 64 HH21 ARG 11 1HH2 ARG 11 1.932 16.524 9.901 65 HH22 ARG 11 2HH2 ARG 11 1.242 18.077 9.524 66 H TYR 12 H TYR 12 1.258 10.347 4.582 67 HA TYR 12 HA TYR 12 -1.492 10.892 3.708 68 HB2 TYR 12 1HB TYR 12 0.625 9.305 2.293 69 HB3 TYR 12 2HB TYR 12 -0.837 9.984 1.621 70 HD1 TYR 12 1HD TYR 12 -0.754 12.826 2.620 71 HD2 TYR 12 2HD TYR 12 2.455 10.305 1.296 72 HE1 TYR 12 1HE TYR 12 0.483 14.830 1.829 73 HE2 TYR 12 2HE TYR 12 3.673 12.292 0.419 74 HH TYR 12 HH TYR 12 3.377 14.562 -0.198 75 H PHE 13 H PHE 13 0.734 8.273 4.627 76 HA PHE 13 HA PHE 13 -1.489 6.348 4.961 77 HB2 PHE 13 1HB PHE 13 1.531 5.950 5.016 78 HB3 PHE 13 2HB PHE 13 0.300 4.706 4.910 79 HD1 PHE 13 2HD PHE 13 -1.441 6.116 2.772 80 HD2 PHE 13 1HD PHE 13 2.790 5.554 3.048 81 HE1 PHE 13 2HE PHE 13 -1.307 6.134 0.277 82 HE2 PHE 13 1HE PHE 13 2.933 5.530 0.537 83 HZ PHE 13 HZ PHE 13 0.816 5.806 -0.818 84 H GLU 14 H GLU 14 -2.026 5.580 6.970 85 HA GLU 14 HA GLU 14 -0.513 6.653 9.258 86 HB2 GLU 14 1HB GLU 14 -2.912 7.799 8.460 87 HB3 GLU 14 2HB GLU 14 -3.440 6.646 9.650 88 HG2 GLU 14 1HG GLU 14 -1.787 7.573 11.257 89 HG3 GLU 14 2HG GLU 14 -1.194 8.675 10.018 90 H GLN 15 H GLN 15 -1.378 5.503 11.260 91 HA GLN 15 HA GLN 15 -0.221 2.961 10.519 92 HB2 GLN 15 1HB GLN 15 0.443 2.787 12.689 93 HB3 GLN 15 2HB GLN 15 0.369 4.535 12.324 94 HG2 GLN 15 1HG GLN 15 -1.938 4.392 13.513 95 HG3 GLN 15 2HG GLN 15 -1.300 2.897 14.211 96 HE21 GLN 15 1HE2 GLN 15 1.555 4.186 14.212 97 HE22 GLN 15 2HE2 GLN 15 1.447 5.418 15.436 98 H LEU 16 H LEU 16 -3.418 3.702 11.036 99 HA LEU 16 HA LEU 16 -4.195 0.848 11.239 100 HB2 LEU 16 1HB LEU 16 -5.750 3.239 12.274 101 HB3 LEU 16 2HB LEU 16 -6.077 1.534 12.541 102 HG LEU 16 HG LEU 16 -3.610 2.958 13.619 103 HD11 LEU 16 1HD1 LEU 16 -5.483 4.008 14.596 104 HD12 LEU 16 2HD1 LEU 16 -4.642 2.969 15.764 105 HD13 LEU 16 3HD1 LEU 16 -6.189 2.423 15.058 106 HD21 LEU 16 3HD2 LEU 16 -3.361 0.525 13.354 107 HD22 LEU 16 1HD2 LEU 16 -4.848 0.290 14.281 108 HD23 LEU 16 2HD2 LEU 16 -3.404 0.993 15.056 109 H GLN 17 H GLN 17 -3.737 3.343 9.198 110 HA GLN 17 HA GLN 17 -6.465 3.744 8.218 111 HB2 GLN 17 1HB GLN 17 -4.098 5.183 8.006 112 HB3 GLN 17 2HB GLN 17 -4.255 4.524 6.384 113 HG2 GLN 17 1HG GLN 17 -6.757 5.431 6.659 114 HG3 GLN 17 2HG GLN 17 -6.026 6.436 7.919 115 HE21 GLN 17 1HE2 GLN 17 -3.541 7.139 6.756 116 HE22 GLN 17 2HE2 GLN 17 -3.723 7.907 5.220 117 H LYS 18 H LYS 18 -7.330 2.862 6.372 118 HA LYS 18 HA LYS 18 -5.863 0.576 5.324 119 HB2 LYS 18 1HB LYS 18 -7.637 -0.639 5.245 120 HB3 LYS 18 2HB LYS 18 -7.882 0.275 6.687 121 HG2 LYS 18 1HG LYS 18 -9.252 1.391 4.346 122 HG3 LYS 18 2HG LYS 18 -9.646 -0.286 4.594 123 HD2 LYS 18 1HD LYS 18 -9.994 0.501 7.111 124 HD3 LYS 18 2HD LYS 18 -10.152 2.106 6.374 125 HE2 LYS 18 1HE LYS 18 -12.070 1.355 5.074 126 HE3 LYS 18 2HE LYS 18 -11.765 -0.337 5.524 127 HZ1 LYS 18 3HZ LYS 18 -12.169 0.351 7.861 128 HZ2 LYS 18 1HZ LYS 18 -13.489 0.466 6.868 129 HZ3 LYS 18 2HZ LYS 18 -12.658 1.821 7.321 130 H VAL 19 H VAL 19 -5.157 0.291 3.550 131 HA VAL 19 HA VAL 19 -5.353 2.408 1.401 132 HB VAL 19 HB VAL 19 -3.159 1.691 0.790 133 HG11 VAL 19 1HG1 VAL 19 -3.756 3.320 2.833 134 HG12 VAL 19 2HG1 VAL 19 -3.046 2.044 3.827 135 HG13 VAL 19 3HG1 VAL 19 -2.075 2.864 2.566 136 HG21 VAL 19 3HG2 VAL 19 -3.202 -0.268 3.147 137 HG22 VAL 19 1HG2 VAL 19 -3.028 -0.670 1.428 138 HG23 VAL 19 2HG2 VAL 19 -1.749 0.219 2.271 139 H ASN 20 H ASN 20 -4.861 1.276 -0.788 140 HA ASN 20 HA ASN 20 -6.344 -1.211 -1.260 141 HB2 ASN 20 1HB ASN 20 -5.458 1.182 -2.753 142 HB3 ASN 20 2HB ASN 20 -5.175 -0.264 -3.641 143 HD21 ASN 20 1HD2 ASN 20 -7.145 -1.785 -3.910 144 HD22 ASN 20 2HD2 ASN 20 -8.689 -0.980 -4.103 145 H LEU 21 H LEU 21 -5.408 -2.867 -2.741 146 HA LEU 21 HA LEU 21 -2.545 -3.419 -2.167 147 HB2 LEU 21 1HB LEU 21 -4.780 -5.435 -2.016 148 HB3 LEU 21 2HB LEU 21 -3.086 -5.673 -1.612 149 HG LEU 21 HG LEU 21 -5.078 -3.973 -0.106 150 HD11 LEU 21 1HD1 LEU 21 -5.511 -6.396 0.010 151 HD12 LEU 21 2HD1 LEU 21 -4.824 -5.880 1.539 152 HD13 LEU 21 3HD1 LEU 21 -3.805 -6.727 0.386 153 HD21 LEU 21 3HD2 LEU 21 -2.608 -3.224 0.093 154 HD22 LEU 21 1HD2 LEU 21 -2.328 -4.801 0.900 155 HD23 LEU 21 2HD2 LEU 21 -3.460 -3.612 1.571 156 H THR 22 H THR 22 -2.961 -2.537 -4.798 157 HA THR 22 HA THR 22 -3.517 -4.844 -6.491 158 HB THR 22 HB THR 22 -1.994 -2.316 -7.164 159 HG1 THR 22 1HG THR 22 -4.480 -2.526 -8.177 160 HG21 THR 22 3HG2 THR 22 -2.574 -2.947 -9.494 161 HG22 THR 22 1HG2 THR 22 -3.304 -4.468 -8.914 162 HG23 THR 22 2HG2 THR 22 -1.569 -4.185 -8.746 163 H VAL 23 H VAL 23 -2.258 -6.586 -6.522 164 HA VAL 23 HA VAL 23 0.724 -6.225 -6.475 165 HB VAL 23 HB VAL 23 -0.715 -8.836 -5.826 166 HG11 VAL 23 1HG1 VAL 23 1.607 -9.264 -4.805 167 HG12 VAL 23 2HG1 VAL 23 1.552 -9.145 -6.566 168 HG13 VAL 23 3HG1 VAL 23 2.133 -7.774 -5.595 169 HG21 VAL 23 3HG2 VAL 23 -0.271 -8.590 -3.496 170 HG22 VAL 23 1HG2 VAL 23 0.484 -7.019 -3.717 171 HG23 VAL 23 2HG2 VAL 23 -1.272 -7.225 -3.992 172 H ARG 24 H ARG 24 1.737 -6.802 -8.436 173 HA ARG 24 HA ARG 24 0.133 -7.698 -10.662 174 HB2 ARG 24 1HB ARG 24 1.999 -6.162 -10.892 175 HB3 ARG 24 2HB ARG 24 3.126 -7.355 -10.215 176 HG2 ARG 24 1HG ARG 24 2.639 -8.839 -12.102 177 HG3 ARG 24 2HG ARG 24 1.602 -7.596 -12.834 178 HD2 ARG 24 1HD ARG 24 4.583 -7.296 -12.228 179 HD3 ARG 24 2HD ARG 24 3.905 -7.754 -13.803 180 HE ARG 24 HE ARG 24 2.963 -5.217 -12.616 181 HH11 ARG 24 1HH1 ARG 24 5.179 -6.663 -15.077 182 HH12 ARG 24 2HH1 ARG 24 5.583 -5.073 -15.675 183 HH21 ARG 24 1HH2 ARG 24 3.488 -3.296 -13.536 184 HH22 ARG 24 2HH2 ARG 24 4.607 -3.218 -14.895 185 H LEU 25 H LEU 25 -0.379 -9.867 -11.165 186 HA LEU 25 HA LEU 25 1.310 -12.041 -10.085 187 HB2 LEU 25 1HB LEU 25 -1.569 -11.903 -11.048 188 HB3 LEU 25 2HB LEU 25 -0.716 -13.372 -10.828 189 HG LEU 25 HG LEU 25 -0.554 -13.253 -8.777 190 HD11 LEU 25 1HD1 LEU 25 -0.908 -11.909 -6.915 191 HD12 LEU 25 2HD1 LEU 25 -1.158 -10.508 -7.981 192 HD13 LEU 25 3HD1 LEU 25 0.400 -11.379 -7.916 193 HD21 LEU 25 3HD2 LEU 25 -2.882 -12.964 -7.744 194 HD22 LEU 25 1HD2 LEU 25 -2.702 -13.945 -9.197 195 HD23 LEU 25 2HD2 LEU 25 -3.308 -12.309 -9.345 196 H GLY 26 H GLY 26 2.716 -10.926 -11.943 197 HA2 GLY 26 1HA GLY 26 3.723 -11.436 -14.015 198 HA3 GLY 26 2HA GLY 26 2.441 -12.626 -14.316 199 H ASP 27 H ASP 27 2.651 -11.484 -16.532 200 HA ASP 27 HA ASP 27 1.894 -8.715 -16.702 201 HB2 ASP 27 1HB ASP 27 2.406 -10.924 -18.696 202 HB3 ASP 27 2HB ASP 27 1.669 -9.423 -19.258 203 H THR 28 H THR 28 -0.092 -11.608 -16.768 204 HA THR 28 HA THR 28 -2.436 -9.943 -17.573 205 HB THR 28 HB THR 28 -3.211 -11.965 -18.883 206 HG1 THR 28 1HG THR 28 -0.452 -12.588 -18.892 207 HG21 THR 28 3HG2 THR 28 -0.711 -10.562 -19.933 208 HG22 THR 28 1HG2 THR 28 -2.352 -9.897 -19.968 209 HG23 THR 28 2HG2 THR 28 -1.973 -11.357 -20.896 210 H GLY 29 H GLY 29 -1.667 -10.392 -14.940 211 HA2 GLY 29 1HA GLY 29 -4.258 -10.941 -14.111 212 HA3 GLY 29 2HA GLY 29 -3.252 -12.314 -13.585 213 H SER 30 H SER 30 -4.454 -10.782 -11.645 214 HA SER 30 HA SER 30 -2.200 -10.168 -10.012 215 HB2 SER 30 1HB SER 30 -3.039 -7.609 -9.770 216 HB3 SER 30 2HB SER 30 -1.898 -8.027 -11.047 217 HG SER 30 HG SER 30 -4.668 -7.604 -11.194 218 H PHE 31 H PHE 31 -2.840 -9.206 -7.960 219 HA PHE 31 HA PHE 31 -5.592 -9.971 -7.134 220 HB2 PHE 31 1HB PHE 31 -3.915 -11.244 -5.918 221 HB3 PHE 31 2HB PHE 31 -2.967 -9.818 -5.584 222 HD1 PHE 31 1HD PHE 31 -6.178 -11.584 -4.794 223 HD2 PHE 31 2HD PHE 31 -3.512 -8.357 -3.716 224 HE1 PHE 31 1HE PHE 31 -7.340 -11.340 -2.620 225 HE2 PHE 31 2HE PHE 31 -4.665 -8.138 -1.543 226 HZ PHE 31 HZ PHE 31 -6.574 -9.629 -0.975 227 H ASP 32 H ASP 32 -6.792 -8.169 -6.267 228 HA ASP 32 HA ASP 32 -5.307 -5.762 -5.627 229 HB2 ASP 32 1HB ASP 32 -6.203 -4.564 -7.232 230 HB3 ASP 32 2HB ASP 32 -6.968 -5.947 -7.939 231 H GLY 33 H GLY 33 -6.356 -4.721 -3.833 232 HA2 GLY 33 1HA GLY 33 -8.742 -5.859 -2.625 233 HA3 GLY 33 2HA GLY 33 -7.260 -6.531 -1.932 234 H THR 34 H THR 34 -8.225 -5.529 0.092 235 HA THR 34 HA THR 34 -7.178 -2.786 0.415 236 HB THR 34 HB THR 34 -9.431 -3.499 2.205 237 HG1 THR 34 1HG THR 34 -10.222 -4.402 0.267 238 HG21 THR 34 3HG2 THR 34 -10.166 -1.214 1.658 239 HG22 THR 34 1HG2 THR 34 -8.900 -1.093 0.415 240 HG23 THR 34 2HG2 THR 34 -8.458 -1.250 2.130 241 H ALA 35 H ALA 35 -6.102 -2.501 2.495 242 HA ALA 35 HA ALA 35 -6.486 -4.588 4.485 243 HB1 ALA 35 1HB ALA 35 -4.127 -4.724 5.104 244 HB2 ALA 35 2HB ALA 35 -4.314 -5.362 3.480 245 HB3 ALA 35 3HB ALA 35 -3.645 -3.732 3.731 246 H ALA 36 H ALA 36 -6.184 -3.741 6.600 247 HA ALA 36 HA ALA 36 -5.915 -0.807 6.815 248 HB1 ALA 36 1HB ALA 36 -7.497 -1.891 8.328 249 HB2 ALA 36 2HB ALA 36 -6.233 -2.996 8.914 250 HB3 ALA 36 3HB ALA 36 -6.112 -1.254 9.237 251 H ILE 37 H ILE 37 -3.967 0.094 7.615 252 HA ILE 37 HA ILE 37 -1.563 -1.483 7.691 253 HB ILE 37 HB ILE 37 -2.290 1.395 8.375 254 HG12 ILE 37 1HG1 ILE 37 -0.662 0.202 6.099 255 HG13 ILE 37 2HG1 ILE 37 -2.335 0.605 5.916 256 HG21 ILE 37 1HG2 ILE 37 0.122 1.903 8.469 257 HG22 ILE 37 2HG2 ILE 37 -0.275 0.742 9.702 258 HG23 ILE 37 3HG2 ILE 37 0.513 0.184 8.219 259 HD11 ILE 37 3HD1 ILE 37 -0.142 2.644 6.452 260 HD12 ILE 37 1HD1 ILE 37 -0.931 2.308 4.914 261 HD13 ILE 37 2HD1 ILE 37 -1.879 2.987 6.243 262 H THR 38 H THR 38 -0.363 -1.640 9.701 263 HA THR 38 HA THR 38 -1.930 -1.576 12.201 264 HB THR 38 HB THR 38 -2.242 -3.697 11.052 265 HG1 THR 38 1HG THR 38 -2.515 -4.534 12.871 266 HG21 THR 38 3HG2 THR 38 0.648 -4.062 11.552 267 HG22 THR 38 1HG2 THR 38 -0.275 -4.053 10.011 268 HG23 THR 38 2HG2 THR 38 -0.515 -5.375 11.159 269 H SER 39 H SER 39 0.981 -1.138 10.613 270 HA SER 39 HA SER 39 1.897 0.420 12.830 271 HB2 SER 39 1HB SER 39 3.603 -1.941 11.883 272 HB3 SER 39 2HB SER 39 4.255 -0.544 12.752 273 HG SER 39 HG SER 39 2.050 -1.790 13.902 274 H LEU 40 H LEU 40 3.324 2.075 11.992 275 HA LEU 40 HA LEU 40 4.527 1.619 9.373 276 HB2 LEU 40 1HB LEU 40 2.452 2.678 8.674 277 HB3 LEU 40 2HB LEU 40 2.568 3.896 9.924 278 HG LEU 40 HG LEU 40 4.950 4.043 8.208 279 HD11 LEU 40 1HD1 LEU 40 2.309 4.167 6.745 280 HD12 LEU 40 2HD1 LEU 40 3.686 3.060 6.478 281 HD13 LEU 40 3HD1 LEU 40 3.875 4.775 6.139 282 HD21 LEU 40 3HD2 LEU 40 2.660 5.984 8.609 283 HD22 LEU 40 1HD2 LEU 40 4.283 6.349 7.984 284 HD23 LEU 40 2HD2 LEU 40 4.084 5.838 9.672 285 H LYS 41 H LYS 41 6.329 2.499 9.046 286 HA LYS 41 HA LYS 41 7.527 4.319 10.986 287 HB2 LYS 41 1HB LYS 41 9.423 2.850 11.181 288 HB3 LYS 41 2HB LYS 41 7.990 2.254 11.997 289 HG2 LYS 41 1HG LYS 41 7.693 0.694 9.941 290 HG3 LYS 41 2HG LYS 41 9.334 1.222 9.492 291 HD2 LYS 41 1HD LYS 41 9.813 -0.693 10.614 292 HD3 LYS 41 2HD LYS 41 9.973 0.514 11.899 293 HE2 LYS 41 1HE LYS 41 7.682 -0.039 12.701 294 HE3 LYS 41 2HE LYS 41 7.502 -1.210 11.380 295 HZ1 LYS 41 3HZ LYS 41 9.387 -2.421 12.328 296 HZ2 LYS 41 1HZ LYS 41 8.126 -2.332 13.374 297 HZ3 LYS 41 2HZ LYS 41 9.443 -1.362 13.595 298 H GLY 42 H GLY 42 7.090 5.707 9.225 299 HA2 GLY 42 1HA GLY 42 7.541 6.871 7.342 300 HA3 GLY 42 2HA GLY 42 9.192 6.310 7.581 301 H SER 43 H SER 43 10.073 4.851 6.081 302 HA SER 43 HA SER 43 8.576 4.234 3.610 303 HB2 SER 43 1HB SER 43 10.866 3.103 3.155 304 HB3 SER 43 2HB SER 43 10.608 4.794 2.946 305 HG SER 43 HG SER 43 11.811 3.882 5.363 306 H LEU 44 H LEU 44 8.095 2.828 6.376 307 HA LEU 44 HA LEU 44 7.541 0.314 4.913 308 HB2 LEU 44 1HB LEU 44 9.533 0.167 6.593 309 HB3 LEU 44 2HB LEU 44 8.285 0.342 7.816 310 HG LEU 44 HG LEU 44 7.098 -1.664 6.650 311 HD11 LEU 44 1HD1 LEU 44 9.937 -1.883 5.547 312 HD12 LEU 44 2HD1 LEU 44 8.455 -1.685 4.590 313 HD13 LEU 44 3HD1 LEU 44 8.743 -3.175 5.496 314 HD21 LEU 44 3HD2 LEU 44 8.076 -1.867 8.856 315 HD22 LEU 44 1HD2 LEU 44 9.711 -1.975 8.164 316 HD23 LEU 44 2HD2 LEU 44 8.546 -3.281 7.886 317 H ALA 45 H ALA 45 5.392 -0.168 5.015 318 HA ALA 45 HA ALA 45 3.922 0.526 7.522 319 HB1 ALA 45 1HB ALA 45 2.869 1.414 5.282 320 HB2 ALA 45 2HB ALA 45 2.523 -0.291 4.966 321 HB3 ALA 45 3HB ALA 45 1.852 0.481 6.398 322 H TRP 46 H TRP 46 2.673 -1.316 8.345 323 HA TRP 46 HA TRP 46 3.094 -3.932 7.001 324 HB2 TRP 46 1HB TRP 46 3.148 -3.278 9.936 325 HB3 TRP 46 2HB TRP 46 2.358 -4.748 9.421 326 HD1 TRP 46 HD TRP 46 5.796 -3.018 9.276 327 HE1 TRP 46 1HE TRP 46 7.663 -4.777 9.109 328 HE3 TRP 46 3HE TRP 46 2.948 -7.288 8.712 329 HZ2 TRP 46 2HZ TRP 46 7.908 -7.572 8.621 330 HZ3 TRP 46 3HZ TRP 46 4.046 -9.447 8.384 331 HH2 TRP 46 HH TRP 46 6.560 -9.604 8.331 332 H LEU 47 H LEU 47 1.237 -5.111 6.701 333 HA LEU 47 HA LEU 47 -1.325 -3.709 7.107 334 HB2 LEU 47 1HB LEU 47 -0.399 -5.827 5.109 335 HB3 LEU 47 2HB LEU 47 -1.981 -5.108 5.176 336 HG LEU 47 HG LEU 47 -1.009 -4.119 3.403 337 HD11 LEU 47 1HD1 LEU 47 -2.096 -2.451 4.934 338 HD12 LEU 47 2HD1 LEU 47 -0.870 -1.743 3.863 339 HD13 LEU 47 3HD1 LEU 47 -0.489 -2.055 5.568 340 HD21 LEU 47 3HD2 LEU 47 1.514 -3.329 4.855 341 HD22 LEU 47 1HD2 LEU 47 1.107 -3.177 3.132 342 HD23 LEU 47 2HD2 LEU 47 1.334 -4.778 3.843 343 H GLU 48 H GLU 48 -3.202 -5.129 7.289 344 HA GLU 48 HA GLU 48 -2.753 -7.877 8.250 345 HB2 GLU 48 1HB GLU 48 -4.210 -7.479 10.201 346 HB3 GLU 48 2HB GLU 48 -2.904 -6.272 10.162 347 HG2 GLU 48 1HG GLU 48 -4.493 -4.708 9.046 348 HG3 GLU 48 2HG GLU 48 -5.801 -5.848 9.306 349 H LEU 49 H LEU 49 -3.804 -7.002 5.691 350 HA LEU 49 HA LEU 49 -5.508 -7.069 4.273 351 HB2 LEU 49 1HB LEU 49 -5.517 -9.589 5.800 352 HB3 LEU 49 2HB LEU 49 -7.042 -9.298 5.023 353 HG LEU 49 HG LEU 49 -4.326 -9.356 3.722 354 HD11 LEU 49 1HD1 LEU 49 -4.941 -11.468 2.803 355 HD12 LEU 49 2HD1 LEU 49 -6.658 -11.213 3.120 356 HD13 LEU 49 3HD1 LEU 49 -5.585 -11.546 4.456 357 HD21 LEU 49 3HD2 LEU 49 -5.767 -7.826 2.361 358 HD22 LEU 49 1HD2 LEU 49 -7.112 -8.982 2.442 359 HD23 LEU 49 2HD2 LEU 49 -5.654 -9.364 1.519 360 H PHE 50 H PHE 50 -7.978 -7.653 3.985 361 HA PHE 50 HA PHE 50 -9.692 -6.648 6.111 362 HB2 PHE 50 1HB PHE 50 -9.235 -5.215 3.615 363 HB3 PHE 50 2HB PHE 50 -10.865 -5.823 3.616 364 HD1 PHE 50 2HD PHE 50 -12.404 -5.268 5.555 365 HD2 PHE 50 1HD PHE 50 -8.556 -3.413 5.049 366 HE1 PHE 50 2HE PHE 50 -13.047 -3.525 7.166 367 HE2 PHE 50 1HE PHE 50 -9.196 -1.667 6.666 368 HZ PHE 50 HZ PHE 50 -11.440 -1.730 7.765 369 H GLY 51 H GLY 51 -12.022 -7.279 5.401 370 HA2 GLY 51 1HA GLY 51 -13.620 -8.474 4.432 371 HA3 GLY 51 2HA GLY 51 -12.501 -8.646 3.080 372 H ALA 52 H ALA 52 -11.067 -10.288 5.573 373 HA ALA 52 HA ALA 52 -10.799 -12.371 6.277 374 HB1 ALA 52 1HB ALA 52 -13.582 -13.031 5.289 375 HB2 ALA 52 2HB ALA 52 -12.592 -13.970 6.415 376 HB3 ALA 52 3HB ALA 52 -13.184 -12.361 6.897 377 H GLU 53 H GLU 53 -12.032 -12.101 2.986 378 HA GLU 53 HA GLU 53 -10.906 -14.480 1.849 379 HB2 GLU 53 1HB GLU 53 -11.110 -13.218 -0.256 380 HB3 GLU 53 2HB GLU 53 -12.572 -13.094 0.725 381 HG2 GLU 53 1HG GLU 53 -11.746 -10.838 1.563 382 HG3 GLU 53 2HG GLU 53 -10.431 -10.958 0.411 383 H GLN 54 H GLN 54 -8.895 -14.555 0.462 384 HA GLN 54 HA GLN 54 -6.862 -12.529 0.961 385 HB2 GLN 54 1HB GLN 54 -5.327 -13.915 2.209 386 HB3 GLN 54 2HB GLN 54 -6.858 -13.966 3.020 387 HG2 GLN 54 1HG GLN 54 -7.269 -16.214 1.786 388 HG3 GLN 54 2HG GLN 54 -5.568 -16.113 1.300 389 HE21 GLN 54 1HE2 GLN 54 -7.795 -16.604 4.041 390 HE22 GLN 54 2HE2 GLN 54 -6.506 -16.977 5.191 391 HA PRO 55 HA PRO 55 -5.544 -13.939 -2.970 392 HB2 PRO 55 1HB PRO 55 -2.736 -13.932 -2.815 393 HB3 PRO 55 2HB PRO 55 -3.764 -12.505 -3.102 394 HG2 PRO 55 1HG PRO 55 -2.493 -13.499 -0.572 395 HG3 PRO 55 2HG PRO 55 -2.720 -11.803 -1.128 396 HD2 PRO 55 1HD PRO 55 -4.261 -12.996 0.755 397 HD3 PRO 55 2HD PRO 55 -4.942 -11.774 -0.339 398 HA PRO 56 HA PRO 56 -4.193 -18.236 -3.073 399 HB2 PRO 56 1HB PRO 56 -2.551 -18.307 -5.357 400 HB3 PRO 56 2HB PRO 56 -4.349 -18.358 -5.366 401 HG2 PRO 56 1HG PRO 56 -2.489 -16.013 -5.749 402 HG3 PRO 56 2HG PRO 56 -3.940 -16.431 -6.704 403 HD2 PRO 56 1HD PRO 56 -3.954 -14.539 -4.768 404 HD3 PRO 56 2HD PRO 56 -5.363 -15.599 -5.028 405 HA PRO 57 HA PRO 57 -0.055 -18.278 -1.250 406 HB2 PRO 57 1HB PRO 57 0.559 -20.948 -1.432 407 HB3 PRO 57 2HB PRO 57 -0.673 -20.303 -0.292 408 HG2 PRO 57 1HG PRO 57 -1.104 -21.529 -3.035 409 HG3 PRO 57 2HG PRO 57 -1.962 -21.910 -1.505 410 HD2 PRO 57 1HD PRO 57 -2.986 -20.195 -3.355 411 HD3 PRO 57 2HD PRO 57 -3.207 -19.908 -1.602 412 H ASN 58 H ASN 58 2.214 -19.086 -1.844 413 HA ASN 58 HA ASN 58 3.983 -18.648 -3.173 414 HB2 ASN 58 1HB ASN 58 2.564 -20.783 -4.757 415 HB3 ASN 58 2HB ASN 58 4.175 -20.194 -5.169 416 HD21 ASN 58 1HD2 ASN 58 3.785 -22.859 -4.556 417 HD22 ASN 58 2HD2 ASN 58 4.498 -23.227 -2.981 418 H THR 59 H THR 59 1.622 -16.910 -3.693 419 HA THR 59 HA THR 59 2.363 -15.857 -6.390 420 HB THR 59 HB THR 59 -0.317 -15.554 -5.004 421 HG1 THR 59 1HG THR 59 0.076 -17.812 -5.502 422 HG21 THR 59 3HG2 THR 59 0.184 -13.967 -6.773 423 HG22 THR 59 1HG2 THR 59 -1.096 -15.107 -7.246 424 HG23 THR 59 2HG2 THR 59 0.548 -15.301 -7.897 425 H LEU 60 H LEU 60 1.122 -14.827 -3.133 426 HA LEU 60 HA LEU 60 2.270 -12.210 -3.342 427 HB2 LEU 60 1HB LEU 60 1.162 -13.916 -1.121 428 HB3 LEU 60 2HB LEU 60 2.377 -12.749 -0.636 429 HG LEU 60 HG LEU 60 -0.175 -12.080 -2.085 430 HD11 LEU 60 1HD1 LEU 60 -0.506 -12.751 0.256 431 HD12 LEU 60 2HD1 LEU 60 -0.825 -11.014 0.025 432 HD13 LEU 60 3HD1 LEU 60 0.673 -11.549 0.779 433 HD21 LEU 60 3HD2 LEU 60 0.427 -9.690 -1.464 434 HD22 LEU 60 1HD2 LEU 60 1.448 -10.380 -2.720 435 HD23 LEU 60 2HD2 LEU 60 2.053 -10.266 -1.046 436 H SER 61 H SER 61 4.441 -11.750 -3.369 437 HA SER 61 HA SER 61 6.310 -13.671 -2.029 438 HB2 SER 61 1HB SER 61 6.964 -12.259 -4.598 439 HB3 SER 61 2HB SER 61 7.763 -13.630 -3.860 440 HG SER 61 HG SER 61 5.078 -13.760 -4.821 441 H GLU 62 H GLU 62 8.412 -12.682 -1.497 442 HA GLU 62 HA GLU 62 7.849 -10.441 0.147 443 HB2 GLU 62 1HB GLU 62 10.642 -11.439 -0.543 444 HB3 GLU 62 2HB GLU 62 10.168 -10.481 0.857 445 HG2 GLU 62 1HG GLU 62 8.693 -12.524 1.483 446 HG3 GLU 62 2HG GLU 62 9.695 -13.409 0.334 447 H GLY 63 H GLY 63 8.687 -10.331 -3.009 448 HA2 GLY 63 1HA GLY 63 9.608 -7.514 -2.975 449 HA3 GLY 63 2HA GLY 63 10.512 -8.702 -3.937 450 H ALA 64 H ALA 64 6.979 -8.923 -3.365 451 HA ALA 64 HA ALA 64 6.420 -8.843 -6.179 452 HB1 ALA 64 1HB ALA 64 4.476 -8.319 -3.870 453 HB2 ALA 64 2HB ALA 64 4.091 -8.859 -5.496 454 HB3 ALA 64 3HB ALA 64 4.938 -9.955 -4.398 455 H GLU 65 H GLU 65 5.486 -7.061 -7.377 456 HA GLU 65 HA GLU 65 6.318 -4.485 -6.275 457 HB2 GLU 65 1HB GLU 65 5.930 -3.572 -8.459 458 HB3 GLU 65 2HB GLU 65 7.128 -4.851 -8.529 459 HG2 GLU 65 1HG GLU 65 5.962 -6.001 -10.014 460 HG3 GLU 65 2HG GLU 65 4.481 -5.963 -9.091 461 H VAL 66 H VAL 66 4.812 -3.098 -5.665 462 HA VAL 66 HA VAL 66 1.972 -3.897 -5.848 463 HB VAL 66 HB VAL 66 1.806 -3.467 -3.390 464 HG11 VAL 66 1HG1 VAL 66 3.762 -5.725 -4.002 465 HG12 VAL 66 2HG1 VAL 66 2.490 -5.693 -2.768 466 HG13 VAL 66 3HG1 VAL 66 2.060 -5.757 -4.482 467 HG21 VAL 66 3HG2 VAL 66 3.768 -3.622 -1.973 468 HG22 VAL 66 1HG2 VAL 66 4.812 -3.597 -3.394 469 HG23 VAL 66 2HG2 VAL 66 3.818 -2.168 -2.994 470 H SER 67 H SER 67 0.488 -2.240 -5.356 471 HA SER 67 HA SER 67 1.569 0.504 -5.385 472 HB2 SER 67 1HB SER 67 -0.821 0.433 -6.918 473 HB3 SER 67 2HB SER 67 0.831 0.815 -7.396 474 HG SER 67 HG SER 67 1.193 -1.344 -7.924 475 H VAL 68 H VAL 68 0.982 1.372 -3.566 476 HA VAL 68 HA VAL 68 -1.490 0.712 -2.147 477 HB VAL 68 HB VAL 68 -0.647 3.010 -0.979 478 HG11 VAL 68 1HG1 VAL 68 0.382 1.631 0.746 479 HG12 VAL 68 2HG1 VAL 68 -1.101 0.892 0.127 480 HG13 VAL 68 3HG1 VAL 68 0.470 0.247 -0.385 481 HG21 VAL 68 3HG2 VAL 68 2.010 1.721 -1.815 482 HG22 VAL 68 1HG2 VAL 68 1.360 3.270 -2.426 483 HG23 VAL 68 2HG2 VAL 68 1.763 3.090 -0.716 484 H SER 69 H SER 69 -3.206 2.160 -1.993 485 HA SER 69 HA SER 69 -2.953 4.706 -3.020 486 HB2 SER 69 1HB SER 69 -4.598 4.854 -4.634 487 HB3 SER 69 2HB SER 69 -3.818 3.335 -5.062 488 HG SER 69 HG SER 69 -6.315 3.596 -4.836 489 H VAL 70 H VAL 70 -4.282 6.127 -1.730 490 HA VAL 70 HA VAL 70 -6.504 4.855 -0.329 491 HB VAL 70 HB VAL 70 -4.955 6.789 1.197 492 HG11 VAL 70 1HG1 VAL 70 -6.997 6.106 2.098 493 HG12 VAL 70 2HG1 VAL 70 -6.431 4.423 2.097 494 HG13 VAL 70 3HG1 VAL 70 -5.638 5.638 3.145 495 HG21 VAL 70 3HG2 VAL 70 -3.392 4.424 0.890 496 HG22 VAL 70 1HG2 VAL 70 -3.463 5.464 2.402 497 HG23 VAL 70 2HG2 VAL 70 -3.092 6.169 0.869 498 H TRP 71 H TRP 71 -7.898 6.457 0.318 499 HA TRP 71 HA TRP 71 -7.530 9.174 -0.860 500 HB2 TRP 71 1HB TRP 71 -10.019 7.576 -0.205 501 HB3 TRP 71 2HB TRP 71 -9.987 9.305 -0.554 502 HD1 TRP 71 HD TRP 71 -9.658 5.908 -2.293 503 HE1 TRP 71 1HE TRP 71 -10.190 6.284 -4.746 504 HE3 TRP 71 3HE TRP 71 -8.751 10.865 -2.500 505 HZ2 TRP 71 2HZ TRP 71 -10.202 8.558 -6.647 506 HZ3 TRP 71 3HZ TRP 71 -9.031 12.180 -4.642 507 HH2 TRP 71 HH TRP 71 -9.833 11.048 -6.653 508 H THR 72 H THR 72 -6.054 9.496 0.917 509 HA THR 72 HA THR 72 -7.425 9.653 3.562 510 HB THR 72 HB THR 72 -5.034 8.837 3.641 511 HG1 THR 72 1HG THR 72 -4.707 10.207 5.437 512 HG21 THR 72 3HG2 THR 72 -4.452 11.613 2.569 513 HG22 THR 72 1HG2 THR 72 -3.649 10.026 2.307 514 HG23 THR 72 2HG2 THR 72 -3.469 10.887 3.848 515 H GLY 73 H GLY 73 -7.386 12.024 4.494 516 HA2 GLY 73 1HA GLY 73 -7.456 14.313 4.380 517 HA3 GLY 73 2HA GLY 73 -5.990 14.064 3.463 518 H GLY 74 H GLY 74 -9.056 13.099 2.018 519 HA2 GLY 74 1HA GLY 74 -10.122 13.867 0.128 520 HA3 GLY 74 2HA GLY 74 -9.594 15.497 0.532 521 H ALA 75 H ALA 75 -7.115 12.889 -0.082 522 HA ALA 75 HA ALA 75 -7.097 13.659 -2.905 523 HB1 ALA 75 1HB ALA 75 -5.521 15.285 -1.825 524 HB2 ALA 75 2HB ALA 75 -4.543 13.902 -1.284 525 HB3 ALA 75 3HB ALA 75 -4.768 14.228 -3.025 526 H LEU 76 H LEU 76 -5.844 12.332 -4.245 527 HA LEU 76 HA LEU 76 -6.043 9.557 -3.312 528 HB2 LEU 76 1HB LEU 76 -6.969 10.448 -5.596 529 HB3 LEU 76 2HB LEU 76 -5.329 10.402 -6.160 530 HG LEU 76 HG LEU 76 -7.273 8.319 -5.706 531 HD11 LEU 76 1HD1 LEU 76 -4.651 8.089 -7.185 532 HD12 LEU 76 2HD1 LEU 76 -6.120 8.819 -7.871 533 HD13 LEU 76 3HD1 LEU 76 -6.107 7.114 -7.445 534 HD21 LEU 76 3HD2 LEU 76 -5.925 6.415 -5.157 535 HD22 LEU 76 1HD2 LEU 76 -6.447 7.491 -3.878 536 HD23 LEU 76 2HD2 LEU 76 -4.735 7.502 -4.448 537 H CYS 77 H CYS 77 -4.358 8.968 -2.263 538 HA CYS 77 HA CYS 77 -1.593 9.729 -3.014 539 HB2 CYS 77 1HB CYS 77 -1.199 8.735 -0.679 540 HB3 CYS 77 2HB CYS 77 -1.964 10.322 -0.742 541 HG CYS 77 HG CYS 77 -4.226 9.720 -0.303 542 H ARG 78 H ARG 78 -1.940 8.449 -4.860 543 HA ARG 78 HA ARG 78 -1.787 5.506 -4.433 544 HB2 ARG 78 1HB ARG 78 -3.258 6.374 -6.222 545 HB3 ARG 78 2HB ARG 78 -1.879 7.151 -6.979 546 HG2 ARG 78 1HG ARG 78 -1.867 4.152 -6.453 547 HG3 ARG 78 2HG ARG 78 -2.713 4.803 -7.837 548 HD2 ARG 78 1HD ARG 78 -0.687 5.687 -8.796 549 HD3 ARG 78 2HD ARG 78 0.260 5.217 -7.376 550 HE ARG 78 HE ARG 78 -0.798 2.853 -8.045 551 HH11 ARG 78 1HH1 ARG 78 0.952 5.157 -10.151 552 HH12 ARG 78 2HH1 ARG 78 0.947 4.047 -11.489 553 HH21 ARG 78 1HH2 ARG 78 -0.120 1.275 -9.681 554 HH22 ARG 78 2HH2 ARG 78 0.490 1.903 -11.169 555 H CYS 79 H CYS 79 0.187 4.486 -4.509 556 HA CYS 79 HA CYS 79 2.459 5.831 -5.664 557 HB2 CYS 79 1HB CYS 79 2.167 6.631 -3.176 558 HB3 CYS 79 2HB CYS 79 2.787 5.041 -2.759 559 HG CYS 79 HG CYS 79 5.138 5.418 -3.335 560 H ASP 80 H ASP 80 4.438 4.340 -5.420 561 HA ASP 80 HA ASP 80 3.485 1.555 -5.941 562 HB2 ASP 80 1HB ASP 80 5.650 3.217 -7.274 563 HB3 ASP 80 2HB ASP 80 5.354 1.497 -7.559 564 H GLY 81 H GLY 81 4.795 -0.098 -5.045 565 HA2 GLY 81 1HA GLY 81 7.019 0.582 -3.220 566 HA3 GLY 81 2HA GLY 81 5.510 -0.102 -2.599 567 H ARG 82 H ARG 82 7.380 -1.691 -1.966 568 HA ARG 82 HA ARG 82 6.876 -4.007 -3.676 569 HB2 ARG 82 1HB ARG 82 9.524 -3.825 -2.225 570 HB3 ARG 82 2HB ARG 82 8.936 -5.109 -3.311 571 HG2 ARG 82 1HG ARG 82 9.644 -2.274 -4.210 572 HG3 ARG 82 2HG ARG 82 10.729 -3.659 -4.270 573 HD2 ARG 82 1HD ARG 82 8.830 -4.856 -5.601 574 HD3 ARG 82 2HD ARG 82 8.161 -3.216 -5.748 575 HE ARG 82 HE ARG 82 10.841 -4.097 -6.701 576 HH11 ARG 82 1HH1 ARG 82 7.875 -2.218 -7.290 577 HH12 ARG 82 2HH1 ARG 82 8.431 -1.520 -8.762 578 HH21 ARG 82 1HH2 ARG 82 11.608 -3.202 -8.584 579 HH22 ARG 82 2HH2 ARG 82 10.612 -2.178 -9.576 580 H VAL 83 H VAL 83 6.978 -6.028 -2.263 581 HA VAL 83 HA VAL 83 5.564 -5.624 0.169 582 HB VAL 83 HB VAL 83 6.900 -7.969 -1.149 583 HG11 VAL 83 1HG1 VAL 83 5.356 -8.069 1.481 584 HG12 VAL 83 2HG1 VAL 83 5.781 -9.473 0.459 585 HG13 VAL 83 3HG1 VAL 83 7.055 -8.528 1.233 586 HG21 VAL 83 3HG2 VAL 83 4.754 -6.975 -2.030 587 HG22 VAL 83 1HG2 VAL 83 4.622 -8.679 -1.541 588 HG23 VAL 83 2HG2 VAL 83 3.998 -7.416 -0.489 589 H GLU 84 H GLU 84 9.037 -5.954 -0.223 590 HA GLU 84 HA GLU 84 10.790 -5.467 1.121 591 HB2 GLU 84 1HB GLU 84 9.076 -3.677 1.940 592 HB3 GLU 84 2HB GLU 84 9.024 -4.598 3.409 593 HG2 GLU 84 1HG GLU 84 11.617 -3.578 2.174 594 HG3 GLU 84 2HG GLU 84 10.584 -2.539 3.129 595 H THR 85 H THR 85 8.200 -6.863 3.173 596 HA THR 85 HA THR 85 9.722 -9.329 3.649 597 HB THR 85 HB THR 85 8.743 -7.516 5.922 598 HG1 THR 85 1HG THR 85 11.388 -8.234 5.182 599 HG21 THR 85 3HG2 THR 85 9.850 -9.195 7.411 600 HG22 THR 85 1HG2 THR 85 10.084 -10.246 5.996 601 HG23 THR 85 2HG2 THR 85 8.446 -9.821 6.541 602 H LEU 86 H LEU 86 8.232 -10.870 3.247 603 HA LEU 86 HA LEU 86 5.365 -10.243 3.657 604 HB2 LEU 86 1HB LEU 86 6.270 -11.526 1.570 605 HB3 LEU 86 2HB LEU 86 6.475 -12.869 2.693 606 HG LEU 86 HG LEU 86 3.891 -12.279 3.256 607 HD11 LEU 86 1HD1 LEU 86 4.012 -10.189 1.793 608 HD12 LEU 86 2HD1 LEU 86 2.678 -11.279 1.466 609 HD13 LEU 86 3HD1 LEU 86 4.093 -11.260 0.390 610 HD21 LEU 86 3HD2 LEU 86 4.614 -13.650 0.636 611 HD22 LEU 86 1HD2 LEU 86 3.048 -13.730 1.469 612 HD23 LEU 86 2HD2 LEU 86 4.481 -14.418 2.245 613 H ARG 87 H ARG 87 4.154 -11.799 5.119 614 HA ARG 87 HA ARG 87 5.918 -13.426 6.863 615 HB2 ARG 87 1HB ARG 87 5.398 -11.411 8.145 616 HB3 ARG 87 2HB ARG 87 3.665 -11.647 7.899 617 HG2 ARG 87 1HG ARG 87 3.939 -13.914 9.085 618 HG3 ARG 87 2HG ARG 87 5.602 -13.404 9.427 619 HD2 ARG 87 1HD ARG 87 4.029 -11.204 10.222 620 HD3 ARG 87 2HD ARG 87 3.035 -12.593 10.647 621 HE ARG 87 HE ARG 87 4.787 -13.458 12.004 622 HH11 ARG 87 1HH1 ARG 87 5.496 -10.113 10.881 623 HH12 ARG 87 2HH1 ARG 87 6.550 -9.792 12.217 624 HH21 ARG 87 1HH2 ARG 87 6.488 -13.111 13.441 625 HH22 ARG 87 2HH2 ARG 87 7.357 -11.612 13.486 626 H ASP 88 H ASP 88 2.550 -12.703 5.789 627 HA ASP 88 HA ASP 88 1.995 -15.599 5.632 628 HB2 ASP 88 1HB ASP 88 0.410 -13.480 7.147 629 HB3 ASP 88 2HB ASP 88 -0.257 -15.025 6.680 630 H ASP 89 H ASP 89 -0.312 -15.697 4.557 631 HA ASP 89 HA ASP 89 -0.338 -14.152 2.117 632 HB2 ASP 89 1HB ASP 89 -2.122 -16.180 3.450 633 HB3 ASP 89 2HB ASP 89 -2.771 -15.297 2.100 634 H ARG 90 H ARG 90 -1.267 -13.405 5.261 635 HA ARG 90 HA ARG 90 -3.110 -11.233 4.383 636 HB2 ARG 90 1HB ARG 90 -4.091 -11.297 6.635 637 HB3 ARG 90 2HB ARG 90 -4.389 -12.774 5.690 638 HG2 ARG 90 1HG ARG 90 -2.903 -14.094 6.952 639 HG3 ARG 90 2HG ARG 90 -2.116 -12.704 7.660 640 HD2 ARG 90 1HD ARG 90 -3.385 -13.442 9.410 641 HD3 ARG 90 2HD ARG 90 -4.357 -12.112 8.759 642 HE ARG 90 HE ARG 90 -5.328 -14.334 7.439 643 HH11 ARG 90 1HH1 ARG 90 -5.255 -13.152 10.741 644 HH12 ARG 90 2HH1 ARG 90 -6.379 -14.299 11.389 645 HH21 ARG 90 1HH2 ARG 90 -6.654 -15.983 8.226 646 HH22 ARG 90 2HH2 ARG 90 -7.022 -16.132 9.904 647 H GLN 91 H GLN 91 -0.324 -11.957 6.550 648 HA GLN 91 HA GLN 91 -0.304 -9.078 7.308 649 HB2 GLN 91 1HB GLN 91 1.121 -11.436 8.620 650 HB3 GLN 91 2HB GLN 91 1.176 -9.754 9.122 651 HG2 GLN 91 1HG GLN 91 -1.375 -9.911 9.463 652 HG3 GLN 91 2HG GLN 91 -1.193 -11.650 9.264 653 HE21 GLN 91 1HE2 GLN 91 0.623 -9.109 11.133 654 HE22 GLN 91 2HE2 GLN 91 0.564 -9.986 12.641 655 H PHE 92 H PHE 92 1.297 -7.919 6.453 656 HA PHE 92 HA PHE 92 3.954 -8.907 5.983 657 HB2 PHE 92 1HB PHE 92 3.950 -8.554 3.465 658 HB3 PHE 92 2HB PHE 92 3.217 -10.024 4.061 659 HD1 PHE 92 1HD PHE 92 2.478 -6.676 2.671 660 HD2 PHE 92 2HD PHE 92 0.923 -10.554 3.657 661 HE1 PHE 92 1HE PHE 92 0.404 -6.098 1.527 662 HE2 PHE 92 2HE PHE 92 -1.207 -9.980 2.565 663 HZ PHE 92 HZ PHE 92 -1.485 -7.779 1.409 664 H ALA 93 H ALA 93 5.242 -7.193 4.643 665 HA ALA 93 HA ALA 93 4.452 -4.564 5.686 666 HB1 ALA 93 1HB ALA 93 6.659 -5.623 6.320 667 HB2 ALA 93 2HB ALA 93 7.154 -5.443 4.636 668 HB3 ALA 93 3HB ALA 93 6.746 -4.009 5.608 669 H ILE 94 H ILE 94 5.413 -2.708 4.228 670 HA ILE 94 HA ILE 94 5.823 -3.389 1.478 671 HB ILE 94 HB ILE 94 4.547 -1.274 0.774 672 HG12 ILE 94 1HG1 ILE 94 2.973 -1.844 3.314 673 HG13 ILE 94 2HG1 ILE 94 3.933 -0.401 2.986 674 HG21 ILE 94 1HG2 ILE 94 4.029 -3.700 0.244 675 HG22 ILE 94 2HG2 ILE 94 2.773 -3.619 1.497 676 HG23 ILE 94 3HG2 ILE 94 2.685 -2.560 0.071 677 HD11 ILE 94 3HD1 ILE 94 2.442 0.165 1.095 678 HD12 ILE 94 1HD1 ILE 94 1.416 -1.236 1.500 679 HD13 ILE 94 2HD1 ILE 94 1.593 0.087 2.654 680 H ARG 95 H ARG 95 7.535 -2.333 0.783 681 HA ARG 95 HA ARG 95 8.742 0.029 2.178 682 HB2 ARG 95 1HB ARG 95 10.169 -1.888 1.010 683 HB3 ARG 95 2HB ARG 95 9.549 -1.246 -0.495 684 HG2 ARG 95 1HG ARG 95 11.578 -0.104 -0.251 685 HG3 ARG 95 2HG ARG 95 10.415 1.059 0.354 686 HD2 ARG 95 1HD ARG 95 11.777 1.197 2.169 687 HD3 ARG 95 2HD ARG 95 11.020 -0.298 2.686 688 HE ARG 95 HE ARG 95 12.968 -1.485 2.153 689 HH11 ARG 95 1HH1 ARG 95 13.238 1.831 0.907 690 HH12 ARG 95 2HH1 ARG 95 14.872 1.701 0.420 691 HH21 ARG 95 1HH2 ARG 95 15.119 -1.671 1.734 692 HH22 ARG 95 2HH2 ARG 95 16.091 -0.333 1.166 693 H LEU 96 H LEU 96 8.023 1.900 1.713 694 HA LEU 96 HA LEU 96 6.406 2.437 -0.717 695 HB2 LEU 96 1HB LEU 96 7.431 4.167 1.587 696 HB3 LEU 96 2HB LEU 96 6.410 4.764 0.276 697 HG LEU 96 HG LEU 96 4.808 4.523 1.840 698 HD11 LEU 96 1HD1 LEU 96 4.864 1.604 0.962 699 HD12 LEU 96 2HD1 LEU 96 4.071 2.951 0.097 700 HD13 LEU 96 3HD1 LEU 96 3.501 2.463 1.690 701 HD21 LEU 96 3HD2 LEU 96 6.282 3.831 3.629 702 HD22 LEU 96 1HD2 LEU 96 6.198 2.131 3.092 703 HD23 LEU 96 2HD2 LEU 96 4.755 2.961 3.700 704 H VAL 97 H VAL 97 7.358 3.323 -2.614 705 HA VAL 97 HA VAL 97 9.935 4.675 -2.384 706 HB VAL 97 HB VAL 97 10.767 3.567 -4.302 707 HG11 VAL 97 1HG1 VAL 97 9.862 1.331 -2.440 708 HG12 VAL 97 2HG1 VAL 97 11.297 1.374 -3.460 709 HG13 VAL 97 3HG1 VAL 97 11.190 2.474 -2.089 710 HG21 VAL 97 3HG2 VAL 97 8.385 1.706 -4.372 711 HG22 VAL 97 1HG2 VAL 97 8.646 3.049 -5.497 712 HG23 VAL 97 2HG2 VAL 97 9.782 1.697 -5.454 713 H GLY 98 H GLY 98 10.340 5.780 -4.592 714 HA2 GLY 98 1HA GLY 98 9.719 6.735 -6.507 715 HA3 GLY 98 2HA GLY 98 8.156 5.906 -6.385 716 H ARG 99 H ARG 99 8.131 7.524 -3.827 717 HA ARG 99 HA ARG 99 7.513 9.512 -2.855 718 HB2 ARG 99 1HB ARG 99 9.091 10.588 -4.578 719 HB3 ARG 99 2HB ARG 99 7.620 10.920 -5.507 720 HG2 ARG 99 1HG ARG 99 7.963 11.860 -2.652 721 HG3 ARG 99 2HG ARG 99 8.536 12.778 -4.044 722 HD2 ARG 99 1HD ARG 99 5.912 12.113 -4.769 723 HD3 ARG 99 2HD ARG 99 5.815 12.381 -3.038 724 HE ARG 99 HE ARG 99 6.332 14.633 -3.287 725 HH11 ARG 99 1HH1 ARG 99 6.581 13.014 -6.449 726 HH12 ARG 99 2HH1 ARG 99 6.528 14.442 -7.373 727 HH21 ARG 99 1HH2 ARG 99 6.330 16.593 -4.497 728 HH22 ARG 99 2HH2 ARG 99 6.761 16.572 -6.169 729 H VAL 100 H VAL 100 5.579 10.102 -2.316 730 HA VAL 100 HA VAL 100 3.262 8.946 -3.754 731 HB VAL 100 HB VAL 100 3.320 10.387 -1.077 732 HG11 VAL 100 1HG1 VAL 100 1.200 9.197 -0.657 733 HG12 VAL 100 2HG1 VAL 100 1.076 10.163 -2.127 734 HG13 VAL 100 3HG1 VAL 100 1.293 8.413 -2.247 735 HG21 VAL 100 3HG2 VAL 100 4.803 8.380 -0.930 736 HG22 VAL 100 1HG2 VAL 100 3.366 8.289 0.096 737 HG23 VAL 100 2HG2 VAL 100 3.431 7.373 -1.410 738 H ARG 101 H ARG 101 2.302 10.256 -5.281 739 HA ARG 101 HA ARG 101 2.330 13.206 -4.846 740 HB2 ARG 101 1HB ARG 101 3.631 12.780 -6.764 741 HB3 ARG 101 2HB ARG 101 2.621 11.455 -7.309 742 HG2 ARG 101 1HG ARG 101 1.405 14.213 -7.242 743 HG3 ARG 101 2HG ARG 101 2.598 13.836 -8.489 744 HD2 ARG 101 1HD ARG 101 1.308 11.889 -9.236 745 HD3 ARG 101 2HD ARG 101 0.099 12.187 -7.993 746 HE ARG 101 HE ARG 101 -0.437 14.318 -9.014 747 HH11 ARG 101 1HH1 ARG 101 1.393 12.253 -11.240 748 HH12 ARG 101 2HH1 ARG 101 0.238 12.319 -12.508 749 HH21 ARG 101 1HH2 ARG 101 -1.896 14.553 -10.672 750 HH22 ARG 101 2HH2 ARG 101 -1.654 13.828 -12.237 751 H GLU 102 H GLU 102 0.289 14.204 -4.926 752 HA GLU 102 HA GLU 102 -2.043 12.540 -4.633 753 HB2 GLU 102 1HB GLU 102 -1.851 15.510 -5.229 754 HB3 GLU 102 2HB GLU 102 -3.298 14.635 -4.768 755 HG2 GLU 102 1HG GLU 102 -2.565 15.729 -2.807 756 HG3 GLU 102 2HG GLU 102 -2.158 14.018 -2.592 757 H LEU 103 H LEU 103 -2.428 11.272 -6.446 758 HA LEU 103 HA LEU 103 -2.212 12.256 -9.165 759 HB2 LEU 103 1HB LEU 103 -3.453 9.849 -7.864 760 HB3 LEU 103 2HB LEU 103 -3.844 10.257 -9.531 761 HG LEU 103 HG LEU 103 -1.340 10.229 -10.026 762 HD11 LEU 103 1HD1 LEU 103 -0.075 10.131 -8.100 763 HD12 LEU 103 2HD1 LEU 103 -0.234 8.414 -8.361 764 HD13 LEU 103 3HD1 LEU 103 -1.280 9.241 -7.184 765 HD21 LEU 103 3HD2 LEU 103 -2.912 8.484 -10.753 766 HD22 LEU 103 1HD2 LEU 103 -2.714 7.630 -9.210 767 HD23 LEU 103 2HD2 LEU 103 -1.344 7.792 -10.335 768 H GLN 104 H GLN 104 -4.616 12.588 -6.699 769 HA GLN 104 HA GLN 104 -6.130 14.463 -8.292 770 HB2 GLN 104 1HB GLN 104 -7.282 11.765 -7.460 771 HB3 GLN 104 2HB GLN 104 -8.296 13.183 -7.309 772 HG2 GLN 104 1HG GLN 104 -7.964 13.656 -9.750 773 HG3 GLN 104 2HG GLN 104 -7.078 12.129 -9.881 774 HE21 GLN 104 1HE2 GLN 104 -10.240 13.332 -8.486 775 HE22 GLN 104 2HE2 GLN 104 -11.144 11.920 -8.902 776 H ARG 105 H ARG 105 -7.712 15.646 -6.959 777 HA ARG 105 HA ARG 105 -7.379 15.334 -4.014 778 HB2 ARG 105 1HB ARG 105 -7.560 17.900 -5.612 779 HB3 ARG 105 2HB ARG 105 -7.976 17.772 -3.905 780 HG2 ARG 105 1HG ARG 105 -5.832 18.529 -3.789 781 HG3 ARG 105 2HG ARG 105 -5.612 16.796 -3.545 782 HD2 ARG 105 1HD ARG 105 -4.956 16.622 -5.987 783 HD3 ARG 105 2HD ARG 105 -5.144 18.382 -6.098 784 HE ARG 105 HE ARG 105 -3.388 17.558 -3.940 785 HH11 ARG 105 1HH1 ARG 105 -3.543 18.482 -7.344 786 HH12 ARG 105 2HH1 ARG 105 -1.966 19.185 -7.400 787 HH21 ARG 105 1HH2 ARG 105 -0.983 17.608 -4.303 788 HH22 ARG 105 2HH2 ARG 105 -0.454 18.587 -5.595 789 H ARG 106 H ARG 106 -9.260 14.742 -3.205 790 HA ARG 106 HA ARG 106 -11.821 14.813 -4.687 791 HB2 ARG 106 1HB ARG 106 -10.578 13.174 -2.566 792 HB3 ARG 106 2HB ARG 106 -12.102 13.860 -2.010 793 HG2 ARG 106 1HG ARG 106 -13.207 12.836 -4.053 794 HG3 ARG 106 2HG ARG 106 -11.670 12.076 -4.436 795 HD2 ARG 106 1HD ARG 106 -11.687 11.063 -2.085 796 HD3 ARG 106 2HD ARG 106 -13.300 11.754 -1.882 797 HE ARG 106 HE ARG 106 -12.801 9.926 -4.154 798 HH11 ARG 106 1HH1 ARG 106 -14.550 10.508 -1.069 799 HH12 ARG 106 2HH1 ARG 106 -15.515 9.103 -1.222 800 HH21 ARG 106 1HH2 ARG 106 -13.865 7.911 -4.146 801 HH22 ARG 106 2HH2 ARG 106 -15.097 7.535 -3.018 802 H GLU 107 H GLU 107 -12.883 16.771 -4.510 803 HA GLU 107 HA GLU 107 -12.157 18.743 -2.487 804 HB2 GLU 107 1HB GLU 107 -12.705 19.076 -5.023 805 HB3 GLU 107 2HB GLU 107 -14.365 18.802 -4.530 806 HG2 GLU 107 1HG GLU 107 -14.557 20.989 -4.169 807 HG3 GLU 107 2HG GLU 107 -13.595 20.752 -2.719 808 H TYR 108 H TYR 108 -13.043 16.691 -1.008 809 HA TYR 108 HA TYR 108 -15.882 17.295 -0.272 810 HB2 TYR 108 1HB TYR 108 -14.666 14.541 -0.480 811 HB3 TYR 108 2HB TYR 108 -16.305 14.919 0.050 812 HD1 TYR 108 1HD TYR 108 -17.924 16.055 -1.613 813 HD2 TYR 108 2HD TYR 108 -14.180 14.321 -2.772 814 HE1 TYR 108 1HE TYR 108 -18.660 16.083 -3.979 815 HE2 TYR 108 2HE TYR 108 -14.905 14.309 -5.161 816 HH TYR 108 HH TYR 108 -17.973 15.776 -6.212 817 H PHE 109 H PHE 109 -13.347 18.316 0.936 818 HA PHE 109 HA PHE 109 -13.771 17.192 3.632 819 HB2 PHE 109 1HB PHE 109 -11.467 16.924 3.176 820 HB3 PHE 109 2HB PHE 109 -11.363 18.473 2.339 821 HD1 PHE 109 1HD PHE 109 -11.738 16.901 5.719 822 HD2 PHE 109 2HD PHE 109 -11.295 20.476 3.435 823 HE1 PHE 109 1HE PHE 109 -11.302 18.153 7.829 824 HE2 PHE 109 2HE PHE 109 -10.841 21.789 5.596 825 HZ PHE 109 HZ PHE 109 -10.852 20.588 7.760 Start of MODEL 7 1 H1 GLY 1 H GLY 1 8.842 17.576 3.712 2 HA2 GLY 1 1HA GLY 1 11.484 17.375 5.036 3 HA3 GLY 1 2HA GLY 1 10.653 16.050 4.190 4 H MET 2 H MET 2 10.485 16.162 1.891 5 HA MET 2 HA MET 2 11.238 16.528 -0.238 6 HB2 MET 2 1HB MET 2 11.487 19.001 0.305 7 HB3 MET 2 2HB MET 2 13.185 18.662 0.644 8 HG2 MET 2 1HG MET 2 13.607 17.974 -1.581 9 HG3 MET 2 2HG MET 2 11.892 17.866 -1.983 10 HE1 MET 2 3HE MET 2 10.735 21.530 -2.399 11 HE2 MET 2 1HE MET 2 10.390 19.832 -2.764 12 HE3 MET 2 2HE MET 2 10.447 20.390 -1.076 13 H SER 3 H SER 3 11.736 14.345 0.604 14 HA SER 3 HA SER 3 14.585 13.894 1.199 15 HB2 SER 3 1HB SER 3 12.748 12.153 2.658 16 HB3 SER 3 2HB SER 3 14.170 13.030 3.211 17 HG SER 3 HG SER 3 12.966 14.727 3.769 18 H ALA 4 H ALA 4 14.963 11.390 1.024 19 HA ALA 4 HA ALA 4 13.706 10.470 -1.519 20 HB1 ALA 4 1HB ALA 4 15.958 9.966 -2.288 21 HB2 ALA 4 2HB ALA 4 15.869 11.672 -1.828 22 HB3 ALA 4 3HB ALA 4 16.643 10.497 -0.736 23 H ASP 5 H ASP 5 13.221 9.505 1.355 24 HA ASP 5 HA ASP 5 14.186 6.696 0.994 25 HB2 ASP 5 1HB ASP 5 14.724 8.443 3.411 26 HB3 ASP 5 2HB ASP 5 14.832 6.682 3.437 27 H GLY 6 H GLY 6 12.446 8.572 3.559 28 HA2 GLY 6 1HA GLY 6 10.135 6.748 3.291 29 HA3 GLY 6 2HA GLY 6 11.135 6.575 4.731 30 H SER 7 H SER 7 10.125 9.545 2.975 31 HA SER 7 HA SER 7 8.707 10.472 5.423 32 HB2 SER 7 1HB SER 7 11.238 11.234 4.526 33 HB3 SER 7 2HB SER 7 10.176 12.497 3.896 34 HG SER 7 HG SER 7 9.554 13.016 5.931 35 H GLU 8 H GLU 8 7.479 12.547 4.858 36 HA GLU 8 HA GLU 8 5.487 13.180 4.068 37 HB2 GLU 8 1HB GLU 8 6.938 12.878 1.417 38 HB3 GLU 8 2HB GLU 8 5.269 13.377 1.516 39 HG2 GLU 8 1HG GLU 8 6.136 15.437 1.546 40 HG3 GLU 8 2HG GLU 8 6.208 15.160 3.276 41 H TYR 9 H TYR 9 6.107 10.043 4.132 42 HA TYR 9 HA TYR 9 3.758 9.079 2.619 43 HB2 TYR 9 1HB TYR 9 5.703 7.550 4.422 44 HB3 TYR 9 2HB TYR 9 4.502 6.869 3.335 45 HD1 TYR 9 2HD TYR 9 5.297 9.200 1.136 46 HD2 TYR 9 1HD TYR 9 7.394 6.168 3.351 47 HE1 TYR 9 2HE TYR 9 7.026 9.084 -0.630 48 HE2 TYR 9 1HE TYR 9 9.063 5.966 1.499 49 HH TYR 9 HH TYR 9 9.760 6.911 -0.621 50 H GLY 10 H GLY 10 4.697 9.098 6.121 51 HA2 GLY 10 1HA GLY 10 2.339 7.790 6.962 52 HA3 GLY 10 2HA GLY 10 3.450 8.704 7.976 53 H ARG 11 H ARG 11 2.885 11.084 6.123 54 HA ARG 11 HA ARG 11 0.654 12.231 7.520 55 HB2 ARG 11 1HB ARG 11 0.868 14.056 5.781 56 HB3 ARG 11 2HB ARG 11 2.314 13.723 6.716 57 HG2 ARG 11 1HG ARG 11 3.434 12.692 4.987 58 HG3 ARG 11 2HG ARG 11 1.951 12.355 4.075 59 HD2 ARG 11 1HD ARG 11 3.187 14.074 2.966 60 HD3 ARG 11 2HD ARG 11 1.659 14.721 3.605 61 HE ARG 11 HE ARG 11 3.553 15.253 5.569 62 HH11 ARG 11 1HH1 ARG 11 2.822 16.173 2.246 63 HH12 ARG 11 2HH1 ARG 11 3.568 17.731 2.346 64 HH21 ARG 11 1HH2 ARG 11 4.375 17.472 5.745 65 HH22 ARG 11 2HH2 ARG 11 4.584 18.399 4.297 66 H TYR 12 H TYR 12 0.754 10.143 4.720 67 HA TYR 12 HA TYR 12 -2.070 10.841 4.120 68 HB2 TYR 12 1HB TYR 12 -0.250 9.073 2.428 69 HB3 TYR 12 2HB TYR 12 -1.720 9.902 2.003 70 HD1 TYR 12 2HD TYR 12 -0.888 12.674 3.149 71 HD2 TYR 12 1HD TYR 12 1.104 9.764 0.764 72 HE1 TYR 12 2HE TYR 12 0.176 14.477 1.924 73 HE2 TYR 12 1HE TYR 12 2.153 11.483 -0.609 74 HH TYR 12 HH TYR 12 1.367 15.009 -0.099 75 H PHE 13 H PHE 13 0.251 8.110 4.509 76 HA PHE 13 HA PHE 13 -2.023 6.262 4.777 77 HB2 PHE 13 1HB PHE 13 0.962 5.798 4.883 78 HB3 PHE 13 2HB PHE 13 -0.275 4.554 4.802 79 HD1 PHE 13 1HD PHE 13 -1.928 4.785 2.664 80 HD2 PHE 13 2HD PHE 13 2.057 6.420 2.881 81 HE1 PHE 13 1HE PHE 13 -1.760 4.721 0.194 82 HE2 PHE 13 2HE PHE 13 2.183 6.441 0.410 83 HZ PHE 13 HZ PHE 13 0.288 5.535 -0.939 84 H GLU 14 H GLU 14 -2.792 5.874 6.823 85 HA GLU 14 HA GLU 14 -1.250 6.949 9.153 86 HB2 GLU 14 1HB GLU 14 -3.650 7.663 8.699 87 HB3 GLU 14 2HB GLU 14 -4.138 6.014 9.069 88 HG2 GLU 14 1HG GLU 14 -2.955 6.458 11.378 89 HG3 GLU 14 2HG GLU 14 -3.011 8.159 10.891 90 H GLN 15 H GLN 15 -1.175 5.643 10.998 91 HA GLN 15 HA GLN 15 -0.143 2.996 10.727 92 HB2 GLN 15 1HB GLN 15 0.089 4.672 12.702 93 HB3 GLN 15 2HB GLN 15 -1.479 4.017 13.223 94 HG2 GLN 15 1HG GLN 15 -0.503 2.236 14.165 95 HG3 GLN 15 2HG GLN 15 0.255 1.787 12.649 96 HE21 GLN 15 1HE2 GLN 15 1.129 2.368 15.895 97 HE22 GLN 15 2HE2 GLN 15 2.744 2.924 15.489 98 H LEU 16 H LEU 16 -3.446 3.957 10.922 99 HA LEU 16 HA LEU 16 -4.336 1.128 11.199 100 HB2 LEU 16 1HB LEU 16 -5.501 3.545 12.633 101 HB3 LEU 16 2HB LEU 16 -6.375 2.051 12.372 102 HG LEU 16 HG LEU 16 -4.262 0.845 13.335 103 HD11 LEU 16 1HD1 LEU 16 -3.464 2.428 15.277 104 HD12 LEU 16 2HD1 LEU 16 -3.585 3.613 13.949 105 HD13 LEU 16 3HD1 LEU 16 -2.640 2.096 13.741 106 HD21 LEU 16 3HD2 LEU 16 -6.539 0.901 14.343 107 HD22 LEU 16 1HD2 LEU 16 -6.183 2.491 15.038 108 HD23 LEU 16 2HD2 LEU 16 -5.299 1.038 15.597 109 H GLN 17 H GLN 17 -4.146 3.430 8.969 110 HA GLN 17 HA GLN 17 -6.969 3.511 8.018 111 HB2 GLN 17 1HB GLN 17 -4.425 4.807 7.174 112 HB3 GLN 17 2HB GLN 17 -5.309 4.057 5.860 113 HG2 GLN 17 1HG GLN 17 -7.279 5.330 6.214 114 HG3 GLN 17 2HG GLN 17 -6.598 6.070 7.671 115 HE21 GLN 17 1HE2 GLN 17 -4.278 5.672 5.039 116 HE22 GLN 17 2HE2 GLN 17 -4.203 7.416 4.790 117 H LYS 18 H LYS 18 -7.414 2.415 5.916 118 HA LYS 18 HA LYS 18 -5.682 0.082 5.429 119 HB2 LYS 18 1HB LYS 18 -7.561 -1.084 4.760 120 HB3 LYS 18 2HB LYS 18 -7.861 -0.426 6.371 121 HG2 LYS 18 1HG LYS 18 -8.734 1.257 4.219 122 HG3 LYS 18 2HG LYS 18 -9.389 -0.336 4.021 123 HD2 LYS 18 1HD LYS 18 -10.636 -0.161 6.044 124 HD3 LYS 18 2HD LYS 18 -9.665 1.183 6.650 125 HE2 LYS 18 1HE LYS 18 -10.627 2.731 5.137 126 HE3 LYS 18 2HE LYS 18 -11.236 1.466 4.058 127 HZ1 LYS 18 3HZ LYS 18 -12.950 2.546 5.482 128 HZ2 LYS 18 1HZ LYS 18 -12.266 1.813 6.796 129 HZ3 LYS 18 2HZ LYS 18 -12.877 0.898 5.602 130 H VAL 19 H VAL 19 -5.512 -0.581 3.141 131 HA VAL 19 HA VAL 19 -5.687 1.728 1.287 132 HB VAL 19 HB VAL 19 -3.503 1.364 0.451 133 HG11 VAL 19 1HG1 VAL 19 -3.359 1.741 3.447 134 HG12 VAL 19 2HG1 VAL 19 -2.263 2.383 2.207 135 HG13 VAL 19 3HG1 VAL 19 -3.935 2.979 2.292 136 HG21 VAL 19 3HG2 VAL 19 -2.986 -0.935 0.883 137 HG22 VAL 19 1HG2 VAL 19 -1.804 0.055 1.746 138 HG23 VAL 19 2HG2 VAL 19 -3.114 -0.699 2.630 139 H ASN 20 H ASN 20 -4.817 0.524 -0.988 140 HA ASN 20 HA ASN 20 -6.773 -1.582 -1.531 141 HB2 ASN 20 1HB ASN 20 -6.368 0.749 -2.897 142 HB3 ASN 20 2HB ASN 20 -4.919 -0.055 -3.438 143 HD21 ASN 20 1HD2 ASN 20 -7.827 -2.033 -2.894 144 HD22 ASN 20 2HD2 ASN 20 -7.936 -2.412 -4.561 145 H LEU 21 H LEU 21 -5.850 -3.512 -2.945 146 HA LEU 21 HA LEU 21 -2.987 -3.946 -2.270 147 HB2 LEU 21 1HB LEU 21 -5.124 -6.037 -1.893 148 HB3 LEU 21 2HB LEU 21 -3.401 -6.302 -1.813 149 HG LEU 21 HG LEU 21 -4.961 -4.548 0.091 150 HD11 LEU 21 1HD1 LEU 21 -5.415 -7.018 0.269 151 HD12 LEU 21 2HD1 LEU 21 -4.574 -6.364 1.673 152 HD13 LEU 21 3HD1 LEU 21 -3.664 -7.281 0.479 153 HD21 LEU 21 3HD2 LEU 21 -2.594 -3.809 -0.057 154 HD22 LEU 21 1HD2 LEU 21 -2.044 -5.488 0.043 155 HD23 LEU 21 2HD2 LEU 21 -2.800 -4.731 1.444 156 H THR 22 H THR 22 -3.498 -2.936 -4.626 157 HA THR 22 HA THR 22 -3.887 -4.856 -6.688 158 HB THR 22 HB THR 22 -1.969 -2.491 -6.775 159 HG1 THR 22 1HG THR 22 -4.790 -2.498 -6.777 160 HG21 THR 22 3HG2 THR 22 -2.789 -2.335 -9.118 161 HG22 THR 22 1HG2 THR 22 -3.811 -3.768 -8.852 162 HG23 THR 22 2HG2 THR 22 -2.052 -3.914 -8.786 163 H VAL 23 H VAL 23 -2.719 -6.734 -6.769 164 HA VAL 23 HA VAL 23 0.277 -6.481 -6.537 165 HB VAL 23 HB VAL 23 -1.336 -9.051 -6.186 166 HG11 VAL 23 1HG1 VAL 23 0.796 -9.970 -5.342 167 HG12 VAL 23 2HG1 VAL 23 1.067 -9.309 -6.956 168 HG13 VAL 23 3HG1 VAL 23 1.572 -8.388 -5.543 169 HG21 VAL 23 3HG2 VAL 23 -0.029 -7.341 -4.040 170 HG22 VAL 23 1HG2 VAL 23 -1.771 -7.615 -4.225 171 HG23 VAL 23 2HG2 VAL 23 -0.695 -8.960 -3.800 172 H ARG 24 H ARG 24 1.510 -7.006 -8.346 173 HA ARG 24 HA ARG 24 0.185 -7.660 -10.875 174 HB2 ARG 24 1HB ARG 24 2.162 -6.187 -10.796 175 HB3 ARG 24 2HB ARG 24 3.075 -7.442 -9.943 176 HG2 ARG 24 1HG ARG 24 2.973 -8.907 -11.897 177 HG3 ARG 24 2HG ARG 24 2.046 -7.671 -12.790 178 HD2 ARG 24 1HD ARG 24 3.933 -6.112 -12.584 179 HD3 ARG 24 2HD ARG 24 4.846 -7.302 -11.629 180 HE ARG 24 HE ARG 24 4.368 -8.625 -13.971 181 HH11 ARG 24 1HH1 ARG 24 5.965 -5.542 -13.077 182 HH12 ARG 24 2HH1 ARG 24 6.791 -5.412 -14.593 183 HH21 ARG 24 1HH2 ARG 24 5.655 -8.448 -15.957 184 HH22 ARG 24 2HH2 ARG 24 6.658 -7.052 -16.164 185 H LEU 25 H LEU 25 -0.391 -9.795 -11.317 186 HA LEU 25 HA LEU 25 1.286 -11.968 -10.149 187 HB2 LEU 25 1HB LEU 25 -1.610 -12.106 -11.038 188 HB3 LEU 25 2HB LEU 25 -0.617 -13.419 -10.421 189 HG LEU 25 HG LEU 25 -1.699 -11.011 -8.909 190 HD11 LEU 25 1HD1 LEU 25 -2.055 -14.028 -8.778 191 HD12 LEU 25 2HD1 LEU 25 -3.243 -12.788 -9.186 192 HD13 LEU 25 3HD1 LEU 25 -2.651 -12.938 -7.518 193 HD21 LEU 25 3HD2 LEU 25 0.456 -12.928 -7.987 194 HD22 LEU 25 1HD2 LEU 25 -0.574 -11.977 -6.874 195 HD23 LEU 25 2HD2 LEU 25 0.501 -11.180 -8.001 196 H GLY 26 H GLY 26 2.804 -11.730 -11.835 197 HA2 GLY 26 1HA GLY 26 3.637 -12.652 -13.810 198 HA3 GLY 26 2HA GLY 26 2.033 -13.266 -14.169 199 H ASP 27 H ASP 27 1.625 -10.007 -13.644 200 HA ASP 27 HA ASP 27 1.500 -8.073 -14.865 201 HB2 ASP 27 1HB ASP 27 3.657 -8.537 -16.008 202 HB3 ASP 27 2HB ASP 27 2.803 -9.509 -17.183 203 H THR 28 H THR 28 0.983 -10.929 -16.943 204 HA THR 28 HA THR 28 -1.410 -10.117 -18.169 205 HB THR 28 HB THR 28 -0.183 -11.957 -18.988 206 HG1 THR 28 1HG THR 28 -2.567 -12.126 -18.981 207 HG21 THR 28 3HG2 THR 28 -0.639 -13.463 -16.376 208 HG22 THR 28 1HG2 THR 28 0.911 -12.883 -17.010 209 HG23 THR 28 2HG2 THR 28 0.057 -14.136 -17.870 210 H GLY 29 H GLY 29 -0.989 -11.609 -14.864 211 HA2 GLY 29 1HA GLY 29 -3.886 -11.118 -14.388 212 HA3 GLY 29 2HA GLY 29 -2.857 -12.267 -13.521 213 H SER 30 H SER 30 -4.352 -10.389 -12.227 214 HA SER 30 HA SER 30 -2.203 -9.350 -10.603 215 HB2 SER 30 1HB SER 30 -3.962 -7.323 -10.188 216 HB3 SER 30 2HB SER 30 -2.552 -7.185 -11.205 217 HG SER 30 HG SER 30 -4.591 -6.455 -12.125 218 H PHE 31 H PHE 31 -3.341 -8.577 -8.451 219 HA PHE 31 HA PHE 31 -5.810 -10.066 -7.880 220 HB2 PHE 31 1HB PHE 31 -3.887 -11.314 -6.846 221 HB3 PHE 31 2HB PHE 31 -3.428 -9.862 -5.972 222 HD1 PHE 31 2HD PHE 31 -6.237 -12.254 -6.548 223 HD2 PHE 31 1HD PHE 31 -4.393 -9.469 -3.811 224 HE1 PHE 31 2HE PHE 31 -7.915 -12.859 -4.822 225 HE2 PHE 31 1HE PHE 31 -6.225 -9.972 -2.146 226 HZ PHE 31 HZ PHE 31 -7.924 -11.695 -2.636 227 H ASP 32 H ASP 32 -7.102 -8.790 -6.267 228 HA ASP 32 HA ASP 32 -5.841 -6.365 -5.293 229 HB2 ASP 32 1HB ASP 32 -7.000 -5.499 -7.266 230 HB3 ASP 32 2HB ASP 32 -8.536 -6.128 -6.629 231 H GLY 33 H GLY 33 -6.588 -5.724 -3.380 232 HA2 GLY 33 1HA GLY 33 -8.747 -7.158 -1.929 233 HA3 GLY 33 2HA GLY 33 -7.090 -7.501 -1.424 234 H THR 34 H THR 34 -7.935 -6.577 0.658 235 HA THR 34 HA THR 34 -7.245 -3.739 0.854 236 HB THR 34 HB THR 34 -9.431 -4.388 2.670 237 HG1 THR 34 1HG THR 34 -10.160 -5.773 1.007 238 HG21 THR 34 3HG2 THR 34 -9.270 -2.388 0.380 239 HG22 THR 34 1HG2 THR 34 -8.786 -2.100 2.066 240 HG23 THR 34 2HG2 THR 34 -10.488 -2.390 1.675 241 H ALA 35 H ALA 35 -6.292 -3.342 2.969 242 HA ALA 35 HA ALA 35 -6.449 -5.381 5.035 243 HB1 ALA 35 1HB ALA 35 -3.738 -4.365 3.960 244 HB2 ALA 35 2HB ALA 35 -4.021 -5.413 5.370 245 HB3 ALA 35 3HB ALA 35 -4.337 -6.026 3.755 246 H ALA 36 H ALA 36 -5.974 -4.299 7.153 247 HA ALA 36 HA ALA 36 -5.886 -1.326 6.923 248 HB1 ALA 36 1HB ALA 36 -6.266 -3.154 9.329 249 HB2 ALA 36 2HB ALA 36 -6.273 -1.377 9.346 250 HB3 ALA 36 3HB ALA 36 -7.537 -2.247 8.455 251 H ILE 37 H ILE 37 -3.980 -0.238 7.626 252 HA ILE 37 HA ILE 37 -1.437 -1.572 7.990 253 HB ILE 37 HB ILE 37 -2.368 1.276 8.597 254 HG12 ILE 37 1HG1 ILE 37 -1.086 -0.026 6.189 255 HG13 ILE 37 2HG1 ILE 37 -2.546 0.894 6.230 256 HG21 ILE 37 1HG2 ILE 37 -0.023 1.928 8.622 257 HG22 ILE 37 2HG2 ILE 37 -0.255 0.730 9.844 258 HG23 ILE 37 3HG2 ILE 37 0.492 0.240 8.321 259 HD11 ILE 37 3HD1 ILE 37 -0.872 2.094 5.026 260 HD12 ILE 37 1HD1 ILE 37 -1.203 2.980 6.517 261 HD13 ILE 37 2HD1 ILE 37 0.274 2.000 6.361 262 H THR 38 H THR 38 -0.291 -1.438 9.966 263 HA THR 38 HA THR 38 -1.814 -1.538 12.482 264 HB THR 38 HB THR 38 -0.642 -3.697 13.104 265 HG1 THR 38 1HG THR 38 0.310 -3.619 10.444 266 HG21 THR 38 3HG2 THR 38 -1.947 -4.090 10.371 267 HG22 THR 38 1HG2 THR 38 -2.853 -3.862 11.879 268 HG23 THR 38 2HG2 THR 38 -1.775 -5.262 11.685 269 H SER 39 H SER 39 1.308 -1.355 10.869 270 HA SER 39 HA SER 39 2.372 0.449 12.944 271 HB2 SER 39 1HB SER 39 3.888 -1.938 11.803 272 HB3 SER 39 2HB SER 39 4.482 -0.781 12.998 273 HG SER 39 HG SER 39 2.897 -1.544 14.440 274 H LEU 40 H LEU 40 3.640 2.047 11.981 275 HA LEU 40 HA LEU 40 4.311 1.803 9.141 276 HB2 LEU 40 1HB LEU 40 1.927 2.916 9.766 277 HB3 LEU 40 2HB LEU 40 2.937 4.328 10.019 278 HG LEU 40 HG LEU 40 2.727 2.618 7.501 279 HD11 LEU 40 1HD1 LEU 40 1.823 5.439 8.119 280 HD12 LEU 40 2HD1 LEU 40 0.762 4.025 7.994 281 HD13 LEU 40 3HD1 LEU 40 1.640 4.603 6.569 282 HD21 LEU 40 3HD2 LEU 40 3.995 4.491 6.376 283 HD22 LEU 40 1HD2 LEU 40 4.968 3.508 7.459 284 HD23 LEU 40 2HD2 LEU 40 4.396 5.127 7.982 285 H LYS 41 H LYS 41 6.414 2.352 9.074 286 HA LYS 41 HA LYS 41 7.505 4.179 11.169 287 HB2 LYS 41 1HB LYS 41 8.092 1.877 11.438 288 HB3 LYS 41 2HB LYS 41 8.676 1.749 9.781 289 HG2 LYS 41 1HG LYS 41 10.600 2.944 10.206 290 HG3 LYS 41 2HG LYS 41 9.962 3.771 11.621 291 HD2 LYS 41 1HD LYS 41 10.461 0.781 11.552 292 HD3 LYS 41 2HD LYS 41 11.699 1.925 12.067 293 HE2 LYS 41 1HE LYS 41 8.957 1.631 13.370 294 HE3 LYS 41 2HE LYS 41 10.434 0.876 13.959 295 HZ1 LYS 41 3HZ LYS 41 9.836 2.973 15.061 296 HZ2 LYS 41 1HZ LYS 41 10.062 3.807 13.693 297 HZ3 LYS 41 2HZ LYS 41 11.344 3.059 14.409 298 H GLY 42 H GLY 42 6.639 4.361 7.998 299 HA2 GLY 42 1HA GLY 42 7.247 6.575 7.036 300 HA3 GLY 42 2HA GLY 42 8.951 6.082 7.210 301 H SER 43 H SER 43 9.849 4.871 5.542 302 HA SER 43 HA SER 43 8.213 3.969 3.313 303 HB2 SER 43 1HB SER 43 10.479 3.100 2.549 304 HB3 SER 43 2HB SER 43 10.354 4.818 2.815 305 HG SER 43 HG SER 43 12.265 3.952 3.877 306 H LEU 44 H LEU 44 7.516 2.748 5.864 307 HA LEU 44 HA LEU 44 7.589 0.003 5.021 308 HB2 LEU 44 1HB LEU 44 9.749 0.261 6.392 309 HB3 LEU 44 2HB LEU 44 8.723 0.434 7.795 310 HG LEU 44 HG LEU 44 7.512 -1.760 6.829 311 HD11 LEU 44 1HD1 LEU 44 8.776 -1.844 4.709 312 HD12 LEU 44 2HD1 LEU 44 9.100 -3.278 5.690 313 HD13 LEU 44 3HD1 LEU 44 10.298 -1.973 5.615 314 HD21 LEU 44 3HD2 LEU 44 8.593 -1.652 8.987 315 HD22 LEU 44 1HD2 LEU 44 10.189 -1.873 8.228 316 HD23 LEU 44 2HD2 LEU 44 8.974 -3.167 8.151 317 H ALA 45 H ALA 45 5.479 -0.406 5.175 318 HA ALA 45 HA ALA 45 4.087 0.181 7.743 319 HB1 ALA 45 1HB ALA 45 2.714 -0.518 5.129 320 HB2 ALA 45 2HB ALA 45 1.968 -0.014 6.643 321 HB3 ALA 45 3HB ALA 45 2.930 1.144 5.711 322 H TRP 46 H TRP 46 2.828 -1.610 8.523 323 HA TRP 46 HA TRP 46 3.266 -4.286 7.302 324 HB2 TRP 46 1HB TRP 46 3.556 -3.445 10.184 325 HB3 TRP 46 2HB TRP 46 2.871 -5.011 9.826 326 HD1 TRP 46 HD TRP 46 6.175 -3.096 9.436 327 HE1 TRP 46 1HE TRP 46 8.097 -4.808 9.093 328 HE3 TRP 46 3HE TRP 46 3.393 -7.353 8.878 329 HZ2 TRP 46 2HZ TRP 46 8.352 -7.602 8.476 330 HZ3 TRP 46 3HZ TRP 46 4.476 -9.482 8.356 331 HH2 TRP 46 HH TRP 46 6.966 -9.639 8.149 332 H LEU 47 H LEU 47 1.382 -5.437 7.021 333 HA LEU 47 HA LEU 47 -1.178 -4.147 7.778 334 HB2 LEU 47 1HB LEU 47 -0.554 -6.030 5.478 335 HB3 LEU 47 2HB LEU 47 -1.997 -5.098 5.751 336 HG LEU 47 HG LEU 47 -1.086 -4.092 4.022 337 HD11 LEU 47 1HD1 LEU 47 -0.618 -1.837 4.604 338 HD12 LEU 47 2HD1 LEU 47 0.144 -2.305 6.138 339 HD13 LEU 47 3HD1 LEU 47 -1.602 -2.483 5.925 340 HD21 LEU 47 3HD2 LEU 47 1.117 -3.603 3.471 341 HD22 LEU 47 1HD2 LEU 47 1.120 -5.233 4.121 342 HD23 LEU 47 2HD2 LEU 47 1.718 -3.902 5.125 343 H GLU 48 H GLU 48 -3.011 -5.605 7.815 344 HA GLU 48 HA GLU 48 -2.461 -8.433 8.609 345 HB2 GLU 48 1HB GLU 48 -3.879 -8.169 10.553 346 HB3 GLU 48 2HB GLU 48 -2.600 -6.948 10.551 347 HG2 GLU 48 1HG GLU 48 -4.266 -5.287 9.665 348 HG3 GLU 48 2HG GLU 48 -5.468 -6.569 9.710 349 H LEU 49 H LEU 49 -3.608 -7.591 6.064 350 HA LEU 49 HA LEU 49 -5.424 -7.670 4.730 351 HB2 LEU 49 1HB LEU 49 -5.177 -10.257 6.152 352 HB3 LEU 49 2HB LEU 49 -6.692 -10.055 5.356 353 HG LEU 49 HG LEU 49 -3.930 -9.997 4.109 354 HD11 LEU 49 1HD1 LEU 49 -4.585 -12.025 3.048 355 HD12 LEU 49 2HD1 LEU 49 -6.311 -11.708 3.355 356 HD13 LEU 49 3HD1 LEU 49 -5.295 -12.178 4.671 357 HD21 LEU 49 3HD2 LEU 49 -5.155 -8.346 2.793 358 HD22 LEU 49 1HD2 LEU 49 -6.598 -9.384 2.743 359 HD23 LEU 49 2HD2 LEU 49 -5.115 -9.850 1.882 360 H PHE 50 H PHE 50 -7.948 -8.489 4.664 361 HA PHE 50 HA PHE 50 -9.380 -7.023 6.794 362 HB2 PHE 50 1HB PHE 50 -8.856 -6.096 4.210 363 HB3 PHE 50 2HB PHE 50 -10.482 -6.726 4.085 364 HD1 PHE 50 1HD PHE 50 -12.180 -5.942 5.794 365 HD2 PHE 50 2HD PHE 50 -8.384 -4.036 5.257 366 HE1 PHE 50 1HE PHE 50 -13.062 -3.878 6.886 367 HE2 PHE 50 2HE PHE 50 -9.251 -1.971 6.252 368 HZ PHE 50 HZ PHE 50 -11.588 -1.883 7.122 369 H GLY 51 H GLY 51 -10.632 -8.547 7.741 370 HA2 GLY 51 1HA GLY 51 -12.484 -9.924 7.912 371 HA3 GLY 51 2HA GLY 51 -12.781 -9.758 6.190 372 H ALA 52 H ALA 52 -12.597 -11.699 5.161 373 HA ALA 52 HA ALA 52 -10.647 -13.751 6.120 374 HB1 ALA 52 1HB ALA 52 -12.440 -15.455 5.901 375 HB2 ALA 52 2HB ALA 52 -12.799 -14.264 7.171 376 HB3 ALA 52 3HB ALA 52 -13.616 -14.161 5.591 377 H GLU 53 H GLU 53 -11.344 -11.836 3.651 378 HA GLU 53 HA GLU 53 -10.940 -13.822 1.481 379 HB2 GLU 53 1HB GLU 53 -11.202 -10.797 1.587 380 HB3 GLU 53 2HB GLU 53 -10.546 -11.626 0.159 381 HG2 GLU 53 1HG GLU 53 -12.545 -12.790 -0.282 382 HG3 GLU 53 2HG GLU 53 -13.196 -12.500 1.325 383 H GLN 54 H GLN 54 -8.883 -13.806 0.290 384 HA GLN 54 HA GLN 54 -6.533 -12.579 1.398 385 HB2 GLN 54 1HB GLN 54 -5.429 -14.792 1.921 386 HB3 GLN 54 2HB GLN 54 -6.744 -14.414 3.030 387 HG2 GLN 54 1HG GLN 54 -8.255 -15.942 1.827 388 HG3 GLN 54 2HG GLN 54 -7.034 -16.221 0.585 389 HE21 GLN 54 1HE2 GLN 54 -5.886 -16.232 4.016 390 HE22 GLN 54 2HE2 GLN 54 -5.840 -17.978 4.068 391 HA PRO 55 HA PRO 55 -5.459 -13.594 -2.805 392 HB2 PRO 55 1HB PRO 55 -2.680 -13.737 -2.726 393 HB3 PRO 55 2HB PRO 55 -3.624 -12.229 -2.802 394 HG2 PRO 55 1HG PRO 55 -2.259 -13.491 -0.469 395 HG3 PRO 55 2HG PRO 55 -2.587 -11.757 -0.805 396 HD2 PRO 55 1HD PRO 55 -3.982 -13.427 0.947 397 HD3 PRO 55 2HD PRO 55 -4.558 -11.849 0.351 398 HA PRO 56 HA PRO 56 -4.705 -17.989 -3.056 399 HB2 PRO 56 1HB PRO 56 -3.081 -18.211 -5.347 400 HB3 PRO 56 2HB PRO 56 -4.859 -18.038 -5.329 401 HG2 PRO 56 1HG PRO 56 -2.750 -15.911 -5.668 402 HG3 PRO 56 2HG PRO 56 -4.266 -16.095 -6.595 403 HD2 PRO 56 1HD PRO 56 -4.001 -14.301 -4.605 404 HD3 PRO 56 2HD PRO 56 -5.528 -15.190 -4.829 405 HA PRO 57 HA PRO 57 -0.857 -18.854 -1.066 406 HB2 PRO 57 1HB PRO 57 -0.436 -21.531 -1.602 407 HB3 PRO 57 2HB PRO 57 -1.723 -20.938 -0.487 408 HG2 PRO 57 1HG PRO 57 -1.975 -21.714 -3.397 409 HG3 PRO 57 2HG PRO 57 -3.033 -22.174 -2.020 410 HD2 PRO 57 1HD PRO 57 -3.684 -20.138 -3.696 411 HD3 PRO 57 2HD PRO 57 -4.038 -20.055 -1.940 412 H ASN 58 H ASN 58 1.364 -19.443 -1.412 413 HA ASN 58 HA ASN 58 3.358 -19.171 -2.403 414 HB2 ASN 58 1HB ASN 58 1.967 -20.839 -4.497 415 HB3 ASN 58 2HB ASN 58 3.624 -20.309 -4.724 416 HD21 ASN 58 1HD2 ASN 58 3.064 -22.915 -4.712 417 HD22 ASN 58 2HD2 ASN 58 3.994 -23.655 -3.423 418 H THR 59 H THR 59 0.854 -17.330 -3.409 419 HA THR 59 HA THR 59 2.059 -16.386 -5.915 420 HB THR 59 HB THR 59 -0.621 -15.758 -4.625 421 HG1 THR 59 1HG THR 59 -0.364 -17.970 -5.237 422 HG21 THR 59 3HG2 THR 59 -1.213 -15.130 -6.980 423 HG22 THR 59 1HG2 THR 59 0.518 -15.184 -7.377 424 HG23 THR 59 2HG2 THR 59 -0.090 -14.059 -6.140 425 H LEU 60 H LEU 60 1.194 -15.069 -2.658 426 HA LEU 60 HA LEU 60 2.408 -12.498 -3.258 427 HB2 LEU 60 1HB LEU 60 1.572 -13.921 -0.718 428 HB3 LEU 60 2HB LEU 60 2.691 -12.571 -0.624 429 HG LEU 60 HG LEU 60 -0.030 -12.446 -1.916 430 HD11 LEU 60 1HD1 LEU 60 -0.720 -11.037 -0.057 431 HD12 LEU 60 2HD1 LEU 60 0.846 -11.228 0.711 432 HD13 LEU 60 3HD1 LEU 60 -0.216 -12.641 0.526 433 HD21 LEU 60 3HD2 LEU 60 1.974 -10.215 -1.307 434 HD22 LEU 60 1HD2 LEU 60 0.315 -9.959 -1.836 435 HD23 LEU 60 2HD2 LEU 60 1.445 -10.717 -2.935 436 H SER 61 H SER 61 4.484 -11.814 -2.933 437 HA SER 61 HA SER 61 6.478 -13.680 -1.868 438 HB2 SER 61 1HB SER 61 6.778 -12.254 -4.532 439 HB3 SER 61 2HB SER 61 7.892 -13.383 -3.817 440 HG SER 61 HG SER 61 5.901 -14.834 -3.850 441 H GLU 62 H GLU 62 8.519 -12.466 -1.560 442 HA GLU 62 HA GLU 62 7.757 -10.194 0.012 443 HB2 GLU 62 1HB GLU 62 10.596 -11.117 -0.447 444 HB3 GLU 62 2HB GLU 62 9.926 -10.233 0.937 445 HG2 GLU 62 1HG GLU 62 8.378 -12.328 1.208 446 HG3 GLU 62 2HG GLU 62 9.539 -13.129 0.168 447 H GLY 63 H GLY 63 8.456 -10.208 -3.123 448 HA2 GLY 63 1HA GLY 63 9.244 -7.364 -3.264 449 HA3 GLY 63 2HA GLY 63 10.193 -8.540 -4.191 450 H ALA 64 H ALA 64 6.701 -8.906 -3.497 451 HA ALA 64 HA ALA 64 5.925 -8.885 -6.314 452 HB1 ALA 64 1HB ALA 64 4.170 -8.453 -3.843 453 HB2 ALA 64 2HB ALA 64 3.673 -8.938 -5.458 454 HB3 ALA 64 3HB ALA 64 4.605 -10.062 -4.456 455 H GLU 65 H GLU 65 5.608 -7.017 -7.493 456 HA GLU 65 HA GLU 65 5.840 -4.410 -6.220 457 HB2 GLU 65 1HB GLU 65 5.375 -3.483 -8.396 458 HB3 GLU 65 2HB GLU 65 6.723 -4.607 -8.472 459 HG2 GLU 65 1HG GLU 65 5.372 -6.290 -9.557 460 HG3 GLU 65 2HG GLU 65 3.895 -5.360 -9.274 461 H VAL 66 H VAL 66 4.264 -3.255 -5.708 462 HA VAL 66 HA VAL 66 1.450 -4.067 -6.071 463 HB VAL 66 HB VAL 66 1.112 -3.921 -3.671 464 HG11 VAL 66 1HG1 VAL 66 1.778 -6.158 -3.108 465 HG12 VAL 66 2HG1 VAL 66 1.495 -6.122 -4.863 466 HG13 VAL 66 3HG1 VAL 66 3.136 -6.123 -4.240 467 HG21 VAL 66 3HG2 VAL 66 3.277 -2.732 -3.101 468 HG22 VAL 66 1HG2 VAL 66 2.772 -4.051 -2.019 469 HG23 VAL 66 2HG2 VAL 66 4.073 -4.295 -3.215 470 H SER 67 H SER 67 -0.022 -2.174 -5.455 471 HA SER 67 HA SER 67 1.410 0.423 -5.392 472 HB2 SER 67 1HB SER 67 -1.058 0.627 -6.799 473 HB3 SER 67 2HB SER 67 0.594 0.974 -7.296 474 HG SER 67 HG SER 67 0.820 -0.980 -8.202 475 H VAL 68 H VAL 68 0.256 2.190 -4.381 476 HA VAL 68 HA VAL 68 -1.936 1.374 -2.592 477 HB VAL 68 HB VAL 68 -0.653 2.989 -0.952 478 HG11 VAL 68 1HG1 VAL 68 -0.079 0.041 -1.251 479 HG12 VAL 68 2HG1 VAL 68 0.224 0.998 0.204 480 HG13 VAL 68 3HG1 VAL 68 -1.434 0.806 -0.409 481 HG21 VAL 68 3HG2 VAL 68 1.287 3.460 -2.399 482 HG22 VAL 68 1HG2 VAL 68 1.727 2.711 -0.859 483 HG23 VAL 68 2HG2 VAL 68 1.776 1.761 -2.350 484 H SER 69 H SER 69 -3.621 2.689 -2.693 485 HA SER 69 HA SER 69 -3.253 5.405 -3.783 486 HB2 SER 69 1HB SER 69 -5.287 3.630 -5.049 487 HB3 SER 69 2HB SER 69 -4.407 5.085 -5.634 488 HG SER 69 HG SER 69 -3.753 2.349 -5.719 489 H VAL 70 H VAL 70 -4.185 6.419 -2.012 490 HA VAL 70 HA VAL 70 -6.836 5.459 -1.045 491 HB VAL 70 HB VAL 70 -5.148 4.596 0.479 492 HG11 VAL 70 1HG1 VAL 70 -3.856 5.974 1.943 493 HG12 VAL 70 2HG1 VAL 70 -3.420 6.382 0.272 494 HG13 VAL 70 3HG1 VAL 70 -4.470 7.468 1.197 495 HG21 VAL 70 3HG2 VAL 70 -6.172 5.376 2.550 496 HG22 VAL 70 1HG2 VAL 70 -6.859 6.785 1.714 497 HG23 VAL 70 2HG2 VAL 70 -7.398 5.147 1.288 498 H TRP 71 H TRP 71 -8.224 7.033 -0.315 499 HA TRP 71 HA TRP 71 -7.685 9.718 -1.414 500 HB2 TRP 71 1HB TRP 71 -10.132 8.000 -0.862 501 HB3 TRP 71 2HB TRP 71 -10.249 9.730 -1.082 502 HD1 TRP 71 HD TRP 71 -9.648 6.536 -3.106 503 HE1 TRP 71 1HE TRP 71 -9.545 7.131 -5.648 504 HE3 TRP 71 3HE TRP 71 -9.461 11.593 -2.763 505 HZ2 TRP 71 2HZ TRP 71 -9.510 9.524 -7.260 506 HZ3 TRP 71 3HZ TRP 71 -9.728 13.018 -4.774 507 HH2 TRP 71 HH TRP 71 -9.801 12.019 -6.997 508 H THR 72 H THR 72 -6.683 10.962 0.244 509 HA THR 72 HA THR 72 -8.119 11.203 2.773 510 HB THR 72 HB THR 72 -6.655 9.137 2.911 511 HG1 THR 72 1HG THR 72 -6.189 9.536 4.971 512 HG21 THR 72 3HG2 THR 72 -4.305 9.318 3.130 513 HG22 THR 72 1HG2 THR 72 -4.351 11.096 3.128 514 HG23 THR 72 2HG2 THR 72 -4.695 10.172 1.642 515 H GLY 73 H GLY 73 -7.297 13.102 4.047 516 HA2 GLY 73 1HA GLY 73 -6.597 15.265 4.172 517 HA3 GLY 73 2HA GLY 73 -5.202 14.794 3.201 518 H GLY 74 H GLY 74 -8.684 14.830 2.343 519 HA2 GLY 74 1HA GLY 74 -9.866 15.890 0.704 520 HA3 GLY 74 2HA GLY 74 -8.648 17.166 0.755 521 H ALA 75 H ALA 75 -7.051 14.222 -0.078 522 HA ALA 75 HA ALA 75 -7.512 14.638 -2.943 523 HB1 ALA 75 1HB ALA 75 -5.021 14.865 -3.278 524 HB2 ALA 75 2HB ALA 75 -5.719 16.197 -2.360 525 HB3 ALA 75 3HB ALA 75 -4.840 14.916 -1.510 526 H LEU 76 H LEU 76 -5.964 13.102 -4.221 527 HA LEU 76 HA LEU 76 -6.242 10.398 -3.032 528 HB2 LEU 76 1HB LEU 76 -7.363 10.858 -5.184 529 HB3 LEU 76 2HB LEU 76 -5.830 11.219 -5.911 530 HG LEU 76 HG LEU 76 -7.086 8.833 -6.014 531 HD11 LEU 76 1HD1 LEU 76 -5.363 9.517 -7.387 532 HD12 LEU 76 2HD1 LEU 76 -5.077 7.867 -6.832 533 HD13 LEU 76 3HD1 LEU 76 -4.135 9.224 -6.112 534 HD21 LEU 76 3HD2 LEU 76 -5.136 8.147 -3.864 535 HD22 LEU 76 1HD2 LEU 76 -6.247 7.096 -4.755 536 HD23 LEU 76 2HD2 LEU 76 -6.897 8.302 -3.641 537 H CYS 77 H CYS 77 -4.555 9.593 -2.315 538 HA CYS 77 HA CYS 77 -1.772 10.547 -2.842 539 HB2 CYS 77 1HB CYS 77 -2.217 10.598 -0.459 540 HB3 CYS 77 2HB CYS 77 -3.185 9.164 -0.556 541 HG CYS 77 HG CYS 77 -1.519 7.423 -1.056 542 H ARG 78 H ARG 78 -0.935 9.296 -4.472 543 HA ARG 78 HA ARG 78 -1.381 6.414 -4.178 544 HB2 ARG 78 1HB ARG 78 -2.948 7.018 -5.866 545 HB3 ARG 78 2HB ARG 78 -1.753 7.880 -6.811 546 HG2 ARG 78 1HG ARG 78 -1.365 4.948 -6.132 547 HG3 ARG 78 2HG ARG 78 -2.455 5.424 -7.416 548 HD2 ARG 78 1HD ARG 78 -0.105 6.859 -8.027 549 HD3 ARG 78 2HD ARG 78 0.502 5.347 -7.372 550 HE ARG 78 HE ARG 78 -0.129 4.273 -9.243 551 HH11 ARG 78 1HH1 ARG 78 -2.034 7.213 -9.079 552 HH12 ARG 78 2HH1 ARG 78 -2.787 7.044 -10.632 553 HH21 ARG 78 1HH2 ARG 78 -1.250 3.884 -11.234 554 HH22 ARG 78 2HH2 ARG 78 -2.435 4.993 -11.804 555 H CYS 79 H CYS 79 0.439 5.313 -4.060 556 HA CYS 79 HA CYS 79 2.796 6.378 -5.511 557 HB2 CYS 79 1HB CYS 79 2.799 7.009 -3.076 558 HB3 CYS 79 2HB CYS 79 2.991 5.341 -2.633 559 HG CYS 79 HG CYS 79 5.276 4.943 -3.902 560 H ASP 80 H ASP 80 4.513 4.670 -5.568 561 HA ASP 80 HA ASP 80 3.320 2.009 -6.164 562 HB2 ASP 80 1HB ASP 80 5.749 3.476 -7.287 563 HB3 ASP 80 2HB ASP 80 5.283 1.839 -7.724 564 H GLY 81 H GLY 81 4.711 0.163 -5.551 565 HA2 GLY 81 1HA GLY 81 7.018 0.465 -3.806 566 HA3 GLY 81 2HA GLY 81 5.512 0.209 -2.948 567 H ARG 82 H ARG 82 7.128 -1.631 -2.385 568 HA ARG 82 HA ARG 82 6.156 -3.986 -3.803 569 HB2 ARG 82 1HB ARG 82 9.098 -4.033 -3.198 570 HB3 ARG 82 2HB ARG 82 8.105 -5.121 -4.144 571 HG2 ARG 82 1HG ARG 82 9.205 -4.141 -5.812 572 HG3 ARG 82 2HG ARG 82 7.848 -3.044 -5.765 573 HD2 ARG 82 1HD ARG 82 9.180 -1.273 -5.148 574 HD3 ARG 82 2HD ARG 82 10.038 -2.216 -3.929 575 HE ARG 82 HE ARG 82 10.742 -1.832 -6.737 576 HH11 ARG 82 1HH1 ARG 82 11.779 -3.342 -3.638 577 HH12 ARG 82 2HH1 ARG 82 12.871 -4.427 -4.374 578 HH21 ARG 82 1HH2 ARG 82 12.436 -3.094 -7.659 579 HH22 ARG 82 2HH2 ARG 82 13.366 -4.189 -6.688 580 H VAL 83 H VAL 83 6.484 -6.022 -2.422 581 HA VAL 83 HA VAL 83 5.426 -5.559 0.085 582 HB VAL 83 HB VAL 83 6.603 -7.967 -1.253 583 HG11 VAL 83 1HG1 VAL 83 6.878 -8.427 1.152 584 HG12 VAL 83 2HG1 VAL 83 5.186 -7.980 1.444 585 HG13 VAL 83 3HG1 VAL 83 5.600 -9.411 0.457 586 HG21 VAL 83 3HG2 VAL 83 3.750 -7.188 -0.502 587 HG22 VAL 83 1HG2 VAL 83 4.469 -6.984 -2.107 588 HG23 VAL 83 2HG2 VAL 83 4.242 -8.611 -1.436 589 H GLU 84 H GLU 84 8.803 -6.273 -0.527 590 HA GLU 84 HA GLU 84 10.726 -5.697 0.608 591 HB2 GLU 84 1HB GLU 84 9.187 -3.805 1.619 592 HB3 GLU 84 2HB GLU 84 9.175 -4.790 3.042 593 HG2 GLU 84 1HG GLU 84 11.705 -3.868 1.611 594 HG3 GLU 84 2HG GLU 84 10.907 -2.904 2.854 595 H THR 85 H THR 85 8.320 -6.879 2.997 596 HA THR 85 HA THR 85 9.856 -9.388 3.286 597 HB THR 85 HB THR 85 9.016 -7.585 5.606 598 HG1 THR 85 1HG THR 85 10.964 -6.832 4.715 599 HG21 THR 85 3HG2 THR 85 10.463 -10.268 5.590 600 HG22 THR 85 1HG2 THR 85 8.820 -9.975 6.195 601 HG23 THR 85 2HG2 THR 85 10.208 -9.250 7.025 602 H LEU 86 H LEU 86 8.467 -11.066 3.499 603 HA LEU 86 HA LEU 86 5.568 -10.513 3.983 604 HB2 LEU 86 1HB LEU 86 6.313 -11.501 1.666 605 HB3 LEU 86 2HB LEU 86 6.627 -12.967 2.573 606 HG LEU 86 HG LEU 86 4.074 -12.430 3.424 607 HD11 LEU 86 1HD1 LEU 86 2.761 -11.510 1.639 608 HD12 LEU 86 2HD1 LEU 86 4.174 -11.420 0.547 609 HD13 LEU 86 3HD1 LEU 86 4.067 -10.365 1.943 610 HD21 LEU 86 3HD2 LEU 86 4.722 -14.566 2.416 611 HD22 LEU 86 1HD2 LEU 86 4.734 -13.824 0.792 612 HD23 LEU 86 2HD2 LEU 86 3.215 -13.968 1.708 613 H ARG 87 H ARG 87 4.536 -12.176 5.355 614 HA ARG 87 HA ARG 87 6.427 -13.784 6.979 615 HB2 ARG 87 1HB ARG 87 6.346 -11.970 8.355 616 HB3 ARG 87 2HB ARG 87 4.711 -11.515 7.877 617 HG2 ARG 87 1HG ARG 87 3.711 -13.226 9.226 618 HG3 ARG 87 2HG ARG 87 5.301 -13.937 9.613 619 HD2 ARG 87 1HD ARG 87 5.946 -12.026 10.859 620 HD3 ARG 87 2HD ARG 87 4.620 -11.038 10.237 621 HE ARG 87 HE ARG 87 3.096 -12.737 11.381 622 HH11 ARG 87 1HH1 ARG 87 6.354 -12.008 12.704 623 HH12 ARG 87 2HH1 ARG 87 5.833 -12.365 14.321 624 HH21 ARG 87 1HH2 ARG 87 2.472 -12.984 13.620 625 HH22 ARG 87 2HH2 ARG 87 3.641 -12.641 14.853 626 H ASP 88 H ASP 88 2.972 -13.029 6.479 627 HA ASP 88 HA ASP 88 2.452 -15.927 6.191 628 HB2 ASP 88 1HB ASP 88 0.556 -13.885 7.443 629 HB3 ASP 88 2HB ASP 88 0.120 -15.497 6.962 630 H ASP 89 H ASP 89 0.574 -16.122 4.745 631 HA ASP 89 HA ASP 89 0.527 -14.385 2.474 632 HB2 ASP 89 1HB ASP 89 -1.363 -16.549 3.453 633 HB3 ASP 89 2HB ASP 89 -1.648 -15.663 1.964 634 H ARG 90 H ARG 90 -0.683 -13.850 5.548 635 HA ARG 90 HA ARG 90 -2.615 -11.826 4.569 636 HB2 ARG 90 1HB ARG 90 -3.820 -11.959 6.650 637 HB3 ARG 90 2HB ARG 90 -3.932 -13.429 5.659 638 HG2 ARG 90 1HG ARG 90 -2.881 -14.750 7.092 639 HG3 ARG 90 2HG ARG 90 -1.836 -13.509 7.783 640 HD2 ARG 90 1HD ARG 90 -3.373 -12.791 9.316 641 HD3 ARG 90 2HD ARG 90 -4.747 -13.083 8.242 642 HE ARG 90 HE ARG 90 -3.571 -15.540 9.224 643 HH11 ARG 90 1HH1 ARG 90 -5.607 -12.815 10.195 644 HH12 ARG 90 2HH1 ARG 90 -6.914 -13.810 10.740 645 HH21 ARG 90 1HH2 ARG 90 -5.128 -16.864 10.326 646 HH22 ARG 90 2HH2 ARG 90 -6.429 -16.159 11.220 647 H GLN 91 H GLN 91 0.406 -12.169 6.248 648 HA GLN 91 HA GLN 91 0.049 -9.496 7.460 649 HB2 GLN 91 1HB GLN 91 1.441 -11.870 8.721 650 HB3 GLN 91 2HB GLN 91 1.471 -10.222 9.311 651 HG2 GLN 91 1HG GLN 91 -0.987 -10.289 9.680 652 HG3 GLN 91 2HG GLN 91 -1.019 -11.955 9.126 653 HE21 GLN 91 1HE2 GLN 91 1.328 -10.312 11.442 654 HE22 GLN 91 2HE2 GLN 91 0.950 -11.438 12.723 655 H PHE 92 H PHE 92 1.503 -8.287 6.637 656 HA PHE 92 HA PHE 92 4.213 -9.131 5.960 657 HB2 PHE 92 1HB PHE 92 3.980 -8.751 3.494 658 HB3 PHE 92 2HB PHE 92 3.260 -10.217 4.119 659 HD1 PHE 92 2HD PHE 92 2.458 -6.820 2.832 660 HD2 PHE 92 1HD PHE 92 0.955 -10.746 3.782 661 HE1 PHE 92 2HE PHE 92 0.380 -6.281 1.656 662 HE2 PHE 92 1HE PHE 92 -1.160 -10.213 2.596 663 HZ PHE 92 HZ PHE 92 -1.464 -7.976 1.539 664 H ALA 93 H ALA 93 5.365 -7.404 4.641 665 HA ALA 93 HA ALA 93 4.621 -4.797 5.767 666 HB1 ALA 93 1HB ALA 93 6.957 -4.205 5.411 667 HB2 ALA 93 2HB ALA 93 6.878 -5.749 6.273 668 HB3 ALA 93 3HB ALA 93 7.249 -5.728 4.541 669 H ILE 94 H ILE 94 5.483 -2.949 4.271 670 HA ILE 94 HA ILE 94 5.804 -3.610 1.473 671 HB ILE 94 HB ILE 94 4.491 -1.424 0.923 672 HG12 ILE 94 1HG1 ILE 94 2.827 -2.199 3.319 673 HG13 ILE 94 2HG1 ILE 94 3.886 -0.796 3.208 674 HG21 ILE 94 1HG2 ILE 94 2.608 -2.695 0.146 675 HG22 ILE 94 2HG2 ILE 94 4.035 -3.741 0.081 676 HG23 ILE 94 3HG2 ILE 94 2.845 -3.939 1.384 677 HD11 ILE 94 3HD1 ILE 94 2.552 0.089 1.324 678 HD12 ILE 94 1HD1 ILE 94 1.436 -1.287 1.476 679 HD13 ILE 94 2HD1 ILE 94 1.594 -0.123 2.802 680 H ARG 95 H ARG 95 7.488 -2.220 0.633 681 HA ARG 95 HA ARG 95 8.097 0.250 2.180 682 HB2 ARG 95 1HB ARG 95 10.201 -0.022 1.802 683 HB3 ARG 95 2HB ARG 95 9.826 -1.658 1.483 684 HG2 ARG 95 1HG ARG 95 11.004 -1.288 -0.406 685 HG3 ARG 95 2HG ARG 95 9.357 -0.848 -0.944 686 HD2 ARG 95 1HD ARG 95 10.262 1.191 -1.471 687 HD3 ARG 95 2HD ARG 95 10.265 1.477 0.278 688 HE ARG 95 HE ARG 95 12.673 0.123 -0.544 689 HH11 ARG 95 1HH1 ARG 95 11.163 3.387 -0.713 690 HH12 ARG 95 2HH1 ARG 95 12.686 4.157 -0.990 691 HH21 ARG 95 1HH2 ARG 95 14.609 1.200 -0.667 692 HH22 ARG 95 2HH2 ARG 95 14.704 2.928 -0.738 693 H LEU 96 H LEU 96 8.365 2.107 0.870 694 HA LEU 96 HA LEU 96 6.493 2.235 -1.455 695 HB2 LEU 96 1HB LEU 96 7.200 4.232 0.743 696 HB3 LEU 96 2HB LEU 96 6.096 4.548 -0.607 697 HG LEU 96 HG LEU 96 5.710 2.565 1.686 698 HD11 LEU 96 1HD1 LEU 96 4.027 4.978 0.961 699 HD12 LEU 96 2HD1 LEU 96 5.301 4.951 2.208 700 HD13 LEU 96 3HD1 LEU 96 3.878 3.925 2.375 701 HD21 LEU 96 3HD2 LEU 96 4.716 1.502 -0.232 702 HD22 LEU 96 1HD2 LEU 96 4.000 3.031 -0.783 703 HD23 LEU 96 2HD2 LEU 96 3.412 2.223 0.699 704 H VAL 97 H VAL 97 7.478 3.092 -3.360 705 HA VAL 97 HA VAL 97 10.354 3.845 -3.051 706 HB VAL 97 HB VAL 97 10.624 3.093 -5.389 707 HG11 VAL 97 1HG1 VAL 97 11.215 1.642 -3.474 708 HG12 VAL 97 2HG1 VAL 97 9.615 0.867 -3.580 709 HG13 VAL 97 3HG1 VAL 97 10.775 0.742 -4.926 710 HG21 VAL 97 3HG2 VAL 97 7.948 1.690 -5.123 711 HG22 VAL 97 1HG2 VAL 97 8.196 3.160 -6.092 712 HG23 VAL 97 2HG2 VAL 97 9.056 1.667 -6.498 713 H GLY 98 H GLY 98 11.144 5.607 -4.227 714 HA2 GLY 98 1HA GLY 98 11.229 7.373 -5.595 715 HA3 GLY 98 2HA GLY 98 9.564 7.077 -6.151 716 H ARG 99 H ARG 99 8.044 8.234 -5.360 717 HA ARG 99 HA ARG 99 7.761 9.064 -2.680 718 HB2 ARG 99 1HB ARG 99 9.547 10.732 -3.656 719 HB3 ARG 99 2HB ARG 99 8.202 11.333 -4.607 720 HG2 ARG 99 1HG ARG 99 7.192 11.290 -1.960 721 HG3 ARG 99 2HG ARG 99 8.890 11.773 -1.763 722 HD2 ARG 99 1HD ARG 99 8.625 13.549 -3.400 723 HD3 ARG 99 2HD ARG 99 7.027 12.937 -3.842 724 HE ARG 99 HE ARG 99 7.497 13.791 -1.055 725 HH11 ARG 99 1HH1 ARG 99 5.956 14.497 -4.160 726 HH12 ARG 99 2HH1 ARG 99 5.181 15.960 -3.641 727 HH21 ARG 99 1HH2 ARG 99 6.220 15.551 -0.262 728 HH22 ARG 99 2HH2 ARG 99 5.300 16.526 -1.369 729 H VAL 100 H VAL 100 5.664 9.444 -2.378 730 HA VAL 100 HA VAL 100 3.580 9.457 -4.344 731 HB VAL 100 HB VAL 100 2.996 8.655 -2.064 732 HG11 VAL 100 1HG1 VAL 100 3.250 9.584 -0.126 733 HG12 VAL 100 2HG1 VAL 100 4.695 9.265 -0.961 734 HG13 VAL 100 3HG1 VAL 100 4.195 10.978 -0.863 735 HG21 VAL 100 3HG2 VAL 100 1.082 9.666 -1.458 736 HG22 VAL 100 1HG2 VAL 100 1.408 11.036 -2.529 737 HG23 VAL 100 2HG2 VAL 100 1.141 9.413 -3.175 738 H ARG 101 H ARG 101 2.119 11.133 -4.796 739 HA ARG 101 HA ARG 101 2.633 13.879 -4.042 740 HB2 ARG 101 1HB ARG 101 3.938 13.662 -6.081 741 HB3 ARG 101 2HB ARG 101 2.686 12.715 -6.859 742 HG2 ARG 101 1HG ARG 101 1.532 15.288 -6.204 743 HG3 ARG 101 2HG ARG 101 3.133 15.554 -6.881 744 HD2 ARG 101 1HD ARG 101 2.506 13.931 -8.749 745 HD3 ARG 101 2HD ARG 101 0.837 13.961 -8.126 746 HE ARG 101 HE ARG 101 1.596 16.615 -8.403 747 HH11 ARG 101 1HH1 ARG 101 1.780 13.928 -10.708 748 HH12 ARG 101 2HH1 ARG 101 1.161 14.849 -12.046 749 HH21 ARG 101 1HH2 ARG 101 0.803 17.832 -10.145 750 HH22 ARG 101 2HH2 ARG 101 0.761 17.167 -11.751 751 H GLU 102 H GLU 102 0.528 15.018 -4.298 752 HA GLU 102 HA GLU 102 -1.859 13.336 -4.152 753 HB2 GLU 102 1HB GLU 102 -1.492 16.327 -4.620 754 HB3 GLU 102 2HB GLU 102 -3.037 15.537 -4.350 755 HG2 GLU 102 1HG GLU 102 -2.580 15.202 -2.038 756 HG3 GLU 102 2HG GLU 102 -0.837 15.372 -2.267 757 H LEU 103 H LEU 103 -2.525 12.356 -5.994 758 HA LEU 103 HA LEU 103 -1.781 13.572 -8.633 759 HB2 LEU 103 1HB LEU 103 -2.438 10.749 -7.816 760 HB3 LEU 103 2HB LEU 103 -2.117 11.263 -9.480 761 HG LEU 103 HG LEU 103 -0.039 12.010 -7.465 762 HD11 LEU 103 1HD1 LEU 103 1.022 9.786 -7.613 763 HD12 LEU 103 2HD1 LEU 103 -0.424 9.161 -8.447 764 HD13 LEU 103 3HD1 LEU 103 -0.519 9.761 -6.768 765 HD21 LEU 103 3HD2 LEU 103 0.108 12.585 -9.892 766 HD22 LEU 103 1HD2 LEU 103 0.225 10.846 -10.250 767 HD23 LEU 103 2HD2 LEU 103 1.462 11.633 -9.235 768 H GLN 104 H GLN 104 -4.428 13.569 -6.670 769 HA GLN 104 HA GLN 104 -6.050 14.736 -8.634 770 HB2 GLN 104 1HB GLN 104 -6.702 11.912 -7.831 771 HB3 GLN 104 2HB GLN 104 -7.997 13.067 -7.589 772 HG2 GLN 104 1HG GLN 104 -7.712 13.770 -10.014 773 HG3 GLN 104 2HG GLN 104 -6.667 12.366 -10.212 774 HE21 GLN 104 1HE2 GLN 104 -9.972 13.460 -9.950 775 HE22 GLN 104 2HE2 GLN 104 -10.724 11.893 -9.978 776 H ARG 105 H ARG 105 -8.188 15.515 -7.399 777 HA ARG 105 HA ARG 105 -7.687 15.697 -4.508 778 HB2 ARG 105 1HB ARG 105 -8.400 18.020 -6.302 779 HB3 ARG 105 2HB ARG 105 -8.714 17.975 -4.561 780 HG2 ARG 105 1HG ARG 105 -6.217 17.370 -4.263 781 HG3 ARG 105 2HG ARG 105 -5.991 17.902 -5.931 782 HD2 ARG 105 1HD ARG 105 -7.267 19.535 -3.705 783 HD3 ARG 105 2HD ARG 105 -5.575 19.637 -4.118 784 HE ARG 105 HE ARG 105 -7.890 20.546 -5.753 785 HH11 ARG 105 1HH1 ARG 105 -4.314 20.634 -5.244 786 HH12 ARG 105 2HH1 ARG 105 -4.141 21.985 -6.335 787 HH21 ARG 105 1HH2 ARG 105 -7.561 22.218 -7.151 788 HH22 ARG 105 2HH2 ARG 105 -5.990 22.945 -7.361 789 H ARG 106 H ARG 106 -9.769 16.161 -3.303 790 HA ARG 106 HA ARG 106 -12.126 14.986 -4.710 791 HB2 ARG 106 1HB ARG 106 -11.055 13.437 -2.927 792 HB3 ARG 106 2HB ARG 106 -11.557 14.642 -1.739 793 HG2 ARG 106 1HG ARG 106 -13.900 14.480 -2.896 794 HG3 ARG 106 2HG ARG 106 -13.264 13.022 -3.677 795 HD2 ARG 106 1HD ARG 106 -13.091 11.895 -1.539 796 HD3 ARG 106 2HD ARG 106 -13.325 13.418 -0.664 797 HE ARG 106 HE ARG 106 -15.514 12.540 -2.455 798 HH11 ARG 106 1HH1 ARG 106 -14.397 12.584 0.954 799 HH12 ARG 106 2HH1 ARG 106 -16.008 12.653 1.573 800 HH21 ARG 106 1HH2 ARG 106 -17.601 12.736 -1.608 801 HH22 ARG 106 2HH2 ARG 106 -17.844 12.897 0.084 802 H GLU 107 H GLU 107 -13.009 16.811 -5.287 803 HA GLU 107 HA GLU 107 -14.248 18.429 -3.138 804 HB2 GLU 107 1HB GLU 107 -12.591 19.861 -4.289 805 HB3 GLU 107 2HB GLU 107 -13.155 19.280 -5.839 806 HG2 GLU 107 1HG GLU 107 -15.473 20.322 -5.100 807 HG3 GLU 107 2HG GLU 107 -14.517 21.186 -3.897 808 H TYR 108 H TYR 108 -16.166 17.335 -3.145 809 HA TYR 108 HA TYR 108 -17.726 17.348 -5.649 810 HB2 TYR 108 1HB TYR 108 -17.447 14.854 -3.939 811 HB3 TYR 108 2HB TYR 108 -18.697 15.103 -5.143 812 HD1 TYR 108 2HD TYR 108 -18.015 15.651 -7.594 813 HD2 TYR 108 1HD TYR 108 -15.534 13.686 -4.671 814 HE1 TYR 108 2HE TYR 108 -16.774 14.531 -9.415 815 HE2 TYR 108 1HE TYR 108 -14.264 12.562 -6.496 816 HH TYR 108 HH TYR 108 -14.926 13.125 -9.959 817 H PHE 109 H PHE 109 -17.667 18.979 -3.169 818 HA PHE 109 HA PHE 109 -20.358 18.489 -2.032 819 HB2 PHE 109 1HB PHE 109 -19.140 19.841 -0.048 820 HB3 PHE 109 2HB PHE 109 -19.262 18.105 -0.074 821 HD1 PHE 109 2HD PHE 109 -17.030 20.932 -1.083 822 HD2 PHE 109 1HD PHE 109 -17.222 16.795 0.132 823 HE1 PHE 109 2HE PHE 109 -14.589 20.863 -0.922 824 HE2 PHE 109 1HE PHE 109 -14.782 16.692 0.205 825 HZ PHE 109 HZ PHE 109 -13.422 18.700 -0.357 Start of MODEL 8 1 H1 GLY 1 H GLY 1 6.444 23.103 3.317 2 HA2 GLY 1 1HA GLY 1 7.036 20.964 1.351 3 HA3 GLY 1 2HA GLY 1 7.656 22.623 1.257 4 H MET 2 H MET 2 9.016 23.339 3.225 5 HA MET 2 HA MET 2 10.607 23.122 4.758 6 HB2 MET 2 1HB MET 2 8.532 21.362 5.553 7 HB3 MET 2 2HB MET 2 9.994 20.445 5.804 8 HG2 MET 2 1HG MET 2 9.500 21.659 7.811 9 HG3 MET 2 2HG MET 2 10.933 22.398 7.090 10 HE1 MET 2 3HE MET 2 8.966 25.318 8.915 11 HE2 MET 2 1HE MET 2 9.350 23.644 9.375 12 HE3 MET 2 2HE MET 2 10.591 24.671 8.633 13 H SER 3 H SER 3 10.975 21.547 2.070 14 HA SER 3 HA SER 3 12.438 20.200 1.003 15 HB2 SER 3 1HB SER 3 13.968 19.672 3.578 16 HB3 SER 3 2HB SER 3 14.473 19.330 1.927 17 HG SER 3 HG SER 3 14.976 21.431 3.335 18 H ALA 4 H ALA 4 12.134 18.015 0.507 19 HA ALA 4 HA ALA 4 11.283 16.161 2.542 20 HB1 ALA 4 1HB ALA 4 9.129 17.276 1.823 21 HB2 ALA 4 2HB ALA 4 9.444 16.675 0.175 22 HB3 ALA 4 3HB ALA 4 9.190 15.531 1.498 23 H ASP 5 H ASP 5 10.755 14.021 1.202 24 HA ASP 5 HA ASP 5 12.904 13.471 -0.713 25 HB2 ASP 5 1HB ASP 5 13.940 12.014 1.118 26 HB3 ASP 5 2HB ASP 5 14.209 13.742 1.212 27 H GLY 6 H GLY 6 11.275 11.690 1.908 28 HA2 GLY 6 1HA GLY 6 9.368 10.321 0.337 29 HA3 GLY 6 2HA GLY 6 10.830 9.311 0.456 30 H SER 7 H SER 7 9.079 11.531 2.567 31 HA SER 7 HA SER 7 8.521 9.464 4.587 32 HB2 SER 7 1HB SER 7 10.900 10.318 4.942 33 HB3 SER 7 2HB SER 7 10.164 11.864 5.423 34 HG SER 7 HG SER 7 9.428 10.960 7.229 35 H GLU 8 H GLU 8 7.678 12.277 2.905 36 HA GLU 8 HA GLU 8 5.650 13.308 4.722 37 HB2 GLU 8 1HB GLU 8 4.793 14.379 2.799 38 HB3 GLU 8 2HB GLU 8 6.529 14.628 2.812 39 HG2 GLU 8 1HG GLU 8 5.251 12.466 1.081 40 HG3 GLU 8 2HG GLU 8 5.250 14.154 0.599 41 H TYR 9 H TYR 9 6.141 10.353 3.263 42 HA TYR 9 HA TYR 9 3.583 9.537 2.362 43 HB2 TYR 9 1HB TYR 9 5.500 7.840 3.999 44 HB3 TYR 9 2HB TYR 9 4.308 7.278 2.848 45 HD1 TYR 9 1HD TYR 9 5.323 9.619 0.695 46 HD2 TYR 9 2HD TYR 9 7.092 6.374 2.963 47 HE1 TYR 9 1HE TYR 9 7.189 9.431 -0.951 48 HE2 TYR 9 2HE TYR 9 8.859 6.149 1.255 49 HH TYR 9 HH TYR 9 9.303 8.375 -1.448 50 H GLY 10 H GLY 10 4.923 9.787 5.678 51 HA2 GLY 10 1HA GLY 10 2.750 8.500 7.028 52 HA3 GLY 10 2HA GLY 10 3.980 9.573 7.712 53 H ARG 11 H ARG 11 2.881 11.599 5.448 54 HA ARG 11 HA ARG 11 0.954 12.952 7.143 55 HB2 ARG 11 1HB ARG 11 1.722 13.513 4.251 56 HB3 ARG 11 2HB ARG 11 0.800 14.537 5.297 57 HG2 ARG 11 1HG ARG 11 3.152 14.018 6.769 58 HG3 ARG 11 2HG ARG 11 3.663 14.304 5.096 59 HD2 ARG 11 1HD ARG 11 2.609 16.487 5.079 60 HD3 ARG 11 2HD ARG 11 1.808 16.161 6.621 61 HE ARG 11 HE ARG 11 3.649 16.669 7.773 62 HH11 ARG 11 1HH1 ARG 11 4.695 16.539 4.365 63 HH12 ARG 11 2HH1 ARG 11 6.387 16.639 4.763 64 HH21 ARG 11 1HH2 ARG 11 5.826 16.673 8.277 65 HH22 ARG 11 2HH2 ARG 11 7.034 17.055 7.111 66 H TYR 12 H TYR 12 0.852 10.554 4.593 67 HA TYR 12 HA TYR 12 -2.059 10.901 4.238 68 HB2 TYR 12 1HB TYR 12 -0.021 9.519 2.491 69 HB3 TYR 12 2HB TYR 12 -1.660 9.944 2.085 70 HD1 TYR 12 1HD TYR 12 -1.313 12.882 3.340 71 HD2 TYR 12 2HD TYR 12 0.882 10.470 0.649 72 HE1 TYR 12 1HE TYR 12 -0.314 14.946 2.409 73 HE2 TYR 12 2HE TYR 12 1.964 12.556 -0.375 74 HH TYR 12 HH TYR 12 0.709 15.742 0.400 75 H PHE 13 H PHE 13 0.412 8.559 4.975 76 HA PHE 13 HA PHE 13 -1.695 6.436 5.311 77 HB2 PHE 13 1HB PHE 13 1.303 6.056 5.189 78 HB3 PHE 13 2HB PHE 13 0.069 4.805 5.179 79 HD1 PHE 13 1HD PHE 13 -1.514 4.665 3.157 80 HD2 PHE 13 2HD PHE 13 2.124 6.936 3.126 81 HE1 PHE 13 1HE PHE 13 -1.449 4.562 0.650 82 HE2 PHE 13 2HE PHE 13 2.104 6.945 0.638 83 HZ PHE 13 HZ PHE 13 0.268 5.798 -0.585 84 H GLU 14 H GLU 14 -2.451 6.566 7.068 85 HA GLU 14 HA GLU 14 -0.999 7.007 9.600 86 HB2 GLU 14 1HB GLU 14 -3.759 7.182 8.578 87 HB3 GLU 14 2HB GLU 14 -3.695 6.270 10.028 88 HG2 GLU 14 1HG GLU 14 -2.755 8.115 11.280 89 HG3 GLU 14 2HG GLU 14 -2.341 8.990 9.795 90 H GLN 15 H GLN 15 -1.380 5.503 11.225 91 HA GLN 15 HA GLN 15 -0.356 2.906 10.639 92 HB2 GLN 15 1HB GLN 15 0.170 4.157 12.609 93 HB3 GLN 15 2HB GLN 15 -1.531 4.203 13.126 94 HG2 GLN 15 1HG GLN 15 -1.520 1.861 13.661 95 HG3 GLN 15 2HG GLN 15 0.038 1.630 12.854 96 HE21 GLN 15 1HE2 GLN 15 0.343 0.584 15.070 97 HE22 GLN 15 2HE2 GLN 15 0.949 1.603 16.356 98 H LEU 16 H LEU 16 -3.649 3.894 10.857 99 HA LEU 16 HA LEU 16 -4.557 1.041 10.902 100 HB2 LEU 16 1HB LEU 16 -6.026 3.454 12.027 101 HB3 LEU 16 2HB LEU 16 -6.557 1.783 12.085 102 HG LEU 16 HG LEU 16 -4.202 3.003 13.585 103 HD11 LEU 16 1HD1 LEU 16 -5.589 2.436 15.565 104 HD12 LEU 16 2HD1 LEU 16 -6.889 1.880 14.494 105 HD13 LEU 16 3HD1 LEU 16 -6.394 3.591 14.492 106 HD21 LEU 16 3HD2 LEU 16 -3.882 0.883 14.704 107 HD22 LEU 16 1HD2 LEU 16 -3.722 0.618 12.971 108 HD23 LEU 16 2HD2 LEU 16 -5.212 0.134 13.798 109 H GLN 17 H GLN 17 -4.114 3.493 8.814 110 HA GLN 17 HA GLN 17 -6.790 3.591 7.590 111 HB2 GLN 17 1HB GLN 17 -4.222 5.006 7.262 112 HB3 GLN 17 2HB GLN 17 -4.889 4.518 5.706 113 HG2 GLN 17 1HG GLN 17 -7.072 5.573 6.299 114 HG3 GLN 17 2HG GLN 17 -6.441 5.964 7.905 115 HE21 GLN 17 1HE2 GLN 17 -4.007 6.509 5.489 116 HE22 GLN 17 2HE2 GLN 17 -4.145 8.233 5.586 117 H LYS 18 H LYS 18 -6.673 3.128 5.036 118 HA LYS 18 HA LYS 18 -5.804 0.286 4.820 119 HB2 LYS 18 1HB LYS 18 -8.212 1.751 3.660 120 HB3 LYS 18 2HB LYS 18 -7.683 0.147 3.162 121 HG2 LYS 18 1HG LYS 18 -9.094 -0.613 4.668 122 HG3 LYS 18 2HG LYS 18 -7.836 -0.268 5.847 123 HD2 LYS 18 1HD LYS 18 -9.809 0.681 6.782 124 HD3 LYS 18 2HD LYS 18 -8.855 2.040 6.184 125 HE2 LYS 18 1HE LYS 18 -10.273 1.769 3.988 126 HE3 LYS 18 2HE LYS 18 -11.332 0.760 4.978 127 HZ1 LYS 18 3HZ LYS 18 -12.227 2.852 5.117 128 HZ2 LYS 18 1HZ LYS 18 -10.793 3.636 5.236 129 HZ3 LYS 18 2HZ LYS 18 -11.380 2.803 6.518 130 H VAL 19 H VAL 19 -4.780 -0.270 2.971 131 HA VAL 19 HA VAL 19 -4.364 1.813 0.824 132 HB VAL 19 HB VAL 19 -2.181 1.105 0.482 133 HG11 VAL 19 1HG1 VAL 19 -2.769 2.233 3.253 134 HG12 VAL 19 2HG1 VAL 19 -1.239 2.416 2.362 135 HG13 VAL 19 3HG1 VAL 19 -2.751 3.123 1.738 136 HG21 VAL 19 3HG2 VAL 19 -2.111 -1.118 1.703 137 HG22 VAL 19 1HG2 VAL 19 -0.786 -0.011 2.089 138 HG23 VAL 19 2HG2 VAL 19 -2.130 -0.192 3.218 139 H ASN 20 H ASN 20 -4.933 0.996 -1.218 140 HA ASN 20 HA ASN 20 -5.881 -1.600 -1.685 141 HB2 ASN 20 1HB ASN 20 -4.784 0.616 -3.393 142 HB3 ASN 20 2HB ASN 20 -4.773 -0.944 -4.116 143 HD21 ASN 20 1HD2 ASN 20 -7.050 -2.263 -3.840 144 HD22 ASN 20 2HD2 ASN 20 -8.411 -1.246 -4.165 145 H LEU 21 H LEU 21 -4.853 -3.373 -2.960 146 HA LEU 21 HA LEU 21 -2.121 -3.774 -1.820 147 HB2 LEU 21 1HB LEU 21 -4.405 -5.738 -2.230 148 HB3 LEU 21 2HB LEU 21 -2.801 -6.202 -1.680 149 HG LEU 21 HG LEU 21 -4.721 -4.392 -0.169 150 HD11 LEU 21 1HD1 LEU 21 -3.686 -7.203 0.437 151 HD12 LEU 21 2HD1 LEU 21 -5.268 -6.849 -0.273 152 HD13 LEU 21 3HD1 LEU 21 -4.897 -6.278 1.350 153 HD21 LEU 21 3HD2 LEU 21 -3.040 -4.651 1.701 154 HD22 LEU 21 1HD2 LEU 21 -2.474 -3.651 0.367 155 HD23 LEU 21 2HD2 LEU 21 -1.898 -5.329 0.522 156 H THR 22 H THR 22 -3.313 -3.177 -4.548 157 HA THR 22 HA THR 22 -3.449 -5.034 -6.277 158 HB THR 22 HB THR 22 -1.848 -2.859 -7.560 159 HG1 THR 22 1HG THR 22 -2.660 -1.796 -5.751 160 HG21 THR 22 3HG2 THR 22 -3.326 -4.467 -8.744 161 HG22 THR 22 1HG2 THR 22 -3.748 -2.771 -9.038 162 HG23 THR 22 2HG2 THR 22 -4.717 -3.727 -7.917 163 H VAL 23 H VAL 23 -2.150 -6.930 -6.232 164 HA VAL 23 HA VAL 23 0.789 -6.676 -6.562 165 HB VAL 23 HB VAL 23 -0.949 -9.163 -6.110 166 HG11 VAL 23 1HG1 VAL 23 1.246 -9.696 -7.104 167 HG12 VAL 23 2HG1 VAL 23 2.061 -8.775 -5.818 168 HG13 VAL 23 3HG1 VAL 23 1.160 -10.260 -5.447 169 HG21 VAL 23 3HG2 VAL 23 0.027 -9.115 -3.784 170 HG22 VAL 23 1HG2 VAL 23 0.587 -7.468 -4.120 171 HG23 VAL 23 2HG2 VAL 23 -1.159 -7.862 -4.122 172 H ARG 24 H ARG 24 1.639 -6.795 -8.658 173 HA ARG 24 HA ARG 24 0.005 -7.703 -10.877 174 HB2 ARG 24 1HB ARG 24 1.720 -7.047 -12.191 175 HB3 ARG 24 2HB ARG 24 2.178 -6.163 -10.737 176 HG2 ARG 24 1HG ARG 24 3.744 -8.122 -10.218 177 HG3 ARG 24 2HG ARG 24 3.410 -8.677 -11.867 178 HD2 ARG 24 1HD ARG 24 3.954 -5.993 -12.242 179 HD3 ARG 24 2HD ARG 24 5.015 -6.369 -10.875 180 HE ARG 24 HE ARG 24 5.409 -8.416 -12.773 181 HH11 ARG 24 1HH1 ARG 24 5.868 -4.904 -12.549 182 HH12 ARG 24 2HH1 ARG 24 6.875 -4.809 -13.957 183 HH21 ARG 24 1HH2 ARG 24 6.696 -8.301 -14.614 184 HH22 ARG 24 2HH2 ARG 24 7.328 -6.755 -15.178 185 H LEU 25 H LEU 25 -0.154 -9.791 -11.748 186 HA LEU 25 HA LEU 25 1.608 -11.933 -10.619 187 HB2 LEU 25 1HB LEU 25 -1.387 -12.100 -11.069 188 HB3 LEU 25 2HB LEU 25 -0.334 -13.435 -10.625 189 HG LEU 25 HG LEU 25 -0.924 -10.991 -8.891 190 HD11 LEU 25 1HD1 LEU 25 -2.220 -12.635 -7.580 191 HD12 LEU 25 2HD1 LEU 25 -1.851 -13.892 -8.783 192 HD13 LEU 25 3HD1 LEU 25 -2.830 -12.489 -9.242 193 HD21 LEU 25 3HD2 LEU 25 0.200 -12.372 -7.089 194 HD22 LEU 25 1HD2 LEU 25 1.306 -11.792 -8.314 195 HD23 LEU 25 2HD2 LEU 25 0.780 -13.461 -8.377 196 H GLY 26 H GLY 26 2.864 -11.836 -12.525 197 HA2 GLY 26 1HA GLY 26 3.397 -12.665 -14.639 198 HA3 GLY 26 2HA GLY 26 1.802 -13.427 -14.696 199 H ASP 27 H ASP 27 1.717 -10.104 -14.023 200 HA ASP 27 HA ASP 27 1.458 -8.167 -15.083 201 HB2 ASP 27 1HB ASP 27 3.331 -9.149 -16.604 202 HB3 ASP 27 2HB ASP 27 2.046 -9.294 -17.812 203 H THR 28 H THR 28 0.090 -10.760 -17.255 204 HA THR 28 HA THR 28 -2.310 -9.190 -17.740 205 HB THR 28 HB THR 28 -3.186 -11.487 -18.553 206 HG1 THR 28 1HG THR 28 -0.452 -12.124 -18.761 207 HG21 THR 28 3HG2 THR 28 -1.953 -11.266 -20.694 208 HG22 THR 28 1HG2 THR 28 -0.843 -10.106 -19.925 209 HG23 THR 28 2HG2 THR 28 -2.563 -9.722 -20.084 210 H GLY 29 H GLY 29 -1.341 -11.521 -15.161 211 HA2 GLY 29 1HA GLY 29 -4.091 -11.426 -14.079 212 HA3 GLY 29 2HA GLY 29 -2.734 -12.425 -13.527 213 H SER 30 H SER 30 -4.280 -10.663 -11.907 214 HA SER 30 HA SER 30 -2.064 -9.594 -10.478 215 HB2 SER 30 1HB SER 30 -4.138 -7.514 -10.556 216 HB3 SER 30 2HB SER 30 -2.403 -7.340 -10.533 217 HG SER 30 HG SER 30 -2.296 -7.389 -12.680 218 H PHE 31 H PHE 31 -2.939 -8.841 -8.259 219 HA PHE 31 HA PHE 31 -5.622 -9.919 -7.604 220 HB2 PHE 31 1HB PHE 31 -4.058 -11.511 -6.655 221 HB3 PHE 31 2HB PHE 31 -3.064 -10.218 -5.996 222 HD1 PHE 31 2HD PHE 31 -6.487 -11.740 -5.775 223 HD2 PHE 31 1HD PHE 31 -3.489 -9.337 -3.814 224 HE1 PHE 31 2HE PHE 31 -7.876 -11.680 -3.715 225 HE2 PHE 31 1HE PHE 31 -4.858 -9.313 -1.749 226 HZ PHE 31 HZ PHE 31 -7.069 -10.457 -1.704 227 H ASP 32 H ASP 32 -6.826 -8.366 -6.438 228 HA ASP 32 HA ASP 32 -5.284 -6.411 -4.853 229 HB2 ASP 32 1HB ASP 32 -5.932 -5.076 -6.764 230 HB3 ASP 32 2HB ASP 32 -7.608 -5.621 -6.642 231 H GLY 33 H GLY 33 -6.135 -6.099 -2.940 232 HA2 GLY 33 1HA GLY 33 -8.813 -7.103 -2.199 233 HA3 GLY 33 2HA GLY 33 -7.423 -7.807 -1.347 234 H THR 34 H THR 34 -8.847 -6.665 0.494 235 HA THR 34 HA THR 34 -8.050 -3.837 0.664 236 HB THR 34 HB THR 34 -10.147 -5.087 2.418 237 HG1 THR 34 1HG THR 34 -10.652 -5.333 0.134 238 HG21 THR 34 3HG2 THR 34 -10.963 -2.730 2.471 239 HG22 THR 34 1HG2 THR 34 -9.627 -2.251 1.423 240 HG23 THR 34 2HG2 THR 34 -9.300 -2.862 3.059 241 H ALA 35 H ALA 35 -6.974 -3.225 2.710 242 HA ALA 35 HA ALA 35 -6.785 -5.233 4.743 243 HB1 ALA 35 1HB ALA 35 -4.166 -4.006 3.653 244 HB2 ALA 35 2HB ALA 35 -4.336 -5.036 5.082 245 HB3 ALA 35 3HB ALA 35 -4.625 -5.711 3.482 246 H ALA 36 H ALA 36 -6.089 -4.245 6.819 247 HA ALA 36 HA ALA 36 -6.032 -1.258 6.722 248 HB1 ALA 36 1HB ALA 36 -7.555 -2.208 8.451 249 HB2 ALA 36 2HB ALA 36 -6.200 -3.157 9.109 250 HB3 ALA 36 3HB ALA 36 -6.167 -1.382 9.179 251 H ILE 37 H ILE 37 -4.203 -0.264 7.624 252 HA ILE 37 HA ILE 37 -1.641 -1.629 7.657 253 HB ILE 37 HB ILE 37 -2.609 1.177 8.403 254 HG12 ILE 37 1HG1 ILE 37 -0.995 0.239 5.992 255 HG13 ILE 37 2HG1 ILE 37 -2.718 0.477 5.922 256 HG21 ILE 37 1HG2 ILE 37 -0.429 0.590 9.583 257 HG22 ILE 37 2HG2 ILE 37 0.305 0.349 7.992 258 HG23 ILE 37 3HG2 ILE 37 -0.344 1.936 8.507 259 HD11 ILE 37 3HD1 ILE 37 -0.792 2.737 6.546 260 HD12 ILE 37 1HD1 ILE 37 -1.447 2.362 4.971 261 HD13 ILE 37 2HD1 ILE 37 -2.547 2.839 6.277 262 H THR 38 H THR 38 -0.444 -1.666 9.666 263 HA THR 38 HA THR 38 -2.016 -1.694 12.157 264 HB THR 38 HB THR 38 -2.060 -3.906 11.332 265 HG1 THR 38 1HG THR 38 -2.052 -3.662 13.516 266 HG21 THR 38 3HG2 THR 38 0.899 -3.753 11.357 267 HG22 THR 38 1HG2 THR 38 -0.248 -4.109 10.022 268 HG23 THR 38 2HG2 THR 38 -0.025 -5.294 11.302 269 H SER 39 H SER 39 1.000 -1.222 10.560 270 HA SER 39 HA SER 39 1.923 0.578 12.691 271 HB2 SER 39 1HB SER 39 3.451 -1.881 11.804 272 HB3 SER 39 2HB SER 39 4.168 -0.572 12.763 273 HG SER 39 HG SER 39 1.779 -1.559 13.759 274 H LEU 40 H LEU 40 3.723 1.972 11.852 275 HA LEU 40 HA LEU 40 4.447 1.599 9.089 276 HB2 LEU 40 1HB LEU 40 2.223 3.154 9.486 277 HB3 LEU 40 2HB LEU 40 3.457 4.393 9.650 278 HG LEU 40 HG LEU 40 3.617 2.461 7.338 279 HD11 LEU 40 1HD1 LEU 40 1.676 4.761 7.418 280 HD12 LEU 40 2HD1 LEU 40 1.285 3.035 7.342 281 HD13 LEU 40 3HD1 LEU 40 2.109 3.800 5.977 282 HD21 LEU 40 3HD2 LEU 40 4.136 5.452 7.382 283 HD22 LEU 40 1HD2 LEU 40 4.477 4.287 6.064 284 HD23 LEU 40 2HD2 LEU 40 5.375 4.188 7.552 285 H LYS 41 H LYS 41 6.396 2.492 8.615 286 HA LYS 41 HA LYS 41 7.695 4.386 10.437 287 HB2 LYS 41 1HB LYS 41 8.289 2.043 11.153 288 HB3 LYS 41 2HB LYS 41 9.004 1.772 9.558 289 HG2 LYS 41 1HG LYS 41 10.516 3.739 9.972 290 HG3 LYS 41 2HG LYS 41 9.827 3.900 11.585 291 HD2 LYS 41 1HD LYS 41 11.355 1.472 10.536 292 HD3 LYS 41 2HD LYS 41 12.007 2.762 11.561 293 HE2 LYS 41 1HE LYS 41 10.026 2.150 13.167 294 HE3 LYS 41 2HE LYS 41 9.983 0.629 12.271 295 HZ1 LYS 41 3HZ LYS 41 12.341 0.351 12.825 296 HZ2 LYS 41 1HZ LYS 41 11.429 0.444 14.186 297 HZ3 LYS 41 2HZ LYS 41 12.322 1.734 13.728 298 H GLY 42 H GLY 42 7.105 5.812 8.632 299 HA2 GLY 42 1HA GLY 42 7.733 7.089 6.863 300 HA3 GLY 42 2HA GLY 42 9.315 6.304 6.954 301 H SER 43 H SER 43 9.889 4.955 5.268 302 HA SER 43 HA SER 43 8.082 4.492 2.941 303 HB2 SER 43 1HB SER 43 10.109 3.496 1.997 304 HB3 SER 43 2HB SER 43 10.303 5.175 2.470 305 HG SER 43 HG SER 43 12.075 3.839 3.104 306 H LEU 44 H LEU 44 8.259 2.996 5.852 307 HA LEU 44 HA LEU 44 7.701 0.373 4.558 308 HB2 LEU 44 1HB LEU 44 9.831 0.613 5.924 309 HB3 LEU 44 2HB LEU 44 8.834 0.838 7.342 310 HG LEU 44 HG LEU 44 9.827 -1.416 6.914 311 HD11 LEU 44 1HD1 LEU 44 8.046 -2.739 7.775 312 HD12 LEU 44 2HD1 LEU 44 6.850 -1.523 7.324 313 HD13 LEU 44 3HD1 LEU 44 8.062 -1.146 8.561 314 HD21 LEU 44 3HD2 LEU 44 9.002 -2.984 5.398 315 HD22 LEU 44 1HD2 LEU 44 9.337 -1.518 4.469 316 HD23 LEU 44 2HD2 LEU 44 7.664 -1.929 4.911 317 H ALA 45 H ALA 45 5.821 -0.566 5.123 318 HA ALA 45 HA ALA 45 4.299 0.327 7.498 319 HB1 ALA 45 1HB ALA 45 3.290 1.414 5.359 320 HB2 ALA 45 2HB ALA 45 2.841 -0.234 4.890 321 HB3 ALA 45 3HB ALA 45 2.191 0.456 6.378 322 H TRP 46 H TRP 46 2.716 -1.377 8.203 323 HA TRP 46 HA TRP 46 3.125 -4.050 6.949 324 HB2 TRP 46 1HB TRP 46 3.188 -3.299 9.867 325 HB3 TRP 46 2HB TRP 46 2.450 -4.816 9.405 326 HD1 TRP 46 HD TRP 46 5.817 -2.984 9.231 327 HE1 TRP 46 1HE TRP 46 7.728 -4.648 8.986 328 HE3 TRP 46 3HE TRP 46 3.076 -7.267 8.630 329 HZ2 TRP 46 2HZ TRP 46 8.039 -7.405 8.292 330 HZ3 TRP 46 3HZ TRP 46 4.212 -9.394 8.122 331 HH2 TRP 46 HH TRP 46 6.711 -9.476 7.891 332 H LEU 47 H LEU 47 1.241 -5.147 6.491 333 HA LEU 47 HA LEU 47 -1.309 -3.917 7.305 334 HB2 LEU 47 1HB LEU 47 -0.746 -5.854 5.031 335 HB3 LEU 47 2HB LEU 47 -2.197 -4.944 5.334 336 HG LEU 47 HG LEU 47 -1.386 -3.856 3.598 337 HD11 LEU 47 1HD1 LEU 47 0.072 -2.186 5.664 338 HD12 LEU 47 2HD1 LEU 47 -1.689 -2.198 5.448 339 HD13 LEU 47 3HD1 LEU 47 -0.622 -1.667 4.135 340 HD21 LEU 47 3HD2 LEU 47 0.824 -3.383 2.953 341 HD22 LEU 47 1HD2 LEU 47 0.681 -5.079 3.398 342 HD23 LEU 47 2HD2 LEU 47 1.484 -3.949 4.512 343 H GLU 48 H GLU 48 -3.104 -5.429 7.440 344 HA GLU 48 HA GLU 48 -2.508 -8.189 8.299 345 HB2 GLU 48 1HB GLU 48 -3.951 -7.811 10.319 346 HB3 GLU 48 2HB GLU 48 -2.536 -6.754 10.289 347 HG2 GLU 48 1HG GLU 48 -3.891 -4.930 9.384 348 HG3 GLU 48 2HG GLU 48 -5.340 -5.934 9.396 349 H LEU 49 H LEU 49 -3.712 -7.395 5.821 350 HA LEU 49 HA LEU 49 -5.616 -7.431 4.548 351 HB2 LEU 49 1HB LEU 49 -5.371 -10.009 5.981 352 HB3 LEU 49 2HB LEU 49 -6.940 -9.761 5.300 353 HG LEU 49 HG LEU 49 -4.274 -9.794 3.894 354 HD11 LEU 49 1HD1 LEU 49 -5.612 -11.947 4.498 355 HD12 LEU 49 2HD1 LEU 49 -5.148 -11.774 2.796 356 HD13 LEU 49 3HD1 LEU 49 -6.808 -11.417 3.340 357 HD21 LEU 49 3HD2 LEU 49 -6.977 -8.964 2.750 358 HD22 LEU 49 1HD2 LEU 49 -5.713 -9.629 1.716 359 HD23 LEU 49 2HD2 LEU 49 -5.417 -8.136 2.591 360 H PHE 50 H PHE 50 -8.236 -8.119 4.682 361 HA PHE 50 HA PHE 50 -9.273 -6.390 6.879 362 HB2 PHE 50 1HB PHE 50 -9.272 -6.099 4.119 363 HB3 PHE 50 2HB PHE 50 -10.843 -6.808 4.387 364 HD1 PHE 50 2HD PHE 50 -8.755 -4.325 6.297 365 HD2 PHE 50 1HD PHE 50 -12.416 -5.092 4.150 366 HE1 PHE 50 2HE PHE 50 -9.430 -1.995 6.643 367 HE2 PHE 50 1HE PHE 50 -13.089 -2.732 4.454 368 HZ PHE 50 HZ PHE 50 -11.593 -1.162 5.677 369 H GLY 51 H GLY 51 -9.513 -9.656 5.708 370 HA2 GLY 51 1HA GLY 51 -11.496 -10.631 7.380 371 HA3 GLY 51 2HA GLY 51 -12.334 -9.935 5.980 372 H ALA 52 H ALA 52 -12.932 -12.133 5.339 373 HA ALA 52 HA ALA 52 -10.971 -14.198 5.000 374 HB1 ALA 52 1HB ALA 52 -13.800 -13.971 3.881 375 HB2 ALA 52 2HB ALA 52 -12.840 -15.457 4.019 376 HB3 ALA 52 3HB ALA 52 -13.372 -14.604 5.482 377 H GLU 53 H GLU 53 -11.771 -11.550 2.922 378 HA GLU 53 HA GLU 53 -11.190 -12.863 0.371 379 HB2 GLU 53 1HB GLU 53 -11.439 -9.987 1.246 380 HB3 GLU 53 2HB GLU 53 -11.044 -10.453 -0.409 381 HG2 GLU 53 1HG GLU 53 -13.169 -11.275 -0.844 382 HG3 GLU 53 2HG GLU 53 -13.510 -11.637 0.848 383 H GLN 54 H GLN 54 -9.219 -13.763 0.338 384 HA GLN 54 HA GLN 54 -6.817 -12.103 0.890 385 HB2 GLN 54 1HB GLN 54 -5.703 -14.052 1.864 386 HB3 GLN 54 2HB GLN 54 -7.161 -13.718 2.755 387 HG2 GLN 54 1HG GLN 54 -8.289 -15.613 1.758 388 HG3 GLN 54 2HG GLN 54 -6.999 -15.832 0.578 389 HE21 GLN 54 1HE2 GLN 54 -4.723 -16.258 1.530 390 HE22 GLN 54 2HE2 GLN 54 -4.717 -17.460 2.796 391 HA PRO 55 HA PRO 55 -5.553 -13.332 -3.115 392 HB2 PRO 55 1HB PRO 55 -2.910 -14.060 -2.655 393 HB3 PRO 55 2HB PRO 55 -3.472 -12.426 -3.001 394 HG2 PRO 55 1HG PRO 55 -2.692 -13.690 -0.409 395 HG3 PRO 55 2HG PRO 55 -2.547 -11.974 -0.908 396 HD2 PRO 55 1HD PRO 55 -4.471 -12.901 0.775 397 HD3 PRO 55 2HD PRO 55 -4.780 -11.532 -0.304 398 HA PRO 56 HA PRO 56 -5.007 -17.880 -3.261 399 HB2 PRO 56 1HB PRO 56 -3.162 -18.214 -5.297 400 HB3 PRO 56 2HB PRO 56 -4.888 -17.852 -5.592 401 HG2 PRO 56 1HG PRO 56 -2.568 -15.922 -5.543 402 HG3 PRO 56 2HG PRO 56 -3.861 -16.050 -6.763 403 HD2 PRO 56 1HD PRO 56 -3.902 -14.223 -4.754 404 HD3 PRO 56 2HD PRO 56 -5.406 -14.973 -5.343 405 HA PRO 57 HA PRO 57 -1.069 -18.044 -1.024 406 HB2 PRO 57 1HB PRO 57 -0.765 -20.768 -0.746 407 HB3 PRO 57 2HB PRO 57 -1.966 -19.790 0.165 408 HG2 PRO 57 1HG PRO 57 -2.383 -21.401 -2.357 409 HG3 PRO 57 2HG PRO 57 -3.385 -21.403 -0.865 410 HD2 PRO 57 1HD PRO 57 -4.033 -19.949 -3.076 411 HD3 PRO 57 2HD PRO 57 -4.359 -19.346 -1.417 412 H ASN 58 H ASN 58 1.109 -19.293 -1.266 413 HA ASN 58 HA ASN 58 3.036 -19.380 -2.353 414 HB2 ASN 58 1HB ASN 58 3.371 -20.895 -4.128 415 HB3 ASN 58 2HB ASN 58 2.277 -21.572 -2.943 416 HD21 ASN 58 1HD2 ASN 58 1.197 -23.038 -4.254 417 HD22 ASN 58 2HD2 ASN 58 0.299 -22.596 -5.676 418 H THR 59 H THR 59 1.095 -17.115 -3.167 419 HA THR 59 HA THR 59 2.340 -16.454 -5.789 420 HB THR 59 HB THR 59 -0.508 -16.029 -4.787 421 HG1 THR 59 1HG THR 59 -0.133 -18.174 -5.271 422 HG21 THR 59 3HG2 THR 59 -0.107 -14.339 -6.290 423 HG22 THR 59 1HG2 THR 59 -0.923 -15.597 -7.227 424 HG23 THR 59 2HG2 THR 59 0.855 -15.378 -7.370 425 H LEU 60 H LEU 60 1.681 -15.166 -2.558 426 HA LEU 60 HA LEU 60 2.669 -12.512 -3.305 427 HB2 LEU 60 1HB LEU 60 2.231 -13.820 -0.583 428 HB3 LEU 60 2HB LEU 60 2.881 -12.213 -0.835 429 HG LEU 60 HG LEU 60 0.060 -13.129 -1.269 430 HD11 LEU 60 1HD1 LEU 60 0.901 -12.320 0.983 431 HD12 LEU 60 2HD1 LEU 60 -0.523 -11.496 0.327 432 HD13 LEU 60 3HD1 LEU 60 1.069 -10.724 0.253 433 HD21 LEU 60 3HD2 LEU 60 1.112 -10.390 -2.052 434 HD22 LEU 60 1HD2 LEU 60 -0.564 -10.948 -2.115 435 HD23 LEU 60 2HD2 LEU 60 0.630 -11.648 -3.220 436 H SER 61 H SER 61 4.726 -11.818 -3.045 437 HA SER 61 HA SER 61 6.847 -13.629 -1.982 438 HB2 SER 61 1HB SER 61 7.124 -11.709 -4.320 439 HB3 SER 61 2HB SER 61 8.353 -12.810 -3.705 440 HG SER 61 HG SER 61 7.002 -14.548 -4.260 441 H GLU 62 H GLU 62 8.822 -12.359 -1.397 442 HA GLU 62 HA GLU 62 8.042 -10.147 0.328 443 HB2 GLU 62 1HB GLU 62 10.788 -11.389 -0.150 444 HB3 GLU 62 2HB GLU 62 10.355 -10.263 1.141 445 HG2 GLU 62 1HG GLU 62 8.576 -12.093 1.752 446 HG3 GLU 62 2HG GLU 62 9.601 -13.172 0.815 447 H GLY 63 H GLY 63 8.784 -10.142 -2.848 448 HA2 GLY 63 1HA GLY 63 9.910 -7.395 -2.909 449 HA3 GLY 63 2HA GLY 63 10.727 -8.713 -3.768 450 H ALA 64 H ALA 64 7.245 -8.736 -3.408 451 HA ALA 64 HA ALA 64 6.725 -8.745 -6.288 452 HB1 ALA 64 1HB ALA 64 5.214 -10.004 -4.823 453 HB2 ALA 64 2HB ALA 64 5.057 -8.609 -3.732 454 HB3 ALA 64 3HB ALA 64 4.319 -8.547 -5.317 455 H GLU 65 H GLU 65 6.222 -6.853 -7.462 456 HA GLU 65 HA GLU 65 6.279 -4.264 -6.147 457 HB2 GLU 65 1HB GLU 65 5.752 -5.029 -9.042 458 HB3 GLU 65 2HB GLU 65 5.941 -3.390 -8.390 459 HG2 GLU 65 1HG GLU 65 8.233 -4.174 -7.552 460 HG3 GLU 65 2HG GLU 65 8.059 -5.571 -8.605 461 H VAL 66 H VAL 66 4.541 -3.159 -5.825 462 HA VAL 66 HA VAL 66 1.867 -4.257 -6.326 463 HB VAL 66 HB VAL 66 1.175 -3.936 -4.023 464 HG11 VAL 66 1HG1 VAL 66 2.192 -6.128 -4.786 465 HG12 VAL 66 2HG1 VAL 66 3.697 -5.644 -3.996 466 HG13 VAL 66 3HG1 VAL 66 2.221 -5.846 -3.032 467 HG21 VAL 66 3HG2 VAL 66 4.090 -3.324 -3.347 468 HG22 VAL 66 1HG2 VAL 66 2.754 -2.145 -3.305 469 HG23 VAL 66 2HG2 VAL 66 2.749 -3.521 -2.203 470 H SER 67 H SER 67 0.093 -2.436 -5.974 471 HA SER 67 HA SER 67 1.251 0.281 -5.820 472 HB2 SER 67 1HB SER 67 -1.314 -0.460 -7.170 473 HB3 SER 67 2HB SER 67 -0.356 0.980 -7.332 474 HG SER 67 HG SER 67 -0.405 -0.731 -9.053 475 H VAL 68 H VAL 68 0.294 1.623 -4.322 476 HA VAL 68 HA VAL 68 -1.687 0.472 -2.471 477 HB VAL 68 HB VAL 68 -0.963 2.081 -0.920 478 HG11 VAL 68 1HG1 VAL 68 0.673 0.206 -1.286 479 HG12 VAL 68 2HG1 VAL 68 1.644 1.356 -2.245 480 HG13 VAL 68 3HG1 VAL 68 1.286 1.676 -0.526 481 HG21 VAL 68 3HG2 VAL 68 0.634 3.798 -1.299 482 HG22 VAL 68 1HG2 VAL 68 0.242 3.614 -3.021 483 HG23 VAL 68 2HG2 VAL 68 -1.056 4.006 -1.823 484 H SER 69 H SER 69 -3.349 2.142 -1.657 485 HA SER 69 HA SER 69 -3.503 4.599 -2.885 486 HB2 SER 69 1HB SER 69 -5.140 4.517 -4.471 487 HB3 SER 69 2HB SER 69 -4.853 2.770 -4.516 488 HG SER 69 HG SER 69 -6.774 2.480 -3.781 489 H VAL 70 H VAL 70 -4.497 6.006 -1.339 490 HA VAL 70 HA VAL 70 -6.603 4.868 0.351 491 HB VAL 70 HB VAL 70 -4.563 4.577 1.630 492 HG11 VAL 70 1HG1 VAL 70 -3.154 6.385 0.739 493 HG12 VAL 70 2HG1 VAL 70 -4.148 7.576 1.619 494 HG13 VAL 70 3HG1 VAL 70 -3.215 6.366 2.504 495 HG21 VAL 70 3HG2 VAL 70 -5.303 5.602 3.685 496 HG22 VAL 70 1HG2 VAL 70 -6.271 6.814 2.802 497 HG23 VAL 70 2HG2 VAL 70 -6.710 5.089 2.747 498 H TRP 71 H TRP 71 -8.100 6.381 0.947 499 HA TRP 71 HA TRP 71 -7.904 9.062 -0.369 500 HB2 TRP 71 1HB TRP 71 -10.197 7.549 0.956 501 HB3 TRP 71 2HB TRP 71 -10.288 9.197 0.360 502 HD1 TRP 71 HD TRP 71 -10.097 5.586 -0.826 503 HE1 TRP 71 1HE TRP 71 -10.457 5.423 -3.342 504 HE3 TRP 71 3HE TRP 71 -10.000 10.561 -1.942 505 HZ2 TRP 71 2HZ TRP 71 -10.535 7.257 -5.616 506 HZ3 TRP 71 3HZ TRP 71 -10.211 11.329 -4.273 507 HH2 TRP 71 HH TRP 71 -10.532 9.708 -6.128 508 H THR 72 H THR 72 -6.791 10.591 0.980 509 HA THR 72 HA THR 72 -8.119 10.948 3.509 510 HB THR 72 HB THR 72 -6.246 9.251 3.942 511 HG1 THR 72 1HG THR 72 -6.329 9.902 5.875 512 HG21 THR 72 3HG2 THR 72 -4.399 10.268 2.727 513 HG22 THR 72 1HG2 THR 72 -4.079 10.242 4.477 514 HG23 THR 72 2HG2 THR 72 -4.523 11.758 3.709 515 H GLY 73 H GLY 73 -7.724 13.021 4.443 516 HA2 GLY 73 1HA GLY 73 -7.867 15.246 4.169 517 HA3 GLY 73 2HA GLY 73 -6.426 15.201 3.146 518 H GLY 74 H GLY 74 -7.438 16.739 1.695 519 HA2 GLY 74 1HA GLY 74 -9.815 15.921 0.138 520 HA3 GLY 74 2HA GLY 74 -8.906 17.429 0.006 521 H ALA 75 H ALA 75 -7.930 13.892 -0.279 522 HA ALA 75 HA ALA 75 -8.027 14.060 -3.038 523 HB1 ALA 75 1HB ALA 75 -5.795 15.270 -2.836 524 HB2 ALA 75 2HB ALA 75 -5.152 13.803 -2.048 525 HB3 ALA 75 3HB ALA 75 -5.677 13.771 -3.735 526 H LEU 76 H LEU 76 -6.841 12.014 -4.110 527 HA LEU 76 HA LEU 76 -7.004 9.642 -2.367 528 HB2 LEU 76 1HB LEU 76 -7.901 9.864 -4.861 529 HB3 LEU 76 2HB LEU 76 -6.244 9.881 -5.304 530 HG LEU 76 HG LEU 76 -7.962 7.676 -5.020 531 HD11 LEU 76 1HD1 LEU 76 -6.452 7.794 -6.700 532 HD12 LEU 76 2HD1 LEU 76 -6.101 6.367 -5.748 533 HD13 LEU 76 3HD1 LEU 76 -5.064 7.807 -5.562 534 HD21 LEU 76 3HD2 LEU 76 -5.731 7.182 -3.057 535 HD22 LEU 76 1HD2 LEU 76 -7.035 6.101 -3.562 536 HD23 LEU 76 2HD2 LEU 76 -7.439 7.496 -2.588 537 H CYS 77 H CYS 77 -5.006 8.692 -1.847 538 HA CYS 77 HA CYS 77 -2.456 9.843 -2.868 539 HB2 CYS 77 1HB CYS 77 -2.533 10.412 -0.568 540 HB3 CYS 77 2HB CYS 77 -3.361 8.976 -0.103 541 HG CYS 77 HG CYS 77 -1.596 7.250 -0.439 542 H ARG 78 H ARG 78 -2.564 8.523 -4.603 543 HA ARG 78 HA ARG 78 -2.498 5.553 -4.355 544 HB2 ARG 78 1HB ARG 78 -3.831 6.018 -6.216 545 HB3 ARG 78 2HB ARG 78 -2.948 7.470 -6.635 546 HG2 ARG 78 1HG ARG 78 -2.615 5.797 -8.316 547 HG3 ARG 78 2HG ARG 78 -1.094 6.192 -7.545 548 HD2 ARG 78 1HD ARG 78 -1.034 4.115 -6.394 549 HD3 ARG 78 2HD ARG 78 -2.695 3.717 -6.902 550 HE ARG 78 HE ARG 78 -1.849 2.895 -8.828 551 HH11 ARG 78 1HH1 ARG 78 0.588 5.318 -7.880 552 HH12 ARG 78 2HH1 ARG 78 1.918 4.410 -8.562 553 HH21 ARG 78 1HH2 ARG 78 -0.065 1.885 -9.936 554 HH22 ARG 78 2HH2 ARG 78 1.563 2.404 -9.589 555 H CYS 79 H CYS 79 -0.532 4.551 -4.588 556 HA CYS 79 HA CYS 79 1.602 5.957 -5.770 557 HB2 CYS 79 1HB CYS 79 1.553 6.640 -3.194 558 HB3 CYS 79 2HB CYS 79 2.115 5.036 -2.884 559 HG CYS 79 HG CYS 79 3.366 7.188 -5.108 560 H ASP 80 H ASP 80 3.747 4.324 -5.398 561 HA ASP 80 HA ASP 80 2.747 1.632 -6.236 562 HB2 ASP 80 1HB ASP 80 5.159 3.290 -7.109 563 HB3 ASP 80 2HB ASP 80 5.073 1.546 -7.324 564 H GLY 81 H GLY 81 4.452 -0.132 -5.549 565 HA2 GLY 81 1HA GLY 81 6.358 0.525 -3.477 566 HA3 GLY 81 2HA GLY 81 4.883 -0.234 -2.857 567 H ARG 82 H ARG 82 6.908 -1.603 -2.293 568 HA ARG 82 HA ARG 82 6.555 -3.981 -3.947 569 HB2 ARG 82 1HB ARG 82 9.202 -3.301 -2.607 570 HB3 ARG 82 2HB ARG 82 8.760 -4.863 -3.313 571 HG2 ARG 82 1HG ARG 82 8.212 -3.081 -5.391 572 HG3 ARG 82 2HG ARG 82 9.622 -2.360 -4.658 573 HD2 ARG 82 1HD ARG 82 9.307 -5.258 -5.578 574 HD3 ARG 82 2HD ARG 82 10.135 -3.981 -6.444 575 HE ARG 82 HE ARG 82 11.245 -4.404 -3.777 576 HH11 ARG 82 1HH1 ARG 82 11.431 -5.431 -7.224 577 HH12 ARG 82 2HH1 ARG 82 12.970 -6.171 -6.997 578 HH21 ARG 82 1HH2 ARG 82 13.255 -5.617 -3.552 579 HH22 ARG 82 2HH2 ARG 82 13.991 -6.251 -4.990 580 H VAL 83 H VAL 83 6.823 -5.958 -2.393 581 HA VAL 83 HA VAL 83 5.547 -5.487 0.097 582 HB VAL 83 HB VAL 83 6.848 -7.882 -1.150 583 HG11 VAL 83 1HG1 VAL 83 5.487 -7.813 1.576 584 HG12 VAL 83 2HG1 VAL 83 5.882 -9.280 0.647 585 HG13 VAL 83 3HG1 VAL 83 7.174 -8.257 1.242 586 HG21 VAL 83 3HG2 VAL 83 4.450 -8.601 -1.077 587 HG22 VAL 83 1HG2 VAL 83 4.000 -7.027 -0.435 588 HG23 VAL 83 2HG2 VAL 83 4.708 -7.145 -2.062 589 H GLU 84 H GLU 84 8.950 -5.985 -0.583 590 HA GLU 84 HA GLU 84 10.854 -5.647 0.579 591 HB2 GLU 84 1HB GLU 84 9.659 -3.535 1.337 592 HB3 GLU 84 2HB GLU 84 9.267 -4.350 2.830 593 HG2 GLU 84 1HG GLU 84 11.254 -2.924 3.050 594 HG3 GLU 84 2HG GLU 84 11.547 -4.610 3.466 595 H THR 85 H THR 85 8.212 -6.784 2.744 596 HA THR 85 HA THR 85 9.797 -9.187 3.370 597 HB THR 85 HB THR 85 8.775 -7.382 5.613 598 HG1 THR 85 1HG THR 85 11.081 -7.365 4.201 599 HG21 THR 85 3HG2 THR 85 10.547 -9.865 5.677 600 HG22 THR 85 1HG2 THR 85 8.863 -9.769 6.242 601 HG23 THR 85 2HG2 THR 85 10.131 -8.849 7.072 602 H LEU 86 H LEU 86 8.431 -10.945 3.665 603 HA LEU 86 HA LEU 86 5.504 -10.367 3.880 604 HB2 LEU 86 1HB LEU 86 6.460 -11.421 1.689 605 HB3 LEU 86 2HB LEU 86 6.674 -12.867 2.674 606 HG LEU 86 HG LEU 86 4.070 -12.301 3.264 607 HD11 LEU 86 1HD1 LEU 86 4.214 -10.237 1.793 608 HD12 LEU 86 2HD1 LEU 86 2.933 -11.364 1.379 609 HD13 LEU 86 3HD1 LEU 86 4.435 -11.297 0.413 610 HD21 LEU 86 3HD2 LEU 86 4.950 -13.691 0.704 611 HD22 LEU 86 1HD2 LEU 86 3.399 -13.889 1.559 612 HD23 LEU 86 2HD2 LEU 86 4.897 -14.428 2.326 613 H ARG 87 H ARG 87 4.291 -12.035 5.147 614 HA ARG 87 HA ARG 87 5.984 -13.602 7.040 615 HB2 ARG 87 1HB ARG 87 5.554 -11.370 7.972 616 HB3 ARG 87 2HB ARG 87 3.813 -11.612 7.824 617 HG2 ARG 87 1HG ARG 87 3.981 -13.528 9.409 618 HG3 ARG 87 2HG ARG 87 5.716 -13.182 9.563 619 HD2 ARG 87 1HD ARG 87 5.144 -10.843 10.328 620 HD3 ARG 87 2HD ARG 87 3.436 -11.280 10.247 621 HE ARG 87 HE ARG 87 3.627 -12.711 12.018 622 HH11 ARG 87 1HH1 ARG 87 6.863 -11.206 11.516 623 HH12 ARG 87 2HH1 ARG 87 7.621 -12.306 12.645 624 HH21 ARG 87 1HH2 ARG 87 4.661 -13.964 13.557 625 HH22 ARG 87 2HH2 ARG 87 6.370 -13.829 13.858 626 H ASP 88 H ASP 88 2.644 -12.858 5.946 627 HA ASP 88 HA ASP 88 2.124 -15.742 5.621 628 HB2 ASP 88 1HB ASP 88 0.270 -13.732 6.983 629 HB3 ASP 88 2HB ASP 88 -0.249 -15.269 6.381 630 H ASP 89 H ASP 89 0.114 -15.821 4.168 631 HA ASP 89 HA ASP 89 0.162 -13.932 1.998 632 HB2 ASP 89 1HB ASP 89 -1.464 -16.324 2.686 633 HB3 ASP 89 2HB ASP 89 -2.204 -15.164 1.598 634 H ARG 90 H ARG 90 -1.028 -13.578 5.064 635 HA ARG 90 HA ARG 90 -2.979 -11.480 4.262 636 HB2 ARG 90 1HB ARG 90 -4.095 -11.758 6.354 637 HB3 ARG 90 2HB ARG 90 -4.124 -13.274 5.421 638 HG2 ARG 90 1HG ARG 90 -2.547 -14.335 6.826 639 HG3 ARG 90 2HG ARG 90 -2.082 -12.783 7.633 640 HD2 ARG 90 1HD ARG 90 -4.586 -12.634 8.265 641 HD3 ARG 90 2HD ARG 90 -4.690 -14.341 7.878 642 HE ARG 90 HE ARG 90 -2.629 -14.325 9.665 643 HH11 ARG 90 1HH1 ARG 90 -5.748 -12.458 9.866 644 HH12 ARG 90 2HH1 ARG 90 -5.716 -12.562 11.600 645 HH21 ARG 90 1HH2 ARG 90 -2.800 -14.447 11.904 646 HH22 ARG 90 2HH2 ARG 90 -4.074 -13.555 12.734 647 H GLN 91 H GLN 91 0.077 -11.904 5.833 648 HA GLN 91 HA GLN 91 -0.166 -9.185 6.979 649 HB2 GLN 91 1HB GLN 91 1.150 -11.532 8.380 650 HB3 GLN 91 2HB GLN 91 1.252 -9.863 8.827 651 HG2 GLN 91 1HG GLN 91 -1.347 -9.940 9.093 652 HG3 GLN 91 2HG GLN 91 -1.089 -11.689 9.208 653 HE21 GLN 91 1HE2 GLN 91 0.087 -8.547 10.566 654 HE22 GLN 91 2HE2 GLN 91 0.500 -9.184 12.138 655 H PHE 92 H PHE 92 1.440 -8.042 6.316 656 HA PHE 92 HA PHE 92 4.099 -8.961 5.741 657 HB2 PHE 92 1HB PHE 92 4.016 -8.533 3.250 658 HB3 PHE 92 2HB PHE 92 3.294 -10.013 3.835 659 HD1 PHE 92 1HD PHE 92 2.503 -6.713 2.319 660 HD2 PHE 92 2HD PHE 92 0.997 -10.546 3.572 661 HE1 PHE 92 1HE PHE 92 0.384 -6.259 1.146 662 HE2 PHE 92 2HE PHE 92 -1.164 -10.041 2.540 663 HZ PHE 92 HZ PHE 92 -1.489 -7.911 1.269 664 H ALA 93 H ALA 93 5.353 -7.250 4.560 665 HA ALA 93 HA ALA 93 4.595 -4.641 5.618 666 HB1 ALA 93 1HB ALA 93 7.243 -5.581 4.442 667 HB2 ALA 93 2HB ALA 93 6.933 -4.065 5.312 668 HB3 ALA 93 3HB ALA 93 6.849 -5.607 6.170 669 H ILE 94 H ILE 94 5.348 -2.768 4.077 670 HA ILE 94 HA ILE 94 5.746 -3.516 1.324 671 HB ILE 94 HB ILE 94 4.372 -1.475 0.600 672 HG12 ILE 94 1HG1 ILE 94 2.837 -2.034 3.171 673 HG13 ILE 94 2HG1 ILE 94 3.875 -0.629 2.882 674 HG21 ILE 94 1HG2 ILE 94 2.416 -2.803 0.106 675 HG22 ILE 94 2HG2 ILE 94 3.833 -3.851 0.041 676 HG23 ILE 94 3HG2 ILE 94 2.758 -3.906 1.449 677 HD11 ILE 94 3HD1 ILE 94 1.628 0.053 2.560 678 HD12 ILE 94 1HD1 ILE 94 2.406 0.013 0.963 679 HD13 ILE 94 2HD1 ILE 94 1.288 -1.286 1.447 680 H ARG 95 H ARG 95 7.261 -2.246 0.417 681 HA ARG 95 HA ARG 95 8.316 0.201 1.786 682 HB2 ARG 95 1HB ARG 95 10.103 -1.409 1.177 683 HB3 ARG 95 2HB ARG 95 9.453 -1.541 -0.457 684 HG2 ARG 95 1HG ARG 95 11.316 -0.124 -0.662 685 HG3 ARG 95 2HG ARG 95 9.953 0.975 -0.719 686 HD2 ARG 95 1HD ARG 95 11.461 2.032 0.729 687 HD3 ARG 95 2HD ARG 95 10.345 1.234 1.864 688 HE ARG 95 HE ARG 95 12.765 -0.201 0.951 689 HH11 ARG 95 1HH1 ARG 95 11.332 1.529 3.722 690 HH12 ARG 95 2HH1 ARG 95 12.451 0.861 4.858 691 HH21 ARG 95 1HH2 ARG 95 14.106 -1.075 2.333 692 HH22 ARG 95 2HH2 ARG 95 14.069 -0.782 4.064 693 H LEU 96 H LEU 96 7.513 2.012 1.011 694 HA LEU 96 HA LEU 96 5.880 2.135 -1.440 695 HB2 LEU 96 1HB LEU 96 6.682 3.884 0.894 696 HB3 LEU 96 2HB LEU 96 6.282 4.674 -0.594 697 HG LEU 96 HG LEU 96 4.046 4.296 -0.429 698 HD11 LEU 96 1HD1 LEU 96 4.512 1.663 0.995 699 HD12 LEU 96 2HD1 LEU 96 3.869 1.942 -0.653 700 HD13 LEU 96 3HD1 LEU 96 2.931 2.433 0.758 701 HD21 LEU 96 3HD2 LEU 96 4.798 3.772 2.476 702 HD22 LEU 96 1HD2 LEU 96 3.299 4.490 1.880 703 HD23 LEU 96 2HD2 LEU 96 4.833 5.365 1.714 704 H VAL 97 H VAL 97 6.529 3.052 -3.404 705 HA VAL 97 HA VAL 97 9.055 4.522 -3.525 706 HB VAL 97 HB VAL 97 9.645 3.387 -5.581 707 HG11 VAL 97 1HG1 VAL 97 9.426 1.341 -3.345 708 HG12 VAL 97 2HG1 VAL 97 10.632 1.408 -4.646 709 HG13 VAL 97 3HG1 VAL 97 10.624 2.656 -3.399 710 HG21 VAL 97 3HG2 VAL 97 7.477 2.497 -6.324 711 HG22 VAL 97 1HG2 VAL 97 8.747 1.265 -6.306 712 HG23 VAL 97 2HG2 VAL 97 7.540 1.298 -5.018 713 H GLY 98 H GLY 98 9.203 5.871 -5.351 714 HA2 GLY 98 1HA GLY 98 8.576 6.749 -7.339 715 HA3 GLY 98 2HA GLY 98 6.920 6.133 -7.181 716 H ARG 99 H ARG 99 7.554 7.609 -4.419 717 HA ARG 99 HA ARG 99 6.955 9.290 -3.300 718 HB2 ARG 99 1HB ARG 99 8.786 10.349 -4.844 719 HB3 ARG 99 2HB ARG 99 7.419 11.277 -5.484 720 HG2 ARG 99 1HG ARG 99 7.725 11.119 -2.490 721 HG3 ARG 99 2HG ARG 99 8.887 12.123 -3.359 722 HD2 ARG 99 1HD ARG 99 5.976 12.330 -3.977 723 HD3 ARG 99 2HD ARG 99 6.542 13.061 -2.469 724 HE ARG 99 HE ARG 99 6.865 14.082 -5.146 725 HH11 ARG 99 1HH1 ARG 99 8.319 14.285 -1.874 726 HH12 ARG 99 2HH1 ARG 99 9.370 15.575 -2.313 727 HH21 ARG 99 1HH2 ARG 99 8.049 15.915 -5.583 728 HH22 ARG 99 2HH2 ARG 99 9.250 16.530 -4.494 729 H VAL 100 H VAL 100 5.112 9.964 -2.664 730 HA VAL 100 HA VAL 100 2.710 9.417 -4.204 731 HB VAL 100 HB VAL 100 2.769 10.951 -1.601 732 HG11 VAL 100 1HG1 VAL 100 0.924 8.759 -2.589 733 HG12 VAL 100 2HG1 VAL 100 0.692 9.992 -1.339 734 HG13 VAL 100 3HG1 VAL 100 0.669 10.465 -3.018 735 HG21 VAL 100 3HG2 VAL 100 4.241 9.059 -1.159 736 HG22 VAL 100 1HG2 VAL 100 2.703 8.938 -0.306 737 HG23 VAL 100 2HG2 VAL 100 2.992 7.945 -1.757 738 H ARG 101 H ARG 101 1.456 11.271 -5.287 739 HA ARG 101 HA ARG 101 1.810 13.942 -4.156 740 HB2 ARG 101 1HB ARG 101 2.512 15.066 -6.195 741 HB3 ARG 101 2HB ARG 101 3.707 14.032 -5.464 742 HG2 ARG 101 1HG ARG 101 4.150 13.468 -7.563 743 HG3 ARG 101 2HG ARG 101 2.922 12.265 -7.310 744 HD2 ARG 101 1HD ARG 101 1.609 13.163 -8.947 745 HD3 ARG 101 2HD ARG 101 1.686 14.768 -8.238 746 HE ARG 101 HE ARG 101 3.163 13.837 -10.496 747 HH11 ARG 101 1HH1 ARG 101 3.517 15.903 -7.662 748 HH12 ARG 101 2HH1 ARG 101 4.470 17.098 -8.430 749 HH21 ARG 101 1HH2 ARG 101 4.530 15.421 -11.568 750 HH22 ARG 101 2HH2 ARG 101 5.336 16.613 -10.608 751 H GLU 102 H GLU 102 -0.439 12.724 -3.886 752 HA GLU 102 HA GLU 102 -2.668 12.651 -4.386 753 HB2 GLU 102 1HB GLU 102 -1.983 15.604 -4.726 754 HB3 GLU 102 2HB GLU 102 -3.618 14.941 -4.479 755 HG2 GLU 102 1HG GLU 102 -2.666 13.721 -2.465 756 HG3 GLU 102 2HG GLU 102 -1.249 14.796 -2.578 757 H LEU 103 H LEU 103 -1.929 11.408 -6.374 758 HA LEU 103 HA LEU 103 -1.868 12.686 -8.942 759 HB2 LEU 103 1HB LEU 103 -2.541 9.802 -8.804 760 HB3 LEU 103 2HB LEU 103 -1.355 10.661 -9.804 761 HG LEU 103 HG LEU 103 -0.968 9.818 -6.902 762 HD11 LEU 103 1HD1 LEU 103 0.446 8.093 -7.764 763 HD12 LEU 103 2HD1 LEU 103 0.360 8.743 -9.409 764 HD13 LEU 103 3HD1 LEU 103 -1.077 8.017 -8.693 765 HD21 LEU 103 3HD2 LEU 103 1.389 10.386 -7.246 766 HD22 LEU 103 1HD2 LEU 103 0.382 11.830 -7.494 767 HD23 LEU 103 2HD2 LEU 103 1.044 10.957 -8.887 768 H GLN 104 H GLN 104 -4.499 12.016 -6.952 769 HA GLN 104 HA GLN 104 -6.496 12.549 -8.937 770 HB2 GLN 104 1HB GLN 104 -6.169 9.852 -7.577 771 HB3 GLN 104 2HB GLN 104 -7.772 10.538 -7.594 772 HG2 GLN 104 1HG GLN 104 -6.755 10.729 -10.261 773 HG3 GLN 104 2HG GLN 104 -6.384 9.109 -9.659 774 HE21 GLN 104 1HE2 GLN 104 -8.521 8.199 -8.230 775 HE22 GLN 104 2HE2 GLN 104 -10.051 8.580 -9.003 776 H ARG 105 H ARG 105 -8.468 13.235 -7.769 777 HA ARG 105 HA ARG 105 -8.147 13.435 -4.881 778 HB2 ARG 105 1HB ARG 105 -8.997 15.986 -6.275 779 HB3 ARG 105 2HB ARG 105 -8.518 15.741 -4.611 780 HG2 ARG 105 1HG ARG 105 -6.658 16.841 -5.451 781 HG3 ARG 105 2HG ARG 105 -6.142 15.165 -5.599 782 HD2 ARG 105 1HD ARG 105 -7.522 15.579 -7.965 783 HD3 ARG 105 2HD ARG 105 -6.834 17.179 -7.688 784 HE ARG 105 HE ARG 105 -4.702 15.406 -7.395 785 HH11 ARG 105 1HH1 ARG 105 -7.140 16.065 -9.917 786 HH12 ARG 105 2HH1 ARG 105 -6.072 15.725 -11.236 787 HH21 ARG 105 1HH2 ARG 105 -3.314 14.941 -9.109 788 HH22 ARG 105 2HH2 ARG 105 -3.882 14.859 -10.763 789 H ARG 106 H ARG 106 -10.384 14.414 -3.927 790 HA ARG 106 HA ARG 106 -12.318 12.538 -5.171 791 HB2 ARG 106 1HB ARG 106 -11.657 12.532 -2.642 792 HB3 ARG 106 2HB ARG 106 -12.694 13.953 -2.503 793 HG2 ARG 106 1HG ARG 106 -14.599 12.592 -3.439 794 HG3 ARG 106 2HG ARG 106 -13.463 11.249 -3.665 795 HD2 ARG 106 1HD ARG 106 -14.454 10.537 -1.801 796 HD3 ARG 106 2HD ARG 106 -13.093 11.398 -1.100 797 HE ARG 106 HE ARG 106 -14.518 13.046 -0.273 798 HH11 ARG 106 1HH1 ARG 106 -16.505 11.081 -2.511 799 HH12 ARG 106 2HH1 ARG 106 -17.901 11.109 -1.516 800 HH21 ARG 106 1HH2 ARG 106 -16.371 12.990 1.105 801 HH22 ARG 106 2HH2 ARG 106 -17.712 11.989 0.658 802 H GLU 107 H GLU 107 -14.581 13.432 -5.443 803 HA GLU 107 HA GLU 107 -14.699 16.391 -5.561 804 HB2 GLU 107 1HB GLU 107 -13.889 15.383 -7.769 805 HB3 GLU 107 2HB GLU 107 -15.495 14.697 -7.963 806 HG2 GLU 107 1HG GLU 107 -16.413 16.723 -8.498 807 HG3 GLU 107 2HG GLU 107 -15.558 17.578 -7.212 808 H TYR 108 H TYR 108 -15.779 14.931 -3.617 809 HA TYR 108 HA TYR 108 -17.557 14.226 -2.515 810 HB2 TYR 108 1HB TYR 108 -18.816 16.400 -4.208 811 HB3 TYR 108 2HB TYR 108 -19.739 15.573 -2.990 812 HD1 TYR 108 2HD TYR 108 -17.996 15.298 -0.659 813 HD2 TYR 108 1HD TYR 108 -18.496 18.589 -3.414 814 HE1 TYR 108 2HE TYR 108 -17.364 16.881 1.116 815 HE2 TYR 108 1HE TYR 108 -17.840 20.177 -1.635 816 HH TYR 108 HH TYR 108 -17.389 20.425 0.658 817 H PHE 109 H PHE 109 -17.346 13.135 -5.495 818 HA PHE 109 HA PHE 109 -19.625 11.296 -5.439 819 HB2 PHE 109 1HB PHE 109 -18.985 11.842 -7.644 820 HB3 PHE 109 2HB PHE 109 -17.280 11.914 -7.242 821 HD1 PHE 109 1HD PHE 109 -20.101 9.498 -7.630 822 HD2 PHE 109 2HD PHE 109 -15.881 10.120 -7.505 823 HE1 PHE 109 1HE PHE 109 -19.762 7.183 -8.508 824 HE2 PHE 109 2HE PHE 109 -15.490 7.786 -8.323 825 HZ PHE 109 HZ PHE 109 -17.431 6.325 -8.848 Start of MODEL 9 1 H1 GLY 1 H GLY 1 11.194 15.785 9.454 2 HA2 GLY 1 1HA GLY 1 12.505 13.736 9.318 3 HA3 GLY 1 2HA GLY 1 13.870 14.705 8.766 4 H MET 2 H MET 2 15.264 15.419 10.275 5 HA MET 2 HA MET 2 16.360 15.615 12.147 6 HB2 MET 2 1HB MET 2 13.748 15.753 13.697 7 HB3 MET 2 2HB MET 2 15.359 15.876 14.369 8 HG2 MET 2 1HG MET 2 14.644 18.064 14.186 9 HG3 MET 2 2HG MET 2 15.789 17.862 12.863 10 HE1 MET 2 3HE MET 2 12.575 19.417 13.907 11 HE2 MET 2 1HE MET 2 13.895 20.338 13.159 12 HE3 MET 2 2HE MET 2 12.301 20.258 12.369 13 H SER 3 H SER 3 13.575 13.395 12.807 14 HA SER 3 HA SER 3 15.471 11.126 12.918 15 HB2 SER 3 1HB SER 3 15.218 12.013 15.245 16 HB3 SER 3 2HB SER 3 13.473 11.745 15.133 17 HG SER 3 HG SER 3 15.604 9.910 15.326 18 H ALA 4 H ALA 4 14.330 11.185 10.749 19 HA ALA 4 HA ALA 4 12.320 9.149 10.767 20 HB1 ALA 4 1HB ALA 4 11.470 11.897 9.732 21 HB2 ALA 4 2HB ALA 4 10.576 10.378 9.493 22 HB3 ALA 4 3HB ALA 4 10.793 11.034 11.124 23 H ASP 5 H ASP 5 13.407 7.929 9.327 24 HA ASP 5 HA ASP 5 14.772 8.750 6.970 25 HB2 ASP 5 1HB ASP 5 13.392 6.143 7.737 26 HB3 ASP 5 2HB ASP 5 14.331 6.334 6.263 27 H GLY 6 H GLY 6 11.437 8.726 7.639 28 HA2 GLY 6 1HA GLY 6 10.424 8.457 4.895 29 HA3 GLY 6 2HA GLY 6 9.500 8.901 6.342 30 H SER 7 H SER 7 8.652 10.503 4.728 31 HA SER 7 HA SER 7 10.013 13.073 5.135 32 HB2 SER 7 1HB SER 7 9.355 12.022 2.349 33 HB3 SER 7 2HB SER 7 9.751 13.710 2.743 34 HG SER 7 HG SER 7 11.586 12.208 3.905 35 H GLU 8 H GLU 8 7.277 12.186 2.954 36 HA GLU 8 HA GLU 8 5.441 13.492 4.933 37 HB2 GLU 8 1HB GLU 8 4.337 14.487 3.083 38 HB3 GLU 8 2HB GLU 8 6.037 14.931 3.131 39 HG2 GLU 8 1HG GLU 8 4.869 12.870 1.227 40 HG3 GLU 8 2HG GLU 8 5.142 14.572 0.829 41 H TYR 9 H TYR 9 6.116 10.625 3.606 42 HA TYR 9 HA TYR 9 3.630 9.548 2.755 43 HB2 TYR 9 1HB TYR 9 5.463 7.808 4.454 44 HB3 TYR 9 2HB TYR 9 4.409 7.381 3.144 45 HD1 TYR 9 1HD TYR 9 5.530 9.649 1.148 46 HD2 TYR 9 2HD TYR 9 7.284 6.548 3.599 47 HE1 TYR 9 1HE TYR 9 7.465 9.529 -0.365 48 HE2 TYR 9 2HE TYR 9 9.168 6.380 2.014 49 HH TYR 9 HH TYR 9 9.368 8.273 -0.993 50 H GLY 10 H GLY 10 4.947 9.982 6.043 51 HA2 GLY 10 1HA GLY 10 2.826 8.602 7.390 52 HA3 GLY 10 2HA GLY 10 4.073 9.655 8.084 53 H ARG 11 H ARG 11 2.706 11.650 5.800 54 HA ARG 11 HA ARG 11 0.766 12.767 7.720 55 HB2 ARG 11 1HB ARG 11 1.760 13.835 5.029 56 HB3 ARG 11 2HB ARG 11 0.714 14.649 6.174 57 HG2 ARG 11 1HG ARG 11 2.749 14.120 7.853 58 HG3 ARG 11 2HG ARG 11 3.641 14.125 6.307 59 HD2 ARG 11 1HD ARG 11 3.194 16.398 5.919 60 HD3 ARG 11 2HD ARG 11 1.765 16.382 6.967 61 HE ARG 11 HE ARG 11 3.473 15.923 8.851 62 HH11 ARG 11 1HH1 ARG 11 3.707 18.402 6.295 63 HH12 ARG 11 2HH1 ARG 11 4.176 19.633 7.431 64 HH21 ARG 11 1HH2 ARG 11 4.662 17.341 10.097 65 HH22 ARG 11 2HH2 ARG 11 4.947 18.976 9.540 66 H TYR 12 H TYR 12 0.887 10.606 5.114 67 HA TYR 12 HA TYR 12 -1.906 11.133 4.254 68 HB2 TYR 12 1HB TYR 12 0.241 9.534 2.845 69 HB3 TYR 12 2HB TYR 12 -1.228 10.168 2.155 70 HD1 TYR 12 2HD TYR 12 -0.691 13.098 3.484 71 HD2 TYR 12 1HD TYR 12 1.554 10.332 1.132 72 HE1 TYR 12 2HE TYR 12 0.681 14.973 2.661 73 HE2 TYR 12 1HE TYR 12 2.870 12.246 0.163 74 HH TYR 12 HH TYR 12 2.439 15.623 1.074 75 H PHE 13 H PHE 13 0.468 8.583 5.145 76 HA PHE 13 HA PHE 13 -1.734 6.618 5.536 77 HB2 PHE 13 1HB PHE 13 1.304 6.253 5.610 78 HB3 PHE 13 2HB PHE 13 0.074 4.988 5.661 79 HD1 PHE 13 2HD PHE 13 -1.362 4.521 3.670 80 HD2 PHE 13 1HD PHE 13 2.183 6.954 3.478 81 HE1 PHE 13 2HE PHE 13 -1.242 4.168 1.204 82 HE2 PHE 13 1HE PHE 13 2.258 6.626 0.979 83 HZ PHE 13 HZ PHE 13 0.460 5.376 -0.104 84 H GLU 14 H GLU 14 -1.897 5.602 7.635 85 HA GLU 14 HA GLU 14 -0.431 6.757 9.881 86 HB2 GLU 14 1HB GLU 14 -2.352 8.275 9.506 87 HB3 GLU 14 2HB GLU 14 -3.458 6.899 9.547 88 HG2 GLU 14 1HG GLU 14 -2.823 6.515 11.943 89 HG3 GLU 14 2HG GLU 14 -1.800 7.953 11.865 90 H GLN 15 H GLN 15 -0.895 5.416 11.764 91 HA GLN 15 HA GLN 15 -0.222 2.807 11.203 92 HB2 GLN 15 1HB GLN 15 0.178 4.212 13.274 93 HB3 GLN 15 2HB GLN 15 -1.485 3.834 13.765 94 HG2 GLN 15 1HG GLN 15 -0.957 1.467 13.932 95 HG3 GLN 15 2HG GLN 15 0.654 1.734 13.263 96 HE21 GLN 15 1HE2 GLN 15 -0.712 0.878 16.038 97 HE22 GLN 15 2HE2 GLN 15 0.374 1.650 17.168 98 H LEU 16 H LEU 16 -3.496 3.907 11.392 99 HA LEU 16 HA LEU 16 -4.471 1.087 11.361 100 HB2 LEU 16 1HB LEU 16 -5.935 3.495 12.532 101 HB3 LEU 16 2HB LEU 16 -6.466 1.818 12.572 102 HG LEU 16 HG LEU 16 -4.133 3.005 14.120 103 HD11 LEU 16 1HD1 LEU 16 -6.390 3.635 14.933 104 HD12 LEU 16 2HD1 LEU 16 -5.548 2.597 16.082 105 HD13 LEU 16 3HD1 LEU 16 -6.839 1.926 15.047 106 HD21 LEU 16 3HD2 LEU 16 -5.244 0.160 14.138 107 HD22 LEU 16 1HD2 LEU 16 -4.034 0.839 15.267 108 HD23 LEU 16 2HD2 LEU 16 -3.659 0.673 13.541 109 H GLN 17 H GLN 17 -3.954 3.551 9.327 110 HA GLN 17 HA GLN 17 -6.651 3.897 8.260 111 HB2 GLN 17 1HB GLN 17 -4.344 5.431 8.003 112 HB3 GLN 17 2HB GLN 17 -4.487 4.682 6.400 113 HG2 GLN 17 1HG GLN 17 -6.966 5.382 6.457 114 HG3 GLN 17 2HG GLN 17 -6.597 6.273 7.928 115 HE21 GLN 17 1HE2 GLN 17 -3.922 7.269 6.894 116 HE22 GLN 17 2HE2 GLN 17 -4.304 8.376 5.619 117 H LYS 18 H LYS 18 -6.583 3.605 5.576 118 HA LYS 18 HA LYS 18 -6.128 0.681 5.263 119 HB2 LYS 18 1HB LYS 18 -8.513 2.421 4.661 120 HB3 LYS 18 2HB LYS 18 -8.172 1.152 3.542 121 HG2 LYS 18 1HG LYS 18 -9.388 -0.164 4.943 122 HG3 LYS 18 2HG LYS 18 -7.933 -0.220 5.936 123 HD2 LYS 18 1HD LYS 18 -9.605 0.498 7.442 124 HD3 LYS 18 2HD LYS 18 -8.717 1.960 7.015 125 HE2 LYS 18 1HE LYS 18 -10.613 2.027 5.052 126 HE3 LYS 18 2HE LYS 18 -11.474 1.043 6.227 127 HZ1 LYS 18 3HZ LYS 18 -12.074 3.188 6.784 128 HZ2 LYS 18 1HZ LYS 18 -10.544 3.818 6.674 129 HZ3 LYS 18 2HZ LYS 18 -10.968 2.789 7.890 130 H VAL 19 H VAL 19 -4.970 0.018 3.599 131 HA VAL 19 HA VAL 19 -4.280 1.970 1.419 132 HB VAL 19 HB VAL 19 -2.145 1.030 1.259 133 HG11 VAL 19 1HG1 VAL 19 -1.173 2.007 3.258 134 HG12 VAL 19 2HG1 VAL 19 -2.615 2.934 2.766 135 HG13 VAL 19 3HG1 VAL 19 -2.722 1.817 4.121 136 HG21 VAL 19 3HG2 VAL 19 -1.147 -0.488 2.857 137 HG22 VAL 19 1HG2 VAL 19 -2.703 -0.696 3.703 138 HG23 VAL 19 2HG2 VAL 19 -2.481 -1.290 2.043 139 H ASN 20 H ASN 20 -4.602 1.235 -0.568 140 HA ASN 20 HA ASN 20 -5.950 -1.173 -1.210 141 HB2 ASN 20 1HB ASN 20 -5.666 1.091 -2.452 142 HB3 ASN 20 2HB ASN 20 -4.080 0.458 -2.972 143 HD21 ASN 20 1HD2 ASN 20 -6.725 -1.992 -2.861 144 HD22 ASN 20 2HD2 ASN 20 -6.868 -1.914 -4.577 145 H LEU 21 H LEU 21 -4.974 -2.947 -2.672 146 HA LEU 21 HA LEU 21 -2.181 -3.614 -1.879 147 HB2 LEU 21 1HB LEU 21 -4.548 -5.520 -1.823 148 HB3 LEU 21 2HB LEU 21 -2.851 -5.900 -1.528 149 HG LEU 21 HG LEU 21 -4.648 -4.311 0.321 150 HD11 LEU 21 1HD1 LEU 21 -5.153 -6.702 0.128 151 HD12 LEU 21 2HD1 LEU 21 -4.342 -6.416 1.659 152 HD13 LEU 21 3HD1 LEU 21 -3.438 -7.130 0.337 153 HD21 LEU 21 3HD2 LEU 21 -2.438 -3.450 0.659 154 HD22 LEU 21 1HD2 LEU 21 -1.690 -5.051 0.472 155 HD23 LEU 21 2HD2 LEU 21 -2.659 -4.671 1.907 156 H THR 22 H THR 22 -2.732 -2.494 -4.434 157 HA THR 22 HA THR 22 -3.426 -4.519 -6.288 158 HB THR 22 HB THR 22 -1.733 -2.104 -6.864 159 HG1 THR 22 1HG THR 22 -4.584 -2.112 -6.537 160 HG21 THR 22 3HG2 THR 22 -2.998 -2.088 -8.948 161 HG22 THR 22 1HG2 THR 22 -3.977 -3.481 -8.425 162 HG23 THR 22 2HG2 THR 22 -2.247 -3.682 -8.734 163 H VAL 23 H VAL 23 -2.177 -6.246 -6.862 164 HA VAL 23 HA VAL 23 0.815 -6.068 -6.777 165 HB VAL 23 HB VAL 23 -0.886 -8.538 -6.155 166 HG11 VAL 23 1HG1 VAL 23 1.373 -9.049 -7.062 167 HG12 VAL 23 2HG1 VAL 23 2.107 -8.004 -5.837 168 HG13 VAL 23 3HG1 VAL 23 1.269 -9.504 -5.379 169 HG21 VAL 23 3HG2 VAL 23 -1.225 -7.198 -4.272 170 HG22 VAL 23 1HG2 VAL 23 0.152 -8.227 -3.808 171 HG23 VAL 23 2HG2 VAL 23 0.438 -6.566 -4.289 172 H ARG 24 H ARG 24 1.700 -6.528 -8.807 173 HA ARG 24 HA ARG 24 0.045 -7.326 -11.020 174 HB2 ARG 24 1HB ARG 24 2.036 -7.198 -12.276 175 HB3 ARG 24 2HB ARG 24 2.285 -6.007 -10.992 176 HG2 ARG 24 1HG ARG 24 3.451 -7.959 -9.733 177 HG3 ARG 24 2HG ARG 24 3.510 -8.754 -11.308 178 HD2 ARG 24 1HD ARG 24 4.491 -5.988 -11.464 179 HD3 ARG 24 2HD ARG 24 5.273 -6.884 -10.160 180 HE ARG 24 HE ARG 24 5.905 -7.063 -12.863 181 HH11 ARG 24 1HH1 ARG 24 5.484 -9.305 -10.102 182 HH12 ARG 24 2HH1 ARG 24 6.542 -10.495 -10.770 183 HH21 ARG 24 1HH2 ARG 24 7.423 -8.496 -13.547 184 HH22 ARG 24 2HH2 ARG 24 7.683 -10.026 -12.725 185 H LEU 25 H LEU 25 -0.240 -9.413 -11.889 186 HA LEU 25 HA LEU 25 1.110 -11.712 -10.504 187 HB2 LEU 25 1HB LEU 25 -1.770 -11.513 -11.434 188 HB3 LEU 25 2HB LEU 25 -0.992 -12.972 -10.856 189 HG LEU 25 HG LEU 25 -1.548 -10.511 -9.172 190 HD11 LEU 25 1HD1 LEU 25 -3.445 -11.906 -9.733 191 HD12 LEU 25 2HD1 LEU 25 -3.011 -12.187 -8.035 192 HD13 LEU 25 3HD1 LEU 25 -2.567 -13.382 -9.249 193 HD21 LEU 25 3HD2 LEU 25 -0.701 -12.019 -7.297 194 HD22 LEU 25 1HD2 LEU 25 0.536 -11.329 -8.285 195 HD23 LEU 25 2HD2 LEU 25 0.079 -12.993 -8.581 196 H GLY 26 H GLY 26 1.616 -10.338 -13.223 197 HA2 GLY 26 1HA GLY 26 2.772 -12.213 -14.720 198 HA3 GLY 26 2HA GLY 26 1.073 -12.606 -15.035 199 H ASP 27 H ASP 27 -0.112 -11.352 -16.350 200 HA ASP 27 HA ASP 27 0.803 -8.610 -17.086 201 HB2 ASP 27 1HB ASP 27 -0.011 -10.852 -19.006 202 HB3 ASP 27 2HB ASP 27 -0.142 -9.153 -19.427 203 H THR 28 H THR 28 -1.833 -10.587 -18.364 204 HA THR 28 HA THR 28 -3.897 -8.788 -17.528 205 HB THR 28 HB THR 28 -5.182 -10.675 -18.861 206 HG1 THR 28 1HG THR 28 -3.809 -12.337 -18.924 207 HG21 THR 28 3HG2 THR 28 -2.929 -9.097 -20.192 208 HG22 THR 28 1HG2 THR 28 -4.588 -8.528 -19.893 209 HG23 THR 28 2HG2 THR 28 -4.301 -9.861 -21.018 210 H GLY 29 H GLY 29 -3.115 -9.314 -15.163 211 HA2 GLY 29 1HA GLY 29 -5.183 -11.137 -14.016 212 HA3 GLY 29 2HA GLY 29 -3.466 -11.340 -13.551 213 H SER 30 H SER 30 -2.487 -10.062 -12.400 214 HA SER 30 HA SER 30 -2.114 -8.987 -10.567 215 HB2 SER 30 1HB SER 30 -3.976 -6.720 -11.107 216 HB3 SER 30 2HB SER 30 -2.365 -6.798 -10.469 217 HG SER 30 HG SER 30 -3.151 -6.850 -13.118 218 H PHE 31 H PHE 31 -3.057 -8.111 -8.415 219 HA PHE 31 HA PHE 31 -5.762 -9.121 -7.827 220 HB2 PHE 31 1HB PHE 31 -4.225 -10.797 -6.948 221 HB3 PHE 31 2HB PHE 31 -3.214 -9.592 -6.203 222 HD1 PHE 31 2HD PHE 31 -4.050 -8.332 -4.174 223 HD2 PHE 31 1HD PHE 31 -6.314 -11.559 -5.925 224 HE1 PHE 31 2HE PHE 31 -5.425 -8.495 -2.111 225 HE2 PHE 31 1HE PHE 31 -7.680 -11.713 -3.862 226 HZ PHE 31 HZ PHE 31 -7.241 -10.188 -1.954 227 H ASP 32 H ASP 32 -6.809 -7.667 -6.350 228 HA ASP 32 HA ASP 32 -5.294 -5.382 -5.298 229 HB2 ASP 32 1HB ASP 32 -5.910 -4.661 -7.476 230 HB3 ASP 32 2HB ASP 32 -7.605 -5.157 -7.250 231 H GLY 33 H GLY 33 -5.914 -5.154 -3.353 232 HA2 GLY 33 1HA GLY 33 -8.667 -5.869 -2.420 233 HA3 GLY 33 2HA GLY 33 -7.269 -6.596 -1.612 234 H THR 34 H THR 34 -8.656 -5.365 0.163 235 HA THR 34 HA THR 34 -7.444 -2.708 0.606 236 HB THR 34 HB THR 34 -9.228 -2.910 2.575 237 HG1 THR 34 1HG THR 34 -10.768 -4.124 0.555 238 HG21 THR 34 3HG2 THR 34 -10.207 -2.119 -0.188 239 HG22 THR 34 1HG2 THR 34 -9.191 -1.096 0.854 240 HG23 THR 34 2HG2 THR 34 -10.791 -1.555 1.408 241 H ALA 35 H ALA 35 -6.602 -2.521 2.826 242 HA ALA 35 HA ALA 35 -6.603 -4.769 4.564 243 HB1 ALA 35 1HB ALA 35 -3.907 -3.560 3.767 244 HB2 ALA 35 2HB ALA 35 -4.181 -4.781 5.034 245 HB3 ALA 35 3HB ALA 35 -4.465 -5.186 3.345 246 H ALA 36 H ALA 36 -5.853 -4.099 6.783 247 HA ALA 36 HA ALA 36 -6.103 -1.171 7.260 248 HB1 ALA 36 1HB ALA 36 -6.163 -1.867 9.638 249 HB2 ALA 36 2HB ALA 36 -7.469 -2.656 8.727 250 HB3 ALA 36 3HB ALA 36 -6.004 -3.566 9.160 251 H ILE 37 H ILE 37 -4.215 -0.079 7.779 252 HA ILE 37 HA ILE 37 -1.600 -1.355 7.871 253 HB ILE 37 HB ILE 37 -2.555 1.396 8.821 254 HG12 ILE 37 1HG1 ILE 37 -1.022 0.733 6.266 255 HG13 ILE 37 2HG1 ILE 37 -2.762 0.933 6.285 256 HG21 ILE 37 1HG2 ILE 37 0.297 0.411 8.306 257 HG22 ILE 37 2HG2 ILE 37 -0.187 2.050 8.807 258 HG23 ILE 37 3HG2 ILE 37 -0.415 0.733 9.898 259 HD11 ILE 37 3HD1 ILE 37 -0.842 3.144 7.114 260 HD12 ILE 37 1HD1 ILE 37 -1.547 2.981 5.532 261 HD13 ILE 37 2HD1 ILE 37 -2.609 3.240 6.913 262 H THR 38 H THR 38 -0.464 -1.652 9.810 263 HA THR 38 HA THR 38 -2.057 -1.823 12.321 264 HB THR 38 HB THR 38 -0.924 -3.988 12.749 265 HG1 THR 38 1HG THR 38 0.188 -4.978 10.989 266 HG21 THR 38 3HG2 THR 38 -2.201 -5.312 11.128 267 HG22 THR 38 1HG2 THR 38 -2.372 -3.942 10.052 268 HG23 THR 38 2HG2 THR 38 -3.163 -3.923 11.640 269 H SER 39 H SER 39 1.176 -1.570 10.821 270 HA SER 39 HA SER 39 2.191 0.021 13.111 271 HB2 SER 39 1HB SER 39 3.351 -2.594 12.045 272 HB3 SER 39 2HB SER 39 4.164 -1.529 13.208 273 HG SER 39 HG SER 39 2.566 -3.459 13.842 274 H LEU 40 H LEU 40 3.302 1.801 12.217 275 HA LEU 40 HA LEU 40 4.205 1.585 9.371 276 HB2 LEU 40 1HB LEU 40 2.124 3.097 10.514 277 HB3 LEU 40 2HB LEU 40 3.459 4.221 10.407 278 HG LEU 40 HG LEU 40 2.409 2.596 8.060 279 HD11 LEU 40 1HD1 LEU 40 1.831 5.471 8.872 280 HD12 LEU 40 2HD1 LEU 40 0.707 4.106 8.997 281 HD13 LEU 40 3HD1 LEU 40 1.260 4.641 7.412 282 HD21 LEU 40 3HD2 LEU 40 3.534 4.440 6.711 283 HD22 LEU 40 1HD2 LEU 40 4.665 3.410 7.593 284 HD23 LEU 40 2HD2 LEU 40 4.259 5.007 8.244 285 H LYS 41 H LYS 41 6.259 2.479 8.888 286 HA LYS 41 HA LYS 41 7.521 4.201 10.881 287 HB2 LYS 41 1HB LYS 41 8.297 1.570 10.672 288 HB3 LYS 41 2HB LYS 41 9.288 2.290 9.404 289 HG2 LYS 41 1HG LYS 41 9.904 4.085 11.233 290 HG3 LYS 41 2HG LYS 41 9.167 2.947 12.375 291 HD2 LYS 41 1HD LYS 41 10.762 1.177 11.459 292 HD3 LYS 41 2HD LYS 41 11.536 2.476 10.523 293 HE2 LYS 41 1HE LYS 41 11.737 3.733 12.762 294 HE3 LYS 41 2HE LYS 41 11.333 2.185 13.534 295 HZ1 LYS 41 3HZ LYS 41 13.635 2.622 11.710 296 HZ2 LYS 41 1HZ LYS 41 13.306 1.236 12.536 297 HZ3 LYS 41 2HZ LYS 41 13.720 2.592 13.344 298 H GLY 42 H GLY 42 9.827 4.719 9.418 299 HA2 GLY 42 1HA GLY 42 8.800 6.865 8.110 300 HA3 GLY 42 2HA GLY 42 10.487 6.341 7.944 301 H SER 43 H SER 43 10.167 4.049 6.500 302 HA SER 43 HA SER 43 8.505 4.494 4.060 303 HB2 SER 43 1HB SER 43 10.562 3.713 2.779 304 HB3 SER 43 2HB SER 43 10.502 5.436 3.232 305 HG SER 43 HG SER 43 12.242 5.235 4.286 306 H LEU 44 H LEU 44 8.103 2.938 6.308 307 HA LEU 44 HA LEU 44 8.009 0.361 4.932 308 HB2 LEU 44 1HB LEU 44 10.045 0.617 6.677 309 HB3 LEU 44 2HB LEU 44 8.819 0.311 7.849 310 HG LEU 44 HG LEU 44 10.372 -1.538 6.426 311 HD11 LEU 44 1HD1 LEU 44 9.134 -3.240 7.692 312 HD12 LEU 44 2HD1 LEU 44 7.921 -2.010 8.130 313 HD13 LEU 44 3HD1 LEU 44 9.639 -1.848 8.645 314 HD21 LEU 44 3HD2 LEU 44 9.007 -3.064 5.279 315 HD22 LEU 44 1HD2 LEU 44 8.952 -1.516 4.465 316 HD23 LEU 44 2HD2 LEU 44 7.568 -2.043 5.470 317 H ALA 45 H ALA 45 6.066 -0.766 5.578 318 HA ALA 45 HA ALA 45 4.697 0.110 8.020 319 HB1 ALA 45 1HB ALA 45 2.527 0.409 6.980 320 HB2 ALA 45 2HB ALA 45 3.661 1.539 6.230 321 HB3 ALA 45 3HB ALA 45 3.175 0.064 5.383 322 H TRP 46 H TRP 46 2.929 -1.553 8.517 323 HA TRP 46 HA TRP 46 3.171 -4.136 7.092 324 HB2 TRP 46 1HB TRP 46 3.251 -3.503 10.058 325 HB3 TRP 46 2HB TRP 46 2.642 -5.029 9.474 326 HD1 TRP 46 HD TRP 46 5.956 -3.055 9.579 327 HE1 TRP 46 1HE TRP 46 7.885 -4.816 9.451 328 HE3 TRP 46 3HE TRP 46 3.244 -7.277 8.581 329 HZ2 TRP 46 2HZ TRP 46 8.208 -7.568 8.658 330 HZ3 TRP 46 3HZ TRP 46 4.350 -9.415 8.062 331 HH2 TRP 46 HH TRP 46 6.840 -9.557 8.039 332 H LEU 47 H LEU 47 1.166 -5.101 6.729 333 HA LEU 47 HA LEU 47 -1.237 -3.769 7.800 334 HB2 LEU 47 1HB LEU 47 -1.393 -5.141 5.159 335 HB3 LEU 47 2HB LEU 47 -2.267 -3.788 5.761 336 HG LEU 47 HG LEU 47 -1.093 -3.232 3.848 337 HD11 LEU 47 1HD1 LEU 47 -1.377 -1.492 5.521 338 HD12 LEU 47 2HD1 LEU 47 0.076 -1.208 4.534 339 HD13 LEU 47 3HD1 LEU 47 0.235 -1.819 6.173 340 HD21 LEU 47 3HD2 LEU 47 1.655 -3.622 4.984 341 HD22 LEU 47 1HD2 LEU 47 1.120 -3.348 3.312 342 HD23 LEU 47 2HD2 LEU 47 0.796 -4.889 4.095 343 H GLU 48 H GLU 48 -3.173 -5.449 7.114 344 HA GLU 48 HA GLU 48 -2.431 -8.259 7.672 345 HB2 GLU 48 1HB GLU 48 -3.713 -8.399 9.703 346 HB3 GLU 48 2HB GLU 48 -2.541 -7.099 9.864 347 HG2 GLU 48 1HG GLU 48 -4.306 -5.424 9.479 348 HG3 GLU 48 2HG GLU 48 -5.455 -6.714 9.145 349 H LEU 49 H LEU 49 -3.621 -7.092 5.410 350 HA LEU 49 HA LEU 49 -5.347 -7.172 4.015 351 HB2 LEU 49 1HB LEU 49 -5.297 -9.876 5.204 352 HB3 LEU 49 2HB LEU 49 -6.867 -9.486 4.551 353 HG LEU 49 HG LEU 49 -4.242 -9.165 3.081 354 HD11 LEU 49 1HD1 LEU 49 -4.838 -11.583 3.404 355 HD12 LEU 49 2HD1 LEU 49 -4.956 -11.111 1.730 356 HD13 LEU 49 3HD1 LEU 49 -6.424 -11.275 2.734 357 HD21 LEU 49 3HD2 LEU 49 -5.712 -8.993 1.023 358 HD22 LEU 49 1HD2 LEU 49 -6.127 -7.718 2.162 359 HD23 LEU 49 2HD2 LEU 49 -7.157 -9.134 2.045 360 H PHE 50 H PHE 50 -7.960 -7.700 3.904 361 HA PHE 50 HA PHE 50 -9.222 -6.410 6.248 362 HB2 PHE 50 1HB PHE 50 -8.976 -5.314 3.632 363 HB3 PHE 50 2HB PHE 50 -10.579 -5.977 3.680 364 HD1 PHE 50 2HD PHE 50 -8.418 -4.108 6.153 365 HD2 PHE 50 1HD PHE 50 -12.105 -4.243 3.957 366 HE1 PHE 50 2HE PHE 50 -9.101 -1.925 7.149 367 HE2 PHE 50 1HE PHE 50 -12.836 -2.142 5.061 368 HZ PHE 50 HZ PHE 50 -11.359 -1.033 6.713 369 H GLY 51 H GLY 51 -10.926 -7.606 6.982 370 HA2 GLY 51 1HA GLY 51 -12.680 -8.979 7.001 371 HA3 GLY 51 2HA GLY 51 -12.730 -8.824 5.246 372 H ALA 52 H ALA 52 -13.040 -10.782 4.501 373 HA ALA 52 HA ALA 52 -11.249 -13.003 5.329 374 HB1 ALA 52 1HB ALA 52 -13.075 -14.486 5.410 375 HB2 ALA 52 2HB ALA 52 -13.593 -13.077 6.352 376 HB3 ALA 52 3HB ALA 52 -14.188 -13.307 4.684 377 H GLU 53 H GLU 53 -11.105 -11.141 3.027 378 HA GLU 53 HA GLU 53 -11.265 -13.140 0.847 379 HB2 GLU 53 1HB GLU 53 -11.257 -10.085 0.744 380 HB3 GLU 53 2HB GLU 53 -10.859 -11.111 -0.649 381 HG2 GLU 53 1HG GLU 53 -13.040 -12.230 -0.486 382 HG3 GLU 53 2HG GLU 53 -13.449 -11.249 0.914 383 H GLN 54 H GLN 54 -9.281 -13.483 -0.216 384 HA GLN 54 HA GLN 54 -6.898 -12.063 0.586 385 HB2 GLN 54 1HB GLN 54 -5.772 -14.012 1.662 386 HB3 GLN 54 2HB GLN 54 -7.151 -13.424 2.573 387 HG2 GLN 54 1HG GLN 54 -8.524 -15.312 1.541 388 HG3 GLN 54 2HG GLN 54 -6.994 -15.951 0.921 389 HE21 GLN 54 1HE2 GLN 54 -5.367 -16.685 2.506 390 HE22 GLN 54 2HE2 GLN 54 -5.838 -17.007 4.152 391 HA PRO 55 HA PRO 55 -5.695 -13.443 -3.363 392 HB2 PRO 55 1HB PRO 55 -2.902 -13.689 -3.138 393 HB3 PRO 55 2HB PRO 55 -3.795 -12.168 -3.351 394 HG2 PRO 55 1HG PRO 55 -2.673 -13.393 -0.852 395 HG3 PRO 55 2HG PRO 55 -2.752 -11.663 -1.333 396 HD2 PRO 55 1HD PRO 55 -4.438 -12.821 0.446 397 HD3 PRO 55 2HD PRO 55 -4.949 -11.457 -0.592 398 HA PRO 56 HA PRO 56 -4.890 -17.854 -3.585 399 HB2 PRO 56 1HB PRO 56 -2.949 -18.034 -5.604 400 HB3 PRO 56 2HB PRO 56 -4.715 -17.909 -5.869 401 HG2 PRO 56 1HG PRO 56 -2.635 -15.724 -5.858 402 HG3 PRO 56 2HG PRO 56 -3.950 -15.969 -7.052 403 HD2 PRO 56 1HD PRO 56 -4.129 -14.157 -5.072 404 HD3 PRO 56 2HD PRO 56 -5.546 -15.117 -5.530 405 HA PRO 57 HA PRO 57 -1.162 -18.432 -1.143 406 HB2 PRO 57 1HB PRO 57 -0.653 -21.090 -1.515 407 HB3 PRO 57 2HB PRO 57 -2.077 -20.520 -0.583 408 HG2 PRO 57 1HG PRO 57 -1.941 -21.334 -3.498 409 HG3 PRO 57 2HG PRO 57 -3.081 -21.926 -2.248 410 HD2 PRO 57 1HD PRO 57 -3.736 -19.919 -3.968 411 HD3 PRO 57 2HD PRO 57 -4.275 -19.870 -2.264 412 H ASN 58 H ASN 58 1.159 -19.184 -1.529 413 HA ASN 58 HA ASN 58 3.077 -18.840 -2.754 414 HB2 ASN 58 1HB ASN 58 3.460 -20.601 -4.454 415 HB3 ASN 58 2HB ASN 58 2.921 -21.136 -2.897 416 HD21 ASN 58 1HD2 ASN 58 0.997 -20.070 -5.823 417 HD22 ASN 58 2HD2 ASN 58 0.022 -21.532 -5.774 418 H THR 59 H THR 59 1.693 -16.672 -3.323 419 HA THR 59 HA THR 59 2.208 -16.186 -6.193 420 HB THR 59 HB THR 59 -0.463 -15.570 -4.825 421 HG1 THR 59 1HG THR 59 -0.395 -17.711 -5.398 422 HG21 THR 59 3HG2 THR 59 -1.108 -14.865 -7.133 423 HG22 THR 59 1HG2 THR 59 0.588 -15.064 -7.628 424 HG23 THR 59 2HG2 THR 59 0.134 -13.860 -6.388 425 H LEU 60 H LEU 60 1.084 -14.623 -3.104 426 HA LEU 60 HA LEU 60 2.315 -12.092 -3.628 427 HB2 LEU 60 1HB LEU 60 1.337 -13.602 -1.194 428 HB3 LEU 60 2HB LEU 60 2.426 -12.266 -0.939 429 HG LEU 60 HG LEU 60 -0.198 -12.034 -2.430 430 HD11 LEU 60 1HD1 LEU 60 -0.905 -10.771 -0.410 431 HD12 LEU 60 2HD1 LEU 60 0.632 -11.166 0.369 432 HD13 LEU 60 3HD1 LEU 60 -0.512 -12.461 -0.030 433 HD21 LEU 60 3HD2 LEU 60 1.813 -9.932 -1.470 434 HD22 LEU 60 1HD2 LEU 60 0.159 -9.597 -2.053 435 HD23 LEU 60 2HD2 LEU 60 1.360 -10.267 -3.160 436 H SER 61 H SER 61 4.465 -11.466 -3.473 437 HA SER 61 HA SER 61 6.293 -13.237 -1.900 438 HB2 SER 61 1HB SER 61 7.876 -13.093 -3.868 439 HB3 SER 61 2HB SER 61 6.387 -14.014 -3.987 440 HG SER 61 HG SER 61 7.146 -11.689 -5.322 441 H GLU 62 H GLU 62 8.383 -12.491 -1.610 442 HA GLU 62 HA GLU 62 8.115 -10.098 -0.145 443 HB2 GLU 62 1HB GLU 62 10.727 -11.581 -0.692 444 HB3 GLU 62 2HB GLU 62 10.403 -10.483 0.654 445 HG2 GLU 62 1HG GLU 62 8.651 -12.086 1.469 446 HG3 GLU 62 2HG GLU 62 9.122 -13.206 0.192 447 H GLY 63 H GLY 63 8.703 -10.069 -3.338 448 HA2 GLY 63 1HA GLY 63 10.109 -7.471 -3.310 449 HA3 GLY 63 2HA GLY 63 10.670 -8.777 -4.372 450 H ALA 64 H ALA 64 7.208 -8.677 -3.698 451 HA ALA 64 HA ALA 64 6.552 -8.301 -6.484 452 HB1 ALA 64 1HB ALA 64 4.296 -8.533 -5.781 453 HB2 ALA 64 2HB ALA 64 5.183 -9.563 -4.642 454 HB3 ALA 64 3HB ALA 64 4.603 -7.973 -4.155 455 H GLU 65 H GLU 65 6.222 -6.352 -7.521 456 HA GLU 65 HA GLU 65 6.511 -3.861 -5.993 457 HB2 GLU 65 1HB GLU 65 6.215 -2.742 -8.176 458 HB3 GLU 65 2HB GLU 65 7.680 -3.715 -8.026 459 HG2 GLU 65 1HG GLU 65 6.571 -5.525 -9.294 460 HG3 GLU 65 2HG GLU 65 5.144 -4.528 -9.519 461 H VAL 66 H VAL 66 4.833 -2.778 -5.429 462 HA VAL 66 HA VAL 66 2.132 -3.760 -6.050 463 HB VAL 66 HB VAL 66 1.578 -3.755 -3.657 464 HG11 VAL 66 1HG1 VAL 66 3.936 -5.620 -4.051 465 HG12 VAL 66 2HG1 VAL 66 2.467 -5.893 -3.095 466 HG13 VAL 66 3HG1 VAL 66 2.396 -5.847 -4.876 467 HG21 VAL 66 3HG2 VAL 66 4.558 -3.482 -3.088 468 HG22 VAL 66 1HG2 VAL 66 3.326 -2.239 -2.776 469 HG23 VAL 66 2HG2 VAL 66 3.272 -3.778 -1.899 470 H SER 67 H SER 67 0.489 -2.194 -5.493 471 HA SER 67 HA SER 67 1.524 0.577 -5.337 472 HB2 SER 67 1HB SER 67 -0.671 0.483 -7.102 473 HB3 SER 67 2HB SER 67 1.010 0.898 -7.415 474 HG SER 67 HG SER 67 0.486 -0.725 -8.813 475 H VAL 68 H VAL 68 0.791 1.406 -3.552 476 HA VAL 68 HA VAL 68 -1.674 0.412 -2.280 477 HB VAL 68 HB VAL 68 -1.071 1.719 -0.421 478 HG11 VAL 68 1HG1 VAL 68 0.288 -0.322 -0.590 479 HG12 VAL 68 2HG1 VAL 68 1.524 0.563 -1.514 480 HG13 VAL 68 3HG1 VAL 68 1.194 0.988 0.188 481 HG21 VAL 68 3HG2 VAL 68 -0.593 3.721 -1.109 482 HG22 VAL 68 1HG2 VAL 68 0.911 3.165 -0.339 483 HG23 VAL 68 2HG2 VAL 68 0.783 3.183 -2.116 484 H SER 69 H SER 69 -3.305 1.978 -1.674 485 HA SER 69 HA SER 69 -3.161 4.649 -2.795 486 HB2 SER 69 1HB SER 69 -5.737 3.216 -3.360 487 HB3 SER 69 2HB SER 69 -4.951 4.589 -4.165 488 HG SER 69 HG SER 69 -4.766 1.896 -4.744 489 H VAL 70 H VAL 70 -4.146 6.109 -1.336 490 HA VAL 70 HA VAL 70 -6.298 5.097 0.357 491 HB VAL 70 HB VAL 70 -4.380 4.769 1.771 492 HG11 VAL 70 1HG1 VAL 70 -2.934 6.598 2.551 493 HG12 VAL 70 2HG1 VAL 70 -2.737 6.308 0.816 494 HG13 VAL 70 3HG1 VAL 70 -3.680 7.701 1.384 495 HG21 VAL 70 3HG2 VAL 70 -5.886 7.266 2.678 496 HG22 VAL 70 1HG2 VAL 70 -6.528 5.614 2.740 497 HG23 VAL 70 2HG2 VAL 70 -5.096 6.043 3.692 498 H TRP 71 H TRP 71 -7.766 6.713 0.934 499 HA TRP 71 HA TRP 71 -7.765 9.089 -0.794 500 HB2 TRP 71 1HB TRP 71 -9.865 7.875 1.051 501 HB3 TRP 71 2HB TRP 71 -10.083 9.268 0.010 502 HD1 TRP 71 HD TRP 71 -9.678 5.489 -0.040 503 HE1 TRP 71 1HE TRP 71 -10.091 4.510 -2.345 504 HE3 TRP 71 3HE TRP 71 -10.450 9.853 -2.662 505 HZ2 TRP 71 2HZ TRP 71 -10.586 5.468 -4.999 506 HZ3 TRP 71 3HZ TRP 71 -11.052 9.709 -5.107 507 HH2 TRP 71 HH TRP 71 -11.031 7.564 -6.272 508 H THR 72 H THR 72 -6.750 10.862 0.078 509 HA THR 72 HA THR 72 -7.275 11.669 2.813 510 HB THR 72 HB THR 72 -5.577 10.025 3.356 511 HG1 THR 72 1HG THR 72 -5.241 11.742 4.578 512 HG21 THR 72 3HG2 THR 72 -3.691 11.387 1.386 513 HG22 THR 72 1HG2 THR 72 -4.524 9.847 1.085 514 HG23 THR 72 2HG2 THR 72 -3.386 9.967 2.417 515 H GLY 73 H GLY 73 -6.602 13.847 3.154 516 HA2 GLY 73 1HA GLY 73 -6.277 16.033 2.530 517 HA3 GLY 73 2HA GLY 73 -5.539 15.506 1.020 518 H GLY 74 H GLY 74 -7.366 14.106 -0.257 519 HA2 GLY 74 1HA GLY 74 -10.072 14.534 -0.155 520 HA3 GLY 74 2HA GLY 74 -9.487 15.913 -1.081 521 H ALA 75 H ALA 75 -7.258 13.574 -1.871 522 HA ALA 75 HA ALA 75 -8.889 12.418 -4.062 523 HB1 ALA 75 1HB ALA 75 -6.075 13.579 -4.315 524 HB2 ALA 75 2HB ALA 75 -7.008 12.785 -5.601 525 HB3 ALA 75 3HB ALA 75 -7.563 14.327 -4.945 526 H LEU 76 H LEU 76 -7.446 10.604 -5.117 527 HA LEU 76 HA LEU 76 -6.688 8.765 -2.974 528 HB2 LEU 76 1HB LEU 76 -8.088 8.105 -4.950 529 HB3 LEU 76 2HB LEU 76 -6.707 8.421 -5.998 530 HG LEU 76 HG LEU 76 -5.406 6.665 -4.841 531 HD11 LEU 76 1HD1 LEU 76 -7.047 5.118 -3.334 532 HD12 LEU 76 2HD1 LEU 76 -7.811 6.673 -3.041 533 HD13 LEU 76 3HD1 LEU 76 -6.098 6.469 -2.678 534 HD21 LEU 76 3HD2 LEU 76 -6.734 4.700 -5.627 535 HD22 LEU 76 1HD2 LEU 76 -6.692 6.008 -6.797 536 HD23 LEU 76 2HD2 LEU 76 -8.144 5.757 -5.807 537 H CYS 77 H CYS 77 -4.723 9.341 -2.126 538 HA CYS 77 HA CYS 77 -2.403 9.980 -3.778 539 HB2 CYS 77 1HB CYS 77 -2.780 9.292 -0.797 540 HB3 CYS 77 2HB CYS 77 -1.248 9.632 -1.570 541 HG CYS 77 HG CYS 77 -2.150 11.713 -0.158 542 H ARG 78 H ARG 78 -1.579 8.345 -4.968 543 HA ARG 78 HA ARG 78 -1.869 5.516 -4.064 544 HB2 ARG 78 1HB ARG 78 -2.664 6.322 -6.403 545 HB3 ARG 78 2HB ARG 78 -0.937 6.451 -6.768 546 HG2 ARG 78 1HG ARG 78 -2.338 3.915 -5.896 547 HG3 ARG 78 2HG ARG 78 -2.224 4.422 -7.538 548 HD2 ARG 78 1HD ARG 78 0.415 4.202 -6.206 549 HD3 ARG 78 2HD ARG 78 -0.487 2.698 -6.345 550 HE ARG 78 HE ARG 78 0.901 4.127 -8.389 551 HH11 ARG 78 1HH1 ARG 78 -2.052 2.046 -8.025 552 HH12 ARG 78 2HH1 ARG 78 -2.124 1.706 -9.691 553 HH21 ARG 78 1HH2 ARG 78 0.861 3.440 -10.526 554 HH22 ARG 78 2HH2 ARG 78 -0.408 2.410 -11.134 555 H CYS 79 H CYS 79 0.131 4.388 -3.772 556 HA CYS 79 HA CYS 79 2.507 5.938 -4.612 557 HB2 CYS 79 1HB CYS 79 2.389 4.510 -1.870 558 HB3 CYS 79 2HB CYS 79 3.702 5.536 -2.428 559 HG CYS 79 HG CYS 79 0.603 6.493 -2.096 560 H ASP 80 H ASP 80 4.291 4.631 -5.200 561 HA ASP 80 HA ASP 80 3.622 1.784 -5.854 562 HB2 ASP 80 1HB ASP 80 6.088 3.482 -6.447 563 HB3 ASP 80 2HB ASP 80 5.948 1.763 -6.819 564 H GLY 81 H GLY 81 4.733 0.117 -4.736 565 HA2 GLY 81 1HA GLY 81 6.946 0.791 -2.914 566 HA3 GLY 81 2HA GLY 81 5.487 0.036 -2.253 567 H ARG 82 H ARG 82 7.474 -1.492 -1.807 568 HA ARG 82 HA ARG 82 6.899 -3.733 -3.590 569 HB2 ARG 82 1HB ARG 82 9.745 -3.347 -2.624 570 HB3 ARG 82 2HB ARG 82 9.072 -4.781 -3.435 571 HG2 ARG 82 1HG ARG 82 8.347 -3.034 -5.263 572 HG3 ARG 82 2HG ARG 82 9.599 -2.017 -4.560 573 HD2 ARG 82 1HD ARG 82 10.040 -4.877 -5.547 574 HD3 ARG 82 2HD ARG 82 10.077 -3.451 -6.576 575 HE ARG 82 HE ARG 82 11.869 -3.402 -4.228 576 HH11 ARG 82 1HH1 ARG 82 11.629 -3.572 -7.775 577 HH12 ARG 82 2HH1 ARG 82 13.334 -3.644 -8.008 578 HH21 ARG 82 1HH2 ARG 82 14.031 -3.528 -4.501 579 HH22 ARG 82 2HH2 ARG 82 14.766 -3.953 -6.001 580 H VAL 83 H VAL 83 7.029 -5.813 -2.367 581 HA VAL 83 HA VAL 83 5.772 -5.611 0.077 582 HB VAL 83 HB VAL 83 7.201 -7.896 -1.246 583 HG11 VAL 83 1HG1 VAL 83 5.943 -9.422 0.233 584 HG12 VAL 83 2HG1 VAL 83 7.137 -8.486 1.127 585 HG13 VAL 83 3HG1 VAL 83 5.426 -8.032 1.227 586 HG21 VAL 83 3HG2 VAL 83 5.176 -7.003 -2.358 587 HG22 VAL 83 1HG2 VAL 83 4.882 -8.647 -1.764 588 HG23 VAL 83 2HG2 VAL 83 4.234 -7.252 -0.883 589 H GLU 84 H GLU 84 9.236 -5.788 -0.404 590 HA GLU 84 HA GLU 84 11.023 -5.500 0.970 591 HB2 GLU 84 1HB GLU 84 9.491 -3.712 1.993 592 HB3 GLU 84 2HB GLU 84 9.242 -4.811 3.325 593 HG2 GLU 84 1HG GLU 84 12.013 -3.944 2.407 594 HG3 GLU 84 2HG GLU 84 11.048 -2.984 3.522 595 H THR 85 H THR 85 8.446 -7.027 2.995 596 HA THR 85 HA THR 85 9.876 -9.575 3.108 597 HB THR 85 HB THR 85 9.376 -7.809 5.561 598 HG1 THR 85 1HG THR 85 11.446 -7.901 4.018 599 HG21 THR 85 3HG2 THR 85 10.422 -10.658 5.376 600 HG22 THR 85 1HG2 THR 85 8.880 -10.156 6.111 601 HG23 THR 85 2HG2 THR 85 10.414 -9.665 6.846 602 H LEU 86 H LEU 86 8.282 -11.085 2.950 603 HA LEU 86 HA LEU 86 5.467 -10.308 3.472 604 HB2 LEU 86 1HB LEU 86 6.286 -11.469 1.252 605 HB3 LEU 86 2HB LEU 86 6.411 -12.909 2.239 606 HG LEU 86 HG LEU 86 3.879 -12.175 2.900 607 HD11 LEU 86 1HD1 LEU 86 4.081 -10.082 1.474 608 HD12 LEU 86 2HD1 LEU 86 2.712 -11.124 1.092 609 HD13 LEU 86 3HD1 LEU 86 4.162 -11.125 0.054 610 HD21 LEU 86 3HD2 LEU 86 3.019 -13.619 1.113 611 HD22 LEU 86 1HD2 LEU 86 4.436 -14.317 1.907 612 HD23 LEU 86 2HD2 LEU 86 4.609 -13.568 0.302 613 H ARG 87 H ARG 87 4.211 -11.788 4.839 614 HA ARG 87 HA ARG 87 5.827 -13.589 6.576 615 HB2 ARG 87 1HB ARG 87 5.461 -11.440 7.686 616 HB3 ARG 87 2HB ARG 87 3.713 -11.600 7.475 617 HG2 ARG 87 1HG ARG 87 3.787 -13.668 8.918 618 HG3 ARG 87 2HG ARG 87 5.519 -13.371 9.167 619 HD2 ARG 87 1HD ARG 87 4.980 -11.123 10.076 620 HD3 ARG 87 2HD ARG 87 3.254 -11.440 9.850 621 HE ARG 87 HE ARG 87 4.201 -13.561 11.397 622 HH11 ARG 87 1HH1 ARG 87 3.804 -10.014 11.790 623 HH12 ARG 87 2HH1 ARG 87 3.683 -10.142 13.509 624 HH21 ARG 87 1HH2 ARG 87 4.305 -13.629 13.596 625 HH22 ARG 87 2HH2 ARG 87 4.220 -12.202 14.584 626 H ASP 88 H ASP 88 2.463 -12.779 5.449 627 HA ASP 88 HA ASP 88 1.842 -15.672 5.315 628 HB2 ASP 88 1HB ASP 88 0.010 -13.500 6.447 629 HB3 ASP 88 2HB ASP 88 -0.470 -15.148 6.095 630 H ASP 89 H ASP 89 -0.392 -15.742 3.976 631 HA ASP 89 HA ASP 89 -0.538 -14.298 1.587 632 HB2 ASP 89 1HB ASP 89 -2.992 -15.090 3.197 633 HB3 ASP 89 2HB ASP 89 -2.797 -15.052 1.452 634 H ARG 90 H ARG 90 -1.115 -13.267 4.809 635 HA ARG 90 HA ARG 90 -2.909 -11.044 4.006 636 HB2 ARG 90 1HB ARG 90 -3.928 -11.355 6.322 637 HB3 ARG 90 2HB ARG 90 -4.283 -12.569 5.105 638 HG2 ARG 90 1HG ARG 90 -2.631 -14.114 6.096 639 HG3 ARG 90 2HG ARG 90 -2.403 -12.959 7.433 640 HD2 ARG 90 1HD ARG 90 -4.798 -13.158 8.012 641 HD3 ARG 90 2HD ARG 90 -5.099 -14.052 6.525 642 HE ARG 90 HE ARG 90 -4.635 -15.948 7.540 643 HH11 ARG 90 1HH1 ARG 90 -3.112 -13.389 9.500 644 HH12 ARG 90 2HH1 ARG 90 -2.252 -14.523 10.522 645 HH21 ARG 90 1HH2 ARG 90 -3.655 -17.378 9.004 646 HH22 ARG 90 2HH2 ARG 90 -2.836 -16.804 10.440 647 H GLN 91 H GLN 91 -0.510 -11.944 6.553 648 HA GLN 91 HA GLN 91 -0.112 -9.088 7.105 649 HB2 GLN 91 1HB GLN 91 1.437 -11.501 8.151 650 HB3 GLN 91 2HB GLN 91 1.435 -9.869 8.790 651 HG2 GLN 91 1HG GLN 91 -1.027 -10.230 9.365 652 HG3 GLN 91 2HG GLN 91 -0.805 -11.933 8.920 653 HE21 GLN 91 1HE2 GLN 91 0.999 -13.151 10.057 654 HE22 GLN 91 2HE2 GLN 91 1.267 -12.733 11.743 655 H PHE 92 H PHE 92 1.527 -7.917 6.161 656 HA PHE 92 HA PHE 92 4.085 -9.086 5.662 657 HB2 PHE 92 1HB PHE 92 4.104 -8.467 3.180 658 HB3 PHE 92 2HB PHE 92 3.301 -9.945 3.652 659 HD1 PHE 92 1HD PHE 92 2.642 -6.430 2.588 660 HD2 PHE 92 2HD PHE 92 0.998 -10.366 3.227 661 HE1 PHE 92 1HE PHE 92 0.590 -5.754 1.393 662 HE2 PHE 92 2HE PHE 92 -1.051 -9.709 1.999 663 HZ PHE 92 HZ PHE 92 -1.263 -7.399 1.081 664 H ALA 93 H ALA 93 5.582 -7.406 4.784 665 HA ALA 93 HA ALA 93 4.918 -4.803 5.925 666 HB1 ALA 93 1HB ALA 93 7.525 -5.710 4.651 667 HB2 ALA 93 2HB ALA 93 7.261 -4.357 5.779 668 HB3 ALA 93 3HB ALA 93 7.122 -6.020 6.345 669 H ILE 94 H ILE 94 5.783 -2.894 4.505 670 HA ILE 94 HA ILE 94 6.114 -3.372 1.673 671 HB ILE 94 HB ILE 94 4.646 -1.317 1.207 672 HG12 ILE 94 1HG1 ILE 94 3.122 -2.243 3.662 673 HG13 ILE 94 2HG1 ILE 94 4.072 -0.770 3.536 674 HG21 ILE 94 1HG2 ILE 94 3.124 -3.890 1.697 675 HG22 ILE 94 2HG2 ILE 94 2.807 -2.684 0.458 676 HG23 ILE 94 3HG2 ILE 94 4.280 -3.668 0.369 677 HD11 ILE 94 3HD1 ILE 94 1.761 -0.197 3.230 678 HD12 ILE 94 1HD1 ILE 94 2.619 0.032 1.699 679 HD13 ILE 94 2HD1 ILE 94 1.568 -1.389 1.932 680 H ARG 95 H ARG 95 7.743 -2.159 0.997 681 HA ARG 95 HA ARG 95 8.646 0.367 2.418 682 HB2 ARG 95 1HB ARG 95 10.154 -1.710 1.436 683 HB3 ARG 95 2HB ARG 95 9.981 -0.792 -0.052 684 HG2 ARG 95 1HG ARG 95 11.151 0.199 2.587 685 HG3 ARG 95 2HG ARG 95 12.072 -0.348 1.189 686 HD2 ARG 95 1HD ARG 95 11.170 1.481 -0.184 687 HD3 ARG 95 2HD ARG 95 10.204 2.038 1.205 688 HE ARG 95 HE ARG 95 12.754 1.983 2.172 689 HH11 ARG 95 1HH1 ARG 95 11.022 3.769 -0.347 690 HH12 ARG 95 2HH1 ARG 95 12.144 5.074 -0.453 691 HH21 ARG 95 1HH2 ARG 95 13.998 3.808 2.341 692 HH22 ARG 95 2HH2 ARG 95 13.901 5.123 1.193 693 H LEU 96 H LEU 96 7.984 2.182 1.684 694 HA LEU 96 HA LEU 96 6.311 2.414 -0.760 695 HB2 LEU 96 1HB LEU 96 7.114 4.550 1.267 696 HB3 LEU 96 2HB LEU 96 5.794 4.621 0.107 697 HG LEU 96 HG LEU 96 5.963 2.815 2.578 698 HD11 LEU 96 1HD1 LEU 96 4.217 5.229 1.968 699 HD12 LEU 96 2HD1 LEU 96 5.511 5.113 3.183 700 HD13 LEU 96 3HD1 LEU 96 4.041 4.160 3.379 701 HD21 LEU 96 3HD2 LEU 96 4.749 1.706 0.731 702 HD22 LEU 96 1HD2 LEU 96 3.709 3.128 0.562 703 HD23 LEU 96 2HD2 LEU 96 3.658 2.152 2.052 704 H VAL 97 H VAL 97 7.211 3.482 -2.667 705 HA VAL 97 HA VAL 97 10.001 4.489 -2.319 706 HB VAL 97 HB VAL 97 10.610 3.463 -4.388 707 HG11 VAL 97 1HG1 VAL 97 11.017 2.267 -2.289 708 HG12 VAL 97 2HG1 VAL 97 9.480 1.388 -2.478 709 HG13 VAL 97 3HG1 VAL 97 10.792 1.162 -3.650 710 HG21 VAL 97 3HG2 VAL 97 9.352 1.878 -5.610 711 HG22 VAL 97 1HG2 VAL 97 8.023 1.914 -4.452 712 HG23 VAL 97 2HG2 VAL 97 8.347 3.328 -5.469 713 H GLY 98 H GLY 98 10.846 5.786 -4.032 714 HA2 GLY 98 1HA GLY 98 10.983 7.657 -5.179 715 HA3 GLY 98 2HA GLY 98 9.354 7.392 -5.843 716 H ARG 99 H ARG 99 7.919 8.596 -5.197 717 HA ARG 99 HA ARG 99 7.556 9.484 -2.496 718 HB2 ARG 99 1HB ARG 99 9.001 11.284 -3.756 719 HB3 ARG 99 2HB ARG 99 7.493 11.775 -4.517 720 HG2 ARG 99 1HG ARG 99 7.669 11.492 -1.493 721 HG3 ARG 99 2HG ARG 99 8.385 12.889 -2.239 722 HD2 ARG 99 1HD ARG 99 5.557 12.256 -2.987 723 HD3 ARG 99 2HD ARG 99 5.861 12.877 -1.367 724 HE ARG 99 HE ARG 99 7.215 14.670 -2.802 725 HH11 ARG 99 1HH1 ARG 99 3.998 13.313 -3.554 726 HH12 ARG 99 2HH1 ARG 99 3.355 14.801 -4.132 727 HH21 ARG 99 1HH2 ARG 99 6.258 16.691 -3.424 728 HH22 ARG 99 2HH2 ARG 99 4.721 16.711 -4.228 729 H VAL 100 H VAL 100 5.366 10.048 -2.101 730 HA VAL 100 HA VAL 100 3.353 8.697 -3.438 731 HB VAL 100 HB VAL 100 3.281 11.242 -1.775 732 HG11 VAL 100 1HG1 VAL 100 1.041 10.336 -0.976 733 HG12 VAL 100 2HG1 VAL 100 1.100 11.040 -2.585 734 HG13 VAL 100 3HG1 VAL 100 1.082 9.276 -2.388 735 HG21 VAL 100 3HG2 VAL 100 4.244 8.715 -0.917 736 HG22 VAL 100 1HG2 VAL 100 3.817 10.149 0.058 737 HG23 VAL 100 2HG2 VAL 100 2.647 8.866 -0.218 738 H ARG 101 H ARG 101 1.576 9.419 -4.876 739 HA ARG 101 HA ARG 101 1.646 12.191 -5.823 740 HB2 ARG 101 1HB ARG 101 3.087 10.881 -7.398 741 HB3 ARG 101 2HB ARG 101 1.768 9.756 -7.672 742 HG2 ARG 101 1HG ARG 101 0.413 11.678 -8.579 743 HG3 ARG 101 2HG ARG 101 1.821 12.720 -8.385 744 HD2 ARG 101 1HD ARG 101 1.734 10.175 -10.076 745 HD3 ARG 101 2HD ARG 101 1.388 11.786 -10.707 746 HE ARG 101 HE ARG 101 3.738 12.345 -9.711 747 HH11 ARG 101 1HH1 ARG 101 2.825 9.536 -11.748 748 HH12 ARG 101 2HH1 ARG 101 4.486 9.199 -12.112 749 HH21 ARG 101 1HH2 ARG 101 5.816 11.848 -10.273 750 HH22 ARG 101 2HH2 ARG 101 6.171 10.715 -11.567 751 H GLU 102 H GLU 102 -0.501 12.750 -6.787 752 HA GLU 102 HA GLU 102 -2.673 10.941 -5.915 753 HB2 GLU 102 1HB GLU 102 -4.181 12.857 -6.417 754 HB3 GLU 102 2HB GLU 102 -3.082 13.055 -5.069 755 HG2 GLU 102 1HG GLU 102 -3.177 15.136 -6.148 756 HG3 GLU 102 2HG GLU 102 -1.585 14.468 -6.477 757 H LEU 103 H LEU 103 -3.699 9.713 -7.404 758 HA LEU 103 HA LEU 103 -3.389 10.499 -10.254 759 HB2 LEU 103 1HB LEU 103 -3.402 7.750 -10.369 760 HB3 LEU 103 2HB LEU 103 -2.120 8.846 -10.826 761 HG LEU 103 HG LEU 103 -2.326 7.727 -8.045 762 HD11 LEU 103 1HD1 LEU 103 -2.256 5.794 -9.442 763 HD12 LEU 103 2HD1 LEU 103 -0.581 6.048 -8.929 764 HD13 LEU 103 3HD1 LEU 103 -1.071 6.530 -10.554 765 HD21 LEU 103 3HD2 LEU 103 0.087 8.098 -7.910 766 HD22 LEU 103 1HD2 LEU 103 -0.679 9.607 -8.443 767 HD23 LEU 103 2HD2 LEU 103 0.138 8.583 -9.620 768 H GLN 104 H GLN 104 -5.676 9.662 -7.856 769 HA GLN 104 HA GLN 104 -7.658 9.744 -9.993 770 HB2 GLN 104 1HB GLN 104 -7.974 7.801 -7.673 771 HB3 GLN 104 2HB GLN 104 -9.174 8.180 -8.877 772 HG2 GLN 104 1HG GLN 104 -7.672 7.196 -10.637 773 HG3 GLN 104 2HG GLN 104 -6.575 6.669 -9.339 774 HE21 GLN 104 1HE2 GLN 104 -8.305 5.056 -11.304 775 HE22 GLN 104 2HE2 GLN 104 -9.366 4.095 -10.300 776 H ARG 105 H ARG 105 -9.627 10.731 -9.338 777 HA ARG 105 HA ARG 105 -9.501 12.100 -6.696 778 HB2 ARG 105 1HB ARG 105 -11.039 12.995 -9.169 779 HB3 ARG 105 2HB ARG 105 -10.905 13.820 -7.626 780 HG2 ARG 105 1HG ARG 105 -9.417 15.018 -8.887 781 HG3 ARG 105 2HG ARG 105 -8.344 13.892 -8.065 782 HD2 ARG 105 1HD ARG 105 -7.521 13.337 -10.096 783 HD3 ARG 105 2HD ARG 105 -9.051 12.547 -10.444 784 HE ARG 105 HE ARG 105 -8.797 15.446 -10.957 785 HH11 ARG 105 1HH1 ARG 105 -8.922 12.157 -12.366 786 HH12 ARG 105 2HH1 ARG 105 -9.167 12.693 -13.978 787 HH21 ARG 105 1HH2 ARG 105 -9.002 16.163 -13.094 788 HH22 ARG 105 2HH2 ARG 105 -9.293 15.076 -14.405 789 H ARG 106 H ARG 106 -11.165 9.757 -8.566 790 HA ARG 106 HA ARG 106 -13.060 8.976 -6.599 791 HB2 ARG 106 1HB ARG 106 -13.739 11.250 -8.297 792 HB3 ARG 106 2HB ARG 106 -14.855 9.954 -8.618 793 HG2 ARG 106 1HG ARG 106 -14.275 10.809 -5.761 794 HG3 ARG 106 2HG ARG 106 -15.352 11.761 -6.800 795 HD2 ARG 106 1HD ARG 106 -16.707 9.663 -7.201 796 HD3 ARG 106 2HD ARG 106 -15.714 8.863 -5.962 797 HE ARG 106 HE ARG 106 -16.649 11.294 -4.876 798 HH11 ARG 106 1HH1 ARG 106 -18.438 8.541 -6.238 799 HH12 ARG 106 2HH1 ARG 106 -19.601 8.503 -4.981 800 HH21 ARG 106 1HH2 ARG 106 -18.377 11.520 -3.531 801 HH22 ARG 106 2HH2 ARG 106 -19.713 10.413 -3.565 802 H GLU 107 H GLU 107 -14.979 7.917 -8.489 803 HA GLU 107 HA GLU 107 -15.313 6.047 -9.701 804 HB2 GLU 107 1HB GLU 107 -13.199 7.445 -11.344 805 HB3 GLU 107 2HB GLU 107 -14.007 5.965 -11.891 806 HG2 GLU 107 1HG GLU 107 -16.174 6.936 -11.763 807 HG3 GLU 107 2HG GLU 107 -15.611 8.343 -10.884 808 H TYR 108 H TYR 108 -14.363 5.340 -7.546 809 HA TYR 108 HA TYR 108 -12.274 3.422 -7.823 810 HB2 TYR 108 1HB TYR 108 -12.527 2.857 -5.660 811 HB3 TYR 108 2HB TYR 108 -12.303 4.592 -5.825 812 HD1 TYR 108 2HD TYR 108 -15.450 3.800 -6.784 813 HD2 TYR 108 1HD TYR 108 -13.098 4.245 -3.294 814 HE1 TYR 108 2HE TYR 108 -17.613 4.131 -5.425 815 HE2 TYR 108 1HE TYR 108 -15.150 4.566 -1.881 816 HH TYR 108 HH TYR 108 -17.573 4.087 -1.961 817 H PHE 109 H PHE 109 -14.225 3.018 -9.584 818 HA PHE 109 HA PHE 109 -14.838 0.232 -9.347 819 HB2 PHE 109 1HB PHE 109 -17.243 0.338 -9.688 820 HB3 PHE 109 2HB PHE 109 -16.817 1.043 -8.135 821 HD1 PHE 109 2HD PHE 109 -17.802 1.877 -11.667 822 HD2 PHE 109 1HD PHE 109 -17.495 3.269 -7.606 823 HE1 PHE 109 2HE PHE 109 -19.063 3.914 -12.277 824 HE2 PHE 109 1HE PHE 109 -18.751 5.331 -8.221 825 HZ PHE 109 HZ PHE 109 -19.504 5.664 -10.567 Start of MODEL 10 1 H1 GLY 1 H GLY 1 15.192 24.151 -4.090 2 HA2 GLY 1 1HA GLY 1 14.139 22.227 -6.095 3 HA3 GLY 1 2HA GLY 1 15.859 22.636 -5.897 4 H MET 2 H MET 2 14.790 19.939 -5.660 5 HA MET 2 HA MET 2 15.657 19.311 -2.941 6 HB2 MET 2 1HB MET 2 13.691 17.900 -2.508 7 HB3 MET 2 2HB MET 2 13.230 19.590 -2.639 8 HG2 MET 2 1HG MET 2 12.403 19.200 -4.941 9 HG3 MET 2 2HG MET 2 12.974 17.532 -4.872 10 HE1 MET 2 3HE MET 2 11.404 15.637 -4.524 11 HE2 MET 2 1HE MET 2 9.658 15.991 -4.508 12 HE3 MET 2 2HE MET 2 10.708 16.702 -5.747 13 H SER 3 H SER 3 16.040 16.933 -2.751 14 HA SER 3 HA SER 3 15.508 15.172 -4.914 15 HB2 SER 3 1HB SER 3 18.446 15.777 -4.387 16 HB3 SER 3 2HB SER 3 17.847 14.362 -5.267 17 HG SER 3 HG SER 3 16.908 16.840 -6.091 18 H ALA 4 H ALA 4 14.496 13.929 -3.520 19 HA ALA 4 HA ALA 4 15.891 12.249 -1.713 20 HB1 ALA 4 1HB ALA 4 15.454 14.032 -0.065 21 HB2 ALA 4 2HB ALA 4 13.730 14.050 -0.524 22 HB3 ALA 4 3HB ALA 4 14.436 12.618 0.256 23 H ASP 5 H ASP 5 12.745 13.624 -2.659 24 HA ASP 5 HA ASP 5 10.916 12.816 -3.667 25 HB2 ASP 5 1HB ASP 5 12.924 10.930 -4.900 26 HB3 ASP 5 2HB ASP 5 11.220 10.956 -5.351 27 H GLY 6 H GLY 6 11.046 12.310 -1.087 28 HA2 GLY 6 1HA GLY 6 9.034 10.465 -0.646 29 HA3 GLY 6 2HA GLY 6 10.562 9.577 -0.412 30 H SER 7 H SER 7 8.289 10.789 1.459 31 HA SER 7 HA SER 7 9.807 11.185 3.795 32 HB2 SER 7 1HB SER 7 9.469 13.681 4.022 33 HB3 SER 7 2HB SER 7 10.723 13.143 2.906 34 HG SER 7 HG SER 7 9.576 14.707 1.833 35 H GLU 8 H GLU 8 7.278 13.150 2.463 36 HA GLU 8 HA GLU 8 5.489 13.425 4.595 37 HB2 GLU 8 1HB GLU 8 5.309 13.783 1.579 38 HB3 GLU 8 2HB GLU 8 3.963 14.162 2.644 39 HG2 GLU 8 1HG GLU 8 4.800 16.135 3.169 40 HG3 GLU 8 2HG GLU 8 6.232 15.411 3.839 41 H TYR 9 H TYR 9 5.973 10.478 3.619 42 HA TYR 9 HA TYR 9 3.519 9.421 2.699 43 HB2 TYR 9 1HB TYR 9 5.547 7.966 4.434 44 HB3 TYR 9 2HB TYR 9 4.449 7.312 3.227 45 HD1 TYR 9 1HD TYR 9 5.284 9.633 1.104 46 HD2 TYR 9 2HD TYR 9 7.427 6.783 3.546 47 HE1 TYR 9 1HE TYR 9 7.054 9.487 -0.597 48 HE2 TYR 9 2HE TYR 9 9.143 6.570 1.796 49 HH TYR 9 HH TYR 9 9.851 7.324 -0.355 50 H GLY 10 H GLY 10 4.795 9.900 6.028 51 HA2 GLY 10 1HA GLY 10 2.515 8.656 7.299 52 HA3 GLY 10 2HA GLY 10 3.849 9.523 8.053 53 H ARG 11 H ARG 11 2.700 11.663 5.749 54 HA ARG 11 HA ARG 11 0.713 12.917 7.539 55 HB2 ARG 11 1HB ARG 11 1.976 13.769 4.871 56 HB3 ARG 11 2HB ARG 11 0.719 14.636 5.661 57 HG2 ARG 11 1HG ARG 11 2.203 15.772 6.771 58 HG3 ARG 11 2HG ARG 11 2.604 14.317 7.717 59 HD2 ARG 11 1HD ARG 11 4.370 13.729 6.304 60 HD3 ARG 11 2HD ARG 11 3.942 14.982 5.111 61 HE ARG 11 HE ARG 11 5.373 15.293 7.647 62 HH11 ARG 11 1HH1 ARG 11 3.495 17.067 5.205 63 HH12 ARG 11 2HH1 ARG 11 4.162 18.607 5.612 64 HH21 ARG 11 1HH2 ARG 11 6.115 17.288 8.268 65 HH22 ARG 11 2HH2 ARG 11 5.799 18.731 7.297 66 H TYR 12 H TYR 12 0.922 10.611 4.959 67 HA TYR 12 HA TYR 12 -1.842 11.239 4.089 68 HB2 TYR 12 1HB TYR 12 0.215 9.634 2.581 69 HB3 TYR 12 2HB TYR 12 -1.290 10.294 1.993 70 HD1 TYR 12 1HD TYR 12 -0.391 13.198 3.415 71 HD2 TYR 12 2HD TYR 12 1.186 10.446 0.530 72 HE1 TYR 12 1HE TYR 12 0.849 15.046 2.356 73 HE2 TYR 12 2HE TYR 12 2.386 12.287 -0.606 74 HH TYR 12 HH TYR 12 2.343 14.691 -0.805 75 H PHE 13 H PHE 13 0.371 8.556 4.922 76 HA PHE 13 HA PHE 13 -1.907 6.645 5.152 77 HB2 PHE 13 1HB PHE 13 1.091 6.168 5.441 78 HB3 PHE 13 2HB PHE 13 -0.180 4.949 5.468 79 HD1 PHE 13 2HD PHE 13 -1.466 4.409 3.248 80 HD2 PHE 13 1HD PHE 13 2.098 6.858 3.409 81 HE1 PHE 13 2HE PHE 13 -1.261 4.204 0.867 82 HE2 PHE 13 1HE PHE 13 2.353 6.553 0.967 83 HZ PHE 13 HZ PHE 13 0.680 5.281 -0.319 84 H GLU 14 H GLU 14 -2.065 5.548 7.285 85 HA GLU 14 HA GLU 14 -0.661 6.757 9.515 86 HB2 GLU 14 1HB GLU 14 -2.520 8.308 9.064 87 HB3 GLU 14 2HB GLU 14 -3.667 6.978 9.118 88 HG2 GLU 14 1HG GLU 14 -1.998 7.343 11.570 89 HG3 GLU 14 2HG GLU 14 -3.128 8.642 11.191 90 H GLN 15 H GLN 15 -1.124 5.543 11.400 91 HA GLN 15 HA GLN 15 -0.380 2.907 11.136 92 HB2 GLN 15 1HB GLN 15 0.229 4.141 12.996 93 HB3 GLN 15 2HB GLN 15 -1.424 4.627 13.396 94 HG2 GLN 15 1HG GLN 15 -1.971 2.556 14.366 95 HG3 GLN 15 2HG GLN 15 -0.601 1.735 13.608 96 HE21 GLN 15 1HE2 GLN 15 -0.451 0.975 15.983 97 HE22 GLN 15 2HE2 GLN 15 0.652 1.934 16.956 98 H LEU 16 H LEU 16 -3.714 3.926 11.396 99 HA LEU 16 HA LEU 16 -4.517 1.031 11.452 100 HB2 LEU 16 1HB LEU 16 -6.100 3.465 12.417 101 HB3 LEU 16 2HB LEU 16 -6.593 1.774 12.570 102 HG LEU 16 HG LEU 16 -4.263 3.100 14.025 103 HD11 LEU 16 1HD1 LEU 16 -5.681 2.771 16.020 104 HD12 LEU 16 2HD1 LEU 16 -6.986 2.132 14.999 105 HD13 LEU 16 3HD1 LEU 16 -6.461 3.824 14.833 106 HD21 LEU 16 3HD2 LEU 16 -4.152 0.979 15.314 107 HD22 LEU 16 1HD2 LEU 16 -3.765 0.728 13.610 108 HD23 LEU 16 2HD2 LEU 16 -5.362 0.262 14.229 109 H GLN 17 H GLN 17 -4.164 3.456 9.312 110 HA GLN 17 HA GLN 17 -6.792 3.632 8.116 111 HB2 GLN 17 1HB GLN 17 -4.639 5.236 8.147 112 HB3 GLN 17 2HB GLN 17 -4.186 4.278 6.723 113 HG2 GLN 17 1HG GLN 17 -6.296 4.999 5.616 114 HG3 GLN 17 2HG GLN 17 -6.866 5.670 7.147 115 HE21 GLN 17 1HE2 GLN 17 -4.037 6.029 4.915 116 HE22 GLN 17 2HE2 GLN 17 -3.946 7.780 5.091 117 H LYS 18 H LYS 18 -6.824 3.154 5.594 118 HA LYS 18 HA LYS 18 -5.881 0.356 5.264 119 HB2 LYS 18 1HB LYS 18 -8.393 1.768 4.274 120 HB3 LYS 18 2HB LYS 18 -7.853 0.175 3.729 121 HG2 LYS 18 1HG LYS 18 -9.136 -0.592 5.386 122 HG3 LYS 18 2HG LYS 18 -7.708 -0.286 6.372 123 HD2 LYS 18 1HD LYS 18 -9.336 0.693 7.692 124 HD3 LYS 18 2HD LYS 18 -8.856 2.108 6.728 125 HE2 LYS 18 1HE LYS 18 -10.633 1.255 5.017 126 HE3 LYS 18 2HE LYS 18 -11.218 0.232 6.328 127 HZ1 LYS 18 3HZ LYS 18 -11.101 3.182 6.277 128 HZ2 LYS 18 1HZ LYS 18 -11.628 2.313 7.587 129 HZ3 LYS 18 2HZ LYS 18 -12.442 2.215 6.174 130 H VAL 19 H VAL 19 -5.253 -0.358 3.151 131 HA VAL 19 HA VAL 19 -4.398 1.752 1.195 132 HB VAL 19 HB VAL 19 -2.240 0.885 1.039 133 HG11 VAL 19 1HG1 VAL 19 -2.864 1.730 3.907 134 HG12 VAL 19 2HG1 VAL 19 -1.316 1.889 3.034 135 HG13 VAL 19 3HG1 VAL 19 -2.748 2.778 2.480 136 HG21 VAL 19 3HG2 VAL 19 -2.487 -1.441 1.864 137 HG22 VAL 19 1HG2 VAL 19 -1.220 -0.586 2.718 138 HG23 VAL 19 2HG2 VAL 19 -2.806 -0.837 3.502 139 H ASN 20 H ASN 20 -4.825 1.096 -0.833 140 HA ASN 20 HA ASN 20 -5.940 -1.440 -1.474 141 HB2 ASN 20 1HB ASN 20 -6.162 0.813 -2.727 142 HB3 ASN 20 2HB ASN 20 -4.511 0.535 -3.314 143 HD21 ASN 20 1HD2 ASN 20 -7.013 -2.130 -3.001 144 HD22 ASN 20 2HD2 ASN 20 -7.356 -2.041 -4.688 145 H LEU 21 H LEU 21 -4.803 -2.967 -3.071 146 HA LEU 21 HA LEU 21 -2.071 -3.461 -1.992 147 HB2 LEU 21 1HB LEU 21 -4.493 -5.264 -2.323 148 HB3 LEU 21 2HB LEU 21 -2.917 -5.888 -1.911 149 HG LEU 21 HG LEU 21 -4.589 -4.024 -0.200 150 HD11 LEU 21 1HD1 LEU 21 -3.600 -6.895 0.138 151 HD12 LEU 21 2HD1 LEU 21 -5.258 -6.418 -0.308 152 HD13 LEU 21 3HD1 LEU 21 -4.602 -5.988 1.274 153 HD21 LEU 21 3HD2 LEU 21 -2.792 -4.373 1.518 154 HD22 LEU 21 1HD2 LEU 21 -2.248 -3.389 0.167 155 HD23 LEU 21 2HD2 LEU 21 -1.766 -5.097 0.274 156 H THR 22 H THR 22 -3.013 -2.763 -4.793 157 HA THR 22 HA THR 22 -3.297 -4.789 -6.512 158 HB THR 22 HB THR 22 -1.592 -2.532 -7.530 159 HG1 THR 22 1HG THR 22 -2.737 -1.422 -6.131 160 HG21 THR 22 3HG2 THR 22 -3.236 -2.535 -9.331 161 HG22 THR 22 1HG2 THR 22 -4.245 -3.712 -8.467 162 HG23 THR 22 2HG2 THR 22 -2.646 -4.185 -9.070 163 H VAL 23 H VAL 23 -2.115 -6.646 -6.197 164 HA VAL 23 HA VAL 23 0.826 -6.659 -6.255 165 HB VAL 23 HB VAL 23 -1.118 -9.009 -6.368 166 HG11 VAL 23 1HG1 VAL 23 1.804 -8.907 -5.523 167 HG12 VAL 23 2HG1 VAL 23 0.783 -10.355 -5.563 168 HG13 VAL 23 3HG1 VAL 23 1.218 -9.549 -7.070 169 HG21 VAL 23 3HG2 VAL 23 -1.452 -7.770 -4.222 170 HG22 VAL 23 1HG2 VAL 23 -0.802 -9.399 -4.005 171 HG23 VAL 23 2HG2 VAL 23 0.275 -7.998 -3.863 172 H ARG 24 H ARG 24 1.969 -6.793 -8.180 173 HA ARG 24 HA ARG 24 0.646 -7.346 -10.715 174 HB2 ARG 24 1HB ARG 24 2.497 -5.958 -10.810 175 HB3 ARG 24 2HB ARG 24 3.503 -6.968 -9.757 176 HG2 ARG 24 1HG ARG 24 3.715 -8.620 -11.588 177 HG3 ARG 24 2HG ARG 24 2.692 -7.622 -12.622 178 HD2 ARG 24 1HD ARG 24 5.236 -6.566 -11.324 179 HD3 ARG 24 2HD ARG 24 5.280 -7.492 -12.817 180 HE ARG 24 HE ARG 24 3.693 -4.966 -12.512 181 HH11 ARG 24 1HH1 ARG 24 5.906 -6.900 -14.462 182 HH12 ARG 24 2HH1 ARG 24 6.167 -5.697 -15.674 183 HH21 ARG 24 1HH2 ARG 24 3.877 -3.411 -14.119 184 HH22 ARG 24 2HH2 ARG 24 4.853 -3.676 -15.532 185 H LEU 25 H LEU 25 -0.185 -9.445 -11.087 186 HA LEU 25 HA LEU 25 1.655 -11.695 -10.584 187 HB2 LEU 25 1HB LEU 25 -1.310 -11.695 -11.015 188 HB3 LEU 25 2HB LEU 25 -0.229 -13.071 -10.896 189 HG LEU 25 HG LEU 25 -1.268 -12.902 -9.051 190 HD11 LEU 25 1HD1 LEU 25 1.328 -11.520 -8.224 191 HD12 LEU 25 2HD1 LEU 25 1.112 -13.267 -8.465 192 HD13 LEU 25 3HD1 LEU 25 0.303 -12.438 -7.129 193 HD21 LEU 25 3HD2 LEU 25 -2.433 -11.121 -8.861 194 HD22 LEU 25 1HD2 LEU 25 -1.012 -10.078 -8.474 195 HD23 LEU 25 2HD2 LEU 25 -1.616 -11.307 -7.340 196 H GLY 26 H GLY 26 2.793 -10.603 -12.493 197 HA2 GLY 26 1HA GLY 26 3.432 -11.108 -14.660 198 HA3 GLY 26 2HA GLY 26 2.148 -12.327 -14.690 199 H ASP 27 H ASP 27 1.801 -11.768 -16.900 200 HA ASP 27 HA ASP 27 1.678 -8.985 -17.617 201 HB2 ASP 27 1HB ASP 27 1.665 -11.579 -19.211 202 HB3 ASP 27 2HB ASP 27 1.720 -9.977 -19.937 203 H THR 28 H THR 28 -0.811 -11.041 -16.677 204 HA THR 28 HA THR 28 -2.813 -9.352 -18.042 205 HB THR 28 HB THR 28 -2.013 -11.406 -19.446 206 HG1 THR 28 1HG THR 28 -3.721 -10.398 -20.167 207 HG21 THR 28 3HG2 THR 28 -2.168 -13.103 -17.622 208 HG22 THR 28 1HG2 THR 28 -3.103 -13.528 -19.068 209 HG23 THR 28 2HG2 THR 28 -3.936 -12.918 -17.636 210 H GLY 29 H GLY 29 -1.847 -10.455 -15.054 211 HA2 GLY 29 1HA GLY 29 -4.418 -11.717 -14.266 212 HA3 GLY 29 2HA GLY 29 -2.814 -11.847 -13.502 213 H SER 30 H SER 30 -2.446 -10.869 -11.923 214 HA SER 30 HA SER 30 -2.020 -9.509 -10.332 215 HB2 SER 30 1HB SER 30 -3.803 -7.197 -10.921 216 HB3 SER 30 2HB SER 30 -2.106 -7.180 -10.624 217 HG SER 30 HG SER 30 -1.667 -7.692 -12.741 218 H PHE 31 H PHE 31 -2.855 -8.485 -8.393 219 HA PHE 31 HA PHE 31 -5.595 -9.361 -7.663 220 HB2 PHE 31 1HB PHE 31 -4.072 -11.141 -7.033 221 HB3 PHE 31 2HB PHE 31 -3.090 -10.044 -6.083 222 HD1 PHE 31 1HD PHE 31 -6.384 -11.741 -6.277 223 HD2 PHE 31 2HD PHE 31 -3.889 -9.115 -3.938 224 HE1 PHE 31 1HE PHE 31 -7.992 -11.876 -4.396 225 HE2 PHE 31 2HE PHE 31 -5.534 -9.212 -2.084 226 HZ PHE 31 HZ PHE 31 -7.593 -10.591 -2.310 227 H ASP 32 H ASP 32 -6.441 -7.588 -7.220 228 HA ASP 32 HA ASP 32 -5.067 -5.568 -5.522 229 HB2 ASP 32 1HB ASP 32 -5.999 -3.899 -6.553 230 HB3 ASP 32 2HB ASP 32 -6.165 -4.986 -7.895 231 H GLY 33 H GLY 33 -6.318 -4.704 -3.745 232 HA2 GLY 33 1HA GLY 33 -8.707 -5.840 -2.736 233 HA3 GLY 33 2HA GLY 33 -7.329 -6.766 -2.126 234 H THR 34 H THR 34 -8.268 -5.797 0.009 235 HA THR 34 HA THR 34 -7.336 -3.037 0.561 236 HB THR 34 HB THR 34 -9.221 -3.863 2.489 237 HG1 THR 34 1HG THR 34 -10.211 -5.453 1.474 238 HG21 THR 34 3HG2 THR 34 -9.611 -2.127 0.040 239 HG22 THR 34 1HG2 THR 34 -9.170 -1.658 1.702 240 HG23 THR 34 2HG2 THR 34 -10.792 -2.290 1.370 241 H ALA 35 H ALA 35 -5.952 -2.833 2.394 242 HA ALA 35 HA ALA 35 -6.188 -4.988 4.376 243 HB1 ALA 35 1HB ALA 35 -3.983 -5.420 3.281 244 HB2 ALA 35 2HB ALA 35 -3.517 -3.728 3.597 245 HB3 ALA 35 3HB ALA 35 -3.797 -4.860 4.940 246 H ALA 36 H ALA 36 -5.748 -4.283 6.547 247 HA ALA 36 HA ALA 36 -5.916 -1.349 7.011 248 HB1 ALA 36 1HB ALA 36 -6.095 -2.007 9.373 249 HB2 ALA 36 2HB ALA 36 -7.334 -2.836 8.413 250 HB3 ALA 36 3HB ALA 36 -5.886 -3.715 8.942 251 H ILE 37 H ILE 37 -4.182 -0.265 7.892 252 HA ILE 37 HA ILE 37 -1.533 -1.450 7.977 253 HB ILE 37 HB ILE 37 -2.596 1.309 8.745 254 HG12 ILE 37 1HG1 ILE 37 -0.947 0.315 6.374 255 HG13 ILE 37 2HG1 ILE 37 -2.641 0.735 6.275 256 HG21 ILE 37 1HG2 ILE 37 -0.354 2.111 8.943 257 HG22 ILE 37 2HG2 ILE 37 -0.460 0.763 10.006 258 HG23 ILE 37 3HG2 ILE 37 0.344 0.537 8.450 259 HD11 ILE 37 3HD1 ILE 37 -2.153 3.084 6.659 260 HD12 ILE 37 1HD1 ILE 37 -0.414 2.738 6.864 261 HD13 ILE 37 2HD1 ILE 37 -1.182 2.471 5.321 262 H THR 38 H THR 38 -0.373 -1.485 9.873 263 HA THR 38 HA THR 38 -1.792 -1.840 12.453 264 HB THR 38 HB THR 38 -0.457 -3.974 12.771 265 HG1 THR 38 1HG THR 38 -0.031 -3.640 9.980 266 HG21 THR 38 3HG2 THR 38 -1.841 -5.385 11.259 267 HG22 THR 38 1HG2 THR 38 -2.398 -3.953 10.418 268 HG23 THR 38 2HG2 THR 38 -2.791 -4.176 12.145 269 H SER 39 H SER 39 1.498 -2.000 10.957 270 HA SER 39 HA SER 39 2.438 -0.035 12.975 271 HB2 SER 39 1HB SER 39 3.987 -2.284 11.660 272 HB3 SER 39 2HB SER 39 4.664 -1.040 12.715 273 HG SER 39 HG SER 39 4.321 -2.572 14.082 274 H LEU 40 H LEU 40 3.982 1.497 12.145 275 HA LEU 40 HA LEU 40 4.376 1.724 9.243 276 HB2 LEU 40 1HB LEU 40 2.129 2.787 10.293 277 HB3 LEU 40 2HB LEU 40 3.223 4.089 10.736 278 HG LEU 40 HG LEU 40 2.732 2.983 7.928 279 HD11 LEU 40 1HD1 LEU 40 0.811 4.191 8.881 280 HD12 LEU 40 2HD1 LEU 40 1.533 5.073 7.531 281 HD13 LEU 40 3HD1 LEU 40 1.842 5.601 9.195 282 HD21 LEU 40 3HD2 LEU 40 4.793 3.890 7.534 283 HD22 LEU 40 1HD2 LEU 40 4.727 4.979 8.951 284 HD23 LEU 40 2HD2 LEU 40 3.857 5.407 7.492 285 H LYS 41 H LYS 41 6.498 2.311 9.007 286 HA LYS 41 HA LYS 41 7.699 4.226 10.830 287 HB2 LYS 41 1HB LYS 41 8.485 2.066 11.785 288 HB3 LYS 41 2HB LYS 41 9.227 1.653 10.232 289 HG2 LYS 41 1HG LYS 41 10.646 3.697 10.353 290 HG3 LYS 41 2HG LYS 41 9.792 4.214 11.791 291 HD2 LYS 41 1HD LYS 41 11.763 3.465 12.617 292 HD3 LYS 41 2HD LYS 41 10.701 2.092 12.944 293 HE2 LYS 41 1HE LYS 41 11.690 0.777 11.246 294 HE3 LYS 41 2HE LYS 41 12.314 2.193 10.378 295 HZ1 LYS 41 3HZ LYS 41 13.330 1.351 13.024 296 HZ2 LYS 41 1HZ LYS 41 13.894 2.557 12.109 297 HZ3 LYS 41 2HZ LYS 41 14.070 1.008 11.565 298 H GLY 42 H GLY 42 7.559 5.692 9.193 299 HA2 GLY 42 1HA GLY 42 8.296 6.834 7.399 300 HA3 GLY 42 2HA GLY 42 9.773 5.857 7.477 301 H SER 43 H SER 43 10.207 4.971 5.448 302 HA SER 43 HA SER 43 8.151 4.410 3.452 303 HB2 SER 43 1HB SER 43 10.090 3.500 2.193 304 HB3 SER 43 2HB SER 43 10.376 5.151 2.770 305 HG SER 43 HG SER 43 11.251 2.732 3.968 306 H LEU 44 H LEU 44 7.599 3.027 5.897 307 HA LEU 44 HA LEU 44 7.469 0.329 4.815 308 HB2 LEU 44 1HB LEU 44 9.577 0.462 6.289 309 HB3 LEU 44 2HB LEU 44 8.481 0.749 7.636 310 HG LEU 44 HG LEU 44 7.267 -1.450 6.847 311 HD11 LEU 44 1HD1 LEU 44 9.991 -1.718 5.479 312 HD12 LEU 44 2HD1 LEU 44 8.407 -1.746 4.680 313 HD13 LEU 44 3HD1 LEU 44 8.873 -3.060 5.768 314 HD21 LEU 44 3HD2 LEU 44 10.065 -1.537 8.008 315 HD22 LEU 44 1HD2 LEU 44 8.804 -2.786 8.191 316 HD23 LEU 44 2HD2 LEU 44 8.553 -1.190 8.917 317 H ALA 45 H ALA 45 5.356 -0.218 5.080 318 HA ALA 45 HA ALA 45 4.085 0.398 7.683 319 HB1 ALA 45 1HB ALA 45 2.812 1.603 5.923 320 HB2 ALA 45 2HB ALA 45 2.582 0.067 5.057 321 HB3 ALA 45 3HB ALA 45 1.873 0.297 6.663 322 H TRP 46 H TRP 46 2.641 -1.377 8.321 323 HA TRP 46 HA TRP 46 3.172 -4.022 7.089 324 HB2 TRP 46 1HB TRP 46 3.376 -3.230 9.976 325 HB3 TRP 46 2HB TRP 46 2.707 -4.793 9.583 326 HD1 TRP 46 HD TRP 46 6.018 -2.874 9.053 327 HE1 TRP 46 1HE TRP 46 7.903 -4.617 8.647 328 HE3 TRP 46 3HE TRP 46 3.229 -7.169 9.011 329 HZ2 TRP 46 2HZ TRP 46 8.174 -7.422 8.501 330 HZ3 TRP 46 3HZ TRP 46 4.326 -9.359 8.732 331 HH2 TRP 46 HH TRP 46 6.824 -9.506 8.478 332 H LEU 47 H LEU 47 1.432 -5.389 7.080 333 HA LEU 47 HA LEU 47 -1.187 -4.044 7.302 334 HB2 LEU 47 1HB LEU 47 0.061 -5.612 4.998 335 HB3 LEU 47 2HB LEU 47 -1.545 -4.903 4.989 336 HG LEU 47 HG LEU 47 1.090 -3.354 5.088 337 HD11 LEU 47 1HD1 LEU 47 0.685 -4.415 2.944 338 HD12 LEU 47 2HD1 LEU 47 0.466 -2.663 2.830 339 HD13 LEU 47 3HD1 LEU 47 -0.954 -3.721 2.872 340 HD21 LEU 47 3HD2 LEU 47 -0.625 -2.090 6.246 341 HD22 LEU 47 1HD2 LEU 47 -1.789 -2.362 4.941 342 HD23 LEU 47 2HD2 LEU 47 -0.332 -1.362 4.679 343 H GLU 48 H GLU 48 -2.955 -5.479 7.284 344 HA GLU 48 HA GLU 48 -2.396 -8.380 7.698 345 HB2 GLU 48 1HB GLU 48 -3.833 -8.400 9.623 346 HB3 GLU 48 2HB GLU 48 -2.467 -7.298 9.834 347 HG2 GLU 48 1HG GLU 48 -3.942 -5.364 9.360 348 HG3 GLU 48 2HG GLU 48 -5.268 -6.480 9.043 349 H LEU 49 H LEU 49 -3.423 -7.200 5.322 350 HA LEU 49 HA LEU 49 -5.205 -7.152 3.855 351 HB2 LEU 49 1HB LEU 49 -5.097 -9.864 5.034 352 HB3 LEU 49 2HB LEU 49 -6.569 -9.541 4.196 353 HG LEU 49 HG LEU 49 -3.826 -9.211 2.981 354 HD11 LEU 49 1HD1 LEU 49 -4.198 -11.315 1.869 355 HD12 LEU 49 2HD1 LEU 49 -5.900 -11.378 2.413 356 HD13 LEU 49 3HD1 LEU 49 -4.616 -11.617 3.555 357 HD21 LEU 49 3HD2 LEU 49 -5.079 -9.094 0.827 358 HD22 LEU 49 1HD2 LEU 49 -5.670 -7.825 1.908 359 HD23 LEU 49 2HD2 LEU 49 -6.622 -9.282 1.691 360 H PHE 50 H PHE 50 -7.825 -8.007 3.856 361 HA PHE 50 HA PHE 50 -9.037 -6.984 6.352 362 HB2 PHE 50 1HB PHE 50 -9.259 -5.767 3.760 363 HB3 PHE 50 2HB PHE 50 -10.809 -6.520 4.099 364 HD1 PHE 50 2HD PHE 50 -12.021 -5.971 6.235 365 HD2 PHE 50 1HD PHE 50 -8.431 -3.949 5.048 366 HE1 PHE 50 2HE PHE 50 -12.522 -4.164 7.883 367 HE2 PHE 50 1HE PHE 50 -8.861 -2.214 6.787 368 HZ PHE 50 HZ PHE 50 -10.946 -2.265 8.138 369 H GLY 51 H GLY 51 -10.899 -7.962 7.015 370 HA2 GLY 51 1HA GLY 51 -12.579 -9.508 7.225 371 HA3 GLY 51 2HA GLY 51 -12.807 -9.285 5.493 372 H ALA 52 H ALA 52 -12.759 -11.097 4.400 373 HA ALA 52 HA ALA 52 -10.965 -13.342 5.190 374 HB1 ALA 52 1HB ALA 52 -13.379 -13.722 5.762 375 HB2 ALA 52 2HB ALA 52 -13.782 -13.464 4.046 376 HB3 ALA 52 3HB ALA 52 -12.782 -14.843 4.529 377 H GLU 53 H GLU 53 -11.233 -10.949 2.953 378 HA GLU 53 HA GLU 53 -11.007 -12.544 0.485 379 HB2 GLU 53 1HB GLU 53 -10.704 -9.589 1.121 380 HB3 GLU 53 2HB GLU 53 -10.208 -10.282 -0.437 381 HG2 GLU 53 1HG GLU 53 -12.486 -11.293 -0.682 382 HG3 GLU 53 2HG GLU 53 -12.973 -10.484 0.799 383 H GLN 54 H GLN 54 -9.053 -13.010 -0.571 384 HA GLN 54 HA GLN 54 -6.546 -12.076 0.450 385 HB2 GLN 54 1HB GLN 54 -5.639 -14.254 1.215 386 HB3 GLN 54 2HB GLN 54 -6.979 -13.707 2.206 387 HG2 GLN 54 1HG GLN 54 -8.498 -15.264 0.892 388 HG3 GLN 54 2HG GLN 54 -7.047 -15.914 0.122 389 HE21 GLN 54 1HE2 GLN 54 -5.734 -15.378 3.038 390 HE22 GLN 54 2HE2 GLN 54 -6.252 -16.788 3.933 391 HA PRO 55 HA PRO 55 -5.325 -13.230 -3.645 392 HB2 PRO 55 1HB PRO 55 -2.577 -13.755 -3.187 393 HB3 PRO 55 2HB PRO 55 -3.330 -12.182 -3.541 394 HG2 PRO 55 1HG PRO 55 -2.362 -13.279 -0.963 395 HG3 PRO 55 2HG PRO 55 -2.530 -11.581 -1.493 396 HD2 PRO 55 1HD PRO 55 -4.240 -12.944 0.235 397 HD3 PRO 55 2HD PRO 55 -4.646 -11.439 -0.638 398 HA PRO 56 HA PRO 56 -5.038 -17.671 -3.911 399 HB2 PRO 56 1HB PRO 56 -3.339 -18.169 -6.019 400 HB3 PRO 56 2HB PRO 56 -5.015 -17.550 -6.217 401 HG2 PRO 56 1HG PRO 56 -2.435 -16.032 -6.261 402 HG3 PRO 56 2HG PRO 56 -3.836 -15.839 -7.345 403 HD2 PRO 56 1HD PRO 56 -3.267 -14.243 -5.186 404 HD3 PRO 56 2HD PRO 56 -4.918 -14.475 -5.779 405 HA PRO 57 HA PRO 57 -1.541 -18.581 -1.379 406 HB2 PRO 57 1HB PRO 57 -1.192 -21.298 -1.613 407 HB3 PRO 57 2HB PRO 57 -2.585 -20.541 -0.772 408 HG2 PRO 57 1HG PRO 57 -2.471 -21.565 -3.624 409 HG3 PRO 57 2HG PRO 57 -3.723 -21.887 -2.379 410 HD2 PRO 57 1HD PRO 57 -4.063 -19.954 -4.257 411 HD3 PRO 57 2HD PRO 57 -4.619 -19.703 -2.578 412 H ASN 58 H ASN 58 0.672 -19.245 -1.304 413 HA ASN 58 HA ASN 58 2.798 -19.078 -2.018 414 HB2 ASN 58 1HB ASN 58 1.809 -21.014 -4.118 415 HB3 ASN 58 2HB ASN 58 3.500 -20.725 -3.721 416 HD21 ASN 58 1HD2 ASN 58 2.773 -23.199 -3.709 417 HD22 ASN 58 2HD2 ASN 58 2.898 -23.863 -2.086 418 H THR 59 H THR 59 1.094 -16.971 -3.079 419 HA THR 59 HA THR 59 2.399 -16.443 -5.717 420 HB THR 59 HB THR 59 -0.509 -16.023 -4.957 421 HG1 THR 59 1HG THR 59 -0.073 -18.156 -5.443 422 HG21 THR 59 3HG2 THR 59 -0.234 -14.349 -6.446 423 HG22 THR 59 1HG2 THR 59 -0.671 -15.665 -7.535 424 HG23 THR 59 2HG2 THR 59 1.036 -15.194 -7.381 425 H LEU 60 H LEU 60 1.548 -15.196 -2.570 426 HA LEU 60 HA LEU 60 2.709 -12.565 -3.199 427 HB2 LEU 60 1HB LEU 60 1.824 -13.995 -0.686 428 HB3 LEU 60 2HB LEU 60 2.856 -12.575 -0.616 429 HG LEU 60 HG LEU 60 0.207 -12.568 -2.088 430 HD11 LEU 60 1HD1 LEU 60 -0.205 -13.044 0.276 431 HD12 LEU 60 2HD1 LEU 60 -0.737 -11.403 -0.140 432 HD13 LEU 60 3HD1 LEU 60 0.762 -11.634 0.744 433 HD21 LEU 60 3HD2 LEU 60 1.998 -10.302 -1.089 434 HD22 LEU 60 1HD2 LEU 60 0.402 -10.085 -1.815 435 HD23 LEU 60 2HD2 LEU 60 1.710 -10.732 -2.792 436 H SER 61 H SER 61 4.905 -12.077 -2.916 437 HA SER 61 HA SER 61 6.518 -13.799 -1.262 438 HB2 SER 61 1HB SER 61 7.463 -12.851 -4.004 439 HB3 SER 61 2HB SER 61 8.438 -13.628 -2.775 440 HG SER 61 HG SER 61 6.518 -14.700 -4.488 441 H GLU 62 H GLU 62 8.554 -12.552 -0.750 442 HA GLU 62 HA GLU 62 7.796 -10.112 0.370 443 HB2 GLU 62 1HB GLU 62 10.681 -10.972 0.128 444 HB3 GLU 62 2HB GLU 62 9.899 -10.040 1.400 445 HG2 GLU 62 1HG GLU 62 8.536 -12.142 1.932 446 HG3 GLU 62 2HG GLU 62 9.632 -13.015 0.850 447 H GLY 63 H GLY 63 8.644 -10.439 -2.754 448 HA2 GLY 63 1HA GLY 63 9.961 -7.757 -3.002 449 HA3 GLY 63 2HA GLY 63 10.181 -9.102 -4.122 450 H ALA 64 H ALA 64 6.876 -9.154 -3.238 451 HA ALA 64 HA ALA 64 6.341 -8.799 -5.997 452 HB1 ALA 64 1HB ALA 64 4.027 -9.235 -5.428 453 HB2 ALA 64 2HB ALA 64 5.022 -10.261 -4.388 454 HB3 ALA 64 3HB ALA 64 4.288 -8.787 -3.736 455 H GLU 65 H GLU 65 5.753 -7.088 -7.205 456 HA GLU 65 HA GLU 65 6.253 -4.499 -6.033 457 HB2 GLU 65 1HB GLU 65 5.597 -5.363 -8.838 458 HB3 GLU 65 2HB GLU 65 6.121 -3.726 -8.331 459 HG2 GLU 65 1HG GLU 65 8.267 -4.652 -7.583 460 HG3 GLU 65 2HG GLU 65 7.703 -6.272 -7.829 461 H VAL 66 H VAL 66 4.482 -4.728 -4.735 462 HA VAL 66 HA VAL 66 1.741 -4.501 -5.684 463 HB VAL 66 HB VAL 66 1.067 -4.122 -3.387 464 HG11 VAL 66 1HG1 VAL 66 3.233 -6.252 -3.611 465 HG12 VAL 66 2HG1 VAL 66 1.893 -6.246 -2.475 466 HG13 VAL 66 3HG1 VAL 66 1.584 -6.387 -4.217 467 HG21 VAL 66 3HG2 VAL 66 4.037 -3.980 -2.725 468 HG22 VAL 66 1HG2 VAL 66 2.853 -2.663 -2.565 469 HG23 VAL 66 2HG2 VAL 66 2.699 -4.121 -1.569 470 H SER 67 H SER 67 0.295 -2.557 -5.698 471 HA SER 67 HA SER 67 1.647 0.035 -5.306 472 HB2 SER 67 1HB SER 67 -0.389 -0.656 -7.421 473 HB3 SER 67 2HB SER 67 0.513 0.812 -7.218 474 HG SER 67 HG SER 67 1.245 -1.576 -8.403 475 H VAL 68 H VAL 68 0.518 1.361 -4.094 476 HA VAL 68 HA VAL 68 -1.899 0.331 -2.772 477 HB VAL 68 HB VAL 68 -1.313 1.680 -0.913 478 HG11 VAL 68 1HG1 VAL 68 0.179 -0.371 -1.221 479 HG12 VAL 68 2HG1 VAL 68 1.418 0.724 -1.942 480 HG13 VAL 68 3HG1 VAL 68 0.886 0.925 -0.262 481 HG21 VAL 68 3HG2 VAL 68 -0.934 3.659 -1.534 482 HG22 VAL 68 1HG2 VAL 68 0.633 3.157 -0.878 483 HG23 VAL 68 2HG2 VAL 68 0.402 3.228 -2.649 484 H SER 69 H SER 69 -3.389 2.150 -1.910 485 HA SER 69 HA SER 69 -3.013 4.724 -2.935 486 HB2 SER 69 1HB SER 69 -5.093 5.074 -4.040 487 HB3 SER 69 2HB SER 69 -4.423 3.590 -4.759 488 HG SER 69 HG SER 69 -6.739 3.705 -4.057 489 H VAL 70 H VAL 70 -4.368 6.290 -1.553 490 HA VAL 70 HA VAL 70 -6.449 5.125 -0.052 491 HB VAL 70 HB VAL 70 -4.673 4.549 1.517 492 HG11 VAL 70 1HG1 VAL 70 -3.035 6.357 0.936 493 HG12 VAL 70 2HG1 VAL 70 -4.039 7.470 1.918 494 HG13 VAL 70 3HG1 VAL 70 -3.265 6.071 2.656 495 HG21 VAL 70 3HG2 VAL 70 -6.262 6.886 2.591 496 HG22 VAL 70 1HG2 VAL 70 -6.945 5.284 2.278 497 HG23 VAL 70 2HG2 VAL 70 -5.640 5.474 3.463 498 H TRP 71 H TRP 71 -7.958 6.644 0.544 499 HA TRP 71 HA TRP 71 -7.622 9.316 -0.646 500 HB2 TRP 71 1HB TRP 71 -10.042 7.841 0.469 501 HB3 TRP 71 2HB TRP 71 -10.042 9.459 -0.219 502 HD1 TRP 71 HD TRP 71 -9.313 5.816 -1.218 503 HE1 TRP 71 1HE TRP 71 -9.510 5.473 -3.690 504 HE3 TRP 71 3HE TRP 71 -10.229 10.648 -2.595 505 HZ2 TRP 71 2HZ TRP 71 -9.937 7.136 -6.052 506 HZ3 TRP 71 3HZ TRP 71 -10.738 11.231 -4.943 507 HH2 TRP 71 HH TRP 71 -10.397 9.516 -6.699 508 H THR 72 H THR 72 -6.880 10.917 0.656 509 HA THR 72 HA THR 72 -7.929 11.137 3.351 510 HB THR 72 HB THR 72 -5.700 10.051 3.571 511 HG1 THR 72 1HG THR 72 -6.086 11.168 5.310 512 HG21 THR 72 3HG2 THR 72 -4.596 11.173 1.583 513 HG22 THR 72 1HG2 THR 72 -3.657 11.159 3.057 514 HG23 THR 72 2HG2 THR 72 -4.481 12.652 2.547 515 H GLY 73 H GLY 73 -7.394 13.532 4.068 516 HA2 GLY 73 1HA GLY 73 -7.707 15.775 3.689 517 HA3 GLY 73 2HA GLY 73 -6.751 15.554 2.212 518 H GLY 74 H GLY 74 -7.767 15.848 0.291 519 HA2 GLY 74 1HA GLY 74 -10.625 15.223 -0.067 520 HA3 GLY 74 2HA GLY 74 -10.098 16.890 -0.329 521 H ALA 75 H ALA 75 -8.109 13.990 -1.083 522 HA ALA 75 HA ALA 75 -8.860 13.919 -3.855 523 HB1 ALA 75 1HB ALA 75 -6.614 14.409 -4.800 524 HB2 ALA 75 2HB ALA 75 -7.233 15.803 -3.926 525 HB3 ALA 75 3HB ALA 75 -5.997 14.782 -3.175 526 H LEU 76 H LEU 76 -6.855 12.297 -4.866 527 HA LEU 76 HA LEU 76 -6.475 10.130 -2.873 528 HB2 LEU 76 1HB LEU 76 -8.064 9.679 -4.658 529 HB3 LEU 76 2HB LEU 76 -6.836 9.974 -5.861 530 HG LEU 76 HG LEU 76 -7.494 7.559 -5.164 531 HD11 LEU 76 1HD1 LEU 76 -4.639 8.291 -5.467 532 HD12 LEU 76 2HD1 LEU 76 -5.863 7.981 -6.725 533 HD13 LEU 76 3HD1 LEU 76 -5.380 6.660 -5.656 534 HD21 LEU 76 3HD2 LEU 76 -6.560 6.497 -3.368 535 HD22 LEU 76 1HD2 LEU 76 -7.193 7.982 -2.712 536 HD23 LEU 76 2HD2 LEU 76 -5.448 7.838 -3.024 537 H CYS 77 H CYS 77 -4.552 9.707 -2.441 538 HA CYS 77 HA CYS 77 -2.203 10.530 -4.091 539 HB2 CYS 77 1HB CYS 77 -2.783 10.917 -1.260 540 HB3 CYS 77 2HB CYS 77 -1.467 9.774 -1.378 541 HG CYS 77 HG CYS 77 -0.518 12.137 -0.909 542 H ARG 78 H ARG 78 -1.073 8.661 -4.877 543 HA ARG 78 HA ARG 78 -1.656 6.089 -3.543 544 HB2 ARG 78 1HB ARG 78 -2.610 4.998 -5.264 545 HB3 ARG 78 2HB ARG 78 -3.119 6.568 -5.715 546 HG2 ARG 78 1HG ARG 78 -2.377 5.949 -7.672 547 HG3 ARG 78 2HG ARG 78 -0.807 6.549 -7.111 548 HD2 ARG 78 1HD ARG 78 -0.018 4.303 -6.747 549 HD3 ARG 78 2HD ARG 78 -1.653 3.641 -6.884 550 HE ARG 78 HE ARG 78 0.205 4.008 -8.965 551 HH11 ARG 78 1HH1 ARG 78 -3.213 3.671 -8.366 552 HH12 ARG 78 2HH1 ARG 78 -3.728 3.869 -10.007 553 HH21 ARG 78 1HH2 ARG 78 -0.336 4.023 -11.182 554 HH22 ARG 78 2HH2 ARG 78 -1.980 3.781 -11.679 555 H CYS 79 H CYS 79 -0.026 4.370 -4.231 556 HA CYS 79 HA CYS 79 2.465 5.681 -5.154 557 HB2 CYS 79 1HB CYS 79 2.329 6.290 -2.830 558 HB3 CYS 79 2HB CYS 79 1.945 4.666 -2.308 559 HG CYS 79 HG CYS 79 4.779 5.409 -3.786 560 H ASP 80 H ASP 80 4.153 4.338 -5.672 561 HA ASP 80 HA ASP 80 3.549 1.512 -6.353 562 HB2 ASP 80 1HB ASP 80 6.006 3.302 -6.672 563 HB3 ASP 80 2HB ASP 80 5.960 1.613 -7.154 564 H GLY 81 H GLY 81 4.527 -0.217 -5.165 565 HA2 GLY 81 1HA GLY 81 6.737 0.432 -3.362 566 HA3 GLY 81 2HA GLY 81 5.281 -0.249 -2.628 567 H ARG 82 H ARG 82 6.911 -1.872 -2.040 568 HA ARG 82 HA ARG 82 6.552 -4.163 -3.790 569 HB2 ARG 82 1HB ARG 82 9.286 -3.636 -2.619 570 HB3 ARG 82 2HB ARG 82 8.712 -5.181 -3.289 571 HG2 ARG 82 1HG ARG 82 8.153 -3.909 -5.453 572 HG3 ARG 82 2HG ARG 82 9.066 -2.554 -4.783 573 HD2 ARG 82 1HD ARG 82 10.891 -4.224 -4.365 574 HD3 ARG 82 2HD ARG 82 10.045 -5.354 -5.413 575 HE ARG 82 HE ARG 82 10.205 -2.938 -6.817 576 HH11 ARG 82 1HH1 ARG 82 12.460 -5.465 -5.700 577 HH12 ARG 82 2HH1 ARG 82 13.785 -4.919 -6.664 578 HH21 ARG 82 1HH2 ARG 82 11.805 -2.491 -8.361 579 HH22 ARG 82 2HH2 ARG 82 13.401 -3.163 -8.239 580 H VAL 83 H VAL 83 6.780 -6.193 -2.235 581 HA VAL 83 HA VAL 83 5.387 -5.708 0.163 582 HB VAL 83 HB VAL 83 6.687 -8.119 -1.057 583 HG11 VAL 83 1HG1 VAL 83 6.730 -8.535 1.399 584 HG12 VAL 83 2HG1 VAL 83 5.004 -8.139 1.480 585 HG13 VAL 83 3HG1 VAL 83 5.573 -9.556 0.544 586 HG21 VAL 83 3HG2 VAL 83 3.783 -7.344 -0.531 587 HG22 VAL 83 1HG2 VAL 83 4.625 -7.199 -2.079 588 HG23 VAL 83 2HG2 VAL 83 4.345 -8.800 -1.381 589 H GLU 84 H GLU 84 8.856 -5.951 -0.290 590 HA GLU 84 HA GLU 84 10.597 -5.536 1.080 591 HB2 GLU 84 1HB GLU 84 8.995 -3.745 1.947 592 HB3 GLU 84 2HB GLU 84 8.758 -4.734 3.355 593 HG2 GLU 84 1HG GLU 84 11.563 -3.992 2.453 594 HG3 GLU 84 2HG GLU 84 10.559 -2.847 3.316 595 H THR 85 H THR 85 8.088 -7.008 3.218 596 HA THR 85 HA THR 85 9.713 -9.426 3.647 597 HB THR 85 HB THR 85 8.913 -7.492 5.883 598 HG1 THR 85 1HG THR 85 10.774 -6.795 5.269 599 HG21 THR 85 3HG2 THR 85 10.018 -9.086 7.430 600 HG22 THR 85 1HG2 THR 85 10.176 -10.245 6.090 601 HG23 THR 85 2HG2 THR 85 8.566 -9.764 6.667 602 H LEU 86 H LEU 86 8.294 -11.131 3.790 603 HA LEU 86 HA LEU 86 5.393 -10.500 4.142 604 HB2 LEU 86 1HB LEU 86 6.189 -11.482 1.906 605 HB3 LEU 86 2HB LEU 86 6.474 -12.981 2.781 606 HG LEU 86 HG LEU 86 3.880 -12.286 3.584 607 HD11 LEU 86 1HD1 LEU 86 2.673 -11.489 1.649 608 HD12 LEU 86 2HD1 LEU 86 4.164 -11.476 0.666 609 HD13 LEU 86 3HD1 LEU 86 3.962 -10.344 1.993 610 HD21 LEU 86 3HD2 LEU 86 3.019 -13.910 1.946 611 HD22 LEU 86 1HD2 LEU 86 4.420 -14.504 2.836 612 HD23 LEU 86 2HD2 LEU 86 4.601 -13.942 1.143 613 H ARG 87 H ARG 87 4.333 -11.727 5.641 614 HA ARG 87 HA ARG 87 6.097 -13.448 7.362 615 HB2 ARG 87 1HB ARG 87 5.732 -11.441 8.520 616 HB3 ARG 87 2HB ARG 87 3.980 -11.518 8.296 617 HG2 ARG 87 1HG ARG 87 3.679 -13.148 9.888 618 HG3 ARG 87 2HG ARG 87 5.295 -13.841 9.704 619 HD2 ARG 87 1HD ARG 87 4.872 -11.046 10.795 620 HD3 ARG 87 2HD ARG 87 4.792 -12.466 11.850 621 HE ARG 87 HE ARG 87 7.193 -12.793 10.514 622 HH11 ARG 87 1HH1 ARG 87 5.840 -10.296 12.645 623 HH12 ARG 87 2HH1 ARG 87 7.396 -9.697 13.122 624 HH21 ARG 87 1HH2 ARG 87 9.171 -12.098 11.182 625 HH22 ARG 87 2HH2 ARG 87 9.351 -10.792 12.332 626 H ASP 88 H ASP 88 2.697 -12.909 6.423 627 HA ASP 88 HA ASP 88 2.275 -15.826 6.357 628 HB2 ASP 88 1HB ASP 88 0.415 -13.851 7.732 629 HB3 ASP 88 2HB ASP 88 0.060 -15.528 7.401 630 H ASP 89 H ASP 89 0.197 -16.153 5.101 631 HA ASP 89 HA ASP 89 0.184 -14.676 2.675 632 HB2 ASP 89 1HB ASP 89 -1.794 -16.601 3.913 633 HB3 ASP 89 2HB ASP 89 -2.158 -15.786 2.396 634 H ARG 90 H ARG 90 -1.304 -13.878 5.697 635 HA ARG 90 HA ARG 90 -2.716 -11.669 4.312 636 HB2 ARG 90 1HB ARG 90 -4.266 -11.446 6.112 637 HB3 ARG 90 2HB ARG 90 -4.338 -13.102 5.491 638 HG2 ARG 90 1HG ARG 90 -3.087 -13.900 7.436 639 HG3 ARG 90 2HG ARG 90 -2.787 -12.223 7.946 640 HD2 ARG 90 1HD ARG 90 -4.493 -12.767 9.367 641 HD3 ARG 90 2HD ARG 90 -5.329 -11.945 8.056 642 HE ARG 90 HE ARG 90 -5.072 -14.913 8.096 643 HH11 ARG 90 1HH1 ARG 90 -7.423 -12.203 7.883 644 HH12 ARG 90 2HH1 ARG 90 -8.766 -13.274 8.116 645 HH21 ARG 90 1HH2 ARG 90 -6.794 -16.187 8.447 646 HH22 ARG 90 2HH2 ARG 90 -8.423 -15.535 8.404 647 H GLN 91 H GLN 91 0.095 -12.160 6.246 648 HA GLN 91 HA GLN 91 -0.194 -9.401 7.279 649 HB2 GLN 91 1HB GLN 91 1.291 -11.639 8.663 650 HB3 GLN 91 2HB GLN 91 1.053 -9.995 9.205 651 HG2 GLN 91 1HG GLN 91 -1.490 -10.526 9.207 652 HG3 GLN 91 2HG GLN 91 -0.971 -12.233 9.104 653 HE21 GLN 91 1HE2 GLN 91 0.714 -12.947 10.825 654 HE22 GLN 91 2HE2 GLN 91 0.631 -12.121 12.376 655 H PHE 92 H PHE 92 1.359 -8.105 6.513 656 HA PHE 92 HA PHE 92 4.058 -9.001 5.984 657 HB2 PHE 92 1HB PHE 92 3.923 -8.598 3.490 658 HB3 PHE 92 2HB PHE 92 3.209 -10.063 4.104 659 HD1 PHE 92 1HD PHE 92 2.313 -6.700 2.751 660 HD2 PHE 92 2HD PHE 92 0.935 -10.662 3.755 661 HE1 PHE 92 1HE PHE 92 0.238 -6.296 1.481 662 HE2 PHE 92 2HE PHE 92 -1.183 -10.231 2.563 663 HZ PHE 92 HZ PHE 92 -1.546 -8.027 1.425 664 H ALA 93 H ALA 93 5.352 -7.305 4.856 665 HA ALA 93 HA ALA 93 4.648 -4.645 5.870 666 HB1 ALA 93 1HB ALA 93 7.161 -5.757 4.581 667 HB2 ALA 93 2HB ALA 93 6.979 -4.134 5.281 668 HB3 ALA 93 3HB ALA 93 6.891 -5.584 6.300 669 H ILE 94 H ILE 94 5.296 -2.791 4.285 670 HA ILE 94 HA ILE 94 5.617 -3.534 1.533 671 HB ILE 94 HB ILE 94 4.247 -1.506 0.824 672 HG12 ILE 94 1HG1 ILE 94 2.645 -1.992 3.370 673 HG13 ILE 94 2HG1 ILE 94 3.794 -0.668 3.175 674 HG21 ILE 94 1HG2 ILE 94 3.728 -3.909 0.384 675 HG22 ILE 94 2HG2 ILE 94 2.622 -3.894 1.753 676 HG23 ILE 94 3HG2 ILE 94 2.313 -2.835 0.346 677 HD11 ILE 94 3HD1 ILE 94 1.325 -1.065 1.444 678 HD12 ILE 94 1HD1 ILE 94 1.543 0.133 2.732 679 HD13 ILE 94 2HD1 ILE 94 2.538 0.215 1.264 680 H ARG 95 H ARG 95 6.953 -2.068 0.481 681 HA ARG 95 HA ARG 95 8.115 0.192 2.095 682 HB2 ARG 95 1HB ARG 95 9.609 -1.750 1.646 683 HB3 ARG 95 2HB ARG 95 9.475 -1.477 -0.077 684 HG2 ARG 95 1HG ARG 95 11.054 0.165 0.014 685 HG3 ARG 95 2HG ARG 95 10.163 1.038 1.256 686 HD2 ARG 95 1HD ARG 95 12.192 0.488 2.331 687 HD3 ARG 95 2HD ARG 95 11.018 -0.667 2.944 688 HE ARG 95 HE ARG 95 12.023 -2.394 1.630 689 HH11 ARG 95 1HH1 ARG 95 13.479 0.735 0.799 690 HH12 ARG 95 2HH1 ARG 95 14.690 0.023 -0.195 691 HH21 ARG 95 1HH2 ARG 95 13.725 -3.311 0.388 692 HH22 ARG 95 2HH2 ARG 95 14.980 -2.289 -0.218 693 H LEU 96 H LEU 96 7.496 2.014 1.409 694 HA LEU 96 HA LEU 96 6.106 2.457 -1.118 695 HB2 LEU 96 1HB LEU 96 7.015 4.441 1.031 696 HB3 LEU 96 2HB LEU 96 5.787 4.703 -0.199 697 HG LEU 96 HG LEU 96 5.606 2.775 2.164 698 HD11 LEU 96 1HD1 LEU 96 4.234 5.414 1.563 699 HD12 LEU 96 2HD1 LEU 96 5.468 5.100 2.800 700 HD13 LEU 96 3HD1 LEU 96 3.882 4.350 2.950 701 HD21 LEU 96 3HD2 LEU 96 4.376 1.803 0.322 702 HD22 LEU 96 1HD2 LEU 96 3.574 3.356 -0.032 703 HD23 LEU 96 2HD2 LEU 96 3.229 2.485 1.482 704 H VAL 97 H VAL 97 7.134 3.127 -3.004 705 HA VAL 97 HA VAL 97 9.704 4.597 -2.699 706 HB VAL 97 HB VAL 97 10.544 3.367 -4.655 707 HG11 VAL 97 1HG1 VAL 97 11.195 1.339 -3.466 708 HG12 VAL 97 2HG1 VAL 97 11.216 2.736 -2.376 709 HG13 VAL 97 3HG1 VAL 97 9.871 1.583 -2.300 710 HG21 VAL 97 3HG2 VAL 97 8.419 2.550 -5.642 711 HG22 VAL 97 1HG2 VAL 97 9.629 1.274 -5.420 712 HG23 VAL 97 2HG2 VAL 97 8.270 1.424 -4.293 713 H GLY 98 H GLY 98 10.269 5.946 -4.468 714 HA2 GLY 98 1HA GLY 98 10.022 7.054 -6.443 715 HA3 GLY 98 2HA GLY 98 8.542 6.153 -6.785 716 H ARG 99 H ARG 99 8.413 7.684 -3.768 717 HA ARG 99 HA ARG 99 7.479 9.418 -2.851 718 HB2 ARG 99 1HB ARG 99 8.868 10.612 -4.752 719 HB3 ARG 99 2HB ARG 99 7.302 10.995 -5.427 720 HG2 ARG 99 1HG ARG 99 8.003 11.570 -2.528 721 HG3 ARG 99 2HG ARG 99 8.469 12.668 -3.850 722 HD2 ARG 99 1HD ARG 99 5.755 12.216 -4.295 723 HD3 ARG 99 2HD ARG 99 5.896 12.216 -2.529 724 HE ARG 99 HE ARG 99 6.336 14.474 -2.536 725 HH11 ARG 99 1HH1 ARG 99 6.785 13.338 -5.924 726 HH12 ARG 99 2HH1 ARG 99 6.510 14.906 -6.571 727 HH21 ARG 99 1HH2 ARG 99 6.374 16.589 -3.500 728 HH22 ARG 99 2HH2 ARG 99 6.585 16.695 -5.248 729 H VAL 100 H VAL 100 5.406 9.940 -2.258 730 HA VAL 100 HA VAL 100 3.232 8.795 -3.844 731 HB VAL 100 HB VAL 100 3.015 10.227 -1.166 732 HG11 VAL 100 1HG1 VAL 100 0.974 8.817 -0.887 733 HG12 VAL 100 2HG1 VAL 100 0.878 9.838 -2.319 734 HG13 VAL 100 3HG1 VAL 100 1.248 8.115 -2.473 735 HG21 VAL 100 3HG2 VAL 100 3.284 7.246 -1.208 736 HG22 VAL 100 1HG2 VAL 100 4.658 8.304 -0.920 737 HG23 VAL 100 2HG2 VAL 100 3.257 8.380 0.146 738 H ARG 101 H ARG 101 1.907 10.266 -5.120 739 HA ARG 101 HA ARG 101 1.875 13.063 -4.193 740 HB2 ARG 101 1HB ARG 101 2.179 14.020 -6.345 741 HB3 ARG 101 2HB ARG 101 3.553 12.958 -6.053 742 HG2 ARG 101 1HG ARG 101 2.456 11.200 -7.466 743 HG3 ARG 101 2HG ARG 101 1.125 12.307 -7.789 744 HD2 ARG 101 1HD ARG 101 4.032 12.612 -8.629 745 HD3 ARG 101 2HD ARG 101 2.650 12.291 -9.677 746 HE ARG 101 HE ARG 101 3.656 14.796 -8.820 747 HH11 ARG 101 1HH1 ARG 101 0.602 13.252 -9.904 748 HH12 ARG 101 2HH1 ARG 101 -0.356 14.666 -9.585 749 HH21 ARG 101 1HH2 ARG 101 2.319 16.813 -9.015 750 HH22 ARG 101 2HH2 ARG 101 0.631 16.629 -9.454 751 H GLU 102 H GLU 102 -0.003 14.260 -5.161 752 HA GLU 102 HA GLU 102 -2.406 12.571 -5.258 753 HB2 GLU 102 1HB GLU 102 -1.952 15.571 -5.590 754 HB3 GLU 102 2HB GLU 102 -3.541 14.779 -5.631 755 HG2 GLU 102 1HG GLU 102 -3.468 14.238 -3.310 756 HG3 GLU 102 2HG GLU 102 -1.724 14.565 -3.209 757 H LEU 103 H LEU 103 -2.201 11.318 -7.084 758 HA LEU 103 HA LEU 103 -1.666 12.688 -9.653 759 HB2 LEU 103 1HB LEU 103 -2.148 10.429 -10.669 760 HB3 LEU 103 2HB LEU 103 -0.597 10.845 -9.995 761 HG LEU 103 HG LEU 103 -2.525 9.364 -8.215 762 HD11 LEU 103 1HD1 LEU 103 -2.723 8.070 -10.236 763 HD12 LEU 103 2HD1 LEU 103 -1.503 7.228 -9.258 764 HD13 LEU 103 3HD1 LEU 103 -0.991 8.242 -10.591 765 HD21 LEU 103 3HD2 LEU 103 -0.497 8.746 -7.125 766 HD22 LEU 103 1HD2 LEU 103 -0.119 10.360 -7.755 767 HD23 LEU 103 2HD2 LEU 103 0.462 8.937 -8.608 768 H GLN 104 H GLN 104 -4.294 12.079 -7.555 769 HA GLN 104 HA GLN 104 -6.311 12.169 -9.696 770 HB2 GLN 104 1HB GLN 104 -5.683 10.053 -7.603 771 HB3 GLN 104 2HB GLN 104 -7.322 10.196 -8.256 772 HG2 GLN 104 1HG GLN 104 -4.797 9.555 -9.851 773 HG3 GLN 104 2HG GLN 104 -5.996 8.387 -9.304 774 HE21 GLN 104 1HE2 GLN 104 -5.678 8.237 -11.938 775 HE22 GLN 104 2HE2 GLN 104 -6.863 9.265 -12.801 776 H ARG 105 H ARG 105 -8.200 13.053 -9.078 777 HA ARG 105 HA ARG 105 -8.306 14.014 -6.250 778 HB2 ARG 105 1HB ARG 105 -8.365 15.583 -8.619 779 HB3 ARG 105 2HB ARG 105 -9.987 15.646 -7.924 780 HG2 ARG 105 1HG ARG 105 -8.922 16.280 -5.707 781 HG3 ARG 105 2HG ARG 105 -7.357 16.332 -6.552 782 HD2 ARG 105 1HD ARG 105 -8.467 17.981 -8.181 783 HD3 ARG 105 2HD ARG 105 -9.817 18.057 -7.032 784 HE ARG 105 HE ARG 105 -7.240 18.550 -5.772 785 HH11 ARG 105 1HH1 ARG 105 -9.763 20.112 -7.772 786 HH12 ARG 105 2HH1 ARG 105 -9.292 21.727 -7.308 787 HH21 ARG 105 1HH2 ARG 105 -6.495 20.760 -5.427 788 HH22 ARG 105 2HH2 ARG 105 -7.222 22.035 -6.334 789 H ARG 106 H ARG 106 -10.111 12.358 -8.667 790 HA ARG 106 HA ARG 106 -11.948 11.196 -6.803 791 HB2 ARG 106 1HB ARG 106 -12.793 13.645 -8.247 792 HB3 ARG 106 2HB ARG 106 -13.881 12.284 -8.498 793 HG2 ARG 106 1HG ARG 106 -14.428 12.098 -6.205 794 HG3 ARG 106 2HG ARG 106 -12.996 12.941 -5.693 795 HD2 ARG 106 1HD ARG 106 -14.251 14.667 -5.373 796 HD3 ARG 106 2HD ARG 106 -14.184 14.963 -7.103 797 HE ARG 106 HE ARG 106 -16.366 13.381 -6.971 798 HH11 ARG 106 1HH1 ARG 106 -15.461 16.132 -4.888 799 HH12 ARG 106 2HH1 ARG 106 -17.064 16.690 -4.646 800 HH21 ARG 106 1HH2 ARG 106 -18.513 13.890 -6.369 801 HH22 ARG 106 2HH2 ARG 106 -18.842 15.184 -5.262 802 H GLU 107 H GLU 107 -13.534 9.817 -8.200 803 HA GLU 107 HA GLU 107 -13.793 8.087 -9.541 804 HB2 GLU 107 1HB GLU 107 -14.550 10.445 -10.538 805 HB3 GLU 107 2HB GLU 107 -13.410 9.997 -11.802 806 HG2 GLU 107 1HG GLU 107 -14.756 7.753 -11.946 807 HG3 GLU 107 2HG GLU 107 -15.935 8.546 -10.888 808 H TYR 108 H TYR 108 -10.682 8.938 -9.705 809 HA TYR 108 HA TYR 108 -8.745 8.100 -10.529 810 HB2 TYR 108 1HB TYR 108 -10.327 5.896 -11.729 811 HB3 TYR 108 2HB TYR 108 -8.583 5.940 -11.552 812 HD1 TYR 108 1HD TYR 108 -11.787 5.384 -9.754 813 HD2 TYR 108 2HD TYR 108 -7.474 5.221 -9.589 814 HE1 TYR 108 1HE TYR 108 -11.934 3.966 -7.759 815 HE2 TYR 108 2HE TYR 108 -7.611 3.847 -7.541 816 HH TYR 108 HH TYR 108 -10.133 2.248 -6.446 817 H PHE 109 H PHE 109 -9.909 10.138 -11.853 818 HA PHE 109 HA PHE 109 -10.216 9.717 -14.654 819 HB2 PHE 109 1HB PHE 109 -10.195 11.984 -14.988 820 HB3 PHE 109 2HB PHE 109 -11.165 11.637 -13.605 821 HD1 PHE 109 2HD PHE 109 -10.476 12.428 -11.365 822 HD2 PHE 109 1HD PHE 109 -8.286 13.481 -14.904 823 HE1 PHE 109 2HE PHE 109 -9.489 14.352 -10.171 824 HE2 PHE 109 1HE PHE 109 -7.249 15.380 -13.698 825 HZ PHE 109 HZ PHE 109 -7.832 15.822 -11.323 Start of MODEL 11 1 H1 GLY 1 H GLY 1 15.594 10.664 11.830 2 HA2 GLY 1 1HA GLY 1 15.345 9.240 9.842 3 HA3 GLY 1 2HA GLY 1 14.710 10.871 9.604 4 H MET 2 H MET 2 18.311 10.389 9.508 5 HA MET 2 HA MET 2 18.406 11.568 6.943 6 HB2 MET 2 1HB MET 2 20.251 11.604 8.606 7 HB3 MET 2 2HB MET 2 20.479 9.866 8.402 8 HG2 MET 2 1HG MET 2 20.886 10.293 5.951 9 HG3 MET 2 2HG MET 2 20.836 12.023 6.274 10 HE1 MET 2 3HE MET 2 24.086 12.774 8.134 11 HE2 MET 2 1HE MET 2 22.724 13.395 7.201 12 HE3 MET 2 2HE MET 2 22.438 12.656 8.797 13 H SER 3 H SER 3 19.533 8.195 7.646 14 HA SER 3 HA SER 3 18.805 7.244 5.038 15 HB2 SER 3 1HB SER 3 19.359 5.026 6.335 16 HB3 SER 3 2HB SER 3 20.636 6.179 5.913 17 HG SER 3 HG SER 3 20.954 5.645 8.007 18 H ALA 4 H ALA 4 16.661 7.590 4.725 19 HA ALA 4 HA ALA 4 14.841 5.833 6.301 20 HB1 ALA 4 1HB ALA 4 13.794 8.452 5.295 21 HB2 ALA 4 2HB ALA 4 13.247 7.484 6.654 22 HB3 ALA 4 3HB ALA 4 14.716 8.442 6.829 23 H ASP 5 H ASP 5 15.834 7.239 3.247 24 HA ASP 5 HA ASP 5 15.317 6.826 1.119 25 HB2 ASP 5 1HB ASP 5 14.955 4.059 2.317 26 HB3 ASP 5 2HB ASP 5 15.036 4.392 0.585 27 H GLY 6 H GLY 6 13.457 8.275 1.691 28 HA2 GLY 6 1HA GLY 6 11.508 8.487 0.157 29 HA3 GLY 6 2HA GLY 6 10.858 7.071 0.970 30 H SER 7 H SER 7 9.470 9.571 0.951 31 HA SER 7 HA SER 7 9.140 10.116 3.755 32 HB2 SER 7 1HB SER 7 9.575 12.638 3.379 33 HB3 SER 7 2HB SER 7 10.980 11.585 3.561 34 HG SER 7 HG SER 7 11.498 11.825 1.533 35 H GLU 8 H GLU 8 7.583 12.460 3.507 36 HA GLU 8 HA GLU 8 5.471 13.134 3.173 37 HB2 GLU 8 1HB GLU 8 6.242 12.217 0.420 38 HB3 GLU 8 2HB GLU 8 4.534 12.383 0.750 39 HG2 GLU 8 1HG GLU 8 5.297 14.399 -0.196 40 HG3 GLU 8 2HG GLU 8 4.828 14.678 1.479 41 H TYR 9 H TYR 9 6.037 9.788 3.201 42 HA TYR 9 HA TYR 9 3.540 8.769 2.458 43 HB2 TYR 9 1HB TYR 9 5.501 7.577 4.474 44 HB3 TYR 9 2HB TYR 9 4.335 6.686 3.516 45 HD1 TYR 9 2HD TYR 9 4.655 7.716 0.798 46 HD2 TYR 9 1HD TYR 9 7.615 6.874 3.813 47 HE1 TYR 9 2HE TYR 9 6.362 7.397 -0.976 48 HE2 TYR 9 1HE TYR 9 9.263 6.406 2.063 49 HH TYR 9 HH TYR 9 9.132 5.668 -0.466 50 H GLY 10 H GLY 10 4.778 9.526 5.720 51 HA2 GLY 10 1HA GLY 10 2.405 8.675 7.090 52 HA3 GLY 10 2HA GLY 10 3.824 9.539 7.705 53 H ARG 11 H ARG 11 2.601 11.324 5.045 54 HA ARG 11 HA ARG 11 0.964 13.046 6.787 55 HB2 ARG 11 1HB ARG 11 1.652 13.368 3.837 56 HB3 ARG 11 2HB ARG 11 0.979 14.565 4.923 57 HG2 ARG 11 1HG ARG 11 3.318 13.867 6.252 58 HG3 ARG 11 2HG ARG 11 3.747 13.680 4.557 59 HD2 ARG 11 1HD ARG 11 4.375 15.803 4.935 60 HD3 ARG 11 2HD ARG 11 2.756 16.091 4.274 61 HE ARG 11 HE ARG 11 2.750 15.891 7.155 62 HH11 ARG 11 1HH1 ARG 11 3.763 18.042 4.542 63 HH12 ARG 11 2HH1 ARG 11 3.455 19.513 5.421 64 HH21 ARG 11 1HH2 ARG 11 2.754 17.869 8.509 65 HH22 ARG 11 2HH2 ARG 11 3.064 19.369 7.749 66 H TYR 12 H TYR 12 0.683 10.377 4.624 67 HA TYR 12 HA TYR 12 -2.172 10.871 4.104 68 HB2 TYR 12 1HB TYR 12 -0.171 9.040 2.690 69 HB3 TYR 12 2HB TYR 12 -1.751 9.471 2.148 70 HD1 TYR 12 1HD TYR 12 -1.217 12.628 2.903 71 HD2 TYR 12 2HD TYR 12 0.879 9.577 0.756 72 HE1 TYR 12 1HE TYR 12 -0.011 14.365 1.647 73 HE2 TYR 12 2HE TYR 12 1.946 11.236 -0.669 74 HH TYR 12 HH TYR 12 1.278 14.732 -0.368 75 H PHE 13 H PHE 13 0.193 8.390 5.208 76 HA PHE 13 HA PHE 13 -1.984 6.400 5.476 77 HB2 PHE 13 1HB PHE 13 1.045 6.036 5.578 78 HB3 PHE 13 2HB PHE 13 -0.161 4.770 5.446 79 HD1 PHE 13 2HD PHE 13 -1.882 5.412 3.284 80 HD2 PHE 13 1HD PHE 13 2.289 6.236 3.674 81 HE1 PHE 13 2HE PHE 13 -1.647 5.724 0.776 82 HE2 PHE 13 1HE PHE 13 2.510 6.418 1.170 83 HZ PHE 13 HZ PHE 13 0.401 6.188 -0.233 84 H GLU 14 H GLU 14 -2.701 5.969 7.477 85 HA GLU 14 HA GLU 14 -0.992 6.763 9.772 86 HB2 GLU 14 1HB GLU 14 -3.151 8.003 9.442 87 HB3 GLU 14 2HB GLU 14 -4.025 6.516 9.813 88 HG2 GLU 14 1HG GLU 14 -3.512 6.622 12.026 89 HG3 GLU 14 2HG GLU 14 -1.907 7.282 11.772 90 H GLN 15 H GLN 15 -1.247 5.376 11.640 91 HA GLN 15 HA GLN 15 -0.212 2.812 11.116 92 HB2 GLN 15 1HB GLN 15 0.130 4.443 13.038 93 HB3 GLN 15 2HB GLN 15 -1.454 3.983 13.671 94 HG2 GLN 15 1HG GLN 15 -0.645 1.704 14.060 95 HG3 GLN 15 2HG GLN 15 0.875 2.109 13.259 96 HE21 GLN 15 1HE2 GLN 15 -0.383 1.648 16.343 97 HE22 GLN 15 2HE2 GLN 15 0.709 2.730 17.200 98 H LEU 16 H LEU 16 -3.412 3.679 11.211 99 HA LEU 16 HA LEU 16 -4.375 0.886 11.666 100 HB2 LEU 16 1HB LEU 16 -5.899 3.285 12.663 101 HB3 LEU 16 2HB LEU 16 -6.137 1.579 13.066 102 HG LEU 16 HG LEU 16 -3.827 3.341 13.910 103 HD11 LEU 16 1HD1 LEU 16 -6.005 3.989 14.910 104 HD12 LEU 16 2HD1 LEU 16 -4.792 3.479 16.096 105 HD13 LEU 16 3HD1 LEU 16 -6.109 2.382 15.656 106 HD21 LEU 16 3HD2 LEU 16 -2.782 1.735 14.945 107 HD22 LEU 16 1HD2 LEU 16 -3.636 0.607 13.877 108 HD23 LEU 16 2HD2 LEU 16 -4.215 0.922 15.546 109 H GLN 17 H GLN 17 -3.948 2.949 9.343 110 HA GLN 17 HA GLN 17 -6.666 3.228 8.208 111 HB2 GLN 17 1HB GLN 17 -4.592 4.979 8.450 112 HB3 GLN 17 2HB GLN 17 -4.162 4.271 6.850 113 HG2 GLN 17 1HG GLN 17 -6.589 4.889 6.184 114 HG3 GLN 17 2HG GLN 17 -6.795 5.507 7.837 115 HE21 GLN 17 1HE2 GLN 17 -4.468 5.899 5.136 116 HE22 GLN 17 2HE2 GLN 17 -4.315 7.639 5.316 117 H LYS 18 H LYS 18 -6.888 2.650 5.850 118 HA LYS 18 HA LYS 18 -5.217 0.271 5.235 119 HB2 LYS 18 1HB LYS 18 -7.116 -0.856 4.779 120 HB3 LYS 18 2HB LYS 18 -7.411 -0.005 6.246 121 HG2 LYS 18 1HG LYS 18 -8.343 1.291 3.773 122 HG3 LYS 18 2HG LYS 18 -8.948 -0.323 3.976 123 HD2 LYS 18 1HD LYS 18 -9.738 0.373 6.344 124 HD3 LYS 18 2HD LYS 18 -9.243 1.973 5.932 125 HE2 LYS 18 1HE LYS 18 -11.414 0.426 4.436 126 HE3 LYS 18 2HE LYS 18 -11.686 1.709 5.628 127 HZ1 LYS 18 3HZ LYS 18 -11.788 2.769 3.588 128 HZ2 LYS 18 1HZ LYS 18 -10.477 1.991 2.969 129 HZ3 LYS 18 2HZ LYS 18 -10.314 3.142 4.151 130 H VAL 19 H VAL 19 -4.623 -0.269 3.162 131 HA VAL 19 HA VAL 19 -4.434 1.990 1.140 132 HB VAL 19 HB VAL 19 -2.178 1.398 0.832 133 HG11 VAL 19 1HG1 VAL 19 -2.998 3.109 2.532 134 HG12 VAL 19 2HG1 VAL 19 -2.647 1.998 3.827 135 HG13 VAL 19 3HG1 VAL 19 -1.306 2.581 2.810 136 HG21 VAL 19 3HG2 VAL 19 -0.663 0.187 2.125 137 HG22 VAL 19 1HG2 VAL 19 -1.826 -0.141 3.389 138 HG23 VAL 19 2HG2 VAL 19 -1.936 -0.949 1.795 139 H ASN 20 H ASN 20 -4.755 1.166 -0.908 140 HA ASN 20 HA ASN 20 -5.732 -1.459 -1.374 141 HB2 ASN 20 1HB ASN 20 -5.955 0.744 -2.766 142 HB3 ASN 20 2HB ASN 20 -4.340 0.411 -3.347 143 HD21 ASN 20 1HD2 ASN 20 -6.964 -2.092 -2.784 144 HD22 ASN 20 2HD2 ASN 20 -7.130 -2.437 -4.460 145 H LEU 21 H LEU 21 -4.612 -3.248 -2.573 146 HA LEU 21 HA LEU 21 -1.655 -2.943 -2.725 147 HB2 LEU 21 1HB LEU 21 -2.851 -5.622 -2.102 148 HB3 LEU 21 2HB LEU 21 -1.223 -5.028 -1.868 149 HG LEU 21 HG LEU 21 -3.724 -4.544 -0.265 150 HD11 LEU 21 1HD1 LEU 21 -2.834 -6.032 1.258 151 HD12 LEU 21 2HD1 LEU 21 -1.190 -5.701 0.846 152 HD13 LEU 21 3HD1 LEU 21 -2.172 -6.705 -0.246 153 HD21 LEU 21 3HD2 LEU 21 -0.956 -3.185 -0.054 154 HD22 LEU 21 1HD2 LEU 21 -1.846 -3.567 1.446 155 HD23 LEU 21 2HD2 LEU 21 -2.555 -2.521 0.288 156 H THR 22 H THR 22 -1.990 -2.460 -5.040 157 HA THR 22 HA THR 22 -3.173 -4.543 -6.668 158 HB THR 22 HB THR 22 -1.233 -2.353 -7.381 159 HG1 THR 22 1HG THR 22 -2.851 -0.992 -7.246 160 HG21 THR 22 3HG2 THR 22 -1.963 -2.512 -9.637 161 HG22 THR 22 1HG2 THR 22 -3.389 -3.457 -9.187 162 HG23 THR 22 2HG2 THR 22 -1.791 -4.214 -9.111 163 H VAL 23 H VAL 23 -2.122 -6.558 -6.179 164 HA VAL 23 HA VAL 23 0.865 -6.566 -6.087 165 HB VAL 23 HB VAL 23 -1.012 -8.917 -5.570 166 HG11 VAL 23 1HG1 VAL 23 1.397 -9.408 -6.264 167 HG12 VAL 23 2HG1 VAL 23 1.902 -8.548 -4.801 168 HG13 VAL 23 3HG1 VAL 23 0.933 -10.011 -4.674 169 HG21 VAL 23 3HG2 VAL 23 0.284 -6.984 -3.610 170 HG22 VAL 23 1HG2 VAL 23 -1.431 -7.481 -3.694 171 HG23 VAL 23 2HG2 VAL 23 -0.171 -8.613 -3.137 172 H ARG 24 H ARG 24 1.643 -6.364 -8.164 173 HA ARG 24 HA ARG 24 0.348 -7.296 -10.467 174 HB2 ARG 24 1HB ARG 24 2.084 -5.779 -10.797 175 HB3 ARG 24 2HB ARG 24 3.244 -6.664 -9.773 176 HG2 ARG 24 1HG ARG 24 3.438 -8.382 -11.484 177 HG3 ARG 24 2HG ARG 24 2.236 -7.536 -12.500 178 HD2 ARG 24 1HD ARG 24 3.776 -5.548 -12.505 179 HD3 ARG 24 2HD ARG 24 4.923 -6.484 -11.522 180 HE ARG 24 HE ARG 24 4.273 -7.889 -13.911 181 HH11 ARG 24 1HH1 ARG 24 6.132 -5.042 -12.763 182 HH12 ARG 24 2HH1 ARG 24 7.300 -5.133 -14.047 183 HH21 ARG 24 1HH2 ARG 24 5.660 -7.801 -15.743 184 HH22 ARG 24 2HH2 ARG 24 6.883 -6.591 -15.860 185 H LEU 25 H LEU 25 -0.289 -9.509 -11.051 186 HA LEU 25 HA LEU 25 1.666 -11.538 -10.366 187 HB2 LEU 25 1HB LEU 25 -1.361 -11.383 -10.867 188 HB3 LEU 25 2HB LEU 25 -0.498 -12.866 -10.911 189 HG LEU 25 HG LEU 25 -0.890 -13.072 -8.982 190 HD11 LEU 25 1HD1 LEU 25 0.626 -10.618 -8.034 191 HD12 LEU 25 2HD1 LEU 25 1.443 -12.150 -8.327 192 HD13 LEU 25 3HD1 LEU 25 0.302 -11.967 -6.985 193 HD21 LEU 25 3HD2 LEU 25 -1.749 -10.638 -7.765 194 HD22 LEU 25 1HD2 LEU 25 -2.206 -12.300 -7.487 195 HD23 LEU 25 2HD2 LEU 25 -2.749 -11.547 -8.965 196 H GLY 26 H GLY 26 1.043 -9.560 -12.856 197 HA2 GLY 26 1HA GLY 26 1.875 -9.758 -15.078 198 HA3 GLY 26 2HA GLY 26 2.063 -11.502 -14.824 199 H ASP 27 H ASP 27 0.952 -10.650 -17.168 200 HA ASP 27 HA ASP 27 -0.842 -10.394 -18.478 201 HB2 ASP 27 1HB ASP 27 -0.432 -12.701 -18.356 202 HB3 ASP 27 2HB ASP 27 -1.603 -12.935 -17.031 203 H THR 28 H THR 28 -1.135 -8.666 -16.312 204 HA THR 28 HA THR 28 -2.697 -7.289 -15.341 205 HB THR 28 HB THR 28 -4.678 -6.735 -16.538 206 HG1 THR 28 1HG THR 28 -4.419 -9.268 -17.695 207 HG21 THR 28 3HG2 THR 28 -3.788 -6.385 -18.810 208 HG22 THR 28 1HG2 THR 28 -2.497 -7.572 -18.523 209 HG23 THR 28 2HG2 THR 28 -2.562 -6.034 -17.589 210 H GLY 29 H GLY 29 -2.452 -10.225 -14.535 211 HA2 GLY 29 1HA GLY 29 -4.918 -11.250 -13.611 212 HA3 GLY 29 2HA GLY 29 -3.215 -11.783 -13.344 213 H SER 30 H SER 30 -3.020 -8.843 -12.404 214 HA SER 30 HA SER 30 -2.073 -9.692 -9.962 215 HB2 SER 30 1HB SER 30 -3.127 -6.806 -10.694 216 HB3 SER 30 2HB SER 30 -1.745 -7.104 -9.719 217 HG SER 30 HG SER 30 -2.059 -6.904 -12.428 218 H PHE 31 H PHE 31 -2.682 -9.076 -7.867 219 HA PHE 31 HA PHE 31 -5.569 -9.571 -7.409 220 HB2 PHE 31 1HB PHE 31 -4.081 -11.147 -6.556 221 HB3 PHE 31 2HB PHE 31 -3.196 -10.011 -5.538 222 HD1 PHE 31 2HD PHE 31 -6.480 -11.743 -6.088 223 HD2 PHE 31 1HD PHE 31 -4.136 -9.288 -3.438 224 HE1 PHE 31 2HE PHE 31 -8.080 -12.213 -4.258 225 HE2 PHE 31 1HE PHE 31 -5.740 -9.777 -1.584 226 HZ PHE 31 HZ PHE 31 -7.724 -11.252 -2.005 227 H ASP 32 H ASP 32 -6.596 -7.734 -7.075 228 HA ASP 32 HA ASP 32 -5.132 -5.477 -5.747 229 HB2 ASP 32 1HB ASP 32 -6.099 -4.005 -6.973 230 HB3 ASP 32 2HB ASP 32 -6.839 -5.253 -7.915 231 H GLY 33 H GLY 33 -5.200 -5.819 -3.797 232 HA2 GLY 33 1HA GLY 33 -7.632 -6.989 -2.454 233 HA3 GLY 33 2HA GLY 33 -5.992 -7.253 -1.922 234 H THR 34 H THR 34 -7.758 -6.288 -0.116 235 HA THR 34 HA THR 34 -7.230 -3.395 0.242 236 HB THR 34 HB THR 34 -9.487 -4.340 1.805 237 HG1 THR 34 1HG THR 34 -9.708 -5.724 -0.361 238 HG21 THR 34 3HG2 THR 34 -10.632 -2.484 0.587 239 HG22 THR 34 1HG2 THR 34 -9.303 -2.451 -0.578 240 HG23 THR 34 2HG2 THR 34 -9.045 -2.005 1.137 241 H ALA 35 H ALA 35 -6.141 -3.001 2.300 242 HA ALA 35 HA ALA 35 -6.204 -5.178 4.137 243 HB1 ALA 35 1HB ALA 35 -4.262 -6.008 2.952 244 HB2 ALA 35 2HB ALA 35 -3.613 -4.403 2.762 245 HB3 ALA 35 3HB ALA 35 -3.612 -5.171 4.385 246 H ALA 36 H ALA 36 -5.399 -4.267 6.370 247 HA ALA 36 HA ALA 36 -5.527 -1.324 6.456 248 HB1 ALA 36 1HB ALA 36 -6.041 -3.514 8.501 249 HB2 ALA 36 2HB ALA 36 -6.130 -1.763 8.825 250 HB3 ALA 36 3HB ALA 36 -7.306 -2.488 7.747 251 H ILE 37 H ILE 37 -3.822 -0.330 7.615 252 HA ILE 37 HA ILE 37 -1.359 -1.725 7.999 253 HB ILE 37 HB ILE 37 -2.287 1.129 8.661 254 HG12 ILE 37 1HG1 ILE 37 -0.414 0.201 6.462 255 HG13 ILE 37 2HG1 ILE 37 -2.119 0.362 6.160 256 HG21 ILE 37 1HG2 ILE 37 -0.360 0.699 10.079 257 HG22 ILE 37 2HG2 ILE 37 0.518 -0.058 8.756 258 HG23 ILE 37 3HG2 ILE 37 0.201 1.685 8.752 259 HD11 ILE 37 3HD1 ILE 37 -0.892 2.285 5.345 260 HD12 ILE 37 1HD1 ILE 37 -2.053 2.759 6.597 261 HD13 ILE 37 2HD1 ILE 37 -0.316 2.684 6.961 262 H THR 38 H THR 38 -0.318 -1.751 10.059 263 HA THR 38 HA THR 38 -1.959 -1.755 12.538 264 HB THR 38 HB THR 38 -0.632 -3.789 13.252 265 HG1 THR 38 1HG THR 38 0.300 -5.046 11.658 266 HG21 THR 38 3HG2 THR 38 -2.439 -4.095 10.818 267 HG22 THR 38 1HG2 THR 38 -2.929 -4.047 12.528 268 HG23 THR 38 2HG2 THR 38 -1.965 -5.400 11.911 269 H SER 39 H SER 39 1.196 -1.380 11.000 270 HA SER 39 HA SER 39 2.085 0.407 13.173 271 HB2 SER 39 1HB SER 39 3.653 -1.992 12.157 272 HB3 SER 39 2HB SER 39 4.182 -0.814 13.378 273 HG SER 39 HG SER 39 3.114 -1.853 14.830 274 H LEU 40 H LEU 40 3.538 2.038 12.224 275 HA LEU 40 HA LEU 40 4.440 1.688 9.449 276 HB2 LEU 40 1HB LEU 40 2.350 2.835 9.079 277 HB3 LEU 40 2HB LEU 40 2.679 3.952 10.393 278 HG LEU 40 HG LEU 40 4.876 4.441 8.731 279 HD11 LEU 40 1HD1 LEU 40 4.169 3.070 6.945 280 HD12 LEU 40 2HD1 LEU 40 4.010 4.756 6.467 281 HD13 LEU 40 3HD1 LEU 40 2.548 3.845 6.898 282 HD21 LEU 40 3HD2 LEU 40 3.716 6.486 8.081 283 HD22 LEU 40 1HD2 LEU 40 3.556 6.119 9.802 284 HD23 LEU 40 2HD2 LEU 40 2.191 5.805 8.688 285 H LYS 41 H LYS 41 6.527 2.030 9.517 286 HA LYS 41 HA LYS 41 7.591 4.105 11.365 287 HB2 LYS 41 1HB LYS 41 8.217 1.699 11.910 288 HB3 LYS 41 2HB LYS 41 9.342 1.804 10.559 289 HG2 LYS 41 1HG LYS 41 9.476 4.178 12.335 290 HG3 LYS 41 2HG LYS 41 9.654 2.702 13.261 291 HD2 LYS 41 1HD LYS 41 11.325 3.078 10.771 292 HD3 LYS 41 2HD LYS 41 11.739 3.952 12.246 293 HE2 LYS 41 1HE LYS 41 11.964 1.898 13.515 294 HE3 LYS 41 2HE LYS 41 11.382 0.933 12.151 295 HZ1 LYS 41 3HZ LYS 41 13.838 1.084 12.491 296 HZ2 LYS 41 1HZ LYS 41 13.785 2.644 11.924 297 HZ3 LYS 41 2HZ LYS 41 13.296 1.417 10.958 298 H GLY 42 H GLY 42 6.616 4.562 8.645 299 HA2 GLY 42 1HA GLY 42 7.444 6.639 7.669 300 HA3 GLY 42 2HA GLY 42 9.084 5.974 7.686 301 H SER 43 H SER 43 9.754 5.160 5.722 302 HA SER 43 HA SER 43 8.030 4.466 3.533 303 HB2 SER 43 1HB SER 43 10.057 3.578 2.542 304 HB3 SER 43 2HB SER 43 10.417 5.150 3.279 305 HG SER 43 HG SER 43 10.823 2.560 4.374 306 H LEU 44 H LEU 44 7.326 3.004 6.109 307 HA LEU 44 HA LEU 44 7.406 0.345 5.047 308 HB2 LEU 44 1HB LEU 44 9.614 0.566 6.243 309 HB3 LEU 44 2HB LEU 44 8.735 0.793 7.750 310 HG LEU 44 HG LEU 44 9.631 -1.498 7.237 311 HD11 LEU 44 1HD1 LEU 44 7.824 -2.779 8.113 312 HD12 LEU 44 2HD1 LEU 44 6.664 -1.526 7.743 313 HD13 LEU 44 3HD1 LEU 44 7.903 -1.194 8.951 314 HD21 LEU 44 3HD2 LEU 44 8.935 -1.508 4.796 315 HD22 LEU 44 1HD2 LEU 44 7.306 -1.946 5.379 316 HD23 LEU 44 2HD2 LEU 44 8.696 -2.989 5.720 317 H ALA 45 H ALA 45 5.577 -0.574 5.608 318 HA ALA 45 HA ALA 45 4.186 0.176 8.071 319 HB1 ALA 45 1HB ALA 45 2.592 -0.206 5.507 320 HB2 ALA 45 2HB ALA 45 1.989 0.232 7.105 321 HB3 ALA 45 3HB ALA 45 2.957 1.392 6.191 322 H TRP 46 H TRP 46 2.691 -1.610 8.679 323 HA TRP 46 HA TRP 46 3.211 -4.239 7.455 324 HB2 TRP 46 1HB TRP 46 3.334 -3.420 10.360 325 HB3 TRP 46 2HB TRP 46 2.740 -5.011 9.919 326 HD1 TRP 46 HD TRP 46 5.948 -3.006 9.996 327 HE1 TRP 46 1HE TRP 46 7.953 -4.623 9.695 328 HE3 TRP 46 3HE TRP 46 3.382 -7.159 8.624 329 HZ2 TRP 46 2HZ TRP 46 8.337 -7.401 8.794 330 HZ3 TRP 46 3HZ TRP 46 4.544 -9.284 8.134 331 HH2 TRP 46 HH TRP 46 7.014 -9.404 8.152 332 H LEU 47 H LEU 47 1.452 -5.558 7.413 333 HA LEU 47 HA LEU 47 -1.110 -4.104 7.546 334 HB2 LEU 47 1HB LEU 47 0.047 -5.788 5.280 335 HB3 LEU 47 2HB LEU 47 -1.452 -4.864 5.247 336 HG LEU 47 HG LEU 47 1.382 -3.735 5.343 337 HD11 LEU 47 1HD1 LEU 47 -0.684 -4.129 3.213 338 HD12 LEU 47 2HD1 LEU 47 1.036 -4.523 3.250 339 HD13 LEU 47 3HD1 LEU 47 0.544 -2.837 3.065 340 HD21 LEU 47 3HD2 LEU 47 -0.072 -1.547 4.757 341 HD22 LEU 47 1HD2 LEU 47 0.362 -2.000 6.389 342 HD23 LEU 47 2HD2 LEU 47 -1.251 -2.389 5.790 343 H GLU 48 H GLU 48 -2.999 -5.468 7.236 344 HA GLU 48 HA GLU 48 -2.583 -8.324 7.781 345 HB2 GLU 48 1HB GLU 48 -3.864 -8.354 9.726 346 HB3 GLU 48 2HB GLU 48 -2.481 -7.271 9.921 347 HG2 GLU 48 1HG GLU 48 -3.918 -5.345 9.621 348 HG3 GLU 48 2HG GLU 48 -5.314 -6.403 9.376 349 H LEU 49 H LEU 49 -3.605 -7.526 5.351 350 HA LEU 49 HA LEU 49 -5.493 -7.564 3.957 351 HB2 LEU 49 1HB LEU 49 -5.636 -10.020 5.658 352 HB3 LEU 49 2HB LEU 49 -7.043 -9.686 4.716 353 HG LEU 49 HG LEU 49 -4.262 -10.192 3.687 354 HD11 LEU 49 1HD1 LEU 49 -5.230 -12.140 2.747 355 HD12 LEU 49 2HD1 LEU 49 -6.894 -11.539 3.041 356 HD13 LEU 49 3HD1 LEU 49 -5.903 -12.073 4.383 357 HD21 LEU 49 3HD2 LEU 49 -6.624 -9.085 2.163 358 HD22 LEU 49 1HD2 LEU 49 -5.347 -10.046 1.394 359 HD23 LEU 49 2HD2 LEU 49 -4.923 -8.568 2.274 360 H PHE 50 H PHE 50 -8.122 -8.101 3.958 361 HA PHE 50 HA PHE 50 -9.210 -6.239 6.017 362 HB2 PHE 50 1HB PHE 50 -9.055 -5.804 3.225 363 HB3 PHE 50 2HB PHE 50 -10.713 -6.322 3.514 364 HD1 PHE 50 1HD PHE 50 -8.101 -4.002 4.784 365 HD2 PHE 50 2HD PHE 50 -12.292 -4.812 4.343 366 HE1 PHE 50 1HE PHE 50 -8.676 -1.862 5.975 367 HE2 PHE 50 2HE PHE 50 -12.839 -2.858 5.785 368 HZ PHE 50 HZ PHE 50 -11.030 -1.392 6.582 369 H GLY 51 H GLY 51 -10.007 -8.942 3.868 370 HA2 GLY 51 1HA GLY 51 -11.885 -9.966 5.942 371 HA3 GLY 51 2HA GLY 51 -12.375 -9.808 4.243 372 H ALA 52 H ALA 52 -12.729 -12.261 4.745 373 HA ALA 52 HA ALA 52 -10.554 -14.096 4.632 374 HB1 ALA 52 1HB ALA 52 -13.441 -14.173 3.635 375 HB2 ALA 52 2HB ALA 52 -12.397 -15.591 3.736 376 HB3 ALA 52 3HB ALA 52 -12.856 -14.726 5.219 377 H GLU 53 H GLU 53 -11.495 -11.775 2.340 378 HA GLU 53 HA GLU 53 -10.883 -13.090 -0.175 379 HB2 GLU 53 1HB GLU 53 -10.994 -10.198 0.743 380 HB3 GLU 53 2HB GLU 53 -10.522 -10.687 -0.902 381 HG2 GLU 53 1HG GLU 53 -12.598 -11.645 -1.366 382 HG3 GLU 53 2HG GLU 53 -13.119 -11.601 0.324 383 H GLN 54 H GLN 54 -8.945 -13.993 -0.367 384 HA GLN 54 HA GLN 54 -6.537 -12.461 0.412 385 HB2 GLN 54 1HB GLN 54 -5.513 -14.365 1.538 386 HB3 GLN 54 2HB GLN 54 -6.995 -13.809 2.295 387 HG2 GLN 54 1HG GLN 54 -8.166 -15.778 1.139 388 HG3 GLN 54 2HG GLN 54 -6.566 -16.368 0.716 389 HE21 GLN 54 1HE2 GLN 54 -7.604 -14.742 3.826 390 HE22 GLN 54 2HE2 GLN 54 -6.676 -15.896 4.719 391 HA PRO 55 HA PRO 55 -5.298 -13.489 -3.538 392 HB2 PRO 55 1HB PRO 55 -2.523 -13.629 -3.380 393 HB3 PRO 55 2HB PRO 55 -3.460 -12.114 -3.281 394 HG2 PRO 55 1HG PRO 55 -2.345 -13.799 -1.043 395 HG3 PRO 55 2HG PRO 55 -2.325 -12.008 -1.236 396 HD2 PRO 55 1HD PRO 55 -4.127 -13.273 0.350 397 HD3 PRO 55 2HD PRO 55 -4.567 -11.809 -0.576 398 HA PRO 56 HA PRO 56 -4.521 -17.821 -4.108 399 HB2 PRO 56 1HB PRO 56 -2.848 -17.902 -6.344 400 HB3 PRO 56 2HB PRO 56 -4.622 -17.700 -6.371 401 HG2 PRO 56 1HG PRO 56 -2.493 -15.584 -6.577 402 HG3 PRO 56 2HG PRO 56 -4.006 -15.718 -7.505 403 HD2 PRO 56 1HD PRO 56 -3.694 -14.050 -5.360 404 HD3 PRO 56 2HD PRO 56 -5.259 -14.823 -5.724 405 HA PRO 57 HA PRO 57 -0.603 -18.492 -2.174 406 HB2 PRO 57 1HB PRO 57 -0.302 -21.191 -2.298 407 HB3 PRO 57 2HB PRO 57 -1.676 -20.452 -1.430 408 HG2 PRO 57 1HG PRO 57 -1.621 -21.543 -4.262 409 HG3 PRO 57 2HG PRO 57 -2.809 -21.903 -2.974 410 HD2 PRO 57 1HD PRO 57 -3.230 -19.983 -4.905 411 HD3 PRO 57 2HD PRO 57 -3.870 -19.826 -3.243 412 H ASN 58 H ASN 58 1.636 -19.094 -2.546 413 HA ASN 58 HA ASN 58 3.579 -19.027 -3.715 414 HB2 ASN 58 1HB ASN 58 2.005 -20.769 -5.600 415 HB3 ASN 58 2HB ASN 58 3.605 -20.219 -6.066 416 HD21 ASN 58 1HD2 ASN 58 2.269 -22.855 -5.114 417 HD22 ASN 58 2HD2 ASN 58 3.536 -23.548 -4.117 418 H THR 59 H THR 59 1.797 -16.819 -3.812 419 HA THR 59 HA THR 59 2.440 -15.701 -6.508 420 HB THR 59 HB THR 59 -0.066 -14.878 -5.093 421 HG1 THR 59 1HG THR 59 0.061 -17.227 -6.693 422 HG21 THR 59 3HG2 THR 59 -0.762 -14.310 -7.183 423 HG22 THR 59 1HG2 THR 59 0.187 -15.567 -8.024 424 HG23 THR 59 2HG2 THR 59 0.997 -14.133 -7.381 425 H LEU 60 H LEU 60 1.841 -15.108 -3.031 426 HA LEU 60 HA LEU 60 2.801 -12.349 -3.235 427 HB2 LEU 60 1HB LEU 60 1.913 -14.178 -0.985 428 HB3 LEU 60 2HB LEU 60 2.901 -12.766 -0.635 429 HG LEU 60 HG LEU 60 0.269 -12.607 -2.157 430 HD11 LEU 60 1HD1 LEU 60 -0.283 -13.257 0.083 431 HD12 LEU 60 2HD1 LEU 60 -0.520 -11.494 -0.024 432 HD13 LEU 60 3HD1 LEU 60 0.905 -12.150 0.783 433 HD21 LEU 60 3HD2 LEU 60 1.738 -10.696 -2.664 434 HD22 LEU 60 1HD2 LEU 60 2.087 -10.467 -0.942 435 HD23 LEU 60 2HD2 LEU 60 0.467 -10.167 -1.579 436 H SER 61 H SER 61 4.862 -11.690 -2.845 437 HA SER 61 HA SER 61 6.778 -13.583 -1.724 438 HB2 SER 61 1HB SER 61 7.394 -11.850 -4.120 439 HB3 SER 61 2HB SER 61 8.480 -12.947 -3.265 440 HG SER 61 HG SER 61 6.635 -13.414 -5.227 441 H GLU 62 H GLU 62 8.713 -12.410 -1.002 442 HA GLU 62 HA GLU 62 7.970 -10.137 0.578 443 HB2 GLU 62 1HB GLU 62 10.713 -11.356 0.040 444 HB3 GLU 62 2HB GLU 62 10.318 -10.223 1.344 445 HG2 GLU 62 1HG GLU 62 8.673 -12.023 2.185 446 HG3 GLU 62 2HG GLU 62 9.410 -13.110 1.065 447 H GLY 63 H GLY 63 8.660 -10.084 -2.616 448 HA2 GLY 63 1HA GLY 63 9.508 -7.254 -2.557 449 HA3 GLY 63 2HA GLY 63 10.507 -8.376 -3.490 450 H ALA 64 H ALA 64 7.004 -8.747 -3.079 451 HA ALA 64 HA ALA 64 6.410 -8.546 -5.943 452 HB1 ALA 64 1HB ALA 64 4.025 -8.135 -4.646 453 HB2 ALA 64 2HB ALA 64 4.689 -9.750 -4.957 454 HB3 ALA 64 3HB ALA 64 4.901 -9.010 -3.375 455 H GLU 65 H GLU 65 5.896 -6.775 -7.022 456 HA GLU 65 HA GLU 65 6.282 -4.153 -5.774 457 HB2 GLU 65 1HB GLU 65 5.993 -3.255 -8.028 458 HB3 GLU 65 2HB GLU 65 7.351 -4.350 -7.886 459 HG2 GLU 65 1HG GLU 65 6.048 -6.137 -9.012 460 HG3 GLU 65 2HG GLU 65 4.682 -5.038 -9.134 461 H VAL 66 H VAL 66 4.580 -3.215 -4.879 462 HA VAL 66 HA VAL 66 1.846 -4.144 -5.489 463 HB VAL 66 HB VAL 66 1.262 -4.360 -3.174 464 HG11 VAL 66 1HG1 VAL 66 3.806 -5.968 -3.548 465 HG12 VAL 66 2HG1 VAL 66 2.381 -6.417 -2.604 466 HG13 VAL 66 3HG1 VAL 66 2.300 -6.344 -4.379 467 HG21 VAL 66 3HG2 VAL 66 2.607 -2.819 -2.018 468 HG22 VAL 66 1HG2 VAL 66 3.173 -4.414 -1.444 469 HG23 VAL 66 2HG2 VAL 66 4.120 -3.517 -2.630 470 H SER 67 H SER 67 0.388 -2.416 -5.413 471 HA SER 67 HA SER 67 1.716 0.217 -5.019 472 HB2 SER 67 1HB SER 67 -0.379 0.160 -6.995 473 HB3 SER 67 2HB SER 67 1.279 0.727 -7.088 474 HG SER 67 HG SER 67 1.035 -0.833 -8.544 475 H VAL 68 H VAL 68 0.902 1.486 -3.466 476 HA VAL 68 HA VAL 68 -1.468 0.749 -2.093 477 HB VAL 68 HB VAL 68 -0.905 2.247 -0.507 478 HG11 VAL 68 1HG1 VAL 68 1.278 2.245 0.113 479 HG12 VAL 68 2HG1 VAL 68 0.898 0.640 -0.516 480 HG13 VAL 68 3HG1 VAL 68 1.809 1.799 -1.545 481 HG21 VAL 68 3HG2 VAL 68 0.493 4.110 -0.562 482 HG22 VAL 68 1HG2 VAL 68 -1.075 4.272 -1.442 483 HG23 VAL 68 2HG2 VAL 68 0.419 4.034 -2.350 484 H SER 69 H SER 69 -3.251 2.199 -1.704 485 HA SER 69 HA SER 69 -3.217 4.807 -2.681 486 HB2 SER 69 1HB SER 69 -4.944 4.901 -4.273 487 HB3 SER 69 2HB SER 69 -3.984 3.482 -4.713 488 HG SER 69 HG SER 69 -6.515 3.538 -3.418 489 H VAL 70 H VAL 70 -4.530 6.201 -1.436 490 HA VAL 70 HA VAL 70 -6.830 5.154 -0.053 491 HB VAL 70 HB VAL 70 -4.912 4.683 1.442 492 HG11 VAL 70 1HG1 VAL 70 -4.640 7.706 1.759 493 HG12 VAL 70 2HG1 VAL 70 -3.768 6.453 2.649 494 HG13 VAL 70 3HG1 VAL 70 -3.505 6.644 0.912 495 HG21 VAL 70 3HG2 VAL 70 -6.046 5.396 3.432 496 HG22 VAL 70 1HG2 VAL 70 -6.818 6.731 2.599 497 HG23 VAL 70 2HG2 VAL 70 -7.252 5.038 2.212 498 H TRP 71 H TRP 71 -8.079 6.890 0.847 499 HA TRP 71 HA TRP 71 -7.860 9.472 -0.566 500 HB2 TRP 71 1HB TRP 71 -10.087 8.187 1.065 501 HB3 TRP 71 2HB TRP 71 -10.170 9.745 0.263 502 HD1 TRP 71 HD TRP 71 -10.069 5.987 -0.556 503 HE1 TRP 71 1HE TRP 71 -10.909 5.591 -2.919 504 HE3 TRP 71 3HE TRP 71 -10.251 10.812 -2.075 505 HZ2 TRP 71 2HZ TRP 71 -11.469 7.213 -5.294 506 HZ3 TRP 71 3HZ TRP 71 -10.881 11.383 -4.399 507 HH2 TRP 71 HH TRP 71 -11.447 9.580 -6.033 508 H THR 72 H THR 72 -6.980 11.103 0.560 509 HA THR 72 HA THR 72 -7.220 11.363 3.431 510 HB THR 72 HB THR 72 -5.225 9.916 3.212 511 HG1 THR 72 1HG THR 72 -5.059 11.407 4.776 512 HG21 THR 72 3HG2 THR 72 -3.196 10.988 2.004 513 HG22 THR 72 1HG2 THR 72 -4.332 11.955 1.121 514 HG23 THR 72 2HG2 THR 72 -4.422 10.184 1.003 515 H GLY 73 H GLY 73 -6.386 13.645 3.937 516 HA2 GLY 73 1HA GLY 73 -6.900 15.850 3.537 517 HA3 GLY 73 2HA GLY 73 -5.871 15.662 2.101 518 H GLY 74 H GLY 74 -6.946 16.062 0.156 519 HA2 GLY 74 1HA GLY 74 -9.930 15.811 0.031 520 HA3 GLY 74 2HA GLY 74 -9.010 17.189 -0.558 521 H ALA 75 H ALA 75 -7.573 14.002 -1.143 522 HA ALA 75 HA ALA 75 -8.686 13.788 -3.836 523 HB1 ALA 75 1HB ALA 75 -6.989 15.580 -4.120 524 HB2 ALA 75 2HB ALA 75 -5.767 14.527 -3.388 525 HB3 ALA 75 3HB ALA 75 -6.481 14.103 -4.954 526 H LEU 76 H LEU 76 -7.300 11.886 -5.048 527 HA LEU 76 HA LEU 76 -7.018 9.739 -3.033 528 HB2 LEU 76 1HB LEU 76 -8.508 9.294 -4.961 529 HB3 LEU 76 2HB LEU 76 -7.172 9.693 -6.059 530 HG LEU 76 HG LEU 76 -5.856 7.799 -5.102 531 HD11 LEU 76 1HD1 LEU 76 -6.665 6.227 -3.609 532 HD12 LEU 76 2HD1 LEU 76 -8.366 6.617 -3.922 533 HD13 LEU 76 3HD1 LEU 76 -7.391 7.680 -2.923 534 HD21 LEU 76 3HD2 LEU 76 -8.580 7.078 -6.240 535 HD22 LEU 76 1HD2 LEU 76 -7.089 6.069 -6.296 536 HD23 LEU 76 2HD2 LEU 76 -7.177 7.612 -7.165 537 H CYS 77 H CYS 77 -4.989 9.426 -2.350 538 HA CYS 77 HA CYS 77 -2.680 10.194 -4.057 539 HB2 CYS 77 1HB CYS 77 -3.121 9.720 -1.101 540 HB3 CYS 77 2HB CYS 77 -1.520 9.707 -1.795 541 HG CYS 77 HG CYS 77 -1.451 12.043 -2.671 542 H ARG 78 H ARG 78 -1.068 8.615 -4.444 543 HA ARG 78 HA ARG 78 -1.518 5.789 -3.921 544 HB2 ARG 78 1HB ARG 78 -3.051 6.050 -5.692 545 HB3 ARG 78 2HB ARG 78 -1.965 7.034 -6.669 546 HG2 ARG 78 1HG ARG 78 -1.329 4.254 -6.009 547 HG3 ARG 78 2HG ARG 78 -2.454 4.554 -7.233 548 HD2 ARG 78 1HD ARG 78 -0.628 5.801 -8.485 549 HD3 ARG 78 2HD ARG 78 0.515 5.233 -7.254 550 HE ARG 78 HE ARG 78 -0.557 2.935 -7.850 551 HH11 ARG 78 1HH1 ARG 78 0.935 5.312 -9.953 552 HH12 ARG 78 2HH1 ARG 78 1.092 4.253 -11.309 553 HH21 ARG 78 1HH2 ARG 78 -0.576 1.540 -9.702 554 HH22 ARG 78 2HH2 ARG 78 0.488 1.948 -11.001 555 H CYS 79 H CYS 79 0.413 4.844 -3.839 556 HA CYS 79 HA CYS 79 2.761 6.095 -5.094 557 HB2 CYS 79 1HB CYS 79 2.203 6.763 -2.686 558 HB3 CYS 79 2HB CYS 79 2.390 5.135 -2.168 559 HG CYS 79 HG CYS 79 4.714 6.647 -3.958 560 H ASP 80 H ASP 80 4.016 4.461 -6.020 561 HA ASP 80 HA ASP 80 3.088 1.672 -5.907 562 HB2 ASP 80 1HB ASP 80 5.437 2.929 -7.379 563 HB3 ASP 80 2HB ASP 80 5.083 1.210 -7.328 564 H GLY 81 H GLY 81 4.357 -0.057 -4.905 565 HA2 GLY 81 1HA GLY 81 6.500 0.734 -3.029 566 HA3 GLY 81 2HA GLY 81 4.987 0.011 -2.496 567 H ARG 82 H ARG 82 6.853 -1.469 -1.706 568 HA ARG 82 HA ARG 82 6.566 -3.830 -3.407 569 HB2 ARG 82 1HB ARG 82 9.110 -3.483 -1.792 570 HB3 ARG 82 2HB ARG 82 8.631 -4.839 -2.829 571 HG2 ARG 82 1HG ARG 82 8.530 -2.664 -4.564 572 HG3 ARG 82 2HG ARG 82 9.923 -2.281 -3.559 573 HD2 ARG 82 1HD ARG 82 9.410 -4.952 -4.972 574 HD3 ARG 82 2HD ARG 82 10.323 -3.591 -5.614 575 HE ARG 82 HE ARG 82 11.382 -4.353 -3.067 576 HH11 ARG 82 1HH1 ARG 82 11.420 -5.222 -6.537 577 HH12 ARG 82 2HH1 ARG 82 13.024 -5.884 -6.468 578 HH21 ARG 82 1HH2 ARG 82 13.429 -5.511 -3.001 579 HH22 ARG 82 2HH2 ARG 82 14.193 -5.949 -4.499 580 H VAL 83 H VAL 83 6.798 -5.852 -1.934 581 HA VAL 83 HA VAL 83 5.360 -5.588 0.526 582 HB VAL 83 HB VAL 83 6.894 -7.841 -0.765 583 HG11 VAL 83 1HG1 VAL 83 5.748 -9.354 0.784 584 HG12 VAL 83 2HG1 VAL 83 6.830 -8.281 1.661 585 HG13 VAL 83 3HG1 VAL 83 5.085 -7.953 1.676 586 HG21 VAL 83 3HG2 VAL 83 4.505 -8.653 -1.127 587 HG22 VAL 83 1HG2 VAL 83 3.947 -7.094 -0.512 588 HG23 VAL 83 2HG2 VAL 83 4.920 -7.167 -1.992 589 H GLU 84 H GLU 84 8.801 -5.735 -0.160 590 HA GLU 84 HA GLU 84 10.659 -5.359 1.059 591 HB2 GLU 84 1HB GLU 84 9.218 -3.511 2.125 592 HB3 GLU 84 2HB GLU 84 9.061 -4.562 3.508 593 HG2 GLU 84 1HG GLU 84 11.873 -4.347 2.665 594 HG3 GLU 84 2HG GLU 84 11.166 -2.763 2.892 595 H THR 85 H THR 85 8.309 -6.754 3.435 596 HA THR 85 HA THR 85 9.728 -9.327 3.340 597 HB THR 85 HB THR 85 9.578 -7.653 5.883 598 HG1 THR 85 1HG THR 85 11.423 -7.401 4.678 599 HG21 THR 85 3HG2 THR 85 10.539 -9.662 7.032 600 HG22 THR 85 1HG2 THR 85 10.155 -10.636 5.585 601 HG23 THR 85 2HG2 THR 85 8.856 -9.881 6.538 602 H LEU 86 H LEU 86 8.245 -10.914 3.384 603 HA LEU 86 HA LEU 86 5.441 -10.235 3.927 604 HB2 LEU 86 1HB LEU 86 6.329 -11.561 1.802 605 HB3 LEU 86 2HB LEU 86 6.423 -12.901 2.925 606 HG LEU 86 HG LEU 86 3.871 -12.188 3.435 607 HD11 LEU 86 1HD1 LEU 86 4.215 -11.260 0.544 608 HD12 LEU 86 2HD1 LEU 86 4.031 -10.165 1.910 609 HD13 LEU 86 3HD1 LEU 86 2.725 -11.264 1.520 610 HD21 LEU 86 3HD2 LEU 86 4.531 -14.348 2.534 611 HD22 LEU 86 1HD2 LEU 86 4.662 -13.658 0.907 612 HD23 LEU 86 2HD2 LEU 86 3.077 -13.720 1.720 613 H ARG 87 H ARG 87 4.203 -11.912 5.344 614 HA ARG 87 HA ARG 87 5.978 -13.454 7.139 615 HB2 ARG 87 1HB ARG 87 5.594 -11.378 8.286 616 HB3 ARG 87 2HB ARG 87 3.853 -11.445 7.973 617 HG2 ARG 87 1HG ARG 87 3.546 -13.340 9.425 618 HG3 ARG 87 2HG ARG 87 5.305 -13.523 9.632 619 HD2 ARG 87 1HD ARG 87 5.361 -11.194 10.583 620 HD3 ARG 87 2HD ARG 87 3.604 -11.131 10.464 621 HE ARG 87 HE ARG 87 3.456 -12.202 12.405 622 HH11 ARG 87 1HH1 ARG 87 6.672 -12.966 11.136 623 HH12 ARG 87 2HH1 ARG 87 7.238 -13.711 12.561 624 HH21 ARG 87 1HH2 ARG 87 4.203 -13.151 14.354 625 HH22 ARG 87 2HH2 ARG 87 5.764 -13.841 14.469 626 H ASP 88 H ASP 88 2.613 -12.968 5.948 627 HA ASP 88 HA ASP 88 2.177 -15.885 6.031 628 HB2 ASP 88 1HB ASP 88 0.270 -13.803 7.210 629 HB3 ASP 88 2HB ASP 88 -0.184 -15.439 6.838 630 H ASP 89 H ASP 89 -0.073 -16.174 4.665 631 HA ASP 89 HA ASP 89 -0.001 -14.587 2.256 632 HB2 ASP 89 1HB ASP 89 -1.858 -16.676 3.403 633 HB3 ASP 89 2HB ASP 89 -2.420 -15.671 2.077 634 H ARG 90 H ARG 90 -0.972 -13.670 5.326 635 HA ARG 90 HA ARG 90 -2.681 -11.521 4.244 636 HB2 ARG 90 1HB ARG 90 -4.264 -11.824 6.067 637 HB3 ARG 90 2HB ARG 90 -4.188 -13.237 5.003 638 HG2 ARG 90 1HG ARG 90 -3.003 -14.547 6.598 639 HG3 ARG 90 2HG ARG 90 -2.706 -13.159 7.659 640 HD2 ARG 90 1HD ARG 90 -4.789 -13.154 8.530 641 HD3 ARG 90 2HD ARG 90 -5.566 -13.600 7.000 642 HE ARG 90 HE ARG 90 -4.431 -15.923 7.609 643 HH11 ARG 90 1HH1 ARG 90 -6.527 -13.717 9.402 644 HH12 ARG 90 2HH1 ARG 90 -7.325 -14.965 10.307 645 HH21 ARG 90 1HH2 ARG 90 -5.432 -17.608 8.950 646 HH22 ARG 90 2HH2 ARG 90 -6.744 -17.207 9.982 647 H GLN 91 H GLN 91 0.124 -12.094 6.024 648 HA GLN 91 HA GLN 91 -0.192 -9.452 7.277 649 HB2 GLN 91 1HB GLN 91 1.219 -11.848 8.535 650 HB3 GLN 91 2HB GLN 91 1.394 -10.174 9.018 651 HG2 GLN 91 1HG GLN 91 -1.102 -10.125 9.496 652 HG3 GLN 91 2HG GLN 91 -1.099 -11.869 9.265 653 HE21 GLN 91 1HE2 GLN 91 1.406 -9.811 10.989 654 HE22 GLN 91 2HE2 GLN 91 1.148 -10.588 12.526 655 H PHE 92 H PHE 92 1.457 -8.180 6.654 656 HA PHE 92 HA PHE 92 4.137 -9.110 6.060 657 HB2 PHE 92 1HB PHE 92 3.995 -8.576 3.579 658 HB3 PHE 92 2HB PHE 92 3.367 -10.121 4.126 659 HD1 PHE 92 1HD PHE 92 2.386 -6.741 3.050 660 HD2 PHE 92 2HD PHE 92 1.099 -10.794 3.744 661 HE1 PHE 92 1HE PHE 92 0.269 -6.216 2.086 662 HE2 PHE 92 2HE PHE 92 -1.133 -10.239 2.897 663 HZ PHE 92 HZ PHE 92 -1.627 -7.971 2.036 664 H ALA 93 H ALA 93 5.424 -7.329 4.987 665 HA ALA 93 HA ALA 93 4.533 -4.766 6.069 666 HB1 ALA 93 1HB ALA 93 6.765 -4.149 6.118 667 HB2 ALA 93 2HB ALA 93 6.847 -5.874 6.480 668 HB3 ALA 93 3HB ALA 93 7.238 -5.313 4.855 669 H ILE 94 H ILE 94 5.359 -2.802 4.585 670 HA ILE 94 HA ILE 94 5.659 -3.465 1.822 671 HB ILE 94 HB ILE 94 4.243 -1.400 1.189 672 HG12 ILE 94 1HG1 ILE 94 2.662 -2.156 3.667 673 HG13 ILE 94 2HG1 ILE 94 3.719 -0.758 3.585 674 HG21 ILE 94 1HG2 ILE 94 2.396 -2.776 0.564 675 HG22 ILE 94 2HG2 ILE 94 3.832 -3.822 0.599 676 HG23 ILE 94 3HG2 ILE 94 2.684 -3.887 1.924 677 HD11 ILE 94 3HD1 ILE 94 2.411 0.264 1.816 678 HD12 ILE 94 1HD1 ILE 94 1.343 -1.149 1.724 679 HD13 ILE 94 2HD1 ILE 94 1.370 -0.155 3.188 680 H ARG 95 H ARG 95 7.150 -2.164 0.871 681 HA ARG 95 HA ARG 95 8.172 0.218 2.341 682 HB2 ARG 95 1HB ARG 95 9.857 -1.534 1.491 683 HB3 ARG 95 2HB ARG 95 9.405 -1.048 -0.135 684 HG2 ARG 95 1HG ARG 95 11.129 0.431 0.097 685 HG3 ARG 95 2HG ARG 95 9.957 1.412 0.964 686 HD2 ARG 95 1HD ARG 95 11.664 1.404 2.511 687 HD3 ARG 95 2HD ARG 95 10.756 0.003 3.073 688 HE ARG 95 HE ARG 95 12.453 -1.402 2.405 689 HH11 ARG 95 1HH1 ARG 95 13.092 1.821 0.970 690 HH12 ARG 95 2HH1 ARG 95 14.737 1.484 0.629 691 HH21 ARG 95 1HH2 ARG 95 14.620 -1.830 1.865 692 HH22 ARG 95 2HH2 ARG 95 15.632 -0.688 1.081 693 H LEU 96 H LEU 96 7.574 2.182 1.618 694 HA LEU 96 HA LEU 96 5.978 2.466 -0.870 695 HB2 LEU 96 1HB LEU 96 6.862 4.510 1.229 696 HB3 LEU 96 2HB LEU 96 5.782 4.794 -0.142 697 HG LEU 96 HG LEU 96 4.275 4.718 1.516 698 HD11 LEU 96 1HD1 LEU 96 3.664 2.979 -0.129 699 HD12 LEU 96 2HD1 LEU 96 3.012 2.696 1.502 700 HD13 LEU 96 3HD1 LEU 96 4.392 1.740 0.922 701 HD21 LEU 96 3HD2 LEU 96 5.791 4.235 3.355 702 HD22 LEU 96 1HD2 LEU 96 5.744 2.490 2.969 703 HD23 LEU 96 2HD2 LEU 96 4.285 3.348 3.509 704 H VAL 97 H VAL 97 6.950 3.267 -2.834 705 HA VAL 97 HA VAL 97 9.570 4.582 -2.621 706 HB VAL 97 HB VAL 97 10.398 3.199 -4.446 707 HG11 VAL 97 1HG1 VAL 97 11.134 2.559 -2.257 708 HG12 VAL 97 2HG1 VAL 97 9.641 1.645 -1.940 709 HG13 VAL 97 3HG1 VAL 97 10.776 1.071 -3.143 710 HG21 VAL 97 3HG2 VAL 97 8.266 1.129 -4.033 711 HG22 VAL 97 1HG2 VAL 97 8.049 2.410 -5.242 712 HG23 VAL 97 2HG2 VAL 97 9.429 1.300 -5.346 713 H GLY 98 H GLY 98 10.232 5.531 -4.801 714 HA2 GLY 98 1HA GLY 98 9.764 6.603 -6.776 715 HA3 GLY 98 2HA GLY 98 8.260 5.672 -6.832 716 H ARG 99 H ARG 99 8.584 7.480 -4.006 717 HA ARG 99 HA ARG 99 7.457 8.933 -2.940 718 HB2 ARG 99 1HB ARG 99 7.926 11.067 -3.471 719 HB3 ARG 99 2HB ARG 99 9.007 10.241 -4.557 720 HG2 ARG 99 1HG ARG 99 8.148 11.819 -5.957 721 HG3 ARG 99 2HG ARG 99 7.043 10.510 -6.332 722 HD2 ARG 99 1HD ARG 99 5.267 11.613 -5.500 723 HD3 ARG 99 2HD ARG 99 6.115 12.006 -4.015 724 HE ARG 99 HE ARG 99 6.504 14.087 -4.707 725 HH11 ARG 99 1HH1 ARG 99 5.372 12.279 -7.530 726 HH12 ARG 99 2HH1 ARG 99 5.540 13.611 -8.629 727 HH21 ARG 99 1HH2 ARG 99 6.771 15.838 -6.096 728 HH22 ARG 99 2HH2 ARG 99 6.249 15.772 -7.735 729 H VAL 100 H VAL 100 5.449 10.292 -2.710 730 HA VAL 100 HA VAL 100 3.166 9.200 -4.203 731 HB VAL 100 HB VAL 100 2.940 8.398 -2.009 732 HG11 VAL 100 1HG1 VAL 100 3.932 10.778 -0.805 733 HG12 VAL 100 2HG1 VAL 100 3.034 9.357 -0.058 734 HG13 VAL 100 3HG1 VAL 100 4.536 9.116 -0.913 735 HG21 VAL 100 3HG2 VAL 100 0.862 9.118 -1.345 736 HG22 VAL 100 1HG2 VAL 100 1.016 10.540 -2.402 737 HG23 VAL 100 2HG2 VAL 100 0.997 8.933 -3.095 738 H ARG 101 H ARG 101 1.956 10.709 -5.286 739 HA ARG 101 HA ARG 101 1.826 13.457 -4.377 740 HB2 ARG 101 1HB ARG 101 3.475 13.437 -6.190 741 HB3 ARG 101 2HB ARG 101 2.389 12.532 -7.234 742 HG2 ARG 101 1HG ARG 101 0.999 14.904 -6.422 743 HG3 ARG 101 2HG ARG 101 2.634 15.406 -6.772 744 HD2 ARG 101 1HD ARG 101 0.862 13.766 -8.639 745 HD3 ARG 101 2HD ARG 101 1.014 15.521 -8.720 746 HE ARG 101 HE ARG 101 2.803 13.529 -9.742 747 HH11 ARG 101 1HH1 ARG 101 2.521 16.945 -8.866 748 HH12 ARG 101 2HH1 ARG 101 4.057 17.435 -9.398 749 HH21 ARG 101 1HH2 ARG 101 4.806 14.110 -10.685 750 HH22 ARG 101 2HH2 ARG 101 5.323 15.758 -10.700 751 H GLU 102 H GLU 102 -0.281 14.315 -5.150 752 HA GLU 102 HA GLU 102 -2.481 12.409 -5.239 753 HB2 GLU 102 1HB GLU 102 -2.297 15.402 -5.846 754 HB3 GLU 102 2HB GLU 102 -3.796 14.508 -5.623 755 HG2 GLU 102 1HG GLU 102 -3.608 14.451 -3.328 756 HG3 GLU 102 2HG GLU 102 -1.893 14.200 -3.358 757 H LEU 103 H LEU 103 -2.525 11.107 -7.080 758 HA LEU 103 HA LEU 103 -1.849 12.372 -9.660 759 HB2 LEU 103 1HB LEU 103 -2.201 10.097 -10.663 760 HB3 LEU 103 2HB LEU 103 -0.716 10.454 -9.835 761 HG LEU 103 HG LEU 103 -2.987 9.248 -8.254 762 HD11 LEU 103 1HD1 LEU 103 -2.924 7.940 -10.317 763 HD12 LEU 103 2HD1 LEU 103 -2.381 6.992 -8.953 764 HD13 LEU 103 3HD1 LEU 103 -1.181 7.634 -10.095 765 HD21 LEU 103 3HD2 LEU 103 -0.251 8.250 -7.806 766 HD22 LEU 103 1HD2 LEU 103 -1.342 9.120 -6.708 767 HD23 LEU 103 2HD2 LEU 103 -0.305 10.021 -7.786 768 H GLN 104 H GLN 104 -4.637 11.595 -7.758 769 HA GLN 104 HA GLN 104 -6.293 12.362 -10.032 770 HB2 GLN 104 1HB GLN 104 -6.753 9.816 -8.410 771 HB3 GLN 104 2HB GLN 104 -7.990 10.554 -9.420 772 HG2 GLN 104 1HG GLN 104 -5.352 9.470 -10.456 773 HG3 GLN 104 2HG GLN 104 -6.886 8.613 -10.441 774 HE21 GLN 104 1HE2 GLN 104 -6.877 8.391 -12.844 775 HE22 GLN 104 2HE2 GLN 104 -7.233 9.835 -13.777 776 H ARG 105 H ARG 105 -8.206 13.333 -9.488 777 HA ARG 105 HA ARG 105 -8.639 14.001 -6.609 778 HB2 ARG 105 1HB ARG 105 -8.469 15.595 -9.164 779 HB3 ARG 105 2HB ARG 105 -9.410 16.227 -7.812 780 HG2 ARG 105 1HG ARG 105 -7.545 16.257 -6.352 781 HG3 ARG 105 2HG ARG 105 -6.517 15.319 -7.464 782 HD2 ARG 105 1HD ARG 105 -6.125 17.062 -8.865 783 HD3 ARG 105 2HD ARG 105 -7.714 17.767 -8.603 784 HE ARG 105 HE ARG 105 -5.434 17.971 -6.677 785 HH11 ARG 105 1HH1 ARG 105 -8.414 19.405 -8.109 786 HH12 ARG 105 2HH1 ARG 105 -8.586 20.542 -6.830 787 HH21 ARG 105 1HH2 ARG 105 -5.257 19.873 -5.551 788 HH22 ARG 105 2HH2 ARG 105 -6.463 21.097 -5.617 789 H ARG 106 H ARG 106 -10.880 15.165 -6.535 790 HA ARG 106 HA ARG 106 -12.992 13.723 -7.974 791 HB2 ARG 106 1HB ARG 106 -11.916 12.768 -5.637 792 HB3 ARG 106 2HB ARG 106 -13.078 13.860 -4.956 793 HG2 ARG 106 1HG ARG 106 -14.298 12.215 -7.103 794 HG3 ARG 106 2HG ARG 106 -13.395 11.211 -5.945 795 HD2 ARG 106 1HD ARG 106 -14.637 12.453 -4.114 796 HD3 ARG 106 2HD ARG 106 -15.649 13.158 -5.390 797 HE ARG 106 HE ARG 106 -15.617 10.311 -5.655 798 HH11 ARG 106 1HH1 ARG 106 -16.794 12.845 -3.475 799 HH12 ARG 106 2HH1 ARG 106 -18.315 12.070 -3.210 800 HH21 ARG 106 1HH2 ARG 106 -17.529 9.065 -4.900 801 HH22 ARG 106 2HH2 ARG 106 -18.637 9.907 -3.878 802 H GLU 107 H GLU 107 -11.818 16.427 -8.071 803 HA GLU 107 HA GLU 107 -13.790 18.144 -6.710 804 HB2 GLU 107 1HB GLU 107 -11.307 18.522 -6.479 805 HB3 GLU 107 2HB GLU 107 -11.234 18.899 -8.198 806 HG2 GLU 107 1HG GLU 107 -12.866 20.776 -7.787 807 HG3 GLU 107 2HG GLU 107 -12.899 20.331 -6.072 808 H TYR 108 H TYR 108 -15.593 17.611 -8.003 809 HA TYR 108 HA TYR 108 -15.271 17.973 -10.953 810 HB2 TYR 108 1HB TYR 108 -16.967 16.074 -9.359 811 HB3 TYR 108 2HB TYR 108 -17.518 16.637 -10.923 812 HD1 TYR 108 1HD TYR 108 -14.706 14.856 -9.231 813 HD2 TYR 108 2HD TYR 108 -16.641 15.791 -12.949 814 HE1 TYR 108 1HE TYR 108 -13.083 13.360 -10.454 815 HE2 TYR 108 2HE TYR 108 -15.086 14.303 -14.160 816 HH TYR 108 HH TYR 108 -12.996 13.349 -13.990 817 H PHE 109 H PHE 109 -15.459 20.176 -11.048 818 HA PHE 109 HA PHE 109 -18.160 21.249 -10.688 819 HB2 PHE 109 1HB PHE 109 -15.674 22.200 -9.324 820 HB3 PHE 109 2HB PHE 109 -16.637 23.429 -10.132 821 HD1 PHE 109 2HD PHE 109 -16.981 20.595 -7.671 822 HD2 PHE 109 1HD PHE 109 -18.610 24.286 -9.197 823 HE1 PHE 109 2HE PHE 109 -18.696 20.573 -5.892 824 HE2 PHE 109 1HE PHE 109 -20.313 24.278 -7.416 825 HZ PHE 109 HZ PHE 109 -20.386 22.410 -5.769 Start of MODEL 12 1 H1 GLY 1 H GLY 1 14.408 7.621 -9.971 2 HA2 GLY 1 1HA GLY 1 15.160 9.445 -11.378 3 HA3 GLY 1 2HA GLY 1 13.961 10.493 -10.603 4 H MET 2 H MET 2 14.311 11.103 -8.284 5 HA MET 2 HA MET 2 17.081 11.182 -7.455 6 HB2 MET 2 1HB MET 2 16.194 12.035 -5.341 7 HB3 MET 2 2HB MET 2 15.575 12.942 -6.698 8 HG2 MET 2 1HG MET 2 13.994 10.728 -5.305 9 HG3 MET 2 2HG MET 2 13.984 12.418 -4.807 10 HE1 MET 2 3HE MET 2 11.759 13.314 -4.976 11 HE2 MET 2 1HE MET 2 10.536 12.824 -6.165 12 HE3 MET 2 2HE MET 2 11.202 11.632 -5.032 13 H SER 3 H SER 3 17.837 10.146 -5.487 14 HA SER 3 HA SER 3 16.558 7.540 -4.787 15 HB2 SER 3 1HB SER 3 19.522 8.184 -4.907 16 HB3 SER 3 2HB SER 3 18.779 6.594 -4.666 17 HG SER 3 HG SER 3 19.561 7.631 -6.872 18 H ALA 4 H ALA 4 17.098 10.562 -3.547 19 HA ALA 4 HA ALA 4 17.507 9.565 -0.782 20 HB1 ALA 4 1HB ALA 4 18.843 11.613 -0.346 21 HB2 ALA 4 2HB ALA 4 19.609 10.499 -1.492 22 HB3 ALA 4 3HB ALA 4 18.804 11.969 -2.096 23 H ASP 5 H ASP 5 15.067 9.734 -1.862 24 HA ASP 5 HA ASP 5 13.919 11.517 0.049 25 HB2 ASP 5 1HB ASP 5 13.519 12.943 -1.896 26 HB3 ASP 5 2HB ASP 5 12.923 11.551 -2.832 27 H GLY 6 H GLY 6 11.812 10.790 0.530 28 HA2 GLY 6 1HA GLY 6 10.110 9.013 -0.261 29 HA3 GLY 6 2HA GLY 6 11.316 7.885 0.439 30 H SER 7 H SER 7 9.734 11.051 1.258 31 HA SER 7 HA SER 7 9.610 10.102 4.104 32 HB2 SER 7 1HB SER 7 11.459 11.719 3.308 33 HB3 SER 7 2HB SER 7 10.197 12.954 3.339 34 HG SER 7 HG SER 7 11.490 12.567 5.310 35 H GLU 8 H GLU 8 7.813 11.973 1.609 36 HA GLU 8 HA GLU 8 5.942 13.031 3.497 37 HB2 GLU 8 1HB GLU 8 5.903 12.698 0.477 38 HB3 GLU 8 2HB GLU 8 4.513 13.321 1.365 39 HG2 GLU 8 1HG GLU 8 5.979 15.049 2.447 40 HG3 GLU 8 2HG GLU 8 7.304 14.510 1.390 41 H TYR 9 H TYR 9 6.188 9.733 2.827 42 HA TYR 9 HA TYR 9 3.532 9.023 2.156 43 HB2 TYR 9 1HB TYR 9 5.277 7.345 3.999 44 HB3 TYR 9 2HB TYR 9 4.120 6.802 2.817 45 HD1 TYR 9 2HD TYR 9 4.804 7.543 0.286 46 HD2 TYR 9 1HD TYR 9 7.484 6.828 3.566 47 HE1 TYR 9 2HE TYR 9 6.652 7.162 -1.348 48 HE2 TYR 9 1HE TYR 9 9.325 6.525 1.956 49 HH TYR 9 HH TYR 9 9.098 6.958 -1.514 50 H GLY 10 H GLY 10 5.101 9.355 5.361 51 HA2 GLY 10 1HA GLY 10 2.895 8.399 6.875 52 HA3 GLY 10 2HA GLY 10 4.267 9.367 7.449 53 H ARG 11 H ARG 11 3.287 11.468 5.258 54 HA ARG 11 HA ARG 11 1.666 12.965 7.168 55 HB2 ARG 11 1HB ARG 11 2.493 13.509 4.287 56 HB3 ARG 11 2HB ARG 11 1.519 14.592 5.252 57 HG2 ARG 11 1HG ARG 11 3.829 13.872 6.869 58 HG3 ARG 11 2HG ARG 11 4.398 14.258 5.236 59 HD2 ARG 11 1HD ARG 11 4.363 16.278 6.577 60 HD3 ARG 11 2HD ARG 11 3.158 16.344 5.282 61 HE ARG 11 HE ARG 11 2.385 15.553 8.086 62 HH11 ARG 11 1HH1 ARG 11 2.275 18.031 5.560 63 HH12 ARG 11 2HH1 ARG 11 0.644 18.535 5.900 64 HH21 ARG 11 1HH2 ARG 11 0.220 16.365 8.685 65 HH22 ARG 11 2HH2 ARG 11 -0.310 17.844 7.975 66 H TYR 12 H TYR 12 1.087 10.671 4.608 67 HA TYR 12 HA TYR 12 -1.759 11.515 4.434 68 HB2 TYR 12 1HB TYR 12 -0.395 9.594 2.575 69 HB3 TYR 12 2HB TYR 12 -1.811 10.584 2.311 70 HD1 TYR 12 2HD TYR 12 -0.315 13.336 3.178 71 HD2 TYR 12 1HD TYR 12 0.661 9.978 0.668 72 HE1 TYR 12 2HE TYR 12 1.161 14.786 1.882 73 HE2 TYR 12 1HE TYR 12 1.854 11.444 -0.879 74 HH TYR 12 HH TYR 12 3.113 14.462 -0.150 75 H PHE 13 H PHE 13 0.402 8.665 4.720 76 HA PHE 13 HA PHE 13 -1.898 6.883 5.135 77 HB2 PHE 13 1HB PHE 13 1.101 6.370 5.245 78 HB3 PHE 13 2HB PHE 13 -0.145 5.131 5.424 79 HD1 PHE 13 1HD PHE 13 -1.789 4.779 3.446 80 HD2 PHE 13 2HD PHE 13 1.922 6.898 3.088 81 HE1 PHE 13 1HE PHE 13 -1.753 4.315 1.000 82 HE2 PHE 13 2HE PHE 13 1.927 6.511 0.645 83 HZ PHE 13 HZ PHE 13 0.092 5.211 -0.409 84 H GLU 14 H GLU 14 -2.061 5.526 7.146 85 HA GLU 14 HA GLU 14 -0.649 6.695 9.499 86 HB2 GLU 14 1HB GLU 14 -2.948 7.736 8.930 87 HB3 GLU 14 2HB GLU 14 -3.662 6.262 9.582 88 HG2 GLU 14 1HG GLU 14 -2.836 6.755 11.771 89 HG3 GLU 14 2HG GLU 14 -1.612 7.881 11.128 90 H GLN 15 H GLN 15 -0.979 5.439 11.447 91 HA GLN 15 HA GLN 15 -0.134 2.735 10.997 92 HB2 GLN 15 1HB GLN 15 0.571 3.974 12.932 93 HB3 GLN 15 2HB GLN 15 -1.097 4.153 13.507 94 HG2 GLN 15 1HG GLN 15 -1.205 1.929 14.292 95 HG3 GLN 15 2HG GLN 15 0.041 1.389 13.183 96 HE21 GLN 15 1HE2 GLN 15 -0.472 2.494 16.483 97 HE22 GLN 15 2HE2 GLN 15 1.245 2.569 16.864 98 H LEU 16 H LEU 16 -3.335 3.890 11.340 99 HA LEU 16 HA LEU 16 -4.367 1.099 11.522 100 HB2 LEU 16 1HB LEU 16 -5.658 3.687 12.587 101 HB3 LEU 16 2HB LEU 16 -6.313 2.062 12.757 102 HG LEU 16 HG LEU 16 -3.798 3.086 14.093 103 HD11 LEU 16 1HD1 LEU 16 -6.547 2.400 15.211 104 HD12 LEU 16 2HD1 LEU 16 -5.882 4.034 14.993 105 HD13 LEU 16 3HD1 LEU 16 -5.128 2.903 16.155 106 HD21 LEU 16 3HD2 LEU 16 -5.193 0.383 14.180 107 HD22 LEU 16 1HD2 LEU 16 -3.988 0.929 15.360 108 HD23 LEU 16 2HD2 LEU 16 -3.535 0.743 13.654 109 H GLN 17 H GLN 17 -3.848 3.326 9.293 110 HA GLN 17 HA GLN 17 -6.500 3.934 8.304 111 HB2 GLN 17 1HB GLN 17 -3.964 4.847 7.705 112 HB3 GLN 17 2HB GLN 17 -4.281 3.746 6.356 113 HG2 GLN 17 1HG GLN 17 -6.458 5.012 5.999 114 HG3 GLN 17 2HG GLN 17 -5.891 6.182 7.207 115 HE21 GLN 17 1HE2 GLN 17 -5.912 7.839 5.477 116 HE22 GLN 17 2HE2 GLN 17 -4.657 7.829 4.256 117 H LYS 18 H LYS 18 -6.973 3.135 5.929 118 HA LYS 18 HA LYS 18 -6.264 0.281 5.575 119 HB2 LYS 18 1HB LYS 18 -8.919 1.664 5.207 120 HB3 LYS 18 2HB LYS 18 -8.499 0.298 4.177 121 HG2 LYS 18 1HG LYS 18 -8.667 -1.213 5.873 122 HG3 LYS 18 2HG LYS 18 -8.053 -0.113 7.094 123 HD2 LYS 18 1HD LYS 18 -10.369 -0.558 7.585 124 HD3 LYS 18 2HD LYS 18 -10.194 1.129 7.120 125 HE2 LYS 18 1HE LYS 18 -10.966 0.531 4.800 126 HE3 LYS 18 2HE LYS 18 -11.206 -1.136 5.333 127 HZ1 LYS 18 3HZ LYS 18 -13.266 -0.074 5.482 128 HZ2 LYS 18 1HZ LYS 18 -12.674 1.269 6.176 129 HZ3 LYS 18 2HZ LYS 18 -12.803 -0.135 7.039 130 H VAL 19 H VAL 19 -5.714 -0.312 3.491 131 HA VAL 19 HA VAL 19 -5.482 1.810 1.418 132 HB VAL 19 HB VAL 19 -3.195 1.087 0.928 133 HG11 VAL 19 1HG1 VAL 19 -3.615 2.434 3.643 134 HG12 VAL 19 2HG1 VAL 19 -2.120 2.481 2.678 135 HG13 VAL 19 3HG1 VAL 19 -3.611 3.216 2.071 136 HG21 VAL 19 3HG2 VAL 19 -1.810 -0.014 2.581 137 HG22 VAL 19 1HG2 VAL 19 -3.132 -0.043 3.774 138 HG23 VAL 19 2HG2 VAL 19 -3.224 -1.038 2.314 139 H ASN 20 H ASN 20 -5.179 0.999 -0.673 140 HA ASN 20 HA ASN 20 -6.363 -1.638 -1.207 141 HB2 ASN 20 1HB ASN 20 -6.375 1.061 -2.364 142 HB3 ASN 20 2HB ASN 20 -5.709 -0.008 -3.531 143 HD21 ASN 20 1HD2 ASN 20 -7.216 -2.380 -3.542 144 HD22 ASN 20 2HD2 ASN 20 -8.890 -1.980 -3.552 145 H LEU 21 H LEU 21 -5.204 -3.272 -2.396 146 HA LEU 21 HA LEU 21 -2.252 -2.890 -2.474 147 HB2 LEU 21 1HB LEU 21 -3.762 -5.363 -1.611 148 HB3 LEU 21 2HB LEU 21 -2.033 -5.020 -1.464 149 HG LEU 21 HG LEU 21 -4.290 -3.726 0.073 150 HD11 LEU 21 1HD1 LEU 21 -4.058 -6.042 0.686 151 HD12 LEU 21 2HD1 LEU 21 -3.218 -5.120 1.937 152 HD13 LEU 21 3HD1 LEU 21 -2.281 -5.943 0.698 153 HD21 LEU 21 3HD2 LEU 21 -2.385 -2.939 1.561 154 HD22 LEU 21 1HD2 LEU 21 -2.322 -2.203 -0.054 155 HD23 LEU 21 2HD2 LEU 21 -1.232 -3.543 0.366 156 H THR 22 H THR 22 -2.777 -2.587 -4.947 157 HA THR 22 HA THR 22 -3.416 -4.889 -6.515 158 HB THR 22 HB THR 22 -1.350 -2.845 -7.386 159 HG1 THR 22 1HG THR 22 -2.922 -1.528 -6.523 160 HG21 THR 22 3HG2 THR 22 -3.693 -4.186 -8.810 161 HG22 THR 22 1HG2 THR 22 -1.982 -4.650 -8.951 162 HG23 THR 22 2HG2 THR 22 -2.519 -3.081 -9.554 163 H VAL 23 H VAL 23 -2.216 -6.736 -6.866 164 HA VAL 23 HA VAL 23 0.776 -6.474 -6.754 165 HB VAL 23 HB VAL 23 -0.667 -9.091 -6.228 166 HG11 VAL 23 1HG1 VAL 23 2.184 -8.076 -5.930 167 HG12 VAL 23 2HG1 VAL 23 1.643 -9.592 -5.214 168 HG13 VAL 23 3HG1 VAL 23 1.586 -9.392 -6.973 169 HG21 VAL 23 3HG2 VAL 23 0.650 -8.120 -3.813 170 HG22 VAL 23 1HG2 VAL 23 -0.753 -7.130 -4.268 171 HG23 VAL 23 2HG2 VAL 23 -0.892 -8.908 -4.055 172 H ARG 24 H ARG 24 1.610 -6.702 -8.929 173 HA ARG 24 HA ARG 24 -0.082 -7.720 -10.979 174 HB2 ARG 24 1HB ARG 24 1.515 -7.220 -12.446 175 HB3 ARG 24 2HB ARG 24 2.091 -6.228 -11.122 176 HG2 ARG 24 1HG ARG 24 3.610 -8.180 -10.508 177 HG3 ARG 24 2HG ARG 24 3.147 -8.952 -12.019 178 HD2 ARG 24 1HD ARG 24 4.171 -7.268 -13.337 179 HD3 ARG 24 2HD ARG 24 4.202 -6.121 -12.009 180 HE ARG 24 HE ARG 24 6.264 -6.674 -11.738 181 HH11 ARG 24 1HH1 ARG 24 4.801 -9.820 -12.537 182 HH12 ARG 24 2HH1 ARG 24 6.355 -10.619 -12.607 183 HH21 ARG 24 1HH2 ARG 24 8.264 -7.791 -11.961 184 HH22 ARG 24 2HH2 ARG 24 8.241 -9.490 -12.365 185 H LEU 25 H LEU 25 -0.438 -9.761 -11.763 186 HA LEU 25 HA LEU 25 1.405 -11.944 -11.017 187 HB2 LEU 25 1HB LEU 25 -1.631 -12.048 -10.938 188 HB3 LEU 25 2HB LEU 25 -0.567 -13.433 -10.782 189 HG LEU 25 HG LEU 25 -0.741 -11.123 -8.790 190 HD11 LEU 25 1HD1 LEU 25 -1.933 -13.925 -8.737 191 HD12 LEU 25 2HD1 LEU 25 -2.818 -12.395 -8.908 192 HD13 LEU 25 3HD1 LEU 25 -1.973 -12.755 -7.397 193 HD21 LEU 25 3HD2 LEU 25 0.735 -13.786 -8.714 194 HD22 LEU 25 1HD2 LEU 25 0.426 -12.777 -7.295 195 HD23 LEU 25 2HD2 LEU 25 1.456 -12.168 -8.601 196 H GLY 26 H GLY 26 2.253 -11.984 -13.130 197 HA2 GLY 26 1HA GLY 26 2.243 -12.521 -15.399 198 HA3 GLY 26 2HA GLY 26 0.575 -13.066 -15.210 199 H ASP 27 H ASP 27 1.646 -9.831 -14.384 200 HA ASP 27 HA ASP 27 1.083 -7.757 -14.958 201 HB2 ASP 27 1HB ASP 27 1.704 -8.982 -17.662 202 HB3 ASP 27 2HB ASP 27 1.490 -7.258 -17.397 203 H THR 28 H THR 28 -1.238 -9.881 -15.314 204 HA THR 28 HA THR 28 -3.293 -7.976 -16.227 205 HB THR 28 HB THR 28 -4.229 -9.856 -17.716 206 HG1 THR 28 1HG THR 28 -1.533 -10.745 -17.418 207 HG21 THR 28 3HG2 THR 28 -1.655 -8.611 -18.741 208 HG22 THR 28 1HG2 THR 28 -3.218 -7.784 -18.657 209 HG23 THR 28 2HG2 THR 28 -3.035 -9.206 -19.688 210 H GLY 29 H GLY 29 -2.399 -11.192 -14.927 211 HA2 GLY 29 1HA GLY 29 -4.908 -11.953 -13.872 212 HA3 GLY 29 2HA GLY 29 -3.273 -12.590 -13.496 213 H SER 30 H SER 30 -3.382 -9.296 -12.953 214 HA SER 30 HA SER 30 -2.189 -9.660 -10.553 215 HB2 SER 30 1HB SER 30 -3.629 -7.167 -11.397 216 HB3 SER 30 2HB SER 30 -2.141 -7.237 -10.492 217 HG SER 30 HG SER 30 -1.572 -6.850 -12.643 218 H PHE 31 H PHE 31 -2.699 -9.209 -8.469 219 HA PHE 31 HA PHE 31 -5.475 -9.964 -7.695 220 HB2 PHE 31 1HB PHE 31 -3.825 -11.390 -6.700 221 HB3 PHE 31 2HB PHE 31 -2.805 -10.041 -6.225 222 HD1 PHE 31 1HD PHE 31 -6.010 -11.834 -5.526 223 HD2 PHE 31 2HD PHE 31 -3.284 -8.756 -4.219 224 HE1 PHE 31 1HE PHE 31 -7.232 -11.657 -3.372 225 HE2 PHE 31 2HE PHE 31 -4.519 -8.602 -2.065 226 HZ PHE 31 HZ PHE 31 -6.458 -10.044 -1.645 227 H ASP 32 H ASP 32 -6.521 -8.583 -6.108 228 HA ASP 32 HA ASP 32 -5.092 -6.265 -5.152 229 HB2 ASP 32 1HB ASP 32 -6.228 -5.020 -6.845 230 HB3 ASP 32 2HB ASP 32 -7.728 -5.946 -6.630 231 H GLY 33 H GLY 33 -5.679 -5.923 -3.014 232 HA2 GLY 33 1HA GLY 33 -8.264 -6.865 -2.082 233 HA3 GLY 33 2HA GLY 33 -6.867 -7.557 -1.230 234 H THR 34 H THR 34 -8.469 -6.003 0.262 235 HA THR 34 HA THR 34 -7.120 -3.365 0.489 236 HB THR 34 HB THR 34 -9.383 -4.187 2.301 237 HG1 THR 34 1HG THR 34 -10.161 -4.944 0.356 238 HG21 THR 34 3HG2 THR 34 -8.807 -1.639 0.742 239 HG22 THR 34 1HG2 THR 34 -8.347 -1.943 2.433 240 HG23 THR 34 2HG2 THR 34 -10.054 -1.867 1.985 241 H ALA 35 H ALA 35 -6.354 -2.815 2.806 242 HA ALA 35 HA ALA 35 -6.496 -5.013 4.678 243 HB1 ALA 35 1HB ALA 35 -4.060 -4.812 5.336 244 HB2 ALA 35 2HB ALA 35 -4.272 -5.508 3.739 245 HB3 ALA 35 3HB ALA 35 -3.799 -3.803 3.891 246 H ALA 36 H ALA 36 -5.948 -4.361 6.851 247 HA ALA 36 HA ALA 36 -6.172 -1.449 7.361 248 HB1 ALA 36 1HB ALA 36 -6.067 -3.890 9.212 249 HB2 ALA 36 2HB ALA 36 -6.123 -2.209 9.752 250 HB3 ALA 36 3HB ALA 36 -7.505 -2.896 8.874 251 H ILE 37 H ILE 37 -4.404 -0.399 8.228 252 HA ILE 37 HA ILE 37 -1.748 -1.651 8.044 253 HB ILE 37 HB ILE 37 -2.614 1.173 8.856 254 HG12 ILE 37 1HG1 ILE 37 -1.411 0.103 6.256 255 HG13 ILE 37 2HG1 ILE 37 -3.095 0.550 6.443 256 HG21 ILE 37 1HG2 ILE 37 0.185 0.139 8.210 257 HG22 ILE 37 2HG2 ILE 37 -0.268 1.825 8.571 258 HG23 ILE 37 3HG2 ILE 37 -0.401 0.632 9.814 259 HD11 ILE 37 3HD1 ILE 37 -0.752 2.473 6.521 260 HD12 ILE 37 1HD1 ILE 37 -2.003 2.299 5.272 261 HD13 ILE 37 2HD1 ILE 37 -2.442 2.878 6.863 262 H THR 38 H THR 38 -0.447 -1.715 9.846 263 HA THR 38 HA THR 38 -1.745 -1.895 12.506 264 HB THR 38 HB THR 38 -0.805 -4.003 12.966 265 HG1 THR 38 1HG THR 38 0.511 -5.083 11.338 266 HG21 THR 38 3HG2 THR 38 -2.713 -4.009 11.245 267 HG22 THR 38 1HG2 THR 38 -1.738 -5.467 11.338 268 HG23 THR 38 2HG2 THR 38 -1.482 -4.316 10.016 269 H SER 39 H SER 39 1.210 -1.226 10.685 270 HA SER 39 HA SER 39 2.032 0.666 12.730 271 HB2 SER 39 1HB SER 39 3.934 -1.537 11.844 272 HB3 SER 39 2HB SER 39 4.330 -0.165 12.906 273 HG SER 39 HG SER 39 2.630 -1.044 14.323 274 H LEU 40 H LEU 40 3.607 2.261 11.782 275 HA LEU 40 HA LEU 40 4.211 2.014 8.920 276 HB2 LEU 40 1HB LEU 40 1.988 3.068 8.913 277 HB3 LEU 40 2HB LEU 40 2.529 4.243 10.113 278 HG LEU 40 HG LEU 40 4.231 5.105 8.427 279 HD11 LEU 40 1HD1 LEU 40 4.325 3.110 6.916 280 HD12 LEU 40 2HD1 LEU 40 3.899 4.585 6.046 281 HD13 LEU 40 3HD1 LEU 40 2.636 3.416 6.450 282 HD21 LEU 40 3HD2 LEU 40 2.503 6.294 7.088 283 HD22 LEU 40 1HD2 LEU 40 2.150 6.286 8.822 284 HD23 LEU 40 2HD2 LEU 40 1.271 5.193 7.730 285 H LYS 41 H LYS 41 6.388 2.466 8.878 286 HA LYS 41 HA LYS 41 7.485 4.459 10.743 287 HB2 LYS 41 1HB LYS 41 7.688 2.079 11.653 288 HB3 LYS 41 2HB LYS 41 8.783 1.752 10.293 289 HG2 LYS 41 1HG LYS 41 10.171 3.747 11.040 290 HG3 LYS 41 2HG LYS 41 9.053 3.937 12.400 291 HD2 LYS 41 1HD LYS 41 10.778 2.774 13.377 292 HD3 LYS 41 2HD LYS 41 9.659 1.468 12.976 293 HE2 LYS 41 1HE LYS 41 10.961 0.866 10.999 294 HE3 LYS 41 2HE LYS 41 11.933 2.331 11.159 295 HZ1 LYS 41 3HZ LYS 41 12.001 0.040 13.009 296 HZ2 LYS 41 1HZ LYS 41 12.744 1.489 13.263 297 HZ3 LYS 41 2HZ LYS 41 13.202 0.576 11.991 298 H GLY 42 H GLY 42 7.838 5.927 9.149 299 HA2 GLY 42 1HA GLY 42 8.471 6.836 7.181 300 HA3 GLY 42 2HA GLY 42 9.921 5.809 7.303 301 H SER 43 H SER 43 10.210 4.832 5.351 302 HA SER 43 HA SER 43 8.071 4.048 3.515 303 HB2 SER 43 1HB SER 43 10.034 3.207 2.198 304 HB3 SER 43 2HB SER 43 10.152 4.898 2.604 305 HG SER 43 HG SER 43 11.365 2.996 4.265 306 H LEU 44 H LEU 44 7.623 2.869 5.922 307 HA LEU 44 HA LEU 44 7.636 0.138 5.019 308 HB2 LEU 44 1HB LEU 44 9.795 0.300 6.369 309 HB3 LEU 44 2HB LEU 44 8.781 0.398 7.798 310 HG LEU 44 HG LEU 44 7.530 -1.720 6.760 311 HD11 LEU 44 1HD1 LEU 44 8.725 -1.709 4.579 312 HD12 LEU 44 2HD1 LEU 44 9.030 -3.200 5.484 313 HD13 LEU 44 3HD1 LEU 44 10.259 -1.917 5.423 314 HD21 LEU 44 3HD2 LEU 44 10.306 -2.017 7.889 315 HD22 LEU 44 1HD2 LEU 44 9.029 -3.249 7.882 316 HD23 LEU 44 2HD2 LEU 44 8.800 -1.763 8.834 317 H ALA 45 H ALA 45 5.526 -0.311 5.166 318 HA ALA 45 HA ALA 45 4.155 0.295 7.741 319 HB1 ALA 45 1HB ALA 45 2.693 -0.371 5.174 320 HB2 ALA 45 2HB ALA 45 2.020 0.165 6.715 321 HB3 ALA 45 3HB ALA 45 2.966 1.295 5.739 322 H TRP 46 H TRP 46 2.698 -1.416 8.397 323 HA TRP 46 HA TRP 46 3.202 -4.098 7.285 324 HB2 TRP 46 1HB TRP 46 3.396 -3.290 10.193 325 HB3 TRP 46 2HB TRP 46 2.732 -4.851 9.761 326 HD1 TRP 46 HD TRP 46 6.037 -2.900 9.243 327 HE1 TRP 46 1HE TRP 46 7.943 -4.585 9.113 328 HE3 TRP 46 3HE TRP 46 3.276 -7.206 9.070 329 HZ2 TRP 46 2HZ TRP 46 8.226 -7.443 8.587 330 HZ3 TRP 46 3HZ TRP 46 4.366 -9.355 8.551 331 HH2 TRP 46 HH TRP 46 6.851 -9.478 8.283 332 H LEU 47 H LEU 47 1.399 -5.402 7.287 333 HA LEU 47 HA LEU 47 -1.210 -4.013 7.518 334 HB2 LEU 47 1HB LEU 47 -0.018 -5.670 5.259 335 HB3 LEU 47 2HB LEU 47 -1.645 -5.020 5.273 336 HG LEU 47 HG LEU 47 0.832 -3.249 5.324 337 HD11 LEU 47 1HD1 LEU 47 -0.811 -4.281 3.003 338 HD12 LEU 47 2HD1 LEU 47 0.934 -4.495 3.308 339 HD13 LEU 47 3HD1 LEU 47 0.292 -2.890 2.912 340 HD21 LEU 47 3HD2 LEU 47 -0.704 -1.502 4.575 341 HD22 LEU 47 1HD2 LEU 47 -1.260 -2.193 6.112 342 HD23 LEU 47 2HD2 LEU 47 -2.065 -2.638 4.605 343 H GLU 48 H GLU 48 -2.996 -5.641 7.141 344 HA GLU 48 HA GLU 48 -2.377 -8.422 7.865 345 HB2 GLU 48 1HB GLU 48 -3.743 -8.440 9.819 346 HB3 GLU 48 2HB GLU 48 -2.449 -7.280 9.977 347 HG2 GLU 48 1HG GLU 48 -4.002 -5.471 9.411 348 HG3 GLU 48 2HG GLU 48 -5.358 -6.618 9.345 349 H LEU 49 H LEU 49 -3.478 -7.343 5.446 350 HA LEU 49 HA LEU 49 -5.235 -7.310 4.054 351 HB2 LEU 49 1HB LEU 49 -5.051 -10.016 5.211 352 HB3 LEU 49 2HB LEU 49 -6.559 -9.726 4.433 353 HG LEU 49 HG LEU 49 -3.802 -9.523 3.200 354 HD11 LEU 49 1HD1 LEU 49 -6.244 -11.213 2.512 355 HD12 LEU 49 2HD1 LEU 49 -4.894 -11.792 3.495 356 HD13 LEU 49 3HD1 LEU 49 -4.600 -11.362 1.815 357 HD21 LEU 49 3HD2 LEU 49 -5.154 -9.193 0.995 358 HD22 LEU 49 1HD2 LEU 49 -4.985 -7.777 2.029 359 HD23 LEU 49 2HD2 LEU 49 -6.503 -8.703 2.025 360 H PHE 50 H PHE 50 -7.738 -8.136 3.859 361 HA PHE 50 HA PHE 50 -9.261 -7.049 6.131 362 HB2 PHE 50 1HB PHE 50 -8.882 -5.725 3.671 363 HB3 PHE 50 2HB PHE 50 -10.433 -6.513 3.476 364 HD1 PHE 50 2HD PHE 50 -8.474 -4.571 5.990 365 HD2 PHE 50 1HD PHE 50 -12.319 -5.254 4.193 366 HE1 PHE 50 2HE PHE 50 -9.429 -2.767 7.381 367 HE2 PHE 50 1HE PHE 50 -13.312 -3.515 5.640 368 HZ PHE 50 HZ PHE 50 -11.911 -2.348 7.338 369 H GLY 51 H GLY 51 -10.655 -8.626 6.761 370 HA2 GLY 51 1HA GLY 51 -12.156 -10.337 6.641 371 HA3 GLY 51 2HA GLY 51 -12.556 -9.686 5.049 372 H ALA 52 H ALA 52 -12.754 -11.336 3.790 373 HA ALA 52 HA ALA 52 -10.879 -13.645 3.932 374 HB1 ALA 52 1HB ALA 52 -13.691 -13.491 2.822 375 HB2 ALA 52 2HB ALA 52 -12.725 -14.947 3.194 376 HB3 ALA 52 3HB ALA 52 -13.321 -13.926 4.512 377 H GLU 53 H GLU 53 -11.075 -10.955 2.116 378 HA GLU 53 HA GLU 53 -10.995 -12.099 -0.596 379 HB2 GLU 53 1HB GLU 53 -10.551 -9.677 -1.238 380 HB3 GLU 53 2HB GLU 53 -12.100 -10.003 -0.465 381 HG2 GLU 53 1HG GLU 53 -11.340 -9.200 1.659 382 HG3 GLU 53 2HG GLU 53 -9.687 -8.998 1.100 383 H GLN 54 H GLN 54 -9.226 -13.453 0.655 384 HA GLN 54 HA GLN 54 -6.575 -12.123 0.509 385 HB2 GLN 54 1HB GLN 54 -5.639 -13.980 1.654 386 HB3 GLN 54 2HB GLN 54 -7.105 -13.523 2.484 387 HG2 GLN 54 1HG GLN 54 -8.290 -15.446 1.501 388 HG3 GLN 54 2HG GLN 54 -6.860 -15.868 0.553 389 HE21 GLN 54 1HE2 GLN 54 -4.764 -16.274 1.885 390 HE22 GLN 54 2HE2 GLN 54 -4.993 -17.164 3.376 391 HA PRO 55 HA PRO 55 -5.593 -13.691 -3.459 392 HB2 PRO 55 1HB PRO 55 -2.840 -14.200 -3.290 393 HB3 PRO 55 2HB PRO 55 -3.583 -12.594 -3.467 394 HG2 PRO 55 1HG PRO 55 -2.562 -13.958 -0.985 395 HG3 PRO 55 2HG PRO 55 -2.423 -12.241 -1.466 396 HD2 PRO 55 1HD PRO 55 -4.243 -13.160 0.337 397 HD3 PRO 55 2HD PRO 55 -4.570 -11.750 -0.705 398 HA PRO 56 HA PRO 56 -5.046 -18.206 -3.534 399 HB2 PRO 56 1HB PRO 56 -3.078 -18.541 -5.511 400 HB3 PRO 56 2HB PRO 56 -4.837 -18.353 -5.811 401 HG2 PRO 56 1HG PRO 56 -2.651 -16.276 -5.902 402 HG3 PRO 56 2HG PRO 56 -3.989 -16.518 -7.065 403 HD2 PRO 56 1HD PRO 56 -4.049 -14.599 -5.152 404 HD3 PRO 56 2HD PRO 56 -5.524 -15.463 -5.614 405 HA PRO 57 HA PRO 57 -1.437 -18.716 -0.911 406 HB2 PRO 57 1HB PRO 57 -0.897 -21.395 -1.141 407 HB3 PRO 57 2HB PRO 57 -2.374 -20.796 -0.333 408 HG2 PRO 57 1HG PRO 57 -2.090 -21.699 -3.219 409 HG3 PRO 57 2HG PRO 57 -3.293 -22.241 -2.013 410 HD2 PRO 57 1HD PRO 57 -3.872 -20.286 -3.790 411 HD3 PRO 57 2HD PRO 57 -4.443 -20.158 -2.097 412 H ASN 58 H ASN 58 0.889 -19.640 -1.077 413 HA ASN 58 HA ASN 58 2.920 -19.575 -2.001 414 HB2 ASN 58 1HB ASN 58 3.377 -21.184 -3.659 415 HB3 ASN 58 2HB ASN 58 2.010 -21.784 -2.736 416 HD21 ASN 58 1HD2 ASN 58 -0.039 -21.886 -3.784 417 HD22 ASN 58 2HD2 ASN 58 -0.257 -21.645 -5.489 418 H THR 59 H THR 59 0.860 -17.468 -3.325 419 HA THR 59 HA THR 59 2.405 -16.852 -5.729 420 HB THR 59 HB THR 59 -0.402 -16.182 -4.781 421 HG1 THR 59 1HG THR 59 -0.230 -18.323 -5.275 422 HG21 THR 59 3HG2 THR 59 0.936 -15.503 -7.350 423 HG22 THR 59 1HG2 THR 59 -0.079 -14.522 -6.248 424 HG23 THR 59 2HG2 THR 59 -0.826 -15.786 -7.236 425 H LEU 60 H LEU 60 1.543 -15.317 -2.631 426 HA LEU 60 HA LEU 60 2.661 -12.720 -3.313 427 HB2 LEU 60 1HB LEU 60 1.747 -14.097 -0.800 428 HB3 LEU 60 2HB LEU 60 2.845 -12.737 -0.653 429 HG LEU 60 HG LEU 60 0.268 -12.573 -2.240 430 HD11 LEU 60 1HD1 LEU 60 -0.307 -13.016 0.092 431 HD12 LEU 60 2HD1 LEU 60 -0.651 -11.329 -0.315 432 HD13 LEU 60 3HD1 LEU 60 0.778 -11.725 0.640 433 HD21 LEU 60 3HD2 LEU 60 0.558 -10.120 -1.923 434 HD22 LEU 60 1HD2 LEU 60 1.896 -10.797 -2.844 435 HD23 LEU 60 2HD2 LEU 60 2.111 -10.401 -1.120 436 H SER 61 H SER 61 4.779 -12.021 -3.095 437 HA SER 61 HA SER 61 6.800 -13.815 -1.878 438 HB2 SER 61 1HB SER 61 7.468 -12.280 -4.348 439 HB3 SER 61 2HB SER 61 8.127 -13.796 -3.771 440 HG SER 61 HG SER 61 5.987 -14.668 -4.436 441 H GLU 62 H GLU 62 8.789 -12.595 -1.274 442 HA GLU 62 HA GLU 62 7.994 -10.250 0.022 443 HB2 GLU 62 1HB GLU 62 10.835 -11.259 -0.160 444 HB3 GLU 62 2HB GLU 62 10.106 -10.222 1.066 445 HG2 GLU 62 1HG GLU 62 8.469 -12.216 1.445 446 HG3 GLU 62 2HG GLU 62 9.665 -13.186 0.591 447 H GLY 63 H GLY 63 8.790 -10.254 -3.147 448 HA2 GLY 63 1HA GLY 63 9.831 -7.472 -3.147 449 HA3 GLY 63 2HA GLY 63 10.576 -8.724 -4.155 450 H ALA 64 H ALA 64 7.099 -8.984 -3.584 451 HA ALA 64 HA ALA 64 6.500 -8.697 -6.405 452 HB1 ALA 64 1HB ALA 64 5.232 -10.150 -4.759 453 HB2 ALA 64 2HB ALA 64 4.609 -8.666 -4.009 454 HB3 ALA 64 3HB ALA 64 4.211 -9.045 -5.676 455 H GLU 65 H GLU 65 5.458 -6.829 -7.417 456 HA GLU 65 HA GLU 65 6.476 -4.412 -6.053 457 HB2 GLU 65 1HB GLU 65 6.685 -3.452 -8.197 458 HB3 GLU 65 2HB GLU 65 7.633 -4.921 -8.061 459 HG2 GLU 65 1HG GLU 65 6.231 -6.134 -9.520 460 HG3 GLU 65 2HG GLU 65 4.893 -5.002 -9.404 461 H VAL 66 H VAL 66 4.546 -4.645 -4.828 462 HA VAL 66 HA VAL 66 1.977 -4.210 -5.876 463 HB VAL 66 HB VAL 66 1.395 -3.929 -3.422 464 HG11 VAL 66 1HG1 VAL 66 3.177 -6.324 -4.079 465 HG12 VAL 66 2HG1 VAL 66 1.895 -6.240 -2.849 466 HG13 VAL 66 3HG1 VAL 66 1.498 -6.117 -4.578 467 HG21 VAL 66 3HG2 VAL 66 3.063 -4.238 -1.743 468 HG22 VAL 66 1HG2 VAL 66 4.338 -4.575 -2.921 469 HG23 VAL 66 2HG2 VAL 66 3.659 -2.945 -2.817 470 H SER 67 H SER 67 0.471 -2.377 -5.339 471 HA SER 67 HA SER 67 1.823 0.252 -5.228 472 HB2 SER 67 1HB SER 67 -0.989 0.119 -6.116 473 HB3 SER 67 2HB SER 67 0.363 1.068 -6.673 474 HG SER 67 HG SER 67 1.109 -0.841 -7.796 475 H VAL 68 H VAL 68 0.380 1.967 -4.145 476 HA VAL 68 HA VAL 68 -1.546 0.917 -2.223 477 HB VAL 68 HB VAL 68 -0.653 2.960 -0.762 478 HG11 VAL 68 1HG1 VAL 68 0.392 0.116 -0.576 479 HG12 VAL 68 2HG1 VAL 68 0.438 1.337 0.721 480 HG13 VAL 68 3HG1 VAL 68 -1.114 0.763 0.110 481 HG21 VAL 68 3HG2 VAL 68 1.967 1.783 -1.804 482 HG22 VAL 68 1HG2 VAL 68 1.305 3.359 -2.299 483 HG23 VAL 68 2HG2 VAL 68 1.724 3.090 -0.607 484 H SER 69 H SER 69 -3.439 1.858 -2.462 485 HA SER 69 HA SER 69 -3.337 4.716 -3.020 486 HB2 SER 69 1HB SER 69 -5.619 4.446 -4.177 487 HB3 SER 69 2HB SER 69 -4.186 3.928 -5.090 488 HG SER 69 HG SER 69 -4.683 1.799 -4.582 489 H VAL 70 H VAL 70 -4.479 5.959 -1.711 490 HA VAL 70 HA VAL 70 -6.893 5.005 -0.446 491 HB VAL 70 HB VAL 70 -5.286 4.419 1.253 492 HG11 VAL 70 1HG1 VAL 70 -3.746 6.108 2.267 493 HG12 VAL 70 2HG1 VAL 70 -3.369 5.833 0.567 494 HG13 VAL 70 3HG1 VAL 70 -4.267 7.284 1.038 495 HG21 VAL 70 3HG2 VAL 70 -6.049 5.531 3.135 496 HG22 VAL 70 1HG2 VAL 70 -6.337 7.053 2.262 497 HG23 VAL 70 2HG2 VAL 70 -7.406 5.643 1.993 498 H TRP 71 H TRP 71 -8.219 6.825 -0.029 499 HA TRP 71 HA TRP 71 -7.449 9.449 -1.215 500 HB2 TRP 71 1HB TRP 71 -10.089 8.272 -0.266 501 HB3 TRP 71 2HB TRP 71 -9.868 9.953 -0.694 502 HD1 TRP 71 HD TRP 71 -9.958 6.459 -2.262 503 HE1 TRP 71 1HE TRP 71 -10.320 6.578 -4.735 504 HE3 TRP 71 3HE TRP 71 -9.762 11.551 -2.846 505 HZ2 TRP 71 2HZ TRP 71 -9.770 8.629 -6.827 506 HZ3 TRP 71 3HZ TRP 71 -9.929 12.562 -5.100 507 HH2 TRP 71 HH TRP 71 -9.873 11.129 -7.102 508 H THR 72 H THR 72 -7.303 11.219 0.265 509 HA THR 72 HA THR 72 -8.240 10.792 2.973 510 HB THR 72 HB THR 72 -5.939 10.093 3.137 511 HG1 THR 72 1HG THR 72 -6.705 11.058 4.874 512 HG21 THR 72 3HG2 THR 72 -5.159 12.836 2.078 513 HG22 THR 72 1HG2 THR 72 -4.818 11.251 1.331 514 HG23 THR 72 2HG2 THR 72 -4.042 11.674 2.841 515 H GLY 73 H GLY 73 -8.089 13.140 4.058 516 HA2 GLY 73 1HA GLY 73 -9.032 15.214 4.072 517 HA3 GLY 73 2HA GLY 73 -7.732 15.531 2.923 518 H GLY 74 H GLY 74 -8.194 15.881 0.828 519 HA2 GLY 74 1HA GLY 74 -10.901 15.449 -0.291 520 HA3 GLY 74 2HA GLY 74 -10.186 17.068 -0.360 521 H ALA 75 H ALA 75 -7.978 14.254 -0.613 522 HA ALA 75 HA ALA 75 -8.099 14.321 -3.520 523 HB1 ALA 75 1HB ALA 75 -6.576 16.241 -2.847 524 HB2 ALA 75 2HB ALA 75 -5.495 15.042 -2.113 525 HB3 ALA 75 3HB ALA 75 -5.793 15.023 -3.869 526 H LEU 76 H LEU 76 -6.228 12.960 -4.481 527 HA LEU 76 HA LEU 76 -6.344 10.375 -3.058 528 HB2 LEU 76 1HB LEU 76 -7.704 10.644 -5.084 529 HB3 LEU 76 2HB LEU 76 -6.288 10.964 -6.040 530 HG LEU 76 HG LEU 76 -7.360 8.574 -6.068 531 HD11 LEU 76 1HD1 LEU 76 -5.457 7.477 -6.526 532 HD12 LEU 76 2HD1 LEU 76 -4.444 8.762 -5.758 533 HD13 LEU 76 3HD1 LEU 76 -5.464 9.094 -7.200 534 HD21 LEU 76 3HD2 LEU 76 -6.002 8.332 -3.470 535 HD22 LEU 76 1HD2 LEU 76 -6.775 7.004 -4.408 536 HD23 LEU 76 2HD2 LEU 76 -7.688 8.342 -3.709 537 H CYS 77 H CYS 77 -4.574 9.453 -2.581 538 HA CYS 77 HA CYS 77 -1.947 10.540 -3.558 539 HB2 CYS 77 1HB CYS 77 -3.113 10.141 -0.818 540 HB3 CYS 77 2HB CYS 77 -1.481 9.592 -1.037 541 HG CYS 77 HG CYS 77 -1.584 12.116 -0.066 542 H ARG 78 H ARG 78 -1.786 8.986 -5.087 543 HA ARG 78 HA ARG 78 -1.738 6.142 -4.111 544 HB2 ARG 78 1HB ARG 78 -3.308 6.599 -5.949 545 HB3 ARG 78 2HB ARG 78 -1.995 7.166 -6.953 546 HG2 ARG 78 1HG ARG 78 -1.791 4.406 -5.764 547 HG3 ARG 78 2HG ARG 78 -2.901 4.618 -7.044 548 HD2 ARG 78 1HD ARG 78 0.107 5.115 -7.209 549 HD3 ARG 78 2HD ARG 78 -0.772 3.719 -7.807 550 HE ARG 78 HE ARG 78 -1.947 6.010 -8.995 551 HH11 ARG 78 1HH1 ARG 78 0.965 3.992 -9.282 552 HH12 ARG 78 2HH1 ARG 78 1.502 4.732 -10.727 553 HH21 ARG 78 1HH2 ARG 78 -1.304 6.919 -10.936 554 HH22 ARG 78 2HH2 ARG 78 0.208 6.445 -11.711 555 H CYS 79 H CYS 79 0.208 5.095 -3.895 556 HA CYS 79 HA CYS 79 2.516 6.161 -5.430 557 HB2 CYS 79 1HB CYS 79 2.435 6.923 -3.069 558 HB3 CYS 79 2HB CYS 79 2.619 5.302 -2.489 559 HG CYS 79 HG CYS 79 4.982 4.824 -3.449 560 H ASP 80 H ASP 80 4.360 4.489 -5.233 561 HA ASP 80 HA ASP 80 3.343 1.747 -5.798 562 HB2 ASP 80 1HB ASP 80 5.581 3.438 -6.985 563 HB3 ASP 80 2HB ASP 80 5.645 1.670 -7.023 564 H GLY 81 H GLY 81 4.798 0.013 -5.030 565 HA2 GLY 81 1HA GLY 81 7.042 0.645 -3.309 566 HA3 GLY 81 2HA GLY 81 5.586 0.118 -2.489 567 H ARG 82 H ARG 82 7.145 -1.727 -1.921 568 HA ARG 82 HA ARG 82 6.667 -3.991 -3.661 569 HB2 ARG 82 1HB ARG 82 9.518 -3.485 -2.760 570 HB3 ARG 82 2HB ARG 82 8.892 -4.956 -3.513 571 HG2 ARG 82 1HG ARG 82 8.098 -3.272 -5.402 572 HG3 ARG 82 2HG ARG 82 9.358 -2.229 -4.749 573 HD2 ARG 82 1HD ARG 82 9.736 -5.133 -5.605 574 HD3 ARG 82 2HD ARG 82 9.788 -3.757 -6.714 575 HE ARG 82 HE ARG 82 11.593 -3.060 -4.765 576 HH11 ARG 82 1HH1 ARG 82 11.232 -6.029 -6.643 577 HH12 ARG 82 2HH1 ARG 82 12.917 -6.213 -7.003 578 HH21 ARG 82 1HH2 ARG 82 13.883 -3.249 -5.272 579 HH22 ARG 82 2HH2 ARG 82 14.406 -4.541 -6.309 580 H VAL 83 H VAL 83 6.942 -6.039 -2.379 581 HA VAL 83 HA VAL 83 5.678 -5.784 0.086 582 HB VAL 83 HB VAL 83 6.895 -8.056 -1.435 583 HG11 VAL 83 1HG1 VAL 83 6.793 -8.768 0.977 584 HG12 VAL 83 2HG1 VAL 83 5.046 -8.393 0.936 585 HG13 VAL 83 3HG1 VAL 83 5.701 -9.668 -0.084 586 HG21 VAL 83 3HG2 VAL 83 4.891 -6.936 -2.377 587 HG22 VAL 83 1HG2 VAL 83 4.470 -8.550 -1.794 588 HG23 VAL 83 2HG2 VAL 83 4.043 -7.135 -0.824 589 H GLU 84 H GLU 84 9.148 -6.076 -0.259 590 HA GLU 84 HA GLU 84 10.822 -5.744 1.176 591 HB2 GLU 84 1HB GLU 84 9.174 -3.989 2.117 592 HB3 GLU 84 2HB GLU 84 9.030 -5.053 3.476 593 HG2 GLU 84 1HG GLU 84 11.737 -4.101 2.390 594 HG3 GLU 84 2HG GLU 84 10.808 -3.163 3.524 595 H THR 85 H THR 85 8.297 -7.278 3.207 596 HA THR 85 HA THR 85 9.973 -9.641 3.786 597 HB THR 85 HB THR 85 9.336 -7.578 5.942 598 HG1 THR 85 1HG THR 85 11.194 -6.974 5.349 599 HG21 THR 85 3HG2 THR 85 10.490 -10.374 6.258 600 HG22 THR 85 1HG2 THR 85 8.921 -9.794 6.904 601 HG23 THR 85 2HG2 THR 85 10.424 -9.139 7.535 602 H LEU 86 H LEU 86 8.302 -11.067 3.264 603 HA LEU 86 HA LEU 86 5.535 -10.423 4.014 604 HB2 LEU 86 1HB LEU 86 6.304 -11.478 1.781 605 HB3 LEU 86 2HB LEU 86 6.552 -12.959 2.704 606 HG LEU 86 HG LEU 86 3.980 -12.286 3.460 607 HD11 LEU 86 1HD1 LEU 86 4.218 -11.382 0.559 608 HD12 LEU 86 2HD1 LEU 86 4.069 -10.278 1.933 609 HD13 LEU 86 3HD1 LEU 86 2.763 -11.404 1.586 610 HD21 LEU 86 3HD2 LEU 86 3.152 -13.820 1.727 611 HD22 LEU 86 1HD2 LEU 86 4.535 -14.472 2.626 612 HD23 LEU 86 2HD2 LEU 86 4.769 -13.846 0.967 613 H ARG 87 H ARG 87 4.295 -11.868 5.389 614 HA ARG 87 HA ARG 87 5.947 -13.527 7.241 615 HB2 ARG 87 1HB ARG 87 5.557 -11.450 8.277 616 HB3 ARG 87 2HB ARG 87 3.859 -11.397 7.823 617 HG2 ARG 87 1HG ARG 87 3.164 -12.766 9.501 618 HG3 ARG 87 2HG ARG 87 4.643 -13.702 9.509 619 HD2 ARG 87 1HD ARG 87 5.306 -10.988 10.338 620 HD3 ARG 87 2HD ARG 87 3.874 -11.496 11.218 621 HE ARG 87 HE ARG 87 5.157 -12.859 12.468 622 HH11 ARG 87 1HH1 ARG 87 6.914 -12.385 9.405 623 HH12 ARG 87 2HH1 ARG 87 7.825 -13.828 9.642 624 HH21 ARG 87 1HH2 ARG 87 6.873 -14.473 12.901 625 HH22 ARG 87 2HH2 ARG 87 8.123 -14.654 11.708 626 H ASP 88 H ASP 88 2.528 -12.883 6.242 627 HA ASP 88 HA ASP 88 2.126 -15.843 6.137 628 HB2 ASP 88 1HB ASP 88 0.077 -13.791 7.058 629 HB3 ASP 88 2HB ASP 88 -0.117 -15.528 6.958 630 H ASP 89 H ASP 89 -0.259 -15.963 4.911 631 HA ASP 89 HA ASP 89 -0.051 -14.669 2.299 632 HB2 ASP 89 1HB ASP 89 -2.433 -16.054 3.592 633 HB3 ASP 89 2HB ASP 89 -2.323 -15.551 1.913 634 H ARG 90 H ARG 90 -0.923 -13.472 5.341 635 HA ARG 90 HA ARG 90 -2.776 -11.465 4.187 636 HB2 ARG 90 1HB ARG 90 -4.149 -11.631 6.238 637 HB3 ARG 90 2HB ARG 90 -4.221 -13.058 5.181 638 HG2 ARG 90 1HG ARG 90 -2.699 -14.287 6.735 639 HG3 ARG 90 2HG ARG 90 -2.692 -12.860 7.788 640 HD2 ARG 90 1HD ARG 90 -5.303 -13.093 7.705 641 HD3 ARG 90 2HD ARG 90 -4.989 -14.738 7.143 642 HE ARG 90 HE ARG 90 -3.559 -14.985 9.236 643 HH11 ARG 90 1HH1 ARG 90 -6.401 -12.778 9.337 644 HH12 ARG 90 2HH1 ARG 90 -6.095 -12.329 10.974 645 HH21 ARG 90 1HH2 ARG 90 -3.266 -14.437 11.309 646 HH22 ARG 90 2HH2 ARG 90 -4.248 -13.230 12.116 647 H GLN 91 H GLN 91 -0.505 -12.156 6.938 648 HA GLN 91 HA GLN 91 -0.418 -9.237 7.417 649 HB2 GLN 91 1HB GLN 91 1.110 -11.428 8.848 650 HB3 GLN 91 2HB GLN 91 0.951 -9.735 9.324 651 HG2 GLN 91 1HG GLN 91 -1.526 -10.142 9.643 652 HG3 GLN 91 2HG GLN 91 -1.240 -11.862 9.381 653 HE21 GLN 91 1HE2 GLN 91 0.673 -12.751 10.675 654 HE22 GLN 91 2HE2 GLN 91 0.777 -12.277 12.400 655 H PHE 92 H PHE 92 1.264 -8.057 6.529 656 HA PHE 92 HA PHE 92 3.891 -9.195 6.155 657 HB2 PHE 92 1HB PHE 92 3.803 -8.806 3.651 658 HB3 PHE 92 2HB PHE 92 3.064 -10.236 4.238 659 HD1 PHE 92 1HD PHE 92 2.396 -6.793 3.015 660 HD2 PHE 92 2HD PHE 92 0.822 -10.743 3.650 661 HE1 PHE 92 1HE PHE 92 0.542 -6.271 1.486 662 HE2 PHE 92 2HE PHE 92 -1.103 -10.217 2.161 663 HZ PHE 92 HZ PHE 92 -1.225 -8.006 1.030 664 H ALA 93 H ALA 93 5.290 -7.571 5.101 665 HA ALA 93 HA ALA 93 4.782 -4.859 6.134 666 HB1 ALA 93 1HB ALA 93 7.022 -6.057 6.420 667 HB2 ALA 93 2HB ALA 93 7.228 -5.927 4.678 668 HB3 ALA 93 3HB ALA 93 7.109 -4.454 5.667 669 H ILE 94 H ILE 94 5.525 -3.041 4.543 670 HA ILE 94 HA ILE 94 5.895 -3.803 1.787 671 HB ILE 94 HB ILE 94 4.475 -1.757 1.099 672 HG12 ILE 94 1HG1 ILE 94 2.731 -2.529 3.444 673 HG13 ILE 94 2HG1 ILE 94 3.813 -1.133 3.417 674 HG21 ILE 94 1HG2 ILE 94 4.132 -4.120 0.371 675 HG22 ILE 94 2HG2 ILE 94 2.939 -4.309 1.689 676 HG23 ILE 94 3HG2 ILE 94 2.660 -3.158 0.388 677 HD11 ILE 94 3HD1 ILE 94 1.538 -0.449 2.838 678 HD12 ILE 94 1HD1 ILE 94 2.625 -0.204 1.456 679 HD13 ILE 94 2HD1 ILE 94 1.497 -1.575 1.482 680 H ARG 95 H ARG 95 7.166 -2.281 0.705 681 HA ARG 95 HA ARG 95 8.352 -0.024 2.248 682 HB2 ARG 95 1HB ARG 95 9.595 -2.282 1.015 683 HB3 ARG 95 2HB ARG 95 9.906 -0.974 -0.086 684 HG2 ARG 95 1HG ARG 95 10.636 -0.976 2.847 685 HG3 ARG 95 2HG ARG 95 11.703 -1.364 1.469 686 HD2 ARG 95 1HD ARG 95 10.362 1.281 1.350 687 HD3 ARG 95 2HD ARG 95 11.563 1.077 2.618 688 HE ARG 95 HE ARG 95 12.035 1.318 -0.195 689 HH11 ARG 95 1HH1 ARG 95 13.435 0.052 2.882 690 HH12 ARG 95 2HH1 ARG 95 15.057 0.196 2.271 691 HH21 ARG 95 1HH2 ARG 95 14.273 1.271 -0.940 692 HH22 ARG 95 2HH2 ARG 95 15.507 1.162 0.271 693 H LEU 96 H LEU 96 7.481 1.874 1.378 694 HA LEU 96 HA LEU 96 6.547 1.928 -1.395 695 HB2 LEU 96 1HB LEU 96 7.010 4.254 0.504 696 HB3 LEU 96 2HB LEU 96 6.101 4.279 -1.026 697 HG LEU 96 HG LEU 96 5.393 2.895 1.569 698 HD11 LEU 96 1HD1 LEU 96 3.300 4.183 1.370 699 HD12 LEU 96 2HD1 LEU 96 4.043 5.073 0.017 700 HD13 LEU 96 3HD1 LEU 96 4.778 5.061 1.664 701 HD21 LEU 96 3HD2 LEU 96 3.363 2.010 0.460 702 HD22 LEU 96 1HD2 LEU 96 4.858 1.243 -0.024 703 HD23 LEU 96 2HD2 LEU 96 4.106 2.432 -1.119 704 H VAL 97 H VAL 97 7.506 2.980 -3.135 705 HA VAL 97 HA VAL 97 10.237 3.999 -2.751 706 HB VAL 97 HB VAL 97 10.930 2.856 -4.807 707 HG11 VAL 97 1HG1 VAL 97 11.586 2.081 -2.574 708 HG12 VAL 97 2HG1 VAL 97 10.225 0.950 -2.521 709 HG13 VAL 97 3HG1 VAL 97 11.495 0.739 -3.737 710 HG21 VAL 97 3HG2 VAL 97 8.694 0.854 -4.491 711 HG22 VAL 97 1HG2 VAL 97 8.617 2.180 -5.661 712 HG23 VAL 97 2HG2 VAL 97 9.911 0.971 -5.760 713 H GLY 98 H GLY 98 10.763 5.713 -4.051 714 HA2 GLY 98 1HA GLY 98 10.615 7.321 -5.470 715 HA3 GLY 98 2HA GLY 98 9.082 6.713 -6.143 716 H ARG 99 H ARG 99 7.755 8.210 -5.666 717 HA ARG 99 HA ARG 99 7.432 9.377 -2.918 718 HB2 ARG 99 1HB ARG 99 9.080 10.620 -4.492 719 HB3 ARG 99 2HB ARG 99 7.652 11.173 -5.350 720 HG2 ARG 99 1HG ARG 99 7.978 11.583 -2.357 721 HG3 ARG 99 2HG ARG 99 8.774 12.632 -3.527 722 HD2 ARG 99 1HD ARG 99 5.972 12.407 -4.230 723 HD3 ARG 99 2HD ARG 99 6.145 12.861 -2.533 724 HE ARG 99 HE ARG 99 7.304 14.792 -3.082 725 HH11 ARG 99 1HH1 ARG 99 6.394 13.078 -6.134 726 HH12 ARG 99 2HH1 ARG 99 6.862 14.414 -7.111 727 HH21 ARG 99 1HH2 ARG 99 7.697 16.548 -4.438 728 HH22 ARG 99 2HH2 ARG 99 7.353 16.497 -6.110 729 H VAL 100 H VAL 100 5.403 10.061 -2.417 730 HA VAL 100 HA VAL 100 3.169 9.508 -4.242 731 HB VAL 100 HB VAL 100 2.856 8.547 -2.085 732 HG11 VAL 100 1HG1 VAL 100 4.421 9.248 -0.842 733 HG12 VAL 100 2HG1 VAL 100 3.800 10.873 -0.717 734 HG13 VAL 100 3HG1 VAL 100 2.882 9.450 -0.032 735 HG21 VAL 100 3HG2 VAL 100 0.887 10.642 -2.531 736 HG22 VAL 100 1HG2 VAL 100 0.935 8.995 -3.134 737 HG23 VAL 100 2HG2 VAL 100 0.743 9.254 -1.414 738 H ARG 101 H ARG 101 2.078 11.075 -5.259 739 HA ARG 101 HA ARG 101 2.042 13.811 -4.166 740 HB2 ARG 101 1HB ARG 101 3.593 14.006 -5.885 741 HB3 ARG 101 2HB ARG 101 2.857 12.770 -6.895 742 HG2 ARG 101 1HG ARG 101 1.327 15.336 -6.459 743 HG3 ARG 101 2HG ARG 101 2.767 15.349 -7.477 744 HD2 ARG 101 1HD ARG 101 1.872 13.480 -8.823 745 HD3 ARG 101 2HD ARG 101 0.364 13.501 -7.904 746 HE ARG 101 HE ARG 101 0.261 15.964 -8.648 747 HH11 ARG 101 1HH1 ARG 101 1.631 13.384 -10.731 748 HH12 ARG 101 2HH1 ARG 101 1.272 14.215 -12.199 749 HH21 ARG 101 1HH2 ARG 101 -0.377 16.941 -10.620 750 HH22 ARG 101 2HH2 ARG 101 -0.027 16.218 -12.138 751 H GLU 102 H GLU 102 -0.012 14.887 -4.736 752 HA GLU 102 HA GLU 102 -2.287 13.120 -4.761 753 HB2 GLU 102 1HB GLU 102 -1.938 16.088 -5.363 754 HB3 GLU 102 2HB GLU 102 -3.515 15.300 -5.337 755 HG2 GLU 102 1HG GLU 102 -3.281 14.875 -2.940 756 HG3 GLU 102 2HG GLU 102 -1.652 15.570 -2.958 757 H LEU 103 H LEU 103 -2.319 11.815 -6.598 758 HA LEU 103 HA LEU 103 -1.783 12.985 -9.255 759 HB2 LEU 103 1HB LEU 103 -2.909 10.255 -8.643 760 HB3 LEU 103 2HB LEU 103 -2.156 10.812 -10.143 761 HG LEU 103 HG LEU 103 -0.680 10.474 -7.521 762 HD11 LEU 103 1HD1 LEU 103 0.208 8.430 -8.378 763 HD12 LEU 103 2HD1 LEU 103 -0.541 8.724 -9.974 764 HD13 LEU 103 3HD1 LEU 103 -1.562 8.372 -8.600 765 HD21 LEU 103 3HD2 LEU 103 1.281 11.067 -8.601 766 HD22 LEU 103 1HD2 LEU 103 0.144 12.091 -9.511 767 HD23 LEU 103 2HD2 LEU 103 0.707 10.582 -10.204 768 H GLN 104 H GLN 104 -4.474 12.951 -7.201 769 HA GLN 104 HA GLN 104 -6.203 14.107 -9.188 770 HB2 GLN 104 1HB GLN 104 -6.562 11.313 -8.145 771 HB3 GLN 104 2HB GLN 104 -7.978 12.337 -7.991 772 HG2 GLN 104 1HG GLN 104 -8.147 12.618 -10.361 773 HG3 GLN 104 2HG GLN 104 -6.559 11.885 -10.639 774 HE21 GLN 104 1HE2 GLN 104 -6.392 9.586 -10.729 775 HE22 GLN 104 2HE2 GLN 104 -7.777 8.539 -10.415 776 H ARG 105 H ARG 105 -7.958 15.229 -8.150 777 HA ARG 105 HA ARG 105 -7.843 15.361 -5.188 778 HB2 ARG 105 1HB ARG 105 -8.208 17.573 -7.217 779 HB3 ARG 105 2HB ARG 105 -8.877 17.711 -5.599 780 HG2 ARG 105 1HG ARG 105 -6.814 17.700 -4.539 781 HG3 ARG 105 2HG ARG 105 -5.962 16.930 -5.893 782 HD2 ARG 105 1HD ARG 105 -5.980 18.913 -7.184 783 HD3 ARG 105 2HD ARG 105 -7.199 19.676 -6.135 784 HE ARG 105 HE ARG 105 -4.790 18.994 -4.689 785 HH11 ARG 105 1HH1 ARG 105 -5.991 21.408 -7.015 786 HH12 ARG 105 2HH1 ARG 105 -5.297 22.751 -6.187 787 HH21 ARG 105 1HH2 ARG 105 -4.154 20.795 -3.479 788 HH22 ARG 105 2HH2 ARG 105 -4.134 22.397 -4.157 789 H ARG 106 H ARG 106 -10.215 16.235 -4.517 790 HA ARG 106 HA ARG 106 -12.269 14.999 -6.255 791 HB2 ARG 106 1HB ARG 106 -11.695 13.559 -4.178 792 HB3 ARG 106 2HB ARG 106 -12.302 14.891 -3.190 793 HG2 ARG 106 1HG ARG 106 -14.508 14.691 -4.449 794 HG3 ARG 106 2HG ARG 106 -13.831 13.270 -5.279 795 HD2 ARG 106 1HD ARG 106 -13.413 12.238 -2.988 796 HD3 ARG 106 2HD ARG 106 -14.290 13.625 -2.292 797 HE ARG 106 HE ARG 106 -15.931 12.448 -4.275 798 HH11 ARG 106 1HH1 ARG 106 -14.734 11.861 -0.975 799 HH12 ARG 106 2HH1 ARG 106 -16.052 10.798 -0.567 800 HH21 ARG 106 1HH2 ARG 106 -17.486 10.806 -3.795 801 HH22 ARG 106 2HH2 ARG 106 -17.723 10.334 -2.140 802 H GLU 107 H GLU 107 -13.780 16.532 -6.731 803 HA GLU 107 HA GLU 107 -14.014 19.015 -5.200 804 HB2 GLU 107 1HB GLU 107 -15.615 17.719 -7.436 805 HB3 GLU 107 2HB GLU 107 -16.181 19.160 -6.590 806 HG2 GLU 107 1HG GLU 107 -14.747 20.537 -7.638 807 HG3 GLU 107 2HG GLU 107 -13.360 19.482 -7.382 808 H TYR 108 H TYR 108 -14.150 18.295 -3.146 809 HA TYR 108 HA TYR 108 -16.686 17.089 -2.327 810 HB2 TYR 108 1HB TYR 108 -16.031 16.146 -0.544 811 HB3 TYR 108 2HB TYR 108 -14.550 16.085 -1.471 812 HD1 TYR 108 2HD TYR 108 -13.903 18.843 -1.390 813 HD2 TYR 108 1HD TYR 108 -15.320 16.390 1.682 814 HE1 TYR 108 2HE TYR 108 -12.710 20.346 0.329 815 HE2 TYR 108 1HE TYR 108 -14.232 17.831 3.463 816 HH TYR 108 HH TYR 108 -13.090 20.924 2.736 817 H PHE 109 H PHE 109 -15.556 19.968 -2.880 818 HA PHE 109 HA PHE 109 -16.088 22.092 -2.460 819 HB2 PHE 109 1HB PHE 109 -18.679 20.991 -1.375 820 HB3 PHE 109 2HB PHE 109 -18.360 22.699 -1.719 821 HD1 PHE 109 2HD PHE 109 -17.831 23.447 -4.043 822 HD2 PHE 109 1HD PHE 109 -19.142 19.437 -3.187 823 HE1 PHE 109 2HE PHE 109 -18.132 23.031 -6.449 824 HE2 PHE 109 1HE PHE 109 -19.443 19.001 -5.608 825 HZ PHE 109 HZ PHE 109 -18.915 20.822 -7.273 Start of MODEL 13 1 H1 GLY 1 H GLY 1 11.680 14.853 6.567 2 HA2 GLY 1 1HA GLY 1 14.487 13.885 6.574 3 HA3 GLY 1 2HA GLY 1 13.086 12.803 6.471 4 H MET 2 H MET 2 15.251 14.837 4.727 5 HA MET 2 HA MET 2 14.117 14.024 2.174 6 HB2 MET 2 1HB MET 2 14.421 16.950 2.972 7 HB3 MET 2 2HB MET 2 14.413 16.394 1.297 8 HG2 MET 2 1HG MET 2 12.174 15.420 1.612 9 HG3 MET 2 2HG MET 2 12.128 16.063 3.259 10 HE1 MET 2 3HE MET 2 11.792 19.887 2.789 11 HE2 MET 2 1HE MET 2 11.335 18.533 3.840 12 HE3 MET 2 2HE MET 2 13.048 18.819 3.447 13 H SER 3 H SER 3 15.970 12.695 2.853 14 HA SER 3 HA SER 3 18.638 13.778 2.373 15 HB2 SER 3 1HB SER 3 19.162 13.359 4.900 16 HB3 SER 3 2HB SER 3 18.404 14.881 4.431 17 HG SER 3 HG SER 3 17.479 13.660 6.306 18 H ALA 4 H ALA 4 17.127 11.374 4.575 19 HA ALA 4 HA ALA 4 18.229 9.165 2.931 20 HB1 ALA 4 1HB ALA 4 19.011 8.013 4.990 21 HB2 ALA 4 2HB ALA 4 19.896 9.513 4.707 22 HB3 ALA 4 3HB ALA 4 18.613 9.445 5.950 23 H ASP 5 H ASP 5 17.226 7.176 3.386 24 HA ASP 5 HA ASP 5 15.357 6.045 3.041 25 HB2 ASP 5 1HB ASP 5 15.789 5.804 5.523 26 HB3 ASP 5 2HB ASP 5 14.410 6.906 5.781 27 H GLY 6 H GLY 6 12.523 6.624 4.064 28 HA2 GLY 6 1HA GLY 6 11.913 8.596 1.905 29 HA3 GLY 6 2HA GLY 6 11.039 7.099 2.152 30 H SER 7 H SER 7 10.229 9.942 2.165 31 HA SER 7 HA SER 7 8.813 10.193 4.753 32 HB2 SER 7 1HB SER 7 11.115 11.391 4.690 33 HB3 SER 7 2HB SER 7 10.373 12.428 3.447 34 HG SER 7 HG SER 7 9.903 13.541 5.145 35 H GLU 8 H GLU 8 7.349 12.235 4.472 36 HA GLU 8 HA GLU 8 5.672 13.353 3.446 37 HB2 GLU 8 1HB GLU 8 7.585 13.635 1.654 38 HB3 GLU 8 2HB GLU 8 6.556 12.602 0.654 39 HG2 GLU 8 1HG GLU 8 4.760 14.188 0.710 40 HG3 GLU 8 2HG GLU 8 5.506 15.103 2.028 41 H TYR 9 H TYR 9 5.940 10.407 3.935 42 HA TYR 9 HA TYR 9 3.525 9.412 2.476 43 HB2 TYR 9 1HB TYR 9 5.406 7.765 4.174 44 HB3 TYR 9 2HB TYR 9 4.217 7.209 3.020 45 HD1 TYR 9 2HD TYR 9 5.241 9.390 0.807 46 HD2 TYR 9 1HD TYR 9 7.125 6.368 3.250 47 HE1 TYR 9 2HE TYR 9 7.016 9.136 -0.895 48 HE2 TYR 9 1HE TYR 9 8.901 6.114 1.590 49 HH TYR 9 HH TYR 9 9.152 8.070 -1.406 50 H GLY 10 H GLY 10 4.954 9.720 5.779 51 HA2 GLY 10 1HA GLY 10 2.662 8.682 7.189 52 HA3 GLY 10 2HA GLY 10 4.072 9.495 7.870 53 H ARG 11 H ARG 11 2.636 11.292 5.401 54 HA ARG 11 HA ARG 11 1.104 13.074 7.188 55 HB2 ARG 11 1HB ARG 11 1.087 14.552 5.149 56 HB3 ARG 11 2HB ARG 11 2.632 14.323 5.875 57 HG2 ARG 11 1HG ARG 11 3.268 12.702 4.167 58 HG3 ARG 11 2HG ARG 11 1.680 12.831 3.421 59 HD2 ARG 11 1HD ARG 11 3.767 14.995 3.759 60 HD3 ARG 11 2HD ARG 11 3.311 14.184 2.241 61 HE ARG 11 HE ARG 11 0.980 15.368 3.148 62 HH11 ARG 11 1HH1 ARG 11 4.181 16.681 2.773 63 HH12 ARG 11 2HH1 ARG 11 3.747 18.086 1.882 64 HH21 ARG 11 1HH2 ARG 11 0.254 17.283 2.036 65 HH22 ARG 11 2HH2 ARG 11 1.369 18.445 1.466 66 H TYR 12 H TYR 12 0.747 10.542 4.813 67 HA TYR 12 HA TYR 12 -2.133 11.148 4.550 68 HB2 TYR 12 1HB TYR 12 -0.404 9.330 2.794 69 HB3 TYR 12 2HB TYR 12 -1.974 9.956 2.470 70 HD1 TYR 12 1HD TYR 12 -1.384 12.971 3.244 71 HD2 TYR 12 2HD TYR 12 0.947 9.974 1.229 72 HE1 TYR 12 1HE TYR 12 -0.470 14.705 1.724 73 HE2 TYR 12 2HE TYR 12 1.883 11.601 -0.262 74 HH TYR 12 HH TYR 12 1.222 15.197 0.111 75 H PHE 13 H PHE 13 0.287 8.589 5.215 76 HA PHE 13 HA PHE 13 -1.918 6.674 5.785 77 HB2 PHE 13 1HB PHE 13 1.094 6.277 5.840 78 HB3 PHE 13 2HB PHE 13 -0.139 5.013 5.936 79 HD1 PHE 13 1HD PHE 13 -1.534 4.488 3.795 80 HD2 PHE 13 2HD PHE 13 1.903 7.078 3.824 81 HE1 PHE 13 1HE PHE 13 -1.412 4.350 1.339 82 HE2 PHE 13 2HE PHE 13 1.905 7.094 1.361 83 HZ PHE 13 HZ PHE 13 0.311 5.705 0.126 84 H GLU 14 H GLU 14 -1.895 5.567 7.823 85 HA GLU 14 HA GLU 14 -0.737 6.905 10.139 86 HB2 GLU 14 1HB GLU 14 -2.883 7.982 9.415 87 HB3 GLU 14 2HB GLU 14 -3.737 6.458 9.711 88 HG2 GLU 14 1HG GLU 14 -2.358 8.316 11.676 89 HG3 GLU 14 2HG GLU 14 -4.094 8.122 11.434 90 H GLN 15 H GLN 15 -1.156 5.478 11.922 91 HA GLN 15 HA GLN 15 -0.099 2.849 11.348 92 HB2 GLN 15 1HB GLN 15 0.201 4.380 13.427 93 HB3 GLN 15 2HB GLN 15 -1.367 3.755 13.953 94 HG2 GLN 15 1HG GLN 15 -0.341 1.421 13.605 95 HG3 GLN 15 2HG GLN 15 1.225 2.246 13.463 96 HE21 GLN 15 1HE2 GLN 15 0.459 0.231 15.343 97 HE22 GLN 15 2HE2 GLN 15 0.341 0.959 16.954 98 H LEU 16 H LEU 16 -3.402 3.867 11.689 99 HA LEU 16 HA LEU 16 -4.244 0.985 11.563 100 HB2 LEU 16 1HB LEU 16 -5.887 3.236 12.737 101 HB3 LEU 16 2HB LEU 16 -6.195 1.515 12.852 102 HG LEU 16 HG LEU 16 -3.904 2.992 14.223 103 HD11 LEU 16 1HD1 LEU 16 -6.118 3.598 15.111 104 HD12 LEU 16 2HD1 LEU 16 -5.222 2.616 16.281 105 HD13 LEU 16 3HD1 LEU 16 -6.528 1.886 15.313 106 HD21 LEU 16 3HD2 LEU 16 -3.563 0.975 15.526 107 HD22 LEU 16 1HD2 LEU 16 -3.364 0.615 13.797 108 HD23 LEU 16 2HD2 LEU 16 -4.863 0.138 14.633 109 H GLN 17 H GLN 17 -3.826 3.429 9.499 110 HA GLN 17 HA GLN 17 -6.536 3.661 8.383 111 HB2 GLN 17 1HB GLN 17 -3.929 4.958 7.951 112 HB3 GLN 17 2HB GLN 17 -4.657 4.498 6.421 113 HG2 GLN 17 1HG GLN 17 -6.752 5.659 7.033 114 HG3 GLN 17 2HG GLN 17 -6.105 6.038 8.637 115 HE21 GLN 17 1HE2 GLN 17 -5.243 6.467 5.135 116 HE22 GLN 17 2HE2 GLN 17 -4.412 7.998 5.425 117 H LYS 18 H LYS 18 -6.756 3.200 5.975 118 HA LYS 18 HA LYS 18 -5.842 0.406 5.476 119 HB2 LYS 18 1HB LYS 18 -8.303 1.939 4.549 120 HB3 LYS 18 2HB LYS 18 -7.715 0.503 3.717 121 HG2 LYS 18 1HG LYS 18 -9.270 -0.418 5.131 122 HG3 LYS 18 2HG LYS 18 -7.761 -0.682 5.995 123 HD2 LYS 18 1HD LYS 18 -9.385 -0.026 7.623 124 HD3 LYS 18 2HD LYS 18 -8.329 1.366 7.416 125 HE2 LYS 18 1HE LYS 18 -10.012 2.290 5.760 126 HE3 LYS 18 2HE LYS 18 -11.085 0.937 6.135 127 HZ1 LYS 18 3HZ LYS 18 -10.149 2.499 8.408 128 HZ2 LYS 18 1HZ LYS 18 -11.660 1.910 8.079 129 HZ3 LYS 18 2HZ LYS 18 -11.165 3.254 7.325 130 H VAL 19 H VAL 19 -5.104 -0.131 3.383 131 HA VAL 19 HA VAL 19 -4.350 2.046 1.462 132 HB VAL 19 HB VAL 19 -2.198 1.278 1.155 133 HG11 VAL 19 1HG1 VAL 19 -2.590 1.656 4.135 134 HG12 VAL 19 2HG1 VAL 19 -1.164 2.081 3.154 135 HG13 VAL 19 3HG1 VAL 19 -2.718 2.933 2.924 136 HG21 VAL 19 3HG2 VAL 19 -2.632 -0.770 3.373 137 HG22 VAL 19 1HG2 VAL 19 -2.327 -1.131 1.662 138 HG23 VAL 19 2HG2 VAL 19 -1.061 -0.374 2.635 139 H ASN 20 H ASN 20 -4.474 1.264 -0.630 140 HA ASN 20 HA ASN 20 -5.938 -1.175 -1.154 141 HB2 ASN 20 1HB ASN 20 -6.110 1.015 -2.429 142 HB3 ASN 20 2HB ASN 20 -4.474 0.710 -3.053 143 HD21 ASN 20 1HD2 ASN 20 -7.572 -1.250 -2.643 144 HD22 ASN 20 2HD2 ASN 20 -7.188 -2.100 -4.120 145 H LEU 21 H LEU 21 -5.063 -2.861 -2.821 146 HA LEU 21 HA LEU 21 -2.277 -3.570 -2.034 147 HB2 LEU 21 1HB LEU 21 -4.698 -5.393 -1.959 148 HB3 LEU 21 2HB LEU 21 -3.042 -5.821 -1.562 149 HG LEU 21 HG LEU 21 -4.823 -3.992 0.066 150 HD11 LEU 21 1HD1 LEU 21 -3.675 -6.802 0.446 151 HD12 LEU 21 2HD1 LEU 21 -5.370 -6.411 0.112 152 HD13 LEU 21 3HD1 LEU 21 -4.635 -5.919 1.638 153 HD21 LEU 21 3HD2 LEU 21 -3.063 -4.018 1.749 154 HD22 LEU 21 1HD2 LEU 21 -2.462 -3.266 0.287 155 HD23 LEU 21 2HD2 LEU 21 -1.990 -4.934 0.671 156 H THR 22 H THR 22 -2.787 -2.564 -4.664 157 HA THR 22 HA THR 22 -3.466 -4.711 -6.444 158 HB THR 22 HB THR 22 -1.850 -2.216 -7.033 159 HG1 THR 22 1HG THR 22 -4.534 -2.578 -6.407 160 HG21 THR 22 3HG2 THR 22 -3.765 -3.833 -8.774 161 HG22 THR 22 1HG2 THR 22 -1.989 -3.920 -8.867 162 HG23 THR 22 2HG2 THR 22 -2.817 -2.403 -9.264 163 H VAL 23 H VAL 23 -2.232 -6.556 -6.191 164 HA VAL 23 HA VAL 23 0.747 -6.368 -6.211 165 HB VAL 23 HB VAL 23 -1.055 -8.823 -5.959 166 HG11 VAL 23 1HG1 VAL 23 1.367 -9.191 -6.740 167 HG12 VAL 23 2HG1 VAL 23 1.850 -8.564 -5.151 168 HG13 VAL 23 3HG1 VAL 23 0.881 -10.028 -5.265 169 HG21 VAL 23 3HG2 VAL 23 -0.020 -6.951 -3.864 170 HG22 VAL 23 1HG2 VAL 23 -1.557 -7.829 -3.942 171 HG23 VAL 23 2HG2 VAL 23 -0.057 -8.667 -3.504 172 H ARG 24 H ARG 24 1.606 -6.131 -8.333 173 HA ARG 24 HA ARG 24 0.439 -7.208 -10.692 174 HB2 ARG 24 1HB ARG 24 2.140 -5.533 -10.847 175 HB3 ARG 24 2HB ARG 24 3.257 -6.447 -9.853 176 HG2 ARG 24 1HG ARG 24 3.337 -8.182 -11.672 177 HG3 ARG 24 2HG ARG 24 2.417 -7.063 -12.715 178 HD2 ARG 24 1HD ARG 24 4.226 -5.390 -12.548 179 HD3 ARG 24 2HD ARG 24 5.047 -6.401 -11.348 180 HE ARG 24 HE ARG 24 4.714 -7.207 -14.222 181 HH11 ARG 24 1HH1 ARG 24 7.088 -6.412 -11.729 182 HH12 ARG 24 2HH1 ARG 24 8.244 -7.555 -12.291 183 HH21 ARG 24 1HH2 ARG 24 6.219 -8.625 -15.016 184 HH22 ARG 24 2HH2 ARG 24 7.732 -8.885 -14.220 185 H LEU 25 H LEU 25 -0.147 -9.279 -10.877 186 HA LEU 25 HA LEU 25 1.500 -11.518 -9.861 187 HB2 LEU 25 1HB LEU 25 -1.278 -11.291 -11.121 188 HB3 LEU 25 2HB LEU 25 -0.498 -12.772 -10.941 189 HG LEU 25 HG LEU 25 -0.563 -12.863 -8.860 190 HD11 LEU 25 1HD1 LEU 25 0.367 -10.974 -7.870 191 HD12 LEU 25 2HD1 LEU 25 -0.821 -11.828 -6.950 192 HD13 LEU 25 3HD1 LEU 25 -1.302 -10.319 -7.732 193 HD21 LEU 25 3HD2 LEU 25 -2.608 -13.547 -9.347 194 HD22 LEU 25 1HD2 LEU 25 -3.139 -11.952 -9.840 195 HD23 LEU 25 2HD2 LEU 25 -3.028 -12.343 -8.103 196 H GLY 26 H GLY 26 3.072 -10.336 -11.499 197 HA2 GLY 26 1HA GLY 26 4.335 -10.854 -13.417 198 HA3 GLY 26 2HA GLY 26 3.255 -12.288 -13.541 199 H ASP 27 H ASP 27 2.705 -8.786 -13.801 200 HA ASP 27 HA ASP 27 2.329 -7.382 -15.482 201 HB2 ASP 27 1HB ASP 27 2.955 -9.650 -17.404 202 HB3 ASP 27 2HB ASP 27 2.918 -7.925 -17.741 203 H THR 28 H THR 28 0.953 -10.365 -16.861 204 HA THR 28 HA THR 28 -1.217 -9.020 -18.117 205 HB THR 28 HB THR 28 -0.154 -11.179 -18.817 206 HG1 THR 28 1HG THR 28 -2.059 -12.213 -19.417 207 HG21 THR 28 3HG2 THR 28 -0.728 -13.281 -17.789 208 HG22 THR 28 1HG2 THR 28 -1.811 -12.511 -16.617 209 HG23 THR 28 2HG2 THR 28 -0.063 -12.259 -16.524 210 H GLY 29 H GLY 29 -0.828 -10.130 -14.820 211 HA2 GLY 29 1HA GLY 29 -3.714 -9.755 -14.250 212 HA3 GLY 29 2HA GLY 29 -2.897 -11.269 -13.811 213 H SER 30 H SER 30 -4.076 -9.861 -11.885 214 HA SER 30 HA SER 30 -1.921 -9.610 -10.016 215 HB2 SER 30 1HB SER 30 -3.168 -7.103 -9.566 216 HB3 SER 30 2HB SER 30 -1.683 -7.262 -10.512 217 HG SER 30 HG SER 30 -3.756 -6.093 -11.352 218 H PHE 31 H PHE 31 -2.868 -8.780 -7.950 219 HA PHE 31 HA PHE 31 -5.687 -9.670 -7.554 220 HB2 PHE 31 1HB PHE 31 -4.163 -11.152 -6.299 221 HB3 PHE 31 2HB PHE 31 -3.276 -9.774 -5.677 222 HD1 PHE 31 1HD PHE 31 -6.730 -11.276 -5.695 223 HD2 PHE 31 2HD PHE 31 -3.897 -8.750 -3.636 224 HE1 PHE 31 1HE PHE 31 -8.286 -11.094 -3.781 225 HE2 PHE 31 2HE PHE 31 -5.451 -8.590 -1.704 226 HZ PHE 31 HZ PHE 31 -7.642 -9.771 -1.783 227 H ASP 32 H ASP 32 -6.948 -8.087 -6.477 228 HA ASP 32 HA ASP 32 -5.525 -5.791 -5.268 229 HB2 ASP 32 1HB ASP 32 -6.409 -4.970 -7.369 230 HB3 ASP 32 2HB ASP 32 -8.026 -5.600 -6.982 231 H GLY 33 H GLY 33 -6.390 -5.023 -3.424 232 HA2 GLY 33 1HA GLY 33 -8.793 -6.037 -2.150 233 HA3 GLY 33 2HA GLY 33 -7.320 -6.832 -1.551 234 H THR 34 H THR 34 -8.101 -5.728 0.508 235 HA THR 34 HA THR 34 -6.886 -3.049 0.752 236 HB THR 34 HB THR 34 -9.374 -3.942 2.260 237 HG1 THR 34 1HG THR 34 -9.337 -2.236 -0.014 238 HG21 THR 34 3HG2 THR 34 -8.133 -2.105 3.294 239 HG22 THR 34 1HG2 THR 34 -9.665 -1.511 2.635 240 HG23 THR 34 2HG2 THR 34 -8.147 -1.194 1.763 241 H ALA 35 H ALA 35 -5.760 -2.842 2.797 242 HA ALA 35 HA ALA 35 -6.197 -4.973 4.746 243 HB1 ALA 35 1HB ALA 35 -3.406 -3.996 3.959 244 HB2 ALA 35 2HB ALA 35 -3.774 -5.027 5.345 245 HB3 ALA 35 3HB ALA 35 -4.013 -5.643 3.706 246 H ALA 36 H ALA 36 -5.423 -4.258 6.954 247 HA ALA 36 HA ALA 36 -5.681 -1.295 7.223 248 HB1 ALA 36 1HB ALA 36 -5.913 -1.813 9.620 249 HB2 ALA 36 2HB ALA 36 -7.159 -2.669 8.684 250 HB3 ALA 36 3HB ALA 36 -5.734 -3.545 9.285 251 H ILE 37 H ILE 37 -3.918 -0.209 8.071 252 HA ILE 37 HA ILE 37 -1.284 -1.424 8.204 253 HB ILE 37 HB ILE 37 -2.353 1.320 8.974 254 HG12 ILE 37 1HG1 ILE 37 -0.678 0.438 6.573 255 HG13 ILE 37 2HG1 ILE 37 -2.402 0.701 6.483 256 HG21 ILE 37 1HG2 ILE 37 -0.195 0.730 10.188 257 HG22 ILE 37 2HG2 ILE 37 0.576 0.517 8.617 258 HG23 ILE 37 3HG2 ILE 37 -0.072 2.103 9.140 259 HD11 ILE 37 3HD1 ILE 37 -2.167 3.065 6.945 260 HD12 ILE 37 1HD1 ILE 37 -0.400 2.893 7.146 261 HD13 ILE 37 2HD1 ILE 37 -1.141 2.604 5.582 262 H THR 38 H THR 38 -0.149 -1.663 10.095 263 HA THR 38 HA THR 38 -1.708 -1.865 12.599 264 HB THR 38 HB THR 38 -0.601 -4.014 13.111 265 HG1 THR 38 1HG THR 38 0.462 -5.052 11.245 266 HG21 THR 38 3HG2 THR 38 -1.843 -4.141 10.323 267 HG22 THR 38 1HG2 THR 38 -2.740 -4.124 11.860 268 HG23 THR 38 2HG2 THR 38 -1.640 -5.468 11.476 269 H SER 39 H SER 39 1.431 -1.602 11.052 270 HA SER 39 HA SER 39 2.348 0.275 13.111 271 HB2 SER 39 1HB SER 39 3.983 -2.109 12.103 272 HB3 SER 39 2HB SER 39 4.599 -0.773 13.104 273 HG SER 39 HG SER 39 3.126 -1.306 14.682 274 H LEU 40 H LEU 40 3.935 1.696 12.248 275 HA LEU 40 HA LEU 40 4.406 1.761 9.339 276 HB2 LEU 40 1HB LEU 40 2.177 2.969 10.361 277 HB3 LEU 40 2HB LEU 40 3.378 4.197 10.689 278 HG LEU 40 HG LEU 40 2.605 3.071 7.982 279 HD11 LEU 40 1HD1 LEU 40 0.926 4.505 8.987 280 HD12 LEU 40 2HD1 LEU 40 1.717 5.360 7.659 281 HD13 LEU 40 3HD1 LEU 40 2.134 5.759 9.322 282 HD21 LEU 40 3HD2 LEU 40 4.812 5.029 8.711 283 HD22 LEU 40 1HD2 LEU 40 3.969 5.151 7.163 284 HD23 LEU 40 2HD2 LEU 40 4.828 3.653 7.547 285 H LYS 41 H LYS 41 6.493 2.546 9.045 286 HA LYS 41 HA LYS 41 7.668 4.487 10.873 287 HB2 LYS 41 1HB LYS 41 8.275 2.471 12.044 288 HB3 LYS 41 2HB LYS 41 8.719 1.664 10.544 289 HG2 LYS 41 1HG LYS 41 10.330 4.064 10.722 290 HG3 LYS 41 2HG LYS 41 10.353 3.312 12.309 291 HD2 LYS 41 1HD LYS 41 10.846 1.732 9.751 292 HD3 LYS 41 2HD LYS 41 12.142 2.548 10.605 293 HE2 LYS 41 1HE LYS 41 10.251 0.694 12.097 294 HE3 LYS 41 2HE LYS 41 11.582 0.016 11.148 295 HZ1 LYS 41 3HZ LYS 41 13.132 1.235 12.438 296 HZ2 LYS 41 1HZ LYS 41 12.169 0.400 13.482 297 HZ3 LYS 41 2HZ LYS 41 11.964 2.000 13.306 298 H GLY 42 H GLY 42 7.635 5.824 9.095 299 HA2 GLY 42 1HA GLY 42 8.713 6.926 7.529 300 HA3 GLY 42 2HA GLY 42 10.056 5.781 7.624 301 H SER 43 H SER 43 10.369 4.430 5.800 302 HA SER 43 HA SER 43 8.205 4.311 3.729 303 HB2 SER 43 1HB SER 43 9.918 3.596 2.197 304 HB3 SER 43 2HB SER 43 10.326 5.195 2.880 305 HG SER 43 HG SER 43 11.889 4.236 4.194 306 H LEU 44 H LEU 44 7.945 2.910 6.126 307 HA LEU 44 HA LEU 44 7.820 0.196 5.059 308 HB2 LEU 44 1HB LEU 44 9.969 0.556 6.506 309 HB3 LEU 44 2HB LEU 44 8.898 0.631 7.870 310 HG LEU 44 HG LEU 44 10.118 -1.578 6.669 311 HD11 LEU 44 1HD1 LEU 44 8.017 -1.553 8.844 312 HD12 LEU 44 2HD1 LEU 44 9.778 -1.384 9.035 313 HD13 LEU 44 3HD1 LEU 44 9.102 -2.918 8.469 314 HD21 LEU 44 3HD2 LEU 44 8.326 -1.900 5.040 315 HD22 LEU 44 1HD2 LEU 44 7.221 -2.213 6.402 316 HD23 LEU 44 2HD2 LEU 44 8.639 -3.239 6.126 317 H ALA 45 H ALA 45 5.882 -0.628 5.614 318 HA ALA 45 HA ALA 45 4.582 0.172 8.133 319 HB1 ALA 45 1HB ALA 45 3.005 0.126 5.532 320 HB2 ALA 45 2HB ALA 45 2.352 0.331 7.164 321 HB3 ALA 45 3HB ALA 45 3.402 1.581 6.482 322 H TRP 46 H TRP 46 2.916 -1.459 8.649 323 HA TRP 46 HA TRP 46 3.346 -4.130 7.411 324 HB2 TRP 46 1HB TRP 46 3.502 -3.315 10.311 325 HB3 TRP 46 2HB TRP 46 2.819 -4.874 9.886 326 HD1 TRP 46 HD TRP 46 6.181 -2.998 9.689 327 HE1 TRP 46 1HE TRP 46 8.055 -4.773 9.291 328 HE3 TRP 46 3HE TRP 46 3.263 -7.120 8.851 329 HZ2 TRP 46 2HZ TRP 46 8.194 -7.551 8.444 330 HZ3 TRP 46 3HZ TRP 46 4.270 -9.270 8.142 331 HH2 TRP 46 HH TRP 46 6.741 -9.497 7.958 332 H LEU 47 H LEU 47 1.533 -5.426 7.330 333 HA LEU 47 HA LEU 47 -1.055 -4.026 7.510 334 HB2 LEU 47 1HB LEU 47 0.260 -5.456 5.154 335 HB3 LEU 47 2HB LEU 47 -1.406 -4.919 5.153 336 HG LEU 47 HG LEU 47 0.977 -3.029 5.432 337 HD11 LEU 47 1HD1 LEU 47 0.505 -2.433 3.096 338 HD12 LEU 47 2HD1 LEU 47 -0.677 -3.760 2.988 339 HD13 LEU 47 3HD1 LEU 47 1.047 -4.110 3.288 340 HD21 LEU 47 3HD2 LEU 47 -0.642 -1.276 4.863 341 HD22 LEU 47 1HD2 LEU 47 -1.133 -2.125 6.324 342 HD23 LEU 47 2HD2 LEU 47 -1.957 -2.477 4.813 343 H GLU 48 H GLU 48 -2.886 -5.480 7.457 344 HA GLU 48 HA GLU 48 -2.258 -8.356 7.621 345 HB2 GLU 48 1HB GLU 48 -3.274 -8.697 9.692 346 HB3 GLU 48 2HB GLU 48 -2.042 -7.423 9.802 347 HG2 GLU 48 1HG GLU 48 -3.817 -5.755 9.750 348 HG3 GLU 48 2HG GLU 48 -5.047 -7.025 9.831 349 H LEU 49 H LEU 49 -3.515 -7.359 5.422 350 HA LEU 49 HA LEU 49 -5.443 -7.285 4.163 351 HB2 LEU 49 1HB LEU 49 -5.412 -9.948 5.514 352 HB3 LEU 49 2HB LEU 49 -6.898 -9.539 4.774 353 HG LEU 49 HG LEU 49 -4.245 -9.947 3.433 354 HD11 LEU 49 1HD1 LEU 49 -7.026 -11.041 2.827 355 HD12 LEU 49 2HD1 LEU 49 -5.850 -11.852 3.881 356 HD13 LEU 49 3HD1 LEU 49 -5.485 -11.626 2.167 357 HD21 LEU 49 3HD2 LEU 49 -5.491 -9.400 1.235 358 HD22 LEU 49 1HD2 LEU 49 -4.877 -8.072 2.225 359 HD23 LEU 49 2HD2 LEU 49 -6.598 -8.467 2.249 360 H PHE 50 H PHE 50 -8.006 -7.910 4.375 361 HA PHE 50 HA PHE 50 -9.066 -6.390 6.693 362 HB2 PHE 50 1HB PHE 50 -9.258 -5.905 3.890 363 HB3 PHE 50 2HB PHE 50 -10.800 -6.618 4.318 364 HD1 PHE 50 1HD PHE 50 -8.340 -4.308 5.952 365 HD2 PHE 50 2HD PHE 50 -12.428 -5.029 4.825 366 HE1 PHE 50 1HE PHE 50 -8.987 -2.227 7.073 367 HE2 PHE 50 2HE PHE 50 -13.082 -2.838 5.834 368 HZ PHE 50 HZ PHE 50 -11.376 -1.437 6.976 369 H GLY 51 H GLY 51 -9.268 -9.335 4.870 370 HA2 GLY 51 1HA GLY 51 -10.353 -11.345 5.788 371 HA3 GLY 51 2HA GLY 51 -11.532 -10.268 6.558 372 H ALA 52 H ALA 52 -12.927 -11.777 5.415 373 HA ALA 52 HA ALA 52 -14.348 -12.497 3.899 374 HB1 ALA 52 1HB ALA 52 -15.274 -11.047 2.300 375 HB2 ALA 52 2HB ALA 52 -14.825 -10.011 3.661 376 HB3 ALA 52 3HB ALA 52 -13.832 -10.049 2.193 377 H GLU 53 H GLU 53 -11.809 -10.960 1.921 378 HA GLU 53 HA GLU 53 -11.600 -13.359 0.175 379 HB2 GLU 53 1HB GLU 53 -11.763 -11.885 -1.713 380 HB3 GLU 53 2HB GLU 53 -13.106 -11.518 -0.629 381 HG2 GLU 53 1HG GLU 53 -11.257 -9.746 0.332 382 HG3 GLU 53 2HG GLU 53 -10.676 -9.916 -1.320 383 H GLN 54 H GLN 54 -9.505 -13.378 -1.113 384 HA GLN 54 HA GLN 54 -7.237 -11.889 -0.038 385 HB2 GLN 54 1HB GLN 54 -6.149 -13.999 0.832 386 HB3 GLN 54 2HB GLN 54 -7.567 -13.515 1.744 387 HG2 GLN 54 1HG GLN 54 -8.909 -15.261 0.582 388 HG3 GLN 54 2HG GLN 54 -7.503 -15.650 -0.414 389 HE21 GLN 54 1HE2 GLN 54 -7.691 -15.066 3.241 390 HE22 GLN 54 2HE2 GLN 54 -6.896 -16.589 3.539 391 HA PRO 55 HA PRO 55 -5.602 -13.176 -3.981 392 HB2 PRO 55 1HB PRO 55 -2.881 -13.517 -3.501 393 HB3 PRO 55 2HB PRO 55 -3.672 -11.930 -3.653 394 HG2 PRO 55 1HG PRO 55 -2.947 -13.441 -1.153 395 HG3 PRO 55 2HG PRO 55 -2.758 -11.696 -1.517 396 HD2 PRO 55 1HD PRO 55 -4.804 -12.703 -0.024 397 HD3 PRO 55 2HD PRO 55 -5.009 -11.261 -1.041 398 HA PRO 56 HA PRO 56 -4.980 -17.667 -3.705 399 HB2 PRO 56 1HB PRO 56 -3.032 -17.987 -5.755 400 HB3 PRO 56 2HB PRO 56 -4.785 -18.204 -5.894 401 HG2 PRO 56 1HG PRO 56 -3.198 -16.068 -7.020 402 HG3 PRO 56 2HG PRO 56 -4.956 -16.335 -7.153 403 HD2 PRO 56 1HD PRO 56 -3.461 -14.466 -5.460 404 HD3 PRO 56 2HD PRO 56 -5.206 -14.496 -5.831 405 HA PRO 57 HA PRO 57 -0.956 -17.995 -1.542 406 HB2 PRO 57 1HB PRO 57 -0.603 -20.690 -1.494 407 HB3 PRO 57 2HB PRO 57 -1.917 -19.926 -0.542 408 HG2 PRO 57 1HG PRO 57 -2.111 -21.199 -3.297 409 HG3 PRO 57 2HG PRO 57 -3.147 -21.516 -1.869 410 HD2 PRO 57 1HD PRO 57 -3.820 -19.752 -3.849 411 HD3 PRO 57 2HD PRO 57 -4.282 -19.471 -2.142 412 H ASN 58 H ASN 58 1.271 -19.042 -2.189 413 HA ASN 58 HA ASN 58 2.918 -19.451 -3.714 414 HB2 ASN 58 1HB ASN 58 0.713 -21.175 -4.375 415 HB3 ASN 58 2HB ASN 58 1.317 -20.592 -5.892 416 HD21 ASN 58 1HD2 ASN 58 2.516 -21.943 -2.755 417 HD22 ASN 58 2HD2 ASN 58 3.605 -23.077 -3.555 418 H THR 59 H THR 59 1.384 -16.895 -3.833 419 HA THR 59 HA THR 59 1.897 -15.964 -6.622 420 HB THR 59 HB THR 59 -0.639 -15.454 -5.063 421 HG1 THR 59 1HG THR 59 -0.628 -17.635 -5.691 422 HG21 THR 59 3HG2 THR 59 -1.489 -14.576 -7.090 423 HG22 THR 59 1HG2 THR 59 -0.075 -15.124 -8.017 424 HG23 THR 59 2HG2 THR 59 0.097 -13.824 -6.823 425 H LEU 60 H LEU 60 1.277 -15.021 -3.161 426 HA LEU 60 HA LEU 60 2.446 -12.358 -3.578 427 HB2 LEU 60 1HB LEU 60 1.912 -13.979 -1.055 428 HB3 LEU 60 2HB LEU 60 2.572 -12.345 -1.099 429 HG LEU 60 HG LEU 60 -0.213 -13.186 -2.000 430 HD11 LEU 60 1HD1 LEU 60 0.666 -11.251 0.186 431 HD12 LEU 60 2HD1 LEU 60 0.260 -12.965 0.479 432 HD13 LEU 60 3HD1 LEU 60 -0.967 -11.846 -0.133 433 HD21 LEU 60 3HD2 LEU 60 1.121 -10.442 -2.082 434 HD22 LEU 60 1HD2 LEU 60 -0.608 -10.719 -2.265 435 HD23 LEU 60 2HD2 LEU 60 0.500 -11.376 -3.479 436 H SER 61 H SER 61 4.590 -11.865 -3.566 437 HA SER 61 HA SER 61 6.451 -13.698 -2.136 438 HB2 SER 61 1HB SER 61 7.134 -12.233 -4.705 439 HB3 SER 61 2HB SER 61 8.144 -13.341 -3.809 440 HG SER 61 HG SER 61 6.217 -13.874 -5.682 441 H GLU 62 H GLU 62 8.488 -12.567 -1.546 442 HA GLU 62 HA GLU 62 7.777 -10.311 0.062 443 HB2 GLU 62 1HB GLU 62 10.536 -11.513 -0.398 444 HB3 GLU 62 2HB GLU 62 10.088 -10.360 0.870 445 HG2 GLU 62 1HG GLU 62 8.291 -12.098 1.544 446 HG3 GLU 62 2HG GLU 62 9.267 -13.224 0.606 447 H GLY 63 H GLY 63 8.467 -10.138 -3.060 448 HA2 GLY 63 1HA GLY 63 9.829 -7.464 -2.932 449 HA3 GLY 63 2HA GLY 63 10.264 -8.681 -4.149 450 H ALA 64 H ALA 64 6.848 -8.668 -3.335 451 HA ALA 64 HA ALA 64 6.329 -8.322 -6.129 452 HB1 ALA 64 1HB ALA 64 4.938 -9.675 -4.520 453 HB2 ALA 64 2HB ALA 64 4.342 -8.187 -3.788 454 HB3 ALA 64 3HB ALA 64 3.993 -8.522 -5.488 455 H GLU 65 H GLU 65 6.075 -6.418 -7.224 456 HA GLU 65 HA GLU 65 6.328 -3.874 -5.871 457 HB2 GLU 65 1HB GLU 65 6.089 -2.899 -8.117 458 HB3 GLU 65 2HB GLU 65 7.426 -4.051 -7.956 459 HG2 GLU 65 1HG GLU 65 6.125 -5.794 -9.095 460 HG3 GLU 65 2HG GLU 65 4.712 -4.742 -9.201 461 H VAL 66 H VAL 66 4.572 -4.309 -4.502 462 HA VAL 66 HA VAL 66 1.893 -4.167 -5.581 463 HB VAL 66 HB VAL 66 1.018 -4.429 -3.423 464 HG11 VAL 66 1HG1 VAL 66 3.512 -6.150 -3.530 465 HG12 VAL 66 2HG1 VAL 66 1.955 -6.579 -2.847 466 HG13 VAL 66 3HG1 VAL 66 2.138 -6.385 -4.602 467 HG21 VAL 66 3HG2 VAL 66 3.816 -3.925 -2.323 468 HG22 VAL 66 1HG2 VAL 66 2.298 -3.029 -2.012 469 HG23 VAL 66 2HG2 VAL 66 2.485 -4.670 -1.396 470 H SER 67 H SER 67 0.464 -2.540 -5.592 471 HA SER 67 HA SER 67 1.707 0.115 -5.312 472 HB2 SER 67 1HB SER 67 -0.653 0.159 -6.946 473 HB3 SER 67 2HB SER 67 1.025 0.460 -7.389 474 HG SER 67 HG SER 67 1.228 -1.884 -7.601 475 H VAL 68 H VAL 68 0.938 1.559 -3.683 476 HA VAL 68 HA VAL 68 -1.478 0.730 -2.242 477 HB VAL 68 HB VAL 68 -0.821 2.091 -0.526 478 HG11 VAL 68 1HG1 VAL 68 0.757 0.182 -0.848 479 HG12 VAL 68 2HG1 VAL 68 1.911 1.350 -1.511 480 HG13 VAL 68 3HG1 VAL 68 1.319 1.525 0.160 481 HG21 VAL 68 3HG2 VAL 68 -0.824 4.047 -1.007 482 HG22 VAL 68 1HG2 VAL 68 0.880 3.772 -0.515 483 HG23 VAL 68 2HG2 VAL 68 0.493 3.940 -2.243 484 H SER 69 H SER 69 -3.208 2.148 -1.926 485 HA SER 69 HA SER 69 -2.976 4.837 -2.871 486 HB2 SER 69 1HB SER 69 -4.928 4.957 -4.170 487 HB3 SER 69 2HB SER 69 -4.142 3.487 -4.754 488 HG SER 69 HG SER 69 -6.030 2.692 -4.435 489 H VAL 70 H VAL 70 -4.398 6.264 -1.564 490 HA VAL 70 HA VAL 70 -6.345 5.001 0.086 491 HB VAL 70 HB VAL 70 -4.415 4.784 1.566 492 HG11 VAL 70 1HG1 VAL 70 -4.112 7.814 1.450 493 HG12 VAL 70 2HG1 VAL 70 -3.234 6.696 2.516 494 HG13 VAL 70 3HG1 VAL 70 -2.978 6.614 0.768 495 HG21 VAL 70 3HG2 VAL 70 -6.705 5.311 2.441 496 HG22 VAL 70 1HG2 VAL 70 -5.370 5.738 3.513 497 HG23 VAL 70 2HG2 VAL 70 -6.206 7.014 2.592 498 H TRP 71 H TRP 71 -7.883 6.598 0.763 499 HA TRP 71 HA TRP 71 -7.755 9.176 -0.731 500 HB2 TRP 71 1HB TRP 71 -10.018 7.499 0.405 501 HB3 TRP 71 2HB TRP 71 -10.193 9.137 -0.220 502 HD1 TRP 71 HD TRP 71 -9.540 5.556 -1.460 503 HE1 TRP 71 1HE TRP 71 -9.971 5.443 -3.976 504 HE3 TRP 71 3HE TRP 71 -9.947 10.553 -2.404 505 HZ2 TRP 71 2HZ TRP 71 -10.421 7.321 -6.140 506 HZ3 TRP 71 3HZ TRP 71 -10.285 11.356 -4.721 507 HH2 TRP 71 HH TRP 71 -10.583 9.759 -6.600 508 H THR 72 H THR 72 -7.234 10.923 0.503 509 HA THR 72 HA THR 72 -8.194 11.189 3.185 510 HB THR 72 HB THR 72 -6.120 9.673 3.292 511 HG1 THR 72 1HG THR 72 -5.750 11.950 4.872 512 HG21 THR 72 3HG2 THR 72 -4.675 10.882 1.713 513 HG22 THR 72 1HG2 THR 72 -3.955 10.664 3.314 514 HG23 THR 72 2HG2 THR 72 -4.591 12.247 2.845 515 H GLY 73 H GLY 73 -7.858 13.470 3.861 516 HA2 GLY 73 1HA GLY 73 -7.653 15.738 3.494 517 HA3 GLY 73 2HA GLY 73 -6.166 15.309 2.644 518 H GLY 74 H GLY 74 -9.592 14.646 1.766 519 HA2 GLY 74 1HA GLY 74 -10.877 15.461 0.016 520 HA3 GLY 74 2HA GLY 74 -9.599 16.584 -0.384 521 H ALA 75 H ALA 75 -7.655 14.051 -0.540 522 HA ALA 75 HA ALA 75 -8.166 13.938 -3.454 523 HB1 ALA 75 1HB ALA 75 -5.782 14.225 -3.709 524 HB2 ALA 75 2HB ALA 75 -6.446 15.526 -2.708 525 HB3 ALA 75 3HB ALA 75 -5.557 14.182 -1.946 526 H LEU 76 H LEU 76 -6.992 12.238 -4.676 527 HA LEU 76 HA LEU 76 -6.826 9.656 -3.269 528 HB2 LEU 76 1HB LEU 76 -7.810 9.897 -5.563 529 HB3 LEU 76 2HB LEU 76 -6.333 10.515 -6.160 530 HG LEU 76 HG LEU 76 -5.173 8.436 -5.892 531 HD11 LEU 76 1HD1 LEU 76 -6.341 6.385 -4.935 532 HD12 LEU 76 2HD1 LEU 76 -7.522 7.506 -4.230 533 HD13 LEU 76 3HD1 LEU 76 -5.812 7.595 -3.753 534 HD21 LEU 76 3HD2 LEU 76 -6.475 6.897 -7.264 535 HD22 LEU 76 1HD2 LEU 76 -6.772 8.547 -7.819 536 HD23 LEU 76 2HD2 LEU 76 -7.991 7.740 -6.816 537 H CYS 77 H CYS 77 -4.929 9.649 -2.008 538 HA CYS 77 HA CYS 77 -2.396 10.573 -3.254 539 HB2 CYS 77 1HB CYS 77 -3.194 9.635 -0.440 540 HB3 CYS 77 2HB CYS 77 -1.552 9.861 -0.982 541 HG CYS 77 HG CYS 77 -2.294 11.889 0.546 542 H ARG 78 H ARG 78 -1.333 8.996 -4.363 543 HA ARG 78 HA ARG 78 -1.546 6.272 -3.209 544 HB2 ARG 78 1HB ARG 78 -2.425 5.182 -5.015 545 HB3 ARG 78 2HB ARG 78 -2.987 6.738 -5.456 546 HG2 ARG 78 1HG ARG 78 -2.092 6.052 -7.387 547 HG3 ARG 78 2HG ARG 78 -0.662 6.930 -6.768 548 HD2 ARG 78 1HD ARG 78 0.371 4.862 -6.321 549 HD3 ARG 78 2HD ARG 78 -1.175 3.990 -6.465 550 HE ARG 78 HE ARG 78 -0.844 3.683 -8.604 551 HH11 ARG 78 1HH1 ARG 78 1.234 6.470 -7.824 552 HH12 ARG 78 2HH1 ARG 78 2.066 6.369 -9.352 553 HH21 ARG 78 1HH2 ARG 78 0.478 3.456 -10.487 554 HH22 ARG 78 2HH2 ARG 78 1.828 4.519 -10.691 555 H CYS 79 H CYS 79 0.209 5.016 -3.704 556 HA CYS 79 HA CYS 79 2.446 6.441 -4.899 557 HB2 CYS 79 1HB CYS 79 2.495 6.939 -2.430 558 HB3 CYS 79 2HB CYS 79 2.302 5.279 -1.983 559 HG CYS 79 HG CYS 79 4.858 6.284 -3.840 560 H ASP 80 H ASP 80 4.059 4.932 -5.760 561 HA ASP 80 HA ASP 80 3.430 2.152 -6.054 562 HB2 ASP 80 1HB ASP 80 6.130 3.490 -6.564 563 HB3 ASP 80 2HB ASP 80 5.442 2.064 -7.340 564 H GLY 81 H GLY 81 4.626 0.284 -5.054 565 HA2 GLY 81 1HA GLY 81 6.822 0.866 -3.236 566 HA3 GLY 81 2HA GLY 81 5.377 0.321 -2.455 567 H ARG 82 H ARG 82 6.862 -1.477 -1.823 568 HA ARG 82 HA ARG 82 6.307 -3.734 -3.532 569 HB2 ARG 82 1HB ARG 82 9.044 -3.594 -2.256 570 HB3 ARG 82 2HB ARG 82 8.359 -4.906 -3.221 571 HG2 ARG 82 1HG ARG 82 8.306 -3.265 -5.203 572 HG3 ARG 82 2HG ARG 82 9.313 -2.211 -4.174 573 HD2 ARG 82 1HD ARG 82 10.574 -4.571 -3.785 574 HD3 ARG 82 2HD ARG 82 9.918 -4.903 -5.386 575 HE ARG 82 HE ARG 82 10.999 -2.796 -6.140 576 HH11 ARG 82 1HH1 ARG 82 12.487 -4.748 -3.564 577 HH12 ARG 82 2HH1 ARG 82 13.885 -3.758 -3.418 578 HH21 ARG 82 1HH2 ARG 82 12.953 -1.558 -6.074 579 HH22 ARG 82 2HH2 ARG 82 14.241 -2.071 -4.975 580 H VAL 83 H VAL 83 6.827 -5.865 -2.061 581 HA VAL 83 HA VAL 83 5.505 -5.595 0.467 582 HB VAL 83 HB VAL 83 6.841 -7.828 -1.029 583 HG11 VAL 83 1HG1 VAL 83 5.829 -9.399 0.609 584 HG12 VAL 83 2HG1 VAL 83 7.149 -8.456 1.297 585 HG13 VAL 83 3HG1 VAL 83 5.471 -8.019 1.674 586 HG21 VAL 83 3HG2 VAL 83 3.937 -7.290 -0.265 587 HG22 VAL 83 1HG2 VAL 83 4.663 -6.970 -1.848 588 HG23 VAL 83 2HG2 VAL 83 4.524 -8.632 -1.260 589 H GLU 84 H GLU 84 8.868 -6.171 -0.336 590 HA GLU 84 HA GLU 84 10.806 -6.180 0.746 591 HB2 GLU 84 1HB GLU 84 10.108 -3.963 1.678 592 HB3 GLU 84 2HB GLU 84 9.574 -4.752 3.135 593 HG2 GLU 84 1HG GLU 84 12.344 -5.354 2.062 594 HG3 GLU 84 2HG GLU 84 12.104 -3.797 2.798 595 H THR 85 H THR 85 8.329 -6.922 3.282 596 HA THR 85 HA THR 85 9.636 -9.588 3.627 597 HB THR 85 HB THR 85 8.698 -7.838 5.963 598 HG1 THR 85 1HG THR 85 10.701 -7.055 5.301 599 HG21 THR 85 3HG2 THR 85 9.766 -9.616 7.350 600 HG22 THR 85 1HG2 THR 85 10.063 -10.552 5.860 601 HG23 THR 85 2HG2 THR 85 8.405 -10.224 6.400 602 H LEU 86 H LEU 86 8.134 -11.216 3.711 603 HA LEU 86 HA LEU 86 5.270 -10.406 3.886 604 HB2 LEU 86 1HB LEU 86 6.187 -11.566 1.724 605 HB3 LEU 86 2HB LEU 86 6.245 -13.004 2.722 606 HG LEU 86 HG LEU 86 3.660 -12.144 3.211 607 HD11 LEU 86 1HD1 LEU 86 3.988 -10.169 1.666 608 HD12 LEU 86 2HD1 LEU 86 2.665 -11.225 1.200 609 HD13 LEU 86 3HD1 LEU 86 4.213 -11.293 0.329 610 HD21 LEU 86 3HD2 LEU 86 4.164 -14.360 2.412 611 HD22 LEU 86 1HD2 LEU 86 4.506 -13.742 0.761 612 HD23 LEU 86 2HD2 LEU 86 2.858 -13.632 1.442 613 H ARG 87 H ARG 87 3.925 -12.001 5.178 614 HA ARG 87 HA ARG 87 5.554 -13.602 7.090 615 HB2 ARG 87 1HB ARG 87 5.276 -11.421 8.060 616 HB3 ARG 87 2HB ARG 87 3.543 -11.395 7.723 617 HG2 ARG 87 1HG ARG 87 3.026 -13.035 9.355 618 HG3 ARG 87 2HG ARG 87 4.716 -13.526 9.494 619 HD2 ARG 87 1HD ARG 87 4.957 -10.866 10.162 620 HD3 ARG 87 2HD ARG 87 3.285 -11.141 10.656 621 HE ARG 87 HE ARG 87 4.149 -12.130 12.514 622 HH11 ARG 87 1HH1 ARG 87 6.604 -12.574 9.914 623 HH12 ARG 87 2HH1 ARG 87 7.747 -13.244 10.989 624 HH21 ARG 87 1HH2 ARG 87 5.674 -13.158 13.858 625 HH22 ARG 87 2HH2 ARG 87 7.190 -13.702 13.181 626 H ASP 88 H ASP 88 2.367 -13.082 5.671 627 HA ASP 88 HA ASP 88 2.004 -15.953 5.599 628 HB2 ASP 88 1HB ASP 88 0.234 -14.284 7.355 629 HB3 ASP 88 2HB ASP 88 -0.611 -15.285 6.267 630 H ASP 89 H ASP 89 -0.353 -16.062 4.376 631 HA ASP 89 HA ASP 89 -0.157 -14.454 1.956 632 HB2 ASP 89 1HB ASP 89 -2.114 -16.530 2.994 633 HB3 ASP 89 2HB ASP 89 -2.436 -15.610 1.543 634 H ARG 90 H ARG 90 -1.054 -13.561 4.946 635 HA ARG 90 HA ARG 90 -2.904 -11.494 3.923 636 HB2 ARG 90 1HB ARG 90 -4.280 -11.665 5.950 637 HB3 ARG 90 2HB ARG 90 -4.352 -13.128 4.952 638 HG2 ARG 90 1HG ARG 90 -2.817 -14.275 6.497 639 HG3 ARG 90 2HG ARG 90 -2.659 -12.791 7.457 640 HD2 ARG 90 1HD ARG 90 -4.244 -13.990 8.649 641 HD3 ARG 90 2HD ARG 90 -5.252 -12.920 7.679 642 HE ARG 90 HE ARG 90 -5.509 -14.765 6.044 643 HH11 ARG 90 1HH1 ARG 90 -4.780 -15.749 9.379 644 HH12 ARG 90 2HH1 ARG 90 -4.584 -17.425 8.986 645 HH21 ARG 90 1HH2 ARG 90 -5.189 -16.866 5.520 646 HH22 ARG 90 2HH2 ARG 90 -5.039 -18.113 6.720 647 H GLN 91 H GLN 91 -0.047 -12.090 5.870 648 HA GLN 91 HA GLN 91 -0.302 -9.332 6.882 649 HB2 GLN 91 1HB GLN 91 0.912 -11.696 8.388 650 HB3 GLN 91 2HB GLN 91 1.038 -9.994 8.823 651 HG2 GLN 91 1HG GLN 91 -1.585 -10.023 8.784 652 HG3 GLN 91 2HG GLN 91 -1.413 -11.768 8.850 653 HE21 GLN 91 1HE2 GLN 91 0.278 -9.046 10.601 654 HE22 GLN 91 2HE2 GLN 91 -0.426 -9.468 12.112 655 H PHE 92 H PHE 92 1.484 -8.105 6.460 656 HA PHE 92 HA PHE 92 4.054 -9.146 5.781 657 HB2 PHE 92 1HB PHE 92 3.931 -8.458 3.344 658 HB3 PHE 92 2HB PHE 92 3.164 -9.943 3.789 659 HD1 PHE 92 2HD PHE 92 2.347 -6.392 2.947 660 HD2 PHE 92 1HD PHE 92 0.951 -10.462 3.241 661 HE1 PHE 92 2HE PHE 92 0.299 -5.776 1.733 662 HE2 PHE 92 1HE PHE 92 -1.149 -9.811 2.163 663 HZ PHE 92 HZ PHE 92 -1.499 -7.477 1.374 664 H ALA 93 H ALA 93 5.409 -7.385 4.876 665 HA ALA 93 HA ALA 93 4.723 -4.751 5.986 666 HB1 ALA 93 1HB ALA 93 7.232 -6.229 5.389 667 HB2 ALA 93 2HB ALA 93 7.249 -4.559 4.830 668 HB3 ALA 93 3HB ALA 93 6.924 -4.906 6.533 669 H ILE 94 H ILE 94 5.337 -2.904 4.485 670 HA ILE 94 HA ILE 94 5.822 -3.627 1.741 671 HB ILE 94 HB ILE 94 4.481 -1.593 0.979 672 HG12 ILE 94 1HG1 ILE 94 2.811 -2.061 3.484 673 HG13 ILE 94 2HG1 ILE 94 3.978 -0.758 3.328 674 HG21 ILE 94 1HG2 ILE 94 3.887 -3.967 0.471 675 HG22 ILE 94 2HG2 ILE 94 2.818 -3.978 1.870 676 HG23 ILE 94 3HG2 ILE 94 2.486 -2.897 0.507 677 HD11 ILE 94 3HD1 ILE 94 2.802 0.126 1.365 678 HD12 ILE 94 1HD1 ILE 94 1.545 -1.110 1.546 679 HD13 ILE 94 2HD1 ILE 94 1.789 0.097 2.826 680 H ARG 95 H ARG 95 7.220 -2.213 0.788 681 HA ARG 95 HA ARG 95 8.254 0.117 2.351 682 HB2 ARG 95 1HB ARG 95 10.061 -1.540 1.804 683 HB3 ARG 95 2HB ARG 95 9.641 -1.410 0.098 684 HG2 ARG 95 1HG ARG 95 11.004 0.375 -0.113 685 HG3 ARG 95 2HG ARG 95 10.043 1.279 1.041 686 HD2 ARG 95 1HD ARG 95 12.127 1.411 1.964 687 HD3 ARG 95 2HD ARG 95 11.353 0.122 2.887 688 HE ARG 95 HE ARG 95 12.919 -1.342 2.111 689 HH11 ARG 95 1HH1 ARG 95 13.095 1.593 0.095 690 HH12 ARG 95 2HH1 ARG 95 14.270 0.965 -0.996 691 HH21 ARG 95 1HH2 ARG 95 14.621 -2.125 0.755 692 HH22 ARG 95 2HH2 ARG 95 15.324 -1.147 -0.476 693 H LEU 96 H LEU 96 7.878 2.024 1.527 694 HA LEU 96 HA LEU 96 6.383 2.266 -1.038 695 HB2 LEU 96 1HB LEU 96 7.078 4.356 1.071 696 HB3 LEU 96 2HB LEU 96 5.984 4.565 -0.301 697 HG LEU 96 HG LEU 96 5.613 2.710 2.084 698 HD11 LEU 96 1HD1 LEU 96 4.209 5.262 1.311 699 HD12 LEU 96 2HD1 LEU 96 5.162 4.929 2.778 700 HD13 LEU 96 3HD1 LEU 96 3.601 4.153 2.523 701 HD21 LEU 96 3HD2 LEU 96 3.895 3.048 -0.396 702 HD22 LEU 96 1HD2 LEU 96 3.308 2.335 1.123 703 HD23 LEU 96 2HD2 LEU 96 4.634 1.566 0.261 704 H VAL 97 H VAL 97 7.428 3.195 -2.867 705 HA VAL 97 HA VAL 97 10.154 4.215 -2.430 706 HB VAL 97 HB VAL 97 10.864 2.880 -4.458 707 HG11 VAL 97 1HG1 VAL 97 11.602 2.389 -2.126 708 HG12 VAL 97 2HG1 VAL 97 10.215 1.279 -1.957 709 HG13 VAL 97 3HG1 VAL 97 11.510 0.928 -3.130 710 HG21 VAL 97 3HG2 VAL 97 9.801 0.934 -5.155 711 HG22 VAL 97 1HG2 VAL 97 8.798 0.808 -3.705 712 HG23 VAL 97 2HG2 VAL 97 8.422 2.040 -4.932 713 H GLY 98 H GLY 98 10.932 5.458 -4.188 714 HA2 GLY 98 1HA GLY 98 10.713 7.205 -5.618 715 HA3 GLY 98 2HA GLY 98 9.169 6.551 -6.191 716 H ARG 99 H ARG 99 7.397 7.379 -5.426 717 HA ARG 99 HA ARG 99 7.102 8.970 -3.009 718 HB2 ARG 99 1HB ARG 99 6.703 11.112 -4.166 719 HB3 ARG 99 2HB ARG 99 8.325 10.522 -4.474 720 HG2 ARG 99 1HG ARG 99 7.731 11.236 -6.589 721 HG3 ARG 99 2HG ARG 99 7.293 9.551 -6.705 722 HD2 ARG 99 1HD ARG 99 5.357 10.399 -7.502 723 HD3 ARG 99 2HD ARG 99 4.963 10.470 -5.807 724 HE ARG 99 HE ARG 99 5.219 12.789 -5.786 725 HH11 ARG 99 1HH1 ARG 99 5.856 11.528 -9.086 726 HH12 ARG 99 2HH1 ARG 99 6.200 13.112 -9.727 727 HH21 ARG 99 1HH2 ARG 99 5.289 14.841 -6.768 728 HH22 ARG 99 2HH2 ARG 99 5.656 15.013 -8.450 729 H VAL 100 H VAL 100 5.103 9.994 -2.812 730 HA VAL 100 HA VAL 100 2.781 9.114 -4.233 731 HB VAL 100 HB VAL 100 2.300 8.735 -1.814 732 HG11 VAL 100 1HG1 VAL 100 4.249 9.328 -1.079 733 HG12 VAL 100 2HG1 VAL 100 3.801 11.100 -1.134 734 HG13 VAL 100 3HG1 VAL 100 2.921 9.841 -0.115 735 HG21 VAL 100 3HG2 VAL 100 1.146 11.333 -2.265 736 HG22 VAL 100 1HG2 VAL 100 0.482 9.830 -2.927 737 HG23 VAL 100 2HG2 VAL 100 0.643 10.040 -1.164 738 H ARG 101 H ARG 101 1.356 10.699 -4.909 739 HA ARG 101 HA ARG 101 1.888 13.493 -4.569 740 HB2 ARG 101 1HB ARG 101 1.259 13.966 -6.959 741 HB3 ARG 101 2HB ARG 101 2.893 13.359 -6.756 742 HG2 ARG 101 1HG ARG 101 2.441 11.323 -7.816 743 HG3 ARG 101 2HG ARG 101 0.780 11.316 -7.305 744 HD2 ARG 101 1HD ARG 101 0.577 11.672 -9.589 745 HD3 ARG 101 2HD ARG 101 0.368 13.268 -8.893 746 HE ARG 101 HE ARG 101 2.347 14.008 -9.782 747 HH11 ARG 101 1HH1 ARG 101 1.985 10.523 -10.481 748 HH12 ARG 101 2HH1 ARG 101 3.182 10.580 -11.744 749 HH21 ARG 101 1HH2 ARG 101 3.900 13.988 -11.324 750 HH22 ARG 101 2HH2 ARG 101 4.373 12.536 -12.188 751 H GLU 102 H GLU 102 -0.304 14.629 -5.229 752 HA GLU 102 HA GLU 102 -2.626 12.925 -4.736 753 HB2 GLU 102 1HB GLU 102 -2.404 15.790 -5.804 754 HB3 GLU 102 2HB GLU 102 -3.927 14.904 -5.554 755 HG2 GLU 102 1HG GLU 102 -3.201 14.579 -3.115 756 HG3 GLU 102 2HG GLU 102 -1.866 15.683 -3.447 757 H LEU 103 H LEU 103 -3.776 11.856 -6.283 758 HA LEU 103 HA LEU 103 -3.285 12.521 -9.090 759 HB2 LEU 103 1HB LEU 103 -3.553 10.188 -9.734 760 HB3 LEU 103 2HB LEU 103 -2.012 10.834 -9.233 761 HG LEU 103 HG LEU 103 -3.521 9.702 -6.945 762 HD11 LEU 103 1HD1 LEU 103 -2.621 7.717 -9.046 763 HD12 LEU 103 2HD1 LEU 103 -4.304 8.315 -8.897 764 HD13 LEU 103 3HD1 LEU 103 -3.598 7.472 -7.542 765 HD21 LEU 103 3HD2 LEU 103 -0.730 9.107 -8.065 766 HD22 LEU 103 1HD2 LEU 103 -1.219 8.947 -6.385 767 HD23 LEU 103 2HD2 LEU 103 -1.210 10.552 -7.152 768 H GLN 104 H GLN 104 -5.246 13.763 -8.440 769 HA GLN 104 HA GLN 104 -7.324 14.349 -8.930 770 HB2 GLN 104 1HB GLN 104 -8.249 11.445 -8.964 771 HB3 GLN 104 2HB GLN 104 -9.086 12.891 -9.501 772 HG2 GLN 104 1HG GLN 104 -7.050 13.186 -11.106 773 HG3 GLN 104 2HG GLN 104 -6.757 11.483 -10.756 774 HE21 GLN 104 1HE2 GLN 104 -8.379 9.899 -11.558 775 HE22 GLN 104 2HE2 GLN 104 -9.539 10.396 -12.793 776 H ARG 105 H ARG 105 -9.583 14.170 -7.796 777 HA ARG 105 HA ARG 105 -9.341 13.470 -4.947 778 HB2 ARG 105 1HB ARG 105 -10.516 16.022 -6.148 779 HB3 ARG 105 2HB ARG 105 -10.350 15.665 -4.461 780 HG2 ARG 105 1HG ARG 105 -8.547 16.904 -4.567 781 HG3 ARG 105 2HG ARG 105 -7.693 15.503 -5.166 782 HD2 ARG 105 1HD ARG 105 -7.834 16.296 -7.444 783 HD3 ARG 105 2HD ARG 105 -9.156 17.407 -7.019 784 HE ARG 105 HE ARG 105 -6.667 18.003 -5.636 785 HH11 ARG 105 1HH1 ARG 105 -8.689 18.674 -8.512 786 HH12 ARG 105 2HH1 ARG 105 -8.350 20.371 -8.518 787 HH21 ARG 105 1HH2 ARG 105 -6.057 20.140 -5.789 788 HH22 ARG 105 2HH2 ARG 105 -6.766 21.254 -6.899 789 H ARG 106 H ARG 106 -11.509 13.521 -3.863 790 HA ARG 106 HA ARG 106 -13.534 12.427 -5.758 791 HB2 ARG 106 1HB ARG 106 -12.608 11.490 -3.214 792 HB3 ARG 106 2HB ARG 106 -14.239 12.096 -2.950 793 HG2 ARG 106 1HG ARG 106 -14.936 10.732 -5.027 794 HG3 ARG 106 2HG ARG 106 -13.324 10.007 -4.961 795 HD2 ARG 106 1HD ARG 106 -14.679 8.482 -3.801 796 HD3 ARG 106 2HD ARG 106 -13.886 9.396 -2.504 797 HE ARG 106 HE ARG 106 -16.242 10.789 -2.997 798 HH11 ARG 106 1HH1 ARG 106 -15.418 7.580 -1.708 799 HH12 ARG 106 2HH1 ARG 106 -16.986 7.406 -0.988 800 HH21 ARG 106 1HH2 ARG 106 -18.292 10.419 -2.141 801 HH22 ARG 106 2HH2 ARG 106 -18.577 9.006 -1.159 802 H GLU 107 H GLU 107 -12.870 15.275 -4.186 803 HA GLU 107 HA GLU 107 -15.633 15.995 -3.532 804 HB2 GLU 107 1HB GLU 107 -13.077 17.592 -3.120 805 HB3 GLU 107 2HB GLU 107 -14.708 17.918 -2.486 806 HG2 GLU 107 1HG GLU 107 -14.562 15.512 -1.473 807 HG3 GLU 107 2HG GLU 107 -12.825 15.667 -1.738 808 H TYR 108 H TYR 108 -16.640 16.168 -5.294 809 HA TYR 108 HA TYR 108 -15.820 18.073 -7.458 810 HB2 TYR 108 1HB TYR 108 -17.778 15.735 -7.456 811 HB3 TYR 108 2HB TYR 108 -17.803 17.008 -8.649 812 HD1 TYR 108 2HD TYR 108 -15.120 14.728 -7.191 813 HD2 TYR 108 1HD TYR 108 -16.958 16.454 -10.687 814 HE1 TYR 108 2HE TYR 108 -13.704 13.311 -8.627 815 HE2 TYR 108 1HE TYR 108 -15.573 15.014 -12.139 816 HH TYR 108 HH TYR 108 -12.939 13.462 -11.365 817 H PHE 109 H PHE 109 -16.353 19.840 -6.110 818 HA PHE 109 HA PHE 109 -17.576 21.396 -5.109 819 HB2 PHE 109 1HB PHE 109 -19.609 20.236 -6.994 820 HB3 PHE 109 2HB PHE 109 -20.226 21.151 -5.665 821 HD1 PHE 109 1HD PHE 109 -17.021 21.753 -7.610 822 HD2 PHE 109 2HD PHE 109 -21.012 23.124 -6.706 823 HE1 PHE 109 1HE PHE 109 -16.572 23.856 -8.811 824 HE2 PHE 109 2HE PHE 109 -20.524 25.266 -7.852 825 HZ PHE 109 HZ PHE 109 -18.301 25.638 -8.912 Start of MODEL 14 1 H1 GLY 1 H GLY 1 11.712 17.918 -1.290 2 HA2 GLY 1 1HA GLY 1 14.400 18.601 -2.336 3 HA3 GLY 1 2HA GLY 1 14.106 17.522 -0.956 4 H MET 2 H MET 2 15.473 16.804 -3.398 5 HA MET 2 HA MET 2 14.049 14.344 -3.824 6 HB2 MET 2 1HB MET 2 14.634 16.218 -6.151 7 HB3 MET 2 2HB MET 2 14.707 14.462 -6.339 8 HG2 MET 2 1HG MET 2 12.388 14.384 -5.243 9 HG3 MET 2 2HG MET 2 12.324 16.124 -5.505 10 HE1 MET 2 3HE MET 2 12.350 12.544 -7.127 11 HE2 MET 2 1HE MET 2 12.308 12.905 -8.866 12 HE3 MET 2 2HE MET 2 13.775 13.236 -7.935 13 H SER 3 H SER 3 15.514 13.120 -2.987 14 HA SER 3 HA SER 3 18.342 13.121 -3.603 15 HB2 SER 3 1HB SER 3 19.038 13.932 -1.308 16 HB3 SER 3 2HB SER 3 18.406 15.168 -2.388 17 HG SER 3 HG SER 3 17.486 14.243 -0.011 18 H ALA 4 H ALA 4 16.056 11.346 -3.444 19 HA ALA 4 HA ALA 4 15.487 9.262 -2.986 20 HB1 ALA 4 1HB ALA 4 16.947 7.653 -2.038 21 HB2 ALA 4 2HB ALA 4 17.927 8.738 -3.051 22 HB3 ALA 4 3HB ALA 4 17.962 8.888 -1.277 23 H ASP 5 H ASP 5 16.258 11.312 -0.277 24 HA ASP 5 HA ASP 5 14.935 9.864 1.784 25 HB2 ASP 5 1HB ASP 5 16.599 11.663 2.081 26 HB3 ASP 5 2HB ASP 5 15.439 12.852 1.462 27 H GLY 6 H GLY 6 12.985 10.870 3.000 28 HA2 GLY 6 1HA GLY 6 10.943 12.117 1.294 29 HA3 GLY 6 2HA GLY 6 10.629 10.431 1.758 30 H SER 7 H SER 7 10.081 9.946 3.858 31 HA SER 7 HA SER 7 9.107 10.248 5.873 32 HB2 SER 7 1HB SER 7 11.488 11.348 6.074 33 HB3 SER 7 2HB SER 7 10.535 12.846 6.275 34 HG SER 7 HG SER 7 11.172 11.559 8.204 35 H GLU 8 H GLU 8 7.843 11.578 3.417 36 HA GLU 8 HA GLU 8 5.947 13.363 4.948 37 HB2 GLU 8 1HB GLU 8 5.193 14.153 2.812 38 HB3 GLU 8 2HB GLU 8 6.938 14.365 2.965 39 HG2 GLU 8 1HG GLU 8 5.832 11.952 1.496 40 HG3 GLU 8 2HG GLU 8 5.926 13.504 0.716 41 H TYR 9 H TYR 9 6.369 10.212 3.882 42 HA TYR 9 HA TYR 9 3.878 9.652 2.685 43 HB2 TYR 9 1HB TYR 9 5.340 7.611 4.369 44 HB3 TYR 9 2HB TYR 9 4.375 7.356 2.925 45 HD1 TYR 9 1HD TYR 9 5.500 9.207 0.934 46 HD2 TYR 9 2HD TYR 9 7.517 6.926 3.977 47 HE1 TYR 9 1HE TYR 9 7.589 9.237 -0.419 48 HE2 TYR 9 2HE TYR 9 9.608 7.075 2.690 49 HH TYR 9 HH TYR 9 9.941 9.251 -0.021 50 H GLY 10 H GLY 10 4.816 9.634 6.124 51 HA2 GLY 10 1HA GLY 10 2.329 8.545 7.091 52 HA3 GLY 10 2HA GLY 10 3.644 9.305 7.997 53 H ARG 11 H ARG 11 2.784 11.532 5.605 54 HA ARG 11 HA ARG 11 0.847 12.921 7.333 55 HB2 ARG 11 1HB ARG 11 2.069 13.764 4.658 56 HB3 ARG 11 2HB ARG 11 1.185 14.773 5.781 57 HG2 ARG 11 1HG ARG 11 3.000 14.132 7.515 58 HG3 ARG 11 2HG ARG 11 3.918 13.597 6.097 59 HD2 ARG 11 1HD ARG 11 3.586 15.953 5.158 60 HD3 ARG 11 2HD ARG 11 3.041 16.421 6.779 61 HE ARG 11 HE ARG 11 5.723 16.034 5.882 62 HH11 ARG 11 1HH1 ARG 11 3.886 15.972 8.928 63 HH12 ARG 11 2HH1 ARG 11 5.104 15.127 9.815 64 HH21 ARG 11 1HH2 ARG 11 7.482 15.495 7.170 65 HH22 ARG 11 2HH2 ARG 11 7.333 15.250 8.879 66 H TYR 12 H TYR 12 0.963 10.680 4.715 67 HA TYR 12 HA TYR 12 -1.772 11.337 3.768 68 HB2 TYR 12 1HB TYR 12 0.339 9.634 2.417 69 HB3 TYR 12 2HB TYR 12 -1.049 10.369 1.664 70 HD1 TYR 12 1HD TYR 12 -0.386 13.241 3.053 71 HD2 TYR 12 2HD TYR 12 1.724 10.373 0.666 72 HE1 TYR 12 1HE TYR 12 1.201 14.995 2.408 73 HE2 TYR 12 2HE TYR 12 3.330 12.167 -0.063 74 HH TYR 12 HH TYR 12 3.289 15.446 1.263 75 H PHE 13 H PHE 13 0.423 8.662 4.680 76 HA PHE 13 HA PHE 13 -1.858 6.776 4.962 77 HB2 PHE 13 1HB PHE 13 1.146 6.332 5.252 78 HB3 PHE 13 2HB PHE 13 -0.092 5.088 5.335 79 HD1 PHE 13 2HD PHE 13 -1.406 4.480 3.232 80 HD2 PHE 13 1HD PHE 13 2.014 7.092 3.145 81 HE1 PHE 13 2HE PHE 13 -1.266 4.232 0.781 82 HE2 PHE 13 1HE PHE 13 2.104 6.893 0.684 83 HZ PHE 13 HZ PHE 13 0.405 5.537 -0.508 84 H GLU 14 H GLU 14 -1.809 5.528 7.051 85 HA GLU 14 HA GLU 14 -0.355 6.710 9.331 86 HB2 GLU 14 1HB GLU 14 -2.903 7.636 8.814 87 HB3 GLU 14 2HB GLU 14 -3.263 6.270 9.831 88 HG2 GLU 14 1HG GLU 14 -1.852 7.257 11.599 89 HG3 GLU 14 2HG GLU 14 -1.352 8.561 10.503 90 H GLN 15 H GLN 15 -0.805 5.398 11.266 91 HA GLN 15 HA GLN 15 0.125 2.771 10.589 92 HB2 GLN 15 1HB GLN 15 0.069 2.436 13.051 93 HB3 GLN 15 2HB GLN 15 1.015 3.848 12.476 94 HG2 GLN 15 1HG GLN 15 -1.829 4.136 13.472 95 HG3 GLN 15 2HG GLN 15 -0.539 3.925 14.631 96 HE21 GLN 15 1HE2 GLN 15 -1.286 6.128 15.391 97 HE22 GLN 15 2HE2 GLN 15 -0.880 7.570 14.454 98 H LEU 16 H LEU 16 -3.085 3.798 11.273 99 HA LEU 16 HA LEU 16 -3.861 0.952 11.323 100 HB2 LEU 16 1HB LEU 16 -4.982 3.056 13.152 101 HB3 LEU 16 2HB LEU 16 -5.845 1.582 12.713 102 HG LEU 16 HG LEU 16 -3.513 0.405 13.306 103 HD11 LEU 16 1HD1 LEU 16 -3.304 2.959 14.790 104 HD12 LEU 16 2HD1 LEU 16 -2.155 1.993 13.793 105 HD13 LEU 16 3HD1 LEU 16 -2.591 1.434 15.392 106 HD21 LEU 16 3HD2 LEU 16 -4.291 -0.069 15.513 107 HD22 LEU 16 1HD2 LEU 16 -5.665 -0.080 14.384 108 HD23 LEU 16 2HD2 LEU 16 -5.398 1.329 15.463 109 H GLN 17 H GLN 17 -3.557 3.171 9.373 110 HA GLN 17 HA GLN 17 -6.232 3.887 8.329 111 HB2 GLN 17 1HB GLN 17 -3.602 4.889 8.112 112 HB3 GLN 17 2HB GLN 17 -3.957 4.360 6.495 113 HG2 GLN 17 1HG GLN 17 -6.101 5.990 7.880 114 HG3 GLN 17 2HG GLN 17 -4.573 6.814 7.601 115 HE21 GLN 17 1HE2 GLN 17 -4.189 7.731 5.579 116 HE22 GLN 17 2HE2 GLN 17 -4.961 7.158 4.165 117 H LYS 18 H LYS 18 -6.189 3.570 5.634 118 HA LYS 18 HA LYS 18 -5.930 0.608 5.277 119 HB2 LYS 18 1HB LYS 18 -8.128 2.534 4.414 120 HB3 LYS 18 2HB LYS 18 -7.854 0.974 3.643 121 HG2 LYS 18 1HG LYS 18 -9.210 0.075 5.211 122 HG3 LYS 18 2HG LYS 18 -7.833 0.228 6.280 123 HD2 LYS 18 1HD LYS 18 -9.284 1.199 7.591 124 HD3 LYS 18 2HD LYS 18 -8.765 2.658 6.771 125 HE2 LYS 18 1HE LYS 18 -11.168 0.978 5.901 126 HE3 LYS 18 2HE LYS 18 -11.247 2.309 7.095 127 HZ1 LYS 18 3HZ LYS 18 -10.291 3.700 5.230 128 HZ2 LYS 18 1HZ LYS 18 -11.858 3.272 5.126 129 HZ3 LYS 18 2HZ LYS 18 -10.743 2.457 4.228 130 H VAL 19 H VAL 19 -5.404 -0.146 3.193 131 HA VAL 19 HA VAL 19 -4.650 1.809 1.102 132 HB VAL 19 HB VAL 19 -2.490 0.788 0.775 133 HG11 VAL 19 1HG1 VAL 19 -2.783 2.939 2.000 134 HG12 VAL 19 2HG1 VAL 19 -2.734 2.080 3.524 135 HG13 VAL 19 3HG1 VAL 19 -1.306 2.057 2.453 136 HG21 VAL 19 3HG2 VAL 19 -1.323 -0.429 2.540 137 HG22 VAL 19 1HG2 VAL 19 -2.790 -0.467 3.535 138 HG23 VAL 19 2HG2 VAL 19 -2.730 -1.355 2.001 139 H ASN 20 H ASN 20 -4.987 0.956 -0.897 140 HA ASN 20 HA ASN 20 -6.235 -1.548 -1.397 141 HB2 ASN 20 1HB ASN 20 -6.109 0.696 -2.755 142 HB3 ASN 20 2HB ASN 20 -4.559 0.106 -3.323 143 HD21 ASN 20 1HD2 ASN 20 -7.274 -2.294 -2.949 144 HD22 ASN 20 2HD2 ASN 20 -7.671 -2.188 -4.636 145 H LEU 21 H LEU 21 -5.282 -3.334 -2.607 146 HA LEU 21 HA LEU 21 -2.361 -3.782 -2.171 147 HB2 LEU 21 1HB LEU 21 -4.546 -5.833 -1.847 148 HB3 LEU 21 2HB LEU 21 -2.815 -6.018 -1.543 149 HG LEU 21 HG LEU 21 -4.713 -4.265 0.049 150 HD11 LEU 21 1HD1 LEU 21 -3.459 -6.987 0.655 151 HD12 LEU 21 2HD1 LEU 21 -5.167 -6.697 0.223 152 HD13 LEU 21 3HD1 LEU 21 -4.506 -6.041 1.720 153 HD21 LEU 21 3HD2 LEU 21 -2.874 -4.132 1.698 154 HD22 LEU 21 1HD2 LEU 21 -2.336 -3.461 0.157 155 HD23 LEU 21 2HD2 LEU 21 -1.823 -5.091 0.640 156 H THR 22 H THR 22 -2.736 -2.834 -4.608 157 HA THR 22 HA THR 22 -3.548 -4.923 -6.466 158 HB THR 22 HB THR 22 -1.800 -2.525 -7.059 159 HG1 THR 22 1HG THR 22 -4.633 -2.584 -7.103 160 HG21 THR 22 3HG2 THR 22 -2.052 -4.201 -8.866 161 HG22 THR 22 1HG2 THR 22 -2.920 -2.716 -9.288 162 HG23 THR 22 2HG2 THR 22 -3.815 -4.152 -8.715 163 H VAL 23 H VAL 23 -2.164 -6.563 -7.134 164 HA VAL 23 HA VAL 23 0.788 -6.285 -6.629 165 HB VAL 23 HB VAL 23 -0.880 -8.825 -6.318 166 HG11 VAL 23 1HG1 VAL 23 1.195 -9.860 -5.528 167 HG12 VAL 23 2HG1 VAL 23 1.455 -9.195 -7.130 168 HG13 VAL 23 3HG1 VAL 23 2.066 -8.336 -5.722 169 HG21 VAL 23 3HG2 VAL 23 0.516 -7.316 -4.081 170 HG22 VAL 23 1HG2 VAL 23 -1.249 -7.353 -4.357 171 HG23 VAL 23 2HG2 VAL 23 -0.373 -8.838 -3.963 172 H ARG 24 H ARG 24 1.891 -6.605 -8.672 173 HA ARG 24 HA ARG 24 0.330 -7.414 -10.986 174 HB2 ARG 24 1HB ARG 24 2.093 -5.994 -11.383 175 HB3 ARG 24 2HB ARG 24 3.280 -6.933 -10.432 176 HG2 ARG 24 1HG ARG 24 3.055 -8.712 -12.223 177 HG3 ARG 24 2HG ARG 24 2.103 -7.548 -13.167 178 HD2 ARG 24 1HD ARG 24 4.080 -5.996 -13.063 179 HD3 ARG 24 2HD ARG 24 4.994 -7.250 -12.224 180 HE ARG 24 HE ARG 24 4.127 -7.159 -15.043 181 HH11 ARG 24 1HH1 ARG 24 5.753 -9.174 -12.563 182 HH12 ARG 24 2HH1 ARG 24 6.282 -10.346 -13.712 183 HH21 ARG 24 1HH2 ARG 24 5.141 -8.575 -16.553 184 HH22 ARG 24 2HH2 ARG 24 5.830 -10.066 -15.996 185 H LEU 25 H LEU 25 -0.432 -9.628 -11.153 186 HA LEU 25 HA LEU 25 1.651 -11.673 -10.701 187 HB2 LEU 25 1HB LEU 25 -1.353 -11.986 -10.851 188 HB3 LEU 25 2HB LEU 25 -0.139 -13.212 -10.664 189 HG LEU 25 HG LEU 25 -0.962 -12.963 -8.741 190 HD11 LEU 25 1HD1 LEU 25 1.471 -12.807 -8.334 191 HD12 LEU 25 2HD1 LEU 25 0.585 -11.968 -7.038 192 HD13 LEU 25 3HD1 LEU 25 1.337 -11.045 -8.317 193 HD21 LEU 25 3HD2 LEU 25 -2.434 -11.376 -8.683 194 HD22 LEU 25 1HD2 LEU 25 -1.174 -10.122 -8.388 195 HD23 LEU 25 2HD2 LEU 25 -1.529 -11.344 -7.195 196 H GLY 26 H GLY 26 2.552 -10.738 -12.715 197 HA2 GLY 26 1HA GLY 26 2.972 -11.075 -14.971 198 HA3 GLY 26 2HA GLY 26 1.629 -12.228 -15.016 199 H ASP 27 H ASP 27 0.784 -11.386 -16.956 200 HA ASP 27 HA ASP 27 0.231 -8.473 -17.155 201 HB2 ASP 27 1HB ASP 27 0.327 -10.581 -19.336 202 HB3 ASP 27 2HB ASP 27 0.308 -8.824 -19.537 203 H THR 28 H THR 28 -1.501 -11.426 -16.791 204 HA THR 28 HA THR 28 -4.041 -10.164 -17.651 205 HB THR 28 HB THR 28 -3.737 -13.117 -17.857 206 HG1 THR 28 1HG THR 28 -2.646 -11.785 -20.017 207 HG21 THR 28 3HG2 THR 28 -4.910 -12.771 -19.967 208 HG22 THR 28 1HG2 THR 28 -4.712 -11.010 -19.824 209 HG23 THR 28 2HG2 THR 28 -5.737 -11.890 -18.671 210 H GLY 29 H GLY 29 -2.551 -10.828 -14.865 211 HA2 GLY 29 1HA GLY 29 -4.888 -12.189 -13.579 212 HA3 GLY 29 2HA GLY 29 -3.168 -12.361 -13.067 213 H SER 30 H SER 30 -2.184 -10.934 -12.119 214 HA SER 30 HA SER 30 -1.966 -9.778 -10.295 215 HB2 SER 30 1HB SER 30 -3.723 -7.596 -11.578 216 HB3 SER 30 2HB SER 30 -2.600 -7.351 -10.321 217 HG SER 30 HG SER 30 -1.501 -6.873 -12.206 218 H PHE 31 H PHE 31 -3.002 -8.641 -8.494 219 HA PHE 31 HA PHE 31 -5.697 -9.673 -7.870 220 HB2 PHE 31 1HB PHE 31 -3.912 -11.148 -6.830 221 HB3 PHE 31 2HB PHE 31 -3.187 -9.736 -6.098 222 HD1 PHE 31 1HD PHE 31 -6.387 -11.686 -6.251 223 HD2 PHE 31 2HD PHE 31 -3.947 -8.954 -3.984 224 HE1 PHE 31 1HE PHE 31 -8.045 -11.752 -4.394 225 HE2 PHE 31 2HE PHE 31 -5.651 -8.995 -2.137 226 HZ PHE 31 HZ PHE 31 -7.691 -10.356 -2.370 227 H ASP 32 H ASP 32 -6.844 -8.066 -6.563 228 HA ASP 32 HA ASP 32 -5.342 -5.830 -5.591 229 HB2 ASP 32 1HB ASP 32 -6.680 -4.280 -6.450 230 HB3 ASP 32 2HB ASP 32 -6.296 -5.230 -7.862 231 H GLY 33 H GLY 33 -5.881 -5.501 -3.604 232 HA2 GLY 33 1HA GLY 33 -8.431 -6.540 -2.426 233 HA3 GLY 33 2HA GLY 33 -6.843 -7.069 -1.828 234 H THR 34 H THR 34 -7.950 -6.065 0.219 235 HA THR 34 HA THR 34 -7.003 -3.272 0.492 236 HB THR 34 HB THR 34 -9.360 -4.025 2.156 237 HG1 THR 34 1HG THR 34 -10.025 -4.950 0.199 238 HG21 THR 34 3HG2 THR 34 -8.433 -1.770 2.210 239 HG22 THR 34 1HG2 THR 34 -10.068 -1.720 1.593 240 HG23 THR 34 2HG2 THR 34 -8.700 -1.590 0.463 241 H ALA 35 H ALA 35 -5.950 -2.888 2.495 242 HA ALA 35 HA ALA 35 -6.355 -4.906 4.600 243 HB1 ALA 35 1HB ALA 35 -3.616 -3.855 3.785 244 HB2 ALA 35 2HB ALA 35 -3.979 -4.732 5.283 245 HB3 ALA 35 3HB ALA 35 -4.148 -5.557 3.737 246 H ALA 36 H ALA 36 -6.083 -4.059 6.681 247 HA ALA 36 HA ALA 36 -5.983 -1.122 6.992 248 HB1 ALA 36 1HB ALA 36 -6.191 -1.648 9.379 249 HB2 ALA 36 2HB ALA 36 -7.501 -2.426 8.465 250 HB3 ALA 36 3HB ALA 36 -6.124 -3.390 9.028 251 H ILE 37 H ILE 37 -4.121 -0.186 7.688 252 HA ILE 37 HA ILE 37 -1.576 -1.595 7.734 253 HB ILE 37 HB ILE 37 -2.328 1.312 8.346 254 HG12 ILE 37 1HG1 ILE 37 -0.960 0.010 5.940 255 HG13 ILE 37 2HG1 ILE 37 -2.586 0.672 5.934 256 HG21 ILE 37 1HG2 ILE 37 0.051 1.817 8.341 257 HG22 ILE 37 2HG2 ILE 37 -0.265 0.654 9.554 258 HG23 ILE 37 3HG2 ILE 37 0.448 0.093 8.035 259 HD11 ILE 37 3HD1 ILE 37 -0.955 2.136 4.814 260 HD12 ILE 37 1HD1 ILE 37 -1.744 2.942 6.181 261 HD13 ILE 37 2HD1 ILE 37 -0.060 2.351 6.289 262 H THR 38 H THR 38 -0.394 -1.632 9.739 263 HA THR 38 HA THR 38 -1.984 -1.600 12.255 264 HB THR 38 HB THR 38 -0.832 -3.776 12.816 265 HG1 THR 38 1HG THR 38 -0.103 -3.703 10.072 266 HG21 THR 38 3HG2 THR 38 -3.103 -3.731 11.740 267 HG22 THR 38 1HG2 THR 38 -2.158 -5.189 11.403 268 HG23 THR 38 2HG2 THR 38 -2.326 -3.950 10.155 269 H SER 39 H SER 39 0.973 -0.880 10.610 270 HA SER 39 HA SER 39 1.851 0.739 12.793 271 HB2 SER 39 1HB SER 39 3.537 -1.635 11.873 272 HB3 SER 39 2HB SER 39 4.187 -0.249 12.776 273 HG SER 39 HG SER 39 1.954 -1.562 13.806 274 H LEU 40 H LEU 40 3.308 2.344 11.894 275 HA LEU 40 HA LEU 40 4.064 2.139 9.063 276 HB2 LEU 40 1HB LEU 40 1.861 3.146 8.844 277 HB3 LEU 40 2HB LEU 40 2.211 4.266 10.154 278 HG LEU 40 HG LEU 40 4.033 5.308 8.713 279 HD11 LEU 40 1HD1 LEU 40 4.338 3.388 7.116 280 HD12 LEU 40 2HD1 LEU 40 4.007 4.914 6.310 281 HD13 LEU 40 3HD1 LEU 40 2.713 3.711 6.474 282 HD21 LEU 40 3HD2 LEU 40 1.176 5.289 7.701 283 HD22 LEU 40 1HD2 LEU 40 2.413 6.466 7.231 284 HD23 LEU 40 2HD2 LEU 40 1.889 6.383 8.923 285 H LYS 41 H LYS 41 6.069 2.758 8.987 286 HA LYS 41 HA LYS 41 7.206 4.707 10.914 287 HB2 LYS 41 1HB LYS 41 7.486 2.253 11.584 288 HB3 LYS 41 2HB LYS 41 8.416 2.025 10.108 289 HG2 LYS 41 1HG LYS 41 9.919 3.994 11.061 290 HG3 LYS 41 2HG LYS 41 9.068 3.652 12.584 291 HD2 LYS 41 1HD LYS 41 9.703 1.164 12.081 292 HD3 LYS 41 2HD LYS 41 10.873 1.859 10.944 293 HE2 LYS 41 1HE LYS 41 11.792 3.193 12.915 294 HE3 LYS 41 2HE LYS 41 10.686 2.284 13.953 295 HZ1 LYS 41 3HZ LYS 41 12.834 1.143 12.292 296 HZ2 LYS 41 1HZ LYS 41 11.730 0.243 13.080 297 HZ3 LYS 41 2HZ LYS 41 12.772 1.143 13.955 298 H GLY 42 H GLY 42 6.838 6.062 8.901 299 HA2 GLY 42 1HA GLY 42 7.743 7.192 7.100 300 HA3 GLY 42 2HA GLY 42 9.288 6.394 7.453 301 H SER 43 H SER 43 10.019 5.178 5.698 302 HA SER 43 HA SER 43 8.202 4.450 3.530 303 HB2 SER 43 1HB SER 43 10.217 3.725 2.397 304 HB3 SER 43 2HB SER 43 10.440 5.338 3.040 305 HG SER 43 HG SER 43 11.433 2.960 4.194 306 H LEU 44 H LEU 44 7.529 3.081 6.014 307 HA LEU 44 HA LEU 44 7.626 0.410 4.960 308 HB2 LEU 44 1HB LEU 44 9.689 0.918 6.624 309 HB3 LEU 44 2HB LEU 44 8.470 0.588 7.843 310 HG LEU 44 HG LEU 44 9.852 -1.177 5.900 311 HD11 LEU 44 1HD1 LEU 44 9.997 -2.670 7.741 312 HD12 LEU 44 2HD1 LEU 44 8.654 -1.870 8.584 313 HD13 LEU 44 3HD1 LEU 44 10.232 -1.057 8.419 314 HD21 LEU 44 3HD2 LEU 44 8.343 -2.998 5.970 315 HD22 LEU 44 1HD2 LEU 44 7.760 -1.688 4.978 316 HD23 LEU 44 2HD2 LEU 44 7.052 -1.944 6.609 317 H ALA 45 H ALA 45 5.544 -0.340 5.294 318 HA ALA 45 HA ALA 45 4.172 0.435 7.803 319 HB1 ALA 45 1HB ALA 45 2.148 0.952 6.783 320 HB2 ALA 45 2HB ALA 45 3.280 1.666 5.625 321 HB3 ALA 45 3HB ALA 45 2.540 0.095 5.289 322 H TRP 46 H TRP 46 2.552 -1.256 8.384 323 HA TRP 46 HA TRP 46 3.042 -3.928 7.118 324 HB2 TRP 46 1HB TRP 46 3.167 -3.083 10.007 325 HB3 TRP 46 2HB TRP 46 2.528 -4.668 9.600 326 HD1 TRP 46 HD TRP 46 5.772 -2.662 9.155 327 HE1 TRP 46 1HE TRP 46 7.747 -4.341 9.027 328 HE3 TRP 46 3HE TRP 46 3.146 -7.059 8.883 329 HZ2 TRP 46 2HZ TRP 46 8.121 -7.129 8.791 330 HZ3 TRP 46 3HZ TRP 46 4.347 -9.206 8.591 331 HH2 TRP 46 HH TRP 46 6.842 -9.261 8.575 332 H LEU 47 H LEU 47 1.273 -5.286 6.986 333 HA LEU 47 HA LEU 47 -1.338 -3.972 7.305 334 HB2 LEU 47 1HB LEU 47 -0.257 -6.067 5.356 335 HB3 LEU 47 2HB LEU 47 -1.882 -5.468 5.348 336 HG LEU 47 HG LEU 47 -0.923 -4.362 3.637 337 HD11 LEU 47 1HD1 LEU 47 -0.865 -1.996 4.154 338 HD12 LEU 47 2HD1 LEU 47 -0.561 -2.321 5.858 339 HD13 LEU 47 3HD1 LEU 47 -2.123 -2.759 5.146 340 HD21 LEU 47 3HD2 LEU 47 1.464 -4.881 4.161 341 HD22 LEU 47 1HD2 LEU 47 1.514 -3.414 5.152 342 HD23 LEU 47 2HD2 LEU 47 1.143 -3.315 3.418 343 H GLU 48 H GLU 48 -3.236 -5.508 7.299 344 HA GLU 48 HA GLU 48 -2.735 -8.242 8.278 345 HB2 GLU 48 1HB GLU 48 -4.383 -7.975 10.114 346 HB3 GLU 48 2HB GLU 48 -3.044 -6.871 10.323 347 HG2 GLU 48 1HG GLU 48 -4.348 -4.980 9.569 348 HG3 GLU 48 2HG GLU 48 -5.610 -6.026 8.955 349 H LEU 49 H LEU 49 -3.752 -7.151 5.734 350 HA LEU 49 HA LEU 49 -5.548 -7.162 4.310 351 HB2 LEU 49 1HB LEU 49 -5.487 -9.798 5.686 352 HB3 LEU 49 2HB LEU 49 -6.973 -9.481 4.869 353 HG LEU 49 HG LEU 49 -4.197 -9.460 3.654 354 HD11 LEU 49 1HD1 LEU 49 -5.682 -11.631 4.286 355 HD12 LEU 49 2HD1 LEU 49 -4.749 -11.567 2.758 356 HD13 LEU 49 3HD1 LEU 49 -6.487 -11.217 2.816 357 HD21 LEU 49 3HD2 LEU 49 -5.572 -7.851 2.382 358 HD22 LEU 49 1HD2 LEU 49 -6.918 -8.989 2.338 359 HD23 LEU 49 2HD2 LEU 49 -5.418 -9.326 1.435 360 H PHE 50 H PHE 50 -8.131 -7.873 4.281 361 HA PHE 50 HA PHE 50 -9.502 -6.831 6.682 362 HB2 PHE 50 1HB PHE 50 -9.636 -5.699 3.938 363 HB3 PHE 50 2HB PHE 50 -11.200 -6.165 4.557 364 HD1 PHE 50 1HD PHE 50 -12.208 -5.077 6.561 365 HD2 PHE 50 2HD PHE 50 -8.360 -3.893 5.032 366 HE1 PHE 50 1HE PHE 50 -12.345 -2.965 7.830 367 HE2 PHE 50 2HE PHE 50 -8.477 -1.832 6.306 368 HZ PHE 50 HZ PHE 50 -10.478 -1.320 7.729 369 H GLY 51 H GLY 51 -11.328 -7.984 7.194 370 HA2 GLY 51 1HA GLY 51 -13.149 -9.346 7.012 371 HA3 GLY 51 2HA GLY 51 -13.124 -8.963 5.295 372 H ALA 52 H ALA 52 -12.777 -10.555 3.941 373 HA ALA 52 HA ALA 52 -11.300 -13.005 4.659 374 HB1 ALA 52 1HB ALA 52 -13.167 -14.426 3.949 375 HB2 ALA 52 2HB ALA 52 -13.655 -13.417 5.319 376 HB3 ALA 52 3HB ALA 52 -14.170 -12.980 3.657 377 H GLU 53 H GLU 53 -11.426 -10.547 2.693 378 HA GLU 53 HA GLU 53 -11.155 -11.952 0.097 379 HB2 GLU 53 1HB GLU 53 -10.328 -9.687 -0.679 380 HB3 GLU 53 2HB GLU 53 -12.038 -9.755 -0.233 381 HG2 GLU 53 1HG GLU 53 -11.557 -8.858 1.939 382 HG3 GLU 53 2HG GLU 53 -9.856 -8.801 1.666 383 H GLN 54 H GLN 54 -9.136 -12.171 -0.694 384 HA GLN 54 HA GLN 54 -6.663 -11.611 0.543 385 HB2 GLN 54 1HB GLN 54 -6.050 -13.846 1.454 386 HB3 GLN 54 2HB GLN 54 -7.381 -13.083 2.272 387 HG2 GLN 54 1HG GLN 54 -8.913 -14.578 0.781 388 HG3 GLN 54 2HG GLN 54 -7.447 -15.533 0.583 389 HE21 GLN 54 1HE2 GLN 54 -6.468 -16.499 2.593 390 HE22 GLN 54 2HE2 GLN 54 -7.524 -16.691 3.993 391 HA PRO 55 HA PRO 55 -5.229 -12.782 -3.417 392 HB2 PRO 55 1HB PRO 55 -2.549 -13.506 -2.750 393 HB3 PRO 55 2HB PRO 55 -3.149 -11.901 -3.186 394 HG2 PRO 55 1HG PRO 55 -2.464 -13.026 -0.525 395 HG3 PRO 55 2HG PRO 55 -2.577 -11.306 -1.041 396 HD2 PRO 55 1HD PRO 55 -4.422 -12.666 0.540 397 HD3 PRO 55 2HD PRO 55 -4.729 -11.144 -0.337 398 HA PRO 56 HA PRO 56 -4.911 -17.268 -3.870 399 HB2 PRO 56 1HB PRO 56 -3.132 -17.623 -5.927 400 HB3 PRO 56 2HB PRO 56 -4.797 -17.024 -6.181 401 HG2 PRO 56 1HG PRO 56 -2.267 -15.404 -5.881 402 HG3 PRO 56 2HG PRO 56 -3.493 -15.238 -7.163 403 HD2 PRO 56 1HD PRO 56 -3.413 -13.631 -4.992 404 HD3 PRO 56 2HD PRO 56 -4.966 -14.146 -5.689 405 HA PRO 57 HA PRO 57 -1.260 -18.124 -1.405 406 HB2 PRO 57 1HB PRO 57 -1.051 -20.839 -1.546 407 HB3 PRO 57 2HB PRO 57 -2.430 -20.022 -0.757 408 HG2 PRO 57 1HG PRO 57 -2.294 -21.113 -3.594 409 HG3 PRO 57 2HG PRO 57 -3.558 -21.416 -2.363 410 HD2 PRO 57 1HD PRO 57 -3.829 -19.494 -4.279 411 HD3 PRO 57 2HD PRO 57 -4.475 -19.262 -2.632 412 H ASN 58 H ASN 58 0.967 -19.200 -1.571 413 HA ASN 58 HA ASN 58 2.974 -19.202 -2.406 414 HB2 ASN 58 1HB ASN 58 3.552 -20.612 -4.168 415 HB3 ASN 58 2HB ASN 58 2.162 -21.322 -3.364 416 HD21 ASN 58 1HD2 ASN 58 0.868 -22.324 -4.910 417 HD22 ASN 58 2HD2 ASN 58 0.564 -21.641 -6.507 418 H THR 59 H THR 59 0.888 -17.090 -3.727 419 HA THR 59 HA THR 59 2.474 -16.291 -6.024 420 HB THR 59 HB THR 59 -0.311 -15.597 -4.976 421 HG1 THR 59 1HG THR 59 -0.078 -17.777 -5.654 422 HG21 THR 59 3HG2 THR 59 0.076 -13.881 -6.396 423 HG22 THR 59 1HG2 THR 59 -0.708 -15.033 -7.464 424 HG23 THR 59 2HG2 THR 59 1.057 -14.836 -7.543 425 H LEU 60 H LEU 60 1.900 -15.068 -2.765 426 HA LEU 60 HA LEU 60 2.901 -12.357 -3.432 427 HB2 LEU 60 1HB LEU 60 2.124 -13.740 -0.840 428 HB3 LEU 60 2HB LEU 60 2.981 -12.218 -0.885 429 HG LEU 60 HG LEU 60 0.263 -12.667 -2.173 430 HD11 LEU 60 1HD1 LEU 60 -0.557 -11.198 -0.347 431 HD12 LEU 60 2HD1 LEU 60 1.043 -11.205 0.375 432 HD13 LEU 60 3HD1 LEU 60 0.113 -12.722 0.279 433 HD21 LEU 60 3HD2 LEU 60 1.436 -10.845 -3.332 434 HD22 LEU 60 1HD2 LEU 60 1.971 -10.167 -1.773 435 HD23 LEU 60 2HD2 LEU 60 0.262 -10.136 -2.212 436 H SER 61 H SER 61 5.063 -11.672 -2.844 437 HA SER 61 HA SER 61 6.869 -13.641 -1.662 438 HB2 SER 61 1HB SER 61 7.816 -12.048 -4.018 439 HB3 SER 61 2HB SER 61 8.379 -13.584 -3.383 440 HG SER 61 HG SER 61 6.533 -14.582 -4.327 441 H GLU 62 H GLU 62 8.885 -12.445 -0.922 442 HA GLU 62 HA GLU 62 8.041 -10.132 0.439 443 HB2 GLU 62 1HB GLU 62 10.951 -11.017 0.106 444 HB3 GLU 62 2HB GLU 62 10.248 -10.141 1.472 445 HG2 GLU 62 1HG GLU 62 8.853 -12.216 1.947 446 HG3 GLU 62 2HG GLU 62 9.825 -13.071 0.735 447 H GLY 63 H GLY 63 8.890 -10.102 -2.689 448 HA2 GLY 63 1HA GLY 63 9.410 -7.216 -2.663 449 HA3 GLY 63 2HA GLY 63 10.587 -8.227 -3.524 450 H ALA 64 H ALA 64 7.065 -8.844 -3.172 451 HA ALA 64 HA ALA 64 6.517 -8.852 -6.040 452 HB1 ALA 64 1HB ALA 64 4.578 -8.351 -3.735 453 HB2 ALA 64 2HB ALA 64 4.226 -9.009 -5.330 454 HB3 ALA 64 3HB ALA 64 5.147 -9.966 -4.138 455 H GLU 65 H GLU 65 5.953 -7.062 -7.296 456 HA GLU 65 HA GLU 65 6.281 -4.397 -6.118 457 HB2 GLU 65 1HB GLU 65 5.926 -3.566 -8.377 458 HB3 GLU 65 2HB GLU 65 7.288 -4.656 -8.302 459 HG2 GLU 65 1HG GLU 65 6.083 -6.381 -9.470 460 HG3 GLU 65 2HG GLU 65 4.551 -5.538 -9.289 461 H VAL 66 H VAL 66 4.614 -3.368 -5.380 462 HA VAL 66 HA VAL 66 1.876 -4.266 -6.007 463 HB VAL 66 HB VAL 66 1.228 -4.346 -3.701 464 HG11 VAL 66 1HG1 VAL 66 3.866 -5.845 -3.780 465 HG12 VAL 66 2HG1 VAL 66 2.389 -6.267 -2.897 466 HG13 VAL 66 3HG1 VAL 66 2.428 -6.359 -4.671 467 HG21 VAL 66 3HG2 VAL 66 4.024 -3.369 -3.021 468 HG22 VAL 66 1HG2 VAL 66 2.448 -2.605 -2.666 469 HG23 VAL 66 2HG2 VAL 66 2.911 -4.091 -1.844 470 H SER 67 H SER 67 0.359 -2.628 -6.111 471 HA SER 67 HA SER 67 1.357 0.144 -5.723 472 HB2 SER 67 1HB SER 67 -1.274 -0.081 -6.908 473 HB3 SER 67 2HB SER 67 0.132 0.799 -7.433 474 HG SER 67 HG SER 67 0.919 -1.241 -8.309 475 H VAL 68 H VAL 68 0.517 1.309 -4.038 476 HA VAL 68 HA VAL 68 -1.709 0.182 -2.438 477 HB VAL 68 HB VAL 68 -1.046 1.505 -0.727 478 HG11 VAL 68 1HG1 VAL 68 0.641 -0.293 -0.978 479 HG12 VAL 68 2HG1 VAL 68 1.707 0.855 -1.830 480 HG13 VAL 68 3HG1 VAL 68 1.252 1.140 -0.146 481 HG21 VAL 68 3HG2 VAL 68 0.619 3.274 -0.696 482 HG22 VAL 68 1HG2 VAL 68 0.403 3.313 -2.464 483 HG23 VAL 68 2HG2 VAL 68 -1.001 3.564 -1.380 484 H SER 69 H SER 69 -3.610 1.637 -2.197 485 HA SER 69 HA SER 69 -3.162 4.330 -3.071 486 HB2 SER 69 1HB SER 69 -5.048 4.545 -4.531 487 HB3 SER 69 2HB SER 69 -4.103 3.167 -5.113 488 HG SER 69 HG SER 69 -6.354 2.707 -5.053 489 H VAL 70 H VAL 70 -4.427 5.839 -1.903 490 HA VAL 70 HA VAL 70 -6.439 4.803 -0.046 491 HB VAL 70 HB VAL 70 -4.328 4.469 1.121 492 HG11 VAL 70 1HG1 VAL 70 -3.807 7.459 0.804 493 HG12 VAL 70 2HG1 VAL 70 -2.915 6.357 1.857 494 HG13 VAL 70 3HG1 VAL 70 -2.846 6.134 0.096 495 HG21 VAL 70 3HG2 VAL 70 -4.864 5.536 3.127 496 HG22 VAL 70 1HG2 VAL 70 -5.735 6.875 2.332 497 HG23 VAL 70 2HG2 VAL 70 -6.402 5.223 2.332 498 H TRP 71 H TRP 71 -7.772 6.461 0.754 499 HA TRP 71 HA TRP 71 -7.777 8.964 -0.809 500 HB2 TRP 71 1HB TRP 71 -9.848 7.626 0.971 501 HB3 TRP 71 2HB TRP 71 -10.027 9.213 0.229 502 HD1 TRP 71 HD TRP 71 -10.073 5.512 -0.614 503 HE1 TRP 71 1HE TRP 71 -10.799 5.131 -3.031 504 HE3 TRP 71 3HE TRP 71 -10.011 10.351 -2.216 505 HZ2 TRP 71 2HZ TRP 71 -11.271 6.743 -5.396 506 HZ3 TRP 71 3HZ TRP 71 -10.482 10.901 -4.576 507 HH2 TRP 71 HH TRP 71 -11.119 9.110 -6.187 508 H THR 72 H THR 72 -6.797 10.675 0.114 509 HA THR 72 HA THR 72 -7.108 11.263 2.927 510 HB THR 72 HB THR 72 -5.174 9.748 2.975 511 HG1 THR 72 1HG THR 72 -4.769 11.065 4.504 512 HG21 THR 72 3HG2 THR 72 -3.122 10.159 1.908 513 HG22 THR 72 1HG2 THR 72 -3.622 11.744 1.280 514 HG23 THR 72 2HG2 THR 72 -4.314 10.232 0.626 515 H GLY 73 H GLY 73 -5.914 13.543 3.234 516 HA2 GLY 73 1HA GLY 73 -6.454 15.718 2.774 517 HA3 GLY 73 2HA GLY 73 -5.766 15.424 1.166 518 H GLY 74 H GLY 74 -7.199 15.815 -0.443 519 HA2 GLY 74 1HA GLY 74 -9.886 14.558 -0.271 520 HA3 GLY 74 2HA GLY 74 -9.786 16.222 -0.838 521 H ALA 75 H ALA 75 -7.994 13.105 -1.344 522 HA ALA 75 HA ALA 75 -8.730 12.879 -4.071 523 HB1 ALA 75 1HB ALA 75 -5.968 13.965 -3.425 524 HB2 ALA 75 2HB ALA 75 -6.321 13.145 -4.967 525 HB3 ALA 75 3HB ALA 75 -7.146 14.644 -4.552 526 H LEU 76 H LEU 76 -6.895 11.167 -5.024 527 HA LEU 76 HA LEU 76 -6.657 8.991 -3.012 528 HB2 LEU 76 1HB LEU 76 -8.184 8.548 -4.922 529 HB3 LEU 76 2HB LEU 76 -6.864 8.886 -6.033 530 HG LEU 76 HG LEU 76 -5.581 6.958 -4.783 531 HD11 LEU 76 1HD1 LEU 76 -8.440 6.207 -4.103 532 HD12 LEU 76 2HD1 LEU 76 -7.332 6.859 -2.915 533 HD13 LEU 76 3HD1 LEU 76 -6.973 5.301 -3.677 534 HD21 LEU 76 3HD2 LEU 76 -6.695 5.262 -6.204 535 HD22 LEU 76 1HD2 LEU 76 -6.382 6.756 -7.084 536 HD23 LEU 76 2HD2 LEU 76 -8.030 6.400 -6.511 537 H CYS 77 H CYS 77 -4.580 9.301 -2.240 538 HA CYS 77 HA CYS 77 -2.263 9.663 -4.001 539 HB2 CYS 77 1HB CYS 77 -2.673 9.225 -1.025 540 HB3 CYS 77 2HB CYS 77 -1.137 8.803 -1.771 541 HG CYS 77 HG CYS 77 -1.261 11.285 -0.600 542 H ARG 78 H ARG 78 -1.823 8.074 -5.398 543 HA ARG 78 HA ARG 78 -2.000 5.227 -4.520 544 HB2 ARG 78 1HB ARG 78 -3.175 5.561 -6.597 545 HB3 ARG 78 2HB ARG 78 -1.820 6.424 -7.313 546 HG2 ARG 78 1HG ARG 78 -1.467 3.539 -6.442 547 HG3 ARG 78 2HG ARG 78 -2.325 3.906 -7.905 548 HD2 ARG 78 1HD ARG 78 -0.347 5.131 -8.773 549 HD3 ARG 78 2HD ARG 78 0.548 4.729 -7.318 550 HE ARG 78 HE ARG 78 1.004 2.678 -8.213 551 HH11 ARG 78 1HH1 ARG 78 -1.892 3.774 -10.053 552 HH12 ARG 78 2HH1 ARG 78 -1.518 2.778 -11.389 553 HH21 ARG 78 1HH2 ARG 78 1.416 1.441 -9.872 554 HH22 ARG 78 2HH2 ARG 78 0.372 1.304 -11.279 555 H CYS 79 H CYS 79 -0.020 4.201 -4.123 556 HA CYS 79 HA CYS 79 2.395 5.639 -5.124 557 HB2 CYS 79 1HB CYS 79 2.118 6.192 -2.694 558 HB3 CYS 79 2HB CYS 79 2.167 4.474 -2.315 559 HG CYS 79 HG CYS 79 4.562 4.113 -3.627 560 H ASP 80 H ASP 80 3.813 4.231 -6.044 561 HA ASP 80 HA ASP 80 3.077 1.331 -6.042 562 HB2 ASP 80 1HB ASP 80 5.119 2.999 -7.570 563 HB3 ASP 80 2HB ASP 80 5.169 1.238 -7.532 564 H GLY 81 H GLY 81 4.547 -0.204 -5.123 565 HA2 GLY 81 1HA GLY 81 7.011 0.531 -3.835 566 HA3 GLY 81 2HA GLY 81 5.636 0.311 -2.703 567 H ARG 82 H ARG 82 7.176 -1.508 -2.022 568 HA ARG 82 HA ARG 82 6.536 -3.936 -3.531 569 HB2 ARG 82 1HB ARG 82 9.382 -3.420 -2.574 570 HB3 ARG 82 2HB ARG 82 8.745 -4.910 -3.277 571 HG2 ARG 82 1HG ARG 82 9.548 -4.079 -5.224 572 HG3 ARG 82 2HG ARG 82 8.011 -3.219 -5.250 573 HD2 ARG 82 1HD ARG 82 9.515 -1.629 -5.736 574 HD3 ARG 82 2HD ARG 82 9.222 -1.304 -4.031 575 HE ARG 82 HE ARG 82 11.407 -3.018 -4.052 576 HH11 ARG 82 1HH1 ARG 82 10.769 0.033 -5.694 577 HH12 ARG 82 2HH1 ARG 82 12.419 0.575 -5.655 578 HH21 ARG 82 1HH2 ARG 82 13.525 -2.497 -4.164 579 HH22 ARG 82 2HH2 ARG 82 14.078 -0.878 -4.612 580 H VAL 83 H VAL 83 6.930 -5.894 -2.105 581 HA VAL 83 HA VAL 83 5.550 -5.507 0.325 582 HB VAL 83 HB VAL 83 7.080 -7.816 -0.877 583 HG11 VAL 83 1HG1 VAL 83 5.253 -7.893 1.552 584 HG12 VAL 83 2HG1 VAL 83 5.817 -9.305 0.626 585 HG13 VAL 83 3HG1 VAL 83 6.977 -8.307 1.502 586 HG21 VAL 83 3HG2 VAL 83 5.099 -6.999 -2.102 587 HG22 VAL 83 1HG2 VAL 83 4.799 -8.609 -1.413 588 HG23 VAL 83 2HG2 VAL 83 4.133 -7.171 -0.639 589 H GLU 84 H GLU 84 9.016 -5.512 -0.184 590 HA GLU 84 HA GLU 84 10.798 -5.227 1.130 591 HB2 GLU 84 1HB GLU 84 9.284 -3.513 2.435 592 HB3 GLU 84 2HB GLU 84 9.174 -4.774 3.614 593 HG2 GLU 84 1HG GLU 84 11.888 -4.842 3.164 594 HG3 GLU 84 2HG GLU 84 11.563 -3.165 2.737 595 H THR 85 H THR 85 8.301 -6.768 3.167 596 HA THR 85 HA THR 85 9.893 -9.209 3.611 597 HB THR 85 HB THR 85 8.966 -7.371 5.879 598 HG1 THR 85 1HG THR 85 10.715 -6.377 5.180 599 HG21 THR 85 3HG2 THR 85 9.029 -9.785 6.448 600 HG22 THR 85 1HG2 THR 85 10.278 -8.881 7.314 601 HG23 THR 85 2HG2 THR 85 10.719 -9.874 5.905 602 H LEU 86 H LEU 86 8.376 -10.707 3.153 603 HA LEU 86 HA LEU 86 5.525 -10.139 3.721 604 HB2 LEU 86 1HB LEU 86 6.324 -11.357 1.565 605 HB3 LEU 86 2HB LEU 86 6.643 -12.727 2.638 606 HG LEU 86 HG LEU 86 4.108 -12.217 3.397 607 HD11 LEU 86 1HD1 LEU 86 4.031 -10.106 1.992 608 HD12 LEU 86 2HD1 LEU 86 2.749 -11.267 1.670 609 HD13 LEU 86 3HD1 LEU 86 4.142 -11.107 0.562 610 HD21 LEU 86 3HD2 LEU 86 4.665 -14.314 2.398 611 HD22 LEU 86 1HD2 LEU 86 4.837 -13.582 0.780 612 HD23 LEU 86 2HD2 LEU 86 3.243 -13.661 1.572 613 H ARG 87 H ARG 87 4.457 -11.509 5.271 614 HA ARG 87 HA ARG 87 6.227 -13.207 6.966 615 HB2 ARG 87 1HB ARG 87 5.668 -11.224 8.246 616 HB3 ARG 87 2HB ARG 87 3.998 -11.306 7.749 617 HG2 ARG 87 1HG ARG 87 3.923 -13.588 8.984 618 HG3 ARG 87 2HG ARG 87 5.445 -13.070 9.734 619 HD2 ARG 87 1HD ARG 87 4.418 -11.192 10.767 620 HD3 ARG 87 2HD ARG 87 3.039 -11.222 9.681 621 HE ARG 87 HE ARG 87 2.264 -13.269 10.634 622 HH11 ARG 87 1HH1 ARG 87 4.565 -11.380 12.636 623 HH12 ARG 87 2HH1 ARG 87 4.251 -12.279 14.072 624 HH21 ARG 87 1HH2 ARG 87 1.790 -14.369 12.561 625 HH22 ARG 87 2HH2 ARG 87 2.566 -14.019 14.061 626 H ASP 88 H ASP 88 2.744 -12.586 6.413 627 HA ASP 88 HA ASP 88 2.311 -15.503 5.964 628 HB2 ASP 88 1HB ASP 88 0.603 -13.360 7.319 629 HB3 ASP 88 2HB ASP 88 -0.051 -14.898 6.797 630 H ASP 89 H ASP 89 0.170 -15.708 4.769 631 HA ASP 89 HA ASP 89 -0.069 -14.517 2.225 632 HB2 ASP 89 1HB ASP 89 -2.070 -15.915 4.051 633 HB3 ASP 89 2HB ASP 89 -2.394 -15.547 2.371 634 H ARG 90 H ARG 90 -0.446 -12.761 5.004 635 HA ARG 90 HA ARG 90 -2.625 -11.026 4.035 636 HB2 ARG 90 1HB ARG 90 -3.923 -11.528 6.197 637 HB3 ARG 90 2HB ARG 90 -3.996 -12.696 4.855 638 HG2 ARG 90 1HG ARG 90 -2.574 -14.236 5.831 639 HG3 ARG 90 2HG ARG 90 -2.196 -13.183 7.226 640 HD2 ARG 90 1HD ARG 90 -4.250 -13.652 8.235 641 HD3 ARG 90 2HD ARG 90 -5.066 -13.815 6.679 642 HE ARG 90 HE ARG 90 -4.542 -15.973 6.471 643 HH11 ARG 90 1HH1 ARG 90 -2.469 -14.814 9.138 644 HH12 ARG 90 2HH1 ARG 90 -1.504 -16.264 9.126 645 HH21 ARG 90 1HH2 ARG 90 -3.535 -17.974 6.803 646 HH22 ARG 90 2HH2 ARG 90 -1.941 -17.914 7.482 647 H GLN 91 H GLN 91 -0.320 -11.839 6.639 648 HA GLN 91 HA GLN 91 -0.282 -8.991 7.447 649 HB2 GLN 91 1HB GLN 91 1.001 -11.390 8.797 650 HB3 GLN 91 2HB GLN 91 1.003 -9.724 9.377 651 HG2 GLN 91 1HG GLN 91 -1.524 -9.864 9.526 652 HG3 GLN 91 2HG GLN 91 -1.400 -11.570 9.126 653 HE21 GLN 91 1HE2 GLN 91 -0.295 -9.137 11.576 654 HE22 GLN 91 2HE2 GLN 91 -0.135 -10.301 12.862 655 H PHE 92 H PHE 92 1.370 -7.886 6.646 656 HA PHE 92 HA PHE 92 4.017 -8.917 6.167 657 HB2 PHE 92 1HB PHE 92 3.959 -8.576 3.649 658 HB3 PHE 92 2HB PHE 92 3.203 -10.038 4.250 659 HD1 PHE 92 1HD PHE 92 2.499 -6.615 3.012 660 HD2 PHE 92 2HD PHE 92 0.956 -10.556 3.684 661 HE1 PHE 92 1HE PHE 92 0.428 -5.968 1.845 662 HE2 PHE 92 2HE PHE 92 -1.136 -9.946 2.468 663 HZ PHE 92 HZ PHE 92 -1.421 -7.644 1.576 664 H ALA 93 H ALA 93 5.272 -7.182 4.730 665 HA ALA 93 HA ALA 93 4.452 -4.567 5.785 666 HB1 ALA 93 1HB ALA 93 7.213 -4.921 4.781 667 HB2 ALA 93 2HB ALA 93 6.588 -4.210 6.281 668 HB3 ALA 93 3HB ALA 93 6.778 -5.952 6.154 669 H ILE 94 H ILE 94 5.510 -2.699 4.391 670 HA ILE 94 HA ILE 94 5.793 -3.233 1.572 671 HB ILE 94 HB ILE 94 4.404 -1.110 1.079 672 HG12 ILE 94 1HG1 ILE 94 2.969 -1.931 3.633 673 HG13 ILE 94 2HG1 ILE 94 3.882 -0.448 3.385 674 HG21 ILE 94 1HG2 ILE 94 3.993 -3.511 0.368 675 HG22 ILE 94 2HG2 ILE 94 2.838 -3.615 1.707 676 HG23 ILE 94 3HG2 ILE 94 2.554 -2.472 0.395 677 HD11 ILE 94 3HD1 ILE 94 1.510 0.011 3.172 678 HD12 ILE 94 1HD1 ILE 94 2.320 0.248 1.612 679 HD13 ILE 94 2HD1 ILE 94 1.335 -1.208 1.906 680 H ARG 95 H ARG 95 7.498 -2.146 0.821 681 HA ARG 95 HA ARG 95 8.583 0.233 2.274 682 HB2 ARG 95 1HB ARG 95 10.020 -1.884 1.397 683 HB3 ARG 95 2HB ARG 95 9.984 -1.014 -0.110 684 HG2 ARG 95 1HG ARG 95 10.913 0.304 2.436 685 HG3 ARG 95 2HG ARG 95 11.961 -0.730 1.464 686 HD2 ARG 95 1HD ARG 95 11.609 0.705 -0.513 687 HD3 ARG 95 2HD ARG 95 10.511 1.725 0.429 688 HE ARG 95 HE ARG 95 12.227 2.745 1.413 689 HH11 ARG 95 1HH1 ARG 95 13.533 -0.128 -0.198 690 HH12 ARG 95 2HH1 ARG 95 15.148 0.081 0.363 691 HH21 ARG 95 1HH2 ARG 95 14.473 3.141 2.107 692 HH22 ARG 95 2HH2 ARG 95 15.698 2.059 1.643 693 H LEU 96 H LEU 96 7.817 2.059 1.578 694 HA LEU 96 HA LEU 96 6.431 2.412 -0.980 695 HB2 LEU 96 1HB LEU 96 7.252 4.520 1.087 696 HB3 LEU 96 2HB LEU 96 6.002 4.654 -0.145 697 HG LEU 96 HG LEU 96 5.940 2.866 2.332 698 HD11 LEU 96 1HD1 LEU 96 4.319 5.320 1.574 699 HD12 LEU 96 2HD1 LEU 96 5.623 5.232 2.785 700 HD13 LEU 96 3HD1 LEU 96 4.126 4.337 3.049 701 HD21 LEU 96 3HD2 LEU 96 4.775 1.683 0.553 702 HD22 LEU 96 1HD2 LEU 96 3.868 3.153 0.109 703 HD23 LEU 96 2HD2 LEU 96 3.596 2.349 1.680 704 H VAL 97 H VAL 97 7.384 3.369 -2.846 705 HA VAL 97 HA VAL 97 9.937 4.792 -2.502 706 HB VAL 97 HB VAL 97 10.798 3.670 -4.505 707 HG11 VAL 97 1HG1 VAL 97 11.643 1.698 -3.396 708 HG12 VAL 97 2HG1 VAL 97 11.486 2.988 -2.199 709 HG13 VAL 97 3HG1 VAL 97 10.279 1.689 -2.260 710 HG21 VAL 97 3HG2 VAL 97 9.910 1.812 -5.516 711 HG22 VAL 97 1HG2 VAL 97 8.857 1.410 -4.143 712 HG23 VAL 97 2HG2 VAL 97 8.456 2.758 -5.227 713 H GLY 98 H GLY 98 10.486 6.117 -4.399 714 HA2 GLY 98 1HA GLY 98 10.125 7.174 -6.405 715 HA3 GLY 98 2HA GLY 98 8.669 6.192 -6.628 716 H ARG 99 H ARG 99 8.707 7.917 -3.710 717 HA ARG 99 HA ARG 99 7.526 9.563 -2.844 718 HB2 ARG 99 1HB ARG 99 8.719 10.940 -4.565 719 HB3 ARG 99 2HB ARG 99 7.320 10.831 -5.612 720 HG2 ARG 99 1HG ARG 99 7.588 12.988 -4.371 721 HG3 ARG 99 2HG ARG 99 6.003 12.241 -4.284 722 HD2 ARG 99 1HD ARG 99 6.122 11.894 -2.022 723 HD3 ARG 99 2HD ARG 99 7.836 11.482 -2.078 724 HE ARG 99 HE ARG 99 8.267 13.445 -1.226 725 HH11 ARG 99 1HH1 ARG 99 5.447 14.253 -3.299 726 HH12 ARG 99 2HH1 ARG 99 5.061 15.616 -2.313 727 HH21 ARG 99 1HH2 ARG 99 7.713 15.079 -0.046 728 HH22 ARG 99 2HH2 ARG 99 6.355 16.117 -0.373 729 H VAL 100 H VAL 100 5.271 10.596 -2.879 730 HA VAL 100 HA VAL 100 3.254 8.659 -3.879 731 HB VAL 100 HB VAL 100 3.206 10.303 -1.317 732 HG11 VAL 100 1HG1 VAL 100 1.241 8.750 -0.807 733 HG12 VAL 100 2HG1 VAL 100 0.992 9.900 -2.120 734 HG13 VAL 100 3HG1 VAL 100 1.332 8.206 -2.493 735 HG21 VAL 100 3HG2 VAL 100 4.894 8.429 -1.143 736 HG22 VAL 100 1HG2 VAL 100 3.567 8.399 0.016 737 HG23 VAL 100 2HG2 VAL 100 3.545 7.304 -1.370 738 H ARG 101 H ARG 101 1.616 9.817 -5.070 739 HA ARG 101 HA ARG 101 1.297 12.689 -4.627 740 HB2 ARG 101 1HB ARG 101 2.908 12.380 -6.510 741 HB3 ARG 101 2HB ARG 101 1.798 11.283 -7.284 742 HG2 ARG 101 1HG ARG 101 0.331 13.707 -6.880 743 HG3 ARG 101 2HG ARG 101 1.953 14.179 -7.342 744 HD2 ARG 101 1HD ARG 101 1.620 12.366 -9.261 745 HD3 ARG 101 2HD ARG 101 -0.091 12.594 -8.959 746 HE ARG 101 HE ARG 101 1.698 14.246 -10.381 747 HH11 ARG 101 1HH1 ARG 101 -1.234 14.601 -8.407 748 HH12 ARG 101 2HH1 ARG 101 -1.478 16.267 -8.836 749 HH21 ARG 101 1HH2 ARG 101 1.417 16.313 -10.959 750 HH22 ARG 101 2HH2 ARG 101 0.185 17.339 -10.307 751 H GLU 102 H GLU 102 -0.792 13.308 -4.988 752 HA GLU 102 HA GLU 102 -3.042 11.549 -5.109 753 HB2 GLU 102 1HB GLU 102 -2.581 14.449 -5.915 754 HB3 GLU 102 2HB GLU 102 -4.178 13.716 -5.741 755 HG2 GLU 102 1HG GLU 102 -3.885 13.472 -3.366 756 HG3 GLU 102 2HG GLU 102 -2.190 13.831 -3.435 757 H LEU 103 H LEU 103 -3.177 10.144 -6.931 758 HA LEU 103 HA LEU 103 -2.465 11.330 -9.607 759 HB2 LEU 103 1HB LEU 103 -2.976 8.413 -9.330 760 HB3 LEU 103 2HB LEU 103 -2.060 9.328 -10.528 761 HG LEU 103 HG LEU 103 -1.153 8.506 -7.765 762 HD11 LEU 103 1HD1 LEU 103 -0.072 7.884 -10.557 763 HD12 LEU 103 2HD1 LEU 103 -1.177 6.833 -9.681 764 HD13 LEU 103 3HD1 LEU 103 0.453 7.165 -9.021 765 HD21 LEU 103 3HD2 LEU 103 -0.211 10.665 -8.177 766 HD22 LEU 103 1HD2 LEU 103 0.310 10.210 -9.824 767 HD23 LEU 103 2HD2 LEU 103 1.037 9.433 -8.384 768 H GLN 104 H GLN 104 -5.163 10.422 -7.677 769 HA GLN 104 HA GLN 104 -6.873 11.060 -9.945 770 HB2 GLN 104 1HB GLN 104 -7.456 8.641 -8.164 771 HB3 GLN 104 2HB GLN 104 -8.561 9.358 -9.334 772 HG2 GLN 104 1HG GLN 104 -6.998 8.774 -11.171 773 HG3 GLN 104 2HG GLN 104 -5.901 8.041 -10.002 774 HE21 GLN 104 1HE2 GLN 104 -5.980 5.866 -10.416 775 HE22 GLN 104 2HE2 GLN 104 -7.404 4.899 -10.657 776 H ARG 105 H ARG 105 -8.991 11.809 -9.094 777 HA ARG 105 HA ARG 105 -8.913 12.695 -6.270 778 HB2 ARG 105 1HB ARG 105 -9.800 14.424 -8.598 779 HB3 ARG 105 2HB ARG 105 -9.788 14.864 -6.906 780 HG2 ARG 105 1HG ARG 105 -7.920 15.962 -7.556 781 HG3 ARG 105 2HG ARG 105 -7.177 14.449 -7.064 782 HD2 ARG 105 1HD ARG 105 -6.270 15.354 -9.185 783 HD3 ARG 105 2HD ARG 105 -6.990 13.757 -9.447 784 HE ARG 105 HE ARG 105 -8.623 16.172 -9.864 785 HH11 ARG 105 1HH1 ARG 105 -6.576 13.875 -11.732 786 HH12 ARG 105 2HH1 ARG 105 -7.680 13.870 -13.055 787 HH21 ARG 105 1HH2 ARG 105 -9.875 16.316 -11.719 788 HH22 ARG 105 2HH2 ARG 105 -9.433 15.450 -13.133 789 H ARG 106 H ARG 106 -11.434 13.507 -5.821 790 HA ARG 106 HA ARG 106 -12.813 10.993 -6.524 791 HB2 ARG 106 1HB ARG 106 -12.468 11.994 -4.104 792 HB3 ARG 106 2HB ARG 106 -13.911 12.935 -4.507 793 HG2 ARG 106 1HG ARG 106 -15.025 10.727 -5.157 794 HG3 ARG 106 2HG ARG 106 -13.597 9.884 -4.582 795 HD2 ARG 106 1HD ARG 106 -14.055 10.395 -2.331 796 HD3 ARG 106 2HD ARG 106 -15.112 11.758 -2.764 797 HE ARG 106 HE ARG 106 -16.083 9.321 -3.896 798 HH11 ARG 106 1HH1 ARG 106 -15.889 10.821 -0.682 799 HH12 ARG 106 2HH1 ARG 106 -17.341 10.098 -0.092 800 HH21 ARG 106 1HH2 ARG 106 -18.141 8.651 -3.285 801 HH22 ARG 106 2HH2 ARG 106 -18.658 8.819 -1.616 802 H GLU 107 H GLU 107 -12.711 13.406 -8.439 803 HA GLU 107 HA GLU 107 -13.966 14.313 -9.978 804 HB2 GLU 107 1HB GLU 107 -15.397 12.205 -9.901 805 HB3 GLU 107 2HB GLU 107 -16.488 13.080 -8.826 806 HG2 GLU 107 1HG GLU 107 -16.915 14.749 -10.594 807 HG3 GLU 107 2HG GLU 107 -15.827 13.868 -11.682 808 H TYR 108 H TYR 108 -14.450 14.686 -6.796 809 HA TYR 108 HA TYR 108 -16.161 17.044 -6.748 810 HB2 TYR 108 1HB TYR 108 -14.471 15.830 -4.540 811 HB3 TYR 108 2HB TYR 108 -15.783 16.984 -4.332 812 HD1 TYR 108 1HD TYR 108 -17.416 15.115 -6.688 813 HD2 TYR 108 2HD TYR 108 -15.726 14.620 -2.740 814 HE1 TYR 108 1HE TYR 108 -18.886 13.226 -6.315 815 HE2 TYR 108 2HE TYR 108 -17.266 12.731 -2.330 816 HH TYR 108 HH TYR 108 -19.273 11.399 -4.959 817 H PHE 109 H PHE 109 -13.307 16.981 -8.005 818 HA PHE 109 HA PHE 109 -11.774 18.341 -8.602 819 HB2 PHE 109 1HB PHE 109 -13.053 20.428 -6.874 820 HB3 PHE 109 2HB PHE 109 -11.525 20.667 -7.702 821 HD1 PHE 109 1HD PHE 109 -15.163 20.108 -8.200 822 HD2 PHE 109 2HD PHE 109 -11.366 20.764 -10.145 823 HE1 PHE 109 1HE PHE 109 -16.323 20.473 -10.356 824 HE2 PHE 109 2HE PHE 109 -12.540 21.134 -12.301 825 HZ PHE 109 HZ PHE 109 -15.021 20.989 -12.408 Start of MODEL 15 1 H1 GLY 1 H GLY 1 7.284 21.910 -3.690 2 HA2 GLY 1 1HA GLY 1 9.232 20.916 -4.705 3 HA3 GLY 1 2HA GLY 1 9.885 22.552 -4.961 4 H MET 2 H MET 2 9.101 20.103 -2.450 5 HA MET 2 HA MET 2 11.241 21.039 -0.787 6 HB2 MET 2 1HB MET 2 9.912 21.581 1.172 7 HB3 MET 2 2HB MET 2 9.700 22.741 -0.122 8 HG2 MET 2 1HG MET 2 7.712 20.671 0.842 9 HG3 MET 2 2HG MET 2 7.648 22.412 0.985 10 HE1 MET 2 3HE MET 2 5.281 20.437 0.043 11 HE2 MET 2 1HE MET 2 5.111 22.178 0.365 12 HE3 MET 2 2HE MET 2 4.540 21.508 -1.173 13 H SER 3 H SER 3 12.072 18.998 -0.852 14 HA SER 3 HA SER 3 11.130 17.028 0.879 15 HB2 SER 3 1HB SER 3 10.726 15.274 -1.006 16 HB3 SER 3 2HB SER 3 9.420 16.367 -0.562 17 HG SER 3 HG SER 3 11.090 17.126 -2.686 18 H ALA 4 H ALA 4 12.777 15.337 0.998 19 HA ALA 4 HA ALA 4 15.067 15.552 -0.880 20 HB1 ALA 4 1HB ALA 4 15.295 15.768 2.160 21 HB2 ALA 4 2HB ALA 4 16.642 15.672 1.027 22 HB3 ALA 4 3HB ALA 4 15.579 17.083 0.989 23 H ASP 5 H ASP 5 13.532 13.882 1.864 24 HA ASP 5 HA ASP 5 14.790 11.273 1.131 25 HB2 ASP 5 1HB ASP 5 15.360 12.557 3.314 26 HB3 ASP 5 2HB ASP 5 13.716 12.164 3.823 27 H GLY 6 H GLY 6 13.280 9.481 2.142 28 HA2 GLY 6 1HA GLY 6 10.452 9.849 1.261 29 HA3 GLY 6 2HA GLY 6 11.315 8.323 1.515 30 H SER 7 H SER 7 10.034 11.206 3.206 31 HA SER 7 HA SER 7 9.591 9.555 5.641 32 HB2 SER 7 1HB SER 7 11.616 11.214 5.568 33 HB3 SER 7 2HB SER 7 10.381 12.473 5.742 34 HG SER 7 HG SER 7 11.017 10.319 7.483 35 H GLU 8 H GLU 8 8.646 12.264 3.621 36 HA GLU 8 HA GLU 8 6.154 13.131 4.362 37 HB2 GLU 8 1HB GLU 8 7.520 12.445 1.748 38 HB3 GLU 8 2HB GLU 8 5.894 13.093 1.702 39 HG2 GLU 8 1HG GLU 8 6.491 15.150 2.151 40 HG3 GLU 8 2HG GLU 8 7.631 14.707 3.433 41 H TYR 9 H TYR 9 6.597 9.842 4.173 42 HA TYR 9 HA TYR 9 4.160 9.147 2.713 43 HB2 TYR 9 1HB TYR 9 5.899 7.538 4.623 44 HB3 TYR 9 2HB TYR 9 4.693 6.884 3.538 45 HD1 TYR 9 1HD TYR 9 5.205 7.972 0.954 46 HD2 TYR 9 2HD TYR 9 8.091 7.095 3.998 47 HE1 TYR 9 1HE TYR 9 6.980 7.859 -0.800 48 HE2 TYR 9 2HE TYR 9 9.831 6.868 2.289 49 HH TYR 9 HH TYR 9 9.294 7.485 -1.205 50 H GLY 10 H GLY 10 5.162 9.317 6.212 51 HA2 GLY 10 1HA GLY 10 2.803 8.129 7.134 52 HA3 GLY 10 2HA GLY 10 3.972 9.017 8.107 53 H ARG 11 H ARG 11 3.511 11.437 6.410 54 HA ARG 11 HA ARG 11 1.422 12.677 7.916 55 HB2 ARG 11 1HB ARG 11 1.690 14.538 6.195 56 HB3 ARG 11 2HB ARG 11 3.139 14.097 7.084 57 HG2 ARG 11 1HG ARG 11 4.042 12.914 5.230 58 HG3 ARG 11 2HG ARG 11 2.500 12.941 4.360 59 HD2 ARG 11 1HD ARG 11 3.848 14.548 3.327 60 HD3 ARG 11 2HD ARG 11 2.667 15.458 4.291 61 HE ARG 11 HE ARG 11 4.818 15.231 5.985 62 HH11 ARG 11 1HH1 ARG 11 4.266 16.534 2.755 63 HH12 ARG 11 2HH1 ARG 11 5.629 17.599 2.760 64 HH21 ARG 11 1HH2 ARG 11 6.625 16.664 6.066 65 HH22 ARG 11 2HH2 ARG 11 7.149 17.457 4.612 66 H TYR 12 H TYR 12 1.331 10.763 4.982 67 HA TYR 12 HA TYR 12 -1.488 11.528 4.503 68 HB2 TYR 12 1HB TYR 12 0.363 9.979 2.690 69 HB3 TYR 12 2HB TYR 12 -1.132 10.752 2.286 70 HD1 TYR 12 2HD TYR 12 -0.463 13.443 3.777 71 HD2 TYR 12 1HD TYR 12 1.833 10.990 1.139 72 HE1 TYR 12 2HE TYR 12 0.564 15.479 2.846 73 HE2 TYR 12 1HE TYR 12 2.947 12.996 0.199 74 HH TYR 12 HH TYR 12 1.908 16.327 1.156 75 H PHE 13 H PHE 13 0.705 8.758 4.952 76 HA PHE 13 HA PHE 13 -1.597 6.871 5.074 77 HB2 PHE 13 1HB PHE 13 1.381 6.352 4.944 78 HB3 PHE 13 2HB PHE 13 0.139 5.120 5.000 79 HD1 PHE 13 2HD PHE 13 -1.396 4.741 3.105 80 HD2 PHE 13 1HD PHE 13 1.873 7.538 2.831 81 HE1 PHE 13 2HE PHE 13 -1.668 4.833 0.655 82 HE2 PHE 13 1HE PHE 13 1.572 7.642 0.379 83 HZ PHE 13 HZ PHE 13 -0.230 6.348 -0.708 84 H GLU 14 H GLU 14 -2.306 6.530 7.017 85 HA GLU 14 HA GLU 14 -0.599 7.025 9.403 86 HB2 GLU 14 1HB GLU 14 -2.894 8.006 9.305 87 HB3 GLU 14 2HB GLU 14 -3.567 6.362 9.304 88 HG2 GLU 14 1HG GLU 14 -2.556 5.967 11.536 89 HG3 GLU 14 2HG GLU 14 -1.833 7.573 11.489 90 H GLN 15 H GLN 15 -0.362 5.494 10.920 91 HA GLN 15 HA GLN 15 0.059 2.770 10.655 92 HB2 GLN 15 1HB GLN 15 0.292 4.499 12.676 93 HB3 GLN 15 2HB GLN 15 -1.376 4.043 13.016 94 HG2 GLN 15 1HG GLN 15 -0.692 2.325 14.237 95 HG3 GLN 15 2HG GLN 15 0.037 1.596 12.822 96 HE21 GLN 15 1HE2 GLN 15 0.803 1.677 15.774 97 HE22 GLN 15 2HE2 GLN 15 2.449 2.238 15.795 98 H LEU 16 H LEU 16 -3.011 4.357 10.742 99 HA LEU 16 HA LEU 16 -4.400 1.777 10.892 100 HB2 LEU 16 1HB LEU 16 -4.923 4.149 12.721 101 HB3 LEU 16 2HB LEU 16 -6.217 3.052 12.267 102 HG LEU 16 HG LEU 16 -4.473 1.183 12.942 103 HD11 LEU 16 1HD1 LEU 16 -3.461 3.524 14.487 104 HD12 LEU 16 2HD1 LEU 16 -2.676 2.270 13.480 105 HD13 LEU 16 3HD1 LEU 16 -3.327 1.832 15.046 106 HD21 LEU 16 3HD2 LEU 16 -6.129 2.796 14.924 107 HD22 LEU 16 1HD2 LEU 16 -5.587 1.106 15.139 108 HD23 LEU 16 2HD2 LEU 16 -6.733 1.514 13.844 109 H GLN 17 H GLN 17 -3.752 3.228 8.637 110 HA GLN 17 HA GLN 17 -6.448 3.976 7.604 111 HB2 GLN 17 1HB GLN 17 -3.818 5.275 7.241 112 HB3 GLN 17 2HB GLN 17 -4.521 4.782 5.723 113 HG2 GLN 17 1HG GLN 17 -6.556 6.083 6.176 114 HG3 GLN 17 2HG GLN 17 -6.095 6.300 7.869 115 HE21 GLN 17 1HE2 GLN 17 -4.799 6.994 4.545 116 HE22 GLN 17 2HE2 GLN 17 -3.969 8.456 5.038 117 H LYS 18 H LYS 18 -6.854 3.057 5.404 118 HA LYS 18 HA LYS 18 -5.394 0.477 5.061 119 HB2 LYS 18 1HB LYS 18 -7.353 -0.487 4.545 120 HB3 LYS 18 2HB LYS 18 -7.745 0.511 5.902 121 HG2 LYS 18 1HG LYS 18 -8.242 1.772 3.316 122 HG3 LYS 18 2HG LYS 18 -9.001 0.201 3.423 123 HD2 LYS 18 1HD LYS 18 -9.910 1.071 5.742 124 HD3 LYS 18 2HD LYS 18 -9.508 2.672 5.086 125 HE2 LYS 18 1HE LYS 18 -10.861 1.975 2.990 126 HE3 LYS 18 2HE LYS 18 -11.373 0.548 3.910 127 HZ1 LYS 18 3HZ LYS 18 -13.024 2.215 4.192 128 HZ2 LYS 18 1HZ LYS 18 -11.904 3.370 4.546 129 HZ3 LYS 18 2HZ LYS 18 -12.189 2.182 5.614 130 H VAL 19 H VAL 19 -4.845 -0.257 2.948 131 HA VAL 19 HA VAL 19 -4.654 1.924 0.884 132 HB VAL 19 HB VAL 19 -2.537 1.207 0.340 133 HG11 VAL 19 1HG1 VAL 19 -2.898 3.141 1.817 134 HG12 VAL 19 2HG1 VAL 19 -2.770 2.118 3.246 135 HG13 VAL 19 3HG1 VAL 19 -1.359 2.339 2.191 136 HG21 VAL 19 3HG2 VAL 19 -2.615 -1.144 1.486 137 HG22 VAL 19 1HG2 VAL 19 -1.106 -0.217 1.508 138 HG23 VAL 19 2HG2 VAL 19 -2.130 -0.245 2.938 139 H ASN 20 H ASN 20 -4.814 1.151 -1.270 140 HA ASN 20 HA ASN 20 -5.914 -1.395 -1.955 141 HB2 ASN 20 1HB ASN 20 -4.535 0.843 -3.400 142 HB3 ASN 20 2HB ASN 20 -4.259 -0.698 -4.128 143 HD21 ASN 20 1HD2 ASN 20 -7.465 -0.943 -2.855 144 HD22 ASN 20 2HD2 ASN 20 -8.230 -0.478 -4.330 145 H LEU 21 H LEU 21 -4.890 -3.044 -3.203 146 HA LEU 21 HA LEU 21 -2.149 -3.835 -2.384 147 HB2 LEU 21 1HB LEU 21 -4.685 -5.508 -2.167 148 HB3 LEU 21 2HB LEU 21 -3.061 -6.038 -1.773 149 HG LEU 21 HG LEU 21 -4.729 -4.001 -0.257 150 HD11 LEU 21 1HD1 LEU 21 -5.464 -6.373 -0.084 151 HD12 LEU 21 2HD1 LEU 21 -4.764 -5.823 1.439 152 HD13 LEU 21 3HD1 LEU 21 -3.822 -6.860 0.363 153 HD21 LEU 21 3HD2 LEU 21 -2.266 -3.498 -0.033 154 HD22 LEU 21 1HD2 LEU 21 -1.971 -5.182 0.413 155 HD23 LEU 21 2HD2 LEU 21 -2.931 -4.128 1.475 156 H THR 22 H THR 22 -2.766 -2.832 -5.084 157 HA THR 22 HA THR 22 -3.870 -5.006 -6.660 158 HB THR 22 HB THR 22 -2.124 -2.707 -7.527 159 HG1 THR 22 1HG THR 22 -4.937 -2.807 -7.322 160 HG21 THR 22 3HG2 THR 22 -2.411 -4.349 -9.289 161 HG22 THR 22 1HG2 THR 22 -3.295 -2.866 -9.676 162 HG23 THR 22 2HG2 THR 22 -4.172 -4.298 -9.093 163 H VAL 23 H VAL 23 -2.758 -6.862 -7.012 164 HA VAL 23 HA VAL 23 0.269 -6.718 -6.648 165 HB VAL 23 HB VAL 23 -1.365 -9.257 -6.291 166 HG11 VAL 23 1HG1 VAL 23 1.570 -8.567 -5.830 167 HG12 VAL 23 2HG1 VAL 23 0.823 -10.105 -5.387 168 HG13 VAL 23 3HG1 VAL 23 0.944 -9.642 -7.082 169 HG21 VAL 23 3HG2 VAL 23 -0.686 -9.110 -3.903 170 HG22 VAL 23 1HG2 VAL 23 -0.075 -7.484 -4.207 171 HG23 VAL 23 2HG2 VAL 23 -1.817 -7.833 -4.387 172 H ARG 24 H ARG 24 0.992 -6.348 -8.685 173 HA ARG 24 HA ARG 24 0.130 -7.556 -11.093 174 HB2 ARG 24 1HB ARG 24 1.708 -5.957 -11.405 175 HB3 ARG 24 2HB ARG 24 2.707 -6.444 -10.039 176 HG2 ARG 24 1HG ARG 24 3.582 -8.342 -11.376 177 HG3 ARG 24 2HG ARG 24 2.548 -7.855 -12.734 178 HD2 ARG 24 1HD ARG 24 4.585 -6.013 -11.425 179 HD3 ARG 24 2HD ARG 24 5.000 -7.109 -12.750 180 HE ARG 24 HE ARG 24 2.754 -5.699 -13.637 181 HH11 ARG 24 1HH1 ARG 24 5.954 -4.699 -12.414 182 HH12 ARG 24 2HH1 ARG 24 6.155 -3.459 -13.595 183 HH21 ARG 24 1HH2 ARG 24 3.191 -4.242 -15.414 184 HH22 ARG 24 2HH2 ARG 24 4.673 -3.333 -15.413 185 H LEU 25 H LEU 25 -0.256 -9.756 -11.414 186 HA LEU 25 HA LEU 25 1.826 -11.634 -10.350 187 HB2 LEU 25 1HB LEU 25 -0.973 -12.376 -11.263 188 HB3 LEU 25 2HB LEU 25 0.277 -13.445 -10.677 189 HG LEU 25 HG LEU 25 -1.098 -11.289 -9.006 190 HD11 LEU 25 1HD1 LEU 25 -2.131 -13.191 -7.836 191 HD12 LEU 25 2HD1 LEU 25 -1.383 -14.315 -8.994 192 HD13 LEU 25 3HD1 LEU 25 -2.595 -13.139 -9.540 193 HD21 LEU 25 3HD2 LEU 25 0.055 -12.394 -7.100 194 HD22 LEU 25 1HD2 LEU 25 1.174 -11.605 -8.205 195 HD23 LEU 25 2HD2 LEU 25 0.993 -13.357 -8.265 196 H GLY 26 H GLY 26 3.131 -10.672 -11.930 197 HA2 GLY 26 1HA GLY 26 4.318 -11.012 -13.878 198 HA3 GLY 26 2HA GLY 26 3.113 -12.191 -14.398 199 H ASP 27 H ASP 27 1.263 -9.683 -13.701 200 HA ASP 27 HA ASP 27 0.169 -7.994 -14.634 201 HB2 ASP 27 1HB ASP 27 2.694 -7.653 -15.966 202 HB3 ASP 27 2HB ASP 27 1.425 -7.453 -17.157 203 H THR 28 H THR 28 0.646 -11.028 -15.898 204 HA THR 28 HA THR 28 -1.432 -10.783 -17.962 205 HB THR 28 HB THR 28 0.488 -12.196 -18.377 206 HG1 THR 28 1HG THR 28 -1.419 -12.828 -19.283 207 HG21 THR 28 3HG2 THR 28 -0.364 -13.918 -16.013 208 HG22 THR 28 1HG2 THR 28 1.115 -12.934 -16.113 209 HG23 THR 28 2HG2 THR 28 0.892 -14.306 -17.201 210 H GLY 29 H GLY 29 -1.126 -11.597 -14.540 211 HA2 GLY 29 1HA GLY 29 -3.933 -12.619 -14.445 212 HA3 GLY 29 2HA GLY 29 -2.616 -12.882 -13.271 213 H SER 30 H SER 30 -1.790 -11.177 -12.214 214 HA SER 30 HA SER 30 -1.905 -9.973 -10.467 215 HB2 SER 30 1HB SER 30 -3.726 -7.904 -11.630 216 HB3 SER 30 2HB SER 30 -2.397 -7.709 -10.556 217 HG SER 30 HG SER 30 -1.709 -7.167 -12.648 218 H PHE 31 H PHE 31 -3.211 -8.851 -8.713 219 HA PHE 31 HA PHE 31 -5.809 -10.106 -8.202 220 HB2 PHE 31 1HB PHE 31 -4.205 -11.637 -7.177 221 HB3 PHE 31 2HB PHE 31 -3.282 -10.326 -6.497 222 HD1 PHE 31 2HD PHE 31 -6.593 -12.072 -6.265 223 HD2 PHE 31 1HD PHE 31 -3.809 -9.373 -4.363 224 HE1 PHE 31 2HE PHE 31 -7.950 -12.118 -4.196 225 HE2 PHE 31 1HE PHE 31 -5.185 -9.420 -2.298 226 HZ PHE 31 HZ PHE 31 -7.259 -10.789 -2.215 227 H ASP 32 H ASP 32 -6.753 -8.844 -6.218 228 HA ASP 32 HA ASP 32 -5.415 -6.430 -5.445 229 HB2 ASP 32 1HB ASP 32 -8.128 -6.340 -6.881 230 HB3 ASP 32 2HB ASP 32 -7.457 -5.170 -5.757 231 H GLY 33 H GLY 33 -6.422 -5.694 -3.474 232 HA2 GLY 33 1HA GLY 33 -8.918 -6.730 -2.480 233 HA3 GLY 33 2HA GLY 33 -7.516 -7.422 -1.623 234 H THR 34 H THR 34 -8.411 -6.229 0.263 235 HA THR 34 HA THR 34 -7.159 -3.571 0.317 236 HB THR 34 HB THR 34 -9.806 -4.006 1.759 237 HG1 THR 34 1HG THR 34 -10.547 -4.019 -0.278 238 HG21 THR 34 3HG2 THR 34 -8.215 -1.560 0.879 239 HG22 THR 34 1HG2 THR 34 -8.391 -2.146 2.539 240 HG23 THR 34 2HG2 THR 34 -9.803 -1.511 1.682 241 H ALA 35 H ALA 35 -6.247 -3.095 2.461 242 HA ALA 35 HA ALA 35 -6.759 -4.985 4.609 243 HB1 ALA 35 1HB ALA 35 -3.934 -4.276 3.612 244 HB2 ALA 35 2HB ALA 35 -4.322 -5.112 5.133 245 HB3 ALA 35 3HB ALA 35 -4.641 -5.913 3.594 246 H ALA 36 H ALA 36 -6.343 -3.897 6.602 247 HA ALA 36 HA ALA 36 -6.040 -0.950 6.454 248 HB1 ALA 36 1HB ALA 36 -7.826 -1.495 7.864 249 HB2 ALA 36 2HB ALA 36 -7.110 -3.021 8.392 250 HB3 ALA 36 3HB ALA 36 -6.484 -1.541 9.046 251 H ILE 37 H ILE 37 -4.175 0.060 7.418 252 HA ILE 37 HA ILE 37 -1.821 -1.556 7.789 253 HB ILE 37 HB ILE 37 -2.386 1.397 8.335 254 HG12 ILE 37 1HG1 ILE 37 -0.789 0.103 6.083 255 HG13 ILE 37 2HG1 ILE 37 -2.445 0.546 5.866 256 HG21 ILE 37 1HG2 ILE 37 0.350 0.055 8.167 257 HG22 ILE 37 2HG2 ILE 37 0.002 1.789 8.435 258 HG23 ILE 37 3HG2 ILE 37 -0.405 0.633 9.655 259 HD11 ILE 37 3HD1 ILE 37 -1.914 2.922 6.184 260 HD12 ILE 37 1HD1 ILE 37 -0.189 2.515 6.383 261 HD13 ILE 37 2HD1 ILE 37 -1.005 2.190 4.856 262 H THR 38 H THR 38 -0.771 -1.640 9.773 263 HA THR 38 HA THR 38 -2.344 -1.444 12.261 264 HB THR 38 HB THR 38 -1.367 -3.656 12.936 265 HG1 THR 38 1HG THR 38 -0.590 -5.003 11.329 266 HG21 THR 38 3HG2 THR 38 -3.016 -4.971 11.786 267 HG22 THR 38 1HG2 THR 38 -2.968 -3.927 10.350 268 HG23 THR 38 2HG2 THR 38 -3.696 -3.364 11.866 269 H SER 39 H SER 39 0.749 -1.140 10.638 270 HA SER 39 HA SER 39 1.805 0.426 12.869 271 HB2 SER 39 1HB SER 39 3.079 -2.151 11.927 272 HB3 SER 39 2HB SER 39 3.923 -0.900 12.875 273 HG SER 39 HG SER 39 1.461 -1.684 13.882 274 H LEU 40 H LEU 40 3.018 2.121 11.959 275 HA LEU 40 HA LEU 40 3.911 1.843 9.128 276 HB2 LEU 40 1HB LEU 40 1.898 3.060 9.043 277 HB3 LEU 40 2HB LEU 40 2.270 3.990 10.472 278 HG LEU 40 HG LEU 40 2.301 5.181 8.395 279 HD11 LEU 40 1HD1 LEU 40 3.690 5.843 10.467 280 HD12 LEU 40 2HD1 LEU 40 3.804 6.751 8.971 281 HD13 LEU 40 3HD1 LEU 40 5.080 5.589 9.405 282 HD21 LEU 40 3HD2 LEU 40 4.923 4.218 7.435 283 HD22 LEU 40 1HD2 LEU 40 3.621 5.085 6.603 284 HD23 LEU 40 2HD2 LEU 40 3.414 3.387 6.998 285 H LYS 41 H LYS 41 5.721 2.922 8.670 286 HA LYS 41 HA LYS 41 7.253 4.457 10.640 287 HB2 LYS 41 1HB LYS 41 7.586 2.157 11.538 288 HB3 LYS 41 2HB LYS 41 8.264 1.662 9.990 289 HG2 LYS 41 1HG LYS 41 9.975 3.634 10.383 290 HG3 LYS 41 2HG LYS 41 9.380 3.634 12.031 291 HD2 LYS 41 1HD LYS 41 10.353 1.078 10.702 292 HD3 LYS 41 2HD LYS 41 11.491 2.264 11.331 293 HE2 LYS 41 1HE LYS 41 10.319 2.163 13.554 294 HE3 LYS 41 2HE LYS 41 9.352 0.813 12.943 295 HZ1 LYS 41 3HZ LYS 41 11.312 -0.462 12.696 296 HZ2 LYS 41 1HZ LYS 41 11.395 0.203 14.204 297 HZ3 LYS 41 2HZ LYS 41 12.304 0.824 12.994 298 H GLY 42 H GLY 42 7.297 5.960 8.805 299 HA2 GLY 42 1HA GLY 42 8.431 6.968 7.106 300 HA3 GLY 42 2HA GLY 42 9.758 5.821 7.382 301 H SER 43 H SER 43 10.232 4.690 5.543 302 HA SER 43 HA SER 43 8.222 4.320 3.424 303 HB2 SER 43 1HB SER 43 10.061 3.490 2.125 304 HB3 SER 43 2HB SER 43 10.514 5.026 2.860 305 HG SER 43 HG SER 43 11.681 3.842 4.472 306 H LEU 44 H LEU 44 7.376 3.055 5.707 307 HA LEU 44 HA LEU 44 7.376 0.231 4.878 308 HB2 LEU 44 1HB LEU 44 9.333 0.694 6.555 309 HB3 LEU 44 2HB LEU 44 8.060 0.935 7.752 310 HG LEU 44 HG LEU 44 7.192 -1.427 6.889 311 HD11 LEU 44 1HD1 LEU 44 8.875 -1.451 5.009 312 HD12 LEU 44 2HD1 LEU 44 8.973 -2.868 6.067 313 HD13 LEU 44 3HD1 LEU 44 10.172 -1.562 6.214 314 HD21 LEU 44 3HD2 LEU 44 8.652 -2.551 8.563 315 HD22 LEU 44 1HD2 LEU 44 7.960 -1.037 9.172 316 HD23 LEU 44 2HD2 LEU 44 9.653 -1.084 8.649 317 H ALA 45 H ALA 45 5.290 -0.498 5.121 318 HA ALA 45 HA ALA 45 3.773 0.389 7.490 319 HB1 ALA 45 1HB ALA 45 1.683 0.543 6.240 320 HB2 ALA 45 2HB ALA 45 2.841 1.699 5.550 321 HB3 ALA 45 3HB ALA 45 2.509 0.165 4.723 322 H TRP 46 H TRP 46 2.495 -1.341 8.336 323 HA TRP 46 HA TRP 46 2.858 -4.002 7.054 324 HB2 TRP 46 1HB TRP 46 2.884 -3.015 9.895 325 HB3 TRP 46 2HB TRP 46 2.217 -4.596 9.594 326 HD1 TRP 46 HD TRP 46 5.521 -2.634 9.189 327 HE1 TRP 46 1HE TRP 46 7.485 -4.329 9.159 328 HE3 TRP 46 3HE TRP 46 2.870 -6.995 8.756 329 HZ2 TRP 46 2HZ TRP 46 7.842 -7.131 8.686 330 HZ3 TRP 46 3HZ TRP 46 4.038 -9.128 8.359 331 HH2 TRP 46 HH TRP 46 6.543 -9.214 8.327 332 H LEU 47 H LEU 47 1.040 -5.073 6.462 333 HA LEU 47 HA LEU 47 -1.584 -3.925 7.244 334 HB2 LEU 47 1HB LEU 47 -1.340 -5.492 4.723 335 HB3 LEU 47 2HB LEU 47 -2.343 -4.131 5.155 336 HG LEU 47 HG LEU 47 -1.122 -3.442 3.382 337 HD11 LEU 47 1HD1 LEU 47 -0.988 -2.061 5.665 338 HD12 LEU 47 2HD1 LEU 47 -0.364 -1.454 4.114 339 HD13 LEU 47 3HD1 LEU 47 0.745 -2.152 5.314 340 HD21 LEU 47 3HD2 LEU 47 1.070 -3.776 2.824 341 HD22 LEU 47 1HD2 LEU 47 0.637 -5.286 3.621 342 HD23 LEU 47 2HD2 LEU 47 1.600 -4.086 4.493 343 H GLU 48 H GLU 48 -3.330 -5.464 7.354 344 HA GLU 48 HA GLU 48 -2.449 -8.305 7.836 345 HB2 GLU 48 1HB GLU 48 -3.760 -6.428 9.828 346 HB3 GLU 48 2HB GLU 48 -3.684 -8.190 10.048 347 HG2 GLU 48 1HG GLU 48 -1.213 -8.097 9.777 348 HG3 GLU 48 2HG GLU 48 -1.299 -6.339 9.754 349 H LEU 49 H LEU 49 -3.966 -7.383 5.765 350 HA LEU 49 HA LEU 49 -5.873 -7.480 4.530 351 HB2 LEU 49 1HB LEU 49 -5.379 -10.173 5.628 352 HB3 LEU 49 2HB LEU 49 -6.991 -9.950 5.048 353 HG LEU 49 HG LEU 49 -4.424 -9.717 3.471 354 HD11 LEU 49 1HD1 LEU 49 -5.545 -11.979 3.901 355 HD12 LEU 49 2HD1 LEU 49 -5.344 -11.571 2.195 356 HD13 LEU 49 3HD1 LEU 49 -6.923 -11.389 2.968 357 HD21 LEU 49 3HD2 LEU 49 -7.224 -8.908 2.554 358 HD22 LEU 49 1HD2 LEU 49 -5.923 -9.331 1.430 359 HD23 LEU 49 2HD2 LEU 49 -5.729 -7.944 2.483 360 H PHE 50 H PHE 50 -8.053 -7.102 4.264 361 HA PHE 50 HA PHE 50 -9.383 -6.338 6.733 362 HB2 PHE 50 1HB PHE 50 -9.448 -5.530 3.979 363 HB3 PHE 50 2HB PHE 50 -11.064 -6.014 4.393 364 HD1 PHE 50 2HD PHE 50 -11.836 -5.147 6.884 365 HD2 PHE 50 1HD PHE 50 -8.821 -3.325 4.413 366 HE1 PHE 50 2HE PHE 50 -12.138 -3.017 8.088 367 HE2 PHE 50 1HE PHE 50 -9.201 -1.198 5.515 368 HZ PHE 50 HZ PHE 50 -10.828 -0.983 7.375 369 H GLY 51 H GLY 51 -9.248 -9.347 5.442 370 HA2 GLY 51 1HA GLY 51 -10.705 -11.187 5.651 371 HA3 GLY 51 2HA GLY 51 -11.945 -10.123 6.316 372 H ALA 52 H ALA 52 -13.325 -11.195 4.863 373 HA ALA 52 HA ALA 52 -14.732 -11.325 3.142 374 HB1 ALA 52 1HB ALA 52 -14.828 -9.818 1.331 375 HB2 ALA 52 2HB ALA 52 -14.399 -8.868 2.766 376 HB3 ALA 52 3HB ALA 52 -13.163 -9.266 1.557 377 H GLU 53 H GLU 53 -11.518 -10.804 1.598 378 HA GLU 53 HA GLU 53 -11.423 -13.567 0.613 379 HB2 GLU 53 1HB GLU 53 -11.701 -11.096 -1.157 380 HB3 GLU 53 2HB GLU 53 -10.928 -12.577 -1.718 381 HG2 GLU 53 1HG GLU 53 -13.080 -13.801 -0.957 382 HG3 GLU 53 2HG GLU 53 -13.818 -12.202 -0.838 383 H GLN 54 H GLN 54 -9.265 -13.801 -0.716 384 HA GLN 54 HA GLN 54 -7.052 -12.182 0.301 385 HB2 GLN 54 1HB GLN 54 -6.023 -14.112 1.472 386 HB3 GLN 54 2HB GLN 54 -7.567 -13.672 2.178 387 HG2 GLN 54 1HG GLN 54 -8.606 -15.584 0.789 388 HG3 GLN 54 2HG GLN 54 -6.959 -16.071 0.397 389 HE21 GLN 54 1HE2 GLN 54 -5.590 -16.862 2.156 390 HE22 GLN 54 2HE2 GLN 54 -6.295 -17.453 3.637 391 HA PRO 55 HA PRO 55 -5.386 -13.717 -3.514 392 HB2 PRO 55 1HB PRO 55 -2.641 -13.968 -3.023 393 HB3 PRO 55 2HB PRO 55 -3.481 -12.440 -3.347 394 HG2 PRO 55 1HG PRO 55 -2.670 -13.666 -0.720 395 HG3 PRO 55 2HG PRO 55 -2.615 -11.942 -1.227 396 HD2 PRO 55 1HD PRO 55 -4.534 -12.982 0.396 397 HD3 PRO 55 2HD PRO 55 -4.881 -11.633 -0.715 398 HA PRO 56 HA PRO 56 -4.538 -18.141 -3.348 399 HB2 PRO 56 1HB PRO 56 -2.627 -18.484 -5.363 400 HB3 PRO 56 2HB PRO 56 -4.383 -18.257 -5.664 401 HG2 PRO 56 1HG PRO 56 -2.183 -16.190 -5.651 402 HG3 PRO 56 2HG PRO 56 -3.419 -16.446 -6.910 403 HD2 PRO 56 1HD PRO 56 -3.667 -14.530 -5.035 404 HD3 PRO 56 2HD PRO 56 -5.097 -15.490 -5.497 405 HA PRO 57 HA PRO 57 -0.747 -18.445 -0.947 406 HB2 PRO 57 1HB PRO 57 -0.296 -21.138 -0.926 407 HB3 PRO 57 2HB PRO 57 -1.639 -20.359 -0.013 408 HG2 PRO 57 1HG PRO 57 -1.762 -21.692 -2.738 409 HG3 PRO 57 2HG PRO 57 -2.855 -21.935 -1.337 410 HD2 PRO 57 1HD PRO 57 -3.460 -20.249 -3.389 411 HD3 PRO 57 2HD PRO 57 -3.921 -19.862 -1.700 412 H ASN 58 H ASN 58 1.441 -19.268 -1.067 413 HA ASN 58 HA ASN 58 3.469 -19.130 -2.037 414 HB2 ASN 58 1HB ASN 58 2.132 -21.162 -3.839 415 HB3 ASN 58 2HB ASN 58 3.864 -20.872 -3.818 416 HD21 ASN 58 1HD2 ASN 58 3.315 -23.397 -3.314 417 HD22 ASN 58 2HD2 ASN 58 3.381 -23.780 -1.615 418 H THR 59 H THR 59 1.524 -17.161 -2.972 419 HA THR 59 HA THR 59 2.617 -16.497 -5.670 420 HB THR 59 HB THR 59 -0.191 -15.966 -4.610 421 HG1 THR 59 1HG THR 59 0.101 -18.162 -5.092 422 HG21 THR 59 3HG2 THR 59 -0.583 -15.545 -7.082 423 HG22 THR 59 1HG2 THR 59 1.191 -15.314 -7.180 424 HG23 THR 59 2HG2 THR 59 0.212 -14.312 -6.093 425 H LEU 60 H LEU 60 1.095 -15.040 -2.707 426 HA LEU 60 HA LEU 60 2.331 -12.472 -3.069 427 HB2 LEU 60 1HB LEU 60 1.060 -13.967 -0.797 428 HB3 LEU 60 2HB LEU 60 2.265 -12.779 -0.348 429 HG LEU 60 HG LEU 60 -0.167 -12.195 -2.035 430 HD11 LEU 60 1HD1 LEU 60 -0.757 -12.691 0.241 431 HD12 LEU 60 2HD1 LEU 60 -0.904 -10.942 -0.016 432 HD13 LEU 60 3HD1 LEU 60 0.474 -11.586 0.878 433 HD21 LEU 60 3HD2 LEU 60 1.590 -10.550 -2.608 434 HD22 LEU 60 1HD2 LEU 60 1.904 -10.272 -0.875 435 HD23 LEU 60 2HD2 LEU 60 0.364 -9.796 -1.598 436 H SER 61 H SER 61 4.411 -11.814 -2.691 437 HA SER 61 HA SER 61 6.347 -13.706 -1.547 438 HB2 SER 61 1HB SER 61 6.533 -12.468 -4.285 439 HB3 SER 61 2HB SER 61 7.738 -13.509 -3.549 440 HG SER 61 HG SER 61 5.103 -14.264 -4.337 441 H GLU 62 H GLU 62 8.489 -12.539 -1.441 442 HA GLU 62 HA GLU 62 7.858 -10.215 0.176 443 HB2 GLU 62 1HB GLU 62 10.607 -11.450 -0.296 444 HB3 GLU 62 2HB GLU 62 10.135 -10.305 0.968 445 HG2 GLU 62 1HG GLU 62 8.461 -12.104 1.740 446 HG3 GLU 62 2HG GLU 62 9.349 -13.201 0.695 447 H GLY 63 H GLY 63 8.443 -10.235 -3.026 448 HA2 GLY 63 1HA GLY 63 9.486 -7.458 -3.010 449 HA3 GLY 63 2HA GLY 63 10.252 -8.672 -4.048 450 H ALA 64 H ALA 64 6.791 -8.922 -3.333 451 HA ALA 64 HA ALA 64 6.050 -8.802 -6.101 452 HB1 ALA 64 1HB ALA 64 4.673 -10.034 -4.457 453 HB2 ALA 64 2HB ALA 64 4.336 -8.522 -3.594 454 HB3 ALA 64 3HB ALA 64 3.729 -8.729 -5.225 455 H GLU 65 H GLU 65 5.763 -7.014 -7.292 456 HA GLU 65 HA GLU 65 5.975 -4.322 -6.199 457 HB2 GLU 65 1HB GLU 65 5.041 -5.141 -8.956 458 HB3 GLU 65 2HB GLU 65 5.629 -3.561 -8.417 459 HG2 GLU 65 1HG GLU 65 7.863 -4.705 -7.977 460 HG3 GLU 65 2HG GLU 65 7.226 -6.125 -8.779 461 H VAL 66 H VAL 66 4.294 -3.454 -5.239 462 HA VAL 66 HA VAL 66 1.537 -4.176 -5.990 463 HB VAL 66 HB VAL 66 0.883 -4.366 -3.644 464 HG11 VAL 66 1HG1 VAL 66 1.745 -6.568 -3.215 465 HG12 VAL 66 2HG1 VAL 66 1.642 -6.373 -4.984 466 HG13 VAL 66 3HG1 VAL 66 3.199 -6.274 -4.169 467 HG21 VAL 66 3HG2 VAL 66 3.870 -4.240 -2.981 468 HG22 VAL 66 1HG2 VAL 66 2.623 -3.059 -2.517 469 HG23 VAL 66 2HG2 VAL 66 2.559 -4.691 -1.868 470 H SER 67 H SER 67 -0.016 -2.380 -5.513 471 HA SER 67 HA SER 67 1.360 0.223 -5.105 472 HB2 SER 67 1HB SER 67 -0.304 1.095 -6.726 473 HB3 SER 67 2HB SER 67 0.924 -0.009 -7.365 474 HG SER 67 HG SER 67 -1.778 -0.647 -6.851 475 H VAL 68 H VAL 68 0.504 1.609 -3.754 476 HA VAL 68 HA VAL 68 -1.676 0.670 -2.044 477 HB VAL 68 HB VAL 68 -0.984 2.295 -0.540 478 HG11 VAL 68 1HG1 VAL 68 1.321 2.116 -0.105 479 HG12 VAL 68 2HG1 VAL 68 0.772 0.574 -0.784 480 HG13 VAL 68 3HG1 VAL 68 1.687 1.716 -1.804 481 HG21 VAL 68 3HG2 VAL 68 0.508 4.160 -0.977 482 HG22 VAL 68 1HG2 VAL 68 0.095 3.876 -2.675 483 HG23 VAL 68 2HG2 VAL 68 -1.214 4.198 -1.469 484 H SER 69 H SER 69 -3.406 2.367 -1.545 485 HA SER 69 HA SER 69 -3.414 4.862 -2.765 486 HB2 SER 69 1HB SER 69 -5.302 4.768 -4.196 487 HB3 SER 69 2HB SER 69 -4.355 3.348 -4.617 488 HG SER 69 HG SER 69 -6.427 2.726 -4.515 489 H VAL 70 H VAL 70 -4.378 6.212 -1.123 490 HA VAL 70 HA VAL 70 -6.608 4.997 0.318 491 HB VAL 70 HB VAL 70 -4.756 4.574 1.795 492 HG11 VAL 70 1HG1 VAL 70 -3.278 6.518 1.118 493 HG12 VAL 70 2HG1 VAL 70 -4.295 7.539 2.142 494 HG13 VAL 70 3HG1 VAL 70 -3.393 6.191 2.855 495 HG21 VAL 70 3HG2 VAL 70 -6.405 6.872 2.924 496 HG22 VAL 70 1HG2 VAL 70 -7.054 5.237 2.646 497 HG23 VAL 70 2HG2 VAL 70 -5.736 5.463 3.794 498 H TRP 71 H TRP 71 -8.148 6.455 0.744 499 HA TRP 71 HA TRP 71 -7.874 9.194 -0.416 500 HB2 TRP 71 1HB TRP 71 -10.242 7.666 0.771 501 HB3 TRP 71 2HB TRP 71 -10.247 9.297 0.111 502 HD1 TRP 71 HD TRP 71 -9.817 5.638 -1.085 503 HE1 TRP 71 1HE TRP 71 -10.171 5.514 -3.613 504 HE3 TRP 71 3HE TRP 71 -10.311 10.587 -2.068 505 HZ2 TRP 71 2HZ TRP 71 -10.550 7.340 -5.788 506 HZ3 TRP 71 3HZ TRP 71 -10.882 11.408 -4.362 507 HH2 TRP 71 HH TRP 71 -11.024 9.803 -6.240 508 H THR 72 H THR 72 -6.831 10.561 0.980 509 HA THR 72 HA THR 72 -7.762 10.412 3.800 510 HB THR 72 HB THR 72 -5.420 9.671 3.625 511 HG1 THR 72 1HG THR 72 -4.802 11.598 5.152 512 HG21 THR 72 3HG2 THR 72 -4.697 11.133 1.745 513 HG22 THR 72 1HG2 THR 72 -3.605 11.161 3.137 514 HG23 THR 72 2HG2 THR 72 -4.732 12.521 2.841 515 H GLY 73 H GLY 73 -6.804 12.949 4.494 516 HA2 GLY 73 1HA GLY 73 -8.963 14.576 3.871 517 HA3 GLY 73 2HA GLY 73 -7.379 15.182 4.380 518 H GLY 74 H GLY 74 -9.586 15.706 2.113 519 HA2 GLY 74 1HA GLY 74 -9.378 17.030 0.221 520 HA3 GLY 74 2HA GLY 74 -7.649 16.704 0.147 521 H ALA 75 H ALA 75 -7.249 14.033 -0.276 522 HA ALA 75 HA ALA 75 -8.744 13.590 -2.797 523 HB1 ALA 75 1HB ALA 75 -5.805 14.366 -2.644 524 HB2 ALA 75 2HB ALA 75 -6.695 13.959 -4.132 525 HB3 ALA 75 3HB ALA 75 -7.099 15.427 -3.222 526 H LEU 76 H LEU 76 -7.410 11.833 -4.147 527 HA LEU 76 HA LEU 76 -6.946 9.609 -2.287 528 HB2 LEU 76 1HB LEU 76 -8.406 9.348 -4.241 529 HB3 LEU 76 2HB LEU 76 -7.126 9.790 -5.311 530 HG LEU 76 HG LEU 76 -7.835 7.298 -4.732 531 HD11 LEU 76 1HD1 LEU 76 -5.113 8.185 -5.498 532 HD12 LEU 76 2HD1 LEU 76 -6.535 7.711 -6.486 533 HD13 LEU 76 3HD1 LEU 76 -5.691 6.489 -5.558 534 HD21 LEU 76 3HD2 LEU 76 -7.382 7.475 -2.397 535 HD22 LEU 76 1HD2 LEU 76 -5.633 7.358 -2.814 536 HD23 LEU 76 2HD2 LEU 76 -6.768 6.052 -3.223 537 H CYS 77 H CYS 77 -4.925 9.137 -1.741 538 HA CYS 77 HA CYS 77 -2.641 10.337 -3.160 539 HB2 CYS 77 1HB CYS 77 -1.502 9.828 -1.103 540 HB3 CYS 77 2HB CYS 77 -2.717 11.118 -0.864 541 HG CYS 77 HG CYS 77 -3.678 8.182 -0.204 542 H ARG 78 H ARG 78 -1.517 8.758 -4.307 543 HA ARG 78 HA ARG 78 -1.653 6.035 -3.213 544 HB2 ARG 78 1HB ARG 78 -2.651 4.981 -4.950 545 HB3 ARG 78 2HB ARG 78 -3.439 6.497 -5.161 546 HG2 ARG 78 1HG ARG 78 -2.828 6.170 -7.272 547 HG3 ARG 78 2HG ARG 78 -1.317 6.939 -6.772 548 HD2 ARG 78 1HD ARG 78 -0.127 4.915 -6.812 549 HD3 ARG 78 2HD ARG 78 -1.581 3.931 -6.626 550 HE ARG 78 HE ARG 78 -0.506 5.136 -9.093 551 HH11 ARG 78 1HH1 ARG 78 -2.939 2.936 -7.640 552 HH12 ARG 78 2HH1 ARG 78 -3.742 2.662 -9.107 553 HH21 ARG 78 1HH2 ARG 78 -1.720 4.831 -11.060 554 HH22 ARG 78 2HH2 ARG 78 -3.000 3.660 -11.087 555 H CYS 79 H CYS 79 -0.005 4.659 -4.182 556 HA CYS 79 HA CYS 79 2.308 6.049 -5.297 557 HB2 CYS 79 1HB CYS 79 2.253 6.634 -2.816 558 HB3 CYS 79 2HB CYS 79 2.385 4.909 -2.446 559 HG CYS 79 HG CYS 79 4.496 6.687 -4.344 560 H ASP 80 H ASP 80 4.148 4.291 -5.359 561 HA ASP 80 HA ASP 80 2.924 1.648 -5.962 562 HB2 ASP 80 1HB ASP 80 4.800 3.323 -7.642 563 HB3 ASP 80 2HB ASP 80 4.560 1.607 -7.873 564 H GLY 81 H GLY 81 4.174 -0.012 -5.310 565 HA2 GLY 81 1HA GLY 81 6.613 0.562 -3.683 566 HA3 GLY 81 2HA GLY 81 5.103 -0.113 -3.106 567 H ARG 82 H ARG 82 6.962 -1.656 -2.372 568 HA ARG 82 HA ARG 82 6.574 -4.020 -4.040 569 HB2 ARG 82 1HB ARG 82 9.290 -3.469 -2.820 570 HB3 ARG 82 2HB ARG 82 8.710 -4.975 -3.566 571 HG2 ARG 82 1HG ARG 82 8.121 -3.301 -5.593 572 HG3 ARG 82 2HG ARG 82 9.435 -2.363 -4.876 573 HD2 ARG 82 1HD ARG 82 9.515 -5.277 -5.782 574 HD3 ARG 82 2HD ARG 82 10.054 -3.889 -6.696 575 HE ARG 82 HE ARG 82 11.408 -5.263 -4.500 576 HH11 ARG 82 1HH1 ARG 82 11.445 -2.201 -6.380 577 HH12 ARG 82 2HH1 ARG 82 13.089 -1.886 -5.969 578 HH21 ARG 82 1HH2 ARG 82 13.572 -4.785 -4.008 579 HH22 ARG 82 2HH2 ARG 82 14.327 -3.411 -4.728 580 H VAL 83 H VAL 83 6.612 -5.971 -2.436 581 HA VAL 83 HA VAL 83 5.496 -5.430 0.100 582 HB VAL 83 HB VAL 83 6.657 -7.865 -1.223 583 HG11 VAL 83 1HG1 VAL 83 7.005 -8.308 1.151 584 HG12 VAL 83 2HG1 VAL 83 5.345 -7.801 1.524 585 HG13 VAL 83 3HG1 VAL 83 5.658 -9.259 0.547 586 HG21 VAL 83 3HG2 VAL 83 4.478 -6.912 -2.010 587 HG22 VAL 83 1HG2 VAL 83 4.292 -8.526 -1.296 588 HG23 VAL 83 2HG2 VAL 83 3.826 -7.084 -0.374 589 H GLU 84 H GLU 84 8.800 -6.022 -0.785 590 HA GLU 84 HA GLU 84 10.852 -5.959 0.266 591 HB2 GLU 84 1HB GLU 84 9.706 -3.890 1.434 592 HB3 GLU 84 2HB GLU 84 9.610 -4.994 2.787 593 HG2 GLU 84 1HG GLU 84 11.417 -3.773 3.209 594 HG3 GLU 84 2HG GLU 84 12.030 -5.359 2.750 595 H THR 85 H THR 85 8.256 -6.941 2.569 596 HA THR 85 HA THR 85 9.731 -9.359 3.413 597 HB THR 85 HB THR 85 8.854 -7.166 5.360 598 HG1 THR 85 1HG THR 85 11.449 -7.629 4.322 599 HG21 THR 85 3HG2 THR 85 8.975 -9.369 6.369 600 HG22 THR 85 1HG2 THR 85 10.356 -8.398 6.923 601 HG23 THR 85 2HG2 THR 85 10.589 -9.645 5.683 602 H LEU 86 H LEU 86 8.116 -10.783 2.973 603 HA LEU 86 HA LEU 86 5.312 -10.141 3.650 604 HB2 LEU 86 1HB LEU 86 6.142 -11.485 1.546 605 HB3 LEU 86 2HB LEU 86 6.343 -12.809 2.689 606 HG LEU 86 HG LEU 86 3.793 -12.092 3.309 607 HD11 LEU 86 1HD1 LEU 86 3.916 -10.142 1.677 608 HD12 LEU 86 2HD1 LEU 86 2.571 -11.239 1.428 609 HD13 LEU 86 3HD1 LEU 86 4.002 -11.314 0.365 610 HD21 LEU 86 3HD2 LEU 86 4.485 -13.706 0.830 611 HD22 LEU 86 1HD2 LEU 86 2.932 -13.720 1.695 612 HD23 LEU 86 2HD2 LEU 86 4.391 -14.318 2.505 613 H ARG 87 H ARG 87 4.162 -11.640 5.200 614 HA ARG 87 HA ARG 87 5.947 -13.305 6.900 615 HB2 ARG 87 1HB ARG 87 5.738 -11.304 8.120 616 HB3 ARG 87 2HB ARG 87 3.990 -11.217 7.871 617 HG2 ARG 87 1HG ARG 87 3.515 -12.869 9.414 618 HG3 ARG 87 2HG ARG 87 5.134 -13.578 9.340 619 HD2 ARG 87 1HD ARG 87 5.071 -10.748 10.284 620 HD3 ARG 87 2HD ARG 87 4.201 -11.872 11.316 621 HE ARG 87 HE ARG 87 7.085 -12.010 10.555 622 HH11 ARG 87 1HH1 ARG 87 4.472 -13.191 12.669 623 HH12 ARG 87 2HH1 ARG 87 5.493 -14.345 13.469 624 HH21 ARG 87 1HH2 ARG 87 8.436 -13.373 11.754 625 HH22 ARG 87 2HH2 ARG 87 7.805 -14.436 12.963 626 H ASP 88 H ASP 88 2.606 -12.633 5.837 627 HA ASP 88 HA ASP 88 2.133 -15.520 5.620 628 HB2 ASP 88 1HB ASP 88 0.177 -13.541 6.877 629 HB3 ASP 88 2HB ASP 88 -0.243 -15.162 6.375 630 H ASP 89 H ASP 89 0.181 -15.718 4.145 631 HA ASP 89 HA ASP 89 -0.054 -14.094 1.863 632 HB2 ASP 89 1HB ASP 89 -1.814 -16.090 3.299 633 HB3 ASP 89 2HB ASP 89 -2.499 -15.174 1.966 634 H ARG 90 H ARG 90 -0.936 -13.305 4.957 635 HA ARG 90 HA ARG 90 -2.987 -11.289 4.157 636 HB2 ARG 90 1HB ARG 90 -4.056 -11.737 6.371 637 HB3 ARG 90 2HB ARG 90 -4.189 -13.079 5.216 638 HG2 ARG 90 1HG ARG 90 -2.579 -14.401 6.343 639 HG3 ARG 90 2HG ARG 90 -1.972 -13.027 7.247 640 HD2 ARG 90 1HD ARG 90 -3.187 -14.020 8.881 641 HD3 ARG 90 2HD ARG 90 -4.379 -12.889 8.253 642 HE ARG 90 HE ARG 90 -4.245 -15.629 7.087 643 HH11 ARG 90 1HH1 ARG 90 -6.246 -13.243 8.842 644 HH12 ARG 90 2HH1 ARG 90 -7.432 -14.428 9.264 645 HH21 ARG 90 1HH2 ARG 90 -5.786 -17.178 7.779 646 HH22 ARG 90 2HH2 ARG 90 -7.245 -16.596 8.517 647 H GLN 91 H GLN 91 0.020 -11.863 5.958 648 HA GLN 91 HA GLN 91 -0.255 -9.197 7.195 649 HB2 GLN 91 1HB GLN 91 1.303 -11.528 8.315 650 HB3 GLN 91 2HB GLN 91 1.131 -9.926 9.007 651 HG2 GLN 91 1HG GLN 91 -1.341 -10.340 9.235 652 HG3 GLN 91 2HG GLN 91 -1.058 -12.014 8.763 653 HE21 GLN 91 1HE2 GLN 91 1.109 -12.947 10.093 654 HE22 GLN 91 2HE2 GLN 91 0.999 -12.601 11.810 655 H PHE 92 H PHE 92 1.249 -7.913 6.290 656 HA PHE 92 HA PHE 92 3.939 -8.870 5.780 657 HB2 PHE 92 1HB PHE 92 3.872 -8.385 3.280 658 HB3 PHE 92 2HB PHE 92 3.153 -9.869 3.842 659 HD1 PHE 92 1HD PHE 92 0.813 -10.354 3.685 660 HD2 PHE 92 2HD PHE 92 2.418 -6.616 2.279 661 HE1 PHE 92 1HE PHE 92 -1.298 -9.906 2.492 662 HE2 PHE 92 2HE PHE 92 0.336 -6.222 0.975 663 HZ PHE 92 HZ PHE 92 -1.535 -7.842 1.098 664 H ALA 93 H ALA 93 5.301 -7.214 4.793 665 HA ALA 93 HA ALA 93 4.532 -4.535 5.709 666 HB1 ALA 93 1HB ALA 93 6.755 -5.645 6.331 667 HB2 ALA 93 2HB ALA 93 7.202 -5.507 4.624 668 HB3 ALA 93 3HB ALA 93 6.863 -4.045 5.594 669 H ILE 94 H ILE 94 5.228 -2.773 4.127 670 HA ILE 94 HA ILE 94 5.759 -3.508 1.359 671 HB ILE 94 HB ILE 94 4.207 -1.612 0.638 672 HG12 ILE 94 1HG1 ILE 94 2.667 -2.213 3.181 673 HG13 ILE 94 2HG1 ILE 94 3.601 -0.761 2.885 674 HG21 ILE 94 1HG2 ILE 94 2.372 -3.077 0.121 675 HG22 ILE 94 2HG2 ILE 94 3.919 -3.904 -0.025 676 HG23 ILE 94 3HG2 ILE 94 2.880 -4.208 1.390 677 HD11 ILE 94 3HD1 ILE 94 1.304 -0.253 2.474 678 HD12 ILE 94 1HD1 ILE 94 2.180 -0.215 0.934 679 HD13 ILE 94 2HD1 ILE 94 1.137 -1.602 1.338 680 H ARG 95 H ARG 95 7.294 -2.233 0.590 681 HA ARG 95 HA ARG 95 8.265 0.091 2.184 682 HB2 ARG 95 1HB ARG 95 9.753 -1.822 1.545 683 HB3 ARG 95 2HB ARG 95 9.617 -1.346 -0.145 684 HG2 ARG 95 1HG ARG 95 10.807 0.257 2.169 685 HG3 ARG 95 2HG ARG 95 11.711 -0.678 1.003 686 HD2 ARG 95 1HD ARG 95 10.314 0.964 -0.662 687 HD3 ARG 95 2HD ARG 95 10.496 2.001 0.749 688 HE ARG 95 HE ARG 95 12.516 1.169 -1.156 689 HH11 ARG 95 1HH1 ARG 95 12.280 2.318 2.282 690 HH12 ARG 95 2HH1 ARG 95 13.973 2.661 2.302 691 HH21 ARG 95 1HH2 ARG 95 14.598 1.838 -1.022 692 HH22 ARG 95 2HH2 ARG 95 15.294 2.419 0.477 693 H LEU 96 H LEU 96 7.596 2.044 1.488 694 HA LEU 96 HA LEU 96 6.172 2.324 -1.096 695 HB2 LEU 96 1HB LEU 96 6.950 4.536 0.857 696 HB3 LEU 96 2HB LEU 96 5.816 4.617 -0.482 697 HG LEU 96 HG LEU 96 5.477 3.405 2.255 698 HD11 LEU 96 1HD1 LEU 96 4.718 5.720 1.689 699 HD12 LEU 96 2HD1 LEU 96 3.428 4.677 2.287 700 HD13 LEU 96 3HD1 LEU 96 3.556 5.041 0.542 701 HD21 LEU 96 3HD2 LEU 96 3.905 2.559 -0.193 702 HD22 LEU 96 1HD2 LEU 96 3.242 2.451 1.459 703 HD23 LEU 96 2HD2 LEU 96 4.694 1.550 1.068 704 H VAL 97 H VAL 97 7.288 2.950 -2.982 705 HA VAL 97 HA VAL 97 9.996 4.112 -2.589 706 HB VAL 97 HB VAL 97 10.649 3.196 -4.748 707 HG11 VAL 97 1HG1 VAL 97 11.189 0.965 -4.012 708 HG12 VAL 97 2HG1 VAL 97 11.284 2.106 -2.656 709 HG13 VAL 97 3HG1 VAL 97 9.878 1.005 -2.807 710 HG21 VAL 97 3HG2 VAL 97 8.395 2.726 -5.718 711 HG22 VAL 97 1HG2 VAL 97 9.543 1.388 -5.867 712 HG23 VAL 97 2HG2 VAL 97 8.263 1.332 -4.648 713 H GLY 98 H GLY 98 10.545 5.825 -4.122 714 HA2 GLY 98 1HA GLY 98 10.185 7.427 -5.515 715 HA3 GLY 98 2HA GLY 98 8.547 6.840 -5.900 716 H ARG 99 H ARG 99 7.705 8.620 -5.541 717 HA ARG 99 HA ARG 99 7.537 9.885 -2.829 718 HB2 ARG 99 1HB ARG 99 9.063 11.025 -4.560 719 HB3 ARG 99 2HB ARG 99 7.574 11.430 -5.428 720 HG2 ARG 99 1HG ARG 99 7.959 12.224 -2.538 721 HG3 ARG 99 2HG ARG 99 8.664 13.179 -3.838 722 HD2 ARG 99 1HD ARG 99 5.965 12.693 -4.589 723 HD3 ARG 99 2HD ARG 99 5.929 13.085 -2.871 724 HE ARG 99 HE ARG 99 7.589 14.946 -4.325 725 HH11 ARG 99 1HH1 ARG 99 4.155 14.169 -3.744 726 HH12 ARG 99 2HH1 ARG 99 3.610 15.780 -4.100 727 HH21 ARG 99 1HH2 ARG 99 6.862 16.942 -4.954 728 HH22 ARG 99 2HH2 ARG 99 5.163 17.375 -4.881 729 H VAL 100 H VAL 100 5.534 10.573 -2.248 730 HA VAL 100 HA VAL 100 3.336 9.237 -3.631 731 HB VAL 100 HB VAL 100 3.127 11.081 -1.222 732 HG11 VAL 100 1HG1 VAL 100 1.342 8.790 -2.201 733 HG12 VAL 100 2HG1 VAL 100 1.119 9.701 -0.688 734 HG13 VAL 100 3HG1 VAL 100 0.938 10.512 -2.230 735 HG21 VAL 100 3HG2 VAL 100 4.759 9.294 -0.746 736 HG22 VAL 100 1HG2 VAL 100 3.286 9.094 0.187 737 HG23 VAL 100 2HG2 VAL 100 3.580 8.065 -1.243 738 H ARG 101 H ARG 101 1.418 10.327 -4.593 739 HA ARG 101 HA ARG 101 1.331 13.195 -4.407 740 HB2 ARG 101 1HB ARG 101 0.836 13.323 -6.984 741 HB3 ARG 101 2HB ARG 101 2.458 13.516 -6.348 742 HG2 ARG 101 1HG ARG 101 3.172 11.394 -7.118 743 HG3 ARG 101 2HG ARG 101 1.508 10.830 -7.394 744 HD2 ARG 101 1HD ARG 101 1.174 12.396 -9.183 745 HD3 ARG 101 2HD ARG 101 2.689 13.238 -8.847 746 HE ARG 101 HE ARG 101 2.289 10.764 -10.354 747 HH11 ARG 101 1HH1 ARG 101 4.783 12.810 -8.733 748 HH12 ARG 101 2HH1 ARG 101 6.000 12.291 -9.837 749 HH21 ARG 101 1HH2 ARG 101 3.936 10.111 -11.673 750 HH22 ARG 101 2HH2 ARG 101 5.575 10.636 -11.442 751 H GLU 102 H GLU 102 -0.733 14.054 -5.208 752 HA GLU 102 HA GLU 102 -2.858 12.077 -4.675 753 HB2 GLU 102 1HB GLU 102 -4.253 14.179 -4.242 754 HB3 GLU 102 2HB GLU 102 -3.212 13.497 -3.022 755 HG2 GLU 102 1HG GLU 102 -2.538 15.543 -2.608 756 HG3 GLU 102 2HG GLU 102 -1.516 15.416 -4.014 757 H LEU 103 H LEU 103 -2.658 11.276 -6.718 758 HA LEU 103 HA LEU 103 -2.714 12.954 -9.055 759 HB2 LEU 103 1HB LEU 103 -3.186 10.010 -9.239 760 HB3 LEU 103 2HB LEU 103 -2.432 11.160 -10.335 761 HG LEU 103 HG LEU 103 -0.690 11.348 -8.252 762 HD11 LEU 103 1HD1 LEU 103 -0.245 9.081 -7.422 763 HD12 LEU 103 2HD1 LEU 103 -1.614 8.456 -8.378 764 HD13 LEU 103 3HD1 LEU 103 -1.908 9.545 -7.011 765 HD21 LEU 103 3HD2 LEU 103 -0.748 9.384 -10.577 766 HD22 LEU 103 1HD2 LEU 103 0.699 9.767 -9.630 767 HD23 LEU 103 2HD2 LEU 103 -0.124 11.047 -10.578 768 H GLN 104 H GLN 104 -5.277 12.017 -7.067 769 HA GLN 104 HA GLN 104 -7.316 12.114 -9.166 770 HB2 GLN 104 1HB GLN 104 -6.696 9.786 -7.342 771 HB3 GLN 104 2HB GLN 104 -8.349 10.035 -7.904 772 HG2 GLN 104 1HG GLN 104 -7.711 9.660 -10.178 773 HG3 GLN 104 2HG GLN 104 -5.993 9.774 -9.782 774 HE21 GLN 104 1HE2 GLN 104 -8.869 7.632 -9.195 775 HE22 GLN 104 2HE2 GLN 104 -7.874 6.185 -9.101 776 H ARG 105 H ARG 105 -9.198 12.966 -8.463 777 HA ARG 105 HA ARG 105 -9.362 13.983 -5.657 778 HB2 ARG 105 1HB ARG 105 -8.786 15.559 -8.171 779 HB3 ARG 105 2HB ARG 105 -9.692 16.292 -6.838 780 HG2 ARG 105 1HG ARG 105 -7.852 15.900 -5.311 781 HG3 ARG 105 2HG ARG 105 -6.896 15.084 -6.570 782 HD2 ARG 105 1HD ARG 105 -6.633 17.075 -7.825 783 HD3 ARG 105 2HD ARG 105 -7.991 17.862 -6.999 784 HE ARG 105 HE ARG 105 -5.726 17.191 -5.246 785 HH11 ARG 105 1HH1 ARG 105 -7.058 19.703 -7.367 786 HH12 ARG 105 2HH1 ARG 105 -6.664 21.009 -6.324 787 HH21 ARG 105 1HH2 ARG 105 -5.034 18.805 -3.996 788 HH22 ARG 105 2HH2 ARG 105 -5.419 20.496 -4.300 789 H ARG 106 H ARG 106 -11.387 13.567 -5.099 790 HA ARG 106 HA ARG 106 -13.642 13.753 -7.021 791 HB2 ARG 106 1HB ARG 106 -14.988 12.753 -5.360 792 HB3 ARG 106 2HB ARG 106 -13.536 11.779 -5.436 793 HG2 ARG 106 1HG ARG 106 -13.066 12.125 -3.244 794 HG3 ARG 106 2HG ARG 106 -13.233 13.859 -3.382 795 HD2 ARG 106 1HD ARG 106 -15.873 13.178 -3.471 796 HD3 ARG 106 2HD ARG 106 -15.260 11.826 -2.527 797 HE ARG 106 HE ARG 106 -15.676 14.550 -1.698 798 HH11 ARG 106 1HH1 ARG 106 -13.629 11.749 -0.911 799 HH12 ARG 106 2HH1 ARG 106 -13.137 12.476 0.604 800 HH21 ARG 106 1HH2 ARG 106 -15.101 15.366 0.219 801 HH22 ARG 106 2HH2 ARG 106 -13.910 14.555 1.233 802 H GLU 107 H GLU 107 -15.583 15.059 -5.979 803 HA GLU 107 HA GLU 107 -16.420 17.043 -5.318 804 HB2 GLU 107 1HB GLU 107 -16.227 15.462 -3.397 805 HB3 GLU 107 2HB GLU 107 -14.900 16.447 -2.781 806 HG2 GLU 107 1HG GLU 107 -16.466 18.346 -2.524 807 HG3 GLU 107 2HG GLU 107 -17.738 17.436 -3.358 808 H TYR 108 H TYR 108 -14.970 17.801 -7.029 809 HA TYR 108 HA TYR 108 -12.935 19.700 -6.149 810 HB2 TYR 108 1HB TYR 108 -11.512 19.342 -7.707 811 HB3 TYR 108 2HB TYR 108 -12.292 17.764 -7.600 812 HD1 TYR 108 2HD TYR 108 -14.722 18.437 -8.765 813 HD2 TYR 108 1HD TYR 108 -10.917 19.565 -9.996 814 HE1 TYR 108 2HE TYR 108 -15.606 18.475 -11.216 815 HE2 TYR 108 1HE TYR 108 -11.651 19.754 -12.418 816 HH TYR 108 HH TYR 108 -13.461 19.570 -13.888 817 H PHE 109 H PHE 109 -15.959 19.820 -6.908 818 HA PHE 109 HA PHE 109 -15.954 22.335 -8.471 819 HB2 PHE 109 1HB PHE 109 -18.448 22.198 -8.271 820 HB3 PHE 109 2HB PHE 109 -17.669 20.969 -9.232 821 HD1 PHE 109 2HD PHE 109 -18.842 21.443 -5.662 822 HD2 PHE 109 1HD PHE 109 -18.502 18.809 -9.056 823 HE1 PHE 109 2HE PHE 109 -20.026 19.669 -4.402 824 HE2 PHE 109 1HE PHE 109 -19.775 17.064 -7.824 825 HZ PHE 109 HZ PHE 109 -20.539 17.492 -5.488 Start of MODEL 16 1 H1 GLY 1 H GLY 1 7.747 16.996 10.117 2 HA2 GLY 1 1HA GLY 1 8.516 16.654 12.963 3 HA3 GLY 1 2HA GLY 1 7.699 15.392 12.014 4 H MET 2 H MET 2 10.616 17.544 11.868 5 HA MET 2 HA MET 2 12.184 15.562 10.397 6 HB2 MET 2 1HB MET 2 12.646 18.009 10.221 7 HB3 MET 2 2HB MET 2 13.014 18.057 11.950 8 HG2 MET 2 1HG MET 2 14.825 16.338 11.528 9 HG3 MET 2 2HG MET 2 14.501 16.482 9.801 10 HE1 MET 2 3HE MET 2 17.302 16.778 11.350 11 HE2 MET 2 1HE MET 2 17.177 16.915 9.583 12 HE3 MET 2 2HE MET 2 18.036 18.161 10.506 13 H SER 3 H SER 3 11.512 13.812 11.799 14 HA SER 3 HA SER 3 13.463 13.397 13.937 15 HB2 SER 3 1HB SER 3 11.398 14.319 15.066 16 HB3 SER 3 2HB SER 3 10.512 12.906 14.478 17 HG SER 3 HG SER 3 12.747 13.028 16.217 18 H ALA 4 H ALA 4 10.546 11.434 13.168 19 HA ALA 4 HA ALA 4 12.124 9.212 12.418 20 HB1 ALA 4 1HB ALA 4 9.248 9.748 11.581 21 HB2 ALA 4 2HB ALA 4 10.064 8.179 11.787 22 HB3 ALA 4 3HB ALA 4 9.725 9.174 13.205 23 H ASP 5 H ASP 5 10.597 11.738 10.475 24 HA ASP 5 HA ASP 5 10.839 12.444 8.347 25 HB2 ASP 5 1HB ASP 5 12.752 13.381 9.453 26 HB3 ASP 5 2HB ASP 5 13.725 11.944 9.098 27 H GLY 6 H GLY 6 9.746 10.886 7.047 28 HA2 GLY 6 1HA GLY 6 11.594 9.236 5.377 29 HA3 GLY 6 2HA GLY 6 10.227 8.455 6.176 30 H SER 7 H SER 7 11.122 11.058 3.883 31 HA SER 7 HA SER 7 9.952 12.058 2.212 32 HB2 SER 7 1HB SER 7 10.156 9.578 1.490 33 HB3 SER 7 2HB SER 7 8.413 9.502 1.795 34 HG SER 7 HG SER 7 9.330 10.118 -0.391 35 H GLU 8 H GLU 8 7.102 11.455 1.489 36 HA GLU 8 HA GLU 8 5.754 12.842 3.784 37 HB2 GLU 8 1HB GLU 8 6.128 13.856 1.388 38 HB3 GLU 8 2HB GLU 8 4.709 12.898 0.953 39 HG2 GLU 8 1HG GLU 8 3.364 14.046 2.647 40 HG3 GLU 8 2HG GLU 8 4.802 14.799 3.350 41 H TYR 9 H TYR 9 6.171 9.883 3.110 42 HA TYR 9 HA TYR 9 3.673 8.775 2.230 43 HB2 TYR 9 1HB TYR 9 5.622 7.371 4.102 44 HB3 TYR 9 2HB TYR 9 4.505 6.660 2.968 45 HD1 TYR 9 2HD TYR 9 4.987 7.602 0.390 46 HD2 TYR 9 1HD TYR 9 7.816 6.911 3.539 47 HE1 TYR 9 2HE TYR 9 6.800 7.525 -1.320 48 HE2 TYR 9 1HE TYR 9 9.584 6.546 1.889 49 HH TYR 9 HH TYR 9 9.124 7.164 -1.632 50 H GLY 10 H GLY 10 4.963 9.372 5.531 51 HA2 GLY 10 1HA GLY 10 2.812 8.025 6.887 52 HA3 GLY 10 2HA GLY 10 4.044 9.097 7.579 53 H ARG 11 H ARG 11 3.051 11.152 5.402 54 HA ARG 11 HA ARG 11 1.080 12.501 7.096 55 HB2 ARG 11 1HB ARG 11 1.940 13.220 4.266 56 HB3 ARG 11 2HB ARG 11 1.243 14.269 5.476 57 HG2 ARG 11 1HG ARG 11 3.529 13.382 6.790 58 HG3 ARG 11 2HG ARG 11 4.057 13.382 5.112 59 HD2 ARG 11 1HD ARG 11 4.577 15.539 5.984 60 HD3 ARG 11 2HD ARG 11 3.147 15.765 4.967 61 HE ARG 11 HE ARG 11 2.933 15.281 7.910 62 HH11 ARG 11 1HH1 ARG 11 2.290 17.470 5.159 63 HH12 ARG 11 2HH1 ARG 11 1.360 18.573 6.090 64 HH21 ARG 11 1HH2 ARG 11 1.531 16.670 9.109 65 HH22 ARG 11 2HH2 ARG 11 1.030 18.169 8.417 66 H TYR 12 H TYR 12 0.957 10.118 4.674 67 HA TYR 12 HA TYR 12 -1.894 10.693 4.048 68 HB2 TYR 12 1HB TYR 12 0.040 8.931 2.516 69 HB3 TYR 12 2HB TYR 12 -1.508 9.530 1.989 70 HD1 TYR 12 1HD TYR 12 -0.551 12.575 3.036 71 HD2 TYR 12 2HD TYR 12 0.917 9.503 0.438 72 HE1 TYR 12 1HE TYR 12 0.768 14.270 1.835 73 HE2 TYR 12 2HE TYR 12 2.043 11.192 -0.947 74 HH TYR 12 HH TYR 12 2.376 14.609 0.140 75 H PHE 13 H PHE 13 0.503 8.160 4.875 76 HA PHE 13 HA PHE 13 -1.671 6.197 5.317 77 HB2 PHE 13 1HB PHE 13 1.304 5.779 5.300 78 HB3 PHE 13 2HB PHE 13 0.065 4.538 5.275 79 HD1 PHE 13 2HD PHE 13 -1.711 4.866 3.192 80 HD2 PHE 13 1HD PHE 13 2.385 6.154 3.237 81 HE1 PHE 13 2HE PHE 13 -1.651 4.782 0.711 82 HE2 PHE 13 1HE PHE 13 2.424 6.155 0.755 83 HZ PHE 13 HZ PHE 13 0.379 5.417 -0.510 84 H GLU 14 H GLU 14 -2.429 6.453 7.179 85 HA GLU 14 HA GLU 14 -0.836 7.077 9.601 86 HB2 GLU 14 1HB GLU 14 -3.062 8.108 9.055 87 HB3 GLU 14 2HB GLU 14 -3.832 6.568 9.411 88 HG2 GLU 14 1HG GLU 14 -2.218 8.385 11.270 89 HG3 GLU 14 2HG GLU 14 -3.976 8.263 11.223 90 H GLN 15 H GLN 15 -1.116 5.565 11.351 91 HA GLN 15 HA GLN 15 -0.086 2.940 10.653 92 HB2 GLN 15 1HB GLN 15 0.474 4.525 12.577 93 HB3 GLN 15 2HB GLN 15 -1.000 3.947 13.345 94 HG2 GLN 15 1HG GLN 15 -0.157 1.863 13.782 95 HG3 GLN 15 2HG GLN 15 0.834 1.827 12.335 96 HE21 GLN 15 1HE2 GLN 15 2.437 4.317 12.789 97 HE22 GLN 15 2HE2 GLN 15 3.450 3.885 14.142 98 H LEU 16 H LEU 16 -3.273 3.967 11.183 99 HA LEU 16 HA LEU 16 -4.163 1.117 11.392 100 HB2 LEU 16 1HB LEU 16 -5.277 3.634 12.651 101 HB3 LEU 16 2HB LEU 16 -6.129 2.099 12.591 102 HG LEU 16 HG LEU 16 -4.064 1.082 13.720 103 HD11 LEU 16 1HD1 LEU 16 -3.212 3.856 13.930 104 HD12 LEU 16 2HD1 LEU 16 -2.362 2.277 13.753 105 HD13 LEU 16 3HD1 LEU 16 -2.956 2.750 15.315 106 HD21 LEU 16 3HD2 LEU 16 -6.292 1.517 14.848 107 HD22 LEU 16 1HD2 LEU 16 -5.755 3.168 15.212 108 HD23 LEU 16 2HD2 LEU 16 -4.955 1.778 15.977 109 H GLN 17 H GLN 17 -3.943 3.464 9.177 110 HA GLN 17 HA GLN 17 -6.649 3.655 8.108 111 HB2 GLN 17 1HB GLN 17 -3.993 4.809 7.557 112 HB3 GLN 17 2HB GLN 17 -4.765 4.334 6.060 113 HG2 GLN 17 1HG GLN 17 -6.795 5.653 6.746 114 HG3 GLN 17 2HG GLN 17 -5.977 6.116 8.231 115 HE21 GLN 17 1HE2 GLN 17 -5.300 6.108 4.669 116 HE22 GLN 17 2HE2 GLN 17 -4.336 7.592 4.773 117 H LYS 18 H LYS 18 -6.773 3.207 5.577 118 HA LYS 18 HA LYS 18 -5.955 0.360 5.076 119 HB2 LYS 18 1HB LYS 18 -8.380 2.009 4.226 120 HB3 LYS 18 2HB LYS 18 -7.832 0.644 3.292 121 HG2 LYS 18 1HG LYS 18 -9.171 -0.580 4.653 122 HG3 LYS 18 2HG LYS 18 -7.787 -0.519 5.727 123 HD2 LYS 18 1HD LYS 18 -9.161 0.242 7.268 124 HD3 LYS 18 2HD LYS 18 -9.027 1.803 6.489 125 HE2 LYS 18 1HE LYS 18 -11.097 -0.359 5.883 126 HE3 LYS 18 2HE LYS 18 -11.375 1.037 6.907 127 HZ1 LYS 18 3HZ LYS 18 -11.048 2.461 4.961 128 HZ2 LYS 18 1HZ LYS 18 -12.252 1.354 4.711 129 HZ3 LYS 18 2HZ LYS 18 -10.809 1.130 3.992 130 H VAL 19 H VAL 19 -5.289 -0.148 3.000 131 HA VAL 19 HA VAL 19 -4.877 2.005 1.041 132 HB VAL 19 HB VAL 19 -2.631 1.094 0.489 133 HG11 VAL 19 1HG1 VAL 19 -2.868 2.314 3.266 134 HG12 VAL 19 2HG1 VAL 19 -1.442 2.361 2.212 135 HG13 VAL 19 3HG1 VAL 19 -2.947 3.190 1.745 136 HG21 VAL 19 3HG2 VAL 19 -1.323 -0.143 2.156 137 HG22 VAL 19 1HG2 VAL 19 -2.717 -0.233 3.249 138 HG23 VAL 19 2HG2 VAL 19 -2.735 -1.096 1.699 139 H ASN 20 H ASN 20 -5.160 1.227 -1.162 140 HA ASN 20 HA ASN 20 -6.360 -1.337 -1.514 141 HB2 ASN 20 1HB ASN 20 -6.427 0.878 -3.061 142 HB3 ASN 20 2HB ASN 20 -4.909 0.262 -3.654 143 HD21 ASN 20 1HD2 ASN 20 -7.894 -1.763 -2.739 144 HD22 ASN 20 2HD2 ASN 20 -7.933 -2.451 -4.321 145 H LEU 21 H LEU 21 -5.386 -3.152 -2.679 146 HA LEU 21 HA LEU 21 -2.485 -3.438 -1.993 147 HB2 LEU 21 1HB LEU 21 -4.700 -5.494 -1.845 148 HB3 LEU 21 2HB LEU 21 -3.043 -5.734 -1.359 149 HG LEU 21 HG LEU 21 -5.062 -3.926 0.003 150 HD11 LEU 21 1HD1 LEU 21 -5.091 -5.647 1.665 151 HD12 LEU 21 2HD1 LEU 21 -3.738 -6.514 0.923 152 HD13 LEU 21 3HD1 LEU 21 -5.316 -6.463 0.138 153 HD21 LEU 21 3HD2 LEU 21 -2.190 -4.581 0.832 154 HD22 LEU 21 1HD2 LEU 21 -3.368 -3.607 1.743 155 HD23 LEU 21 2HD2 LEU 21 -2.745 -3.015 0.216 156 H THR 22 H THR 22 -2.771 -2.648 -4.653 157 HA THR 22 HA THR 22 -3.401 -4.831 -6.354 158 HB THR 22 HB THR 22 -1.514 -3.020 -7.584 159 HG1 THR 22 1HG THR 22 -1.925 -1.270 -6.818 160 HG21 THR 22 3HG2 THR 22 -3.256 -4.309 -8.719 161 HG22 THR 22 1HG2 THR 22 -3.356 -2.562 -9.050 162 HG23 THR 22 2HG2 THR 22 -4.512 -3.320 -7.919 163 H VAL 23 H VAL 23 -2.286 -6.700 -6.346 164 HA VAL 23 HA VAL 23 0.688 -6.611 -6.302 165 HB VAL 23 HB VAL 23 -1.029 -9.046 -5.739 166 HG11 VAL 23 1HG1 VAL 23 1.876 -8.288 -5.175 167 HG12 VAL 23 2HG1 VAL 23 1.101 -9.789 -4.662 168 HG13 VAL 23 3HG1 VAL 23 1.315 -9.456 -6.387 169 HG21 VAL 23 3HG2 VAL 23 -0.356 -8.649 -3.306 170 HG22 VAL 23 1HG2 VAL 23 0.026 -6.981 -3.776 171 HG23 VAL 23 2HG2 VAL 23 -1.627 -7.609 -3.947 172 H ARG 24 H ARG 24 1.416 -6.526 -8.389 173 HA ARG 24 HA ARG 24 0.241 -7.590 -10.683 174 HB2 ARG 24 1HB ARG 24 1.970 -5.826 -10.561 175 HB3 ARG 24 2HB ARG 24 3.124 -6.975 -9.875 176 HG2 ARG 24 1HG ARG 24 3.100 -8.306 -11.907 177 HG3 ARG 24 2HG ARG 24 1.875 -7.214 -12.599 178 HD2 ARG 24 1HD ARG 24 3.575 -5.333 -12.230 179 HD3 ARG 24 2HD ARG 24 4.778 -6.618 -11.988 180 HE ARG 24 HE ARG 24 3.409 -7.143 -14.399 181 HH11 ARG 24 1HH1 ARG 24 5.549 -4.589 -13.086 182 HH12 ARG 24 2HH1 ARG 24 6.064 -4.065 -14.663 183 HH21 ARG 24 1HH2 ARG 24 4.206 -6.428 -16.504 184 HH22 ARG 24 2HH2 ARG 24 4.964 -4.888 -16.587 185 H LEU 25 H LEU 25 0.166 -9.692 -11.472 186 HA LEU 25 HA LEU 25 1.977 -11.741 -10.271 187 HB2 LEU 25 1HB LEU 25 -0.800 -12.156 -11.422 188 HB3 LEU 25 2HB LEU 25 0.264 -13.379 -10.761 189 HG LEU 25 HG LEU 25 -1.030 -11.090 -9.214 190 HD11 LEU 25 1HD1 LEU 25 -1.562 -14.078 -9.189 191 HD12 LEU 25 2HD1 LEU 25 -2.602 -12.832 -9.895 192 HD13 LEU 25 3HD1 LEU 25 -2.336 -12.874 -8.142 193 HD21 LEU 25 3HD2 LEU 25 0.861 -13.275 -8.262 194 HD22 LEU 25 1HD2 LEU 25 -0.142 -12.252 -7.208 195 HD23 LEU 25 2HD2 LEU 25 1.108 -11.519 -8.177 196 H GLY 26 H GLY 26 3.157 -10.348 -12.089 197 HA2 GLY 26 1HA GLY 26 4.229 -10.556 -14.185 198 HA3 GLY 26 2HA GLY 26 3.132 -11.871 -14.635 199 H ASP 27 H ASP 27 2.825 -10.650 -16.662 200 HA ASP 27 HA ASP 27 1.921 -7.887 -16.515 201 HB2 ASP 27 1HB ASP 27 2.056 -9.724 -18.902 202 HB3 ASP 27 2HB ASP 27 2.014 -7.955 -18.920 203 H THR 28 H THR 28 0.313 -11.009 -16.913 204 HA THR 28 HA THR 28 -2.247 -9.618 -17.396 205 HB THR 28 HB THR 28 -1.949 -12.255 -18.736 206 HG1 THR 28 1HG THR 28 -0.062 -11.511 -19.364 207 HG21 THR 28 3HG2 THR 28 -3.313 -11.160 -20.419 208 HG22 THR 28 1HG2 THR 28 -3.100 -9.581 -19.611 209 HG23 THR 28 2HG2 THR 28 -4.001 -10.891 -18.815 210 H GLY 29 H GLY 29 -1.986 -9.802 -15.060 211 HA2 GLY 29 1HA GLY 29 -3.829 -11.445 -13.895 212 HA3 GLY 29 2HA GLY 29 -2.288 -12.307 -13.683 213 H SER 30 H SER 30 -4.150 -10.622 -11.819 214 HA SER 30 HA SER 30 -1.994 -9.507 -10.258 215 HB2 SER 30 1HB SER 30 -3.629 -7.373 -10.058 216 HB3 SER 30 2HB SER 30 -2.189 -7.458 -11.051 217 HG SER 30 HG SER 30 -4.274 -6.706 -11.976 218 H PHE 31 H PHE 31 -3.124 -8.583 -8.172 219 HA PHE 31 HA PHE 31 -5.776 -9.702 -7.599 220 HB2 PHE 31 1HB PHE 31 -4.178 -11.298 -6.599 221 HB3 PHE 31 2HB PHE 31 -3.287 -9.990 -5.849 222 HD1 PHE 31 2HD PHE 31 -6.393 -12.002 -5.725 223 HD2 PHE 31 1HD PHE 31 -4.078 -8.905 -3.801 224 HE1 PHE 31 2HE PHE 31 -7.739 -12.274 -3.675 225 HE2 PHE 31 1HE PHE 31 -5.456 -9.159 -1.746 226 HZ PHE 31 HZ PHE 31 -7.288 -10.835 -1.678 227 H ASP 32 H ASP 32 -6.921 -8.087 -6.173 228 HA ASP 32 HA ASP 32 -5.283 -6.117 -4.915 229 HB2 ASP 32 1HB ASP 32 -6.080 -4.399 -5.928 230 HB3 ASP 32 2HB ASP 32 -6.441 -5.411 -7.288 231 H GLY 33 H GLY 33 -6.137 -5.545 -2.994 232 HA2 GLY 33 1HA GLY 33 -8.575 -6.958 -2.014 233 HA3 GLY 33 2HA GLY 33 -7.006 -7.321 -1.316 234 H THR 34 H THR 34 -8.512 -6.612 0.570 235 HA THR 34 HA THR 34 -7.958 -3.756 1.147 236 HB THR 34 HB THR 34 -10.204 -5.087 2.579 237 HG1 THR 34 1HG THR 34 -10.575 -5.625 0.295 238 HG21 THR 34 3HG2 THR 34 -11.257 -2.871 2.292 239 HG22 THR 34 1HG2 THR 34 -9.836 -2.348 1.355 240 HG23 THR 34 2HG2 THR 34 -9.673 -2.785 3.079 241 H ALA 35 H ALA 35 -6.721 -3.479 2.877 242 HA ALA 35 HA ALA 35 -6.572 -5.382 5.087 243 HB1 ALA 35 1HB ALA 35 -4.114 -5.285 5.173 244 HB2 ALA 35 2HB ALA 35 -4.604 -6.098 3.710 245 HB3 ALA 35 3HB ALA 35 -4.030 -4.403 3.661 246 H ALA 36 H ALA 36 -5.881 -4.305 6.971 247 HA ALA 36 HA ALA 36 -5.916 -1.322 6.856 248 HB1 ALA 36 1HB ALA 36 -6.231 -3.232 9.220 249 HB2 ALA 36 2HB ALA 36 -6.411 -1.462 9.245 250 HB3 ALA 36 3HB ALA 36 -7.582 -2.477 8.353 251 H ILE 37 H ILE 37 -4.198 -0.253 7.961 252 HA ILE 37 HA ILE 37 -1.622 -1.577 7.965 253 HB ILE 37 HB ILE 37 -2.519 1.234 8.706 254 HG12 ILE 37 1HG1 ILE 37 -1.098 0.336 6.174 255 HG13 ILE 37 2HG1 ILE 37 -2.831 0.441 6.235 256 HG21 ILE 37 1HG2 ILE 37 -0.180 1.941 8.475 257 HG22 ILE 37 2HG2 ILE 37 -0.260 0.717 9.690 258 HG23 ILE 37 3HG2 ILE 37 0.320 0.273 8.092 259 HD11 ILE 37 3HD1 ILE 37 -1.928 2.420 5.201 260 HD12 ILE 37 1HD1 ILE 37 -2.748 2.826 6.710 261 HD13 ILE 37 2HD1 ILE 37 -0.967 2.797 6.624 262 H THR 38 H THR 38 -0.281 -1.406 9.970 263 HA THR 38 HA THR 38 -1.692 -1.582 12.498 264 HB THR 38 HB THR 38 -0.481 -3.737 13.058 265 HG1 THR 38 1HG THR 38 0.978 -4.345 11.711 266 HG21 THR 38 3HG2 THR 38 -2.856 -3.838 12.291 267 HG22 THR 38 1HG2 THR 38 -1.904 -5.279 11.853 268 HG23 THR 38 2HG2 THR 38 -2.274 -4.058 10.612 269 H SER 39 H SER 39 1.408 -1.487 10.793 270 HA SER 39 HA SER 39 2.451 0.215 12.989 271 HB2 SER 39 1HB SER 39 3.973 -2.084 11.689 272 HB3 SER 39 2HB SER 39 4.603 -0.932 12.883 273 HG SER 39 HG SER 39 2.780 -3.066 13.226 274 H LEU 40 H LEU 40 3.818 1.902 12.098 275 HA LEU 40 HA LEU 40 4.505 1.754 9.253 276 HB2 LEU 40 1HB LEU 40 2.413 3.173 9.453 277 HB3 LEU 40 2HB LEU 40 3.317 4.219 10.534 278 HG LEU 40 HG LEU 40 5.033 4.088 8.330 279 HD11 LEU 40 1HD1 LEU 40 2.203 4.217 7.238 280 HD12 LEU 40 2HD1 LEU 40 3.333 2.855 7.052 281 HD13 LEU 40 3HD1 LEU 40 3.722 4.422 6.329 282 HD21 LEU 40 3HD2 LEU 40 2.855 6.123 8.716 283 HD22 LEU 40 1HD2 LEU 40 4.367 6.333 7.810 284 HD23 LEU 40 2HD2 LEU 40 4.417 6.125 9.567 285 H LYS 41 H LYS 41 6.527 2.468 8.920 286 HA LYS 41 HA LYS 41 7.764 4.383 10.763 287 HB2 LYS 41 1HB LYS 41 8.370 2.241 11.779 288 HB3 LYS 41 2HB LYS 41 9.088 1.680 10.260 289 HG2 LYS 41 1HG LYS 41 10.822 3.350 10.375 290 HG3 LYS 41 2HG LYS 41 10.007 4.216 11.693 291 HD2 LYS 41 1HD LYS 41 10.435 2.443 13.259 292 HD3 LYS 41 2HD LYS 41 10.992 1.341 11.970 293 HE2 LYS 41 1HE LYS 41 12.894 2.768 11.485 294 HE3 LYS 41 2HE LYS 41 12.327 4.003 12.627 295 HZ1 LYS 41 3HZ LYS 41 12.901 2.701 14.407 296 HZ2 LYS 41 1HZ LYS 41 14.119 2.408 13.331 297 HZ3 LYS 41 2HZ LYS 41 12.937 1.280 13.553 298 H GLY 42 H GLY 42 7.534 5.791 9.018 299 HA2 GLY 42 1HA GLY 42 8.191 6.937 7.157 300 HA3 GLY 42 2HA GLY 42 9.732 6.079 7.329 301 H SER 43 H SER 43 10.310 5.007 5.508 302 HA SER 43 HA SER 43 8.417 4.205 3.453 303 HB2 SER 43 1HB SER 43 10.446 3.284 2.382 304 HB3 SER 43 2HB SER 43 10.579 4.982 2.805 305 HG SER 43 HG SER 43 11.646 2.872 4.406 306 H LEU 44 H LEU 44 7.709 3.024 5.908 307 HA LEU 44 HA LEU 44 7.762 0.221 5.085 308 HB2 LEU 44 1HB LEU 44 9.709 0.418 6.676 309 HB3 LEU 44 2HB LEU 44 8.564 0.906 7.933 310 HG LEU 44 HG LEU 44 7.373 -1.308 7.615 311 HD11 LEU 44 1HD1 LEU 44 8.964 -3.086 6.469 312 HD12 LEU 44 2HD1 LEU 44 9.588 -1.678 5.571 313 HD13 LEU 44 3HD1 LEU 44 7.884 -2.117 5.499 314 HD21 LEU 44 3HD2 LEU 44 10.315 -1.451 8.328 315 HD22 LEU 44 1HD2 LEU 44 9.067 -2.644 8.777 316 HD23 LEU 44 2HD2 LEU 44 8.988 -0.992 9.422 317 H ALA 45 H ALA 45 5.781 -0.681 5.481 318 HA ALA 45 HA ALA 45 4.228 0.309 7.735 319 HB1 ALA 45 1HB ALA 45 3.256 1.281 5.486 320 HB2 ALA 45 2HB ALA 45 2.747 -0.393 5.197 321 HB3 ALA 45 3HB ALA 45 2.172 0.456 6.625 322 H TRP 46 H TRP 46 2.799 -1.384 8.426 323 HA TRP 46 HA TRP 46 3.144 -4.102 7.239 324 HB2 TRP 46 1HB TRP 46 3.017 -3.240 10.144 325 HB3 TRP 46 2HB TRP 46 2.456 -4.817 9.634 326 HD1 TRP 46 HD TRP 46 5.740 -2.906 10.103 327 HE1 TRP 46 1HE TRP 46 7.690 -4.587 9.953 328 HE3 TRP 46 3HE TRP 46 3.126 -6.999 8.486 329 HZ2 TRP 46 2HZ TRP 46 8.085 -7.226 8.842 330 HZ3 TRP 46 3HZ TRP 46 4.309 -9.074 7.893 331 HH2 TRP 46 HH TRP 46 6.783 -9.195 7.990 332 H LEU 47 H LEU 47 1.179 -5.085 6.696 333 HA LEU 47 HA LEU 47 -1.274 -3.723 7.596 334 HB2 LEU 47 1HB LEU 47 -1.101 -5.523 5.175 335 HB3 LEU 47 2HB LEU 47 -2.291 -4.315 5.603 336 HG LEU 47 HG LEU 47 -1.251 -3.638 3.708 337 HD11 LEU 47 1HD1 LEU 47 -0.402 -1.428 4.200 338 HD12 LEU 47 2HD1 LEU 47 -0.064 -1.902 5.878 339 HD13 LEU 47 3HD1 LEU 47 -1.742 -1.843 5.296 340 HD21 LEU 47 3HD2 LEU 47 0.797 -4.966 3.883 341 HD22 LEU 47 1HD2 LEU 47 1.524 -3.663 4.847 342 HD23 LEU 47 2HD2 LEU 47 0.980 -3.356 3.181 343 H GLU 48 H GLU 48 -3.170 -5.170 7.692 344 HA GLU 48 HA GLU 48 -2.755 -8.075 7.623 345 HB2 GLU 48 1HB GLU 48 -3.918 -8.537 9.606 346 HB3 GLU 48 2HB GLU 48 -2.561 -7.471 9.988 347 HG2 GLU 48 1HG GLU 48 -4.209 -5.523 9.991 348 HG3 GLU 48 2HG GLU 48 -5.476 -6.731 9.751 349 H LEU 49 H LEU 49 -4.110 -8.954 6.317 350 HA LEU 49 HA LEU 49 -6.090 -7.607 4.803 351 HB2 LEU 49 1HB LEU 49 -5.673 -10.493 5.607 352 HB3 LEU 49 2HB LEU 49 -7.091 -10.022 4.706 353 HG LEU 49 HG LEU 49 -4.229 -9.756 3.717 354 HD11 LEU 49 1HD1 LEU 49 -6.568 -11.485 2.814 355 HD12 LEU 49 2HD1 LEU 49 -5.309 -12.069 3.876 356 HD13 LEU 49 3HD1 LEU 49 -4.880 -11.573 2.230 357 HD21 LEU 49 3HD2 LEU 49 -5.558 -7.969 2.663 358 HD22 LEU 49 1HD2 LEU 49 -6.883 -9.111 2.330 359 HD23 LEU 49 2HD2 LEU 49 -5.337 -9.288 1.497 360 H PHE 50 H PHE 50 -8.310 -7.489 4.935 361 HA PHE 50 HA PHE 50 -9.384 -7.396 7.670 362 HB2 PHE 50 1HB PHE 50 -10.332 -6.488 4.972 363 HB3 PHE 50 2HB PHE 50 -11.546 -6.881 6.173 364 HD1 PHE 50 1HD PHE 50 -8.808 -4.537 5.375 365 HD2 PHE 50 2HD PHE 50 -11.951 -5.584 8.148 366 HE1 PHE 50 1HE PHE 50 -8.839 -2.294 6.170 367 HE2 PHE 50 2HE PHE 50 -11.932 -3.265 9.023 368 HZ PHE 50 HZ PHE 50 -10.397 -1.587 8.036 369 H GLY 51 H GLY 51 -10.648 -8.828 4.644 370 HA2 GLY 51 1HA GLY 51 -12.441 -10.558 6.183 371 HA3 GLY 51 2HA GLY 51 -12.476 -10.223 4.445 372 H ALA 52 H ALA 52 -12.793 -12.557 4.238 373 HA ALA 52 HA ALA 52 -10.450 -14.268 4.702 374 HB1 ALA 52 1HB ALA 52 -11.849 -16.029 3.852 375 HB2 ALA 52 2HB ALA 52 -12.769 -15.119 5.052 376 HB3 ALA 52 3HB ALA 52 -13.083 -14.864 3.323 377 H GLU 53 H GLU 53 -11.482 -12.003 2.422 378 HA GLU 53 HA GLU 53 -10.538 -12.898 -0.059 379 HB2 GLU 53 1HB GLU 53 -10.755 -10.168 1.239 380 HB3 GLU 53 2HB GLU 53 -10.207 -10.359 -0.440 381 HG2 GLU 53 1HG GLU 53 -12.230 -11.477 -1.062 382 HG3 GLU 53 2HG GLU 53 -12.807 -11.466 0.588 383 H GLN 54 H GLN 54 -8.734 -14.120 0.695 384 HA GLN 54 HA GLN 54 -6.200 -12.513 0.650 385 HB2 GLN 54 1HB GLN 54 -4.996 -14.378 1.569 386 HB3 GLN 54 2HB GLN 54 -6.405 -14.086 2.563 387 HG2 GLN 54 1HG GLN 54 -7.542 -16.033 1.483 388 HG3 GLN 54 2HG GLN 54 -6.122 -16.296 0.477 389 HE21 GLN 54 1HE2 GLN 54 -4.649 -17.832 1.268 390 HE22 GLN 54 2HE2 GLN 54 -4.565 -18.340 2.928 391 HA PRO 55 HA PRO 55 -5.549 -13.822 -3.541 392 HB2 PRO 55 1HB PRO 55 -2.765 -13.965 -3.660 393 HB3 PRO 55 2HB PRO 55 -3.695 -12.449 -3.631 394 HG2 PRO 55 1HG PRO 55 -2.304 -13.886 -1.382 395 HG3 PRO 55 2HG PRO 55 -2.337 -12.123 -1.762 396 HD2 PRO 55 1HD PRO 55 -3.891 -13.304 0.149 397 HD3 PRO 55 2HD PRO 55 -4.438 -11.865 -0.749 398 HA PRO 56 HA PRO 56 -4.827 -18.251 -3.597 399 HB2 PRO 56 1HB PRO 56 -3.034 -18.562 -5.782 400 HB3 PRO 56 2HB PRO 56 -4.805 -18.651 -5.834 401 HG2 PRO 56 1HG PRO 56 -3.070 -16.519 -6.818 402 HG3 PRO 56 2HG PRO 56 -4.805 -16.758 -7.100 403 HD2 PRO 56 1HD PRO 56 -3.551 -14.878 -5.378 404 HD3 PRO 56 2HD PRO 56 -5.293 -15.152 -5.581 405 HA PRO 57 HA PRO 57 -0.918 -18.710 -1.474 406 HB2 PRO 57 1HB PRO 57 -0.389 -21.395 -1.627 407 HB3 PRO 57 2HB PRO 57 -1.703 -20.694 -0.628 408 HG2 PRO 57 1HG PRO 57 -1.909 -21.874 -3.396 409 HG3 PRO 57 2HG PRO 57 -2.940 -22.223 -1.965 410 HD2 PRO 57 1HD PRO 57 -3.692 -20.454 -3.905 411 HD3 PRO 57 2HD PRO 57 -4.073 -20.162 -2.182 412 H ASN 58 H ASN 58 1.372 -19.427 -1.812 413 HA ASN 58 HA ASN 58 3.327 -19.444 -2.944 414 HB2 ASN 58 1HB ASN 58 1.709 -20.952 -5.017 415 HB3 ASN 58 2HB ASN 58 3.473 -20.778 -5.079 416 HD21 ASN 58 1HD2 ASN 58 2.421 -23.321 -5.091 417 HD22 ASN 58 2HD2 ASN 58 2.769 -24.085 -3.565 418 H THR 59 H THR 59 1.219 -17.268 -3.543 419 HA THR 59 HA THR 59 2.079 -16.435 -6.261 420 HB THR 59 HB THR 59 -0.475 -15.886 -4.739 421 HG1 THR 59 1HG THR 59 -0.325 -18.083 -5.489 422 HG21 THR 59 3HG2 THR 59 -1.386 -15.116 -6.812 423 HG22 THR 59 1HG2 THR 59 0.187 -15.350 -7.626 424 HG23 THR 59 2HG2 THR 59 -0.004 -14.167 -6.290 425 H LEU 60 H LEU 60 1.237 -15.160 -2.976 426 HA LEU 60 HA LEU 60 2.321 -12.540 -3.372 427 HB2 LEU 60 1HB LEU 60 1.414 -14.185 -1.049 428 HB3 LEU 60 2HB LEU 60 2.601 -12.954 -0.690 429 HG LEU 60 HG LEU 60 0.061 -12.361 -2.212 430 HD11 LEU 60 1HD1 LEU 60 -0.840 -11.417 -0.118 431 HD12 LEU 60 2HD1 LEU 60 0.567 -12.012 0.770 432 HD13 LEU 60 3HD1 LEU 60 -0.544 -13.158 0.021 433 HD21 LEU 60 3HD2 LEU 60 1.822 -10.635 -2.528 434 HD22 LEU 60 1HD2 LEU 60 2.011 -10.499 -0.771 435 HD23 LEU 60 2HD2 LEU 60 0.502 -10.010 -1.546 436 H SER 61 H SER 61 4.319 -11.695 -2.687 437 HA SER 61 HA SER 61 6.450 -13.580 -1.906 438 HB2 SER 61 1HB SER 61 7.951 -12.344 -3.607 439 HB3 SER 61 2HB SER 61 6.869 -13.606 -4.132 440 HG SER 61 HG SER 61 5.485 -12.128 -4.990 441 H GLU 62 H GLU 62 8.366 -12.461 -1.233 442 HA GLU 62 HA GLU 62 7.720 -10.137 0.411 443 HB2 GLU 62 1HB GLU 62 10.514 -11.138 -0.203 444 HB3 GLU 62 2HB GLU 62 9.971 -10.120 1.144 445 HG2 GLU 62 1HG GLU 62 8.638 -12.223 1.872 446 HG3 GLU 62 2HG GLU 62 9.730 -13.097 0.797 447 H GLY 63 H GLY 63 8.431 -10.305 -2.777 448 HA2 GLY 63 1HA GLY 63 9.680 -7.564 -2.907 449 HA3 GLY 63 2HA GLY 63 10.171 -8.880 -3.961 450 H ALA 64 H ALA 64 6.780 -8.873 -3.290 451 HA ALA 64 HA ALA 64 6.130 -8.592 -6.050 452 HB1 ALA 64 1HB ALA 64 4.831 -9.652 -3.884 453 HB2 ALA 64 2HB ALA 64 3.993 -8.096 -3.996 454 HB3 ALA 64 3HB ALA 64 4.005 -9.183 -5.372 455 H GLU 65 H GLU 65 5.312 -6.729 -7.170 456 HA GLU 65 HA GLU 65 6.469 -4.263 -6.029 457 HB2 GLU 65 1HB GLU 65 6.114 -3.348 -8.214 458 HB3 GLU 65 2HB GLU 65 7.160 -4.761 -8.249 459 HG2 GLU 65 1HG GLU 65 5.682 -6.037 -9.483 460 HG3 GLU 65 2HG GLU 65 4.255 -5.225 -8.855 461 H VAL 66 H VAL 66 4.627 -4.400 -4.453 462 HA VAL 66 HA VAL 66 2.022 -3.907 -5.509 463 HB VAL 66 HB VAL 66 1.085 -4.033 -3.384 464 HG11 VAL 66 1HG1 VAL 66 3.484 -5.911 -3.423 465 HG12 VAL 66 2HG1 VAL 66 1.914 -6.201 -2.674 466 HG13 VAL 66 3HG1 VAL 66 2.046 -6.106 -4.443 467 HG21 VAL 66 3HG2 VAL 66 2.467 -4.246 -1.337 468 HG22 VAL 66 1HG2 VAL 66 3.886 -3.653 -2.251 469 HG23 VAL 66 2HG2 VAL 66 2.437 -2.628 -2.037 470 H SER 67 H SER 67 0.773 -2.154 -5.706 471 HA SER 67 HA SER 67 1.960 0.507 -5.205 472 HB2 SER 67 1HB SER 67 -0.275 1.112 -6.493 473 HB3 SER 67 2HB SER 67 1.163 0.601 -7.364 474 HG SER 67 HG SER 67 0.195 -1.187 -7.971 475 H VAL 68 H VAL 68 0.416 2.096 -4.212 476 HA VAL 68 HA VAL 68 -1.532 0.933 -2.330 477 HB VAL 68 HB VAL 68 -0.402 2.653 -0.678 478 HG11 VAL 68 1HG1 VAL 68 -0.749 0.205 -0.337 479 HG12 VAL 68 2HG1 VAL 68 0.863 -0.067 -1.021 480 HG13 VAL 68 3HG1 VAL 68 0.667 0.906 0.460 481 HG21 VAL 68 3HG2 VAL 68 1.959 2.810 -0.716 482 HG22 VAL 68 1HG2 VAL 68 2.134 1.727 -2.107 483 HG23 VAL 68 2HG2 VAL 68 1.416 3.346 -2.302 484 H SER 69 H SER 69 -3.379 2.042 -2.520 485 HA SER 69 HA SER 69 -3.210 4.959 -3.080 486 HB2 SER 69 1HB SER 69 -4.967 4.869 -4.589 487 HB3 SER 69 2HB SER 69 -4.071 3.387 -4.975 488 HG SER 69 HG SER 69 -6.539 3.711 -3.726 489 H VAL 70 H VAL 70 -4.569 6.320 -1.761 490 HA VAL 70 HA VAL 70 -6.852 5.155 -0.473 491 HB VAL 70 HB VAL 70 -5.086 4.587 1.154 492 HG11 VAL 70 1HG1 VAL 70 -3.410 6.353 0.677 493 HG12 VAL 70 2HG1 VAL 70 -4.481 7.548 1.433 494 HG13 VAL 70 3HG1 VAL 70 -3.793 6.226 2.395 495 HG21 VAL 70 3HG2 VAL 70 -6.768 6.855 2.246 496 HG22 VAL 70 1HG2 VAL 70 -7.332 5.187 1.939 497 HG23 VAL 70 2HG2 VAL 70 -6.074 5.482 3.129 498 H TRP 71 H TRP 71 -8.260 6.875 0.339 499 HA TRP 71 HA TRP 71 -7.744 9.477 -0.981 500 HB2 TRP 71 1HB TRP 71 -10.223 8.193 0.194 501 HB3 TRP 71 2HB TRP 71 -10.120 9.896 -0.213 502 HD1 TRP 71 HD TRP 71 -10.208 6.462 -1.886 503 HE1 TRP 71 1HE TRP 71 -10.956 6.809 -4.390 504 HE3 TRP 71 3HE TRP 71 -9.622 11.489 -2.237 505 HZ2 TRP 71 2HZ TRP 71 -11.185 8.976 -6.226 506 HZ3 TRP 71 3HZ TRP 71 -10.008 12.695 -4.383 507 HH2 TRP 71 HH TRP 71 -10.778 11.449 -6.389 508 H THR 72 H THR 72 -6.469 10.808 0.340 509 HA THR 72 HA THR 72 -7.507 11.363 3.001 510 HB THR 72 HB THR 72 -5.856 9.485 3.289 511 HG1 THR 72 1HG THR 72 -4.651 10.784 4.936 512 HG21 THR 72 3HG2 THR 72 -3.585 9.742 2.865 513 HG22 THR 72 1HG2 THR 72 -3.685 11.515 2.674 514 HG23 THR 72 2HG2 THR 72 -4.308 10.429 1.420 515 H GLY 73 H GLY 73 -6.252 13.324 3.877 516 HA2 GLY 73 1HA GLY 73 -5.780 15.556 3.610 517 HA3 GLY 73 2HA GLY 73 -4.677 15.031 2.319 518 H GLY 74 H GLY 74 -8.177 14.488 2.108 519 HA2 GLY 74 1HA GLY 74 -9.835 15.479 0.905 520 HA3 GLY 74 2HA GLY 74 -8.785 16.843 0.536 521 H ALA 75 H ALA 75 -7.268 13.837 -0.304 522 HA ALA 75 HA ALA 75 -8.046 14.096 -3.125 523 HB1 ALA 75 1HB ALA 75 -5.238 14.446 -1.956 524 HB2 ALA 75 2HB ALA 75 -5.613 14.378 -3.686 525 HB3 ALA 75 3HB ALA 75 -6.222 15.728 -2.707 526 H LEU 76 H LEU 76 -6.492 12.561 -4.437 527 HA LEU 76 HA LEU 76 -6.618 9.878 -3.178 528 HB2 LEU 76 1HB LEU 76 -8.071 10.217 -5.126 529 HB3 LEU 76 2HB LEU 76 -6.692 10.756 -6.086 530 HG LEU 76 HG LEU 76 -5.702 8.526 -6.021 531 HD11 LEU 76 1HD1 LEU 76 -7.958 7.936 -4.080 532 HD12 LEU 76 2HD1 LEU 76 -6.211 7.716 -3.844 533 HD13 LEU 76 3HD1 LEU 76 -7.067 6.652 -4.965 534 HD21 LEU 76 3HD2 LEU 76 -7.444 7.290 -7.251 535 HD22 LEU 76 1HD2 LEU 76 -7.422 8.989 -7.737 536 HD23 LEU 76 2HD2 LEU 76 -8.686 8.392 -6.638 537 H CYS 77 H CYS 77 -4.589 9.680 -2.243 538 HA CYS 77 HA CYS 77 -2.182 10.391 -3.765 539 HB2 CYS 77 1HB CYS 77 -1.108 9.554 -1.684 540 HB3 CYS 77 2HB CYS 77 -2.260 10.883 -1.352 541 HG CYS 77 HG CYS 77 -2.113 9.037 0.518 542 H ARG 78 H ARG 78 -1.012 8.786 -4.851 543 HA ARG 78 HA ARG 78 -1.525 6.018 -4.085 544 HB2 ARG 78 1HB ARG 78 -3.106 6.235 -5.889 545 HB3 ARG 78 2HB ARG 78 -1.857 6.835 -6.995 546 HG2 ARG 78 1HG ARG 78 -1.448 4.191 -5.566 547 HG3 ARG 78 2HG ARG 78 -2.604 4.259 -6.831 548 HD2 ARG 78 1HD ARG 78 0.402 4.738 -7.040 549 HD3 ARG 78 2HD ARG 78 -0.514 3.404 -7.714 550 HE ARG 78 HE ARG 78 0.013 5.872 -8.976 551 HH11 ARG 78 1HH1 ARG 78 -2.585 3.467 -8.853 552 HH12 ARG 78 2HH1 ARG 78 -3.561 4.273 -10.045 553 HH21 ARG 78 1HH2 ARG 78 -1.001 6.665 -10.739 554 HH22 ARG 78 2HH2 ARG 78 -2.543 6.026 -11.300 555 H CYS 79 H CYS 79 0.396 5.147 -3.662 556 HA CYS 79 HA CYS 79 2.713 6.173 -5.231 557 HB2 CYS 79 1HB CYS 79 2.720 6.925 -2.948 558 HB3 CYS 79 2HB CYS 79 2.672 5.347 -2.282 559 HG CYS 79 HG CYS 79 5.076 4.586 -3.159 560 H ASP 80 H ASP 80 4.597 4.605 -4.976 561 HA ASP 80 HA ASP 80 3.786 1.918 -5.959 562 HB2 ASP 80 1HB ASP 80 5.994 3.892 -6.721 563 HB3 ASP 80 2HB ASP 80 6.145 2.172 -7.017 564 H GLY 81 H GLY 81 5.184 0.193 -5.175 565 HA2 GLY 81 1HA GLY 81 7.433 0.594 -3.464 566 HA3 GLY 81 2HA GLY 81 5.921 0.324 -2.549 567 H ARG 82 H ARG 82 7.136 -1.575 -1.878 568 HA ARG 82 HA ARG 82 6.557 -3.858 -3.583 569 HB2 ARG 82 1HB ARG 82 9.280 -3.739 -2.215 570 HB3 ARG 82 2HB ARG 82 8.616 -5.080 -3.154 571 HG2 ARG 82 1HG ARG 82 9.758 -4.206 -4.879 572 HG3 ARG 82 2HG ARG 82 8.394 -3.119 -4.991 573 HD2 ARG 82 1HD ARG 82 9.996 -1.564 -4.971 574 HD3 ARG 82 2HD ARG 82 9.803 -1.685 -3.213 575 HE ARG 82 HE ARG 82 11.653 -3.614 -3.697 576 HH11 ARG 82 1HH1 ARG 82 11.536 -0.187 -4.389 577 HH12 ARG 82 2HH1 ARG 82 13.095 -0.100 -5.139 578 HH21 ARG 82 1HH2 ARG 82 13.867 -3.509 -4.466 579 HH22 ARG 82 2HH2 ARG 82 14.539 -1.936 -4.850 580 H VAL 83 H VAL 83 6.851 -5.976 -2.125 581 HA VAL 83 HA VAL 83 5.400 -5.595 0.307 582 HB VAL 83 HB VAL 83 6.761 -7.973 -0.930 583 HG11 VAL 83 1HG1 VAL 83 6.602 -8.412 1.477 584 HG12 VAL 83 2HG1 VAL 83 4.894 -7.924 1.466 585 HG13 VAL 83 3HG1 VAL 83 5.439 -9.379 0.589 586 HG21 VAL 83 3HG2 VAL 83 3.837 -7.188 -0.804 587 HG22 VAL 83 1HG2 VAL 83 4.910 -7.148 -2.225 588 HG23 VAL 83 2HG2 VAL 83 4.475 -8.687 -1.511 589 H GLU 84 H GLU 84 8.831 -6.084 -0.257 590 HA GLU 84 HA GLU 84 10.675 -5.603 0.997 591 HB2 GLU 84 1HB GLU 84 9.138 -3.796 2.057 592 HB3 GLU 84 2HB GLU 84 8.999 -4.851 3.413 593 HG2 GLU 84 1HG GLU 84 11.742 -4.079 2.335 594 HG3 GLU 84 2HG GLU 84 10.796 -2.974 3.325 595 H THR 85 H THR 85 8.207 -6.969 3.204 596 HA THR 85 HA THR 85 9.705 -9.485 3.548 597 HB THR 85 HB THR 85 8.933 -7.611 5.839 598 HG1 THR 85 1HG THR 85 10.872 -7.003 5.155 599 HG21 THR 85 3HG2 THR 85 8.424 -9.839 6.548 600 HG22 THR 85 1HG2 THR 85 9.993 -9.437 7.264 601 HG23 THR 85 2HG2 THR 85 9.906 -10.482 5.827 602 H LEU 86 H LEU 86 8.164 -10.999 3.198 603 HA LEU 86 HA LEU 86 5.300 -10.346 3.689 604 HB2 LEU 86 1HB LEU 86 6.115 -11.524 1.531 605 HB3 LEU 86 2HB LEU 86 6.400 -12.929 2.569 606 HG LEU 86 HG LEU 86 3.822 -12.335 3.278 607 HD11 LEU 86 1HD1 LEU 86 3.818 -10.336 1.733 608 HD12 LEU 86 2HD1 LEU 86 2.553 -11.508 1.422 609 HD13 LEU 86 3HD1 LEU 86 3.995 -11.437 0.371 610 HD21 LEU 86 3HD2 LEU 86 3.048 -13.939 1.605 611 HD22 LEU 86 1HD2 LEU 86 4.527 -14.488 2.405 612 HD23 LEU 86 2HD2 LEU 86 4.600 -13.823 0.748 613 H ARG 87 H ARG 87 4.119 -11.831 5.151 614 HA ARG 87 HA ARG 87 5.868 -13.347 7.018 615 HB2 ARG 87 1HB ARG 87 5.362 -11.140 8.000 616 HB3 ARG 87 2HB ARG 87 3.635 -11.396 7.767 617 HG2 ARG 87 1HG ARG 87 3.839 -13.453 9.264 618 HG3 ARG 87 2HG ARG 87 5.516 -12.934 9.591 619 HD2 ARG 87 1HD ARG 87 4.622 -10.749 10.394 620 HD3 ARG 87 2HD ARG 87 2.972 -11.332 10.081 621 HE ARG 87 HE ARG 87 4.481 -13.134 11.743 622 HH11 ARG 87 1HH1 ARG 87 2.611 -10.107 11.855 623 HH12 ARG 87 2HH1 ARG 87 2.076 -10.304 13.481 624 HH21 ARG 87 1HH2 ARG 87 3.968 -13.330 13.932 625 HH22 ARG 87 2HH2 ARG 87 2.834 -12.232 14.675 626 H ASP 88 H ASP 88 2.451 -12.758 6.121 627 HA ASP 88 HA ASP 88 2.038 -15.677 5.993 628 HB2 ASP 88 1HB ASP 88 0.131 -13.579 7.119 629 HB3 ASP 88 2HB ASP 88 -0.414 -15.117 6.570 630 H ASP 89 H ASP 89 0.075 -15.988 4.568 631 HA ASP 89 HA ASP 89 0.094 -14.338 2.155 632 HB2 ASP 89 1HB ASP 89 -1.012 -16.887 2.964 633 HB3 ASP 89 2HB ASP 89 -2.304 -15.901 2.308 634 H ARG 90 H ARG 90 -1.148 -13.847 5.240 635 HA ARG 90 HA ARG 90 -3.177 -11.925 4.269 636 HB2 ARG 90 1HB ARG 90 -4.488 -12.283 6.280 637 HB3 ARG 90 2HB ARG 90 -4.350 -13.748 5.307 638 HG2 ARG 90 1HG ARG 90 -3.022 -14.820 6.834 639 HG3 ARG 90 2HG ARG 90 -2.347 -13.352 7.514 640 HD2 ARG 90 1HD ARG 90 -3.743 -14.239 9.201 641 HD3 ARG 90 2HD ARG 90 -4.535 -12.794 8.568 642 HE ARG 90 HE ARG 90 -5.566 -15.005 7.131 643 HH11 ARG 90 1HH1 ARG 90 -5.942 -13.469 10.281 644 HH12 ARG 90 2HH1 ARG 90 -7.204 -14.505 10.812 645 HH21 ARG 90 1HH2 ARG 90 -7.356 -16.200 7.694 646 HH22 ARG 90 2HH2 ARG 90 -7.906 -16.272 9.354 647 H GLN 91 H GLN 91 -0.127 -11.954 5.803 648 HA GLN 91 HA GLN 91 -0.596 -9.289 6.942 649 HB2 GLN 91 1HB GLN 91 0.907 -11.556 8.327 650 HB3 GLN 91 2HB GLN 91 0.852 -9.882 8.820 651 HG2 GLN 91 1HG GLN 91 -1.631 -10.125 9.209 652 HG3 GLN 91 2HG GLN 91 -1.456 -11.850 8.905 653 HE21 GLN 91 1HE2 GLN 91 0.402 -12.986 10.279 654 HE22 GLN 91 2HE2 GLN 91 0.491 -12.453 11.942 655 H PHE 92 H PHE 92 1.075 -8.017 6.196 656 HA PHE 92 HA PHE 92 3.724 -9.091 5.758 657 HB2 PHE 92 1HB PHE 92 3.751 -8.584 3.273 658 HB3 PHE 92 2HB PHE 92 2.966 -10.044 3.802 659 HD1 PHE 92 1HD PHE 92 2.283 -6.623 2.525 660 HD2 PHE 92 2HD PHE 92 0.696 -10.528 3.357 661 HE1 PHE 92 1HE PHE 92 0.189 -5.970 1.419 662 HE2 PHE 92 2HE PHE 92 -1.477 -9.864 2.332 663 HZ PHE 92 HZ PHE 92 -1.732 -7.590 1.335 664 H ALA 93 H ALA 93 5.208 -7.430 4.865 665 HA ALA 93 HA ALA 93 4.508 -4.783 5.897 666 HB1 ALA 93 1HB ALA 93 6.693 -5.798 6.502 667 HB2 ALA 93 2HB ALA 93 7.128 -5.873 4.789 668 HB3 ALA 93 3HB ALA 93 6.892 -4.304 5.583 669 H ILE 94 H ILE 94 5.483 -2.980 4.400 670 HA ILE 94 HA ILE 94 5.802 -3.694 1.647 671 HB ILE 94 HB ILE 94 4.646 -1.505 0.959 672 HG12 ILE 94 1HG1 ILE 94 2.974 -1.977 3.458 673 HG13 ILE 94 2HG1 ILE 94 4.198 -0.718 3.310 674 HG21 ILE 94 1HG2 ILE 94 2.824 -3.802 1.759 675 HG22 ILE 94 2HG2 ILE 94 2.570 -2.639 0.449 676 HG23 ILE 94 3HG2 ILE 94 3.913 -3.796 0.358 677 HD11 ILE 94 3HD1 ILE 94 1.640 -0.965 1.694 678 HD12 ILE 94 1HD1 ILE 94 2.078 0.285 2.863 679 HD13 ILE 94 2HD1 ILE 94 2.941 0.193 1.320 680 H ARG 95 H ARG 95 7.153 -2.079 0.575 681 HA ARG 95 HA ARG 95 8.495 -0.042 2.330 682 HB2 ARG 95 1HB ARG 95 9.741 -2.191 0.864 683 HB3 ARG 95 2HB ARG 95 10.061 -0.771 -0.074 684 HG2 ARG 95 1HG ARG 95 10.593 -0.891 2.901 685 HG3 ARG 95 2HG ARG 95 11.781 -1.355 1.664 686 HD2 ARG 95 1HD ARG 95 10.450 1.342 1.529 687 HD3 ARG 95 2HD ARG 95 11.732 1.071 2.710 688 HE ARG 95 HE ARG 95 12.008 1.330 -0.160 689 HH11 ARG 95 1HH1 ARG 95 13.606 -0.467 2.507 690 HH12 ARG 95 2HH1 ARG 95 15.176 0.070 2.025 691 HH21 ARG 95 1HH2 ARG 95 14.167 1.893 -0.774 692 HH22 ARG 95 2HH2 ARG 95 15.500 1.323 0.187 693 H LEU 96 H LEU 96 7.544 1.945 1.576 694 HA LEU 96 HA LEU 96 6.686 2.234 -1.209 695 HB2 LEU 96 1HB LEU 96 7.365 4.484 0.724 696 HB3 LEU 96 2HB LEU 96 6.474 4.583 -0.779 697 HG LEU 96 HG LEU 96 4.723 4.759 0.594 698 HD11 LEU 96 1HD1 LEU 96 3.478 2.735 0.960 699 HD12 LEU 96 2HD1 LEU 96 4.916 1.730 0.785 700 HD13 LEU 96 3HD1 LEU 96 4.308 2.631 -0.611 701 HD21 LEU 96 3HD2 LEU 96 4.659 3.611 2.916 702 HD22 LEU 96 1HD2 LEU 96 5.803 4.927 2.665 703 HD23 LEU 96 2HD2 LEU 96 6.401 3.324 2.627 704 H VAL 97 H VAL 97 7.884 3.358 -2.832 705 HA VAL 97 HA VAL 97 10.552 4.377 -2.112 706 HB VAL 97 HB VAL 97 11.443 3.435 -4.195 707 HG11 VAL 97 1HG1 VAL 97 12.124 1.405 -3.166 708 HG12 VAL 97 2HG1 VAL 97 11.772 2.494 -1.854 709 HG13 VAL 97 3HG1 VAL 97 10.596 1.234 -2.266 710 HG21 VAL 97 3HG2 VAL 97 9.275 2.848 -5.327 711 HG22 VAL 97 1HG2 VAL 97 10.501 1.575 -5.344 712 HG23 VAL 97 2HG2 VAL 97 9.142 1.475 -4.210 713 H GLY 98 H GLY 98 11.443 5.706 -4.064 714 HA2 GLY 98 1HA GLY 98 11.362 7.623 -5.126 715 HA3 GLY 98 2HA GLY 98 9.780 7.164 -5.783 716 H ARG 99 H ARG 99 8.113 8.112 -5.035 717 HA ARG 99 HA ARG 99 7.883 9.572 -2.514 718 HB2 ARG 99 1HB ARG 99 7.653 11.779 -3.491 719 HB3 ARG 99 2HB ARG 99 9.206 11.114 -3.931 720 HG2 ARG 99 1HG ARG 99 8.591 11.996 -5.962 721 HG3 ARG 99 2HG ARG 99 7.965 10.369 -6.157 722 HD2 ARG 99 1HD ARG 99 5.973 11.332 -6.652 723 HD3 ARG 99 2HD ARG 99 5.826 11.654 -4.942 724 HE ARG 99 HE ARG 99 6.057 13.883 -5.333 725 HH11 ARG 99 1HH1 ARG 99 7.153 12.193 -8.291 726 HH12 ARG 99 2HH1 ARG 99 7.293 13.688 -9.179 727 HH21 ARG 99 1HH2 ARG 99 6.327 15.805 -6.564 728 HH22 ARG 99 2HH2 ARG 99 6.753 15.661 -8.245 729 H VAL 100 H VAL 100 5.718 10.795 -2.497 730 HA VAL 100 HA VAL 100 3.655 9.469 -4.083 731 HB VAL 100 HB VAL 100 3.552 8.467 -2.010 732 HG11 VAL 100 1HG1 VAL 100 4.870 9.399 -0.659 733 HG12 VAL 100 2HG1 VAL 100 3.947 10.851 -0.495 734 HG13 VAL 100 3HG1 VAL 100 3.279 9.262 0.089 735 HG21 VAL 100 3HG2 VAL 100 1.565 8.637 -3.174 736 HG22 VAL 100 1HG2 VAL 100 1.338 8.552 -1.442 737 HG23 VAL 100 2HG2 VAL 100 1.127 10.087 -2.335 738 H ARG 101 H ARG 101 1.742 10.809 -4.411 739 HA ARG 101 HA ARG 101 1.949 13.721 -4.368 740 HB2 ARG 101 1HB ARG 101 3.461 13.066 -6.116 741 HB3 ARG 101 2HB ARG 101 2.487 11.724 -6.626 742 HG2 ARG 101 1HG ARG 101 1.375 14.505 -6.943 743 HG3 ARG 101 2HG ARG 101 2.683 13.949 -8.003 744 HD2 ARG 101 1HD ARG 101 1.278 11.935 -8.630 745 HD3 ARG 101 2HD ARG 101 -0.036 12.610 -7.719 746 HE ARG 101 HE ARG 101 -0.279 14.359 -9.244 747 HH11 ARG 101 1HH1 ARG 101 2.475 12.295 -10.179 748 HH12 ARG 101 2HH1 ARG 101 2.753 13.058 -11.675 749 HH21 ARG 101 1HH2 ARG 101 0.154 15.504 -11.060 750 HH22 ARG 101 2HH2 ARG 101 1.440 15.084 -12.161 751 H GLU 102 H GLU 102 -0.149 14.592 -5.118 752 HA GLU 102 HA GLU 102 -2.387 12.717 -4.778 753 HB2 GLU 102 1HB GLU 102 -2.462 15.686 -5.574 754 HB3 GLU 102 2HB GLU 102 -3.815 14.672 -5.129 755 HG2 GLU 102 1HG GLU 102 -3.467 15.896 -3.207 756 HG3 GLU 102 2HG GLU 102 -2.641 14.380 -2.832 757 H LEU 103 H LEU 103 -2.563 11.300 -6.573 758 HA LEU 103 HA LEU 103 -2.001 12.179 -9.248 759 HB2 LEU 103 1HB LEU 103 -3.356 9.810 -7.942 760 HB3 LEU 103 2HB LEU 103 -3.449 10.040 -9.676 761 HG LEU 103 HG LEU 103 -1.799 8.453 -9.135 762 HD11 LEU 103 1HD1 LEU 103 0.117 9.353 -10.412 763 HD12 LEU 103 2HD1 LEU 103 -0.466 10.995 -10.170 764 HD13 LEU 103 3HD1 LEU 103 -1.427 9.835 -11.125 765 HD21 LEU 103 3HD2 LEU 103 -0.232 10.497 -7.571 766 HD22 LEU 103 1HD2 LEU 103 0.265 8.849 -7.978 767 HD23 LEU 103 2HD2 LEU 103 -1.127 9.127 -6.922 768 H GLN 104 H GLN 104 -4.807 12.226 -7.214 769 HA GLN 104 HA GLN 104 -6.164 14.030 -9.065 770 HB2 GLN 104 1HB GLN 104 -7.449 11.447 -8.020 771 HB3 GLN 104 2HB GLN 104 -8.375 12.836 -8.539 772 HG2 GLN 104 1HG GLN 104 -7.421 12.632 -10.819 773 HG3 GLN 104 2HG GLN 104 -6.503 11.216 -10.299 774 HE21 GLN 104 1HE2 GLN 104 -9.997 12.237 -9.761 775 HE22 GLN 104 2HE2 GLN 104 -10.625 10.690 -10.254 776 H ARG 105 H ARG 105 -7.830 15.277 -7.883 777 HA ARG 105 HA ARG 105 -7.796 14.872 -4.954 778 HB2 ARG 105 1HB ARG 105 -8.000 17.586 -6.310 779 HB3 ARG 105 2HB ARG 105 -8.017 17.235 -4.578 780 HG2 ARG 105 1HG ARG 105 -5.693 16.039 -5.133 781 HG3 ARG 105 2HG ARG 105 -5.676 17.117 -6.506 782 HD2 ARG 105 1HD ARG 105 -6.051 17.988 -3.614 783 HD3 ARG 105 2HD ARG 105 -4.472 17.847 -4.384 784 HE ARG 105 HE ARG 105 -6.041 19.506 -6.021 785 HH11 ARG 105 1HH1 ARG 105 -4.596 19.518 -2.737 786 HH12 ARG 105 2HH1 ARG 105 -4.252 21.219 -2.778 787 HH21 ARG 105 1HH2 ARG 105 -5.626 21.802 -5.967 788 HH22 ARG 105 2HH2 ARG 105 -4.784 22.486 -4.595 789 H ARG 106 H ARG 106 -9.920 16.244 -4.126 790 HA ARG 106 HA ARG 106 -12.149 15.801 -5.965 791 HB2 ARG 106 1HB ARG 106 -11.771 14.348 -3.378 792 HB3 ARG 106 2HB ARG 106 -13.305 15.191 -3.498 793 HG2 ARG 106 1HG ARG 106 -13.749 14.100 -5.695 794 HG3 ARG 106 2HG ARG 106 -12.292 13.138 -5.492 795 HD2 ARG 106 1HD ARG 106 -14.718 13.192 -3.642 796 HD3 ARG 106 2HD ARG 106 -14.387 11.941 -4.831 797 HE ARG 106 HE ARG 106 -12.194 11.623 -3.485 798 HH11 ARG 106 1HH1 ARG 106 -15.463 11.982 -2.187 799 HH12 ARG 106 2HH1 ARG 106 -15.022 11.553 -0.553 800 HH21 ARG 106 1HH2 ARG 106 -11.723 10.699 -1.436 801 HH22 ARG 106 2HH2 ARG 106 -12.952 10.612 -0.208 802 H GLU 107 H GLU 107 -14.123 16.954 -4.872 803 HA GLU 107 HA GLU 107 -13.220 19.530 -3.664 804 HB2 GLU 107 1HB GLU 107 -15.245 20.461 -4.564 805 HB3 GLU 107 2HB GLU 107 -14.279 19.764 -5.849 806 HG2 GLU 107 1HG GLU 107 -15.920 18.307 -6.449 807 HG3 GLU 107 2HG GLU 107 -16.254 17.837 -4.785 808 H TYR 108 H TYR 108 -14.135 16.740 -2.399 809 HA TYR 108 HA TYR 108 -16.647 17.530 -1.091 810 HB2 TYR 108 1HB TYR 108 -15.123 14.954 -1.423 811 HB3 TYR 108 2HB TYR 108 -16.274 15.103 -0.109 812 HD1 TYR 108 2HD TYR 108 -15.990 15.167 -3.846 813 HD2 TYR 108 1HD TYR 108 -18.647 15.290 -0.440 814 HE1 TYR 108 2HE TYR 108 -17.927 14.832 -5.346 815 HE2 TYR 108 1HE TYR 108 -20.581 14.945 -1.943 816 HH TYR 108 HH TYR 108 -20.303 14.791 -5.496 817 H PHE 109 H PHE 109 -13.617 18.252 -0.464 818 HA PHE 109 HA PHE 109 -12.171 18.548 1.223 819 HB2 PHE 109 1HB PHE 109 -14.715 19.179 2.644 820 HB3 PHE 109 2HB PHE 109 -13.413 18.573 3.636 821 HD1 PHE 109 2HD PHE 109 -12.813 20.758 0.634 822 HD2 PHE 109 1HD PHE 109 -13.051 20.496 4.933 823 HE1 PHE 109 2HE PHE 109 -11.776 22.992 0.825 824 HE2 PHE 109 1HE PHE 109 -12.000 22.724 5.126 825 HZ PHE 109 HZ PHE 109 -11.356 23.987 3.079 Start of MODEL 17 1 H1 GLY 1 H GLY 1 16.343 11.631 8.847 2 HA2 GLY 1 1HA GLY 1 13.912 13.054 7.925 3 HA3 GLY 1 2HA GLY 1 14.193 12.721 9.650 4 H MET 2 H MET 2 14.648 15.025 7.264 5 HA MET 2 HA MET 2 15.807 16.870 8.966 6 HB2 MET 2 1HB MET 2 17.995 15.885 8.623 7 HB3 MET 2 2HB MET 2 17.761 15.729 6.890 8 HG2 MET 2 1HG MET 2 17.772 18.450 8.232 9 HG3 MET 2 2HG MET 2 19.269 17.593 7.858 10 HE1 MET 2 3HE MET 2 18.602 20.583 6.718 11 HE2 MET 2 1HE MET 2 20.146 19.718 6.482 12 HE3 MET 2 2HE MET 2 19.274 20.390 5.087 13 H SER 3 H SER 3 16.357 16.220 5.540 14 HA SER 3 HA SER 3 14.751 18.301 4.432 15 HB2 SER 3 1HB SER 3 15.348 16.645 2.399 16 HB3 SER 3 2HB SER 3 16.529 17.741 3.090 17 HG SER 3 HG SER 3 17.705 16.145 3.717 18 H ALA 4 H ALA 4 12.969 17.829 2.922 19 HA ALA 4 HA ALA 4 11.191 15.580 3.761 20 HB1 ALA 4 1HB ALA 4 9.344 17.244 3.495 21 HB2 ALA 4 2HB ALA 4 10.456 17.663 4.819 22 HB3 ALA 4 3HB ALA 4 10.546 18.522 3.268 23 H ASP 5 H ASP 5 11.426 14.299 2.041 24 HA ASP 5 HA ASP 5 10.363 15.194 -0.492 25 HB2 ASP 5 1HB ASP 5 12.774 15.658 -0.913 26 HB3 ASP 5 2HB ASP 5 13.166 13.993 -0.488 27 H GLY 6 H GLY 6 12.120 12.597 1.210 28 HA2 GLY 6 1HA GLY 6 10.236 10.550 0.137 29 HA3 GLY 6 2HA GLY 6 11.919 10.272 0.602 30 H SER 7 H SER 7 9.514 12.167 2.526 31 HA SER 7 HA SER 7 9.425 9.970 4.524 32 HB2 SER 7 1HB SER 7 11.292 11.681 4.882 33 HB3 SER 7 2HB SER 7 10.015 12.891 5.144 34 HG SER 7 HG SER 7 9.178 11.253 6.686 35 H GLU 8 H GLU 8 7.617 12.103 2.682 36 HA GLU 8 HA GLU 8 5.545 12.838 4.648 37 HB2 GLU 8 1HB GLU 8 5.919 13.302 1.662 38 HB3 GLU 8 2HB GLU 8 4.633 13.962 2.661 39 HG2 GLU 8 1HG GLU 8 6.049 15.732 2.809 40 HG3 GLU 8 2HG GLU 8 6.661 14.826 4.179 41 H TYR 9 H TYR 9 6.129 9.954 3.178 42 HA TYR 9 HA TYR 9 3.583 9.205 2.165 43 HB2 TYR 9 1HB TYR 9 5.239 7.248 3.732 44 HB3 TYR 9 2HB TYR 9 4.353 7.013 2.228 45 HD1 TYR 9 1HD TYR 9 5.599 9.358 0.616 46 HD2 TYR 9 2HD TYR 9 7.341 6.402 3.229 47 HE1 TYR 9 1HE TYR 9 7.760 9.506 -0.602 48 HE2 TYR 9 2HE TYR 9 9.479 6.581 2.035 49 HH TYR 9 HH TYR 9 10.540 7.329 0.073 50 H GLY 10 H GLY 10 4.866 9.246 5.509 51 HA2 GLY 10 1HA GLY 10 2.652 7.974 6.745 52 HA3 GLY 10 2HA GLY 10 3.921 8.934 7.524 53 H ARG 11 H ARG 11 2.951 11.271 5.483 54 HA ARG 11 HA ARG 11 0.961 12.396 7.250 55 HB2 ARG 11 1HB ARG 11 2.001 13.110 4.455 56 HB3 ARG 11 2HB ARG 11 0.625 13.864 5.079 57 HG2 ARG 11 1HG ARG 11 1.834 15.351 6.035 58 HG3 ARG 11 2HG ARG 11 2.339 14.159 7.228 59 HD2 ARG 11 1HD ARG 11 4.377 13.748 6.116 60 HD3 ARG 11 2HD ARG 11 3.773 14.457 4.599 61 HE ARG 11 HE ARG 11 4.019 16.590 5.378 62 HH11 ARG 11 1HH1 ARG 11 4.698 14.394 8.091 63 HH12 ARG 11 2HH1 ARG 11 4.847 15.708 9.199 64 HH21 ARG 11 1HH2 ARG 11 4.387 18.214 6.746 65 HH22 ARG 11 2HH2 ARG 11 5.087 17.981 8.320 66 H TYR 12 H TYR 12 0.976 10.535 4.227 67 HA TYR 12 HA TYR 12 -1.918 10.880 3.915 68 HB2 TYR 12 1HB TYR 12 -0.164 8.991 2.365 69 HB3 TYR 12 2HB TYR 12 -1.698 9.705 1.877 70 HD1 TYR 12 1HD TYR 12 -0.658 12.708 2.851 71 HD2 TYR 12 2HD TYR 12 0.784 9.533 0.348 72 HE1 TYR 12 1HE TYR 12 0.755 14.314 1.612 73 HE2 TYR 12 2HE TYR 12 2.110 11.057 -0.936 74 HH TYR 12 HH TYR 12 3.077 14.015 -0.215 75 H PHE 13 H PHE 13 0.352 8.177 4.651 76 HA PHE 13 HA PHE 13 -1.932 6.349 5.092 77 HB2 PHE 13 1HB PHE 13 1.026 5.840 5.120 78 HB3 PHE 13 2HB PHE 13 -0.229 4.621 5.152 79 HD1 PHE 13 2HD PHE 13 -1.801 4.377 3.194 80 HD2 PHE 13 1HD PHE 13 1.933 6.499 2.896 81 HE1 PHE 13 2HE PHE 13 -1.774 3.986 0.745 82 HE2 PHE 13 1HE PHE 13 1.920 6.168 0.418 83 HZ PHE 13 HZ PHE 13 0.095 4.887 -0.634 84 H GLU 14 H GLU 14 -2.730 6.473 6.987 85 HA GLU 14 HA GLU 14 -1.333 7.219 9.456 86 HB2 GLU 14 1HB GLU 14 -3.551 8.161 8.824 87 HB3 GLU 14 2HB GLU 14 -4.257 6.552 8.877 88 HG2 GLU 14 1HG GLU 14 -4.110 6.412 11.242 89 HG3 GLU 14 2HG GLU 14 -2.927 7.728 11.335 90 H GLN 15 H GLN 15 -1.644 5.869 11.350 91 HA GLN 15 HA GLN 15 -0.737 3.301 10.812 92 HB2 GLN 15 1HB GLN 15 -0.063 4.493 12.798 93 HB3 GLN 15 2HB GLN 15 -1.745 4.544 13.388 94 HG2 GLN 15 1HG GLN 15 -1.764 2.338 14.086 95 HG3 GLN 15 2HG GLN 15 -0.433 1.845 13.051 96 HE21 GLN 15 1HE2 GLN 15 -0.874 1.553 16.069 97 HE22 GLN 15 2HE2 GLN 15 0.573 2.203 16.749 98 H LEU 16 H LEU 16 -3.987 4.133 11.157 99 HA LEU 16 HA LEU 16 -4.755 1.263 11.063 100 HB2 LEU 16 1HB LEU 16 -6.455 3.359 12.449 101 HB3 LEU 16 2HB LEU 16 -6.607 1.621 12.566 102 HG LEU 16 HG LEU 16 -4.337 3.266 13.782 103 HD11 LEU 16 1HD1 LEU 16 -5.447 2.895 15.909 104 HD12 LEU 16 2HD1 LEU 16 -6.789 2.062 15.110 105 HD13 LEU 16 3HD1 LEU 16 -6.494 3.794 14.810 106 HD21 LEU 16 3HD2 LEU 16 -5.129 0.369 14.265 107 HD22 LEU 16 1HD2 LEU 16 -3.805 1.251 15.049 108 HD23 LEU 16 2HD2 LEU 16 -3.731 0.892 13.316 109 H GLN 17 H GLN 17 -4.388 3.605 9.126 110 HA GLN 17 HA GLN 17 -7.050 3.901 7.891 111 HB2 GLN 17 1HB GLN 17 -4.315 4.891 7.356 112 HB3 GLN 17 2HB GLN 17 -5.094 4.303 5.904 113 HG2 GLN 17 1HG GLN 17 -7.004 5.834 6.287 114 HG3 GLN 17 2HG GLN 17 -6.348 6.307 7.864 115 HE21 GLN 17 1HE2 GLN 17 -4.873 5.966 4.535 116 HE22 GLN 17 2HE2 GLN 17 -4.131 7.579 4.651 117 H LYS 18 H LYS 18 -7.206 3.058 5.569 118 HA LYS 18 HA LYS 18 -6.140 0.278 5.405 119 HB2 LYS 18 1HB LYS 18 -8.694 1.550 4.343 120 HB3 LYS 18 2HB LYS 18 -7.990 0.093 3.626 121 HG2 LYS 18 1HG LYS 18 -9.457 -0.863 5.063 122 HG3 LYS 18 2HG LYS 18 -7.968 -0.901 5.965 123 HD2 LYS 18 1HD LYS 18 -9.384 -0.149 7.638 124 HD3 LYS 18 2HD LYS 18 -8.911 1.405 6.991 125 HE2 LYS 18 1HE LYS 18 -11.043 0.521 5.327 126 HE3 LYS 18 2HE LYS 18 -11.511 0.040 6.961 127 HZ1 LYS 18 3HZ LYS 18 -12.285 2.232 6.435 128 HZ2 LYS 18 1HZ LYS 18 -10.725 2.777 6.154 129 HZ3 LYS 18 2HZ LYS 18 -11.215 2.308 7.661 130 H VAL 19 H VAL 19 -5.485 -0.401 3.300 131 HA VAL 19 HA VAL 19 -5.039 1.753 1.324 132 HB VAL 19 HB VAL 19 -2.863 0.860 0.733 133 HG11 VAL 19 1HG1 VAL 19 -2.926 1.427 3.704 134 HG12 VAL 19 2HG1 VAL 19 -1.608 1.786 2.571 135 HG13 VAL 19 3HG1 VAL 19 -3.148 2.682 2.487 136 HG21 VAL 19 3HG2 VAL 19 -3.110 -1.496 1.503 137 HG22 VAL 19 1HG2 VAL 19 -1.659 -0.739 2.171 138 HG23 VAL 19 2HG2 VAL 19 -3.099 -0.954 3.192 139 H ASN 20 H ASN 20 -4.824 0.800 -0.902 140 HA ASN 20 HA ASN 20 -6.558 -1.474 -1.258 141 HB2 ASN 20 1HB ASN 20 -6.102 0.750 -2.761 142 HB3 ASN 20 2HB ASN 20 -4.785 -0.232 -3.389 143 HD21 ASN 20 1HD2 ASN 20 -7.623 -2.174 -2.459 144 HD22 ASN 20 2HD2 ASN 20 -7.976 -2.509 -4.112 145 H LEU 21 H LEU 21 -5.668 -3.464 -2.571 146 HA LEU 21 HA LEU 21 -2.850 -4.047 -1.739 147 HB2 LEU 21 1HB LEU 21 -5.254 -5.898 -1.702 148 HB3 LEU 21 2HB LEU 21 -3.590 -6.418 -1.547 149 HG LEU 21 HG LEU 21 -5.048 -4.688 0.462 150 HD11 LEU 21 1HD1 LEU 21 -4.327 -7.629 0.193 151 HD12 LEU 21 2HD1 LEU 21 -5.885 -6.906 0.584 152 HD13 LEU 21 3HD1 LEU 21 -4.592 -6.916 1.779 153 HD21 LEU 21 3HD2 LEU 21 -2.178 -5.723 0.283 154 HD22 LEU 21 1HD2 LEU 21 -2.914 -5.242 1.819 155 HD23 LEU 21 2HD2 LEU 21 -2.728 -4.052 0.533 156 H THR 22 H THR 22 -3.252 -2.866 -4.179 157 HA THR 22 HA THR 22 -3.943 -4.710 -6.212 158 HB THR 22 HB THR 22 -2.292 -2.179 -6.436 159 HG1 THR 22 1HG THR 22 -5.122 -2.453 -6.049 160 HG21 THR 22 3HG2 THR 22 -3.518 -1.940 -8.526 161 HG22 THR 22 1HG2 THR 22 -4.491 -3.352 -8.143 162 HG23 THR 22 2HG2 THR 22 -2.753 -3.566 -8.487 163 H VAL 23 H VAL 23 -2.655 -6.596 -6.165 164 HA VAL 23 HA VAL 23 0.332 -6.266 -6.139 165 HB VAL 23 HB VAL 23 -1.240 -8.867 -5.960 166 HG11 VAL 23 1HG1 VAL 23 0.838 -9.878 -5.233 167 HG12 VAL 23 2HG1 VAL 23 1.163 -9.069 -6.759 168 HG13 VAL 23 3HG1 VAL 23 1.674 -8.320 -5.244 169 HG21 VAL 23 3HG2 VAL 23 -0.234 -8.709 -3.516 170 HG22 VAL 23 1HG2 VAL 23 -0.271 -6.965 -3.838 171 HG23 VAL 23 2HG2 VAL 23 -1.770 -7.893 -3.926 172 H ARG 24 H ARG 24 1.552 -6.479 -7.923 173 HA ARG 24 HA ARG 24 0.448 -7.042 -10.528 174 HB2 ARG 24 1HB ARG 24 2.282 -5.495 -10.058 175 HB3 ARG 24 2HB ARG 24 3.264 -6.790 -9.348 176 HG2 ARG 24 1HG ARG 24 3.411 -7.856 -11.527 177 HG3 ARG 24 2HG ARG 24 2.394 -6.575 -12.238 178 HD2 ARG 24 1HD ARG 24 4.093 -4.873 -11.451 179 HD3 ARG 24 2HD ARG 24 5.098 -6.224 -10.903 180 HE ARG 24 HE ARG 24 5.790 -6.631 -12.964 181 HH11 ARG 24 1HH1 ARG 24 2.871 -4.567 -13.344 182 HH12 ARG 24 2HH1 ARG 24 2.978 -4.565 -15.057 183 HH21 ARG 24 1HH2 ARG 24 5.892 -6.580 -15.184 184 HH22 ARG 24 2HH2 ARG 24 4.670 -5.787 -16.142 185 H LEU 25 H LEU 25 0.058 -9.129 -11.222 186 HA LEU 25 HA LEU 25 1.673 -11.347 -10.088 187 HB2 LEU 25 1HB LEU 25 -1.018 -11.361 -11.292 188 HB3 LEU 25 2HB LEU 25 -0.033 -12.779 -11.126 189 HG LEU 25 HG LEU 25 -1.601 -12.467 -9.412 190 HD11 LEU 25 1HD1 LEU 25 0.285 -13.879 -8.786 191 HD12 LEU 25 2HD1 LEU 25 -0.111 -12.895 -7.386 192 HD13 LEU 25 3HD1 LEU 25 1.257 -12.477 -8.334 193 HD21 LEU 25 3HD2 LEU 25 -0.158 -10.284 -8.063 194 HD22 LEU 25 1HD2 LEU 25 -1.608 -11.192 -7.512 195 HD23 LEU 25 2HD2 LEU 25 -1.679 -10.176 -8.976 196 H GLY 26 H GLY 26 3.296 -10.106 -11.534 197 HA2 GLY 26 1HA GLY 26 4.845 -11.206 -13.029 198 HA3 GLY 26 2HA GLY 26 3.469 -11.876 -13.931 199 H ASP 27 H ASP 27 2.413 -10.619 -15.448 200 HA ASP 27 HA ASP 27 2.834 -7.757 -15.692 201 HB2 ASP 27 1HB ASP 27 4.745 -8.776 -17.045 202 HB3 ASP 27 2HB ASP 27 3.496 -9.461 -18.098 203 H THR 28 H THR 28 0.806 -10.323 -15.707 204 HA THR 28 HA THR 28 -1.002 -9.298 -17.829 205 HB THR 28 HB THR 28 0.690 -11.022 -18.619 206 HG1 THR 28 1HG THR 28 -0.757 -12.033 -19.900 207 HG21 THR 28 3HG2 THR 28 0.617 -12.533 -16.660 208 HG22 THR 28 1HG2 THR 28 0.210 -13.382 -18.158 209 HG23 THR 28 2HG2 THR 28 -1.081 -12.952 -17.036 210 H GLY 29 H GLY 29 -0.808 -9.926 -14.616 211 HA2 GLY 29 1HA GLY 29 -3.675 -10.326 -14.353 212 HA3 GLY 29 2HA GLY 29 -2.648 -11.556 -13.570 213 H SER 30 H SER 30 -4.388 -9.608 -12.157 214 HA SER 30 HA SER 30 -2.291 -8.960 -10.349 215 HB2 SER 30 1HB SER 30 -3.622 -6.425 -10.488 216 HB3 SER 30 2HB SER 30 -1.940 -6.787 -10.829 217 HG SER 30 HG SER 30 -4.106 -6.664 -12.654 218 H PHE 31 H PHE 31 -3.011 -8.921 -8.270 219 HA PHE 31 HA PHE 31 -5.843 -9.677 -7.812 220 HB2 PHE 31 1HB PHE 31 -4.280 -11.261 -6.891 221 HB3 PHE 31 2HB PHE 31 -3.272 -10.052 -6.170 222 HD1 PHE 31 2HD PHE 31 -6.604 -11.734 -5.971 223 HD2 PHE 31 1HD PHE 31 -3.892 -8.981 -4.053 224 HE1 PHE 31 2HE PHE 31 -8.064 -11.681 -3.971 225 HE2 PHE 31 1HE PHE 31 -5.360 -8.941 -2.044 226 HZ PHE 31 HZ PHE 31 -7.456 -10.276 -2.016 227 H ASP 32 H ASP 32 -6.974 -8.502 -5.956 228 HA ASP 32 HA ASP 32 -5.741 -6.058 -5.033 229 HB2 ASP 32 1HB ASP 32 -6.675 -5.473 -7.250 230 HB3 ASP 32 2HB ASP 32 -8.287 -5.905 -6.677 231 H GLY 33 H GLY 33 -6.735 -5.338 -3.128 232 HA2 GLY 33 1HA GLY 33 -9.219 -6.425 -2.128 233 HA3 GLY 33 2HA GLY 33 -7.790 -7.240 -1.457 234 H THR 34 H THR 34 -8.776 -6.321 0.584 235 HA THR 34 HA THR 34 -8.012 -3.490 1.073 236 HB THR 34 HB THR 34 -9.909 -4.820 2.947 237 HG1 THR 34 1HG THR 34 -10.932 -4.007 0.421 238 HG21 THR 34 3HG2 THR 34 -9.918 -2.152 1.529 239 HG22 THR 34 1HG2 THR 34 -9.273 -2.466 3.141 240 HG23 THR 34 2HG2 THR 34 -11.018 -2.634 2.832 241 H ALA 35 H ALA 35 -6.490 -3.190 2.690 242 HA ALA 35 HA ALA 35 -6.523 -5.141 4.905 243 HB1 ALA 35 1HB ALA 35 -3.930 -4.185 3.580 244 HB2 ALA 35 2HB ALA 35 -4.083 -5.123 5.076 245 HB3 ALA 35 3HB ALA 35 -4.576 -5.847 3.570 246 H ALA 36 H ALA 36 -6.380 -4.120 6.798 247 HA ALA 36 HA ALA 36 -6.140 -1.204 7.018 248 HB1 ALA 36 1HB ALA 36 -6.274 -3.403 9.129 249 HB2 ALA 36 2HB ALA 36 -6.526 -1.661 9.381 250 HB3 ALA 36 3HB ALA 36 -7.689 -2.621 8.438 251 H ILE 37 H ILE 37 -4.496 -0.186 7.966 252 HA ILE 37 HA ILE 37 -1.818 -1.320 7.819 253 HB ILE 37 HB ILE 37 -2.946 1.391 8.648 254 HG12 ILE 37 1HG1 ILE 37 -1.422 0.687 6.085 255 HG13 ILE 37 2HG1 ILE 37 -3.156 0.625 6.164 256 HG21 ILE 37 1HG2 ILE 37 -0.715 1.041 9.693 257 HG22 ILE 37 2HG2 ILE 37 -0.016 0.746 8.095 258 HG23 ILE 37 3HG2 ILE 37 -0.722 2.331 8.525 259 HD11 ILE 37 3HD1 ILE 37 -3.224 3.004 6.853 260 HD12 ILE 37 1HD1 ILE 37 -1.474 3.118 6.578 261 HD13 ILE 37 2HD1 ILE 37 -2.565 2.794 5.243 262 H THR 38 H THR 38 -0.479 -1.147 9.667 263 HA THR 38 HA THR 38 -1.648 -1.516 12.335 264 HB THR 38 HB THR 38 -0.419 -3.666 12.670 265 HG1 THR 38 1HG THR 38 0.031 -3.389 9.887 266 HG21 THR 38 3HG2 THR 38 -2.826 -3.767 12.096 267 HG22 THR 38 1HG2 THR 38 -1.922 -5.157 11.456 268 HG23 THR 38 2HG2 THR 38 -2.420 -3.857 10.371 269 H SER 39 H SER 39 1.339 -1.099 10.327 270 HA SER 39 HA SER 39 2.505 0.481 12.524 271 HB2 SER 39 1HB SER 39 3.380 -2.263 11.716 272 HB3 SER 39 2HB SER 39 4.647 -1.064 11.952 273 HG SER 39 HG SER 39 2.582 -1.478 13.880 274 H LEU 40 H LEU 40 3.793 2.089 11.687 275 HA LEU 40 HA LEU 40 4.584 2.026 8.822 276 HB2 LEU 40 1HB LEU 40 2.528 3.237 9.031 277 HB3 LEU 40 2HB LEU 40 3.150 4.199 10.339 278 HG LEU 40 HG LEU 40 2.940 5.205 8.057 279 HD11 LEU 40 1HD1 LEU 40 4.130 6.323 9.887 280 HD12 LEU 40 2HD1 LEU 40 4.690 6.772 8.275 281 HD13 LEU 40 3HD1 LEU 40 5.652 5.674 9.275 282 HD21 LEU 40 3HD2 LEU 40 4.375 5.022 6.314 283 HD22 LEU 40 1HD2 LEU 40 4.031 3.352 6.778 284 HD23 LEU 40 2HD2 LEU 40 5.584 4.120 7.222 285 H LYS 41 H LYS 41 6.392 3.012 8.408 286 HA LYS 41 HA LYS 41 7.829 4.726 10.253 287 HB2 LYS 41 1HB LYS 41 8.339 2.473 11.246 288 HB3 LYS 41 2HB LYS 41 9.087 1.995 9.733 289 HG2 LYS 41 1HG LYS 41 10.300 4.486 10.419 290 HG3 LYS 41 2HG LYS 41 10.127 3.643 11.956 291 HD2 LYS 41 1HD LYS 41 11.410 2.492 9.445 292 HD3 LYS 41 2HD LYS 41 12.313 3.236 10.767 293 HE2 LYS 41 1HE LYS 41 10.433 1.117 11.689 294 HE3 LYS 41 2HE LYS 41 11.621 0.534 10.504 295 HZ1 LYS 41 3HZ LYS 41 12.276 1.906 13.037 296 HZ2 LYS 41 1HZ LYS 41 13.366 1.487 11.902 297 HZ3 LYS 41 2HZ LYS 41 12.523 0.316 12.682 298 H GLY 42 H GLY 42 7.864 6.143 8.427 299 HA2 GLY 42 1HA GLY 42 8.806 7.081 6.538 300 HA3 GLY 42 2HA GLY 42 10.086 5.866 6.696 301 H SER 43 H SER 43 10.304 5.163 4.639 302 HA SER 43 HA SER 43 8.182 4.329 2.861 303 HB2 SER 43 1HB SER 43 10.345 3.259 1.783 304 HB3 SER 43 2HB SER 43 10.042 4.872 1.643 305 HG SER 43 HG SER 43 11.837 5.269 2.605 306 H LEU 44 H LEU 44 7.884 3.102 5.509 307 HA LEU 44 HA LEU 44 7.676 0.367 4.472 308 HB2 LEU 44 1HB LEU 44 9.756 0.612 6.033 309 HB3 LEU 44 2HB LEU 44 8.607 0.801 7.329 310 HG LEU 44 HG LEU 44 7.510 -1.416 6.369 311 HD11 LEU 44 1HD1 LEU 44 8.876 -1.510 4.284 312 HD12 LEU 44 2HD1 LEU 44 9.117 -2.937 5.288 313 HD13 LEU 44 3HD1 LEU 44 10.346 -1.666 5.265 314 HD21 LEU 44 3HD2 LEU 44 8.479 -1.396 8.537 315 HD22 LEU 44 1HD2 LEU 44 10.118 -1.289 7.898 316 HD23 LEU 44 2HD2 LEU 44 9.172 -2.791 7.699 317 H ALA 45 H ALA 45 5.549 -0.155 4.653 318 HA ALA 45 HA ALA 45 4.139 0.649 7.158 319 HB1 ALA 45 1HB ALA 45 3.047 1.745 5.192 320 HB2 ALA 45 2HB ALA 45 2.772 0.129 4.506 321 HB3 ALA 45 3HB ALA 45 2.016 0.569 6.033 322 H TRP 46 H TRP 46 2.899 -1.073 8.043 323 HA TRP 46 HA TRP 46 3.123 -3.788 6.830 324 HB2 TRP 46 1HB TRP 46 3.501 -2.831 9.662 325 HB3 TRP 46 2HB TRP 46 2.799 -4.412 9.378 326 HD1 TRP 46 HD TRP 46 6.087 -2.522 8.686 327 HE1 TRP 46 1HE TRP 46 7.978 -4.258 8.402 328 HE3 TRP 46 3HE TRP 46 3.299 -6.807 8.770 329 HZ2 TRP 46 2HZ TRP 46 8.254 -7.134 8.397 330 HZ3 TRP 46 3HZ TRP 46 4.380 -9.006 8.509 331 HH2 TRP 46 HH TRP 46 6.859 -9.192 8.360 332 H LEU 47 H LEU 47 1.225 -4.842 6.581 333 HA LEU 47 HA LEU 47 -1.256 -3.540 7.526 334 HB2 LEU 47 1HB LEU 47 -0.978 -5.325 5.106 335 HB3 LEU 47 2HB LEU 47 -2.263 -4.210 5.547 336 HG LEU 47 HG LEU 47 -1.289 -3.367 3.684 337 HD11 LEU 47 1HD1 LEU 47 -1.865 -1.682 5.363 338 HD12 LEU 47 2HD1 LEU 47 -0.540 -1.134 4.314 339 HD13 LEU 47 3HD1 LEU 47 -0.194 -1.683 5.958 340 HD21 LEU 47 3HD2 LEU 47 0.873 -4.584 3.811 341 HD22 LEU 47 1HD2 LEU 47 1.501 -3.254 4.808 342 HD23 LEU 47 2HD2 LEU 47 0.925 -2.946 3.158 343 H GLU 48 H GLU 48 -3.146 -5.161 7.350 344 HA GLU 48 HA GLU 48 -2.622 -8.033 7.618 345 HB2 GLU 48 1HB GLU 48 -2.588 -7.256 9.954 346 HB3 GLU 48 2HB GLU 48 -4.052 -6.303 9.697 347 HG2 GLU 48 1HG GLU 48 -5.365 -8.348 9.376 348 HG3 GLU 48 2HG GLU 48 -3.892 -9.341 9.458 349 H LEU 49 H LEU 49 -4.056 -8.988 6.299 350 HA LEU 49 HA LEU 49 -6.038 -7.729 4.742 351 HB2 LEU 49 1HB LEU 49 -5.409 -10.550 5.591 352 HB3 LEU 49 2HB LEU 49 -7.024 -10.259 5.015 353 HG LEU 49 HG LEU 49 -4.537 -9.796 3.376 354 HD11 LEU 49 1HD1 LEU 49 -6.796 -11.856 3.127 355 HD12 LEU 49 2HD1 LEU 49 -5.179 -12.214 3.745 356 HD13 LEU 49 3HD1 LEU 49 -5.371 -11.717 2.069 357 HD21 LEU 49 3HD2 LEU 49 -6.217 -9.528 1.505 358 HD22 LEU 49 1HD2 LEU 49 -6.325 -8.227 2.683 359 HD23 LEU 49 2HD2 LEU 49 -7.511 -9.536 2.721 360 H PHE 50 H PHE 50 -8.362 -7.893 4.724 361 HA PHE 50 HA PHE 50 -9.473 -7.581 7.418 362 HB2 PHE 50 1HB PHE 50 -9.758 -6.269 4.865 363 HB3 PHE 50 2HB PHE 50 -11.335 -6.833 5.351 364 HD1 PHE 50 1HD PHE 50 -11.414 -6.508 8.264 365 HD2 PHE 50 2HD PHE 50 -9.387 -4.069 5.355 366 HE1 PHE 50 1HE PHE 50 -11.558 -4.570 9.797 367 HE2 PHE 50 2HE PHE 50 -9.454 -2.230 6.880 368 HZ PHE 50 HZ PHE 50 -10.558 -2.402 9.126 369 H GLY 51 H GLY 51 -10.217 -9.462 4.473 370 HA2 GLY 51 1HA GLY 51 -11.420 -11.665 5.353 371 HA3 GLY 51 2HA GLY 51 -12.721 -10.513 5.616 372 H ALA 52 H ALA 52 -12.393 -8.974 3.391 373 HA ALA 52 HA ALA 52 -13.780 -10.755 1.590 374 HB1 ALA 52 1HB ALA 52 -14.718 -8.693 1.873 375 HB2 ALA 52 2HB ALA 52 -13.226 -7.863 1.372 376 HB3 ALA 52 3HB ALA 52 -14.095 -8.953 0.186 377 H GLU 53 H GLU 53 -12.459 -11.915 1.004 378 HA GLU 53 HA GLU 53 -11.662 -12.931 -0.545 379 HB2 GLU 53 1HB GLU 53 -12.081 -10.551 -1.859 380 HB3 GLU 53 2HB GLU 53 -10.481 -11.079 -2.457 381 HG2 GLU 53 1HG GLU 53 -11.532 -13.364 -2.875 382 HG3 GLU 53 2HG GLU 53 -13.084 -12.655 -2.481 383 H GLN 54 H GLN 54 -9.318 -13.666 -1.456 384 HA GLN 54 HA GLN 54 -7.132 -12.185 -0.246 385 HB2 GLN 54 1HB GLN 54 -6.224 -14.277 0.833 386 HB3 GLN 54 2HB GLN 54 -7.614 -13.564 1.601 387 HG2 GLN 54 1HG GLN 54 -9.058 -15.279 0.693 388 HG3 GLN 54 2HG GLN 54 -7.735 -15.927 -0.307 389 HE21 GLN 54 1HE2 GLN 54 -6.957 -14.900 2.997 390 HE22 GLN 54 2HE2 GLN 54 -6.815 -16.516 3.667 391 HA PRO 55 HA PRO 55 -5.133 -13.434 -3.885 392 HB2 PRO 55 1HB PRO 55 -2.466 -13.659 -3.170 393 HB3 PRO 55 2HB PRO 55 -3.341 -12.105 -3.354 394 HG2 PRO 55 1HG PRO 55 -2.710 -13.612 -0.830 395 HG3 PRO 55 2HG PRO 55 -2.652 -11.850 -1.157 396 HD2 PRO 55 1HD PRO 55 -4.692 -13.084 0.146 397 HD3 PRO 55 2HD PRO 55 -4.951 -11.613 -0.818 398 HA PRO 56 HA PRO 56 -4.920 -17.775 -3.971 399 HB2 PRO 56 1HB PRO 56 -2.875 -18.230 -5.914 400 HB3 PRO 56 2HB PRO 56 -4.618 -18.122 -6.168 401 HG2 PRO 56 1HG PRO 56 -2.637 -16.197 -6.966 402 HG3 PRO 56 2HG PRO 56 -4.402 -16.117 -7.179 403 HD2 PRO 56 1HD PRO 56 -2.699 -14.743 -5.211 404 HD3 PRO 56 2HD PRO 56 -4.360 -14.389 -5.694 405 HA PRO 57 HA PRO 57 -1.644 -19.000 -1.243 406 HB2 PRO 57 1HB PRO 57 -1.499 -21.721 -1.503 407 HB3 PRO 57 2HB PRO 57 -2.941 -20.893 -0.829 408 HG2 PRO 57 1HG PRO 57 -2.472 -21.837 -3.674 409 HG3 PRO 57 2HG PRO 57 -3.908 -22.148 -2.638 410 HD2 PRO 57 1HD PRO 57 -3.833 -20.146 -4.493 411 HD3 PRO 57 2HD PRO 57 -4.680 -19.929 -2.930 412 H ASN 58 H ASN 58 0.544 -19.397 -1.104 413 HA ASN 58 HA ASN 58 2.711 -19.462 -1.646 414 HB2 ASN 58 1HB ASN 58 1.766 -21.478 -3.695 415 HB3 ASN 58 2HB ASN 58 3.444 -21.006 -3.588 416 HD21 ASN 58 1HD2 ASN 58 0.893 -22.769 -1.944 417 HD22 ASN 58 2HD2 ASN 58 1.904 -23.345 -0.633 418 H THR 59 H THR 59 0.718 -17.609 -3.200 419 HA THR 59 HA THR 59 2.178 -16.929 -5.614 420 HB THR 59 HB THR 59 -0.263 -15.663 -4.272 421 HG1 THR 59 1HG THR 59 -0.029 -17.880 -6.021 422 HG21 THR 59 3HG2 THR 59 -0.856 -14.825 -6.423 423 HG22 THR 59 1HG2 THR 59 0.515 -15.671 -7.186 424 HG23 THR 59 2HG2 THR 59 0.784 -14.332 -6.055 425 H LEU 60 H LEU 60 1.180 -15.204 -2.582 426 HA LEU 60 HA LEU 60 2.284 -12.711 -3.301 427 HB2 LEU 60 1HB LEU 60 1.487 -14.019 -0.691 428 HB3 LEU 60 2HB LEU 60 2.458 -12.565 -0.616 429 HG LEU 60 HG LEU 60 -0.217 -12.734 -2.015 430 HD11 LEU 60 1HD1 LEU 60 0.642 -11.603 0.678 431 HD12 LEU 60 2HD1 LEU 60 -0.504 -12.928 0.378 432 HD13 LEU 60 3HD1 LEU 60 -0.908 -11.258 -0.067 433 HD21 LEU 60 3HD2 LEU 60 1.126 -10.941 -3.035 434 HD22 LEU 60 1HD2 LEU 60 1.631 -10.369 -1.423 435 HD23 LEU 60 2HD2 LEU 60 -0.054 -10.223 -1.935 436 H SER 61 H SER 61 4.450 -11.989 -3.193 437 HA SER 61 HA SER 61 6.475 -13.751 -1.900 438 HB2 SER 61 1HB SER 61 7.109 -11.993 -4.256 439 HB3 SER 61 2HB SER 61 7.939 -13.435 -3.661 440 HG SER 61 HG SER 61 5.939 -14.577 -4.344 441 H GLU 62 H GLU 62 8.414 -12.610 -1.158 442 HA GLU 62 HA GLU 62 7.693 -10.271 0.305 443 HB2 GLU 62 1HB GLU 62 10.509 -11.381 -0.028 444 HB3 GLU 62 2HB GLU 62 9.900 -10.343 1.267 445 HG2 GLU 62 1HG GLU 62 8.234 -12.275 1.741 446 HG3 GLU 62 2HG GLU 62 9.235 -13.256 0.739 447 H GLY 63 H GLY 63 8.469 -10.376 -2.872 448 HA2 GLY 63 1HA GLY 63 9.440 -7.551 -2.909 449 HA3 GLY 63 2HA GLY 63 10.074 -8.770 -4.018 450 H ALA 64 H ALA 64 6.678 -9.146 -3.239 451 HA ALA 64 HA ALA 64 6.004 -8.967 -5.996 452 HB1 ALA 64 1HB ALA 64 4.694 -10.212 -4.192 453 HB2 ALA 64 2HB ALA 64 4.028 -8.638 -3.694 454 HB3 ALA 64 3HB ALA 64 3.734 -9.247 -5.324 455 H GLU 65 H GLU 65 5.304 -7.213 -7.235 456 HA GLU 65 HA GLU 65 5.933 -4.579 -6.137 457 HB2 GLU 65 1HB GLU 65 5.245 -5.477 -8.952 458 HB3 GLU 65 2HB GLU 65 5.801 -3.863 -8.493 459 HG2 GLU 65 1HG GLU 65 7.881 -4.876 -7.566 460 HG3 GLU 65 2HG GLU 65 7.385 -6.464 -8.109 461 H VAL 66 H VAL 66 4.362 -3.519 -5.102 462 HA VAL 66 HA VAL 66 1.567 -4.011 -5.923 463 HB VAL 66 HB VAL 66 0.728 -4.210 -3.776 464 HG11 VAL 66 1HG1 VAL 66 3.261 -5.882 -3.652 465 HG12 VAL 66 2HG1 VAL 66 1.673 -6.273 -2.987 466 HG13 VAL 66 3HG1 VAL 66 1.931 -6.232 -4.753 467 HG21 VAL 66 3HG2 VAL 66 1.919 -2.690 -2.423 468 HG22 VAL 66 1HG2 VAL 66 2.152 -4.297 -1.724 469 HG23 VAL 66 2HG2 VAL 66 3.470 -3.565 -2.648 470 H SER 67 H SER 67 0.245 -2.291 -6.060 471 HA SER 67 HA SER 67 1.461 0.366 -5.598 472 HB2 SER 67 1HB SER 67 -0.915 0.811 -6.912 473 HB3 SER 67 2HB SER 67 0.670 0.683 -7.686 474 HG SER 67 HG SER 67 -0.838 -0.704 -8.688 475 H VAL 68 H VAL 68 0.528 1.837 -4.226 476 HA VAL 68 HA VAL 68 -1.730 0.858 -2.550 477 HB VAL 68 HB VAL 68 -0.663 2.521 -0.848 478 HG11 VAL 68 1HG1 VAL 68 0.601 -0.214 -1.173 479 HG12 VAL 68 2HG1 VAL 68 0.287 0.718 0.325 480 HG13 VAL 68 3HG1 VAL 68 -1.053 0.044 -0.607 481 HG21 VAL 68 3HG2 VAL 68 1.906 1.670 -2.224 482 HG22 VAL 68 1HG2 VAL 68 1.204 3.293 -2.292 483 HG23 VAL 68 2HG2 VAL 68 1.717 2.614 -0.735 484 H SER 69 H SER 69 -3.488 2.040 -2.636 485 HA SER 69 HA SER 69 -3.196 4.937 -3.150 486 HB2 SER 69 1HB SER 69 -5.299 4.955 -4.200 487 HB3 SER 69 2HB SER 69 -4.445 3.578 -4.916 488 HG SER 69 HG SER 69 -6.567 3.108 -4.418 489 H VAL 70 H VAL 70 -4.333 6.286 -1.617 490 HA VAL 70 HA VAL 70 -6.421 5.018 -0.226 491 HB VAL 70 HB VAL 70 -4.734 4.477 1.430 492 HG11 VAL 70 1HG1 VAL 70 -4.114 7.445 1.654 493 HG12 VAL 70 2HG1 VAL 70 -3.447 6.141 2.655 494 HG13 VAL 70 3HG1 VAL 70 -3.062 6.217 0.931 495 HG21 VAL 70 3HG2 VAL 70 -5.908 5.246 3.312 496 HG22 VAL 70 1HG2 VAL 70 -6.329 6.789 2.529 497 HG23 VAL 70 2HG2 VAL 70 -7.091 5.277 2.020 498 H TRP 71 H TRP 71 -7.975 6.504 0.279 499 HA TRP 71 HA TRP 71 -7.745 9.231 -0.820 500 HB2 TRP 71 1HB TRP 71 -10.030 7.502 0.235 501 HB3 TRP 71 2HB TRP 71 -10.199 9.177 -0.279 502 HD1 TRP 71 HD TRP 71 -9.495 5.686 -1.798 503 HE1 TRP 71 1HE TRP 71 -9.926 5.781 -4.321 504 HE3 TRP 71 3HE TRP 71 -9.978 10.720 -2.294 505 HZ2 TRP 71 2HZ TRP 71 -10.268 7.862 -6.334 506 HZ3 TRP 71 3HZ TRP 71 -10.464 11.740 -4.473 507 HH2 TRP 71 HH TRP 71 -10.688 10.359 -6.482 508 H THR 72 H THR 72 -7.063 10.786 0.574 509 HA THR 72 HA THR 72 -7.951 10.742 3.369 510 HB THR 72 HB THR 72 -5.879 9.785 3.837 511 HG1 THR 72 1HG THR 72 -5.328 11.482 4.992 512 HG21 THR 72 3HG2 THR 72 -4.703 11.265 1.453 513 HG22 THR 72 1HG2 THR 72 -4.943 9.519 1.615 514 HG23 THR 72 2HG2 THR 72 -3.751 10.336 2.629 515 H GLY 73 H GLY 73 -8.199 12.848 4.140 516 HA2 GLY 73 1HA GLY 73 -8.096 15.087 4.303 517 HA3 GLY 73 2HA GLY 73 -6.815 15.057 3.085 518 H GLY 74 H GLY 74 -7.325 15.309 0.869 519 HA2 GLY 74 1HA GLY 74 -10.110 16.102 0.176 520 HA3 GLY 74 2HA GLY 74 -8.822 17.282 -0.027 521 H ALA 75 H ALA 75 -7.594 14.092 -0.632 522 HA ALA 75 HA ALA 75 -8.125 14.282 -3.523 523 HB1 ALA 75 1HB ALA 75 -6.237 15.842 -2.952 524 HB2 ALA 75 2HB ALA 75 -5.366 14.443 -2.289 525 HB3 ALA 75 3HB ALA 75 -5.785 14.528 -4.020 526 H LEU 76 H LEU 76 -6.729 12.510 -4.671 527 HA LEU 76 HA LEU 76 -6.631 10.087 -2.979 528 HB2 LEU 76 1HB LEU 76 -8.029 10.085 -5.071 529 HB3 LEU 76 2HB LEU 76 -6.589 10.315 -6.004 530 HG LEU 76 HG LEU 76 -7.703 7.953 -5.376 531 HD11 LEU 76 1HD1 LEU 76 -6.161 8.309 -7.060 532 HD12 LEU 76 2HD1 LEU 76 -5.746 6.849 -6.138 533 HD13 LEU 76 3HD1 LEU 76 -4.812 8.390 -5.917 534 HD21 LEU 76 3HD2 LEU 76 -7.206 8.007 -2.972 535 HD22 LEU 76 1HD2 LEU 76 -5.492 7.784 -3.409 536 HD23 LEU 76 2HD2 LEU 76 -6.705 6.582 -3.855 537 H CYS 77 H CYS 77 -4.688 9.512 -2.341 538 HA CYS 77 HA CYS 77 -2.220 10.481 -3.657 539 HB2 CYS 77 1HB CYS 77 -2.904 9.619 -0.829 540 HB3 CYS 77 2HB CYS 77 -1.276 9.783 -1.443 541 HG CYS 77 HG CYS 77 -2.060 11.917 0.035 542 H ARG 78 H ARG 78 -1.331 8.879 -4.899 543 HA ARG 78 HA ARG 78 -1.718 6.097 -4.091 544 HB2 ARG 78 1HB ARG 78 -3.488 6.417 -5.673 545 HB3 ARG 78 2HB ARG 78 -2.421 7.180 -6.849 546 HG2 ARG 78 1HG ARG 78 -1.799 4.368 -5.945 547 HG3 ARG 78 2HG ARG 78 -3.194 4.597 -6.962 548 HD2 ARG 78 1HD ARG 78 -0.386 5.524 -7.692 549 HD3 ARG 78 2HD ARG 78 -1.064 3.973 -8.178 550 HE ARG 78 HE ARG 78 -1.358 6.388 -9.547 551 HH11 ARG 78 1HH1 ARG 78 -3.313 3.495 -8.822 552 HH12 ARG 78 2HH1 ARG 78 -4.357 3.728 -10.158 553 HH21 ARG 78 1HH2 ARG 78 -2.908 6.777 -11.208 554 HH22 ARG 78 2HH2 ARG 78 -4.140 5.628 -11.523 555 H CYS 79 H CYS 79 0.122 4.950 -4.292 556 HA CYS 79 HA CYS 79 2.304 6.081 -5.898 557 HB2 CYS 79 1HB CYS 79 2.379 6.698 -3.359 558 HB3 CYS 79 2HB CYS 79 2.598 5.031 -3.037 559 HG CYS 79 HG CYS 79 4.569 7.083 -4.785 560 H ASP 80 H ASP 80 4.142 4.296 -5.650 561 HA ASP 80 HA ASP 80 2.984 1.627 -6.253 562 HB2 ASP 80 1HB ASP 80 5.477 2.519 -7.619 563 HB3 ASP 80 2HB ASP 80 4.331 1.298 -8.081 564 H GLY 81 H GLY 81 4.332 -0.110 -5.398 565 HA2 GLY 81 1HA GLY 81 6.835 0.494 -4.003 566 HA3 GLY 81 2HA GLY 81 5.429 0.127 -3.019 567 H ARG 82 H ARG 82 6.916 -1.655 -2.435 568 HA ARG 82 HA ARG 82 6.306 -4.090 -4.003 569 HB2 ARG 82 1HB ARG 82 9.097 -3.644 -2.928 570 HB3 ARG 82 2HB ARG 82 8.434 -5.130 -3.628 571 HG2 ARG 82 1HG ARG 82 7.792 -3.677 -5.669 572 HG3 ARG 82 2HG ARG 82 8.903 -2.471 -5.050 573 HD2 ARG 82 1HD ARG 82 9.634 -5.382 -5.588 574 HD3 ARG 82 2HD ARG 82 9.715 -4.081 -6.753 575 HE ARG 82 HE ARG 82 11.488 -4.511 -4.410 576 HH11 ARG 82 1HH1 ARG 82 10.563 -2.223 -7.072 577 HH12 ARG 82 2HH1 ARG 82 12.139 -1.543 -7.110 578 HH21 ARG 82 1HH2 ARG 82 13.441 -3.340 -4.374 579 HH22 ARG 82 2HH2 ARG 82 13.744 -2.109 -5.576 580 H VAL 83 H VAL 83 6.637 -6.100 -2.411 581 HA VAL 83 HA VAL 83 5.427 -5.551 0.099 582 HB VAL 83 HB VAL 83 6.617 -7.991 -1.163 583 HG11 VAL 83 1HG1 VAL 83 6.877 -8.351 1.248 584 HG12 VAL 83 2HG1 VAL 83 5.186 -7.871 1.521 585 HG13 VAL 83 3HG1 VAL 83 5.588 -9.353 0.596 586 HG21 VAL 83 3HG2 VAL 83 4.251 -8.663 -1.289 587 HG22 VAL 83 1HG2 VAL 83 3.768 -7.174 -0.442 588 HG23 VAL 83 2HG2 VAL 83 4.482 -7.094 -2.062 589 H GLU 84 H GLU 84 8.809 -6.175 -0.618 590 HA GLU 84 HA GLU 84 10.733 -5.623 0.476 591 HB2 GLU 84 1HB GLU 84 9.475 -3.687 1.436 592 HB3 GLU 84 2HB GLU 84 9.185 -4.604 2.895 593 HG2 GLU 84 1HG GLU 84 11.990 -4.158 1.837 594 HG3 GLU 84 2HG GLU 84 11.187 -2.933 2.802 595 H THR 85 H THR 85 8.336 -6.801 2.885 596 HA THR 85 HA THR 85 9.768 -9.333 3.276 597 HB THR 85 HB THR 85 9.209 -7.344 5.533 598 HG1 THR 85 1HG THR 85 11.294 -7.156 4.440 599 HG21 THR 85 3HG2 THR 85 8.591 -9.549 6.352 600 HG22 THR 85 1HG2 THR 85 10.174 -9.165 7.002 601 HG23 THR 85 2HG2 THR 85 10.038 -10.272 5.627 602 H LEU 86 H LEU 86 8.226 -10.851 3.306 603 HA LEU 86 HA LEU 86 5.378 -10.068 3.728 604 HB2 LEU 86 1HB LEU 86 6.118 -11.511 1.660 605 HB3 LEU 86 2HB LEU 86 6.340 -12.793 2.856 606 HG LEU 86 HG LEU 86 3.805 -12.125 3.482 607 HD11 LEU 86 1HD1 LEU 86 3.978 -11.314 0.540 608 HD12 LEU 86 2HD1 LEU 86 3.870 -10.159 1.863 609 HD13 LEU 86 3HD1 LEU 86 2.546 -11.286 1.608 610 HD21 LEU 86 3HD2 LEU 86 4.509 -13.704 0.973 611 HD22 LEU 86 1HD2 LEU 86 2.948 -13.743 1.822 612 HD23 LEU 86 2HD2 LEU 86 4.411 -14.332 2.635 613 H ARG 87 H ARG 87 4.222 -11.500 5.347 614 HA ARG 87 HA ARG 87 6.069 -13.046 7.097 615 HB2 ARG 87 1HB ARG 87 5.624 -11.116 8.339 616 HB3 ARG 87 2HB ARG 87 3.909 -11.103 7.929 617 HG2 ARG 87 1HG ARG 87 3.434 -12.972 9.324 618 HG3 ARG 87 2HG ARG 87 5.149 -13.323 9.589 619 HD2 ARG 87 1HD ARG 87 4.012 -10.605 10.360 620 HD3 ARG 87 2HD ARG 87 3.736 -12.020 11.376 621 HE ARG 87 HE ARG 87 6.536 -11.525 10.596 622 HH11 ARG 87 1HH1 ARG 87 4.087 -10.824 13.058 623 HH12 ARG 87 2HH1 ARG 87 5.180 -10.941 14.395 624 HH21 ARG 87 1HH2 ARG 87 7.977 -11.727 12.362 625 HH22 ARG 87 2HH2 ARG 87 7.419 -11.594 13.998 626 H ASP 88 H ASP 88 2.622 -12.569 6.114 627 HA ASP 88 HA ASP 88 2.316 -15.503 5.899 628 HB2 ASP 88 1HB ASP 88 0.261 -13.650 7.136 629 HB3 ASP 88 2HB ASP 88 0.084 -15.371 6.861 630 H ASP 89 H ASP 89 0.358 -15.934 4.516 631 HA ASP 89 HA ASP 89 0.032 -14.365 2.190 632 HB2 ASP 89 1HB ASP 89 -1.578 -16.585 3.495 633 HB3 ASP 89 2HB ASP 89 -2.229 -15.726 2.125 634 H ARG 90 H ARG 90 -0.902 -13.482 5.235 635 HA ARG 90 HA ARG 90 -3.110 -11.725 4.288 636 HB2 ARG 90 1HB ARG 90 -4.126 -12.051 6.611 637 HB3 ARG 90 2HB ARG 90 -4.304 -13.376 5.474 638 HG2 ARG 90 1HG ARG 90 -2.751 -14.743 6.571 639 HG3 ARG 90 2HG ARG 90 -2.070 -13.415 7.516 640 HD2 ARG 90 1HD ARG 90 -3.781 -13.412 9.063 641 HD3 ARG 90 2HD ARG 90 -4.997 -13.881 7.877 642 HE ARG 90 HE ARG 90 -4.747 -16.035 8.393 643 HH11 ARG 90 1HH1 ARG 90 -1.794 -14.445 9.749 644 HH12 ARG 90 2HH1 ARG 90 -1.094 -15.923 10.202 645 HH21 ARG 90 1HH2 ARG 90 -3.834 -17.974 9.195 646 HH22 ARG 90 2HH2 ARG 90 -2.291 -17.930 9.982 647 H GLN 91 H GLN 91 -0.029 -11.815 5.917 648 HA GLN 91 HA GLN 91 -0.483 -9.106 7.016 649 HB2 GLN 91 1HB GLN 91 0.876 -11.448 8.378 650 HB3 GLN 91 2HB GLN 91 0.759 -9.821 9.013 651 HG2 GLN 91 1HG GLN 91 -1.577 -9.988 9.383 652 HG3 GLN 91 2HG GLN 91 -1.761 -11.430 8.445 653 HE21 GLN 91 1HE2 GLN 91 0.765 -10.904 10.990 654 HE22 GLN 91 2HE2 GLN 91 0.355 -12.403 11.764 655 H PHE 92 H PHE 92 1.105 -7.869 6.300 656 HA PHE 92 HA PHE 92 3.844 -8.813 5.912 657 HB2 PHE 92 1HB PHE 92 3.814 -8.402 3.389 658 HB3 PHE 92 2HB PHE 92 3.090 -9.867 3.990 659 HD1 PHE 92 1HD PHE 92 2.279 -6.524 2.592 660 HD2 PHE 92 2HD PHE 92 0.804 -10.443 3.590 661 HE1 PHE 92 1HE PHE 92 0.239 -6.048 1.323 662 HE2 PHE 92 2HE PHE 92 -1.318 -9.943 2.402 663 HZ PHE 92 HZ PHE 92 -1.609 -7.775 1.241 664 H ALA 93 H ALA 93 5.264 -7.227 4.795 665 HA ALA 93 HA ALA 93 4.639 -4.499 5.636 666 HB1 ALA 93 1HB ALA 93 7.174 -5.583 4.346 667 HB2 ALA 93 2HB ALA 93 6.968 -4.049 5.212 668 HB3 ALA 93 3HB ALA 93 6.894 -5.594 6.076 669 H ILE 94 H ILE 94 5.355 -2.784 4.005 670 HA ILE 94 HA ILE 94 5.729 -3.631 1.290 671 HB ILE 94 HB ILE 94 4.489 -1.562 0.477 672 HG12 ILE 94 1HG1 ILE 94 2.970 -1.876 3.098 673 HG13 ILE 94 2HG1 ILE 94 4.043 -0.535 2.668 674 HG21 ILE 94 1HG2 ILE 94 3.844 -3.883 0.006 675 HG22 ILE 94 2HG2 ILE 94 2.793 -3.886 1.445 676 HG23 ILE 94 3HG2 ILE 94 2.442 -2.802 0.087 677 HD11 ILE 94 3HD1 ILE 94 2.526 0.009 0.756 678 HD12 ILE 94 1HD1 ILE 94 1.397 -1.233 1.347 679 HD13 ILE 94 2HD1 ILE 94 1.766 0.164 2.358 680 H ARG 95 H ARG 95 7.177 -2.238 0.241 681 HA ARG 95 HA ARG 95 8.247 0.035 1.819 682 HB2 ARG 95 1HB ARG 95 9.905 -1.655 1.706 683 HB3 ARG 95 2HB ARG 95 9.795 -1.762 -0.061 684 HG2 ARG 95 1HG ARG 95 11.346 -0.120 -0.247 685 HG3 ARG 95 2HG ARG 95 10.332 0.991 0.678 686 HD2 ARG 95 1HD ARG 95 11.182 -0.082 2.791 687 HD3 ARG 95 2HD ARG 95 12.342 -0.997 1.800 688 HE ARG 95 HE ARG 95 12.622 1.708 1.103 689 HH11 ARG 95 1HH1 ARG 95 13.161 -0.366 3.983 690 HH12 ARG 95 2HH1 ARG 95 14.312 0.672 4.693 691 HH21 ARG 95 1HH2 ARG 95 14.305 3.089 2.065 692 HH22 ARG 95 2HH2 ARG 95 14.987 2.627 3.562 693 H LEU 96 H LEU 96 8.002 1.848 0.947 694 HA LEU 96 HA LEU 96 6.570 2.144 -1.610 695 HB2 LEU 96 1HB LEU 96 7.353 4.266 0.439 696 HB3 LEU 96 2HB LEU 96 6.097 4.351 -0.786 697 HG LEU 96 HG LEU 96 6.075 2.504 1.653 698 HD11 LEU 96 1HD1 LEU 96 4.254 4.862 1.210 699 HD12 LEU 96 2HD1 LEU 96 5.719 4.890 2.198 700 HD13 LEU 96 3HD1 LEU 96 4.404 3.813 2.635 701 HD21 LEU 96 3HD2 LEU 96 4.846 1.421 -0.149 702 HD22 LEU 96 1HD2 LEU 96 3.990 2.926 -0.522 703 HD23 LEU 96 2HD2 LEU 96 3.696 2.075 1.019 704 H VAL 97 H VAL 97 7.529 3.300 -3.416 705 HA VAL 97 HA VAL 97 10.433 3.940 -3.074 706 HB VAL 97 HB VAL 97 10.671 3.248 -5.492 707 HG11 VAL 97 1HG1 VAL 97 10.016 1.218 -3.345 708 HG12 VAL 97 2HG1 VAL 97 10.879 0.833 -4.862 709 HG13 VAL 97 3HG1 VAL 97 11.581 1.937 -3.684 710 HG21 VAL 97 3HG2 VAL 97 8.110 1.664 -5.028 711 HG22 VAL 97 1HG2 VAL 97 8.196 3.092 -6.070 712 HG23 VAL 97 2HG2 VAL 97 9.130 1.635 -6.460 713 H GLY 98 H GLY 98 11.277 5.690 -3.987 714 HA2 GLY 98 1HA GLY 98 11.493 7.707 -5.002 715 HA3 GLY 98 2HA GLY 98 10.054 7.394 -5.974 716 H ARG 99 H ARG 99 8.069 8.113 -5.214 717 HA ARG 99 HA ARG 99 7.687 9.097 -2.573 718 HB2 ARG 99 1HB ARG 99 7.408 11.379 -2.976 719 HB3 ARG 99 2HB ARG 99 8.982 10.984 -3.628 720 HG2 ARG 99 1HG ARG 99 6.421 11.641 -5.164 721 HG3 ARG 99 2HG ARG 99 7.932 12.552 -5.084 722 HD2 ARG 99 1HD ARG 99 9.087 10.549 -6.138 723 HD3 ARG 99 2HD ARG 99 7.464 9.894 -6.432 724 HE ARG 99 HE ARG 99 8.068 12.597 -7.448 725 HH11 ARG 99 1HH1 ARG 99 7.520 9.177 -8.152 726 HH12 ARG 99 2HH1 ARG 99 7.825 9.273 -9.832 727 HH21 ARG 99 1HH2 ARG 99 8.375 12.829 -9.758 728 HH22 ARG 99 2HH2 ARG 99 8.195 11.469 -10.784 729 H VAL 100 H VAL 100 5.584 10.104 -2.283 730 HA VAL 100 HA VAL 100 3.499 9.390 -4.222 731 HB VAL 100 HB VAL 100 3.056 8.214 -2.306 732 HG11 VAL 100 1HG1 VAL 100 4.375 8.572 -0.794 733 HG12 VAL 100 2HG1 VAL 100 3.942 10.267 -0.549 734 HG13 VAL 100 3HG1 VAL 100 2.838 8.909 -0.071 735 HG21 VAL 100 3HG2 VAL 100 1.180 8.773 -3.315 736 HG22 VAL 100 1HG2 VAL 100 0.989 8.741 -1.557 737 HG23 VAL 100 2HG2 VAL 100 1.045 10.293 -2.432 738 H ARG 101 H ARG 101 2.048 11.003 -4.641 739 HA ARG 101 HA ARG 101 1.847 13.276 -2.924 740 HB2 ARG 101 1HB ARG 101 1.486 14.891 -4.798 741 HB3 ARG 101 2HB ARG 101 3.169 14.394 -4.631 742 HG2 ARG 101 1HG ARG 101 3.231 13.371 -6.648 743 HG3 ARG 101 2HG ARG 101 1.657 12.645 -6.465 744 HD2 ARG 101 1HD ARG 101 0.914 13.987 -8.073 745 HD3 ARG 101 2HD ARG 101 0.942 15.273 -6.855 746 HE ARG 101 HE ARG 101 2.633 16.296 -7.900 747 HH11 ARG 101 1HH1 ARG 101 2.960 12.867 -8.699 748 HH12 ARG 101 2HH1 ARG 101 3.947 13.097 -10.036 749 HH21 ARG 101 1HH2 ARG 101 4.230 16.587 -9.624 750 HH22 ARG 101 2HH2 ARG 101 4.585 15.258 -10.665 751 H GLU 102 H GLU 102 -0.370 14.356 -3.600 752 HA GLU 102 HA GLU 102 -2.446 12.432 -4.270 753 HB2 GLU 102 1HB GLU 102 -3.722 14.621 -4.744 754 HB3 GLU 102 2HB GLU 102 -3.301 14.194 -3.067 755 HG2 GLU 102 1HG GLU 102 -1.787 15.849 -2.794 756 HG3 GLU 102 2HG GLU 102 -1.304 15.873 -4.469 757 H LEU 103 H LEU 103 -2.767 11.681 -6.337 758 HA LEU 103 HA LEU 103 -1.311 13.125 -8.527 759 HB2 LEU 103 1HB LEU 103 -2.728 10.505 -8.871 760 HB3 LEU 103 2HB LEU 103 -1.489 11.298 -9.869 761 HG LEU 103 HG LEU 103 -0.871 10.140 -7.144 762 HD11 LEU 103 1HD1 LEU 103 0.015 8.188 -8.373 763 HD12 LEU 103 2HD1 LEU 103 -0.559 8.868 -9.909 764 HD13 LEU 103 3HD1 LEU 103 -1.727 8.379 -8.664 765 HD21 LEU 103 3HD2 LEU 103 0.964 10.678 -9.528 766 HD22 LEU 103 1HD2 LEU 103 1.411 10.304 -7.854 767 HD23 LEU 103 2HD2 LEU 103 0.675 11.865 -8.243 768 H GLN 104 H GLN 104 -4.471 12.900 -7.202 769 HA GLN 104 HA GLN 104 -5.651 14.370 -9.399 770 HB2 GLN 104 1HB GLN 104 -6.587 11.596 -8.530 771 HB3 GLN 104 2HB GLN 104 -7.670 12.732 -9.339 772 HG2 GLN 104 1HG GLN 104 -5.182 11.495 -10.561 773 HG3 GLN 104 2HG GLN 104 -6.849 11.003 -10.818 774 HE21 GLN 104 1HE2 GLN 104 -4.548 13.641 -11.434 775 HE22 GLN 104 2HE2 GLN 104 -5.477 14.438 -12.685 776 H ARG 105 H ARG 105 -7.590 15.388 -8.680 777 HA ARG 105 HA ARG 105 -8.358 15.018 -5.812 778 HB2 ARG 105 1HB ARG 105 -8.178 17.556 -7.501 779 HB3 ARG 105 2HB ARG 105 -8.968 17.479 -5.921 780 HG2 ARG 105 1HG ARG 105 -6.821 16.692 -4.930 781 HG3 ARG 105 2HG ARG 105 -6.018 16.924 -6.484 782 HD2 ARG 105 1HD ARG 105 -7.431 19.106 -4.905 783 HD3 ARG 105 2HD ARG 105 -5.708 18.767 -4.824 784 HE ARG 105 HE ARG 105 -7.209 19.897 -7.112 785 HH11 ARG 105 1HH1 ARG 105 -3.948 18.912 -5.888 786 HH12 ARG 105 2HH1 ARG 105 -3.149 20.176 -6.766 787 HH21 ARG 105 1HH2 ARG 105 -6.025 21.603 -8.100 788 HH22 ARG 105 2HH2 ARG 105 -4.293 21.702 -7.987 789 H ARG 106 H ARG 106 -10.622 15.933 -5.462 790 HA ARG 106 HA ARG 106 -12.433 14.789 -7.519 791 HB2 ARG 106 1HB ARG 106 -11.471 13.360 -5.319 792 HB3 ARG 106 2HB ARG 106 -13.081 13.809 -4.808 793 HG2 ARG 106 1HG ARG 106 -12.541 12.510 -7.511 794 HG3 ARG 106 2HG ARG 106 -12.728 11.571 -6.022 795 HD2 ARG 106 1HD ARG 106 -14.911 12.467 -5.609 796 HD3 ARG 106 2HD ARG 106 -14.803 13.536 -7.034 797 HE ARG 106 HE ARG 106 -14.404 10.978 -8.015 798 HH11 ARG 106 1HH1 ARG 106 -16.981 12.632 -6.185 799 HH12 ARG 106 2HH1 ARG 106 -18.262 11.792 -7.006 800 HH21 ARG 106 1HH2 ARG 106 -16.166 10.086 -9.212 801 HH22 ARG 106 2HH2 ARG 106 -17.799 10.327 -8.645 802 H GLU 107 H GLU 107 -12.542 17.137 -7.698 803 HA GLU 107 HA GLU 107 -13.595 18.720 -5.523 804 HB2 GLU 107 1HB GLU 107 -12.713 19.245 -8.385 805 HB3 GLU 107 2HB GLU 107 -13.190 20.526 -7.263 806 HG2 GLU 107 1HG GLU 107 -11.275 20.431 -6.063 807 HG3 GLU 107 2HG GLU 107 -11.185 18.683 -6.080 808 H TYR 108 H TYR 108 -15.505 16.940 -5.843 809 HA TYR 108 HA TYR 108 -17.755 18.254 -7.265 810 HB2 TYR 108 1HB TYR 108 -16.898 15.369 -7.551 811 HB3 TYR 108 2HB TYR 108 -18.392 16.032 -8.207 812 HD1 TYR 108 2HD TYR 108 -18.415 17.469 -10.271 813 HD2 TYR 108 1HD TYR 108 -14.740 15.685 -8.718 814 HE1 TYR 108 2HE TYR 108 -17.189 18.150 -12.287 815 HE2 TYR 108 1HE TYR 108 -13.576 16.345 -10.798 816 HH TYR 108 HH TYR 108 -15.173 18.167 -13.364 817 H PHE 109 H PHE 109 -17.437 18.495 -4.700 818 HA PHE 109 HA PHE 109 -19.260 16.608 -3.263 819 HB2 PHE 109 1HB PHE 109 -17.619 18.987 -2.496 820 HB3 PHE 109 2HB PHE 109 -19.226 18.958 -1.800 821 HD1 PHE 109 1HD PHE 109 -15.957 17.207 -1.900 822 HD2 PHE 109 2HD PHE 109 -19.912 17.311 -0.174 823 HE1 PHE 109 1HE PHE 109 -15.202 15.728 -0.059 824 HE2 PHE 109 2HE PHE 109 -19.160 15.838 1.657 825 HZ PHE 109 HZ PHE 109 -16.807 15.042 1.737 Start of MODEL 18 1 H1 GLY 1 H GLY 1 1.473 20.768 -3.395 2 HA2 GLY 1 1HA GLY 1 3.565 19.512 -3.635 3 HA3 GLY 1 2HA GLY 1 3.647 21.072 -4.490 4 H MET 2 H MET 2 5.352 19.108 -2.411 5 HA MET 2 HA MET 2 6.901 21.326 -1.219 6 HB2 MET 2 1HB MET 2 5.717 18.972 0.339 7 HB3 MET 2 2HB MET 2 6.982 20.044 0.936 8 HG2 MET 2 1HG MET 2 5.097 20.932 1.912 9 HG3 MET 2 2HG MET 2 5.386 21.982 0.535 10 HE1 MET 2 3HE MET 2 3.393 23.115 0.107 11 HE2 MET 2 1HE MET 2 1.738 22.484 0.105 12 HE3 MET 2 2HE MET 2 2.647 22.586 1.632 13 H SER 3 H SER 3 8.945 20.356 -0.253 14 HA SER 3 HA SER 3 10.521 19.739 -2.320 15 HB2 SER 3 1HB SER 3 10.926 19.406 0.681 16 HB3 SER 3 2HB SER 3 12.236 19.532 -0.508 17 HG SER 3 HG SER 3 11.885 21.514 -0.778 18 H ALA 4 H ALA 4 8.866 17.290 -0.611 19 HA ALA 4 HA ALA 4 8.830 15.049 -0.687 20 HB1 ALA 4 1HB ALA 4 9.406 13.929 -2.806 21 HB2 ALA 4 2HB ALA 4 8.400 15.380 -3.038 22 HB3 ALA 4 3HB ALA 4 10.121 15.451 -3.401 23 H ASP 5 H ASP 5 10.314 15.611 1.051 24 HA ASP 5 HA ASP 5 13.014 14.779 1.361 25 HB2 ASP 5 1HB ASP 5 12.003 14.133 3.708 26 HB3 ASP 5 2HB ASP 5 12.061 15.822 3.208 27 H GLY 6 H GLY 6 9.991 12.887 1.283 28 HA2 GLY 6 1HA GLY 6 9.919 10.597 0.454 29 HA3 GLY 6 2HA GLY 6 11.570 10.342 1.010 30 H SER 7 H SER 7 9.394 12.182 3.048 31 HA SER 7 HA SER 7 9.093 9.966 4.989 32 HB2 SER 7 1HB SER 7 11.182 11.237 5.278 33 HB3 SER 7 2HB SER 7 10.265 12.754 5.241 34 HG SER 7 HG SER 7 10.294 12.551 7.249 35 H GLU 8 H GLU 8 7.694 12.803 3.405 36 HA GLU 8 HA GLU 8 5.539 13.225 5.189 37 HB2 GLU 8 1HB GLU 8 5.831 13.608 2.198 38 HB3 GLU 8 2HB GLU 8 4.391 14.117 3.106 39 HG2 GLU 8 1HG GLU 8 5.777 15.505 4.600 40 HG3 GLU 8 2HG GLU 8 7.225 15.025 3.741 41 H TYR 9 H TYR 9 6.147 10.251 3.734 42 HA TYR 9 HA TYR 9 3.676 9.606 2.507 43 HB2 TYR 9 1HB TYR 9 5.354 7.605 4.041 44 HB3 TYR 9 2HB TYR 9 4.376 7.341 2.623 45 HD1 TYR 9 1HD TYR 9 5.657 9.807 1.031 46 HD2 TYR 9 2HD TYR 9 7.255 6.468 3.232 47 HE1 TYR 9 1HE TYR 9 7.722 9.860 -0.353 48 HE2 TYR 9 2HE TYR 9 9.258 6.455 1.759 49 HH TYR 9 HH TYR 9 9.637 8.259 -1.113 50 H GLY 10 H GLY 10 4.732 9.335 5.920 51 HA2 GLY 10 1HA GLY 10 2.365 7.965 6.824 52 HA3 GLY 10 2HA GLY 10 3.652 8.671 7.786 53 H ARG 11 H ARG 11 2.607 11.170 5.708 54 HA ARG 11 HA ARG 11 0.665 12.233 7.661 55 HB2 ARG 11 1HB ARG 11 1.664 13.439 5.037 56 HB3 ARG 11 2HB ARG 11 0.756 14.222 6.316 57 HG2 ARG 11 1HG ARG 11 2.759 13.738 7.867 58 HG3 ARG 11 2HG ARG 11 3.626 13.301 6.369 59 HD2 ARG 11 1HD ARG 11 3.125 15.560 5.451 60 HD3 ARG 11 2HD ARG 11 2.317 15.963 6.974 61 HE ARG 11 HE ARG 11 5.080 15.018 7.254 62 HH11 ARG 11 1HH1 ARG 11 2.925 17.859 7.207 63 HH12 ARG 11 2HH1 ARG 11 4.209 19.002 7.256 64 HH21 ARG 11 1HH2 ARG 11 6.746 16.565 7.769 65 HH22 ARG 11 2HH2 ARG 11 6.363 18.263 7.743 66 H TYR 12 H TYR 12 0.742 10.077 5.099 67 HA TYR 12 HA TYR 12 -2.024 10.717 4.217 68 HB2 TYR 12 1HB TYR 12 -0.115 8.955 2.690 69 HB3 TYR 12 2HB TYR 12 -1.530 9.759 2.122 70 HD1 TYR 12 1HD TYR 12 -0.218 12.657 3.371 71 HD2 TYR 12 2HD TYR 12 0.828 9.496 0.658 72 HE1 TYR 12 1HE TYR 12 1.394 14.137 2.312 73 HE2 TYR 12 2HE TYR 12 2.261 11.006 -0.627 74 HH TYR 12 HH TYR 12 2.949 14.379 0.561 75 H PHE 13 H PHE 13 0.381 8.086 4.908 76 HA PHE 13 HA PHE 13 -1.812 6.124 5.233 77 HB2 PHE 13 1HB PHE 13 1.189 5.787 5.244 78 HB3 PHE 13 2HB PHE 13 0.003 4.508 5.154 79 HD1 PHE 13 1HD PHE 13 -1.752 4.828 3.121 80 HD2 PHE 13 2HD PHE 13 2.265 6.355 3.208 81 HE1 PHE 13 1HE PHE 13 -1.652 4.725 0.632 82 HE2 PHE 13 2HE PHE 13 2.330 6.318 0.729 83 HZ PHE 13 HZ PHE 13 0.416 5.405 -0.543 84 H GLU 14 H GLU 14 -2.583 6.215 7.125 85 HA GLU 14 HA GLU 14 -0.898 6.901 9.490 86 HB2 GLU 14 1HB GLU 14 -2.970 8.188 8.685 87 HB3 GLU 14 2HB GLU 14 -3.930 6.906 9.415 88 HG2 GLU 14 1HG GLU 14 -2.937 7.446 11.595 89 HG3 GLU 14 2HG GLU 14 -1.832 8.612 10.841 90 H GLN 15 H GLN 15 -1.484 5.826 11.463 91 HA GLN 15 HA GLN 15 -0.552 3.286 10.948 92 HB2 GLN 15 1HB GLN 15 0.205 4.418 12.902 93 HB3 GLN 15 2HB GLN 15 -1.438 4.680 13.469 94 HG2 GLN 15 1HG GLN 15 -1.673 2.465 14.297 95 HG3 GLN 15 2HG GLN 15 -0.203 1.917 13.528 96 HE21 GLN 15 1HE2 GLN 15 -1.270 2.267 16.488 97 HE22 GLN 15 2HE2 GLN 15 0.216 2.716 17.269 98 H LEU 16 H LEU 16 -3.807 3.888 11.440 99 HA LEU 16 HA LEU 16 -4.407 0.962 11.286 100 HB2 LEU 16 1HB LEU 16 -6.114 3.025 12.718 101 HB3 LEU 16 2HB LEU 16 -6.436 1.301 12.584 102 HG LEU 16 HG LEU 16 -4.234 2.622 14.207 103 HD11 LEU 16 1HD1 LEU 16 -6.604 2.678 15.040 104 HD12 LEU 16 2HD1 LEU 16 -5.482 1.816 16.098 105 HD13 LEU 16 3HD1 LEU 16 -6.584 0.895 15.063 106 HD21 LEU 16 3HD2 LEU 16 -3.856 0.251 15.061 107 HD22 LEU 16 1HD2 LEU 16 -3.250 0.591 13.438 108 HD23 LEU 16 2HD2 LEU 16 -4.751 -0.308 13.626 109 H GLN 17 H GLN 17 -4.222 3.476 9.369 110 HA GLN 17 HA GLN 17 -6.919 3.761 8.290 111 HB2 GLN 17 1HB GLN 17 -4.544 5.181 8.013 112 HB3 GLN 17 2HB GLN 17 -4.574 4.256 6.511 113 HG2 GLN 17 1HG GLN 17 -6.851 5.207 6.042 114 HG3 GLN 17 2HG GLN 17 -6.723 6.130 7.557 115 HE21 GLN 17 1HE2 GLN 17 -4.764 5.531 4.540 116 HE22 GLN 17 2HE2 GLN 17 -4.093 7.173 4.577 117 H LYS 18 H LYS 18 -7.153 3.129 5.853 118 HA LYS 18 HA LYS 18 -6.115 0.354 5.441 119 HB2 LYS 18 1HB LYS 18 -8.768 1.637 4.709 120 HB3 LYS 18 2HB LYS 18 -8.130 0.273 3.794 121 HG2 LYS 18 1HG LYS 18 -9.251 -0.968 5.251 122 HG3 LYS 18 2HG LYS 18 -7.878 -0.706 6.314 123 HD2 LYS 18 1HD LYS 18 -9.640 -0.266 7.706 124 HD3 LYS 18 2HD LYS 18 -9.191 1.359 7.195 125 HE2 LYS 18 1HE LYS 18 -11.014 1.422 5.597 126 HE3 LYS 18 2HE LYS 18 -11.359 -0.300 5.810 127 HZ1 LYS 18 3HZ LYS 18 -12.899 1.175 7.039 128 HZ2 LYS 18 1HZ LYS 18 -11.635 1.673 7.994 129 HZ3 LYS 18 2HZ LYS 18 -12.140 0.130 8.029 130 H VAL 19 H VAL 19 -5.478 -0.260 3.322 131 HA VAL 19 HA VAL 19 -5.380 1.803 1.231 132 HB VAL 19 HB VAL 19 -3.110 1.248 0.533 133 HG11 VAL 19 1HG1 VAL 19 -1.936 2.685 2.113 134 HG12 VAL 19 2HG1 VAL 19 -3.536 3.337 1.688 135 HG13 VAL 19 3HG1 VAL 19 -3.283 2.566 3.264 136 HG21 VAL 19 3HG2 VAL 19 -1.469 0.265 1.936 137 HG22 VAL 19 1HG2 VAL 19 -2.535 0.258 3.323 138 HG23 VAL 19 2HG2 VAL 19 -2.811 -0.875 1.936 139 H ASN 20 H ASN 20 -5.155 0.944 -0.883 140 HA ASN 20 HA ASN 20 -6.389 -1.581 -1.426 141 HB2 ASN 20 1HB ASN 20 -6.740 0.535 -2.702 142 HB3 ASN 20 2HB ASN 20 -5.017 0.650 -3.017 143 HD21 ASN 20 1HD2 ASN 20 -7.434 -2.081 -3.340 144 HD22 ASN 20 2HD2 ASN 20 -6.892 -2.429 -4.975 145 H LEU 21 H LEU 21 -5.313 -3.192 -2.940 146 HA LEU 21 HA LEU 21 -2.407 -3.612 -2.378 147 HB2 LEU 21 1HB LEU 21 -4.634 -5.637 -2.053 148 HB3 LEU 21 2HB LEU 21 -2.912 -5.929 -1.840 149 HG LEU 21 HG LEU 21 -4.663 -4.255 -0.031 150 HD11 LEU 21 1HD1 LEU 21 -3.349 -7.013 0.134 151 HD12 LEU 21 2HD1 LEU 21 -5.080 -6.672 0.026 152 HD13 LEU 21 3HD1 LEU 21 -4.185 -6.226 1.474 153 HD21 LEU 21 3HD2 LEU 21 -2.373 -3.342 0.043 154 HD22 LEU 21 1HD2 LEU 21 -1.699 -4.975 0.177 155 HD23 LEU 21 2HD2 LEU 21 -2.670 -4.294 1.498 156 H THR 22 H THR 22 -3.097 -2.753 -5.018 157 HA THR 22 HA THR 22 -3.615 -5.021 -6.673 158 HB THR 22 HB THR 22 -2.088 -2.539 -7.479 159 HG1 THR 22 1HG THR 22 -4.911 -2.800 -7.142 160 HG21 THR 22 3HG2 THR 22 -3.255 -2.920 -9.605 161 HG22 THR 22 1HG2 THR 22 -4.029 -4.384 -8.951 162 HG23 THR 22 2HG2 THR 22 -2.269 -4.319 -9.167 163 H VAL 23 H VAL 23 -2.272 -6.782 -6.638 164 HA VAL 23 HA VAL 23 0.709 -6.425 -6.628 165 HB VAL 23 HB VAL 23 -0.840 -8.945 -5.882 166 HG11 VAL 23 1HG1 VAL 23 1.482 -9.328 -6.683 167 HG12 VAL 23 2HG1 VAL 23 2.081 -8.195 -5.465 168 HG13 VAL 23 3HG1 VAL 23 1.318 -9.721 -4.981 169 HG21 VAL 23 3HG2 VAL 23 -1.335 -7.409 -4.089 170 HG22 VAL 23 1HG2 VAL 23 -0.100 -8.559 -3.537 171 HG23 VAL 23 2HG2 VAL 23 0.361 -6.909 -3.978 172 H ARG 24 H ARG 24 1.705 -6.890 -8.620 173 HA ARG 24 HA ARG 24 0.293 -8.094 -10.787 174 HB2 ARG 24 1HB ARG 24 2.217 -6.511 -10.984 175 HB3 ARG 24 2HB ARG 24 3.281 -7.709 -10.213 176 HG2 ARG 24 1HG ARG 24 2.684 -9.292 -12.045 177 HG3 ARG 24 2HG ARG 24 1.836 -7.968 -12.868 178 HD2 ARG 24 1HD ARG 24 4.088 -6.715 -12.828 179 HD3 ARG 24 2HD ARG 24 4.812 -8.221 -12.253 180 HE ARG 24 HE ARG 24 4.519 -9.198 -14.360 181 HH11 ARG 24 1HH1 ARG 24 2.858 -6.022 -14.303 182 HH12 ARG 24 2HH1 ARG 24 2.733 -5.938 -16.032 183 HH21 ARG 24 1HH2 ARG 24 4.101 -9.127 -16.720 184 HH22 ARG 24 2HH2 ARG 24 3.249 -7.804 -17.321 185 H LEU 25 H LEU 25 -0.103 -10.253 -11.044 186 HA LEU 25 HA LEU 25 1.599 -12.226 -9.557 187 HB2 LEU 25 1HB LEU 25 -1.286 -12.478 -10.483 188 HB3 LEU 25 2HB LEU 25 -0.353 -13.759 -9.751 189 HG LEU 25 HG LEU 25 -1.281 -11.191 -8.426 190 HD11 LEU 25 1HD1 LEU 25 -2.481 -12.843 -6.987 191 HD12 LEU 25 2HD1 LEU 25 -1.889 -14.148 -8.020 192 HD13 LEU 25 3HD1 LEU 25 -2.967 -12.916 -8.700 193 HD21 LEU 25 3HD2 LEU 25 0.706 -13.242 -7.395 194 HD22 LEU 25 1HD2 LEU 25 -0.272 -12.205 -6.317 195 HD23 LEU 25 2HD2 LEU 25 0.865 -11.494 -7.452 196 H GLY 26 H GLY 26 1.530 -10.911 -12.482 197 HA2 GLY 26 1HA GLY 26 3.142 -12.545 -13.895 198 HA3 GLY 26 2HA GLY 26 1.521 -13.269 -14.069 199 H ASP 27 H ASP 27 2.206 -12.375 -16.455 200 HA ASP 27 HA ASP 27 1.308 -9.586 -16.835 201 HB2 ASP 27 1HB ASP 27 1.281 -11.665 -19.018 202 HB3 ASP 27 2HB ASP 27 1.533 -9.932 -19.137 203 H THR 28 H THR 28 -0.022 -12.742 -16.301 204 HA THR 28 HA THR 28 -2.702 -12.091 -17.327 205 HB THR 28 HB THR 28 -2.653 -14.668 -17.558 206 HG1 THR 28 1HG THR 28 -0.490 -15.478 -17.733 207 HG21 THR 28 3HG2 THR 28 -0.660 -13.062 -19.200 208 HG22 THR 28 1HG2 THR 28 -2.418 -13.005 -19.421 209 HG23 THR 28 2HG2 THR 28 -1.565 -14.515 -19.689 210 H GLY 29 H GLY 29 -1.627 -11.588 -14.509 211 HA2 GLY 29 1HA GLY 29 -4.159 -11.890 -13.466 212 HA3 GLY 29 2HA GLY 29 -3.088 -13.045 -12.609 213 H SER 30 H SER 30 -4.382 -10.713 -11.572 214 HA SER 30 HA SER 30 -2.042 -9.817 -10.194 215 HB2 SER 30 1HB SER 30 -4.063 -7.773 -11.201 216 HB3 SER 30 2HB SER 30 -2.714 -7.517 -10.118 217 HG SER 30 HG SER 30 -2.007 -6.850 -12.012 218 H PHE 31 H PHE 31 -2.649 -9.414 -8.063 219 HA PHE 31 HA PHE 31 -5.419 -10.192 -7.279 220 HB2 PHE 31 1HB PHE 31 -3.859 -11.448 -6.009 221 HB3 PHE 31 2HB PHE 31 -2.812 -10.075 -5.714 222 HD1 PHE 31 2HD PHE 31 -6.450 -10.939 -5.241 223 HD2 PHE 31 1HD PHE 31 -2.878 -9.303 -3.485 224 HE1 PHE 31 2HE PHE 31 -7.699 -10.458 -3.123 225 HE2 PHE 31 1HE PHE 31 -4.095 -8.887 -1.371 226 HZ PHE 31 HZ PHE 31 -6.512 -9.465 -1.185 227 H ASP 32 H ASP 32 -6.526 -8.615 -5.904 228 HA ASP 32 HA ASP 32 -5.373 -6.077 -5.354 229 HB2 ASP 32 1HB ASP 32 -6.105 -5.446 -7.539 230 HB3 ASP 32 2HB ASP 32 -7.693 -6.210 -7.316 231 H GLY 33 H GLY 33 -6.206 -5.574 -3.415 232 HA2 GLY 33 1HA GLY 33 -8.884 -6.326 -2.561 233 HA3 GLY 33 2HA GLY 33 -7.563 -7.129 -1.685 234 H THR 34 H THR 34 -8.679 -5.798 0.105 235 HA THR 34 HA THR 34 -7.443 -3.109 0.335 236 HB THR 34 HB THR 34 -9.272 -3.638 2.469 237 HG1 THR 34 1HG THR 34 -10.280 -5.162 0.987 238 HG21 THR 34 3HG2 THR 34 -10.458 -1.713 1.686 239 HG22 THR 34 1HG2 THR 34 -9.624 -1.828 0.094 240 HG23 THR 34 2HG2 THR 34 -8.716 -1.435 1.571 241 H ALA 35 H ALA 35 -6.435 -2.722 2.529 242 HA ALA 35 HA ALA 35 -6.611 -4.866 4.439 243 HB1 ALA 35 1HB ALA 35 -4.448 -5.496 3.376 244 HB2 ALA 35 2HB ALA 35 -3.885 -3.860 3.485 245 HB3 ALA 35 3HB ALA 35 -4.129 -4.800 4.981 246 H ALA 36 H ALA 36 -5.574 -4.152 6.523 247 HA ALA 36 HA ALA 36 -5.907 -1.234 6.980 248 HB1 ALA 36 1HB ALA 36 -5.865 -3.572 8.947 249 HB2 ALA 36 2HB ALA 36 -6.029 -1.853 9.367 250 HB3 ALA 36 3HB ALA 36 -7.306 -2.671 8.466 251 H ILE 37 H ILE 37 -4.208 -0.185 7.853 252 HA ILE 37 HA ILE 37 -1.502 -1.255 7.812 253 HB ILE 37 HB ILE 37 -2.688 1.434 8.660 254 HG12 ILE 37 1HG1 ILE 37 -1.193 0.613 6.104 255 HG13 ILE 37 2HG1 ILE 37 -2.933 0.842 6.179 256 HG21 ILE 37 1HG2 ILE 37 -0.521 2.374 8.670 257 HG22 ILE 37 2HG2 ILE 37 -0.488 0.989 9.707 258 HG23 ILE 37 3HG2 ILE 37 0.240 0.848 8.094 259 HD11 ILE 37 3HD1 ILE 37 -2.645 3.206 6.695 260 HD12 ILE 37 1HD1 ILE 37 -0.880 3.026 6.579 261 HD13 ILE 37 2HD1 ILE 37 -1.897 2.753 5.160 262 H THR 38 H THR 38 -0.232 -1.232 9.725 263 HA THR 38 HA THR 38 -1.626 -1.534 12.309 264 HB THR 38 HB THR 38 -0.318 -3.692 12.720 265 HG1 THR 38 1HG THR 38 -0.036 -3.454 9.911 266 HG21 THR 38 3HG2 THR 38 -2.446 -3.818 10.547 267 HG22 THR 38 1HG2 THR 38 -2.733 -3.738 12.305 268 HG23 THR 38 2HG2 THR 38 -1.947 -5.151 11.582 269 H SER 39 H SER 39 1.578 -1.606 10.687 270 HA SER 39 HA SER 39 2.685 0.039 12.900 271 HB2 SER 39 1HB SER 39 4.084 -2.267 11.505 272 HB3 SER 39 2HB SER 39 4.701 -1.312 12.853 273 HG SER 39 HG SER 39 3.783 -3.445 13.364 274 H LEU 40 H LEU 40 3.944 1.803 12.055 275 HA LEU 40 HA LEU 40 4.734 1.748 9.217 276 HB2 LEU 40 1HB LEU 40 2.500 2.716 9.151 277 HB3 LEU 40 2HB LEU 40 2.910 3.854 10.432 278 HG LEU 40 HG LEU 40 2.750 4.615 8.078 279 HD11 LEU 40 1HD1 LEU 40 5.241 5.523 9.499 280 HD12 LEU 40 2HD1 LEU 40 3.594 6.164 9.635 281 HD13 LEU 40 3HD1 LEU 40 4.478 6.335 8.123 282 HD21 LEU 40 3HD2 LEU 40 5.488 3.867 7.356 283 HD22 LEU 40 1HD2 LEU 40 4.202 4.566 6.397 284 HD23 LEU 40 2HD2 LEU 40 4.053 2.887 6.955 285 H LYS 41 H LYS 41 6.379 2.784 8.718 286 HA LYS 41 HA LYS 41 7.666 4.726 10.475 287 HB2 LYS 41 1HB LYS 41 9.739 3.254 10.361 288 HB3 LYS 41 2HB LYS 41 8.481 2.969 11.597 289 HG2 LYS 41 1HG LYS 41 8.251 1.319 9.189 290 HG3 LYS 41 2HG LYS 41 9.716 1.036 10.112 291 HD2 LYS 41 1HD LYS 41 6.873 0.920 11.234 292 HD3 LYS 41 2HD LYS 41 7.784 -0.470 10.678 293 HE2 LYS 41 1HE LYS 41 9.471 -0.185 12.385 294 HE3 LYS 41 2HE LYS 41 8.787 1.359 12.907 295 HZ1 LYS 41 3HZ LYS 41 7.330 -1.199 13.043 296 HZ2 LYS 41 1HZ LYS 41 6.824 0.256 13.643 297 HZ3 LYS 41 2HZ LYS 41 8.116 -0.516 14.315 298 H GLY 42 H GLY 42 7.478 6.192 8.871 299 HA2 GLY 42 1HA GLY 42 7.827 7.296 6.920 300 HA3 GLY 42 2HA GLY 42 9.430 6.525 6.958 301 H SER 43 H SER 43 9.925 5.158 5.338 302 HA SER 43 HA SER 43 8.151 4.597 3.099 303 HB2 SER 43 1HB SER 43 10.093 3.507 2.272 304 HB3 SER 43 2HB SER 43 10.432 5.132 2.813 305 HG SER 43 HG SER 43 11.537 4.442 4.520 306 H LEU 44 H LEU 44 8.227 2.988 6.058 307 HA LEU 44 HA LEU 44 7.469 0.486 4.613 308 HB2 LEU 44 1HB LEU 44 9.624 0.519 6.031 309 HB3 LEU 44 2HB LEU 44 8.595 0.589 7.381 310 HG LEU 44 HG LEU 44 7.299 -1.456 6.320 311 HD11 LEU 44 1HD1 LEU 44 8.579 -1.483 4.207 312 HD12 LEU 44 2HD1 LEU 44 8.810 -2.981 5.112 313 HD13 LEU 44 3HD1 LEU 44 10.083 -1.741 5.113 314 HD21 LEU 44 3HD2 LEU 44 8.406 -1.501 8.476 315 HD22 LEU 44 1HD2 LEU 44 9.981 -1.723 7.702 316 HD23 LEU 44 2HD2 LEU 44 8.754 -2.997 7.562 317 H ALA 45 H ALA 45 5.345 0.086 4.772 318 HA ALA 45 HA ALA 45 3.979 0.553 7.393 319 HB1 ALA 45 1HB ALA 45 1.838 0.429 6.249 320 HB2 ALA 45 2HB ALA 45 2.811 1.679 5.447 321 HB3 ALA 45 3HB ALA 45 2.631 0.082 4.706 322 H TRP 46 H TRP 46 2.841 -1.233 8.184 323 HA TRP 46 HA TRP 46 3.211 -3.893 6.899 324 HB2 TRP 46 1HB TRP 46 3.350 -3.072 9.776 325 HB3 TRP 46 2HB TRP 46 2.698 -4.630 9.385 326 HD1 TRP 46 HD TRP 46 6.032 -2.754 9.004 327 HE1 TRP 46 1HE TRP 46 7.922 -4.480 9.040 328 HE3 TRP 46 3HE TRP 46 3.220 -7.049 8.588 329 HZ2 TRP 46 2HZ TRP 46 8.163 -7.392 8.972 330 HZ3 TRP 46 3HZ TRP 46 4.295 -9.223 8.458 331 HH2 TRP 46 HH TRP 46 6.754 -9.412 8.619 332 H LEU 47 H LEU 47 1.393 -5.192 6.740 333 HA LEU 47 HA LEU 47 -1.178 -3.843 7.263 334 HB2 LEU 47 1HB LEU 47 -0.308 -5.337 4.761 335 HB3 LEU 47 2HB LEU 47 -1.752 -4.355 4.953 336 HG LEU 47 HG LEU 47 1.128 -3.338 4.866 337 HD11 LEU 47 1HD1 LEU 47 0.525 -2.314 2.783 338 HD12 LEU 47 2HD1 LEU 47 -1.102 -3.044 2.842 339 HD13 LEU 47 3HD1 LEU 47 0.356 -4.061 2.712 340 HD21 LEU 47 3HD2 LEU 47 -0.563 -1.132 4.478 341 HD22 LEU 47 1HD2 LEU 47 0.382 -1.504 5.917 342 HD23 LEU 47 2HD2 LEU 47 -1.295 -2.023 5.840 343 H GLU 48 H GLU 48 -3.011 -5.264 7.405 344 HA GLU 48 HA GLU 48 -2.407 -8.181 7.743 345 HB2 GLU 48 1HB GLU 48 -3.557 -8.268 9.796 346 HB3 GLU 48 2HB GLU 48 -2.432 -6.931 9.901 347 HG2 GLU 48 1HG GLU 48 -4.181 -5.300 9.749 348 HG3 GLU 48 2HG GLU 48 -5.348 -6.468 9.173 349 H LEU 49 H LEU 49 -3.456 -7.480 5.403 350 HA LEU 49 HA LEU 49 -5.247 -7.314 4.008 351 HB2 LEU 49 1HB LEU 49 -5.114 -9.967 5.232 352 HB3 LEU 49 2HB LEU 49 -6.682 -9.660 4.509 353 HG LEU 49 HG LEU 49 -4.000 -9.297 3.127 354 HD11 LEU 49 1HD1 LEU 49 -6.201 -11.327 2.606 355 HD12 LEU 49 2HD1 LEU 49 -4.797 -11.688 3.564 356 HD13 LEU 49 3HD1 LEU 49 -4.575 -11.288 1.859 357 HD21 LEU 49 3HD2 LEU 49 -5.720 -7.807 2.086 358 HD22 LEU 49 1HD2 LEU 49 -6.864 -9.140 1.997 359 HD23 LEU 49 2HD2 LEU 49 -5.383 -9.153 1.012 360 H PHE 50 H PHE 50 -7.867 -8.024 3.838 361 HA PHE 50 HA PHE 50 -9.250 -6.709 6.065 362 HB2 PHE 50 1HB PHE 50 -8.609 -5.231 3.841 363 HB3 PHE 50 2HB PHE 50 -10.179 -5.841 3.362 364 HD1 PHE 50 2HD PHE 50 -8.249 -4.189 5.991 365 HD2 PHE 50 1HD PHE 50 -12.185 -4.916 4.452 366 HE1 PHE 50 2HE PHE 50 -9.112 -2.473 7.476 367 HE2 PHE 50 1HE PHE 50 -13.119 -3.260 6.066 368 HZ PHE 50 HZ PHE 50 -11.600 -2.056 7.624 369 H GLY 51 H GLY 51 -11.192 -7.494 6.438 370 HA2 GLY 51 1HA GLY 51 -12.938 -8.974 6.414 371 HA3 GLY 51 2HA GLY 51 -12.882 -9.001 4.640 372 H ALA 52 H ALA 52 -13.044 -11.266 4.529 373 HA ALA 52 HA ALA 52 -10.842 -12.814 5.804 374 HB1 ALA 52 1HB ALA 52 -13.218 -13.277 6.492 375 HB2 ALA 52 2HB ALA 52 -13.505 -13.852 4.829 376 HB3 ALA 52 3HB ALA 52 -12.301 -14.650 5.880 377 H GLU 53 H GLU 53 -11.845 -11.580 2.794 378 HA GLU 53 HA GLU 53 -10.907 -13.559 0.963 379 HB2 GLU 53 1HB GLU 53 -11.085 -10.524 0.990 380 HB3 GLU 53 2HB GLU 53 -10.117 -11.320 -0.235 381 HG2 GLU 53 1HG GLU 53 -12.132 -12.711 -0.866 382 HG3 GLU 53 2HG GLU 53 -13.105 -11.688 0.192 383 H GLN 54 H GLN 54 -8.863 -13.997 0.190 384 HA GLN 54 HA GLN 54 -6.610 -12.386 0.774 385 HB2 GLN 54 1HB GLN 54 -5.220 -14.081 1.937 386 HB3 GLN 54 2HB GLN 54 -6.604 -13.602 2.892 387 HG2 GLN 54 1HG GLN 54 -7.770 -15.692 2.237 388 HG3 GLN 54 2HG GLN 54 -6.338 -16.188 1.322 389 HE21 GLN 54 1HE2 GLN 54 -4.211 -16.157 2.733 390 HE22 GLN 54 2HE2 GLN 54 -4.364 -16.818 4.343 391 HA PRO 55 HA PRO 55 -5.602 -14.101 -3.127 392 HB2 PRO 55 1HB PRO 55 -2.824 -14.251 -3.128 393 HB3 PRO 55 2HB PRO 55 -3.770 -12.742 -3.324 394 HG2 PRO 55 1HG PRO 55 -2.466 -13.860 -0.838 395 HG3 PRO 55 2HG PRO 55 -2.473 -12.165 -1.435 396 HD2 PRO 55 1HD PRO 55 -4.152 -13.028 0.505 397 HD3 PRO 55 2HD PRO 55 -4.681 -11.815 -0.686 398 HA PRO 56 HA PRO 56 -4.796 -18.512 -2.958 399 HB2 PRO 56 1HB PRO 56 -2.915 -18.893 -5.012 400 HB3 PRO 56 2HB PRO 56 -4.694 -18.810 -5.232 401 HG2 PRO 56 1HG PRO 56 -2.626 -16.660 -5.607 402 HG3 PRO 56 2HG PRO 56 -4.053 -17.017 -6.631 403 HD2 PRO 56 1HD PRO 56 -4.007 -14.989 -4.836 404 HD3 PRO 56 2HD PRO 56 -5.499 -15.912 -5.115 405 HA PRO 57 HA PRO 57 -1.203 -18.627 -0.411 406 HB2 PRO 57 1HB PRO 57 -0.445 -21.262 -0.381 407 HB3 PRO 57 2HB PRO 57 -1.981 -20.682 0.345 408 HG2 PRO 57 1HG PRO 57 -1.591 -21.905 -2.393 409 HG3 PRO 57 2HG PRO 57 -2.800 -22.351 -1.146 410 HD2 PRO 57 1HD PRO 57 -3.411 -20.651 -3.188 411 HD3 PRO 57 2HD PRO 57 -4.066 -20.394 -1.536 412 H ASN 58 H ASN 58 1.146 -18.834 -0.491 413 HA ASN 58 HA ASN 58 3.197 -18.795 -1.357 414 HB2 ASN 58 1HB ASN 58 4.005 -20.473 -2.812 415 HB3 ASN 58 2HB ASN 58 2.870 -21.168 -1.664 416 HD21 ASN 58 1HD2 ASN 58 1.948 -22.904 -2.693 417 HD22 ASN 58 2HD2 ASN 58 1.286 -22.859 -4.311 418 H THR 59 H THR 59 1.149 -16.951 -2.427 419 HA THR 59 HA THR 59 2.382 -16.282 -5.056 420 HB THR 59 HB THR 59 -0.540 -16.163 -4.255 421 HG1 THR 59 1HG THR 59 0.145 -18.301 -4.546 422 HG21 THR 59 3HG2 THR 59 0.879 -15.567 -6.858 423 HG22 THR 59 1HG2 THR 59 -0.346 -14.613 -5.974 424 HG23 THR 59 2HG2 THR 59 -0.827 -16.080 -6.809 425 H LEU 60 H LEU 60 1.644 -15.073 -1.842 426 HA LEU 60 HA LEU 60 2.575 -12.379 -2.706 427 HB2 LEU 60 1HB LEU 60 1.837 -13.524 -0.001 428 HB3 LEU 60 2HB LEU 60 2.689 -12.029 -0.264 429 HG LEU 60 HG LEU 60 -0.131 -12.587 -1.047 430 HD11 LEU 60 1HD1 LEU 60 1.032 -10.303 0.603 431 HD12 LEU 60 2HD1 LEU 60 0.456 -11.795 1.339 432 HD13 LEU 60 3HD1 LEU 60 -0.671 -10.772 0.442 433 HD21 LEU 60 3HD2 LEU 60 0.836 -11.208 -2.884 434 HD22 LEU 60 1HD2 LEU 60 1.599 -10.141 -1.695 435 HD23 LEU 60 2HD2 LEU 60 -0.179 -10.198 -1.862 436 H SER 61 H SER 61 4.634 -11.738 -2.616 437 HA SER 61 HA SER 61 6.551 -13.339 -1.066 438 HB2 SER 61 1HB SER 61 7.106 -12.231 -3.849 439 HB3 SER 61 2HB SER 61 8.007 -13.490 -3.037 440 HG SER 61 HG SER 61 6.512 -13.923 -4.874 441 H GLU 62 H GLU 62 8.609 -12.218 -0.754 442 HA GLU 62 HA GLU 62 8.238 -9.629 0.283 443 HB2 GLU 62 1HB GLU 62 10.932 -10.934 -0.247 444 HB3 GLU 62 2HB GLU 62 10.566 -9.682 0.950 445 HG2 GLU 62 1HG GLU 62 8.965 -11.527 1.944 446 HG3 GLU 62 2HG GLU 62 9.949 -12.632 1.027 447 H GLY 63 H GLY 63 8.602 -10.111 -2.887 448 HA2 GLY 63 1HA GLY 63 9.879 -7.477 -3.428 449 HA3 GLY 63 2HA GLY 63 10.513 -8.925 -4.218 450 H ALA 64 H ALA 64 7.070 -8.692 -3.461 451 HA ALA 64 HA ALA 64 6.274 -8.810 -6.245 452 HB1 ALA 64 1HB ALA 64 4.146 -9.058 -5.349 453 HB2 ALA 64 2HB ALA 64 5.109 -9.635 -3.966 454 HB3 ALA 64 3HB ALA 64 4.444 -7.992 -3.983 455 H GLU 65 H GLU 65 5.445 -7.028 -7.515 456 HA GLU 65 HA GLU 65 6.203 -4.354 -6.565 457 HB2 GLU 65 1HB GLU 65 5.864 -3.621 -8.802 458 HB3 GLU 65 2HB GLU 65 7.116 -4.837 -8.723 459 HG2 GLU 65 1HG GLU 65 5.841 -6.404 -9.950 460 HG3 GLU 65 2HG GLU 65 4.314 -5.601 -9.597 461 H VAL 66 H VAL 66 4.660 -3.094 -5.781 462 HA VAL 66 HA VAL 66 1.819 -3.803 -6.160 463 HB VAL 66 HB VAL 66 1.455 -3.874 -3.754 464 HG11 VAL 66 1HG1 VAL 66 2.384 -6.028 -3.279 465 HG12 VAL 66 2HG1 VAL 66 2.068 -5.958 -5.028 466 HG13 VAL 66 3HG1 VAL 66 3.719 -5.794 -4.417 467 HG21 VAL 66 3HG2 VAL 66 3.421 -4.156 -2.206 468 HG22 VAL 66 1HG2 VAL 66 4.484 -3.569 -3.495 469 HG23 VAL 66 2HG2 VAL 66 3.218 -2.525 -2.820 470 H SER 67 H SER 67 0.306 -2.069 -5.578 471 HA SER 67 HA SER 67 1.606 0.611 -5.415 472 HB2 SER 67 1HB SER 67 -1.084 0.583 -6.520 473 HB3 SER 67 2HB SER 67 0.416 1.236 -7.182 474 HG SER 67 HG SER 67 0.790 -0.617 -8.232 475 H VAL 68 H VAL 68 0.552 2.242 -4.148 476 HA VAL 68 HA VAL 68 -1.705 1.327 -2.474 477 HB VAL 68 HB VAL 68 -0.654 2.933 -0.744 478 HG11 VAL 68 1HG1 VAL 68 0.242 1.092 0.458 479 HG12 VAL 68 2HG1 VAL 68 -1.158 0.524 -0.449 480 HG13 VAL 68 3HG1 VAL 68 0.479 0.147 -1.039 481 HG21 VAL 68 3HG2 VAL 68 1.707 2.983 -0.540 482 HG22 VAL 68 1HG2 VAL 68 1.965 2.006 -2.008 483 HG23 VAL 68 2HG2 VAL 68 1.276 3.628 -2.125 484 H SER 69 H SER 69 -3.397 2.442 -2.780 485 HA SER 69 HA SER 69 -3.209 5.350 -3.316 486 HB2 SER 69 1HB SER 69 -5.380 3.546 -4.440 487 HB3 SER 69 2HB SER 69 -4.853 5.156 -4.980 488 HG SER 69 HG SER 69 -3.525 2.635 -5.280 489 H VAL 70 H VAL 70 -4.612 6.565 -1.931 490 HA VAL 70 HA VAL 70 -6.956 5.308 -0.790 491 HB VAL 70 HB VAL 70 -5.302 4.515 0.788 492 HG11 VAL 70 1HG1 VAL 70 -3.477 6.197 0.449 493 HG12 VAL 70 2HG1 VAL 70 -4.461 7.357 1.358 494 HG13 VAL 70 3HG1 VAL 70 -3.853 5.892 2.149 495 HG21 VAL 70 3HG2 VAL 70 -6.159 5.383 2.863 496 HG22 VAL 70 1HG2 VAL 70 -6.825 6.801 2.058 497 HG23 VAL 70 2HG2 VAL 70 -7.462 5.175 1.680 498 H TRP 71 H TRP 71 -8.377 6.958 0.081 499 HA TRP 71 HA TRP 71 -7.803 9.682 -0.946 500 HB2 TRP 71 1HB TRP 71 -10.332 8.406 0.163 501 HB3 TRP 71 2HB TRP 71 -10.161 10.076 -0.310 502 HD1 TRP 71 HD TRP 71 -10.454 6.588 -1.803 503 HE1 TRP 71 1HE TRP 71 -11.114 6.820 -4.333 504 HE3 TRP 71 3HE TRP 71 -9.744 11.574 -2.378 505 HZ2 TRP 71 2HZ TRP 71 -11.030 8.868 -6.349 506 HZ3 TRP 71 3HZ TRP 71 -10.175 12.712 -4.552 507 HH2 TRP 71 HH TRP 71 -10.738 11.338 -6.563 508 H THR 72 H THR 72 -6.642 10.939 0.550 509 HA THR 72 HA THR 72 -7.547 10.989 3.333 510 HB THR 72 HB THR 72 -5.947 9.097 3.212 511 HG1 THR 72 1HG THR 72 -4.705 9.702 4.912 512 HG21 THR 72 3HG2 THR 72 -4.525 10.148 1.347 513 HG22 THR 72 1HG2 THR 72 -3.687 9.306 2.654 514 HG23 THR 72 2HG2 THR 72 -3.736 11.084 2.623 515 H GLY 73 H GLY 73 -6.993 12.989 4.291 516 HA2 GLY 73 1HA GLY 73 -6.930 15.253 4.199 517 HA3 GLY 73 2HA GLY 73 -5.379 15.062 3.370 518 H GLY 74 H GLY 74 -8.743 14.278 2.449 519 HA2 GLY 74 1HA GLY 74 -10.130 14.979 0.778 520 HA3 GLY 74 2HA GLY 74 -9.125 16.410 0.608 521 H ALA 75 H ALA 75 -6.813 14.199 -0.005 522 HA ALA 75 HA ALA 75 -7.410 14.306 -2.924 523 HB1 ALA 75 1HB ALA 75 -4.998 14.202 -3.230 524 HB2 ALA 75 2HB ALA 75 -5.444 15.605 -2.249 525 HB3 ALA 75 3HB ALA 75 -4.749 14.156 -1.470 526 H LEU 76 H LEU 76 -6.755 12.621 -4.200 527 HA LEU 76 HA LEU 76 -6.637 9.911 -3.011 528 HB2 LEU 76 1HB LEU 76 -8.047 10.276 -5.020 529 HB3 LEU 76 2HB LEU 76 -6.642 10.887 -5.892 530 HG LEU 76 HG LEU 76 -5.566 8.677 -5.791 531 HD11 LEU 76 1HD1 LEU 76 -6.322 7.766 -3.723 532 HD12 LEU 76 2HD1 LEU 76 -7.023 6.730 -4.956 533 HD13 LEU 76 3HD1 LEU 76 -8.025 7.991 -4.137 534 HD21 LEU 76 3HD2 LEU 76 -7.137 9.253 -7.638 535 HD22 LEU 76 1HD2 LEU 76 -8.476 8.535 -6.734 536 HD23 LEU 76 2HD2 LEU 76 -7.116 7.539 -7.314 537 H CYS 77 H CYS 77 -4.633 9.830 -2.032 538 HA CYS 77 HA CYS 77 -2.239 10.835 -3.387 539 HB2 CYS 77 1HB CYS 77 -1.150 9.761 -1.452 540 HB3 CYS 77 2HB CYS 77 -2.362 10.984 -0.946 541 HG CYS 77 HG CYS 77 -2.361 9.165 0.756 542 H ARG 78 H ARG 78 -0.977 9.399 -4.623 543 HA ARG 78 HA ARG 78 -1.505 6.512 -4.322 544 HB2 ARG 78 1HB ARG 78 -2.936 6.613 -6.057 545 HB3 ARG 78 2HB ARG 78 -2.116 7.963 -6.813 546 HG2 ARG 78 1HG ARG 78 -2.004 5.931 -8.136 547 HG3 ARG 78 2HG ARG 78 -0.404 6.511 -7.728 548 HD2 ARG 78 1HD ARG 78 0.151 4.607 -6.741 549 HD3 ARG 78 2HD ARG 78 -1.349 4.519 -5.809 550 HE ARG 78 HE ARG 78 -2.313 3.181 -7.372 551 HH11 ARG 78 1HH1 ARG 78 0.436 4.665 -9.016 552 HH12 ARG 78 2HH1 ARG 78 0.831 3.339 -10.016 553 HH21 ARG 78 1HH2 ARG 78 -2.088 1.503 -8.950 554 HH22 ARG 78 2HH2 ARG 78 -0.808 1.529 -10.112 555 H CYS 79 H CYS 79 0.233 5.330 -4.332 556 HA CYS 79 HA CYS 79 2.686 6.374 -5.583 557 HB2 CYS 79 1HB CYS 79 2.447 6.806 -3.049 558 HB3 CYS 79 2HB CYS 79 2.623 5.099 -2.802 559 HG CYS 79 HG CYS 79 4.953 4.789 -3.854 560 H ASP 80 H ASP 80 4.347 4.730 -5.863 561 HA ASP 80 HA ASP 80 3.335 1.947 -6.188 562 HB2 ASP 80 1HB ASP 80 5.748 3.464 -7.268 563 HB3 ASP 80 2HB ASP 80 5.551 1.713 -7.387 564 H GLY 81 H GLY 81 4.666 0.251 -5.309 565 HA2 GLY 81 1HA GLY 81 6.968 0.817 -3.595 566 HA3 GLY 81 2HA GLY 81 5.484 0.221 -2.813 567 H ARG 82 H ARG 82 7.321 -1.413 -2.376 568 HA ARG 82 HA ARG 82 6.620 -3.722 -4.030 569 HB2 ARG 82 1HB ARG 82 9.451 -3.375 -3.007 570 HB3 ARG 82 2HB ARG 82 8.720 -4.860 -3.654 571 HG2 ARG 82 1HG ARG 82 8.080 -3.118 -5.662 572 HG3 ARG 82 2HG ARG 82 9.594 -2.410 -5.123 573 HD2 ARG 82 1HD ARG 82 9.023 -5.283 -6.023 574 HD3 ARG 82 2HD ARG 82 9.917 -4.033 -6.889 575 HE ARG 82 HE ARG 82 11.018 -4.642 -4.255 576 HH11 ARG 82 1HH1 ARG 82 11.227 -5.594 -7.677 577 HH12 ARG 82 2HH1 ARG 82 12.756 -6.394 -7.448 578 HH21 ARG 82 1HH2 ARG 82 12.691 -6.124 -3.934 579 HH22 ARG 82 2HH2 ARG 82 13.539 -6.808 -5.280 580 H VAL 83 H VAL 83 6.960 -5.738 -2.553 581 HA VAL 83 HA VAL 83 5.718 -5.209 -0.057 582 HB VAL 83 HB VAL 83 6.896 -7.628 -1.385 583 HG11 VAL 83 1HG1 VAL 83 5.352 -7.561 1.240 584 HG12 VAL 83 2HG1 VAL 83 5.783 -9.012 0.292 585 HG13 VAL 83 3HG1 VAL 83 7.051 -8.033 1.017 586 HG21 VAL 83 3HG2 VAL 83 4.035 -6.764 -0.725 587 HG22 VAL 83 1HG2 VAL 83 4.801 -6.605 -2.306 588 HG23 VAL 83 2HG2 VAL 83 4.506 -8.221 -1.630 589 H GLU 84 H GLU 84 9.103 -5.740 -0.811 590 HA GLU 84 HA GLU 84 11.085 -5.286 0.394 591 HB2 GLU 84 1HB GLU 84 10.118 -3.282 0.917 592 HB3 GLU 84 2HB GLU 84 9.256 -3.902 2.301 593 HG2 GLU 84 1HG GLU 84 10.955 -2.890 3.254 594 HG3 GLU 84 2HG GLU 84 11.502 -4.548 3.321 595 H THR 85 H THR 85 8.537 -6.169 2.728 596 HA THR 85 HA THR 85 10.031 -8.530 3.633 597 HB THR 85 HB THR 85 8.483 -6.743 5.549 598 HG1 THR 85 1HG THR 85 10.472 -5.871 4.361 599 HG21 THR 85 3HG2 THR 85 10.810 -8.591 6.110 600 HG22 THR 85 1HG2 THR 85 9.117 -9.111 6.197 601 HG23 THR 85 2HG2 THR 85 9.722 -7.837 7.275 602 H LEU 86 H LEU 86 8.517 -10.235 3.748 603 HA LEU 86 HA LEU 86 5.649 -9.634 3.399 604 HB2 LEU 86 1HB LEU 86 6.792 -10.745 1.579 605 HB3 LEU 86 2HB LEU 86 7.151 -12.140 2.662 606 HG LEU 86 HG LEU 86 5.601 -12.437 1.185 607 HD11 LEU 86 1HD1 LEU 86 3.849 -12.875 3.307 608 HD12 LEU 86 2HD1 LEU 86 5.326 -13.816 2.788 609 HD13 LEU 86 3HD1 LEU 86 3.953 -13.574 1.661 610 HD21 LEU 86 3HD2 LEU 86 3.149 -11.124 1.664 611 HD22 LEU 86 1HD2 LEU 86 4.317 -10.811 0.296 612 HD23 LEU 86 2HD2 LEU 86 4.372 -9.887 1.742 613 H ARG 87 H ARG 87 4.409 -11.185 4.926 614 HA ARG 87 HA ARG 87 6.337 -13.098 5.890 615 HB2 ARG 87 1HB ARG 87 6.295 -11.717 7.856 616 HB3 ARG 87 2HB ARG 87 4.642 -11.197 7.569 617 HG2 ARG 87 1HG ARG 87 3.836 -13.447 8.296 618 HG3 ARG 87 2HG ARG 87 5.475 -13.844 8.798 619 HD2 ARG 87 1HD ARG 87 5.385 -12.302 10.579 620 HD3 ARG 87 2HD ARG 87 4.308 -11.231 9.666 621 HE ARG 87 HE ARG 87 2.777 -13.443 9.964 622 HH11 ARG 87 1HH1 ARG 87 4.116 -11.061 12.251 623 HH12 ARG 87 2HH1 ARG 87 3.101 -11.587 13.560 624 HH21 ARG 87 1HH2 ARG 87 1.903 -14.411 11.765 625 HH22 ARG 87 2HH2 ARG 87 1.811 -13.622 13.297 626 H ASP 88 H ASP 88 2.864 -12.520 5.711 627 HA ASP 88 HA ASP 88 2.745 -15.332 4.847 628 HB2 ASP 88 1HB ASP 88 0.371 -14.148 6.354 629 HB3 ASP 88 2HB ASP 88 0.706 -15.835 6.042 630 H ASP 89 H ASP 89 0.745 -15.765 3.543 631 HA ASP 89 HA ASP 89 0.244 -13.831 1.566 632 HB2 ASP 89 1HB ASP 89 -1.152 -16.389 2.356 633 HB3 ASP 89 2HB ASP 89 -1.709 -15.397 1.021 634 H ARG 90 H ARG 90 -0.541 -13.251 4.680 635 HA ARG 90 HA ARG 90 -2.713 -11.473 3.896 636 HB2 ARG 90 1HB ARG 90 -3.894 -11.825 6.047 637 HB3 ARG 90 2HB ARG 90 -4.033 -13.182 4.903 638 HG2 ARG 90 1HG ARG 90 -2.558 -14.583 6.113 639 HG3 ARG 90 2HG ARG 90 -1.957 -13.259 7.102 640 HD2 ARG 90 1HD ARG 90 -3.432 -14.481 8.492 641 HD3 ARG 90 2HD ARG 90 -4.281 -12.985 8.036 642 HE ARG 90 HE ARG 90 -5.048 -14.841 6.127 643 HH11 ARG 90 1HH1 ARG 90 -5.300 -14.706 9.688 644 HH12 ARG 90 2HH1 ARG 90 -6.695 -15.717 9.740 645 HH21 ARG 90 1HH2 ARG 90 -6.937 -16.145 6.232 646 HH22 ARG 90 2HH2 ARG 90 -7.645 -16.474 7.781 647 H GLN 91 H GLN 91 0.263 -11.898 5.791 648 HA GLN 91 HA GLN 91 -0.188 -9.200 6.889 649 HB2 GLN 91 1HB GLN 91 1.157 -11.498 8.318 650 HB3 GLN 91 2HB GLN 91 1.006 -9.856 8.894 651 HG2 GLN 91 1HG GLN 91 -1.443 -10.085 9.060 652 HG3 GLN 91 2HG GLN 91 -1.362 -11.705 8.429 653 HE21 GLN 91 1HE2 GLN 91 0.276 -13.240 9.660 654 HE22 GLN 91 2HE2 GLN 91 0.025 -13.193 11.405 655 H PHE 92 H PHE 92 1.417 -7.912 6.263 656 HA PHE 92 HA PHE 92 4.141 -8.818 5.824 657 HB2 PHE 92 1HB PHE 92 4.069 -8.248 3.324 658 HB3 PHE 92 2HB PHE 92 3.461 -9.829 3.833 659 HD1 PHE 92 1HD PHE 92 2.740 -6.531 2.450 660 HD2 PHE 92 2HD PHE 92 0.981 -10.227 3.642 661 HE1 PHE 92 1HE PHE 92 0.626 -5.859 1.349 662 HE2 PHE 92 2HE PHE 92 -1.205 -9.519 2.670 663 HZ PHE 92 HZ PHE 92 -1.398 -7.313 1.512 664 H ALA 93 H ALA 93 5.324 -7.012 4.408 665 HA ALA 93 HA ALA 93 4.440 -4.395 5.423 666 HB1 ALA 93 1HB ALA 93 7.260 -5.136 4.633 667 HB2 ALA 93 2HB ALA 93 6.706 -3.864 5.756 668 HB3 ALA 93 3HB ALA 93 6.638 -5.585 6.230 669 H ILE 94 H ILE 94 5.400 -2.570 3.987 670 HA ILE 94 HA ILE 94 5.959 -3.291 1.221 671 HB ILE 94 HB ILE 94 4.558 -1.241 0.499 672 HG12 ILE 94 1HG1 ILE 94 2.893 -1.929 2.958 673 HG13 ILE 94 2HG1 ILE 94 3.932 -0.511 2.832 674 HG21 ILE 94 1HG2 ILE 94 2.701 -2.604 -0.124 675 HG22 ILE 94 2HG2 ILE 94 4.148 -3.611 -0.122 676 HG23 ILE 94 3HG2 ILE 94 2.986 -3.730 1.216 677 HD11 ILE 94 3HD1 ILE 94 2.643 0.263 0.853 678 HD12 ILE 94 1HD1 ILE 94 1.518 -1.087 1.085 679 HD13 ILE 94 2HD1 ILE 94 1.672 0.152 2.337 680 H ARG 95 H ARG 95 7.593 -2.130 0.496 681 HA ARG 95 HA ARG 95 8.574 0.349 1.863 682 HB2 ARG 95 1HB ARG 95 10.291 -1.292 1.397 683 HB3 ARG 95 2HB ARG 95 9.743 -1.487 -0.292 684 HG2 ARG 95 1HG ARG 95 11.802 -0.298 -0.236 685 HG3 ARG 95 2HG ARG 95 10.551 0.864 -0.723 686 HD2 ARG 95 1HD ARG 95 10.466 1.805 1.465 687 HD3 ARG 95 2HD ARG 95 11.339 0.460 2.184 688 HE ARG 95 HE ARG 95 13.354 1.178 1.411 689 HH11 ARG 95 1HH1 ARG 95 10.971 3.497 0.063 690 HH12 ARG 95 2HH1 ARG 95 12.020 4.865 0.297 691 HH21 ARG 95 1HH2 ARG 95 14.634 2.991 1.729 692 HH22 ARG 95 2HH2 ARG 95 14.156 4.566 1.124 693 H LEU 96 H LEU 96 7.634 2.043 1.198 694 HA LEU 96 HA LEU 96 6.357 2.350 -1.423 695 HB2 LEU 96 1HB LEU 96 7.217 4.488 0.570 696 HB3 LEU 96 2HB LEU 96 6.002 4.610 -0.707 697 HG LEU 96 HG LEU 96 5.781 2.960 1.855 698 HD11 LEU 96 1HD1 LEU 96 5.425 5.266 2.259 699 HD12 LEU 96 2HD1 LEU 96 3.856 4.465 2.273 700 HD13 LEU 96 3HD1 LEU 96 4.356 5.425 0.847 701 HD21 LEU 96 3HD2 LEU 96 3.969 3.072 -0.572 702 HD22 LEU 96 1HD2 LEU 96 3.432 2.500 1.042 703 HD23 LEU 96 2HD2 LEU 96 4.708 1.643 0.178 704 H VAL 97 H VAL 97 7.416 3.181 -3.285 705 HA VAL 97 HA VAL 97 10.301 3.817 -2.920 706 HB VAL 97 HB VAL 97 10.705 3.049 -5.171 707 HG11 VAL 97 1HG1 VAL 97 9.512 0.883 -3.388 708 HG12 VAL 97 2HG1 VAL 97 10.746 0.674 -4.660 709 HG13 VAL 97 3HG1 VAL 97 11.124 1.618 -3.218 710 HG21 VAL 97 3HG2 VAL 97 7.895 1.884 -5.189 711 HG22 VAL 97 1HG2 VAL 97 8.515 3.171 -6.236 712 HG23 VAL 97 2HG2 VAL 97 9.183 1.535 -6.357 713 H GLY 98 H GLY 98 11.131 5.531 -3.918 714 HA2 GLY 98 1HA GLY 98 11.336 7.435 -4.989 715 HA3 GLY 98 2HA GLY 98 9.765 7.221 -5.821 716 H ARG 99 H ARG 99 8.004 8.142 -5.010 717 HA ARG 99 HA ARG 99 7.673 8.890 -2.333 718 HB2 ARG 99 1HB ARG 99 7.721 11.178 -2.386 719 HB3 ARG 99 2HB ARG 99 9.198 10.766 -3.223 720 HG2 ARG 99 1HG ARG 99 6.605 11.842 -4.423 721 HG3 ARG 99 2HG ARG 99 8.169 12.646 -4.297 722 HD2 ARG 99 1HD ARG 99 9.119 10.824 -5.801 723 HD3 ARG 99 2HD ARG 99 7.438 10.296 -6.046 724 HE ARG 99 HE ARG 99 7.806 13.121 -6.517 725 HH11 ARG 99 1HH1 ARG 99 7.543 9.933 -8.020 726 HH12 ARG 99 2HH1 ARG 99 7.879 10.434 -9.612 727 HH21 ARG 99 1HH2 ARG 99 8.464 13.865 -8.553 728 HH22 ARG 99 2HH2 ARG 99 8.313 12.905 -9.985 729 H VAL 100 H VAL 100 5.624 10.144 -2.048 730 HA VAL 100 HA VAL 100 3.550 9.437 -3.995 731 HB VAL 100 HB VAL 100 3.294 8.198 -2.015 732 HG11 VAL 100 1HG1 VAL 100 3.023 8.915 0.207 733 HG12 VAL 100 2HG1 VAL 100 4.563 8.552 -0.514 734 HG13 VAL 100 3HG1 VAL 100 4.118 10.263 -0.331 735 HG21 VAL 100 3HG2 VAL 100 1.322 8.719 -3.007 736 HG22 VAL 100 1HG2 VAL 100 1.185 8.594 -1.250 737 HG23 VAL 100 2HG2 VAL 100 1.157 10.181 -2.074 738 H ARG 101 H ARG 101 1.969 10.983 -4.391 739 HA ARG 101 HA ARG 101 1.643 13.060 -2.488 740 HB2 ARG 101 1HB ARG 101 1.598 14.995 -3.993 741 HB3 ARG 101 2HB ARG 101 3.182 14.275 -3.915 742 HG2 ARG 101 1HG ARG 101 3.083 14.726 -6.105 743 HG3 ARG 101 2HG ARG 101 2.502 13.074 -6.179 744 HD2 ARG 101 1HD ARG 101 0.272 13.793 -6.697 745 HD3 ARG 101 2HD ARG 101 0.533 15.369 -5.928 746 HE ARG 101 HE ARG 101 2.246 14.959 -8.194 747 HH11 ARG 101 1HH1 ARG 101 -1.142 15.800 -7.384 748 HH12 ARG 101 2HH1 ARG 101 -1.391 16.663 -8.874 749 HH21 ARG 101 1HH2 ARG 101 1.949 16.335 -9.994 750 HH22 ARG 101 2HH2 ARG 101 0.406 16.975 -10.376 751 H GLU 102 H GLU 102 -0.389 14.131 -2.844 752 HA GLU 102 HA GLU 102 -2.742 13.048 -3.650 753 HB2 GLU 102 1HB GLU 102 -3.270 15.629 -3.939 754 HB3 GLU 102 2HB GLU 102 -2.682 15.098 -2.368 755 HG2 GLU 102 1HG GLU 102 -0.425 15.833 -2.842 756 HG3 GLU 102 2HG GLU 102 -0.833 16.260 -4.488 757 H LEU 103 H LEU 103 -2.426 11.821 -5.710 758 HA LEU 103 HA LEU 103 -1.510 13.344 -8.029 759 HB2 LEU 103 1HB LEU 103 -2.916 10.687 -8.155 760 HB3 LEU 103 2HB LEU 103 -1.877 11.483 -9.345 761 HG LEU 103 HG LEU 103 -1.009 10.104 -6.797 762 HD11 LEU 103 1HD1 LEU 103 -0.481 9.557 -9.756 763 HD12 LEU 103 2HD1 LEU 103 -1.626 8.697 -8.765 764 HD13 LEU 103 3HD1 LEU 103 0.104 8.594 -8.392 765 HD21 LEU 103 3HD2 LEU 103 0.555 11.924 -8.658 766 HD22 LEU 103 1HD2 LEU 103 1.354 10.538 -7.837 767 HD23 LEU 103 2HD2 LEU 103 0.592 11.778 -6.892 768 H GLN 104 H GLN 104 -4.556 12.647 -6.535 769 HA GLN 104 HA GLN 104 -6.035 14.181 -8.563 770 HB2 GLN 104 1HB GLN 104 -6.189 11.313 -8.224 771 HB3 GLN 104 2HB GLN 104 -7.675 11.972 -7.569 772 HG2 GLN 104 1HG GLN 104 -6.656 12.705 -10.334 773 HG3 GLN 104 2HG GLN 104 -7.575 11.234 -10.033 774 HE21 GLN 104 1HE2 GLN 104 -8.211 13.836 -11.565 775 HE22 GLN 104 2HE2 GLN 104 -9.856 14.137 -11.017 776 H ARG 105 H ARG 105 -8.247 14.794 -7.600 777 HA ARG 105 HA ARG 105 -8.075 15.350 -4.674 778 HB2 ARG 105 1HB ARG 105 -8.170 17.330 -6.991 779 HB3 ARG 105 2HB ARG 105 -8.721 17.761 -5.398 780 HG2 ARG 105 1HG ARG 105 -6.618 18.140 -4.662 781 HG3 ARG 105 2HG ARG 105 -6.114 16.525 -5.102 782 HD2 ARG 105 1HD ARG 105 -4.668 17.849 -6.331 783 HD3 ARG 105 2HD ARG 105 -5.903 17.437 -7.538 784 HE ARG 105 HE ARG 105 -6.212 19.930 -5.958 785 HH11 ARG 105 1HH1 ARG 105 -5.161 18.640 -9.164 786 HH12 ARG 105 2HH1 ARG 105 -5.033 20.212 -9.844 787 HH21 ARG 105 1HH2 ARG 105 -6.048 21.859 -6.833 788 HH22 ARG 105 2HH2 ARG 105 -5.648 22.154 -8.497 789 H ARG 106 H ARG 106 -10.327 16.404 -3.973 790 HA ARG 106 HA ARG 106 -12.422 15.875 -5.937 791 HB2 ARG 106 1HB ARG 106 -13.835 14.472 -4.549 792 HB3 ARG 106 2HB ARG 106 -12.331 13.685 -4.986 793 HG2 ARG 106 1HG ARG 106 -12.613 13.043 -2.793 794 HG3 ARG 106 2HG ARG 106 -11.493 14.379 -2.636 795 HD2 ARG 106 1HD ARG 106 -13.341 15.882 -1.987 796 HD3 ARG 106 2HD ARG 106 -14.499 14.560 -2.217 797 HE ARG 106 HE ARG 106 -12.512 13.699 -0.424 798 HH11 ARG 106 1HH1 ARG 106 -14.954 16.339 -0.360 799 HH12 ARG 106 2HH1 ARG 106 -15.282 16.106 1.304 800 HH21 ARG 106 1HH2 ARG 106 -12.992 13.467 1.793 801 HH22 ARG 106 2HH2 ARG 106 -14.181 14.514 2.531 802 H GLU 107 H GLU 107 -14.400 16.892 -5.409 803 HA GLU 107 HA GLU 107 -15.521 18.767 -4.829 804 HB2 GLU 107 1HB GLU 107 -15.634 17.136 -2.892 805 HB3 GLU 107 2HB GLU 107 -14.604 18.222 -1.986 806 HG2 GLU 107 1HG GLU 107 -16.333 19.884 -1.873 807 HG3 GLU 107 2HG GLU 107 -17.115 19.258 -3.329 808 H TYR 108 H TYR 108 -12.671 19.077 -5.550 809 HA TYR 108 HA TYR 108 -11.306 20.576 -6.168 810 HB2 TYR 108 1HB TYR 108 -13.137 22.652 -4.968 811 HB3 TYR 108 2HB TYR 108 -11.765 23.000 -5.997 812 HD1 TYR 108 2HD TYR 108 -15.132 21.394 -5.913 813 HD2 TYR 108 1HD TYR 108 -11.891 22.827 -8.361 814 HE1 TYR 108 2HE TYR 108 -16.601 21.260 -7.884 815 HE2 TYR 108 1HE TYR 108 -13.340 22.668 -10.364 816 HH TYR 108 HH TYR 108 -15.912 22.911 -10.687 817 H PHE 109 H PHE 109 -11.549 19.913 -3.068 818 HA PHE 109 HA PHE 109 -8.790 20.812 -2.563 819 HB2 PHE 109 1HB PHE 109 -11.164 21.341 -0.897 820 HB3 PHE 109 2HB PHE 109 -9.973 20.386 -0.021 821 HD1 PHE 109 2HD PHE 109 -9.296 22.990 -2.558 822 HD2 PHE 109 1HD PHE 109 -9.324 21.943 1.590 823 HE1 PHE 109 2HE PHE 109 -7.959 25.030 -2.051 824 HE2 PHE 109 1HE PHE 109 -8.033 23.986 2.146 825 HZ PHE 109 HZ PHE 109 -7.370 25.565 0.323 Start of MODEL 19 1 H1 GLY 1 H GLY 1 9.369 19.935 1.645 2 HA2 GLY 1 1HA GLY 1 10.893 18.892 0.032 3 HA3 GLY 1 2HA GLY 1 11.438 18.634 1.696 4 H MET 2 H MET 2 12.318 16.647 1.733 5 HA MET 2 HA MET 2 10.509 14.419 1.665 6 HB2 MET 2 1HB MET 2 11.924 12.953 0.325 7 HB3 MET 2 2HB MET 2 11.353 14.334 -0.610 8 HG2 MET 2 1HG MET 2 13.633 15.433 -0.053 9 HG3 MET 2 2HG MET 2 14.151 13.816 0.428 10 HE1 MET 2 3HE MET 2 16.114 14.543 -1.543 11 HE2 MET 2 1HE MET 2 15.646 14.852 -3.223 12 HE3 MET 2 2HE MET 2 15.154 15.986 -1.945 13 H SER 3 H SER 3 11.548 12.613 2.935 14 HA SER 3 HA SER 3 13.772 13.504 4.712 15 HB2 SER 3 1HB SER 3 11.876 14.105 5.978 16 HB3 SER 3 2HB SER 3 10.933 12.721 5.406 17 HG SER 3 HG SER 3 12.334 11.358 6.557 18 H ALA 4 H ALA 4 15.241 11.932 4.808 19 HA ALA 4 HA ALA 4 16.336 10.069 4.154 20 HB1 ALA 4 1HB ALA 4 15.474 9.371 6.302 21 HB2 ALA 4 2HB ALA 4 13.988 8.731 5.548 22 HB3 ALA 4 3HB ALA 4 15.561 7.983 5.220 23 H ASP 5 H ASP 5 14.740 11.167 2.121 24 HA ASP 5 HA ASP 5 14.118 10.877 0.006 25 HB2 ASP 5 1HB ASP 5 16.022 9.244 -0.094 26 HB3 ASP 5 2HB ASP 5 14.863 7.942 0.193 27 H GLY 6 H GLY 6 12.393 9.451 2.516 28 HA2 GLY 6 1HA GLY 6 9.927 9.584 1.099 29 HA3 GLY 6 2HA GLY 6 10.522 7.912 1.124 30 H SER 7 H SER 7 9.383 10.585 3.075 31 HA SER 7 HA SER 7 8.300 8.700 5.030 32 HB2 SER 7 1HB SER 7 10.736 9.179 5.651 33 HB3 SER 7 2HB SER 7 10.186 10.814 6.068 34 HG SER 7 HG SER 7 8.589 9.461 7.462 35 H GLU 8 H GLU 8 8.299 11.808 3.445 36 HA GLU 8 HA GLU 8 6.157 13.066 4.879 37 HB2 GLU 8 1HB GLU 8 5.669 14.148 2.771 38 HB3 GLU 8 2HB GLU 8 7.361 14.260 3.105 39 HG2 GLU 8 1HG GLU 8 6.169 12.210 1.201 40 HG3 GLU 8 2HG GLU 8 6.598 13.837 0.738 41 H TYR 9 H TYR 9 6.335 10.069 3.350 42 HA TYR 9 HA TYR 9 3.756 9.702 2.255 43 HB2 TYR 9 1HB TYR 9 5.415 7.779 3.881 44 HB3 TYR 9 2HB TYR 9 4.190 7.362 2.693 45 HD1 TYR 9 1HD TYR 9 5.503 9.721 0.733 46 HD2 TYR 9 2HD TYR 9 7.016 6.274 2.873 47 HE1 TYR 9 1HE TYR 9 7.309 9.474 -0.920 48 HE2 TYR 9 2HE TYR 9 8.756 6.004 1.147 49 HH TYR 9 HH TYR 9 9.734 6.886 -0.890 50 H GLY 10 H GLY 10 4.922 9.560 5.646 51 HA2 GLY 10 1HA GLY 10 2.449 8.820 6.845 52 HA3 GLY 10 2HA GLY 10 3.864 9.521 7.640 53 H ARG 11 H ARG 11 3.117 11.722 5.187 54 HA ARG 11 HA ARG 11 1.560 13.452 6.907 55 HB2 ARG 11 1HB ARG 11 2.202 13.657 3.958 56 HB3 ARG 11 2HB ARG 11 1.489 14.925 4.900 57 HG2 ARG 11 1HG ARG 11 4.122 13.943 5.929 58 HG3 ARG 11 2HG ARG 11 4.113 14.702 4.350 59 HD2 ARG 11 1HD ARG 11 4.567 16.383 6.002 60 HD3 ARG 11 2HD ARG 11 3.046 16.670 5.152 61 HE ARG 11 HE ARG 11 1.917 16.598 7.109 62 HH11 ARG 11 1HH1 ARG 11 4.893 14.702 7.731 63 HH12 ARG 11 2HH1 ARG 11 4.282 14.165 9.301 64 HH21 ARG 11 1HH2 ARG 11 1.433 16.148 9.347 65 HH22 ARG 11 2HH2 ARG 11 2.405 14.975 10.184 66 H TYR 12 H TYR 12 0.988 10.899 4.745 67 HA TYR 12 HA TYR 12 -1.842 11.695 4.275 68 HB2 TYR 12 1HB TYR 12 -0.103 9.876 2.551 69 HB3 TYR 12 2HB TYR 12 -1.601 10.655 2.114 70 HD1 TYR 12 1HD TYR 12 -1.277 13.464 2.741 71 HD2 TYR 12 2HD TYR 12 1.757 10.683 1.465 72 HE1 TYR 12 1HE TYR 12 0.202 15.325 2.154 73 HE2 TYR 12 2HE TYR 12 3.178 12.545 0.700 74 HH TYR 12 HH TYR 12 3.421 14.985 0.641 75 H PHE 13 H PHE 13 0.413 8.967 4.673 76 HA PHE 13 HA PHE 13 -1.887 7.098 5.088 77 HB2 PHE 13 1HB PHE 13 1.102 6.583 4.874 78 HB3 PHE 13 2HB PHE 13 -0.125 5.372 5.242 79 HD1 PHE 13 2HD PHE 13 1.066 7.692 2.553 80 HD2 PHE 13 1HD PHE 13 -1.507 4.386 3.558 81 HE1 PHE 13 2HE PHE 13 0.617 7.285 0.141 82 HE2 PHE 13 1HE PHE 13 -1.798 3.899 1.109 83 HZ PHE 13 HZ PHE 13 -0.723 5.303 -0.564 84 H GLU 14 H GLU 14 -1.975 5.837 7.131 85 HA GLU 14 HA GLU 14 -0.444 6.916 9.383 86 HB2 GLU 14 1HB GLU 14 -2.486 8.300 9.257 87 HB3 GLU 14 2HB GLU 14 -3.486 6.825 9.259 88 HG2 GLU 14 1HG GLU 14 -2.839 6.269 11.492 89 HG3 GLU 14 2HG GLU 14 -1.518 7.451 11.483 90 H GLN 15 H GLN 15 -0.657 5.447 11.201 91 HA GLN 15 HA GLN 15 0.011 2.831 10.499 92 HB2 GLN 15 1HB GLN 15 0.493 4.253 12.629 93 HB3 GLN 15 2HB GLN 15 -1.085 3.646 13.195 94 HG2 GLN 15 1HG GLN 15 -0.268 1.317 12.879 95 HG3 GLN 15 2HG GLN 15 1.276 1.977 12.292 96 HE21 GLN 15 1HE2 GLN 15 0.498 0.166 14.636 97 HE22 GLN 15 2HE2 GLN 15 1.126 0.940 16.057 98 H LEU 16 H LEU 16 -3.149 4.063 10.985 99 HA LEU 16 HA LEU 16 -4.237 1.291 11.072 100 HB2 LEU 16 1HB LEU 16 -4.969 3.678 12.780 101 HB3 LEU 16 2HB LEU 16 -6.118 2.398 12.432 102 HG LEU 16 HG LEU 16 -4.149 0.763 13.141 103 HD11 LEU 16 1HD1 LEU 16 -2.356 1.869 13.559 104 HD12 LEU 16 2HD1 LEU 16 -2.999 1.798 15.187 105 HD13 LEU 16 3HD1 LEU 16 -3.159 3.314 14.247 106 HD21 LEU 16 3HD2 LEU 16 -6.395 1.079 14.206 107 HD22 LEU 16 1HD2 LEU 16 -5.751 2.454 15.131 108 HD23 LEU 16 2HD2 LEU 16 -5.133 0.798 15.414 109 H GLN 17 H GLN 17 -3.893 3.609 8.964 110 HA GLN 17 HA GLN 17 -6.703 3.883 8.088 111 HB2 GLN 17 1HB GLN 17 -4.171 5.156 7.304 112 HB3 GLN 17 2HB GLN 17 -5.026 4.521 5.912 113 HG2 GLN 17 1HG GLN 17 -7.145 5.653 7.156 114 HG3 GLN 17 2HG GLN 17 -5.891 6.626 7.872 115 HE21 GLN 17 1HE2 GLN 17 -4.265 7.543 6.015 116 HE22 GLN 17 2HE2 GLN 17 -5.006 7.968 4.508 117 H LYS 18 H LYS 18 -7.236 3.242 5.855 118 HA LYS 18 HA LYS 18 -6.318 0.419 5.373 119 HB2 LYS 18 1HB LYS 18 -8.860 1.898 4.589 120 HB3 LYS 18 2HB LYS 18 -8.292 0.505 3.670 121 HG2 LYS 18 1HG LYS 18 -9.499 -0.723 5.068 122 HG3 LYS 18 2HG LYS 18 -8.105 -0.595 6.120 123 HD2 LYS 18 1HD LYS 18 -9.852 -0.059 7.552 124 HD3 LYS 18 2HD LYS 18 -9.256 1.544 7.094 125 HE2 LYS 18 1HE LYS 18 -11.027 1.673 5.329 126 HE3 LYS 18 2HE LYS 18 -11.584 0.061 5.778 127 HZ1 LYS 18 3HZ LYS 18 -12.049 1.010 8.035 128 HZ2 LYS 18 1HZ LYS 18 -12.978 1.598 6.836 129 HZ3 LYS 18 2HZ LYS 18 -11.718 2.501 7.403 130 H VAL 19 H VAL 19 -5.905 -0.234 3.182 131 HA VAL 19 HA VAL 19 -5.361 1.880 1.195 132 HB VAL 19 HB VAL 19 -3.154 1.006 0.676 133 HG11 VAL 19 1HG1 VAL 19 -3.271 1.711 3.626 134 HG12 VAL 19 2HG1 VAL 19 -1.903 1.941 2.522 135 HG13 VAL 19 3HG1 VAL 19 -3.401 2.886 2.316 136 HG21 VAL 19 3HG2 VAL 19 -3.376 -0.742 3.178 137 HG22 VAL 19 1HG2 VAL 19 -3.369 -1.331 1.505 138 HG23 VAL 19 2HG2 VAL 19 -1.935 -0.535 2.157 139 H ASN 20 H ASN 20 -5.128 0.897 -1.040 140 HA ASN 20 HA ASN 20 -6.508 -1.640 -1.385 141 HB2 ASN 20 1HB ASN 20 -6.521 0.516 -2.955 142 HB3 ASN 20 2HB ASN 20 -4.971 -0.080 -3.510 143 HD21 ASN 20 1HD2 ASN 20 -8.040 -1.762 -2.591 144 HD22 ASN 20 2HD2 ASN 20 -8.187 -2.650 -4.075 145 H LEU 21 H LEU 21 -5.489 -3.436 -2.476 146 HA LEU 21 HA LEU 21 -2.567 -3.751 -1.942 147 HB2 LEU 21 1HB LEU 21 -4.740 -5.826 -1.743 148 HB3 LEU 21 2HB LEU 21 -3.034 -6.017 -1.369 149 HG LEU 21 HG LEU 21 -5.011 -4.325 0.191 150 HD11 LEU 21 1HD1 LEU 21 -3.576 -6.960 0.802 151 HD12 LEU 21 2HD1 LEU 21 -5.253 -6.847 0.234 152 HD13 LEU 21 3HD1 LEU 21 -4.813 -6.180 1.778 153 HD21 LEU 21 3HD2 LEU 21 -3.122 -4.204 1.849 154 HD22 LEU 21 1HD2 LEU 21 -2.767 -3.342 0.354 155 HD23 LEU 21 2HD2 LEU 21 -2.041 -4.935 0.653 156 H THR 22 H THR 22 -3.071 -2.861 -4.516 157 HA THR 22 HA THR 22 -3.468 -5.005 -6.376 158 HB THR 22 HB THR 22 -1.802 -2.487 -6.598 159 HG1 THR 22 1HG THR 22 -4.408 -3.138 -7.491 160 HG21 THR 22 3HG2 THR 22 -2.146 -2.849 -9.087 161 HG22 THR 22 1HG2 THR 22 -2.716 -4.492 -8.726 162 HG23 THR 22 2HG2 THR 22 -1.057 -4.009 -8.333 163 H VAL 23 H VAL 23 -2.246 -6.729 -6.603 164 HA VAL 23 HA VAL 23 0.754 -6.554 -6.332 165 HB VAL 23 HB VAL 23 -1.050 -8.958 -5.743 166 HG11 VAL 23 1HG1 VAL 23 0.953 -10.113 -4.991 167 HG12 VAL 23 2HG1 VAL 23 1.222 -9.563 -6.637 168 HG13 VAL 23 3HG1 VAL 23 1.952 -8.677 -5.293 169 HG21 VAL 23 3HG2 VAL 23 0.653 -7.504 -3.720 170 HG22 VAL 23 1HG2 VAL 23 -1.101 -7.232 -3.903 171 HG23 VAL 23 2HG2 VAL 23 -0.483 -8.836 -3.469 172 H ARG 24 H ARG 24 1.620 -6.839 -8.489 173 HA ARG 24 HA ARG 24 -0.087 -7.827 -10.564 174 HB2 ARG 24 1HB ARG 24 1.670 -7.472 -11.990 175 HB3 ARG 24 2HB ARG 24 2.058 -6.332 -10.713 176 HG2 ARG 24 1HG ARG 24 3.545 -8.151 -9.728 177 HG3 ARG 24 2HG ARG 24 3.308 -9.080 -11.213 178 HD2 ARG 24 1HD ARG 24 4.420 -7.425 -12.558 179 HD3 ARG 24 2HD ARG 24 4.358 -6.250 -11.263 180 HE ARG 24 HE ARG 24 6.187 -7.185 -10.232 181 HH11 ARG 24 1HH1 ARG 24 5.265 -9.444 -12.857 182 HH12 ARG 24 2HH1 ARG 24 6.550 -10.549 -12.450 183 HH21 ARG 24 1HH2 ARG 24 7.705 -8.676 -9.688 184 HH22 ARG 24 2HH2 ARG 24 7.979 -10.090 -10.629 185 H LEU 25 H LEU 25 -0.278 -9.906 -11.381 186 HA LEU 25 HA LEU 25 1.115 -12.108 -9.890 187 HB2 LEU 25 1HB LEU 25 -1.696 -12.066 -11.048 188 HB3 LEU 25 2HB LEU 25 -0.913 -13.464 -10.365 189 HG LEU 25 HG LEU 25 -1.784 -10.978 -8.887 190 HD11 LEU 25 1HD1 LEU 25 -3.448 -12.649 -9.440 191 HD12 LEU 25 2HD1 LEU 25 -3.168 -12.624 -7.695 192 HD13 LEU 25 3HD1 LEU 25 -2.472 -13.928 -8.679 193 HD21 LEU 25 3HD2 LEU 25 -0.942 -12.290 -6.815 194 HD22 LEU 25 1HD2 LEU 25 0.181 -11.303 -7.730 195 HD23 LEU 25 2HD2 LEU 25 0.186 -13.035 -8.002 196 H GLY 26 H GLY 26 1.447 -10.570 -12.653 197 HA2 GLY 26 1HA GLY 26 3.137 -11.789 -14.056 198 HA3 GLY 26 2HA GLY 26 1.884 -13.029 -14.272 199 H ASP 27 H ASP 27 0.375 -12.744 -15.811 200 HA ASP 27 HA ASP 27 0.926 -10.462 -17.591 201 HB2 ASP 27 1HB ASP 27 -0.114 -13.254 -18.116 202 HB3 ASP 27 2HB ASP 27 0.164 -12.011 -19.354 203 H THR 28 H THR 28 -2.001 -12.561 -17.166 204 HA THR 28 HA THR 28 -3.583 -10.066 -16.872 205 HB THR 28 HB THR 28 -4.164 -10.810 -18.984 206 HG1 THR 28 1HG THR 28 -6.091 -11.825 -17.183 207 HG21 THR 28 3HG2 THR 28 -3.354 -13.130 -19.011 208 HG22 THR 28 1HG2 THR 28 -5.021 -13.012 -19.586 209 HG23 THR 28 2HG2 THR 28 -4.693 -13.626 -17.957 210 H GLY 29 H GLY 29 -3.192 -10.119 -14.708 211 HA2 GLY 29 1HA GLY 29 -5.373 -11.397 -13.357 212 HA3 GLY 29 2HA GLY 29 -3.785 -11.923 -12.708 213 H SER 30 H SER 30 -2.694 -10.738 -11.614 214 HA SER 30 HA SER 30 -2.131 -9.309 -10.069 215 HB2 SER 30 1HB SER 30 -4.109 -7.247 -11.019 216 HB3 SER 30 2HB SER 30 -2.839 -7.100 -9.840 217 HG SER 30 HG SER 30 -2.246 -6.262 -11.889 218 H PHE 31 H PHE 31 -2.897 -9.064 -7.945 219 HA PHE 31 HA PHE 31 -5.692 -9.903 -7.368 220 HB2 PHE 31 1HB PHE 31 -4.147 -11.340 -6.217 221 HB3 PHE 31 2HB PHE 31 -3.110 -10.041 -5.735 222 HD1 PHE 31 1HD PHE 31 -6.550 -11.486 -5.276 223 HD2 PHE 31 2HD PHE 31 -3.532 -8.858 -3.667 224 HE1 PHE 31 1HE PHE 31 -7.839 -11.295 -3.174 225 HE2 PHE 31 2HE PHE 31 -4.822 -8.699 -1.539 226 HZ PHE 31 HZ PHE 31 -6.973 -9.909 -1.295 227 H ASP 32 H ASP 32 -6.948 -8.179 -6.339 228 HA ASP 32 HA ASP 32 -5.413 -5.891 -5.340 229 HB2 ASP 32 1HB ASP 32 -7.956 -5.549 -6.959 230 HB3 ASP 32 2HB ASP 32 -6.814 -4.400 -6.252 231 H GLY 33 H GLY 33 -5.828 -6.306 -3.189 232 HA2 GLY 33 1HA GLY 33 -8.675 -6.741 -2.315 233 HA3 GLY 33 2HA GLY 33 -7.260 -7.403 -1.499 234 H THR 34 H THR 34 -8.634 -6.242 0.253 235 HA THR 34 HA THR 34 -7.739 -3.435 0.614 236 HB THR 34 HB THR 34 -9.780 -4.987 2.251 237 HG1 THR 34 1HG THR 34 -10.595 -5.126 0.263 238 HG21 THR 34 3HG2 THR 34 -8.972 -2.840 3.161 239 HG22 THR 34 1HG2 THR 34 -10.685 -2.792 2.739 240 HG23 THR 34 2HG2 THR 34 -9.492 -2.046 1.655 241 H ALA 35 H ALA 35 -6.515 -2.981 2.533 242 HA ALA 35 HA ALA 35 -6.655 -4.990 4.609 243 HB1 ALA 35 1HB ALA 35 -4.299 -4.882 5.252 244 HB2 ALA 35 2HB ALA 35 -4.402 -5.570 3.661 245 HB3 ALA 35 3HB ALA 35 -3.939 -3.861 3.839 246 H ALA 36 H ALA 36 -6.018 -4.206 6.663 247 HA ALA 36 HA ALA 36 -6.200 -1.285 7.083 248 HB1 ALA 36 1HB ALA 36 -6.469 -1.927 9.374 249 HB2 ALA 36 2HB ALA 36 -7.455 -3.089 8.453 250 HB3 ALA 36 3HB ALA 36 -5.877 -3.577 9.078 251 H ILE 37 H ILE 37 -4.283 -0.178 7.598 252 HA ILE 37 HA ILE 37 -1.693 -1.492 7.585 253 HB ILE 37 HB ILE 37 -2.550 1.308 8.448 254 HG12 ILE 37 1HG1 ILE 37 -1.177 0.494 5.852 255 HG13 ILE 37 2HG1 ILE 37 -2.906 0.688 5.942 256 HG21 ILE 37 1HG2 ILE 37 -0.283 0.598 9.360 257 HG22 ILE 37 2HG2 ILE 37 0.258 0.348 7.701 258 HG23 ILE 37 3HG2 ILE 37 -0.220 1.963 8.293 259 HD11 ILE 37 3HD1 ILE 37 -0.913 2.927 6.478 260 HD12 ILE 37 1HD1 ILE 37 -1.811 2.660 4.995 261 HD13 ILE 37 2HD1 ILE 37 -2.698 3.047 6.476 262 H THR 38 H THR 38 -0.435 -1.616 9.529 263 HA THR 38 HA THR 38 -1.832 -1.653 12.147 264 HB THR 38 HB THR 38 -0.427 -3.866 12.545 265 HG1 THR 38 1HG THR 38 -0.751 -3.751 9.739 266 HG21 THR 38 3HG2 THR 38 -2.313 -5.238 11.794 267 HG22 THR 38 1HG2 THR 38 -2.956 -3.858 10.864 268 HG23 THR 38 2HG2 THR 38 -2.868 -3.780 12.636 269 H SER 39 H SER 39 1.091 -1.185 10.250 270 HA SER 39 HA SER 39 2.314 0.204 12.491 271 HB2 SER 39 1HB SER 39 3.316 -2.422 11.463 272 HB3 SER 39 2HB SER 39 4.477 -1.152 11.861 273 HG SER 39 HG SER 39 2.377 -1.945 13.612 274 H LEU 40 H LEU 40 3.957 1.612 11.735 275 HA LEU 40 HA LEU 40 4.334 2.047 8.842 276 HB2 LEU 40 1HB LEU 40 2.123 3.001 9.256 277 HB3 LEU 40 2HB LEU 40 2.710 3.764 10.727 278 HG LEU 40 HG LEU 40 4.231 5.214 9.333 279 HD11 LEU 40 1HD1 LEU 40 4.443 3.907 7.272 280 HD12 LEU 40 2HD1 LEU 40 3.597 5.420 6.921 281 HD13 LEU 40 3HD1 LEU 40 2.679 3.915 7.038 282 HD21 LEU 40 3HD2 LEU 40 2.016 5.992 10.130 283 HD22 LEU 40 1HD2 LEU 40 1.277 5.364 8.628 284 HD23 LEU 40 2HD2 LEU 40 2.451 6.698 8.573 285 H LYS 41 H LYS 41 6.475 2.621 8.738 286 HA LYS 41 HA LYS 41 7.479 4.580 10.674 287 HB2 LYS 41 1HB LYS 41 7.943 2.165 11.524 288 HB3 LYS 41 2HB LYS 41 9.102 2.038 10.213 289 HG2 LYS 41 1HG LYS 41 10.644 3.124 11.476 290 HG3 LYS 41 2HG LYS 41 9.600 4.534 11.523 291 HD2 LYS 41 1HD LYS 41 9.973 4.051 13.789 292 HD3 LYS 41 2HD LYS 41 8.359 3.405 13.485 293 HE2 LYS 41 1HE LYS 41 9.391 1.123 13.165 294 HE3 LYS 41 2HE LYS 41 10.978 1.822 13.525 295 HZ1 LYS 41 3HZ LYS 41 10.082 2.427 15.741 296 HZ2 LYS 41 1HZ LYS 41 10.066 0.812 15.491 297 HZ3 LYS 41 2HZ LYS 41 8.678 1.653 15.384 298 H GLY 42 H GLY 42 7.140 5.839 8.664 299 HA2 GLY 42 1HA GLY 42 8.187 7.041 6.998 300 HA3 GLY 42 2HA GLY 42 9.607 6.010 7.154 301 H SER 43 H SER 43 9.961 5.529 5.074 302 HA SER 43 HA SER 43 8.237 4.481 3.039 303 HB2 SER 43 1HB SER 43 10.592 3.471 2.417 304 HB3 SER 43 2HB SER 43 10.220 5.167 2.177 305 HG SER 43 HG SER 43 11.448 5.807 3.695 306 H LEU 44 H LEU 44 8.320 3.106 5.931 307 HA LEU 44 HA LEU 44 7.949 0.435 4.695 308 HB2 LEU 44 1HB LEU 44 9.984 0.576 6.247 309 HB3 LEU 44 2HB LEU 44 8.849 0.858 7.553 310 HG LEU 44 HG LEU 44 7.666 -1.358 6.579 311 HD11 LEU 44 1HD1 LEU 44 9.119 -1.559 4.590 312 HD12 LEU 44 2HD1 LEU 44 9.317 -2.960 5.654 313 HD13 LEU 44 3HD1 LEU 44 10.551 -1.687 5.636 314 HD21 LEU 44 3HD2 LEU 44 10.207 -1.391 8.234 315 HD22 LEU 44 1HD2 LEU 44 9.074 -2.754 8.070 316 HD23 LEU 44 2HD2 LEU 44 8.522 -1.244 8.810 317 H ALA 45 H ALA 45 5.841 -0.275 5.024 318 HA ALA 45 HA ALA 45 4.518 0.474 7.563 319 HB1 ALA 45 1HB ALA 45 3.454 1.904 5.848 320 HB2 ALA 45 2HB ALA 45 3.053 0.453 4.895 321 HB3 ALA 45 3HB ALA 45 2.337 0.692 6.500 322 H TRP 46 H TRP 46 2.732 -1.168 7.941 323 HA TRP 46 HA TRP 46 3.097 -3.793 6.571 324 HB2 TRP 46 1HB TRP 46 3.109 -3.258 9.553 325 HB3 TRP 46 2HB TRP 46 2.487 -4.760 8.920 326 HD1 TRP 46 HD TRP 46 5.802 -2.793 8.712 327 HE1 TRP 46 1HE TRP 46 7.728 -4.525 8.523 328 HE3 TRP 46 3HE TRP 46 3.070 -7.142 8.492 329 HZ2 TRP 46 2HZ TRP 46 8.038 -7.316 8.158 330 HZ3 TRP 46 3HZ TRP 46 4.216 -9.289 8.167 331 HH2 TRP 46 HH TRP 46 6.701 -9.406 7.980 332 H LEU 47 H LEU 47 1.181 -4.900 6.254 333 HA LEU 47 HA LEU 47 -1.292 -3.652 7.277 334 HB2 LEU 47 1HB LEU 47 -1.369 -5.246 4.761 335 HB3 LEU 47 2HB LEU 47 -2.335 -3.922 5.334 336 HG LEU 47 HG LEU 47 -1.272 -3.385 3.326 337 HD11 LEU 47 1HD1 LEU 47 -0.337 -1.215 3.866 338 HD12 LEU 47 2HD1 LEU 47 -0.071 -1.713 5.548 339 HD13 LEU 47 3HD1 LEU 47 -1.723 -1.593 4.910 340 HD21 LEU 47 3HD2 LEU 47 0.949 -3.244 2.793 341 HD22 LEU 47 1HD2 LEU 47 0.802 -4.791 3.625 342 HD23 LEU 47 2HD2 LEU 47 1.514 -3.396 4.463 343 H GLU 48 H GLU 48 -3.169 -5.391 7.074 344 HA GLU 48 HA GLU 48 -2.241 -8.120 7.762 345 HB2 GLU 48 1HB GLU 48 -3.462 -8.094 9.841 346 HB3 GLU 48 2HB GLU 48 -2.414 -6.678 9.859 347 HG2 GLU 48 1HG GLU 48 -4.182 -5.175 9.711 348 HG3 GLU 48 2HG GLU 48 -5.228 -6.280 8.873 349 H LEU 49 H LEU 49 -3.395 -7.621 5.416 350 HA LEU 49 HA LEU 49 -5.303 -7.493 4.139 351 HB2 LEU 49 1HB LEU 49 -5.147 -10.082 5.563 352 HB3 LEU 49 2HB LEU 49 -6.746 -9.776 4.944 353 HG LEU 49 HG LEU 49 -4.172 -9.578 3.364 354 HD11 LEU 49 1HD1 LEU 49 -4.880 -11.917 4.028 355 HD12 LEU 49 2HD1 LEU 49 -4.906 -11.663 2.283 356 HD13 LEU 49 3HD1 LEU 49 -6.421 -11.648 3.229 357 HD21 LEU 49 3HD2 LEU 49 -5.800 -9.643 1.347 358 HD22 LEU 49 1HD2 LEU 49 -5.939 -8.170 2.273 359 HD23 LEU 49 2HD2 LEU 49 -7.144 -9.454 2.479 360 H PHE 50 H PHE 50 -7.837 -8.056 4.236 361 HA PHE 50 HA PHE 50 -9.054 -6.639 6.564 362 HB2 PHE 50 1HB PHE 50 -9.614 -6.691 3.686 363 HB3 PHE 50 2HB PHE 50 -10.971 -7.364 4.558 364 HD1 PHE 50 2HD PHE 50 -8.827 -4.633 6.000 365 HD2 PHE 50 1HD PHE 50 -12.483 -5.699 3.974 366 HE1 PHE 50 2HE PHE 50 -9.741 -2.454 6.556 367 HE2 PHE 50 1HE PHE 50 -13.363 -3.397 4.403 368 HZ PHE 50 HZ PHE 50 -12.041 -1.800 5.719 369 H GLY 51 H GLY 51 -9.699 -9.430 4.390 370 HA2 GLY 51 1HA GLY 51 -9.933 -11.635 5.803 371 HA3 GLY 51 2HA GLY 51 -11.216 -10.618 6.543 372 H ALA 52 H ALA 52 -11.930 -12.852 5.254 373 HA ALA 52 HA ALA 52 -13.331 -13.762 3.789 374 HB1 ALA 52 1HB ALA 52 -13.907 -11.021 2.608 375 HB2 ALA 52 2HB ALA 52 -14.841 -12.503 2.404 376 HB3 ALA 52 3HB ALA 52 -14.745 -11.725 3.994 377 H GLU 53 H GLU 53 -11.769 -11.138 1.930 378 HA GLU 53 HA GLU 53 -10.896 -12.937 -0.197 379 HB2 GLU 53 1HB GLU 53 -10.003 -10.959 -1.230 380 HB3 GLU 53 2HB GLU 53 -11.632 -10.615 -0.649 381 HG2 GLU 53 1HG GLU 53 -10.503 -9.548 1.417 382 HG3 GLU 53 2HG GLU 53 -8.986 -9.680 0.529 383 H GLN 54 H GLN 54 -8.834 -13.683 -0.457 384 HA GLN 54 HA GLN 54 -6.677 -12.241 0.545 385 HB2 GLN 54 1HB GLN 54 -5.383 -13.911 1.690 386 HB3 GLN 54 2HB GLN 54 -6.908 -13.682 2.520 387 HG2 GLN 54 1HG GLN 54 -7.711 -15.843 1.768 388 HG3 GLN 54 2HG GLN 54 -6.306 -16.037 0.699 389 HE21 GLN 54 1HE2 GLN 54 -6.467 -14.879 4.171 390 HE22 GLN 54 2HE2 GLN 54 -5.302 -16.059 4.717 391 HA PRO 55 HA PRO 55 -5.391 -13.732 -3.390 392 HB2 PRO 55 1HB PRO 55 -2.595 -13.852 -3.183 393 HB3 PRO 55 2HB PRO 55 -3.551 -12.388 -3.503 394 HG2 PRO 55 1HG PRO 55 -2.363 -13.365 -0.929 395 HG3 PRO 55 2HG PRO 55 -2.532 -11.675 -1.522 396 HD2 PRO 55 1HD PRO 55 -4.148 -12.839 0.355 397 HD3 PRO 55 2HD PRO 55 -4.725 -11.537 -0.703 398 HA PRO 56 HA PRO 56 -4.634 -18.119 -3.247 399 HB2 PRO 56 1HB PRO 56 -2.847 -18.514 -5.387 400 HB3 PRO 56 2HB PRO 56 -4.620 -18.314 -5.551 401 HG2 PRO 56 1HG PRO 56 -2.450 -16.236 -5.765 402 HG3 PRO 56 2HG PRO 56 -3.818 -16.486 -6.891 403 HD2 PRO 56 1HD PRO 56 -3.881 -14.557 -5.052 404 HD3 PRO 56 2HD PRO 56 -5.337 -15.555 -5.308 405 HA PRO 57 HA PRO 57 -0.956 -18.834 -0.881 406 HB2 PRO 57 1HB PRO 57 -0.319 -21.446 -1.574 407 HB3 PRO 57 2HB PRO 57 -1.686 -20.999 -0.476 408 HG2 PRO 57 1HG PRO 57 -1.764 -21.641 -3.430 409 HG3 PRO 57 2HG PRO 57 -2.833 -22.258 -2.126 410 HD2 PRO 57 1HD PRO 57 -3.566 -20.194 -3.714 411 HD3 PRO 57 2HD PRO 57 -3.977 -20.187 -1.974 412 H ASN 58 H ASN 58 1.359 -19.228 -1.138 413 HA ASN 58 HA ASN 58 3.357 -18.952 -2.160 414 HB2 ASN 58 1HB ASN 58 3.951 -20.722 -3.707 415 HB3 ASN 58 2HB ASN 58 2.953 -21.327 -2.400 416 HD21 ASN 58 1HD2 ASN 58 2.724 -20.143 -5.785 417 HD22 ASN 58 2HD2 ASN 58 1.251 -20.974 -6.174 418 H THR 59 H THR 59 1.290 -17.083 -3.262 419 HA THR 59 HA THR 59 2.373 -16.631 -5.995 420 HB THR 59 HB THR 59 -0.296 -15.964 -4.694 421 HG1 THR 59 1HG THR 59 -0.086 -18.120 -5.166 422 HG21 THR 59 3HG2 THR 59 -0.971 -15.488 -7.111 423 HG22 THR 59 1HG2 THR 59 0.757 -15.384 -7.475 424 HG23 THR 59 2HG2 THR 59 0.012 -14.293 -6.263 425 H LEU 60 H LEU 60 1.923 -15.075 -2.855 426 HA LEU 60 HA LEU 60 2.693 -12.390 -3.700 427 HB2 LEU 60 1HB LEU 60 2.047 -13.869 -1.157 428 HB3 LEU 60 2HB LEU 60 3.118 -12.491 -1.019 429 HG LEU 60 HG LEU 60 0.487 -12.268 -2.493 430 HD11 LEU 60 1HD1 LEU 60 -0.028 -13.036 -0.246 431 HD12 LEU 60 2HD1 LEU 60 -0.450 -11.308 -0.452 432 HD13 LEU 60 3HD1 LEU 60 1.002 -11.763 0.457 433 HD21 LEU 60 3HD2 LEU 60 2.080 -10.404 -2.873 434 HD22 LEU 60 1HD2 LEU 60 2.279 -10.205 -1.117 435 HD23 LEU 60 2HD2 LEU 60 0.718 -9.871 -1.872 436 H SER 61 H SER 61 4.832 -11.521 -3.590 437 HA SER 61 HA SER 61 6.798 -13.133 -2.104 438 HB2 SER 61 1HB SER 61 8.412 -12.890 -4.002 439 HB3 SER 61 2HB SER 61 7.029 -13.951 -4.237 440 HG SER 61 HG SER 61 6.259 -12.721 -5.750 441 H GLU 62 H GLU 62 8.784 -12.181 -1.847 442 HA GLU 62 HA GLU 62 8.427 -9.666 -0.578 443 HB2 GLU 62 1HB GLU 62 10.959 -11.301 -0.915 444 HB3 GLU 62 2HB GLU 62 10.752 -9.936 0.211 445 HG2 GLU 62 1HG GLU 62 8.754 -11.090 1.179 446 HG3 GLU 62 2HG GLU 62 9.075 -12.493 0.199 447 H GLY 63 H GLY 63 8.861 -9.953 -3.707 448 HA2 GLY 63 1HA GLY 63 10.275 -7.349 -4.062 449 HA3 GLY 63 2HA GLY 63 10.564 -8.706 -5.151 450 H ALA 64 H ALA 64 7.237 -8.627 -4.014 451 HA ALA 64 HA ALA 64 6.380 -8.217 -6.761 452 HB1 ALA 64 1HB ALA 64 4.621 -8.298 -4.250 453 HB2 ALA 64 2HB ALA 64 4.145 -8.540 -5.915 454 HB3 ALA 64 3HB ALA 64 5.179 -9.739 -5.110 455 H GLU 65 H GLU 65 6.109 -6.252 -7.639 456 HA GLU 65 HA GLU 65 6.220 -3.806 -6.159 457 HB2 GLU 65 1HB GLU 65 5.565 -2.761 -8.306 458 HB3 GLU 65 2HB GLU 65 6.995 -3.788 -8.424 459 HG2 GLU 65 1HG GLU 65 5.542 -5.609 -9.368 460 HG3 GLU 65 2HG GLU 65 4.181 -4.508 -9.359 461 H VAL 66 H VAL 66 4.630 -3.115 -4.978 462 HA VAL 66 HA VAL 66 1.839 -3.910 -5.592 463 HB VAL 66 HB VAL 66 1.274 -4.236 -3.349 464 HG11 VAL 66 1HG1 VAL 66 2.289 -6.317 -2.875 465 HG12 VAL 66 2HG1 VAL 66 2.115 -6.143 -4.639 466 HG13 VAL 66 3HG1 VAL 66 3.700 -5.932 -3.877 467 HG21 VAL 66 3HG2 VAL 66 2.940 -4.425 -1.538 468 HG22 VAL 66 1HG2 VAL 66 4.130 -3.626 -2.605 469 HG23 VAL 66 2HG2 VAL 66 2.623 -2.792 -2.135 470 H SER 67 H SER 67 0.449 -2.338 -5.553 471 HA SER 67 HA SER 67 1.531 0.395 -5.181 472 HB2 SER 67 1HB SER 67 -0.558 0.630 -6.981 473 HB3 SER 67 2HB SER 67 1.154 0.512 -7.400 474 HG SER 67 HG SER 67 -0.301 -0.982 -8.490 475 H VAL 68 H VAL 68 0.293 1.944 -4.153 476 HA VAL 68 HA VAL 68 -1.999 0.877 -2.573 477 HB VAL 68 HB VAL 68 -0.907 2.563 -0.838 478 HG11 VAL 68 1HG1 VAL 68 -1.313 0.181 -0.455 479 HG12 VAL 68 2HG1 VAL 68 0.248 -0.205 -1.223 480 HG13 VAL 68 3HG1 VAL 68 0.186 0.766 0.275 481 HG21 VAL 68 3HG2 VAL 68 1.607 1.657 -2.330 482 HG22 VAL 68 1HG2 VAL 68 0.959 3.309 -2.294 483 HG23 VAL 68 2HG2 VAL 68 1.528 2.537 -0.806 484 H SER 69 H SER 69 -3.686 2.250 -2.191 485 HA SER 69 HA SER 69 -3.587 5.037 -3.092 486 HB2 SER 69 1HB SER 69 -5.994 4.113 -4.081 487 HB3 SER 69 2HB SER 69 -4.538 4.272 -5.057 488 HG SER 69 HG SER 69 -4.967 2.253 -5.451 489 H VAL 70 H VAL 70 -4.568 6.339 -1.599 490 HA VAL 70 HA VAL 70 -6.949 5.424 -0.192 491 HB VAL 70 HB VAL 70 -5.076 4.640 1.217 492 HG11 VAL 70 1HG1 VAL 70 -4.243 7.564 1.214 493 HG12 VAL 70 2HG1 VAL 70 -3.609 6.331 2.332 494 HG13 VAL 70 3HG1 VAL 70 -3.305 6.206 0.580 495 HG21 VAL 70 3HG2 VAL 70 -6.350 7.092 2.497 496 HG22 VAL 70 1HG2 VAL 70 -7.206 5.560 2.197 497 HG23 VAL 70 2HG2 VAL 70 -5.796 5.584 3.268 498 H TRP 71 H TRP 71 -7.932 7.378 1.032 499 HA TRP 71 HA TRP 71 -7.556 9.798 -0.651 500 HB2 TRP 71 1HB TRP 71 -9.971 8.558 0.711 501 HB3 TRP 71 2HB TRP 71 -9.959 10.058 -0.168 502 HD1 TRP 71 HD TRP 71 -9.849 6.297 -0.656 503 HE1 TRP 71 1HE TRP 71 -10.381 5.674 -3.043 504 HE3 TRP 71 3HE TRP 71 -9.630 10.949 -2.721 505 HZ2 TRP 71 2HZ TRP 71 -10.559 7.044 -5.641 506 HZ3 TRP 71 3HZ TRP 71 -10.015 11.277 -5.151 507 HH2 TRP 71 HH TRP 71 -10.476 9.352 -6.606 508 H THR 72 H THR 72 -7.125 11.719 0.396 509 HA THR 72 HA THR 72 -7.276 11.781 3.357 510 HB THR 72 HB THR 72 -5.370 10.675 2.947 511 HG1 THR 72 1HG THR 72 -4.745 13.367 3.419 512 HG21 THR 72 3HG2 THR 72 -4.901 10.987 0.630 513 HG22 THR 72 1HG2 THR 72 -3.487 11.485 1.555 514 HG23 THR 72 2HG2 THR 72 -4.551 12.726 0.863 515 H GLY 73 H GLY 73 -9.009 13.298 1.917 516 HA2 GLY 73 1HA GLY 73 -9.299 15.662 2.763 517 HA3 GLY 73 2HA GLY 73 -7.903 16.066 1.749 518 H GLY 74 H GLY 74 -8.120 16.169 -0.470 519 HA2 GLY 74 1HA GLY 74 -10.846 15.906 -1.642 520 HA3 GLY 74 2HA GLY 74 -9.751 17.255 -1.964 521 H ALA 75 H ALA 75 -7.782 14.524 -1.751 522 HA ALA 75 HA ALA 75 -8.235 13.677 -4.520 523 HB1 ALA 75 1HB ALA 75 -5.560 14.654 -3.433 524 HB2 ALA 75 2HB ALA 75 -5.837 14.026 -5.060 525 HB3 ALA 75 3HB ALA 75 -6.580 15.551 -4.584 526 H LEU 76 H LEU 76 -6.675 11.952 -5.102 527 HA LEU 76 HA LEU 76 -6.743 9.809 -3.096 528 HB2 LEU 76 1HB LEU 76 -7.642 9.731 -5.581 529 HB3 LEU 76 2HB LEU 76 -5.963 9.663 -6.020 530 HG LEU 76 HG LEU 76 -7.757 7.626 -5.056 531 HD11 LEU 76 1HD1 LEU 76 -6.714 7.309 -7.123 532 HD12 LEU 76 2HD1 LEU 76 -5.998 6.101 -6.061 533 HD13 LEU 76 3HD1 LEU 76 -5.083 7.583 -6.457 534 HD21 LEU 76 3HD2 LEU 76 -6.919 7.651 -2.965 535 HD22 LEU 76 1HD2 LEU 76 -5.216 7.507 -3.546 536 HD23 LEU 76 2HD2 LEU 76 -6.408 6.203 -3.768 537 H CYS 77 H CYS 77 -4.893 9.496 -2.052 538 HA CYS 77 HA CYS 77 -2.271 10.414 -3.142 539 HB2 CYS 77 1HB CYS 77 -3.257 9.926 -0.336 540 HB3 CYS 77 2HB CYS 77 -1.617 9.489 -0.741 541 HG CYS 77 HG CYS 77 -1.648 11.939 0.342 542 H ARG 78 H ARG 78 -1.524 8.838 -4.435 543 HA ARG 78 HA ARG 78 -1.622 6.118 -3.379 544 HB2 ARG 78 1HB ARG 78 -2.612 5.142 -5.196 545 HB3 ARG 78 2HB ARG 78 -3.398 6.691 -5.267 546 HG2 ARG 78 1HG ARG 78 -2.838 6.399 -7.444 547 HG3 ARG 78 2HG ARG 78 -1.381 7.241 -6.877 548 HD2 ARG 78 1HD ARG 78 -0.054 5.313 -6.998 549 HD3 ARG 78 2HD ARG 78 -1.425 4.221 -6.815 550 HE ARG 78 HE ARG 78 -0.407 5.525 -9.247 551 HH11 ARG 78 1HH1 ARG 78 -2.694 3.165 -7.870 552 HH12 ARG 78 2HH1 ARG 78 -3.036 2.473 -9.406 553 HH21 ARG 78 1HH2 ARG 78 -1.251 4.932 -11.225 554 HH22 ARG 78 2HH2 ARG 78 -2.116 3.412 -11.362 555 H CYS 79 H CYS 79 0.058 4.787 -4.497 556 HA CYS 79 HA CYS 79 2.375 6.266 -5.440 557 HB2 CYS 79 1HB CYS 79 2.278 6.726 -2.980 558 HB3 CYS 79 2HB CYS 79 2.382 5.011 -2.677 559 HG CYS 79 HG CYS 79 4.788 4.641 -3.524 560 H ASP 80 H ASP 80 4.272 4.749 -5.499 561 HA ASP 80 HA ASP 80 3.539 1.999 -6.339 562 HB2 ASP 80 1HB ASP 80 5.988 3.766 -6.806 563 HB3 ASP 80 2HB ASP 80 5.924 2.062 -7.225 564 H GLY 81 H GLY 81 4.778 0.252 -5.362 565 HA2 GLY 81 1HA GLY 81 6.859 0.784 -3.432 566 HA3 GLY 81 2HA GLY 81 5.344 0.274 -2.686 567 H ARG 82 H ARG 82 7.079 -1.459 -2.119 568 HA ARG 82 HA ARG 82 6.550 -3.765 -3.867 569 HB2 ARG 82 1HB ARG 82 9.335 -3.218 -2.840 570 HB3 ARG 82 2HB ARG 82 8.775 -4.680 -3.666 571 HG2 ARG 82 1HG ARG 82 8.196 -3.198 -5.687 572 HG3 ARG 82 2HG ARG 82 9.053 -1.886 -4.836 573 HD2 ARG 82 1HD ARG 82 10.872 -3.687 -4.512 574 HD3 ARG 82 2HD ARG 82 10.112 -4.540 -5.867 575 HE ARG 82 HE ARG 82 10.388 -2.071 -6.907 576 HH11 ARG 82 1HH1 ARG 82 12.823 -4.234 -5.350 577 HH12 ARG 82 2HH1 ARG 82 14.139 -3.390 -6.135 578 HH21 ARG 82 1HH2 ARG 82 12.208 -1.010 -7.768 579 HH22 ARG 82 2HH2 ARG 82 13.809 -1.693 -7.550 580 H VAL 83 H VAL 83 6.873 -5.861 -2.623 581 HA VAL 83 HA VAL 83 5.655 -5.737 -0.150 582 HB VAL 83 HB VAL 83 7.188 -7.896 -1.525 583 HG11 VAL 83 1HG1 VAL 83 7.344 -8.481 0.867 584 HG12 VAL 83 2HG1 VAL 83 5.601 -8.226 1.053 585 HG13 VAL 83 3HG1 VAL 83 6.227 -9.545 0.012 586 HG21 VAL 83 3HG2 VAL 83 5.002 -7.198 -2.464 587 HG22 VAL 83 1HG2 VAL 83 4.913 -8.863 -1.861 588 HG23 VAL 83 2HG2 VAL 83 4.210 -7.534 -0.916 589 H GLU 84 H GLU 84 9.109 -5.710 -0.734 590 HA GLU 84 HA GLU 84 10.924 -5.392 0.553 591 HB2 GLU 84 1HB GLU 84 9.223 -3.631 1.540 592 HB3 GLU 84 2HB GLU 84 9.317 -4.619 2.973 593 HG2 GLU 84 1HG GLU 84 11.580 -3.229 1.501 594 HG3 GLU 84 2HG GLU 84 10.894 -2.743 3.048 595 H THR 85 H THR 85 8.528 -6.723 2.886 596 HA THR 85 HA THR 85 10.080 -9.185 3.312 597 HB THR 85 HB THR 85 9.308 -7.213 5.525 598 HG1 THR 85 1HG THR 85 11.297 -6.693 4.581 599 HG21 THR 85 3HG2 THR 85 8.893 -9.504 6.307 600 HG22 THR 85 1HG2 THR 85 10.366 -8.882 7.061 601 HG23 THR 85 2HG2 THR 85 10.480 -10.024 5.707 602 H LEU 86 H LEU 86 8.592 -10.738 3.093 603 HA LEU 86 HA LEU 86 5.701 -10.143 3.558 604 HB2 LEU 86 1HB LEU 86 6.597 -11.349 1.409 605 HB3 LEU 86 2HB LEU 86 6.842 -12.732 2.474 606 HG LEU 86 HG LEU 86 4.234 -12.192 3.048 607 HD11 LEU 86 1HD1 LEU 86 4.334 -10.133 1.512 608 HD12 LEU 86 2HD1 LEU 86 3.043 -11.278 1.165 609 HD13 LEU 86 3HD1 LEU 86 4.515 -11.229 0.161 610 HD21 LEU 86 3HD2 LEU 86 5.190 -13.555 0.494 611 HD22 LEU 86 1HD2 LEU 86 3.575 -13.740 1.222 612 HD23 LEU 86 2HD2 LEU 86 5.009 -14.307 2.102 613 H ARG 87 H ARG 87 4.571 -11.730 5.016 614 HA ARG 87 HA ARG 87 6.405 -13.332 6.741 615 HB2 ARG 87 1HB ARG 87 5.876 -11.605 8.172 616 HB3 ARG 87 2HB ARG 87 4.295 -11.333 7.469 617 HG2 ARG 87 1HG ARG 87 3.415 -13.369 8.565 618 HG3 ARG 87 2HG ARG 87 5.011 -13.625 9.328 619 HD2 ARG 87 1HD ARG 87 4.868 -11.468 10.410 620 HD3 ARG 87 2HD ARG 87 3.396 -11.041 9.551 621 HE ARG 87 HE ARG 87 2.508 -13.232 10.748 622 HH11 ARG 87 1HH1 ARG 87 4.519 -10.670 12.225 623 HH12 ARG 87 2HH1 ARG 87 3.946 -11.004 13.828 624 HH21 ARG 87 1HH2 ARG 87 1.456 -13.285 12.678 625 HH22 ARG 87 2HH2 ARG 87 1.949 -12.301 14.036 626 H ASP 88 H ASP 88 2.960 -12.896 5.698 627 HA ASP 88 HA ASP 88 2.852 -15.722 4.973 628 HB2 ASP 88 1HB ASP 88 1.088 -14.531 7.165 629 HB3 ASP 88 2HB ASP 88 0.615 -15.947 6.240 630 H ASP 89 H ASP 89 0.493 -16.045 4.067 631 HA ASP 89 HA ASP 89 0.033 -14.047 2.067 632 HB2 ASP 89 1HB ASP 89 -1.492 -16.557 2.824 633 HB3 ASP 89 2HB ASP 89 -1.821 -15.574 1.419 634 H ARG 90 H ARG 90 -0.432 -13.262 4.961 635 HA ARG 90 HA ARG 90 -2.709 -11.605 4.298 636 HB2 ARG 90 1HB ARG 90 -3.848 -11.881 6.487 637 HB3 ARG 90 2HB ARG 90 -3.986 -13.290 5.409 638 HG2 ARG 90 1HG ARG 90 -2.311 -14.541 6.596 639 HG3 ARG 90 2HG ARG 90 -1.995 -13.179 7.709 640 HD2 ARG 90 1HD ARG 90 -4.254 -13.307 8.597 641 HD3 ARG 90 2HD ARG 90 -4.712 -14.474 7.336 642 HE ARG 90 HE ARG 90 -2.519 -15.536 8.835 643 HH11 ARG 90 1HH1 ARG 90 -5.948 -14.772 9.317 644 HH12 ARG 90 2HH1 ARG 90 -6.277 -16.161 10.295 645 HH21 ARG 90 1HH2 ARG 90 -2.905 -17.347 10.169 646 HH22 ARG 90 2HH2 ARG 90 -4.516 -17.684 10.743 647 H GLN 91 H GLN 91 0.432 -11.850 5.711 648 HA GLN 91 HA GLN 91 0.089 -9.148 6.767 649 HB2 GLN 91 1HB GLN 91 1.358 -11.450 8.285 650 HB3 GLN 91 2HB GLN 91 1.573 -9.750 8.652 651 HG2 GLN 91 1HG GLN 91 -0.938 -9.549 8.929 652 HG3 GLN 91 2HG GLN 91 -1.037 -11.303 8.801 653 HE21 GLN 91 1HE2 GLN 91 0.262 -8.607 10.844 654 HE22 GLN 91 2HE2 GLN 91 0.288 -9.606 12.290 655 H PHE 92 H PHE 92 1.668 -7.981 6.051 656 HA PHE 92 HA PHE 92 4.341 -8.870 5.494 657 HB2 PHE 92 1HB PHE 92 4.246 -8.394 3.022 658 HB3 PHE 92 2HB PHE 92 3.478 -9.863 3.563 659 HD1 PHE 92 1HD PHE 92 2.773 -6.445 2.266 660 HD2 PHE 92 2HD PHE 92 1.166 -10.332 3.175 661 HE1 PHE 92 1HE PHE 92 0.654 -5.790 1.186 662 HE2 PHE 92 2HE PHE 92 -0.997 -9.638 2.146 663 HZ PHE 92 HZ PHE 92 -1.261 -7.398 1.156 664 H ALA 93 H ALA 93 5.640 -7.165 4.653 665 HA ALA 93 HA ALA 93 4.894 -4.531 5.678 666 HB1 ALA 93 1HB ALA 93 7.188 -5.668 6.001 667 HB2 ALA 93 2HB ALA 93 7.462 -5.377 4.289 668 HB3 ALA 93 3HB ALA 93 7.204 -3.998 5.386 669 H ILE 94 H ILE 94 5.617 -2.645 4.145 670 HA ILE 94 HA ILE 94 5.944 -3.365 1.377 671 HB ILE 94 HB ILE 94 4.598 -1.314 0.695 672 HG12 ILE 94 1HG1 ILE 94 3.190 -1.717 3.372 673 HG13 ILE 94 2HG1 ILE 94 4.190 -0.331 2.920 674 HG21 ILE 94 1HG2 ILE 94 2.948 -3.657 1.703 675 HG22 ILE 94 2HG2 ILE 94 2.611 -2.624 0.305 676 HG23 ILE 94 3HG2 ILE 94 4.013 -3.710 0.289 677 HD11 ILE 94 3HD1 ILE 94 1.522 -1.115 1.692 678 HD12 ILE 94 1HD1 ILE 94 1.885 0.299 2.692 679 HD13 ILE 94 2HD1 ILE 94 2.576 0.169 1.063 680 H ARG 95 H ARG 95 7.458 -2.115 0.451 681 HA ARG 95 HA ARG 95 8.638 0.196 1.930 682 HB2 ARG 95 1HB ARG 95 10.202 -1.608 1.049 683 HB3 ARG 95 2HB ARG 95 9.684 -1.215 -0.574 684 HG2 ARG 95 1HG ARG 95 11.667 0.012 -0.323 685 HG3 ARG 95 2HG ARG 95 10.432 1.218 -0.012 686 HD2 ARG 95 1HD ARG 95 12.039 1.552 1.703 687 HD3 ARG 95 2HD ARG 95 10.731 0.690 2.499 688 HE ARG 95 HE ARG 95 12.125 -1.079 2.888 689 HH11 ARG 95 1HH1 ARG 95 13.733 1.018 0.440 690 HH12 ARG 95 2HH1 ARG 95 15.133 -0.033 0.411 691 HH21 ARG 95 1HH2 ARG 95 14.070 -2.427 2.667 692 HH22 ARG 95 2HH2 ARG 95 15.349 -1.782 1.714 693 H LEU 96 H LEU 96 7.627 1.983 1.413 694 HA LEU 96 HA LEU 96 6.330 2.490 -1.215 695 HB2 LEU 96 1HB LEU 96 6.780 3.980 1.378 696 HB3 LEU 96 2HB LEU 96 6.565 4.916 -0.100 697 HG LEU 96 HG LEU 96 4.424 4.184 -0.520 698 HD11 LEU 96 1HD1 LEU 96 4.475 1.826 -0.115 699 HD12 LEU 96 2HD1 LEU 96 3.160 2.544 0.802 700 HD13 LEU 96 3HD1 LEU 96 4.666 2.069 1.645 701 HD21 LEU 96 3HD2 LEU 96 4.876 4.686 2.448 702 HD22 LEU 96 1HD2 LEU 96 3.267 4.709 1.760 703 HD23 LEU 96 2HD2 LEU 96 4.487 5.855 1.166 704 H VAL 97 H VAL 97 7.336 3.545 -2.880 705 HA VAL 97 HA VAL 97 10.108 4.533 -2.410 706 HB VAL 97 HB VAL 97 10.749 3.548 -4.547 707 HG11 VAL 97 1HG1 VAL 97 11.046 1.313 -3.789 708 HG12 VAL 97 2HG1 VAL 97 11.144 2.393 -2.385 709 HG13 VAL 97 3HG1 VAL 97 9.676 1.427 -2.660 710 HG21 VAL 97 3HG2 VAL 97 9.452 1.691 -5.567 711 HG22 VAL 97 1HG2 VAL 97 8.077 2.099 -4.537 712 HG23 VAL 97 2HG2 VAL 97 8.644 3.257 -5.750 713 H GLY 98 H GLY 98 10.633 6.422 -3.301 714 HA2 GLY 98 1HA GLY 98 10.775 7.886 -5.088 715 HA3 GLY 98 2HA GLY 98 9.232 7.358 -5.727 716 H ARG 99 H ARG 99 7.337 8.088 -4.744 717 HA ARG 99 HA ARG 99 7.340 10.323 -2.852 718 HB2 ARG 99 1HB ARG 99 7.742 10.920 -5.586 719 HB3 ARG 99 2HB ARG 99 6.029 11.212 -5.367 720 HG2 ARG 99 1HG ARG 99 8.298 12.410 -3.777 721 HG3 ARG 99 2HG ARG 99 7.340 13.189 -5.053 722 HD2 ARG 99 1HD ARG 99 5.350 12.812 -3.485 723 HD3 ARG 99 2HD ARG 99 6.556 12.605 -2.199 724 HE ARG 99 HE ARG 99 5.834 15.034 -3.718 725 HH11 ARG 99 1HH1 ARG 99 8.275 13.730 -1.349 726 HH12 ARG 99 2HH1 ARG 99 8.844 15.312 -1.023 727 HH21 ARG 99 1HH2 ARG 99 6.712 16.968 -3.296 728 HH22 ARG 99 2HH2 ARG 99 8.083 17.170 -2.236 729 H VAL 100 H VAL 100 5.212 10.757 -2.099 730 HA VAL 100 HA VAL 100 2.969 9.488 -3.534 731 HB VAL 100 HB VAL 100 2.986 10.588 -0.681 732 HG11 VAL 100 1HG1 VAL 100 0.858 8.961 -2.146 733 HG12 VAL 100 2HG1 VAL 100 0.764 9.525 -0.463 734 HG13 VAL 100 3HG1 VAL 100 0.769 10.697 -1.774 735 HG21 VAL 100 3HG2 VAL 100 2.727 7.637 -1.198 736 HG22 VAL 100 1HG2 VAL 100 4.290 8.383 -0.902 737 HG23 VAL 100 2HG2 VAL 100 3.009 8.508 0.311 738 H ARG 101 H ARG 101 2.078 11.105 -4.892 739 HA ARG 101 HA ARG 101 2.111 13.914 -3.879 740 HB2 ARG 101 1HB ARG 101 3.095 14.789 -5.855 741 HB3 ARG 101 2HB ARG 101 4.137 13.616 -5.110 742 HG2 ARG 101 1HG ARG 101 4.492 13.000 -7.230 743 HG3 ARG 101 2HG ARG 101 3.145 11.949 -6.935 744 HD2 ARG 101 1HD ARG 101 1.862 13.007 -8.518 745 HD3 ARG 101 2HD ARG 101 2.291 14.608 -7.921 746 HE ARG 101 HE ARG 101 4.547 14.145 -9.107 747 HH11 ARG 101 1HH1 ARG 101 1.369 13.226 -10.367 748 HH12 ARG 101 2HH1 ARG 101 1.734 13.562 -12.016 749 HH21 ARG 101 1HH2 ARG 101 5.061 14.657 -11.235 750 HH22 ARG 101 2HH2 ARG 101 3.896 14.524 -12.516 751 H GLU 102 H GLU 102 -0.063 12.284 -3.921 752 HA GLU 102 HA GLU 102 -2.206 11.995 -4.625 753 HB2 GLU 102 1HB GLU 102 -3.492 14.086 -4.652 754 HB3 GLU 102 2HB GLU 102 -2.465 13.810 -3.250 755 HG2 GLU 102 1HG GLU 102 -0.824 15.420 -4.047 756 HG3 GLU 102 2HG GLU 102 -1.744 15.689 -5.531 757 H LEU 103 H LEU 103 -2.528 10.840 -6.457 758 HA LEU 103 HA LEU 103 -1.875 12.212 -9.027 759 HB2 LEU 103 1HB LEU 103 -1.974 9.290 -9.126 760 HB3 LEU 103 2HB LEU 103 -0.821 10.435 -9.806 761 HG LEU 103 HG LEU 103 -0.800 9.416 -6.954 762 HD11 LEU 103 1HD1 LEU 103 1.078 8.680 -9.246 763 HD12 LEU 103 2HD1 LEU 103 -0.303 7.698 -8.794 764 HD13 LEU 103 3HD1 LEU 103 1.007 7.968 -7.622 765 HD21 LEU 103 3HD2 LEU 103 1.409 10.341 -6.769 766 HD22 LEU 103 1HD2 LEU 103 0.330 11.655 -7.302 767 HD23 LEU 103 2HD2 LEU 103 1.398 10.857 -8.467 768 H GLN 104 H GLN 104 -4.673 11.391 -7.467 769 HA GLN 104 HA GLN 104 -6.167 11.719 -9.912 770 HB2 GLN 104 1HB GLN 104 -6.699 9.429 -7.977 771 HB3 GLN 104 2HB GLN 104 -7.994 10.144 -8.886 772 HG2 GLN 104 1HG GLN 104 -5.601 9.069 -10.388 773 HG3 GLN 104 2HG GLN 104 -6.740 7.940 -9.663 774 HE21 GLN 104 1HE2 GLN 104 -9.222 8.487 -10.135 775 HE22 GLN 104 2HE2 GLN 104 -9.527 9.039 -11.761 776 H ARG 105 H ARG 105 -8.358 12.646 -9.223 777 HA ARG 105 HA ARG 105 -8.209 13.847 -6.498 778 HB2 ARG 105 1HB ARG 105 -8.871 15.146 -9.134 779 HB3 ARG 105 2HB ARG 105 -9.383 15.838 -7.587 780 HG2 ARG 105 1HG ARG 105 -7.282 16.425 -6.919 781 HG3 ARG 105 2HG ARG 105 -6.513 15.061 -7.709 782 HD2 ARG 105 1HD ARG 105 -5.704 16.851 -8.881 783 HD3 ARG 105 2HD ARG 105 -6.946 16.184 -9.945 784 HE ARG 105 HE ARG 105 -8.015 18.296 -8.310 785 HH11 ARG 105 1HH1 ARG 105 -5.830 17.730 -11.071 786 HH12 ARG 105 2HH1 ARG 105 -6.097 19.269 -11.794 787 HH21 ARG 105 1HH2 ARG 105 -8.183 20.500 -9.182 788 HH22 ARG 105 2HH2 ARG 105 -7.229 20.895 -10.569 789 H ARG 106 H ARG 106 -10.355 14.559 -5.660 790 HA ARG 106 HA ARG 106 -12.297 12.371 -6.160 791 HB2 ARG 106 1HB ARG 106 -11.094 12.930 -3.864 792 HB3 ARG 106 2HB ARG 106 -12.271 14.234 -3.756 793 HG2 ARG 106 1HG ARG 106 -14.109 12.598 -3.876 794 HG3 ARG 106 2HG ARG 106 -12.959 11.287 -4.178 795 HD2 ARG 106 1HD ARG 106 -11.889 11.691 -1.988 796 HD3 ARG 106 2HD ARG 106 -13.044 12.976 -1.630 797 HE ARG 106 HE ARG 106 -13.604 10.065 -1.979 798 HH11 ARG 106 1HH1 ARG 106 -14.876 13.175 -0.835 799 HH12 ARG 106 2HH1 ARG 106 -16.068 12.514 0.205 800 HH21 ARG 106 1HH2 ARG 106 -15.147 9.153 -0.620 801 HH22 ARG 106 2HH2 ARG 106 -16.449 10.126 -0.006 802 H GLU 107 H GLU 107 -14.338 12.955 -6.971 803 HA GLU 107 HA GLU 107 -15.088 15.859 -6.976 804 HB2 GLU 107 1HB GLU 107 -14.160 14.960 -9.184 805 HB3 GLU 107 2HB GLU 107 -15.565 13.912 -9.263 806 HG2 GLU 107 1HG GLU 107 -16.844 16.261 -8.759 807 HG3 GLU 107 2HG GLU 107 -15.340 16.904 -9.411 808 H TYR 108 H TYR 108 -16.154 14.883 -4.932 809 HA TYR 108 HA TYR 108 -17.992 14.226 -3.800 810 HB2 TYR 108 1HB TYR 108 -19.409 15.396 -6.184 811 HB3 TYR 108 2HB TYR 108 -20.050 15.213 -4.555 812 HD1 TYR 108 1HD TYR 108 -18.944 16.457 -2.624 813 HD2 TYR 108 2HD TYR 108 -18.041 17.293 -6.754 814 HE1 TYR 108 1HE TYR 108 -18.040 18.671 -1.966 815 HE2 TYR 108 2HE TYR 108 -17.117 19.499 -6.110 816 HH TYR 108 HH TYR 108 -17.039 20.634 -2.698 817 H PHE 109 H PHE 109 -17.131 12.269 -6.125 818 HA PHE 109 HA PHE 109 -19.325 10.297 -6.031 819 HB2 PHE 109 1HB PHE 109 -16.387 10.090 -6.878 820 HB3 PHE 109 2HB PHE 109 -17.552 8.783 -6.925 821 HD1 PHE 109 2HD PHE 109 -19.261 8.657 -8.674 822 HD2 PHE 109 1HD PHE 109 -16.415 11.879 -8.546 823 HE1 PHE 109 2HE PHE 109 -19.890 9.315 -10.997 824 HE2 PHE 109 1HE PHE 109 -17.043 12.536 -10.864 825 HZ PHE 109 HZ PHE 109 -18.773 11.231 -12.095 Start of MODEL 20 1 H1 GLY 1 H GLY 1 10.688 19.022 2.615 2 HA2 GLY 1 1HA GLY 1 11.285 19.133 0.221 3 HA3 GLY 1 2HA GLY 1 10.637 20.794 0.235 4 H MET 2 H MET 2 12.946 18.670 1.958 5 HA MET 2 HA MET 2 15.041 20.712 1.789 6 HB2 MET 2 1HB MET 2 14.575 19.146 4.361 7 HB3 MET 2 2HB MET 2 15.785 20.378 4.026 8 HG2 MET 2 1HG MET 2 14.266 21.557 5.290 9 HG3 MET 2 2HG MET 2 13.740 21.965 3.665 10 HE1 MET 2 3HE MET 2 11.589 19.469 6.872 11 HE2 MET 2 1HE MET 2 13.261 19.122 6.380 12 HE3 MET 2 2HE MET 2 12.855 20.691 7.103 13 H SER 3 H SER 3 15.118 19.225 -0.076 14 HA SER 3 HA SER 3 16.222 17.659 -1.256 15 HB2 SER 3 1HB SER 3 17.840 19.159 0.221 16 HB3 SER 3 2HB SER 3 18.289 17.615 0.942 17 HG SER 3 HG SER 3 19.173 17.003 -0.894 18 H ALA 4 H ALA 4 14.185 16.309 -0.021 19 HA ALA 4 HA ALA 4 15.396 13.732 0.854 20 HB1 ALA 4 1HB ALA 4 14.906 14.911 2.916 21 HB2 ALA 4 2HB ALA 4 13.229 15.210 2.395 22 HB3 ALA 4 3HB ALA 4 13.787 13.553 2.706 23 H ASP 5 H ASP 5 14.848 12.784 -1.065 24 HA ASP 5 HA ASP 5 12.195 12.806 -2.203 25 HB2 ASP 5 1HB ASP 5 14.812 11.716 -2.891 26 HB3 ASP 5 2HB ASP 5 13.580 10.475 -3.040 27 H GLY 6 H GLY 6 10.629 12.187 -0.800 28 HA2 GLY 6 1HA GLY 6 9.169 10.368 -0.197 29 HA3 GLY 6 2HA GLY 6 10.545 9.286 -0.285 30 H SER 7 H SER 7 9.160 11.944 1.756 31 HA SER 7 HA SER 7 9.418 10.007 3.992 32 HB2 SER 7 1HB SER 7 10.083 12.967 4.167 33 HB3 SER 7 2HB SER 7 9.943 11.849 5.541 34 HG SER 7 HG SER 7 11.556 10.837 3.614 35 H GLU 8 H GLU 8 7.470 11.593 1.969 36 HA GLU 8 HA GLU 8 5.465 12.771 3.602 37 HB2 GLU 8 1HB GLU 8 5.915 12.047 0.682 38 HB3 GLU 8 2HB GLU 8 4.329 12.602 1.209 39 HG2 GLU 8 1HG GLU 8 5.568 14.493 0.425 40 HG3 GLU 8 2HG GLU 8 5.235 14.608 2.149 41 H TYR 9 H TYR 9 6.036 9.463 3.209 42 HA TYR 9 HA TYR 9 3.574 8.501 2.178 43 HB2 TYR 9 1HB TYR 9 5.364 7.027 4.156 44 HB3 TYR 9 2HB TYR 9 4.374 6.342 2.890 45 HD1 TYR 9 2HD TYR 9 5.018 7.176 0.406 46 HD2 TYR 9 1HD TYR 9 7.669 7.110 3.792 47 HE1 TYR 9 2HE TYR 9 6.961 7.142 -1.134 48 HE2 TYR 9 1HE TYR 9 9.602 6.989 2.297 49 HH TYR 9 HH TYR 9 10.336 6.841 0.029 50 H GLY 10 H GLY 10 4.686 8.986 5.548 51 HA2 GLY 10 1HA GLY 10 2.238 8.007 6.700 52 HA3 GLY 10 2HA GLY 10 3.578 8.801 7.526 53 H ARG 11 H ARG 11 2.700 10.980 5.077 54 HA ARG 11 HA ARG 11 0.950 12.512 6.855 55 HB2 ARG 11 1HB ARG 11 1.568 12.998 3.913 56 HB3 ARG 11 2HB ARG 11 0.873 14.115 5.073 57 HG2 ARG 11 1HG ARG 11 3.098 13.802 6.382 58 HG3 ARG 11 2HG ARG 11 3.684 13.097 4.865 59 HD2 ARG 11 1HD ARG 11 3.230 15.172 3.664 60 HD3 ARG 11 2HD ARG 11 2.525 15.864 5.148 61 HE ARG 11 HE ARG 11 5.255 14.838 5.436 62 HH11 ARG 11 1HH1 ARG 11 3.282 17.717 4.813 63 HH12 ARG 11 2HH1 ARG 11 4.245 18.773 5.807 64 HH21 ARG 11 1HH2 ARG 11 6.857 16.327 6.163 65 HH22 ARG 11 2HH2 ARG 11 6.434 17.951 6.500 66 H TYR 12 H TYR 12 0.819 10.138 4.278 67 HA TYR 12 HA TYR 12 -2.024 10.726 3.687 68 HB2 TYR 12 1HB TYR 12 -0.038 8.933 2.256 69 HB3 TYR 12 2HB TYR 12 -1.566 9.494 1.638 70 HD1 TYR 12 1HD TYR 12 -0.769 12.569 2.715 71 HD2 TYR 12 2HD TYR 12 0.963 9.516 0.303 72 HE1 TYR 12 1HE TYR 12 0.492 14.279 1.502 73 HE2 TYR 12 2HE TYR 12 2.118 11.176 -1.070 74 HH TYR 12 HH TYR 12 1.168 14.472 -0.973 75 H PHE 13 H PHE 13 0.240 8.098 4.586 76 HA PHE 13 HA PHE 13 -2.005 6.206 4.917 77 HB2 PHE 13 1HB PHE 13 0.983 5.753 5.084 78 HB3 PHE 13 2HB PHE 13 -0.262 4.521 5.009 79 HD1 PHE 13 2HD PHE 13 -1.954 4.963 2.841 80 HD2 PHE 13 1HD PHE 13 2.218 5.942 3.090 81 HE1 PHE 13 2HE PHE 13 -1.780 4.867 0.365 82 HE2 PHE 13 1HE PHE 13 2.377 5.923 0.609 83 HZ PHE 13 HZ PHE 13 0.343 5.391 -0.753 84 H GLU 14 H GLU 14 -2.829 6.172 6.861 85 HA GLU 14 HA GLU 14 -1.252 7.011 9.238 86 HB2 GLU 14 1HB GLU 14 -3.434 8.067 8.854 87 HB3 GLU 14 2HB GLU 14 -4.216 6.465 8.958 88 HG2 GLU 14 1HG GLU 14 -3.539 6.216 11.242 89 HG3 GLU 14 2HG GLU 14 -2.516 7.657 11.166 90 H GLN 15 H GLN 15 -1.284 5.631 11.047 91 HA GLN 15 HA GLN 15 -0.360 2.985 10.658 92 HB2 GLN 15 1HB GLN 15 0.109 4.509 12.563 93 HB3 GLN 15 2HB GLN 15 -1.574 4.358 13.087 94 HG2 GLN 15 1HG GLN 15 -1.183 1.932 13.558 95 HG3 GLN 15 2HG GLN 15 0.506 2.141 13.075 96 HE21 GLN 15 1HE2 GLN 15 -1.474 1.980 15.802 97 HE22 GLN 15 2HE2 GLN 15 -0.593 3.021 16.870 98 H LEU 16 H LEU 16 -3.632 4.024 11.003 99 HA LEU 16 HA LEU 16 -4.570 1.205 11.193 100 HB2 LEU 16 1HB LEU 16 -5.814 3.714 12.439 101 HB3 LEU 16 2HB LEU 16 -6.393 2.064 12.645 102 HG LEU 16 HG LEU 16 -3.722 3.134 13.674 103 HD11 LEU 16 1HD1 LEU 16 -6.294 2.504 15.158 104 HD12 LEU 16 2HD1 LEU 16 -5.564 4.107 14.908 105 HD13 LEU 16 3HD1 LEU 16 -4.739 2.905 15.903 106 HD21 LEU 16 3HD2 LEU 16 -5.081 0.446 14.127 107 HD22 LEU 16 1HD2 LEU 16 -3.565 1.009 14.885 108 HD23 LEU 16 2HD2 LEU 16 -3.630 0.738 13.146 109 H GLN 17 H GLN 17 -4.298 3.419 8.939 110 HA GLN 17 HA GLN 17 -7.081 3.662 7.950 111 HB2 GLN 17 1HB GLN 17 -4.356 4.633 7.182 112 HB3 GLN 17 2HB GLN 17 -5.315 4.135 5.814 113 HG2 GLN 17 1HG GLN 17 -7.070 5.745 6.391 114 HG3 GLN 17 2HG GLN 17 -6.235 6.149 7.888 115 HE21 GLN 17 1HE2 GLN 17 -4.892 5.716 4.506 116 HE22 GLN 17 2HE2 GLN 17 -4.199 7.348 4.558 117 H LYS 18 H LYS 18 -7.363 2.906 5.577 118 HA LYS 18 HA LYS 18 -6.238 0.163 5.231 119 HB2 LYS 18 1HB LYS 18 -8.951 1.333 4.523 120 HB3 LYS 18 2HB LYS 18 -8.329 -0.131 3.765 121 HG2 LYS 18 1HG LYS 18 -8.414 -1.365 5.743 122 HG3 LYS 18 2HG LYS 18 -8.347 0.049 6.780 123 HD2 LYS 18 1HD LYS 18 -10.570 -0.703 6.951 124 HD3 LYS 18 2HD LYS 18 -10.643 0.715 5.916 125 HE2 LYS 18 1HE LYS 18 -10.647 -0.760 3.884 126 HE3 LYS 18 2HE LYS 18 -10.443 -2.176 4.918 127 HZ1 LYS 18 3HZ LYS 18 -12.846 -0.601 4.475 128 HZ2 LYS 18 1HZ LYS 18 -12.668 -1.347 5.926 129 HZ3 LYS 18 2HZ LYS 18 -12.620 -2.226 4.511 130 H VAL 19 H VAL 19 -5.487 -0.311 3.164 131 HA VAL 19 HA VAL 19 -5.373 1.925 1.199 132 HB VAL 19 HB VAL 19 -3.034 1.201 0.676 133 HG11 VAL 19 1HG1 VAL 19 -3.464 3.300 1.739 134 HG12 VAL 19 2HG1 VAL 19 -3.610 2.539 3.335 135 HG13 VAL 19 3HG1 VAL 19 -2.039 2.560 2.494 136 HG21 VAL 19 3HG2 VAL 19 -1.669 0.144 2.395 137 HG22 VAL 19 1HG2 VAL 19 -3.068 -0.025 3.475 138 HG23 VAL 19 2HG2 VAL 19 -2.990 -0.948 1.960 139 H ASN 20 H ASN 20 -5.243 1.326 -0.918 140 HA ASN 20 HA ASN 20 -6.362 -1.202 -1.662 141 HB2 ASN 20 1HB ASN 20 -6.436 1.130 -2.913 142 HB3 ASN 20 2HB ASN 20 -4.809 0.735 -3.441 143 HD21 ASN 20 1HD2 ASN 20 -7.739 -1.402 -3.071 144 HD22 ASN 20 2HD2 ASN 20 -7.554 -2.082 -4.667 145 H LEU 21 H LEU 21 -5.238 -2.874 -3.029 146 HA LEU 21 HA LEU 21 -2.493 -3.232 -1.907 147 HB2 LEU 21 1HB LEU 21 -4.834 -5.159 -2.014 148 HB3 LEU 21 2HB LEU 21 -3.226 -5.588 -1.473 149 HG LEU 21 HG LEU 21 -5.139 -3.742 -0.054 150 HD11 LEU 21 1HD1 LEU 21 -3.738 -6.371 0.654 151 HD12 LEU 21 2HD1 LEU 21 -5.421 -6.228 0.113 152 HD13 LEU 21 3HD1 LEU 21 -4.917 -5.510 1.641 153 HD21 LEU 21 3HD2 LEU 21 -2.235 -4.383 0.659 154 HD22 LEU 21 1HD2 LEU 21 -3.409 -3.552 1.707 155 HD23 LEU 21 2HD2 LEU 21 -2.874 -2.778 0.229 156 H THR 22 H THR 22 -3.153 -2.622 -4.782 157 HA THR 22 HA THR 22 -3.533 -4.764 -6.346 158 HB THR 22 HB THR 22 -1.710 -2.415 -7.034 159 HG1 THR 22 1HG THR 22 -4.507 -2.312 -7.263 160 HG21 THR 22 3HG2 THR 22 -3.708 -3.878 -8.781 161 HG22 THR 22 1HG2 THR 22 -1.956 -4.029 -8.892 162 HG23 THR 22 2HG2 THR 22 -2.727 -2.479 -9.269 163 H VAL 23 H VAL 23 -2.286 -6.715 -6.097 164 HA VAL 23 HA VAL 23 0.687 -6.569 -6.151 165 HB VAL 23 HB VAL 23 -1.055 -9.065 -6.032 166 HG11 VAL 23 1HG1 VAL 23 1.890 -8.626 -5.366 167 HG12 VAL 23 2HG1 VAL 23 1.006 -10.153 -5.182 168 HG13 VAL 23 3HG1 VAL 23 1.268 -9.495 -6.783 169 HG21 VAL 23 3HG2 VAL 23 0.329 -7.640 -3.734 170 HG22 VAL 23 1HG2 VAL 23 -1.426 -7.748 -3.981 171 HG23 VAL 23 2HG2 VAL 23 -0.453 -9.199 -3.632 172 H ARG 24 H ARG 24 1.887 -7.065 -7.958 173 HA ARG 24 HA ARG 24 0.537 -7.711 -10.496 174 HB2 ARG 24 1HB ARG 24 2.350 -6.030 -10.442 175 HB3 ARG 24 2HB ARG 24 3.448 -7.215 -9.703 176 HG2 ARG 24 1HG ARG 24 3.235 -8.662 -11.684 177 HG3 ARG 24 2HG ARG 24 2.137 -7.488 -12.444 178 HD2 ARG 24 1HD ARG 24 3.899 -5.856 -12.608 179 HD3 ARG 24 2HD ARG 24 4.950 -6.786 -11.551 180 HE ARG 24 HE ARG 24 4.193 -7.452 -14.358 181 HH11 ARG 24 1HH1 ARG 24 6.330 -8.185 -11.564 182 HH12 ARG 24 2HH1 ARG 24 6.910 -9.654 -12.262 183 HH21 ARG 24 1HH2 ARG 24 5.280 -9.014 -15.376 184 HH22 ARG 24 2HH2 ARG 24 6.554 -9.965 -14.674 185 H LEU 25 H LEU 25 0.311 -9.843 -11.092 186 HA LEU 25 HA LEU 25 1.937 -11.938 -9.676 187 HB2 LEU 25 1HB LEU 25 -0.819 -12.224 -10.923 188 HB3 LEU 25 2HB LEU 25 0.120 -13.502 -10.181 189 HG LEU 25 HG LEU 25 -1.061 -11.094 -8.747 190 HD11 LEU 25 1HD1 LEU 25 -2.647 -12.892 -9.386 191 HD12 LEU 25 2HD1 LEU 25 -2.438 -12.777 -7.622 192 HD13 LEU 25 3HD1 LEU 25 -1.641 -14.077 -8.531 193 HD21 LEU 25 3HD2 LEU 25 1.072 -11.613 -7.662 194 HD22 LEU 25 1HD2 LEU 25 0.671 -13.334 -7.634 195 HD23 LEU 25 2HD2 LEU 25 -0.264 -12.168 -6.665 196 H GLY 26 H GLY 26 2.262 -10.302 -12.306 197 HA2 GLY 26 1HA GLY 26 3.853 -11.427 -13.992 198 HA3 GLY 26 2HA GLY 26 2.464 -12.522 -14.229 199 H ASP 27 H ASP 27 1.857 -11.781 -16.313 200 HA ASP 27 HA ASP 27 1.476 -8.904 -16.803 201 HB2 ASP 27 1HB ASP 27 1.323 -11.460 -18.429 202 HB3 ASP 27 2HB ASP 27 0.579 -10.000 -19.022 203 H THR 28 H THR 28 -0.739 -11.513 -17.741 204 HA THR 28 HA THR 28 -3.035 -9.842 -17.292 205 HB THR 28 HB THR 28 -4.038 -11.934 -18.527 206 HG1 THR 28 1HG THR 28 -2.049 -12.947 -19.635 207 HG21 THR 28 3HG2 THR 28 -1.805 -10.307 -19.810 208 HG22 THR 28 1HG2 THR 28 -3.511 -9.840 -19.672 209 HG23 THR 28 2HG2 THR 28 -3.062 -11.231 -20.668 210 H GLY 29 H GLY 29 -2.067 -10.451 -14.757 211 HA2 GLY 29 1HA GLY 29 -3.982 -12.556 -13.755 212 HA3 GLY 29 2HA GLY 29 -2.316 -12.430 -13.188 213 H SER 30 H SER 30 -1.710 -10.691 -11.975 214 HA SER 30 HA SER 30 -1.787 -9.541 -10.141 215 HB2 SER 30 1HB SER 30 -3.754 -7.558 -10.667 216 HB3 SER 30 2HB SER 30 -2.016 -7.510 -10.821 217 HG SER 30 HG SER 30 -2.874 -6.961 -12.735 218 H PHE 31 H PHE 31 -3.082 -8.496 -8.261 219 HA PHE 31 HA PHE 31 -5.601 -9.864 -7.612 220 HB2 PHE 31 1HB PHE 31 -4.072 -11.342 -6.503 221 HB3 PHE 31 2HB PHE 31 -3.033 -10.019 -6.023 222 HD1 PHE 31 2HD PHE 31 -6.240 -11.752 -5.249 223 HD2 PHE 31 1HD PHE 31 -3.472 -8.667 -4.058 224 HE1 PHE 31 2HE PHE 31 -7.450 -11.488 -3.099 225 HE2 PHE 31 1HE PHE 31 -4.678 -8.442 -1.888 226 HZ PHE 31 HZ PHE 31 -6.664 -9.836 -1.434 227 H ASP 32 H ASP 32 -6.915 -8.551 -6.227 228 HA ASP 32 HA ASP 32 -5.758 -6.039 -5.190 229 HB2 ASP 32 1HB ASP 32 -6.903 -5.395 -7.235 230 HB3 ASP 32 2HB ASP 32 -8.356 -6.295 -6.763 231 H GLY 33 H GLY 33 -6.459 -5.673 -3.154 232 HA2 GLY 33 1HA GLY 33 -8.827 -7.027 -2.029 233 HA3 GLY 33 2HA GLY 33 -7.284 -7.500 -1.316 234 H THR 34 H THR 34 -8.859 -6.388 0.542 235 HA THR 34 HA THR 34 -7.701 -3.681 0.869 236 HB THR 34 HB THR 34 -9.909 -4.583 2.663 237 HG1 THR 34 1HG THR 34 -10.779 -5.339 0.721 238 HG21 THR 34 3HG2 THR 34 -9.392 -2.069 1.017 239 HG22 THR 34 1HG2 THR 34 -8.906 -2.336 2.717 240 HG23 THR 34 2HG2 THR 34 -10.624 -2.270 2.285 241 H ALA 35 H ALA 35 -6.649 -3.266 2.922 242 HA ALA 35 HA ALA 35 -6.659 -5.329 4.968 243 HB1 ALA 35 1HB ALA 35 -4.066 -4.268 3.741 244 HB2 ALA 35 2HB ALA 35 -4.186 -5.130 5.275 245 HB3 ALA 35 3HB ALA 35 -4.587 -5.972 3.774 246 H ALA 36 H ALA 36 -6.247 -4.319 6.979 247 HA ALA 36 HA ALA 36 -6.234 -1.370 7.019 248 HB1 ALA 36 1HB ALA 36 -7.608 -2.730 8.644 249 HB2 ALA 36 2HB ALA 36 -6.100 -3.431 9.268 250 HB3 ALA 36 3HB ALA 36 -6.397 -1.687 9.440 251 H ILE 37 H ILE 37 -4.494 -0.299 7.932 252 HA ILE 37 HA ILE 37 -1.802 -1.455 7.774 253 HB ILE 37 HB ILE 37 -2.800 1.340 8.540 254 HG12 ILE 37 1HG1 ILE 37 -1.554 0.330 5.950 255 HG13 ILE 37 2HG1 ILE 37 -3.253 0.650 6.115 256 HG21 ILE 37 1HG2 ILE 37 0.046 0.481 7.820 257 HG22 ILE 37 2HG2 ILE 37 -0.513 2.111 8.311 258 HG23 ILE 37 3HG2 ILE 37 -0.521 0.819 9.461 259 HD11 ILE 37 3HD1 ILE 37 -2.068 2.445 4.933 260 HD12 ILE 37 1HD1 ILE 37 -2.940 2.996 6.363 261 HD13 ILE 37 2HD1 ILE 37 -1.166 2.833 6.391 262 H THR 38 H THR 38 -0.518 -1.479 9.662 263 HA THR 38 HA THR 38 -1.981 -1.627 12.236 264 HB THR 38 HB THR 38 -0.788 -3.773 12.691 265 HG1 THR 38 1HG THR 38 0.702 -4.493 11.401 266 HG21 THR 38 3HG2 THR 38 -2.080 -5.226 11.260 267 HG22 THR 38 1HG2 THR 38 -2.166 -4.025 9.973 268 HG23 THR 38 2HG2 THR 38 -3.055 -3.768 11.493 269 H SER 39 H SER 39 1.186 -1.355 10.634 270 HA SER 39 HA SER 39 2.164 0.278 12.907 271 HB2 SER 39 1HB SER 39 3.823 -1.864 11.539 272 HB3 SER 39 2HB SER 39 4.225 -0.931 12.988 273 HG SER 39 HG SER 39 2.541 -2.056 14.081 274 H LEU 40 H LEU 40 3.891 1.770 12.219 275 HA LEU 40 HA LEU 40 4.481 1.893 9.350 276 HB2 LEU 40 1HB LEU 40 2.352 3.415 10.454 277 HB3 LEU 40 2HB LEU 40 3.685 4.549 10.313 278 HG LEU 40 HG LEU 40 2.835 2.721 8.030 279 HD11 LEU 40 1HD1 LEU 40 0.907 4.080 8.711 280 HD12 LEU 40 2HD1 LEU 40 1.534 4.587 7.137 281 HD13 LEU 40 3HD1 LEU 40 1.904 5.545 8.586 282 HD21 LEU 40 3HD2 LEU 40 3.916 4.481 6.617 283 HD22 LEU 40 1HD2 LEU 40 5.065 3.734 7.722 284 HD23 LEU 40 2HD2 LEU 40 4.411 5.345 8.087 285 H LYS 41 H LYS 41 6.479 2.544 9.015 286 HA LYS 41 HA LYS 41 7.869 4.329 10.884 287 HB2 LYS 41 1HB LYS 41 8.381 1.882 11.428 288 HB3 LYS 41 2HB LYS 41 9.153 1.777 9.847 289 HG2 LYS 41 1HG LYS 41 10.631 3.758 10.604 290 HG3 LYS 41 2HG LYS 41 9.871 3.597 12.194 291 HD2 LYS 41 1HD LYS 41 11.961 2.433 12.286 292 HD3 LYS 41 2HD LYS 41 10.694 1.196 12.276 293 HE2 LYS 41 1HE LYS 41 11.057 0.752 9.921 294 HE3 LYS 41 2HE LYS 41 12.083 2.188 9.750 295 HZ1 LYS 41 3HZ LYS 41 12.756 -0.224 11.308 296 HZ2 LYS 41 1HZ LYS 41 13.723 1.128 11.121 297 HZ3 LYS 41 2HZ LYS 41 13.336 0.188 9.823 298 H GLY 42 H GLY 42 7.174 5.754 9.140 299 HA2 GLY 42 1HA GLY 42 7.436 6.966 7.237 300 HA3 GLY 42 2HA GLY 42 9.131 6.485 7.303 301 H SER 43 H SER 43 9.850 5.409 5.480 302 HA SER 43 HA SER 43 8.191 4.519 3.275 303 HB2 SER 43 1HB SER 43 10.231 3.625 2.406 304 HB3 SER 43 2HB SER 43 10.506 5.285 2.987 305 HG SER 43 HG SER 43 11.400 2.866 4.023 306 H LEU 44 H LEU 44 7.843 3.087 6.032 307 HA LEU 44 HA LEU 44 7.823 0.401 4.840 308 HB2 LEU 44 1HB LEU 44 10.005 0.928 6.251 309 HB3 LEU 44 2HB LEU 44 8.958 0.690 7.626 310 HG LEU 44 HG LEU 44 10.141 -1.240 5.727 311 HD11 LEU 44 1HD1 LEU 44 10.167 -2.689 7.681 312 HD12 LEU 44 2HD1 LEU 44 8.976 -1.665 8.511 313 HD13 LEU 44 3HD1 LEU 44 10.624 -1.065 8.207 314 HD21 LEU 44 3HD2 LEU 44 7.327 -1.859 6.493 315 HD22 LEU 44 1HD2 LEU 44 8.572 -3.003 5.949 316 HD23 LEU 44 2HD2 LEU 44 8.074 -1.732 4.856 317 H ALA 45 H ALA 45 5.816 -0.287 5.192 318 HA ALA 45 HA ALA 45 4.441 0.457 7.740 319 HB1 ALA 45 1HB ALA 45 3.498 1.854 5.890 320 HB2 ALA 45 2HB ALA 45 3.068 0.363 5.029 321 HB3 ALA 45 3HB ALA 45 2.322 0.727 6.600 322 H TRP 46 H TRP 46 2.648 -1.144 8.179 323 HA TRP 46 HA TRP 46 3.088 -3.791 6.926 324 HB2 TRP 46 1HB TRP 46 3.189 -3.191 9.879 325 HB3 TRP 46 2HB TRP 46 2.607 -4.733 9.294 326 HD1 TRP 46 HD TRP 46 5.828 -2.623 8.889 327 HE1 TRP 46 1HE TRP 46 7.827 -4.230 8.598 328 HE3 TRP 46 3HE TRP 46 3.321 -7.084 8.770 329 HZ2 TRP 46 2HZ TRP 46 8.291 -7.074 8.639 330 HZ3 TRP 46 3HZ TRP 46 4.543 -9.195 8.553 331 HH2 TRP 46 HH TRP 46 7.035 -9.232 8.510 332 H LEU 47 H LEU 47 1.337 -5.221 7.120 333 HA LEU 47 HA LEU 47 -1.334 -3.955 7.192 334 HB2 LEU 47 1HB LEU 47 0.073 -5.390 4.885 335 HB3 LEU 47 2HB LEU 47 -1.627 -4.949 4.874 336 HG LEU 47 HG LEU 47 0.611 -2.882 5.072 337 HD11 LEU 47 1HD1 LEU 47 0.267 -2.495 2.687 338 HD12 LEU 47 2HD1 LEU 47 -0.839 -3.891 2.609 339 HD13 LEU 47 3HD1 LEU 47 0.875 -4.128 3.020 340 HD21 LEU 47 3HD2 LEU 47 -2.317 -2.624 4.253 341 HD22 LEU 47 1HD2 LEU 47 -1.109 -1.321 4.334 342 HD23 LEU 47 2HD2 LEU 47 -1.637 -2.138 5.812 343 H GLU 48 H GLU 48 -2.986 -5.520 7.360 344 HA GLU 48 HA GLU 48 -2.427 -8.311 6.760 345 HB2 GLU 48 1HB GLU 48 -1.832 -8.454 9.095 346 HB3 GLU 48 2HB GLU 48 -3.183 -7.416 9.585 347 HG2 GLU 48 1HG GLU 48 -4.798 -9.146 8.973 348 HG3 GLU 48 2HG GLU 48 -3.521 -10.165 8.312 349 H LEU 49 H LEU 49 -3.901 -9.015 5.751 350 HA LEU 49 HA LEU 49 -5.964 -7.603 4.588 351 HB2 LEU 49 1HB LEU 49 -5.480 -10.561 4.918 352 HB3 LEU 49 2HB LEU 49 -6.728 -9.994 3.890 353 HG LEU 49 HG LEU 49 -4.515 -10.569 2.785 354 HD11 LEU 49 1HD1 LEU 49 -6.197 -9.210 1.530 355 HD12 LEU 49 2HD1 LEU 49 -4.566 -8.683 1.156 356 HD13 LEU 49 3HD1 LEU 49 -5.562 -7.746 2.293 357 HD21 LEU 49 3HD2 LEU 49 -3.435 -8.015 3.767 358 HD22 LEU 49 1HD2 LEU 49 -2.792 -9.194 2.599 359 HD23 LEU 49 2HD2 LEU 49 -3.042 -9.702 4.259 360 H PHE 50 H PHE 50 -8.249 -7.974 4.451 361 HA PHE 50 HA PHE 50 -9.370 -7.399 7.030 362 HB2 PHE 50 1HB PHE 50 -9.837 -6.617 4.328 363 HB3 PHE 50 2HB PHE 50 -11.318 -7.384 4.867 364 HD1 PHE 50 1HD PHE 50 -8.795 -4.789 5.724 365 HD2 PHE 50 2HD PHE 50 -12.805 -6.218 6.347 366 HE1 PHE 50 1HE PHE 50 -9.298 -2.797 7.112 367 HE2 PHE 50 2HE PHE 50 -13.333 -4.171 7.665 368 HZ PHE 50 HZ PHE 50 -11.563 -2.500 8.116 369 H GLY 51 H GLY 51 -10.893 -9.542 4.517 370 HA2 GLY 51 1HA GLY 51 -10.821 -11.973 5.887 371 HA3 GLY 51 2HA GLY 51 -12.224 -11.114 6.538 372 H ALA 52 H ALA 52 -11.588 -13.407 4.404 373 HA ALA 52 HA ALA 52 -12.658 -14.431 2.790 374 HB1 ALA 52 1HB ALA 52 -14.696 -13.738 1.768 375 HB2 ALA 52 2HB ALA 52 -14.814 -13.354 3.498 376 HB3 ALA 52 3HB ALA 52 -14.493 -12.070 2.308 377 H GLU 53 H GLU 53 -10.933 -11.591 2.481 378 HA GLU 53 HA GLU 53 -10.565 -11.892 -0.450 379 HB2 GLU 53 1HB GLU 53 -10.606 -9.377 -0.467 380 HB3 GLU 53 2HB GLU 53 -12.131 -10.194 -0.145 381 HG2 GLU 53 1HG GLU 53 -12.325 -9.525 1.961 382 HG3 GLU 53 2HG GLU 53 -10.659 -9.498 2.326 383 H GLN 54 H GLN 54 -8.856 -12.903 1.495 384 HA GLN 54 HA GLN 54 -6.366 -11.311 1.139 385 HB2 GLN 54 1HB GLN 54 -5.278 -13.674 1.835 386 HB3 GLN 54 2HB GLN 54 -5.669 -12.391 2.956 387 HG2 GLN 54 1HG GLN 54 -7.274 -13.465 3.899 388 HG3 GLN 54 2HG GLN 54 -7.739 -14.435 2.454 389 HE21 GLN 54 1HE2 GLN 54 -5.995 -14.484 5.473 390 HE22 GLN 54 2HE2 GLN 54 -5.167 -16.001 5.219 391 HA PRO 55 HA PRO 55 -5.415 -13.163 -2.706 392 HB2 PRO 55 1HB PRO 55 -2.649 -13.305 -2.652 393 HB3 PRO 55 2HB PRO 55 -3.588 -11.790 -2.827 394 HG2 PRO 55 1HG PRO 55 -2.289 -12.932 -0.377 395 HG3 PRO 55 2HG PRO 55 -2.364 -11.215 -0.908 396 HD2 PRO 55 1HD PRO 55 -3.958 -12.311 0.994 397 HD3 PRO 55 2HD PRO 55 -4.482 -10.934 0.008 398 HA PRO 56 HA PRO 56 -4.929 -17.524 -2.341 399 HB2 PRO 56 1HB PRO 56 -3.243 -18.100 -4.571 400 HB3 PRO 56 2HB PRO 56 -5.024 -18.037 -4.538 401 HG2 PRO 56 1HG PRO 56 -3.111 -16.091 -5.658 402 HG3 PRO 56 2HG PRO 56 -4.837 -16.262 -5.989 403 HD2 PRO 56 1HD PRO 56 -3.625 -14.295 -4.385 404 HD3 PRO 56 2HD PRO 56 -5.363 -14.648 -4.473 405 HA PRO 57 HA PRO 57 -1.229 -18.559 -0.228 406 HB2 PRO 57 1HB PRO 57 -0.845 -21.236 -0.868 407 HB3 PRO 57 2HB PRO 57 -2.075 -20.611 0.329 408 HG2 PRO 57 1HG PRO 57 -2.455 -21.423 -2.548 409 HG3 PRO 57 2HG PRO 57 -3.475 -21.805 -1.120 410 HD2 PRO 57 1HD PRO 57 -4.092 -19.788 -2.851 411 HD3 PRO 57 2HD PRO 57 -4.415 -19.644 -1.101 412 H ASN 58 H ASN 58 0.999 -19.029 -0.537 413 HA ASN 58 HA ASN 58 2.996 -18.887 -1.592 414 HB2 ASN 58 1HB ASN 58 3.498 -20.771 -3.054 415 HB3 ASN 58 2HB ASN 58 2.512 -21.267 -1.689 416 HD21 ASN 58 1HD2 ASN 58 2.214 -20.255 -5.148 417 HD22 ASN 58 2HD2 ASN 58 0.827 -21.286 -5.466 418 H THR 59 H THR 59 0.946 -17.073 -2.688 419 HA THR 59 HA THR 59 1.608 -16.731 -5.528 420 HB THR 59 HB THR 59 -0.241 -15.287 -3.554 421 HG1 THR 59 1HG THR 59 -0.667 -17.619 -4.124 422 HG21 THR 59 3HG2 THR 59 -1.492 -14.543 -5.506 423 HG22 THR 59 1HG2 THR 59 -0.244 -15.220 -6.580 424 HG23 THR 59 2HG2 THR 59 0.154 -13.891 -5.437 425 H LEU 60 H LEU 60 1.819 -15.015 -2.433 426 HA LEU 60 HA LEU 60 3.000 -12.579 -3.376 427 HB2 LEU 60 1HB LEU 60 2.559 -13.981 -0.719 428 HB3 LEU 60 2HB LEU 60 3.589 -12.579 -0.813 429 HG LEU 60 HG LEU 60 1.245 -12.162 -0.112 430 HD11 LEU 60 1HD1 LEU 60 2.067 -10.636 -2.638 431 HD12 LEU 60 2HD1 LEU 60 2.690 -10.309 -1.004 432 HD13 LEU 60 3HD1 LEU 60 0.983 -10.056 -1.356 433 HD21 LEU 60 3HD2 LEU 60 -0.471 -11.931 -1.676 434 HD22 LEU 60 1HD2 LEU 60 0.058 -13.616 -1.475 435 HD23 LEU 60 2HD2 LEU 60 0.505 -12.693 -2.957 436 H SER 61 H SER 61 5.179 -11.873 -3.016 437 HA SER 61 HA SER 61 6.997 -13.584 -1.581 438 HB2 SER 61 1HB SER 61 7.640 -12.572 -4.364 439 HB3 SER 61 2HB SER 61 8.779 -13.247 -3.224 440 HG SER 61 HG SER 61 6.725 -14.571 -4.653 441 H GLU 62 H GLU 62 9.060 -12.190 -1.251 442 HA GLU 62 HA GLU 62 8.088 -9.915 0.123 443 HB2 GLU 62 1HB GLU 62 10.984 -10.746 -0.254 444 HB3 GLU 62 2HB GLU 62 10.310 -9.708 1.020 445 HG2 GLU 62 1HG GLU 62 8.742 -11.731 1.530 446 HG3 GLU 62 2HG GLU 62 9.879 -12.685 0.590 447 H GLY 63 H GLY 63 8.898 -10.031 -3.033 448 HA2 GLY 63 1HA GLY 63 9.927 -7.239 -3.184 449 HA3 GLY 63 2HA GLY 63 10.307 -8.512 -4.356 450 H ALA 64 H ALA 64 7.031 -8.894 -3.364 451 HA ALA 64 HA ALA 64 6.325 -8.581 -6.074 452 HB1 ALA 64 1HB ALA 64 4.080 -9.141 -5.451 453 HB2 ALA 64 2HB ALA 64 5.141 -10.092 -4.406 454 HB3 ALA 64 3HB ALA 64 4.309 -8.645 -3.779 455 H GLU 65 H GLU 65 5.283 -6.966 -7.180 456 HA GLU 65 HA GLU 65 6.211 -4.443 -6.143 457 HB2 GLU 65 1HB GLU 65 5.052 -5.153 -8.813 458 HB3 GLU 65 2HB GLU 65 5.997 -3.706 -8.409 459 HG2 GLU 65 1HG GLU 65 8.006 -5.009 -8.145 460 HG3 GLU 65 2HG GLU 65 7.101 -6.518 -8.080 461 H VAL 66 H VAL 66 4.408 -4.659 -4.667 462 HA VAL 66 HA VAL 66 1.730 -4.177 -5.543 463 HB VAL 66 HB VAL 66 0.960 -4.192 -3.341 464 HG11 VAL 66 1HG1 VAL 66 1.787 -6.328 -2.626 465 HG12 VAL 66 2HG1 VAL 66 1.819 -6.286 -4.406 466 HG13 VAL 66 3HG1 VAL 66 3.310 -6.106 -3.490 467 HG21 VAL 66 3HG2 VAL 66 2.513 -4.355 -1.412 468 HG22 VAL 66 1HG2 VAL 66 3.848 -3.814 -2.464 469 HG23 VAL 66 2HG2 VAL 66 2.442 -2.752 -2.167 470 H SER 67 H SER 67 0.454 -2.336 -5.676 471 HA SER 67 HA SER 67 1.731 0.313 -5.257 472 HB2 SER 67 1HB SER 67 -1.074 -0.152 -6.209 473 HB3 SER 67 2HB SER 67 -0.013 1.200 -6.551 474 HG SER 67 HG SER 67 -0.401 -0.467 -8.261 475 H VAL 68 H VAL 68 0.184 1.978 -4.164 476 HA VAL 68 HA VAL 68 -1.799 0.878 -2.330 477 HB VAL 68 HB VAL 68 -0.806 2.703 -0.696 478 HG11 VAL 68 1HG1 VAL 68 -1.189 0.253 -0.272 479 HG12 VAL 68 2HG1 VAL 68 0.495 -0.021 -0.767 480 HG13 VAL 68 3HG1 VAL 68 0.114 1.018 0.641 481 HG21 VAL 68 3HG2 VAL 68 1.106 3.403 -2.091 482 HG22 VAL 68 1HG2 VAL 68 1.594 2.766 -0.515 483 HG23 VAL 68 2HG2 VAL 68 1.794 1.776 -1.970 484 H SER 69 H SER 69 -3.660 2.064 -2.582 485 HA SER 69 HA SER 69 -3.315 4.942 -3.143 486 HB2 SER 69 1HB SER 69 -5.108 5.043 -4.599 487 HB3 SER 69 2HB SER 69 -4.271 3.570 -5.125 488 HG SER 69 HG SER 69 -6.641 3.554 -4.896 489 H VAL 70 H VAL 70 -4.795 6.330 -2.022 490 HA VAL 70 HA VAL 70 -6.960 5.269 -0.558 491 HB VAL 70 HB VAL 70 -5.205 4.647 1.020 492 HG11 VAL 70 1HG1 VAL 70 -3.777 6.264 2.179 493 HG12 VAL 70 2HG1 VAL 70 -3.451 6.345 0.436 494 HG13 VAL 70 3HG1 VAL 70 -4.436 7.585 1.205 495 HG21 VAL 70 3HG2 VAL 70 -6.141 5.536 2.970 496 HG22 VAL 70 1HG2 VAL 70 -6.674 7.015 2.140 497 HG23 VAL 70 2HG2 VAL 70 -7.431 5.445 1.768 498 H TRP 71 H TRP 71 -8.361 6.899 -0.050 499 HA TRP 71 HA TRP 71 -7.910 9.583 -1.196 500 HB2 TRP 71 1HB TRP 71 -10.295 8.224 0.116 501 HB3 TRP 71 2HB TRP 71 -10.261 9.926 -0.346 502 HD1 TRP 71 HD TRP 71 -10.385 6.436 -1.895 503 HE1 TRP 71 1HE TRP 71 -11.035 6.625 -4.365 504 HE3 TRP 71 3HE TRP 71 -10.047 11.486 -2.412 505 HZ2 TRP 71 2HZ TRP 71 -11.255 8.723 -6.360 506 HZ3 TRP 71 3HZ TRP 71 -10.438 12.573 -4.614 507 HH2 TRP 71 HH TRP 71 -11.049 11.185 -6.591 508 H THR 72 H THR 72 -6.710 10.944 0.028 509 HA THR 72 HA THR 72 -7.437 11.446 2.778 510 HB THR 72 HB THR 72 -5.898 9.533 3.000 511 HG1 THR 72 1HG THR 72 -4.850 10.478 4.592 512 HG21 THR 72 3HG2 THR 72 -3.726 11.254 1.741 513 HG22 THR 72 1HG2 THR 72 -4.590 9.998 0.828 514 HG23 THR 72 2HG2 THR 72 -3.659 9.553 2.240 515 H GLY 73 H GLY 73 -5.895 13.346 3.480 516 HA2 GLY 73 1HA GLY 73 -5.129 15.481 3.132 517 HA3 GLY 73 2HA GLY 73 -4.301 14.776 1.743 518 H GLY 74 H GLY 74 -7.757 14.653 1.382 519 HA2 GLY 74 1HA GLY 74 -9.278 16.196 0.448 520 HA3 GLY 74 2HA GLY 74 -7.998 17.375 0.244 521 H ALA 75 H ALA 75 -6.978 14.351 -1.016 522 HA ALA 75 HA ALA 75 -8.175 14.703 -3.680 523 HB1 ALA 75 1HB ALA 75 -5.893 14.665 -4.725 524 HB2 ALA 75 2HB ALA 75 -6.185 16.121 -3.771 525 HB3 ALA 75 3HB ALA 75 -5.190 14.808 -3.103 526 H LEU 76 H LEU 76 -6.714 12.680 -5.010 527 HA LEU 76 HA LEU 76 -6.875 10.318 -3.216 528 HB2 LEU 76 1HB LEU 76 -8.227 10.118 -5.231 529 HB3 LEU 76 2HB LEU 76 -6.872 10.610 -6.225 530 HG LEU 76 HG LEU 76 -5.656 8.531 -5.683 531 HD11 LEU 76 1HD1 LEU 76 -6.872 6.704 -4.436 532 HD12 LEU 76 2HD1 LEU 76 -8.088 7.908 -3.953 533 HD13 LEU 76 3HD1 LEU 76 -6.404 8.066 -3.434 534 HD21 LEU 76 3HD2 LEU 76 -7.124 8.410 -7.610 535 HD22 LEU 76 1HD2 LEU 76 -8.540 8.107 -6.581 536 HD23 LEU 76 2HD2 LEU 76 -7.247 6.907 -6.713 537 H CYS 77 H CYS 77 -4.996 9.535 -2.519 538 HA CYS 77 HA CYS 77 -2.410 10.259 -3.766 539 HB2 CYS 77 1HB CYS 77 -2.398 10.554 -1.333 540 HB3 CYS 77 2HB CYS 77 -3.275 9.081 -1.107 541 HG CYS 77 HG CYS 77 -0.253 9.322 -1.766 542 H ARG 78 H ARG 78 -1.267 8.672 -4.836 543 HA ARG 78 HA ARG 78 -1.802 5.935 -4.134 544 HB2 ARG 78 1HB ARG 78 -3.251 6.139 -6.086 545 HB3 ARG 78 2HB ARG 78 -1.920 6.788 -7.044 546 HG2 ARG 78 1HG ARG 78 -1.426 4.119 -5.745 547 HG3 ARG 78 2HG ARG 78 -2.663 4.154 -6.973 548 HD2 ARG 78 1HD ARG 78 0.182 5.161 -7.399 549 HD3 ARG 78 2HD ARG 78 -0.393 3.551 -7.842 550 HE ARG 78 HE ARG 78 -2.181 5.427 -8.983 551 HH11 ARG 78 1HH1 ARG 78 1.308 4.586 -9.398 552 HH12 ARG 78 2HH1 ARG 78 1.274 4.993 -11.073 553 HH21 ARG 78 1HH2 ARG 78 -2.202 5.673 -11.151 554 HH22 ARG 78 2HH2 ARG 78 -0.762 5.807 -12.114 555 H CYS 79 H CYS 79 0.191 5.051 -3.695 556 HA CYS 79 HA CYS 79 2.466 6.144 -5.268 557 HB2 CYS 79 1HB CYS 79 2.388 6.738 -2.791 558 HB3 CYS 79 2HB CYS 79 2.804 5.122 -2.410 559 HG CYS 79 HG CYS 79 5.073 4.993 -3.411 560 H ASP 80 H ASP 80 4.245 4.527 -5.350 561 HA ASP 80 HA ASP 80 3.102 1.918 -6.235 562 HB2 ASP 80 1HB ASP 80 5.368 3.643 -7.341 563 HB3 ASP 80 2HB ASP 80 4.922 2.078 -7.947 564 H GLY 81 H GLY 81 4.381 0.151 -5.391 565 HA2 GLY 81 1HA GLY 81 6.854 0.716 -3.849 566 HA3 GLY 81 2HA GLY 81 5.412 0.301 -2.953 567 H ARG 82 H ARG 82 6.835 -1.480 -2.215 568 HA ARG 82 HA ARG 82 6.541 -3.880 -3.914 569 HB2 ARG 82 1HB ARG 82 9.074 -3.338 -2.319 570 HB3 ARG 82 2HB ARG 82 8.748 -4.733 -3.340 571 HG2 ARG 82 1HG ARG 82 9.198 -1.872 -4.323 572 HG3 ARG 82 2HG ARG 82 10.385 -3.170 -4.278 573 HD2 ARG 82 1HD ARG 82 8.739 -4.513 -5.755 574 HD3 ARG 82 2HD ARG 82 7.960 -2.963 -6.079 575 HE ARG 82 HE ARG 82 10.512 -3.945 -7.030 576 HH11 ARG 82 1HH1 ARG 82 8.685 -0.906 -6.551 577 HH12 ARG 82 2HH1 ARG 82 9.698 -0.034 -7.631 578 HH21 ARG 82 1HH2 ARG 82 11.619 -2.843 -8.537 579 HH22 ARG 82 2HH2 ARG 82 11.171 -1.299 -9.045 580 H VAL 83 H VAL 83 6.823 -5.897 -2.337 581 HA VAL 83 HA VAL 83 5.364 -5.546 0.049 582 HB VAL 83 HB VAL 83 6.835 -7.828 -1.224 583 HG11 VAL 83 1HG1 VAL 83 5.304 -8.010 1.408 584 HG12 VAL 83 2HG1 VAL 83 5.899 -9.373 0.411 585 HG13 VAL 83 3HG1 VAL 83 7.042 -8.293 1.195 586 HG21 VAL 83 3HG2 VAL 83 4.671 -7.103 -2.139 587 HG22 VAL 83 1HG2 VAL 83 4.555 -8.724 -1.440 588 HG23 VAL 83 2HG2 VAL 83 3.901 -7.330 -0.558 589 H GLU 84 H GLU 84 8.855 -5.657 -0.321 590 HA GLU 84 HA GLU 84 10.527 -4.901 1.060 591 HB2 GLU 84 1HB GLU 84 8.571 -3.439 2.032 592 HB3 GLU 84 2HB GLU 84 8.657 -4.483 3.377 593 HG2 GLU 84 1HG GLU 84 11.101 -3.020 2.307 594 HG3 GLU 84 2HG GLU 84 9.937 -2.253 3.394 595 H THR 85 H THR 85 8.151 -6.628 3.109 596 HA THR 85 HA THR 85 9.854 -8.983 3.427 597 HB THR 85 HB THR 85 8.944 -7.238 5.769 598 HG1 THR 85 1HG THR 85 10.848 -6.405 5.051 599 HG21 THR 85 3HG2 THR 85 10.339 -9.936 5.790 600 HG22 THR 85 1HG2 THR 85 8.707 -9.587 6.372 601 HG23 THR 85 2HG2 THR 85 10.095 -8.905 7.215 602 H LEU 86 H LEU 86 8.501 -10.655 3.370 603 HA LEU 86 HA LEU 86 5.578 -10.186 3.792 604 HB2 LEU 86 1HB LEU 86 6.484 -11.340 1.599 605 HB3 LEU 86 2HB LEU 86 6.768 -12.706 2.656 606 HG LEU 86 HG LEU 86 4.177 -12.146 3.338 607 HD11 LEU 86 1HD1 LEU 86 4.447 -11.153 0.464 608 HD12 LEU 86 2HD1 LEU 86 4.147 -10.134 1.846 609 HD13 LEU 86 3HD1 LEU 86 2.924 -11.321 1.394 610 HD21 LEU 86 3HD2 LEU 86 4.791 -14.307 2.476 611 HD22 LEU 86 1HD2 LEU 86 4.993 -13.657 0.826 612 HD23 LEU 86 2HD2 LEU 86 3.372 -13.711 1.571 613 H ARG 87 H ARG 87 4.616 -11.601 5.316 614 HA ARG 87 HA ARG 87 6.505 -13.203 6.983 615 HB2 ARG 87 1HB ARG 87 6.072 -11.365 8.336 616 HB3 ARG 87 2HB ARG 87 4.392 -11.235 7.837 617 HG2 ARG 87 1HG ARG 87 3.733 -13.129 9.067 618 HG3 ARG 87 2HG ARG 87 5.423 -13.533 9.479 619 HD2 ARG 87 1HD ARG 87 5.538 -11.979 11.130 620 HD3 ARG 87 2HD ARG 87 4.480 -10.836 10.302 621 HE ARG 87 HE ARG 87 2.960 -11.464 11.796 622 HH11 ARG 87 1HH1 ARG 87 4.447 -14.617 10.816 623 HH12 ARG 87 2HH1 ARG 87 3.629 -15.465 12.057 624 HH21 ARG 87 1HH2 ARG 87 1.765 -12.777 13.290 625 HH22 ARG 87 2HH2 ARG 87 2.052 -14.494 13.293 626 H ASP 88 H ASP 88 3.108 -12.872 5.905 627 HA ASP 88 HA ASP 88 3.079 -15.767 5.391 628 HB2 ASP 88 1HB ASP 88 1.005 -14.404 7.159 629 HB3 ASP 88 2HB ASP 88 0.748 -15.955 6.371 630 H ASP 89 H ASP 89 0.910 -16.189 4.171 631 HA ASP 89 HA ASP 89 0.790 -14.657 1.816 632 HB2 ASP 89 1HB ASP 89 -1.342 -16.395 3.102 633 HB3 ASP 89 2HB ASP 89 -1.494 -15.741 1.490 634 H ARG 90 H ARG 90 -0.589 -13.920 4.882 635 HA ARG 90 HA ARG 90 -2.043 -11.627 3.699 636 HB2 ARG 90 1HB ARG 90 -3.889 -11.871 5.145 637 HB3 ARG 90 2HB ARG 90 -3.691 -13.285 4.128 638 HG2 ARG 90 1HG ARG 90 -3.357 -14.612 5.802 639 HG3 ARG 90 2HG ARG 90 -2.253 -13.608 6.691 640 HD2 ARG 90 1HD ARG 90 -3.833 -12.632 8.010 641 HD3 ARG 90 2HD ARG 90 -5.079 -12.637 6.757 642 HE ARG 90 HE ARG 90 -4.686 -15.312 7.442 643 HH11 ARG 90 1HH1 ARG 90 -5.245 -12.514 9.592 644 HH12 ARG 90 2HH1 ARG 90 -6.610 -13.232 10.369 645 HH21 ARG 90 1HH2 ARG 90 -6.500 -16.278 8.580 646 HH22 ARG 90 2HH2 ARG 90 -7.134 -15.460 9.973 647 H GLN 91 H GLN 91 0.625 -12.041 5.556 648 HA GLN 91 HA GLN 91 -0.018 -9.690 7.211 649 HB2 GLN 91 1HB GLN 91 1.525 -12.114 8.079 650 HB3 GLN 91 2HB GLN 91 1.313 -10.678 9.025 651 HG2 GLN 91 1HG GLN 91 -1.065 -11.018 9.263 652 HG3 GLN 91 2HG GLN 91 -1.071 -12.381 8.181 653 HE21 GLN 91 1HE2 GLN 91 1.371 -13.831 9.382 654 HE22 GLN 91 2HE2 GLN 91 0.645 -14.482 10.780 655 H PHE 92 H PHE 92 1.294 -8.316 6.408 656 HA PHE 92 HA PHE 92 4.124 -8.889 5.843 657 HB2 PHE 92 1HB PHE 92 3.984 -8.432 3.374 658 HB3 PHE 92 2HB PHE 92 3.322 -9.944 3.927 659 HD1 PHE 92 1HD PHE 92 2.258 -6.508 2.899 660 HD2 PHE 92 2HD PHE 92 1.164 -10.660 3.293 661 HE1 PHE 92 1HE PHE 92 0.249 -6.082 1.567 662 HE2 PHE 92 2HE PHE 92 -0.922 -10.225 2.006 663 HZ PHE 92 HZ PHE 92 -1.392 -7.945 1.154 664 H ALA 93 H ALA 93 5.281 -7.136 4.670 665 HA ALA 93 HA ALA 93 4.572 -4.529 5.794 666 HB1 ALA 93 1HB ALA 93 6.833 -5.341 6.221 667 HB2 ALA 93 2HB ALA 93 7.082 -5.657 4.512 668 HB3 ALA 93 3HB ALA 93 6.920 -3.996 5.072 669 H ILE 94 H ILE 94 5.308 -2.634 4.245 670 HA ILE 94 HA ILE 94 5.652 -3.357 1.507 671 HB ILE 94 HB ILE 94 4.392 -1.291 0.764 672 HG12 ILE 94 1HG1 ILE 94 2.719 -1.716 3.271 673 HG13 ILE 94 2HG1 ILE 94 3.886 -0.397 3.044 674 HG21 ILE 94 1HG2 ILE 94 2.612 -3.590 1.623 675 HG22 ILE 94 2HG2 ILE 94 2.415 -2.524 0.221 676 HG23 ILE 94 3HG2 ILE 94 3.774 -3.667 0.293 677 HD11 ILE 94 3HD1 ILE 94 1.346 -0.876 1.468 678 HD12 ILE 94 1HD1 ILE 94 1.769 0.509 2.490 679 HD13 ILE 94 2HD1 ILE 94 2.606 0.262 0.952 680 H ARG 95 H ARG 95 7.042 -1.969 0.487 681 HA ARG 95 HA ARG 95 8.369 0.247 2.072 682 HB2 ARG 95 1HB ARG 95 9.583 -1.986 0.849 683 HB3 ARG 95 2HB ARG 95 9.653 -0.821 -0.411 684 HG2 ARG 95 1HG ARG 95 10.616 -0.301 2.419 685 HG3 ARG 95 2HG ARG 95 11.654 -0.880 1.104 686 HD2 ARG 95 1HD ARG 95 11.231 1.170 -0.175 687 HD3 ARG 95 2HD ARG 95 10.128 1.746 1.095 688 HE ARG 95 HE ARG 95 12.514 1.121 2.362 689 HH11 ARG 95 1HH1 ARG 95 11.353 3.498 -0.050 690 HH12 ARG 95 2HH1 ARG 95 12.680 4.590 0.161 691 HH21 ARG 95 1HH2 ARG 95 14.081 2.776 2.903 692 HH22 ARG 95 2HH2 ARG 95 14.320 4.113 1.851 693 H LEU 96 H LEU 96 7.767 2.126 1.447 694 HA LEU 96 HA LEU 96 6.447 2.489 -1.173 695 HB2 LEU 96 1HB LEU 96 7.100 4.608 0.895 696 HB3 LEU 96 2HB LEU 96 6.009 4.713 -0.482 697 HG LEU 96 HG LEU 96 4.532 4.622 1.230 698 HD11 LEU 96 1HD1 LEU 96 3.437 2.454 1.385 699 HD12 LEU 96 2HD1 LEU 96 4.838 1.652 0.652 700 HD13 LEU 96 3HD1 LEU 96 3.898 2.833 -0.270 701 HD21 LEU 96 3HD2 LEU 96 6.098 4.325 3.057 702 HD22 LEU 96 1HD2 LEU 96 6.176 2.561 2.744 703 HD23 LEU 96 2HD2 LEU 96 4.674 3.329 3.275 704 H VAL 97 H VAL 97 7.498 3.510 -2.911 705 HA VAL 97 HA VAL 97 10.241 4.552 -2.483 706 HB VAL 97 HB VAL 97 10.940 3.451 -4.534 707 HG11 VAL 97 1HG1 VAL 97 11.404 2.347 -2.371 708 HG12 VAL 97 2HG1 VAL 97 9.903 1.399 -2.538 709 HG13 VAL 97 3HG1 VAL 97 11.236 1.187 -3.693 710 HG21 VAL 97 3HG2 VAL 97 8.385 1.848 -4.515 711 HG22 VAL 97 1HG2 VAL 97 8.752 3.133 -5.659 712 HG23 VAL 97 2HG2 VAL 97 9.743 1.674 -5.634 713 H GLY 98 H GLY 98 10.962 5.953 -4.270 714 HA2 GLY 98 1HA GLY 98 10.754 7.356 -6.028 715 HA3 GLY 98 2HA GLY 98 9.254 6.536 -6.442 716 H ARG 99 H ARG 99 9.040 7.750 -3.375 717 HA ARG 99 HA ARG 99 7.868 9.372 -2.327 718 HB2 ARG 99 1HB ARG 99 9.443 10.957 -3.091 719 HB3 ARG 99 2HB ARG 99 8.797 10.990 -4.715 720 HG2 ARG 99 1HG ARG 99 8.293 13.017 -3.778 721 HG3 ARG 99 2HG ARG 99 6.767 12.177 -3.895 722 HD2 ARG 99 1HD ARG 99 6.520 12.125 -1.564 723 HD3 ARG 99 2HD ARG 99 8.254 11.952 -1.295 724 HE ARG 99 HE ARG 99 8.414 14.145 -0.958 725 HH11 ARG 99 1HH1 ARG 99 5.253 13.753 -2.638 726 HH12 ARG 99 2HH1 ARG 99 5.045 15.490 -2.703 727 HH21 ARG 99 1HH2 ARG 99 8.110 16.460 -1.456 728 HH22 ARG 99 2HH2 ARG 99 6.516 16.908 -1.976 729 H VAL 100 H VAL 100 5.830 10.042 -2.063 730 HA VAL 100 HA VAL 100 3.786 9.302 -4.081 731 HB VAL 100 HB VAL 100 3.455 8.305 -1.992 732 HG11 VAL 100 1HG1 VAL 100 4.770 9.068 -0.532 733 HG12 VAL 100 2HG1 VAL 100 3.942 10.601 -0.426 734 HG13 VAL 100 3HG1 VAL 100 3.127 9.074 0.078 735 HG21 VAL 100 3HG2 VAL 100 1.314 8.419 -1.615 736 HG22 VAL 100 1HG2 VAL 100 1.116 10.002 -2.357 737 HG23 VAL 100 2HG2 VAL 100 1.588 8.672 -3.336 738 H ARG 101 H ARG 101 2.142 10.843 -4.537 739 HA ARG 101 HA ARG 101 2.013 13.362 -3.159 740 HB2 ARG 101 1HB ARG 101 1.939 14.698 -5.331 741 HB3 ARG 101 2HB ARG 101 3.524 14.217 -4.758 742 HG2 ARG 101 1HG ARG 101 3.847 12.622 -6.415 743 HG3 ARG 101 2HG ARG 101 2.115 12.462 -6.798 744 HD2 ARG 101 1HD ARG 101 2.040 14.493 -7.941 745 HD3 ARG 101 2HD ARG 101 3.559 15.087 -7.200 746 HE ARG 101 HE ARG 101 4.154 12.757 -8.658 747 HH11 ARG 101 1HH1 ARG 101 3.361 16.189 -9.144 748 HH12 ARG 101 2HH1 ARG 101 4.372 16.326 -10.549 749 HH21 ARG 101 1HH2 ARG 101 5.036 12.838 -10.723 750 HH22 ARG 101 2HH2 ARG 101 5.086 14.281 -11.659 751 H GLU 102 H GLU 102 0.112 14.557 -4.583 752 HA GLU 102 HA GLU 102 -2.171 12.718 -4.590 753 HB2 GLU 102 1HB GLU 102 -2.030 15.776 -4.855 754 HB3 GLU 102 2HB GLU 102 -3.422 14.790 -4.500 755 HG2 GLU 102 1HG GLU 102 -2.785 15.807 -2.444 756 HG3 GLU 102 2HG GLU 102 -2.298 14.112 -2.328 757 H LEU 103 H LEU 103 -2.801 11.933 -6.607 758 HA LEU 103 HA LEU 103 -1.966 13.426 -9.018 759 HB2 LEU 103 1HB LEU 103 -1.765 11.193 -10.125 760 HB3 LEU 103 2HB LEU 103 -0.495 11.740 -9.050 761 HG LEU 103 HG LEU 103 -1.237 9.284 -8.996 762 HD11 LEU 103 1HD1 LEU 103 -1.180 10.697 -6.330 763 HD12 LEU 103 2HD1 LEU 103 0.254 10.454 -7.350 764 HD13 LEU 103 3HD1 LEU 103 -0.638 9.068 -6.730 765 HD21 LEU 103 3HD2 LEU 103 -3.661 9.640 -8.827 766 HD22 LEU 103 1HD2 LEU 103 -3.459 10.319 -7.214 767 HD23 LEU 103 2HD2 LEU 103 -3.042 8.635 -7.524 768 H GLN 104 H GLN 104 -4.745 12.342 -7.416 769 HA GLN 104 HA GLN 104 -6.343 12.936 -9.790 770 HB2 GLN 104 1HB GLN 104 -6.279 10.320 -8.291 771 HB3 GLN 104 2HB GLN 104 -7.864 10.975 -8.672 772 HG2 GLN 104 1HG GLN 104 -7.651 9.838 -10.545 773 HG3 GLN 104 2HG GLN 104 -6.707 11.218 -11.094 774 HE21 GLN 104 1HE2 GLN 104 -4.437 10.882 -11.482 775 HE22 GLN 104 2HE2 GLN 104 -3.755 9.260 -11.471 776 H ARG 105 H ARG 105 -8.672 13.363 -9.029 777 HA ARG 105 HA ARG 105 -8.792 14.322 -6.249 778 HB2 ARG 105 1HB ARG 105 -9.517 16.088 -8.631 779 HB3 ARG 105 2HB ARG 105 -9.732 16.463 -6.932 780 HG2 ARG 105 1HG ARG 105 -7.830 17.597 -7.164 781 HG3 ARG 105 2HG ARG 105 -7.060 16.056 -6.870 782 HD2 ARG 105 1HD ARG 105 -6.817 15.741 -9.332 783 HD3 ARG 105 2HD ARG 105 -7.669 17.258 -9.622 784 HE ARG 105 HE ARG 105 -4.926 16.846 -8.677 785 HH11 ARG 105 1HH1 ARG 105 -7.432 19.339 -9.263 786 HH12 ARG 105 2HH1 ARG 105 -6.377 20.652 -8.865 787 HH21 ARG 105 1HH2 ARG 105 -3.521 18.562 -8.538 788 HH22 ARG 105 2HH2 ARG 105 -4.060 20.182 -8.782 789 H ARG 106 H ARG 106 -11.224 15.118 -5.935 790 HA ARG 106 HA ARG 106 -12.881 12.821 -6.536 791 HB2 ARG 106 1HB ARG 106 -13.526 15.598 -5.428 792 HB3 ARG 106 2HB ARG 106 -14.685 14.284 -5.521 793 HG2 ARG 106 1HG ARG 106 -13.405 12.891 -4.029 794 HG3 ARG 106 2HG ARG 106 -12.079 14.050 -3.957 795 HD2 ARG 106 1HD ARG 106 -14.862 14.934 -3.166 796 HD3 ARG 106 2HD ARG 106 -13.860 13.985 -2.052 797 HE ARG 106 HE ARG 106 -12.476 16.263 -3.219 798 HH11 ARG 106 1HH1 ARG 106 -14.696 15.355 -0.594 799 HH12 ARG 106 2HH1 ARG 106 -13.964 16.392 0.579 800 HH21 ARG 106 1HH2 ARG 106 -11.662 17.788 -1.692 801 HH22 ARG 106 2HH2 ARG 106 -11.983 17.573 0.009 802 H GLU 107 H GLU 107 -15.027 13.079 -7.553 803 HA GLU 107 HA GLU 107 -15.075 15.087 -9.764 804 HB2 GLU 107 1HB GLU 107 -15.076 12.688 -10.498 805 HB3 GLU 107 2HB GLU 107 -16.643 12.490 -9.694 806 HG2 GLU 107 1HG GLU 107 -17.575 14.348 -11.102 807 HG3 GLU 107 2HG GLU 107 -15.995 14.582 -11.839 808 H TYR 108 H TYR 108 -15.472 16.253 -7.590 809 HA TYR 108 HA TYR 108 -16.905 17.551 -6.377 810 HB2 TYR 108 1HB TYR 108 -18.633 17.182 -8.850 811 HB3 TYR 108 2HB TYR 108 -18.705 18.513 -7.717 812 HD1 TYR 108 2HD TYR 108 -16.664 16.925 -10.421 813 HD2 TYR 108 1HD TYR 108 -17.229 20.405 -7.936 814 HE1 TYR 108 2HE TYR 108 -14.992 18.129 -11.748 815 HE2 TYR 108 1HE TYR 108 -15.687 21.672 -9.363 816 HH TYR 108 HH TYR 108 -13.696 20.126 -11.917 817 H PHE 109 H PHE 109 -17.161 14.697 -5.758 818 HA PHE 109 HA PHE 109 -19.966 14.452 -4.772 819 HB2 PHE 109 1HB PHE 109 -17.629 12.578 -5.093 820 HB3 PHE 109 2HB PHE 109 -18.748 12.308 -3.765 821 HD1 PHE 109 1HD PHE 109 -19.803 13.385 -7.196 822 HD2 PHE 109 2HD PHE 109 -19.363 10.133 -4.402 823 HE1 PHE 109 1HE PHE 109 -21.062 11.887 -8.729 824 HE2 PHE 109 2HE PHE 109 -20.591 8.634 -5.952 825 HZ PHE 109 HZ PHE 109 -21.449 9.516 -8.116
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