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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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651067 |
6to6 ![]() ![]() |
34462 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY -1 H GLY -1 2.933 9.680 -6.647 2 HA2 GLY -1 HA2 GLY -1 1.325 8.998 -4.949 3 HA3 GLY -1 HA3 GLY -1 2.009 7.597 -5.780 4 H SER 0 H SER 0 2.488 6.673 -3.620 5 HA SER 0 HA SER 0 4.232 8.029 -1.855 6 HB2 SER 0 HB3 SER 0 3.849 5.037 -2.171 7 HB3 SER 0 HB2 SER 0 4.479 5.867 -0.745 8 HG SER 0 HG SER 0 2.399 7.017 -0.763 9 H MET 1 H MET 1 4.692 5.962 -4.626 10 HA MET 1 HA MET 1 7.563 6.491 -4.499 11 HB2 MET 1 HB3 MET 1 6.909 4.095 -4.767 12 HB3 MET 1 HB2 MET 1 6.030 4.517 -6.228 13 HG2 MET 1 HG3 MET 1 8.068 5.094 -7.353 14 HG3 MET 1 HG2 MET 1 8.992 4.903 -5.869 15 HE1 MET 1 HE1 MET 1 6.938 3.055 -8.677 16 HE2 MET 1 HE2 MET 1 6.083 2.583 -7.215 17 HE3 MET 1 HE3 MET 1 7.001 1.383 -8.126 18 H SER 2 H SER 2 8.353 7.956 -5.834 19 HA SER 2 HA SER 2 8.555 9.544 -7.345 20 HB2 SER 2 HB3 SER 2 8.055 7.759 -9.049 21 HB3 SER 2 HB2 SER 2 6.347 8.160 -8.926 22 HG SER 2 HG SER 2 8.468 9.615 -10.035 23 H TYR 3 H TYR 3 7.985 11.054 -5.958 24 HA TYR 3 HA TYR 3 7.059 12.969 -5.302 25 HB2 TYR 3 HB3 TYR 3 5.091 12.675 -7.557 26 HB3 TYR 3 HB2 TYR 3 5.402 14.133 -6.629 27 HD1 TYR 3 HD1 TYR 3 8.158 14.562 -6.540 28 HD2 TYR 3 HD2 TYR 3 5.897 12.757 -9.642 29 HE1 TYR 3 HE1 TYR 3 9.895 15.183 -8.162 30 HE2 TYR 3 HE2 TYR 3 7.572 13.341 -11.246 31 HH TYR 3 HH TYR 3 9.400 15.204 -11.395 32 H ASP 4 H ASP 4 6.297 12.749 -3.393 33 HA ASP 4 HA ASP 4 3.711 11.525 -2.875 34 HB2 ASP 4 HB3 ASP 4 5.624 11.229 -1.287 35 HB3 ASP 4 HB2 ASP 4 5.656 12.965 -1.024 36 H TYR 5 H TYR 5 4.747 14.182 -4.158 37 HA TYR 5 HA TYR 5 3.837 16.037 -4.983 38 HB2 TYR 5 HB3 TYR 5 1.292 15.423 -3.466 39 HB3 TYR 5 HB2 TYR 5 1.484 16.465 -4.870 40 HD1 TYR 5 HD1 TYR 5 2.425 15.200 -7.107 41 HD2 TYR 5 HD2 TYR 5 0.548 13.301 -3.754 42 HE1 TYR 5 HE1 TYR 5 1.917 13.278 -8.475 43 HE2 TYR 5 HE2 TYR 5 0.047 11.364 -5.143 44 HH TYR 5 HH TYR 5 -0.258 10.853 -7.500 45 H SER 6 H SER 6 5.189 15.913 -2.401 46 HA SER 6 HA SER 6 4.107 17.546 -0.434 47 HB2 SER 6 HB3 SER 6 7.034 17.372 -1.109 48 HB3 SER 6 HB2 SER 6 6.280 17.546 0.480 49 HG SER 6 HG SER 6 5.393 15.480 0.225 50 H SER 7 H SER 7 6.122 18.507 -3.241 51 HA SER 7 HA SER 7 6.266 21.246 -2.504 52 HB2 SER 7 HB3 SER 7 7.909 20.167 -4.054 53 HB3 SER 7 HB2 SER 7 6.630 19.971 -5.247 54 HG SER 7 HG SER 7 7.698 22.387 -4.233 55 H LEU 8 H LEU 8 4.119 19.316 -4.456 56 HA LEU 8 HA LEU 8 2.571 21.391 -5.586 57 HB2 LEU 8 HB3 LEU 8 2.561 19.143 -6.493 58 HB3 LEU 8 HB2 LEU 8 1.964 18.508 -5.017 59 HG LEU 8 HG LEU 8 -0.149 19.712 -5.319 60 HD11 LEU 8 HD11 LEU 8 1.015 20.509 -7.984 61 HD12 LEU 8 HD12 LEU 8 0.600 21.577 -6.634 62 HD13 LEU 8 HD13 LEU 8 -0.670 20.706 -7.486 63 HD21 LEU 8 HD21 LEU 8 0.032 17.463 -5.992 64 HD22 LEU 8 HD22 LEU 8 0.816 17.955 -7.498 65 HD23 LEU 8 HD23 LEU 8 -0.903 18.326 -7.231 66 H LEU 9 H LEU 9 2.110 19.286 -2.780 67 HA LEU 9 HA LEU 9 -0.278 20.134 -1.946 68 HB2 LEU 9 HB3 LEU 9 2.127 19.028 -0.613 69 HB3 LEU 9 HB2 LEU 9 0.733 19.408 0.341 70 HG LEU 9 HG LEU 9 0.770 17.463 -1.976 71 HD11 LEU 9 HD11 LEU 9 0.781 16.976 0.996 72 HD12 LEU 9 HD12 LEU 9 2.115 16.668 -0.120 73 HD13 LEU 9 HD13 LEU 9 0.622 15.742 -0.254 74 HD21 LEU 9 HD21 LEU 9 -1.412 16.759 -1.128 75 HD22 LEU 9 HD22 LEU 9 -1.449 18.461 -1.579 76 HD23 LEU 9 HD23 LEU 9 -1.339 17.998 0.117 77 H GLY 10 H GLY 10 2.901 21.526 -1.418 78 HA2 GLY 10 HA3 GLY 10 2.281 23.447 0.522 79 HA3 GLY 10 HA2 GLY 10 3.562 23.599 -0.680 80 H LYS 11 H LYS 11 2.177 23.672 -3.057 81 HA LYS 11 HA LYS 11 1.246 26.291 -3.168 82 HB2 LYS 11 HB3 LYS 11 1.338 23.963 -5.033 83 HB3 LYS 11 HB2 LYS 11 0.583 25.478 -5.491 84 HG2 LYS 11 HG3 LYS 11 3.355 25.258 -4.458 85 HG3 LYS 11 HG2 LYS 11 2.975 25.167 -6.188 86 HD2 LYS 11 HD3 LYS 11 2.069 27.395 -6.171 87 HD3 LYS 11 HD2 LYS 11 2.164 27.496 -4.419 88 HE2 LYS 11 HE3 LYS 11 4.511 27.254 -6.279 89 HE3 LYS 11 HE2 LYS 11 3.947 28.757 -5.546 90 HZ1 LYS 11 HZ1 LYS 11 5.751 27.871 -4.262 91 HZ2 LYS 11 HZ2 LYS 11 5.028 26.375 -4.186 92 HZ3 LYS 11 HZ3 LYS 11 4.330 27.660 -3.334 93 H ILE 12 H ILE 12 -0.255 23.178 -3.106 94 HA ILE 12 HA ILE 12 -2.902 23.964 -3.526 95 HB ILE 12 HB ILE 12 -1.852 21.648 -1.862 96 HG12 ILE 12 HG13 ILE 12 -2.955 21.771 -4.678 97 HG13 ILE 12 HG12 ILE 12 -1.264 21.584 -4.245 98 HG21 ILE 12 HG21 ILE 12 -4.109 22.193 -1.140 99 HG22 ILE 12 HG22 ILE 12 -4.108 20.682 -2.057 100 HG23 ILE 12 HG23 ILE 12 -4.664 22.178 -2.813 101 HD11 ILE 12 HD11 ILE 12 -3.439 19.603 -3.595 102 HD12 ILE 12 HD12 ILE 12 -1.701 19.409 -3.307 103 HD13 ILE 12 HD13 ILE 12 -2.319 19.491 -4.949 104 H THR 13 H THR 13 -1.097 23.689 -0.473 105 HA THR 13 HA THR 13 -3.123 24.681 1.181 106 HB THR 13 HB THR 13 -0.149 24.935 1.438 107 HG1 THR 13 HG1 THR 13 -2.070 22.977 2.233 108 HG21 THR 13 HG21 THR 13 -0.571 25.033 3.879 109 HG22 THR 13 HG22 THR 13 -2.302 24.915 3.580 110 HG23 THR 13 HG23 THR 13 -1.419 26.345 3.053 111 H GLU 14 H GLU 14 -0.592 26.257 -0.649 112 HA GLU 14 HA GLU 14 -0.943 28.774 0.399 113 HB2 GLU 14 HB3 GLU 14 0.261 27.610 -1.908 114 HB3 GLU 14 HB2 GLU 14 0.277 29.399 -1.899 115 HG2 GLU 14 HG3 GLU 14 1.553 29.106 0.297 116 HG3 GLU 14 HG2 GLU 14 1.605 27.377 -0.058 117 H LYS 15 H LYS 15 -2.739 27.140 -2.146 118 HA LYS 15 HA LYS 15 -3.928 29.653 -2.904 119 HB2 LYS 15 HB3 LYS 15 -3.080 27.299 -4.190 120 HB3 LYS 15 HB2 LYS 15 -4.800 27.543 -4.452 121 HG2 LYS 15 HG3 LYS 15 -3.521 28.657 -6.223 122 HG3 LYS 15 HG2 LYS 15 -4.225 29.895 -5.176 123 HD2 LYS 15 HD3 LYS 15 -2.010 29.784 -3.874 124 HD3 LYS 15 HD2 LYS 15 -1.397 28.912 -5.269 125 HE2 LYS 15 HE3 LYS 15 -2.574 31.672 -5.289 126 HE3 LYS 15 HE2 LYS 15 -0.867 31.231 -5.421 127 HZ1 LYS 15 HZ1 LYS 15 -2.997 30.488 -7.341 128 HZ2 LYS 15 HZ2 LYS 15 -1.363 30.100 -7.494 129 HZ3 LYS 15 HZ3 LYS 15 -1.881 31.711 -7.602 130 H CYS 16 H CYS 16 -4.720 26.346 -1.822 131 HA CYS 16 HA CYS 16 -7.478 27.136 -1.799 132 HB2 CYS 16 HB3 CYS 16 -6.095 24.498 -2.065 133 HB3 CYS 16 HB2 CYS 16 -7.827 24.777 -2.074 134 HG CYS 16 HG CYS 16 -7.552 26.496 -4.408 135 H GLY 17 H GLY 17 -4.773 25.600 -0.047 136 HA2 GLY 17 HA3 GLY 17 -5.067 25.879 2.465 137 HA3 GLY 17 HA2 GLY 17 -6.657 25.313 2.067 138 H THR 18 H THR 18 -6.832 23.296 0.972 139 HA THR 18 HA THR 18 -4.903 21.241 1.836 140 HB THR 18 HB THR 18 -6.797 19.963 2.836 141 HG1 THR 18 HG1 THR 18 -8.593 21.705 3.368 142 HG21 THR 18 HG21 THR 18 -7.001 21.417 4.897 143 HG22 THR 18 HG22 THR 18 -6.228 22.702 3.924 144 HG23 THR 18 HG23 THR 18 -5.336 21.245 4.302 145 H GLN 19 H GLN 19 -5.873 19.007 1.097 146 HA GLN 19 HA GLN 19 -6.287 19.036 -1.694 147 HB2 GLN 19 HB3 GLN 19 -6.988 16.812 0.244 148 HB3 GLN 19 HB2 GLN 19 -6.817 16.642 -1.488 149 HG2 GLN 19 HG3 GLN 19 -4.438 17.191 -1.294 150 HG3 GLN 19 HG2 GLN 19 -4.625 17.330 0.452 151 HE21 GLN 19 HE21 GLN 19 -3.447 13.912 -0.617 152 HE22 GLN 19 HE22 GLN 19 -2.960 15.499 -1.086 153 H TYR 20 H TYR 20 -8.396 18.832 1.050 154 HA TYR 20 HA TYR 20 -10.909 18.358 0.016 155 HB2 TYR 20 HB3 TYR 20 -10.124 18.728 2.434 156 HB3 TYR 20 HB2 TYR 20 -10.226 20.419 2.083 157 HD1 TYR 20 HD1 TYR 20 -12.430 21.397 1.349 158 HD2 TYR 20 HD2 TYR 20 -12.080 17.581 3.124 159 HE1 TYR 20 HE1 TYR 20 -14.823 21.492 1.980 160 HE2 TYR 20 HE2 TYR 20 -14.459 17.634 3.759 161 HH TYR 20 HH TYR 20 -16.164 19.331 4.194 162 H ASN 21 H ASN 21 -9.352 21.429 0.641 163 HA ASN 21 HA ASN 21 -11.322 23.004 -0.640 164 HB2 ASN 21 HB3 ASN 21 -8.511 23.623 0.102 165 HB3 ASN 21 HB2 ASN 21 -9.621 24.799 -0.555 166 HD21 ASN 21 HD21 ASN 21 -9.446 24.945 3.195 167 HD22 ASN 21 HD22 ASN 21 -8.342 24.986 1.907 168 H PHE 22 H PHE 22 -8.268 21.756 -1.699 169 HA PHE 22 HA PHE 22 -7.856 22.819 -4.220 170 HB2 PHE 22 HB3 PHE 22 -6.465 21.046 -3.112 171 HB3 PHE 22 HB2 PHE 22 -7.723 19.912 -3.448 172 HD1 PHE 22 HD1 PHE 22 -7.867 18.743 -5.451 173 HD2 PHE 22 HD2 PHE 22 -5.257 22.075 -5.150 174 HE1 PHE 22 HE1 PHE 22 -6.879 18.141 -7.617 175 HE2 PHE 22 HE2 PHE 22 -4.251 21.477 -7.333 176 HZ PHE 22 HZ PHE 22 -5.066 19.513 -8.561 177 H ALA 23 H ALA 23 -9.675 20.002 -3.395 178 HA ALA 23 HA ALA 23 -11.024 19.339 -5.713 179 HB1 ALA 23 HB1 ALA 23 -12.761 18.356 -4.273 180 HB2 ALA 23 HB2 ALA 23 -12.170 19.311 -2.912 181 HB3 ALA 23 HB3 ALA 23 -11.159 18.050 -3.589 182 H ILE 24 H ILE 24 -12.203 21.498 -3.130 183 HA ILE 24 HA ILE 24 -14.592 22.341 -4.164 184 HB ILE 24 HB ILE 24 -12.616 23.924 -2.534 185 HG12 ILE 24 HG13 ILE 24 -13.186 21.730 -1.526 186 HG13 ILE 24 HG12 ILE 24 -13.742 23.095 -0.609 187 HG21 ILE 24 HG21 ILE 24 -14.570 25.157 -1.702 188 HG22 ILE 24 HG22 ILE 24 -15.593 24.295 -2.852 189 HG23 ILE 24 HG23 ILE 24 -14.329 25.380 -3.435 190 HD11 ILE 24 HD11 ILE 24 -15.424 21.363 -2.399 191 HD12 ILE 24 HD12 ILE 24 -16.009 22.730 -1.447 192 HD13 ILE 24 HD13 ILE 24 -15.367 21.298 -0.636 193 H ALA 25 H ALA 25 -11.425 23.918 -4.476 194 HA ALA 25 HA ALA 25 -12.342 26.075 -6.068 195 HB1 ALA 25 HB1 ALA 25 -9.527 25.050 -5.746 196 HB2 ALA 25 HB2 ALA 25 -10.327 26.207 -4.679 197 HB3 ALA 25 HB3 ALA 25 -9.996 26.636 -6.356 198 H MET 26 H MET 26 -10.819 22.950 -6.923 199 HA MET 26 HA MET 26 -10.511 23.508 -9.657 200 HB2 MET 26 HB3 MET 26 -9.404 21.738 -8.100 201 HB3 MET 26 HB2 MET 26 -10.881 20.860 -8.425 202 HG2 MET 26 HG3 MET 26 -10.584 20.870 -10.691 203 HG3 MET 26 HG2 MET 26 -9.234 22.005 -10.556 204 HE1 MET 26 HE1 MET 26 -7.910 20.493 -12.147 205 HE2 MET 26 HE2 MET 26 -9.222 19.313 -12.224 206 HE3 MET 26 HE3 MET 26 -7.560 18.769 -11.919 207 H GLY 27 H GLY 27 -13.130 22.361 -7.685 208 HA2 GLY 27 HA3 GLY 27 -15.383 22.414 -8.400 209 HA3 GLY 27 HA2 GLY 27 -14.831 22.280 -10.072 210 H LEU 28 H LEU 28 -13.490 20.339 -7.593 211 HA LEU 28 HA LEU 28 -14.766 17.952 -8.738 212 HB2 LEU 28 HB3 LEU 28 -12.104 18.293 -7.381 213 HB3 LEU 28 HB2 LEU 28 -12.811 16.757 -7.814 214 HG LEU 28 HG LEU 28 -11.926 18.893 -9.758 215 HD11 LEU 28 HD11 LEU 28 -10.834 16.189 -9.029 216 HD12 LEU 28 HD12 LEU 28 -10.090 17.740 -8.622 217 HD13 LEU 28 HD13 LEU 28 -10.206 17.227 -10.313 218 HD21 LEU 28 HD21 LEU 28 -13.811 17.638 -10.553 219 HD22 LEU 28 HD22 LEU 28 -12.975 16.148 -10.073 220 HD23 LEU 28 HD23 LEU 28 -12.322 17.142 -11.399 221 H SER 29 H SER 29 -14.957 16.234 -7.178 222 HA SER 29 HA SER 29 -15.880 17.218 -4.600 223 HB2 SER 29 HB3 SER 29 -17.301 15.654 -5.985 224 HB3 SER 29 HB2 SER 29 -16.013 14.460 -5.807 225 HG SER 29 HG SER 29 -18.003 14.777 -4.251 226 H GLU 30 H GLU 30 -15.074 16.217 -2.691 227 HA GLU 30 HA GLU 30 -12.272 15.900 -2.649 228 HB2 GLU 30 HB3 GLU 30 -13.606 16.734 -0.720 229 HB3 GLU 30 HB2 GLU 30 -14.317 15.147 -0.527 230 HG2 GLU 30 HG3 GLU 30 -11.351 15.455 -0.323 231 HG3 GLU 30 HG2 GLU 30 -12.359 15.970 1.027 232 H ARG 31 H ARG 31 -14.913 13.715 -2.872 233 HA ARG 31 HA ARG 31 -13.761 11.236 -2.319 234 HB2 ARG 31 HB3 ARG 31 -16.187 11.853 -2.793 235 HB3 ARG 31 HB2 ARG 31 -15.768 11.767 -4.482 236 HG2 ARG 31 HG3 ARG 31 -16.765 9.685 -3.855 237 HG3 ARG 31 HG2 ARG 31 -15.054 9.415 -4.198 238 HD2 ARG 31 HD3 ARG 31 -15.682 8.196 -2.213 239 HD3 ARG 31 HD2 ARG 31 -14.600 9.504 -1.755 240 HE ARG 31 HE ARG 31 -17.516 9.697 -1.517 241 HH11 ARG 31 HH11 ARG 31 -14.302 10.053 -0.042 242 HH12 ARG 31 HH12 ARG 31 -14.895 10.671 1.415 243 HH21 ARG 31 HH21 ARG 31 -18.313 10.567 0.489 244 HH22 ARG 31 HH22 ARG 31 -17.260 11.004 1.738 245 H THR 32 H THR 32 -13.956 13.081 -5.262 246 HA THR 32 HA THR 32 -12.689 11.101 -6.950 247 HB THR 32 HB THR 32 -13.284 13.994 -7.584 248 HG1 THR 32 HG1 THR 32 -15.355 13.375 -8.025 249 HG21 THR 32 HG21 THR 32 -11.964 12.748 -9.253 250 HG22 THR 32 HG22 THR 32 -13.571 13.125 -9.868 251 HG23 THR 32 HG23 THR 32 -13.203 11.497 -9.296 252 H VAL 33 H VAL 33 -11.766 14.197 -5.456 253 HA VAL 33 HA VAL 33 -9.307 14.471 -6.655 254 HB VAL 33 HB VAL 33 -10.571 15.546 -4.149 255 HG11 VAL 33 HG11 VAL 33 -8.138 15.486 -3.842 256 HG12 VAL 33 HG12 VAL 33 -8.764 17.141 -4.172 257 HG13 VAL 33 HG13 VAL 33 -7.950 16.216 -5.453 258 HG21 VAL 33 HG21 VAL 33 -9.636 16.527 -6.671 259 HG22 VAL 33 HG22 VAL 33 -10.567 17.448 -5.445 260 HG23 VAL 33 HG23 VAL 33 -11.312 16.068 -6.350 261 H SER 34 H SER 34 -10.346 12.903 -3.709 262 HA SER 34 HA SER 34 -7.813 12.681 -3.122 263 HB2 SER 34 HB3 SER 34 -10.147 11.270 -1.933 264 HB3 SER 34 HB2 SER 34 -8.534 11.131 -1.214 265 HG SER 34 HG SER 34 -10.314 13.095 -0.935 266 H LEU 35 H LEU 35 -9.628 10.955 -5.292 267 HA LEU 35 HA LEU 35 -8.099 8.485 -5.279 268 HB2 LEU 35 HB3 LEU 35 -10.150 9.579 -7.212 269 HB3 LEU 35 HB2 LEU 35 -9.373 8.023 -7.389 270 HG LEU 35 HG LEU 35 -11.157 8.789 -5.076 271 HD11 LEU 35 HD11 LEU 35 -12.407 8.690 -7.171 272 HD12 LEU 35 HD12 LEU 35 -12.803 7.321 -6.133 273 HD13 LEU 35 HD13 LEU 35 -11.725 7.099 -7.511 274 HD21 LEU 35 HD21 LEU 35 -9.994 6.137 -5.930 275 HD22 LEU 35 HD22 LEU 35 -11.130 6.383 -4.605 276 HD23 LEU 35 HD23 LEU 35 -9.509 7.071 -4.515 277 H LYS 36 H LYS 36 -8.556 11.301 -7.487 278 HA LYS 36 HA LYS 36 -6.620 10.606 -9.299 279 HB2 LYS 36 HB3 LYS 36 -8.125 13.034 -8.678 280 HB3 LYS 36 HB2 LYS 36 -6.817 13.096 -9.856 281 HG2 LYS 36 HG3 LYS 36 -7.833 11.570 -11.254 282 HG3 LYS 36 HG2 LYS 36 -8.931 10.997 -9.985 283 HD2 LYS 36 HD3 LYS 36 -9.880 13.050 -9.891 284 HD3 LYS 36 HD2 LYS 36 -8.923 13.719 -11.231 285 HE2 LYS 36 HE3 LYS 36 -10.791 11.339 -11.379 286 HE3 LYS 36 HE2 LYS 36 -11.173 12.947 -11.982 287 HZ1 LYS 36 HZ1 LYS 36 -9.406 12.732 -13.620 288 HZ2 LYS 36 HZ2 LYS 36 -10.397 11.388 -13.750 289 HZ3 LYS 36 HZ3 LYS 36 -8.907 11.263 -12.986 290 H LEU 37 H LEU 37 -6.512 12.894 -6.589 291 HA LEU 37 HA LEU 37 -3.825 13.732 -7.221 292 HB2 LEU 37 HB3 LEU 37 -5.403 15.379 -6.567 293 HB3 LEU 37 HB2 LEU 37 -5.854 14.606 -5.109 294 HG LEU 37 HG LEU 37 -3.410 15.020 -4.449 295 HD11 LEU 37 HD11 LEU 37 -2.553 15.777 -6.448 296 HD12 LEU 37 HD12 LEU 37 -2.671 17.213 -5.390 297 HD13 LEU 37 HD13 LEU 37 -3.914 16.885 -6.631 298 HD21 LEU 37 HD21 LEU 37 -4.056 17.208 -3.531 299 HD22 LEU 37 HD22 LEU 37 -5.295 15.976 -3.300 300 HD23 LEU 37 HD23 LEU 37 -5.485 17.191 -4.564 301 H ASN 38 H ASN 38 -4.808 11.046 -6.103 302 HA ASN 38 HA ASN 38 -2.947 11.047 -3.907 303 HB2 ASN 38 HB3 ASN 38 -5.313 10.332 -3.496 304 HB3 ASN 38 HB2 ASN 38 -4.983 8.920 -4.483 305 HD21 ASN 38 HD21 ASN 38 -4.606 8.264 -0.839 306 HD22 ASN 38 HD22 ASN 38 -5.792 9.013 -1.856 307 H ASP 39 H ASP 39 -4.179 8.488 -6.124 308 HA ASP 39 HA ASP 39 -1.571 7.979 -7.265 309 HB2 ASP 39 HB3 ASP 39 -0.970 5.944 -6.208 310 HB3 ASP 39 HB2 ASP 39 -1.245 7.137 -4.946 311 H LYS 40 H LYS 40 -5.037 7.255 -7.299 312 HA LYS 40 HA LYS 40 -4.653 4.787 -8.726 313 HB2 LYS 40 HB3 LYS 40 -7.194 6.290 -8.185 314 HB3 LYS 40 HB2 LYS 40 -6.943 4.683 -8.715 315 HG2 LYS 40 HG3 LYS 40 -6.016 5.505 -5.977 316 HG3 LYS 40 HG2 LYS 40 -7.580 4.745 -6.293 317 HD2 LYS 40 HD3 LYS 40 -6.422 2.813 -7.289 318 HD3 LYS 40 HD2 LYS 40 -4.875 3.584 -6.960 319 HE2 LYS 40 HE3 LYS 40 -6.889 2.718 -4.880 320 HE3 LYS 40 HE2 LYS 40 -5.422 1.848 -5.306 321 HZ1 LYS 40 HZ1 LYS 40 -4.980 3.123 -3.339 322 HZ2 LYS 40 HZ2 LYS 40 -5.644 4.490 -4.008 323 HZ3 LYS 40 HZ3 LYS 40 -4.181 3.918 -4.604 324 H VAL 41 H VAL 41 -5.686 8.108 -9.168 325 HA VAL 41 HA VAL 41 -6.088 7.317 -11.929 326 HB VAL 41 HB VAL 41 -7.711 9.581 -11.127 327 HG11 VAL 41 HG11 VAL 41 -9.357 8.266 -12.296 328 HG12 VAL 41 HG12 VAL 41 -8.251 6.909 -12.003 329 HG13 VAL 41 HG13 VAL 41 -7.774 8.167 -13.176 330 HG21 VAL 41 HG21 VAL 41 -8.210 6.926 -9.931 331 HG22 VAL 41 HG22 VAL 41 -9.306 8.340 -9.781 332 HG23 VAL 41 HG23 VAL 41 -7.654 8.342 -9.065 333 H THR 42 H THR 42 -4.118 7.888 -12.078 334 HA THR 42 HA THR 42 -2.913 10.360 -11.690 335 HB THR 42 HB THR 42 -1.493 9.557 -13.767 336 HG1 THR 42 HG1 THR 42 -2.407 7.839 -14.613 337 HG21 THR 42 HG21 THR 42 -1.632 8.033 -11.155 338 HG22 THR 42 HG22 THR 42 -0.736 9.530 -11.426 339 HG23 THR 42 HG23 THR 42 -0.258 8.050 -12.261 340 H TRP 43 H TRP 43 -2.884 12.219 -12.702 341 HA TRP 43 HA TRP 43 -5.067 13.131 -14.131 342 HB2 TRP 43 HB3 TRP 43 -2.340 14.355 -13.918 343 HB3 TRP 43 HB2 TRP 43 -3.787 15.174 -14.470 344 HD1 TRP 43 HD1 TRP 43 -5.498 15.981 -12.624 345 HE1 TRP 43 HE1 TRP 43 -5.264 16.268 -10.084 346 HE3 TRP 43 HE3 TRP 43 -1.263 13.225 -11.888 347 HZ2 TRP 43 HZ2 TRP 43 -3.525 15.456 -8.056 348 HZ3 TRP 43 HZ3 TRP 43 -0.374 13.024 -9.606 349 HH2 TRP 43 HH2 TRP 43 -1.480 14.112 -7.729 350 H LYS 44 H LYS 44 -5.530 13.452 -16.146 351 HA LYS 44 HA LYS 44 -3.721 12.806 -18.278 352 HB2 LYS 44 HB3 LYS 44 -6.518 13.951 -18.205 353 HB3 LYS 44 HB2 LYS 44 -5.651 13.602 -19.685 354 HG2 LYS 44 HG3 LYS 44 -6.165 11.437 -17.670 355 HG3 LYS 44 HG2 LYS 44 -7.426 11.924 -18.789 356 HD2 LYS 44 HD3 LYS 44 -6.260 9.992 -19.677 357 HD3 LYS 44 HD2 LYS 44 -5.922 11.388 -20.683 358 HE2 LYS 44 HE3 LYS 44 -3.737 11.617 -19.711 359 HE3 LYS 44 HE2 LYS 44 -4.064 10.338 -18.540 360 HZ1 LYS 44 HZ1 LYS 44 -3.911 10.053 -21.490 361 HZ2 LYS 44 HZ2 LYS 44 -4.239 8.813 -20.400 362 HZ3 LYS 44 HZ3 LYS 44 -2.735 9.580 -20.379 363 H ASP 45 H ASP 45 -3.595 14.607 -20.024 364 HA ASP 45 HA ASP 45 -2.101 16.665 -18.841 365 HB2 ASP 45 HB3 ASP 45 -1.746 17.584 -21.066 366 HB3 ASP 45 HB2 ASP 45 -1.613 15.833 -21.115 367 H ASP 46 H ASP 46 -5.431 16.743 -19.947 368 HA ASP 46 HA ASP 46 -5.566 19.588 -19.646 369 HB2 ASP 46 HB3 ASP 46 -7.113 18.497 -21.190 370 HB3 ASP 46 HB2 ASP 46 -7.810 17.567 -19.870 371 H GLU 47 H GLU 47 -5.944 16.868 -17.605 372 HA GLU 47 HA GLU 47 -7.403 18.240 -15.540 373 HB2 GLU 47 HB3 GLU 47 -5.740 15.712 -15.317 374 HB3 GLU 47 HB2 GLU 47 -6.910 16.289 -14.138 375 HG2 GLU 47 HG3 GLU 47 -8.694 15.995 -15.791 376 HG3 GLU 47 HG2 GLU 47 -7.510 15.376 -16.938 377 H ILE 48 H ILE 48 -4.077 17.480 -16.256 378 HA ILE 48 HA ILE 48 -2.850 18.614 -13.990 379 HB ILE 48 HB ILE 48 -1.766 18.509 -16.832 380 HG12 ILE 48 HG13 ILE 48 -1.389 16.547 -14.553 381 HG13 ILE 48 HG12 ILE 48 -2.392 16.282 -15.971 382 HG21 ILE 48 HG21 ILE 48 -0.309 18.834 -14.205 383 HG22 ILE 48 HG22 ILE 48 -0.519 20.073 -15.438 384 HG23 ILE 48 HG23 ILE 48 0.456 18.643 -15.781 385 HD11 ILE 48 HD11 ILE 48 0.596 16.625 -15.958 386 HD12 ILE 48 HD12 ILE 48 -0.401 16.351 -17.389 387 HD13 ILE 48 HD13 ILE 48 -0.278 15.106 -16.146 388 H LEU 49 H LEU 49 -3.770 20.009 -17.184 389 HA LEU 49 HA LEU 49 -2.697 22.494 -16.904 390 HB2 LEU 49 HB3 LEU 49 -3.331 21.498 -18.980 391 HB3 LEU 49 HB2 LEU 49 -4.984 21.318 -18.441 392 HG LEU 49 HG LEU 49 -5.194 23.631 -18.331 393 HD11 LEU 49 HD11 LEU 49 -3.530 25.106 -19.574 394 HD12 LEU 49 HD12 LEU 49 -2.472 23.697 -19.689 395 HD13 LEU 49 HD13 LEU 49 -2.871 24.371 -18.111 396 HD21 LEU 49 HD21 LEU 49 -4.440 22.542 -21.028 397 HD22 LEU 49 HD22 LEU 49 -5.335 24.040 -20.797 398 HD23 LEU 49 HD23 LEU 49 -6.027 22.511 -20.256 399 H LYS 50 H LYS 50 -5.896 21.192 -16.066 400 HA LYS 50 HA LYS 50 -6.997 23.623 -15.302 401 HB2 LYS 50 HB3 LYS 50 -7.756 20.884 -15.097 402 HB3 LYS 50 HB2 LYS 50 -8.388 21.910 -13.798 403 HG2 LYS 50 HG3 LYS 50 -9.898 21.968 -15.596 404 HG3 LYS 50 HG2 LYS 50 -9.139 23.525 -15.464 405 HD2 LYS 50 HD3 LYS 50 -7.585 22.909 -17.305 406 HD3 LYS 50 HD2 LYS 50 -8.454 21.386 -17.482 407 HE2 LYS 50 HE3 LYS 50 -10.510 22.631 -17.972 408 HE3 LYS 50 HE2 LYS 50 -9.608 24.137 -17.803 409 HZ1 LYS 50 HZ1 LYS 50 -9.915 23.350 -20.135 410 HZ2 LYS 50 HZ2 LYS 50 -8.894 22.041 -19.773 411 HZ3 LYS 50 HZ3 LYS 50 -8.318 23.609 -19.679 412 H ALA 51 H ALA 51 -5.156 21.261 -13.455 413 HA ALA 51 HA ALA 51 -5.488 22.519 -10.931 414 HB1 ALA 51 HB1 ALA 51 -3.513 21.218 -10.239 415 HB2 ALA 51 HB2 ALA 51 -3.178 20.827 -11.926 416 HB3 ALA 51 HB3 ALA 51 -4.636 20.209 -11.153 417 H VAL 52 H VAL 52 -3.091 22.792 -13.474 418 HA VAL 52 HA VAL 52 -1.348 24.722 -12.433 419 HB VAL 52 HB VAL 52 -2.257 24.286 -15.304 420 HG11 VAL 52 HG11 VAL 52 0.157 25.791 -14.304 421 HG12 VAL 52 HG12 VAL 52 -1.267 26.493 -15.071 422 HG13 VAL 52 HG13 VAL 52 -0.212 25.413 -15.985 423 HG21 VAL 52 HG21 VAL 52 0.166 23.323 -13.819 424 HG22 VAL 52 HG22 VAL 52 -0.178 23.060 -15.534 425 HG23 VAL 52 HG23 VAL 52 -1.220 22.347 -14.303 426 H HIS 53 H HIS 53 -4.460 25.111 -13.970 427 HA HIS 53 HA HIS 53 -4.384 27.938 -14.279 428 HB2 HIS 53 HB3 HIS 53 -5.862 26.241 -15.435 429 HB3 HIS 53 HB2 HIS 53 -6.839 26.242 -13.990 430 HD1 HIS 53 HD1 HIS 53 -8.703 27.946 -13.889 431 HD2 HIS 53 HD2 HIS 53 -5.732 29.009 -16.600 432 HE1 HIS 53 HE1 HIS 53 -9.498 30.036 -14.973 433 H VAL 54 H VAL 54 -5.317 25.839 -11.714 434 HA VAL 54 HA VAL 54 -6.798 27.892 -10.253 435 HB VAL 54 HB VAL 54 -6.177 24.991 -9.582 436 HG11 VAL 54 HG11 VAL 54 -6.421 26.248 -7.535 437 HG12 VAL 54 HG12 VAL 54 -7.827 25.213 -7.773 438 HG13 VAL 54 HG13 VAL 54 -7.943 26.945 -8.100 439 HG21 VAL 54 HG21 VAL 54 -7.733 25.258 -11.441 440 HG22 VAL 54 HG22 VAL 54 -8.757 26.297 -10.447 441 HG23 VAL 54 HG23 VAL 54 -8.546 24.600 -10.021 442 H LEU 55 H LEU 55 -4.002 25.801 -9.784 443 HA LEU 55 HA LEU 55 -3.093 26.880 -7.404 444 HB2 LEU 55 HB3 LEU 55 -2.239 25.078 -9.567 445 HB3 LEU 55 HB2 LEU 55 -1.088 25.570 -8.392 446 HG LEU 55 HG LEU 55 -2.431 23.353 -8.220 447 HD11 LEU 55 HD11 LEU 55 -0.799 24.104 -6.560 448 HD12 LEU 55 HD12 LEU 55 -2.203 23.429 -5.733 449 HD13 LEU 55 HD13 LEU 55 -1.998 25.178 -5.842 450 HD21 LEU 55 HD21 LEU 55 -4.337 25.233 -6.828 451 HD22 LEU 55 HD22 LEU 55 -4.370 23.482 -6.679 452 HD23 LEU 55 HD23 LEU 55 -4.670 24.236 -8.244 453 H GLU 56 H GLU 56 -2.712 27.774 -10.710 454 HA GLU 56 HA GLU 56 -1.445 29.110 -11.894 455 HB2 GLU 56 HB3 GLU 56 -0.844 30.534 -9.290 456 HB3 GLU 56 HB2 GLU 56 -0.397 31.135 -10.879 457 HG2 GLU 56 HG3 GLU 56 -2.768 31.244 -11.484 458 HG3 GLU 56 HG2 GLU 56 -3.192 30.676 -9.869 459 H LEU 57 H LEU 57 -0.384 27.292 -12.248 460 HA LEU 57 HA LEU 57 2.386 27.286 -11.321 461 HB2 LEU 57 HB3 LEU 57 0.734 25.159 -12.475 462 HB3 LEU 57 HB2 LEU 57 2.423 24.915 -12.082 463 HG LEU 57 HG LEU 57 0.130 25.359 -10.150 464 HD11 LEU 57 HD11 LEU 57 0.202 23.118 -11.066 465 HD12 LEU 57 HD12 LEU 57 0.664 23.106 -9.363 466 HD13 LEU 57 HD13 LEU 57 1.900 22.965 -10.612 467 HD21 LEU 57 HD21 LEU 57 3.078 25.018 -9.561 468 HD22 LEU 57 HD22 LEU 57 1.790 25.014 -8.358 469 HD23 LEU 57 HD23 LEU 57 2.117 26.475 -9.284 470 H ASN 58 H ASN 58 3.568 25.929 -13.315 471 HA ASN 58 HA ASN 58 2.812 27.362 -15.750 472 HB2 ASN 58 HB3 ASN 58 4.683 28.436 -14.693 473 HB3 ASN 58 HB2 ASN 58 5.531 26.914 -14.519 474 HD21 ASN 58 HD21 ASN 58 5.623 29.023 -17.930 475 HD22 ASN 58 HD22 ASN 58 4.544 29.410 -16.634 476 HA PRO 59 HA PRO 59 2.798 23.279 -17.507 477 HB2 PRO 59 HB3 PRO 59 3.571 23.923 -20.100 478 HB3 PRO 59 HB2 PRO 59 1.921 23.965 -19.482 479 HG2 PRO 59 HG3 PRO 59 3.858 26.186 -19.873 480 HG3 PRO 59 HG2 PRO 59 2.096 26.185 -20.053 481 HD2 PRO 59 HD3 PRO 59 3.355 27.277 -17.924 482 HD3 PRO 59 HD2 PRO 59 1.744 26.539 -17.809 483 H GLN 60 H GLN 60 5.700 25.225 -17.677 484 HA GLN 60 HA GLN 60 7.292 22.975 -18.565 485 HB2 GLN 60 HB3 GLN 60 7.917 25.816 -17.955 486 HB3 GLN 60 HB2 GLN 60 9.181 24.619 -18.189 487 HG2 GLN 60 HG3 GLN 60 8.845 25.759 -20.122 488 HG3 GLN 60 HG2 GLN 60 8.268 24.127 -20.415 489 HE21 GLN 60 HE21 GLN 60 5.508 25.617 -21.958 490 HE22 GLN 60 HE22 GLN 60 6.943 24.678 -22.118 491 H ASP 61 H ASP 61 6.357 24.531 -15.786 492 HA ASP 61 HA ASP 61 8.472 23.569 -14.003 493 HB2 ASP 61 HB3 ASP 61 6.828 25.700 -13.805 494 HB3 ASP 61 HB2 ASP 61 5.880 24.494 -12.907 495 H ILE 62 H ILE 62 5.906 22.234 -15.457 496 HA ILE 62 HA ILE 62 4.537 20.738 -13.611 497 HB ILE 62 HB ILE 62 4.958 20.286 -16.535 498 HG12 ILE 62 HG13 ILE 62 3.622 22.181 -15.943 499 HG13 ILE 62 HG12 ILE 62 2.574 20.931 -16.611 500 HG21 ILE 62 HG21 ILE 62 3.190 18.583 -16.520 501 HG22 ILE 62 HG22 ILE 62 3.186 18.606 -14.757 502 HG23 ILE 62 HG23 ILE 62 4.616 18.053 -15.628 503 HD11 ILE 62 HD11 ILE 62 1.944 20.321 -14.286 504 HD12 ILE 62 HD12 ILE 62 1.483 21.943 -14.773 505 HD13 ILE 62 HD13 ILE 62 2.862 21.723 -13.710 506 HA PRO 63 HA PRO 63 7.249 16.802 -14.400 507 HB2 PRO 63 HB3 PRO 63 9.930 17.127 -14.658 508 HB3 PRO 63 HB2 PRO 63 8.811 17.092 -16.026 509 HG2 PRO 63 HG3 PRO 63 10.002 19.453 -14.646 510 HG3 PRO 63 HG2 PRO 63 9.864 19.130 -16.383 511 HD2 PRO 63 HD3 PRO 63 8.194 20.713 -15.025 512 HD3 PRO 63 HD2 PRO 63 7.627 19.766 -16.441 513 H LYS 64 H LYS 64 8.104 19.499 -12.694 514 HA LYS 64 HA LYS 64 9.688 18.282 -10.631 515 HB2 LYS 64 HB3 LYS 64 8.244 20.913 -10.450 516 HB3 LYS 64 HB2 LYS 64 9.722 20.425 -9.634 517 HG2 LYS 64 HG3 LYS 64 10.824 20.358 -11.960 518 HG3 LYS 64 HG2 LYS 64 9.337 21.046 -12.533 519 HD2 LYS 64 HD3 LYS 64 9.541 22.980 -11.168 520 HD3 LYS 64 HD2 LYS 64 10.984 22.328 -10.389 521 HE2 LYS 64 HE3 LYS 64 12.204 22.446 -12.457 522 HE3 LYS 64 HE2 LYS 64 10.749 22.932 -13.328 523 HZ1 LYS 64 HZ1 LYS 64 10.659 24.919 -12.035 524 HZ2 LYS 64 HZ2 LYS 64 12.173 24.823 -12.817 525 HZ3 LYS 64 HZ3 LYS 64 12.042 24.494 -11.167 526 H TYR 65 H TYR 65 6.325 19.173 -11.148 527 HA TYR 65 HA TYR 65 5.566 18.335 -8.477 528 HB2 TYR 65 HB3 TYR 65 3.974 19.638 -10.707 529 HB3 TYR 65 HB2 TYR 65 3.331 19.133 -9.144 530 HD1 TYR 65 HD1 TYR 65 3.876 20.259 -7.168 531 HD2 TYR 65 HD2 TYR 65 5.373 21.724 -10.869 532 HE1 TYR 65 HE1 TYR 65 4.439 22.395 -6.091 533 HE2 TYR 65 HE2 TYR 65 5.932 23.842 -9.816 534 HH TYR 65 HH TYR 65 5.884 24.219 -6.370 535 H PHE 66 H PHE 66 4.698 17.684 -11.872 536 HA PHE 66 HA PHE 66 3.679 15.057 -11.044 537 HB2 PHE 66 HB3 PHE 66 2.623 16.659 -13.386 538 HB3 PHE 66 HB2 PHE 66 1.933 15.221 -12.675 539 HD1 PHE 66 HD1 PHE 66 0.618 15.401 -10.604 540 HD2 PHE 66 HD2 PHE 66 2.199 18.830 -12.556 541 HE1 PHE 66 HE1 PHE 66 -0.969 16.831 -9.387 542 HE2 PHE 66 HE2 PHE 66 0.624 20.266 -11.335 543 HZ PHE 66 HZ PHE 66 -0.966 19.266 -9.750 544 H PHE 67 H PHE 67 5.742 14.085 -11.888 545 HA PHE 67 HA PHE 67 5.979 14.471 -14.797 546 HB2 PHE 67 HB3 PHE 67 8.119 14.895 -13.484 547 HB3 PHE 67 HB2 PHE 67 8.117 13.186 -13.067 548 HD1 PHE 67 HD1 PHE 67 9.491 11.853 -14.284 549 HD2 PHE 67 HD2 PHE 67 7.748 15.249 -16.150 550 HE1 PHE 67 HE1 PHE 67 10.676 11.310 -16.366 551 HE2 PHE 67 HE2 PHE 67 8.940 14.718 -18.238 552 HZ PHE 67 HZ PHE 67 10.404 12.738 -18.342 553 H ASN 68 H ASN 68 6.977 11.676 -12.795 554 HA ASN 68 HA ASN 68 5.234 10.006 -14.373 555 HB2 ASN 68 HB3 ASN 68 7.234 9.430 -12.200 556 HB3 ASN 68 HB2 ASN 68 6.231 8.227 -12.986 557 HD21 ASN 68 HD21 ASN 68 8.154 8.172 -15.922 558 HD22 ASN 68 HD22 ASN 68 6.634 7.781 -15.219 559 H ALA 69 H ALA 69 5.984 10.287 -11.055 560 HA ALA 69 HA ALA 69 4.804 10.243 -9.135 561 HB1 ALA 69 HB1 ALA 69 2.570 11.407 -10.810 562 HB2 ALA 69 HB2 ALA 69 3.873 12.323 -10.052 563 HB3 ALA 69 HB3 ALA 69 2.697 11.461 -9.046 564 H LYS 70 H LYS 70 4.769 8.175 -11.055 565 HA LYS 70 HA LYS 70 3.315 6.092 -9.864 566 HB2 LYS 70 HB3 LYS 70 1.455 7.446 -11.063 567 HB3 LYS 70 HB2 LYS 70 2.273 7.034 -12.559 568 HG2 LYS 70 HG3 LYS 70 0.480 5.515 -12.320 569 HG3 LYS 70 HG2 LYS 70 1.947 4.617 -11.923 570 HD2 LYS 70 HD3 LYS 70 1.516 4.906 -9.554 571 HD3 LYS 70 HD2 LYS 70 0.095 5.889 -9.913 572 HE2 LYS 70 HE3 LYS 70 -0.889 3.940 -11.078 573 HE3 LYS 70 HE2 LYS 70 0.502 2.983 -10.570 574 HZ1 LYS 70 HZ1 LYS 70 -1.444 4.318 -8.776 575 HZ2 LYS 70 HZ2 LYS 70 -0.090 3.449 -8.275 576 HZ3 LYS 70 HZ3 LYS 70 -1.341 2.655 -9.067 577 H VAL 71 H VAL 71 4.572 4.356 -10.600 578 HA VAL 71 HA VAL 71 5.533 4.486 -13.240 579 HB VAL 71 HB VAL 71 7.217 5.904 -12.253 580 HG11 VAL 71 HG11 VAL 71 7.157 5.176 -9.981 581 HG12 VAL 71 HG12 VAL 71 8.819 5.155 -10.588 582 HG13 VAL 71 HG13 VAL 71 7.913 3.643 -10.426 583 HG21 VAL 71 HG21 VAL 71 9.255 4.750 -12.980 584 HG22 VAL 71 HG22 VAL 71 7.919 4.485 -14.097 585 HG23 VAL 71 HG23 VAL 71 8.384 3.217 -12.961 586 H HIS 72 H HIS 72 4.120 2.813 -13.187 587 HA HIS 72 HA HIS 72 5.409 0.341 -13.405 588 HB2 HIS 72 HB3 HIS 72 5.086 0.437 -10.879 589 HB3 HIS 72 HB2 HIS 72 3.353 0.487 -11.168 590 HD1 HIS 72 HD1 HIS 72 6.322 -1.796 -11.742 591 HD2 HIS 72 HD2 HIS 72 2.192 -1.978 -11.398 592 HE1 HIS 72 HE1 HIS 72 5.760 -4.235 -11.663 Start of MODEL 2 1 H GLY -1 H GLY -1 0.386 0.427 1.319 2 HA2 GLY -1 HA2 GLY -1 -0.168 2.578 2.225 3 HA3 GLY -1 HA3 GLY -1 1.497 2.520 1.662 4 H SER 0 H SER 0 1.940 3.405 -0.255 5 HA SER 0 HA SER 0 -0.173 3.849 -2.192 6 HB2 SER 0 HB3 SER 0 -0.042 5.847 -0.661 7 HB3 SER 0 HB2 SER 0 1.641 6.040 -1.134 8 HG SER 0 HG SER 0 0.784 6.282 -3.366 9 H MET 1 H MET 1 0.651 3.450 -4.201 10 HA MET 1 HA MET 1 3.566 3.252 -4.462 11 HB2 MET 1 HB3 MET 1 1.362 2.088 -6.185 12 HB3 MET 1 HB2 MET 1 3.069 1.976 -6.554 13 HG2 MET 1 HG3 MET 1 3.417 0.689 -4.490 14 HG3 MET 1 HG2 MET 1 1.690 0.788 -4.160 15 HE1 MET 1 HE1 MET 1 3.511 -1.474 -7.771 16 HE2 MET 1 HE2 MET 1 4.464 -0.595 -6.575 17 HE3 MET 1 HE3 MET 1 3.429 0.284 -7.697 18 H SER 2 H SER 2 4.000 3.569 -7.036 19 HA SER 2 HA SER 2 4.198 4.921 -8.787 20 HB2 SER 2 HB3 SER 2 1.572 6.119 -7.865 21 HB3 SER 2 HB2 SER 2 2.347 6.468 -9.411 22 HG SER 2 HG SER 2 1.776 3.816 -8.621 23 H TYR 3 H TYR 3 3.815 7.607 -9.176 24 HA TYR 3 HA TYR 3 6.052 8.730 -8.060 25 HB2 TYR 3 HB3 TYR 3 3.644 9.909 -9.388 26 HB3 TYR 3 HB2 TYR 3 4.984 10.899 -8.843 27 HD1 TYR 3 HD1 TYR 3 4.043 8.193 -11.198 28 HD2 TYR 3 HD2 TYR 3 6.955 11.068 -10.099 29 HE1 TYR 3 HE1 TYR 3 5.183 7.870 -13.365 30 HE2 TYR 3 HE2 TYR 3 8.085 10.793 -12.224 31 HH TYR 3 HH TYR 3 6.691 9.178 -14.860 32 H ASP 4 H ASP 4 6.483 10.034 -6.423 33 HA ASP 4 HA ASP 4 4.479 10.301 -4.304 34 HB2 ASP 4 HB3 ASP 4 6.541 9.222 -3.625 35 HB3 ASP 4 HB2 ASP 4 7.503 10.531 -4.290 36 H TYR 5 H TYR 5 3.373 12.089 -4.551 37 HA TYR 5 HA TYR 5 4.398 14.406 -5.968 38 HB2 TYR 5 HB3 TYR 5 1.704 14.027 -4.673 39 HB3 TYR 5 HB2 TYR 5 2.134 15.196 -5.913 40 HD1 TYR 5 HD1 TYR 5 2.997 14.171 -8.146 41 HD2 TYR 5 HD2 TYR 5 0.709 12.045 -5.281 42 HE1 TYR 5 HE1 TYR 5 2.302 12.566 -9.893 43 HE2 TYR 5 HE2 TYR 5 0.006 10.437 -6.998 44 HH TYR 5 HH TYR 5 -0.242 10.361 -9.395 45 H SER 6 H SER 6 5.594 14.008 -3.292 46 HA SER 6 HA SER 6 4.278 15.526 -1.343 47 HB2 SER 6 HB3 SER 6 7.220 14.864 -1.529 48 HB3 SER 6 HB2 SER 6 6.414 15.506 -0.093 49 HG SER 6 HG SER 6 6.334 12.993 -1.258 50 H SER 7 H SER 7 6.656 16.679 -3.769 51 HA SER 7 HA SER 7 6.904 19.260 -2.630 52 HB2 SER 7 HB3 SER 7 7.285 18.371 -5.494 53 HB3 SER 7 HB2 SER 7 7.760 19.952 -4.869 54 HG SER 7 HG SER 7 8.690 17.978 -3.294 55 H LEU 8 H LEU 8 4.490 17.857 -4.713 56 HA LEU 8 HA LEU 8 3.281 20.366 -5.435 57 HB2 LEU 8 HB3 LEU 8 3.110 18.401 -6.861 58 HB3 LEU 8 HB2 LEU 8 2.336 17.531 -5.577 59 HG LEU 8 HG LEU 8 0.335 18.803 -5.734 60 HD11 LEU 8 HD11 LEU 8 1.760 20.553 -7.744 61 HD12 LEU 8 HD12 LEU 8 1.223 20.988 -6.108 62 HD13 LEU 8 HD13 LEU 8 0.034 20.610 -7.351 63 HD21 LEU 8 HD21 LEU 8 0.534 17.021 -7.282 64 HD22 LEU 8 HD22 LEU 8 1.420 18.071 -8.406 65 HD23 LEU 8 HD23 LEU 8 -0.299 18.371 -8.078 66 H LEU 9 H LEU 9 2.611 17.783 -3.188 67 HA LEU 9 HA LEU 9 0.316 18.734 -2.190 68 HB2 LEU 9 HB3 LEU 9 2.530 17.120 -1.025 69 HB3 LEU 9 HB2 LEU 9 1.053 17.411 -0.158 70 HG LEU 9 HG LEU 9 1.255 15.989 -2.824 71 HD11 LEU 9 HD11 LEU 9 0.796 14.880 -0.058 72 HD12 LEU 9 HD12 LEU 9 2.247 14.675 -1.037 73 HD13 LEU 9 HD13 LEU 9 0.723 13.967 -1.564 74 HD21 LEU 9 HD21 LEU 9 -1.078 15.345 -2.400 75 HD22 LEU 9 HD22 LEU 9 -0.907 17.086 -2.556 76 HD23 LEU 9 HD23 LEU 9 -1.095 16.360 -0.958 77 H GLY 10 H GLY 10 3.617 19.722 -1.471 78 HA2 GLY 10 HA3 GLY 10 3.194 21.193 0.897 79 HA3 GLY 10 HA2 GLY 10 4.486 21.482 -0.262 80 H LYS 11 H LYS 11 3.100 22.221 -2.536 81 HA LYS 11 HA LYS 11 2.490 24.903 -2.156 82 HB2 LYS 11 HB3 LYS 11 2.068 22.893 -4.327 83 HB3 LYS 11 HB2 LYS 11 1.434 24.517 -4.459 84 HG2 LYS 11 HG3 LYS 11 4.312 23.881 -3.992 85 HG3 LYS 11 HG2 LYS 11 3.610 24.122 -5.599 86 HD2 LYS 11 HD3 LYS 11 2.874 26.368 -4.908 87 HD3 LYS 11 HD2 LYS 11 3.636 26.141 -3.343 88 HE2 LYS 11 HE3 LYS 11 5.002 26.188 -6.027 89 HE3 LYS 11 HE2 LYS 11 5.055 27.459 -4.809 90 HZ1 LYS 11 HZ1 LYS 11 7.040 26.160 -4.770 91 HZ2 LYS 11 HZ2 LYS 11 6.207 24.733 -4.576 92 HZ3 LYS 11 HZ3 LYS 11 6.220 25.881 -3.333 93 H ILE 12 H ILE 12 0.587 22.041 -2.581 94 HA ILE 12 HA ILE 12 -1.942 23.171 -2.734 95 HB ILE 12 HB ILE 12 -1.085 20.447 -1.754 96 HG12 ILE 12 HG13 ILE 12 -2.214 21.385 -4.392 97 HG13 ILE 12 HG12 ILE 12 -0.515 21.057 -4.076 98 HG21 ILE 12 HG21 ILE 12 -3.427 19.755 -2.156 99 HG22 ILE 12 HG22 ILE 12 -3.842 21.446 -2.458 100 HG23 ILE 12 HG23 ILE 12 -3.299 20.946 -0.858 101 HD11 ILE 12 HD11 ILE 12 -2.735 19.054 -3.898 102 HD12 ILE 12 HD12 ILE 12 -1.001 18.726 -3.733 103 HD13 ILE 12 HD13 ILE 12 -1.665 19.264 -5.274 104 H THR 13 H THR 13 -0.253 21.904 0.153 105 HA THR 13 HA THR 13 -2.288 22.452 1.972 106 HB THR 13 HB THR 13 0.665 22.565 2.497 107 HG1 THR 13 HG1 THR 13 -0.677 20.223 3.100 108 HG21 THR 13 HG21 THR 13 -1.697 21.866 4.258 109 HG22 THR 13 HG22 THR 13 -0.729 23.327 4.353 110 HG23 THR 13 HG23 THR 13 -0.006 21.763 4.765 111 H GLU 14 H GLU 14 0.227 24.517 0.659 112 HA GLU 14 HA GLU 14 -0.283 26.506 2.609 113 HB2 GLU 14 HB3 GLU 14 1.478 26.189 0.369 114 HB3 GLU 14 HB2 GLU 14 1.434 27.797 1.151 115 HG2 GLU 14 HG3 GLU 14 2.014 26.509 3.267 116 HG3 GLU 14 HG2 GLU 14 2.256 25.096 2.240 117 H LYS 15 H LYS 15 -1.294 25.988 -0.738 118 HA LYS 15 HA LYS 15 -2.153 28.710 -1.029 119 HB2 LYS 15 HB3 LYS 15 -1.424 26.481 -2.604 120 HB3 LYS 15 HB2 LYS 15 -3.015 27.049 -3.072 121 HG2 LYS 15 HG3 LYS 15 -1.254 28.128 -4.400 122 HG3 LYS 15 HG2 LYS 15 -1.958 29.333 -3.317 123 HD2 LYS 15 HD3 LYS 15 -0.113 28.879 -1.703 124 HD3 LYS 15 HD2 LYS 15 0.594 27.795 -2.887 125 HE2 LYS 15 HE3 LYS 15 1.673 29.953 -2.997 126 HE3 LYS 15 HE2 LYS 15 0.770 29.572 -4.468 127 HZ1 LYS 15 HZ1 LYS 15 -0.981 31.067 -3.783 128 HZ2 LYS 15 HZ2 LYS 15 0.463 31.898 -3.735 129 HZ3 LYS 15 HZ3 LYS 15 -0.227 31.366 -2.307 130 H CYS 16 H CYS 16 -3.444 25.458 -0.652 131 HA CYS 16 HA CYS 16 -6.100 26.534 -0.843 132 HB2 CYS 16 HB3 CYS 16 -4.880 23.859 -1.426 133 HB3 CYS 16 HB2 CYS 16 -6.592 24.214 -1.489 134 HG CYS 16 HG CYS 16 -6.321 26.080 -3.576 135 H GLY 17 H GLY 17 -4.018 24.066 0.615 136 HA2 GLY 17 HA3 GLY 17 -4.180 24.229 3.175 137 HA3 GLY 17 HA2 GLY 17 -5.865 24.042 2.817 138 H THR 18 H THR 18 -6.206 22.224 1.183 139 HA THR 18 HA THR 18 -4.784 19.806 2.016 140 HB THR 18 HB THR 18 -6.982 18.737 2.503 141 HG1 THR 18 HG1 THR 18 -8.481 20.819 3.048 142 HG21 THR 18 HG21 THR 18 -7.356 19.870 4.704 143 HG22 THR 18 HG22 THR 18 -6.292 21.174 4.122 144 HG23 THR 18 HG23 THR 18 -5.643 19.559 4.365 145 H GLN 19 H GLN 19 -6.022 17.888 0.784 146 HA GLN 19 HA GLN 19 -5.899 18.481 -1.997 147 HB2 GLN 19 HB3 GLN 19 -6.925 15.996 -0.586 148 HB3 GLN 19 HB2 GLN 19 -6.571 16.125 -2.298 149 HG2 GLN 19 HG3 GLN 19 -4.226 16.465 -1.839 150 HG3 GLN 19 HG2 GLN 19 -4.548 16.485 -0.109 151 HE21 GLN 19 HE21 GLN 19 -4.250 12.988 -2.129 152 HE22 GLN 19 HE22 GLN 19 -4.305 14.484 -2.947 153 H TYR 20 H TYR 20 -8.359 18.211 0.405 154 HA TYR 20 HA TYR 20 -10.731 18.180 -1.069 155 HB2 TYR 20 HB3 TYR 20 -10.580 18.055 1.389 156 HB3 TYR 20 HB2 TYR 20 -10.058 19.703 1.433 157 HD1 TYR 20 HD1 TYR 20 -12.961 17.758 0.147 158 HD2 TYR 20 HD2 TYR 20 -11.565 21.388 1.807 159 HE1 TYR 20 HE1 TYR 20 -15.267 18.566 0.267 160 HE2 TYR 20 HE2 TYR 20 -13.879 22.228 1.937 161 HH TYR 20 HH TYR 20 -15.985 21.775 0.741 162 H ASN 21 H ASN 21 -9.095 20.887 0.321 163 HA ASN 21 HA ASN 21 -10.522 22.931 -0.938 164 HB2 ASN 21 HB3 ASN 21 -7.704 22.928 0.099 165 HB3 ASN 21 HB2 ASN 21 -8.549 24.367 -0.420 166 HD21 ASN 21 HD21 ASN 21 -8.707 23.913 3.310 167 HD22 ASN 21 HD22 ASN 21 -7.480 24.013 2.133 168 H PHE 22 H PHE 22 -7.578 21.348 -1.870 169 HA PHE 22 HA PHE 22 -6.798 22.717 -4.175 170 HB2 PHE 22 HB3 PHE 22 -5.675 20.769 -2.980 171 HB3 PHE 22 HB2 PHE 22 -6.814 19.753 -3.780 172 HD1 PHE 22 HD1 PHE 22 -4.717 22.559 -5.069 173 HD2 PHE 22 HD2 PHE 22 -5.829 18.478 -5.373 174 HE1 PHE 22 HE1 PHE 22 -3.236 22.296 -7.022 175 HE2 PHE 22 HE2 PHE 22 -4.362 18.208 -7.322 176 HZ PHE 22 HZ PHE 22 -3.060 20.119 -8.148 177 H ALA 23 H ALA 23 -8.854 19.928 -3.801 178 HA ALA 23 HA ALA 23 -9.695 19.532 -6.392 179 HB1 ALA 23 HB1 ALA 23 -11.321 19.083 -3.890 180 HB2 ALA 23 HB2 ALA 23 -10.152 17.959 -4.571 181 HB3 ALA 23 HB3 ALA 23 -11.626 18.346 -5.462 182 H ILE 24 H ILE 24 -11.158 21.551 -3.849 183 HA ILE 24 HA ILE 24 -13.416 22.467 -5.116 184 HB ILE 24 HB ILE 24 -11.625 23.985 -3.226 185 HG12 ILE 24 HG13 ILE 24 -12.227 21.792 -2.304 186 HG13 ILE 24 HG12 ILE 24 -12.986 23.096 -1.460 187 HG21 ILE 24 HG21 ILE 24 -13.269 25.430 -4.272 188 HG22 ILE 24 HG22 ILE 24 -13.666 25.176 -2.573 189 HG23 ILE 24 HG23 ILE 24 -14.561 24.314 -3.825 190 HD11 ILE 24 HD11 ILE 24 -14.301 21.307 -3.486 191 HD12 ILE 24 HD12 ILE 24 -15.090 22.619 -2.595 192 HD13 ILE 24 HD13 ILE 24 -14.462 21.212 -1.731 193 H ALA 25 H ALA 25 -10.181 23.899 -4.985 194 HA ALA 25 HA ALA 25 -10.731 26.150 -6.582 195 HB1 ALA 25 HB1 ALA 25 -8.353 26.489 -6.641 196 HB2 ALA 25 HB2 ALA 25 -8.066 24.829 -6.113 197 HB3 ALA 25 HB3 ALA 25 -8.835 25.983 -5.020 198 H MET 26 H MET 26 -9.643 22.938 -7.398 199 HA MET 26 HA MET 26 -9.021 23.551 -10.136 200 HB2 MET 26 HB3 MET 26 -9.530 20.915 -8.771 201 HB3 MET 26 HB2 MET 26 -9.066 21.062 -10.455 202 HG2 MET 26 HG3 MET 26 -6.967 22.124 -9.754 203 HG3 MET 26 HG2 MET 26 -7.442 21.913 -8.071 204 HE1 MET 26 HE1 MET 26 -7.989 19.397 -11.113 205 HE2 MET 26 HE2 MET 26 -6.524 18.425 -10.964 206 HE3 MET 26 HE3 MET 26 -6.410 20.129 -11.401 207 H GLY 27 H GLY 27 -11.816 22.389 -8.427 208 HA2 GLY 27 HA3 GLY 27 -14.028 22.743 -9.280 209 HA3 GLY 27 HA2 GLY 27 -13.377 22.609 -10.912 210 H LEU 28 H LEU 28 -12.226 20.445 -8.549 211 HA LEU 28 HA LEU 28 -13.746 18.231 -9.752 212 HB2 LEU 28 HB3 LEU 28 -10.928 18.378 -8.734 213 HB3 LEU 28 HB2 LEU 28 -11.789 16.857 -8.707 214 HG LEU 28 HG LEU 28 -12.041 16.973 -11.158 215 HD11 LEU 28 HD11 LEU 28 -12.019 19.335 -11.402 216 HD12 LEU 28 HD12 LEU 28 -10.785 18.598 -12.445 217 HD13 LEU 28 HD13 LEU 28 -10.321 19.415 -10.935 218 HD21 LEU 28 HD21 LEU 28 -9.700 16.525 -11.706 219 HD22 LEU 28 HD22 LEU 28 -10.176 15.757 -10.193 220 HD23 LEU 28 HD23 LEU 28 -9.207 17.230 -10.168 221 H SER 29 H SER 29 -13.806 16.388 -8.270 222 HA SER 29 HA SER 29 -14.915 17.320 -5.734 223 HB2 SER 29 HB3 SER 29 -16.162 15.722 -7.305 224 HB3 SER 29 HB2 SER 29 -14.961 14.510 -6.878 225 HG SER 29 HG SER 29 -16.991 15.661 -5.377 226 H GLU 30 H GLU 30 -14.266 16.246 -3.741 227 HA GLU 30 HA GLU 30 -11.517 16.399 -3.356 228 HB2 GLU 30 HB3 GLU 30 -13.206 16.818 -1.616 229 HB3 GLU 30 HB2 GLU 30 -13.609 15.120 -1.588 230 HG2 GLU 30 HG3 GLU 30 -10.813 16.002 -0.923 231 HG3 GLU 30 HG2 GLU 30 -12.075 16.105 0.288 232 H ARG 31 H ARG 31 -13.571 13.524 -3.398 233 HA ARG 31 HA ARG 31 -11.407 11.771 -3.036 234 HB2 ARG 31 HB3 ARG 31 -14.214 11.496 -3.287 235 HB3 ARG 31 HB2 ARG 31 -13.461 10.382 -4.422 236 HG2 ARG 31 HG3 ARG 31 -12.823 10.549 -1.479 237 HG3 ARG 31 HG2 ARG 31 -13.868 9.360 -2.264 238 HD2 ARG 31 HD3 ARG 31 -12.081 8.405 -3.461 239 HD3 ARG 31 HD2 ARG 31 -10.998 9.736 -3.075 240 HE ARG 31 HE ARG 31 -11.410 8.911 -0.687 241 HH11 ARG 31 HH11 ARG 31 -11.134 6.753 -3.498 242 HH12 ARG 31 HH12 ARG 31 -10.322 5.529 -2.648 243 HH21 ARG 31 HH21 ARG 31 -10.336 7.181 0.488 244 HH22 ARG 31 HH22 ARG 31 -9.835 5.788 -0.335 245 H THR 32 H THR 32 -12.682 13.253 -5.860 246 HA THR 32 HA THR 32 -11.620 11.453 -7.789 247 HB THR 32 HB THR 32 -12.150 14.433 -8.148 248 HG1 THR 32 HG1 THR 32 -14.076 12.402 -8.545 249 HG21 THR 32 HG21 THR 32 -11.087 13.279 -10.030 250 HG22 THR 32 HG22 THR 32 -12.740 13.750 -10.436 251 HG23 THR 32 HG23 THR 32 -12.372 12.071 -10.034 252 H VAL 33 H VAL 33 -10.499 14.541 -6.427 253 HA VAL 33 HA VAL 33 -8.043 14.619 -7.647 254 HB VAL 33 HB VAL 33 -9.217 15.825 -5.149 255 HG11 VAL 33 HG11 VAL 33 -6.557 16.345 -6.454 256 HG12 VAL 33 HG12 VAL 33 -6.796 15.575 -4.850 257 HG13 VAL 33 HG13 VAL 33 -7.348 17.256 -5.146 258 HG21 VAL 33 HG21 VAL 33 -9.933 16.422 -7.296 259 HG22 VAL 33 HG22 VAL 33 -8.178 16.659 -7.657 260 HG23 VAL 33 HG23 VAL 33 -8.983 17.707 -6.450 261 H SER 34 H SER 34 -9.125 13.245 -4.618 262 HA SER 34 HA SER 34 -6.645 12.860 -3.967 263 HB2 SER 34 HB3 SER 34 -9.102 11.564 -2.865 264 HB3 SER 34 HB2 SER 34 -7.528 11.355 -2.091 265 HG SER 34 HG SER 34 -9.208 13.386 -1.823 266 H LEU 35 H LEU 35 -8.509 11.116 -6.188 267 HA LEU 35 HA LEU 35 -7.144 8.590 -5.977 268 HB2 LEU 35 HB3 LEU 35 -8.870 9.686 -8.199 269 HB3 LEU 35 HB2 LEU 35 -8.305 8.033 -8.072 270 HG LEU 35 HG LEU 35 -10.212 9.395 -6.180 271 HD11 LEU 35 HD11 LEU 35 -11.868 7.879 -7.094 272 HD12 LEU 35 HD12 LEU 35 -10.681 7.279 -8.253 273 HD13 LEU 35 HD13 LEU 35 -11.214 8.959 -8.324 274 HD21 LEU 35 HD21 LEU 35 -8.850 7.728 -5.027 275 HD22 LEU 35 HD22 LEU 35 -9.282 6.527 -6.247 276 HD23 LEU 35 HD23 LEU 35 -10.520 7.199 -5.193 277 H LYS 36 H LYS 36 -6.998 11.403 -8.318 278 HA LYS 36 HA LYS 36 -4.858 10.422 -9.824 279 HB2 LYS 36 HB3 LYS 36 -5.768 13.227 -9.220 280 HB3 LYS 36 HB2 LYS 36 -4.474 12.837 -10.302 281 HG2 LYS 36 HG3 LYS 36 -6.260 13.283 -11.732 282 HG3 LYS 36 HG2 LYS 36 -6.267 11.527 -11.580 283 HD2 LYS 36 HD3 LYS 36 -8.149 11.498 -10.270 284 HD3 LYS 36 HD2 LYS 36 -7.915 13.160 -9.769 285 HE2 LYS 36 HE3 LYS 36 -9.762 12.725 -11.432 286 HE3 LYS 36 HE2 LYS 36 -8.655 14.050 -11.795 287 HZ1 LYS 36 HZ1 LYS 36 -9.073 12.864 -13.724 288 HZ2 LYS 36 HZ2 LYS 36 -8.785 11.355 -13.039 289 HZ3 LYS 36 HZ3 LYS 36 -7.505 12.438 -13.319 290 H LEU 37 H LEU 37 -5.101 12.729 -7.196 291 HA LEU 37 HA LEU 37 -2.268 13.193 -7.117 292 HB2 LEU 37 HB3 LEU 37 -3.841 14.996 -7.056 293 HB3 LEU 37 HB2 LEU 37 -4.627 14.480 -5.631 294 HG LEU 37 HG LEU 37 -2.246 14.711 -4.635 295 HD11 LEU 37 HD11 LEU 37 -1.144 15.166 -6.627 296 HD12 LEU 37 HD12 LEU 37 -1.122 16.631 -5.607 297 HD13 LEU 37 HD13 LEU 37 -2.280 16.476 -6.952 298 HD21 LEU 37 HD21 LEU 37 -2.842 16.939 -3.925 299 HD22 LEU 37 HD22 LEU 37 -4.277 15.903 -3.933 300 HD23 LEU 37 HD23 LEU 37 -4.007 17.057 -5.235 301 H ASN 38 H ASN 38 -2.691 10.643 -6.523 302 HA ASN 38 HA ASN 38 -1.585 10.623 -3.930 303 HB2 ASN 38 HB3 ASN 38 -4.064 10.334 -3.471 304 HB3 ASN 38 HB2 ASN 38 -3.969 8.827 -4.349 305 HD21 ASN 38 HD21 ASN 38 -2.551 6.960 -1.781 306 HD22 ASN 38 HD22 ASN 38 -3.092 7.022 -3.407 307 H ASP 39 H ASP 39 -3.092 8.292 -6.250 308 HA ASP 39 HA ASP 39 -0.509 7.114 -6.766 309 HB2 ASP 39 HB3 ASP 39 -0.745 5.019 -5.691 310 HB3 ASP 39 HB2 ASP 39 -1.043 6.262 -4.482 311 H LYS 40 H LYS 40 -4.099 7.082 -7.497 312 HA LYS 40 HA LYS 40 -3.705 4.643 -8.927 313 HB2 LYS 40 HB3 LYS 40 -6.173 6.318 -8.775 314 HB3 LYS 40 HB2 LYS 40 -5.951 4.691 -9.277 315 HG2 LYS 40 HG3 LYS 40 -5.343 3.983 -7.001 316 HG3 LYS 40 HG2 LYS 40 -5.701 5.618 -6.435 317 HD2 LYS 40 HD3 LYS 40 -7.986 5.397 -7.304 318 HD3 LYS 40 HD2 LYS 40 -7.622 3.755 -7.812 319 HE2 LYS 40 HE3 LYS 40 -7.133 3.171 -5.450 320 HE3 LYS 40 HE2 LYS 40 -7.630 4.804 -4.992 321 HZ1 LYS 40 HZ1 LYS 40 -9.838 4.306 -5.941 322 HZ2 LYS 40 HZ2 LYS 40 -9.432 3.293 -4.673 323 HZ3 LYS 40 HZ3 LYS 40 -9.325 2.731 -6.252 324 H VAL 41 H VAL 41 -4.706 7.974 -9.481 325 HA VAL 41 HA VAL 41 -4.684 7.136 -12.266 326 HB VAL 41 HB VAL 41 -6.280 9.496 -11.795 327 HG11 VAL 41 HG11 VAL 41 -6.763 6.799 -12.643 328 HG12 VAL 41 HG12 VAL 41 -6.194 8.081 -13.757 329 HG13 VAL 41 HG13 VAL 41 -7.862 8.124 -13.053 330 HG21 VAL 41 HG21 VAL 41 -8.144 8.437 -10.683 331 HG22 VAL 41 HG22 VAL 41 -6.722 8.438 -9.627 332 HG23 VAL 41 HG23 VAL 41 -7.200 6.959 -10.479 333 H THR 42 H THR 42 -4.636 9.111 -13.698 334 HA THR 42 HA THR 42 -2.472 10.845 -12.815 335 HB THR 42 HB THR 42 -3.075 10.044 -15.654 336 HG1 THR 42 HG1 THR 42 -1.095 8.671 -14.185 337 HG21 THR 42 HG21 THR 42 -0.551 10.808 -14.193 338 HG22 THR 42 HG22 THR 42 -1.501 11.864 -15.249 339 HG23 THR 42 HG23 THR 42 -0.663 10.457 -15.923 340 H TRP 43 H TRP 43 -2.625 12.938 -14.085 341 HA TRP 43 HA TRP 43 -5.406 13.813 -14.225 342 HB2 TRP 43 HB3 TRP 43 -2.830 15.383 -14.352 343 HB3 TRP 43 HB2 TRP 43 -4.436 16.075 -14.295 344 HD1 TRP 43 HD1 TRP 43 -5.530 16.343 -11.899 345 HE1 TRP 43 HE1 TRP 43 -4.593 16.072 -9.516 346 HE3 TRP 43 HE3 TRP 43 -1.201 13.886 -13.014 347 HZ2 TRP 43 HZ2 TRP 43 -2.299 14.933 -8.275 348 HZ3 TRP 43 HZ3 TRP 43 0.296 13.248 -11.182 349 HH2 TRP 43 HH2 TRP 43 -0.254 13.765 -8.871 350 H LYS 44 H LYS 44 -6.253 14.501 -16.149 351 HA LYS 44 HA LYS 44 -4.727 14.123 -18.548 352 HB2 LYS 44 HB3 LYS 44 -7.448 15.359 -18.045 353 HB3 LYS 44 HB2 LYS 44 -6.760 15.083 -19.632 354 HG2 LYS 44 HG3 LYS 44 -7.431 12.951 -17.612 355 HG3 LYS 44 HG2 LYS 44 -8.407 13.368 -19.024 356 HD2 LYS 44 HD3 LYS 44 -6.523 12.724 -20.474 357 HD3 LYS 44 HD2 LYS 44 -5.589 12.268 -19.050 358 HE2 LYS 44 HE3 LYS 44 -7.264 10.579 -18.487 359 HE3 LYS 44 HE2 LYS 44 -8.218 11.049 -19.889 360 HZ1 LYS 44 HZ1 LYS 44 -5.499 9.832 -19.946 361 HZ2 LYS 44 HZ2 LYS 44 -6.338 10.375 -21.302 362 HZ3 LYS 44 HZ3 LYS 44 -6.944 9.106 -20.411 363 H ASP 45 H ASP 45 -4.446 15.981 -20.030 364 HA ASP 45 HA ASP 45 -2.871 17.927 -18.848 365 HB2 ASP 45 HB3 ASP 45 -2.612 17.412 -21.183 366 HB3 ASP 45 HB2 ASP 45 -4.232 18.005 -21.532 367 H ASP 46 H ASP 46 -6.216 18.284 -19.907 368 HA ASP 46 HA ASP 46 -6.429 20.999 -19.148 369 HB2 ASP 46 HB3 ASP 46 -8.512 18.907 -19.671 370 HB3 ASP 46 HB2 ASP 46 -8.961 20.479 -19.035 371 H GLU 47 H GLU 47 -6.519 18.135 -17.249 372 HA GLU 47 HA GLU 47 -7.858 19.405 -15.028 373 HB2 GLU 47 HB3 GLU 47 -6.224 16.846 -15.112 374 HB3 GLU 47 HB2 GLU 47 -7.180 17.383 -13.740 375 HG2 GLU 47 HG3 GLU 47 -9.211 17.178 -15.126 376 HG3 GLU 47 HG2 GLU 47 -8.219 16.570 -16.450 377 H ILE 48 H ILE 48 -4.618 18.563 -16.006 378 HA ILE 48 HA ILE 48 -3.142 19.434 -13.801 379 HB ILE 48 HB ILE 48 -2.362 19.519 -16.738 380 HG12 ILE 48 HG13 ILE 48 -1.875 17.398 -14.638 381 HG13 ILE 48 HG12 ILE 48 -3.033 17.285 -15.951 382 HG21 ILE 48 HG21 ILE 48 -0.879 20.919 -15.415 383 HG22 ILE 48 HG22 ILE 48 -0.033 19.464 -15.940 384 HG23 ILE 48 HG23 ILE 48 -0.609 19.599 -14.278 385 HD11 ILE 48 HD11 ILE 48 -0.042 17.440 -16.231 386 HD12 ILE 48 HD12 ILE 48 -1.196 17.325 -17.562 387 HD13 ILE 48 HD13 ILE 48 -1.041 15.998 -16.411 388 H LEU 49 H LEU 49 -4.129 21.248 -16.762 389 HA LEU 49 HA LEU 49 -2.909 23.610 -16.332 390 HB2 LEU 49 HB3 LEU 49 -5.527 22.941 -17.614 391 HB3 LEU 49 HB2 LEU 49 -4.673 24.448 -17.785 392 HG LEU 49 HG LEU 49 -3.758 21.754 -18.722 393 HD11 LEU 49 HD11 LEU 49 -4.640 24.196 -20.262 394 HD12 LEU 49 HD12 LEU 49 -5.540 22.693 -20.085 395 HD13 LEU 49 HD13 LEU 49 -4.018 22.707 -20.974 396 HD21 LEU 49 HD21 LEU 49 -2.387 24.437 -19.001 397 HD22 LEU 49 HD22 LEU 49 -1.884 22.949 -19.797 398 HD23 LEU 49 HD23 LEU 49 -1.824 23.067 -18.042 399 H LYS 50 H LYS 50 -5.910 22.396 -14.898 400 HA LYS 50 HA LYS 50 -6.922 24.879 -14.065 401 HB2 LYS 50 HB3 LYS 50 -7.302 22.204 -12.888 402 HB3 LYS 50 HB2 LYS 50 -8.316 23.596 -12.584 403 HG2 LYS 50 HG3 LYS 50 -7.986 22.176 -15.200 404 HG3 LYS 50 HG2 LYS 50 -9.371 21.959 -14.126 405 HD2 LYS 50 HD3 LYS 50 -10.194 23.409 -15.756 406 HD3 LYS 50 HD2 LYS 50 -9.649 24.555 -14.537 407 HE2 LYS 50 HE3 LYS 50 -7.581 24.950 -15.817 408 HE3 LYS 50 HE2 LYS 50 -8.060 23.712 -16.969 409 HZ1 LYS 50 HZ1 LYS 50 -9.888 25.039 -17.641 410 HZ2 LYS 50 HZ2 LYS 50 -8.476 25.985 -17.715 411 HZ3 LYS 50 HZ3 LYS 50 -9.570 26.189 -16.444 412 H ALA 51 H ALA 51 -4.898 22.462 -12.541 413 HA ALA 51 HA ALA 51 -4.776 23.781 -10.012 414 HB1 ALA 51 HB1 ALA 51 -3.042 21.640 -11.223 415 HB2 ALA 51 HB2 ALA 51 -4.439 21.381 -10.174 416 HB3 ALA 51 HB3 ALA 51 -2.982 22.148 -9.537 417 H VAL 52 H VAL 52 -2.673 23.573 -12.830 418 HA VAL 52 HA VAL 52 -0.436 25.024 -11.999 419 HB VAL 52 HB VAL 52 -1.752 24.950 -14.740 420 HG11 VAL 52 HG11 VAL 52 1.065 25.812 -14.054 421 HG12 VAL 52 HG12 VAL 52 -0.232 26.871 -14.595 422 HG13 VAL 52 HG13 VAL 52 0.398 25.628 -15.674 423 HG21 VAL 52 HG21 VAL 52 0.542 23.383 -13.597 424 HG22 VAL 52 HG22 VAL 52 -0.058 23.283 -15.253 425 HG23 VAL 52 HG23 VAL 52 -1.083 22.777 -13.909 426 H HIS 53 H HIS 53 -3.512 26.133 -13.098 427 HA HIS 53 HA HIS 53 -2.873 28.887 -13.417 428 HB2 HIS 53 HB3 HIS 53 -4.710 27.527 -14.465 429 HB3 HIS 53 HB2 HIS 53 -5.544 27.650 -12.944 430 HD1 HIS 53 HD1 HIS 53 -7.375 29.290 -13.205 431 HD2 HIS 53 HD2 HIS 53 -3.865 30.573 -15.007 432 HE1 HIS 53 HE1 HIS 53 -7.885 31.546 -14.168 433 H VAL 54 H VAL 54 -3.952 26.944 -10.775 434 HA VAL 54 HA VAL 54 -4.895 29.269 -9.245 435 HB VAL 54 HB VAL 54 -4.970 26.309 -8.591 436 HG11 VAL 54 HG11 VAL 54 -6.169 28.619 -7.036 437 HG12 VAL 54 HG12 VAL 54 -4.775 27.634 -6.565 438 HG13 VAL 54 HG13 VAL 54 -6.361 26.893 -6.674 439 HG21 VAL 54 HG21 VAL 54 -6.489 26.938 -10.358 440 HG22 VAL 54 HG22 VAL 54 -7.151 28.235 -9.360 441 HG23 VAL 54 HG23 VAL 54 -7.391 26.550 -8.891 442 H LEU 55 H LEU 55 -2.729 26.485 -8.795 443 HA LEU 55 HA LEU 55 -1.517 27.346 -6.493 444 HB2 LEU 55 HB3 LEU 55 -1.198 25.334 -8.632 445 HB3 LEU 55 HB2 LEU 55 0.008 25.495 -7.418 446 HG LEU 55 HG LEU 55 -1.669 23.717 -7.178 447 HD11 LEU 55 HD11 LEU 55 -1.479 25.717 -4.906 448 HD12 LEU 55 HD12 LEU 55 -0.370 24.382 -5.237 449 HD13 LEU 55 HD13 LEU 55 -2.016 24.052 -4.701 450 HD21 LEU 55 HD21 LEU 55 -3.713 24.755 -7.780 451 HD22 LEU 55 HD22 LEU 55 -3.562 25.933 -6.477 452 HD23 LEU 55 HD23 LEU 55 -3.863 24.237 -6.098 453 H GLU 56 H GLU 56 -1.242 28.432 -9.625 454 HA GLU 56 HA GLU 56 0.184 29.520 -10.871 455 HB2 GLU 56 HB3 GLU 56 1.209 30.460 -8.196 456 HB3 GLU 56 HB2 GLU 56 1.728 31.147 -9.732 457 HG2 GLU 56 HG3 GLU 56 -0.540 31.802 -10.237 458 HG3 GLU 56 HG2 GLU 56 -1.109 31.060 -8.748 459 H LEU 57 H LEU 57 0.869 27.597 -11.594 460 HA LEU 57 HA LEU 57 3.663 26.964 -10.964 461 HB2 LEU 57 HB3 LEU 57 1.607 25.260 -12.167 462 HB3 LEU 57 HB2 LEU 57 3.218 24.721 -11.747 463 HG LEU 57 HG LEU 57 0.991 25.457 -9.827 464 HD11 LEU 57 HD11 LEU 57 2.339 22.823 -10.377 465 HD12 LEU 57 HD12 LEU 57 0.696 23.274 -10.833 466 HD13 LEU 57 HD13 LEU 57 1.128 23.117 -9.129 467 HD21 LEU 57 HD21 LEU 57 3.820 24.589 -9.214 468 HD22 LEU 57 HD22 LEU 57 2.528 24.780 -8.029 469 HD23 LEU 57 HD23 LEU 57 3.126 26.182 -8.910 470 H ASN 58 H ASN 58 4.492 25.692 -13.110 471 HA ASN 58 HA ASN 58 3.698 27.320 -15.398 472 HB2 ASN 58 HB3 ASN 58 5.770 28.194 -14.414 473 HB3 ASN 58 HB2 ASN 58 6.508 26.607 -14.526 474 HD21 ASN 58 HD21 ASN 58 6.278 29.037 -17.716 475 HD22 ASN 58 HD22 ASN 58 5.476 29.368 -16.219 476 HA PRO 59 HA PRO 59 3.285 23.371 -17.475 477 HB2 PRO 59 HB3 PRO 59 4.259 24.154 -19.968 478 HB3 PRO 59 HB2 PRO 59 2.587 24.274 -19.419 479 HG2 PRO 59 HG3 PRO 59 4.730 26.351 -19.440 480 HG3 PRO 59 HG2 PRO 59 3.001 26.521 -19.804 481 HD2 PRO 59 HD3 PRO 59 4.009 27.328 -17.481 482 HD3 PRO 59 HD2 PRO 59 2.413 26.540 -17.546 483 H GLN 60 H GLN 60 6.406 25.023 -17.485 484 HA GLN 60 HA GLN 60 7.790 22.678 -18.423 485 HB2 GLN 60 HB3 GLN 60 8.691 25.318 -17.404 486 HB3 GLN 60 HB2 GLN 60 9.823 23.994 -17.635 487 HG2 GLN 60 HG3 GLN 60 9.886 25.381 -19.442 488 HG3 GLN 60 HG2 GLN 60 9.168 23.880 -19.994 489 HE21 GLN 60 HE21 GLN 60 6.148 25.373 -20.961 490 HE22 GLN 60 HE22 GLN 60 6.995 23.908 -20.630 491 H ASP 61 H ASP 61 6.875 24.109 -15.494 492 HA ASP 61 HA ASP 61 8.733 22.697 -13.768 493 HB2 ASP 61 HB3 ASP 61 7.316 25.065 -13.620 494 HB3 ASP 61 HB2 ASP 61 6.452 24.035 -12.491 495 H ILE 62 H ILE 62 6.208 21.661 -15.379 496 HA ILE 62 HA ILE 62 4.388 20.524 -13.632 497 HB ILE 62 HB ILE 62 5.092 19.689 -16.430 498 HG12 ILE 62 HG13 ILE 62 4.146 21.913 -16.286 499 HG13 ILE 62 HG12 ILE 62 2.950 20.795 -16.939 500 HG21 ILE 62 HG21 ILE 62 2.993 18.426 -16.505 501 HG22 ILE 62 HG22 ILE 62 2.744 18.736 -14.790 502 HG23 ILE 62 HG23 ILE 62 4.108 17.747 -15.315 503 HD11 ILE 62 HD11 ILE 62 1.866 20.712 -14.745 504 HD12 ILE 62 HD12 ILE 62 1.926 22.333 -15.428 505 HD13 ILE 62 HD13 ILE 62 3.034 21.893 -14.137 506 HA PRO 63 HA PRO 63 6.582 16.259 -13.668 507 HB2 PRO 63 HB3 PRO 63 9.244 16.079 -14.044 508 HB3 PRO 63 HB2 PRO 63 8.054 16.014 -15.353 509 HG2 PRO 63 HG3 PRO 63 9.843 18.230 -14.543 510 HG3 PRO 63 HG2 PRO 63 9.282 17.756 -16.156 511 HD2 PRO 63 HD3 PRO 63 8.292 19.798 -14.558 512 HD3 PRO 63 HD2 PRO 63 7.463 19.139 -16.002 513 H LYS 64 H LYS 64 7.774 18.994 -12.428 514 HA LYS 64 HA LYS 64 9.224 17.933 -10.162 515 HB2 LYS 64 HB3 LYS 64 8.152 20.717 -10.601 516 HB3 LYS 64 HB2 LYS 64 9.422 20.223 -9.493 517 HG2 LYS 64 HG3 LYS 64 10.869 19.648 -11.431 518 HG3 LYS 64 HG2 LYS 64 9.554 20.075 -12.484 519 HD2 LYS 64 HD3 LYS 64 11.232 21.862 -12.305 520 HD3 LYS 64 HD2 LYS 64 9.610 22.363 -11.841 521 HE2 LYS 64 HE3 LYS 64 10.273 22.049 -9.454 522 HE3 LYS 64 HE2 LYS 64 11.917 21.715 -10.006 523 HZ1 LYS 64 HZ1 LYS 64 10.420 24.197 -10.568 524 HZ2 LYS 64 HZ2 LYS 64 12.053 23.915 -10.917 525 HZ3 LYS 64 HZ3 LYS 64 11.532 24.040 -9.313 526 H TYR 65 H TYR 65 5.975 18.668 -11.033 527 HA TYR 65 HA TYR 65 5.143 18.657 -8.236 528 HB2 TYR 65 HB3 TYR 65 4.029 20.028 -10.633 529 HB3 TYR 65 HB2 TYR 65 3.069 19.768 -9.182 530 HD1 TYR 65 HD1 TYR 65 5.381 21.919 -10.780 531 HD2 TYR 65 HD2 TYR 65 4.128 20.473 -7.048 532 HE1 TYR 65 HE1 TYR 65 6.438 23.857 -9.714 533 HE2 TYR 65 HE2 TYR 65 5.172 22.423 -5.907 534 HH TYR 65 HH TYR 65 6.304 25.121 -7.687 535 H PHE 66 H PHE 66 3.854 17.789 -11.434 536 HA PHE 66 HA PHE 66 1.872 16.093 -10.176 537 HB2 PHE 66 HB3 PHE 66 2.374 16.774 -13.078 538 HB3 PHE 66 HB2 PHE 66 1.029 15.795 -12.499 539 HD1 PHE 66 HD1 PHE 66 2.464 19.174 -12.595 540 HD2 PHE 66 HD2 PHE 66 -0.835 16.789 -11.358 541 HE1 PHE 66 HE1 PHE 66 1.161 21.209 -12.160 542 HE2 PHE 66 HE2 PHE 66 -2.145 18.824 -10.926 543 HZ PHE 66 HZ PHE 66 -1.137 21.038 -11.323 544 H PHE 67 H PHE 67 4.865 15.603 -10.589 545 HA PHE 67 HA PHE 67 4.505 12.755 -10.913 546 HB2 PHE 67 HB3 PHE 67 6.843 14.214 -12.286 547 HB3 PHE 67 HB2 PHE 67 6.596 12.514 -12.157 548 HD1 PHE 67 HD1 PHE 67 5.487 11.300 -13.754 549 HD2 PHE 67 HD2 PHE 67 4.886 15.514 -13.619 550 HE1 PHE 67 HE1 PHE 67 4.207 11.194 -15.844 551 HE2 PHE 67 HE2 PHE 67 3.622 15.406 -15.709 552 HZ PHE 67 HZ PHE 67 3.273 13.246 -16.826 553 H ASN 68 H ASN 68 7.105 15.245 -10.155 554 HA ASN 68 HA ASN 68 8.538 15.375 -8.751 555 HB2 ASN 68 HB3 ASN 68 6.375 15.826 -7.522 556 HB3 ASN 68 HB2 ASN 68 6.571 14.217 -6.836 557 HD21 ASN 68 HD21 ASN 68 9.503 16.878 -5.973 558 HD22 ASN 68 HD22 ASN 68 8.976 16.713 -7.565 559 H ALA 69 H ALA 69 9.649 13.691 -9.909 560 HA ALA 69 HA ALA 69 9.771 11.030 -8.795 561 HB1 ALA 69 HB1 ALA 69 11.333 10.595 -10.627 562 HB2 ALA 69 HB2 ALA 69 11.379 12.313 -11.010 563 HB3 ALA 69 HB3 ALA 69 9.884 11.404 -11.223 564 H LYS 70 H LYS 70 10.493 13.019 -7.028 565 HA LYS 70 HA LYS 70 11.939 13.804 -5.572 566 HB2 LYS 70 HB3 LYS 70 11.731 11.579 -4.781 567 HB3 LYS 70 HB2 LYS 70 13.005 11.025 -5.859 568 HG2 LYS 70 HG3 LYS 70 14.651 12.306 -4.624 569 HG3 LYS 70 HG2 LYS 70 13.399 13.023 -3.622 570 HD2 LYS 70 HD3 LYS 70 14.150 10.097 -3.702 571 HD3 LYS 70 HD2 LYS 70 14.602 11.248 -2.445 572 HE2 LYS 70 HE3 LYS 70 12.154 11.610 -2.026 573 HE3 LYS 70 HE2 LYS 70 11.831 10.279 -3.134 574 HZ1 LYS 70 HZ1 LYS 70 13.368 10.144 -0.618 575 HZ2 LYS 70 HZ2 LYS 70 13.162 8.837 -1.689 576 HZ3 LYS 70 HZ3 LYS 70 11.834 9.500 -0.887 577 H VAL 71 H VAL 71 13.106 15.426 -6.063 578 HA VAL 71 HA VAL 71 15.751 14.997 -7.234 579 HB VAL 71 HB VAL 71 15.565 17.430 -7.993 580 HG11 VAL 71 HG11 VAL 71 14.265 16.904 -9.999 581 HG12 VAL 71 HG12 VAL 71 13.611 15.474 -9.197 582 HG13 VAL 71 HG13 VAL 71 15.333 15.572 -9.560 583 HG21 VAL 71 HG21 VAL 71 12.629 16.978 -7.425 584 HG22 VAL 71 HG22 VAL 71 13.307 18.371 -8.270 585 HG23 VAL 71 HG23 VAL 71 13.686 18.098 -6.570 586 H HIS 72 H HIS 72 15.277 14.593 -4.675 587 HA HIS 72 HA HIS 72 15.516 15.001 -2.612 588 HB2 HIS 72 HB3 HIS 72 17.435 16.342 -1.741 589 HB3 HIS 72 HB2 HIS 72 17.902 15.199 -2.973 590 HD1 HIS 72 HD1 HIS 72 17.339 18.930 -2.547 591 HD2 HIS 72 HD2 HIS 72 19.419 16.289 -4.972 592 HE1 HIS 72 HE1 HIS 72 18.903 20.351 -3.904 Start of MODEL 3 1 H GLY -1 H GLY -1 18.187 6.680 -2.057 2 HA2 GLY -1 HA2 GLY -1 16.871 8.628 -1.533 3 HA3 GLY -1 HA3 GLY -1 18.275 9.041 -2.514 4 H SER 0 H SER 0 17.104 10.155 -4.072 5 HA SER 0 HA SER 0 16.133 10.423 -6.056 6 HB2 SER 0 HB3 SER 0 17.491 8.399 -6.644 7 HB3 SER 0 HB2 SER 0 16.107 7.393 -6.240 8 HG SER 0 HG SER 0 15.086 8.025 -7.979 9 H MET 1 H MET 1 14.584 9.977 -3.555 10 HA MET 1 HA MET 1 12.027 9.255 -4.804 11 HB2 MET 1 HB3 MET 1 11.103 8.928 -2.548 12 HB3 MET 1 HB2 MET 1 12.494 7.900 -2.827 13 HG2 MET 1 HG3 MET 1 13.883 9.383 -1.505 14 HG3 MET 1 HG2 MET 1 12.520 10.478 -1.283 15 HE1 MET 1 HE1 MET 1 13.060 8.889 2.268 16 HE2 MET 1 HE2 MET 1 13.025 10.382 1.326 17 HE3 MET 1 HE3 MET 1 14.319 9.215 1.077 18 H SER 2 H SER 2 13.800 11.864 -4.380 19 HA SER 2 HA SER 2 11.767 13.627 -3.391 20 HB2 SER 2 HB3 SER 2 13.632 15.331 -4.128 21 HB3 SER 2 HB2 SER 2 13.859 14.355 -2.679 22 HG SER 2 HG SER 2 15.602 14.480 -4.356 23 H TYR 3 H TYR 3 10.384 12.766 -4.939 24 HA TYR 3 HA TYR 3 9.910 14.485 -7.223 25 HB2 TYR 3 HB3 TYR 3 11.332 11.991 -7.473 26 HB3 TYR 3 HB2 TYR 3 9.729 11.789 -8.158 27 HD1 TYR 3 HD1 TYR 3 9.987 11.746 -10.422 28 HD2 TYR 3 HD2 TYR 3 12.070 14.674 -8.194 29 HE1 TYR 3 HE1 TYR 3 10.759 12.746 -12.514 30 HE2 TYR 3 HE2 TYR 3 12.878 15.716 -10.308 31 HH TYR 3 HH TYR 3 11.534 14.780 -13.325 32 H ASP 4 H ASP 4 8.848 13.751 -4.653 33 HA ASP 4 HA ASP 4 6.935 11.618 -4.853 34 HB2 ASP 4 HB3 ASP 4 6.711 12.025 -2.503 35 HB3 ASP 4 HB2 ASP 4 8.424 11.956 -2.932 36 H TYR 5 H TYR 5 4.775 12.033 -3.876 37 HA TYR 5 HA TYR 5 3.651 14.525 -4.925 38 HB2 TYR 5 HB3 TYR 5 2.195 12.033 -4.004 39 HB3 TYR 5 HB2 TYR 5 1.467 13.488 -4.682 40 HD1 TYR 5 HD1 TYR 5 2.737 10.267 -5.425 41 HD2 TYR 5 HD2 TYR 5 2.235 14.154 -7.058 42 HE1 TYR 5 HE1 TYR 5 2.941 9.336 -7.694 43 HE2 TYR 5 HE2 TYR 5 2.431 13.238 -9.320 44 HH TYR 5 HH TYR 5 2.314 9.892 -9.954 45 H SER 6 H SER 6 4.941 13.683 -2.072 46 HA SER 6 HA SER 6 2.800 14.571 -0.362 47 HB2 SER 6 HB3 SER 6 4.366 12.807 0.424 48 HB3 SER 6 HB2 SER 6 5.711 13.932 0.240 49 HG SER 6 HG SER 6 4.276 13.556 2.359 50 H SER 7 H SER 7 5.837 15.738 -1.673 51 HA SER 7 HA SER 7 5.879 18.333 -0.635 52 HB2 SER 7 HB3 SER 7 6.655 17.325 -3.361 53 HB3 SER 7 HB2 SER 7 7.209 18.849 -2.690 54 HG SER 7 HG SER 7 8.055 16.251 -2.203 55 H LEU 8 H LEU 8 4.197 16.900 -3.331 56 HA LEU 8 HA LEU 8 3.020 19.192 -4.435 57 HB2 LEU 8 HB3 LEU 8 3.086 17.021 -5.599 58 HB3 LEU 8 HB2 LEU 8 2.086 16.349 -4.358 59 HG LEU 8 HG LEU 8 0.151 17.490 -5.071 60 HD11 LEU 8 HD11 LEU 8 1.922 19.077 -6.936 61 HD12 LEU 8 HD12 LEU 8 1.065 19.663 -5.492 62 HD13 LEU 8 HD13 LEU 8 0.151 19.122 -6.897 63 HD21 LEU 8 HD21 LEU 8 -0.009 16.790 -7.414 64 HD22 LEU 8 HD22 LEU 8 0.725 15.573 -6.361 65 HD23 LEU 8 HD23 LEU 8 1.747 16.567 -7.418 66 H LEU 9 H LEU 9 1.708 16.757 -2.157 67 HA LEU 9 HA LEU 9 -0.652 17.912 -1.618 68 HB2 LEU 9 HB3 LEU 9 1.243 16.273 -0.007 69 HB3 LEU 9 HB2 LEU 9 -0.316 16.728 0.607 70 HG LEU 9 HG LEU 9 0.189 15.048 -1.851 71 HD11 LEU 9 HD11 LEU 9 0.766 13.885 0.224 72 HD12 LEU 9 HD12 LEU 9 -0.691 13.208 -0.506 73 HD13 LEU 9 HD13 LEU 9 -0.820 14.278 0.888 74 HD21 LEU 9 HD21 LEU 9 -1.868 16.246 -2.123 75 HD22 LEU 9 HD22 LEU 9 -2.337 15.895 -0.467 76 HD23 LEU 9 HD23 LEU 9 -2.261 14.590 -1.644 77 H GLY 10 H GLY 10 2.525 18.531 -0.306 78 HA2 GLY 10 HA3 GLY 10 1.899 20.158 1.838 79 HA3 GLY 10 HA2 GLY 10 3.401 20.188 0.921 80 H LYS 11 H LYS 11 2.689 21.223 -1.632 81 HA LYS 11 HA LYS 11 2.180 23.856 -0.836 82 HB2 LYS 11 HB3 LYS 11 2.894 24.356 -3.077 83 HB3 LYS 11 HB2 LYS 11 3.798 23.022 -2.546 84 HG2 LYS 11 HG3 LYS 11 3.341 22.634 -4.761 85 HG3 LYS 11 HG2 LYS 11 2.222 21.568 -3.876 86 HD2 LYS 11 HD3 LYS 11 0.442 22.991 -4.182 87 HD3 LYS 11 HD2 LYS 11 1.446 24.341 -4.577 88 HE2 LYS 11 HE3 LYS 11 1.376 21.984 -6.442 89 HE3 LYS 11 HE2 LYS 11 0.235 23.324 -6.592 90 HZ1 LYS 11 HZ1 LYS 11 2.219 23.652 -8.018 91 HZ2 LYS 11 HZ2 LYS 11 3.232 23.672 -6.679 92 HZ3 LYS 11 HZ3 LYS 11 2.080 24.854 -6.893 93 H ILE 12 H ILE 12 0.226 21.231 -1.966 94 HA ILE 12 HA ILE 12 -1.990 22.667 -2.893 95 HB ILE 12 HB ILE 12 -1.873 19.970 -1.484 96 HG12 ILE 12 HG13 ILE 12 -2.130 20.689 -4.410 97 HG13 ILE 12 HG12 ILE 12 -0.678 20.104 -3.626 98 HG21 ILE 12 HG21 ILE 12 -4.201 21.194 -2.976 99 HG22 ILE 12 HG22 ILE 12 -4.121 20.889 -1.242 100 HG23 ILE 12 HG23 ILE 12 -4.125 19.539 -2.371 101 HD11 ILE 12 HD11 ILE 12 -1.856 18.376 -4.929 102 HD12 ILE 12 HD12 ILE 12 -3.232 18.505 -3.826 103 HD13 ILE 12 HD13 ILE 12 -1.674 17.952 -3.238 104 H THR 13 H THR 13 -0.981 21.801 0.367 105 HA THR 13 HA THR 13 -3.263 22.600 1.759 106 HB THR 13 HB THR 13 -0.378 22.704 2.637 107 HG1 THR 13 HG1 THR 13 -2.237 20.646 2.247 108 HG21 THR 13 HG21 THR 13 -1.310 22.368 4.901 109 HG22 THR 13 HG22 THR 13 -2.941 22.425 4.211 110 HG23 THR 13 HG23 THR 13 -1.921 23.858 4.164 111 H GLU 14 H GLU 14 -0.544 24.401 0.528 112 HA GLU 14 HA GLU 14 -1.417 26.744 1.899 113 HB2 GLU 14 HB3 GLU 14 0.965 26.018 0.406 114 HB3 GLU 14 HB2 GLU 14 0.738 27.717 0.882 115 HG2 GLU 14 HG3 GLU 14 0.586 26.954 3.234 116 HG3 GLU 14 HG2 GLU 14 0.853 25.300 2.701 117 H LYS 15 H LYS 15 -1.992 25.354 -1.140 118 HA LYS 15 HA LYS 15 -2.424 27.896 -2.423 119 HB2 LYS 15 HB3 LYS 15 -1.608 25.281 -3.139 120 HB3 LYS 15 HB2 LYS 15 -3.039 25.725 -4.046 121 HG2 LYS 15 HG3 LYS 15 -1.017 26.360 -5.277 122 HG3 LYS 15 HG2 LYS 15 -1.827 27.826 -4.717 123 HD2 LYS 15 HD3 LYS 15 -0.293 27.703 -2.678 124 HD3 LYS 15 HD2 LYS 15 0.618 26.498 -3.580 125 HE2 LYS 15 HE3 LYS 15 0.984 28.084 -5.386 126 HE3 LYS 15 HE2 LYS 15 0.006 29.269 -4.521 127 HZ1 LYS 15 HZ1 LYS 15 1.657 29.275 -2.743 128 HZ2 LYS 15 HZ2 LYS 15 2.342 29.708 -4.206 129 HZ3 LYS 15 HZ3 LYS 15 2.604 28.168 -3.591 130 H CYS 16 H CYS 16 -4.063 24.933 -1.392 131 HA CYS 16 HA CYS 16 -6.577 26.134 -2.113 132 HB2 CYS 16 HB3 CYS 16 -5.577 23.310 -2.089 133 HB3 CYS 16 HB2 CYS 16 -7.244 23.785 -2.333 134 HG CYS 16 HG CYS 16 -6.200 25.482 -4.576 135 H GLY 17 H GLY 17 -4.834 23.830 -0.019 136 HA2 GLY 17 HA3 GLY 17 -5.229 24.525 2.406 137 HA3 GLY 17 HA2 GLY 17 -6.898 24.218 1.961 138 H THR 18 H THR 18 -6.836 22.094 0.527 139 HA THR 18 HA THR 18 -5.393 19.875 1.706 140 HB THR 18 HB THR 18 -7.552 18.712 2.305 141 HG1 THR 18 HG1 THR 18 -9.020 20.939 2.762 142 HG21 THR 18 HG21 THR 18 -6.898 21.206 3.838 143 HG22 THR 18 HG22 THR 18 -6.179 19.617 4.105 144 HG23 THR 18 HG23 THR 18 -7.891 19.897 4.490 145 H GLN 19 H GLN 19 -6.566 17.782 0.751 146 HA GLN 19 HA GLN 19 -6.623 18.000 -2.061 147 HB2 GLN 19 HB3 GLN 19 -7.624 15.777 -0.273 148 HB3 GLN 19 HB2 GLN 19 -7.418 15.641 -2.013 149 HG2 GLN 19 HG3 GLN 19 -5.018 16.007 -1.750 150 HG3 GLN 19 HG2 GLN 19 -5.230 16.145 -0.006 151 HE21 GLN 19 HE21 GLN 19 -4.385 12.759 0.062 152 HE22 GLN 19 HE22 GLN 19 -3.894 14.385 0.412 153 H TYR 20 H TYR 20 -9.014 18.147 0.412 154 HA TYR 20 HA TYR 20 -11.397 17.820 -1.041 155 HB2 TYR 20 HB3 TYR 20 -11.165 17.887 1.451 156 HB3 TYR 20 HB2 TYR 20 -10.828 19.581 1.324 157 HD1 TYR 20 HD1 TYR 20 -13.501 17.181 0.386 158 HD2 TYR 20 HD2 TYR 20 -12.499 21.139 1.504 159 HE1 TYR 20 HE1 TYR 20 -15.903 17.737 0.524 160 HE2 TYR 20 HE2 TYR 20 -14.884 21.721 1.649 161 HH TYR 20 HH TYR 20 -17.303 19.452 1.756 162 H ASN 21 H ASN 21 -9.862 20.699 0.151 163 HA ASN 21 HA ASN 21 -11.298 22.652 -1.186 164 HB2 ASN 21 HB3 ASN 21 -8.417 22.646 -0.356 165 HB3 ASN 21 HB2 ASN 21 -9.242 24.066 -0.946 166 HD21 ASN 21 HD21 ASN 21 -9.695 24.756 2.454 167 HD22 ASN 21 HD22 ASN 21 -8.815 25.119 1.022 168 H PHE 22 H PHE 22 -8.380 20.977 -2.236 169 HA PHE 22 HA PHE 22 -7.723 22.103 -4.681 170 HB2 PHE 22 HB3 PHE 22 -6.674 20.091 -3.502 171 HB3 PHE 22 HB2 PHE 22 -7.981 19.146 -4.120 172 HD1 PHE 22 HD1 PHE 22 -4.706 19.635 -4.594 173 HD2 PHE 22 HD2 PHE 22 -8.256 19.680 -6.907 174 HE1 PHE 22 HE1 PHE 22 -3.398 19.086 -6.607 175 HE2 PHE 22 HE2 PHE 22 -6.962 19.142 -8.924 176 HZ PHE 22 HZ PHE 22 -4.529 18.836 -8.776 177 H ALA 23 H ALA 23 -9.914 19.435 -4.057 178 HA ALA 23 HA ALA 23 -10.963 19.018 -6.580 179 HB1 ALA 23 HB1 ALA 23 -11.264 17.530 -4.632 180 HB2 ALA 23 HB2 ALA 23 -12.767 17.851 -5.495 181 HB3 ALA 23 HB3 ALA 23 -12.431 18.675 -3.974 182 H ILE 24 H ILE 24 -12.160 21.058 -3.923 183 HA ILE 24 HA ILE 24 -14.568 21.939 -4.927 184 HB ILE 24 HB ILE 24 -12.617 23.448 -3.207 185 HG12 ILE 24 HG13 ILE 24 -13.088 21.222 -2.279 186 HG13 ILE 24 HG12 ILE 24 -13.778 22.493 -1.329 187 HG21 ILE 24 HG21 ILE 24 -14.379 24.891 -4.036 188 HG22 ILE 24 HG22 ILE 24 -14.607 24.574 -2.311 189 HG23 ILE 24 HG23 ILE 24 -15.600 23.734 -3.501 190 HD11 ILE 24 HD11 ILE 24 -15.255 20.731 -3.261 191 HD12 ILE 24 HD12 ILE 24 -15.971 22.011 -2.269 192 HD13 ILE 24 HD13 ILE 24 -15.233 20.599 -1.499 193 H ALA 25 H ALA 25 -11.391 23.527 -5.091 194 HA ALA 25 HA ALA 25 -12.387 25.747 -6.576 195 HB1 ALA 25 HB1 ALA 25 -10.521 25.947 -5.004 196 HB2 ALA 25 HB2 ALA 25 -10.088 26.514 -6.617 197 HB3 ALA 25 HB3 ALA 25 -9.536 24.935 -6.059 198 H MET 26 H MET 26 -11.025 22.654 -7.498 199 HA MET 26 HA MET 26 -10.456 23.424 -10.182 200 HB2 MET 26 HB3 MET 26 -9.366 21.621 -8.687 201 HB3 MET 26 HB2 MET 26 -10.798 20.701 -9.122 202 HG2 MET 26 HG3 MET 26 -10.391 20.984 -11.408 203 HG3 MET 26 HG2 MET 26 -9.006 22.017 -11.015 204 HE1 MET 26 HE1 MET 26 -7.333 18.858 -12.576 205 HE2 MET 26 HE2 MET 26 -7.650 20.610 -12.678 206 HE3 MET 26 HE3 MET 26 -8.948 19.463 -12.976 207 H GLY 27 H GLY 27 -13.054 21.860 -8.394 208 HA2 GLY 27 HA3 GLY 27 -15.302 21.909 -9.193 209 HA3 GLY 27 HA2 GLY 27 -14.678 21.905 -10.840 210 H LEU 28 H LEU 28 -13.351 19.838 -8.431 211 HA LEU 28 HA LEU 28 -14.401 17.450 -9.840 212 HB2 LEU 28 HB3 LEU 28 -11.944 17.869 -8.167 213 HB3 LEU 28 HB2 LEU 28 -12.520 16.301 -8.678 214 HG LEU 28 HG LEU 28 -11.562 18.496 -10.520 215 HD11 LEU 28 HD11 LEU 28 -10.366 15.861 -9.698 216 HD12 LEU 28 HD12 LEU 28 -9.796 17.445 -9.166 217 HD13 LEU 28 HD13 LEU 28 -9.669 16.984 -10.870 218 HD21 LEU 28 HD21 LEU 28 -12.379 15.670 -10.978 219 HD22 LEU 28 HD22 LEU 28 -11.661 16.741 -12.194 220 HD23 LEU 28 HD23 LEU 28 -13.269 17.098 -11.531 221 H SER 29 H SER 29 -14.714 15.585 -8.514 222 HA SER 29 HA SER 29 -15.876 16.159 -5.909 223 HB2 SER 29 HB3 SER 29 -16.819 14.466 -7.711 224 HB3 SER 29 HB2 SER 29 -15.418 13.501 -7.216 225 HG SER 29 HG SER 29 -16.982 14.376 -5.143 226 H GLU 30 H GLU 30 -14.767 15.329 -4.016 227 HA GLU 30 HA GLU 30 -11.965 15.563 -4.368 228 HB2 GLU 30 HB3 GLU 30 -11.641 15.294 -1.997 229 HB3 GLU 30 HB2 GLU 30 -12.856 16.488 -2.385 230 HG2 GLU 30 HG3 GLU 30 -13.370 15.325 -0.502 231 HG3 GLU 30 HG2 GLU 30 -14.602 14.864 -1.700 232 H ARG 31 H ARG 31 -13.915 12.730 -4.037 233 HA ARG 31 HA ARG 31 -11.812 11.130 -3.452 234 HB2 ARG 31 HB3 ARG 31 -14.559 10.748 -4.386 235 HB3 ARG 31 HB2 ARG 31 -13.476 9.431 -4.755 236 HG2 ARG 31 HG3 ARG 31 -13.911 10.560 -1.986 237 HG3 ARG 31 HG2 ARG 31 -14.728 9.131 -2.627 238 HD2 ARG 31 HD3 ARG 31 -12.566 8.040 -2.961 239 HD3 ARG 31 HD2 ARG 31 -11.739 9.452 -2.326 240 HE ARG 31 HE ARG 31 -13.468 8.706 -0.348 241 HH11 ARG 31 HH11 ARG 31 -10.979 6.966 -2.145 242 HH12 ARG 31 HH12 ARG 31 -10.412 6.097 -0.807 243 HH21 ARG 31 HH21 ARG 31 -12.739 7.461 1.483 244 HH22 ARG 31 HH22 ARG 31 -11.443 6.354 1.296 245 H THR 32 H THR 32 -13.020 12.479 -6.437 246 HA THR 32 HA THR 32 -11.920 10.622 -8.261 247 HB THR 32 HB THR 32 -12.645 13.543 -8.715 248 HG1 THR 32 HG1 THR 32 -14.697 12.730 -9.197 249 HG21 THR 32 HG21 THR 32 -13.076 12.790 -11.004 250 HG22 THR 32 HG22 THR 32 -12.606 11.146 -10.558 251 HG23 THR 32 HG23 THR 32 -11.411 12.441 -10.541 252 H VAL 33 H VAL 33 -10.925 13.753 -6.997 253 HA VAL 33 HA VAL 33 -8.535 14.111 -8.394 254 HB VAL 33 HB VAL 33 -8.648 14.876 -5.550 255 HG11 VAL 33 HG11 VAL 33 -8.034 17.028 -6.461 256 HG12 VAL 33 HG12 VAL 33 -8.124 16.288 -8.068 257 HG13 VAL 33 HG13 VAL 33 -6.906 15.711 -6.896 258 HG21 VAL 33 HG21 VAL 33 -10.612 15.906 -7.522 259 HG22 VAL 33 HG22 VAL 33 -10.117 16.713 -6.006 260 HG23 VAL 33 HG23 VAL 33 -10.836 15.087 -5.955 261 H SER 34 H SER 34 -9.386 12.729 -5.297 262 HA SER 34 HA SER 34 -6.929 12.255 -4.399 263 HB2 SER 34 HB3 SER 34 -9.464 10.770 -3.780 264 HB3 SER 34 HB2 SER 34 -7.969 10.581 -2.868 265 HG SER 34 HG SER 34 -9.553 12.910 -3.194 266 H LEU 35 H LEU 35 -9.063 10.159 -6.344 267 HA LEU 35 HA LEU 35 -7.492 7.842 -6.106 268 HB2 LEU 35 HB3 LEU 35 -9.411 8.540 -8.311 269 HB3 LEU 35 HB2 LEU 35 -8.820 6.940 -7.919 270 HG LEU 35 HG LEU 35 -10.592 8.668 -6.243 271 HD11 LEU 35 HD11 LEU 35 -11.153 6.090 -7.673 272 HD12 LEU 35 HD12 LEU 35 -11.741 7.695 -8.100 273 HD13 LEU 35 HD13 LEU 35 -12.258 6.940 -6.594 274 HD21 LEU 35 HD21 LEU 35 -9.107 7.420 -4.787 275 HD22 LEU 35 HD22 LEU 35 -9.524 5.913 -5.601 276 HD23 LEU 35 HD23 LEU 35 -10.745 6.794 -4.685 277 H LYS 36 H LYS 36 -7.480 10.477 -8.488 278 HA LYS 36 HA LYS 36 -5.734 9.312 -10.296 279 HB2 LYS 36 HB3 LYS 36 -6.468 12.116 -9.659 280 HB3 LYS 36 HB2 LYS 36 -5.351 11.704 -10.939 281 HG2 LYS 36 HG3 LYS 36 -6.972 10.801 -12.264 282 HG3 LYS 36 HG2 LYS 36 -8.009 10.380 -10.886 283 HD2 LYS 36 HD3 LYS 36 -8.289 12.577 -10.425 284 HD3 LYS 36 HD2 LYS 36 -7.416 13.158 -11.857 285 HE2 LYS 36 HE3 LYS 36 -9.906 11.415 -11.886 286 HE3 LYS 36 HE2 LYS 36 -9.922 13.147 -12.185 287 HZ1 LYS 36 HZ1 LYS 36 -8.774 12.894 -14.167 288 HZ2 LYS 36 HZ2 LYS 36 -9.929 11.657 -14.200 289 HZ3 LYS 36 HZ3 LYS 36 -8.331 11.289 -13.885 290 H LEU 37 H LEU 37 -5.453 11.408 -7.557 291 HA LEU 37 HA LEU 37 -2.685 12.001 -7.794 292 HB2 LEU 37 HB3 LEU 37 -4.263 13.527 -6.878 293 HB3 LEU 37 HB2 LEU 37 -4.720 12.503 -5.588 294 HG LEU 37 HG LEU 37 -2.216 12.646 -5.022 295 HD11 LEU 37 HD11 LEU 37 -1.502 13.892 -6.855 296 HD12 LEU 37 HD12 LEU 37 -1.463 14.990 -5.447 297 HD13 LEU 37 HD13 LEU 37 -2.818 15.037 -6.602 298 HD21 LEU 37 HD21 LEU 37 -2.759 14.564 -3.567 299 HD22 LEU 37 HD22 LEU 37 -3.960 13.272 -3.522 300 HD23 LEU 37 HD23 LEU 37 -4.280 14.749 -4.440 301 H ASN 38 H ASN 38 -4.551 9.588 -6.165 302 HA ASN 38 HA ASN 38 -2.311 9.048 -4.545 303 HB2 ASN 38 HB3 ASN 38 -4.710 8.893 -3.687 304 HB3 ASN 38 HB2 ASN 38 -4.811 7.401 -4.568 305 HD21 ASN 38 HD21 ASN 38 -3.141 5.442 -2.243 306 HD22 ASN 38 HD22 ASN 38 -3.979 5.542 -3.745 307 H ASP 39 H ASP 39 -4.303 6.899 -6.698 308 HA ASP 39 HA ASP 39 -1.901 5.504 -7.503 309 HB2 ASP 39 HB3 ASP 39 -2.140 3.456 -6.328 310 HB3 ASP 39 HB2 ASP 39 -2.174 4.756 -5.141 311 H LYS 40 H LYS 40 -5.438 5.900 -7.883 312 HA LYS 40 HA LYS 40 -5.592 3.369 -9.239 313 HB2 LYS 40 HB3 LYS 40 -7.725 5.436 -8.969 314 HB3 LYS 40 HB2 LYS 40 -7.801 3.803 -9.465 315 HG2 LYS 40 HG3 LYS 40 -7.146 2.950 -7.261 316 HG3 LYS 40 HG2 LYS 40 -7.180 4.603 -6.636 317 HD2 LYS 40 HD3 LYS 40 -9.561 4.762 -7.225 318 HD3 LYS 40 HD2 LYS 40 -9.509 3.125 -7.860 319 HE2 LYS 40 HE3 LYS 40 -8.925 2.259 -5.666 320 HE3 LYS 40 HE2 LYS 40 -8.947 3.886 -4.994 321 HZ1 LYS 40 HZ1 LYS 40 -10.983 2.700 -4.510 322 HZ2 LYS 40 HZ2 LYS 40 -11.288 2.445 -6.147 323 HZ3 LYS 40 HZ3 LYS 40 -11.352 3.988 -5.520 324 H VAL 41 H VAL 41 -5.520 6.808 -9.905 325 HA VAL 41 HA VAL 41 -6.081 5.952 -12.626 326 HB VAL 41 HB VAL 41 -7.016 8.656 -12.126 327 HG11 VAL 41 HG11 VAL 41 -8.202 6.154 -12.876 328 HG12 VAL 41 HG12 VAL 41 -7.400 7.233 -14.067 329 HG13 VAL 41 HG13 VAL 41 -8.953 7.703 -13.264 330 HG21 VAL 41 HG21 VAL 41 -8.435 6.409 -10.740 331 HG22 VAL 41 HG22 VAL 41 -9.017 8.074 -10.917 332 HG23 VAL 41 HG23 VAL 41 -7.583 7.729 -9.931 333 H THR 42 H THR 42 -5.599 7.710 -14.181 334 HA THR 42 HA THR 42 -2.857 8.624 -13.684 335 HB THR 42 HB THR 42 -4.246 8.488 -16.326 336 HG1 THR 42 HG1 THR 42 -3.694 6.436 -14.609 337 HG21 THR 42 HG21 THR 42 -2.034 9.479 -16.238 338 HG22 THR 42 HG22 THR 42 -1.981 7.946 -17.118 339 HG23 THR 42 HG23 THR 42 -1.408 8.030 -15.448 340 H TRP 43 H TRP 43 -2.317 10.726 -14.723 341 HA TRP 43 HA TRP 43 -4.566 12.599 -14.821 342 HB2 TRP 43 HB3 TRP 43 -1.615 13.077 -14.439 343 HB3 TRP 43 HB2 TRP 43 -2.732 14.361 -14.852 344 HD1 TRP 43 HD1 TRP 43 -4.861 14.570 -12.934 345 HE1 TRP 43 HE1 TRP 43 -4.563 14.627 -10.385 346 HE3 TRP 43 HE3 TRP 43 -0.283 12.359 -12.623 347 HZ2 TRP 43 HZ2 TRP 43 -2.611 13.830 -8.476 348 HZ3 TRP 43 HZ3 TRP 43 0.725 12.040 -10.413 349 HH2 TRP 43 HH2 TRP 43 -0.412 12.763 -8.394 350 H LYS 44 H LYS 44 -5.212 13.229 -16.726 351 HA LYS 44 HA LYS 44 -3.548 12.879 -19.067 352 HB2 LYS 44 HB3 LYS 44 -6.353 13.925 -18.642 353 HB3 LYS 44 HB2 LYS 44 -5.576 13.798 -20.208 354 HG2 LYS 44 HG3 LYS 44 -6.074 11.463 -18.377 355 HG3 LYS 44 HG2 LYS 44 -7.144 11.940 -19.697 356 HD2 LYS 44 HD3 LYS 44 -5.324 11.641 -21.285 357 HD3 LYS 44 HD2 LYS 44 -4.241 11.165 -19.980 358 HE2 LYS 44 HE3 LYS 44 -5.570 9.206 -19.539 359 HE3 LYS 44 HE2 LYS 44 -6.775 9.711 -20.723 360 HZ1 LYS 44 HZ1 LYS 44 -5.293 8.052 -21.642 361 HZ2 LYS 44 HZ2 LYS 44 -3.944 9.045 -21.349 362 HZ3 LYS 44 HZ3 LYS 44 -5.140 9.525 -22.441 363 H ASP 45 H ASP 45 -3.436 14.868 -20.541 364 HA ASP 45 HA ASP 45 -2.199 16.955 -19.100 365 HB2 ASP 45 HB3 ASP 45 -1.942 18.166 -21.192 366 HB3 ASP 45 HB2 ASP 45 -1.581 16.471 -21.459 367 H ASP 46 H ASP 46 -5.392 16.462 -20.166 368 HA ASP 46 HA ASP 46 -6.509 19.038 -19.947 369 HB2 ASP 46 HB3 ASP 46 -7.758 16.381 -19.203 370 HB3 ASP 46 HB2 ASP 46 -8.632 17.871 -19.523 371 H GLU 47 H GLU 47 -5.877 16.545 -17.592 372 HA GLU 47 HA GLU 47 -7.172 17.786 -15.374 373 HB2 GLU 47 HB3 GLU 47 -4.939 15.751 -15.314 374 HB3 GLU 47 HB2 GLU 47 -6.121 16.070 -14.053 375 HG2 GLU 47 HG3 GLU 47 -6.718 14.892 -16.757 376 HG3 GLU 47 HG2 GLU 47 -6.553 13.981 -15.262 377 H ILE 48 H ILE 48 -3.875 17.409 -16.509 378 HA ILE 48 HA ILE 48 -2.523 18.800 -14.509 379 HB ILE 48 HB ILE 48 -1.779 18.537 -17.442 380 HG12 ILE 48 HG13 ILE 48 -0.946 16.879 -15.042 381 HG13 ILE 48 HG12 ILE 48 -2.094 16.381 -16.277 382 HG21 ILE 48 HG21 ILE 48 0.532 18.982 -16.715 383 HG22 ILE 48 HG22 ILE 48 -0.048 19.278 -15.075 384 HG23 ILE 48 HG23 ILE 48 -0.528 20.352 -16.388 385 HD11 ILE 48 HD11 ILE 48 0.833 16.950 -16.713 386 HD12 ILE 48 HD12 ILE 48 -0.312 16.443 -17.953 387 HD13 ILE 48 HD13 ILE 48 0.083 15.356 -16.622 388 H LEU 49 H LEU 49 -3.727 20.013 -17.697 389 HA LEU 49 HA LEU 49 -2.941 22.592 -17.603 390 HB2 LEU 49 HB3 LEU 49 -5.231 21.112 -18.712 391 HB3 LEU 49 HB2 LEU 49 -5.145 22.818 -18.955 392 HG LEU 49 HG LEU 49 -3.216 20.722 -19.881 393 HD11 LEU 49 HD11 LEU 49 -5.102 22.560 -21.355 394 HD12 LEU 49 HD12 LEU 49 -5.287 20.822 -21.144 395 HD13 LEU 49 HD13 LEU 49 -3.966 21.452 -22.131 396 HD21 LEU 49 HD21 LEU 49 -1.942 22.720 -19.325 397 HD22 LEU 49 HD22 LEU 49 -3.086 23.720 -20.214 398 HD23 LEU 49 HD23 LEU 49 -2.061 22.578 -21.079 399 H LYS 50 H LYS 50 -5.966 21.199 -16.425 400 HA LYS 50 HA LYS 50 -6.827 23.722 -15.616 401 HB2 LYS 50 HB3 LYS 50 -7.944 21.082 -15.568 402 HB3 LYS 50 HB2 LYS 50 -8.593 22.231 -14.384 403 HG2 LYS 50 HG3 LYS 50 -9.863 22.516 -16.335 404 HG3 LYS 50 HG2 LYS 50 -8.817 23.888 -16.215 405 HD2 LYS 50 HD3 LYS 50 -7.233 22.779 -17.837 406 HD3 LYS 50 HD2 LYS 50 -8.459 21.539 -18.098 407 HE2 LYS 50 HE3 LYS 50 -10.033 23.280 -18.854 408 HE3 LYS 50 HE2 LYS 50 -8.773 24.486 -18.568 409 HZ1 LYS 50 HZ1 LYS 50 -8.536 22.284 -20.544 410 HZ2 LYS 50 HZ2 LYS 50 -7.446 23.564 -20.299 411 HZ3 LYS 50 HZ3 LYS 50 -8.977 23.868 -20.891 412 H ALA 51 H ALA 51 -5.135 21.173 -13.990 413 HA ALA 51 HA ALA 51 -5.458 22.213 -11.373 414 HB1 ALA 51 HB1 ALA 51 -3.219 20.514 -12.491 415 HB2 ALA 51 HB2 ALA 51 -4.711 19.899 -11.782 416 HB3 ALA 51 HB3 ALA 51 -3.555 20.781 -10.782 417 H VAL 52 H VAL 52 -3.240 22.852 -14.023 418 HA VAL 52 HA VAL 52 -1.276 24.393 -12.796 419 HB VAL 52 HB VAL 52 -2.503 24.837 -15.550 420 HG11 VAL 52 HG11 VAL 52 -0.433 26.002 -16.157 421 HG12 VAL 52 HG12 VAL 52 0.119 25.877 -14.484 422 HG13 VAL 52 HG13 VAL 52 -1.309 26.833 -14.872 423 HG21 VAL 52 HG21 VAL 52 -1.505 22.611 -15.284 424 HG22 VAL 52 HG22 VAL 52 0.041 23.347 -14.849 425 HG23 VAL 52 HG23 VAL 52 -0.639 23.595 -16.450 426 H HIS 53 H HIS 53 -4.449 25.267 -13.790 427 HA HIS 53 HA HIS 53 -4.136 28.097 -13.463 428 HB2 HIS 53 HB3 HIS 53 -5.707 26.834 -14.981 429 HB3 HIS 53 HB2 HIS 53 -6.667 26.512 -13.570 430 HD1 HIS 53 HD1 HIS 53 -8.506 28.120 -13.144 431 HD2 HIS 53 HD2 HIS 53 -5.436 29.833 -15.338 432 HE1 HIS 53 HE1 HIS 53 -9.301 30.414 -13.725 433 H VAL 54 H VAL 54 -5.142 25.491 -11.462 434 HA VAL 54 HA VAL 54 -6.420 27.329 -9.591 435 HB VAL 54 HB VAL 54 -6.339 24.303 -9.572 436 HG11 VAL 54 HG11 VAL 54 -7.981 26.208 -7.898 437 HG12 VAL 54 HG12 VAL 54 -6.615 25.252 -7.333 438 HG13 VAL 54 HG13 VAL 54 -8.087 24.443 -7.874 439 HG21 VAL 54 HG21 VAL 54 -7.605 25.181 -11.457 440 HG22 VAL 54 HG22 VAL 54 -8.554 26.189 -10.362 441 HG23 VAL 54 HG23 VAL 54 -8.677 24.431 -10.273 442 H LEU 55 H LEU 55 -4.072 24.635 -9.504 443 HA LEU 55 HA LEU 55 -3.227 25.104 -6.901 444 HB2 LEU 55 HB3 LEU 55 -2.725 23.352 -9.201 445 HB3 LEU 55 HB2 LEU 55 -1.600 23.406 -7.917 446 HG LEU 55 HG LEU 55 -3.219 21.654 -7.961 447 HD11 LEU 55 HD11 LEU 55 -3.695 21.744 -5.450 448 HD12 LEU 55 HD12 LEU 55 -3.283 23.456 -5.491 449 HD13 LEU 55 HD13 LEU 55 -2.051 22.244 -5.851 450 HD21 LEU 55 HD21 LEU 55 -5.501 22.006 -7.003 451 HD22 LEU 55 HD22 LEU 55 -5.240 22.697 -8.603 452 HD23 LEU 55 HD23 LEU 55 -5.224 23.740 -7.177 453 H GLU 56 H GLU 56 -2.380 26.605 -9.854 454 HA GLU 56 HA GLU 56 -0.656 27.716 -10.620 455 HB2 GLU 56 HB3 GLU 56 0.311 27.664 -7.759 456 HB3 GLU 56 HB2 GLU 56 1.190 28.474 -9.039 457 HG2 GLU 56 HG3 GLU 56 -0.748 29.938 -9.398 458 HG3 GLU 56 HG2 GLU 56 -1.572 29.138 -8.053 459 H LEU 57 H LEU 57 0.157 26.315 -11.989 460 HA LEU 57 HA LEU 57 2.509 24.830 -11.092 461 HB2 LEU 57 HB3 LEU 57 0.600 23.963 -13.125 462 HB3 LEU 57 HB2 LEU 57 2.024 23.088 -12.675 463 HG LEU 57 HG LEU 57 -0.353 23.485 -10.830 464 HD11 LEU 57 HD11 LEU 57 0.531 21.050 -12.369 465 HD12 LEU 57 HD12 LEU 57 -0.910 22.017 -12.693 466 HD13 LEU 57 HD13 LEU 57 -0.779 21.109 -11.189 467 HD21 LEU 57 HD21 LEU 57 0.768 21.834 -9.420 468 HD22 LEU 57 HD22 LEU 57 1.785 23.256 -9.669 469 HD23 LEU 57 HD23 LEU 57 2.117 21.771 -10.558 470 H ASN 58 H ASN 58 3.806 24.245 -13.070 471 HA ASN 58 HA ASN 58 3.549 26.084 -15.266 472 HB2 ASN 58 HB3 ASN 58 4.920 27.237 -13.579 473 HB3 ASN 58 HB2 ASN 58 5.937 25.817 -13.429 474 HD21 ASN 58 HD21 ASN 58 6.399 28.430 -16.452 475 HD22 ASN 58 HD22 ASN 58 5.011 28.419 -15.416 476 HA PRO 59 HA PRO 59 4.565 22.260 -17.273 477 HB2 PRO 59 HB3 PRO 59 6.137 23.231 -19.349 478 HB3 PRO 59 HB2 PRO 59 4.372 23.147 -19.348 479 HG2 PRO 59 HG3 PRO 59 6.158 25.455 -18.694 480 HG3 PRO 59 HG2 PRO 59 4.663 25.434 -19.651 481 HD2 PRO 59 HD3 PRO 59 4.654 26.310 -17.152 482 HD3 PRO 59 HD2 PRO 59 3.320 25.293 -17.747 483 H GLN 60 H GLN 60 7.115 24.414 -16.269 484 HA GLN 60 HA GLN 60 9.218 22.425 -16.667 485 HB2 GLN 60 HB3 GLN 60 9.333 25.180 -15.450 486 HB3 GLN 60 HB2 GLN 60 10.700 24.208 -15.985 487 HG2 GLN 60 HG3 GLN 60 10.023 24.396 -18.259 488 HG3 GLN 60 HG2 GLN 60 8.512 25.170 -17.794 489 HE21 GLN 60 HE21 GLN 60 11.107 27.621 -18.905 490 HE22 GLN 60 HE22 GLN 60 10.574 26.109 -19.526 491 H ASP 61 H ASP 61 6.995 23.392 -14.341 492 HA ASP 61 HA ASP 61 8.615 22.547 -12.033 493 HB2 ASP 61 HB3 ASP 61 6.976 24.670 -12.207 494 HB3 ASP 61 HB2 ASP 61 5.802 23.406 -11.769 495 H ILE 62 H ILE 62 6.258 21.535 -14.198 496 HA ILE 62 HA ILE 62 4.626 19.807 -12.891 497 HB ILE 62 HB ILE 62 5.768 19.447 -15.652 498 HG12 ILE 62 HG13 ILE 62 4.490 21.488 -15.380 499 HG13 ILE 62 HG12 ILE 62 3.600 20.320 -16.355 500 HG21 ILE 62 HG21 ILE 62 3.882 17.931 -16.096 501 HG22 ILE 62 HG22 ILE 62 3.420 18.019 -14.401 502 HG23 ILE 62 HG23 ILE 62 4.958 17.283 -14.854 503 HD11 ILE 62 HD11 ILE 62 2.208 19.792 -14.414 504 HD12 ILE 62 HD12 ILE 62 2.136 21.494 -14.874 505 HD13 ILE 62 HD13 ILE 62 3.077 21.009 -13.469 506 HA PRO 63 HA PRO 63 7.513 16.049 -13.477 507 HB2 PRO 63 HB3 PRO 63 10.190 16.314 -13.697 508 HB3 PRO 63 HB2 PRO 63 9.059 16.369 -15.059 509 HG2 PRO 63 HG3 PRO 63 10.386 18.630 -13.639 510 HG3 PRO 63 HG2 PRO 63 10.141 18.393 -15.377 511 HD2 PRO 63 HD3 PRO 63 8.597 19.938 -13.748 512 HD3 PRO 63 HD2 PRO 63 8.009 19.251 -15.292 513 H LYS 64 H LYS 64 8.311 18.651 -11.586 514 HA LYS 64 HA LYS 64 9.834 17.291 -9.557 515 HB2 LYS 64 HB3 LYS 64 8.212 19.796 -9.120 516 HB3 LYS 64 HB2 LYS 64 9.585 19.232 -8.198 517 HG2 LYS 64 HG3 LYS 64 10.900 19.594 -10.436 518 HG3 LYS 64 HG2 LYS 64 9.500 20.543 -10.863 519 HD2 LYS 64 HD3 LYS 64 9.682 21.890 -8.844 520 HD3 LYS 64 HD2 LYS 64 11.116 20.997 -8.358 521 HE2 LYS 64 HE3 LYS 64 11.759 23.111 -9.315 522 HE3 LYS 64 HE2 LYS 64 12.254 21.821 -10.405 523 HZ1 LYS 64 HZ1 LYS 64 9.734 23.299 -10.690 524 HZ2 LYS 64 HZ2 LYS 64 10.512 22.389 -11.913 525 HZ3 LYS 64 HZ3 LYS 64 11.143 23.858 -11.384 526 H TYR 65 H TYR 65 6.480 18.225 -10.022 527 HA TYR 65 HA TYR 65 5.660 16.931 -7.553 528 HB2 TYR 65 HB3 TYR 65 4.050 18.390 -9.649 529 HB3 TYR 65 HB2 TYR 65 3.446 17.788 -8.126 530 HD1 TYR 65 HD1 TYR 65 4.437 18.893 -5.960 531 HD2 TYR 65 HD2 TYR 65 4.810 20.626 -9.877 532 HE1 TYR 65 HE1 TYR 65 4.717 21.201 -4.983 533 HE2 TYR 65 HE2 TYR 65 5.117 22.800 -8.880 534 HH TYR 65 HH TYR 65 5.819 23.341 -5.756 535 H PHE 66 H PHE 66 4.791 16.880 -11.009 536 HA PHE 66 HA PHE 66 3.360 14.374 -10.616 537 HB2 PHE 66 HB3 PHE 66 3.214 16.322 -12.922 538 HB3 PHE 66 HB2 PHE 66 2.221 14.892 -12.715 539 HD1 PHE 66 HD1 PHE 66 2.776 18.348 -11.715 540 HD2 PHE 66 HD2 PHE 66 0.434 14.865 -11.050 541 HE1 PHE 66 HE1 PHE 66 1.101 19.703 -10.538 542 HE2 PHE 66 HE2 PHE 66 -1.246 16.216 -9.870 543 HZ PHE 66 HZ PHE 66 -0.913 18.640 -9.613 544 H PHE 67 H PHE 67 5.326 13.195 -10.624 545 HA PHE 67 HA PHE 67 5.823 12.141 -13.249 546 HB2 PHE 67 HB3 PHE 67 7.498 14.153 -12.851 547 HB3 PHE 67 HB2 PHE 67 8.316 12.998 -11.821 548 HD1 PHE 67 HD1 PHE 67 7.595 13.992 -15.209 549 HD2 PHE 67 HD2 PHE 67 9.273 10.920 -12.792 550 HE1 PHE 67 HE1 PHE 67 8.731 13.065 -17.183 551 HE2 PHE 67 HE2 PHE 67 10.413 9.991 -14.762 552 HZ PHE 67 HZ PHE 67 10.144 11.065 -16.959 553 H ASN 68 H ASN 68 7.071 12.303 -9.853 554 HA ASN 68 HA ASN 68 7.642 10.988 -8.426 555 HB2 ASN 68 HB3 ASN 68 5.243 10.505 -8.809 556 HB3 ASN 68 HB2 ASN 68 5.798 9.023 -9.598 557 HD21 ASN 68 HD21 ASN 68 6.216 9.680 -5.630 558 HD22 ASN 68 HD22 ASN 68 5.921 10.922 -6.761 559 H ALA 69 H ALA 69 9.373 9.947 -7.989 560 HA ALA 69 HA ALA 69 10.360 7.975 -9.923 561 HB1 ALA 69 HB1 ALA 69 12.638 8.568 -9.183 562 HB2 ALA 69 HB2 ALA 69 11.960 9.728 -8.044 563 HB3 ALA 69 HB3 ALA 69 11.771 9.987 -9.778 564 H LYS 70 H LYS 70 8.541 7.637 -7.767 565 HA LYS 70 HA LYS 70 9.977 5.630 -6.159 566 HB2 LYS 70 HB3 LYS 70 9.252 7.569 -4.762 567 HB3 LYS 70 HB2 LYS 70 7.621 7.396 -5.369 568 HG2 LYS 70 HG3 LYS 70 7.556 5.134 -4.243 569 HG3 LYS 70 HG2 LYS 70 9.091 5.561 -3.481 570 HD2 LYS 70 HD3 LYS 70 8.097 7.454 -2.389 571 HD3 LYS 70 HD2 LYS 70 6.596 7.244 -3.292 572 HE2 LYS 70 HE3 LYS 70 6.256 6.409 -1.066 573 HE3 LYS 70 HE2 LYS 70 6.304 5.043 -2.172 574 HZ1 LYS 70 HZ1 LYS 70 7.537 4.592 -0.183 575 HZ2 LYS 70 HZ2 LYS 70 8.511 5.940 -0.403 576 HZ3 LYS 70 HZ3 LYS 70 8.617 4.644 -1.471 577 H VAL 71 H VAL 71 8.474 5.847 -8.692 578 HA VAL 71 HA VAL 71 6.338 3.863 -8.197 579 HB VAL 71 HB VAL 71 5.569 6.124 -9.024 580 HG11 VAL 71 HG11 VAL 71 7.020 5.393 -11.517 581 HG12 VAL 71 HG12 VAL 71 7.384 6.713 -10.406 582 HG13 VAL 71 HG13 VAL 71 5.887 6.738 -11.351 583 HG21 VAL 71 HG21 VAL 71 4.124 4.194 -9.397 584 HG22 VAL 71 HG22 VAL 71 4.964 3.838 -10.905 585 HG23 VAL 71 HG23 VAL 71 4.014 5.315 -10.753 586 H HIS 72 H HIS 72 9.211 3.823 -8.802 587 HA HIS 72 HA HIS 72 10.798 2.697 -9.928 588 HB2 HIS 72 HB3 HIS 72 9.370 0.721 -9.393 589 HB3 HIS 72 HB2 HIS 72 8.528 0.943 -10.921 590 HD1 HIS 72 HD1 HIS 72 9.840 0.387 -13.060 591 HD2 HIS 72 HD2 HIS 72 11.838 -0.512 -9.559 592 HE1 HIS 72 HE1 HIS 72 11.780 -1.053 -13.751 Start of MODEL 4 1 H GLY -1 H GLY -1 10.695 14.728 -2.110 2 HA2 GLY -1 HA2 GLY -1 9.913 16.182 -3.869 3 HA3 GLY -1 HA3 GLY -1 10.648 17.098 -2.559 4 H SER 0 H SER 0 13.141 15.924 -2.354 5 HA SER 0 HA SER 0 14.335 16.939 -4.750 6 HB2 SER 0 HB3 SER 0 16.458 16.457 -3.371 7 HB3 SER 0 HB2 SER 0 15.371 17.724 -2.800 8 HG SER 0 HG SER 0 14.693 16.468 -1.192 9 H MET 1 H MET 1 13.744 13.883 -3.246 10 HA MET 1 HA MET 1 15.239 12.479 -5.330 11 HB2 MET 1 HB3 MET 1 15.438 11.713 -2.933 12 HB3 MET 1 HB2 MET 1 13.714 11.375 -2.945 13 HG2 MET 1 HG3 MET 1 14.042 9.700 -4.681 14 HG3 MET 1 HG2 MET 1 15.768 10.043 -4.701 15 HE1 MET 1 HE1 MET 1 16.400 7.557 -4.359 16 HE2 MET 1 HE2 MET 1 14.692 7.107 -4.390 17 HE3 MET 1 HE3 MET 1 15.738 6.512 -3.104 18 H SER 2 H SER 2 14.155 11.535 -7.001 19 HA SER 2 HA SER 2 12.623 11.323 -8.552 20 HB2 SER 2 HB3 SER 2 10.462 10.196 -7.941 21 HB3 SER 2 HB2 SER 2 11.851 9.418 -7.207 22 HG SER 2 HG SER 2 11.074 11.171 -5.457 23 H TYR 3 H TYR 3 9.876 11.896 -8.775 24 HA TYR 3 HA TYR 3 9.944 14.743 -8.995 25 HB2 TYR 3 HB3 TYR 3 7.423 13.076 -8.992 26 HB3 TYR 3 HB2 TYR 3 7.728 14.583 -9.823 27 HD1 TYR 3 HD1 TYR 3 9.219 14.557 -11.885 28 HD2 TYR 3 HD2 TYR 3 7.838 11.024 -9.997 29 HE1 TYR 3 HE1 TYR 3 9.652 13.290 -13.941 30 HE2 TYR 3 HE2 TYR 3 8.271 9.740 -11.986 31 HH TYR 3 HH TYR 3 10.128 10.922 -14.548 32 H ASP 4 H ASP 4 7.847 12.652 -7.280 33 HA ASP 4 HA ASP 4 6.854 12.538 -5.282 34 HB2 ASP 4 HB3 ASP 4 9.043 12.500 -4.337 35 HB3 ASP 4 HB2 ASP 4 9.151 14.255 -4.393 36 H TYR 5 H TYR 5 5.192 13.323 -4.182 37 HA TYR 5 HA TYR 5 4.059 15.663 -5.375 38 HB2 TYR 5 HB3 TYR 5 2.840 13.863 -3.281 39 HB3 TYR 5 HB2 TYR 5 2.012 15.099 -4.210 40 HD1 TYR 5 HD1 TYR 5 1.777 14.795 -6.731 41 HD2 TYR 5 HD2 TYR 5 3.154 11.717 -4.111 42 HE1 TYR 5 HE1 TYR 5 1.313 13.096 -8.452 43 HE2 TYR 5 HE2 TYR 5 2.673 10.036 -5.823 44 HH TYR 5 HH TYR 5 1.143 9.833 -7.808 45 H SER 6 H SER 6 6.163 15.603 -2.826 46 HA SER 6 HA SER 6 4.765 17.135 -0.919 47 HB2 SER 6 HB3 SER 6 7.734 17.151 -1.513 48 HB3 SER 6 HB2 SER 6 6.972 17.766 -0.044 49 HG SER 6 HG SER 6 7.382 15.170 -0.925 50 H SER 7 H SER 7 6.469 17.997 -3.858 51 HA SER 7 HA SER 7 6.535 20.776 -3.609 52 HB2 SER 7 HB3 SER 7 6.085 19.184 -6.132 53 HB3 SER 7 HB2 SER 7 6.941 20.717 -5.965 54 HG SER 7 HG SER 7 7.914 18.283 -5.853 55 H LEU 8 H LEU 8 4.117 18.499 -4.685 56 HA LEU 8 HA LEU 8 2.335 20.473 -5.752 57 HB2 LEU 8 HB3 LEU 8 2.760 18.076 -6.592 58 HB3 LEU 8 HB2 LEU 8 1.806 17.532 -5.256 59 HG LEU 8 HG LEU 8 0.667 19.351 -7.410 60 HD11 LEU 8 HD11 LEU 8 -0.298 17.361 -8.381 61 HD12 LEU 8 HD12 LEU 8 0.480 16.357 -7.163 62 HD13 LEU 8 HD13 LEU 8 1.458 17.199 -8.364 63 HD21 LEU 8 HD21 LEU 8 -0.555 17.470 -5.484 64 HD22 LEU 8 HD22 LEU 8 -1.421 18.553 -6.604 65 HD23 LEU 8 HD23 LEU 8 -0.472 19.223 -5.254 66 H LEU 9 H LEU 9 2.339 18.282 -2.911 67 HA LEU 9 HA LEU 9 -0.032 18.986 -1.746 68 HB2 LEU 9 HB3 LEU 9 1.733 17.153 -1.400 69 HB3 LEU 9 HB2 LEU 9 2.548 18.312 -0.393 70 HG LEU 9 HG LEU 9 1.366 16.634 0.735 71 HD11 LEU 9 HD11 LEU 9 0.110 18.074 2.397 72 HD12 LEU 9 HD12 LEU 9 0.221 19.402 1.242 73 HD13 LEU 9 HD13 LEU 9 1.686 18.726 1.951 74 HD21 LEU 9 HD21 LEU 9 -0.480 16.194 -0.684 75 HD22 LEU 9 HD22 LEU 9 -1.155 17.801 -0.405 76 HD23 LEU 9 HD23 LEU 9 -1.111 16.624 0.904 77 H GLY 10 H GLY 10 3.183 20.461 -1.625 78 HA2 GLY 10 HA3 GLY 10 2.764 22.296 0.436 79 HA3 GLY 10 HA2 GLY 10 3.935 22.473 -0.862 80 H LYS 11 H LYS 11 2.279 22.670 -3.114 81 HA LYS 11 HA LYS 11 1.453 25.326 -2.920 82 HB2 LYS 11 HB3 LYS 11 1.226 23.202 -5.023 83 HB3 LYS 11 HB2 LYS 11 0.642 24.843 -5.231 84 HG2 LYS 11 HG3 LYS 11 3.453 24.080 -4.578 85 HG3 LYS 11 HG2 LYS 11 2.869 24.467 -6.208 86 HD2 LYS 11 HD3 LYS 11 2.288 26.721 -5.498 87 HD3 LYS 11 HD2 LYS 11 2.777 26.366 -3.846 88 HE2 LYS 11 HE3 LYS 11 5.060 25.980 -4.629 89 HE3 LYS 11 HE2 LYS 11 4.568 26.408 -6.263 90 HZ1 LYS 11 HZ1 LYS 11 5.604 28.263 -4.960 91 HZ2 LYS 11 HZ2 LYS 11 4.215 28.277 -3.973 92 HZ3 LYS 11 HZ3 LYS 11 4.098 28.599 -5.602 93 H ILE 12 H ILE 12 -0.141 22.266 -2.931 94 HA ILE 12 HA ILE 12 -2.807 23.110 -3.061 95 HB ILE 12 HB ILE 12 -1.689 20.834 -1.400 96 HG12 ILE 12 HG13 ILE 12 -2.989 20.851 -4.125 97 HG13 ILE 12 HG12 ILE 12 -1.281 20.580 -3.786 98 HG21 ILE 12 HG21 ILE 12 -4.537 21.417 -2.172 99 HG22 ILE 12 HG22 ILE 12 -3.855 21.492 -0.546 100 HG23 ILE 12 HG23 ILE 12 -3.978 19.943 -1.381 101 HD11 ILE 12 HD11 ILE 12 -2.413 18.491 -4.232 102 HD12 ILE 12 HD12 ILE 12 -3.563 18.817 -2.936 103 HD13 ILE 12 HD13 ILE 12 -1.858 18.547 -2.557 104 H THR 13 H THR 13 -0.701 22.772 -0.262 105 HA THR 13 HA THR 13 -2.670 23.595 1.603 106 HB THR 13 HB THR 13 0.338 23.681 1.980 107 HG1 THR 13 HG1 THR 13 -0.399 21.572 1.239 108 HG21 THR 13 HG21 THR 13 -1.995 23.367 3.878 109 HG22 THR 13 HG22 THR 13 -0.937 24.765 3.754 110 HG23 THR 13 HG23 THR 13 -0.300 23.224 4.348 111 H GLU 14 H GLU 14 -0.369 25.299 -0.407 112 HA GLU 14 HA GLU 14 -0.235 27.672 1.020 113 HB2 GLU 14 HB3 GLU 14 1.414 26.672 -0.514 114 HB3 GLU 14 HB2 GLU 14 0.305 26.928 -1.806 115 HG2 GLU 14 HG3 GLU 14 0.374 29.174 -1.686 116 HG3 GLU 14 HG2 GLU 14 1.340 29.235 -0.203 117 H LYS 15 H LYS 15 -1.999 26.521 -1.789 118 HA LYS 15 HA LYS 15 -3.153 29.139 -2.210 119 HB2 LYS 15 HB3 LYS 15 -2.368 26.905 -3.708 120 HB3 LYS 15 HB2 LYS 15 -4.059 27.272 -4.002 121 HG2 LYS 15 HG3 LYS 15 -2.644 28.495 -5.610 122 HG3 LYS 15 HG2 LYS 15 -3.312 29.658 -4.461 123 HD2 LYS 15 HD3 LYS 15 -1.204 29.394 -3.115 124 HD3 LYS 15 HD2 LYS 15 -0.560 28.449 -4.450 125 HE2 LYS 15 HE3 LYS 15 -1.503 31.299 -4.615 126 HE3 LYS 15 HE2 LYS 15 0.174 30.771 -4.551 127 HZ1 LYS 15 HZ1 LYS 15 -0.518 31.268 -6.782 128 HZ2 LYS 15 HZ2 LYS 15 -1.791 30.207 -6.686 129 HZ3 LYS 15 HZ3 LYS 15 -0.190 29.611 -6.669 130 H CYS 16 H CYS 16 -4.106 25.844 -1.383 131 HA CYS 16 HA CYS 16 -6.851 26.661 -1.599 132 HB2 CYS 16 HB3 CYS 16 -5.450 24.023 -1.751 133 HB3 CYS 16 HB2 CYS 16 -7.181 24.269 -1.845 134 HG CYS 16 HG CYS 16 -6.761 26.038 -4.144 135 H GLY 17 H GLY 17 -4.385 25.092 0.330 136 HA2 GLY 17 HA3 GLY 17 -4.656 25.447 2.812 137 HA3 GLY 17 HA2 GLY 17 -6.313 25.140 2.442 138 H THR 18 H THR 18 -6.777 23.165 1.292 139 HA THR 18 HA THR 18 -5.226 20.911 2.335 140 HB THR 18 HB THR 18 -7.310 19.851 3.107 141 HG1 THR 18 HG1 THR 18 -9.088 21.653 3.216 142 HG21 THR 18 HG21 THR 18 -7.832 21.425 4.992 143 HG22 THR 18 HG22 THR 18 -6.882 22.647 4.097 144 HG23 THR 18 HG23 THR 18 -6.093 21.209 4.708 145 H GLN 19 H GLN 19 -6.037 18.860 1.281 146 HA GLN 19 HA GLN 19 -6.157 19.155 -1.542 147 HB2 GLN 19 HB3 GLN 19 -6.568 16.702 0.199 148 HB3 GLN 19 HB2 GLN 19 -6.433 16.673 -1.548 149 HG2 GLN 19 HG3 GLN 19 -4.278 16.080 -0.800 150 HG3 GLN 19 HG2 GLN 19 -4.277 17.796 -1.254 151 HE21 GLN 19 HE21 GLN 19 -3.576 16.764 2.586 152 HE22 GLN 19 HE22 GLN 19 -4.239 15.622 1.470 153 H TYR 20 H TYR 20 -8.264 18.782 0.943 154 HA TYR 20 HA TYR 20 -10.686 18.070 -0.340 155 HB2 TYR 20 HB3 TYR 20 -10.221 18.331 2.176 156 HB3 TYR 20 HB2 TYR 20 -10.482 20.026 1.909 157 HD1 TYR 20 HD1 TYR 20 -12.200 16.825 1.219 158 HD2 TYR 20 HD2 TYR 20 -12.577 20.932 2.158 159 HE1 TYR 20 HE1 TYR 20 -14.637 16.525 1.456 160 HE2 TYR 20 HE2 TYR 20 -15.024 20.672 2.401 161 HH TYR 20 HH TYR 20 -16.530 17.658 2.639 162 H ASN 21 H ASN 21 -9.546 21.252 0.690 163 HA ASN 21 HA ASN 21 -11.406 22.840 -0.655 164 HB2 ASN 21 HB3 ASN 21 -8.528 23.477 -0.034 165 HB3 ASN 21 HB2 ASN 21 -9.719 24.650 -0.537 166 HD21 ASN 21 HD21 ASN 21 -9.131 24.614 3.184 167 HD22 ASN 21 HD22 ASN 21 -8.187 24.766 1.768 168 H PHE 22 H PHE 22 -8.309 21.663 -1.643 169 HA PHE 22 HA PHE 22 -7.832 22.729 -4.154 170 HB2 PHE 22 HB3 PHE 22 -6.449 21.118 -2.780 171 HB3 PHE 22 HB2 PHE 22 -7.519 19.873 -3.301 172 HD1 PHE 22 HD1 PHE 22 -7.097 18.615 -5.165 173 HD2 PHE 22 HD2 PHE 22 -5.161 22.371 -4.728 174 HE1 PHE 22 HE1 PHE 22 -5.684 18.103 -7.113 175 HE2 PHE 22 HE2 PHE 22 -3.744 21.867 -6.685 176 HZ PHE 22 HZ PHE 22 -4.006 19.736 -7.875 177 H ALA 23 H ALA 23 -9.461 19.705 -3.397 178 HA ALA 23 HA ALA 23 -10.456 18.996 -5.896 179 HB1 ALA 23 HB1 ALA 23 -11.804 18.524 -3.232 180 HB2 ALA 23 HB2 ALA 23 -10.503 17.549 -3.884 181 HB3 ALA 23 HB3 ALA 23 -12.066 17.600 -4.711 182 H ILE 24 H ILE 24 -12.031 20.941 -3.330 183 HA ILE 24 HA ILE 24 -14.512 21.397 -4.403 184 HB ILE 24 HB ILE 24 -12.814 23.337 -2.851 185 HG12 ILE 24 HG13 ILE 24 -12.988 21.160 -1.711 186 HG13 ILE 24 HG12 ILE 24 -13.819 22.431 -0.882 187 HG21 ILE 24 HG21 ILE 24 -14.761 24.436 -3.812 188 HG22 ILE 24 HG22 ILE 24 -14.944 24.285 -2.063 189 HG23 ILE 24 HG23 ILE 24 -15.820 23.197 -3.136 190 HD11 ILE 24 HD11 ILE 24 -15.953 21.578 -1.716 191 HD12 ILE 24 HD12 ILE 24 -15.039 20.361 -0.818 192 HD13 ILE 24 HD13 ILE 24 -15.084 20.302 -2.585 193 H ALA 25 H ALA 25 -11.570 23.345 -4.768 194 HA ALA 25 HA ALA 25 -12.692 25.369 -6.395 195 HB1 ALA 25 HB1 ALA 25 -10.650 25.703 -5.078 196 HB2 ALA 25 HB2 ALA 25 -10.385 26.082 -6.779 197 HB3 ALA 25 HB3 ALA 25 -9.800 24.556 -6.114 198 H MET 26 H MET 26 -11.031 22.384 -7.123 199 HA MET 26 HA MET 26 -10.919 22.910 -9.951 200 HB2 MET 26 HB3 MET 26 -10.251 20.512 -8.298 201 HB3 MET 26 HB2 MET 26 -10.157 20.462 -10.042 202 HG2 MET 26 HG3 MET 26 -8.552 22.386 -9.909 203 HG3 MET 26 HG2 MET 26 -8.590 22.208 -8.156 204 HE1 MET 26 HE1 MET 26 -8.663 19.322 -10.904 205 HE2 MET 26 HE2 MET 26 -6.938 18.999 -11.050 206 HE3 MET 26 HE3 MET 26 -7.589 20.551 -11.571 207 H GLY 27 H GLY 27 -13.407 21.979 -7.991 208 HA2 GLY 27 HA3 GLY 27 -15.548 21.327 -8.533 209 HA3 GLY 27 HA2 GLY 27 -15.060 21.274 -10.225 210 H LEU 28 H LEU 28 -13.455 19.582 -7.647 211 HA LEU 28 HA LEU 28 -14.174 17.020 -8.889 212 HB2 LEU 28 HB3 LEU 28 -11.738 17.891 -7.366 213 HB3 LEU 28 HB2 LEU 28 -12.086 16.230 -7.787 214 HG LEU 28 HG LEU 28 -11.626 18.434 -9.801 215 HD11 LEU 28 HD11 LEU 28 -9.444 17.351 -10.100 216 HD12 LEU 28 HD12 LEU 28 -9.845 16.237 -8.786 217 HD13 LEU 28 HD13 LEU 28 -9.634 17.955 -8.447 218 HD21 LEU 28 HD21 LEU 28 -12.986 16.601 -10.623 219 HD22 LEU 28 HD22 LEU 28 -11.799 15.457 -9.983 220 HD23 LEU 28 HD23 LEU 28 -11.353 16.531 -11.315 221 H SER 29 H SER 29 -14.028 15.255 -7.346 222 HA SER 29 HA SER 29 -15.017 15.965 -4.685 223 HB2 SER 29 HB3 SER 29 -16.314 14.306 -6.202 224 HB3 SER 29 HB2 SER 29 -14.898 13.262 -5.986 225 HG SER 29 HG SER 29 -16.598 14.244 -3.977 226 H GLU 30 H GLU 30 -13.832 15.125 -2.949 227 HA GLU 30 HA GLU 30 -11.058 15.272 -3.311 228 HB2 GLU 30 HB3 GLU 30 -10.893 14.461 -0.924 229 HB3 GLU 30 HB2 GLU 30 -11.664 15.996 -1.248 230 HG2 GLU 30 HG3 GLU 30 -12.616 14.663 0.443 231 HG3 GLU 30 HG2 GLU 30 -13.839 15.070 -0.781 232 H ARG 31 H ARG 31 -12.990 12.413 -2.938 233 HA ARG 31 HA ARG 31 -10.881 10.666 -2.651 234 HB2 ARG 31 HB3 ARG 31 -13.320 10.239 -2.388 235 HB3 ARG 31 HB2 ARG 31 -13.383 10.054 -4.121 236 HG2 ARG 31 HG3 ARG 31 -11.616 8.339 -4.039 237 HG3 ARG 31 HG2 ARG 31 -11.697 8.407 -2.279 238 HD2 ARG 31 HD3 ARG 31 -13.972 7.710 -2.325 239 HD3 ARG 31 HD2 ARG 31 -13.937 7.772 -4.100 240 HE ARG 31 HE ARG 31 -11.967 6.062 -2.889 241 HH11 ARG 31 HH11 ARG 31 -15.270 6.152 -4.129 242 HH12 ARG 31 HH12 ARG 31 -15.318 4.518 -4.597 243 HH21 ARG 31 HH21 ARG 31 -12.027 3.751 -3.476 244 HH22 ARG 31 HH22 ARG 31 -13.414 3.105 -4.181 245 H THR 32 H THR 32 -12.459 12.028 -5.384 246 HA THR 32 HA THR 32 -11.441 10.313 -7.401 247 HB THR 32 HB THR 32 -12.465 13.152 -7.739 248 HG1 THR 32 HG1 THR 32 -14.445 11.675 -8.240 249 HG21 THR 32 HG21 THR 32 -12.532 10.748 -9.588 250 HG22 THR 32 HG22 THR 32 -11.454 12.131 -9.753 251 HG23 THR 32 HG23 THR 32 -13.193 12.343 -9.952 252 H VAL 33 H VAL 33 -10.458 13.466 -6.089 253 HA VAL 33 HA VAL 33 -8.256 13.828 -7.796 254 HB VAL 33 HB VAL 33 -7.915 14.656 -5.012 255 HG11 VAL 33 HG11 VAL 33 -7.908 15.958 -7.632 256 HG12 VAL 33 HG12 VAL 33 -6.474 15.567 -6.621 257 HG13 VAL 33 HG13 VAL 33 -7.657 16.844 -6.143 258 HG21 VAL 33 HG21 VAL 33 -10.180 15.708 -6.572 259 HG22 VAL 33 HG22 VAL 33 -9.365 16.421 -5.124 260 HG23 VAL 33 HG23 VAL 33 -10.103 14.799 -5.024 261 H SER 34 H SER 34 -8.727 12.519 -4.562 262 HA SER 34 HA SER 34 -6.116 12.031 -4.021 263 HB2 SER 34 HB3 SER 34 -8.559 10.720 -2.879 264 HB3 SER 34 HB2 SER 34 -6.940 10.582 -2.184 265 HG SER 34 HG SER 34 -8.615 12.822 -2.424 266 H LEU 35 H LEU 35 -8.281 10.065 -5.944 267 HA LEU 35 HA LEU 35 -6.639 7.723 -5.843 268 HB2 LEU 35 HB3 LEU 35 -8.560 8.662 -7.991 269 HB3 LEU 35 HB2 LEU 35 -7.861 7.063 -7.900 270 HG LEU 35 HG LEU 35 -9.780 8.248 -5.892 271 HD11 LEU 35 HD11 LEU 35 -11.375 6.627 -6.786 272 HD12 LEU 35 HD12 LEU 35 -10.202 6.148 -8.011 273 HD13 LEU 35 HD13 LEU 35 -10.859 7.786 -8.010 274 HD21 LEU 35 HD21 LEU 35 -8.611 5.470 -6.101 275 HD22 LEU 35 HD22 LEU 35 -9.878 5.966 -4.982 276 HD23 LEU 35 HD23 LEU 35 -8.264 6.655 -4.840 277 H LYS 36 H LYS 36 -6.885 10.407 -8.166 278 HA LYS 36 HA LYS 36 -4.813 9.594 -9.801 279 HB2 LYS 36 HB3 LYS 36 -6.069 12.221 -9.215 280 HB3 LYS 36 HB2 LYS 36 -4.843 12.007 -10.452 281 HG2 LYS 36 HG3 LYS 36 -6.234 10.923 -11.844 282 HG3 LYS 36 HG2 LYS 36 -7.112 10.140 -10.522 283 HD2 LYS 36 HD3 LYS 36 -8.079 12.081 -9.934 284 HD3 LYS 36 HD2 LYS 36 -7.296 13.059 -11.195 285 HE2 LYS 36 HE3 LYS 36 -9.211 10.740 -11.641 286 HE3 LYS 36 HE2 LYS 36 -9.624 12.439 -11.853 287 HZ1 LYS 36 HZ1 LYS 36 -8.098 12.625 -13.633 288 HZ2 LYS 36 HZ2 LYS 36 -9.058 11.252 -13.945 289 HZ3 LYS 36 HZ3 LYS 36 -7.493 11.064 -13.407 290 H LEU 37 H LEU 37 -5.144 11.710 -7.087 291 HA LEU 37 HA LEU 37 -2.500 12.734 -7.013 292 HB2 LEU 37 HB3 LEU 37 -4.210 14.177 -6.542 293 HB3 LEU 37 HB2 LEU 37 -5.063 13.364 -5.339 294 HG LEU 37 HG LEU 37 -2.778 13.645 -4.133 295 HD11 LEU 37 HD11 LEU 37 -1.651 14.675 -5.926 296 HD12 LEU 37 HD12 LEU 37 -1.899 15.898 -4.653 297 HD13 LEU 37 HD13 LEU 37 -2.968 15.843 -6.081 298 HD21 LEU 37 HD21 LEU 37 -3.717 15.689 -3.096 299 HD22 LEU 37 HD22 LEU 37 -4.889 14.380 -3.255 300 HD23 LEU 37 HD23 LEU 37 -4.924 15.736 -4.383 301 H ASN 38 H ASN 38 -3.421 9.803 -6.285 302 HA ASN 38 HA ASN 38 -1.286 9.631 -4.285 303 HB2 ASN 38 HB3 ASN 38 -3.673 9.133 -3.433 304 HB3 ASN 38 HB2 ASN 38 -3.553 7.661 -4.356 305 HD21 ASN 38 HD21 ASN 38 -1.525 5.948 -2.113 306 HD22 ASN 38 HD22 ASN 38 -2.188 6.055 -3.707 307 H ASP 39 H ASP 39 -2.227 8.870 -7.320 308 HA ASP 39 HA ASP 39 -1.488 7.708 -8.997 309 HB2 ASP 39 HB3 ASP 39 0.843 7.910 -8.336 310 HB3 ASP 39 HB2 ASP 39 0.675 6.610 -7.164 311 H LYS 40 H LYS 40 -3.718 6.888 -8.090 312 HA LYS 40 HA LYS 40 -3.617 3.999 -8.499 313 HB2 LYS 40 HB3 LYS 40 -6.005 5.746 -8.457 314 HB3 LYS 40 HB2 LYS 40 -5.830 4.069 -8.088 315 HG2 LYS 40 HG3 LYS 40 -4.614 6.130 -6.283 316 HG3 LYS 40 HG2 LYS 40 -6.188 5.432 -5.962 317 HD2 LYS 40 HD3 LYS 40 -5.122 3.188 -5.905 318 HD3 LYS 40 HD2 LYS 40 -3.554 3.944 -6.189 319 HE2 LYS 40 HE3 LYS 40 -3.834 5.222 -4.085 320 HE3 LYS 40 HE2 LYS 40 -5.355 4.372 -3.806 321 HZ1 LYS 40 HZ1 LYS 40 -2.691 3.053 -4.000 322 HZ2 LYS 40 HZ2 LYS 40 -4.168 2.313 -3.636 323 HZ3 LYS 40 HZ3 LYS 40 -3.505 3.411 -2.576 324 H VAL 41 H VAL 41 -4.116 7.125 -9.905 325 HA VAL 41 HA VAL 41 -4.612 5.944 -12.472 326 HB VAL 41 HB VAL 41 -6.325 8.183 -12.140 327 HG11 VAL 41 HG11 VAL 41 -6.452 6.488 -13.837 328 HG12 VAL 41 HG12 VAL 41 -7.998 6.658 -12.919 329 HG13 VAL 41 HG13 VAL 41 -6.834 5.385 -12.489 330 HG21 VAL 41 HG21 VAL 41 -7.046 5.973 -10.226 331 HG22 VAL 41 HG22 VAL 41 -8.055 7.365 -10.653 332 HG23 VAL 41 HG23 VAL 41 -6.535 7.605 -9.779 333 H THR 42 H THR 42 -4.773 8.084 -13.900 334 HA THR 42 HA THR 42 -2.751 9.928 -12.865 335 HB THR 42 HB THR 42 -2.355 10.417 -15.336 336 HG1 THR 42 HG1 THR 42 -3.045 8.211 -16.430 337 HG21 THR 42 HG21 THR 42 -0.812 9.009 -14.019 338 HG22 THR 42 HG22 THR 42 -0.950 8.418 -15.675 339 HG23 THR 42 HG23 THR 42 -1.812 7.599 -14.373 340 H TRP 43 H TRP 43 -2.998 12.159 -13.537 341 HA TRP 43 HA TRP 43 -5.754 13.059 -13.607 342 HB2 TRP 43 HB3 TRP 43 -3.130 14.558 -13.805 343 HB3 TRP 43 HB2 TRP 43 -4.689 15.336 -13.816 344 HD1 TRP 43 HD1 TRP 43 -6.025 15.371 -11.442 345 HE1 TRP 43 HE1 TRP 43 -5.109 15.318 -9.039 346 HE3 TRP 43 HE3 TRP 43 -1.348 13.535 -12.385 347 HZ2 TRP 43 HZ2 TRP 43 -2.704 14.589 -7.709 348 HZ3 TRP 43 HZ3 TRP 43 0.184 13.200 -10.498 349 HH2 TRP 43 HH2 TRP 43 -0.508 13.728 -8.205 350 H LYS 44 H LYS 44 -6.759 13.920 -15.448 351 HA LYS 44 HA LYS 44 -5.555 13.313 -17.922 352 HB2 LYS 44 HB3 LYS 44 -8.019 14.935 -17.279 353 HB3 LYS 44 HB2 LYS 44 -7.455 14.641 -18.909 354 HG2 LYS 44 HG3 LYS 44 -8.952 12.944 -18.776 355 HG3 LYS 44 HG2 LYS 44 -7.576 12.118 -18.050 356 HD2 LYS 44 HD3 LYS 44 -9.346 11.680 -16.638 357 HD3 LYS 44 HD2 LYS 44 -8.456 12.951 -15.820 358 HE2 LYS 44 HE3 LYS 44 -10.013 14.656 -16.717 359 HE3 LYS 44 HE2 LYS 44 -10.930 13.382 -17.511 360 HZ1 LYS 44 HZ1 LYS 44 -11.436 12.475 -15.295 361 HZ2 LYS 44 HZ2 LYS 44 -12.012 14.033 -15.504 362 HZ3 LYS 44 HZ3 LYS 44 -10.633 13.786 -14.567 363 H ASP 45 H ASP 45 -5.038 15.053 -19.514 364 HA ASP 45 HA ASP 45 -3.306 16.994 -18.514 365 HB2 ASP 45 HB3 ASP 45 -3.152 16.218 -20.795 366 HB3 ASP 45 HB2 ASP 45 -4.759 16.842 -21.133 367 H ASP 46 H ASP 46 -6.632 17.225 -19.430 368 HA ASP 46 HA ASP 46 -7.177 19.940 -19.093 369 HB2 ASP 46 HB3 ASP 46 -8.876 18.577 -20.013 370 HB3 ASP 46 HB2 ASP 46 -8.852 17.480 -18.639 371 H GLU 47 H GLU 47 -6.822 17.455 -16.653 372 HA GLU 47 HA GLU 47 -7.893 19.109 -14.553 373 HB2 GLU 47 HB3 GLU 47 -6.353 16.509 -14.368 374 HB3 GLU 47 HB2 GLU 47 -7.276 17.255 -13.064 375 HG2 GLU 47 HG3 GLU 47 -9.320 16.981 -14.339 376 HG3 GLU 47 HG2 GLU 47 -8.416 16.269 -15.666 377 H ILE 48 H ILE 48 -4.816 18.195 -15.837 378 HA ILE 48 HA ILE 48 -3.205 19.358 -13.832 379 HB ILE 48 HB ILE 48 -2.525 18.910 -16.763 380 HG12 ILE 48 HG13 ILE 48 -2.044 17.121 -14.361 381 HG13 ILE 48 HG12 ILE 48 -3.266 16.857 -15.595 382 HG21 ILE 48 HG21 ILE 48 -0.727 19.295 -14.356 383 HG22 ILE 48 HG22 ILE 48 -0.968 20.454 -15.661 384 HG23 ILE 48 HG23 ILE 48 -0.180 18.913 -15.988 385 HD11 ILE 48 HD11 ILE 48 -1.495 16.578 -17.271 386 HD12 ILE 48 HD12 ILE 48 -1.361 15.427 -15.943 387 HD13 ILE 48 HD13 ILE 48 -0.284 16.825 -16.008 388 H LEU 49 H LEU 49 -4.393 20.611 -17.044 389 HA LEU 49 HA LEU 49 -3.283 23.059 -17.212 390 HB2 LEU 49 HB3 LEU 49 -6.063 22.119 -17.753 391 HB3 LEU 49 HB2 LEU 49 -5.399 23.594 -18.355 392 HG LEU 49 HG LEU 49 -4.535 20.816 -19.108 393 HD11 LEU 49 HD11 LEU 49 -5.968 22.923 -20.709 394 HD12 LEU 49 HD12 LEU 49 -6.780 21.677 -19.803 395 HD13 LEU 49 HD13 LEU 49 -5.706 21.221 -21.145 396 HD21 LEU 49 HD21 LEU 49 -3.189 21.934 -20.830 397 HD22 LEU 49 HD22 LEU 49 -2.660 22.417 -19.220 398 HD23 LEU 49 HD23 LEU 49 -3.656 23.507 -20.184 399 H LYS 50 H LYS 50 -6.185 22.002 -15.625 400 HA LYS 50 HA LYS 50 -7.296 24.423 -14.864 401 HB2 LYS 50 HB3 LYS 50 -8.005 21.881 -14.960 402 HB3 LYS 50 HB2 LYS 50 -7.711 22.033 -13.252 403 HG2 LYS 50 HG3 LYS 50 -9.313 23.623 -12.907 404 HG3 LYS 50 HG2 LYS 50 -9.431 24.070 -14.616 405 HD2 LYS 50 HD3 LYS 50 -10.293 21.463 -13.375 406 HD3 LYS 50 HD2 LYS 50 -11.315 22.851 -13.812 407 HE2 LYS 50 HE3 LYS 50 -10.988 22.604 -16.037 408 HE3 LYS 50 HE2 LYS 50 -9.527 21.652 -15.866 409 HZ1 LYS 50 HZ1 LYS 50 -11.194 20.101 -16.498 410 HZ2 LYS 50 HZ2 LYS 50 -12.380 20.863 -15.583 411 HZ3 LYS 50 HZ3 LYS 50 -11.218 19.932 -14.816 412 H ALA 51 H ALA 51 -5.273 22.076 -13.121 413 HA ALA 51 HA ALA 51 -5.282 23.460 -10.662 414 HB1 ALA 51 HB1 ALA 51 -3.310 21.419 -11.675 415 HB2 ALA 51 HB2 ALA 51 -4.817 21.065 -10.829 416 HB3 ALA 51 HB3 ALA 51 -3.520 21.923 -9.998 417 H VAL 52 H VAL 52 -3.026 23.403 -13.379 418 HA VAL 52 HA VAL 52 -0.915 24.969 -12.368 419 HB VAL 52 HB VAL 52 -2.012 24.889 -15.205 420 HG11 VAL 52 HG11 VAL 52 -0.561 26.841 -14.890 421 HG12 VAL 52 HG12 VAL 52 0.191 25.648 -15.943 422 HG13 VAL 52 HG13 VAL 52 0.722 25.800 -14.275 423 HG21 VAL 52 HG21 VAL 52 0.168 23.340 -13.864 424 HG22 VAL 52 HG22 VAL 52 -0.171 23.304 -15.595 425 HG23 VAL 52 HG23 VAL 52 -1.373 22.712 -14.443 426 H HIS 53 H HIS 53 -4.043 25.914 -13.540 427 HA HIS 53 HA HIS 53 -3.501 28.721 -13.804 428 HB2 HIS 53 HB3 HIS 53 -5.300 27.295 -14.948 429 HB3 HIS 53 HB2 HIS 53 -6.184 27.422 -13.451 430 HD1 HIS 53 HD1 HIS 53 -6.296 28.897 -16.590 431 HD2 HIS 53 HD2 HIS 53 -6.267 30.498 -12.756 432 HE1 HIS 53 HE1 HIS 53 -7.303 31.168 -16.805 433 H VAL 54 H VAL 54 -4.665 26.615 -11.291 434 HA VAL 54 HA VAL 54 -5.775 28.821 -9.728 435 HB VAL 54 HB VAL 54 -5.691 25.835 -9.203 436 HG11 VAL 54 HG11 VAL 54 -7.082 27.996 -7.608 437 HG12 VAL 54 HG12 VAL 54 -5.710 26.988 -7.103 438 HG13 VAL 54 HG13 VAL 54 -7.280 26.250 -7.382 439 HG21 VAL 54 HG21 VAL 54 -8.105 25.916 -9.643 440 HG22 VAL 54 HG22 VAL 54 -7.159 26.441 -11.040 441 HG23 VAL 54 HG23 VAL 54 -7.959 27.633 -10.016 442 H LEU 55 H LEU 55 -3.411 26.192 -9.352 443 HA LEU 55 HA LEU 55 -2.373 27.061 -6.980 444 HB2 LEU 55 HB3 LEU 55 -1.794 25.158 -9.162 445 HB3 LEU 55 HB2 LEU 55 -0.710 25.334 -7.835 446 HG LEU 55 HG LEU 55 -2.205 23.446 -7.737 447 HD11 LEU 55 HD11 LEU 55 -2.632 25.445 -5.507 448 HD12 LEU 55 HD12 LEU 55 -1.329 24.255 -5.624 449 HD13 LEU 55 HD13 LEU 55 -2.987 23.726 -5.358 450 HD21 LEU 55 HD21 LEU 55 -4.447 25.402 -7.415 451 HD22 LEU 55 HD22 LEU 55 -4.595 23.692 -7.025 452 HD23 LEU 55 HD23 LEU 55 -4.244 24.192 -8.681 453 H GLU 56 H GLU 56 -1.937 28.044 -10.226 454 HA GLU 56 HA GLU 56 -0.521 29.284 -11.397 455 HB2 GLU 56 HB3 GLU 56 0.454 30.281 -8.712 456 HB3 GLU 56 HB2 GLU 56 0.838 31.017 -10.258 457 HG2 GLU 56 HG3 GLU 56 -1.511 31.561 -10.587 458 HG3 GLU 56 HG2 GLU 56 -1.911 30.781 -9.058 459 H LEU 57 H LEU 57 0.419 27.431 -12.097 460 HA LEU 57 HA LEU 57 3.074 26.908 -10.969 461 HB2 LEU 57 HB3 LEU 57 1.301 25.117 -12.428 462 HB3 LEU 57 HB2 LEU 57 2.857 24.628 -11.843 463 HG LEU 57 HG LEU 57 0.452 25.329 -10.130 464 HD11 LEU 57 HD11 LEU 57 1.887 22.721 -10.563 465 HD12 LEU 57 HD12 LEU 57 0.284 23.151 -11.165 466 HD13 LEU 57 HD13 LEU 57 0.562 22.994 -9.429 467 HD21 LEU 57 HD21 LEU 57 2.509 26.084 -9.043 468 HD22 LEU 57 HD22 LEU 57 3.235 24.499 -9.284 469 HD23 LEU 57 HD23 LEU 57 1.847 24.676 -8.212 470 H ASN 58 H ASN 58 4.495 25.901 -12.612 471 HA ASN 58 HA ASN 58 4.238 27.412 -15.129 472 HB2 ASN 58 HB3 ASN 58 6.181 28.004 -13.614 473 HB3 ASN 58 HB2 ASN 58 6.770 26.364 -13.808 474 HD21 ASN 58 HD21 ASN 58 7.451 29.142 -16.627 475 HD22 ASN 58 HD22 ASN 58 6.497 29.474 -15.228 476 HA PRO 59 HA PRO 59 3.836 23.444 -17.210 477 HB2 PRO 59 HB3 PRO 59 5.663 24.613 -19.230 478 HB3 PRO 59 HB2 PRO 59 4.068 23.879 -19.446 479 HG2 PRO 59 HG3 PRO 59 4.390 26.510 -19.583 480 HG3 PRO 59 HG2 PRO 59 2.955 25.789 -18.823 481 HD2 PRO 59 HD3 PRO 59 5.317 27.086 -17.566 482 HD3 PRO 59 HD2 PRO 59 3.615 27.086 -17.072 483 H GLN 60 H GLN 60 6.937 24.929 -16.790 484 HA GLN 60 HA GLN 60 8.451 22.519 -17.354 485 HB2 GLN 60 HB3 GLN 60 9.308 25.159 -16.192 486 HB3 GLN 60 HB2 GLN 60 10.396 23.869 -16.701 487 HG2 GLN 60 HG3 GLN 60 9.673 24.078 -18.955 488 HG3 GLN 60 HG2 GLN 60 8.443 25.247 -18.505 489 HE21 GLN 60 HE21 GLN 60 11.594 26.879 -19.785 490 HE22 GLN 60 HE22 GLN 60 10.687 25.530 -20.359 491 H ASP 61 H ASP 61 6.875 23.834 -14.707 492 HA ASP 61 HA ASP 61 8.585 22.618 -12.645 493 HB2 ASP 61 HB3 ASP 61 6.922 24.865 -12.620 494 HB3 ASP 61 HB2 ASP 61 5.971 23.601 -11.837 495 H ILE 62 H ILE 62 5.923 21.924 -14.564 496 HA ILE 62 HA ILE 62 4.159 20.473 -13.084 497 HB ILE 62 HB ILE 62 4.877 20.062 -15.969 498 HG12 ILE 62 HG13 ILE 62 4.087 22.266 -15.509 499 HG13 ILE 62 HG12 ILE 62 2.807 21.362 -16.316 500 HG21 ILE 62 HG21 ILE 62 2.715 18.946 -16.254 501 HG22 ILE 62 HG22 ILE 62 2.424 19.050 -14.521 502 HG23 ILE 62 HG23 ILE 62 3.736 18.044 -15.129 503 HD11 ILE 62 HD11 ILE 62 1.913 22.733 -14.578 504 HD12 ILE 62 HD12 ILE 62 2.967 22.007 -13.381 505 HD13 ILE 62 HD13 ILE 62 1.699 21.038 -14.152 506 HA PRO 63 HA PRO 63 6.416 16.227 -13.906 507 HB2 PRO 63 HB3 PRO 63 9.190 16.651 -13.359 508 HB3 PRO 63 HB2 PRO 63 8.451 15.956 -14.796 509 HG2 PRO 63 HG3 PRO 63 9.698 18.473 -14.550 510 HG3 PRO 63 HG2 PRO 63 8.823 17.847 -15.942 511 HD2 PRO 63 HD3 PRO 63 8.059 19.846 -14.013 512 HD3 PRO 63 HD2 PRO 63 7.248 19.437 -15.548 513 H LYS 64 H LYS 64 7.532 18.695 -11.839 514 HA LYS 64 HA LYS 64 8.423 17.038 -9.655 515 HB2 LYS 64 HB3 LYS 64 7.579 19.895 -9.413 516 HB3 LYS 64 HB2 LYS 64 8.820 19.039 -8.523 517 HG2 LYS 64 HG3 LYS 64 10.196 19.022 -10.692 518 HG3 LYS 64 HG2 LYS 64 8.911 19.966 -11.367 519 HD2 LYS 64 HD3 LYS 64 9.117 21.721 -9.782 520 HD3 LYS 64 HD2 LYS 64 10.345 20.832 -8.892 521 HE2 LYS 64 HE3 LYS 64 11.892 21.053 -10.713 522 HE3 LYS 64 HE2 LYS 64 10.639 21.752 -11.743 523 HZ1 LYS 64 HZ1 LYS 64 12.099 23.444 -10.793 524 HZ2 LYS 64 HZ2 LYS 64 11.609 22.998 -9.221 525 HZ3 LYS 64 HZ3 LYS 64 10.485 23.612 -10.324 526 H TYR 65 H TYR 65 5.396 17.919 -10.856 527 HA TYR 65 HA TYR 65 4.141 17.771 -8.239 528 HB2 TYR 65 HB3 TYR 65 3.302 19.253 -10.733 529 HB3 TYR 65 HB2 TYR 65 2.298 19.026 -9.306 530 HD1 TYR 65 HD1 TYR 65 2.375 20.595 -7.622 531 HD2 TYR 65 HD2 TYR 65 5.592 20.443 -10.370 532 HE1 TYR 65 HE1 TYR 65 3.388 22.595 -6.583 533 HE2 TYR 65 HE2 TYR 65 6.583 22.376 -9.365 534 HH TYR 65 HH TYR 65 6.099 24.155 -8.111 535 H PHE 66 H PHE 66 3.263 17.352 -11.661 536 HA PHE 66 HA PHE 66 1.253 15.451 -10.756 537 HB2 PHE 66 HB3 PHE 66 1.505 16.928 -13.373 538 HB3 PHE 66 HB2 PHE 66 0.210 15.804 -12.984 539 HD1 PHE 66 HD1 PHE 66 -1.424 16.363 -11.230 540 HD2 PHE 66 HD2 PHE 66 1.535 19.137 -12.497 541 HE1 PHE 66 HE1 PHE 66 -2.685 18.182 -10.171 542 HE2 PHE 66 HE2 PHE 66 0.279 20.962 -11.442 543 HZ PHE 66 HZ PHE 66 -1.829 20.484 -10.274 544 H PHE 67 H PHE 67 4.211 14.869 -11.419 545 HA PHE 67 HA PHE 67 3.592 12.714 -13.212 546 HB2 PHE 67 HB3 PHE 67 6.254 14.117 -12.782 547 HB3 PHE 67 HB2 PHE 67 6.165 12.469 -13.350 548 HD1 PHE 67 HD1 PHE 67 4.392 15.674 -14.170 549 HD2 PHE 67 HD2 PHE 67 6.396 12.194 -15.578 550 HE1 PHE 67 HE1 PHE 67 4.071 16.428 -16.492 551 HE2 PHE 67 HE2 PHE 67 6.077 12.943 -17.895 552 HZ PHE 67 HZ PHE 67 4.914 15.063 -18.355 553 H ASN 68 H ASN 68 2.987 11.241 -12.224 554 HA ASN 68 HA ASN 68 3.165 10.505 -9.654 555 HB2 ASN 68 HB3 ASN 68 2.531 8.235 -10.425 556 HB3 ASN 68 HB2 ASN 68 1.535 9.527 -11.073 557 HD21 ASN 68 HD21 ASN 68 3.703 7.185 -13.491 558 HD22 ASN 68 HD22 ASN 68 3.758 7.023 -11.779 559 H ALA 69 H ALA 69 4.796 10.269 -8.484 560 HA ALA 69 HA ALA 69 7.312 9.193 -9.478 561 HB1 ALA 69 HB1 ALA 69 7.297 11.216 -8.114 562 HB2 ALA 69 HB2 ALA 69 8.248 9.930 -7.377 563 HB3 ALA 69 HB3 ALA 69 6.634 10.304 -6.757 564 H LYS 70 H LYS 70 5.082 7.510 -9.218 565 HA LYS 70 HA LYS 70 6.234 5.448 -7.546 566 HB2 LYS 70 HB3 LYS 70 4.448 6.528 -6.159 567 HB3 LYS 70 HB2 LYS 70 3.311 6.243 -7.462 568 HG2 LYS 70 HG3 LYS 70 3.094 4.611 -5.646 569 HG3 LYS 70 HG2 LYS 70 3.512 3.863 -7.184 570 HD2 LYS 70 HD3 LYS 70 4.781 2.855 -5.394 571 HD3 LYS 70 HD2 LYS 70 5.862 3.719 -6.468 572 HE2 LYS 70 HE3 LYS 70 5.940 5.597 -4.886 573 HE3 LYS 70 HE2 LYS 70 4.834 4.741 -3.809 574 HZ1 LYS 70 HZ1 LYS 70 7.131 4.488 -3.107 575 HZ2 LYS 70 HZ2 LYS 70 7.553 3.821 -4.589 576 HZ3 LYS 70 HZ3 LYS 70 6.495 3.005 -3.567 577 H VAL 71 H VAL 71 6.759 4.009 -8.688 578 HA VAL 71 HA VAL 71 4.996 3.106 -10.760 579 HB VAL 71 HB VAL 71 8.017 3.371 -10.965 580 HG11 VAL 71 HG11 VAL 71 5.954 2.450 -12.896 581 HG12 VAL 71 HG12 VAL 71 7.118 1.450 -12.007 582 HG13 VAL 71 HG13 VAL 71 7.691 2.604 -13.245 583 HG21 VAL 71 HG21 VAL 71 6.963 5.573 -11.236 584 HG22 VAL 71 HG22 VAL 71 5.890 4.912 -12.468 585 HG23 VAL 71 HG23 VAL 71 7.627 4.998 -12.765 586 H HIS 72 H HIS 72 4.373 1.527 -9.444 587 HA HIS 72 HA HIS 72 4.308 -0.509 -8.549 588 HB2 HIS 72 HB3 HIS 72 5.794 -1.303 -10.348 589 HB3 HIS 72 HB2 HIS 72 7.202 -0.795 -9.429 590 HD1 HIS 72 HD1 HIS 72 4.570 -3.451 -9.564 591 HD2 HIS 72 HD2 HIS 72 8.020 -2.573 -7.435 592 HE1 HIS 72 HE1 HIS 72 5.135 -5.530 -8.324 Start of MODEL 5 1 H GLY -1 H GLY -1 8.546 1.471 1.288 2 HA2 GLY -1 HA2 GLY -1 6.707 -0.057 1.571 3 HA3 GLY -1 HA3 GLY -1 6.379 1.499 2.338 4 H SER 0 H SER 0 4.324 1.522 1.288 5 HA SER 0 HA SER 0 4.071 1.424 -1.513 6 HB2 SER 0 HB3 SER 0 2.273 2.587 0.609 7 HB3 SER 0 HB2 SER 0 1.807 2.271 -1.062 8 HG SER 0 HG SER 0 1.330 0.399 -0.401 9 H MET 1 H MET 1 4.517 2.951 -2.974 10 HA MET 1 HA MET 1 4.252 5.741 -2.293 11 HB2 MET 1 HB3 MET 1 6.477 6.365 -3.076 12 HB3 MET 1 HB2 MET 1 6.596 5.285 -1.697 13 HG2 MET 1 HG3 MET 1 7.191 3.440 -3.113 14 HG3 MET 1 HG2 MET 1 6.887 4.394 -4.561 15 HE1 MET 1 HE1 MET 1 10.396 5.145 -1.640 16 HE2 MET 1 HE2 MET 1 9.150 3.911 -1.410 17 HE3 MET 1 HE3 MET 1 8.743 5.617 -1.266 18 H SER 2 H SER 2 4.034 7.040 -4.097 19 HA SER 2 HA SER 2 4.342 5.924 -6.718 20 HB2 SER 2 HB3 SER 2 1.907 5.513 -6.055 21 HB3 SER 2 HB2 SER 2 1.742 7.253 -5.830 22 HG SER 2 HG SER 2 1.219 7.214 -7.870 23 H TYR 3 H TYR 3 6.086 7.324 -6.788 24 HA TYR 3 HA TYR 3 7.165 9.245 -7.238 25 HB2 TYR 3 HB3 TYR 3 4.354 10.360 -7.540 26 HB3 TYR 3 HB2 TYR 3 5.809 11.261 -7.926 27 HD1 TYR 3 HD1 TYR 3 3.674 8.410 -8.965 28 HD2 TYR 3 HD2 TYR 3 6.961 10.893 -9.954 29 HE1 TYR 3 HE1 TYR 3 3.594 7.585 -11.290 30 HE2 TYR 3 HE2 TYR 3 6.886 10.118 -12.267 31 HH TYR 3 HH TYR 3 4.278 8.244 -13.471 32 H ASP 4 H ASP 4 6.724 11.868 -6.423 33 HA ASP 4 HA ASP 4 6.237 11.680 -3.531 34 HB2 ASP 4 HB3 ASP 4 8.632 11.961 -3.800 35 HB3 ASP 4 HB2 ASP 4 8.387 13.298 -4.924 36 H TYR 5 H TYR 5 4.767 13.054 -2.820 37 HA TYR 5 HA TYR 5 3.860 15.069 -4.740 38 HB2 TYR 5 HB3 TYR 5 2.371 13.854 -2.424 39 HB3 TYR 5 HB2 TYR 5 1.756 15.083 -3.518 40 HD1 TYR 5 HD1 TYR 5 1.517 14.490 -5.958 41 HD2 TYR 5 HD2 TYR 5 2.182 11.601 -2.918 42 HE1 TYR 5 HE1 TYR 5 0.635 12.738 -7.445 43 HE2 TYR 5 HE2 TYR 5 1.303 9.843 -4.369 44 HH TYR 5 HH TYR 5 -0.180 9.672 -6.176 45 H SER 6 H SER 6 5.988 15.267 -2.327 46 HA SER 6 HA SER 6 4.646 16.882 -0.419 47 HB2 SER 6 HB3 SER 6 6.929 17.509 0.412 48 HB3 SER 6 HB2 SER 6 6.696 15.773 0.271 49 HG SER 6 HG SER 6 7.844 15.863 -1.728 50 H SER 7 H SER 7 6.541 17.789 -3.238 51 HA SER 7 HA SER 7 6.443 20.576 -2.870 52 HB2 SER 7 HB3 SER 7 6.531 19.095 -5.497 53 HB3 SER 7 HB2 SER 7 7.251 20.659 -5.106 54 HG SER 7 HG SER 7 8.557 18.541 -5.092 55 H LEU 8 H LEU 8 4.299 18.241 -4.321 56 HA LEU 8 HA LEU 8 2.589 20.134 -5.669 57 HB2 LEU 8 HB3 LEU 8 3.170 17.616 -6.226 58 HB3 LEU 8 HB2 LEU 8 1.950 17.228 -5.064 59 HG LEU 8 HG LEU 8 1.497 18.742 -7.641 60 HD11 LEU 8 HD11 LEU 8 0.404 16.742 -8.399 61 HD12 LEU 8 HD12 LEU 8 0.625 15.978 -6.844 62 HD13 LEU 8 HD13 LEU 8 2.033 16.312 -7.865 63 HD21 LEU 8 HD21 LEU 8 -0.008 19.386 -5.877 64 HD22 LEU 8 HD22 LEU 8 -0.427 17.664 -5.645 65 HD23 LEU 8 HD23 LEU 8 -0.847 18.491 -7.160 66 H LEU 9 H LEU 9 2.391 18.151 -2.699 67 HA LEU 9 HA LEU 9 -0.055 19.023 -1.800 68 HB2 LEU 9 HB3 LEU 9 2.440 17.974 -0.572 69 HB3 LEU 9 HB2 LEU 9 1.074 18.330 0.427 70 HG LEU 9 HG LEU 9 1.205 16.283 -1.804 71 HD11 LEU 9 HD11 LEU 9 1.052 15.941 1.187 72 HD12 LEU 9 HD12 LEU 9 2.457 15.619 0.168 73 HD13 LEU 9 HD13 LEU 9 1.000 14.641 -0.002 74 HD21 LEU 9 HD21 LEU 9 -1.017 15.551 -1.020 75 HD22 LEU 9 HD22 LEU 9 -1.057 17.183 -1.651 76 HD23 LEU 9 HD23 LEU 9 -1.067 16.917 0.091 77 H GLY 10 H GLY 10 3.139 20.429 -1.700 78 HA2 GLY 10 HA3 GLY 10 2.776 22.352 0.300 79 HA3 GLY 10 HA2 GLY 10 3.901 22.482 -1.053 80 H LYS 11 H LYS 11 2.319 22.641 -3.243 81 HA LYS 11 HA LYS 11 1.398 25.263 -3.161 82 HB2 LYS 11 HB3 LYS 11 1.363 23.031 -5.121 83 HB3 LYS 11 HB2 LYS 11 0.517 24.533 -5.455 84 HG2 LYS 11 HG3 LYS 11 3.368 24.395 -4.638 85 HG3 LYS 11 HG2 LYS 11 2.866 24.352 -6.337 86 HD2 LYS 11 HD3 LYS 11 1.836 26.528 -6.146 87 HD3 LYS 11 HD2 LYS 11 2.106 26.574 -4.411 88 HE2 LYS 11 HE3 LYS 11 4.276 26.511 -6.491 89 HE3 LYS 11 HE2 LYS 11 3.685 27.973 -5.707 90 HZ1 LYS 11 HZ1 LYS 11 4.345 26.912 -3.545 91 HZ2 LYS 11 HZ2 LYS 11 5.612 27.293 -4.571 92 HZ3 LYS 11 HZ3 LYS 11 5.101 25.694 -4.438 93 H ILE 12 H ILE 12 -0.153 22.187 -3.166 94 HA ILE 12 HA ILE 12 -2.827 22.967 -3.271 95 HB ILE 12 HB ILE 12 -1.587 20.679 -1.716 96 HG12 ILE 12 HG13 ILE 12 -3.011 20.763 -4.381 97 HG13 ILE 12 HG12 ILE 12 -1.281 20.574 -4.135 98 HG21 ILE 12 HG21 ILE 12 -3.840 19.685 -1.632 99 HG22 ILE 12 HG22 ILE 12 -4.491 21.188 -2.297 100 HG23 ILE 12 HG23 ILE 12 -3.725 21.187 -0.711 101 HD11 ILE 12 HD11 ILE 12 -3.390 18.624 -3.227 102 HD12 ILE 12 HD12 ILE 12 -1.635 18.434 -3.088 103 HD13 ILE 12 HD13 ILE 12 -2.394 18.472 -4.674 104 H THR 13 H THR 13 -0.692 22.746 -0.499 105 HA THR 13 HA THR 13 -2.616 23.566 1.424 106 HB THR 13 HB THR 13 0.358 23.908 1.565 107 HG1 THR 13 HG1 THR 13 -0.205 21.700 1.074 108 HG21 THR 13 HG21 THR 13 -1.806 23.592 3.641 109 HG22 THR 13 HG22 THR 13 -0.855 25.033 3.336 110 HG23 THR 13 HG23 THR 13 -0.083 23.595 4.034 111 H GLU 14 H GLU 14 -0.154 25.259 -0.464 112 HA GLU 14 HA GLU 14 -0.305 27.691 0.793 113 HB2 GLU 14 HB3 GLU 14 0.556 26.653 -1.716 114 HB3 GLU 14 HB2 GLU 14 0.553 28.430 -1.626 115 HG2 GLU 14 HG3 GLU 14 2.130 28.081 0.347 116 HG3 GLU 14 HG2 GLU 14 2.158 26.368 -0.093 117 H LYS 15 H LYS 15 -2.186 26.420 -1.941 118 HA LYS 15 HA LYS 15 -3.271 29.052 -2.356 119 HB2 LYS 15 HB3 LYS 15 -2.502 26.823 -3.884 120 HB3 LYS 15 HB2 LYS 15 -4.185 27.241 -4.176 121 HG2 LYS 15 HG3 LYS 15 -2.634 28.440 -5.735 122 HG3 LYS 15 HG2 LYS 15 -3.432 29.586 -4.650 123 HD2 LYS 15 HD3 LYS 15 -1.375 29.329 -3.126 124 HD3 LYS 15 HD2 LYS 15 -0.647 28.491 -4.475 125 HE2 LYS 15 HE3 LYS 15 -1.751 31.277 -4.705 126 HE3 LYS 15 HE2 LYS 15 -0.069 30.909 -4.352 127 HZ1 LYS 15 HZ1 LYS 15 0.187 29.873 -6.430 128 HZ2 LYS 15 HZ2 LYS 15 -0.625 31.333 -6.750 129 HZ3 LYS 15 HZ3 LYS 15 -1.461 29.880 -6.750 130 H CYS 16 H CYS 16 -4.232 25.720 -1.643 131 HA CYS 16 HA CYS 16 -6.958 26.578 -1.765 132 HB2 CYS 16 HB3 CYS 16 -5.613 23.898 -1.735 133 HB3 CYS 16 HB2 CYS 16 -7.338 24.194 -1.877 134 HG CYS 16 HG CYS 16 -7.246 25.343 -4.339 135 H GLY 17 H GLY 17 -4.444 25.032 0.146 136 HA2 GLY 17 HA3 GLY 17 -4.686 25.587 2.631 137 HA3 GLY 17 HA2 GLY 17 -6.312 25.132 2.300 138 H THR 18 H THR 18 -6.654 23.076 1.290 139 HA THR 18 HA THR 18 -4.878 20.957 2.246 140 HB THR 18 HB THR 18 -6.782 19.764 3.270 141 HG1 THR 18 HG1 THR 18 -8.568 21.645 3.596 142 HG21 THR 18 HG21 THR 18 -7.140 21.308 5.229 143 HG22 THR 18 HG22 THR 18 -6.353 22.569 4.235 144 HG23 THR 18 HG23 THR 18 -5.445 21.156 4.728 145 H GLN 19 H GLN 19 -5.926 18.739 1.480 146 HA GLN 19 HA GLN 19 -6.102 18.660 -1.268 147 HB2 GLN 19 HB3 GLN 19 -5.468 16.946 0.521 148 HB3 GLN 19 HB2 GLN 19 -7.192 16.672 0.684 149 HG2 GLN 19 HG3 GLN 19 -6.263 15.075 -0.618 150 HG3 GLN 19 HG2 GLN 19 -7.272 16.059 -1.705 151 HE21 GLN 19 HE21 GLN 19 -4.500 16.110 -3.839 152 HE22 GLN 19 HE22 GLN 19 -6.145 15.629 -3.583 153 H TYR 20 H TYR 20 -8.431 18.876 1.292 154 HA TYR 20 HA TYR 20 -10.832 18.212 -0.016 155 HB2 TYR 20 HB3 TYR 20 -10.435 18.452 2.449 156 HB3 TYR 20 HB2 TYR 20 -10.362 20.168 2.207 157 HD1 TYR 20 HD1 TYR 20 -12.710 17.494 1.116 158 HD2 TYR 20 HD2 TYR 20 -12.200 21.297 2.924 159 HE1 TYR 20 HE1 TYR 20 -15.140 17.664 1.427 160 HE2 TYR 20 HE2 TYR 20 -14.623 21.489 3.235 161 HH TYR 20 HH TYR 20 -16.675 18.784 2.773 162 H ASN 21 H ASN 21 -9.530 21.270 0.913 163 HA ASN 21 HA ASN 21 -11.212 23.069 -0.391 164 HB2 ASN 21 HB3 ASN 21 -8.267 23.275 0.222 165 HB3 ASN 21 HB2 ASN 21 -9.269 24.628 -0.249 166 HD21 ASN 21 HD21 ASN 21 -9.176 25.133 3.259 167 HD22 ASN 21 HD22 ASN 21 -8.507 25.533 1.729 168 H PHE 22 H PHE 22 -8.233 21.577 -1.467 169 HA PHE 22 HA PHE 22 -7.713 22.642 -3.963 170 HB2 PHE 22 HB3 PHE 22 -6.406 20.958 -2.651 171 HB3 PHE 22 HB2 PHE 22 -7.567 19.772 -3.113 172 HD1 PHE 22 HD1 PHE 22 -5.289 22.200 -4.786 173 HD2 PHE 22 HD2 PHE 22 -7.150 18.397 -4.856 174 HE1 PHE 22 HE1 PHE 22 -3.991 21.604 -6.795 175 HE2 PHE 22 HE2 PHE 22 -5.868 17.794 -6.870 176 HZ PHE 22 HZ PHE 22 -4.283 19.404 -7.839 177 H ALA 23 H ALA 23 -9.523 19.776 -3.207 178 HA ALA 23 HA ALA 23 -10.570 19.107 -5.722 179 HB1 ALA 23 HB1 ALA 23 -10.672 17.670 -3.694 180 HB2 ALA 23 HB2 ALA 23 -12.215 17.794 -4.537 181 HB3 ALA 23 HB3 ALA 23 -11.941 18.717 -3.062 182 H ILE 24 H ILE 24 -11.972 21.091 -3.168 183 HA ILE 24 HA ILE 24 -14.438 21.676 -4.288 184 HB ILE 24 HB ILE 24 -12.776 23.409 -2.478 185 HG12 ILE 24 HG13 ILE 24 -14.750 21.205 -2.131 186 HG13 ILE 24 HG12 ILE 24 -13.101 21.267 -1.559 187 HG21 ILE 24 HG21 ILE 24 -15.756 23.453 -3.075 188 HG22 ILE 24 HG22 ILE 24 -14.599 24.691 -3.575 189 HG23 ILE 24 HG23 ILE 24 -14.936 24.438 -1.862 190 HD11 ILE 24 HD11 ILE 24 -15.354 22.920 -0.639 191 HD12 ILE 24 HD12 ILE 24 -13.692 23.030 -0.017 192 HD13 ILE 24 HD13 ILE 24 -14.665 21.556 0.253 193 H ALA 25 H ALA 25 -11.462 23.476 -4.418 194 HA ALA 25 HA ALA 25 -12.340 25.618 -6.039 195 HB1 ALA 25 HB1 ALA 25 -9.983 26.149 -6.370 196 HB2 ALA 25 HB2 ALA 25 -9.527 24.556 -5.775 197 HB3 ALA 25 HB3 ALA 25 -10.285 25.718 -4.687 198 H MET 26 H MET 26 -11.034 22.487 -6.866 199 HA MET 26 HA MET 26 -10.899 23.116 -9.687 200 HB2 MET 26 HB3 MET 26 -10.387 20.616 -8.128 201 HB3 MET 26 HB2 MET 26 -10.323 20.615 -9.872 202 HG2 MET 26 HG3 MET 26 -8.568 22.437 -9.658 203 HG3 MET 26 HG2 MET 26 -8.573 22.110 -7.930 204 HE1 MET 26 HE1 MET 26 -7.788 20.737 -11.505 205 HE2 MET 26 HE2 MET 26 -8.945 19.519 -10.959 206 HE3 MET 26 HE3 MET 26 -7.251 19.096 -11.175 207 H GLY 27 H GLY 27 -13.384 22.286 -7.663 208 HA2 GLY 27 HA3 GLY 27 -15.588 21.784 -8.155 209 HA3 GLY 27 HA2 GLY 27 -15.150 21.707 -9.858 210 H LEU 28 H LEU 28 -13.533 19.908 -7.406 211 HA LEU 28 HA LEU 28 -14.489 17.370 -8.579 212 HB2 LEU 28 HB3 LEU 28 -11.952 18.061 -7.125 213 HB3 LEU 28 HB2 LEU 28 -12.428 16.450 -7.608 214 HG LEU 28 HG LEU 28 -11.818 18.721 -9.504 215 HD11 LEU 28 HD11 LEU 28 -9.811 17.401 -9.995 216 HD12 LEU 28 HD12 LEU 28 -10.296 16.250 -8.743 217 HD13 LEU 28 HD13 LEU 28 -9.854 17.901 -8.298 218 HD21 LEU 28 HD21 LEU 28 -12.372 15.808 -9.951 219 HD22 LEU 28 HD22 LEU 28 -11.864 16.964 -11.191 220 HD23 LEU 28 HD23 LEU 28 -13.441 17.143 -10.405 221 H SER 29 H SER 29 -14.496 15.657 -7.100 222 HA SER 29 HA SER 29 -15.452 16.425 -4.457 223 HB2 SER 29 HB3 SER 29 -15.528 13.789 -5.875 224 HB3 SER 29 HB2 SER 29 -16.421 14.203 -4.409 225 HG SER 29 HG SER 29 -16.763 15.236 -7.025 226 H GLU 30 H GLU 30 -14.189 15.889 -2.745 227 HA GLU 30 HA GLU 30 -11.490 15.619 -2.957 228 HB2 GLU 30 HB3 GLU 30 -11.669 14.609 -0.566 229 HB3 GLU 30 HB2 GLU 30 -12.013 16.293 -0.902 230 HG2 GLU 30 HG3 GLU 30 -13.443 15.191 0.627 231 HG3 GLU 30 HG2 GLU 30 -14.381 15.929 -0.688 232 H ARG 31 H ARG 31 -13.653 12.878 -2.580 233 HA ARG 31 HA ARG 31 -11.655 11.072 -2.261 234 HB2 ARG 31 HB3 ARG 31 -14.444 10.943 -2.605 235 HB3 ARG 31 HB2 ARG 31 -13.726 9.736 -3.663 236 HG2 ARG 31 HG3 ARG 31 -12.484 8.812 -1.787 237 HG3 ARG 31 HG2 ARG 31 -13.183 10.017 -0.710 238 HD2 ARG 31 HD3 ARG 31 -15.402 9.160 -1.283 239 HD3 ARG 31 HD2 ARG 31 -14.640 7.883 -2.245 240 HE ARG 31 HE ARG 31 -13.551 7.825 0.332 241 HH11 ARG 31 HH11 ARG 31 -16.617 7.054 -1.243 242 HH12 ARG 31 HH12 ARG 31 -17.151 6.021 -0.010 243 HH21 ARG 31 HH21 ARG 31 -14.256 6.419 1.987 244 HH22 ARG 31 HH22 ARG 31 -15.783 5.644 1.902 245 H THR 32 H THR 32 -12.957 12.459 -5.218 246 HA THR 32 HA THR 32 -12.003 10.489 -7.033 247 HB THR 32 HB THR 32 -12.695 13.420 -7.587 248 HG1 THR 32 HG1 THR 32 -14.189 11.250 -6.893 249 HG21 THR 32 HG21 THR 32 -13.239 12.595 -9.836 250 HG22 THR 32 HG22 THR 32 -12.766 10.963 -9.359 251 HG23 THR 32 HG23 THR 32 -11.555 12.243 -9.440 252 H VAL 33 H VAL 33 -10.833 13.585 -5.890 253 HA VAL 33 HA VAL 33 -8.496 13.756 -7.448 254 HB VAL 33 HB VAL 33 -8.421 14.848 -4.722 255 HG11 VAL 33 HG11 VAL 33 -8.147 15.948 -7.447 256 HG12 VAL 33 HG12 VAL 33 -6.817 15.534 -6.332 257 HG13 VAL 33 HG13 VAL 33 -7.932 16.893 -5.983 258 HG21 VAL 33 HG21 VAL 33 -10.000 16.629 -5.272 259 HG22 VAL 33 HG22 VAL 33 -10.618 15.012 -4.919 260 HG23 VAL 33 HG23 VAL 33 -10.596 15.592 -6.607 261 H SER 34 H SER 34 -9.306 12.543 -4.261 262 HA SER 34 HA SER 34 -6.762 12.104 -3.507 263 HB2 SER 34 HB3 SER 34 -9.283 10.825 -2.446 264 HB3 SER 34 HB2 SER 34 -7.716 10.718 -1.645 265 HG SER 34 HG SER 34 -9.300 13.003 -2.149 266 H LEU 35 H LEU 35 -9.126 10.005 -5.149 267 HA LEU 35 HA LEU 35 -7.732 7.569 -4.924 268 HB2 LEU 35 HB3 LEU 35 -9.632 8.431 -7.098 269 HB3 LEU 35 HB2 LEU 35 -9.130 6.785 -6.778 270 HG LEU 35 HG LEU 35 -10.789 8.534 -4.987 271 HD11 LEU 35 HD11 LEU 35 -12.571 6.941 -5.461 272 HD12 LEU 35 HD12 LEU 35 -11.508 6.106 -6.596 273 HD13 LEU 35 HD13 LEU 35 -12.004 7.769 -6.910 274 HD21 LEU 35 HD21 LEU 35 -9.381 7.073 -3.650 275 HD22 LEU 35 HD22 LEU 35 -9.922 5.670 -4.575 276 HD23 LEU 35 HD23 LEU 35 -11.065 6.567 -3.571 277 H LYS 36 H LYS 36 -7.527 10.188 -7.265 278 HA LYS 36 HA LYS 36 -5.973 8.950 -9.171 279 HB2 LYS 36 HB3 LYS 36 -6.404 11.755 -8.361 280 HB3 LYS 36 HB2 LYS 36 -5.338 11.323 -9.686 281 HG2 LYS 36 HG3 LYS 36 -7.058 10.491 -10.980 282 HG3 LYS 36 HG2 LYS 36 -8.139 10.296 -9.589 283 HD2 LYS 36 HD3 LYS 36 -8.101 12.516 -9.237 284 HD3 LYS 36 HD2 LYS 36 -7.138 12.901 -10.679 285 HE2 LYS 36 HE3 LYS 36 -9.862 11.553 -10.665 286 HE3 LYS 36 HE2 LYS 36 -9.600 13.248 -11.065 287 HZ1 LYS 36 HZ1 LYS 36 -9.850 11.629 -12.921 288 HZ2 LYS 36 HZ2 LYS 36 -8.255 11.099 -12.635 289 HZ3 LYS 36 HZ3 LYS 36 -8.580 12.698 -13.061 290 H LEU 37 H LEU 37 -5.268 10.987 -6.406 291 HA LEU 37 HA LEU 37 -2.449 11.085 -6.708 292 HB2 LEU 37 HB3 LEU 37 -4.001 12.751 -5.482 293 HB3 LEU 37 HB2 LEU 37 -4.062 11.576 -4.233 294 HG LEU 37 HG LEU 37 -1.452 12.335 -4.986 295 HD11 LEU 37 HD11 LEU 37 -2.582 14.512 -4.978 296 HD12 LEU 37 HD12 LEU 37 -1.589 14.394 -3.522 297 HD13 LEU 37 HD13 LEU 37 -3.335 14.142 -3.425 298 HD21 LEU 37 HD21 LEU 37 -1.787 10.753 -3.200 299 HD22 LEU 37 HD22 LEU 37 -2.822 11.893 -2.336 300 HD23 LEU 37 HD23 LEU 37 -1.102 12.229 -2.521 301 H ASN 38 H ASN 38 -4.703 8.987 -5.171 302 HA ASN 38 HA ASN 38 -2.995 7.893 -3.307 303 HB2 ASN 38 HB3 ASN 38 -5.451 7.770 -3.111 304 HB3 ASN 38 HB2 ASN 38 -5.491 6.612 -4.432 305 HD21 ASN 38 HD21 ASN 38 -4.671 3.883 -2.384 306 HD22 ASN 38 HD22 ASN 38 -4.906 4.407 -3.996 307 H ASP 39 H ASP 39 -4.342 6.336 -6.268 308 HA ASP 39 HA ASP 39 -1.994 5.117 -7.146 309 HB2 ASP 39 HB3 ASP 39 -1.888 3.922 -5.034 310 HB3 ASP 39 HB2 ASP 39 -3.525 3.334 -5.233 311 H LYS 40 H LYS 40 -5.585 5.183 -7.188 312 HA LYS 40 HA LYS 40 -5.784 2.876 -8.844 313 HB2 LYS 40 HB3 LYS 40 -7.871 4.930 -8.240 314 HB3 LYS 40 HB2 LYS 40 -8.030 3.301 -8.787 315 HG2 LYS 40 HG3 LYS 40 -7.266 2.386 -6.677 316 HG3 LYS 40 HG2 LYS 40 -7.056 4.019 -6.038 317 HD2 LYS 40 HD3 LYS 40 -9.443 4.446 -6.302 318 HD3 LYS 40 HD2 LYS 40 -9.661 2.845 -7.004 319 HE2 LYS 40 HE3 LYS 40 -8.902 1.832 -4.903 320 HE3 LYS 40 HE2 LYS 40 -8.707 3.440 -4.208 321 HZ1 LYS 40 HZ1 LYS 40 -11.266 2.238 -5.129 322 HZ2 LYS 40 HZ2 LYS 40 -11.113 3.780 -4.459 323 HZ3 LYS 40 HZ3 LYS 40 -10.778 2.422 -3.532 324 H VAL 41 H VAL 41 -5.995 6.398 -9.077 325 HA VAL 41 HA VAL 41 -6.602 5.879 -11.874 326 HB VAL 41 HB VAL 41 -7.665 8.397 -10.965 327 HG11 VAL 41 HG11 VAL 41 -8.749 5.923 -11.955 328 HG12 VAL 41 HG12 VAL 41 -8.143 7.230 -13.021 329 HG13 VAL 41 HG13 VAL 41 -9.648 7.437 -12.037 330 HG21 VAL 41 HG21 VAL 41 -9.517 7.587 -9.632 331 HG22 VAL 41 HG22 VAL 41 -7.993 7.210 -8.818 332 HG23 VAL 41 HG23 VAL 41 -8.873 5.949 -9.700 333 H THR 42 H THR 42 -6.423 8.149 -13.014 334 HA THR 42 HA THR 42 -3.849 9.281 -12.261 335 HB THR 42 HB THR 42 -3.490 9.456 -14.752 336 HG1 THR 42 HG1 THR 42 -4.794 8.287 -16.076 337 HG21 THR 42 HG21 THR 42 -2.381 7.692 -13.445 338 HG22 THR 42 HG22 THR 42 -2.833 7.099 -15.043 339 HG23 THR 42 HG23 THR 42 -3.797 6.658 -13.633 340 H TRP 43 H TRP 43 -3.576 11.474 -13.049 341 HA TRP 43 HA TRP 43 -6.063 12.952 -13.404 342 HB2 TRP 43 HB3 TRP 43 -3.183 13.892 -13.183 343 HB3 TRP 43 HB2 TRP 43 -4.553 14.960 -13.417 344 HD1 TRP 43 HD1 TRP 43 -6.364 14.977 -11.283 345 HE1 TRP 43 HE1 TRP 43 -5.838 14.878 -8.768 346 HE3 TRP 43 HE3 TRP 43 -1.645 13.048 -11.515 347 HZ2 TRP 43 HZ2 TRP 43 -3.700 14.093 -7.098 348 HZ3 TRP 43 HZ3 TRP 43 -0.424 12.664 -9.420 349 HH2 TRP 43 HH2 TRP 43 -1.436 13.181 -7.258 350 H LYS 44 H LYS 44 -6.720 13.461 -15.398 351 HA LYS 44 HA LYS 44 -5.013 12.805 -17.604 352 HB2 LYS 44 HB3 LYS 44 -7.838 13.796 -17.384 353 HB3 LYS 44 HB2 LYS 44 -6.999 13.921 -18.916 354 HG2 LYS 44 HG3 LYS 44 -8.284 11.907 -18.967 355 HG3 LYS 44 HG2 LYS 44 -6.593 11.453 -18.827 356 HD2 LYS 44 HD3 LYS 44 -7.788 10.027 -17.352 357 HD3 LYS 44 HD2 LYS 44 -7.003 11.229 -16.330 358 HE2 LYS 44 HE3 LYS 44 -9.298 10.845 -15.607 359 HE3 LYS 44 HE2 LYS 44 -9.104 12.492 -16.207 360 HZ1 LYS 44 HZ1 LYS 44 -10.124 11.827 -18.282 361 HZ2 LYS 44 HZ2 LYS 44 -11.146 11.428 -17.014 362 HZ3 LYS 44 HZ3 LYS 44 -10.242 10.233 -17.768 363 H ASP 45 H ASP 45 -4.719 14.453 -19.388 364 HA ASP 45 HA ASP 45 -3.012 16.423 -18.354 365 HB2 ASP 45 HB3 ASP 45 -2.685 15.447 -20.584 366 HB3 ASP 45 HB2 ASP 45 -4.175 16.188 -21.136 367 H ASP 46 H ASP 46 -6.285 16.647 -19.480 368 HA ASP 46 HA ASP 46 -6.538 19.455 -19.393 369 HB2 ASP 46 HB3 ASP 46 -8.210 18.007 -20.490 370 HB3 ASP 46 HB2 ASP 46 -8.676 17.361 -18.918 371 H GLU 47 H GLU 47 -6.763 16.987 -16.953 372 HA GLU 47 HA GLU 47 -7.980 18.676 -14.979 373 HB2 GLU 47 HB3 GLU 47 -6.445 16.097 -14.561 374 HB3 GLU 47 HB2 GLU 47 -7.496 16.874 -13.385 375 HG2 GLU 47 HG3 GLU 47 -9.394 16.536 -14.934 376 HG3 GLU 47 HG2 GLU 47 -8.316 15.636 -15.999 377 H ILE 48 H ILE 48 -4.784 17.608 -15.803 378 HA ILE 48 HA ILE 48 -3.345 18.825 -13.739 379 HB ILE 48 HB ILE 48 -2.467 18.306 -16.605 380 HG12 ILE 48 HG13 ILE 48 -2.124 16.620 -14.105 381 HG13 ILE 48 HG12 ILE 48 -3.234 16.287 -15.422 382 HG21 ILE 48 HG21 ILE 48 -0.986 19.916 -15.513 383 HG22 ILE 48 HG22 ILE 48 -0.163 18.368 -15.716 384 HG23 ILE 48 HG23 ILE 48 -0.796 18.829 -14.138 385 HD11 ILE 48 HD11 ILE 48 -1.338 15.967 -16.932 386 HD12 ILE 48 HD12 ILE 48 -1.258 14.884 -15.545 387 HD13 ILE 48 HD13 ILE 48 -0.232 16.317 -15.605 388 H LEU 49 H LEU 49 -4.248 20.080 -17.028 389 HA LEU 49 HA LEU 49 -3.079 22.522 -16.923 390 HB2 LEU 49 HB3 LEU 49 -5.604 21.509 -18.120 391 HB3 LEU 49 HB2 LEU 49 -5.006 23.113 -18.386 392 HG LEU 49 HG LEU 49 -3.703 20.537 -19.223 393 HD11 LEU 49 HD11 LEU 49 -4.207 21.368 -21.480 394 HD12 LEU 49 HD12 LEU 49 -4.983 22.786 -20.753 395 HD13 LEU 49 HD13 LEU 49 -5.666 21.195 -20.495 396 HD21 LEU 49 HD21 LEU 49 -2.068 21.980 -20.391 397 HD22 LEU 49 HD22 LEU 49 -1.977 22.168 -18.645 398 HD23 LEU 49 HD23 LEU 49 -2.790 23.395 -19.623 399 H LYS 50 H LYS 50 -6.287 21.509 -15.780 400 HA LYS 50 HA LYS 50 -7.051 24.075 -15.102 401 HB2 LYS 50 HB3 LYS 50 -8.129 21.447 -14.683 402 HB3 LYS 50 HB2 LYS 50 -8.700 22.712 -13.582 403 HG2 LYS 50 HG3 LYS 50 -10.132 22.813 -15.387 404 HG3 LYS 50 HG2 LYS 50 -9.051 24.144 -15.616 405 HD2 LYS 50 HD3 LYS 50 -7.682 22.726 -17.180 406 HD3 LYS 50 HD2 LYS 50 -8.950 21.508 -17.094 407 HE2 LYS 50 HE3 LYS 50 -10.559 23.239 -17.959 408 HE3 LYS 50 HE2 LYS 50 -9.144 24.308 -18.093 409 HZ1 LYS 50 HZ1 LYS 50 -9.319 21.721 -19.529 410 HZ2 LYS 50 HZ2 LYS 50 -8.202 22.979 -19.750 411 HZ3 LYS 50 HZ3 LYS 50 -9.792 23.186 -20.189 412 H ALA 51 H ALA 51 -5.520 21.527 -13.217 413 HA ALA 51 HA ALA 51 -5.591 22.837 -10.724 414 HB1 ALA 51 HB1 ALA 51 -3.740 21.345 -10.090 415 HB2 ALA 51 HB2 ALA 51 -3.509 20.910 -11.785 416 HB3 ALA 51 HB3 ALA 51 -5.000 20.460 -10.951 417 H VAL 52 H VAL 52 -3.213 22.853 -13.333 418 HA VAL 52 HA VAL 52 -1.244 24.507 -12.269 419 HB VAL 52 HB VAL 52 -2.171 24.254 -15.156 420 HG11 VAL 52 HG11 VAL 52 0.424 25.415 -14.137 421 HG12 VAL 52 HG12 VAL 52 -0.895 26.324 -14.860 422 HG13 VAL 52 HG13 VAL 52 -0.006 25.145 -15.826 423 HG21 VAL 52 HG21 VAL 52 0.091 22.961 -13.663 424 HG22 VAL 52 HG22 VAL 52 -0.239 22.780 -15.385 425 HG23 VAL 52 HG23 VAL 52 -1.396 22.180 -14.196 426 H HIS 53 H HIS 53 -4.305 25.359 -13.673 427 HA HIS 53 HA HIS 53 -3.722 28.166 -13.951 428 HB2 HIS 53 HB3 HIS 53 -5.316 26.798 -15.330 429 HB3 HIS 53 HB2 HIS 53 -6.405 26.844 -13.969 430 HD1 HIS 53 HD1 HIS 53 -8.161 28.586 -14.219 431 HD2 HIS 53 HD2 HIS 53 -4.533 29.804 -15.829 432 HE1 HIS 53 HE1 HIS 53 -8.544 30.909 -15.085 433 H VAL 54 H VAL 54 -5.099 26.137 -11.567 434 HA VAL 54 HA VAL 54 -6.401 28.343 -10.158 435 HB VAL 54 HB VAL 54 -6.296 25.371 -9.524 436 HG11 VAL 54 HG11 VAL 54 -7.834 27.554 -8.098 437 HG12 VAL 54 HG12 VAL 54 -6.463 26.619 -7.467 438 HG13 VAL 54 HG13 VAL 54 -7.985 25.811 -7.811 439 HG21 VAL 54 HG21 VAL 54 -7.664 25.911 -11.462 440 HG22 VAL 54 HG22 VAL 54 -8.545 27.116 -10.522 441 HG23 VAL 54 HG23 VAL 54 -8.678 25.406 -10.111 442 H LEU 55 H LEU 55 -4.030 25.807 -9.435 443 HA LEU 55 HA LEU 55 -3.166 26.791 -7.028 444 HB2 LEU 55 HB3 LEU 55 -2.404 24.850 -9.107 445 HB3 LEU 55 HB2 LEU 55 -1.352 25.138 -7.784 446 HG LEU 55 HG LEU 55 -2.810 23.187 -7.679 447 HD11 LEU 55 HD11 LEU 55 -3.182 25.212 -5.445 448 HD12 LEU 55 HD12 LEU 55 -1.845 24.070 -5.606 449 HD13 LEU 55 HD13 LEU 55 -3.469 23.482 -5.264 450 HD21 LEU 55 HD21 LEU 55 -4.877 23.961 -8.553 451 HD22 LEU 55 HD22 LEU 55 -5.044 25.140 -7.254 452 HD23 LEU 55 HD23 LEU 55 -5.174 23.418 -6.898 453 H GLU 56 H GLU 56 -2.427 27.539 -10.285 454 HA GLU 56 HA GLU 56 -0.982 28.798 -11.373 455 HB2 GLU 56 HB3 GLU 56 -0.258 29.964 -8.683 456 HB3 GLU 56 HB2 GLU 56 0.240 30.624 -10.236 457 HG2 GLU 56 HG3 GLU 56 -2.091 31.032 -10.814 458 HG3 GLU 56 HG2 GLU 56 -2.593 30.349 -9.266 459 H LEU 57 H LEU 57 -0.069 26.846 -11.836 460 HA LEU 57 HA LEU 57 2.612 26.434 -10.712 461 HB2 LEU 57 HB3 LEU 57 0.947 24.618 -12.290 462 HB3 LEU 57 HB2 LEU 57 2.464 24.176 -11.557 463 HG LEU 57 HG LEU 57 -0.127 24.753 -10.091 464 HD11 LEU 57 HD11 LEU 57 0.003 22.406 -9.419 465 HD12 LEU 57 HD12 LEU 57 1.446 22.206 -10.415 466 HD13 LEU 57 HD13 LEU 57 -0.100 22.582 -11.170 467 HD21 LEU 57 HD21 LEU 57 2.586 24.013 -8.988 468 HD22 LEU 57 HD22 LEU 57 1.092 24.120 -8.058 469 HD23 LEU 57 HD23 LEU 57 1.773 25.568 -8.803 470 H ASN 58 H ASN 58 4.072 25.506 -12.446 471 HA ASN 58 HA ASN 58 3.606 27.055 -14.901 472 HB2 ASN 58 HB3 ASN 58 5.585 27.646 -13.467 473 HB3 ASN 58 HB2 ASN 58 6.215 26.030 -13.755 474 HD21 ASN 58 HD21 ASN 58 6.553 28.914 -16.547 475 HD22 ASN 58 HD22 ASN 58 5.621 29.148 -15.115 476 HA PRO 59 HA PRO 59 3.235 23.125 -16.972 477 HB2 PRO 59 HB3 PRO 59 4.026 23.855 -19.494 478 HB3 PRO 59 HB2 PRO 59 2.420 24.172 -18.827 479 HG2 PRO 59 HG3 PRO 59 4.794 25.969 -19.009 480 HG3 PRO 59 HG2 PRO 59 3.090 26.342 -19.330 481 HD2 PRO 59 HD3 PRO 59 4.296 27.053 -17.042 482 HD3 PRO 59 HD2 PRO 59 2.593 26.548 -17.072 483 H GLN 60 H GLN 60 6.265 24.797 -16.828 484 HA GLN 60 HA GLN 60 7.760 22.616 -18.032 485 HB2 GLN 60 HB3 GLN 60 8.722 25.122 -16.654 486 HB3 GLN 60 HB2 GLN 60 9.718 24.004 -17.573 487 HG2 GLN 60 HG3 GLN 60 8.538 24.540 -19.579 488 HG3 GLN 60 HG2 GLN 60 7.425 25.578 -18.695 489 HE21 GLN 60 HE21 GLN 60 9.548 28.323 -18.496 490 HE22 GLN 60 HE22 GLN 60 8.119 27.546 -17.957 491 H ASP 61 H ASP 61 6.682 23.595 -14.944 492 HA ASP 61 HA ASP 61 8.763 22.004 -13.598 493 HB2 ASP 61 HB3 ASP 61 8.119 24.423 -12.891 494 HB3 ASP 61 HB2 ASP 61 6.682 23.689 -12.199 495 H ILE 62 H ILE 62 6.050 21.393 -15.002 496 HA ILE 62 HA ILE 62 4.308 20.090 -13.286 497 HB ILE 62 HB ILE 62 4.851 19.556 -16.193 498 HG12 ILE 62 HG13 ILE 62 3.950 21.725 -15.690 499 HG13 ILE 62 HG12 ILE 62 2.725 20.731 -16.475 500 HG21 ILE 62 HG21 ILE 62 2.591 18.401 -14.547 501 HG22 ILE 62 HG22 ILE 62 3.920 17.491 -15.265 502 HG23 ILE 62 HG23 ILE 62 2.746 18.301 -16.301 503 HD11 ILE 62 HD11 ILE 62 1.703 20.316 -14.270 504 HD12 ILE 62 HD12 ILE 62 1.725 22.011 -14.731 505 HD13 ILE 62 HD13 ILE 62 2.875 21.421 -13.541 506 HA PRO 63 HA PRO 63 6.517 15.876 -13.769 507 HB2 PRO 63 HB3 PRO 63 9.100 15.709 -14.475 508 HB3 PRO 63 HB2 PRO 63 7.766 15.813 -15.637 509 HG2 PRO 63 HG3 PRO 63 9.648 17.945 -14.767 510 HG3 PRO 63 HG2 PRO 63 9.036 17.582 -16.389 511 HD2 PRO 63 HD3 PRO 63 8.079 19.496 -14.665 512 HD3 PRO 63 HD2 PRO 63 7.153 18.858 -16.057 513 H LYS 64 H LYS 64 7.628 18.597 -12.459 514 HA LYS 64 HA LYS 64 9.138 17.294 -10.326 515 HB2 LYS 64 HB3 LYS 64 8.655 20.247 -10.686 516 HB3 LYS 64 HB2 LYS 64 9.872 19.453 -9.694 517 HG2 LYS 64 HG3 LYS 64 10.874 18.554 -11.879 518 HG3 LYS 64 HG2 LYS 64 9.728 19.578 -12.683 519 HD2 LYS 64 HD3 LYS 64 11.863 20.719 -12.559 520 HD3 LYS 64 HD2 LYS 64 10.629 21.570 -11.633 521 HE2 LYS 64 HE3 LYS 64 11.537 20.489 -9.558 522 HE3 LYS 64 HE2 LYS 64 12.823 19.800 -10.543 523 HZ1 LYS 64 HZ1 LYS 64 13.487 22.062 -11.136 524 HZ2 LYS 64 HZ2 LYS 64 13.551 21.825 -9.469 525 HZ3 LYS 64 HZ3 LYS 64 12.274 22.684 -10.150 526 H TYR 65 H TYR 65 5.990 17.846 -11.021 527 HA TYR 65 HA TYR 65 5.270 18.047 -8.196 528 HB2 TYR 65 HB3 TYR 65 3.801 19.078 -10.612 529 HB3 TYR 65 HB2 TYR 65 3.017 18.685 -9.079 530 HD1 TYR 65 HD1 TYR 65 4.896 21.168 -10.895 531 HD2 TYR 65 HD2 TYR 65 3.696 19.862 -7.076 532 HE1 TYR 65 HE1 TYR 65 5.413 23.393 -9.995 533 HE2 TYR 65 HE2 TYR 65 4.218 22.084 -6.124 534 HH TYR 65 HH TYR 65 5.556 23.968 -6.607 535 H PHE 66 H PHE 66 3.619 17.059 -11.170 536 HA PHE 66 HA PHE 66 2.085 15.085 -9.739 537 HB2 PHE 66 HB3 PHE 66 2.205 15.709 -12.697 538 HB3 PHE 66 HB2 PHE 66 1.040 14.639 -11.932 539 HD1 PHE 66 HD1 PHE 66 2.082 18.132 -12.383 540 HD2 PHE 66 HD2 PHE 66 -0.812 15.524 -10.670 541 HE1 PHE 66 HE1 PHE 66 0.585 20.045 -12.003 542 HE2 PHE 66 HE2 PHE 66 -2.314 17.431 -10.287 543 HZ PHE 66 HZ PHE 66 -1.613 19.700 -10.951 544 H PHE 67 H PHE 67 4.905 15.012 -11.745 545 HA PHE 67 HA PHE 67 4.904 12.081 -11.441 546 HB2 PHE 67 HB3 PHE 67 6.297 13.399 -13.771 547 HB3 PHE 67 HB2 PHE 67 5.844 11.753 -13.536 548 HD1 PHE 67 HD1 PHE 67 3.684 10.892 -13.945 549 HD2 PHE 67 HD2 PHE 67 4.525 15.003 -14.426 550 HE1 PHE 67 HE1 PHE 67 1.553 11.160 -15.162 551 HE2 PHE 67 HE2 PHE 67 2.394 15.313 -15.664 552 HZ PHE 67 HZ PHE 67 0.908 13.378 -16.026 553 H ASN 68 H ASN 68 5.973 14.115 -9.660 554 HA ASN 68 HA ASN 68 8.635 14.546 -10.071 555 HB2 ASN 68 HB3 ASN 68 7.165 15.929 -8.874 556 HB3 ASN 68 HB2 ASN 68 6.653 14.592 -7.862 557 HD21 ASN 68 HD21 ASN 68 8.760 15.737 -5.608 558 HD22 ASN 68 HD22 ASN 68 7.150 15.360 -6.082 559 H ALA 69 H ALA 69 9.995 12.816 -10.087 560 HA ALA 69 HA ALA 69 9.572 10.467 -8.420 561 HB1 ALA 69 HB1 ALA 69 11.601 9.649 -9.537 562 HB2 ALA 69 HB2 ALA 69 11.821 11.231 -10.286 563 HB3 ALA 69 HB3 ALA 69 10.424 10.243 -10.710 564 H LYS 70 H LYS 70 9.814 12.811 -7.056 565 HA LYS 70 HA LYS 70 10.855 14.157 -5.688 566 HB2 LYS 70 HB3 LYS 70 10.657 11.923 -4.463 567 HB3 LYS 70 HB2 LYS 70 12.329 11.678 -4.892 568 HG2 LYS 70 HG3 LYS 70 11.377 14.038 -3.246 569 HG3 LYS 70 HG2 LYS 70 11.771 12.496 -2.503 570 HD2 LYS 70 HD3 LYS 70 14.061 12.690 -3.255 571 HD3 LYS 70 HD2 LYS 70 13.669 14.169 -4.135 572 HE2 LYS 70 HE3 LYS 70 14.767 14.614 -1.977 573 HE3 LYS 70 HE2 LYS 70 13.149 15.304 -2.073 574 HZ1 LYS 70 HZ1 LYS 70 13.852 12.763 -0.713 575 HZ2 LYS 70 HZ2 LYS 70 12.323 13.481 -0.697 576 HZ3 LYS 70 HZ3 LYS 70 13.627 14.224 0.065 577 H VAL 71 H VAL 71 11.381 15.147 -7.325 578 HA VAL 71 HA VAL 71 14.251 15.452 -7.626 579 HB VAL 71 HB VAL 71 12.049 16.189 -9.576 580 HG11 VAL 71 HG11 VAL 71 13.891 16.654 -11.091 581 HG12 VAL 71 HG12 VAL 71 15.008 16.223 -9.759 582 HG13 VAL 71 HG13 VAL 71 13.922 17.614 -9.590 583 HG21 VAL 71 HG21 VAL 71 14.045 13.930 -9.738 584 HG22 VAL 71 HG22 VAL 71 12.912 14.395 -11.007 585 HG23 VAL 71 HG23 VAL 71 12.310 13.755 -9.478 586 H HIS 72 H HIS 72 14.370 16.890 -5.897 587 HA HIS 72 HA HIS 72 13.032 19.432 -6.293 588 HB2 HIS 72 HB3 HIS 72 11.631 17.995 -4.770 589 HB3 HIS 72 HB2 HIS 72 12.987 17.966 -3.648 590 HD1 HIS 72 HD1 HIS 72 10.137 19.996 -4.759 591 HD2 HIS 72 HD2 HIS 72 13.509 20.508 -2.397 592 HE1 HIS 72 HE1 HIS 72 9.729 22.081 -3.464 Start of MODEL 6 1 H GLY -1 H GLY -1 -0.615 4.731 -2.532 2 HA2 GLY -1 HA2 GLY -1 0.330 5.987 -4.387 3 HA3 GLY -1 HA3 GLY -1 -0.728 6.980 -3.392 4 H SER 0 H SER 0 1.691 7.970 -4.169 5 HA SER 0 HA SER 0 3.587 8.939 -3.481 6 HB2 SER 0 HB3 SER 0 2.317 8.578 -0.760 7 HB3 SER 0 HB2 SER 0 3.688 9.639 -1.096 8 HG SER 0 HG SER 0 2.306 11.057 -1.651 9 H MET 1 H MET 1 3.421 5.902 -3.461 10 HA MET 1 HA MET 1 5.763 5.304 -1.782 11 HB2 MET 1 HB3 MET 1 5.284 2.920 -2.260 12 HB3 MET 1 HB2 MET 1 3.899 3.720 -1.541 13 HG2 MET 1 HG3 MET 1 2.874 3.908 -3.768 14 HG3 MET 1 HG2 MET 1 4.262 3.067 -4.459 15 HE1 MET 1 HE1 MET 1 1.159 2.177 -4.792 16 HE2 MET 1 HE2 MET 1 1.342 0.428 -4.651 17 HE3 MET 1 HE3 MET 1 2.517 1.364 -5.571 18 H SER 2 H SER 2 5.298 6.657 -4.455 19 HA SER 2 HA SER 2 7.779 6.136 -5.617 20 HB2 SER 2 HB3 SER 2 6.343 4.276 -6.657 21 HB3 SER 2 HB2 SER 2 5.256 5.528 -7.249 22 HG SER 2 HG SER 2 6.561 5.245 -8.916 23 H TYR 3 H TYR 3 8.234 8.091 -6.674 24 HA TYR 3 HA TYR 3 8.079 10.300 -7.136 25 HB2 TYR 3 HB3 TYR 3 5.108 9.725 -7.389 26 HB3 TYR 3 HB2 TYR 3 5.823 11.289 -7.738 27 HD1 TYR 3 HD1 TYR 3 5.684 7.750 -8.829 28 HD2 TYR 3 HD2 TYR 3 6.874 11.698 -9.789 29 HE1 TYR 3 HE1 TYR 3 6.063 7.062 -11.158 30 HE2 TYR 3 HE2 TYR 3 7.254 11.052 -12.104 31 HH TYR 3 HH TYR 3 6.144 8.089 -13.344 32 H ASP 4 H ASP 4 7.002 12.402 -6.314 33 HA ASP 4 HA ASP 4 6.241 12.126 -3.492 34 HB2 ASP 4 HB3 ASP 4 8.524 12.900 -3.447 35 HB3 ASP 4 HB2 ASP 4 8.193 14.110 -4.686 36 H TYR 5 H TYR 5 4.492 13.280 -2.925 37 HA TYR 5 HA TYR 5 3.583 15.191 -4.929 38 HB2 TYR 5 HB3 TYR 5 1.892 13.522 -3.063 39 HB3 TYR 5 HB2 TYR 5 1.288 14.792 -4.133 40 HD1 TYR 5 HD1 TYR 5 1.486 14.554 -6.567 41 HD2 TYR 5 HD2 TYR 5 2.422 11.365 -3.919 42 HE1 TYR 5 HE1 TYR 5 1.406 12.965 -8.447 43 HE2 TYR 5 HE2 TYR 5 2.326 9.776 -5.773 44 HH TYR 5 HH TYR 5 1.350 9.602 -7.966 45 H SER 6 H SER 6 5.177 15.255 -2.189 46 HA SER 6 HA SER 6 3.666 17.005 -0.549 47 HB2 SER 6 HB3 SER 6 6.682 16.817 -0.751 48 HB3 SER 6 HB2 SER 6 5.728 17.322 0.646 49 HG SER 6 HG SER 6 6.330 14.847 -0.333 50 H SER 7 H SER 7 5.922 17.338 -3.175 51 HA SER 7 HA SER 7 6.267 20.101 -3.260 52 HB2 SER 7 HB3 SER 7 6.111 18.145 -5.553 53 HB3 SER 7 HB2 SER 7 6.897 19.720 -5.601 54 HG SER 7 HG SER 7 7.671 17.359 -4.193 55 H LEU 8 H LEU 8 3.717 18.030 -4.499 56 HA LEU 8 HA LEU 8 2.460 20.138 -5.987 57 HB2 LEU 8 HB3 LEU 8 2.730 17.602 -6.561 58 HB3 LEU 8 HB2 LEU 8 1.426 17.375 -5.469 59 HG LEU 8 HG LEU 8 1.032 19.121 -7.900 60 HD11 LEU 8 HD11 LEU 8 1.862 16.919 -8.618 61 HD12 LEU 8 HD12 LEU 8 0.164 17.155 -9.026 62 HD13 LEU 8 HD13 LEU 8 0.604 16.147 -7.649 63 HD21 LEU 8 HD21 LEU 8 -0.813 17.422 -6.266 64 HD22 LEU 8 HD22 LEU 8 -1.271 18.512 -7.590 65 HD23 LEU 8 HD23 LEU 8 -0.647 19.173 -6.066 66 H LEU 9 H LEU 9 1.895 18.329 -2.998 67 HA LEU 9 HA LEU 9 -0.558 19.358 -2.305 68 HB2 LEU 9 HB3 LEU 9 1.763 18.215 -0.830 69 HB3 LEU 9 HB2 LEU 9 0.350 18.789 0.013 70 HG LEU 9 HG LEU 9 0.287 16.613 -2.097 71 HD11 LEU 9 HD11 LEU 9 0.074 15.034 -0.248 72 HD12 LEU 9 HD12 LEU 9 0.279 16.348 0.908 73 HD13 LEU 9 HD13 LEU 9 1.609 15.899 -0.163 74 HD21 LEU 9 HD21 LEU 9 -1.921 16.125 -1.164 75 HD22 LEU 9 HD22 LEU 9 -1.854 17.775 -1.771 76 HD23 LEU 9 HD23 LEU 9 -1.751 17.467 -0.038 77 H GLY 10 H GLY 10 2.612 20.760 -2.150 78 HA2 GLY 10 HA3 GLY 10 2.285 22.726 -0.206 79 HA3 GLY 10 HA2 GLY 10 3.302 22.897 -1.631 80 H LYS 11 H LYS 11 1.667 23.089 -3.756 81 HA LYS 11 HA LYS 11 0.595 25.639 -3.607 82 HB2 LYS 11 HB3 LYS 11 0.426 23.387 -5.560 83 HB3 LYS 11 HB2 LYS 11 -0.396 24.909 -5.816 84 HG2 LYS 11 HG3 LYS 11 2.538 24.572 -5.394 85 HG3 LYS 11 HG2 LYS 11 1.774 24.733 -6.982 86 HD2 LYS 11 HD3 LYS 11 0.874 26.952 -6.236 87 HD3 LYS 11 HD2 LYS 11 1.814 26.792 -4.755 88 HE2 LYS 11 HE3 LYS 11 2.939 26.884 -7.557 89 HE3 LYS 11 HE2 LYS 11 2.920 28.221 -6.416 90 HZ1 LYS 11 HZ1 LYS 11 4.434 25.667 -6.126 91 HZ2 LYS 11 HZ2 LYS 11 4.334 26.860 -4.935 92 HZ3 LYS 11 HZ3 LYS 11 5.051 27.208 -6.405 93 H ILE 12 H ILE 12 -0.777 22.471 -3.457 94 HA ILE 12 HA ILE 12 -3.496 23.127 -3.555 95 HB ILE 12 HB ILE 12 -2.147 20.853 -2.070 96 HG12 ILE 12 HG13 ILE 12 -3.557 20.955 -4.747 97 HG13 ILE 12 HG12 ILE 12 -1.820 20.856 -4.503 98 HG21 ILE 12 HG21 ILE 12 -4.357 19.754 -2.029 99 HG22 ILE 12 HG22 ILE 12 -5.081 21.226 -2.678 100 HG23 ILE 12 HG23 ILE 12 -4.339 21.245 -1.082 101 HD11 ILE 12 HD11 ILE 12 -2.038 18.657 -3.553 102 HD12 ILE 12 HD12 ILE 12 -2.843 18.707 -5.121 103 HD13 ILE 12 HD13 ILE 12 -3.796 18.761 -3.641 104 H THR 13 H THR 13 -1.362 22.829 -0.748 105 HA THR 13 HA THR 13 -3.277 23.468 1.206 106 HB THR 13 HB THR 13 -0.330 24.047 1.314 107 HG1 THR 13 HG1 THR 13 -0.496 21.868 0.785 108 HG21 THR 13 HG21 THR 13 -2.371 23.376 3.442 109 HG22 THR 13 HG22 THR 13 -1.633 24.948 3.175 110 HG23 THR 13 HG23 THR 13 -0.644 23.596 3.742 111 H GLU 14 H GLU 14 -1.069 25.445 -0.684 112 HA GLU 14 HA GLU 14 -1.585 27.775 0.783 113 HB2 GLU 14 HB3 GLU 14 -0.226 27.101 -1.658 114 HB3 GLU 14 HB2 GLU 14 -0.342 28.835 -1.255 115 HG2 GLU 14 HG3 GLU 14 0.834 28.231 0.882 116 HG3 GLU 14 HG2 GLU 14 0.987 26.582 0.279 117 H LYS 15 H LYS 15 -3.137 26.401 -2.091 118 HA LYS 15 HA LYS 15 -4.391 28.931 -2.599 119 HB2 LYS 15 HB3 LYS 15 -3.575 26.645 -4.055 120 HB3 LYS 15 HB2 LYS 15 -5.284 26.935 -4.297 121 HG2 LYS 15 HG3 LYS 15 -4.008 28.123 -6.015 122 HG3 LYS 15 HG2 LYS 15 -4.644 29.327 -4.888 123 HD2 LYS 15 HD3 LYS 15 -2.444 29.176 -3.662 124 HD3 LYS 15 HD2 LYS 15 -1.852 28.207 -5.005 125 HE2 LYS 15 HE3 LYS 15 -2.833 31.056 -5.129 126 HE3 LYS 15 HE2 LYS 15 -1.174 30.472 -5.293 127 HZ1 LYS 15 HZ1 LYS 15 -3.425 29.940 -7.128 128 HZ2 LYS 15 HZ2 LYS 15 -1.883 29.299 -7.334 129 HZ3 LYS 15 HZ3 LYS 15 -2.150 30.974 -7.445 130 H CYS 16 H CYS 16 -5.141 25.540 -1.855 131 HA CYS 16 HA CYS 16 -7.921 26.218 -1.791 132 HB2 CYS 16 HB3 CYS 16 -6.420 23.621 -1.895 133 HB3 CYS 16 HB2 CYS 16 -8.151 23.852 -2.056 134 HG CYS 16 HG CYS 16 -7.510 25.627 -4.385 135 H GLY 17 H GLY 17 -5.256 24.590 -0.101 136 HA2 GLY 17 HA3 GLY 17 -5.237 25.057 2.355 137 HA3 GLY 17 HA2 GLY 17 -6.938 24.736 2.198 138 H THR 18 H THR 18 -7.358 22.648 1.021 139 HA THR 18 HA THR 18 -5.692 20.489 2.098 140 HB THR 18 HB THR 18 -7.651 19.372 3.081 141 HG1 THR 18 HG1 THR 18 -9.496 21.160 3.215 142 HG21 THR 18 HG21 THR 18 -8.177 21.005 4.919 143 HG22 THR 18 HG22 THR 18 -7.355 22.240 3.927 144 HG23 THR 18 HG23 THR 18 -6.444 20.885 4.560 145 H GLN 19 H GLN 19 -6.662 18.316 1.241 146 HA GLN 19 HA GLN 19 -6.977 18.457 -1.554 147 HB2 GLN 19 HB3 GLN 19 -7.516 16.173 0.352 148 HB3 GLN 19 HB2 GLN 19 -7.550 16.022 -1.396 149 HG2 GLN 19 HG3 GLN 19 -5.197 16.605 -1.522 150 HG3 GLN 19 HG2 GLN 19 -5.141 16.849 0.219 151 HE21 GLN 19 HE21 GLN 19 -5.920 12.968 -0.708 152 HE22 GLN 19 HE22 GLN 19 -6.955 14.231 -1.242 153 H TYR 20 H TYR 20 -9.222 18.533 1.061 154 HA TYR 20 HA TYR 20 -11.607 17.854 -0.331 155 HB2 TYR 20 HB3 TYR 20 -11.333 18.059 2.193 156 HB3 TYR 20 HB2 TYR 20 -11.317 19.771 1.959 157 HD1 TYR 20 HD1 TYR 20 -13.282 20.912 2.401 158 HD2 TYR 20 HD2 TYR 20 -13.509 17.001 0.746 159 HE1 TYR 20 HE1 TYR 20 -15.740 21.080 2.353 160 HE2 TYR 20 HE2 TYR 20 -15.957 17.154 0.697 161 HH TYR 20 HH TYR 20 -17.709 18.311 1.672 162 H ASN 21 H ASN 21 -10.232 20.859 0.682 163 HA ASN 21 HA ASN 21 -11.960 22.609 -0.661 164 HB2 ASN 21 HB3 ASN 21 -9.059 22.983 0.003 165 HB3 ASN 21 HB2 ASN 21 -10.138 24.257 -0.502 166 HD21 ASN 21 HD21 ASN 21 -9.602 24.169 3.209 167 HD22 ASN 21 HD22 ASN 21 -8.632 24.182 1.827 168 H PHE 22 H PHE 22 -8.939 21.180 -1.626 169 HA PHE 22 HA PHE 22 -8.425 22.256 -4.127 170 HB2 PHE 22 HB3 PHE 22 -7.105 20.553 -2.777 171 HB3 PHE 22 HB2 PHE 22 -8.216 19.369 -3.357 172 HD1 PHE 22 HD1 PHE 22 -6.612 22.096 -5.341 173 HD2 PHE 22 HD2 PHE 22 -6.982 17.932 -4.618 174 HE1 PHE 22 HE1 PHE 22 -5.220 21.617 -7.323 175 HE2 PHE 22 HE2 PHE 22 -5.610 17.457 -6.603 176 HZ PHE 22 HZ PHE 22 -4.728 19.306 -7.954 177 H ALA 23 H ALA 23 -10.263 19.422 -3.306 178 HA ALA 23 HA ALA 23 -11.397 18.721 -5.766 179 HB1 ALA 23 HB1 ALA 23 -11.603 17.374 -3.694 180 HB2 ALA 23 HB2 ALA 23 -13.137 17.589 -4.535 181 HB3 ALA 23 HB3 ALA 23 -12.782 18.538 -3.091 182 H ILE 24 H ILE 24 -12.717 20.938 -3.301 183 HA ILE 24 HA ILE 24 -15.080 21.646 -4.529 184 HB ILE 24 HB ILE 24 -13.287 23.399 -2.862 185 HG12 ILE 24 HG13 ILE 24 -13.714 21.251 -1.727 186 HG13 ILE 24 HG12 ILE 24 -14.501 22.586 -0.955 187 HG21 ILE 24 HG21 ILE 24 -15.072 24.655 -3.932 188 HG22 ILE 24 HG22 ILE 24 -15.382 24.513 -2.200 189 HG23 ILE 24 HG23 ILE 24 -16.265 23.502 -3.339 190 HD11 ILE 24 HD11 ILE 24 -16.629 21.918 -1.920 191 HD12 ILE 24 HD12 ILE 24 -15.877 20.619 -0.982 192 HD13 ILE 24 HD13 ILE 24 -15.823 20.576 -2.749 193 H ALA 25 H ALA 25 -11.910 23.235 -4.649 194 HA ALA 25 HA ALA 25 -12.601 25.354 -6.360 195 HB1 ALA 25 HB1 ALA 25 -9.885 24.119 -5.912 196 HB2 ALA 25 HB2 ALA 25 -10.622 25.368 -4.912 197 HB3 ALA 25 HB3 ALA 25 -10.205 25.715 -6.591 198 H MET 26 H MET 26 -11.161 22.215 -7.012 199 HA MET 26 HA MET 26 -10.792 22.630 -9.808 200 HB2 MET 26 HB3 MET 26 -10.761 20.179 -8.082 201 HB3 MET 26 HB2 MET 26 -10.539 20.087 -9.817 202 HG2 MET 26 HG3 MET 26 -8.812 21.707 -7.962 203 HG3 MET 26 HG2 MET 26 -8.431 20.076 -8.509 204 HE1 MET 26 HE1 MET 26 -7.981 20.583 -12.370 205 HE2 MET 26 HE2 MET 26 -9.493 20.170 -11.566 206 HE3 MET 26 HE3 MET 26 -7.989 19.425 -11.043 207 H GLY 27 H GLY 27 -13.458 21.517 -7.902 208 HA2 GLY 27 HA3 GLY 27 -15.666 21.354 -8.652 209 HA3 GLY 27 HA2 GLY 27 -15.092 21.303 -10.318 210 H LEU 28 H LEU 28 -13.841 19.400 -7.720 211 HA LEU 28 HA LEU 28 -14.639 16.898 -9.107 212 HB2 LEU 28 HB3 LEU 28 -12.245 17.509 -7.401 213 HB3 LEU 28 HB2 LEU 28 -12.655 15.952 -8.076 214 HG LEU 28 HG LEU 28 -11.909 18.390 -9.696 215 HD11 LEU 28 HD11 LEU 28 -10.419 15.880 -9.005 216 HD12 LEU 28 HD12 LEU 28 -10.050 17.491 -8.385 217 HD13 LEU 28 HD13 LEU 28 -9.837 17.132 -10.108 218 HD21 LEU 28 HD21 LEU 28 -13.407 16.876 -10.851 219 HD22 LEU 28 HD22 LEU 28 -12.340 15.530 -10.404 220 HD23 LEU 28 HD23 LEU 28 -11.760 16.792 -11.509 221 H SER 29 H SER 29 -14.697 15.094 -7.646 222 HA SER 29 HA SER 29 -16.013 15.776 -5.135 223 HB2 SER 29 HB3 SER 29 -16.942 14.016 -6.815 224 HB3 SER 29 HB2 SER 29 -15.538 13.063 -6.312 225 HG SER 29 HG SER 29 -17.819 13.090 -5.197 226 H GLU 30 H GLU 30 -15.084 15.106 -3.227 227 HA GLU 30 HA GLU 30 -12.328 15.424 -3.136 228 HB2 GLU 30 HB3 GLU 30 -12.493 14.668 -0.723 229 HB3 GLU 30 HB2 GLU 30 -13.298 16.136 -1.232 230 HG2 GLU 30 HG3 GLU 30 -14.456 14.824 0.328 231 HG3 GLU 30 HG2 GLU 30 -15.464 15.043 -1.121 232 H ARG 31 H ARG 31 -14.063 12.421 -2.863 233 HA ARG 31 HA ARG 31 -11.863 10.940 -2.298 234 HB2 ARG 31 HB3 ARG 31 -13.107 9.100 -3.252 235 HB3 ARG 31 HB2 ARG 31 -13.858 9.925 -1.870 236 HG2 ARG 31 HG3 ARG 31 -15.275 11.078 -3.574 237 HG3 ARG 31 HG2 ARG 31 -14.545 10.011 -4.795 238 HD2 ARG 31 HD3 ARG 31 -15.092 8.154 -3.422 239 HD3 ARG 31 HD2 ARG 31 -15.947 9.221 -2.322 240 HE ARG 31 HE ARG 31 -16.863 9.487 -5.022 241 HH11 ARG 31 HH11 ARG 31 -17.287 7.543 -2.099 242 HH12 ARG 31 HH12 ARG 31 -18.876 7.064 -2.486 243 HH21 ARG 31 HH21 ARG 31 -19.032 8.826 -5.550 244 HH22 ARG 31 HH22 ARG 31 -19.876 7.793 -4.501 245 H THR 32 H THR 32 -13.174 12.049 -5.286 246 HA THR 32 HA THR 32 -11.929 10.237 -7.051 247 HB THR 32 HB THR 32 -12.933 13.020 -7.745 248 HG1 THR 32 HG1 THR 32 -14.915 11.518 -8.037 249 HG21 THR 32 HG21 THR 32 -13.552 11.900 -9.829 250 HG22 THR 32 HG22 THR 32 -13.019 10.352 -9.180 251 HG23 THR 32 HG23 THR 32 -11.841 11.621 -9.498 252 H VAL 33 H VAL 33 -11.232 13.511 -5.870 253 HA VAL 33 HA VAL 33 -8.919 13.970 -7.394 254 HB VAL 33 HB VAL 33 -9.100 14.946 -4.617 255 HG11 VAL 33 HG11 VAL 33 -7.328 15.596 -6.026 256 HG12 VAL 33 HG12 VAL 33 -8.432 16.984 -5.719 257 HG13 VAL 33 HG13 VAL 33 -8.515 16.081 -7.247 258 HG21 VAL 33 HG21 VAL 33 -10.570 16.710 -5.329 259 HG22 VAL 33 HG22 VAL 33 -11.243 15.081 -5.145 260 HG23 VAL 33 HG23 VAL 33 -10.947 15.736 -6.786 261 H SER 34 H SER 34 -9.644 12.649 -4.246 262 HA SER 34 HA SER 34 -7.141 12.504 -3.409 263 HB2 SER 34 HB3 SER 34 -9.452 10.718 -2.625 264 HB3 SER 34 HB2 SER 34 -7.922 10.744 -1.749 265 HG SER 34 HG SER 34 -9.773 12.870 -2.107 266 H LEU 35 H LEU 35 -9.107 10.130 -5.161 267 HA LEU 35 HA LEU 35 -7.255 8.014 -5.366 268 HB2 LEU 35 HB3 LEU 35 -9.440 8.802 -7.307 269 HB3 LEU 35 HB2 LEU 35 -8.619 7.265 -7.285 270 HG LEU 35 HG LEU 35 -10.429 8.291 -5.099 271 HD11 LEU 35 HD11 LEU 35 -11.655 7.838 -7.155 272 HD12 LEU 35 HD12 LEU 35 -12.012 6.625 -5.925 273 HD13 LEU 35 HD13 LEU 35 -10.915 6.239 -7.251 274 HD21 LEU 35 HD21 LEU 35 -9.166 5.590 -5.537 275 HD22 LEU 35 HD22 LEU 35 -10.331 5.996 -4.271 276 HD23 LEU 35 HD23 LEU 35 -8.738 6.759 -4.286 277 H LYS 36 H LYS 36 -7.859 10.827 -7.527 278 HA LYS 36 HA LYS 36 -6.246 10.132 -9.601 279 HB2 LYS 36 HB3 LYS 36 -7.171 12.697 -8.480 280 HB3 LYS 36 HB2 LYS 36 -6.021 12.693 -9.805 281 HG2 LYS 36 HG3 LYS 36 -7.530 11.762 -11.293 282 HG3 LYS 36 HG2 LYS 36 -8.503 11.043 -10.003 283 HD2 LYS 36 HD3 LYS 36 -9.084 13.106 -9.259 284 HD3 LYS 36 HD2 LYS 36 -8.254 13.993 -10.554 285 HE2 LYS 36 HE3 LYS 36 -10.500 11.975 -10.956 286 HE3 LYS 36 HE2 LYS 36 -10.760 13.720 -10.946 287 HZ1 LYS 36 HZ1 LYS 36 -9.500 13.925 -12.933 288 HZ2 LYS 36 HZ2 LYS 36 -10.608 12.682 -13.159 289 HZ3 LYS 36 HZ3 LYS 36 -8.996 12.306 -12.876 290 H LEU 37 H LEU 37 -5.577 11.954 -6.679 291 HA LEU 37 HA LEU 37 -2.772 12.357 -7.230 292 HB2 LEU 37 HB3 LEU 37 -4.227 13.992 -6.129 293 HB3 LEU 37 HB2 LEU 37 -4.451 12.982 -4.766 294 HG LEU 37 HG LEU 37 -1.865 13.059 -4.748 295 HD11 LEU 37 HD11 LEU 37 -1.547 14.382 -6.632 296 HD12 LEU 37 HD12 LEU 37 -1.189 15.428 -5.229 297 HD13 LEU 37 HD13 LEU 37 -2.766 15.516 -6.059 298 HD21 LEU 37 HD21 LEU 37 -2.032 14.878 -3.072 299 HD22 LEU 37 HD22 LEU 37 -3.266 13.637 -2.867 300 HD23 LEU 37 HD23 LEU 37 -3.683 15.175 -3.616 301 H ASN 38 H ASN 38 -4.638 9.898 -6.022 302 HA ASN 38 HA ASN 38 -2.608 8.926 -4.273 303 HB2 ASN 38 HB3 ASN 38 -5.136 8.649 -3.853 304 HB3 ASN 38 HB2 ASN 38 -5.081 7.352 -5.034 305 HD21 ASN 38 HD21 ASN 38 -2.718 6.793 -1.766 306 HD22 ASN 38 HD22 ASN 38 -2.664 8.189 -2.799 307 H ASP 39 H ASP 39 -3.255 8.966 -7.333 308 HA ASP 39 HA ASP 39 -2.208 8.231 -9.245 309 HB2 ASP 39 HB3 ASP 39 -0.139 7.994 -7.883 310 HB3 ASP 39 HB2 ASP 39 -0.629 6.375 -7.418 311 H LYS 40 H LYS 40 -4.659 6.999 -7.977 312 HA LYS 40 HA LYS 40 -4.725 4.269 -8.928 313 HB2 LYS 40 HB3 LYS 40 -6.986 6.070 -8.230 314 HB3 LYS 40 HB2 LYS 40 -6.910 4.352 -8.292 315 HG2 LYS 40 HG3 LYS 40 -5.295 5.859 -6.295 316 HG3 LYS 40 HG2 LYS 40 -6.859 5.172 -5.885 317 HD2 LYS 40 HD3 LYS 40 -5.824 2.952 -6.773 318 HD3 LYS 40 HD2 LYS 40 -4.287 3.801 -6.686 319 HE2 LYS 40 HE3 LYS 40 -4.511 2.540 -4.685 320 HE3 LYS 40 HE2 LYS 40 -4.794 4.226 -4.257 321 HZ1 LYS 40 HZ1 LYS 40 -6.351 2.688 -3.236 322 HZ2 LYS 40 HZ2 LYS 40 -6.915 2.213 -4.753 323 HZ3 LYS 40 HZ3 LYS 40 -7.146 3.805 -4.211 324 H VAL 41 H VAL 41 -5.265 7.447 -10.009 325 HA VAL 41 HA VAL 41 -6.554 6.293 -12.329 326 HB VAL 41 HB VAL 41 -7.452 8.991 -11.801 327 HG11 VAL 41 HG11 VAL 41 -8.388 7.360 -13.350 328 HG12 VAL 41 HG12 VAL 41 -9.597 7.897 -12.117 329 HG13 VAL 41 HG13 VAL 41 -8.668 6.390 -11.884 330 HG21 VAL 41 HG21 VAL 41 -8.925 8.575 -9.953 331 HG22 VAL 41 HG22 VAL 41 -7.243 8.328 -9.442 332 HG23 VAL 41 HG23 VAL 41 -8.285 6.939 -9.778 333 H THR 42 H THR 42 -6.557 8.183 -13.999 334 HA THR 42 HA THR 42 -3.761 8.979 -14.142 335 HB THR 42 HB THR 42 -4.368 9.197 -16.613 336 HG1 THR 42 HG1 THR 42 -6.243 8.261 -17.246 337 HG21 THR 42 HG21 THR 42 -4.148 6.765 -16.969 338 HG22 THR 42 HG22 THR 42 -4.531 6.489 -15.270 339 HG23 THR 42 HG23 THR 42 -3.046 7.323 -15.713 340 H TRP 43 H TRP 43 -3.192 11.087 -14.184 341 HA TRP 43 HA TRP 43 -5.222 13.107 -14.346 342 HB2 TRP 43 HB3 TRP 43 -2.225 13.268 -14.122 343 HB3 TRP 43 HB2 TRP 43 -3.187 14.692 -14.476 344 HD1 TRP 43 HD1 TRP 43 -5.346 14.889 -12.460 345 HE1 TRP 43 HE1 TRP 43 -4.924 14.927 -9.918 346 HE3 TRP 43 HE3 TRP 43 -0.756 12.663 -12.363 347 HZ2 TRP 43 HZ2 TRP 43 -2.891 14.116 -8.100 348 HZ3 TRP 43 HZ3 TRP 43 0.348 12.337 -10.207 349 HH2 TRP 43 HH2 TRP 43 -0.706 13.054 -8.127 350 H LYS 44 H LYS 44 -6.172 13.036 -16.241 351 HA LYS 44 HA LYS 44 -4.881 12.826 -18.695 352 HB2 LYS 44 HB3 LYS 44 -7.538 14.025 -18.018 353 HB3 LYS 44 HB2 LYS 44 -6.968 13.663 -19.639 354 HG2 LYS 44 HG3 LYS 44 -6.783 11.291 -19.026 355 HG3 LYS 44 HG2 LYS 44 -7.441 11.680 -17.431 356 HD2 LYS 44 HD3 LYS 44 -9.285 12.721 -18.539 357 HD3 LYS 44 HD2 LYS 44 -8.766 12.073 -20.088 358 HE2 LYS 44 HE3 LYS 44 -8.857 9.759 -19.110 359 HE3 LYS 44 HE2 LYS 44 -9.556 10.455 -17.649 360 HZ1 LYS 44 HZ1 LYS 44 -11.256 9.543 -19.111 361 HZ2 LYS 44 HZ2 LYS 44 -10.767 10.545 -20.359 362 HZ3 LYS 44 HZ3 LYS 44 -11.451 11.212 -18.987 363 H ASP 45 H ASP 45 -4.615 14.573 -20.255 364 HA ASP 45 HA ASP 45 -3.218 16.773 -19.298 365 HB2 ASP 45 HB3 ASP 45 -2.878 16.016 -21.562 366 HB3 ASP 45 HB2 ASP 45 -4.559 16.312 -21.969 367 H ASP 46 H ASP 46 -6.563 16.561 -20.203 368 HA ASP 46 HA ASP 46 -7.281 19.270 -20.006 369 HB2 ASP 46 HB3 ASP 46 -8.714 17.552 -21.006 370 HB3 ASP 46 HB2 ASP 46 -8.938 16.820 -19.421 371 H GLU 47 H GLU 47 -6.870 16.815 -17.574 372 HA GLU 47 HA GLU 47 -8.218 18.144 -15.408 373 HB2 GLU 47 HB3 GLU 47 -6.033 16.044 -15.357 374 HB3 GLU 47 HB2 GLU 47 -7.002 16.530 -13.978 375 HG2 GLU 47 HG3 GLU 47 -8.117 15.275 -16.463 376 HG3 GLU 47 HG2 GLU 47 -7.661 14.366 -15.020 377 H ILE 48 H ILE 48 -4.968 17.792 -16.580 378 HA ILE 48 HA ILE 48 -3.613 19.201 -14.569 379 HB ILE 48 HB ILE 48 -2.793 18.786 -17.462 380 HG12 ILE 48 HG13 ILE 48 -2.300 17.073 -15.013 381 HG13 ILE 48 HG12 ILE 48 -3.350 16.678 -16.355 382 HG21 ILE 48 HG21 ILE 48 -1.446 20.492 -16.336 383 HG22 ILE 48 HG22 ILE 48 -0.491 19.033 -16.608 384 HG23 ILE 48 HG23 ILE 48 -1.134 19.380 -15.002 385 HD11 ILE 48 HD11 ILE 48 -0.369 16.992 -16.487 386 HD12 ILE 48 HD12 ILE 48 -1.441 16.602 -17.836 387 HD13 ILE 48 HD13 ILE 48 -1.276 15.475 -16.491 388 H LEU 49 H LEU 49 -4.888 20.211 -17.802 389 HA LEU 49 HA LEU 49 -3.988 22.752 -17.884 390 HB2 LEU 49 HB3 LEU 49 -6.504 21.468 -18.833 391 HB3 LEU 49 HB2 LEU 49 -5.998 23.080 -19.254 392 HG LEU 49 HG LEU 49 -4.533 20.546 -19.925 393 HD11 LEU 49 HD11 LEU 49 -5.236 21.007 -22.203 394 HD12 LEU 49 HD12 LEU 49 -6.089 22.448 -21.662 395 HD13 LEU 49 HD13 LEU 49 -6.645 20.855 -21.152 396 HD21 LEU 49 HD21 LEU 49 -2.974 22.396 -19.651 397 HD22 LEU 49 HD22 LEU 49 -3.978 23.416 -20.677 398 HD23 LEU 49 HD23 LEU 49 -3.160 22.017 -21.365 399 H LYS 50 H LYS 50 -6.860 21.441 -16.277 400 HA LYS 50 HA LYS 50 -7.906 23.964 -15.569 401 HB2 LYS 50 HB3 LYS 50 -8.275 21.266 -14.432 402 HB3 LYS 50 HB2 LYS 50 -9.270 22.641 -14.007 403 HG2 LYS 50 HG3 LYS 50 -9.078 21.352 -16.734 404 HG3 LYS 50 HG2 LYS 50 -10.394 21.078 -15.594 405 HD2 LYS 50 HD3 LYS 50 -11.335 22.635 -17.038 406 HD3 LYS 50 HD2 LYS 50 -10.678 23.693 -15.802 407 HE2 LYS 50 HE3 LYS 50 -8.653 24.042 -17.269 408 HE3 LYS 50 HE2 LYS 50 -9.431 23.036 -18.475 409 HZ1 LYS 50 HZ1 LYS 50 -10.486 25.632 -17.471 410 HZ2 LYS 50 HZ2 LYS 50 -11.248 24.645 -18.564 411 HZ3 LYS 50 HZ3 LYS 50 -9.781 25.348 -18.973 412 H ALA 51 H ALA 51 -6.092 21.502 -13.775 413 HA ALA 51 HA ALA 51 -5.939 22.809 -11.328 414 HB1 ALA 51 HB1 ALA 51 -3.884 20.947 -12.521 415 HB2 ALA 51 HB2 ALA 51 -5.342 20.452 -11.664 416 HB3 ALA 51 HB3 ALA 51 -4.076 21.331 -10.811 417 H VAL 52 H VAL 52 -3.722 22.985 -14.066 418 HA VAL 52 HA VAL 52 -1.713 24.536 -12.896 419 HB VAL 52 HB VAL 52 -2.542 24.331 -15.815 420 HG11 VAL 52 HG11 VAL 52 -0.346 25.238 -16.398 421 HG12 VAL 52 HG12 VAL 52 0.018 25.502 -14.696 422 HG13 VAL 52 HG13 VAL 52 -1.275 26.413 -15.470 423 HG21 VAL 52 HG21 VAL 52 -0.298 23.052 -14.267 424 HG22 VAL 52 HG22 VAL 52 -0.616 22.855 -15.991 425 HG23 VAL 52 HG23 VAL 52 -1.778 22.261 -14.807 426 H HIS 53 H HIS 53 -4.807 25.537 -14.105 427 HA HIS 53 HA HIS 53 -3.982 28.343 -14.200 428 HB2 HIS 53 HB3 HIS 53 -5.524 27.193 -15.845 429 HB3 HIS 53 HB2 HIS 53 -6.737 27.258 -14.598 430 HD1 HIS 53 HD1 HIS 53 -8.269 29.241 -14.757 431 HD2 HIS 53 HD2 HIS 53 -4.469 30.091 -16.210 432 HE1 HIS 53 HE1 HIS 53 -8.357 31.609 -15.535 433 H VAL 54 H VAL 54 -5.575 26.150 -12.150 434 HA VAL 54 HA VAL 54 -6.995 28.241 -10.680 435 HB VAL 54 HB VAL 54 -6.912 25.237 -10.204 436 HG11 VAL 54 HG11 VAL 54 -8.645 27.334 -8.887 437 HG12 VAL 54 HG12 VAL 54 -7.351 26.388 -8.131 438 HG13 VAL 54 HG13 VAL 54 -8.809 25.583 -8.693 439 HG21 VAL 54 HG21 VAL 54 -8.054 25.819 -12.276 440 HG22 VAL 54 HG22 VAL 54 -9.081 26.962 -11.409 441 HG23 VAL 54 HG23 VAL 54 -9.205 25.234 -11.076 442 H LEU 55 H LEU 55 -4.686 25.631 -9.958 443 HA LEU 55 HA LEU 55 -3.962 26.595 -7.485 444 HB2 LEU 55 HB3 LEU 55 -3.157 24.595 -9.493 445 HB3 LEU 55 HB2 LEU 55 -2.136 24.892 -8.148 446 HG LEU 55 HG LEU 55 -3.712 22.982 -8.086 447 HD11 LEU 55 HD11 LEU 55 -3.912 25.018 -5.829 448 HD12 LEU 55 HD12 LEU 55 -2.650 23.798 -6.007 449 HD13 LEU 55 HD13 LEU 55 -4.305 23.312 -5.642 450 HD21 LEU 55 HD21 LEU 55 -6.049 23.413 -7.221 451 HD22 LEU 55 HD22 LEU 55 -5.750 23.873 -8.895 452 HD23 LEU 55 HD23 LEU 55 -5.783 25.105 -7.638 453 H GLU 56 H GLU 56 -3.072 27.292 -10.694 454 HA GLU 56 HA GLU 56 -1.583 28.521 -11.748 455 HB2 GLU 56 HB3 GLU 56 -0.933 29.731 -9.057 456 HB3 GLU 56 HB2 GLU 56 -0.351 30.336 -10.600 457 HG2 GLU 56 HG3 GLU 56 -2.692 30.744 -11.274 458 HG3 GLU 56 HG2 GLU 56 -3.209 30.227 -9.668 459 H LEU 57 H LEU 57 -0.474 26.949 -12.438 460 HA LEU 57 HA LEU 57 2.082 26.376 -11.123 461 HB2 LEU 57 HB3 LEU 57 0.451 24.679 -12.865 462 HB3 LEU 57 HB2 LEU 57 2.005 24.182 -12.239 463 HG LEU 57 HG LEU 57 -0.527 24.609 -10.613 464 HD11 LEU 57 HD11 LEU 57 0.985 22.091 -11.283 465 HD12 LEU 57 HD12 LEU 57 -0.586 22.566 -11.928 466 HD13 LEU 57 HD13 LEU 57 -0.412 22.201 -10.213 467 HD21 LEU 57 HD21 LEU 57 2.216 23.703 -9.734 468 HD22 LEU 57 HD22 LEU 57 0.769 23.727 -8.728 469 HD23 LEU 57 HD23 LEU 57 1.445 25.240 -9.329 470 H ASN 58 H ASN 58 3.594 25.486 -12.971 471 HA ASN 58 HA ASN 58 3.171 27.126 -15.360 472 HB2 ASN 58 HB3 ASN 58 4.789 28.188 -13.792 473 HB3 ASN 58 HB2 ASN 58 5.768 26.728 -13.848 474 HD21 ASN 58 HD21 ASN 58 5.854 29.458 -16.814 475 HD22 ASN 58 HD22 ASN 58 4.658 29.503 -15.566 476 HA PRO 59 HA PRO 59 3.883 23.334 -17.640 477 HB2 PRO 59 HB3 PRO 59 5.635 24.470 -19.563 478 HB3 PRO 59 HB2 PRO 59 3.898 24.210 -19.717 479 HG2 PRO 59 HG3 PRO 59 5.384 26.668 -18.975 480 HG3 PRO 59 HG2 PRO 59 3.845 26.504 -19.834 481 HD2 PRO 59 HD3 PRO 59 3.955 27.327 -17.299 482 HD3 PRO 59 HD2 PRO 59 2.636 26.280 -17.863 483 H GLN 60 H GLN 60 6.685 25.355 -16.732 484 HA GLN 60 HA GLN 60 8.722 23.491 -17.142 485 HB2 GLN 60 HB3 GLN 60 8.932 25.950 -16.833 486 HB3 GLN 60 HB2 GLN 60 8.437 25.769 -15.173 487 HG2 GLN 60 HG3 GLN 60 10.861 24.509 -16.293 488 HG3 GLN 60 HG2 GLN 60 10.910 26.163 -15.682 489 HE21 GLN 60 HE21 GLN 60 10.751 25.178 -12.264 490 HE22 GLN 60 HE22 GLN 60 10.384 26.433 -13.374 491 H ASP 61 H ASP 61 6.453 24.058 -14.403 492 HA ASP 61 HA ASP 61 7.911 22.404 -12.669 493 HB2 ASP 61 HB3 ASP 61 5.748 24.350 -12.617 494 HB3 ASP 61 HB2 ASP 61 5.676 23.097 -11.410 495 H ILE 62 H ILE 62 5.731 21.774 -15.101 496 HA ILE 62 HA ILE 62 3.902 20.085 -13.862 497 HB ILE 62 HB ILE 62 4.919 19.911 -16.709 498 HG12 ILE 62 HG13 ILE 62 3.798 21.988 -16.168 499 HG13 ILE 62 HG12 ILE 62 2.782 20.988 -17.214 500 HG21 ILE 62 HG21 ILE 62 2.538 18.517 -15.484 501 HG22 ILE 62 HG22 ILE 62 4.014 17.738 -16.059 502 HG23 ILE 62 HG23 ILE 62 2.942 18.554 -17.200 503 HD11 ILE 62 HD11 ILE 62 1.453 22.075 -15.526 504 HD12 ILE 62 HD12 ILE 62 2.460 21.414 -14.250 505 HD13 ILE 62 HD13 ILE 62 1.466 20.336 -15.237 506 HA PRO 63 HA PRO 63 6.836 16.256 -14.390 507 HB2 PRO 63 HB3 PRO 63 9.519 17.354 -14.769 508 HB3 PRO 63 HB2 PRO 63 8.664 16.118 -15.692 509 HG2 PRO 63 HG3 PRO 63 9.178 18.541 -16.742 510 HG3 PRO 63 HG2 PRO 63 7.691 17.652 -17.120 511 HD2 PRO 63 HD3 PRO 63 8.114 19.860 -15.132 512 HD3 PRO 63 HD2 PRO 63 6.816 19.674 -16.336 513 H LYS 64 H LYS 64 7.491 19.110 -12.983 514 HA LYS 64 HA LYS 64 9.270 18.219 -10.860 515 HB2 LYS 64 HB3 LYS 64 7.968 20.882 -11.310 516 HB3 LYS 64 HB2 LYS 64 9.256 20.542 -10.164 517 HG2 LYS 64 HG3 LYS 64 9.514 20.131 -13.122 518 HG3 LYS 64 HG2 LYS 64 9.994 21.612 -12.305 519 HD2 LYS 64 HD3 LYS 64 11.524 20.357 -10.936 520 HD3 LYS 64 HD2 LYS 64 11.062 18.846 -11.725 521 HE2 LYS 64 HE3 LYS 64 11.873 19.692 -13.848 522 HE3 LYS 64 HE2 LYS 64 12.300 21.231 -13.113 523 HZ1 LYS 64 HZ1 LYS 64 13.896 19.986 -11.691 524 HZ2 LYS 64 HZ2 LYS 64 14.235 19.882 -13.324 525 HZ3 LYS 64 HZ3 LYS 64 13.509 18.581 -12.553 526 H TYR 65 H TYR 65 5.915 18.511 -11.391 527 HA TYR 65 HA TYR 65 5.428 18.274 -8.513 528 HB2 TYR 65 HB3 TYR 65 3.811 19.533 -10.694 529 HB3 TYR 65 HB2 TYR 65 3.043 18.891 -9.245 530 HD1 TYR 65 HD1 TYR 65 2.514 20.433 -7.756 531 HD2 TYR 65 HD2 TYR 65 6.061 21.038 -9.947 532 HE1 TYR 65 HE1 TYR 65 2.903 22.535 -6.515 533 HE2 TYR 65 HE2 TYR 65 6.484 23.130 -8.731 534 HH TYR 65 HH TYR 65 4.966 23.875 -5.927 535 H PHE 66 H PHE 66 3.931 17.341 -11.602 536 HA PHE 66 HA PHE 66 2.492 15.225 -10.347 537 HB2 PHE 66 HB3 PHE 66 2.832 15.932 -13.270 538 HB3 PHE 66 HB2 PHE 66 1.727 14.706 -12.662 539 HD1 PHE 66 HD1 PHE 66 -0.276 15.324 -11.455 540 HD2 PHE 66 HD2 PHE 66 2.365 18.296 -12.964 541 HE1 PHE 66 HE1 PHE 66 -2.004 17.033 -11.094 542 HE2 PHE 66 HE2 PHE 66 0.640 20.016 -12.605 543 HZ PHE 66 HZ PHE 66 -1.553 19.378 -11.657 544 H PHE 67 H PHE 67 5.566 15.505 -11.746 545 HA PHE 67 HA PHE 67 5.842 12.592 -11.611 546 HB2 PHE 67 HB3 PHE 67 7.267 14.354 -13.614 547 HB3 PHE 67 HB2 PHE 67 7.465 12.643 -13.426 548 HD1 PHE 67 HD1 PHE 67 5.097 15.209 -14.457 549 HD2 PHE 67 HD2 PHE 67 5.995 11.080 -14.339 550 HE1 PHE 67 HE1 PHE 67 3.276 14.783 -16.086 551 HE2 PHE 67 HE2 PHE 67 4.189 10.617 -15.947 552 HZ PHE 67 HZ PHE 67 2.824 12.473 -16.825 553 H ASN 68 H ASN 68 6.451 14.921 -9.672 554 HA ASN 68 HA ASN 68 9.031 15.391 -9.320 555 HB2 ASN 68 HB3 ASN 68 6.983 16.124 -8.057 556 HB3 ASN 68 HB2 ASN 68 7.118 14.601 -7.173 557 HD21 ASN 68 HD21 ASN 68 9.609 17.567 -6.580 558 HD22 ASN 68 HD22 ASN 68 8.443 17.605 -7.830 559 H ALA 69 H ALA 69 10.617 13.919 -9.354 560 HA ALA 69 HA ALA 69 10.198 11.347 -8.021 561 HB1 ALA 69 HB1 ALA 69 12.230 12.177 -10.092 562 HB2 ALA 69 HB2 ALA 69 10.808 11.166 -10.380 563 HB3 ALA 69 HB3 ALA 69 12.120 10.579 -9.359 564 H LYS 70 H LYS 70 10.654 13.763 -6.630 565 HA LYS 70 HA LYS 70 13.468 13.601 -5.836 566 HB2 LYS 70 HB3 LYS 70 12.435 15.866 -6.286 567 HB3 LYS 70 HB2 LYS 70 11.396 15.592 -4.900 568 HG2 LYS 70 HG3 LYS 70 13.379 15.449 -3.460 569 HG3 LYS 70 HG2 LYS 70 14.394 15.746 -4.871 570 HD2 LYS 70 HD3 LYS 70 12.330 17.637 -3.745 571 HD3 LYS 70 HD2 LYS 70 14.078 17.780 -3.574 572 HE2 LYS 70 HE3 LYS 70 14.282 17.975 -6.031 573 HE3 LYS 70 HE2 LYS 70 12.529 17.888 -6.162 574 HZ1 LYS 70 HZ1 LYS 70 14.055 20.022 -4.785 575 HZ2 LYS 70 HZ2 LYS 70 12.379 19.911 -4.839 576 HZ3 LYS 70 HZ3 LYS 70 13.251 20.151 -6.260 577 H VAL 71 H VAL 71 13.258 11.667 -5.317 578 HA VAL 71 HA VAL 71 12.841 11.449 -2.460 579 HB VAL 71 HB VAL 71 12.177 9.271 -4.476 580 HG11 VAL 71 HG11 VAL 71 11.801 9.504 -1.549 581 HG12 VAL 71 HG12 VAL 71 13.081 8.627 -2.390 582 HG13 VAL 71 HG13 VAL 71 11.379 8.077 -2.536 583 HG21 VAL 71 HG21 VAL 71 9.824 9.528 -3.823 584 HG22 VAL 71 HG22 VAL 71 10.432 11.017 -4.552 585 HG23 VAL 71 HG23 VAL 71 10.249 10.902 -2.804 586 H HIS 72 H HIS 72 14.967 11.388 -1.945 587 HA HIS 72 HA HIS 72 16.735 9.995 -3.773 588 HB2 HIS 72 HB3 HIS 72 18.673 10.953 -2.626 589 HB3 HIS 72 HB2 HIS 72 17.537 12.212 -3.042 590 HD1 HIS 72 HD1 HIS 72 19.685 11.199 -0.377 591 HD2 HIS 72 HD2 HIS 72 15.909 12.910 -0.564 592 HE1 HIS 72 HE1 HIS 72 19.319 12.286 1.844 Start of MODEL 7 1 H GLY -1 H GLY -1 10.259 2.651 -2.488 2 HA2 GLY -1 HA2 GLY -1 8.285 3.945 -2.050 3 HA3 GLY -1 HA3 GLY -1 9.342 4.764 -3.199 4 H SER 0 H SER 0 7.802 5.134 -4.719 5 HA SER 0 HA SER 0 6.910 4.778 -6.730 6 HB2 SER 0 HB3 SER 0 8.739 3.065 -7.064 7 HB3 SER 0 HB2 SER 0 7.633 1.840 -6.466 8 HG SER 0 HG SER 0 6.213 2.519 -8.211 9 H MET 1 H MET 1 5.705 4.040 -3.970 10 HA MET 1 HA MET 1 3.120 3.176 -5.062 11 HB2 MET 1 HB3 MET 1 3.984 1.422 -3.567 12 HB3 MET 1 HB2 MET 1 4.303 2.623 -2.325 13 HG2 MET 1 HG3 MET 1 2.319 1.410 -1.739 14 HG3 MET 1 HG2 MET 1 1.877 3.059 -2.166 15 HE1 MET 1 HE1 MET 1 -0.303 0.794 -1.927 16 HE2 MET 1 HE2 MET 1 -1.257 1.081 -3.381 17 HE3 MET 1 HE3 MET 1 -0.671 2.444 -2.427 18 H SER 2 H SER 2 2.119 5.024 -5.282 19 HA SER 2 HA SER 2 1.202 7.023 -4.935 20 HB2 SER 2 HB3 SER 2 0.494 6.098 -2.678 21 HB3 SER 2 HB2 SER 2 1.986 6.741 -1.999 22 HG SER 2 HG SER 2 0.268 8.481 -3.397 23 H TYR 3 H TYR 3 2.080 8.816 -5.695 24 HA TYR 3 HA TYR 3 4.874 9.291 -5.452 25 HB2 TYR 3 HB3 TYR 3 2.599 10.748 -6.748 26 HB3 TYR 3 HB2 TYR 3 4.128 11.582 -6.520 27 HD1 TYR 3 HD1 TYR 3 3.449 8.024 -7.520 28 HD2 TYR 3 HD2 TYR 3 5.033 11.807 -8.609 29 HE1 TYR 3 HE1 TYR 3 4.302 7.054 -9.624 30 HE2 TYR 3 HE2 TYR 3 5.876 10.873 -10.730 31 HH TYR 3 HH TYR 3 4.959 7.834 -11.882 32 H ASP 4 H ASP 4 5.739 11.427 -4.693 33 HA ASP 4 HA ASP 4 4.591 11.841 -2.055 34 HB2 ASP 4 HB3 ASP 4 7.003 11.332 -2.155 35 HB3 ASP 4 HB2 ASP 4 7.255 12.784 -3.121 36 H TYR 5 H TYR 5 3.042 13.204 -2.206 37 HA TYR 5 HA TYR 5 3.296 15.488 -3.954 38 HB2 TYR 5 HB3 TYR 5 0.950 14.490 -2.352 39 HB3 TYR 5 HB2 TYR 5 0.918 15.937 -3.358 40 HD1 TYR 5 HD1 TYR 5 1.429 15.690 -5.807 41 HD2 TYR 5 HD2 TYR 5 0.580 12.376 -3.298 42 HE1 TYR 5 HE1 TYR 5 0.941 14.316 -7.794 43 HE2 TYR 5 HE2 TYR 5 0.078 11.001 -5.265 44 HH TYR 5 HH TYR 5 -0.666 11.392 -7.624 45 H SER 6 H SER 6 4.719 15.185 -1.218 46 HA SER 6 HA SER 6 3.557 17.072 0.529 47 HB2 SER 6 HB3 SER 6 5.318 15.401 1.177 48 HB3 SER 6 HB2 SER 6 6.497 16.333 0.262 49 HG SER 6 HG SER 6 4.976 17.569 2.281 50 H SER 7 H SER 7 5.793 17.408 -2.150 51 HA SER 7 HA SER 7 6.384 20.149 -1.775 52 HB2 SER 7 HB3 SER 7 6.554 18.399 -4.220 53 HB3 SER 7 HB2 SER 7 7.397 19.933 -3.994 54 HG SER 7 HG SER 7 8.378 18.970 -2.136 55 H LEU 8 H LEU 8 3.751 18.434 -3.160 56 HA LEU 8 HA LEU 8 2.815 20.687 -4.763 57 HB2 LEU 8 HB3 LEU 8 2.884 18.109 -5.384 58 HB3 LEU 8 HB2 LEU 8 1.414 18.037 -4.464 59 HG LEU 8 HG LEU 8 1.745 19.814 -6.894 60 HD11 LEU 8 HD11 LEU 8 0.386 17.128 -6.708 61 HD12 LEU 8 HD12 LEU 8 1.972 17.390 -7.429 62 HD13 LEU 8 HD13 LEU 8 0.543 18.139 -8.144 63 HD21 LEU 8 HD21 LEU 8 -0.656 18.795 -5.469 64 HD22 LEU 8 HD22 LEU 8 -0.651 19.878 -6.877 65 HD23 LEU 8 HD23 LEU 8 0.005 20.431 -5.315 66 H LEU 9 H LEU 9 2.010 18.819 -1.853 67 HA LEU 9 HA LEU 9 -0.467 19.783 -1.281 68 HB2 LEU 9 HB3 LEU 9 1.781 18.659 0.303 69 HB3 LEU 9 HB2 LEU 9 0.313 19.173 1.084 70 HG LEU 9 HG LEU 9 0.454 17.056 -1.080 71 HD11 LEU 9 HD11 LEU 9 1.603 16.312 0.939 72 HD12 LEU 9 HD12 LEU 9 0.075 15.454 0.735 73 HD13 LEU 9 HD13 LEU 9 0.202 16.764 1.908 74 HD21 LEU 9 HD21 LEU 9 -1.819 16.507 -0.381 75 HD22 LEU 9 HD22 LEU 9 -1.742 18.186 -0.912 76 HD23 LEU 9 HD23 LEU 9 -1.782 17.805 0.804 77 H GLY 10 H GLY 10 2.663 21.281 -0.708 78 HA2 GLY 10 HA3 GLY 10 1.815 23.183 1.199 79 HA3 GLY 10 HA2 GLY 10 3.188 23.394 0.119 80 H LYS 11 H LYS 11 1.929 23.306 -2.345 81 HA LYS 11 HA LYS 11 0.907 25.858 -2.678 82 HB2 LYS 11 HB3 LYS 11 0.951 23.360 -4.345 83 HB3 LYS 11 HB2 LYS 11 0.333 24.892 -4.930 84 HG2 LYS 11 HG3 LYS 11 3.122 24.521 -3.878 85 HG3 LYS 11 HG2 LYS 11 2.695 24.356 -5.586 86 HD2 LYS 11 HD3 LYS 11 1.885 26.639 -5.632 87 HD3 LYS 11 HD2 LYS 11 2.202 26.815 -3.911 88 HE2 LYS 11 HE3 LYS 11 4.328 26.252 -5.969 89 HE3 LYS 11 HE2 LYS 11 3.910 27.867 -5.415 90 HZ1 LYS 11 HZ1 LYS 11 4.512 27.167 -3.164 91 HZ2 LYS 11 HZ2 LYS 11 5.792 27.070 -4.241 92 HZ3 LYS 11 HZ3 LYS 11 5.000 25.653 -3.749 93 H ILE 12 H ILE 12 -0.530 22.675 -2.448 94 HA ILE 12 HA ILE 12 -3.190 23.373 -2.925 95 HB ILE 12 HB ILE 12 -2.087 21.118 -1.229 96 HG12 ILE 12 HG13 ILE 12 -3.137 21.176 -4.063 97 HG13 ILE 12 HG12 ILE 12 -1.443 21.084 -3.598 98 HG21 ILE 12 HG21 ILE 12 -4.907 21.513 -2.254 99 HG22 ILE 12 HG22 ILE 12 -4.398 21.576 -0.569 100 HG23 ILE 12 HG23 ILE 12 -4.301 20.059 -1.462 101 HD11 ILE 12 HD11 ILE 12 -2.460 18.945 -4.309 102 HD12 ILE 12 HD12 ILE 12 -3.484 19.002 -2.862 103 HD13 ILE 12 HD13 ILE 12 -1.726 18.910 -2.717 104 H THR 13 H THR 13 -1.499 23.062 0.209 105 HA THR 13 HA THR 13 -3.633 23.785 1.828 106 HB THR 13 HB THR 13 -0.701 24.280 2.270 107 HG1 THR 13 HG1 THR 13 -2.441 22.119 2.936 108 HG21 THR 13 HG21 THR 13 -1.273 24.163 4.681 109 HG22 THR 13 HG22 THR 13 -2.980 24.014 4.258 110 HG23 THR 13 HG23 THR 13 -2.108 25.499 3.886 111 H GLU 14 H GLU 14 -1.172 25.812 0.314 112 HA GLU 14 HA GLU 14 -2.165 28.066 1.663 113 HB2 GLU 14 HB3 GLU 14 -0.157 27.598 -0.345 114 HB3 GLU 14 HB2 GLU 14 -0.480 29.287 0.138 115 HG2 GLU 14 HG3 GLU 14 0.003 28.425 2.503 116 HG3 GLU 14 HG2 GLU 14 0.586 26.954 1.733 117 H LYS 15 H LYS 15 -3.090 26.613 -1.390 118 HA LYS 15 HA LYS 15 -4.242 29.081 -2.254 119 HB2 LYS 15 HB3 LYS 15 -3.298 26.624 -3.366 120 HB3 LYS 15 HB2 LYS 15 -4.926 26.973 -3.898 121 HG2 LYS 15 HG3 LYS 15 -3.368 27.926 -5.495 122 HG3 LYS 15 HG2 LYS 15 -4.055 29.255 -4.574 123 HD2 LYS 15 HD3 LYS 15 -2.075 29.225 -3.098 124 HD3 LYS 15 HD2 LYS 15 -1.375 27.965 -4.114 125 HE2 LYS 15 HE3 LYS 15 -1.490 29.455 -6.049 126 HE3 LYS 15 HE2 LYS 15 -2.182 30.703 -5.014 127 HZ1 LYS 15 HZ1 LYS 15 0.169 31.070 -5.345 128 HZ2 LYS 15 HZ2 LYS 15 0.546 29.549 -4.750 129 HZ3 LYS 15 HZ3 LYS 15 -0.124 30.712 -3.726 130 H CYS 16 H CYS 16 -5.098 25.699 -1.439 131 HA CYS 16 HA CYS 16 -7.872 26.391 -1.658 132 HB2 CYS 16 HB3 CYS 16 -6.355 23.806 -1.738 133 HB3 CYS 16 HB2 CYS 16 -8.073 24.025 -1.994 134 HG CYS 16 HG CYS 16 -7.415 25.828 -4.243 135 H GLY 17 H GLY 17 -5.392 24.653 0.244 136 HA2 GLY 17 HA3 GLY 17 -5.700 25.104 2.713 137 HA3 GLY 17 HA2 GLY 17 -7.333 24.633 2.319 138 H THR 18 H THR 18 -7.478 22.600 1.102 139 HA THR 18 HA THR 18 -5.755 20.493 2.217 140 HB THR 18 HB THR 18 -7.792 19.257 2.932 141 HG1 THR 18 HG1 THR 18 -9.693 20.825 3.130 142 HG21 THR 18 HG21 THR 18 -8.364 20.702 4.899 143 HG22 THR 18 HG22 THR 18 -7.497 22.023 4.067 144 HG23 THR 18 HG23 THR 18 -6.617 20.603 4.598 145 H GLN 19 H GLN 19 -6.582 18.312 1.229 146 HA GLN 19 HA GLN 19 -6.734 18.566 -1.584 147 HB2 GLN 19 HB3 GLN 19 -7.154 16.144 0.199 148 HB3 GLN 19 HB2 GLN 19 -7.055 16.066 -1.554 149 HG2 GLN 19 HG3 GLN 19 -4.762 16.919 -1.465 150 HG3 GLN 19 HG2 GLN 19 -4.861 17.014 0.287 151 HE21 GLN 19 HE21 GLN 19 -4.119 13.493 -1.582 152 HE22 GLN 19 HE22 GLN 19 -4.556 14.907 -2.459 153 H TYR 20 H TYR 20 -9.029 18.434 0.938 154 HA TYR 20 HA TYR 20 -11.359 17.695 -0.515 155 HB2 TYR 20 HB3 TYR 20 -11.144 17.804 2.003 156 HB3 TYR 20 HB2 TYR 20 -11.124 19.527 1.846 157 HD1 TYR 20 HD1 TYR 20 -13.074 20.687 2.242 158 HD2 TYR 20 HD2 TYR 20 -13.324 16.767 0.606 159 HE1 TYR 20 HE1 TYR 20 -15.527 20.855 2.221 160 HE2 TYR 20 HE2 TYR 20 -15.774 16.926 0.585 161 HH TYR 20 HH TYR 20 -17.420 19.837 1.002 162 H ASN 21 H ASN 21 -10.179 20.759 0.665 163 HA ASN 21 HA ASN 21 -11.945 22.430 -0.708 164 HB2 ASN 21 HB3 ASN 21 -9.132 22.983 0.157 165 HB3 ASN 21 HB2 ASN 21 -10.221 24.197 -0.455 166 HD21 ASN 21 HD21 ASN 21 -10.103 24.275 3.267 167 HD22 ASN 21 HD22 ASN 21 -9.003 24.382 1.980 168 H PHE 22 H PHE 22 -8.842 21.202 -1.637 169 HA PHE 22 HA PHE 22 -8.261 22.346 -4.094 170 HB2 PHE 22 HB3 PHE 22 -6.976 20.558 -2.853 171 HB3 PHE 22 HB2 PHE 22 -8.151 19.417 -3.402 172 HD1 PHE 22 HD1 PHE 22 -5.345 21.502 -4.484 173 HD2 PHE 22 HD2 PHE 22 -8.163 18.541 -5.626 174 HE1 PHE 22 HE1 PHE 22 -4.004 20.997 -6.487 175 HE2 PHE 22 HE2 PHE 22 -6.834 18.032 -7.632 176 HZ PHE 22 HZ PHE 22 -4.746 19.263 -8.060 177 H ALA 23 H ALA 23 -10.103 19.460 -3.466 178 HA ALA 23 HA ALA 23 -11.160 18.952 -5.970 179 HB1 ALA 23 HB1 ALA 23 -12.876 17.606 -4.852 180 HB2 ALA 23 HB2 ALA 23 -12.561 18.430 -3.333 181 HB3 ALA 23 HB3 ALA 23 -11.333 17.384 -4.020 182 H ILE 24 H ILE 24 -12.571 20.837 -3.301 183 HA ILE 24 HA ILE 24 -14.990 21.564 -4.370 184 HB ILE 24 HB ILE 24 -13.174 23.172 -2.588 185 HG12 ILE 24 HG13 ILE 24 -13.613 20.923 -1.719 186 HG13 ILE 24 HG12 ILE 24 -14.351 22.163 -0.761 187 HG21 ILE 24 HG21 ILE 24 -14.955 24.568 -3.485 188 HG22 ILE 24 HG22 ILE 24 -15.221 24.253 -1.771 189 HG23 ILE 24 HG23 ILE 24 -16.160 23.379 -2.981 190 HD11 ILE 24 HD11 ILE 24 -15.732 20.389 -2.754 191 HD12 ILE 24 HD12 ILE 24 -16.509 21.660 -1.802 192 HD13 ILE 24 HD13 ILE 24 -15.800 20.257 -0.994 193 H ALA 25 H ALA 25 -11.933 23.350 -4.477 194 HA ALA 25 HA ALA 25 -12.844 25.559 -5.974 195 HB1 ALA 25 HB1 ALA 25 -10.486 26.118 -6.231 196 HB2 ALA 25 HB2 ALA 25 -10.034 24.498 -5.701 197 HB3 ALA 25 HB3 ALA 25 -10.828 25.602 -4.579 198 H MET 26 H MET 26 -11.357 22.531 -6.926 199 HA MET 26 HA MET 26 -11.258 23.333 -9.682 200 HB2 MET 26 HB3 MET 26 -10.453 20.888 -8.206 201 HB3 MET 26 HB2 MET 26 -10.495 20.828 -9.947 202 HG2 MET 26 HG3 MET 26 -8.955 22.859 -9.891 203 HG3 MET 26 HG2 MET 26 -8.811 22.584 -8.160 204 HE1 MET 26 HE1 MET 26 -9.048 19.909 -11.096 205 HE2 MET 26 HE2 MET 26 -7.337 19.621 -11.395 206 HE3 MET 26 HE3 MET 26 -8.041 21.196 -11.759 207 H GLY 27 H GLY 27 -13.718 22.274 -7.811 208 HA2 GLY 27 HA3 GLY 27 -15.868 21.615 -8.351 209 HA3 GLY 27 HA2 GLY 27 -15.430 21.805 -10.046 210 H LEU 28 H LEU 28 -13.798 19.796 -7.773 211 HA LEU 28 HA LEU 28 -14.464 17.382 -9.359 212 HB2 LEU 28 HB3 LEU 28 -12.094 18.017 -7.633 213 HB3 LEU 28 HB2 LEU 28 -12.409 16.487 -8.416 214 HG LEU 28 HG LEU 28 -11.852 19.088 -9.846 215 HD11 LEU 28 HD11 LEU 28 -9.731 17.975 -10.420 216 HD12 LEU 28 HD12 LEU 28 -10.211 16.624 -9.379 217 HD13 LEU 28 HD13 LEU 28 -9.911 18.212 -8.674 218 HD21 LEU 28 HD21 LEU 28 -12.161 16.276 -10.817 219 HD22 LEU 28 HD22 LEU 28 -11.677 17.657 -11.812 220 HD23 LEU 28 HD23 LEU 28 -13.301 17.594 -11.106 221 H SER 29 H SER 29 -14.440 15.469 -8.166 222 HA SER 29 HA SER 29 -16.011 15.841 -5.770 223 HB2 SER 29 HB3 SER 29 -15.452 13.339 -7.302 224 HB3 SER 29 HB2 SER 29 -16.791 13.638 -6.183 225 HG SER 29 HG SER 29 -17.105 15.527 -7.804 226 H GLU 30 H GLU 30 -15.414 14.961 -3.813 227 HA GLU 30 HA GLU 30 -12.797 15.222 -3.043 228 HB2 GLU 30 HB3 GLU 30 -14.741 15.423 -1.562 229 HB3 GLU 30 HB2 GLU 30 -15.007 13.700 -1.664 230 HG2 GLU 30 HG3 GLU 30 -12.477 14.837 -0.520 231 HG3 GLU 30 HG2 GLU 30 -13.930 14.666 0.450 232 H ARG 31 H ARG 31 -14.460 12.045 -3.585 233 HA ARG 31 HA ARG 31 -12.205 10.536 -2.945 234 HB2 ARG 31 HB3 ARG 31 -14.666 9.962 -4.568 235 HB3 ARG 31 HB2 ARG 31 -13.432 8.791 -4.211 236 HG2 ARG 31 HG3 ARG 31 -15.132 10.185 -2.127 237 HG3 ARG 31 HG2 ARG 31 -15.412 8.585 -2.838 238 HD2 ARG 31 HD3 ARG 31 -14.374 8.309 -0.670 239 HD3 ARG 31 HD2 ARG 31 -13.257 7.814 -1.934 240 HE ARG 31 HE ARG 31 -13.073 10.490 -0.754 241 HH11 ARG 31 HH11 ARG 31 -11.665 7.236 -1.097 242 HH12 ARG 31 HH12 ARG 31 -10.102 7.711 -0.643 243 HH21 ARG 31 HH21 ARG 31 -10.965 11.107 -0.098 244 HH22 ARG 31 HH22 ARG 31 -9.684 9.951 -0.056 245 H THR 32 H THR 32 -13.428 12.025 -5.864 246 HA THR 32 HA THR 32 -11.913 10.501 -7.708 247 HB THR 32 HB THR 32 -13.047 13.311 -8.155 248 HG1 THR 32 HG1 THR 32 -14.854 11.754 -8.939 249 HG21 THR 32 HG21 THR 32 -11.650 12.319 -9.938 250 HG22 THR 32 HG22 THR 32 -13.336 12.482 -10.427 251 HG23 THR 32 HG23 THR 32 -12.702 10.903 -9.959 252 H VAL 33 H VAL 33 -11.433 13.624 -6.116 253 HA VAL 33 HA VAL 33 -8.996 14.261 -7.225 254 HB VAL 33 HB VAL 33 -10.444 15.016 -4.705 255 HG11 VAL 33 HG11 VAL 33 -7.879 16.068 -5.871 256 HG12 VAL 33 HG12 VAL 33 -8.039 15.186 -4.321 257 HG13 VAL 33 HG13 VAL 33 -8.828 16.778 -4.546 258 HG21 VAL 33 HG21 VAL 33 -10.615 16.996 -5.888 259 HG22 VAL 33 HG22 VAL 33 -11.158 15.592 -6.899 260 HG23 VAL 33 HG23 VAL 33 -9.522 16.296 -7.084 261 H SER 34 H SER 34 -9.934 12.513 -4.355 262 HA SER 34 HA SER 34 -7.379 12.595 -3.651 263 HB2 SER 34 HB3 SER 34 -9.551 10.884 -2.466 264 HB3 SER 34 HB2 SER 34 -7.979 11.162 -1.709 265 HG SER 34 HG SER 34 -10.046 13.001 -2.245 266 H LEU 35 H LEU 35 -9.012 10.591 -5.780 267 HA LEU 35 HA LEU 35 -7.272 8.314 -5.547 268 HB2 LEU 35 HB3 LEU 35 -9.557 8.982 -7.396 269 HB3 LEU 35 HB2 LEU 35 -8.622 7.506 -7.551 270 HG LEU 35 HG LEU 35 -10.107 8.264 -5.027 271 HD11 LEU 35 HD11 LEU 35 -11.849 6.727 -5.628 272 HD12 LEU 35 HD12 LEU 35 -11.083 6.353 -7.159 273 HD13 LEU 35 HD13 LEU 35 -11.719 7.972 -6.856 274 HD21 LEU 35 HD21 LEU 35 -8.830 5.692 -5.962 275 HD22 LEU 35 HD22 LEU 35 -9.846 5.840 -4.530 276 HD23 LEU 35 HD23 LEU 35 -8.318 6.709 -4.618 277 H LYS 36 H LYS 36 -7.691 11.121 -7.701 278 HA LYS 36 HA LYS 36 -5.715 10.339 -9.526 279 HB2 LYS 36 HB3 LYS 36 -7.078 12.908 -8.912 280 HB3 LYS 36 HB2 LYS 36 -5.831 12.788 -10.124 281 HG2 LYS 36 HG3 LYS 36 -7.164 11.597 -11.586 282 HG3 LYS 36 HG2 LYS 36 -8.182 10.937 -10.294 283 HD2 LYS 36 HD3 LYS 36 -8.871 13.045 -9.784 284 HD3 LYS 36 HD2 LYS 36 -8.079 13.817 -11.170 285 HE2 LYS 36 HE3 LYS 36 -10.231 11.651 -11.371 286 HE3 LYS 36 HE2 LYS 36 -10.590 13.364 -11.509 287 HZ1 LYS 36 HZ1 LYS 36 -10.415 12.199 -13.636 288 HZ2 LYS 36 HZ2 LYS 36 -8.793 11.876 -13.368 289 HZ3 LYS 36 HZ3 LYS 36 -9.357 13.478 -13.514 290 H LEU 37 H LEU 37 -5.953 12.675 -6.911 291 HA LEU 37 HA LEU 37 -3.226 13.567 -7.142 292 HB2 LEU 37 HB3 LEU 37 -4.924 15.177 -6.912 293 HB3 LEU 37 HB2 LEU 37 -5.632 14.526 -5.495 294 HG LEU 37 HG LEU 37 -3.340 15.051 -4.473 295 HD11 LEU 37 HD11 LEU 37 -2.217 15.655 -6.432 296 HD12 LEU 37 HD12 LEU 37 -2.414 17.128 -5.447 297 HD13 LEU 37 HD13 LEU 37 -3.506 16.796 -6.820 298 HD21 LEU 37 HD21 LEU 37 -5.385 17.157 -5.111 299 HD22 LEU 37 HD22 LEU 37 -4.172 17.270 -3.836 300 HD23 LEU 37 HD23 LEU 37 -5.426 16.033 -3.753 301 H ASN 38 H ASN 38 -3.613 10.827 -6.307 302 HA ASN 38 HA ASN 38 -2.032 11.179 -3.957 303 HB2 ASN 38 HB3 ASN 38 -4.453 10.735 -3.220 304 HB3 ASN 38 HB2 ASN 38 -4.188 9.134 -3.818 305 HD21 ASN 38 HD21 ASN 38 -2.338 7.933 -1.175 306 HD22 ASN 38 HD22 ASN 38 -3.077 7.667 -2.709 307 H ASP 39 H ASP 39 -3.506 8.573 -5.981 308 HA ASP 39 HA ASP 39 -0.887 7.430 -6.316 309 HB2 ASP 39 HB3 ASP 39 -1.184 5.364 -5.092 310 HB3 ASP 39 HB2 ASP 39 -1.302 6.752 -4.019 311 H LYS 40 H LYS 40 -4.416 7.020 -6.912 312 HA LYS 40 HA LYS 40 -3.551 4.562 -8.213 313 HB2 LYS 40 HB3 LYS 40 -5.769 3.693 -8.301 314 HB3 LYS 40 HB2 LYS 40 -5.584 4.468 -6.758 315 HG2 LYS 40 HG3 LYS 40 -7.070 6.122 -7.269 316 HG3 LYS 40 HG2 LYS 40 -6.850 5.919 -9.019 317 HD2 LYS 40 HD3 LYS 40 -7.711 3.522 -8.625 318 HD3 LYS 40 HD2 LYS 40 -8.323 4.136 -7.107 319 HE2 LYS 40 HE3 LYS 40 -9.682 5.756 -8.286 320 HE3 LYS 40 HE2 LYS 40 -8.975 5.264 -9.817 321 HZ1 LYS 40 HZ1 LYS 40 -9.914 3.056 -9.525 322 HZ2 LYS 40 HZ2 LYS 40 -11.142 4.194 -9.485 323 HZ3 LYS 40 HZ3 LYS 40 -10.609 3.490 -8.064 324 H VAL 41 H VAL 41 -4.992 7.619 -9.289 325 HA VAL 41 HA VAL 41 -4.422 6.655 -11.934 326 HB VAL 41 HB VAL 41 -6.332 8.120 -12.680 327 HG11 VAL 41 HG11 VAL 41 -6.943 5.580 -11.146 328 HG12 VAL 41 HG12 VAL 41 -6.411 5.677 -12.823 329 HG13 VAL 41 HG13 VAL 41 -7.997 6.295 -12.365 330 HG21 VAL 41 HG21 VAL 41 -7.101 7.824 -9.788 331 HG22 VAL 41 HG22 VAL 41 -8.241 8.244 -11.059 332 HG23 VAL 41 HG23 VAL 41 -6.883 9.310 -10.719 333 H THR 42 H THR 42 -4.018 8.302 -13.457 334 HA THR 42 HA THR 42 -2.470 10.424 -12.271 335 HB THR 42 HB THR 42 -1.704 10.527 -14.735 336 HG1 THR 42 HG1 THR 42 -2.440 7.904 -15.050 337 HG21 THR 42 HG21 THR 42 -1.257 8.021 -13.102 338 HG22 THR 42 HG22 THR 42 -0.354 9.529 -12.943 339 HG23 THR 42 HG23 THR 42 -0.231 8.576 -14.422 340 H TRP 43 H TRP 43 -2.452 12.403 -13.987 341 HA TRP 43 HA TRP 43 -5.227 13.306 -14.069 342 HB2 TRP 43 HB3 TRP 43 -2.618 14.784 -14.171 343 HB3 TRP 43 HB2 TRP 43 -4.172 15.538 -14.473 344 HD1 TRP 43 HD1 TRP 43 -5.648 16.139 -12.392 345 HE1 TRP 43 HE1 TRP 43 -5.148 16.223 -9.881 346 HE3 TRP 43 HE3 TRP 43 -1.302 13.469 -12.351 347 HZ2 TRP 43 HZ2 TRP 43 -3.162 15.292 -8.112 348 HZ3 TRP 43 HZ3 TRP 43 -0.173 13.111 -10.204 349 HH2 TRP 43 HH2 TRP 43 -1.097 14.002 -8.136 350 H LYS 44 H LYS 44 -6.192 13.788 -15.941 351 HA LYS 44 HA LYS 44 -4.774 13.490 -18.427 352 HB2 LYS 44 HB3 LYS 44 -7.579 14.456 -17.807 353 HB3 LYS 44 HB2 LYS 44 -6.954 14.139 -19.404 354 HG2 LYS 44 HG3 LYS 44 -7.349 12.115 -17.216 355 HG3 LYS 44 HG2 LYS 44 -8.373 12.324 -18.633 356 HD2 LYS 44 HD3 LYS 44 -6.493 11.706 -20.074 357 HD3 LYS 44 HD2 LYS 44 -5.458 11.531 -18.657 358 HE2 LYS 44 HE3 LYS 44 -6.949 9.779 -17.808 359 HE3 LYS 44 HE2 LYS 44 -7.934 9.929 -19.264 360 HZ1 LYS 44 HZ1 LYS 44 -5.081 9.152 -19.173 361 HZ2 LYS 44 HZ2 LYS 44 -6.002 9.268 -20.560 362 HZ3 LYS 44 HZ3 LYS 44 -6.366 8.093 -19.400 363 H ASP 45 H ASP 45 -4.919 15.381 -19.984 364 HA ASP 45 HA ASP 45 -3.635 17.568 -18.797 365 HB2 ASP 45 HB3 ASP 45 -4.734 17.065 -21.416 366 HB3 ASP 45 HB2 ASP 45 -4.076 18.679 -21.100 367 H ASP 46 H ASP 46 -6.891 16.981 -19.656 368 HA ASP 46 HA ASP 46 -7.974 19.569 -19.425 369 HB2 ASP 46 HB3 ASP 46 -9.229 16.878 -18.879 370 HB3 ASP 46 HB2 ASP 46 -10.121 18.385 -18.773 371 H GLU 47 H GLU 47 -7.105 17.226 -17.025 372 HA GLU 47 HA GLU 47 -8.424 18.576 -14.841 373 HB2 GLU 47 HB3 GLU 47 -6.105 16.673 -14.554 374 HB3 GLU 47 HB2 GLU 47 -7.435 16.937 -13.443 375 HG2 GLU 47 HG3 GLU 47 -7.606 15.538 -16.104 376 HG3 GLU 47 HG2 GLU 47 -7.523 14.750 -14.535 377 H ILE 48 H ILE 48 -5.187 18.175 -16.120 378 HA ILE 48 HA ILE 48 -3.720 19.627 -14.238 379 HB ILE 48 HB ILE 48 -3.067 19.121 -17.158 380 HG12 ILE 48 HG13 ILE 48 -2.298 17.605 -14.654 381 HG13 ILE 48 HG12 ILE 48 -3.491 17.090 -15.835 382 HG21 ILE 48 HG21 ILE 48 -1.236 19.915 -14.881 383 HG22 ILE 48 HG22 ILE 48 -1.685 20.929 -16.252 384 HG23 ILE 48 HG23 ILE 48 -0.719 19.480 -16.511 385 HD11 ILE 48 HD11 ILE 48 -1.746 16.899 -17.519 386 HD12 ILE 48 HD12 ILE 48 -1.396 15.905 -16.101 387 HD13 ILE 48 HD13 ILE 48 -0.547 17.433 -16.340 388 H LEU 49 H LEU 49 -5.185 20.706 -17.303 389 HA LEU 49 HA LEU 49 -4.080 23.251 -17.245 390 HB2 LEU 49 HB3 LEU 49 -5.683 23.901 -18.956 391 HB3 LEU 49 HB2 LEU 49 -4.936 22.355 -19.285 392 HG LEU 49 HG LEU 49 -6.965 21.331 -18.308 393 HD11 LEU 49 HD11 LEU 49 -7.794 23.369 -17.338 394 HD12 LEU 49 HD12 LEU 49 -9.032 22.636 -18.388 395 HD13 LEU 49 HD13 LEU 49 -8.104 24.059 -18.929 396 HD21 LEU 49 HD21 LEU 49 -7.056 22.824 -20.905 397 HD22 LEU 49 HD22 LEU 49 -8.147 21.499 -20.478 398 HD23 LEU 49 HD23 LEU 49 -6.404 21.211 -20.617 399 H LYS 50 H LYS 50 -6.732 22.071 -15.439 400 HA LYS 50 HA LYS 50 -7.525 24.705 -14.721 401 HB2 LYS 50 HB3 LYS 50 -8.438 21.997 -14.123 402 HB3 LYS 50 HB2 LYS 50 -8.881 23.248 -12.958 403 HG2 LYS 50 HG3 LYS 50 -9.451 23.342 -15.923 404 HG3 LYS 50 HG2 LYS 50 -10.605 22.806 -14.702 405 HD2 LYS 50 HD3 LYS 50 -10.705 24.947 -13.700 406 HD3 LYS 50 HD2 LYS 50 -9.309 25.538 -14.581 407 HE2 LYS 50 HE3 LYS 50 -11.314 26.480 -15.514 408 HE3 LYS 50 HE2 LYS 50 -10.575 25.359 -16.656 409 HZ1 LYS 50 HZ1 LYS 50 -12.236 23.708 -16.068 410 HZ2 LYS 50 HZ2 LYS 50 -12.968 25.147 -16.545 411 HZ3 LYS 50 HZ3 LYS 50 -12.913 24.750 -14.919 412 H ALA 51 H ALA 51 -5.822 21.989 -13.279 413 HA ALA 51 HA ALA 51 -5.434 22.985 -10.707 414 HB1 ALA 51 HB1 ALA 51 -3.545 21.247 -12.298 415 HB2 ALA 51 HB2 ALA 51 -4.922 20.671 -11.366 416 HB3 ALA 51 HB3 ALA 51 -3.555 21.430 -10.544 417 H VAL 52 H VAL 52 -3.473 23.429 -13.606 418 HA VAL 52 HA VAL 52 -1.367 24.892 -12.491 419 HB VAL 52 HB VAL 52 -2.492 24.976 -15.318 420 HG11 VAL 52 HG11 VAL 52 -0.341 25.925 -16.023 421 HG12 VAL 52 HG12 VAL 52 0.164 26.045 -14.334 422 HG13 VAL 52 HG13 VAL 52 -1.189 27.012 -14.923 423 HG21 VAL 52 HG21 VAL 52 -0.597 23.517 -15.847 424 HG22 VAL 52 HG22 VAL 52 -1.656 22.800 -14.629 425 HG23 VAL 52 HG23 VAL 52 -0.125 23.525 -14.147 426 H HIS 53 H HIS 53 -4.619 25.933 -13.282 427 HA HIS 53 HA HIS 53 -3.907 28.731 -13.162 428 HB2 HIS 53 HB3 HIS 53 -6.265 27.162 -13.973 429 HB3 HIS 53 HB2 HIS 53 -6.502 28.810 -13.432 430 HD1 HIS 53 HD1 HIS 53 -6.379 30.475 -15.302 431 HD2 HIS 53 HD2 HIS 53 -4.223 27.029 -16.169 432 HE1 HIS 53 HE1 HIS 53 -5.566 30.758 -17.654 433 H VAL 54 H VAL 54 -5.119 26.295 -11.057 434 HA VAL 54 HA VAL 54 -6.431 28.255 -9.349 435 HB VAL 54 HB VAL 54 -6.189 25.235 -9.098 436 HG11 VAL 54 HG11 VAL 54 -7.744 27.166 -7.364 437 HG12 VAL 54 HG12 VAL 54 -6.326 26.209 -6.902 438 HG13 VAL 54 HG13 VAL 54 -7.837 25.400 -7.285 439 HG21 VAL 54 HG21 VAL 54 -7.661 25.895 -10.912 440 HG22 VAL 54 HG22 VAL 54 -8.552 26.961 -9.827 441 HG23 VAL 54 HG23 VAL 54 -8.603 25.217 -9.584 442 H LEU 55 H LEU 55 -4.029 25.613 -9.027 443 HA LEU 55 HA LEU 55 -2.986 26.397 -6.640 444 HB2 LEU 55 HB3 LEU 55 -2.363 24.633 -8.919 445 HB3 LEU 55 HB2 LEU 55 -1.299 24.755 -7.570 446 HG LEU 55 HG LEU 55 -2.675 22.848 -7.531 447 HD11 LEU 55 HD11 LEU 55 -3.614 23.030 -5.208 448 HD12 LEU 55 HD12 LEU 55 -3.415 24.777 -5.317 449 HD13 LEU 55 HD13 LEU 55 -2.002 23.723 -5.356 450 HD21 LEU 55 HD21 LEU 55 -5.117 22.892 -7.051 451 HD22 LEU 55 HD22 LEU 55 -4.669 23.498 -8.647 452 HD23 LEU 55 HD23 LEU 55 -5.073 24.630 -7.357 453 H GLU 56 H GLU 56 -2.512 27.429 -9.861 454 HA GLU 56 HA GLU 56 -1.063 28.683 -10.991 455 HB2 GLU 56 HB3 GLU 56 -0.245 29.651 -8.252 456 HB3 GLU 56 HB2 GLU 56 0.317 30.374 -9.754 457 HG2 GLU 56 HG3 GLU 56 -1.988 30.935 -10.318 458 HG3 GLU 56 HG2 GLU 56 -2.529 30.221 -8.797 459 H LEU 57 H LEU 57 -0.027 27.018 -11.849 460 HA LEU 57 HA LEU 57 2.566 26.295 -10.672 461 HB2 LEU 57 HB3 LEU 57 0.698 24.649 -12.207 462 HB3 LEU 57 HB2 LEU 57 2.227 24.051 -11.601 463 HG LEU 57 HG LEU 57 -0.206 24.829 -9.955 464 HD11 LEU 57 HD11 LEU 57 -0.252 22.486 -9.307 465 HD12 LEU 57 HD12 LEU 57 1.114 22.165 -10.378 466 HD13 LEU 57 HD13 LEU 57 -0.431 22.683 -11.050 467 HD21 LEU 57 HD21 LEU 57 2.492 23.841 -9.010 468 HD22 LEU 57 HD22 LEU 57 1.068 24.061 -7.995 469 HD23 LEU 57 HD23 LEU 57 1.828 25.457 -8.755 470 H ASN 58 H ASN 58 3.657 24.904 -12.755 471 HA ASN 58 HA ASN 58 3.336 26.617 -15.107 472 HB2 ASN 58 HB3 ASN 58 5.290 27.362 -13.698 473 HB3 ASN 58 HB2 ASN 58 5.982 25.761 -13.906 474 HD21 ASN 58 HD21 ASN 58 6.135 28.524 -16.844 475 HD22 ASN 58 HD22 ASN 58 5.162 28.712 -15.430 476 HA PRO 59 HA PRO 59 3.222 22.651 -17.214 477 HB2 PRO 59 HB3 PRO 59 4.360 23.438 -19.622 478 HB3 PRO 59 HB2 PRO 59 2.655 23.615 -19.202 479 HG2 PRO 59 HG3 PRO 59 4.865 25.626 -19.052 480 HG3 PRO 59 HG2 PRO 59 3.185 25.842 -19.579 481 HD2 PRO 59 HD3 PRO 59 4.010 26.626 -17.156 482 HD3 PRO 59 HD2 PRO 59 2.387 25.931 -17.386 483 H GLN 60 H GLN 60 6.233 24.474 -16.968 484 HA GLN 60 HA GLN 60 7.787 22.142 -17.753 485 HB2 GLN 60 HB3 GLN 60 8.689 24.902 -16.910 486 HB3 GLN 60 HB2 GLN 60 9.733 23.630 -17.530 487 HG2 GLN 60 HG3 GLN 60 7.505 24.987 -19.041 488 HG3 GLN 60 HG2 GLN 60 9.232 25.278 -19.246 489 HE21 GLN 60 HE21 GLN 60 9.807 22.476 -21.213 490 HE22 GLN 60 HE22 GLN 60 10.465 23.735 -20.241 491 H ASP 61 H ASP 61 6.314 23.216 -15.010 492 HA ASP 61 HA ASP 61 8.399 22.055 -13.278 493 HB2 ASP 61 HB3 ASP 61 7.472 24.541 -13.023 494 HB3 ASP 61 HB2 ASP 61 6.174 23.723 -12.163 495 H ILE 62 H ILE 62 5.913 21.138 -14.883 496 HA ILE 62 HA ILE 62 4.059 19.966 -13.214 497 HB ILE 62 HB ILE 62 5.030 19.089 -15.915 498 HG12 ILE 62 HG13 ILE 62 3.856 21.213 -15.921 499 HG13 ILE 62 HG12 ILE 62 2.838 19.967 -16.635 500 HG21 ILE 62 HG21 ILE 62 2.704 17.890 -14.394 501 HG22 ILE 62 HG22 ILE 62 4.180 17.049 -14.863 502 HG23 ILE 62 HG23 ILE 62 3.059 17.608 -16.096 503 HD11 ILE 62 HD11 ILE 62 1.573 19.827 -14.534 504 HD12 ILE 62 HD12 ILE 62 1.529 21.430 -15.260 505 HD13 ILE 62 HD13 ILE 62 2.561 21.134 -13.868 506 HA PRO 63 HA PRO 63 6.525 15.916 -12.948 507 HB2 PRO 63 HB3 PRO 63 9.120 15.714 -13.488 508 HB3 PRO 63 HB2 PRO 63 7.884 15.727 -14.755 509 HG2 PRO 63 HG3 PRO 63 9.633 17.987 -13.867 510 HG3 PRO 63 HG2 PRO 63 9.247 17.456 -15.513 511 HD2 PRO 63 HD3 PRO 63 7.991 19.501 -14.175 512 HD3 PRO 63 HD2 PRO 63 7.245 18.593 -15.522 513 H LYS 64 H LYS 64 7.559 18.789 -11.914 514 HA LYS 64 HA LYS 64 9.213 17.965 -9.683 515 HB2 LYS 64 HB3 LYS 64 7.945 20.622 -10.243 516 HB3 LYS 64 HB2 LYS 64 9.264 20.300 -9.127 517 HG2 LYS 64 HG3 LYS 64 9.442 19.824 -12.086 518 HG3 LYS 64 HG2 LYS 64 9.873 21.344 -11.353 519 HD2 LYS 64 HD3 LYS 64 11.948 20.271 -11.548 520 HD3 LYS 64 HD2 LYS 64 11.484 19.834 -9.907 521 HE2 LYS 64 HE3 LYS 64 10.631 17.658 -10.784 522 HE3 LYS 64 HE2 LYS 64 11.146 18.145 -12.380 523 HZ1 LYS 64 HZ1 LYS 64 12.745 16.686 -11.350 524 HZ2 LYS 64 HZ2 LYS 64 12.928 17.725 -10.049 525 HZ3 LYS 64 HZ3 LYS 64 13.431 18.210 -11.581 526 H TYR 65 H TYR 65 5.902 18.792 -10.338 527 HA TYR 65 HA TYR 65 5.195 18.489 -7.529 528 HB2 TYR 65 HB3 TYR 65 3.684 19.502 -9.920 529 HB3 TYR 65 HB2 TYR 65 2.920 19.164 -8.376 530 HD1 TYR 65 HD1 TYR 65 4.659 21.569 -10.327 531 HD2 TYR 65 HD2 TYR 65 3.848 20.360 -6.348 532 HE1 TYR 65 HE1 TYR 65 5.266 23.813 -9.529 533 HE2 TYR 65 HE2 TYR 65 4.441 22.581 -5.534 534 HH TYR 65 HH TYR 65 5.846 24.431 -6.285 535 H PHE 66 H PHE 66 3.876 17.483 -10.642 536 HA PHE 66 HA PHE 66 2.227 15.498 -9.410 537 HB2 PHE 66 HB3 PHE 66 2.662 16.160 -12.323 538 HB3 PHE 66 HB2 PHE 66 1.411 15.097 -11.695 539 HD1 PHE 66 HD1 PHE 66 2.421 18.520 -12.291 540 HD2 PHE 66 HD2 PHE 66 -0.422 16.052 -10.331 541 HE1 PHE 66 HE1 PHE 66 0.920 20.449 -12.043 542 HE2 PHE 66 HE2 PHE 66 -1.932 17.973 -10.083 543 HZ PHE 66 HZ PHE 66 -1.261 20.177 -10.937 544 H PHE 67 H PHE 67 5.416 15.430 -10.278 545 HA PHE 67 HA PHE 67 5.193 12.573 -10.713 546 HB2 PHE 67 HB3 PHE 67 5.635 14.031 -12.703 547 HB3 PHE 67 HB2 PHE 67 7.329 14.137 -12.158 548 HD1 PHE 67 HD1 PHE 67 5.130 12.774 -14.332 549 HD2 PHE 67 HD2 PHE 67 8.162 11.573 -11.646 550 HE1 PHE 67 HE1 PHE 67 5.426 10.682 -15.635 551 HE2 PHE 67 HE2 PHE 67 8.497 9.471 -12.934 552 HZ PHE 67 HZ PHE 67 7.117 9.036 -14.930 553 H ASN 68 H ASN 68 5.940 14.514 -8.407 554 HA ASN 68 HA ASN 68 8.599 14.071 -7.639 555 HB2 ASN 68 HB3 ASN 68 6.568 15.612 -6.841 556 HB3 ASN 68 HB2 ASN 68 6.388 14.259 -5.721 557 HD21 ASN 68 HD21 ASN 68 9.433 16.767 -5.505 558 HD22 ASN 68 HD22 ASN 68 8.266 16.856 -6.749 559 H ALA 69 H ALA 69 9.053 11.998 -8.157 560 HA ALA 69 HA ALA 69 7.788 10.066 -6.411 561 HB1 ALA 69 HB1 ALA 69 7.864 9.463 -8.788 562 HB2 ALA 69 HB2 ALA 69 8.806 8.339 -7.804 563 HB3 ALA 69 HB3 ALA 69 9.624 9.578 -8.754 564 H LYS 70 H LYS 70 9.005 11.439 -4.781 565 HA LYS 70 HA LYS 70 11.697 10.956 -4.308 566 HB2 LYS 70 HB3 LYS 70 9.397 11.236 -2.388 567 HB3 LYS 70 HB2 LYS 70 11.076 11.168 -1.929 568 HG2 LYS 70 HG3 LYS 70 11.449 13.256 -3.233 569 HG3 LYS 70 HG2 LYS 70 9.698 13.328 -3.500 570 HD2 LYS 70 HD3 LYS 70 9.355 13.298 -1.048 571 HD3 LYS 70 HD2 LYS 70 11.099 13.317 -0.823 572 HE2 LYS 70 HE3 LYS 70 10.290 15.546 -0.515 573 HE3 LYS 70 HE2 LYS 70 11.144 15.488 -2.052 574 HZ1 LYS 70 HZ1 LYS 70 9.019 15.323 -3.179 575 HZ2 LYS 70 HZ2 LYS 70 9.030 16.717 -2.240 576 HZ3 LYS 70 HZ3 LYS 70 8.207 15.321 -1.717 577 H VAL 71 H VAL 71 12.691 9.020 -3.971 578 HA VAL 71 HA VAL 71 11.058 6.815 -2.989 579 HB VAL 71 HB VAL 71 12.899 5.319 -3.735 580 HG11 VAL 71 HG11 VAL 71 11.887 7.186 -5.875 581 HG12 VAL 71 HG12 VAL 71 11.057 5.759 -5.256 582 HG13 VAL 71 HG13 VAL 71 12.565 5.582 -6.156 583 HG21 VAL 71 HG21 VAL 71 14.768 6.892 -3.509 584 HG22 VAL 71 HG22 VAL 71 14.142 7.830 -4.867 585 HG23 VAL 71 HG23 VAL 71 14.721 6.186 -5.123 586 H HIS 72 H HIS 72 12.313 9.074 -1.600 587 HA HIS 72 HA HIS 72 13.585 7.614 0.584 588 HB2 HIS 72 HB3 HIS 72 14.561 10.248 -0.568 589 HB3 HIS 72 HB2 HIS 72 15.131 9.535 0.932 590 HD1 HIS 72 HD1 HIS 72 15.736 9.604 -2.654 591 HD2 HIS 72 HD2 HIS 72 16.594 7.043 0.498 592 HE1 HIS 72 HE1 HIS 72 17.589 8.118 -3.472 Start of MODEL 8 1 H GLY -1 H GLY -1 11.539 0.128 -1.360 2 HA2 GLY -1 HA2 GLY -1 11.257 0.223 -3.739 3 HA3 GLY -1 HA3 GLY -1 9.717 0.029 -2.914 4 H SER 0 H SER 0 8.534 1.746 -3.466 5 HA SER 0 HA SER 0 9.552 4.358 -2.783 6 HB2 SER 0 HB3 SER 0 8.303 3.699 -5.474 7 HB3 SER 0 HB2 SER 0 8.788 5.302 -4.932 8 HG SER 0 HG SER 0 10.905 3.806 -4.636 9 H MET 1 H MET 1 7.554 5.904 -3.092 10 HA MET 1 HA MET 1 5.362 4.732 -1.565 11 HB2 MET 1 HB3 MET 1 6.493 6.892 -0.976 12 HB3 MET 1 HB2 MET 1 5.855 7.581 -2.456 13 HG2 MET 1 HG3 MET 1 4.501 8.329 -0.704 14 HG3 MET 1 HG2 MET 1 3.565 7.125 -1.577 15 HE1 MET 1 HE1 MET 1 2.347 6.622 2.121 16 HE2 MET 1 HE2 MET 1 1.871 6.960 0.455 17 HE3 MET 1 HE3 MET 1 2.803 8.150 1.364 18 H SER 2 H SER 2 6.020 4.716 -4.634 19 HA SER 2 HA SER 2 5.038 4.719 -6.676 20 HB2 SER 2 HB3 SER 2 2.379 4.885 -5.199 21 HB3 SER 2 HB2 SER 2 2.596 4.437 -6.893 22 HG SER 2 HG SER 2 3.893 2.662 -6.102 23 H TYR 3 H TYR 3 5.945 6.497 -7.302 24 HA TYR 3 HA TYR 3 6.396 8.640 -7.722 25 HB2 TYR 3 HB3 TYR 3 3.394 8.901 -7.495 26 HB3 TYR 3 HB2 TYR 3 4.390 10.329 -7.661 27 HD1 TYR 3 HD1 TYR 3 5.666 10.690 -9.776 28 HD2 TYR 3 HD2 TYR 3 2.871 7.518 -9.335 29 HE1 TYR 3 HE1 TYR 3 5.519 10.488 -12.230 30 HE2 TYR 3 HE2 TYR 3 2.724 7.299 -11.766 31 HH TYR 3 HH TYR 3 3.085 8.732 -13.737 32 H ASP 4 H ASP 4 5.836 10.983 -6.698 33 HA ASP 4 HA ASP 4 5.216 10.982 -3.953 34 HB2 ASP 4 HB3 ASP 4 7.751 10.384 -4.016 35 HB3 ASP 4 HB2 ASP 4 7.983 11.984 -4.716 36 H TYR 5 H TYR 5 4.696 13.122 -3.451 37 HA TYR 5 HA TYR 5 4.727 14.896 -5.795 38 HB2 TYR 5 HB3 TYR 5 2.367 14.420 -3.966 39 HB3 TYR 5 HB2 TYR 5 2.395 15.469 -5.370 40 HD1 TYR 5 HD1 TYR 5 2.276 14.525 -7.624 41 HD2 TYR 5 HD2 TYR 5 2.242 12.035 -4.185 42 HE1 TYR 5 HE1 TYR 5 1.481 12.635 -8.998 43 HE2 TYR 5 HE2 TYR 5 1.460 10.159 -5.534 44 HH TYR 5 HH TYR 5 0.253 9.856 -7.515 45 H SER 6 H SER 6 6.262 14.737 -3.153 46 HA SER 6 HA SER 6 5.392 16.424 -1.209 47 HB2 SER 6 HB3 SER 6 7.433 15.086 -1.042 48 HB3 SER 6 HB2 SER 6 8.228 16.118 -2.225 49 HG SER 6 HG SER 6 7.674 16.545 0.452 50 H SER 7 H SER 7 7.176 17.441 -4.130 51 HA SER 7 HA SER 7 7.402 20.146 -3.563 52 HB2 SER 7 HB3 SER 7 7.092 18.847 -6.263 53 HB3 SER 7 HB2 SER 7 7.975 20.330 -5.884 54 HG SER 7 HG SER 7 9.571 19.211 -5.061 55 H LEU 8 H LEU 8 4.771 18.280 -4.927 56 HA LEU 8 HA LEU 8 3.247 20.581 -5.833 57 HB2 LEU 8 HB3 LEU 8 3.246 18.494 -7.107 58 HB3 LEU 8 HB2 LEU 8 2.656 17.653 -5.713 59 HG LEU 8 HG LEU 8 0.531 18.777 -5.797 60 HD11 LEU 8 HD11 LEU 8 1.610 20.280 -8.178 61 HD12 LEU 8 HD12 LEU 8 1.184 20.928 -6.584 62 HD13 LEU 8 HD13 LEU 8 -0.071 20.266 -7.624 63 HD21 LEU 8 HD21 LEU 8 0.777 16.773 -7.067 64 HD22 LEU 8 HD22 LEU 8 1.416 17.701 -8.434 65 HD23 LEU 8 HD23 LEU 8 -0.277 17.897 -7.944 66 H LEU 9 H LEU 9 3.036 18.077 -3.383 67 HA LEU 9 HA LEU 9 0.645 18.635 -2.353 68 HB2 LEU 9 HB3 LEU 9 2.364 16.794 -2.033 69 HB3 LEU 9 HB2 LEU 9 3.099 17.824 -0.838 70 HG LEU 9 HG LEU 9 1.842 16.027 -0.016 71 HD11 LEU 9 HD11 LEU 9 0.663 18.725 0.732 72 HD12 LEU 9 HD12 LEU 9 2.079 17.965 1.455 73 HD13 LEU 9 HD13 LEU 9 0.480 17.272 1.713 74 HD21 LEU 9 HD21 LEU 9 0.100 15.789 -1.610 75 HD22 LEU 9 HD22 LEU 9 -0.588 17.355 -1.174 76 HD23 LEU 9 HD23 LEU 9 -0.637 16.021 -0.026 77 H GLY 10 H GLY 10 3.836 20.029 -1.600 78 HA2 GLY 10 HA3 GLY 10 3.091 21.698 0.519 79 HA3 GLY 10 HA2 GLY 10 4.491 21.946 -0.524 80 H LYS 11 H LYS 11 3.045 22.228 -3.000 81 HA LYS 11 HA LYS 11 2.409 24.942 -2.838 82 HB2 LYS 11 HB3 LYS 11 3.607 23.943 -4.714 83 HB3 LYS 11 HB2 LYS 11 2.253 22.887 -5.036 84 HG2 LYS 11 HG3 LYS 11 2.344 24.706 -6.602 85 HG3 LYS 11 HG2 LYS 11 0.881 24.704 -5.594 86 HD2 LYS 11 HD3 LYS 11 1.691 26.988 -5.818 87 HD3 LYS 11 HD2 LYS 11 1.877 26.447 -4.158 88 HE2 LYS 11 HE3 LYS 11 4.281 25.813 -4.868 89 HE3 LYS 11 HE2 LYS 11 3.969 26.820 -6.268 90 HZ1 LYS 11 HZ1 LYS 11 5.016 28.102 -4.514 91 HZ2 LYS 11 HZ2 LYS 11 3.810 27.664 -3.449 92 HZ3 LYS 11 HZ3 LYS 11 3.441 28.668 -4.770 93 H ILE 12 H ILE 12 0.575 21.936 -3.192 94 HA ILE 12 HA ILE 12 -1.989 22.949 -3.692 95 HB ILE 12 HB ILE 12 -1.184 20.498 -2.079 96 HG12 ILE 12 HG13 ILE 12 -2.094 20.748 -4.956 97 HG13 ILE 12 HG12 ILE 12 -0.445 20.449 -4.424 98 HG21 ILE 12 HG21 ILE 12 -3.441 21.132 -1.473 99 HG22 ILE 12 HG22 ILE 12 -3.468 19.663 -2.448 100 HG23 ILE 12 HG23 ILE 12 -3.895 21.212 -3.175 101 HD11 ILE 12 HD11 ILE 12 -1.521 18.406 -5.207 102 HD12 ILE 12 HD12 ILE 12 -2.793 18.608 -4.005 103 HD13 ILE 12 HD13 ILE 12 -1.139 18.296 -3.489 104 H THR 13 H THR 13 -0.207 22.533 -0.764 105 HA THR 13 HA THR 13 -2.262 23.148 1.085 106 HB THR 13 HB THR 13 0.671 23.620 1.399 107 HG1 THR 13 HG1 THR 13 0.121 21.334 0.716 108 HG21 THR 13 HG21 THR 13 0.145 23.087 3.811 109 HG22 THR 13 HG22 THR 13 -1.572 23.057 3.333 110 HG23 THR 13 HG23 THR 13 -0.649 24.534 3.179 111 H GLU 14 H GLU 14 0.021 25.075 -0.764 112 HA GLU 14 HA GLU 14 -0.297 27.401 0.794 113 HB2 GLU 14 HB3 GLU 14 0.949 26.624 -1.661 114 HB3 GLU 14 HB2 GLU 14 0.968 28.369 -1.287 115 HG2 GLU 14 HG3 GLU 14 2.217 27.629 0.806 116 HG3 GLU 14 HG2 GLU 14 2.260 26.010 0.090 117 H LYS 15 H LYS 15 -1.739 26.077 -2.130 118 HA LYS 15 HA LYS 15 -2.843 28.605 -2.863 119 HB2 LYS 15 HB3 LYS 15 -2.044 26.222 -4.140 120 HB3 LYS 15 HB2 LYS 15 -3.778 26.383 -4.358 121 HG2 LYS 15 HG3 LYS 15 -2.719 27.468 -6.172 122 HG3 LYS 15 HG2 LYS 15 -3.392 28.689 -5.110 123 HD2 LYS 15 HD3 LYS 15 -1.098 28.755 -3.986 124 HD3 LYS 15 HD2 LYS 15 -0.538 27.879 -5.395 125 HE2 LYS 15 HE3 LYS 15 -1.374 29.545 -6.923 126 HE3 LYS 15 HE2 LYS 15 -2.065 30.428 -5.559 127 HZ1 LYS 15 HZ1 LYS 15 0.852 30.006 -5.946 128 HZ2 LYS 15 HZ2 LYS 15 0.094 31.019 -4.819 129 HZ3 LYS 15 HZ3 LYS 15 -0.027 31.341 -6.476 130 H CYS 16 H CYS 16 -3.849 25.320 -1.945 131 HA CYS 16 HA CYS 16 -6.545 26.241 -2.025 132 HB2 CYS 16 HB3 CYS 16 -5.231 23.564 -2.218 133 HB3 CYS 16 HB2 CYS 16 -6.955 23.876 -2.287 134 HG CYS 16 HG CYS 16 -6.426 25.698 -4.539 135 H GLY 17 H GLY 17 -4.101 24.380 -0.147 136 HA2 GLY 17 HA3 GLY 17 -4.469 24.862 2.343 137 HA3 GLY 17 HA2 GLY 17 -6.070 24.438 1.874 138 H THR 18 H THR 18 -6.381 22.481 0.743 139 HA THR 18 HA THR 18 -4.704 20.265 1.689 140 HB THR 18 HB THR 18 -6.714 19.052 2.459 141 HG1 THR 18 HG1 THR 18 -8.694 20.412 2.609 142 HG21 THR 18 HG21 THR 18 -7.330 20.489 4.410 143 HG22 THR 18 HG22 THR 18 -6.489 21.828 3.587 144 HG23 THR 18 HG23 THR 18 -5.583 20.425 4.120 145 H GLN 19 H GLN 19 -5.635 18.162 0.602 146 HA GLN 19 HA GLN 19 -5.788 18.611 -2.204 147 HB2 GLN 19 HB3 GLN 19 -6.145 16.081 -0.592 148 HB3 GLN 19 HB2 GLN 19 -6.182 16.117 -2.347 149 HG2 GLN 19 HG3 GLN 19 -3.960 15.528 -1.917 150 HG3 GLN 19 HG2 GLN 19 -4.017 17.292 -2.147 151 HE21 GLN 19 HE21 GLN 19 -2.974 15.779 1.465 152 HE22 GLN 19 HE22 GLN 19 -3.730 14.797 0.277 153 H TYR 20 H TYR 20 -7.919 18.307 0.221 154 HA TYR 20 HA TYR 20 -10.375 17.614 -1.083 155 HB2 TYR 20 HB3 TYR 20 -9.779 17.827 1.440 156 HB3 TYR 20 HB2 TYR 20 -10.135 19.519 1.222 157 HD1 TYR 20 HD1 TYR 20 -11.442 16.378 2.025 158 HD2 TYR 20 HD2 TYR 20 -12.500 20.081 0.265 159 HE1 TYR 20 HE1 TYR 20 -13.804 15.910 2.513 160 HE2 TYR 20 HE2 TYR 20 -14.889 19.631 0.751 161 HH TYR 20 HH TYR 20 -15.811 17.142 2.866 162 H ASN 21 H ASN 21 -9.022 20.669 -0.010 163 HA ASN 21 HA ASN 21 -10.764 22.492 -1.255 164 HB2 ASN 21 HB3 ASN 21 -7.876 22.716 -0.457 165 HB3 ASN 21 HB2 ASN 21 -8.833 24.078 -0.982 166 HD21 ASN 21 HD21 ASN 21 -9.023 24.519 2.533 167 HD22 ASN 21 HD22 ASN 21 -8.244 24.964 1.080 168 H PHE 22 H PHE 22 -7.779 21.045 -2.274 169 HA PHE 22 HA PHE 22 -7.108 22.266 -4.677 170 HB2 PHE 22 HB3 PHE 22 -5.905 20.478 -3.376 171 HB3 PHE 22 HB2 PHE 22 -7.048 19.344 -3.999 172 HD1 PHE 22 HD1 PHE 22 -4.913 21.968 -5.596 173 HD2 PHE 22 HD2 PHE 22 -6.169 17.916 -5.503 174 HE1 PHE 22 HE1 PHE 22 -3.420 21.455 -7.500 175 HE2 PHE 22 HE2 PHE 22 -4.696 17.401 -7.400 176 HZ PHE 22 HZ PHE 22 -3.317 19.177 -8.398 177 H ALA 23 H ALA 23 -9.020 19.427 -4.143 178 HA ALA 23 HA ALA 23 -10.040 18.812 -6.662 179 HB1 ALA 23 HB1 ALA 23 -11.846 17.673 -5.517 180 HB2 ALA 23 HB2 ALA 23 -11.545 18.617 -4.061 181 HB3 ALA 23 HB3 ALA 23 -10.348 17.452 -4.603 182 H ILE 24 H ILE 24 -11.393 21.059 -4.250 183 HA ILE 24 HA ILE 24 -13.785 21.730 -5.484 184 HB ILE 24 HB ILE 24 -12.022 23.489 -3.792 185 HG12 ILE 24 HG13 ILE 24 -12.390 21.333 -2.675 186 HG13 ILE 24 HG12 ILE 24 -13.242 22.633 -1.913 187 HG21 ILE 24 HG21 ILE 24 -13.841 24.728 -4.844 188 HG22 ILE 24 HG22 ILE 24 -14.120 24.575 -3.110 189 HG23 ILE 24 HG23 ILE 24 -15.009 23.551 -4.239 190 HD11 ILE 24 HD11 ILE 24 -15.326 21.891 -2.938 191 HD12 ILE 24 HD12 ILE 24 -14.555 20.621 -1.985 192 HD13 ILE 24 HD13 ILE 24 -14.452 20.581 -3.744 193 H ALA 25 H ALA 25 -10.621 23.263 -5.637 194 HA ALA 25 HA ALA 25 -11.366 25.421 -7.324 195 HB1 ALA 25 HB1 ALA 25 -8.621 24.258 -6.874 196 HB2 ALA 25 HB2 ALA 25 -9.392 25.479 -5.864 197 HB3 ALA 25 HB3 ALA 25 -8.986 25.850 -7.538 198 H MET 26 H MET 26 -10.277 22.204 -7.935 199 HA MET 26 HA MET 26 -9.809 22.659 -10.755 200 HB2 MET 26 HB3 MET 26 -9.816 20.160 -9.085 201 HB3 MET 26 HB2 MET 26 -9.444 20.172 -10.796 202 HG2 MET 26 HG3 MET 26 -7.537 21.662 -10.342 203 HG3 MET 26 HG2 MET 26 -7.920 21.596 -8.623 204 HE1 MET 26 HE1 MET 26 -8.134 18.650 -11.260 205 HE2 MET 26 HE2 MET 26 -6.501 17.994 -11.132 206 HE3 MET 26 HE3 MET 26 -6.759 19.620 -11.765 207 H GLY 27 H GLY 27 -12.362 21.526 -8.740 208 HA2 GLY 27 HA3 GLY 27 -14.628 21.435 -9.400 209 HA3 GLY 27 HA2 GLY 27 -14.105 21.291 -11.075 210 H LEU 28 H LEU 28 -12.736 19.455 -8.512 211 HA LEU 28 HA LEU 28 -13.772 16.946 -9.695 212 HB2 LEU 28 HB3 LEU 28 -11.293 17.518 -8.095 213 HB3 LEU 28 HB2 LEU 28 -11.830 15.932 -8.593 214 HG LEU 28 HG LEU 28 -10.942 18.144 -10.454 215 HD11 LEU 28 HD11 LEU 28 -9.026 16.660 -10.817 216 HD12 LEU 28 HD12 LEU 28 -9.687 15.556 -9.605 217 HD13 LEU 28 HD13 LEU 28 -9.137 17.162 -9.124 218 HD21 LEU 28 HD21 LEU 28 -12.626 16.700 -11.425 219 HD22 LEU 28 HD22 LEU 28 -11.686 15.299 -10.888 220 HD23 LEU 28 HD23 LEU 28 -11.027 16.377 -12.130 221 H SER 29 H SER 29 -13.969 15.238 -8.159 222 HA SER 29 HA SER 29 -14.980 16.131 -5.578 223 HB2 SER 29 HB3 SER 29 -14.955 13.429 -6.876 224 HB3 SER 29 HB2 SER 29 -15.882 13.867 -5.437 225 HG SER 29 HG SER 29 -16.365 15.538 -7.515 226 H GLU 30 H GLU 30 -13.761 15.591 -3.706 227 HA GLU 30 HA GLU 30 -11.044 15.414 -4.090 228 HB2 GLU 30 HB3 GLU 30 -10.780 14.945 -1.676 229 HB3 GLU 30 HB2 GLU 30 -11.681 16.379 -2.111 230 HG2 GLU 30 HG3 GLU 30 -12.461 15.258 -0.232 231 HG3 GLU 30 HG2 GLU 30 -13.759 15.320 -1.439 232 H ARG 31 H ARG 31 -13.159 12.748 -3.639 233 HA ARG 31 HA ARG 31 -11.200 10.910 -3.074 234 HB2 ARG 31 HB3 ARG 31 -13.950 10.823 -3.415 235 HB3 ARG 31 HB2 ARG 31 -13.338 9.724 -4.640 236 HG2 ARG 31 HG3 ARG 31 -13.827 8.513 -2.612 237 HG3 ARG 31 HG2 ARG 31 -12.083 8.519 -2.897 238 HD2 ARG 31 HD3 ARG 31 -11.789 10.312 -1.285 239 HD3 ARG 31 HD2 ARG 31 -13.531 10.442 -1.093 240 HE ARG 31 HE ARG 31 -12.658 7.861 -0.484 241 HH11 ARG 31 HH11 ARG 31 -12.456 11.183 0.712 242 HH12 ARG 31 HH12 ARG 31 -12.505 10.756 2.363 243 HH21 ARG 31 HH21 ARG 31 -12.673 7.260 1.838 244 HH22 ARG 31 HH22 ARG 31 -12.637 8.522 3.001 245 H THR 32 H THR 32 -12.349 12.194 -6.151 246 HA THR 32 HA THR 32 -11.300 10.179 -7.814 247 HB THR 32 HB THR 32 -11.912 13.076 -8.545 248 HG1 THR 32 HG1 THR 32 -14.035 12.133 -8.956 249 HG21 THR 32 HG21 THR 32 -10.856 11.667 -10.283 250 HG22 THR 32 HG22 THR 32 -12.531 12.044 -10.693 251 HG23 THR 32 HG23 THR 32 -12.112 10.454 -10.052 252 H VAL 33 H VAL 33 -10.228 13.359 -6.747 253 HA VAL 33 HA VAL 33 -7.815 13.491 -8.171 254 HB VAL 33 HB VAL 33 -7.842 14.645 -5.488 255 HG11 VAL 33 HG11 VAL 33 -6.199 15.315 -7.049 256 HG12 VAL 33 HG12 VAL 33 -7.331 16.683 -6.774 257 HG13 VAL 33 HG13 VAL 33 -7.476 15.679 -8.219 258 HG21 VAL 33 HG21 VAL 33 -9.428 16.399 -6.068 259 HG22 VAL 33 HG22 VAL 33 -10.048 14.770 -5.758 260 HG23 VAL 33 HG23 VAL 33 -9.973 15.375 -7.435 261 H SER 34 H SER 34 -8.795 12.295 -5.023 262 HA SER 34 HA SER 34 -6.329 11.865 -4.077 263 HB2 SER 34 HB3 SER 34 -8.891 10.459 -3.320 264 HB3 SER 34 HB2 SER 34 -7.391 10.286 -2.412 265 HG SER 34 HG SER 34 -8.801 12.700 -2.923 266 H LEU 35 H LEU 35 -8.527 9.636 -5.833 267 HA LEU 35 HA LEU 35 -6.929 7.336 -5.693 268 HB2 LEU 35 HB3 LEU 35 -8.781 8.167 -7.926 269 HB3 LEU 35 HB2 LEU 35 -8.167 6.549 -7.666 270 HG LEU 35 HG LEU 35 -10.041 8.054 -5.846 271 HD11 LEU 35 HD11 LEU 35 -10.515 5.695 -7.652 272 HD12 LEU 35 HD12 LEU 35 -11.108 7.336 -7.900 273 HD13 LEU 35 HD13 LEU 35 -11.688 6.388 -6.532 274 HD21 LEU 35 HD21 LEU 35 -8.981 5.234 -5.633 275 HD22 LEU 35 HD22 LEU 35 -10.236 5.936 -4.615 276 HD23 LEU 35 HD23 LEU 35 -8.596 6.576 -4.552 277 H LYS 36 H LYS 36 -6.917 10.009 -8.000 278 HA LYS 36 HA LYS 36 -5.100 8.919 -9.773 279 HB2 LYS 36 HB3 LYS 36 -6.140 11.623 -9.243 280 HB3 LYS 36 HB2 LYS 36 -4.886 11.357 -10.441 281 HG2 LYS 36 HG3 LYS 36 -6.257 10.189 -11.829 282 HG3 LYS 36 HG2 LYS 36 -7.303 9.645 -10.508 283 HD2 LYS 36 HD3 LYS 36 -8.068 11.731 -10.186 284 HD3 LYS 36 HD2 LYS 36 -7.097 12.476 -11.473 285 HE2 LYS 36 HE3 LYS 36 -9.193 10.310 -11.873 286 HE3 LYS 36 HE2 LYS 36 -9.462 12.024 -12.177 287 HZ1 LYS 36 HZ1 LYS 36 -7.325 10.496 -13.594 288 HZ2 LYS 36 HZ2 LYS 36 -7.979 12.030 -13.938 289 HZ3 LYS 36 HZ3 LYS 36 -8.907 10.661 -14.160 290 H LEU 37 H LEU 37 -4.808 11.001 -6.983 291 HA LEU 37 HA LEU 37 -2.063 11.680 -7.371 292 HB2 LEU 37 HB3 LEU 37 -4.062 12.696 -5.709 293 HB3 LEU 37 HB2 LEU 37 -3.331 11.593 -4.769 294 HG LEU 37 HG LEU 37 -1.305 13.135 -5.854 295 HD11 LEU 37 HD11 LEU 37 -1.754 15.085 -4.299 296 HD12 LEU 37 HD12 LEU 37 -3.324 14.366 -3.930 297 HD13 LEU 37 HD13 LEU 37 -2.977 14.939 -5.562 298 HD21 LEU 37 HD21 LEU 37 -0.565 13.128 -3.483 299 HD22 LEU 37 HD22 LEU 37 -0.927 11.522 -4.115 300 HD23 LEU 37 HD23 LEU 37 -2.083 12.336 -3.060 301 H ASN 38 H ASN 38 -3.934 9.459 -5.424 302 HA ASN 38 HA ASN 38 -2.020 9.337 -3.727 303 HB2 ASN 38 HB3 ASN 38 -4.353 8.791 -3.164 304 HB3 ASN 38 HB2 ASN 38 -4.158 7.248 -3.931 305 HD21 ASN 38 HD21 ASN 38 -2.656 5.617 -1.264 306 HD22 ASN 38 HD22 ASN 38 -3.228 5.556 -2.888 307 H ASP 39 H ASP 39 -3.074 6.972 -6.187 308 HA ASP 39 HA ASP 39 -0.574 5.649 -6.309 309 HB2 ASP 39 HB3 ASP 39 -1.053 3.507 -5.278 310 HB3 ASP 39 HB2 ASP 39 -1.244 4.806 -4.109 311 H LYS 40 H LYS 40 -4.009 5.795 -7.425 312 HA LYS 40 HA LYS 40 -3.584 3.275 -8.713 313 HB2 LYS 40 HB3 LYS 40 -6.089 4.862 -8.688 314 HB3 LYS 40 HB2 LYS 40 -5.797 3.174 -8.976 315 HG2 LYS 40 HG3 LYS 40 -5.002 2.856 -6.674 316 HG3 LYS 40 HG2 LYS 40 -5.476 4.511 -6.323 317 HD2 LYS 40 HD3 LYS 40 -7.794 3.939 -6.879 318 HD3 LYS 40 HD2 LYS 40 -7.288 2.273 -7.184 319 HE2 LYS 40 HE3 LYS 40 -7.106 3.775 -4.584 320 HE3 LYS 40 HE2 LYS 40 -8.156 2.407 -4.948 321 HZ1 LYS 40 HZ1 LYS 40 -5.167 2.330 -4.805 322 HZ2 LYS 40 HZ2 LYS 40 -6.149 1.027 -5.236 323 HZ3 LYS 40 HZ3 LYS 40 -6.253 1.671 -3.691 324 H VAL 41 H VAL 41 -4.327 6.653 -9.456 325 HA VAL 41 HA VAL 41 -4.320 5.733 -12.233 326 HB VAL 41 HB VAL 41 -6.084 7.976 -11.832 327 HG11 VAL 41 HG11 VAL 41 -7.570 6.556 -13.081 328 HG12 VAL 41 HG12 VAL 41 -6.486 5.237 -12.608 329 HG13 VAL 41 HG13 VAL 41 -5.889 6.479 -13.743 330 HG21 VAL 41 HG21 VAL 41 -7.926 6.881 -10.676 331 HG22 VAL 41 HG22 VAL 41 -6.527 6.956 -9.597 332 HG23 VAL 41 HG23 VAL 41 -6.938 5.447 -10.419 333 H THR 42 H THR 42 -4.662 8.112 -13.494 334 HA THR 42 HA THR 42 -2.757 9.977 -12.362 335 HB THR 42 HB THR 42 -2.132 10.287 -14.914 336 HG1 THR 42 HG1 THR 42 -2.332 7.544 -15.031 337 HG21 THR 42 HG21 THR 42 -0.226 8.730 -14.618 338 HG22 THR 42 HG22 THR 42 -1.042 8.021 -13.224 339 HG23 THR 42 HG23 THR 42 -0.510 9.700 -13.173 340 H TRP 43 H TRP 43 -2.939 12.105 -13.566 341 HA TRP 43 HA TRP 43 -5.745 12.761 -13.775 342 HB2 TRP 43 HB3 TRP 43 -3.265 14.480 -13.835 343 HB3 TRP 43 HB2 TRP 43 -4.901 15.104 -13.868 344 HD1 TRP 43 HD1 TRP 43 -6.296 14.929 -11.535 345 HE1 TRP 43 HE1 TRP 43 -5.479 14.741 -9.101 346 HE3 TRP 43 HE3 TRP 43 -1.477 13.489 -12.409 347 HZ2 TRP 43 HZ2 TRP 43 -3.098 14.057 -7.730 348 HZ3 TRP 43 HZ3 TRP 43 0.000 13.097 -10.495 349 HH2 TRP 43 HH2 TRP 43 -0.792 13.381 -8.205 350 H LYS 44 H LYS 44 -6.659 13.653 -15.548 351 HA LYS 44 HA LYS 44 -5.538 13.069 -18.146 352 HB2 LYS 44 HB3 LYS 44 -8.138 13.339 -17.420 353 HB3 LYS 44 HB2 LYS 44 -7.736 14.999 -17.707 354 HG2 LYS 44 HG3 LYS 44 -7.079 14.671 -19.950 355 HG3 LYS 44 HG2 LYS 44 -7.307 12.930 -19.812 356 HD2 LYS 44 HD3 LYS 44 -9.629 13.237 -19.428 357 HD3 LYS 44 HD2 LYS 44 -9.477 14.999 -19.514 358 HE2 LYS 44 HE3 LYS 44 -8.888 13.038 -21.750 359 HE3 LYS 44 HE2 LYS 44 -10.310 14.063 -21.642 360 HZ1 LYS 44 HZ1 LYS 44 -8.941 16.017 -21.933 361 HZ2 LYS 44 HZ2 LYS 44 -8.550 14.946 -23.149 362 HZ3 LYS 44 HZ3 LYS 44 -7.511 15.145 -21.878 363 H ASP 45 H ASP 45 -4.981 14.739 -19.656 364 HA ASP 45 HA ASP 45 -3.431 16.844 -18.721 365 HB2 ASP 45 HB3 ASP 45 -3.404 17.654 -21.036 366 HB3 ASP 45 HB2 ASP 45 -3.282 15.901 -21.029 367 H ASP 46 H ASP 46 -6.764 16.765 -19.682 368 HA ASP 46 HA ASP 46 -7.380 19.508 -19.418 369 HB2 ASP 46 HB3 ASP 46 -8.970 18.104 -20.513 370 HB3 ASP 46 HB2 ASP 46 -9.098 17.052 -19.106 371 H GLU 47 H GLU 47 -7.117 16.978 -17.049 372 HA GLU 47 HA GLU 47 -8.404 18.505 -14.970 373 HB2 GLU 47 HB3 GLU 47 -6.637 16.040 -14.721 374 HB3 GLU 47 HB2 GLU 47 -7.678 16.688 -13.464 375 HG2 GLU 47 HG3 GLU 47 -9.649 16.168 -14.899 376 HG3 GLU 47 HG2 GLU 47 -8.562 15.426 -16.068 377 H ILE 48 H ILE 48 -5.189 17.624 -15.976 378 HA ILE 48 HA ILE 48 -3.682 18.914 -14.032 379 HB ILE 48 HB ILE 48 -2.998 18.464 -16.960 380 HG12 ILE 48 HG13 ILE 48 -2.350 16.820 -14.501 381 HG13 ILE 48 HG12 ILE 48 -3.551 16.410 -15.710 382 HG21 ILE 48 HG21 ILE 48 -1.542 20.149 -15.973 383 HG22 ILE 48 HG22 ILE 48 -0.658 18.646 -16.256 384 HG23 ILE 48 HG23 ILE 48 -1.186 19.070 -14.625 385 HD11 ILE 48 HD11 ILE 48 -0.582 16.599 -16.158 386 HD12 ILE 48 HD12 ILE 48 -1.786 16.181 -17.383 387 HD13 ILE 48 HD13 ILE 48 -1.533 15.121 -15.997 388 H LEU 49 H LEU 49 -5.110 20.240 -17.087 389 HA LEU 49 HA LEU 49 -3.985 22.684 -17.214 390 HB2 LEU 49 HB3 LEU 49 -6.738 21.684 -17.777 391 HB3 LEU 49 HB2 LEU 49 -6.204 23.272 -18.216 392 HG LEU 49 HG LEU 49 -5.196 20.648 -19.285 393 HD11 LEU 49 HD11 LEU 49 -6.681 22.911 -20.600 394 HD12 LEU 49 HD12 LEU 49 -7.400 21.400 -20.089 395 HD13 LEU 49 HD13 LEU 49 -6.188 21.406 -21.380 396 HD21 LEU 49 HD21 LEU 49 -3.326 22.216 -19.151 397 HD22 LEU 49 HD22 LEU 49 -4.296 23.459 -19.938 398 HD23 LEU 49 HD23 LEU 49 -3.825 22.013 -20.831 399 H LYS 50 H LYS 50 -6.766 21.608 -15.283 400 HA LYS 50 HA LYS 50 -7.505 24.147 -14.437 401 HB2 LYS 50 HB3 LYS 50 -8.208 21.445 -13.723 402 HB3 LYS 50 HB2 LYS 50 -8.640 22.733 -12.589 403 HG2 LYS 50 HG3 LYS 50 -10.420 22.550 -13.993 404 HG3 LYS 50 HG2 LYS 50 -9.586 23.968 -14.546 405 HD2 LYS 50 HD3 LYS 50 -8.445 22.547 -16.288 406 HD3 LYS 50 HD2 LYS 50 -9.560 21.250 -15.862 407 HE2 LYS 50 HE3 LYS 50 -11.448 22.759 -16.434 408 HE3 LYS 50 HE2 LYS 50 -10.239 23.968 -16.866 409 HZ1 LYS 50 HZ1 LYS 50 -10.420 21.326 -18.269 410 HZ2 LYS 50 HZ2 LYS 50 -9.482 22.656 -18.673 411 HZ3 LYS 50 HZ3 LYS 50 -11.128 22.751 -18.782 412 H ALA 51 H ALA 51 -5.558 21.609 -13.003 413 HA ALA 51 HA ALA 51 -5.116 22.862 -10.508 414 HB1 ALA 51 HB1 ALA 51 -4.702 20.474 -10.873 415 HB2 ALA 51 HB2 ALA 51 -3.256 21.283 -10.264 416 HB3 ALA 51 HB3 ALA 51 -3.386 20.874 -11.976 417 H VAL 52 H VAL 52 -3.210 22.816 -13.494 418 HA VAL 52 HA VAL 52 -1.039 24.430 -12.722 419 HB VAL 52 HB VAL 52 -2.379 24.144 -15.439 420 HG11 VAL 52 HG11 VAL 52 0.373 25.247 -14.830 421 HG12 VAL 52 HG12 VAL 52 -1.008 26.186 -15.378 422 HG13 VAL 52 HG13 VAL 52 -0.306 24.956 -16.432 423 HG21 VAL 52 HG21 VAL 52 0.057 22.826 -14.280 424 HG22 VAL 52 HG22 VAL 52 -0.583 22.597 -15.910 425 HG23 VAL 52 HG23 VAL 52 -1.525 22.082 -14.510 426 H HIS 53 H HIS 53 -4.261 25.301 -13.634 427 HA HIS 53 HA HIS 53 -3.846 28.091 -14.081 428 HB2 HIS 53 HB3 HIS 53 -5.753 26.730 -14.922 429 HB3 HIS 53 HB2 HIS 53 -6.355 26.637 -13.291 430 HD1 HIS 53 HD1 HIS 53 -7.794 28.562 -12.428 431 HD2 HIS 53 HD2 HIS 53 -5.870 29.440 -16.002 432 HE1 HIS 53 HE1 HIS 53 -8.759 30.724 -13.191 433 H VAL 54 H VAL 54 -4.600 26.121 -11.356 434 HA VAL 54 HA VAL 54 -5.402 28.400 -9.710 435 HB VAL 54 HB VAL 54 -5.357 25.421 -9.144 436 HG11 VAL 54 HG11 VAL 54 -6.404 27.675 -7.410 437 HG12 VAL 54 HG12 VAL 54 -5.012 26.624 -7.087 438 HG13 VAL 54 HG13 VAL 54 -6.633 25.945 -7.110 439 HG21 VAL 54 HG21 VAL 54 -7.051 26.122 -10.764 440 HG22 VAL 54 HG22 VAL 54 -7.688 27.289 -9.600 441 HG23 VAL 54 HG23 VAL 54 -7.777 25.561 -9.263 442 H LEU 55 H LEU 55 -3.084 25.718 -9.636 443 HA LEU 55 HA LEU 55 -1.660 26.505 -7.401 444 HB2 LEU 55 HB3 LEU 55 -1.500 24.619 -9.669 445 HB3 LEU 55 HB2 LEU 55 -0.187 24.761 -8.568 446 HG LEU 55 HG LEU 55 -1.896 22.900 -8.314 447 HD11 LEU 55 HD11 LEU 55 -0.249 23.329 -6.571 448 HD12 LEU 55 HD12 LEU 55 -1.795 22.948 -5.816 449 HD13 LEU 55 HD13 LEU 55 -1.252 24.624 -5.909 450 HD21 LEU 55 HD21 LEU 55 -3.962 24.049 -8.424 451 HD22 LEU 55 HD22 LEU 55 -3.523 25.094 -7.078 452 HD23 LEU 55 HD23 LEU 55 -3.831 23.383 -6.793 453 H GLU 56 H GLU 56 -1.750 27.722 -10.516 454 HA GLU 56 HA GLU 56 -0.504 28.999 -11.815 455 HB2 GLU 56 HB3 GLU 56 0.811 29.800 -9.207 456 HB3 GLU 56 HB2 GLU 56 1.003 30.659 -10.727 457 HG2 GLU 56 HG3 GLU 56 -1.405 31.127 -10.750 458 HG3 GLU 56 HG2 GLU 56 -1.574 30.282 -9.216 459 H LEU 57 H LEU 57 0.223 26.949 -12.557 460 HA LEU 57 HA LEU 57 3.085 26.533 -12.102 461 HB2 LEU 57 HB3 LEU 57 1.034 24.641 -12.991 462 HB3 LEU 57 HB2 LEU 57 2.717 24.202 -12.788 463 HG LEU 57 HG LEU 57 0.724 24.913 -10.621 464 HD11 LEU 57 HD11 LEU 57 0.481 22.659 -11.463 465 HD12 LEU 57 HD12 LEU 57 1.129 22.645 -9.823 466 HD13 LEU 57 HD13 LEU 57 2.199 22.356 -11.194 467 HD21 LEU 57 HD21 LEU 57 3.671 24.302 -10.334 468 HD22 LEU 57 HD22 LEU 57 2.535 24.477 -9.000 469 HD23 LEU 57 HD23 LEU 57 2.898 25.856 -10.030 470 H ASN 58 H ASN 58 3.656 24.947 -14.280 471 HA ASN 58 HA ASN 58 2.794 26.429 -16.640 472 HB2 ASN 58 HB3 ASN 58 4.955 27.375 -15.708 473 HB3 ASN 58 HB2 ASN 58 5.678 25.787 -15.922 474 HD21 ASN 58 HD21 ASN 58 5.138 28.298 -19.023 475 HD22 ASN 58 HD22 ASN 58 4.500 28.597 -17.445 476 HA PRO 59 HA PRO 59 2.553 22.236 -18.447 477 HB2 PRO 59 HB3 PRO 59 4.101 23.465 -20.683 478 HB3 PRO 59 HB2 PRO 59 2.638 22.476 -20.747 479 HG2 PRO 59 HG3 PRO 59 2.500 25.095 -21.077 480 HG3 PRO 59 HG2 PRO 59 1.266 24.218 -20.136 481 HD2 PRO 59 HD3 PRO 59 3.478 25.971 -19.200 482 HD3 PRO 59 HD2 PRO 59 1.845 25.751 -18.524 483 H GLN 60 H GLN 60 5.530 24.033 -18.529 484 HA GLN 60 HA GLN 60 7.208 21.713 -18.887 485 HB2 GLN 60 HB3 GLN 60 7.870 24.570 -18.210 486 HB3 GLN 60 HB2 GLN 60 9.090 23.321 -18.420 487 HG2 GLN 60 HG3 GLN 60 7.091 24.142 -20.515 488 HG3 GLN 60 HG2 GLN 60 8.756 24.711 -20.434 489 HE21 GLN 60 HE21 GLN 60 10.182 21.814 -21.716 490 HE22 GLN 60 HE22 GLN 60 10.406 23.310 -20.892 491 H ASP 61 H ASP 61 5.602 23.002 -16.116 492 HA ASP 61 HA ASP 61 7.566 22.070 -14.280 493 HB2 ASP 61 HB3 ASP 61 5.225 23.809 -14.358 494 HB3 ASP 61 HB2 ASP 61 5.485 22.941 -12.873 495 H ILE 62 H ILE 62 5.108 20.841 -16.076 496 HA ILE 62 HA ILE 62 3.498 19.504 -14.278 497 HB ILE 62 HB ILE 62 4.185 18.644 -17.087 498 HG12 ILE 62 HG13 ILE 62 3.227 20.835 -17.122 499 HG13 ILE 62 HG12 ILE 62 1.963 19.686 -17.555 500 HG21 ILE 62 HG21 ILE 62 3.239 16.773 -15.850 501 HG22 ILE 62 HG22 ILE 62 2.077 17.385 -17.028 502 HG23 ILE 62 HG23 ILE 62 1.892 17.782 -15.322 503 HD11 ILE 62 HD11 ILE 62 2.312 21.015 -14.885 504 HD12 ILE 62 HD12 ILE 62 1.074 19.828 -15.288 505 HD13 ILE 62 HD13 ILE 62 1.103 21.389 -16.112 506 HA PRO 63 HA PRO 63 6.268 15.587 -14.367 507 HB2 PRO 63 HB3 PRO 63 8.841 15.709 -15.117 508 HB3 PRO 63 HB2 PRO 63 7.508 15.544 -16.273 509 HG2 PRO 63 HG3 PRO 63 9.018 18.009 -15.523 510 HG3 PRO 63 HG2 PRO 63 8.595 17.406 -17.135 511 HD2 PRO 63 HD3 PRO 63 7.201 19.303 -15.779 512 HD3 PRO 63 HD2 PRO 63 6.444 18.242 -17.002 513 H LYS 64 H LYS 64 7.181 18.594 -13.415 514 HA LYS 64 HA LYS 64 9.082 17.845 -11.350 515 HB2 LYS 64 HB3 LYS 64 7.678 20.490 -11.641 516 HB3 LYS 64 HB2 LYS 64 9.192 20.167 -10.820 517 HG2 LYS 64 HG3 LYS 64 10.190 19.650 -13.089 518 HG3 LYS 64 HG2 LYS 64 8.665 20.163 -13.775 519 HD2 LYS 64 HD3 LYS 64 8.873 22.348 -12.636 520 HD3 LYS 64 HD2 LYS 64 10.471 21.865 -12.078 521 HE2 LYS 64 HE3 LYS 64 11.255 21.707 -14.360 522 HE3 LYS 64 HE2 LYS 64 9.646 22.074 -14.971 523 HZ1 LYS 64 HZ1 LYS 64 10.970 24.047 -15.017 524 HZ2 LYS 64 HZ2 LYS 64 11.401 23.883 -13.412 525 HZ3 LYS 64 HZ3 LYS 64 9.814 24.253 -13.823 526 H TYR 65 H TYR 65 5.667 18.237 -11.716 527 HA TYR 65 HA TYR 65 5.352 18.234 -8.817 528 HB2 TYR 65 HB3 TYR 65 3.680 19.449 -10.973 529 HB3 TYR 65 HB2 TYR 65 3.076 19.179 -9.346 530 HD1 TYR 65 HD1 TYR 65 5.287 21.161 -11.430 531 HD2 TYR 65 HD2 TYR 65 4.005 20.396 -7.509 532 HE1 TYR 65 HE1 TYR 65 6.325 23.252 -10.727 533 HE2 TYR 65 HE2 TYR 65 5.041 22.522 -6.732 534 HH TYR 65 HH TYR 65 6.661 24.086 -7.384 535 H PHE 66 H PHE 66 3.449 17.292 -11.680 536 HA PHE 66 HA PHE 66 1.876 15.519 -10.084 537 HB2 PHE 66 HB3 PHE 66 1.902 15.958 -13.075 538 HB3 PHE 66 HB2 PHE 66 0.692 15.045 -12.185 539 HD1 PHE 66 HD1 PHE 66 -0.908 16.173 -10.744 540 HD2 PHE 66 HD2 PHE 66 1.936 18.366 -13.021 541 HE1 PHE 66 HE1 PHE 66 -2.189 18.233 -10.355 542 HE2 PHE 66 HE2 PHE 66 0.662 20.429 -12.636 543 HZ PHE 66 HZ PHE 66 -1.400 20.363 -11.295 544 H PHE 67 H PHE 67 4.690 15.207 -11.983 545 HA PHE 67 HA PHE 67 4.505 12.299 -11.632 546 HB2 PHE 67 HB3 PHE 67 5.799 13.612 -14.028 547 HB3 PHE 67 HB2 PHE 67 5.576 11.913 -13.751 548 HD1 PHE 67 HD1 PHE 67 3.437 10.847 -13.965 549 HD2 PHE 67 HD2 PHE 67 3.932 14.965 -14.724 550 HE1 PHE 67 HE1 PHE 67 1.251 10.867 -15.111 551 HE2 PHE 67 HE2 PHE 67 1.735 15.027 -15.893 552 HZ PHE 67 HZ PHE 67 0.400 12.967 -16.076 553 H ASN 68 H ASN 68 5.774 14.555 -10.048 554 HA ASN 68 HA ASN 68 8.338 14.898 -10.094 555 HB2 ASN 68 HB3 ASN 68 6.636 15.739 -8.569 556 HB3 ASN 68 HB2 ASN 68 6.578 14.179 -7.775 557 HD21 ASN 68 HD21 ASN 68 9.430 16.759 -7.095 558 HD22 ASN 68 HD22 ASN 68 8.258 17.045 -8.304 559 H ALA 69 H ALA 69 7.232 12.595 -7.849 560 HA ALA 69 HA ALA 69 8.134 10.669 -6.940 561 HB1 ALA 69 HB1 ALA 69 7.306 9.740 -9.093 562 HB2 ALA 69 HB2 ALA 69 8.730 8.886 -8.501 563 HB3 ALA 69 HB3 ALA 69 8.884 10.060 -9.805 564 H LYS 70 H LYS 70 9.795 12.980 -7.188 565 HA LYS 70 HA LYS 70 12.439 11.719 -7.386 566 HB2 LYS 70 HB3 LYS 70 11.994 13.165 -9.316 567 HB3 LYS 70 HB2 LYS 70 11.732 14.523 -8.238 568 HG2 LYS 70 HG3 LYS 70 14.019 14.512 -7.545 569 HG3 LYS 70 HG2 LYS 70 14.310 12.999 -8.400 570 HD2 LYS 70 HD3 LYS 70 13.521 15.597 -9.741 571 HD3 LYS 70 HD2 LYS 70 15.178 15.018 -9.596 572 HE2 LYS 70 HE3 LYS 70 12.926 13.608 -11.064 573 HE3 LYS 70 HE2 LYS 70 14.247 14.500 -11.803 574 HZ1 LYS 70 HZ1 LYS 70 15.799 12.892 -10.816 575 HZ2 LYS 70 HZ2 LYS 70 14.724 12.157 -11.864 576 HZ3 LYS 70 HZ3 LYS 70 14.522 11.991 -10.210 577 H VAL 71 H VAL 71 12.525 11.249 -5.356 578 HA VAL 71 HA VAL 71 12.837 13.494 -3.570 579 HB VAL 71 HB VAL 71 12.924 11.714 -1.728 580 HG11 VAL 71 HG11 VAL 71 10.411 11.953 -3.377 581 HG12 VAL 71 HG12 VAL 71 10.955 13.081 -2.136 582 HG13 VAL 71 HG13 VAL 71 10.485 11.442 -1.693 583 HG21 VAL 71 HG21 VAL 71 13.406 9.755 -3.138 584 HG22 VAL 71 HG22 VAL 71 11.861 9.956 -3.960 585 HG23 VAL 71 HG23 VAL 71 11.899 9.525 -2.250 586 H HIS 72 H HIS 72 14.695 14.246 -4.032 587 HA HIS 72 HA HIS 72 16.954 12.425 -3.748 588 HB2 HIS 72 HB3 HIS 72 18.317 13.756 -5.310 589 HB3 HIS 72 HB2 HIS 72 16.849 13.226 -6.100 590 HD1 HIS 72 HD1 HIS 72 18.959 15.961 -6.104 591 HD2 HIS 72 HD2 HIS 72 14.838 15.632 -5.783 592 HE1 HIS 72 HE1 HIS 72 18.062 18.200 -6.757 Start of MODEL 9 1 H GLY -1 H GLY -1 7.382 21.590 -1.101 2 HA2 GLY -1 HA2 GLY -1 9.237 23.085 -1.503 3 HA3 GLY -1 HA3 GLY -1 9.784 21.560 -0.807 4 H SER 0 H SER 0 11.265 22.335 -2.863 5 HA SER 0 HA SER 0 10.135 21.140 -5.282 6 HB2 SER 0 HB3 SER 0 12.649 22.792 -4.914 7 HB3 SER 0 HB2 SER 0 11.914 22.323 -6.451 8 HG SER 0 HG SER 0 10.570 23.866 -6.284 9 H MET 1 H MET 1 11.615 19.992 -2.725 10 HA MET 1 HA MET 1 13.665 18.430 -4.117 11 HB2 MET 1 HB3 MET 1 14.500 17.835 -1.883 12 HB3 MET 1 HB2 MET 1 14.471 19.570 -2.141 13 HG2 MET 1 HG3 MET 1 12.445 19.733 -0.801 14 HG3 MET 1 HG2 MET 1 12.439 17.988 -0.586 15 HE1 MET 1 HE1 MET 1 14.464 21.311 0.119 16 HE2 MET 1 HE2 MET 1 15.683 20.250 -0.598 17 HE3 MET 1 HE3 MET 1 15.788 20.692 1.103 18 H SER 2 H SER 2 13.757 16.220 -3.977 19 HA SER 2 HA SER 2 13.077 14.097 -3.920 20 HB2 SER 2 HB3 SER 2 11.307 14.993 -1.639 21 HB3 SER 2 HB2 SER 2 11.755 13.330 -2.018 22 HG SER 2 HG SER 2 13.127 15.248 -0.678 23 H TYR 3 H TYR 3 11.020 12.645 -3.877 24 HA TYR 3 HA TYR 3 8.910 13.936 -5.424 25 HB2 TYR 3 HB3 TYR 3 10.134 11.224 -5.747 26 HB3 TYR 3 HB2 TYR 3 8.554 11.618 -6.397 27 HD1 TYR 3 HD1 TYR 3 8.350 13.276 -8.177 28 HD2 TYR 3 HD2 TYR 3 12.129 11.954 -6.810 29 HE1 TYR 3 HE1 TYR 3 9.304 14.039 -10.251 30 HE2 TYR 3 HE2 TYR 3 13.158 12.733 -8.858 31 HH TYR 3 HH TYR 3 12.515 13.254 -11.206 32 H ASP 4 H ASP 4 7.752 14.297 -3.619 33 HA ASP 4 HA ASP 4 6.289 11.934 -2.633 34 HB2 ASP 4 HB3 ASP 4 7.997 12.783 -0.971 35 HB3 ASP 4 HB2 ASP 4 7.190 14.340 -1.009 36 H TYR 5 H TYR 5 5.826 13.713 -4.807 37 HA TYR 5 HA TYR 5 4.514 15.269 -5.789 38 HB2 TYR 5 HB3 TYR 5 2.671 14.663 -3.443 39 HB3 TYR 5 HB2 TYR 5 2.251 15.687 -4.812 40 HD1 TYR 5 HD1 TYR 5 2.376 12.323 -3.569 41 HD2 TYR 5 HD2 TYR 5 2.215 14.655 -7.116 42 HE1 TYR 5 HE1 TYR 5 1.555 10.368 -4.816 43 HE2 TYR 5 HE2 TYR 5 1.400 12.716 -8.372 44 HH TYR 5 HH TYR 5 0.179 10.057 -6.857 45 H SER 6 H SER 6 6.491 15.910 -3.884 46 HA SER 6 HA SER 6 6.225 17.628 -1.909 47 HB2 SER 6 HB3 SER 6 8.282 17.764 -4.069 48 HB3 SER 6 HB2 SER 6 8.495 18.081 -2.345 49 HG SER 6 HG SER 6 8.933 16.119 -2.176 50 H SER 7 H SER 7 6.597 18.585 -5.338 51 HA SER 7 HA SER 7 6.575 21.354 -4.660 52 HB2 SER 7 HB3 SER 7 7.945 20.391 -6.495 53 HB3 SER 7 HB2 SER 7 6.463 20.025 -7.373 54 HG SER 7 HG SER 7 6.887 21.920 -8.176 55 H LEU 8 H LEU 8 4.261 19.006 -5.464 56 HA LEU 8 HA LEU 8 2.293 20.889 -6.441 57 HB2 LEU 8 HB3 LEU 8 2.480 18.658 -7.440 58 HB3 LEU 8 HB2 LEU 8 2.129 17.952 -5.890 59 HG LEU 8 HG LEU 8 -0.126 18.747 -5.930 60 HD11 LEU 8 HD11 LEU 8 -1.019 19.994 -7.848 61 HD12 LEU 8 HD12 LEU 8 0.624 20.166 -8.496 62 HD13 LEU 8 HD13 LEU 8 0.190 20.895 -6.942 63 HD21 LEU 8 HD21 LEU 8 0.302 16.699 -7.060 64 HD22 LEU 8 HD22 LEU 8 0.784 17.588 -8.511 65 HD23 LEU 8 HD23 LEU 8 -0.911 17.610 -7.982 66 H LEU 9 H LEU 9 2.628 18.604 -3.721 67 HA LEU 9 HA LEU 9 0.278 19.126 -2.540 68 HB2 LEU 9 HB3 LEU 9 2.062 17.348 -2.288 69 HB3 LEU 9 HB2 LEU 9 2.875 18.450 -1.217 70 HG LEU 9 HG LEU 9 1.718 16.668 -0.202 71 HD11 LEU 9 HD11 LEU 9 2.089 18.698 1.128 72 HD12 LEU 9 HD12 LEU 9 0.547 17.993 1.605 73 HD13 LEU 9 HD13 LEU 9 0.581 19.394 0.534 74 HD21 LEU 9 HD21 LEU 9 -0.173 16.384 -1.632 75 HD22 LEU 9 HD22 LEU 9 -0.832 17.950 -1.160 76 HD23 LEU 9 HD23 LEU 9 -0.747 16.639 0.012 77 H GLY 10 H GLY 10 3.487 20.625 -2.080 78 HA2 GLY 10 HA3 GLY 10 2.813 22.400 -0.013 79 HA3 GLY 10 HA2 GLY 10 4.148 22.609 -1.149 80 H LYS 11 H LYS 11 2.663 22.720 -3.547 81 HA LYS 11 HA LYS 11 2.040 25.416 -3.698 82 HB2 LYS 11 HB3 LYS 11 2.885 23.758 -5.421 83 HB3 LYS 11 HB2 LYS 11 1.236 23.185 -5.526 84 HG2 LYS 11 HG3 LYS 11 1.576 24.626 -7.273 85 HG3 LYS 11 HG2 LYS 11 0.559 25.455 -6.074 86 HD2 LYS 11 HD3 LYS 11 2.149 27.064 -6.885 87 HD3 LYS 11 HD2 LYS 11 2.636 26.633 -5.258 88 HE2 LYS 11 HE3 LYS 11 3.854 25.466 -7.784 89 HE3 LYS 11 HE2 LYS 11 4.527 26.830 -6.914 90 HZ1 LYS 11 HZ1 LYS 11 4.766 25.261 -4.962 91 HZ2 LYS 11 HZ2 LYS 11 5.735 24.986 -6.266 92 HZ3 LYS 11 HZ3 LYS 11 4.440 23.966 -6.014 93 H ILE 12 H ILE 12 0.125 22.441 -3.648 94 HA ILE 12 HA ILE 12 -2.450 23.446 -3.899 95 HB ILE 12 HB ILE 12 -1.500 21.054 -2.289 96 HG12 ILE 12 HG13 ILE 12 -2.674 21.208 -5.075 97 HG13 ILE 12 HG12 ILE 12 -0.987 20.913 -4.685 98 HG21 ILE 12 HG21 ILE 12 -3.682 21.704 -1.487 99 HG22 ILE 12 HG22 ILE 12 -3.823 20.221 -2.435 100 HG23 ILE 12 HG23 ILE 12 -4.298 21.768 -3.136 101 HD11 ILE 12 HD11 ILE 12 -3.282 19.106 -3.952 102 HD12 ILE 12 HD12 ILE 12 -1.574 18.802 -3.627 103 HD13 ILE 12 HD13 ILE 12 -2.161 18.859 -5.290 104 H THR 13 H THR 13 -0.482 22.969 -1.046 105 HA THR 13 HA THR 13 -2.412 23.684 0.859 106 HB THR 13 HB THR 13 0.570 23.978 1.039 107 HG1 THR 13 HG1 THR 13 -0.057 21.794 0.495 108 HG21 THR 13 HG21 THR 13 0.142 23.629 3.491 109 HG22 THR 13 HG22 THR 13 -1.593 23.698 3.130 110 HG23 THR 13 HG23 THR 13 -0.584 25.102 2.845 111 H GLU 14 H GLU 14 0.085 25.568 -0.788 112 HA GLU 14 HA GLU 14 -0.509 27.861 0.723 113 HB2 GLU 14 HB3 GLU 14 1.129 27.295 -1.577 114 HB3 GLU 14 HB2 GLU 14 1.091 28.957 -0.932 115 HG2 GLU 14 HG3 GLU 14 1.797 27.797 1.253 116 HG3 GLU 14 HG2 GLU 14 2.140 26.394 0.247 117 H LYS 15 H LYS 15 -1.924 26.579 -2.162 118 HA LYS 15 HA LYS 15 -2.794 29.202 -2.930 119 HB2 LYS 15 HB3 LYS 15 -2.093 26.756 -4.177 120 HB3 LYS 15 HB2 LYS 15 -3.694 27.273 -4.657 121 HG2 LYS 15 HG3 LYS 15 -2.033 28.190 -6.218 122 HG3 LYS 15 HG2 LYS 15 -2.631 29.524 -5.230 123 HD2 LYS 15 HD3 LYS 15 -0.647 29.087 -3.700 124 HD3 LYS 15 HD2 LYS 15 -0.019 28.045 -4.971 125 HE2 LYS 15 HE3 LYS 15 -0.608 30.998 -5.164 126 HE3 LYS 15 HE2 LYS 15 0.970 30.221 -5.144 127 HZ1 LYS 15 HZ1 LYS 15 -1.081 29.934 -7.266 128 HZ2 LYS 15 HZ2 LYS 15 0.413 29.172 -7.278 129 HZ3 LYS 15 HZ3 LYS 15 0.327 30.853 -7.371 130 H CYS 16 H CYS 16 -3.963 25.942 -2.096 131 HA CYS 16 HA CYS 16 -6.648 26.968 -2.139 132 HB2 CYS 16 HB3 CYS 16 -5.458 24.230 -2.418 133 HB3 CYS 16 HB2 CYS 16 -7.168 24.605 -2.420 134 HG CYS 16 HG CYS 16 -6.418 26.488 -4.689 135 H GLY 17 H GLY 17 -4.267 24.927 -0.474 136 HA2 GLY 17 HA3 GLY 17 -4.343 25.375 2.052 137 HA3 GLY 17 HA2 GLY 17 -6.028 25.071 1.779 138 H THR 18 H THR 18 -6.482 23.103 0.560 139 HA THR 18 HA THR 18 -4.896 20.807 1.471 140 HB THR 18 HB THR 18 -7.013 19.771 2.277 141 HG1 THR 18 HG1 THR 18 -8.681 21.580 2.661 142 HG21 THR 18 HG21 THR 18 -5.581 20.888 3.906 143 HG22 THR 18 HG22 THR 18 -7.279 21.210 4.324 144 HG23 THR 18 HG23 THR 18 -6.305 22.426 3.472 145 H GLN 19 H GLN 19 -6.009 18.769 0.491 146 HA GLN 19 HA GLN 19 -6.254 19.093 -2.318 147 HB2 GLN 19 HB3 GLN 19 -6.936 16.668 -0.620 148 HB3 GLN 19 HB2 GLN 19 -6.803 16.678 -2.366 149 HG2 GLN 19 HG3 GLN 19 -4.753 15.778 -1.672 150 HG3 GLN 19 HG2 GLN 19 -4.485 17.496 -2.010 151 HE21 GLN 19 HE21 GLN 19 -4.037 16.114 1.773 152 HE22 GLN 19 HE22 GLN 19 -4.828 15.163 0.578 153 H TYR 20 H TYR 20 -8.278 18.783 0.320 154 HA TYR 20 HA TYR 20 -10.889 18.477 -0.676 155 HB2 TYR 20 HB3 TYR 20 -10.120 18.718 1.743 156 HB3 TYR 20 HB2 TYR 20 -10.020 20.417 1.442 157 HD1 TYR 20 HD1 TYR 20 -12.179 17.840 2.512 158 HD2 TYR 20 HD2 TYR 20 -12.151 21.634 0.649 159 HE1 TYR 20 HE1 TYR 20 -14.520 18.196 3.222 160 HE2 TYR 20 HE2 TYR 20 -14.486 22.020 1.344 161 HH TYR 20 HH TYR 20 -16.432 20.685 1.978 162 H ASN 21 H ASN 21 -9.216 21.475 0.082 163 HA ASN 21 HA ASN 21 -11.036 23.200 -1.196 164 HB2 ASN 21 HB3 ASN 21 -8.142 23.637 -0.547 165 HB3 ASN 21 HB2 ASN 21 -9.236 24.885 -1.086 166 HD21 ASN 21 HD21 ASN 21 -8.829 24.945 2.615 167 HD22 ASN 21 HD22 ASN 21 -7.829 25.087 1.237 168 H PHE 22 H PHE 22 -8.037 21.804 -2.268 169 HA PHE 22 HA PHE 22 -7.592 22.899 -4.779 170 HB2 PHE 22 HB3 PHE 22 -6.236 21.091 -3.630 171 HB3 PHE 22 HB2 PHE 22 -7.471 19.973 -4.091 172 HD1 PHE 22 HD1 PHE 22 -7.815 19.284 -6.408 173 HD2 PHE 22 HD2 PHE 22 -4.642 21.871 -5.319 174 HE1 PHE 22 HE1 PHE 22 -6.710 18.804 -8.552 175 HE2 PHE 22 HE2 PHE 22 -3.524 21.402 -7.468 176 HZ PHE 22 HZ PHE 22 -4.562 19.872 -9.086 177 H ALA 23 H ALA 23 -9.442 20.089 -3.937 178 HA ALA 23 HA ALA 23 -10.619 19.315 -6.251 179 HB1 ALA 23 HB1 ALA 23 -12.451 18.384 -4.889 180 HB2 ALA 23 HB2 ALA 23 -11.969 19.422 -3.550 181 HB3 ALA 23 HB3 ALA 23 -10.891 18.161 -4.095 182 H ILE 24 H ILE 24 -11.909 21.688 -3.896 183 HA ILE 24 HA ILE 24 -14.267 22.414 -5.110 184 HB ILE 24 HB ILE 24 -12.449 24.170 -3.474 185 HG12 ILE 24 HG13 ILE 24 -12.854 22.031 -2.299 186 HG13 ILE 24 HG12 ILE 24 -13.639 23.379 -1.547 187 HG21 ILE 24 HG21 ILE 24 -14.248 25.425 -4.518 188 HG22 ILE 24 HG22 ILE 24 -14.525 25.298 -2.779 189 HG23 ILE 24 HG23 ILE 24 -15.439 24.284 -3.893 190 HD11 ILE 24 HD11 ILE 24 -15.777 22.681 -2.475 191 HD12 ILE 24 HD12 ILE 24 -15.004 21.408 -1.524 192 HD13 ILE 24 HD13 ILE 24 -14.969 21.330 -3.289 193 H ALA 25 H ALA 25 -11.097 23.970 -5.265 194 HA ALA 25 HA ALA 25 -11.852 26.090 -6.972 195 HB1 ALA 25 HB1 ALA 25 -9.090 24.999 -6.456 196 HB2 ALA 25 HB2 ALA 25 -9.923 26.182 -5.450 197 HB3 ALA 25 HB3 ALA 25 -9.486 26.590 -7.110 198 H MET 26 H MET 26 -10.349 22.912 -7.634 199 HA MET 26 HA MET 26 -9.851 23.320 -10.348 200 HB2 MET 26 HB3 MET 26 -9.024 21.642 -8.572 201 HB3 MET 26 HB2 MET 26 -10.501 20.796 -8.966 202 HG2 MET 26 HG3 MET 26 -8.346 21.455 -10.937 203 HG3 MET 26 HG2 MET 26 -8.557 19.975 -9.987 204 HE1 MET 26 HE1 MET 26 -8.291 20.142 -13.201 205 HE2 MET 26 HE2 MET 26 -9.479 18.926 -13.688 206 HE3 MET 26 HE3 MET 26 -8.417 18.627 -12.311 207 H GLY 27 H GLY 27 -12.533 21.896 -8.498 208 HA2 GLY 27 HA3 GLY 27 -14.801 22.083 -9.351 209 HA3 GLY 27 HA2 GLY 27 -14.140 21.886 -10.976 210 H LEU 28 H LEU 28 -13.081 20.098 -8.219 211 HA LEU 28 HA LEU 28 -14.108 17.596 -9.384 212 HB2 LEU 28 HB3 LEU 28 -11.621 18.201 -7.812 213 HB3 LEU 28 HB2 LEU 28 -12.212 16.584 -8.097 214 HG LEU 28 HG LEU 28 -11.344 18.479 -10.285 215 HD11 LEU 28 HD11 LEU 28 -9.345 17.061 -10.368 216 HD12 LEU 28 HD12 LEU 28 -9.962 16.142 -8.988 217 HD13 LEU 28 HD13 LEU 28 -9.503 17.833 -8.783 218 HD21 LEU 28 HD21 LEU 28 -12.963 16.790 -10.968 219 HD22 LEU 28 HD22 LEU 28 -11.963 15.566 -10.178 220 HD23 LEU 28 HD23 LEU 28 -11.347 16.412 -11.606 221 H SER 29 H SER 29 -14.312 15.945 -7.723 222 HA SER 29 HA SER 29 -15.350 16.970 -5.208 223 HB2 SER 29 HB3 SER 29 -15.275 14.227 -6.402 224 HB3 SER 29 HB2 SER 29 -16.151 14.656 -4.928 225 HG SER 29 HG SER 29 -16.630 15.720 -7.526 226 H GLU 30 H GLU 30 -14.192 16.509 -3.298 227 HA GLU 30 HA GLU 30 -11.429 16.326 -3.507 228 HB2 GLU 30 HB3 GLU 30 -11.322 16.208 -1.122 229 HB3 GLU 30 HB2 GLU 30 -12.636 17.279 -1.560 230 HG2 GLU 30 HG3 GLU 30 -12.841 14.458 -0.605 231 HG3 GLU 30 HG2 GLU 30 -13.205 15.925 0.314 232 H ARG 31 H ARG 31 -13.723 13.839 -2.918 233 HA ARG 31 HA ARG 31 -12.305 11.559 -2.395 234 HB2 ARG 31 HB3 ARG 31 -14.752 11.966 -2.658 235 HB3 ARG 31 HB2 ARG 31 -14.519 11.845 -4.378 236 HG2 ARG 31 HG3 ARG 31 -15.353 9.780 -3.533 237 HG3 ARG 31 HG2 ARG 31 -13.701 9.548 -4.118 238 HD2 ARG 31 HD3 ARG 31 -12.856 9.562 -1.877 239 HD3 ARG 31 HD2 ARG 31 -14.434 10.036 -1.241 240 HE ARG 31 HE ARG 31 -14.425 7.592 -2.723 241 HH11 ARG 31 HH11 ARG 31 -13.944 9.030 0.467 242 HH12 ARG 31 HH12 ARG 31 -14.426 7.653 1.329 243 HH21 ARG 31 HH21 ARG 31 -15.097 5.679 -1.550 244 HH22 ARG 31 HH22 ARG 31 -15.084 5.700 0.154 245 H THR 32 H THR 32 -12.964 13.060 -5.522 246 HA THR 32 HA THR 32 -11.947 10.984 -7.147 247 HB THR 32 HB THR 32 -12.250 13.879 -7.928 248 HG1 THR 32 HG1 THR 32 -14.387 11.998 -7.830 249 HG21 THR 32 HG21 THR 32 -11.385 12.254 -9.590 250 HG22 THR 32 HG22 THR 32 -12.953 12.903 -10.051 251 HG23 THR 32 HG23 THR 32 -12.837 11.279 -9.368 252 H VAL 33 H VAL 33 -10.722 14.100 -6.011 253 HA VAL 33 HA VAL 33 -8.293 14.082 -7.422 254 HB VAL 33 HB VAL 33 -8.276 15.295 -4.767 255 HG11 VAL 33 HG11 VAL 33 -7.833 16.243 -7.510 256 HG12 VAL 33 HG12 VAL 33 -6.578 15.882 -6.281 257 HG13 VAL 33 HG13 VAL 33 -7.707 17.273 -6.098 258 HG21 VAL 33 HG21 VAL 33 -9.715 17.121 -5.396 259 HG22 VAL 33 HG22 VAL 33 -10.451 15.536 -5.078 260 HG23 VAL 33 HG23 VAL 33 -10.305 16.119 -6.763 261 H SER 34 H SER 34 -9.387 12.960 -4.276 262 HA SER 34 HA SER 34 -6.924 12.442 -3.311 263 HB2 SER 34 HB3 SER 34 -9.534 11.100 -2.550 264 HB3 SER 34 HB2 SER 34 -8.049 10.972 -1.608 265 HG SER 34 HG SER 34 -9.488 13.330 -2.235 266 H LEU 35 H LEU 35 -9.177 10.407 -5.163 267 HA LEU 35 HA LEU 35 -7.652 8.037 -5.073 268 HB2 LEU 35 HB3 LEU 35 -9.613 8.911 -7.197 269 HB3 LEU 35 HB2 LEU 35 -9.031 7.280 -6.952 270 HG LEU 35 HG LEU 35 -10.755 8.857 -5.050 271 HD11 LEU 35 HD11 LEU 35 -11.399 6.483 -6.789 272 HD12 LEU 35 HD12 LEU 35 -11.967 8.135 -7.019 273 HD13 LEU 35 HD13 LEU 35 -12.483 7.211 -5.606 274 HD21 LEU 35 HD21 LEU 35 -9.273 7.346 -3.822 275 HD22 LEU 35 HD22 LEU 35 -9.794 5.999 -4.836 276 HD23 LEU 35 HD23 LEU 35 -10.941 6.787 -3.758 277 H LYS 36 H LYS 36 -7.828 10.673 -7.474 278 HA LYS 36 HA LYS 36 -6.095 9.657 -9.351 279 HB2 LYS 36 HB3 LYS 36 -7.183 12.283 -8.689 280 HB3 LYS 36 HB2 LYS 36 -5.860 12.191 -9.844 281 HG2 LYS 36 HG3 LYS 36 -7.078 10.989 -11.346 282 HG3 LYS 36 HG2 LYS 36 -8.176 10.367 -10.103 283 HD2 LYS 36 HD3 LYS 36 -9.065 12.415 -9.792 284 HD3 LYS 36 HD2 LYS 36 -8.031 13.220 -10.996 285 HE2 LYS 36 HE3 LYS 36 -9.953 10.955 -11.550 286 HE3 LYS 36 HE2 LYS 36 -10.300 12.653 -11.874 287 HZ1 LYS 36 HZ1 LYS 36 -8.652 12.744 -13.494 288 HZ2 LYS 36 HZ2 LYS 36 -9.480 11.311 -13.823 289 HZ3 LYS 36 HZ3 LYS 36 -7.959 11.259 -13.094 290 H LEU 37 H LEU 37 -5.534 11.981 -6.743 291 HA LEU 37 HA LEU 37 -2.826 12.435 -7.481 292 HB2 LEU 37 HB3 LEU 37 -4.170 14.165 -6.553 293 HB3 LEU 37 HB2 LEU 37 -4.457 13.363 -5.070 294 HG LEU 37 HG LEU 37 -1.874 13.433 -4.928 295 HD11 LEU 37 HD11 LEU 37 -1.087 15.596 -5.814 296 HD12 LEU 37 HD12 LEU 37 -2.611 15.593 -6.748 297 HD13 LEU 37 HD13 LEU 37 -1.416 14.305 -6.985 298 HD21 LEU 37 HD21 LEU 37 -2.061 15.534 -3.657 299 HD22 LEU 37 HD22 LEU 37 -3.370 14.411 -3.289 300 HD23 LEU 37 HD23 LEU 37 -3.658 15.787 -4.356 301 H ASN 38 H ASN 38 -4.417 10.179 -5.426 302 HA ASN 38 HA ASN 38 -2.054 9.818 -3.948 303 HB2 ASN 38 HB3 ASN 38 -4.298 9.321 -2.943 304 HB3 ASN 38 HB2 ASN 38 -4.427 7.980 -4.040 305 HD21 ASN 38 HD21 ASN 38 -3.321 6.081 -1.291 306 HD22 ASN 38 HD22 ASN 38 -4.684 6.644 -2.169 307 H ASP 39 H ASP 39 -3.847 7.580 -6.165 308 HA ASP 39 HA ASP 39 -1.377 6.538 -7.209 309 HB2 ASP 39 HB3 ASP 39 -1.298 4.412 -6.145 310 HB3 ASP 39 HB2 ASP 39 -1.345 5.651 -4.899 311 H LYS 40 H LYS 40 -5.009 6.269 -7.094 312 HA LYS 40 HA LYS 40 -4.921 3.819 -8.527 313 HB2 LYS 40 HB3 LYS 40 -7.295 5.570 -8.083 314 HB3 LYS 40 HB2 LYS 40 -7.190 3.913 -8.521 315 HG2 LYS 40 HG3 LYS 40 -6.162 3.266 -6.402 316 HG3 LYS 40 HG2 LYS 40 -6.339 4.924 -5.834 317 HD2 LYS 40 HD3 LYS 40 -8.759 4.744 -6.026 318 HD3 LYS 40 HD2 LYS 40 -8.608 3.108 -6.664 319 HE2 LYS 40 HE3 LYS 40 -7.446 2.459 -4.561 320 HE3 LYS 40 HE2 LYS 40 -7.798 4.061 -3.923 321 HZ1 LYS 40 HZ1 LYS 40 -9.385 2.459 -3.152 322 HZ2 LYS 40 HZ2 LYS 40 -9.805 2.023 -4.720 323 HZ3 LYS 40 HZ3 LYS 40 -10.180 3.554 -4.145 324 H VAL 41 H VAL 41 -5.268 7.186 -9.208 325 HA VAL 41 HA VAL 41 -5.906 6.323 -11.905 326 HB VAL 41 HB VAL 41 -7.107 8.874 -11.261 327 HG11 VAL 41 HG11 VAL 41 -8.084 6.279 -11.948 328 HG12 VAL 41 HG12 VAL 41 -7.499 7.447 -13.184 329 HG13 VAL 41 HG13 VAL 41 -9.025 7.742 -12.252 330 HG21 VAL 41 HG21 VAL 41 -8.184 6.497 -9.779 331 HG22 VAL 41 HG22 VAL 41 -8.938 8.097 -9.895 332 HG23 VAL 41 HG23 VAL 41 -7.402 7.895 -9.030 333 H THR 42 H THR 42 -5.678 8.309 -13.343 334 HA THR 42 HA THR 42 -3.288 9.790 -12.567 335 HB THR 42 HB THR 42 -3.981 8.903 -15.375 336 HG1 THR 42 HG1 THR 42 -2.644 7.494 -13.299 337 HG21 THR 42 HG21 THR 42 -2.244 10.588 -15.147 338 HG22 THR 42 HG22 THR 42 -1.529 9.046 -15.655 339 HG23 THR 42 HG23 THR 42 -1.408 9.574 -13.968 340 H TRP 43 H TRP 43 -3.157 11.739 -14.271 341 HA TRP 43 HA TRP 43 -5.770 13.038 -14.328 342 HB2 TRP 43 HB3 TRP 43 -2.984 14.174 -14.524 343 HB3 TRP 43 HB2 TRP 43 -4.464 15.108 -14.559 344 HD1 TRP 43 HD1 TRP 43 -5.660 15.568 -12.232 345 HE1 TRP 43 HE1 TRP 43 -4.836 15.358 -9.807 346 HE3 TRP 43 HE3 TRP 43 -1.522 12.661 -13.001 347 HZ2 TRP 43 HZ2 TRP 43 -2.739 14.146 -8.404 348 HZ3 TRP 43 HZ3 TRP 43 -0.162 12.013 -11.057 349 HH2 TRP 43 HH2 TRP 43 -0.762 12.738 -8.806 350 H LYS 44 H LYS 44 -6.623 13.546 -16.230 351 HA LYS 44 HA LYS 44 -5.276 12.990 -18.711 352 HB2 LYS 44 HB3 LYS 44 -7.897 14.318 -18.005 353 HB3 LYS 44 HB2 LYS 44 -7.320 14.170 -19.644 354 HG2 LYS 44 HG3 LYS 44 -7.783 11.776 -17.887 355 HG3 LYS 44 HG2 LYS 44 -9.074 12.499 -18.843 356 HD2 LYS 44 HD3 LYS 44 -8.356 10.866 -20.307 357 HD3 LYS 44 HD2 LYS 44 -7.317 12.187 -20.799 358 HE2 LYS 44 HE3 LYS 44 -6.052 10.141 -20.642 359 HE3 LYS 44 HE2 LYS 44 -5.499 11.240 -19.392 360 HZ1 LYS 44 HZ1 LYS 44 -6.821 9.989 -17.769 361 HZ2 LYS 44 HZ2 LYS 44 -5.778 8.956 -18.596 362 HZ3 LYS 44 HZ3 LYS 44 -7.400 8.986 -18.986 363 H ASP 45 H ASP 45 -5.122 14.777 -20.342 364 HA ASP 45 HA ASP 45 -3.367 16.734 -19.356 365 HB2 ASP 45 HB3 ASP 45 -3.254 15.887 -21.660 366 HB3 ASP 45 HB2 ASP 45 -4.795 16.659 -22.018 367 H ASP 46 H ASP 46 -6.728 16.881 -20.237 368 HA ASP 46 HA ASP 46 -7.199 19.636 -19.970 369 HB2 ASP 46 HB3 ASP 46 -8.877 18.102 -20.893 370 HB3 ASP 46 HB2 ASP 46 -9.055 17.337 -19.318 371 H GLU 47 H GLU 47 -6.940 17.116 -17.584 372 HA GLU 47 HA GLU 47 -7.985 18.670 -15.423 373 HB2 GLU 47 HB3 GLU 47 -6.351 16.120 -15.384 374 HB3 GLU 47 HB2 GLU 47 -7.165 16.821 -13.991 375 HG2 GLU 47 HG3 GLU 47 -9.324 16.496 -15.091 376 HG3 GLU 47 HG2 GLU 47 -8.507 15.793 -16.484 377 H ILE 48 H ILE 48 -4.838 17.761 -16.630 378 HA ILE 48 HA ILE 48 -3.247 18.994 -14.684 379 HB ILE 48 HB ILE 48 -2.623 18.589 -17.633 380 HG12 ILE 48 HG13 ILE 48 -1.988 16.843 -15.236 381 HG13 ILE 48 HG12 ILE 48 -3.210 16.505 -16.451 382 HG21 ILE 48 HG21 ILE 48 -0.751 19.083 -15.308 383 HG22 ILE 48 HG22 ILE 48 -1.108 20.216 -16.608 384 HG23 ILE 48 HG23 ILE 48 -0.256 18.711 -16.959 385 HD11 ILE 48 HD11 ILE 48 -0.240 16.652 -16.922 386 HD12 ILE 48 HD12 ILE 48 -1.464 16.310 -18.147 387 HD13 ILE 48 HD13 ILE 48 -1.215 15.185 -16.812 388 H LEU 49 H LEU 49 -4.356 20.267 -17.902 389 HA LEU 49 HA LEU 49 -3.279 22.741 -17.907 390 HB2 LEU 49 HB3 LEU 49 -5.873 21.622 -18.839 391 HB3 LEU 49 HB2 LEU 49 -5.371 23.236 -19.204 392 HG LEU 49 HG LEU 49 -3.991 20.702 -20.079 393 HD11 LEU 49 HD11 LEU 49 -4.848 21.301 -22.285 394 HD12 LEU 49 HD12 LEU 49 -5.609 22.739 -21.598 395 HD13 LEU 49 HD13 LEU 49 -6.176 21.146 -21.126 396 HD21 LEU 49 HD21 LEU 49 -2.388 22.531 -19.784 397 HD22 LEU 49 HD22 LEU 49 -3.422 23.597 -20.727 398 HD23 LEU 49 HD23 LEU 49 -2.653 22.213 -21.499 399 H LYS 50 H LYS 50 -6.329 21.640 -16.568 400 HA LYS 50 HA LYS 50 -7.316 24.185 -15.905 401 HB2 LYS 50 HB3 LYS 50 -8.328 21.723 -16.215 402 HB3 LYS 50 HB2 LYS 50 -8.242 21.815 -14.479 403 HG2 LYS 50 HG3 LYS 50 -9.807 23.327 -14.276 404 HG3 LYS 50 HG2 LYS 50 -9.389 24.206 -15.745 405 HD2 LYS 50 HD3 LYS 50 -10.827 21.554 -15.631 406 HD3 LYS 50 HD2 LYS 50 -11.588 23.145 -15.829 407 HE2 LYS 50 HE3 LYS 50 -10.449 23.540 -17.863 408 HE3 LYS 50 HE2 LYS 50 -9.446 22.125 -17.625 409 HZ1 LYS 50 HZ1 LYS 50 -12.400 22.005 -18.014 410 HZ2 LYS 50 HZ2 LYS 50 -11.271 20.711 -18.140 411 HZ3 LYS 50 HZ3 LYS 50 -11.288 21.915 -19.270 412 H ALA 51 H ALA 51 -5.540 21.721 -14.098 413 HA ALA 51 HA ALA 51 -5.710 23.047 -11.588 414 HB1 ALA 51 HB1 ALA 51 -3.659 21.050 -12.562 415 HB2 ALA 51 HB2 ALA 51 -5.179 20.648 -11.764 416 HB3 ALA 51 HB3 ALA 51 -3.926 21.524 -10.883 417 H VAL 52 H VAL 52 -3.320 23.004 -14.188 418 HA VAL 52 HA VAL 52 -1.349 24.611 -13.035 419 HB VAL 52 HB VAL 52 -2.092 24.324 -15.976 420 HG11 VAL 52 HG11 VAL 52 0.166 25.117 -16.499 421 HG12 VAL 52 HG12 VAL 52 0.448 25.463 -14.795 422 HG13 VAL 52 HG13 VAL 52 -0.781 26.358 -15.680 423 HG21 VAL 52 HG21 VAL 52 0.060 22.971 -14.345 424 HG22 VAL 52 HG22 VAL 52 -0.208 22.765 -16.074 425 HG23 VAL 52 HG23 VAL 52 -1.432 22.233 -14.927 426 H HIS 53 H HIS 53 -4.361 25.486 -14.456 427 HA HIS 53 HA HIS 53 -3.740 28.298 -14.758 428 HB2 HIS 53 HB3 HIS 53 -5.313 26.891 -16.135 429 HB3 HIS 53 HB2 HIS 53 -6.422 27.003 -14.805 430 HD1 HIS 53 HD1 HIS 53 -8.121 28.789 -15.091 431 HD2 HIS 53 HD2 HIS 53 -4.494 29.835 -16.811 432 HE1 HIS 53 HE1 HIS 53 -8.449 31.095 -16.025 433 H VAL 54 H VAL 54 -5.029 26.272 -12.351 434 HA VAL 54 HA VAL 54 -6.329 28.509 -10.959 435 HB VAL 54 HB VAL 54 -6.285 25.549 -10.255 436 HG11 VAL 54 HG11 VAL 54 -7.961 26.089 -8.552 437 HG12 VAL 54 HG12 VAL 54 -7.777 27.815 -8.913 438 HG13 VAL 54 HG13 VAL 54 -6.427 26.896 -8.241 439 HG21 VAL 54 HG21 VAL 54 -7.658 26.040 -12.202 440 HG22 VAL 54 HG22 VAL 54 -8.515 27.292 -11.298 441 HG23 VAL 54 HG23 VAL 54 -8.670 25.601 -10.825 442 H LEU 55 H LEU 55 -4.099 25.867 -10.122 443 HA LEU 55 HA LEU 55 -3.178 26.935 -7.778 444 HB2 LEU 55 HB3 LEU 55 -2.546 24.831 -9.735 445 HB3 LEU 55 HB2 LEU 55 -1.444 25.166 -8.463 446 HG LEU 55 HG LEU 55 -2.992 23.292 -8.227 447 HD11 LEU 55 HD11 LEU 55 -1.863 24.196 -6.248 448 HD12 LEU 55 HD12 LEU 55 -3.503 23.731 -5.789 449 HD13 LEU 55 HD13 LEU 55 -3.113 25.428 -6.067 450 HD21 LEU 55 HD21 LEU 55 -5.057 24.171 -9.028 451 HD22 LEU 55 HD22 LEU 55 -5.094 25.383 -7.744 452 HD23 LEU 55 HD23 LEU 55 -5.287 23.677 -7.351 453 H GLU 56 H GLU 56 -2.441 27.567 -11.046 454 HA GLU 56 HA GLU 56 -0.843 28.550 -12.206 455 HB2 GLU 56 HB3 GLU 56 -0.177 29.892 -9.574 456 HB3 GLU 56 HB2 GLU 56 0.533 30.349 -11.114 457 HG2 GLU 56 HG3 GLU 56 -1.684 30.922 -11.970 458 HG3 GLU 56 HG2 GLU 56 -2.394 30.461 -10.421 459 H LEU 57 H LEU 57 0.077 26.693 -12.686 460 HA LEU 57 HA LEU 57 2.454 25.881 -11.151 461 HB2 LEU 57 HB3 LEU 57 0.905 24.365 -13.104 462 HB3 LEU 57 HB2 LEU 57 2.149 23.705 -12.086 463 HG LEU 57 HG LEU 57 -0.594 24.618 -11.154 464 HD11 LEU 57 HD11 LEU 57 -0.647 22.472 -12.273 465 HD12 LEU 57 HD12 LEU 57 -0.917 22.279 -10.540 466 HD13 LEU 57 HD13 LEU 57 0.653 21.880 -11.241 467 HD21 LEU 57 HD21 LEU 57 1.716 23.521 -9.560 468 HD22 LEU 57 HD22 LEU 57 0.084 23.763 -8.948 469 HD23 LEU 57 HD23 LEU 57 1.047 25.152 -9.461 470 H ASN 58 H ASN 58 4.102 24.841 -12.564 471 HA ASN 58 HA ASN 58 4.422 26.504 -14.968 472 HB2 ASN 58 HB3 ASN 58 5.961 27.075 -13.220 473 HB3 ASN 58 HB2 ASN 58 6.457 25.403 -13.024 474 HD21 ASN 58 HD21 ASN 58 8.053 27.788 -15.870 475 HD22 ASN 58 HD22 ASN 58 6.674 28.254 -14.943 476 HA PRO 59 HA PRO 59 4.424 22.777 -17.412 477 HB2 PRO 59 HB3 PRO 59 6.085 23.592 -19.453 478 HB3 PRO 59 HB2 PRO 59 4.375 24.019 -19.313 479 HG2 PRO 59 HG3 PRO 59 6.786 25.595 -18.500 480 HG3 PRO 59 HG2 PRO 59 5.336 26.139 -19.363 481 HD2 PRO 59 HD3 PRO 59 5.619 26.607 -16.753 482 HD3 PRO 59 HD2 PRO 59 4.038 26.149 -17.426 483 H GLN 60 H GLN 60 7.469 24.164 -16.344 484 HA GLN 60 HA GLN 60 9.032 21.855 -17.240 485 HB2 GLN 60 HB3 GLN 60 9.876 24.138 -15.457 486 HB3 GLN 60 HB2 GLN 60 10.928 23.030 -16.320 487 HG2 GLN 60 HG3 GLN 60 10.307 23.974 -18.418 488 HG3 GLN 60 HG2 GLN 60 9.054 24.955 -17.654 489 HE21 GLN 60 HE21 GLN 60 11.350 27.531 -17.678 490 HE22 GLN 60 HE22 GLN 60 9.876 26.878 -18.293 491 H ASP 61 H ASP 61 7.203 22.890 -14.633 492 HA ASP 61 HA ASP 61 8.640 21.303 -12.605 493 HB2 ASP 61 HB3 ASP 61 7.690 23.832 -12.487 494 HB3 ASP 61 HB2 ASP 61 6.240 22.933 -12.023 495 H ILE 62 H ILE 62 6.429 20.815 -14.908 496 HA ILE 62 HA ILE 62 4.247 19.626 -13.694 497 HB ILE 62 HB ILE 62 5.509 19.007 -16.358 498 HG12 ILE 62 HG13 ILE 62 4.534 21.223 -16.138 499 HG13 ILE 62 HG12 ILE 62 3.567 20.219 -17.215 500 HG21 ILE 62 HG21 ILE 62 2.877 17.937 -15.332 501 HG22 ILE 62 HG22 ILE 62 4.323 16.981 -15.652 502 HG23 ILE 62 HG23 ILE 62 3.484 17.784 -16.980 503 HD11 ILE 62 HD11 ILE 62 2.904 20.947 -14.362 504 HD12 ILE 62 HD12 ILE 62 1.959 19.866 -15.383 505 HD13 ILE 62 HD13 ILE 62 2.136 21.561 -15.825 506 HA PRO 63 HA PRO 63 6.527 15.377 -13.416 507 HB2 PRO 63 HB3 PRO 63 9.366 16.103 -13.111 508 HB3 PRO 63 HB2 PRO 63 8.638 14.844 -14.107 509 HG2 PRO 63 HG3 PRO 63 9.689 17.046 -15.218 510 HG3 PRO 63 HG2 PRO 63 8.218 16.300 -15.870 511 HD2 PRO 63 HD3 PRO 63 8.476 18.678 -14.045 512 HD3 PRO 63 HD2 PRO 63 7.480 18.490 -15.514 513 H LYS 64 H LYS 64 7.514 18.232 -11.979 514 HA LYS 64 HA LYS 64 8.492 17.244 -9.482 515 HB2 LYS 64 HB3 LYS 64 7.479 19.992 -10.124 516 HB3 LYS 64 HB2 LYS 64 8.600 19.544 -8.851 517 HG2 LYS 64 HG3 LYS 64 9.191 19.173 -11.775 518 HG3 LYS 64 HG2 LYS 64 9.572 20.637 -10.906 519 HD2 LYS 64 HD3 LYS 64 10.540 17.888 -10.284 520 HD3 LYS 64 HD2 LYS 64 11.478 19.106 -11.143 521 HE2 LYS 64 HE3 LYS 64 11.264 20.588 -9.126 522 HE3 LYS 64 HE2 LYS 64 10.539 19.232 -8.269 523 HZ1 LYS 64 HZ1 LYS 64 13.243 19.261 -9.454 524 HZ2 LYS 64 HZ2 LYS 64 12.539 17.975 -8.618 525 HZ3 LYS 64 HZ3 LYS 64 12.879 19.426 -7.812 526 H TYR 65 H TYR 65 5.464 18.103 -10.933 527 HA TYR 65 HA TYR 65 4.053 18.262 -8.426 528 HB2 TYR 65 HB3 TYR 65 3.103 18.685 -11.258 529 HB3 TYR 65 HB2 TYR 65 2.090 18.824 -9.842 530 HD1 TYR 65 HD1 TYR 65 3.431 20.427 -8.029 531 HD2 TYR 65 HD2 TYR 65 3.556 20.693 -12.233 532 HE1 TYR 65 HE1 TYR 65 3.997 22.853 -7.868 533 HE2 TYR 65 HE2 TYR 65 4.113 23.037 -12.120 534 HH TYR 65 HH TYR 65 5.171 24.542 -9.384 535 H PHE 66 H PHE 66 3.623 16.599 -11.555 536 HA PHE 66 HA PHE 66 1.668 14.854 -10.257 537 HB2 PHE 66 HB3 PHE 66 2.123 15.382 -13.189 538 HB3 PHE 66 HB2 PHE 66 0.827 14.406 -12.506 539 HD1 PHE 66 HD1 PHE 66 1.893 17.696 -13.425 540 HD2 PHE 66 HD2 PHE 66 -0.845 15.554 -10.980 541 HE1 PHE 66 HE1 PHE 66 0.505 19.715 -13.216 542 HE2 PHE 66 HE2 PHE 66 -2.239 17.566 -10.765 543 HZ PHE 66 HZ PHE 66 -1.567 19.651 -11.878 544 H PHE 67 H PHE 67 4.883 14.556 -11.038 545 HA PHE 67 HA PHE 67 4.524 11.727 -11.661 546 HB2 PHE 67 HB3 PHE 67 6.696 13.567 -12.616 547 HB3 PHE 67 HB2 PHE 67 6.809 11.846 -12.764 548 HD1 PHE 67 HD1 PHE 67 6.675 14.205 -14.934 549 HD2 PHE 67 HD2 PHE 67 3.866 11.318 -13.528 550 HE1 PHE 67 HE1 PHE 67 5.441 14.374 -17.040 551 HE2 PHE 67 HE2 PHE 67 2.645 11.482 -15.644 552 HZ PHE 67 HZ PHE 67 3.428 13.012 -17.405 553 H ASN 68 H ASN 68 4.600 11.042 -9.502 554 HA ASN 68 HA ASN 68 6.643 11.958 -7.870 555 HB2 ASN 68 HB3 ASN 68 4.445 11.710 -7.009 556 HB3 ASN 68 HB2 ASN 68 4.285 10.112 -7.710 557 HD21 ASN 68 HD21 ASN 68 5.788 8.513 -5.168 558 HD22 ASN 68 HD22 ASN 68 5.198 8.453 -6.767 559 H ALA 69 H ALA 69 8.325 11.348 -9.004 560 HA ALA 69 HA ALA 69 10.097 10.241 -9.651 561 HB1 ALA 69 HB1 ALA 69 10.853 8.300 -8.341 562 HB2 ALA 69 HB2 ALA 69 9.270 8.244 -7.528 563 HB3 ALA 69 HB3 ALA 69 10.331 9.664 -7.372 564 H LYS 70 H LYS 70 7.598 9.767 -10.834 565 HA LYS 70 HA LYS 70 8.369 7.510 -12.527 566 HB2 LYS 70 HB3 LYS 70 6.448 6.755 -11.129 567 HB3 LYS 70 HB2 LYS 70 5.563 8.191 -11.614 568 HG2 LYS 70 HG3 LYS 70 5.446 7.390 -13.896 569 HG3 LYS 70 HG2 LYS 70 6.432 5.989 -13.481 570 HD2 LYS 70 HD3 LYS 70 4.020 5.452 -13.599 571 HD3 LYS 70 HD2 LYS 70 4.694 5.157 -12.001 572 HE2 LYS 70 HE3 LYS 70 3.760 7.258 -11.199 573 HE3 LYS 70 HE2 LYS 70 3.149 7.627 -12.812 574 HZ1 LYS 70 HZ1 LYS 70 1.711 5.690 -12.646 575 HZ2 LYS 70 HZ2 LYS 70 1.435 6.746 -11.368 576 HZ3 LYS 70 HZ3 LYS 70 2.311 5.341 -11.107 577 H VAL 71 H VAL 71 9.497 8.942 -13.452 578 HA VAL 71 HA VAL 71 7.956 10.716 -15.160 579 HB VAL 71 HB VAL 71 10.931 10.875 -14.700 580 HG11 VAL 71 HG11 VAL 71 10.551 13.195 -15.292 581 HG12 VAL 71 HG12 VAL 71 8.807 12.804 -15.365 582 HG13 VAL 71 HG13 VAL 71 9.926 12.036 -16.501 583 HG21 VAL 71 HG21 VAL 71 9.920 10.965 -12.447 584 HG22 VAL 71 HG22 VAL 71 8.855 12.266 -12.988 585 HG23 VAL 71 HG23 VAL 71 10.597 12.522 -12.922 586 H HIS 72 H HIS 72 7.717 8.314 -15.878 587 HA HIS 72 HA HIS 72 7.974 6.698 -17.390 588 HB2 HIS 72 HB3 HIS 72 8.187 8.571 -19.039 589 HB3 HIS 72 HB2 HIS 72 9.921 8.593 -18.759 590 HD1 HIS 72 HD1 HIS 72 7.267 6.857 -20.667 591 HD2 HIS 72 HD2 HIS 72 11.325 6.351 -19.903 592 HE1 HIS 72 HE1 HIS 72 8.064 5.197 -22.339 Start of MODEL 10 1 H GLY -1 H GLY -1 5.584 6.366 -1.588 2 HA2 GLY -1 HA2 GLY -1 7.897 7.008 -1.648 3 HA3 GLY -1 HA3 GLY -1 6.895 8.141 -2.539 4 H SER 0 H SER 0 7.509 6.955 0.751 5 HA SER 0 HA SER 0 6.343 9.275 2.004 6 HB2 SER 0 HB3 SER 0 7.938 7.008 3.200 7 HB3 SER 0 HB2 SER 0 6.834 8.100 4.044 8 HG SER 0 HG SER 0 5.152 7.250 2.709 9 H MET 1 H MET 1 8.678 9.785 0.293 10 HA MET 1 HA MET 1 10.152 11.586 1.826 11 HB2 MET 1 HB3 MET 1 11.201 9.590 2.858 12 HB3 MET 1 HB2 MET 1 11.639 8.991 1.278 13 HG2 MET 1 HG3 MET 1 12.712 11.593 2.346 14 HG3 MET 1 HG2 MET 1 13.468 10.049 2.716 15 HE1 MET 1 HE1 MET 1 15.033 12.474 1.391 16 HE2 MET 1 HE2 MET 1 15.959 11.637 0.143 17 HE3 MET 1 HE3 MET 1 15.766 10.910 1.738 18 H SER 2 H SER 2 10.762 9.324 -0.727 19 HA SER 2 HA SER 2 12.092 11.382 -2.295 20 HB2 SER 2 HB3 SER 2 12.608 9.490 -3.814 21 HB3 SER 2 HB2 SER 2 13.186 9.254 -2.159 22 HG SER 2 HG SER 2 10.706 8.331 -3.081 23 H TYR 3 H TYR 3 10.535 12.728 -2.761 24 HA TYR 3 HA TYR 3 9.229 13.819 -4.319 25 HB2 TYR 3 HB3 TYR 3 11.447 12.843 -5.326 26 HB3 TYR 3 HB2 TYR 3 10.246 11.930 -6.247 27 HD1 TYR 3 HD1 TYR 3 11.254 15.304 -5.356 28 HD2 TYR 3 HD2 TYR 3 9.315 12.864 -8.187 29 HE1 TYR 3 HE1 TYR 3 11.140 17.248 -6.926 30 HE2 TYR 3 HE2 TYR 3 9.147 14.751 -9.763 31 HH TYR 3 HH TYR 3 9.183 17.141 -9.687 32 H ASP 4 H ASP 4 7.478 12.286 -3.254 33 HA ASP 4 HA ASP 4 6.233 10.495 -5.181 34 HB2 ASP 4 HB3 ASP 4 6.051 9.964 -2.789 35 HB3 ASP 4 HB2 ASP 4 5.204 11.468 -2.501 36 H TYR 5 H TYR 5 4.435 12.792 -3.415 37 HA TYR 5 HA TYR 5 4.027 14.469 -5.788 38 HB2 TYR 5 HB3 TYR 5 1.865 13.599 -3.827 39 HB3 TYR 5 HB2 TYR 5 1.659 14.836 -5.054 40 HD1 TYR 5 HD1 TYR 5 1.469 11.367 -4.297 41 HD2 TYR 5 HD2 TYR 5 1.830 14.116 -7.506 42 HE1 TYR 5 HE1 TYR 5 0.680 9.640 -5.851 43 HE2 TYR 5 HE2 TYR 5 1.052 12.386 -9.080 44 HH TYR 5 HH TYR 5 -0.259 9.388 -7.918 45 H SER 6 H SER 6 5.613 14.275 -3.278 46 HA SER 6 HA SER 6 4.834 15.802 -1.169 47 HB2 SER 6 HB3 SER 6 7.614 15.615 -2.312 48 HB3 SER 6 HB2 SER 6 7.155 15.807 -0.616 49 HG SER 6 HG SER 6 6.448 13.791 -0.529 50 H SER 7 H SER 7 6.526 16.894 -4.130 51 HA SER 7 HA SER 7 7.009 19.522 -3.565 52 HB2 SER 7 HB3 SER 7 6.081 18.444 -6.196 53 HB3 SER 7 HB2 SER 7 7.351 19.631 -5.878 54 HG SER 7 HG SER 7 8.716 18.085 -5.456 55 H LEU 8 H LEU 8 4.194 17.941 -4.947 56 HA LEU 8 HA LEU 8 2.690 20.317 -5.427 57 HB2 LEU 8 HB3 LEU 8 2.456 18.314 -6.779 58 HB3 LEU 8 HB2 LEU 8 1.945 17.426 -5.379 59 HG LEU 8 HG LEU 8 -0.108 18.669 -5.214 60 HD11 LEU 8 HD11 LEU 8 -0.754 20.293 -6.932 61 HD12 LEU 8 HD12 LEU 8 0.891 20.237 -7.595 62 HD13 LEU 8 HD13 LEU 8 0.603 20.821 -5.945 63 HD21 LEU 8 HD21 LEU 8 -0.074 16.733 -6.603 64 HD22 LEU 8 HD22 LEU 8 0.513 17.716 -7.960 65 HD23 LEU 8 HD23 LEU 8 -1.128 17.959 -7.330 66 H LEU 9 H LEU 9 2.529 17.678 -3.086 67 HA LEU 9 HA LEU 9 0.324 18.422 -1.791 68 HB2 LEU 9 HB3 LEU 9 2.825 17.074 -0.861 69 HB3 LEU 9 HB2 LEU 9 1.408 17.191 0.134 70 HG LEU 9 HG LEU 9 1.629 15.738 -2.501 71 HD11 LEU 9 HD11 LEU 9 1.326 13.721 -1.155 72 HD12 LEU 9 HD12 LEU 9 1.352 14.702 0.313 73 HD13 LEU 9 HD13 LEU 9 2.787 14.601 -0.708 74 HD21 LEU 9 HD21 LEU 9 -0.626 14.868 -1.970 75 HD22 LEU 9 HD22 LEU 9 -0.609 16.594 -2.280 76 HD23 LEU 9 HD23 LEU 9 -0.723 16.002 -0.621 77 H GLY 10 H GLY 10 3.603 19.654 -1.429 78 HA2 GLY 10 HA3 GLY 10 3.136 21.178 0.938 79 HA3 GLY 10 HA2 GLY 10 4.476 21.382 -0.187 80 H LYS 11 H LYS 11 2.958 21.900 -2.545 81 HA LYS 11 HA LYS 11 2.518 24.671 -2.267 82 HB2 LYS 11 HB3 LYS 11 3.559 23.665 -4.199 83 HB3 LYS 11 HB2 LYS 11 2.133 22.688 -4.495 84 HG2 LYS 11 HG3 LYS 11 2.243 24.483 -6.025 85 HG3 LYS 11 HG2 LYS 11 0.869 24.639 -4.918 86 HD2 LYS 11 HD3 LYS 11 1.815 26.851 -5.217 87 HD3 LYS 11 HD2 LYS 11 2.177 26.302 -3.600 88 HE2 LYS 11 HE3 LYS 11 4.162 26.000 -5.841 89 HE3 LYS 11 HE2 LYS 11 4.040 27.496 -4.936 90 HZ1 LYS 11 HZ1 LYS 11 5.753 26.192 -3.997 91 HZ2 LYS 11 HZ2 LYS 11 4.840 24.815 -3.946 92 HZ3 LYS 11 HZ3 LYS 11 4.488 26.069 -2.876 93 H ILE 12 H ILE 12 0.501 21.806 -2.423 94 HA ILE 12 HA ILE 12 -1.975 23.001 -2.910 95 HB ILE 12 HB ILE 12 -1.348 20.534 -1.254 96 HG12 ILE 12 HG13 ILE 12 -2.302 20.833 -4.112 97 HG13 ILE 12 HG12 ILE 12 -0.689 20.347 -3.603 98 HG21 ILE 12 HG21 ILE 12 -4.016 21.474 -2.296 99 HG22 ILE 12 HG22 ILE 12 -3.522 21.394 -0.606 100 HG23 ILE 12 HG23 ILE 12 -3.708 19.910 -1.542 101 HD11 ILE 12 HD11 ILE 12 -3.237 18.810 -3.130 102 HD12 ILE 12 HD12 ILE 12 -1.635 18.320 -2.593 103 HD13 ILE 12 HD13 ILE 12 -1.992 18.422 -4.319 104 H THR 13 H THR 13 -0.233 22.496 0.135 105 HA THR 13 HA THR 13 -2.195 23.416 1.892 106 HB THR 13 HB THR 13 0.724 23.905 2.212 107 HG1 THR 13 HG1 THR 13 1.013 21.770 2.655 108 HG21 THR 13 HG21 THR 13 -1.505 23.107 4.098 109 HG22 THR 13 HG22 THR 13 -0.764 24.687 3.985 110 HG23 THR 13 HG23 THR 13 0.179 23.313 4.595 111 H GLU 14 H GLU 14 0.242 24.987 0.001 112 HA GLU 14 HA GLU 14 0.150 27.492 1.269 113 HB2 GLU 14 HB3 GLU 14 1.170 26.452 -1.212 114 HB3 GLU 14 HB2 GLU 14 1.512 28.157 -0.794 115 HG2 GLU 14 HG3 GLU 14 2.653 27.182 1.242 116 HG3 GLU 14 HG2 GLU 14 2.360 25.587 0.553 117 H LYS 15 H LYS 15 -1.591 26.110 -1.515 118 HA LYS 15 HA LYS 15 -2.544 28.717 -2.191 119 HB2 LYS 15 HB3 LYS 15 -1.867 26.288 -3.466 120 HB3 LYS 15 HB2 LYS 15 -3.509 26.776 -3.867 121 HG2 LYS 15 HG3 LYS 15 -1.952 27.734 -5.478 122 HG3 LYS 15 HG2 LYS 15 -2.550 29.006 -4.414 123 HD2 LYS 15 HD3 LYS 15 -0.526 28.799 -3.045 124 HD3 LYS 15 HD2 LYS 15 0.088 27.596 -4.179 125 HE2 LYS 15 HE3 LYS 15 1.028 29.727 -4.742 126 HE3 LYS 15 HE2 LYS 15 -0.135 29.183 -5.962 127 HZ1 LYS 15 HZ1 LYS 15 -1.808 30.635 -4.943 128 HZ2 LYS 15 HZ2 LYS 15 -0.531 31.508 -5.542 129 HZ3 LYS 15 HZ3 LYS 15 -0.665 31.233 -3.859 130 H CYS 16 H CYS 16 -3.672 25.441 -1.364 131 HA CYS 16 HA CYS 16 -6.358 26.402 -1.548 132 HB2 CYS 16 HB3 CYS 16 -5.121 23.670 -1.464 133 HB3 CYS 16 HB2 CYS 16 -6.816 24.040 -1.703 134 HG CYS 16 HG CYS 16 -6.090 25.608 -4.054 135 H GLY 17 H GLY 17 -3.932 24.820 0.481 136 HA2 GLY 17 HA3 GLY 17 -4.314 25.389 2.944 137 HA3 GLY 17 HA2 GLY 17 -5.917 24.930 2.508 138 H THR 18 H THR 18 -6.226 22.883 1.532 139 HA THR 18 HA THR 18 -4.509 20.767 2.599 140 HB THR 18 HB THR 18 -6.391 19.607 3.603 141 HG1 THR 18 HG1 THR 18 -8.354 21.202 3.712 142 HG21 THR 18 HG21 THR 18 -6.250 22.495 4.396 143 HG22 THR 18 HG22 THR 18 -5.293 21.182 5.078 144 HG23 THR 18 HG23 THR 18 -7.042 21.265 5.384 145 H GLN 19 H GLN 19 -5.612 18.559 1.857 146 HA GLN 19 HA GLN 19 -5.607 18.662 -0.989 147 HB2 GLN 19 HB3 GLN 19 -6.121 16.369 0.911 148 HB3 GLN 19 HB2 GLN 19 -5.898 16.211 -0.824 149 HG2 GLN 19 HG3 GLN 19 -3.637 17.049 -0.648 150 HG3 GLN 19 HG2 GLN 19 -3.846 17.318 1.081 151 HE21 GLN 19 HE21 GLN 19 -3.340 13.988 1.970 152 HE22 GLN 19 HE22 GLN 19 -3.872 15.561 2.451 153 H TYR 20 H TYR 20 -8.010 18.612 1.465 154 HA TYR 20 HA TYR 20 -10.229 17.812 -0.142 155 HB2 TYR 20 HB3 TYR 20 -10.166 17.936 2.384 156 HB3 TYR 20 HB2 TYR 20 -10.201 19.662 2.218 157 HD1 TYR 20 HD1 TYR 20 -12.190 16.936 0.592 158 HD2 TYR 20 HD2 TYR 20 -12.214 20.600 2.744 159 HE1 TYR 20 HE1 TYR 20 -14.640 16.996 0.452 160 HE2 TYR 20 HE2 TYR 20 -14.669 20.655 2.621 161 HH TYR 20 HH TYR 20 -16.435 19.773 1.251 162 H ASN 21 H ASN 21 -9.101 20.845 1.054 163 HA ASN 21 HA ASN 21 -10.669 22.688 -0.278 164 HB2 ASN 21 HB3 ASN 21 -7.780 22.803 0.461 165 HB3 ASN 21 HB2 ASN 21 -8.644 24.192 -0.140 166 HD21 ASN 21 HD21 ASN 21 -8.843 24.955 3.288 167 HD22 ASN 21 HD22 ASN 21 -8.064 25.229 1.793 168 H PHE 22 H PHE 22 -7.741 21.098 -1.367 169 HA PHE 22 HA PHE 22 -7.133 22.265 -3.814 170 HB2 PHE 22 HB3 PHE 22 -5.899 20.437 -2.618 171 HB3 PHE 22 HB2 PHE 22 -7.130 19.337 -3.117 172 HD1 PHE 22 HD1 PHE 22 -4.696 21.705 -4.664 173 HD2 PHE 22 HD2 PHE 22 -6.858 18.057 -4.990 174 HE1 PHE 22 HE1 PHE 22 -3.452 21.150 -6.718 175 HE2 PHE 22 HE2 PHE 22 -5.627 17.501 -7.043 176 HZ PHE 22 HZ PHE 22 -3.918 19.050 -7.908 177 H ALA 23 H ALA 23 -9.064 19.429 -3.258 178 HA ALA 23 HA ALA 23 -10.209 18.996 -5.781 179 HB1 ALA 23 HB1 ALA 23 -10.397 17.407 -3.884 180 HB2 ALA 23 HB2 ALA 23 -11.959 17.740 -4.626 181 HB3 ALA 23 HB3 ALA 23 -11.527 18.507 -3.097 182 H ILE 24 H ILE 24 -11.400 20.992 -3.063 183 HA ILE 24 HA ILE 24 -13.814 21.853 -4.094 184 HB ILE 24 HB ILE 24 -11.899 23.398 -2.359 185 HG12 ILE 24 HG13 ILE 24 -12.355 21.163 -1.434 186 HG13 ILE 24 HG12 ILE 24 -13.040 22.439 -0.485 187 HG21 ILE 24 HG21 ILE 24 -13.906 24.528 -1.496 188 HG22 ILE 24 HG22 ILE 24 -14.890 23.660 -2.674 189 HG23 ILE 24 HG23 ILE 24 -13.676 24.815 -3.222 190 HD11 ILE 24 HD11 ILE 24 -14.523 20.657 -2.394 191 HD12 ILE 24 HD12 ILE 24 -15.243 21.948 -1.422 192 HD13 ILE 24 HD13 ILE 24 -14.514 20.543 -0.632 193 H ALA 25 H ALA 25 -10.637 23.441 -4.211 194 HA ALA 25 HA ALA 25 -11.417 25.728 -5.658 195 HB1 ALA 25 HB1 ALA 25 -8.690 24.471 -5.467 196 HB2 ALA 25 HB2 ALA 25 -9.390 25.615 -4.319 197 HB3 ALA 25 HB3 ALA 25 -9.041 26.124 -5.970 198 H MET 26 H MET 26 -10.104 22.646 -6.694 199 HA MET 26 HA MET 26 -9.909 23.409 -9.437 200 HB2 MET 26 HB3 MET 26 -9.799 20.776 -8.041 201 HB3 MET 26 HB2 MET 26 -9.753 20.837 -9.781 202 HG2 MET 26 HG3 MET 26 -7.742 22.375 -9.503 203 HG3 MET 26 HG2 MET 26 -7.770 21.928 -7.800 204 HE1 MET 26 HE1 MET 26 -7.015 18.955 -11.266 205 HE2 MET 26 HE2 MET 26 -7.190 20.692 -11.492 206 HE3 MET 26 HE3 MET 26 -8.581 19.722 -11.014 207 H GLY 27 H GLY 27 -12.457 22.322 -7.459 208 HA2 GLY 27 HA3 GLY 27 -14.708 22.165 -7.958 209 HA3 GLY 27 HA2 GLY 27 -14.319 22.436 -9.657 210 H LEU 28 H LEU 28 -13.194 20.029 -7.349 211 HA LEU 28 HA LEU 28 -14.129 17.878 -9.143 212 HB2 LEU 28 HB3 LEU 28 -11.667 17.980 -7.431 213 HB3 LEU 28 HB2 LEU 28 -12.201 16.632 -8.403 214 HG LEU 28 HG LEU 28 -11.229 19.289 -9.461 215 HD11 LEU 28 HD11 LEU 28 -9.348 17.897 -10.263 216 HD12 LEU 28 HD12 LEU 28 -10.068 16.534 -9.383 217 HD13 LEU 28 HD13 LEU 28 -9.477 17.937 -8.496 218 HD21 LEU 28 HD21 LEU 28 -12.909 18.265 -10.887 219 HD22 LEU 28 HD22 LEU 28 -11.980 16.755 -10.805 220 HD23 LEU 28 HD23 LEU 28 -11.286 18.169 -11.614 221 H SER 29 H SER 29 -14.373 15.894 -8.029 222 HA SER 29 HA SER 29 -15.677 16.252 -5.457 223 HB2 SER 29 HB3 SER 29 -15.392 13.812 -7.168 224 HB3 SER 29 HB2 SER 29 -16.565 14.039 -5.866 225 HG SER 29 HG SER 29 -17.457 14.373 -7.967 226 H GLU 30 H GLU 30 -14.972 15.041 -3.559 227 HA GLU 30 HA GLU 30 -12.231 15.058 -3.068 228 HB2 GLU 30 HB3 GLU 30 -13.930 14.982 -1.247 229 HB3 GLU 30 HB2 GLU 30 -14.280 13.312 -1.653 230 HG2 GLU 30 HG3 GLU 30 -11.715 12.976 -1.267 231 HG3 GLU 30 HG2 GLU 30 -11.867 14.466 -0.348 232 H ARG 31 H ARG 31 -14.325 12.376 -3.818 233 HA ARG 31 HA ARG 31 -12.450 10.334 -3.583 234 HB2 ARG 31 HB3 ARG 31 -14.969 10.185 -3.684 235 HB3 ARG 31 HB2 ARG 31 -14.804 10.297 -5.414 236 HG2 ARG 31 HG3 ARG 31 -15.008 7.952 -4.706 237 HG3 ARG 31 HG2 ARG 31 -13.475 8.283 -5.524 238 HD2 ARG 31 HD3 ARG 31 -13.194 6.854 -3.543 239 HD3 ARG 31 HD2 ARG 31 -12.316 8.363 -3.367 240 HE ARG 31 HE ARG 31 -14.898 7.730 -2.131 241 HH11 ARG 31 HH11 ARG 31 -11.695 9.356 -1.896 242 HH12 ARG 31 HH12 ARG 31 -12.141 10.144 -0.438 243 HH21 ARG 31 HH21 ARG 31 -15.298 8.796 -0.054 244 HH22 ARG 31 HH22 ARG 31 -14.072 9.788 0.600 245 H THR 32 H THR 32 -13.557 12.165 -6.310 246 HA THR 32 HA THR 32 -12.281 10.685 -8.336 247 HB THR 32 HB THR 32 -12.981 13.640 -8.494 248 HG1 THR 32 HG1 THR 32 -15.000 12.156 -9.288 249 HG21 THR 32 HG21 THR 32 -11.861 12.603 -10.451 250 HG22 THR 32 HG22 THR 32 -13.540 13.009 -10.817 251 HG23 THR 32 HG23 THR 32 -13.090 11.342 -10.473 252 H VAL 33 H VAL 33 -11.333 13.566 -6.501 253 HA VAL 33 HA VAL 33 -8.858 14.012 -7.615 254 HB VAL 33 HB VAL 33 -10.118 14.598 -4.937 255 HG11 VAL 33 HG11 VAL 33 -7.493 15.445 -6.112 256 HG12 VAL 33 HG12 VAL 33 -7.742 14.507 -4.595 257 HG13 VAL 33 HG13 VAL 33 -8.329 16.203 -4.743 258 HG21 VAL 33 HG21 VAL 33 -10.132 16.728 -5.837 259 HG22 VAL 33 HG22 VAL 33 -10.836 15.539 -7.021 260 HG23 VAL 33 HG23 VAL 33 -9.133 16.078 -7.142 261 H SER 34 H SER 34 -9.975 12.031 -4.970 262 HA SER 34 HA SER 34 -7.440 11.689 -4.267 263 HB2 SER 34 HB3 SER 34 -9.827 10.098 -3.318 264 HB3 SER 34 HB2 SER 34 -8.243 10.030 -2.542 265 HG SER 34 HG SER 34 -9.865 12.335 -2.902 266 H LEU 35 H LEU 35 -9.354 10.183 -6.587 267 HA LEU 35 HA LEU 35 -8.083 7.616 -6.784 268 HB2 LEU 35 HB3 LEU 35 -9.728 9.136 -8.821 269 HB3 LEU 35 HB2 LEU 35 -9.282 7.452 -8.917 270 HG LEU 35 HG LEU 35 -11.117 8.626 -6.841 271 HD11 LEU 35 HD11 LEU 35 -12.091 8.688 -9.085 272 HD12 LEU 35 HD12 LEU 35 -12.880 7.471 -8.080 273 HD13 LEU 35 HD13 LEU 35 -11.708 6.981 -9.300 274 HD21 LEU 35 HD21 LEU 35 -10.572 5.760 -7.538 275 HD22 LEU 35 HD22 LEU 35 -11.567 6.377 -6.211 276 HD23 LEU 35 HD23 LEU 35 -9.821 6.598 -6.183 277 H LYS 36 H LYS 36 -8.042 10.620 -8.706 278 HA LYS 36 HA LYS 36 -6.118 9.839 -10.535 279 HB2 LYS 36 HB3 LYS 36 -7.306 12.407 -9.732 280 HB3 LYS 36 HB2 LYS 36 -6.055 12.317 -10.956 281 HG2 LYS 36 HG3 LYS 36 -7.381 11.155 -12.428 282 HG3 LYS 36 HG2 LYS 36 -8.452 10.567 -11.144 283 HD2 LYS 36 HD3 LYS 36 -9.138 12.659 -10.706 284 HD3 LYS 36 HD2 LYS 36 -8.180 13.430 -11.986 285 HE2 LYS 36 HE3 LYS 36 -10.349 11.344 -12.411 286 HE3 LYS 36 HE2 LYS 36 -10.568 13.068 -12.686 287 HZ1 LYS 36 HZ1 LYS 36 -9.019 13.021 -14.459 288 HZ2 LYS 36 HZ2 LYS 36 -10.098 11.743 -14.684 289 HZ3 LYS 36 HZ3 LYS 36 -8.541 11.428 -14.131 290 H LEU 37 H LEU 37 -6.069 11.945 -7.687 291 HA LEU 37 HA LEU 37 -3.318 12.635 -8.022 292 HB2 LEU 37 HB3 LEU 37 -4.765 14.320 -7.336 293 HB3 LEU 37 HB2 LEU 37 -5.453 13.536 -5.990 294 HG LEU 37 HG LEU 37 -2.975 13.626 -5.177 295 HD11 LEU 37 HD11 LEU 37 -2.059 15.840 -5.827 296 HD12 LEU 37 HD12 LEU 37 -3.282 15.786 -7.127 297 HD13 LEU 37 HD13 LEU 37 -2.013 14.540 -7.031 298 HD21 LEU 37 HD21 LEU 37 -3.532 15.720 -3.996 299 HD22 LEU 37 HD22 LEU 37 -4.845 14.542 -3.959 300 HD23 LEU 37 HD23 LEU 37 -4.924 15.917 -5.062 301 H ASN 38 H ASN 38 -4.570 9.873 -7.078 302 HA ASN 38 HA ASN 38 -2.476 9.637 -5.146 303 HB2 ASN 38 HB3 ASN 38 -4.722 8.988 -4.282 304 HB3 ASN 38 HB2 ASN 38 -4.763 7.720 -5.493 305 HD21 ASN 38 HD21 ASN 38 -3.461 5.615 -3.106 306 HD22 ASN 38 HD22 ASN 38 -4.808 6.071 -4.079 307 H ASP 39 H ASP 39 -4.146 7.303 -7.360 308 HA ASP 39 HA ASP 39 -1.731 6.589 -8.709 309 HB2 ASP 39 HB3 ASP 39 -1.015 5.812 -6.539 310 HB3 ASP 39 HB2 ASP 39 -2.493 4.907 -6.320 311 H LYS 40 H LYS 40 -5.235 6.245 -8.511 312 HA LYS 40 HA LYS 40 -5.149 3.668 -9.712 313 HB2 LYS 40 HB3 LYS 40 -7.556 5.410 -9.302 314 HB3 LYS 40 HB2 LYS 40 -7.426 3.747 -9.674 315 HG2 LYS 40 HG3 LYS 40 -6.426 3.172 -7.516 316 HG3 LYS 40 HG2 LYS 40 -6.612 4.850 -6.991 317 HD2 LYS 40 HD3 LYS 40 -9.015 4.656 -7.204 318 HD3 LYS 40 HD2 LYS 40 -8.866 3.016 -7.835 319 HE2 LYS 40 HE3 LYS 40 -7.810 2.359 -5.666 320 HE3 LYS 40 HE2 LYS 40 -8.120 3.985 -5.074 321 HZ1 LYS 40 HZ1 LYS 40 -10.184 2.024 -5.905 322 HZ2 LYS 40 HZ2 LYS 40 -10.519 3.569 -5.420 323 HZ3 LYS 40 HZ3 LYS 40 -9.855 2.477 -4.325 324 H VAL 41 H VAL 41 -5.557 7.077 -10.568 325 HA VAL 41 HA VAL 41 -6.205 6.099 -13.226 326 HB VAL 41 HB VAL 41 -7.730 8.463 -12.644 327 HG11 VAL 41 HG11 VAL 41 -8.420 5.735 -13.227 328 HG12 VAL 41 HG12 VAL 41 -7.947 6.904 -14.498 329 HG13 VAL 41 HG13 VAL 41 -9.494 7.089 -13.578 330 HG21 VAL 41 HG21 VAL 41 -9.423 7.544 -11.207 331 HG22 VAL 41 HG22 VAL 41 -7.854 7.561 -10.376 332 HG23 VAL 41 HG23 VAL 41 -8.496 6.049 -11.038 333 H THR 42 H THR 42 -6.403 8.204 -14.648 334 HA THR 42 HA THR 42 -3.916 9.641 -14.166 335 HB THR 42 HB THR 42 -4.072 10.047 -16.655 336 HG1 THR 42 HG1 THR 42 -5.555 7.919 -17.234 337 HG21 THR 42 HG21 THR 42 -2.594 8.317 -15.707 338 HG22 THR 42 HG22 THR 42 -3.285 7.779 -17.238 339 HG23 THR 42 HG23 THR 42 -3.934 7.171 -15.717 340 H TRP 43 H TRP 43 -3.822 11.849 -14.696 341 HA TRP 43 HA TRP 43 -6.302 13.347 -14.499 342 HB2 TRP 43 HB3 TRP 43 -3.415 14.199 -14.754 343 HB3 TRP 43 HB2 TRP 43 -4.761 15.314 -14.751 344 HD1 TRP 43 HD1 TRP 43 -6.178 15.401 -12.371 345 HE1 TRP 43 HE1 TRP 43 -5.227 15.289 -9.991 346 HE3 TRP 43 HE3 TRP 43 -1.697 13.163 -13.385 347 HZ2 TRP 43 HZ2 TRP 43 -2.914 14.402 -8.720 348 HZ3 TRP 43 HZ3 TRP 43 -0.162 12.716 -11.516 349 HH2 TRP 43 HH2 TRP 43 -0.765 13.323 -9.222 350 H LYS 44 H LYS 44 -7.251 14.202 -16.271 351 HA LYS 44 HA LYS 44 -5.959 13.694 -18.776 352 HB2 LYS 44 HB3 LYS 44 -8.698 14.679 -18.016 353 HB3 LYS 44 HB2 LYS 44 -8.126 14.801 -19.671 354 HG2 LYS 44 HG3 LYS 44 -9.487 12.811 -19.435 355 HG3 LYS 44 HG2 LYS 44 -7.819 12.335 -19.713 356 HD2 LYS 44 HD3 LYS 44 -7.573 11.992 -17.250 357 HD3 LYS 44 HD2 LYS 44 -9.291 12.344 -17.073 358 HE2 LYS 44 HE3 LYS 44 -8.989 9.970 -17.090 359 HE3 LYS 44 HE2 LYS 44 -9.782 10.446 -18.586 360 HZ1 LYS 44 HZ1 LYS 44 -8.086 8.826 -19.036 361 HZ2 LYS 44 HZ2 LYS 44 -6.912 9.723 -18.246 362 HZ3 LYS 44 HZ3 LYS 44 -7.565 10.289 -19.690 363 H ASP 45 H ASP 45 -5.607 15.350 -20.327 364 HA ASP 45 HA ASP 45 -3.954 17.354 -19.353 365 HB2 ASP 45 HB3 ASP 45 -3.759 16.571 -21.621 366 HB3 ASP 45 HB2 ASP 45 -5.360 17.159 -22.022 367 H ASP 46 H ASP 46 -7.283 17.552 -20.251 368 HA ASP 46 HA ASP 46 -7.679 20.332 -19.931 369 HB2 ASP 46 HB3 ASP 46 -9.248 19.085 -21.218 370 HB3 ASP 46 HB2 ASP 46 -9.529 17.961 -19.899 371 H GLU 47 H GLU 47 -7.541 17.748 -17.640 372 HA GLU 47 HA GLU 47 -8.839 19.273 -15.535 373 HB2 GLU 47 HB3 GLU 47 -7.378 16.625 -15.385 374 HB3 GLU 47 HB2 GLU 47 -8.411 17.311 -14.139 375 HG2 GLU 47 HG3 GLU 47 -10.345 17.081 -15.584 376 HG3 GLU 47 HG2 GLU 47 -9.324 16.466 -16.881 377 H ILE 48 H ILE 48 -5.674 18.160 -16.525 378 HA ILE 48 HA ILE 48 -4.131 19.010 -14.366 379 HB ILE 48 HB ILE 48 -3.320 18.959 -17.294 380 HG12 ILE 48 HG13 ILE 48 -3.019 16.865 -15.129 381 HG13 ILE 48 HG12 ILE 48 -4.117 16.785 -16.497 382 HG21 ILE 48 HG21 ILE 48 -1.595 18.986 -14.811 383 HG22 ILE 48 HG22 ILE 48 -1.768 20.301 -15.972 384 HG23 ILE 48 HG23 ILE 48 -1.008 18.786 -16.462 385 HD11 ILE 48 HD11 ILE 48 -1.110 16.780 -16.641 386 HD12 ILE 48 HD12 ILE 48 -2.210 16.685 -18.019 387 HD13 ILE 48 HD13 ILE 48 -2.168 15.383 -16.830 388 H LEU 49 H LEU 49 -5.133 20.768 -17.275 389 HA LEU 49 HA LEU 49 -3.664 23.072 -16.720 390 HB2 LEU 49 HB3 LEU 49 -4.953 24.196 -18.442 391 HB3 LEU 49 HB2 LEU 49 -4.383 22.621 -18.946 392 HG LEU 49 HG LEU 49 -6.648 21.800 -18.324 393 HD11 LEU 49 HD11 LEU 49 -7.300 23.809 -17.165 394 HD12 LEU 49 HD12 LEU 49 -8.471 23.434 -18.454 395 HD13 LEU 49 HD13 LEU 49 -7.274 24.731 -18.664 396 HD21 LEU 49 HD21 LEU 49 -5.787 21.899 -20.545 397 HD22 LEU 49 HD22 LEU 49 -6.211 23.607 -20.677 398 HD23 LEU 49 HD23 LEU 49 -7.484 22.379 -20.568 399 H LYS 50 H LYS 50 -6.559 22.016 -15.330 400 HA LYS 50 HA LYS 50 -7.522 24.541 -14.352 401 HB2 LYS 50 HB3 LYS 50 -8.370 21.908 -14.348 402 HB3 LYS 50 HB2 LYS 50 -8.177 22.397 -12.660 403 HG2 LYS 50 HG3 LYS 50 -10.298 23.044 -13.207 404 HG3 LYS 50 HG2 LYS 50 -9.355 24.509 -13.270 405 HD2 LYS 50 HD3 LYS 50 -9.174 24.318 -15.710 406 HD3 LYS 50 HD2 LYS 50 -10.145 22.845 -15.643 407 HE2 LYS 50 HE3 LYS 50 -11.975 24.155 -14.630 408 HE3 LYS 50 HE2 LYS 50 -10.991 25.606 -14.843 409 HZ1 LYS 50 HZ1 LYS 50 -12.607 25.358 -16.619 410 HZ2 LYS 50 HZ2 LYS 50 -11.981 23.856 -17.045 411 HZ3 LYS 50 HZ3 LYS 50 -11.056 25.238 -17.252 412 H ALA 51 H ALA 51 -5.667 21.844 -13.009 413 HA ALA 51 HA ALA 51 -5.262 22.898 -10.434 414 HB1 ALA 51 HB1 ALA 51 -3.454 21.254 -10.236 415 HB2 ALA 51 HB2 ALA 51 -3.505 20.980 -11.978 416 HB3 ALA 51 HB3 ALA 51 -4.886 20.535 -10.974 417 H VAL 52 H VAL 52 -3.348 23.010 -13.355 418 HA VAL 52 HA VAL 52 -1.104 24.408 -12.524 419 HB VAL 52 HB VAL 52 -2.564 24.554 -15.187 420 HG11 VAL 52 HG11 VAL 52 -0.448 25.339 -16.144 421 HG12 VAL 52 HG12 VAL 52 0.247 25.433 -14.526 422 HG13 VAL 52 HG13 VAL 52 -1.100 26.481 -14.972 423 HG21 VAL 52 HG21 VAL 52 -0.190 22.934 -14.300 424 HG22 VAL 52 HG22 VAL 52 -0.849 22.978 -15.936 425 HG23 VAL 52 HG23 VAL 52 -1.815 22.326 -14.614 426 H HIS 53 H HIS 53 -4.271 25.693 -13.431 427 HA HIS 53 HA HIS 53 -3.318 28.377 -13.247 428 HB2 HIS 53 HB3 HIS 53 -5.784 27.048 -14.080 429 HB3 HIS 53 HB2 HIS 53 -5.890 28.713 -13.514 430 HD1 HIS 53 HD1 HIS 53 -4.551 26.590 -16.303 431 HD2 HIS 53 HD2 HIS 53 -4.583 30.591 -15.176 432 HE1 HIS 53 HE1 HIS 53 -3.613 27.879 -18.262 433 H VAL 54 H VAL 54 -4.594 26.201 -11.048 434 HA VAL 54 HA VAL 54 -5.707 28.297 -9.345 435 HB VAL 54 HB VAL 54 -5.575 25.281 -8.962 436 HG11 VAL 54 HG11 VAL 54 -5.482 26.374 -6.814 437 HG12 VAL 54 HG12 VAL 54 -7.048 25.608 -7.035 438 HG13 VAL 54 HG13 VAL 54 -6.892 27.366 -7.207 439 HG21 VAL 54 HG21 VAL 54 -7.154 25.955 -10.679 440 HG22 VAL 54 HG22 VAL 54 -7.891 27.110 -9.572 441 HG23 VAL 54 HG23 VAL 54 -8.017 25.379 -9.252 442 H LEU 55 H LEU 55 -3.250 25.720 -9.238 443 HA LEU 55 HA LEU 55 -2.106 26.487 -6.866 444 HB2 LEU 55 HB3 LEU 55 -1.654 24.654 -9.132 445 HB3 LEU 55 HB2 LEU 55 -0.437 24.844 -7.930 446 HG LEU 55 HG LEU 55 -1.986 22.921 -7.805 447 HD11 LEU 55 HD11 LEU 55 -1.783 24.729 -5.371 448 HD12 LEU 55 HD12 LEU 55 -0.613 23.501 -5.867 449 HD13 LEU 55 HD13 LEU 55 -2.203 23.019 -5.275 450 HD21 LEU 55 HD21 LEU 55 -3.968 24.928 -6.783 451 HD22 LEU 55 HD22 LEU 55 -4.139 23.188 -6.569 452 HD23 LEU 55 HD23 LEU 55 -4.123 23.879 -8.192 453 H GLU 56 H GLU 56 -1.948 27.804 -9.940 454 HA GLU 56 HA GLU 56 -0.740 29.321 -10.996 455 HB2 GLU 56 HB3 GLU 56 0.615 29.691 -8.335 456 HB3 GLU 56 HB2 GLU 56 0.965 30.690 -9.738 457 HG2 GLU 56 HG3 GLU 56 -1.472 31.257 -9.799 458 HG3 GLU 56 HG2 GLU 56 -1.611 30.457 -8.232 459 H LEU 57 H LEU 57 -0.051 26.756 -11.293 460 HA LEU 57 HA LEU 57 2.847 26.589 -11.338 461 HB2 LEU 57 HB3 LEU 57 0.854 24.702 -12.346 462 HB3 LEU 57 HB2 LEU 57 2.537 24.333 -12.076 463 HG LEU 57 HG LEU 57 0.427 24.816 -9.967 464 HD11 LEU 57 HD11 LEU 57 0.919 22.524 -9.278 465 HD12 LEU 57 HD12 LEU 57 2.051 22.371 -10.620 466 HD13 LEU 57 HD13 LEU 57 0.331 22.607 -10.937 467 HD21 LEU 57 HD21 LEU 57 3.389 24.344 -9.600 468 HD22 LEU 57 HD22 LEU 57 2.194 24.371 -8.308 469 HD23 LEU 57 HD23 LEU 57 2.520 25.835 -9.233 470 H ASN 58 H ASN 58 3.344 25.222 -13.610 471 HA ASN 58 HA ASN 58 2.224 26.637 -15.863 472 HB2 ASN 58 HB3 ASN 58 4.147 27.990 -15.002 473 HB3 ASN 58 HB2 ASN 58 5.174 26.573 -15.146 474 HD21 ASN 58 HD21 ASN 58 4.188 28.848 -18.341 475 HD22 ASN 58 HD22 ASN 58 3.450 28.986 -16.786 476 HA PRO 59 HA PRO 59 2.624 22.523 -17.747 477 HB2 PRO 59 HB3 PRO 59 3.960 23.372 -20.093 478 HB3 PRO 59 HB2 PRO 59 2.227 23.100 -19.891 479 HG2 PRO 59 HG3 PRO 59 3.792 25.632 -19.709 480 HG3 PRO 59 HG2 PRO 59 2.150 25.369 -20.326 481 HD2 PRO 59 HD3 PRO 59 2.523 26.497 -17.965 482 HD3 PRO 59 HD2 PRO 59 1.241 25.275 -18.163 483 H GLN 60 H GLN 60 5.428 24.630 -17.618 484 HA GLN 60 HA GLN 60 7.385 22.605 -18.175 485 HB2 GLN 60 HB3 GLN 60 7.669 25.306 -16.885 486 HB3 GLN 60 HB2 GLN 60 9.001 24.323 -17.486 487 HG2 GLN 60 HG3 GLN 60 8.123 24.449 -19.704 488 HG3 GLN 60 HG2 GLN 60 6.738 25.374 -19.146 489 HE21 GLN 60 HE21 GLN 60 8.384 28.417 -18.919 490 HE22 GLN 60 HE22 GLN 60 7.004 27.455 -18.493 491 H ASP 61 H ASP 61 5.664 23.662 -15.305 492 HA ASP 61 HA ASP 61 7.523 22.558 -13.480 493 HB2 ASP 61 HB3 ASP 61 4.996 24.097 -13.467 494 HB3 ASP 61 HB2 ASP 61 5.576 23.331 -12.022 495 H ILE 62 H ILE 62 5.345 21.256 -15.531 496 HA ILE 62 HA ILE 62 3.685 19.817 -13.795 497 HB ILE 62 HB ILE 62 4.384 19.194 -16.667 498 HG12 ILE 62 HG13 ILE 62 3.171 21.259 -16.321 499 HG13 ILE 62 HG12 ILE 62 2.124 20.051 -17.071 500 HG21 ILE 62 HG21 ILE 62 2.467 17.653 -16.668 501 HG22 ILE 62 HG22 ILE 62 2.284 17.880 -14.930 502 HG23 ILE 62 HG23 ILE 62 3.733 17.104 -15.569 503 HD11 ILE 62 HD11 ILE 62 1.101 19.654 -14.856 504 HD12 ILE 62 HD12 ILE 62 0.893 21.294 -15.449 505 HD13 ILE 62 HD13 ILE 62 2.085 20.969 -14.197 506 HA PRO 63 HA PRO 63 6.693 16.096 -13.989 507 HB2 PRO 63 HB3 PRO 63 9.323 17.128 -14.708 508 HB3 PRO 63 HB2 PRO 63 8.414 15.778 -15.380 509 HG2 PRO 63 HG3 PRO 63 8.815 18.035 -16.793 510 HG3 PRO 63 HG2 PRO 63 7.330 17.088 -16.940 511 HD2 PRO 63 HD3 PRO 63 7.812 19.565 -15.297 512 HD3 PRO 63 HD2 PRO 63 6.445 19.185 -16.379 513 H LYS 64 H LYS 64 7.329 19.108 -13.045 514 HA LYS 64 HA LYS 64 9.298 18.677 -10.973 515 HB2 LYS 64 HB3 LYS 64 7.569 21.068 -11.546 516 HB3 LYS 64 HB2 LYS 64 8.942 21.033 -10.453 517 HG2 LYS 64 HG3 LYS 64 9.146 20.396 -13.369 518 HG3 LYS 64 HG2 LYS 64 9.341 22.021 -12.751 519 HD2 LYS 64 HD3 LYS 64 11.168 21.130 -11.295 520 HD3 LYS 64 HD2 LYS 64 11.034 19.588 -12.157 521 HE2 LYS 64 HE3 LYS 64 11.462 20.817 -14.278 522 HE3 LYS 64 HE2 LYS 64 11.710 22.282 -13.337 523 HZ1 LYS 64 HZ1 LYS 64 13.580 21.157 -12.211 524 HZ2 LYS 64 HZ2 LYS 64 13.815 21.308 -13.859 525 HZ3 LYS 64 HZ3 LYS 64 13.375 19.822 -13.224 526 H TYR 65 H TYR 65 5.891 18.435 -11.324 527 HA TYR 65 HA TYR 65 5.481 18.424 -8.423 528 HB2 TYR 65 HB3 TYR 65 3.868 19.641 -10.610 529 HB3 TYR 65 HB2 TYR 65 3.093 19.111 -9.128 530 HD1 TYR 65 HD1 TYR 65 5.680 21.383 -10.499 531 HD2 TYR 65 HD2 TYR 65 3.241 20.348 -7.231 532 HE1 TYR 65 HE1 TYR 65 6.345 23.470 -9.399 533 HE2 TYR 65 HE2 TYR 65 3.896 22.455 -6.065 534 HH TYR 65 HH TYR 65 5.827 24.029 -6.147 535 H PHE 66 H PHE 66 4.099 17.288 -11.501 536 HA PHE 66 HA PHE 66 2.553 15.268 -10.076 537 HB2 PHE 66 HB3 PHE 66 2.484 16.150 -12.976 538 HB3 PHE 66 HB2 PHE 66 1.400 14.991 -12.233 539 HD1 PHE 66 HD1 PHE 66 -0.358 15.724 -10.721 540 HD2 PHE 66 HD2 PHE 66 2.257 18.521 -12.567 541 HE1 PHE 66 HE1 PHE 66 -1.900 17.544 -10.135 542 HE2 PHE 66 HE2 PHE 66 0.723 20.349 -11.986 543 HZ PHE 66 HZ PHE 66 -1.363 19.865 -10.768 544 H PHE 67 H PHE 67 5.457 14.887 -10.331 545 HA PHE 67 HA PHE 67 5.375 12.557 -12.089 546 HB2 PHE 67 HB3 PHE 67 7.006 14.714 -12.618 547 HB3 PHE 67 HB2 PHE 67 8.010 13.714 -11.610 548 HD1 PHE 67 HD1 PHE 67 6.338 13.886 -14.828 549 HD2 PHE 67 HD2 PHE 67 8.723 11.494 -12.243 550 HE1 PHE 67 HE1 PHE 67 6.843 12.380 -16.701 551 HE2 PHE 67 HE2 PHE 67 9.240 9.986 -14.117 552 HZ PHE 67 HZ PHE 67 8.294 10.430 -16.347 553 H ASN 68 H ASN 68 5.039 11.102 -10.571 554 HA ASN 68 HA ASN 68 6.205 10.833 -8.087 555 HB2 ASN 68 HB3 ASN 68 4.376 9.512 -9.642 556 HB3 ASN 68 HB2 ASN 68 5.739 8.407 -9.672 557 HD21 ASN 68 HD21 ASN 68 4.294 9.272 -6.006 558 HD22 ASN 68 HD22 ASN 68 4.621 10.547 -7.091 559 H ALA 69 H ALA 69 8.481 10.935 -7.878 560 HA ALA 69 HA ALA 69 9.987 9.415 -9.843 561 HB1 ALA 69 HB1 ALA 69 11.174 11.148 -7.665 562 HB2 ALA 69 HB2 ALA 69 10.801 11.699 -9.297 563 HB3 ALA 69 HB3 ALA 69 12.018 10.454 -9.045 564 H LYS 70 H LYS 70 8.366 8.413 -7.756 565 HA LYS 70 HA LYS 70 10.030 6.219 -7.083 566 HB2 LYS 70 HB3 LYS 70 10.362 7.531 -5.044 567 HB3 LYS 70 HB2 LYS 70 8.630 7.765 -4.872 568 HG2 LYS 70 HG3 LYS 70 9.607 6.074 -3.308 569 HG3 LYS 70 HG2 LYS 70 8.300 5.457 -4.318 570 HD2 LYS 70 HD3 LYS 70 9.935 4.460 -5.828 571 HD3 LYS 70 HD2 LYS 70 11.253 5.080 -4.827 572 HE2 LYS 70 HE3 LYS 70 10.534 3.690 -2.987 573 HE3 LYS 70 HE2 LYS 70 9.113 3.170 -3.894 574 HZ1 LYS 70 HZ1 LYS 70 11.934 2.605 -4.678 575 HZ2 LYS 70 HZ2 LYS 70 10.546 2.076 -5.480 576 HZ3 LYS 70 HZ3 LYS 70 10.873 1.526 -3.937 577 H VAL 71 H VAL 71 8.791 5.398 -8.654 578 HA VAL 71 HA VAL 71 6.138 4.708 -7.778 579 HB VAL 71 HB VAL 71 5.852 6.271 -9.602 580 HG11 VAL 71 HG11 VAL 71 7.989 6.121 -10.660 581 HG12 VAL 71 HG12 VAL 71 6.702 5.917 -11.859 582 HG13 VAL 71 HG13 VAL 71 7.605 4.512 -11.275 583 HG21 VAL 71 HG21 VAL 71 4.242 4.478 -9.564 584 HG22 VAL 71 HG22 VAL 71 5.293 3.466 -10.552 585 HG23 VAL 71 HG23 VAL 71 4.581 4.926 -11.235 586 H HIS 72 H HIS 72 6.938 3.053 -6.790 587 HA HIS 72 HA HIS 72 7.559 0.966 -6.350 588 HB2 HIS 72 HB3 HIS 72 5.755 0.440 -8.029 589 HB3 HIS 72 HB2 HIS 72 6.965 0.446 -9.292 590 HD1 HIS 72 HD1 HIS 72 5.736 -1.602 -6.390 591 HD2 HIS 72 HD2 HIS 72 8.357 -1.927 -9.572 592 HE1 HIS 72 HE1 HIS 72 6.328 -4.019 -6.513 Start of MODEL 11 1 H GLY -1 H GLY -1 8.735 19.385 3.508 2 HA2 GLY -1 HA2 GLY -1 9.448 20.896 1.767 3 HA3 GLY -1 HA3 GLY -1 10.746 19.822 2.286 4 H SER 0 H SER 0 11.290 18.938 0.331 5 HA SER 0 HA SER 0 9.158 17.603 -1.101 6 HB2 SER 0 HB3 SER 0 10.976 17.523 -2.937 7 HB3 SER 0 HB2 SER 0 10.210 19.075 -2.598 8 HG SER 0 HG SER 0 12.634 18.879 -2.751 9 H MET 1 H MET 1 9.006 15.783 0.123 10 HA MET 1 HA MET 1 11.367 14.173 0.568 11 HB2 MET 1 HB3 MET 1 9.862 14.238 2.429 12 HB3 MET 1 HB2 MET 1 8.490 13.831 1.411 13 HG2 MET 1 HG3 MET 1 9.217 11.946 2.795 14 HG3 MET 1 HG2 MET 1 9.341 11.602 1.073 15 HE1 MET 1 HE1 MET 1 10.720 9.684 3.048 16 HE2 MET 1 HE2 MET 1 12.306 9.506 2.295 17 HE3 MET 1 HE3 MET 1 10.857 9.591 1.295 18 H SER 2 H SER 2 12.054 13.463 -1.291 19 HA SER 2 HA SER 2 12.292 12.199 -3.100 20 HB2 SER 2 HB3 SER 2 10.176 10.550 -1.718 21 HB3 SER 2 HB2 SER 2 11.122 9.992 -3.099 22 HG SER 2 HG SER 2 12.574 11.064 -1.017 23 H TYR 3 H TYR 3 10.826 10.874 -4.819 24 HA TYR 3 HA TYR 3 9.136 12.946 -5.931 25 HB2 TYR 3 HB3 TYR 3 11.021 11.083 -6.956 26 HB3 TYR 3 HB2 TYR 3 9.449 10.867 -7.723 27 HD1 TYR 3 HD1 TYR 3 11.489 13.803 -6.636 28 HD2 TYR 3 HD2 TYR 3 9.274 11.914 -9.709 29 HE1 TYR 3 HE1 TYR 3 11.937 15.711 -8.117 30 HE2 TYR 3 HE2 TYR 3 9.675 13.786 -11.197 31 HH TYR 3 HH TYR 3 10.237 16.166 -10.977 32 H ASP 4 H ASP 4 7.768 12.147 -4.206 33 HA ASP 4 HA ASP 4 6.005 9.923 -5.007 34 HB2 ASP 4 HB3 ASP 4 6.649 9.950 -2.645 35 HB3 ASP 4 HB2 ASP 4 6.158 11.621 -2.487 36 H TYR 5 H TYR 5 4.845 12.637 -3.318 37 HA TYR 5 HA TYR 5 4.147 14.264 -5.645 38 HB2 TYR 5 HB3 TYR 5 2.020 13.253 -3.694 39 HB3 TYR 5 HB2 TYR 5 1.779 14.568 -4.831 40 HD1 TYR 5 HD1 TYR 5 1.472 11.070 -4.303 41 HD2 TYR 5 HD2 TYR 5 2.104 13.985 -7.331 42 HE1 TYR 5 HE1 TYR 5 0.736 9.451 -6.004 43 HE2 TYR 5 HE2 TYR 5 1.364 12.369 -9.049 44 HH TYR 5 HH TYR 5 -0.240 9.525 -8.232 45 H SER 6 H SER 6 5.827 14.205 -3.182 46 HA SER 6 HA SER 6 4.694 15.659 -1.091 47 HB2 SER 6 HB3 SER 6 6.632 14.154 -0.869 48 HB3 SER 6 HB2 SER 6 7.603 15.271 -1.815 49 HG SER 6 HG SER 6 6.388 15.785 0.682 50 H SER 7 H SER 7 6.700 16.819 -3.820 51 HA SER 7 HA SER 7 6.946 19.463 -2.876 52 HB2 SER 7 HB3 SER 7 8.380 18.441 -4.664 53 HB3 SER 7 HB2 SER 7 6.995 18.474 -5.749 54 HG SER 7 HG SER 7 8.386 20.238 -6.041 55 H LEU 8 H LEU 8 4.518 17.779 -4.723 56 HA LEU 8 HA LEU 8 2.953 20.036 -5.498 57 HB2 LEU 8 HB3 LEU 8 2.926 17.883 -6.699 58 HB3 LEU 8 HB2 LEU 8 2.325 17.119 -5.271 59 HG LEU 8 HG LEU 8 0.192 18.153 -5.429 60 HD11 LEU 8 HD11 LEU 8 1.308 19.787 -7.713 61 HD12 LEU 8 HD12 LEU 8 0.831 20.361 -6.103 62 HD13 LEU 8 HD13 LEU 8 -0.388 19.727 -7.203 63 HD21 LEU 8 HD21 LEU 8 0.512 16.228 -6.796 64 HD22 LEU 8 HD22 LEU 8 1.204 17.238 -8.074 65 HD23 LEU 8 HD23 LEU 8 -0.517 17.382 -7.661 66 H LEU 9 H LEU 9 2.726 17.591 -2.969 67 HA LEU 9 HA LEU 9 0.392 18.418 -1.925 68 HB2 LEU 9 HB3 LEU 9 2.790 17.085 -0.755 69 HB3 LEU 9 HB2 LEU 9 1.328 17.281 0.154 70 HG LEU 9 HG LEU 9 1.677 15.689 -2.386 71 HD11 LEU 9 HD11 LEU 9 2.626 14.608 -0.445 72 HD12 LEU 9 HD12 LEU 9 1.175 13.763 -0.981 73 HD13 LEU 9 HD13 LEU 9 1.112 14.813 0.436 74 HD21 LEU 9 HD21 LEU 9 -0.651 14.953 -2.039 75 HD22 LEU 9 HD22 LEU 9 -0.536 16.664 -2.395 76 HD23 LEU 9 HD23 LEU 9 -0.818 16.129 -0.736 77 H GLY 10 H GLY 10 3.694 19.487 -1.185 78 HA2 GLY 10 HA3 GLY 10 3.035 21.282 0.900 79 HA3 GLY 10 HA2 GLY 10 4.481 21.364 -0.106 80 H LYS 11 H LYS 11 3.186 21.668 -2.630 81 HA LYS 11 HA LYS 11 2.872 24.421 -2.797 82 HB2 LYS 11 HB3 LYS 11 3.659 22.728 -4.483 83 HB3 LYS 11 HB2 LYS 11 1.982 22.246 -4.662 84 HG2 LYS 11 HG3 LYS 11 2.524 23.652 -6.408 85 HG3 LYS 11 HG2 LYS 11 1.472 24.544 -5.275 86 HD2 LYS 11 HD3 LYS 11 3.363 25.709 -4.357 87 HD3 LYS 11 HD2 LYS 11 4.475 24.716 -5.303 88 HE2 LYS 11 HE3 LYS 11 3.494 25.668 -7.353 89 HE3 LYS 11 HE2 LYS 11 2.501 26.722 -6.347 90 HZ1 LYS 11 HZ1 LYS 11 4.480 27.762 -5.495 91 HZ2 LYS 11 HZ2 LYS 11 4.529 27.776 -7.179 92 HZ3 LYS 11 HZ3 LYS 11 5.454 26.657 -6.324 93 H ILE 12 H ILE 12 0.648 21.684 -2.764 94 HA ILE 12 HA ILE 12 -1.746 23.037 -3.173 95 HB ILE 12 HB ILE 12 -1.195 20.479 -1.642 96 HG12 ILE 12 HG13 ILE 12 -2.232 20.946 -4.449 97 HG13 ILE 12 HG12 ILE 12 -0.611 20.418 -4.028 98 HG21 ILE 12 HG21 ILE 12 -3.604 19.990 -1.915 99 HG22 ILE 12 HG22 ILE 12 -3.824 21.635 -2.534 100 HG23 ILE 12 HG23 ILE 12 -3.295 21.383 -0.876 101 HD11 ILE 12 HD11 ILE 12 -3.153 18.884 -3.516 102 HD12 ILE 12 HD12 ILE 12 -1.526 18.354 -3.098 103 HD13 ILE 12 HD13 ILE 12 -1.979 18.560 -4.792 104 H THR 13 H THR 13 -0.023 22.269 -0.156 105 HA THR 13 HA THR 13 -1.888 23.312 1.627 106 HB THR 13 HB THR 13 1.106 23.406 1.886 107 HG1 THR 13 HG1 THR 13 -0.793 21.347 2.484 108 HG21 THR 13 HG21 THR 13 0.592 23.133 4.329 109 HG22 THR 13 HG22 THR 13 -1.127 23.256 3.928 110 HG23 THR 13 HG23 THR 13 -0.060 24.623 3.639 111 H GLU 14 H GLU 14 0.768 24.857 -0.099 112 HA GLU 14 HA GLU 14 0.474 27.301 1.221 113 HB2 GLU 14 HB3 GLU 14 1.893 26.352 -1.098 114 HB3 GLU 14 HB2 GLU 14 2.044 28.079 -0.676 115 HG2 GLU 14 HG3 GLU 14 2.888 27.188 1.572 116 HG3 GLU 14 HG2 GLU 14 2.935 25.597 0.814 117 H LYS 15 H LYS 15 -1.131 25.979 -1.634 118 HA LYS 15 HA LYS 15 -1.963 28.590 -2.489 119 HB2 LYS 15 HB3 LYS 15 -1.511 26.009 -3.566 120 HB3 LYS 15 HB2 LYS 15 -3.149 26.529 -3.923 121 HG2 LYS 15 HG3 LYS 15 -1.654 27.176 -5.697 122 HG3 LYS 15 HG2 LYS 15 -2.151 28.631 -4.827 123 HD2 LYS 15 HD3 LYS 15 -0.037 28.429 -3.483 124 HD3 LYS 15 HD2 LYS 15 0.437 27.130 -4.568 125 HE2 LYS 15 HE3 LYS 15 1.420 29.186 -5.336 126 HE3 LYS 15 HE2 LYS 15 0.183 28.554 -6.438 127 HZ1 LYS 15 HZ1 LYS 15 -0.205 30.798 -4.515 128 HZ2 LYS 15 HZ2 LYS 15 -1.398 30.188 -5.516 129 HZ3 LYS 15 HZ3 LYS 15 -0.082 30.960 -6.186 130 H CYS 16 H CYS 16 -3.274 25.510 -1.303 131 HA CYS 16 HA CYS 16 -5.902 26.674 -1.379 132 HB2 CYS 16 HB3 CYS 16 -4.850 23.889 -1.615 133 HB3 CYS 16 HB2 CYS 16 -6.535 24.354 -1.642 134 HG CYS 16 HG CYS 16 -5.795 26.139 -3.932 135 H GLY 17 H GLY 17 -3.570 24.615 0.409 136 HA2 GLY 17 HA3 GLY 17 -3.911 25.029 2.953 137 HA3 GLY 17 HA2 GLY 17 -5.521 24.631 2.467 138 H THR 18 H THR 18 -5.843 22.694 1.325 139 HA THR 18 HA THR 18 -4.175 20.466 2.218 140 HB THR 18 HB THR 18 -6.142 19.328 3.176 141 HG1 THR 18 HG1 THR 18 -8.047 20.632 3.521 142 HG21 THR 18 HG21 THR 18 -6.455 20.776 5.207 143 HG22 THR 18 HG22 THR 18 -5.620 22.067 4.310 144 HG23 THR 18 HG23 THR 18 -4.758 20.595 4.722 145 H GLN 19 H GLN 19 -5.507 18.352 1.348 146 HA GLN 19 HA GLN 19 -5.655 18.688 -1.474 147 HB2 GLN 19 HB3 GLN 19 -6.480 16.332 0.228 148 HB3 GLN 19 HB2 GLN 19 -6.269 16.302 -1.517 149 HG2 GLN 19 HG3 GLN 19 -3.881 16.839 -1.213 150 HG3 GLN 19 HG2 GLN 19 -4.115 16.792 0.531 151 HE21 GLN 19 HE21 GLN 19 -4.938 13.131 0.013 152 HE22 GLN 19 HE22 GLN 19 -5.974 14.467 0.322 153 H TYR 20 H TYR 20 -7.924 18.524 1.148 154 HA TYR 20 HA TYR 20 -10.363 18.294 -0.195 155 HB2 TYR 20 HB3 TYR 20 -10.027 18.399 2.303 156 HB3 TYR 20 HB2 TYR 20 -9.739 20.095 2.118 157 HD1 TYR 20 HD1 TYR 20 -11.438 21.664 2.168 158 HD2 TYR 20 HD2 TYR 20 -12.415 17.606 1.405 159 HE1 TYR 20 HE1 TYR 20 -13.830 22.240 2.254 160 HE2 TYR 20 HE2 TYR 20 -14.819 18.162 1.488 161 HH TYR 20 HH TYR 20 -16.206 19.937 2.560 162 H ASN 21 H ASN 21 -8.700 21.172 0.877 163 HA ASN 21 HA ASN 21 -10.287 23.061 -0.421 164 HB2 ASN 21 HB3 ASN 21 -7.374 23.214 0.288 165 HB3 ASN 21 HB2 ASN 21 -8.261 24.539 -0.410 166 HD21 ASN 21 HD21 ASN 21 -8.298 23.878 3.546 167 HD22 ASN 21 HD22 ASN 21 -7.512 22.798 2.490 168 H PHE 22 H PHE 22 -7.379 21.420 -1.557 169 HA PHE 22 HA PHE 22 -6.896 22.579 -4.035 170 HB2 PHE 22 HB3 PHE 22 -5.598 20.729 -2.930 171 HB3 PHE 22 HB2 PHE 22 -6.876 19.658 -3.367 172 HD1 PHE 22 HD1 PHE 22 -4.371 21.895 -4.965 173 HD2 PHE 22 HD2 PHE 22 -6.946 18.541 -5.389 174 HE1 PHE 22 HE1 PHE 22 -3.359 21.390 -7.159 175 HE2 PHE 22 HE2 PHE 22 -5.946 18.035 -7.575 176 HZ PHE 22 HZ PHE 22 -4.149 19.458 -8.462 177 H ALA 23 H ALA 23 -8.873 19.869 -3.212 178 HA ALA 23 HA ALA 23 -9.999 19.257 -5.644 179 HB1 ALA 23 HB1 ALA 23 -11.331 19.044 -2.948 180 HB2 ALA 23 HB2 ALA 23 -10.226 17.866 -3.652 181 HB3 ALA 23 HB3 ALA 23 -11.796 18.161 -4.403 182 H ILE 24 H ILE 24 -11.229 21.473 -3.128 183 HA ILE 24 HA ILE 24 -13.595 22.300 -4.293 184 HB ILE 24 HB ILE 24 -11.732 23.982 -2.632 185 HG12 ILE 24 HG13 ILE 24 -12.086 21.847 -1.492 186 HG13 ILE 24 HG12 ILE 24 -12.929 23.141 -0.713 187 HG21 ILE 24 HG21 ILE 24 -13.802 25.077 -1.863 188 HG22 ILE 24 HG22 ILE 24 -14.729 24.090 -2.990 189 HG23 ILE 24 HG23 ILE 24 -13.560 25.262 -3.601 190 HD11 ILE 24 HD11 ILE 24 -14.155 21.088 -2.520 191 HD12 ILE 24 HD12 ILE 24 -15.019 22.399 -1.701 192 HD13 ILE 24 HD13 ILE 24 -14.226 21.125 -0.755 193 H ALA 25 H ALA 25 -10.351 23.699 -4.452 194 HA ALA 25 HA ALA 25 -11.022 25.905 -6.068 195 HB1 ALA 25 HB1 ALA 25 -9.026 25.815 -4.639 196 HB2 ALA 25 HB2 ALA 25 -8.629 26.226 -6.307 197 HB3 ALA 25 HB3 ALA 25 -8.331 24.594 -5.707 198 H MET 26 H MET 26 -9.825 22.639 -6.869 199 HA MET 26 HA MET 26 -9.495 23.046 -9.612 200 HB2 MET 26 HB3 MET 26 -8.623 21.198 -8.121 201 HB3 MET 26 HB2 MET 26 -10.260 20.540 -8.233 202 HG2 MET 26 HG3 MET 26 -10.130 20.511 -10.588 203 HG3 MET 26 HG2 MET 26 -8.519 21.241 -10.485 204 HE1 MET 26 HE1 MET 26 -7.522 19.489 -12.007 205 HE2 MET 26 HE2 MET 26 -9.097 18.738 -12.205 206 HE3 MET 26 HE3 MET 26 -7.677 17.730 -11.846 207 H GLY 27 H GLY 27 -12.192 21.873 -7.646 208 HA2 GLY 27 HA3 GLY 27 -14.452 22.556 -8.364 209 HA3 GLY 27 HA2 GLY 27 -13.954 22.178 -10.008 210 H LEU 28 H LEU 28 -12.772 20.056 -7.636 211 HA LEU 28 HA LEU 28 -14.804 18.063 -8.353 212 HB2 LEU 28 HB3 LEU 28 -11.824 17.807 -8.177 213 HB3 LEU 28 HB2 LEU 28 -12.829 16.430 -7.809 214 HG LEU 28 HG LEU 28 -13.741 16.481 -10.089 215 HD11 LEU 28 HD11 LEU 28 -11.796 18.711 -10.563 216 HD12 LEU 28 HD12 LEU 28 -13.556 18.825 -10.472 217 HD13 LEU 28 HD13 LEU 28 -12.802 17.908 -11.790 218 HD21 LEU 28 HD21 LEU 28 -11.719 15.754 -11.246 219 HD22 LEU 28 HD22 LEU 28 -11.797 15.115 -9.604 220 HD23 LEU 28 HD23 LEU 28 -10.737 16.477 -9.972 221 H SER 29 H SER 29 -14.816 16.297 -6.797 222 HA SER 29 HA SER 29 -14.942 17.384 -4.109 223 HB2 SER 29 HB3 SER 29 -15.572 14.639 -5.092 224 HB3 SER 29 HB2 SER 29 -16.122 15.356 -3.576 225 HG SER 29 HG SER 29 -17.094 17.011 -5.018 226 H GLU 30 H GLU 30 -13.808 16.405 -2.322 227 HA GLU 30 HA GLU 30 -11.108 15.961 -2.638 228 HB2 GLU 30 HB3 GLU 30 -12.059 16.525 -0.477 229 HB3 GLU 30 HB2 GLU 30 -12.922 14.995 -0.416 230 HG2 GLU 30 HG3 GLU 30 -10.691 13.847 -0.486 231 HG3 GLU 30 HG2 GLU 30 -9.954 15.432 -0.274 232 H ARG 31 H ARG 31 -13.643 13.575 -2.152 233 HA ARG 31 HA ARG 31 -12.172 11.232 -2.105 234 HB2 ARG 31 HB3 ARG 31 -14.736 11.793 -1.834 235 HB3 ARG 31 HB2 ARG 31 -14.772 11.350 -3.527 236 HG2 ARG 31 HG3 ARG 31 -15.393 9.463 -2.187 237 HG3 ARG 31 HG2 ARG 31 -13.834 9.149 -2.962 238 HD2 ARG 31 HD3 ARG 31 -12.654 9.636 -0.946 239 HD3 ARG 31 HD2 ARG 31 -14.119 10.231 -0.168 240 HE ARG 31 HE ARG 31 -14.633 7.658 -0.874 241 HH11 ARG 31 HH11 ARG 31 -12.235 9.316 1.130 242 HH12 ARG 31 HH12 ARG 31 -12.092 8.046 2.263 243 HH21 ARG 31 HH21 ARG 31 -14.449 5.903 0.710 244 HH22 ARG 31 HH22 ARG 31 -13.368 6.061 2.006 245 H THR 32 H THR 32 -13.412 13.067 -4.811 246 HA THR 32 HA THR 32 -12.798 11.124 -6.831 247 HB THR 32 HB THR 32 -13.383 14.072 -7.198 248 HG1 THR 32 HG1 THR 32 -15.112 11.914 -6.526 249 HG21 THR 32 HG21 THR 32 -12.741 12.838 -9.218 250 HG22 THR 32 HG22 THR 32 -14.449 13.280 -9.288 251 HG23 THR 32 HG23 THR 32 -13.978 11.628 -8.884 252 H VAL 33 H VAL 33 -11.316 14.186 -5.698 253 HA VAL 33 HA VAL 33 -9.216 14.287 -7.452 254 HB VAL 33 HB VAL 33 -9.653 15.288 -4.640 255 HG11 VAL 33 HG11 VAL 33 -7.413 15.842 -6.567 256 HG12 VAL 33 HG12 VAL 33 -7.260 14.946 -5.023 257 HG13 VAL 33 HG13 VAL 33 -7.744 16.671 -5.028 258 HG21 VAL 33 HG21 VAL 33 -9.750 17.279 -5.760 259 HG22 VAL 33 HG22 VAL 33 -10.845 16.046 -6.545 260 HG23 VAL 33 HG23 VAL 33 -9.191 16.405 -7.197 261 H SER 34 H SER 34 -9.668 12.628 -4.443 262 HA SER 34 HA SER 34 -7.085 12.243 -4.225 263 HB2 SER 34 HB3 SER 34 -9.286 10.664 -2.891 264 HB3 SER 34 HB2 SER 34 -7.598 10.572 -2.393 265 HG SER 34 HG SER 34 -9.186 12.931 -2.478 266 H LEU 35 H LEU 35 -9.388 10.683 -6.177 267 HA LEU 35 HA LEU 35 -8.157 8.142 -6.448 268 HB2 LEU 35 HB3 LEU 35 -10.043 9.555 -8.339 269 HB3 LEU 35 HB2 LEU 35 -9.686 7.844 -8.331 270 HG LEU 35 HG LEU 35 -11.110 9.339 -6.136 271 HD11 LEU 35 HD11 LEU 35 -13.093 8.156 -6.878 272 HD12 LEU 35 HD12 LEU 35 -12.173 7.426 -8.188 273 HD13 LEU 35 HD13 LEU 35 -12.440 9.170 -8.166 274 HD21 LEU 35 HD21 LEU 35 -11.608 7.134 -5.232 275 HD22 LEU 35 HD22 LEU 35 -9.870 7.429 -5.275 276 HD23 LEU 35 HD23 LEU 35 -10.622 6.384 -6.486 277 H LYS 36 H LYS 36 -8.250 11.095 -8.581 278 HA LYS 36 HA LYS 36 -6.394 10.093 -10.445 279 HB2 LYS 36 HB3 LYS 36 -7.259 12.918 -9.820 280 HB3 LYS 36 HB2 LYS 36 -6.272 12.438 -11.172 281 HG2 LYS 36 HG3 LYS 36 -8.414 12.799 -12.092 282 HG3 LYS 36 HG2 LYS 36 -8.309 11.051 -11.901 283 HD2 LYS 36 HD3 LYS 36 -9.647 11.100 -9.938 284 HD3 LYS 36 HD2 LYS 36 -9.584 12.851 -9.895 285 HE2 LYS 36 HE3 LYS 36 -11.709 11.936 -10.759 286 HE3 LYS 36 HE2 LYS 36 -10.915 13.055 -11.862 287 HZ1 LYS 36 HZ1 LYS 36 -10.163 11.102 -13.145 288 HZ2 LYS 36 HZ2 LYS 36 -11.829 11.178 -12.989 289 HZ3 LYS 36 HZ3 LYS 36 -10.978 10.078 -12.058 290 H LEU 37 H LEU 37 -6.192 12.214 -7.649 291 HA LEU 37 HA LEU 37 -3.501 12.886 -8.201 292 HB2 LEU 37 HB3 LEU 37 -4.700 14.585 -7.349 293 HB3 LEU 37 HB2 LEU 37 -5.453 13.817 -6.033 294 HG LEU 37 HG LEU 37 -2.950 13.689 -5.248 295 HD11 LEU 37 HD11 LEU 37 -1.943 14.661 -7.071 296 HD12 LEU 37 HD12 LEU 37 -1.932 15.911 -5.797 297 HD13 LEU 37 HD13 LEU 37 -3.156 15.941 -7.092 298 HD21 LEU 37 HD21 LEU 37 -3.363 15.741 -3.942 299 HD22 LEU 37 HD22 LEU 37 -4.749 14.650 -3.948 300 HD23 LEU 37 HD23 LEU 37 -4.753 16.085 -4.973 301 H ASN 38 H ASN 38 -4.727 10.124 -6.920 302 HA ASN 38 HA ASN 38 -2.262 9.875 -5.469 303 HB2 ASN 38 HB3 ASN 38 -4.443 9.264 -4.263 304 HB3 ASN 38 HB2 ASN 38 -4.535 7.920 -5.366 305 HD21 ASN 38 HD21 ASN 38 -2.918 6.088 -2.937 306 HD22 ASN 38 HD22 ASN 38 -4.414 6.501 -3.701 307 H ASP 39 H ASP 39 -4.360 7.615 -7.202 308 HA ASP 39 HA ASP 39 -2.662 6.945 -9.345 309 HB2 ASP 39 HB3 ASP 39 -1.616 4.887 -8.758 310 HB3 ASP 39 HB2 ASP 39 -1.165 6.064 -7.530 311 H LYS 40 H LYS 40 -5.705 6.702 -7.969 312 HA LYS 40 HA LYS 40 -6.364 4.050 -8.551 313 HB2 LYS 40 HB3 LYS 40 -8.030 6.530 -8.191 314 HB3 LYS 40 HB2 LYS 40 -8.643 4.892 -8.272 315 HG2 LYS 40 HG3 LYS 40 -6.855 6.017 -6.122 316 HG3 LYS 40 HG2 LYS 40 -8.572 5.650 -5.970 317 HD2 LYS 40 HD3 LYS 40 -7.994 3.265 -6.533 318 HD3 LYS 40 HD2 LYS 40 -6.300 3.722 -6.377 319 HE2 LYS 40 HE3 LYS 40 -6.781 4.486 -4.058 320 HE3 LYS 40 HE2 LYS 40 -8.417 3.859 -4.243 321 HZ1 LYS 40 HZ1 LYS 40 -7.393 1.648 -4.705 322 HZ2 LYS 40 HZ2 LYS 40 -7.122 2.222 -3.153 323 HZ3 LYS 40 HZ3 LYS 40 -5.893 2.313 -4.295 324 H VAL 41 H VAL 41 -6.424 7.123 -10.198 325 HA VAL 41 HA VAL 41 -6.676 5.834 -12.718 326 HB VAL 41 HB VAL 41 -8.099 7.824 -13.397 327 HG11 VAL 41 HG11 VAL 41 -9.356 5.739 -11.589 328 HG12 VAL 41 HG12 VAL 41 -9.042 5.551 -13.317 329 HG13 VAL 41 HG13 VAL 41 -10.245 6.716 -12.759 330 HG21 VAL 41 HG21 VAL 41 -8.695 7.892 -10.451 331 HG22 VAL 41 HG22 VAL 41 -9.563 8.805 -11.692 332 HG23 VAL 41 HG23 VAL 41 -7.858 9.125 -11.388 333 H THR 42 H THR 42 -6.084 7.631 -14.389 334 HA THR 42 HA THR 42 -3.844 9.063 -13.222 335 HB THR 42 HB THR 42 -3.089 9.047 -15.661 336 HG1 THR 42 HG1 THR 42 -4.239 7.016 -16.611 337 HG21 THR 42 HG21 THR 42 -2.141 7.511 -13.975 338 HG22 THR 42 HG22 THR 42 -2.291 6.719 -15.545 339 HG23 THR 42 HG23 THR 42 -3.462 6.381 -14.271 340 H TRP 43 H TRP 43 -3.394 11.203 -14.151 341 HA TRP 43 HA TRP 43 -5.787 12.735 -14.589 342 HB2 TRP 43 HB3 TRP 43 -2.868 13.491 -14.727 343 HB3 TRP 43 HB2 TRP 43 -4.179 14.610 -15.014 344 HD1 TRP 43 HD1 TRP 43 -5.782 15.102 -12.793 345 HE1 TRP 43 HE1 TRP 43 -5.034 15.340 -10.346 346 HE3 TRP 43 HE3 TRP 43 -1.290 12.677 -13.075 347 HZ2 TRP 43 HZ2 TRP 43 -2.840 14.626 -8.756 348 HZ3 TRP 43 HZ3 TRP 43 0.080 12.501 -11.040 349 HH2 TRP 43 HH2 TRP 43 -0.682 13.456 -8.923 350 H LYS 44 H LYS 44 -6.504 13.485 -16.548 351 HA LYS 44 HA LYS 44 -5.138 12.626 -18.931 352 HB2 LYS 44 HB3 LYS 44 -7.453 14.560 -18.597 353 HB3 LYS 44 HB2 LYS 44 -6.925 13.800 -20.081 354 HG2 LYS 44 HG3 LYS 44 -8.119 12.354 -17.724 355 HG3 LYS 44 HG2 LYS 44 -8.980 12.799 -19.195 356 HD2 LYS 44 HD3 LYS 44 -7.458 11.368 -20.501 357 HD3 LYS 44 HD2 LYS 44 -6.616 10.925 -19.014 358 HE2 LYS 44 HE3 LYS 44 -8.640 9.957 -18.118 359 HE3 LYS 44 HE2 LYS 44 -9.539 10.436 -19.559 360 HZ1 LYS 44 HZ1 LYS 44 -7.280 8.514 -19.479 361 HZ2 LYS 44 HZ2 LYS 44 -8.190 8.910 -20.847 362 HZ3 LYS 44 HZ3 LYS 44 -8.906 8.119 -19.555 363 H ASP 45 H ASP 45 -4.326 14.318 -20.428 364 HA ASP 45 HA ASP 45 -2.619 16.141 -19.154 365 HB2 ASP 45 HB3 ASP 45 -2.411 15.223 -21.525 366 HB3 ASP 45 HB2 ASP 45 -3.611 16.423 -21.998 367 H ASP 46 H ASP 46 -5.773 16.481 -20.495 368 HA ASP 46 HA ASP 46 -6.169 19.277 -20.300 369 HB2 ASP 46 HB3 ASP 46 -8.252 17.098 -20.075 370 HB3 ASP 46 HB2 ASP 46 -8.503 18.768 -20.563 371 H GLU 47 H GLU 47 -6.385 16.706 -17.975 372 HA GLU 47 HA GLU 47 -7.858 18.296 -16.065 373 HB2 GLU 47 HB3 GLU 47 -6.465 15.628 -15.769 374 HB3 GLU 47 HB2 GLU 47 -7.456 16.382 -14.527 375 HG2 GLU 47 HG3 GLU 47 -8.446 15.619 -17.260 376 HG3 GLU 47 HG2 GLU 47 -8.624 14.611 -15.824 377 H ILE 48 H ILE 48 -4.588 17.431 -16.786 378 HA ILE 48 HA ILE 48 -3.366 18.460 -14.467 379 HB ILE 48 HB ILE 48 -2.240 18.295 -17.291 380 HG12 ILE 48 HG13 ILE 48 -1.958 16.366 -14.966 381 HG13 ILE 48 HG12 ILE 48 -2.953 16.111 -16.393 382 HG21 ILE 48 HG21 ILE 48 -0.948 19.851 -15.920 383 HG22 ILE 48 HG22 ILE 48 -0.019 18.383 -16.225 384 HG23 ILE 48 HG23 ILE 48 -0.788 18.628 -14.659 385 HD11 ILE 48 HD11 ILE 48 -0.882 14.855 -16.527 386 HD12 ILE 48 HD12 ILE 48 0.051 16.338 -16.340 387 HD13 ILE 48 HD13 ILE 48 -0.928 16.092 -17.783 388 H LEU 49 H LEU 49 -4.304 19.984 -17.616 389 HA LEU 49 HA LEU 49 -3.273 22.474 -17.533 390 HB2 LEU 49 HB3 LEU 49 -6.018 21.537 -18.258 391 HB3 LEU 49 HB2 LEU 49 -5.323 23.040 -18.737 392 HG LEU 49 HG LEU 49 -4.445 20.323 -19.639 393 HD11 LEU 49 HD11 LEU 49 -5.533 20.952 -21.719 394 HD12 LEU 49 HD12 LEU 49 -5.833 22.573 -21.090 395 HD13 LEU 49 HD13 LEU 49 -6.677 21.206 -20.380 396 HD21 LEU 49 HD21 LEU 49 -2.581 21.939 -19.573 397 HD22 LEU 49 HD22 LEU 49 -3.558 23.079 -20.501 398 HD23 LEU 49 HD23 LEU 49 -3.049 21.555 -21.231 399 H LYS 50 H LYS 50 -6.089 21.132 -16.046 400 HA LYS 50 HA LYS 50 -7.407 23.455 -15.179 401 HB2 LYS 50 HB3 LYS 50 -8.043 20.962 -15.592 402 HB3 LYS 50 HB2 LYS 50 -7.655 20.819 -13.906 403 HG2 LYS 50 HG3 LYS 50 -9.335 22.151 -13.199 404 HG3 LYS 50 HG2 LYS 50 -9.527 22.977 -14.754 405 HD2 LYS 50 HD3 LYS 50 -10.198 20.093 -14.178 406 HD3 LYS 50 HD2 LYS 50 -11.298 21.493 -14.184 407 HE2 LYS 50 HE3 LYS 50 -11.061 21.867 -16.436 408 HE3 LYS 50 HE2 LYS 50 -9.592 20.912 -16.549 409 HZ1 LYS 50 HZ1 LYS 50 -12.316 19.799 -16.008 410 HZ2 LYS 50 HZ2 LYS 50 -10.921 18.897 -16.320 411 HZ3 LYS 50 HZ3 LYS 50 -11.593 19.842 -17.530 412 H ALA 51 H ALA 51 -5.240 21.152 -13.556 413 HA ALA 51 HA ALA 51 -5.378 22.462 -11.016 414 HB1 ALA 51 HB1 ALA 51 -3.326 20.509 -12.069 415 HB2 ALA 51 HB2 ALA 51 -4.808 20.076 -11.215 416 HB3 ALA 51 HB3 ALA 51 -3.537 20.970 -10.379 417 H VAL 52 H VAL 52 -3.098 22.482 -13.697 418 HA VAL 52 HA VAL 52 -1.049 24.135 -12.749 419 HB VAL 52 HB VAL 52 -2.232 23.973 -15.553 420 HG11 VAL 52 HG11 VAL 52 0.490 25.050 -14.778 421 HG12 VAL 52 HG12 VAL 52 -0.898 26.035 -15.219 422 HG13 VAL 52 HG13 VAL 52 -0.193 24.935 -16.403 423 HG21 VAL 52 HG21 VAL 52 -0.336 22.506 -16.008 424 HG22 VAL 52 HG22 VAL 52 -1.383 21.865 -14.739 425 HG23 VAL 52 HG23 VAL 52 0.150 22.622 -14.317 426 H HIS 53 H HIS 53 -4.115 24.986 -14.150 427 HA HIS 53 HA HIS 53 -3.744 27.776 -14.379 428 HB2 HIS 53 HB3 HIS 53 -5.433 26.321 -15.491 429 HB3 HIS 53 HB2 HIS 53 -6.295 26.263 -13.985 430 HD1 HIS 53 HD1 HIS 53 -5.593 28.622 -16.817 431 HD2 HIS 53 HD2 HIS 53 -7.698 28.568 -13.235 432 HE1 HIS 53 HE1 HIS 53 -7.135 30.603 -16.898 433 H VAL 54 H VAL 54 -4.728 25.759 -11.781 434 HA VAL 54 HA VAL 54 -5.909 27.962 -10.276 435 HB VAL 54 HB VAL 54 -5.662 25.005 -9.649 436 HG11 VAL 54 HG11 VAL 54 -5.646 26.296 -7.573 437 HG12 VAL 54 HG12 VAL 54 -7.170 25.431 -7.761 438 HG13 VAL 54 HG13 VAL 54 -7.098 27.166 -8.083 439 HG21 VAL 54 HG21 VAL 54 -8.041 26.703 -10.403 440 HG22 VAL 54 HG22 VAL 54 -8.098 24.994 -9.973 441 HG23 VAL 54 HG23 VAL 54 -7.239 25.509 -11.424 442 H LEU 55 H LEU 55 -3.269 25.642 -9.987 443 HA LEU 55 HA LEU 55 -2.233 26.660 -7.614 444 HB2 LEU 55 HB3 LEU 55 -1.657 24.664 -9.697 445 HB3 LEU 55 HB2 LEU 55 -0.406 25.092 -8.601 446 HG LEU 55 HG LEU 55 -1.971 23.066 -8.270 447 HD11 LEU 55 HD11 LEU 55 -0.189 23.690 -6.670 448 HD12 LEU 55 HD12 LEU 55 -1.623 23.222 -5.760 449 HD13 LEU 55 HD13 LEU 55 -1.230 24.928 -5.969 450 HD21 LEU 55 HD21 LEU 55 -4.096 24.190 -8.247 451 HD22 LEU 55 HD22 LEU 55 -3.601 25.195 -6.884 452 HD23 LEU 55 HD23 LEU 55 -3.828 23.465 -6.662 453 H GLU 56 H GLU 56 -2.167 27.834 -10.708 454 HA GLU 56 HA GLU 56 -1.067 29.438 -11.814 455 HB2 GLU 56 HB3 GLU 56 0.468 29.906 -9.245 456 HB3 GLU 56 HB2 GLU 56 0.414 30.991 -10.618 457 HG2 GLU 56 HG3 GLU 56 -1.949 31.394 -10.213 458 HG3 GLU 56 HG2 GLU 56 -1.901 30.275 -8.843 459 H LEU 57 H LEU 57 -0.169 26.850 -11.992 460 HA LEU 57 HA LEU 57 2.674 26.738 -11.644 461 HB2 LEU 57 HB3 LEU 57 0.816 24.845 -12.858 462 HB3 LEU 57 HB2 LEU 57 2.504 24.470 -12.563 463 HG LEU 57 HG LEU 57 0.326 24.930 -10.526 464 HD11 LEU 57 HD11 LEU 57 0.803 22.621 -9.854 465 HD12 LEU 57 HD12 LEU 57 1.978 22.497 -11.164 466 HD13 LEU 57 HD13 LEU 57 0.270 22.728 -11.531 467 HD21 LEU 57 HD21 LEU 57 3.274 24.473 -10.071 468 HD22 LEU 57 HD22 LEU 57 2.037 24.433 -8.820 469 HD23 LEU 57 HD23 LEU 57 2.364 25.936 -9.680 470 H ASN 58 H ASN 58 3.808 25.549 -13.574 471 HA ASN 58 HA ASN 58 3.304 26.981 -16.071 472 HB2 ASN 58 HB3 ASN 58 5.078 28.108 -14.761 473 HB3 ASN 58 HB2 ASN 58 5.937 26.584 -14.613 474 HD21 ASN 58 HD21 ASN 58 6.161 28.816 -17.951 475 HD22 ASN 58 HD22 ASN 58 5.065 29.157 -16.656 476 HA PRO 59 HA PRO 59 3.762 22.869 -17.916 477 HB2 PRO 59 HB3 PRO 59 5.509 23.679 -19.984 478 HB3 PRO 59 HB2 PRO 59 3.755 23.515 -20.084 479 HG2 PRO 59 HG3 PRO 59 5.413 25.945 -19.623 480 HG3 PRO 59 HG2 PRO 59 3.864 25.787 -20.466 481 HD2 PRO 59 HD3 PRO 59 4.015 26.860 -18.028 482 HD3 PRO 59 HD2 PRO 59 2.645 25.815 -18.470 483 H GLN 60 H GLN 60 6.671 24.839 -17.298 484 HA GLN 60 HA GLN 60 8.411 22.526 -17.469 485 HB2 GLN 60 HB3 GLN 60 9.035 25.312 -16.496 486 HB3 GLN 60 HB2 GLN 60 10.206 24.049 -16.837 487 HG2 GLN 60 HG3 GLN 60 9.399 24.074 -19.190 488 HG3 GLN 60 HG2 GLN 60 8.456 25.506 -18.786 489 HE21 GLN 60 HE21 GLN 60 11.260 27.348 -19.778 490 HE22 GLN 60 HE22 GLN 60 9.641 26.866 -20.160 491 H ASP 61 H ASP 61 6.412 23.901 -15.093 492 HA ASP 61 HA ASP 61 7.956 23.195 -12.799 493 HB2 ASP 61 HB3 ASP 61 5.553 24.634 -13.543 494 HB3 ASP 61 HB2 ASP 61 5.340 23.702 -12.095 495 H ILE 62 H ILE 62 5.788 21.776 -14.973 496 HA ILE 62 HA ILE 62 4.156 20.118 -13.562 497 HB ILE 62 HB ILE 62 5.379 19.648 -16.255 498 HG12 ILE 62 HG13 ILE 62 3.981 21.629 -16.184 499 HG13 ILE 62 HG12 ILE 62 3.128 20.343 -17.023 500 HG21 ILE 62 HG21 ILE 62 3.109 18.099 -14.988 501 HG22 ILE 62 HG22 ILE 62 4.699 17.467 -15.409 502 HG23 ILE 62 HG23 ILE 62 3.598 17.993 -16.679 503 HD11 ILE 62 HD11 ILE 62 1.632 21.548 -15.604 504 HD12 ILE 62 HD12 ILE 62 2.641 21.249 -14.201 505 HD13 ILE 62 HD13 ILE 62 1.818 19.903 -15.000 506 HA PRO 63 HA PRO 63 7.164 16.365 -13.719 507 HB2 PRO 63 HB3 PRO 63 9.811 16.682 -13.800 508 HB3 PRO 63 HB2 PRO 63 8.771 16.760 -15.239 509 HG2 PRO 63 HG3 PRO 63 9.840 19.031 -13.615 510 HG3 PRO 63 HG2 PRO 63 9.965 18.786 -15.368 511 HD2 PRO 63 HD3 PRO 63 8.088 20.303 -14.218 512 HD3 PRO 63 HD2 PRO 63 7.741 19.389 -15.721 513 H LYS 64 H LYS 64 7.503 19.049 -11.918 514 HA LYS 64 HA LYS 64 8.963 17.813 -9.699 515 HB2 LYS 64 HB3 LYS 64 7.591 20.472 -9.638 516 HB3 LYS 64 HB2 LYS 64 8.962 19.929 -8.686 517 HG2 LYS 64 HG3 LYS 64 10.308 19.913 -10.856 518 HG3 LYS 64 HG2 LYS 64 8.908 20.644 -11.591 519 HD2 LYS 64 HD3 LYS 64 10.453 21.869 -9.304 520 HD3 LYS 64 HD2 LYS 64 10.485 22.388 -10.986 521 HE2 LYS 64 HE3 LYS 64 8.045 22.839 -10.839 522 HE3 LYS 64 HE2 LYS 64 8.109 22.403 -9.143 523 HZ1 LYS 64 HZ1 LYS 64 9.736 24.596 -10.274 524 HZ2 LYS 64 HZ2 LYS 64 9.383 24.302 -8.636 525 HZ3 LYS 64 HZ3 LYS 64 8.177 24.779 -9.709 526 H TYR 65 H TYR 65 5.753 18.118 -10.819 527 HA TYR 65 HA TYR 65 4.674 17.793 -8.127 528 HB2 TYR 65 HB3 TYR 65 3.459 19.066 -10.560 529 HB3 TYR 65 HB2 TYR 65 2.636 18.792 -9.033 530 HD1 TYR 65 HD1 TYR 65 4.282 21.180 -10.915 531 HD2 TYR 65 HD2 TYR 65 4.043 19.677 -7.001 532 HE1 TYR 65 HE1 TYR 65 5.187 23.310 -10.079 533 HE2 TYR 65 HE2 TYR 65 4.951 21.824 -6.103 534 HH TYR 65 HH TYR 65 6.313 23.705 -6.931 535 H PHE 66 H PHE 66 3.945 17.116 -11.529 536 HA PHE 66 HA PHE 66 2.160 14.958 -10.698 537 HB2 PHE 66 HB3 PHE 66 2.570 16.271 -13.399 538 HB3 PHE 66 HB2 PHE 66 1.347 15.067 -13.016 539 HD1 PHE 66 HD1 PHE 66 2.261 18.561 -12.863 540 HD2 PHE 66 HD2 PHE 66 -0.497 15.642 -11.467 541 HE1 PHE 66 HE1 PHE 66 0.720 20.351 -12.179 542 HE2 PHE 66 HE2 PHE 66 -2.045 17.424 -10.782 543 HZ PHE 66 HZ PHE 66 -1.434 19.784 -11.135 544 H PHE 67 H PHE 67 4.967 14.535 -10.462 545 HA PHE 67 HA PHE 67 5.313 12.437 -12.456 546 HB2 PHE 67 HB3 PHE 67 6.646 14.635 -12.885 547 HB3 PHE 67 HB2 PHE 67 7.611 14.109 -11.526 548 HD1 PHE 67 HD1 PHE 67 7.212 14.008 -14.990 549 HD2 PHE 67 HD2 PHE 67 8.581 11.661 -11.714 550 HE1 PHE 67 HE1 PHE 67 8.576 12.651 -16.529 551 HE2 PHE 67 HE2 PHE 67 9.941 10.300 -13.245 552 HZ PHE 67 HZ PHE 67 9.944 10.792 -15.651 553 H ASN 68 H ASN 68 4.946 10.774 -10.982 554 HA ASN 68 HA ASN 68 6.210 10.621 -8.517 555 HB2 ASN 68 HB3 ASN 68 3.943 9.878 -9.328 556 HB3 ASN 68 HB2 ASN 68 4.799 8.645 -10.243 557 HD21 ASN 68 HD21 ASN 68 4.410 8.464 -6.365 558 HD22 ASN 68 HD22 ASN 68 4.079 9.918 -7.205 559 H ALA 69 H ALA 69 8.286 9.790 -8.403 560 HA ALA 69 HA ALA 69 9.177 8.215 -10.716 561 HB1 ALA 69 HB1 ALA 69 11.500 8.720 -10.120 562 HB2 ALA 69 HB2 ALA 69 10.951 9.615 -8.709 563 HB3 ALA 69 HB3 ALA 69 10.579 10.209 -10.327 564 H LYS 70 H LYS 70 7.635 7.493 -8.439 565 HA LYS 70 HA LYS 70 7.223 5.804 -7.057 566 HB2 LYS 70 HB3 LYS 70 7.709 4.585 -9.063 567 HB3 LYS 70 HB2 LYS 70 9.410 4.538 -8.629 568 HG2 LYS 70 HG3 LYS 70 8.813 3.170 -6.645 569 HG3 LYS 70 HG2 LYS 70 7.124 3.221 -7.147 570 HD2 LYS 70 HD3 LYS 70 9.424 1.966 -8.635 571 HD3 LYS 70 HD2 LYS 70 8.115 1.119 -7.823 572 HE2 LYS 70 HE3 LYS 70 6.502 2.118 -9.409 573 HE3 LYS 70 HE2 LYS 70 7.831 2.932 -10.226 574 HZ1 LYS 70 HZ1 LYS 70 8.780 0.770 -10.749 575 HZ2 LYS 70 HZ2 LYS 70 7.246 0.939 -11.403 576 HZ3 LYS 70 HZ3 LYS 70 7.475 -0.011 -10.024 577 H VAL 71 H VAL 71 7.535 6.151 -5.079 578 HA VAL 71 HA VAL 71 10.015 5.234 -3.974 579 HB VAL 71 HB VAL 71 10.147 7.673 -3.700 580 HG11 VAL 71 HG11 VAL 71 7.477 7.532 -2.366 581 HG12 VAL 71 HG12 VAL 71 7.844 8.253 -3.932 582 HG13 VAL 71 HG13 VAL 71 8.513 8.963 -2.454 583 HG21 VAL 71 HG21 VAL 71 9.432 6.344 -1.094 584 HG22 VAL 71 HG22 VAL 71 10.298 7.873 -1.251 585 HG23 VAL 71 HG23 VAL 71 11.021 6.383 -1.856 586 H HIS 72 H HIS 72 9.346 3.386 -3.568 587 HA HIS 72 HA HIS 72 8.231 1.614 -2.847 588 HB2 HIS 72 HB3 HIS 72 7.857 2.566 -0.609 589 HB3 HIS 72 HB2 HIS 72 6.552 3.574 -1.221 590 HD1 HIS 72 HD1 HIS 72 4.240 2.588 -1.155 591 HD2 HIS 72 HD2 HIS 72 7.191 -0.274 -0.559 592 HE1 HIS 72 HE1 HIS 72 3.035 0.500 -0.487 Start of MODEL 12 1 H GLY -1 H GLY -1 16.850 20.217 -3.555 2 HA2 GLY -1 HA2 GLY -1 15.398 20.945 -5.335 3 HA3 GLY -1 HA3 GLY -1 16.166 19.395 -5.694 4 H SER 0 H SER 0 13.790 19.044 -6.294 5 HA SER 0 HA SER 0 12.070 18.652 -4.049 6 HB2 SER 0 HB3 SER 0 11.656 17.775 -6.924 7 HB3 SER 0 HB2 SER 0 10.427 17.933 -5.675 8 HG SER 0 HG SER 0 11.920 19.955 -6.946 9 H MET 1 H MET 1 13.491 16.475 -6.508 10 HA MET 1 HA MET 1 14.135 14.305 -6.516 11 HB2 MET 1 HB3 MET 1 14.408 14.826 -3.560 12 HB3 MET 1 HB2 MET 1 14.654 13.221 -4.200 13 HG2 MET 1 HG3 MET 1 16.763 14.346 -3.798 14 HG3 MET 1 HG2 MET 1 16.553 14.025 -5.508 15 HE1 MET 1 HE1 MET 1 16.537 17.440 -7.157 16 HE2 MET 1 HE2 MET 1 15.396 16.092 -7.082 17 HE3 MET 1 HE3 MET 1 17.120 15.780 -7.264 18 H SER 2 H SER 2 12.286 14.424 -3.614 19 HA SER 2 HA SER 2 10.683 12.158 -4.473 20 HB2 SER 2 HB3 SER 2 10.539 13.669 -1.860 21 HB3 SER 2 HB2 SER 2 10.004 12.020 -2.190 22 HG SER 2 HG SER 2 12.365 11.741 -2.776 23 H TYR 3 H TYR 3 9.538 13.273 -6.107 24 HA TYR 3 HA TYR 3 8.011 15.645 -5.584 25 HB2 TYR 3 HB3 TYR 3 6.965 13.790 -7.658 26 HB3 TYR 3 HB2 TYR 3 7.314 15.496 -7.753 27 HD1 TYR 3 HD1 TYR 3 8.256 12.309 -8.802 28 HD2 TYR 3 HD2 TYR 3 9.894 16.116 -7.842 29 HE1 TYR 3 HE1 TYR 3 10.160 11.769 -10.133 30 HE2 TYR 3 HE2 TYR 3 11.879 15.595 -9.190 31 HH TYR 3 HH TYR 3 11.971 13.023 -11.345 32 H ASP 4 H ASP 4 6.851 12.566 -6.526 33 HA ASP 4 HA ASP 4 5.274 11.068 -5.845 34 HB2 ASP 4 HB3 ASP 4 7.216 11.194 -4.097 35 HB3 ASP 4 HB2 ASP 4 5.943 11.811 -3.060 36 H TYR 5 H TYR 5 4.318 13.820 -6.147 37 HA TYR 5 HA TYR 5 2.551 15.127 -5.859 38 HB2 TYR 5 HB3 TYR 5 1.186 12.812 -4.435 39 HB3 TYR 5 HB2 TYR 5 0.431 14.244 -5.142 40 HD1 TYR 5 HD1 TYR 5 1.557 10.897 -5.763 41 HD2 TYR 5 HD2 TYR 5 0.614 14.581 -7.654 42 HE1 TYR 5 HE1 TYR 5 1.361 9.736 -7.920 43 HE2 TYR 5 HE2 TYR 5 0.406 13.421 -9.808 44 HH TYR 5 HH TYR 5 1.291 11.369 -10.861 45 H SER 6 H SER 6 4.351 14.194 -3.316 46 HA SER 6 HA SER 6 2.967 15.444 -1.128 47 HB2 SER 6 HB3 SER 6 4.670 13.618 -0.850 48 HB3 SER 6 HB2 SER 6 5.903 14.712 -1.459 49 HG SER 6 HG SER 6 4.832 14.492 1.011 50 H SER 7 H SER 7 5.492 16.316 -3.399 51 HA SER 7 HA SER 7 5.939 18.948 -2.468 52 HB2 SER 7 HB3 SER 7 7.487 17.771 -4.014 53 HB3 SER 7 HB2 SER 7 6.252 17.786 -5.264 54 HG SER 7 HG SER 7 7.501 19.451 -5.725 55 H LEU 8 H LEU 8 3.553 17.448 -4.478 56 HA LEU 8 HA LEU 8 2.405 19.796 -5.613 57 HB2 LEU 8 HB3 LEU 8 2.164 17.528 -6.608 58 HB3 LEU 8 HB2 LEU 8 1.286 17.053 -5.200 59 HG LEU 8 HG LEU 8 -0.611 18.331 -5.727 60 HD11 LEU 8 HD11 LEU 8 -0.703 19.849 -7.667 61 HD12 LEU 8 HD12 LEU 8 1.053 19.656 -7.873 62 HD13 LEU 8 HD13 LEU 8 0.386 20.354 -6.381 63 HD21 LEU 8 HD21 LEU 8 0.546 17.117 -8.193 64 HD22 LEU 8 HD22 LEU 8 -1.167 17.531 -7.974 65 HD23 LEU 8 HD23 LEU 8 -0.410 16.294 -6.952 66 H LEU 9 H LEU 9 1.632 17.687 -2.903 67 HA LEU 9 HA LEU 9 -0.627 18.848 -2.118 68 HB2 LEU 9 HB3 LEU 9 1.561 17.413 -0.730 69 HB3 LEU 9 HB2 LEU 9 0.201 17.941 0.195 70 HG LEU 9 HG LEU 9 0.175 15.989 -2.113 71 HD11 LEU 9 HD11 LEU 9 -0.289 15.607 0.837 72 HD12 LEU 9 HD12 LEU 9 1.122 15.073 -0.075 73 HD13 LEU 9 HD13 LEU 9 -0.459 14.369 -0.403 74 HD21 LEU 9 HD21 LEU 9 -2.181 15.623 -1.552 75 HD22 LEU 9 HD22 LEU 9 -1.904 17.276 -2.086 76 HD23 LEU 9 HD23 LEU 9 -2.104 16.927 -0.371 77 H GLY 10 H GLY 10 2.666 19.896 -1.661 78 HA2 GLY 10 HA3 GLY 10 2.291 21.829 0.355 79 HA3 GLY 10 HA2 GLY 10 3.571 21.856 -0.863 80 H LYS 11 H LYS 11 2.235 22.115 -3.222 81 HA LYS 11 HA LYS 11 1.581 24.804 -3.361 82 HB2 LYS 11 HB3 LYS 11 1.271 22.444 -5.168 83 HB3 LYS 11 HB2 LYS 11 0.704 24.035 -5.624 84 HG2 LYS 11 HG3 LYS 11 3.520 23.372 -4.851 85 HG3 LYS 11 HG2 LYS 11 2.940 23.442 -6.520 86 HD2 LYS 11 HD3 LYS 11 2.301 25.806 -6.165 87 HD3 LYS 11 HD2 LYS 11 2.943 25.730 -4.530 88 HE2 LYS 11 HE3 LYS 11 4.513 25.347 -7.076 89 HE3 LYS 11 HE2 LYS 11 4.524 26.777 -6.043 90 HZ1 LYS 11 HZ1 LYS 11 5.442 24.070 -5.280 91 HZ2 LYS 11 HZ2 LYS 11 5.428 25.433 -4.266 92 HZ3 LYS 11 HZ3 LYS 11 6.416 25.398 -5.638 93 H ILE 12 H ILE 12 -0.311 21.878 -3.365 94 HA ILE 12 HA ILE 12 -2.833 22.958 -3.773 95 HB ILE 12 HB ILE 12 -2.036 20.498 -2.196 96 HG12 ILE 12 HG13 ILE 12 -3.132 20.834 -4.997 97 HG13 ILE 12 HG12 ILE 12 -1.457 20.499 -4.588 98 HG21 ILE 12 HG21 ILE 12 -4.379 19.758 -2.432 99 HG22 ILE 12 HG22 ILE 12 -4.784 21.340 -3.105 100 HG23 ILE 12 HG23 ILE 12 -4.234 21.208 -1.437 101 HD11 ILE 12 HD11 ILE 12 -3.770 18.679 -3.967 102 HD12 ILE 12 HD12 ILE 12 -2.043 18.324 -3.761 103 HD13 ILE 12 HD13 ILE 12 -2.720 18.540 -5.370 104 H THR 13 H THR 13 -1.174 22.422 -0.698 105 HA THR 13 HA THR 13 -3.295 23.416 0.888 106 HB THR 13 HB THR 13 -0.369 23.320 1.546 107 HG1 THR 13 HG1 THR 13 -0.821 21.220 1.106 108 HG21 THR 13 HG21 THR 13 -1.269 22.992 3.892 109 HG22 THR 13 HG22 THR 13 -2.887 23.309 3.222 110 HG23 THR 13 HG23 THR 13 -1.665 24.557 3.173 111 H GLU 14 H GLU 14 -0.470 24.924 -0.550 112 HA GLU 14 HA GLU 14 -0.875 27.339 0.867 113 HB2 GLU 14 HB3 GLU 14 0.900 26.370 -1.165 114 HB3 GLU 14 HB2 GLU 14 0.982 28.117 -0.798 115 HG2 GLU 14 HG3 GLU 14 1.425 27.363 1.580 116 HG3 GLU 14 HG2 GLU 14 1.521 25.715 0.966 117 H LYS 15 H LYS 15 -2.181 26.141 -2.157 118 HA LYS 15 HA LYS 15 -2.792 28.845 -2.958 119 HB2 LYS 15 HB3 LYS 15 -2.111 26.378 -4.202 120 HB3 LYS 15 HB2 LYS 15 -3.585 27.055 -4.845 121 HG2 LYS 15 HG3 LYS 15 -1.722 27.891 -6.197 122 HG3 LYS 15 HG2 LYS 15 -2.180 29.231 -5.140 123 HD2 LYS 15 HD3 LYS 15 -0.409 28.426 -3.539 124 HD3 LYS 15 HD2 LYS 15 0.116 27.311 -4.794 125 HE2 LYS 15 HE3 LYS 15 0.136 30.324 -4.889 126 HE3 LYS 15 HE2 LYS 15 1.512 29.233 -4.853 127 HZ1 LYS 15 HZ1 LYS 15 1.320 29.920 -7.022 128 HZ2 LYS 15 HZ2 LYS 15 -0.328 29.799 -7.097 129 HZ3 LYS 15 HZ3 LYS 15 0.633 28.384 -7.102 130 H CYS 16 H CYS 16 -4.227 25.596 -2.405 131 HA CYS 16 HA CYS 16 -6.812 26.698 -2.964 132 HB2 CYS 16 HB3 CYS 16 -5.771 23.896 -2.615 133 HB3 CYS 16 HB2 CYS 16 -7.401 24.351 -3.075 134 HG CYS 16 HG CYS 16 -6.715 25.370 -5.545 135 H GLY 17 H GLY 17 -4.816 24.915 -0.682 136 HA2 GLY 17 HA3 GLY 17 -5.237 25.822 1.671 137 HA3 GLY 17 HA2 GLY 17 -6.872 25.392 1.244 138 H THR 18 H THR 18 -6.946 23.152 0.282 139 HA THR 18 HA THR 18 -5.399 21.175 1.743 140 HB THR 18 HB THR 18 -7.395 20.102 2.721 141 HG1 THR 18 HG1 THR 18 -9.356 21.447 2.743 142 HG21 THR 18 HG21 THR 18 -7.971 21.792 4.460 143 HG22 THR 18 HG22 THR 18 -7.156 23.005 3.438 144 HG23 THR 18 HG23 THR 18 -6.230 21.696 4.139 145 H GLN 19 H GLN 19 -6.578 18.918 1.144 146 HA GLN 19 HA GLN 19 -6.623 18.799 -1.705 147 HB2 GLN 19 HB3 GLN 19 -7.301 16.678 0.356 148 HB3 GLN 19 HB2 GLN 19 -7.077 16.389 -1.363 149 HG2 GLN 19 HG3 GLN 19 -4.768 17.040 -1.228 150 HG3 GLN 19 HG2 GLN 19 -4.949 17.495 0.459 151 HE21 GLN 19 HE21 GLN 19 -4.680 14.242 1.692 152 HE22 GLN 19 HE22 GLN 19 -5.117 15.876 2.009 153 H TYR 20 H TYR 20 -8.964 19.058 0.807 154 HA TYR 20 HA TYR 20 -11.324 18.370 -0.604 155 HB2 TYR 20 HB3 TYR 20 -11.105 18.777 1.891 156 HB3 TYR 20 HB2 TYR 20 -10.982 20.464 1.520 157 HD1 TYR 20 HD1 TYR 20 -13.316 17.660 0.745 158 HD2 TYR 20 HD2 TYR 20 -12.861 21.797 1.607 159 HE1 TYR 20 HE1 TYR 20 -15.753 17.930 0.697 160 HE2 TYR 20 HE2 TYR 20 -15.304 22.081 1.570 161 HH TYR 20 HH TYR 20 -17.417 19.409 1.576 162 H ASN 21 H ASN 21 -9.882 21.421 0.183 163 HA ASN 21 HA ASN 21 -11.439 23.130 -1.382 164 HB2 ASN 21 HB3 ASN 21 -8.560 23.307 -0.623 165 HB3 ASN 21 HB2 ASN 21 -9.423 24.622 -1.364 166 HD21 ASN 21 HD21 ASN 21 -9.729 25.775 1.944 167 HD22 ASN 21 HD22 ASN 21 -8.934 25.908 0.435 168 H PHE 22 H PHE 22 -8.494 21.384 -2.178 169 HA PHE 22 HA PHE 22 -7.900 22.190 -4.770 170 HB2 PHE 22 HB3 PHE 22 -6.657 20.505 -3.371 171 HB3 PHE 22 HB2 PHE 22 -7.915 19.379 -3.723 172 HD1 PHE 22 HD1 PHE 22 -7.774 17.925 -5.497 173 HD2 PHE 22 HD2 PHE 22 -5.450 21.489 -5.561 174 HE1 PHE 22 HE1 PHE 22 -6.666 17.157 -7.550 175 HE2 PHE 22 HE2 PHE 22 -4.333 20.721 -7.619 176 HZ PHE 22 HZ PHE 22 -4.944 18.556 -8.614 177 H ALA 23 H ALA 23 -9.899 19.550 -3.732 178 HA ALA 23 HA ALA 23 -11.022 18.662 -6.077 179 HB1 ALA 23 HB1 ALA 23 -11.424 17.599 -3.886 180 HB2 ALA 23 HB2 ALA 23 -12.925 17.842 -4.774 181 HB3 ALA 23 HB3 ALA 23 -12.500 18.924 -3.451 182 H ILE 24 H ILE 24 -12.288 21.225 -3.926 183 HA ILE 24 HA ILE 24 -14.554 22.024 -5.280 184 HB ILE 24 HB ILE 24 -12.647 23.773 -3.736 185 HG12 ILE 24 HG13 ILE 24 -13.246 21.787 -2.401 186 HG13 ILE 24 HG12 ILE 24 -13.955 23.242 -1.792 187 HG21 ILE 24 HG21 ILE 24 -14.640 25.113 -3.210 188 HG22 ILE 24 HG22 ILE 24 -15.608 24.071 -4.253 189 HG23 ILE 24 HG23 ILE 24 -14.323 25.062 -4.947 190 HD11 ILE 24 HD11 ILE 24 -15.379 21.164 -3.422 191 HD12 ILE 24 HD12 ILE 24 -16.101 22.624 -2.725 192 HD13 ILE 24 HD13 ILE 24 -15.452 21.362 -1.669 193 H ALA 25 H ALA 25 -11.258 23.308 -5.468 194 HA ALA 25 HA ALA 25 -11.751 25.330 -7.387 195 HB1 ALA 25 HB1 ALA 25 -9.141 24.000 -6.674 196 HB2 ALA 25 HB2 ALA 25 -9.852 25.382 -5.837 197 HB3 ALA 25 HB3 ALA 25 -9.329 25.539 -7.515 198 H MET 26 H MET 26 -10.773 22.009 -7.657 199 HA MET 26 HA MET 26 -10.169 22.130 -10.467 200 HB2 MET 26 HB3 MET 26 -10.369 19.893 -8.483 201 HB3 MET 26 HB2 MET 26 -10.123 19.589 -10.193 202 HG2 MET 26 HG3 MET 26 -8.316 21.316 -8.526 203 HG3 MET 26 HG2 MET 26 -8.058 19.593 -8.791 204 HE1 MET 26 HE1 MET 26 -8.953 19.164 -11.817 205 HE2 MET 26 HE2 MET 26 -7.492 18.504 -11.093 206 HE3 MET 26 HE3 MET 26 -7.394 19.382 -12.616 207 H GLY 27 H GLY 27 -13.027 21.847 -8.696 208 HA2 GLY 27 HA3 GLY 27 -15.213 21.643 -9.502 209 HA3 GLY 27 HA2 GLY 27 -14.553 21.328 -11.104 210 H LEU 28 H LEU 28 -13.612 19.660 -8.222 211 HA LEU 28 HA LEU 28 -14.698 17.178 -9.328 212 HB2 LEU 28 HB3 LEU 28 -12.223 17.650 -7.677 213 HB3 LEU 28 HB2 LEU 28 -12.825 16.087 -8.180 214 HG LEU 28 HG LEU 28 -11.816 18.228 -10.062 215 HD11 LEU 28 HD11 LEU 28 -9.890 16.732 -10.335 216 HD12 LEU 28 HD12 LEU 28 -10.567 15.674 -9.088 217 HD13 LEU 28 HD13 LEU 28 -10.035 17.301 -8.667 218 HD21 LEU 28 HD21 LEU 28 -11.850 16.447 -11.685 219 HD22 LEU 28 HD22 LEU 28 -13.475 16.751 -11.027 220 HD23 LEU 28 HD23 LEU 28 -12.520 15.362 -10.459 221 H SER 29 H SER 29 -14.828 15.574 -7.505 222 HA SER 29 HA SER 29 -15.904 16.848 -5.103 223 HB2 SER 29 HB3 SER 29 -17.399 15.269 -6.502 224 HB3 SER 29 HB2 SER 29 -16.282 13.993 -6.009 225 HG SER 29 HG SER 29 -17.942 15.590 -4.422 226 H GLU 30 H GLU 30 -15.151 15.964 -3.109 227 HA GLU 30 HA GLU 30 -12.413 15.508 -3.171 228 HB2 GLU 30 HB3 GLU 30 -12.558 15.003 -0.737 229 HB3 GLU 30 HB2 GLU 30 -13.153 16.557 -1.268 230 HG2 GLU 30 HG3 GLU 30 -14.379 15.613 0.433 231 HG3 GLU 30 HG2 GLU 30 -15.466 15.783 -0.963 232 H ARG 31 H ARG 31 -14.968 13.256 -3.068 233 HA ARG 31 HA ARG 31 -13.632 11.018 -2.288 234 HB2 ARG 31 HB3 ARG 31 -16.056 11.236 -2.586 235 HB3 ARG 31 HB2 ARG 31 -15.836 11.235 -4.309 236 HG2 ARG 31 HG3 ARG 31 -16.602 9.089 -3.538 237 HG3 ARG 31 HG2 ARG 31 -15.007 8.946 -4.284 238 HD2 ARG 31 HD3 ARG 31 -14.013 8.866 -2.025 239 HD3 ARG 31 HD2 ARG 31 -15.626 9.024 -1.325 240 HE ARG 31 HE ARG 31 -15.615 6.841 -3.054 241 HH11 ARG 31 HH11 ARG 31 -14.212 7.736 0.099 242 HH12 ARG 31 HH12 ARG 31 -14.173 6.132 0.674 243 HH21 ARG 31 HH21 ARG 31 -15.515 4.676 -2.246 244 HH22 ARG 31 HH22 ARG 31 -14.916 4.332 -0.694 245 H THR 32 H THR 32 -14.253 12.378 -5.441 246 HA THR 32 HA THR 32 -13.040 10.402 -7.092 247 HB THR 32 HB THR 32 -13.394 13.286 -7.883 248 HG1 THR 32 HG1 THR 32 -15.511 11.375 -7.762 249 HG21 THR 32 HG21 THR 32 -12.524 11.673 -9.526 250 HG22 THR 32 HG22 THR 32 -14.120 12.264 -9.997 251 HG23 THR 32 HG23 THR 32 -13.947 10.660 -9.285 252 H VAL 33 H VAL 33 -11.992 13.499 -5.715 253 HA VAL 33 HA VAL 33 -9.523 13.712 -6.900 254 HB VAL 33 HB VAL 33 -10.740 14.752 -4.348 255 HG11 VAL 33 HG11 VAL 33 -8.332 14.663 -4.038 256 HG12 VAL 33 HG12 VAL 33 -8.918 16.334 -4.415 257 HG13 VAL 33 HG13 VAL 33 -8.123 15.355 -5.667 258 HG21 VAL 33 HG21 VAL 33 -9.794 15.778 -6.824 259 HG22 VAL 33 HG22 VAL 33 -10.696 16.692 -5.565 260 HG23 VAL 33 HG23 VAL 33 -11.488 15.362 -6.517 261 H SER 34 H SER 34 -10.652 12.055 -4.053 262 HA SER 34 HA SER 34 -8.128 11.808 -3.328 263 HB2 SER 34 HB3 SER 34 -10.510 10.303 -2.275 264 HB3 SER 34 HB2 SER 34 -8.929 10.242 -1.487 265 HG SER 34 HG SER 34 -10.624 12.480 -1.880 266 H LEU 35 H LEU 35 -9.907 10.170 -5.612 267 HA LEU 35 HA LEU 35 -8.486 7.643 -5.553 268 HB2 LEU 35 HB3 LEU 35 -10.412 8.757 -7.600 269 HB3 LEU 35 HB2 LEU 35 -9.803 7.121 -7.563 270 HG LEU 35 HG LEU 35 -11.602 8.370 -5.492 271 HD11 LEU 35 HD11 LEU 35 -13.300 6.837 -6.364 272 HD12 LEU 35 HD12 LEU 35 -12.176 6.307 -7.613 273 HD13 LEU 35 HD13 LEU 35 -12.754 7.974 -7.597 274 HD21 LEU 35 HD21 LEU 35 -10.140 6.701 -4.494 275 HD22 LEU 35 HD22 LEU 35 -10.570 5.546 -5.753 276 HD23 LEU 35 HD23 LEU 35 -11.789 6.085 -4.597 277 H LYS 36 H LYS 36 -8.810 10.508 -7.654 278 HA LYS 36 HA LYS 36 -6.961 9.828 -9.569 279 HB2 LYS 36 HB3 LYS 36 -8.191 12.344 -8.678 280 HB3 LYS 36 HB2 LYS 36 -6.965 12.344 -9.926 281 HG2 LYS 36 HG3 LYS 36 -8.305 11.161 -11.418 282 HG3 LYS 36 HG2 LYS 36 -9.373 10.575 -10.127 283 HD2 LYS 36 HD3 LYS 36 -9.980 12.675 -9.629 284 HD3 LYS 36 HD2 LYS 36 -9.047 13.452 -10.916 285 HE2 LYS 36 HE3 LYS 36 -11.299 11.446 -11.351 286 HE3 LYS 36 HE2 LYS 36 -11.506 13.184 -11.482 287 HZ1 LYS 36 HZ1 LYS 36 -10.008 13.204 -13.394 288 HZ2 LYS 36 HZ2 LYS 36 -11.226 12.077 -13.614 289 HZ3 LYS 36 HZ3 LYS 36 -9.699 11.545 -13.201 290 H LEU 37 H LEU 37 -6.761 11.995 -6.758 291 HA LEU 37 HA LEU 37 -4.040 12.740 -7.325 292 HB2 LEU 37 HB3 LEU 37 -5.654 14.390 -6.721 293 HB3 LEU 37 HB2 LEU 37 -6.037 13.704 -5.202 294 HG LEU 37 HG LEU 37 -3.511 14.050 -4.806 295 HD11 LEU 37 HD11 LEU 37 -2.802 16.187 -5.829 296 HD12 LEU 37 HD12 LEU 37 -4.235 15.988 -6.879 297 HD13 LEU 37 HD13 LEU 37 -2.935 14.783 -6.910 298 HD21 LEU 37 HD21 LEU 37 -4.040 16.238 -3.777 299 HD22 LEU 37 HD22 LEU 37 -5.248 15.004 -3.425 300 HD23 LEU 37 HD23 LEU 37 -5.576 16.236 -4.646 301 H ASN 38 H ASN 38 -5.187 10.080 -6.115 302 HA ASN 38 HA ASN 38 -3.282 10.027 -3.950 303 HB2 ASN 38 HB3 ASN 38 -5.492 9.124 -3.381 304 HB3 ASN 38 HB2 ASN 38 -5.340 7.931 -4.661 305 HD21 ASN 38 HD21 ASN 38 -4.245 5.739 -2.207 306 HD22 ASN 38 HD22 ASN 38 -5.468 6.164 -3.351 307 H ASP 39 H ASP 39 -4.333 7.771 -6.559 308 HA ASP 39 HA ASP 39 -1.802 7.356 -7.698 309 HB2 ASP 39 HB3 ASP 39 -1.153 6.486 -5.515 310 HB3 ASP 39 HB2 ASP 39 -2.444 5.300 -5.576 311 H LYS 40 H LYS 40 -5.239 6.337 -7.496 312 HA LYS 40 HA LYS 40 -4.755 3.925 -8.972 313 HB2 LYS 40 HB3 LYS 40 -7.386 5.223 -8.485 314 HB3 LYS 40 HB2 LYS 40 -6.944 3.601 -8.861 315 HG2 LYS 40 HG3 LYS 40 -5.927 3.230 -6.673 316 HG3 LYS 40 HG2 LYS 40 -6.408 4.858 -6.187 317 HD2 LYS 40 HD3 LYS 40 -8.017 3.259 -5.332 318 HD3 LYS 40 HD2 LYS 40 -8.782 4.234 -6.590 319 HE2 LYS 40 HE3 LYS 40 -8.329 2.382 -8.202 320 HE3 LYS 40 HE2 LYS 40 -7.698 1.426 -6.865 321 HZ1 LYS 40 HZ1 LYS 40 -9.975 0.858 -7.344 322 HZ2 LYS 40 HZ2 LYS 40 -10.479 2.434 -7.149 323 HZ3 LYS 40 HZ3 LYS 40 -9.903 1.566 -5.824 324 H VAL 41 H VAL 41 -5.881 7.207 -9.408 325 HA VAL 41 HA VAL 41 -6.298 6.419 -12.164 326 HB VAL 41 HB VAL 41 -7.984 8.621 -11.367 327 HG11 VAL 41 HG11 VAL 41 -9.591 7.236 -12.527 328 HG12 VAL 41 HG12 VAL 41 -8.415 5.928 -12.260 329 HG13 VAL 41 HG13 VAL 41 -8.003 7.236 -13.404 330 HG21 VAL 41 HG21 VAL 41 -8.481 5.965 -10.167 331 HG22 VAL 41 HG22 VAL 41 -9.596 7.364 -10.104 332 HG23 VAL 41 HG23 VAL 41 -8.008 7.409 -9.271 333 H THR 42 H THR 42 -5.646 7.751 -13.478 334 HA THR 42 HA THR 42 -3.992 9.946 -12.495 335 HB THR 42 HB THR 42 -3.862 8.656 -15.202 336 HG1 THR 42 HG1 THR 42 -3.121 7.828 -12.660 337 HG21 THR 42 HG21 THR 42 -2.635 10.750 -14.917 338 HG22 THR 42 HG22 THR 42 -1.512 9.388 -15.087 339 HG23 THR 42 HG23 THR 42 -1.832 10.087 -13.490 340 H TRP 43 H TRP 43 -3.853 11.782 -13.955 341 HA TRP 43 HA TRP 43 -6.505 12.799 -14.484 342 HB2 TRP 43 HB3 TRP 43 -3.777 14.059 -14.513 343 HB3 TRP 43 HB2 TRP 43 -5.247 14.957 -14.793 344 HD1 TRP 43 HD1 TRP 43 -6.723 15.539 -12.625 345 HE1 TRP 43 HE1 TRP 43 -6.165 15.495 -10.112 346 HE3 TRP 43 HE3 TRP 43 -2.481 12.708 -12.783 347 HZ2 TRP 43 HZ2 TRP 43 -4.172 14.395 -8.409 348 HZ3 TRP 43 HZ3 TRP 43 -1.321 12.207 -10.686 349 HH2 TRP 43 HH2 TRP 43 -2.154 13.033 -8.554 350 H LYS 44 H LYS 44 -7.207 13.495 -16.441 351 HA LYS 44 HA LYS 44 -5.919 12.676 -18.881 352 HB2 LYS 44 HB3 LYS 44 -8.513 13.372 -18.165 353 HB3 LYS 44 HB2 LYS 44 -7.930 14.858 -18.825 354 HG2 LYS 44 HG3 LYS 44 -7.784 12.322 -20.428 355 HG3 LYS 44 HG2 LYS 44 -9.200 13.364 -20.406 356 HD2 LYS 44 HD3 LYS 44 -7.855 15.215 -21.269 357 HD3 LYS 44 HD2 LYS 44 -6.413 14.205 -21.227 358 HE2 LYS 44 HE3 LYS 44 -7.448 12.681 -22.868 359 HE3 LYS 44 HE2 LYS 44 -8.869 13.721 -22.923 360 HZ1 LYS 44 HZ1 LYS 44 -6.122 14.592 -23.631 361 HZ2 LYS 44 HZ2 LYS 44 -7.512 15.494 -23.868 362 HZ3 LYS 44 HZ3 LYS 44 -7.242 14.084 -24.762 363 H ASP 45 H ASP 45 -4.880 14.250 -20.333 364 HA ASP 45 HA ASP 45 -3.264 16.177 -19.234 365 HB2 ASP 45 HB3 ASP 45 -3.042 17.195 -21.526 366 HB3 ASP 45 HB2 ASP 45 -2.797 15.458 -21.486 367 H ASP 46 H ASP 46 -6.525 16.657 -20.344 368 HA ASP 46 HA ASP 46 -6.613 19.465 -20.102 369 HB2 ASP 46 HB3 ASP 46 -8.354 18.279 -21.288 370 HB3 ASP 46 HB2 ASP 46 -8.816 17.423 -19.821 371 H GLU 47 H GLU 47 -6.949 16.903 -17.769 372 HA GLU 47 HA GLU 47 -8.106 18.572 -15.733 373 HB2 GLU 47 HB3 GLU 47 -6.765 15.884 -15.466 374 HB3 GLU 47 HB2 GLU 47 -7.782 16.653 -14.254 375 HG2 GLU 47 HG3 GLU 47 -9.663 16.482 -15.925 376 HG3 GLU 47 HG2 GLU 47 -8.584 15.498 -16.914 377 H ILE 48 H ILE 48 -4.984 17.399 -16.684 378 HA ILE 48 HA ILE 48 -3.486 18.346 -14.498 379 HB ILE 48 HB ILE 48 -2.626 17.943 -17.389 380 HG12 ILE 48 HG13 ILE 48 -2.378 16.119 -14.989 381 HG13 ILE 48 HG12 ILE 48 -3.538 15.925 -16.293 382 HG21 ILE 48 HG21 ILE 48 -0.930 18.201 -14.899 383 HG22 ILE 48 HG22 ILE 48 -1.054 19.391 -16.196 384 HG23 ILE 48 HG23 ILE 48 -0.333 17.812 -16.513 385 HD11 ILE 48 HD11 ILE 48 -1.686 14.393 -16.535 386 HD12 ILE 48 HD12 ILE 48 -0.541 15.735 -16.534 387 HD13 ILE 48 HD13 ILE 48 -1.691 15.555 -17.862 388 H LEU 49 H LEU 49 -4.325 19.839 -17.687 389 HA LEU 49 HA LEU 49 -3.041 22.215 -17.380 390 HB2 LEU 49 HB3 LEU 49 -5.560 21.421 -18.788 391 HB3 LEU 49 HB2 LEU 49 -4.734 22.939 -19.006 392 HG LEU 49 HG LEU 49 -3.607 20.226 -19.653 393 HD11 LEU 49 HD11 LEU 49 -5.410 20.873 -21.162 394 HD12 LEU 49 HD12 LEU 49 -3.855 20.879 -21.985 395 HD13 LEU 49 HD13 LEU 49 -4.597 22.402 -21.492 396 HD21 LEU 49 HD21 LEU 49 -1.839 21.789 -19.038 397 HD22 LEU 49 HD22 LEU 49 -2.482 22.984 -20.163 398 HD23 LEU 49 HD23 LEU 49 -1.799 21.475 -20.773 399 H LYS 50 H LYS 50 -6.243 21.151 -16.227 400 HA LYS 50 HA LYS 50 -7.206 23.607 -15.325 401 HB2 LYS 50 HB3 LYS 50 -7.531 20.901 -14.189 402 HB3 LYS 50 HB2 LYS 50 -8.543 22.262 -13.777 403 HG2 LYS 50 HG3 LYS 50 -8.365 20.993 -16.503 404 HG3 LYS 50 HG2 LYS 50 -9.600 20.582 -15.317 405 HD2 LYS 50 HD3 LYS 50 -10.686 22.057 -16.761 406 HD3 LYS 50 HD2 LYS 50 -10.190 23.109 -15.443 407 HE2 LYS 50 HE3 LYS 50 -8.287 23.899 -16.802 408 HE3 LYS 50 HE2 LYS 50 -8.747 22.785 -18.087 409 HZ1 LYS 50 HZ1 LYS 50 -10.832 23.985 -18.291 410 HZ2 LYS 50 HZ2 LYS 50 -9.515 25.008 -18.515 411 HZ3 LYS 50 HZ3 LYS 50 -10.362 25.057 -17.077 412 H ALA 51 H ALA 51 -5.324 21.100 -13.693 413 HA ALA 51 HA ALA 51 -5.123 22.386 -11.208 414 HB1 ALA 51 HB1 ALA 51 -3.244 20.363 -12.428 415 HB2 ALA 51 HB2 ALA 51 -4.698 19.988 -11.506 416 HB3 ALA 51 HB3 ALA 51 -3.335 20.788 -10.719 417 H VAL 52 H VAL 52 -2.913 22.294 -13.953 418 HA VAL 52 HA VAL 52 -0.778 23.805 -12.959 419 HB VAL 52 HB VAL 52 -1.850 23.634 -15.803 420 HG11 VAL 52 HG11 VAL 52 -0.423 25.616 -15.552 421 HG12 VAL 52 HG12 VAL 52 0.341 24.384 -16.557 422 HG13 VAL 52 HG13 VAL 52 0.863 24.608 -14.890 423 HG21 VAL 52 HG21 VAL 52 -1.169 21.502 -14.870 424 HG22 VAL 52 HG22 VAL 52 0.403 22.178 -14.437 425 HG23 VAL 52 HG23 VAL 52 -0.057 22.020 -16.133 426 H HIS 53 H HIS 53 -3.817 24.876 -14.293 427 HA HIS 53 HA HIS 53 -3.036 27.637 -14.495 428 HB2 HIS 53 HB3 HIS 53 -4.752 26.282 -15.833 429 HB3 HIS 53 HB2 HIS 53 -5.824 26.582 -14.498 430 HD1 HIS 53 HD1 HIS 53 -7.430 28.313 -15.299 431 HD2 HIS 53 HD2 HIS 53 -3.515 29.257 -16.278 432 HE1 HIS 53 HE1 HIS 53 -7.524 30.561 -16.401 433 H VAL 54 H VAL 54 -4.455 25.637 -12.088 434 HA VAL 54 HA VAL 54 -5.616 27.898 -10.625 435 HB VAL 54 HB VAL 54 -5.693 24.915 -10.047 436 HG11 VAL 54 HG11 VAL 54 -5.721 26.145 -7.970 437 HG12 VAL 54 HG12 VAL 54 -7.292 25.422 -8.278 438 HG13 VAL 54 HG13 VAL 54 -7.053 27.163 -8.539 439 HG21 VAL 54 HG21 VAL 54 -7.844 26.821 -10.954 440 HG22 VAL 54 HG22 VAL 54 -8.080 25.118 -10.567 441 HG23 VAL 54 HG23 VAL 54 -7.068 25.581 -11.937 442 H LEU 55 H LEU 55 -3.367 25.199 -10.012 443 HA LEU 55 HA LEU 55 -2.421 26.112 -7.611 444 HB2 LEU 55 HB3 LEU 55 -1.790 24.142 -9.714 445 HB3 LEU 55 HB2 LEU 55 -0.734 24.344 -8.375 446 HG LEU 55 HG LEU 55 -2.278 22.488 -8.264 447 HD11 LEU 55 HD11 LEU 55 -3.045 22.842 -5.894 448 HD12 LEU 55 HD12 LEU 55 -2.659 24.552 -6.078 449 HD13 LEU 55 HD13 LEU 55 -1.378 23.340 -6.164 450 HD21 LEU 55 HD21 LEU 55 -4.660 22.806 -7.581 451 HD22 LEU 55 HD22 LEU 55 -4.284 23.294 -9.233 452 HD23 LEU 55 HD23 LEU 55 -4.465 24.514 -7.973 453 H GLU 56 H GLU 56 -1.776 26.932 -10.864 454 HA GLU 56 HA GLU 56 -0.404 28.298 -11.923 455 HB2 GLU 56 HB3 GLU 56 0.502 29.154 -9.170 456 HB3 GLU 56 HB2 GLU 56 0.879 29.997 -10.667 457 HG2 GLU 56 HG3 GLU 56 -1.387 30.600 -11.002 458 HG3 GLU 56 HG2 GLU 56 -1.932 29.505 -9.733 459 H LEU 57 H LEU 57 0.496 26.417 -12.677 460 HA LEU 57 HA LEU 57 3.210 25.875 -11.692 461 HB2 LEU 57 HB3 LEU 57 1.330 24.032 -12.972 462 HB3 LEU 57 HB2 LEU 57 2.940 23.578 -12.455 463 HG LEU 57 HG LEU 57 0.590 24.289 -10.671 464 HD11 LEU 57 HD11 LEU 57 2.063 21.692 -11.056 465 HD12 LEU 57 HD12 LEU 57 0.434 22.063 -11.623 466 HD13 LEU 57 HD13 LEU 57 0.770 21.983 -9.893 467 HD21 LEU 57 HD21 LEU 57 2.067 23.738 -8.783 468 HD22 LEU 57 HD22 LEU 57 2.657 25.128 -9.687 469 HD23 LEU 57 HD23 LEU 57 3.418 23.552 -9.902 470 H ASN 58 H ASN 58 4.454 24.683 -13.503 471 HA ASN 58 HA ASN 58 3.892 25.950 -16.089 472 HB2 ASN 58 HB3 ASN 58 5.664 27.210 -14.876 473 HB3 ASN 58 HB2 ASN 58 6.561 25.727 -14.646 474 HD21 ASN 58 HD21 ASN 58 8.085 25.861 -17.745 475 HD22 ASN 58 HD22 ASN 58 7.946 25.103 -16.192 476 HA PRO 59 HA PRO 59 4.214 21.877 -17.871 477 HB2 PRO 59 HB3 PRO 59 6.119 22.391 -19.892 478 HB3 PRO 59 HB2 PRO 59 4.364 22.445 -20.051 479 HG2 PRO 59 HG3 PRO 59 6.290 24.663 -19.618 480 HG3 PRO 59 HG2 PRO 59 4.758 24.663 -20.504 481 HD2 PRO 59 HD3 PRO 59 5.016 25.785 -18.078 482 HD3 PRO 59 HD2 PRO 59 3.510 24.980 -18.553 483 H GLN 60 H GLN 60 7.169 23.520 -17.001 484 HA GLN 60 HA GLN 60 8.636 20.995 -17.055 485 HB2 GLN 60 HB3 GLN 60 9.643 23.718 -16.253 486 HB3 GLN 60 HB2 GLN 60 10.618 22.268 -16.454 487 HG2 GLN 60 HG3 GLN 60 9.863 22.200 -18.788 488 HG3 GLN 60 HG2 GLN 60 9.096 23.761 -18.536 489 HE21 GLN 60 HE21 GLN 60 13.109 23.535 -18.987 490 HE22 GLN 60 HE22 GLN 60 12.112 22.139 -18.898 491 H ASP 61 H ASP 61 6.617 22.513 -14.858 492 HA ASP 61 HA ASP 61 7.958 21.587 -12.557 493 HB2 ASP 61 HB3 ASP 61 5.559 23.104 -13.292 494 HB3 ASP 61 HB2 ASP 61 5.631 22.353 -11.724 495 H ILE 62 H ILE 62 5.835 20.541 -14.953 496 HA ILE 62 HA ILE 62 4.052 18.938 -13.676 497 HB ILE 62 HB ILE 62 5.359 18.413 -16.345 498 HG12 ILE 62 HG13 ILE 62 4.224 20.574 -16.297 499 HG13 ILE 62 HG12 ILE 62 3.272 19.405 -17.206 500 HG21 ILE 62 HG21 ILE 62 3.400 17.014 -16.855 501 HG22 ILE 62 HG22 ILE 62 2.812 17.241 -15.211 502 HG23 ILE 62 HG23 ILE 62 4.312 16.360 -15.492 503 HD11 ILE 62 HD11 ILE 62 1.783 19.118 -15.304 504 HD12 ILE 62 HD12 ILE 62 1.859 20.791 -15.844 505 HD13 ILE 62 HD13 ILE 62 2.722 20.303 -14.389 506 HA PRO 63 HA PRO 63 7.068 15.185 -13.525 507 HB2 PRO 63 HB3 PRO 63 9.722 15.562 -13.527 508 HB3 PRO 63 HB2 PRO 63 8.753 15.351 -14.996 509 HG2 PRO 63 HG3 PRO 63 9.819 17.875 -13.819 510 HG3 PRO 63 HG2 PRO 63 9.794 17.354 -15.513 511 HD2 PRO 63 HD3 PRO 63 8.001 19.043 -14.365 512 HD3 PRO 63 HD2 PRO 63 7.615 18.055 -15.808 513 H LYS 64 H LYS 64 7.598 18.141 -12.047 514 HA LYS 64 HA LYS 64 8.894 17.111 -9.661 515 HB2 LYS 64 HB3 LYS 64 7.570 19.805 -9.855 516 HB3 LYS 64 HB2 LYS 64 8.863 19.297 -8.798 517 HG2 LYS 64 HG3 LYS 64 10.266 19.140 -11.010 518 HG3 LYS 64 HG2 LYS 64 8.958 20.082 -11.674 519 HD2 LYS 64 HD3 LYS 64 9.173 21.769 -9.892 520 HD3 LYS 64 HD2 LYS 64 10.546 20.889 -9.237 521 HE2 LYS 64 HE3 LYS 64 11.414 22.718 -10.484 522 HE3 LYS 64 HE2 LYS 64 11.696 21.272 -11.447 523 HZ1 LYS 64 HZ1 LYS 64 10.847 23.238 -12.675 524 HZ2 LYS 64 HZ2 LYS 64 9.385 23.090 -11.844 525 HZ3 LYS 64 HZ3 LYS 64 9.914 21.853 -12.888 526 H TYR 65 H TYR 65 5.699 17.236 -10.845 527 HA TYR 65 HA TYR 65 4.651 17.092 -8.132 528 HB2 TYR 65 HB3 TYR 65 3.495 18.438 -10.548 529 HB3 TYR 65 HB2 TYR 65 2.593 18.108 -9.076 530 HD1 TYR 65 HD1 TYR 65 4.631 20.468 -10.740 531 HD2 TYR 65 HD2 TYR 65 3.694 18.953 -6.927 532 HE1 TYR 65 HE1 TYR 65 5.594 22.501 -9.719 533 HE2 TYR 65 HE2 TYR 65 4.644 20.982 -5.874 534 HH TYR 65 HH TYR 65 6.368 22.667 -6.515 535 H PHE 66 H PHE 66 3.909 16.211 -11.516 536 HA PHE 66 HA PHE 66 1.890 14.403 -10.558 537 HB2 PHE 66 HB3 PHE 66 2.652 15.231 -13.354 538 HB3 PHE 66 HB2 PHE 66 1.357 14.098 -12.984 539 HD1 PHE 66 HD1 PHE 66 -0.700 14.855 -11.942 540 HD2 PHE 66 HD2 PHE 66 2.413 17.601 -12.884 541 HE1 PHE 66 HE1 PHE 66 -2.265 16.727 -11.633 542 HE2 PHE 66 HE2 PHE 66 0.852 19.478 -12.576 543 HZ PHE 66 HZ PHE 66 -1.488 19.044 -11.946 544 H PHE 67 H PHE 67 4.997 13.939 -10.594 545 HA PHE 67 HA PHE 67 4.841 11.313 -11.707 546 HB2 PHE 67 HB3 PHE 67 7.212 13.209 -11.605 547 HB3 PHE 67 HB2 PHE 67 7.383 11.482 -11.779 548 HD1 PHE 67 HD1 PHE 67 5.316 14.175 -13.379 549 HD2 PHE 67 HD2 PHE 67 7.702 10.690 -13.880 550 HE1 PHE 67 HE1 PHE 67 5.039 14.339 -15.818 551 HE2 PHE 67 HE2 PHE 67 7.424 10.845 -16.311 552 HZ PHE 67 HZ PHE 67 6.091 12.670 -17.288 553 H ASN 68 H ASN 68 4.828 9.964 -10.394 554 HA ASN 68 HA ASN 68 5.057 10.099 -7.629 555 HB2 ASN 68 HB3 ASN 68 4.171 8.274 -9.440 556 HB3 ASN 68 HB2 ASN 68 5.660 7.514 -8.870 557 HD21 ASN 68 HD21 ASN 68 2.472 7.832 -6.541 558 HD22 ASN 68 HD22 ASN 68 2.492 8.465 -8.141 559 H ALA 69 H ALA 69 6.801 9.415 -6.241 560 HA ALA 69 HA ALA 69 9.360 9.286 -7.652 561 HB1 ALA 69 HB1 ALA 69 8.826 10.164 -4.810 562 HB2 ALA 69 HB2 ALA 69 9.121 11.248 -6.175 563 HB3 ALA 69 HB3 ALA 69 10.391 10.157 -5.623 564 H LYS 70 H LYS 70 7.403 7.306 -7.085 565 HA LYS 70 HA LYS 70 8.781 5.498 -5.233 566 HB2 LYS 70 HB3 LYS 70 6.100 5.947 -5.646 567 HB3 LYS 70 HB2 LYS 70 6.387 4.562 -6.683 568 HG2 LYS 70 HG3 LYS 70 5.693 3.634 -4.665 569 HG3 LYS 70 HG2 LYS 70 7.442 3.466 -4.627 570 HD2 LYS 70 HD3 LYS 70 6.953 4.266 -2.489 571 HD3 LYS 70 HD2 LYS 70 7.409 5.725 -3.359 572 HE2 LYS 70 HE3 LYS 70 4.558 4.808 -2.855 573 HE3 LYS 70 HE2 LYS 70 5.399 6.015 -1.907 574 HZ1 LYS 70 HZ1 LYS 70 5.451 7.466 -3.905 575 HZ2 LYS 70 HZ2 LYS 70 3.905 7.038 -3.488 576 HZ3 LYS 70 HZ3 LYS 70 4.619 6.312 -4.798 577 H VAL 71 H VAL 71 10.529 4.863 -6.484 578 HA VAL 71 HA VAL 71 9.771 3.537 -8.927 579 HB VAL 71 HB VAL 71 10.834 5.621 -9.583 580 HG11 VAL 71 HG11 VAL 71 12.179 6.105 -7.691 581 HG12 VAL 71 HG12 VAL 71 13.194 6.111 -9.141 582 HG13 VAL 71 HG13 VAL 71 13.232 4.734 -8.034 583 HG21 VAL 71 HG21 VAL 71 11.163 3.745 -11.070 584 HG22 VAL 71 HG22 VAL 71 12.589 3.237 -10.170 585 HG23 VAL 71 HG23 VAL 71 12.609 4.754 -11.071 586 H HIS 72 H HIS 72 9.543 1.865 -7.474 587 HA HIS 72 HA HIS 72 12.030 0.534 -6.731 588 HB2 HIS 72 HB3 HIS 72 10.393 0.773 -4.907 589 HB3 HIS 72 HB2 HIS 72 9.154 0.007 -5.888 590 HD1 HIS 72 HD1 HIS 72 8.986 -2.489 -5.746 591 HD2 HIS 72 HD2 HIS 72 12.481 -1.026 -4.047 592 HE1 HIS 72 HE1 HIS 72 10.021 -4.432 -4.574 Start of MODEL 13 1 H GLY -1 H GLY -1 22.873 16.590 -8.115 2 HA2 GLY -1 HA2 GLY -1 21.326 18.275 -7.387 3 HA3 GLY -1 HA3 GLY -1 20.669 17.332 -8.722 4 H SER 0 H SER 0 19.341 17.951 -6.228 5 HA SER 0 HA SER 0 19.376 15.428 -4.814 6 HB2 SER 0 HB3 SER 0 17.861 17.991 -4.301 7 HB3 SER 0 HB2 SER 0 17.980 16.607 -3.214 8 HG SER 0 HG SER 0 20.238 16.924 -3.209 9 H MET 1 H MET 1 18.032 13.872 -5.497 10 HA MET 1 HA MET 1 15.781 14.577 -7.177 11 HB2 MET 1 HB3 MET 1 17.182 12.686 -7.899 12 HB3 MET 1 HB2 MET 1 16.872 11.863 -6.378 13 HG2 MET 1 HG3 MET 1 14.487 11.723 -6.948 14 HG3 MET 1 HG2 MET 1 14.816 12.517 -8.485 15 HE1 MET 1 HE1 MET 1 17.571 11.177 -9.369 16 HE2 MET 1 HE2 MET 1 16.201 11.410 -10.454 17 HE3 MET 1 HE3 MET 1 16.980 9.829 -10.340 18 H SER 2 H SER 2 14.436 15.539 -5.749 19 HA SER 2 HA SER 2 13.418 13.876 -3.582 20 HB2 SER 2 HB3 SER 2 13.373 16.881 -3.896 21 HB3 SER 2 HB2 SER 2 12.789 15.987 -2.489 22 HG SER 2 HG SER 2 15.202 15.120 -2.840 23 H TYR 3 H TYR 3 11.818 12.794 -4.606 24 HA TYR 3 HA TYR 3 9.713 14.362 -5.885 25 HB2 TYR 3 HB3 TYR 3 11.037 11.835 -6.760 26 HB3 TYR 3 HB2 TYR 3 9.376 12.138 -7.214 27 HD1 TYR 3 HD1 TYR 3 8.842 13.741 -8.885 28 HD2 TYR 3 HD2 TYR 3 12.869 13.250 -7.637 29 HE1 TYR 3 HE1 TYR 3 9.583 14.954 -10.875 30 HE2 TYR 3 HE2 TYR 3 13.629 14.494 -9.621 31 HH TYR 3 HH TYR 3 12.702 14.854 -11.885 32 H ASP 4 H ASP 4 7.852 14.154 -4.883 33 HA ASP 4 HA ASP 4 6.652 11.730 -4.122 34 HB2 ASP 4 HB3 ASP 4 8.234 12.234 -2.108 35 HB3 ASP 4 HB2 ASP 4 7.309 13.702 -1.883 36 H TYR 5 H TYR 5 4.376 12.536 -3.225 37 HA TYR 5 HA TYR 5 3.773 14.910 -4.769 38 HB2 TYR 5 HB3 TYR 5 1.922 13.181 -3.101 39 HB3 TYR 5 HB2 TYR 5 1.423 14.583 -4.024 40 HD1 TYR 5 HD1 TYR 5 2.251 14.446 -6.614 41 HD2 TYR 5 HD2 TYR 5 1.494 11.147 -4.044 42 HE1 TYR 5 HE1 TYR 5 1.804 13.024 -8.574 43 HE2 TYR 5 HE2 TYR 5 1.062 9.724 -5.989 44 HH TYR 5 HH TYR 5 0.238 10.156 -8.408 45 H SER 6 H SER 6 5.120 14.515 -1.913 46 HA SER 6 HA SER 6 3.708 16.120 -0.148 47 HB2 SER 6 HB3 SER 6 5.606 14.662 0.501 48 HB3 SER 6 HB2 SER 6 6.710 15.765 -0.312 49 HG SER 6 HG SER 6 6.769 16.443 1.689 50 H SER 7 H SER 7 6.134 17.059 -2.605 51 HA SER 7 HA SER 7 6.250 19.785 -1.947 52 HB2 SER 7 HB3 SER 7 7.793 18.539 -3.549 53 HB3 SER 7 HB2 SER 7 6.501 18.622 -4.740 54 HG SER 7 HG SER 7 8.228 20.530 -3.827 55 H LEU 8 H LEU 8 4.147 17.926 -4.010 56 HA LEU 8 HA LEU 8 2.593 20.013 -5.107 57 HB2 LEU 8 HB3 LEU 8 2.622 17.769 -6.061 58 HB3 LEU 8 HB2 LEU 8 1.985 17.111 -4.602 59 HG LEU 8 HG LEU 8 -0.143 18.238 -4.930 60 HD11 LEU 8 HD11 LEU 8 1.051 19.258 -7.502 61 HD12 LEU 8 HD12 LEU 8 0.570 20.205 -6.081 62 HD13 LEU 8 HD13 LEU 8 -0.652 19.367 -7.034 63 HD21 LEU 8 HD21 LEU 8 0.148 16.022 -5.791 64 HD22 LEU 8 HD22 LEU 8 0.825 16.671 -7.291 65 HD23 LEU 8 HD23 LEU 8 -0.879 16.953 -6.889 66 H LEU 9 H LEU 9 2.059 17.831 -2.353 67 HA LEU 9 HA LEU 9 -0.307 18.813 -1.577 68 HB2 LEU 9 HB3 LEU 9 1.934 17.605 0.012 69 HB3 LEU 9 HB2 LEU 9 0.329 17.889 0.628 70 HG LEU 9 HG LEU 9 1.060 16.007 -1.612 71 HD11 LEU 9 HD11 LEU 9 0.158 15.455 1.203 72 HD12 LEU 9 HD12 LEU 9 1.774 15.194 0.546 73 HD13 LEU 9 HD13 LEU 9 0.412 14.247 -0.056 74 HD21 LEU 9 HD21 LEU 9 -1.144 16.900 -2.004 75 HD22 LEU 9 HD22 LEU 9 -1.612 16.576 -0.335 76 HD23 LEU 9 HD23 LEU 9 -1.286 15.237 -1.436 77 H GLY 10 H GLY 10 2.972 19.922 -0.807 78 HA2 GLY 10 HA3 GLY 10 2.367 21.844 1.153 79 HA3 GLY 10 HA2 GLY 10 3.755 21.902 0.073 80 H LYS 11 H LYS 11 2.481 22.133 -2.406 81 HA LYS 11 HA LYS 11 1.844 24.866 -2.552 82 HB2 LYS 11 HB3 LYS 11 2.970 23.645 -4.316 83 HB3 LYS 11 HB2 LYS 11 1.628 22.527 -4.438 84 HG2 LYS 11 HG3 LYS 11 1.717 24.095 -6.233 85 HG3 LYS 11 HG2 LYS 11 0.223 24.213 -5.273 86 HD2 LYS 11 HD3 LYS 11 1.011 26.477 -5.823 87 HD3 LYS 11 HD2 LYS 11 1.172 26.184 -4.106 88 HE2 LYS 11 HE3 LYS 11 3.555 25.733 -4.376 89 HE3 LYS 11 HE2 LYS 11 3.415 25.968 -6.118 90 HZ1 LYS 11 HZ1 LYS 11 2.843 28.254 -5.758 91 HZ2 LYS 11 HZ2 LYS 11 4.255 27.957 -4.906 92 HZ3 LYS 11 HZ3 LYS 11 2.765 28.049 -4.104 93 H ILE 12 H ILE 12 -0.019 21.893 -2.555 94 HA ILE 12 HA ILE 12 -2.546 23.018 -2.982 95 HB ILE 12 HB ILE 12 -1.756 20.486 -1.515 96 HG12 ILE 12 HG13 ILE 12 -2.800 20.940 -4.319 97 HG13 ILE 12 HG12 ILE 12 -1.145 20.547 -3.886 98 HG21 ILE 12 HG21 ILE 12 -4.087 19.761 -1.788 99 HG22 ILE 12 HG22 ILE 12 -4.492 21.364 -2.412 100 HG23 ILE 12 HG23 ILE 12 -3.946 21.178 -0.746 101 HD11 ILE 12 HD11 ILE 12 -3.534 18.768 -3.448 102 HD12 ILE 12 HD12 ILE 12 -1.853 18.378 -3.069 103 HD13 ILE 12 HD13 ILE 12 -2.348 18.614 -4.743 104 H THR 13 H THR 13 -0.730 22.429 -0.015 105 HA THR 13 HA THR 13 -2.739 23.165 1.822 106 HB THR 13 HB THR 13 0.269 23.397 2.205 107 HG1 THR 13 HG1 THR 13 -0.341 21.284 1.509 108 HG21 THR 13 HG21 THR 13 -2.011 23.004 4.161 109 HG22 THR 13 HG22 THR 13 -1.025 24.452 3.992 110 HG23 THR 13 HG23 THR 13 -0.298 22.952 4.588 111 H GLU 14 H GLU 14 -0.602 24.999 -0.158 112 HA GLU 14 HA GLU 14 -0.636 27.410 1.269 113 HB2 GLU 14 HB3 GLU 14 1.138 26.561 -0.162 114 HB3 GLU 14 HB2 GLU 14 0.054 26.601 -1.502 115 HG2 GLU 14 HG3 GLU 14 -0.193 28.908 -1.389 116 HG3 GLU 14 HG2 GLU 14 0.927 29.051 -0.021 117 H LYS 15 H LYS 15 -2.182 26.093 -1.588 118 HA LYS 15 HA LYS 15 -3.455 28.621 -2.130 119 HB2 LYS 15 HB3 LYS 15 -2.492 26.401 -3.531 120 HB3 LYS 15 HB2 LYS 15 -4.196 26.634 -3.887 121 HG2 LYS 15 HG3 LYS 15 -2.792 27.910 -5.489 122 HG3 LYS 15 HG2 LYS 15 -3.613 29.048 -4.415 123 HD2 LYS 15 HD3 LYS 15 -1.554 28.990 -2.957 124 HD3 LYS 15 HD2 LYS 15 -0.768 28.083 -4.240 125 HE2 LYS 15 HE3 LYS 15 -1.904 30.864 -4.464 126 HE3 LYS 15 HE2 LYS 15 -0.200 30.434 -4.355 127 HZ1 LYS 15 HZ1 LYS 15 -0.407 29.280 -6.477 128 HZ2 LYS 15 HZ2 LYS 15 -0.886 30.897 -6.628 129 HZ3 LYS 15 HZ3 LYS 15 -2.044 29.697 -6.545 130 H CYS 16 H CYS 16 -4.266 25.338 -1.203 131 HA CYS 16 HA CYS 16 -7.048 26.012 -1.426 132 HB2 CYS 16 HB3 CYS 16 -5.514 23.444 -1.478 133 HB3 CYS 16 HB2 CYS 16 -7.253 23.592 -1.572 134 HG CYS 16 HG CYS 16 -6.816 25.350 -3.945 135 H GLY 17 H GLY 17 -4.505 24.425 0.445 136 HA2 GLY 17 HA3 GLY 17 -4.748 24.901 2.949 137 HA3 GLY 17 HA2 GLY 17 -6.385 24.436 2.620 138 H THR 18 H THR 18 -6.613 22.373 1.516 139 HA THR 18 HA THR 18 -4.820 20.292 2.562 140 HB THR 18 HB THR 18 -6.668 19.035 3.545 141 HG1 THR 18 HG1 THR 18 -8.623 20.819 3.588 142 HG21 THR 18 HG21 THR 18 -6.646 21.913 4.381 143 HG22 THR 18 HG22 THR 18 -5.602 20.648 5.017 144 HG23 THR 18 HG23 THR 18 -7.346 20.624 5.370 145 H GLN 19 H GLN 19 -5.857 18.064 1.794 146 HA GLN 19 HA GLN 19 -5.930 18.153 -1.042 147 HB2 GLN 19 HB3 GLN 19 -6.563 15.870 0.839 148 HB3 GLN 19 HB2 GLN 19 -6.266 15.721 -0.888 149 HG2 GLN 19 HG3 GLN 19 -3.989 16.526 -0.575 150 HG3 GLN 19 HG2 GLN 19 -4.282 16.709 1.152 151 HE21 GLN 19 HE21 GLN 19 -3.910 13.328 1.908 152 HE22 GLN 19 HE22 GLN 19 -4.480 14.863 2.415 153 H TYR 20 H TYR 20 -8.329 18.028 1.478 154 HA TYR 20 HA TYR 20 -10.595 17.314 -0.053 155 HB2 TYR 20 HB3 TYR 20 -10.411 17.434 2.457 156 HB3 TYR 20 HB2 TYR 20 -10.426 19.163 2.307 157 HD1 TYR 20 HD1 TYR 20 -12.507 16.317 1.080 158 HD2 TYR 20 HD2 TYR 20 -12.407 20.245 2.689 159 HE1 TYR 20 HE1 TYR 20 -14.961 16.347 1.134 160 HE2 TYR 20 HE2 TYR 20 -14.860 20.292 2.745 161 HH TYR 20 HH TYR 20 -16.705 17.446 2.234 162 H ASN 21 H ASN 21 -9.386 20.344 1.107 163 HA ASN 21 HA ASN 21 -11.045 22.153 -0.201 164 HB2 ASN 21 HB3 ASN 21 -8.142 22.396 0.446 165 HB3 ASN 21 HB2 ASN 21 -9.132 23.737 -0.045 166 HD21 ASN 21 HD21 ASN 21 -9.226 24.327 3.446 167 HD22 ASN 21 HD22 ASN 21 -8.551 24.773 1.933 168 H PHE 22 H PHE 22 -8.033 20.684 -1.281 169 HA PHE 22 HA PHE 22 -7.558 21.877 -3.747 170 HB2 PHE 22 HB3 PHE 22 -6.156 20.108 -2.669 171 HB3 PHE 22 HB2 PHE 22 -7.373 18.955 -3.086 172 HD1 PHE 22 HD1 PHE 22 -7.294 17.769 -5.042 173 HD2 PHE 22 HD2 PHE 22 -5.129 21.403 -4.761 174 HE1 PHE 22 HE1 PHE 22 -6.289 17.321 -7.243 175 HE2 PHE 22 HE2 PHE 22 -4.113 20.966 -6.965 176 HZ PHE 22 HZ PHE 22 -4.693 18.927 -8.207 177 H ALA 23 H ALA 23 -9.326 18.963 -3.098 178 HA ALA 23 HA ALA 23 -10.386 18.428 -5.558 179 HB1 ALA 23 HB1 ALA 23 -10.585 16.878 -3.702 180 HB2 ALA 23 HB2 ALA 23 -12.178 17.167 -4.403 181 HB3 ALA 23 HB3 ALA 23 -11.723 17.954 -2.892 182 H ILE 24 H ILE 24 -11.772 20.414 -2.919 183 HA ILE 24 HA ILE 24 -14.186 21.234 -3.980 184 HB ILE 24 HB ILE 24 -12.301 22.803 -2.233 185 HG12 ILE 24 HG13 ILE 24 -12.780 20.567 -1.316 186 HG13 ILE 24 HG12 ILE 24 -13.454 21.850 -0.367 187 HG21 ILE 24 HG21 ILE 24 -14.060 24.221 -3.120 188 HG22 ILE 24 HG22 ILE 24 -14.318 23.939 -1.399 189 HG23 ILE 24 HG23 ILE 24 -15.287 23.071 -2.587 190 HD11 ILE 24 HD11 ILE 24 -15.654 21.381 -1.314 191 HD12 ILE 24 HD12 ILE 24 -14.929 19.980 -0.515 192 HD13 ILE 24 HD13 ILE 24 -14.941 20.079 -2.282 193 H ALA 25 H ALA 25 -11.041 22.869 -4.037 194 HA ALA 25 HA ALA 25 -11.831 25.129 -5.473 195 HB1 ALA 25 HB1 ALA 25 -9.069 23.971 -5.169 196 HB2 ALA 25 HB2 ALA 25 -9.859 25.070 -4.037 197 HB3 ALA 25 HB3 ALA 25 -9.456 25.618 -5.664 198 H MET 26 H MET 26 -10.348 22.068 -6.570 199 HA MET 26 HA MET 26 -9.968 22.876 -9.220 200 HB2 MET 26 HB3 MET 26 -8.973 20.937 -7.841 201 HB3 MET 26 HB2 MET 26 -10.463 20.111 -8.305 202 HG2 MET 26 HG3 MET 26 -10.032 20.485 -10.575 203 HG3 MET 26 HG2 MET 26 -8.582 21.407 -10.165 204 HE1 MET 26 HE1 MET 26 -6.956 18.359 -11.830 205 HE2 MET 26 HE2 MET 26 -7.028 20.123 -11.661 206 HE3 MET 26 HE3 MET 26 -8.417 19.255 -12.281 207 H GLY 27 H GLY 27 -12.597 21.404 -7.444 208 HA2 GLY 27 HA3 GLY 27 -14.870 21.742 -8.107 209 HA3 GLY 27 HA2 GLY 27 -14.334 21.816 -9.782 210 H LEU 28 H LEU 28 -13.040 19.401 -7.682 211 HA LEU 28 HA LEU 28 -14.558 17.358 -9.148 212 HB2 LEU 28 HB3 LEU 28 -11.730 17.504 -8.239 213 HB3 LEU 28 HB2 LEU 28 -12.511 15.943 -8.237 214 HG LEU 28 HG LEU 28 -12.866 16.091 -10.643 215 HD11 LEU 28 HD11 LEU 28 -11.457 18.741 -10.490 216 HD12 LEU 28 HD12 LEU 28 -13.176 18.477 -10.781 217 HD13 LEU 28 HD13 LEU 28 -11.994 17.911 -11.966 218 HD21 LEU 28 HD21 LEU 28 -10.793 15.143 -9.813 219 HD22 LEU 28 HD22 LEU 28 -10.037 16.739 -9.844 220 HD23 LEU 28 HD23 LEU 28 -10.540 15.969 -11.349 221 H SER 29 H SER 29 -15.207 15.548 -7.992 222 HA SER 29 HA SER 29 -15.992 15.953 -5.324 223 HB2 SER 29 HB3 SER 29 -15.623 13.383 -6.812 224 HB3 SER 29 HB2 SER 29 -16.661 13.621 -5.401 225 HG SER 29 HG SER 29 -17.947 14.981 -6.610 226 H GLU 30 H GLU 30 -15.131 14.958 -3.414 227 HA GLU 30 HA GLU 30 -12.402 15.158 -3.048 228 HB2 GLU 30 HB3 GLU 30 -13.905 15.211 -1.169 229 HB3 GLU 30 HB2 GLU 30 -14.422 13.558 -1.479 230 HG2 GLU 30 HG3 GLU 30 -12.079 12.826 -1.052 231 HG3 GLU 30 HG2 GLU 30 -11.716 14.473 -0.548 232 H ARG 31 H ARG 31 -14.348 12.274 -3.624 233 HA ARG 31 HA ARG 31 -12.150 10.536 -3.438 234 HB2 ARG 31 HB3 ARG 31 -14.969 10.307 -3.795 235 HB3 ARG 31 HB2 ARG 31 -14.117 9.170 -4.830 236 HG2 ARG 31 HG3 ARG 31 -14.665 8.145 -2.678 237 HG3 ARG 31 HG2 ARG 31 -12.926 8.275 -2.893 238 HD2 ARG 31 HD3 ARG 31 -12.964 10.325 -1.460 239 HD3 ARG 31 HD2 ARG 31 -14.683 10.047 -1.180 240 HE ARG 31 HE ARG 31 -13.236 7.714 -0.621 241 HH11 ARG 31 HH11 ARG 31 -13.789 10.946 0.935 242 HH12 ARG 31 HH12 ARG 31 -13.497 10.322 2.460 243 HH21 ARG 31 HH21 ARG 31 -12.859 6.995 1.541 244 HH22 ARG 31 HH22 ARG 31 -13.006 8.089 2.840 245 H THR 32 H THR 32 -13.354 12.404 -6.090 246 HA THR 32 HA THR 32 -12.233 10.775 -8.148 247 HB THR 32 HB THR 32 -12.519 13.799 -8.236 248 HG1 THR 32 HG1 THR 32 -14.467 11.767 -8.648 249 HG21 THR 32 HG21 THR 32 -11.371 12.723 -10.164 250 HG22 THR 32 HG22 THR 32 -12.919 13.409 -10.636 251 HG23 THR 32 HG23 THR 32 -12.767 11.672 -10.387 252 H VAL 33 H VAL 33 -11.086 13.595 -6.315 253 HA VAL 33 HA VAL 33 -8.488 13.606 -7.231 254 HB VAL 33 HB VAL 33 -9.946 14.749 -4.858 255 HG11 VAL 33 HG11 VAL 33 -7.045 15.090 -5.640 256 HG12 VAL 33 HG12 VAL 33 -7.613 14.287 -4.136 257 HG13 VAL 33 HG13 VAL 33 -8.003 16.012 -4.464 258 HG21 VAL 33 HG21 VAL 33 -9.364 16.683 -6.012 259 HG22 VAL 33 HG22 VAL 33 -10.101 15.443 -7.139 260 HG23 VAL 33 HG23 VAL 33 -8.313 15.611 -6.957 261 H SER 34 H SER 34 -10.069 12.038 -4.576 262 HA SER 34 HA SER 34 -7.672 11.390 -3.658 263 HB2 SER 34 HB3 SER 34 -10.299 10.175 -2.828 264 HB3 SER 34 HB2 SER 34 -8.797 9.935 -1.945 265 HG SER 34 HG SER 34 -10.036 12.432 -2.484 266 H LEU 35 H LEU 35 -9.563 9.944 -6.126 267 HA LEU 35 HA LEU 35 -8.163 7.418 -6.005 268 HB2 LEU 35 HB3 LEU 35 -10.169 8.451 -8.005 269 HB3 LEU 35 HB2 LEU 35 -9.435 6.861 -8.062 270 HG LEU 35 HG LEU 35 -11.274 7.903 -5.907 271 HD11 LEU 35 HD11 LEU 35 -11.690 5.808 -8.013 272 HD12 LEU 35 HD12 LEU 35 -12.444 7.403 -7.938 273 HD13 LEU 35 HD13 LEU 35 -12.807 6.195 -6.706 274 HD21 LEU 35 HD21 LEU 35 -9.633 6.404 -4.927 275 HD22 LEU 35 HD22 LEU 35 -9.954 5.209 -6.185 276 HD23 LEU 35 HD23 LEU 35 -11.206 5.611 -5.011 277 H LYS 36 H LYS 36 -8.282 10.301 -8.100 278 HA LYS 36 HA LYS 36 -6.519 9.509 -10.034 279 HB2 LYS 36 HB3 LYS 36 -7.493 12.081 -9.051 280 HB3 LYS 36 HB2 LYS 36 -6.159 12.051 -10.199 281 HG2 LYS 36 HG3 LYS 36 -7.436 10.869 -11.784 282 HG3 LYS 36 HG2 LYS 36 -8.739 10.575 -10.629 283 HD2 LYS 36 HD3 LYS 36 -8.972 12.847 -10.414 284 HD3 LYS 36 HD2 LYS 36 -7.824 13.235 -11.709 285 HE2 LYS 36 HE3 LYS 36 -9.299 11.728 -13.216 286 HE3 LYS 36 HE2 LYS 36 -10.483 11.784 -11.933 287 HZ1 LYS 36 HZ1 LYS 36 -10.644 14.210 -12.227 288 HZ2 LYS 36 HZ2 LYS 36 -10.993 13.394 -13.619 289 HZ3 LYS 36 HZ3 LYS 36 -9.516 14.156 -13.478 290 H LEU 37 H LEU 37 -6.022 11.173 -7.018 291 HA LEU 37 HA LEU 37 -3.216 11.412 -7.497 292 HB2 LEU 37 HB3 LEU 37 -4.107 13.285 -6.578 293 HB3 LEU 37 HB2 LEU 37 -5.139 12.540 -5.439 294 HG LEU 37 HG LEU 37 -2.292 12.330 -5.220 295 HD11 LEU 37 HD11 LEU 37 -2.734 14.706 -5.603 296 HD12 LEU 37 HD12 LEU 37 -2.334 14.521 -3.890 297 HD13 LEU 37 HD13 LEU 37 -4.022 14.695 -4.399 298 HD21 LEU 37 HD21 LEU 37 -4.484 12.497 -3.159 299 HD22 LEU 37 HD22 LEU 37 -2.769 12.385 -2.759 300 HD23 LEU 37 HD23 LEU 37 -3.562 11.064 -3.619 301 H ASN 38 H ASN 38 -5.243 9.043 -6.300 302 HA ASN 38 HA ASN 38 -3.474 8.208 -4.208 303 HB2 ASN 38 HB3 ASN 38 -5.950 8.038 -3.982 304 HB3 ASN 38 HB2 ASN 38 -5.902 6.725 -5.134 305 HD21 ASN 38 HD21 ASN 38 -4.865 4.335 -2.815 306 HD22 ASN 38 HD22 ASN 38 -5.233 4.685 -4.462 307 H ASP 39 H ASP 39 -4.771 6.634 -7.193 308 HA ASP 39 HA ASP 39 -2.310 5.229 -7.647 309 HB2 ASP 39 HB3 ASP 39 -2.839 2.971 -7.039 310 HB3 ASP 39 HB2 ASP 39 -3.090 3.983 -5.624 311 H LYS 40 H LYS 40 -5.821 5.511 -8.464 312 HA LYS 40 HA LYS 40 -5.595 3.394 -10.373 313 HB2 LYS 40 HB3 LYS 40 -7.890 5.229 -10.033 314 HB3 LYS 40 HB2 LYS 40 -7.813 3.581 -10.584 315 HG2 LYS 40 HG3 LYS 40 -7.003 2.834 -8.373 316 HG3 LYS 40 HG2 LYS 40 -7.371 4.436 -7.758 317 HD2 LYS 40 HD3 LYS 40 -9.720 4.098 -8.303 318 HD3 LYS 40 HD2 LYS 40 -9.335 2.495 -8.954 319 HE2 LYS 40 HE3 LYS 40 -8.949 3.424 -6.112 320 HE3 LYS 40 HE2 LYS 40 -10.121 2.243 -6.689 321 HZ1 LYS 40 HZ1 LYS 40 -8.270 0.794 -7.321 322 HZ2 LYS 40 HZ2 LYS 40 -8.217 1.177 -5.687 323 HZ3 LYS 40 HZ3 LYS 40 -7.151 1.928 -6.746 324 H VAL 41 H VAL 41 -5.430 6.843 -10.324 325 HA VAL 41 HA VAL 41 -5.677 6.600 -13.189 326 HB VAL 41 HB VAL 41 -6.599 9.142 -12.165 327 HG11 VAL 41 HG11 VAL 41 -7.799 6.958 -13.611 328 HG12 VAL 41 HG12 VAL 41 -6.814 8.218 -14.421 329 HG13 VAL 41 HG13 VAL 41 -8.424 8.610 -13.702 330 HG21 VAL 41 HG21 VAL 41 -8.265 6.735 -11.488 331 HG22 VAL 41 HG22 VAL 41 -8.741 8.429 -11.285 332 HG23 VAL 41 HG23 VAL 41 -7.438 7.738 -10.298 333 H THR 42 H THR 42 -4.971 8.743 -14.107 334 HA THR 42 HA THR 42 -2.700 9.876 -12.712 335 HB THR 42 HB THR 42 -1.560 9.840 -15.026 336 HG1 THR 42 HG1 THR 42 -2.998 9.176 -16.410 337 HG21 THR 42 HG21 THR 42 -0.749 8.443 -13.167 338 HG22 THR 42 HG22 THR 42 -0.624 7.575 -14.697 339 HG23 THR 42 HG23 THR 42 -1.938 7.207 -13.580 340 H TRP 43 H TRP 43 -1.993 11.836 -14.263 341 HA TRP 43 HA TRP 43 -4.504 13.228 -14.677 342 HB2 TRP 43 HB3 TRP 43 -1.703 14.251 -14.235 343 HB3 TRP 43 HB2 TRP 43 -3.082 15.282 -14.602 344 HD1 TRP 43 HD1 TRP 43 -4.857 15.691 -12.661 345 HE1 TRP 43 HE1 TRP 43 -4.772 15.305 -10.131 346 HE3 TRP 43 HE3 TRP 43 -0.769 12.630 -12.439 347 HZ2 TRP 43 HZ2 TRP 43 -3.187 13.891 -8.275 348 HZ3 TRP 43 HZ3 TRP 43 -0.039 11.804 -10.246 349 HH2 TRP 43 HH2 TRP 43 -1.217 12.421 -8.210 350 H LYS 44 H LYS 44 -5.203 13.604 -16.626 351 HA LYS 44 HA LYS 44 -3.596 13.198 -18.956 352 HB2 LYS 44 HB3 LYS 44 -6.335 14.458 -18.600 353 HB3 LYS 44 HB2 LYS 44 -5.574 14.104 -20.131 354 HG2 LYS 44 HG3 LYS 44 -6.329 12.034 -18.082 355 HG3 LYS 44 HG2 LYS 44 -7.292 12.466 -19.498 356 HD2 LYS 44 HD3 LYS 44 -5.357 11.837 -20.923 357 HD3 LYS 44 HD2 LYS 44 -4.526 11.268 -19.475 358 HE2 LYS 44 HE3 LYS 44 -6.338 9.686 -19.052 359 HE3 LYS 44 HE2 LYS 44 -7.174 10.251 -20.495 360 HZ1 LYS 44 HZ1 LYS 44 -5.277 9.481 -21.820 361 HZ2 LYS 44 HZ2 LYS 44 -5.979 8.231 -20.960 362 HZ3 LYS 44 HZ3 LYS 44 -4.524 8.903 -20.427 363 H ASP 45 H ASP 45 -3.582 15.118 -20.579 364 HA ASP 45 HA ASP 45 -2.013 17.064 -19.370 365 HB2 ASP 45 HB3 ASP 45 -3.175 16.817 -22.002 366 HB3 ASP 45 HB2 ASP 45 -2.318 18.322 -21.636 367 H ASP 46 H ASP 46 -5.332 17.186 -20.360 368 HA ASP 46 HA ASP 46 -5.730 19.920 -19.820 369 HB2 ASP 46 HB3 ASP 46 -7.375 18.547 -21.074 370 HB3 ASP 46 HB2 ASP 46 -7.782 17.719 -19.573 371 H GLU 47 H GLU 47 -5.730 17.114 -17.773 372 HA GLU 47 HA GLU 47 -7.039 18.262 -15.488 373 HB2 GLU 47 HB3 GLU 47 -4.955 16.059 -15.494 374 HB3 GLU 47 HB2 GLU 47 -6.101 16.415 -14.216 375 HG2 GLU 47 HG3 GLU 47 -6.825 15.442 -16.958 376 HG3 GLU 47 HG2 GLU 47 -6.652 14.407 -15.546 377 H ILE 48 H ILE 48 -3.747 17.824 -16.541 378 HA ILE 48 HA ILE 48 -2.366 18.955 -14.387 379 HB ILE 48 HB ILE 48 -1.598 18.956 -17.327 380 HG12 ILE 48 HG13 ILE 48 -0.917 16.959 -15.148 381 HG13 ILE 48 HG12 ILE 48 -2.051 16.693 -16.459 382 HG21 ILE 48 HG21 ILE 48 0.122 19.292 -14.874 383 HG22 ILE 48 HG22 ILE 48 -0.267 20.543 -16.055 384 HG23 ILE 48 HG23 ILE 48 0.715 19.156 -16.529 385 HD11 ILE 48 HD11 ILE 48 0.914 17.139 -16.755 386 HD12 ILE 48 HD12 ILE 48 -0.222 16.859 -18.074 387 HD13 ILE 48 HD13 ILE 48 0.073 15.594 -16.882 388 H LEU 49 H LEU 49 -3.448 20.426 -17.504 389 HA LEU 49 HA LEU 49 -2.518 22.945 -17.081 390 HB2 LEU 49 HB3 LEU 49 -4.820 21.910 -18.690 391 HB3 LEU 49 HB2 LEU 49 -4.079 23.485 -18.825 392 HG LEU 49 HG LEU 49 -2.669 20.895 -19.349 393 HD11 LEU 49 HD11 LEU 49 -4.402 21.285 -21.002 394 HD12 LEU 49 HD12 LEU 49 -2.809 21.520 -21.725 395 HD13 LEU 49 HD13 LEU 49 -3.794 22.915 -21.280 396 HD21 LEU 49 HD21 LEU 49 -1.136 22.649 -18.652 397 HD22 LEU 49 HD22 LEU 49 -1.832 23.758 -19.832 398 HD23 LEU 49 HD23 LEU 49 -0.942 22.337 -20.377 399 H LYS 50 H LYS 50 -5.568 21.441 -16.040 400 HA LYS 50 HA LYS 50 -6.733 23.870 -15.340 401 HB2 LYS 50 HB3 LYS 50 -7.252 21.087 -14.487 402 HB3 LYS 50 HB2 LYS 50 -8.305 22.424 -14.029 403 HG2 LYS 50 HG3 LYS 50 -7.702 21.533 -16.855 404 HG3 LYS 50 HG2 LYS 50 -9.177 21.153 -15.968 405 HD2 LYS 50 HD3 LYS 50 -9.952 23.340 -16.070 406 HD3 LYS 50 HD2 LYS 50 -8.377 24.043 -16.371 407 HE2 LYS 50 HE3 LYS 50 -9.717 24.107 -18.373 408 HE3 LYS 50 HE2 LYS 50 -8.332 23.028 -18.549 409 HZ1 LYS 50 HZ1 LYS 50 -11.049 22.067 -17.867 410 HZ2 LYS 50 HZ2 LYS 50 -9.727 21.136 -18.437 411 HZ3 LYS 50 HZ3 LYS 50 -10.499 22.205 -19.445 412 H ALA 51 H ALA 51 -4.860 21.477 -13.552 413 HA ALA 51 HA ALA 51 -4.982 22.744 -11.030 414 HB1 ALA 51 HB1 ALA 51 -2.751 21.048 -12.180 415 HB2 ALA 51 HB2 ALA 51 -4.165 20.430 -11.327 416 HB3 ALA 51 HB3 ALA 51 -2.983 21.427 -10.475 417 H VAL 52 H VAL 52 -2.801 23.082 -13.754 418 HA VAL 52 HA VAL 52 -0.946 24.916 -12.845 419 HB VAL 52 HB VAL 52 -2.187 24.686 -15.618 420 HG11 VAL 52 HG11 VAL 52 0.328 26.165 -14.824 421 HG12 VAL 52 HG12 VAL 52 -1.173 26.905 -15.375 422 HG13 VAL 52 HG13 VAL 52 -0.235 25.894 -16.475 423 HG21 VAL 52 HG21 VAL 52 0.422 23.705 -14.506 424 HG22 VAL 52 HG22 VAL 52 -0.126 23.501 -16.169 425 HG23 VAL 52 HG23 VAL 52 -0.991 22.707 -14.848 426 H HIS 53 H HIS 53 -4.274 25.529 -13.794 427 HA HIS 53 HA HIS 53 -3.863 28.362 -13.732 428 HB2 HIS 53 HB3 HIS 53 -6.048 26.545 -14.536 429 HB3 HIS 53 HB2 HIS 53 -6.383 28.237 -14.223 430 HD1 HIS 53 HD1 HIS 53 -4.795 25.920 -16.676 431 HD2 HIS 53 HD2 HIS 53 -5.097 30.020 -16.075 432 HE1 HIS 53 HE1 HIS 53 -3.978 26.974 -18.783 433 H VAL 54 H VAL 54 -5.083 25.917 -11.595 434 HA VAL 54 HA VAL 54 -6.626 27.903 -10.113 435 HB VAL 54 HB VAL 54 -6.312 24.913 -9.644 436 HG11 VAL 54 HG11 VAL 54 -6.799 26.065 -7.567 437 HG12 VAL 54 HG12 VAL 54 -8.201 25.136 -8.084 438 HG13 VAL 54 HG13 VAL 54 -8.175 26.891 -8.306 439 HG21 VAL 54 HG21 VAL 54 -7.538 25.375 -11.686 440 HG22 VAL 54 HG22 VAL 54 -8.601 26.483 -10.825 441 HG23 VAL 54 HG23 VAL 54 -8.638 24.758 -10.452 442 H LEU 55 H LEU 55 -4.307 25.320 -9.277 443 HA LEU 55 HA LEU 55 -3.487 26.313 -6.871 444 HB2 LEU 55 HB3 LEU 55 -2.702 24.350 -8.924 445 HB3 LEU 55 HB2 LEU 55 -1.624 24.681 -7.632 446 HG LEU 55 HG LEU 55 -3.092 22.718 -7.496 447 HD11 LEU 55 HD11 LEU 55 -3.295 24.747 -5.232 448 HD12 LEU 55 HD12 LEU 55 -1.992 23.578 -5.464 449 HD13 LEU 55 HD13 LEU 55 -3.606 23.024 -5.027 450 HD21 LEU 55 HD21 LEU 55 -5.399 22.972 -6.602 451 HD22 LEU 55 HD22 LEU 55 -5.196 23.563 -8.251 452 HD23 LEU 55 HD23 LEU 55 -5.271 24.705 -6.905 453 H GLU 56 H GLU 56 -2.654 26.982 -10.108 454 HA GLU 56 HA GLU 56 -1.200 28.237 -11.188 455 HB2 GLU 56 HB3 GLU 56 -0.475 29.344 -8.489 456 HB3 GLU 56 HB2 GLU 56 0.206 29.927 -9.999 457 HG2 GLU 56 HG3 GLU 56 -2.091 30.507 -10.713 458 HG3 GLU 56 HG2 GLU 56 -2.649 30.055 -9.097 459 H LEU 57 H LEU 57 -0.013 26.841 -12.039 460 HA LEU 57 HA LEU 57 2.598 26.283 -10.826 461 HB2 LEU 57 HB3 LEU 57 0.970 24.435 -12.414 462 HB3 LEU 57 HB2 LEU 57 2.564 24.076 -11.818 463 HG LEU 57 HG LEU 57 0.112 24.427 -10.065 464 HD11 LEU 57 HD11 LEU 57 0.003 22.372 -11.371 465 HD12 LEU 57 HD12 LEU 57 0.293 22.022 -9.666 466 HD13 LEU 57 HD13 LEU 57 1.622 21.929 -10.823 467 HD21 LEU 57 HD21 LEU 57 2.173 25.093 -8.935 468 HD22 LEU 57 HD22 LEU 57 2.925 23.562 -9.388 469 HD23 LEU 57 HD23 LEU 57 1.560 23.576 -8.273 470 H ASN 58 H ASN 58 4.028 25.545 -12.564 471 HA ASN 58 HA ASN 58 3.397 27.019 -15.014 472 HB2 ASN 58 HB3 ASN 58 5.221 28.035 -13.680 473 HB3 ASN 58 HB2 ASN 58 6.092 26.518 -13.709 474 HD21 ASN 58 HD21 ASN 58 6.116 28.943 -16.944 475 HD22 ASN 58 HD22 ASN 58 5.077 29.211 -15.591 476 HA PRO 59 HA PRO 59 3.562 23.060 -17.006 477 HB2 PRO 59 HB3 PRO 59 4.913 23.777 -19.326 478 HB3 PRO 59 HB2 PRO 59 3.169 23.887 -19.084 479 HG2 PRO 59 HG3 PRO 59 5.263 26.000 -18.782 480 HG3 PRO 59 HG2 PRO 59 3.649 26.129 -19.505 481 HD2 PRO 59 HD3 PRO 59 4.091 27.066 -17.076 482 HD3 PRO 59 HD2 PRO 59 2.594 26.166 -17.410 483 H GLN 60 H GLN 60 6.549 24.900 -16.564 484 HA GLN 60 HA GLN 60 8.106 22.455 -16.987 485 HB2 GLN 60 HB3 GLN 60 9.161 25.206 -16.338 486 HB3 GLN 60 HB2 GLN 60 10.069 23.839 -16.946 487 HG2 GLN 60 HG3 GLN 60 7.957 25.337 -18.503 488 HG3 GLN 60 HG2 GLN 60 9.679 25.629 -18.618 489 HE21 GLN 60 HE21 GLN 60 8.604 21.983 -20.153 490 HE22 GLN 60 HE22 GLN 60 8.153 22.349 -18.552 491 H ASP 61 H ASP 61 6.468 23.844 -14.530 492 HA ASP 61 HA ASP 61 8.343 23.094 -12.392 493 HB2 ASP 61 HB3 ASP 61 6.406 25.067 -12.504 494 HB3 ASP 61 HB2 ASP 61 5.528 23.699 -11.801 495 H ILE 62 H ILE 62 5.823 21.996 -14.282 496 HA ILE 62 HA ILE 62 4.299 20.262 -12.829 497 HB ILE 62 HB ILE 62 5.048 20.131 -15.725 498 HG12 ILE 62 HG13 ILE 62 3.899 22.138 -15.155 499 HG13 ILE 62 HG12 ILE 62 2.781 21.073 -16.003 500 HG21 ILE 62 HG21 ILE 62 2.802 18.628 -14.388 501 HG22 ILE 62 HG22 ILE 62 4.281 17.907 -15.014 502 HG23 ILE 62 HG23 ILE 62 3.143 18.683 -16.118 503 HD11 ILE 62 HD11 ILE 62 1.664 22.169 -14.216 504 HD12 ILE 62 HD12 ILE 62 2.860 21.629 -13.050 505 HD13 ILE 62 HD13 ILE 62 1.789 20.452 -13.827 506 HA PRO 63 HA PRO 63 7.023 16.463 -13.985 507 HB2 PRO 63 HB3 PRO 63 9.757 16.737 -13.748 508 HB3 PRO 63 HB2 PRO 63 8.859 16.774 -15.266 509 HG2 PRO 63 HG3 PRO 63 9.976 19.010 -13.677 510 HG3 PRO 63 HG2 PRO 63 9.788 18.853 -15.429 511 HD2 PRO 63 HD3 PRO 63 8.188 20.294 -13.740 512 HD3 PRO 63 HD2 PRO 63 7.667 19.762 -15.371 513 H LYS 64 H LYS 64 7.905 18.797 -11.772 514 HA LYS 64 HA LYS 64 9.168 17.242 -9.725 515 HB2 LYS 64 HB3 LYS 64 7.723 19.846 -9.304 516 HB3 LYS 64 HB2 LYS 64 9.107 19.216 -8.433 517 HG2 LYS 64 HG3 LYS 64 10.521 19.635 -10.476 518 HG3 LYS 64 HG2 LYS 64 9.090 20.229 -11.264 519 HD2 LYS 64 HD3 LYS 64 8.778 21.971 -9.615 520 HD3 LYS 64 HD2 LYS 64 10.218 21.437 -8.756 521 HE2 LYS 64 HE3 LYS 64 10.220 22.356 -11.623 522 HE3 LYS 64 HE2 LYS 64 10.527 23.429 -10.262 523 HZ1 LYS 64 HZ1 LYS 64 12.567 22.631 -11.266 524 HZ2 LYS 64 HZ2 LYS 64 12.125 21.023 -10.944 525 HZ3 LYS 64 HZ3 LYS 64 12.417 22.072 -9.678 526 H TYR 65 H TYR 65 5.874 17.977 -10.650 527 HA TYR 65 HA TYR 65 4.852 17.193 -8.038 528 HB2 TYR 65 HB3 TYR 65 3.473 18.614 -10.317 529 HB3 TYR 65 HB2 TYR 65 2.785 18.214 -8.746 530 HD1 TYR 65 HD1 TYR 65 3.367 19.467 -6.803 531 HD2 TYR 65 HD2 TYR 65 5.122 20.457 -10.540 532 HE1 TYR 65 HE1 TYR 65 4.197 21.628 -5.873 533 HE2 TYR 65 HE2 TYR 65 5.929 22.516 -9.641 534 HH TYR 65 HH TYR 65 5.675 23.970 -8.005 535 H PHE 66 H PHE 66 4.299 16.589 -11.537 536 HA PHE 66 HA PHE 66 2.577 14.358 -10.658 537 HB2 PHE 66 HB3 PHE 66 2.382 15.873 -13.260 538 HB3 PHE 66 HB2 PHE 66 1.298 14.608 -12.701 539 HD1 PHE 66 HD1 PHE 66 2.019 18.112 -12.688 540 HD2 PHE 66 HD2 PHE 66 -0.072 15.057 -10.605 541 HE1 PHE 66 HE1 PHE 66 0.612 19.816 -11.620 542 HE2 PHE 66 HE2 PHE 66 -1.488 16.754 -9.530 543 HZ PHE 66 HZ PHE 66 -1.145 19.141 -10.034 544 H PHE 67 H PHE 67 5.545 14.766 -12.010 545 HA PHE 67 HA PHE 67 5.222 12.649 -13.982 546 HB2 PHE 67 HB3 PHE 67 7.341 14.598 -13.422 547 HB3 PHE 67 HB2 PHE 67 7.857 13.130 -14.177 548 HD1 PHE 67 HD1 PHE 67 5.092 15.650 -14.560 549 HD2 PHE 67 HD2 PHE 67 7.926 13.134 -16.500 550 HE1 PHE 67 HE1 PHE 67 4.382 16.534 -16.746 551 HE2 PHE 67 HE2 PHE 67 7.217 14.014 -18.680 552 HZ PHE 67 HZ PHE 67 5.444 15.713 -18.804 553 H ASN 68 H ASN 68 7.877 13.061 -11.608 554 HA ASN 68 HA ASN 68 7.875 10.166 -11.423 555 HB2 ASN 68 HB3 ASN 68 9.990 12.253 -11.006 556 HB3 ASN 68 HB2 ASN 68 10.186 10.582 -10.526 557 HD21 ASN 68 HD21 ASN 68 11.591 11.331 -13.956 558 HD22 ASN 68 HD22 ASN 68 11.710 12.158 -12.469 559 H ALA 69 H ALA 69 6.524 12.587 -9.887 560 HA ALA 69 HA ALA 69 7.444 12.058 -7.175 561 HB1 ALA 69 HB1 ALA 69 7.034 14.372 -7.896 562 HB2 ALA 69 HB2 ALA 69 5.977 13.900 -6.565 563 HB3 ALA 69 HB3 ALA 69 5.349 13.961 -8.209 564 H LYS 70 H LYS 70 6.083 10.133 -8.773 565 HA LYS 70 HA LYS 70 3.517 9.754 -7.443 566 HB2 LYS 70 HB3 LYS 70 3.309 7.803 -8.966 567 HB3 LYS 70 HB2 LYS 70 3.413 9.341 -9.819 568 HG2 LYS 70 HG3 LYS 70 5.781 8.915 -10.291 569 HG3 LYS 70 HG2 LYS 70 5.677 7.395 -9.405 570 HD2 LYS 70 HD3 LYS 70 4.077 8.061 -11.881 571 HD3 LYS 70 HD2 LYS 70 5.565 7.112 -11.874 572 HE2 LYS 70 HE3 LYS 70 2.984 6.407 -10.470 573 HE3 LYS 70 HE2 LYS 70 3.608 5.667 -11.939 574 HZ1 LYS 70 HZ1 LYS 70 4.881 5.512 -9.242 575 HZ2 LYS 70 HZ2 LYS 70 5.533 4.883 -10.653 576 HZ3 LYS 70 HZ3 LYS 70 4.089 4.280 -10.063 577 H VAL 71 H VAL 71 4.682 9.864 -5.643 578 HA VAL 71 HA VAL 71 5.242 7.154 -4.803 579 HB VAL 71 HB VAL 71 6.068 9.732 -3.442 580 HG11 VAL 71 HG11 VAL 71 7.363 8.224 -2.046 581 HG12 VAL 71 HG12 VAL 71 6.733 6.877 -3.046 582 HG13 VAL 71 HG13 VAL 71 5.619 7.845 -2.071 583 HG21 VAL 71 HG21 VAL 71 8.354 9.189 -4.138 584 HG22 VAL 71 HG22 VAL 71 7.321 9.423 -5.550 585 HG23 VAL 71 HG23 VAL 71 7.761 7.794 -5.034 586 H HIS 72 H HIS 72 3.363 6.488 -4.185 587 HA HIS 72 HA HIS 72 1.940 7.887 -2.140 588 HB2 HIS 72 HB3 HIS 72 -0.291 7.559 -3.388 589 HB3 HIS 72 HB2 HIS 72 0.719 8.890 -3.908 590 HD1 HIS 72 HD1 HIS 72 -0.839 8.684 -6.109 591 HD2 HIS 72 HD2 HIS 72 1.798 5.536 -5.499 592 HE1 HIS 72 HE1 HIS 72 -0.601 7.524 -8.348 Start of MODEL 14 1 H GLY -1 H GLY -1 14.748 15.911 -11.352 2 HA2 GLY -1 HA2 GLY -1 14.863 17.318 -9.404 3 HA3 GLY -1 HA3 GLY -1 13.196 16.874 -9.769 4 H SER 0 H SER 0 15.245 16.599 -7.389 5 HA SER 0 HA SER 0 14.997 13.743 -6.988 6 HB2 SER 0 HB3 SER 0 17.194 14.872 -6.602 7 HB3 SER 0 HB2 SER 0 16.449 15.816 -5.313 8 HG SER 0 HG SER 0 16.382 14.076 -4.052 9 H MET 1 H MET 1 13.262 13.037 -6.039 10 HA MET 1 HA MET 1 11.627 12.631 -4.586 11 HB2 MET 1 HB3 MET 1 13.224 13.411 -2.794 12 HB3 MET 1 HB2 MET 1 12.539 15.021 -2.942 13 HG2 MET 1 HG3 MET 1 10.362 14.156 -2.235 14 HG3 MET 1 HG2 MET 1 11.047 12.542 -2.100 15 HE1 MET 1 HE1 MET 1 10.441 13.474 1.623 16 HE2 MET 1 HE2 MET 1 10.178 12.287 0.346 17 HE3 MET 1 HE3 MET 1 9.426 13.878 0.238 18 H SER 2 H SER 2 11.704 15.000 -6.649 19 HA SER 2 HA SER 2 9.502 16.635 -6.037 20 HB2 SER 2 HB3 SER 2 10.512 15.805 -8.764 21 HB3 SER 2 HB2 SER 2 9.655 17.294 -8.349 22 HG SER 2 HG SER 2 11.412 18.110 -7.496 23 H TYR 3 H TYR 3 9.854 13.469 -7.373 24 HA TYR 3 HA TYR 3 7.252 13.187 -8.555 25 HB2 TYR 3 HB3 TYR 3 9.416 11.159 -7.967 26 HB3 TYR 3 HB2 TYR 3 7.940 10.838 -8.864 27 HD1 TYR 3 HD1 TYR 3 10.785 13.288 -8.951 28 HD2 TYR 3 HD2 TYR 3 8.111 10.820 -11.162 29 HE1 TYR 3 HE1 TYR 3 11.890 13.966 -11.016 30 HE2 TYR 3 HE2 TYR 3 9.216 11.517 -13.244 31 HH TYR 3 HH TYR 3 10.513 13.596 -13.938 32 H ASP 4 H ASP 4 8.315 13.165 -5.465 33 HA ASP 4 HA ASP 4 6.599 11.135 -4.327 34 HB2 ASP 4 HB3 ASP 4 8.671 11.671 -3.190 35 HB3 ASP 4 HB2 ASP 4 8.278 13.379 -3.174 36 H TYR 5 H TYR 5 6.270 14.142 -5.608 37 HA TYR 5 HA TYR 5 4.633 15.584 -5.962 38 HB2 TYR 5 HB3 TYR 5 2.727 14.070 -4.139 39 HB3 TYR 5 HB2 TYR 5 2.360 15.213 -5.404 40 HD1 TYR 5 HD1 TYR 5 1.930 12.019 -4.629 41 HD2 TYR 5 HD2 TYR 5 3.683 14.272 -7.779 42 HE1 TYR 5 HE1 TYR 5 1.565 10.146 -6.150 43 HE2 TYR 5 HE2 TYR 5 3.319 12.381 -9.326 44 HH TYR 5 HH TYR 5 1.265 9.839 -8.519 45 H SER 6 H SER 6 6.240 15.294 -3.201 46 HA SER 6 HA SER 6 4.743 16.852 -1.427 47 HB2 SER 6 HB3 SER 6 7.211 17.253 -0.521 48 HB3 SER 6 HB2 SER 6 6.396 15.695 -0.338 49 HG SER 6 HG SER 6 7.777 14.845 -1.541 50 H SER 7 H SER 7 6.964 17.738 -3.984 51 HA SER 7 HA SER 7 7.026 20.508 -3.356 52 HB2 SER 7 HB3 SER 7 8.681 19.359 -4.866 53 HB3 SER 7 HB2 SER 7 7.412 19.184 -6.071 54 HG SER 7 HG SER 7 8.969 21.301 -5.466 55 H LEU 8 H LEU 8 4.878 18.443 -5.185 56 HA LEU 8 HA LEU 8 3.293 20.447 -6.418 57 HB2 LEU 8 HB3 LEU 8 3.312 18.123 -7.228 58 HB3 LEU 8 HB2 LEU 8 2.705 17.587 -5.703 59 HG LEU 8 HG LEU 8 0.561 18.585 -6.076 60 HD11 LEU 8 HD11 LEU 8 1.720 19.676 -8.638 61 HD12 LEU 8 HD12 LEU 8 1.199 20.583 -7.201 62 HD13 LEU 8 HD13 LEU 8 0.012 19.719 -8.170 63 HD21 LEU 8 HD21 LEU 8 0.938 16.392 -6.977 64 HD22 LEU 8 HD22 LEU 8 1.569 17.094 -8.471 65 HD23 LEU 8 HD23 LEU 8 -0.138 17.306 -8.044 66 H LEU 9 H LEU 9 2.865 18.415 -3.537 67 HA LEU 9 HA LEU 9 0.538 19.451 -2.693 68 HB2 LEU 9 HB3 LEU 9 2.870 18.227 -1.279 69 HB3 LEU 9 HB2 LEU 9 1.393 18.620 -0.451 70 HG LEU 9 HG LEU 9 1.651 16.652 -2.734 71 HD11 LEU 9 HD11 LEU 9 1.267 16.191 0.218 72 HD12 LEU 9 HD12 LEU 9 2.739 15.869 -0.697 73 HD13 LEU 9 HD13 LEU 9 1.275 14.943 -1.028 74 HD21 LEU 9 HD21 LEU 9 -0.641 15.995 -2.129 75 HD22 LEU 9 HD22 LEU 9 -0.574 17.666 -2.667 76 HD23 LEU 9 HD23 LEU 9 -0.702 17.299 -0.947 77 H GLY 10 H GLY 10 3.836 20.556 -2.337 78 HA2 GLY 10 HA3 GLY 10 3.524 22.538 -0.384 79 HA3 GLY 10 HA2 GLY 10 4.738 22.555 -1.665 80 H LYS 11 H LYS 11 3.302 22.784 -3.958 81 HA LYS 11 HA LYS 11 2.565 25.447 -4.091 82 HB2 LYS 11 HB3 LYS 11 2.248 23.039 -5.803 83 HB3 LYS 11 HB2 LYS 11 1.411 24.512 -6.223 84 HG2 LYS 11 HG3 LYS 11 4.346 24.239 -5.816 85 HG3 LYS 11 HG2 LYS 11 3.546 24.199 -7.397 86 HD2 LYS 11 HD3 LYS 11 2.596 26.489 -6.829 87 HD3 LYS 11 HD2 LYS 11 3.684 26.514 -5.443 88 HE2 LYS 11 HE3 LYS 11 5.593 26.253 -6.983 89 HE3 LYS 11 HE2 LYS 11 4.471 26.316 -8.341 90 HZ1 LYS 11 HZ1 LYS 11 5.423 28.458 -8.014 91 HZ2 LYS 11 HZ2 LYS 11 5.061 28.451 -6.391 92 HZ3 LYS 11 HZ3 LYS 11 3.809 28.600 -7.513 93 H ILE 12 H ILE 12 0.729 22.509 -3.894 94 HA ILE 12 HA ILE 12 -1.850 23.574 -3.967 95 HB ILE 12 HB ILE 12 -0.887 21.089 -2.504 96 HG12 ILE 12 HG13 ILE 12 -2.246 21.426 -5.186 97 HG13 ILE 12 HG12 ILE 12 -0.529 21.128 -4.956 98 HG21 ILE 12 HG21 ILE 12 -3.251 20.355 -2.525 99 HG22 ILE 12 HG22 ILE 12 -3.700 21.924 -3.193 100 HG23 ILE 12 HG23 ILE 12 -3.027 21.826 -1.571 101 HD11 ILE 12 HD11 ILE 12 -2.740 19.244 -4.151 102 HD12 ILE 12 HD12 ILE 12 -0.994 18.947 -4.059 103 HD13 ILE 12 HD13 ILE 12 -1.772 19.131 -5.620 104 H THR 13 H THR 13 0.299 23.146 -1.212 105 HA THR 13 HA THR 13 -1.529 23.993 0.789 106 HB THR 13 HB THR 13 1.474 24.253 0.849 107 HG1 THR 13 HG1 THR 13 0.663 22.058 0.357 108 HG21 THR 13 HG21 THR 13 0.357 25.414 2.660 109 HG22 THR 13 HG22 THR 13 1.137 23.967 3.315 110 HG23 THR 13 HG23 THR 13 -0.609 23.993 3.020 111 H GLU 14 H GLU 14 0.711 25.692 -1.291 112 HA GLU 14 HA GLU 14 0.448 28.098 0.196 113 HB2 GLU 14 HB3 GLU 14 1.886 27.223 -2.149 114 HB3 GLU 14 HB2 GLU 14 1.959 28.945 -1.693 115 HG2 GLU 14 HG3 GLU 14 2.881 28.210 0.485 116 HG3 GLU 14 HG2 GLU 14 2.806 26.539 -0.071 117 H LYS 15 H LYS 15 -1.099 26.690 -2.543 118 HA LYS 15 HA LYS 15 -2.072 29.295 -3.368 119 HB2 LYS 15 HB3 LYS 15 -1.149 27.083 -4.748 120 HB3 LYS 15 HB2 LYS 15 -2.907 27.068 -4.924 121 HG2 LYS 15 HG3 LYS 15 -1.871 28.361 -6.724 122 HG3 LYS 15 HG2 LYS 15 -2.808 29.426 -5.666 123 HD2 LYS 15 HD3 LYS 15 -0.430 29.428 -4.407 124 HD3 LYS 15 HD2 LYS 15 0.104 29.240 -6.066 125 HE2 LYS 15 HE3 LYS 15 -1.213 31.186 -6.788 126 HE3 LYS 15 HE2 LYS 15 -1.754 31.436 -5.133 127 HZ1 LYS 15 HZ1 LYS 15 0.990 31.766 -6.226 128 HZ2 LYS 15 HZ2 LYS 15 0.676 31.753 -4.569 129 HZ3 LYS 15 HZ3 LYS 15 -0.014 32.938 -5.552 130 H CYS 16 H CYS 16 -3.152 26.158 -2.117 131 HA CYS 16 HA CYS 16 -5.851 27.123 -2.320 132 HB2 CYS 16 HB3 CYS 16 -4.642 24.379 -2.240 133 HB3 CYS 16 HB2 CYS 16 -6.352 24.741 -2.304 134 HG CYS 16 HG CYS 16 -4.010 25.188 -4.746 135 H GLY 17 H GLY 17 -3.475 25.253 -0.478 136 HA2 GLY 17 HA3 GLY 17 -3.371 26.074 1.937 137 HA3 GLY 17 HA2 GLY 17 -5.073 25.711 1.880 138 H THR 18 H THR 18 -5.530 23.577 0.940 139 HA THR 18 HA THR 18 -3.730 21.464 1.861 140 HB THR 18 HB THR 18 -5.607 20.344 3.029 141 HG1 THR 18 HG1 THR 18 -7.443 21.876 3.490 142 HG21 THR 18 HG21 THR 18 -5.788 21.919 4.968 143 HG22 THR 18 HG22 THR 18 -5.064 23.158 3.909 144 HG23 THR 18 HG23 THR 18 -4.131 21.742 4.356 145 H GLN 19 H GLN 19 -4.953 19.223 1.206 146 HA GLN 19 HA GLN 19 -5.333 19.229 -1.527 147 HB2 GLN 19 HB3 GLN 19 -4.543 17.432 0.021 148 HB3 GLN 19 HB2 GLN 19 -6.205 17.248 0.541 149 HG2 GLN 19 HG3 GLN 19 -5.636 15.627 -0.959 150 HG3 GLN 19 HG2 GLN 19 -6.849 16.681 -1.729 151 HE21 GLN 19 HE21 GLN 19 -4.658 17.791 -4.256 152 HE22 GLN 19 HE22 GLN 19 -6.139 18.076 -3.402 153 H TYR 20 H TYR 20 -7.430 19.358 1.242 154 HA TYR 20 HA TYR 20 -9.971 18.936 0.150 155 HB2 TYR 20 HB3 TYR 20 -9.408 19.169 2.586 156 HB3 TYR 20 HB2 TYR 20 -9.185 20.864 2.310 157 HD1 TYR 20 HD1 TYR 20 -11.865 18.367 1.589 158 HD2 TYR 20 HD2 TYR 20 -10.879 22.277 2.921 159 HE1 TYR 20 HE1 TYR 20 -14.250 18.840 1.960 160 HE2 TYR 20 HE2 TYR 20 -13.261 22.758 3.299 161 HH TYR 20 HH TYR 20 -15.641 20.320 3.278 162 H ASN 21 H ASN 21 -8.436 21.943 0.935 163 HA ASN 21 HA ASN 21 -10.133 23.774 -0.275 164 HB2 ASN 21 HB3 ASN 21 -7.157 23.872 0.037 165 HB3 ASN 21 HB2 ASN 21 -8.125 25.241 -0.434 166 HD21 ASN 21 HD21 ASN 21 -7.748 25.991 3.005 167 HD22 ASN 21 HD22 ASN 21 -7.177 26.268 1.409 168 H PHE 22 H PHE 22 -7.354 22.105 -1.640 169 HA PHE 22 HA PHE 22 -7.173 23.185 -4.219 170 HB2 PHE 22 HB3 PHE 22 -5.636 21.511 -3.135 171 HB3 PHE 22 HB2 PHE 22 -6.853 20.318 -3.398 172 HD1 PHE 22 HD1 PHE 22 -7.213 19.255 -5.444 173 HD2 PHE 22 HD2 PHE 22 -4.459 22.468 -5.217 174 HE1 PHE 22 HE1 PHE 22 -6.354 18.664 -7.679 175 HE2 PHE 22 HE2 PHE 22 -3.592 21.874 -7.460 176 HZ PHE 22 HZ PHE 22 -4.544 19.984 -8.680 177 H ALA 23 H ALA 23 -8.839 20.381 -3.067 178 HA ALA 23 HA ALA 23 -10.193 19.560 -5.340 179 HB1 ALA 23 HB1 ALA 23 -11.221 19.399 -2.504 180 HB2 ALA 23 HB2 ALA 23 -10.105 18.269 -3.249 181 HB3 ALA 23 HB3 ALA 23 -11.755 18.402 -3.858 182 H ILE 24 H ILE 24 -11.233 21.889 -2.830 183 HA ILE 24 HA ILE 24 -13.772 22.510 -3.712 184 HB ILE 24 HB ILE 24 -11.750 24.371 -2.486 185 HG12 ILE 24 HG13 ILE 24 -11.982 22.325 -1.149 186 HG13 ILE 24 HG12 ILE 24 -12.650 23.712 -0.362 187 HG21 ILE 24 HG21 ILE 24 -13.704 25.571 -1.595 188 HG22 ILE 24 HG22 ILE 24 -14.766 24.479 -2.479 189 HG23 ILE 24 HG23 ILE 24 -13.689 25.563 -3.358 190 HD11 ILE 24 HD11 ILE 24 -14.898 22.972 -0.961 191 HD12 ILE 24 HD12 ILE 24 -14.005 21.765 -0.031 192 HD13 ILE 24 HD13 ILE 24 -14.200 21.564 -1.776 193 H ALA 25 H ALA 25 -10.680 24.051 -4.491 194 HA ALA 25 HA ALA 25 -11.744 26.013 -6.247 195 HB1 ALA 25 HB1 ALA 25 -8.912 24.988 -6.067 196 HB2 ALA 25 HB2 ALA 25 -9.597 26.287 -5.091 197 HB3 ALA 25 HB3 ALA 25 -9.433 26.489 -6.834 198 H MET 26 H MET 26 -10.647 22.775 -6.708 199 HA MET 26 HA MET 26 -10.551 22.977 -9.599 200 HB2 MET 26 HB3 MET 26 -10.018 20.774 -7.647 201 HB3 MET 26 HB2 MET 26 -10.136 20.449 -9.366 202 HG2 MET 26 HG3 MET 26 -8.244 22.467 -8.201 203 HG3 MET 26 HG2 MET 26 -7.817 20.777 -8.446 204 HE1 MET 26 HE1 MET 26 -7.977 20.369 -12.315 205 HE2 MET 26 HE2 MET 26 -9.302 20.064 -11.203 206 HE3 MET 26 HE3 MET 26 -7.662 19.599 -10.762 207 H GLY 27 H GLY 27 -12.998 22.484 -7.376 208 HA2 GLY 27 HA3 GLY 27 -15.219 21.894 -7.688 209 HA3 GLY 27 HA2 GLY 27 -14.869 21.693 -9.404 210 H LEU 28 H LEU 28 -13.299 20.151 -6.710 211 HA LEU 28 HA LEU 28 -14.203 17.496 -7.639 212 HB2 LEU 28 HB3 LEU 28 -11.501 18.308 -6.592 213 HB3 LEU 28 HB2 LEU 28 -12.006 16.683 -6.981 214 HG LEU 28 HG LEU 28 -11.697 18.917 -8.987 215 HD11 LEU 28 HD11 LEU 28 -9.712 17.657 -9.686 216 HD12 LEU 28 HD12 LEU 28 -9.999 16.529 -8.351 217 HD13 LEU 28 HD13 LEU 28 -9.573 18.207 -8.009 218 HD21 LEU 28 HD21 LEU 28 -12.165 15.987 -9.263 219 HD22 LEU 28 HD22 LEU 28 -11.862 17.112 -10.601 220 HD23 LEU 28 HD23 LEU 28 -13.342 17.258 -9.630 221 H SER 29 H SER 29 -13.795 15.906 -5.921 222 HA SER 29 HA SER 29 -14.252 17.016 -3.274 223 HB2 SER 29 HB3 SER 29 -14.817 14.297 -4.398 224 HB3 SER 29 HB2 SER 29 -15.263 14.848 -2.780 225 HG SER 29 HG SER 29 -16.094 16.464 -4.831 226 H GLU 30 H GLU 30 -12.765 16.498 -1.719 227 HA GLU 30 HA GLU 30 -10.126 16.249 -2.288 228 HB2 GLU 30 HB3 GLU 30 -9.777 15.579 0.092 229 HB3 GLU 30 HB2 GLU 30 -10.815 16.983 -0.126 230 HG2 GLU 30 HG3 GLU 30 -12.755 15.761 0.383 231 HG3 GLU 30 HG2 GLU 30 -11.912 14.226 0.198 232 H ARG 31 H ARG 31 -12.212 13.529 -1.554 233 HA ARG 31 HA ARG 31 -10.280 11.483 -1.370 234 HB2 ARG 31 HB3 ARG 31 -12.673 11.388 -0.732 235 HB3 ARG 31 HB2 ARG 31 -13.065 11.343 -2.422 236 HG2 ARG 31 HG3 ARG 31 -13.167 9.127 -1.568 237 HG3 ARG 31 HG2 ARG 31 -11.842 9.254 -2.714 238 HD2 ARG 31 HD3 ARG 31 -10.253 9.396 -0.837 239 HD3 ARG 31 HD2 ARG 31 -11.603 9.277 0.300 240 HE ARG 31 HE ARG 31 -11.767 7.114 -1.406 241 HH11 ARG 31 HH11 ARG 31 -9.582 8.259 1.128 242 HH12 ARG 31 HH12 ARG 31 -8.984 6.713 1.525 243 HH21 ARG 31 HH21 ARG 31 -10.920 4.980 -0.870 244 HH22 ARG 31 HH22 ARG 31 -9.730 4.824 0.335 245 H THR 32 H THR 32 -12.147 12.758 -4.010 246 HA THR 32 HA THR 32 -11.483 10.775 -5.904 247 HB THR 32 HB THR 32 -12.495 13.597 -6.434 248 HG1 THR 32 HG1 THR 32 -13.858 11.229 -5.578 249 HG21 THR 32 HG21 THR 32 -13.565 12.543 -8.369 250 HG22 THR 32 HG22 THR 32 -12.885 10.982 -7.911 251 HG23 THR 32 HG23 THR 32 -11.819 12.293 -8.423 252 H VAL 33 H VAL 33 -10.287 14.040 -5.235 253 HA VAL 33 HA VAL 33 -8.431 14.290 -7.312 254 HB VAL 33 HB VAL 33 -7.655 15.327 -4.679 255 HG11 VAL 33 HG11 VAL 33 -8.037 16.428 -7.356 256 HG12 VAL 33 HG12 VAL 33 -6.476 16.035 -6.561 257 HG13 VAL 33 HG13 VAL 33 -7.519 17.382 -5.976 258 HG21 VAL 33 HG21 VAL 33 -9.273 17.118 -4.772 259 HG22 VAL 33 HG22 VAL 33 -9.854 15.498 -4.361 260 HG23 VAL 33 HG23 VAL 33 -10.178 16.167 -5.992 261 H SER 34 H SER 34 -8.216 13.100 -4.007 262 HA SER 34 HA SER 34 -5.566 12.789 -4.002 263 HB2 SER 34 HB3 SER 34 -7.618 11.318 -2.339 264 HB3 SER 34 HB2 SER 34 -5.889 11.340 -1.988 265 HG SER 34 HG SER 34 -7.701 13.519 -2.020 266 H LEU 35 H LEU 35 -8.177 10.590 -4.950 267 HA LEU 35 HA LEU 35 -6.733 8.212 -5.232 268 HB2 LEU 35 HB3 LEU 35 -9.119 9.134 -6.841 269 HB3 LEU 35 HB2 LEU 35 -8.536 7.489 -6.752 270 HG LEU 35 HG LEU 35 -9.730 9.077 -4.484 271 HD11 LEU 35 HD11 LEU 35 -11.588 7.488 -4.654 272 HD12 LEU 35 HD12 LEU 35 -10.830 6.770 -6.076 273 HD13 LEU 35 HD13 LEU 35 -11.384 8.444 -6.122 274 HD21 LEU 35 HD21 LEU 35 -8.850 6.189 -4.547 275 HD22 LEU 35 HD22 LEU 35 -9.684 6.987 -3.214 276 HD23 LEU 35 HD23 LEU 35 -8.057 7.493 -3.660 277 H LYS 36 H LYS 36 -7.303 10.877 -7.549 278 HA LYS 36 HA LYS 36 -5.959 9.591 -9.653 279 HB2 LYS 36 HB3 LYS 36 -6.962 12.358 -9.186 280 HB3 LYS 36 HB2 LYS 36 -5.987 11.977 -10.585 281 HG2 LYS 36 HG3 LYS 36 -7.793 11.263 -11.655 282 HG3 LYS 36 HG2 LYS 36 -8.119 10.071 -10.393 283 HD2 LYS 36 HD3 LYS 36 -9.294 11.672 -9.118 284 HD3 LYS 36 HD2 LYS 36 -8.882 12.985 -10.229 285 HE2 LYS 36 HE3 LYS 36 -10.578 10.568 -10.891 286 HE3 LYS 36 HE2 LYS 36 -11.188 12.192 -10.585 287 HZ1 LYS 36 HZ1 LYS 36 -9.891 12.970 -12.481 288 HZ2 LYS 36 HZ2 LYS 36 -11.034 11.816 -12.948 289 HZ3 LYS 36 HZ3 LYS 36 -9.409 11.399 -12.836 290 H LEU 37 H LEU 37 -5.075 11.859 -7.123 291 HA LEU 37 HA LEU 37 -2.672 12.810 -8.172 292 HB2 LEU 37 HB3 LEU 37 -4.063 13.326 -5.823 293 HB3 LEU 37 HB2 LEU 37 -2.946 12.224 -5.372 294 HG LEU 37 HG LEU 37 -1.078 13.449 -6.200 295 HD11 LEU 37 HD11 LEU 37 -1.352 15.855 -6.405 296 HD12 LEU 37 HD12 LEU 37 -3.111 15.581 -6.231 297 HD13 LEU 37 HD13 LEU 37 -2.255 14.932 -7.637 298 HD21 LEU 37 HD21 LEU 37 -0.991 14.883 -4.199 299 HD22 LEU 37 HD22 LEU 37 -1.585 13.263 -3.846 300 HD23 LEU 37 HD23 LEU 37 -2.716 14.611 -3.955 301 H ASN 38 H ASN 38 -3.587 10.313 -5.946 302 HA ASN 38 HA ASN 38 -1.162 10.120 -5.091 303 HB2 ASN 38 HB3 ASN 38 -2.895 9.582 -3.592 304 HB3 ASN 38 HB2 ASN 38 -3.462 8.269 -4.598 305 HD21 ASN 38 HD21 ASN 38 -1.950 6.230 -2.204 306 HD22 ASN 38 HD22 ASN 38 -3.415 6.894 -2.837 307 H ASP 39 H ASP 39 -3.126 7.636 -6.701 308 HA ASP 39 HA ASP 39 -1.254 6.483 -8.428 309 HB2 ASP 39 HB3 ASP 39 0.071 5.902 -6.475 310 HB3 ASP 39 HB2 ASP 39 -1.299 5.081 -5.750 311 H LYS 40 H LYS 40 -4.411 6.400 -7.020 312 HA LYS 40 HA LYS 40 -5.115 3.751 -7.546 313 HB2 LYS 40 HB3 LYS 40 -6.756 6.260 -7.231 314 HB3 LYS 40 HB2 LYS 40 -7.363 4.619 -7.139 315 HG2 LYS 40 HG3 LYS 40 -5.196 5.455 -5.275 316 HG3 LYS 40 HG2 LYS 40 -6.818 6.029 -4.968 317 HD2 LYS 40 HD3 LYS 40 -6.326 4.036 -3.636 318 HD3 LYS 40 HD2 LYS 40 -7.609 3.703 -4.781 319 HE2 LYS 40 HE3 LYS 40 -4.763 2.988 -5.429 320 HE3 LYS 40 HE2 LYS 40 -5.714 1.951 -4.371 321 HZ1 LYS 40 HZ1 LYS 40 -7.275 1.596 -6.120 322 HZ2 LYS 40 HZ2 LYS 40 -5.750 1.293 -6.755 323 HZ3 LYS 40 HZ3 LYS 40 -6.558 2.708 -7.131 324 H VAL 41 H VAL 41 -5.318 6.793 -9.284 325 HA VAL 41 HA VAL 41 -5.522 5.402 -11.778 326 HB VAL 41 HB VAL 41 -7.957 5.858 -10.973 327 HG11 VAL 41 HG11 VAL 41 -7.161 8.633 -11.260 328 HG12 VAL 41 HG12 VAL 41 -7.595 7.772 -9.774 329 HG13 VAL 41 HG13 VAL 41 -8.814 8.041 -11.039 330 HG21 VAL 41 HG21 VAL 41 -7.108 7.279 -13.494 331 HG22 VAL 41 HG22 VAL 41 -8.750 6.777 -13.092 332 HG23 VAL 41 HG23 VAL 41 -7.501 5.564 -13.364 333 H THR 42 H THR 42 -5.022 7.067 -13.529 334 HA THR 42 HA THR 42 -3.121 8.988 -12.517 335 HB THR 42 HB THR 42 -3.890 8.713 -15.387 336 HG1 THR 42 HG1 THR 42 -2.279 6.891 -15.325 337 HG21 THR 42 HG21 THR 42 -2.106 10.275 -14.726 338 HG22 THR 42 HG22 THR 42 -1.452 8.960 -15.701 339 HG23 THR 42 HG23 THR 42 -1.232 8.953 -13.954 340 H TRP 43 H TRP 43 -3.250 11.232 -13.303 341 HA TRP 43 HA TRP 43 -5.859 12.406 -13.138 342 HB2 TRP 43 HB3 TRP 43 -3.283 13.661 -14.097 343 HB3 TRP 43 HB2 TRP 43 -4.730 14.504 -13.591 344 HD1 TRP 43 HD1 TRP 43 -5.231 14.494 -10.914 345 HE1 TRP 43 HE1 TRP 43 -3.597 14.409 -8.954 346 HE3 TRP 43 HE3 TRP 43 -1.115 12.720 -13.371 347 HZ2 TRP 43 HZ2 TRP 43 -0.911 13.663 -8.471 348 HZ3 TRP 43 HZ3 TRP 43 0.957 12.361 -12.092 349 HH2 TRP 43 HH2 TRP 43 1.062 12.831 -9.696 350 H LYS 44 H LYS 44 -7.036 13.291 -14.841 351 HA LYS 44 HA LYS 44 -6.327 12.574 -17.528 352 HB2 LYS 44 HB3 LYS 44 -8.515 14.233 -16.286 353 HB3 LYS 44 HB2 LYS 44 -8.216 14.347 -18.005 354 HG2 LYS 44 HG3 LYS 44 -10.043 12.854 -17.603 355 HG3 LYS 44 HG2 LYS 44 -8.674 11.926 -18.190 356 HD2 LYS 44 HD3 LYS 44 -8.172 11.249 -15.883 357 HD3 LYS 44 HD2 LYS 44 -9.574 12.158 -15.320 358 HE2 LYS 44 HE3 LYS 44 -10.130 9.797 -15.539 359 HE3 LYS 44 HE2 LYS 44 -11.037 10.754 -16.710 360 HZ1 LYS 44 HZ1 LYS 44 -8.580 9.184 -17.276 361 HZ2 LYS 44 HZ2 LYS 44 -9.428 10.081 -18.415 362 HZ3 LYS 44 HZ3 LYS 44 -10.146 8.743 -17.710 363 H ASP 45 H ASP 45 -5.765 14.163 -19.131 364 HA ASP 45 HA ASP 45 -3.818 15.956 -18.160 365 HB2 ASP 45 HB3 ASP 45 -3.530 16.749 -20.477 366 HB3 ASP 45 HB2 ASP 45 -3.556 14.995 -20.401 367 H ASP 46 H ASP 46 -7.136 16.348 -18.945 368 HA ASP 46 HA ASP 46 -7.297 19.170 -18.955 369 HB2 ASP 46 HB3 ASP 46 -9.186 17.889 -19.714 370 HB3 ASP 46 HB2 ASP 46 -9.313 17.057 -18.169 371 H GLU 47 H GLU 47 -7.280 16.826 -16.353 372 HA GLU 47 HA GLU 47 -7.982 18.665 -14.284 373 HB2 GLU 47 HB3 GLU 47 -6.582 15.982 -14.108 374 HB3 GLU 47 HB2 GLU 47 -7.269 16.861 -12.749 375 HG2 GLU 47 HG3 GLU 47 -9.489 16.636 -13.697 376 HG3 GLU 47 HG2 GLU 47 -8.829 15.813 -15.102 377 H ILE 48 H ILE 48 -5.038 17.380 -15.629 378 HA ILE 48 HA ILE 48 -3.217 18.582 -13.865 379 HB ILE 48 HB ILE 48 -2.821 17.812 -16.776 380 HG12 ILE 48 HG13 ILE 48 -2.192 16.299 -14.227 381 HG13 ILE 48 HG12 ILE 48 -3.523 15.950 -15.322 382 HG21 ILE 48 HG21 ILE 48 -0.762 18.377 -14.631 383 HG22 ILE 48 HG22 ILE 48 -1.096 19.381 -16.042 384 HG23 ILE 48 HG23 ILE 48 -0.416 17.767 -16.249 385 HD11 ILE 48 HD11 ILE 48 -1.918 15.388 -17.076 386 HD12 ILE 48 HD12 ILE 48 -1.681 14.400 -15.636 387 HD13 ILE 48 HD13 ILE 48 -0.591 15.744 -15.972 388 H LEU 49 H LEU 49 -4.425 19.707 -17.110 389 HA LEU 49 HA LEU 49 -3.078 22.033 -17.415 390 HB2 LEU 49 HB3 LEU 49 -5.869 21.210 -18.046 391 HB3 LEU 49 HB2 LEU 49 -5.131 22.652 -18.656 392 HG LEU 49 HG LEU 49 -4.255 19.837 -19.254 393 HD11 LEU 49 HD11 LEU 49 -5.646 21.870 -20.980 394 HD12 LEU 49 HD12 LEU 49 -6.448 20.566 -20.143 395 HD13 LEU 49 HD13 LEU 49 -5.263 20.195 -21.410 396 HD21 LEU 49 HD21 LEU 49 -2.382 21.423 -19.343 397 HD22 LEU 49 HD22 LEU 49 -3.329 22.481 -20.391 398 HD23 LEU 49 HD23 LEU 49 -2.835 20.887 -20.961 399 H LYS 50 H LYS 50 -6.150 21.396 -15.836 400 HA LYS 50 HA LYS 50 -6.854 24.056 -15.316 401 HB2 LYS 50 HB3 LYS 50 -8.067 21.669 -15.335 402 HB3 LYS 50 HB2 LYS 50 -7.834 21.893 -13.626 403 HG2 LYS 50 HG3 LYS 50 -9.224 23.611 -13.433 404 HG3 LYS 50 HG2 LYS 50 -8.968 24.209 -15.079 405 HD2 LYS 50 HD3 LYS 50 -10.516 21.740 -14.295 406 HD3 LYS 50 HD2 LYS 50 -11.181 23.345 -14.673 407 HE2 LYS 50 HE3 LYS 50 -10.434 23.277 -16.879 408 HE3 LYS 50 HE2 LYS 50 -9.393 21.897 -16.565 409 HZ1 LYS 50 HZ1 LYS 50 -11.466 20.589 -16.200 410 HZ2 LYS 50 HZ2 LYS 50 -11.260 21.097 -17.732 411 HZ3 LYS 50 HZ3 LYS 50 -12.384 21.916 -16.715 412 H ALA 51 H ALA 51 -5.090 21.617 -13.498 413 HA ALA 51 HA ALA 51 -4.897 23.139 -11.098 414 HB1 ALA 51 HB1 ALA 51 -3.145 20.878 -12.089 415 HB2 ALA 51 HB2 ALA 51 -4.602 20.685 -11.117 416 HB3 ALA 51 HB3 ALA 51 -3.193 21.502 -10.441 417 H VAL 52 H VAL 52 -2.747 22.594 -13.860 418 HA VAL 52 HA VAL 52 -0.478 24.049 -13.244 419 HB VAL 52 HB VAL 52 -1.925 23.897 -15.920 420 HG11 VAL 52 HG11 VAL 52 0.942 24.727 -15.418 421 HG12 VAL 52 HG12 VAL 52 -0.361 25.804 -15.903 422 HG13 VAL 52 HG13 VAL 52 0.169 24.518 -16.987 423 HG21 VAL 52 HG21 VAL 52 0.413 22.360 -14.823 424 HG22 VAL 52 HG22 VAL 52 -0.268 22.195 -16.446 425 HG23 VAL 52 HG23 VAL 52 -1.230 21.754 -15.035 426 H HIS 53 H HIS 53 -3.486 25.324 -14.452 427 HA HIS 53 HA HIS 53 -2.697 28.019 -14.842 428 HB2 HIS 53 HB3 HIS 53 -4.736 26.769 -15.708 429 HB3 HIS 53 HB2 HIS 53 -5.441 27.038 -14.137 430 HD1 HIS 53 HD1 HIS 53 -6.450 29.372 -13.628 431 HD2 HIS 53 HD2 HIS 53 -4.433 29.173 -17.267 432 HE1 HIS 53 HE1 HIS 53 -7.015 31.469 -14.826 433 H VAL 54 H VAL 54 -3.791 26.275 -12.080 434 HA VAL 54 HA VAL 54 -4.310 28.703 -10.531 435 HB VAL 54 HB VAL 54 -4.712 25.770 -9.877 436 HG11 VAL 54 HG11 VAL 54 -4.265 27.010 -7.833 437 HG12 VAL 54 HG12 VAL 54 -5.961 26.537 -7.890 438 HG13 VAL 54 HG13 VAL 54 -5.497 28.207 -8.249 439 HG21 VAL 54 HG21 VAL 54 -6.254 26.614 -11.552 440 HG22 VAL 54 HG22 VAL 54 -6.726 27.934 -10.475 441 HG23 VAL 54 HG23 VAL 54 -7.095 26.266 -10.044 442 H LEU 55 H LEU 55 -2.224 25.844 -10.575 443 HA LEU 55 HA LEU 55 -0.878 26.384 -8.184 444 HB2 LEU 55 HB3 LEU 55 -0.926 24.431 -10.394 445 HB3 LEU 55 HB2 LEU 55 0.372 24.409 -9.262 446 HG LEU 55 HG LEU 55 -1.727 22.901 -9.058 447 HD11 LEU 55 HD11 LEU 55 -1.398 22.780 -6.583 448 HD12 LEU 55 HD12 LEU 55 -0.609 24.347 -6.635 449 HD13 LEU 55 HD13 LEU 55 0.146 22.949 -7.422 450 HD21 LEU 55 HD21 LEU 55 -3.373 23.778 -7.342 451 HD22 LEU 55 HD22 LEU 55 -3.477 24.465 -8.952 452 HD23 LEU 55 HD23 LEU 55 -2.700 25.377 -7.659 453 H GLU 56 H GLU 56 -0.671 27.825 -11.098 454 HA GLU 56 HA GLU 56 0.736 29.349 -11.928 455 HB2 GLU 56 HB3 GLU 56 2.599 28.695 -9.645 456 HB3 GLU 56 HB2 GLU 56 2.665 30.127 -10.654 457 HG2 GLU 56 HG3 GLU 56 0.660 30.969 -9.701 458 HG3 GLU 56 HG2 GLU 56 0.346 29.441 -8.878 459 H LEU 57 H LEU 57 0.933 26.523 -12.605 460 HA LEU 57 HA LEU 57 3.768 26.012 -12.863 461 HB2 LEU 57 HB3 LEU 57 1.453 24.376 -13.545 462 HB3 LEU 57 HB2 LEU 57 3.101 23.794 -13.663 463 HG LEU 57 HG LEU 57 1.602 24.520 -11.130 464 HD11 LEU 57 HD11 LEU 57 0.917 22.403 -12.071 465 HD12 LEU 57 HD12 LEU 57 1.838 22.154 -10.587 466 HD13 LEU 57 HD13 LEU 57 2.597 21.873 -12.155 467 HD21 LEU 57 HD21 LEU 57 4.442 23.541 -11.471 468 HD22 LEU 57 HD22 LEU 57 3.593 23.694 -9.933 469 HD23 LEU 57 HD23 LEU 57 3.941 25.132 -10.889 470 H ASN 58 H ASN 58 4.289 24.756 -14.968 471 HA ASN 58 HA ASN 58 3.234 26.020 -17.360 472 HB2 ASN 58 HB3 ASN 58 5.254 27.276 -16.615 473 HB3 ASN 58 HB2 ASN 58 6.148 25.765 -16.540 474 HD21 ASN 58 HD21 ASN 58 5.501 27.641 -20.068 475 HD22 ASN 58 HD22 ASN 58 4.709 28.086 -18.593 476 HA PRO 59 HA PRO 59 3.302 21.746 -18.843 477 HB2 PRO 59 HB3 PRO 59 4.702 22.301 -21.264 478 HB3 PRO 59 HB2 PRO 59 2.961 22.113 -21.049 479 HG2 PRO 59 HG3 PRO 59 4.600 24.590 -21.161 480 HG3 PRO 59 HG2 PRO 59 2.922 24.327 -21.666 481 HD2 PRO 59 HD3 PRO 59 3.493 25.687 -19.445 482 HD3 PRO 59 HD2 PRO 59 2.108 24.575 -19.492 483 H GLN 60 H GLN 60 6.279 23.645 -18.939 484 HA GLN 60 HA GLN 60 8.019 21.394 -19.292 485 HB2 GLN 60 HB3 GLN 60 8.594 24.202 -18.383 486 HB3 GLN 60 HB2 GLN 60 9.809 23.005 -18.828 487 HG2 GLN 60 HG3 GLN 60 8.924 22.870 -21.029 488 HG3 GLN 60 HG2 GLN 60 7.639 23.997 -20.631 489 HE21 GLN 60 HE21 GLN 60 9.565 26.866 -20.887 490 HE22 GLN 60 HE22 GLN 60 8.092 26.136 -20.343 491 H ASP 61 H ASP 61 6.450 22.776 -16.552 492 HA ASP 61 HA ASP 61 8.274 21.715 -14.642 493 HB2 ASP 61 HB3 ASP 61 5.971 23.488 -14.787 494 HB3 ASP 61 HB2 ASP 61 6.041 22.523 -13.343 495 H ILE 62 H ILE 62 5.871 20.542 -16.588 496 HA ILE 62 HA ILE 62 4.291 19.085 -14.825 497 HB ILE 62 HB ILE 62 4.734 18.673 -17.766 498 HG12 ILE 62 HG13 ILE 62 3.639 20.727 -17.163 499 HG13 ILE 62 HG12 ILE 62 2.468 19.629 -17.901 500 HG21 ILE 62 HG21 ILE 62 4.083 16.506 -16.825 501 HG22 ILE 62 HG22 ILE 62 2.777 17.196 -17.787 502 HG23 ILE 62 HG23 ILE 62 2.701 17.265 -16.028 503 HD11 ILE 62 HD11 ILE 62 1.653 19.087 -15.624 504 HD12 ILE 62 HD12 ILE 62 1.454 20.774 -16.080 505 HD13 ILE 62 HD13 ILE 62 2.743 20.321 -14.976 506 HA PRO 63 HA PRO 63 6.769 15.107 -15.563 507 HB2 PRO 63 HB3 PRO 63 9.288 15.093 -16.383 508 HB3 PRO 63 HB2 PRO 63 7.912 15.238 -17.492 509 HG2 PRO 63 HG3 PRO 63 9.701 17.408 -16.475 510 HG3 PRO 63 HG2 PRO 63 9.148 17.118 -18.135 511 HD2 PRO 63 HD3 PRO 63 8.006 18.896 -16.393 512 HD3 PRO 63 HD2 PRO 63 7.118 18.155 -17.754 513 H LYS 64 H LYS 64 7.817 17.764 -14.115 514 HA LYS 64 HA LYS 64 9.709 16.608 -12.218 515 HB2 LYS 64 HB3 LYS 64 8.305 19.259 -11.937 516 HB3 LYS 64 HB2 LYS 64 9.834 18.765 -11.243 517 HG2 LYS 64 HG3 LYS 64 10.838 18.810 -13.531 518 HG3 LYS 64 HG2 LYS 64 9.281 19.327 -14.140 519 HD2 LYS 64 HD3 LYS 64 9.321 21.302 -12.685 520 HD3 LYS 64 HD2 LYS 64 10.920 20.835 -12.115 521 HE2 LYS 64 HE3 LYS 64 11.866 21.168 -14.275 522 HE3 LYS 64 HE2 LYS 64 10.281 21.381 -15.016 523 HZ1 LYS 64 HZ1 LYS 64 10.010 23.345 -13.553 524 HZ2 LYS 64 HZ2 LYS 64 11.197 23.527 -14.709 525 HZ3 LYS 64 HZ3 LYS 64 11.629 23.233 -13.109 526 H TYR 65 H TYR 65 6.414 17.897 -12.255 527 HA TYR 65 HA TYR 65 5.895 17.067 -9.510 528 HB2 TYR 65 HB3 TYR 65 4.334 18.763 -11.455 529 HB3 TYR 65 HB2 TYR 65 3.758 18.304 -9.859 530 HD1 TYR 65 HD1 TYR 65 4.510 19.405 -7.947 531 HD2 TYR 65 HD2 TYR 65 6.293 20.301 -11.674 532 HE1 TYR 65 HE1 TYR 65 5.590 21.356 -6.946 533 HE2 TYR 65 HE2 TYR 65 7.393 22.260 -10.689 534 HH TYR 65 HH TYR 65 7.516 22.694 -7.323 535 H PHE 66 H PHE 66 4.266 16.849 -12.663 536 HA PHE 66 HA PHE 66 2.586 14.747 -11.575 537 HB2 PHE 66 HB3 PHE 66 2.328 16.340 -14.134 538 HB3 PHE 66 HB2 PHE 66 1.228 15.064 -13.641 539 HD1 PHE 66 HD1 PHE 66 -0.340 15.427 -11.820 540 HD2 PHE 66 HD2 PHE 66 2.281 18.513 -13.110 541 HE1 PHE 66 HE1 PHE 66 -1.719 17.080 -10.637 542 HE2 PHE 66 HE2 PHE 66 0.911 20.175 -11.925 543 HZ PHE 66 HZ PHE 66 -1.094 19.461 -10.686 544 H PHE 67 H PHE 67 4.519 13.376 -11.625 545 HA PHE 67 HA PHE 67 4.411 11.866 -14.041 546 HB2 PHE 67 HB3 PHE 67 6.445 13.560 -14.094 547 HB3 PHE 67 HB2 PHE 67 7.130 12.464 -12.907 548 HD1 PHE 67 HD1 PHE 67 7.485 10.046 -13.542 549 HD2 PHE 67 HD2 PHE 67 6.455 13.048 -16.375 550 HE1 PHE 67 HE1 PHE 67 8.270 8.601 -15.361 551 HE2 PHE 67 HE2 PHE 67 7.242 11.605 -18.198 552 HZ PHE 67 HZ PHE 67 8.150 9.378 -17.695 553 H ASN 68 H ASN 68 3.938 9.994 -13.337 554 HA ASN 68 HA ASN 68 3.982 9.224 -10.639 555 HB2 ASN 68 HB3 ASN 68 3.469 7.667 -13.169 556 HB3 ASN 68 HB2 ASN 68 3.153 7.092 -11.544 557 HD21 ASN 68 HD21 ASN 68 0.562 9.814 -11.327 558 HD22 ASN 68 HD22 ASN 68 2.086 9.643 -10.553 559 H ALA 69 H ALA 69 5.963 8.903 -9.701 560 HA ALA 69 HA ALA 69 7.656 6.934 -11.038 561 HB1 ALA 69 HB1 ALA 69 8.836 9.036 -10.676 562 HB2 ALA 69 HB2 ALA 69 9.555 7.742 -9.721 563 HB3 ALA 69 HB3 ALA 69 8.511 8.924 -8.943 564 H LYS 70 H LYS 70 5.369 6.563 -9.389 565 HA LYS 70 HA LYS 70 4.501 5.201 -7.805 566 HB2 LYS 70 HB3 LYS 70 5.771 3.390 -8.575 567 HB3 LYS 70 HB2 LYS 70 7.249 4.091 -7.938 568 HG2 LYS 70 HG3 LYS 70 6.671 3.507 -5.712 569 HG3 LYS 70 HG2 LYS 70 5.008 3.153 -6.152 570 HD2 LYS 70 HD3 LYS 70 7.408 1.593 -7.099 571 HD3 LYS 70 HD2 LYS 70 6.386 1.133 -5.736 572 HE2 LYS 70 HE3 LYS 70 5.586 1.345 -8.644 573 HE3 LYS 70 HE2 LYS 70 5.674 -0.106 -7.655 574 HZ1 LYS 70 HZ1 LYS 70 3.703 2.100 -7.449 575 HZ2 LYS 70 HZ2 LYS 70 3.928 1.036 -6.207 576 HZ3 LYS 70 HZ3 LYS 70 3.391 0.460 -7.715 577 H VAL 71 H VAL 71 3.652 5.864 -6.248 578 HA VAL 71 HA VAL 71 5.301 6.509 -3.982 579 HB VAL 71 HB VAL 71 2.602 7.719 -4.735 580 HG11 VAL 71 HG11 VAL 71 2.898 7.357 -2.392 581 HG12 VAL 71 HG12 VAL 71 2.928 9.100 -2.769 582 HG13 VAL 71 HG13 VAL 71 4.442 8.211 -2.441 583 HG21 VAL 71 HG21 VAL 71 4.440 8.649 -6.071 584 HG22 VAL 71 HG22 VAL 71 5.332 9.007 -4.595 585 HG23 VAL 71 HG23 VAL 71 3.813 9.837 -4.928 586 H HIS 72 H HIS 72 5.265 4.381 -3.522 587 HA HIS 72 HA HIS 72 4.689 2.501 -2.535 588 HB2 HIS 72 HB3 HIS 72 3.508 3.981 -0.856 589 HB3 HIS 72 HB2 HIS 72 2.034 3.767 -1.793 590 HD1 HIS 72 HD1 HIS 72 4.339 1.983 0.530 591 HD2 HIS 72 HD2 HIS 72 0.812 1.256 -1.524 592 HE1 HIS 72 HE1 HIS 72 3.455 -0.171 1.449 Start of MODEL 15 1 H GLY -1 H GLY -1 14.109 7.209 0.938 2 HA2 GLY -1 HA2 GLY -1 14.234 9.586 1.259 3 HA3 GLY -1 HA3 GLY -1 15.832 8.863 1.087 4 H SER 0 H SER 0 16.770 9.687 -0.613 5 HA SER 0 HA SER 0 17.253 10.346 -2.717 6 HB2 SER 0 HB3 SER 0 14.902 8.591 -3.504 7 HB3 SER 0 HB2 SER 0 16.181 9.141 -4.582 8 HG SER 0 HG SER 0 17.042 7.872 -2.296 9 H MET 1 H MET 1 15.747 11.074 -4.928 10 HA MET 1 HA MET 1 14.412 13.473 -4.001 11 HB2 MET 1 HB3 MET 1 16.030 13.422 -5.947 12 HB3 MET 1 HB2 MET 1 14.848 12.488 -6.845 13 HG2 MET 1 HG3 MET 1 13.265 14.371 -6.707 14 HG3 MET 1 HG2 MET 1 14.469 15.305 -5.827 15 HE1 MET 1 HE1 MET 1 17.220 15.872 -8.550 16 HE2 MET 1 HE2 MET 1 17.166 14.562 -7.377 17 HE3 MET 1 HE3 MET 1 16.711 16.200 -6.892 18 H SER 2 H SER 2 13.111 10.963 -3.385 19 HA SER 2 HA SER 2 10.979 10.428 -5.114 20 HB2 SER 2 HB3 SER 2 11.232 9.960 -2.131 21 HB3 SER 2 HB2 SER 2 9.989 9.252 -3.164 22 HG SER 2 HG SER 2 12.448 8.399 -2.686 23 H TYR 3 H TYR 3 9.659 11.924 -5.704 24 HA TYR 3 HA TYR 3 8.955 14.249 -4.249 25 HB2 TYR 3 HB3 TYR 3 7.350 12.931 -6.422 26 HB3 TYR 3 HB2 TYR 3 7.191 14.583 -5.869 27 HD1 TYR 3 HD1 TYR 3 8.293 12.647 -8.451 28 HD2 TYR 3 HD2 TYR 3 9.648 15.872 -6.013 29 HE1 TYR 3 HE1 TYR 3 9.702 13.419 -10.272 30 HE2 TYR 3 HE2 TYR 3 11.117 16.630 -7.849 31 HH TYR 3 HH TYR 3 10.648 15.489 -10.972 32 H ASP 4 H ASP 4 7.194 11.440 -5.042 33 HA ASP 4 HA ASP 4 5.134 10.581 -4.455 34 HB2 ASP 4 HB3 ASP 4 6.832 9.605 -2.860 35 HB3 ASP 4 HB2 ASP 4 6.253 10.760 -1.660 36 H TYR 5 H TYR 5 4.840 13.181 -4.831 37 HA TYR 5 HA TYR 5 3.327 14.828 -4.711 38 HB2 TYR 5 HB3 TYR 5 1.757 12.960 -2.953 39 HB3 TYR 5 HB2 TYR 5 1.148 14.414 -3.733 40 HD1 TYR 5 HD1 TYR 5 1.132 11.020 -3.919 41 HD2 TYR 5 HD2 TYR 5 1.776 14.402 -6.389 42 HE1 TYR 5 HE1 TYR 5 0.544 9.684 -5.877 43 HE2 TYR 5 HE2 TYR 5 1.186 13.074 -8.381 44 HH TYR 5 HH TYR 5 -0.367 10.148 -8.085 45 H SER 6 H SER 6 5.256 14.247 -2.168 46 HA SER 6 HA SER 6 3.846 15.559 -0.112 47 HB2 SER 6 HB3 SER 6 5.830 14.041 0.240 48 HB3 SER 6 HB2 SER 6 6.859 15.336 -0.376 49 HG SER 6 HG SER 6 5.076 15.678 1.781 50 H SER 7 H SER 7 6.050 16.680 -2.587 51 HA SER 7 HA SER 7 6.107 19.378 -1.710 52 HB2 SER 7 HB3 SER 7 7.830 18.320 -3.205 53 HB3 SER 7 HB2 SER 7 6.627 18.261 -4.485 54 HG SER 7 HG SER 7 7.526 20.618 -3.197 55 H LEU 8 H LEU 8 3.880 17.450 -3.456 56 HA LEU 8 HA LEU 8 2.565 19.643 -4.798 57 HB2 LEU 8 HB3 LEU 8 2.880 17.257 -5.721 58 HB3 LEU 8 HB2 LEU 8 1.674 16.745 -4.589 59 HG LEU 8 HG LEU 8 1.073 18.766 -6.779 60 HD11 LEU 8 HD11 LEU 8 0.506 15.814 -6.795 61 HD12 LEU 8 HD12 LEU 8 1.863 16.541 -7.654 62 HD13 LEU 8 HD13 LEU 8 0.208 16.970 -8.092 63 HD21 LEU 8 HD21 LEU 8 -0.466 18.675 -4.875 64 HD22 LEU 8 HD22 LEU 8 -0.675 16.934 -5.186 65 HD23 LEU 8 HD23 LEU 8 -1.202 18.121 -6.386 66 H LEU 9 H LEU 9 1.891 17.411 -2.156 67 HA LEU 9 HA LEU 9 -0.607 18.446 -1.435 68 HB2 LEU 9 HB3 LEU 9 0.945 16.337 -0.675 69 HB3 LEU 9 HB2 LEU 9 1.130 17.387 0.708 70 HG LEU 9 HG LEU 9 -1.458 16.301 -0.373 71 HD11 LEU 9 HD11 LEU 9 -0.143 14.596 0.708 72 HD12 LEU 9 HD12 LEU 9 -1.536 15.012 1.708 73 HD13 LEU 9 HD13 LEU 9 0.065 15.618 2.128 74 HD21 LEU 9 HD21 LEU 9 -2.500 17.231 1.663 75 HD22 LEU 9 HD22 LEU 9 -1.836 18.486 0.617 76 HD23 LEU 9 HD23 LEU 9 -0.966 18.002 2.071 77 H GLY 10 H GLY 10 2.701 19.303 -0.464 78 HA2 GLY 10 HA3 GLY 10 2.090 21.189 1.541 79 HA3 GLY 10 HA2 GLY 10 3.550 21.183 0.562 80 H LYS 11 H LYS 11 2.400 21.540 -1.986 81 HA LYS 11 HA LYS 11 2.145 24.311 -2.135 82 HB2 LYS 11 HB3 LYS 11 3.096 22.695 -3.773 83 HB3 LYS 11 HB2 LYS 11 1.480 22.093 -4.061 84 HG2 LYS 11 HG3 LYS 11 1.908 23.455 -5.821 85 HG3 LYS 11 HG2 LYS 11 0.919 24.435 -4.724 86 HD2 LYS 11 HD3 LYS 11 2.854 25.689 -4.001 87 HD3 LYS 11 HD2 LYS 11 3.942 24.606 -4.881 88 HE2 LYS 11 HE3 LYS 11 2.811 25.283 -6.987 89 HE3 LYS 11 HE2 LYS 11 1.888 26.464 -6.074 90 HZ1 LYS 11 HZ1 LYS 11 3.984 27.598 -5.535 91 HZ2 LYS 11 HZ2 LYS 11 3.750 27.451 -7.185 92 HZ3 LYS 11 HZ3 LYS 11 4.845 26.439 -6.429 93 H ILE 12 H ILE 12 -0.111 21.580 -2.203 94 HA ILE 12 HA ILE 12 -2.480 22.951 -2.775 95 HB ILE 12 HB ILE 12 -2.086 20.440 -1.121 96 HG12 ILE 12 HG13 ILE 12 -2.928 20.797 -3.999 97 HG13 ILE 12 HG12 ILE 12 -1.345 20.248 -3.456 98 HG21 ILE 12 HG21 ILE 12 -4.614 21.591 -2.269 99 HG22 ILE 12 HG22 ILE 12 -4.215 21.434 -0.557 100 HG23 ILE 12 HG23 ILE 12 -4.469 19.991 -1.542 101 HD11 ILE 12 HD11 ILE 12 -3.964 18.820 -3.036 102 HD12 ILE 12 HD12 ILE 12 -2.388 18.267 -2.468 103 HD13 ILE 12 HD13 ILE 12 -2.707 18.385 -4.197 104 H THR 13 H THR 13 -1.063 22.101 0.385 105 HA THR 13 HA THR 13 -3.077 23.163 1.972 106 HB THR 13 HB THR 13 -0.119 23.011 2.612 107 HG1 THR 13 HG1 THR 13 -2.253 21.131 2.810 108 HG21 THR 13 HG21 THR 13 -1.387 24.375 4.220 109 HG22 THR 13 HG22 THR 13 -0.898 22.850 4.960 110 HG23 THR 13 HG23 THR 13 -2.560 23.076 4.397 111 H GLU 14 H GLU 14 -0.227 24.739 0.575 112 HA GLU 14 HA GLU 14 -0.456 27.110 1.995 113 HB2 GLU 14 HB3 GLU 14 1.360 25.839 0.549 114 HB3 GLU 14 HB2 GLU 14 0.766 26.938 -0.659 115 HG2 GLU 14 HG3 GLU 14 2.682 27.694 0.484 116 HG3 GLU 14 HG2 GLU 14 1.339 28.854 0.639 117 H LYS 15 H LYS 15 -1.844 25.942 -1.038 118 HA LYS 15 HA LYS 15 -2.611 28.631 -1.773 119 HB2 LYS 15 HB3 LYS 15 -1.791 26.279 -3.111 120 HB3 LYS 15 HB2 LYS 15 -3.404 26.767 -3.596 121 HG2 LYS 15 HG3 LYS 15 -1.659 27.873 -4.990 122 HG3 LYS 15 HG2 LYS 15 -2.556 29.051 -4.019 123 HD2 LYS 15 HD3 LYS 15 -0.713 28.767 -2.277 124 HD3 LYS 15 HD2 LYS 15 0.173 27.921 -3.531 125 HE2 LYS 15 HE3 LYS 15 -0.838 30.740 -3.703 126 HE3 LYS 15 HE2 LYS 15 0.820 30.202 -3.417 127 HZ1 LYS 15 HZ1 LYS 15 0.473 30.773 -5.761 128 HZ2 LYS 15 HZ2 LYS 15 -0.799 29.716 -5.839 129 HZ3 LYS 15 HZ3 LYS 15 0.771 29.112 -5.616 130 H CYS 16 H CYS 16 -4.007 25.532 -0.961 131 HA CYS 16 HA CYS 16 -6.612 26.661 -1.421 132 HB2 CYS 16 HB3 CYS 16 -5.464 23.920 -1.613 133 HB3 CYS 16 HB2 CYS 16 -7.182 24.247 -1.618 134 HG CYS 16 HG CYS 16 -6.613 26.108 -3.913 135 H GLY 17 H GLY 17 -4.526 24.681 0.643 136 HA2 GLY 17 HA3 GLY 17 -5.039 25.143 3.106 137 HA3 GLY 17 HA2 GLY 17 -6.661 24.853 2.555 138 H THR 18 H THR 18 -7.005 22.883 1.393 139 HA THR 18 HA THR 18 -5.514 20.580 2.434 140 HB THR 18 HB THR 18 -7.611 19.470 3.107 141 HG1 THR 18 HG1 THR 18 -9.191 21.680 3.090 142 HG21 THR 18 HG21 THR 18 -8.237 20.957 5.025 143 HG22 THR 18 HG22 THR 18 -7.238 22.214 4.235 144 HG23 THR 18 HG23 THR 18 -6.488 20.738 4.813 145 H GLN 19 H GLN 19 -6.517 18.554 1.342 146 HA GLN 19 HA GLN 19 -6.526 18.965 -1.458 147 HB2 GLN 19 HB3 GLN 19 -7.111 16.571 0.247 148 HB3 GLN 19 HB2 GLN 19 -6.998 16.490 -1.508 149 HG2 GLN 19 HG3 GLN 19 -4.676 17.194 -1.433 150 HG3 GLN 19 HG2 GLN 19 -4.763 17.421 0.304 151 HE21 GLN 19 HE21 GLN 19 -5.161 13.665 0.524 152 HE22 GLN 19 HE22 GLN 19 -6.250 14.955 0.785 153 H TYR 20 H TYR 20 -8.978 18.714 0.964 154 HA TYR 20 HA TYR 20 -11.273 18.279 -0.619 155 HB2 TYR 20 HB3 TYR 20 -11.175 18.315 1.897 156 HB3 TYR 20 HB2 TYR 20 -10.981 20.033 1.802 157 HD1 TYR 20 HD1 TYR 20 -12.801 21.419 2.005 158 HD2 TYR 20 HD2 TYR 20 -13.406 17.469 0.550 159 HE1 TYR 20 HE1 TYR 20 -15.216 21.821 1.949 160 HE2 TYR 20 HE2 TYR 20 -15.831 17.868 0.488 161 HH TYR 20 HH TYR 20 -17.448 19.274 1.505 162 H ASN 21 H ASN 21 -9.889 21.181 0.651 163 HA ASN 21 HA ASN 21 -11.357 23.159 -0.664 164 HB2 ASN 21 HB3 ASN 21 -8.453 23.153 0.150 165 HB3 ASN 21 HB2 ASN 21 -9.314 24.578 -0.378 166 HD21 ASN 21 HD21 ASN 21 -9.564 25.118 3.101 167 HD22 ASN 21 HD22 ASN 21 -8.738 25.497 1.653 168 H PHE 22 H PHE 22 -8.447 21.492 -1.638 169 HA PHE 22 HA PHE 22 -7.848 22.681 -4.104 170 HB2 PHE 22 HB3 PHE 22 -6.488 21.009 -2.801 171 HB3 PHE 22 HB2 PHE 22 -7.602 19.803 -3.329 172 HD1 PHE 22 HD1 PHE 22 -5.754 22.503 -5.137 173 HD2 PHE 22 HD2 PHE 22 -6.783 18.385 -4.888 174 HE1 PHE 22 HE1 PHE 22 -4.476 22.060 -7.192 175 HE2 PHE 22 HE2 PHE 22 -5.508 17.934 -6.941 176 HZ PHE 22 HZ PHE 22 -4.347 19.775 -8.094 177 H ALA 23 H ALA 23 -9.611 19.777 -3.385 178 HA ALA 23 HA ALA 23 -10.596 19.002 -5.856 179 HB1 ALA 23 HB1 ALA 23 -12.147 18.870 -3.275 180 HB2 ALA 23 HB2 ALA 23 -10.900 17.729 -3.760 181 HB3 ALA 23 HB3 ALA 23 -12.391 17.858 -4.700 182 H ILE 24 H ILE 24 -12.098 21.278 -3.630 183 HA ILE 24 HA ILE 24 -14.391 21.916 -5.063 184 HB ILE 24 HB ILE 24 -12.786 23.760 -3.306 185 HG12 ILE 24 HG13 ILE 24 -14.847 21.648 -2.828 186 HG13 ILE 24 HG12 ILE 24 -13.260 21.791 -2.114 187 HG21 ILE 24 HG21 ILE 24 -15.708 23.838 -4.137 188 HG22 ILE 24 HG22 ILE 24 -14.457 24.946 -4.697 189 HG23 ILE 24 HG23 ILE 24 -14.932 24.943 -3.000 190 HD11 ILE 24 HD11 ILE 24 -15.558 23.566 -1.672 191 HD12 ILE 24 HD12 ILE 24 -13.971 23.750 -0.890 192 HD13 ILE 24 HD13 ILE 24 -15.006 22.338 -0.524 193 H ALA 25 H ALA 25 -11.232 23.368 -5.061 194 HA ALA 25 HA ALA 25 -11.711 25.444 -6.927 195 HB1 ALA 25 HB1 ALA 25 -9.787 25.424 -5.391 196 HB2 ALA 25 HB2 ALA 25 -9.306 25.674 -7.067 197 HB3 ALA 25 HB3 ALA 25 -9.087 24.093 -6.312 198 H MET 26 H MET 26 -10.545 22.193 -7.267 199 HA MET 26 HA MET 26 -9.938 22.246 -10.042 200 HB2 MET 26 HB3 MET 26 -10.615 19.953 -8.196 201 HB3 MET 26 HB2 MET 26 -10.073 19.758 -9.855 202 HG2 MET 26 HG3 MET 26 -8.478 21.179 -7.746 203 HG3 MET 26 HG2 MET 26 -8.319 19.460 -8.097 204 HE1 MET 26 HE1 MET 26 -6.923 19.414 -11.706 205 HE2 MET 26 HE2 MET 26 -8.610 19.279 -11.234 206 HE3 MET 26 HE3 MET 26 -7.362 18.462 -10.288 207 H GLY 27 H GLY 27 -12.796 21.325 -8.222 208 HA2 GLY 27 HA3 GLY 27 -15.016 21.505 -9.071 209 HA3 GLY 27 HA2 GLY 27 -14.374 21.350 -10.708 210 H LEU 28 H LEU 28 -13.252 19.370 -8.128 211 HA LEU 28 HA LEU 28 -14.663 17.068 -9.264 212 HB2 LEU 28 HB3 LEU 28 -11.809 17.300 -8.352 213 HB3 LEU 28 HB2 LEU 28 -12.639 15.767 -8.272 214 HG LEU 28 HG LEU 28 -12.918 15.841 -10.742 215 HD11 LEU 28 HD11 LEU 28 -11.688 17.463 -12.041 216 HD12 LEU 28 HD12 LEU 28 -11.168 18.252 -10.536 217 HD13 LEU 28 HD13 LEU 28 -12.882 18.220 -10.965 218 HD21 LEU 28 HD21 LEU 28 -10.582 15.386 -11.262 219 HD22 LEU 28 HD22 LEU 28 -11.060 14.650 -9.731 220 HD23 LEU 28 HD23 LEU 28 -10.097 16.129 -9.737 221 H SER 29 H SER 29 -14.792 15.383 -7.770 222 HA SER 29 HA SER 29 -15.530 16.297 -5.125 223 HB2 SER 29 HB3 SER 29 -15.543 13.577 -6.354 224 HB3 SER 29 HB2 SER 29 -16.319 14.003 -4.823 225 HG SER 29 HG SER 29 -17.011 15.680 -6.809 226 H GLU 30 H GLU 30 -14.438 15.724 -3.261 227 HA GLU 30 HA GLU 30 -11.691 15.741 -3.215 228 HB2 GLU 30 HB3 GLU 30 -13.130 16.307 -1.304 229 HB3 GLU 30 HB2 GLU 30 -13.626 14.640 -1.156 230 HG2 GLU 30 HG3 GLU 30 -10.761 15.475 -0.777 231 HG3 GLU 30 HG2 GLU 30 -11.935 15.577 0.527 232 H ARG 31 H ARG 31 -13.734 12.891 -2.950 233 HA ARG 31 HA ARG 31 -11.701 11.027 -2.551 234 HB2 ARG 31 HB3 ARG 31 -14.226 10.788 -2.360 235 HB3 ARG 31 HB2 ARG 31 -14.213 10.513 -4.067 236 HG2 ARG 31 HG3 ARG 31 -14.241 8.365 -2.938 237 HG3 ARG 31 HG2 ARG 31 -12.747 8.568 -3.853 238 HD2 ARG 31 HD3 ARG 31 -11.608 9.235 -1.725 239 HD3 ARG 31 HD2 ARG 31 -13.108 8.890 -0.866 240 HE ARG 31 HE ARG 31 -12.490 6.622 -2.274 241 HH11 ARG 31 HH11 ARG 31 -10.993 8.538 0.298 242 HH12 ARG 31 HH12 ARG 31 -10.067 7.281 0.930 243 HH21 ARG 31 HH21 ARG 31 -11.202 4.856 -1.440 244 HH22 ARG 31 HH22 ARG 31 -10.179 5.116 -0.084 245 H THR 32 H THR 32 -13.067 12.381 -5.401 246 HA THR 32 HA THR 32 -12.063 10.483 -7.278 247 HB THR 32 HB THR 32 -12.837 13.350 -7.849 248 HG1 THR 32 HG1 THR 32 -14.919 12.558 -8.090 249 HG21 THR 32 HG21 THR 32 -12.962 10.830 -9.525 250 HG22 THR 32 HG22 THR 32 -11.775 12.124 -9.707 251 HG23 THR 32 HG23 THR 32 -13.479 12.435 -10.043 252 H VAL 33 H VAL 33 -10.996 13.674 -6.147 253 HA VAL 33 HA VAL 33 -8.776 13.986 -7.813 254 HB VAL 33 HB VAL 33 -8.701 14.886 -4.993 255 HG11 VAL 33 HG11 VAL 33 -6.953 15.432 -6.460 256 HG12 VAL 33 HG12 VAL 33 -7.903 16.900 -6.038 257 HG13 VAL 33 HG13 VAL 33 -8.147 16.077 -7.602 258 HG21 VAL 33 HG21 VAL 33 -10.058 16.796 -5.535 259 HG22 VAL 33 HG22 VAL 33 -10.858 15.227 -5.396 260 HG23 VAL 33 HG23 VAL 33 -10.599 15.942 -7.017 261 H SER 34 H SER 34 -9.296 12.773 -4.550 262 HA SER 34 HA SER 34 -6.723 12.394 -4.089 263 HB2 SER 34 HB3 SER 34 -9.090 11.094 -2.759 264 HB3 SER 34 HB2 SER 34 -7.440 11.027 -2.124 265 HG SER 34 HG SER 34 -9.223 12.966 -1.833 266 H LEU 35 H LEU 35 -9.120 10.231 -5.536 267 HA LEU 35 HA LEU 35 -7.537 7.893 -5.504 268 HB2 LEU 35 HB3 LEU 35 -9.779 8.608 -7.394 269 HB3 LEU 35 HB2 LEU 35 -9.077 7.016 -7.205 270 HG LEU 35 HG LEU 35 -10.675 8.542 -5.189 271 HD11 LEU 35 HD11 LEU 35 -11.248 5.994 -6.681 272 HD12 LEU 35 HD12 LEU 35 -12.015 7.561 -6.937 273 HD13 LEU 35 HD13 LEU 35 -12.266 6.692 -5.422 274 HD21 LEU 35 HD21 LEU 35 -9.340 5.860 -4.907 275 HD22 LEU 35 HD22 LEU 35 -10.508 6.532 -3.771 276 HD23 LEU 35 HD23 LEU 35 -8.955 7.329 -4.009 277 H LYS 36 H LYS 36 -7.960 10.521 -7.869 278 HA LYS 36 HA LYS 36 -6.403 9.484 -9.892 279 HB2 LYS 36 HB3 LYS 36 -7.317 12.152 -9.086 280 HB3 LYS 36 HB2 LYS 36 -6.133 12.006 -10.374 281 HG2 LYS 36 HG3 LYS 36 -7.591 10.892 -11.761 282 HG3 LYS 36 HG2 LYS 36 -8.622 10.380 -10.413 283 HD2 LYS 36 HD3 LYS 36 -9.224 12.483 -9.988 284 HD3 LYS 36 HD2 LYS 36 -8.233 13.221 -11.262 285 HE2 LYS 36 HE3 LYS 36 -10.454 11.216 -11.738 286 HE3 LYS 36 HE2 LYS 36 -10.663 12.960 -11.874 287 HZ1 LYS 36 HZ1 LYS 36 -9.160 13.025 -13.707 288 HZ2 LYS 36 HZ2 LYS 36 -10.245 11.774 -14.013 289 HZ3 LYS 36 HZ3 LYS 36 -8.691 11.412 -13.507 290 H LEU 37 H LEU 37 -5.730 11.391 -7.074 291 HA LEU 37 HA LEU 37 -3.041 12.010 -7.663 292 HB2 LEU 37 HB3 LEU 37 -4.414 13.317 -6.159 293 HB3 LEU 37 HB2 LEU 37 -4.579 12.038 -5.038 294 HG LEU 37 HG LEU 37 -2.009 12.160 -4.973 295 HD11 LEU 37 HD11 LEU 37 -1.635 13.736 -6.626 296 HD12 LEU 37 HD12 LEU 37 -1.360 14.586 -5.079 297 HD13 LEU 37 HD13 LEU 37 -2.900 14.762 -5.956 298 HD21 LEU 37 HD21 LEU 37 -2.203 13.702 -3.073 299 HD22 LEU 37 HD22 LEU 37 -3.461 12.466 -3.075 300 HD23 LEU 37 HD23 LEU 37 -3.836 14.109 -3.599 301 H ASN 38 H ASN 38 -4.620 9.655 -5.574 302 HA ASN 38 HA ASN 38 -2.295 8.922 -4.401 303 HB2 ASN 38 HB3 ASN 38 -4.430 8.535 -3.307 304 HB3 ASN 38 HB2 ASN 38 -4.850 7.344 -4.520 305 HD21 ASN 38 HD21 ASN 38 -3.752 4.952 -2.255 306 HD22 ASN 38 HD22 ASN 38 -5.106 5.705 -3.011 307 H ASP 39 H ASP 39 -4.255 7.016 -6.751 308 HA ASP 39 HA ASP 39 -2.035 5.848 -7.977 309 HB2 ASP 39 HB3 ASP 39 -1.461 4.799 -5.904 310 HB3 ASP 39 HB2 ASP 39 -3.101 4.244 -5.648 311 H LYS 40 H LYS 40 -5.558 5.978 -7.641 312 HA LYS 40 HA LYS 40 -6.019 3.451 -8.887 313 HB2 LYS 40 HB3 LYS 40 -7.970 5.654 -8.480 314 HB3 LYS 40 HB2 LYS 40 -8.215 3.965 -8.662 315 HG2 LYS 40 HG3 LYS 40 -6.948 5.130 -6.186 316 HG3 LYS 40 HG2 LYS 40 -8.626 4.618 -6.338 317 HD2 LYS 40 HD3 LYS 40 -6.188 2.844 -6.573 318 HD3 LYS 40 HD2 LYS 40 -7.307 2.904 -5.218 319 HE2 LYS 40 HE3 LYS 40 -9.132 2.208 -6.791 320 HE3 LYS 40 HE2 LYS 40 -7.903 1.989 -8.030 321 HZ1 LYS 40 HZ1 LYS 40 -8.399 -0.080 -7.014 322 HZ2 LYS 40 HZ2 LYS 40 -8.141 0.512 -5.481 323 HZ3 LYS 40 HZ3 LYS 40 -6.829 0.343 -6.561 324 H VAL 41 H VAL 41 -6.072 6.899 -9.571 325 HA VAL 41 HA VAL 41 -6.692 6.144 -12.312 326 HB VAL 41 HB VAL 41 -7.897 8.659 -11.614 327 HG11 VAL 41 HG11 VAL 41 -8.919 6.095 -12.354 328 HG12 VAL 41 HG12 VAL 41 -8.282 7.275 -13.547 329 HG13 VAL 41 HG13 VAL 41 -9.819 7.592 -12.637 330 HG21 VAL 41 HG21 VAL 41 -9.764 7.902 -10.254 331 HG22 VAL 41 HG22 VAL 41 -8.243 7.702 -9.376 332 HG23 VAL 41 HG23 VAL 41 -9.032 6.302 -10.119 333 H THR 42 H THR 42 -6.560 8.449 -13.516 334 HA THR 42 HA THR 42 -4.266 9.892 -12.466 335 HB THR 42 HB THR 42 -3.646 10.170 -14.956 336 HG1 THR 42 HG1 THR 42 -4.664 7.676 -15.467 337 HG21 THR 42 HG21 THR 42 -2.242 8.879 -13.448 338 HG22 THR 42 HG22 THR 42 -2.368 8.027 -14.988 339 HG23 THR 42 HG23 THR 42 -3.309 7.489 -13.599 340 H TRP 43 H TRP 43 -4.171 12.094 -13.339 341 HA TRP 43 HA TRP 43 -6.819 13.222 -13.618 342 HB2 TRP 43 HB3 TRP 43 -4.142 14.593 -13.865 343 HB3 TRP 43 HB2 TRP 43 -5.697 15.357 -13.614 344 HD1 TRP 43 HD1 TRP 43 -6.640 15.374 -11.103 345 HE1 TRP 43 HE1 TRP 43 -5.436 15.011 -8.845 346 HE3 TRP 43 HE3 TRP 43 -2.348 13.209 -12.810 347 HZ2 TRP 43 HZ2 TRP 43 -3.007 13.968 -7.944 348 HZ3 TRP 43 HZ3 TRP 43 -0.623 12.554 -11.183 349 HH2 TRP 43 HH2 TRP 43 -0.949 12.924 -8.801 350 H LYS 44 H LYS 44 -7.528 14.190 -15.499 351 HA LYS 44 HA LYS 44 -6.221 13.452 -17.931 352 HB2 LYS 44 HB3 LYS 44 -8.432 15.482 -17.483 353 HB3 LYS 44 HB2 LYS 44 -7.984 14.727 -18.995 354 HG2 LYS 44 HG3 LYS 44 -9.248 13.352 -16.632 355 HG3 LYS 44 HG2 LYS 44 -10.027 13.745 -18.165 356 HD2 LYS 44 HD3 LYS 44 -8.401 12.274 -19.316 357 HD3 LYS 44 HD2 LYS 44 -7.733 11.842 -17.745 358 HE2 LYS 44 HE3 LYS 44 -9.281 10.124 -18.478 359 HE3 LYS 44 HE2 LYS 44 -9.918 10.959 -17.066 360 HZ1 LYS 44 HZ1 LYS 44 -11.384 12.204 -18.444 361 HZ2 LYS 44 HZ2 LYS 44 -11.586 10.580 -18.851 362 HZ3 LYS 44 HZ3 LYS 44 -10.707 11.587 -19.853 363 H ASP 45 H ASP 45 -5.263 15.075 -19.335 364 HA ASP 45 HA ASP 45 -3.554 16.790 -17.931 365 HB2 ASP 45 HB3 ASP 45 -4.317 16.671 -20.709 366 HB3 ASP 45 HB2 ASP 45 -3.079 17.822 -20.205 367 H ASP 46 H ASP 46 -6.596 17.305 -19.417 368 HA ASP 46 HA ASP 46 -6.643 20.148 -19.260 369 HB2 ASP 46 HB3 ASP 46 -8.941 18.185 -19.311 370 HB3 ASP 46 HB2 ASP 46 -9.116 19.925 -19.474 371 H GLU 47 H GLU 47 -7.282 17.640 -16.933 372 HA GLU 47 HA GLU 47 -8.499 19.401 -15.015 373 HB2 GLU 47 HB3 GLU 47 -7.230 16.664 -14.630 374 HB3 GLU 47 HB2 GLU 47 -8.140 17.526 -13.399 375 HG2 GLU 47 HG3 GLU 47 -10.147 17.369 -14.768 376 HG3 GLU 47 HG2 GLU 47 -9.247 16.536 -16.027 377 H ILE 48 H ILE 48 -5.333 18.097 -15.706 378 HA ILE 48 HA ILE 48 -3.933 19.110 -13.501 379 HB ILE 48 HB ILE 48 -2.910 18.584 -16.317 380 HG12 ILE 48 HG13 ILE 48 -2.875 16.845 -13.838 381 HG13 ILE 48 HG12 ILE 48 -3.944 16.634 -15.217 382 HG21 ILE 48 HG21 ILE 48 -1.354 18.893 -13.738 383 HG22 ILE 48 HG22 ILE 48 -1.354 20.023 -15.091 384 HG23 ILE 48 HG23 ILE 48 -0.678 18.408 -15.293 385 HD11 ILE 48 HD11 ILE 48 -2.119 15.053 -15.261 386 HD12 ILE 48 HD12 ILE 48 -0.948 16.374 -15.246 387 HD13 ILE 48 HD13 ILE 48 -2.010 16.152 -16.636 388 H LEU 49 H LEU 49 -4.770 20.627 -16.649 389 HA LEU 49 HA LEU 49 -3.318 22.907 -16.538 390 HB2 LEU 49 HB3 LEU 49 -6.090 22.390 -17.554 391 HB3 LEU 49 HB2 LEU 49 -5.103 23.754 -17.967 392 HG LEU 49 HG LEU 49 -4.658 20.886 -18.730 393 HD11 LEU 49 HD11 LEU 49 -6.360 22.071 -20.003 394 HD12 LEU 49 HD12 LEU 49 -4.955 21.688 -20.997 395 HD13 LEU 49 HD13 LEU 49 -5.191 23.329 -20.394 396 HD21 LEU 49 HD21 LEU 49 -2.485 21.902 -18.251 397 HD22 LEU 49 HD22 LEU 49 -2.877 23.259 -19.309 398 HD23 LEU 49 HD23 LEU 49 -2.694 21.641 -19.981 399 H LYS 50 H LYS 50 -6.320 22.027 -14.861 400 HA LYS 50 HA LYS 50 -6.977 24.630 -13.967 401 HB2 LYS 50 HB3 LYS 50 -7.670 21.945 -12.927 402 HB3 LYS 50 HB2 LYS 50 -8.464 23.422 -12.442 403 HG2 LYS 50 HG3 LYS 50 -8.540 22.343 -15.271 404 HG3 LYS 50 HG2 LYS 50 -9.731 21.903 -14.062 405 HD2 LYS 50 HD3 LYS 50 -10.702 23.634 -15.392 406 HD3 LYS 50 HD2 LYS 50 -10.277 24.365 -13.853 407 HE2 LYS 50 HE3 LYS 50 -8.338 25.409 -14.839 408 HE3 LYS 50 HE2 LYS 50 -8.612 24.563 -16.373 409 HZ1 LYS 50 HZ1 LYS 50 -10.359 26.589 -15.093 410 HZ2 LYS 50 HZ2 LYS 50 -10.660 25.824 -16.570 411 HZ3 LYS 50 HZ3 LYS 50 -9.334 26.843 -16.413 412 H ALA 51 H ALA 51 -5.444 21.821 -12.487 413 HA ALA 51 HA ALA 51 -4.937 22.877 -9.966 414 HB1 ALA 51 HB1 ALA 51 -3.237 20.917 -11.509 415 HB2 ALA 51 HB2 ALA 51 -4.648 20.505 -10.534 416 HB3 ALA 51 HB3 ALA 51 -3.202 21.159 -9.761 417 H VAL 52 H VAL 52 -3.006 23.008 -12.886 418 HA VAL 52 HA VAL 52 -0.752 24.309 -11.933 419 HB VAL 52 HB VAL 52 -2.026 24.481 -14.690 420 HG11 VAL 52 HG11 VAL 52 0.763 25.329 -13.885 421 HG12 VAL 52 HG12 VAL 52 -0.547 26.402 -14.376 422 HG13 VAL 52 HG13 VAL 52 0.133 25.257 -15.530 423 HG21 VAL 52 HG21 VAL 52 0.281 22.847 -13.648 424 HG22 VAL 52 HG22 VAL 52 -0.280 22.885 -15.318 425 HG23 VAL 52 HG23 VAL 52 -1.329 22.249 -14.048 426 H HIS 53 H HIS 53 -3.881 25.637 -12.772 427 HA HIS 53 HA HIS 53 -2.897 28.335 -12.657 428 HB2 HIS 53 HB3 HIS 53 -5.386 26.999 -13.464 429 HB3 HIS 53 HB2 HIS 53 -5.443 28.685 -12.970 430 HD1 HIS 53 HD1 HIS 53 -4.262 26.402 -15.654 431 HD2 HIS 53 HD2 HIS 53 -4.084 30.446 -14.755 432 HE1 HIS 53 HE1 HIS 53 -3.347 27.523 -17.715 433 H VAL 54 H VAL 54 -4.280 26.103 -10.501 434 HA VAL 54 HA VAL 54 -5.453 28.234 -8.895 435 HB VAL 54 HB VAL 54 -5.432 25.238 -8.379 436 HG11 VAL 54 HG11 VAL 54 -7.126 25.713 -6.673 437 HG12 VAL 54 HG12 VAL 54 -6.986 27.439 -7.003 438 HG13 VAL 54 HG13 VAL 54 -5.621 26.562 -6.315 439 HG21 VAL 54 HG21 VAL 54 -6.762 25.800 -10.337 440 HG22 VAL 54 HG22 VAL 54 -7.630 27.024 -9.413 441 HG23 VAL 54 HG23 VAL 54 -7.811 25.318 -9.002 442 H LEU 55 H LEU 55 -2.999 25.690 -8.757 443 HA LEU 55 HA LEU 55 -2.107 26.444 -6.215 444 HB2 LEU 55 HB3 LEU 55 -1.440 24.554 -8.333 445 HB3 LEU 55 HB2 LEU 55 -0.376 24.754 -6.995 446 HG LEU 55 HG LEU 55 -2.794 23.180 -7.252 447 HD11 LEU 55 HD11 LEU 55 -0.617 22.436 -6.370 448 HD12 LEU 55 HD12 LEU 55 -1.974 22.123 -5.265 449 HD13 LEU 55 HD13 LEU 55 -0.921 23.524 -5.000 450 HD21 LEU 55 HD21 LEU 55 -3.920 25.083 -6.156 451 HD22 LEU 55 HD22 LEU 55 -2.747 24.997 -4.835 452 HD23 LEU 55 HD23 LEU 55 -3.859 23.660 -5.117 453 H GLU 56 H GLU 56 -1.456 27.375 -9.429 454 HA GLU 56 HA GLU 56 0.026 28.586 -10.500 455 HB2 GLU 56 HB3 GLU 56 1.197 29.325 -7.807 456 HB3 GLU 56 HB2 GLU 56 1.688 30.029 -9.336 457 HG2 GLU 56 HG3 GLU 56 -0.637 30.880 -9.606 458 HG3 GLU 56 HG2 GLU 56 -0.977 30.290 -7.980 459 H LEU 57 H LEU 57 0.651 26.779 -11.381 460 HA LEU 57 HA LEU 57 3.325 25.831 -10.637 461 HB2 LEU 57 HB3 LEU 57 1.210 24.426 -12.105 462 HB3 LEU 57 HB2 LEU 57 2.760 23.732 -11.731 463 HG LEU 57 HG LEU 57 0.623 24.405 -9.683 464 HD11 LEU 57 HD11 LEU 57 1.621 21.746 -10.681 465 HD12 LEU 57 HD12 LEU 57 0.050 22.458 -11.050 466 HD13 LEU 57 HD13 LEU 57 0.441 21.996 -9.394 467 HD21 LEU 57 HD21 LEU 57 3.272 23.012 -9.351 468 HD22 LEU 57 HD22 LEU 57 2.087 23.338 -8.080 469 HD23 LEU 57 HD23 LEU 57 2.928 24.672 -8.879 470 H ASN 58 H ASN 58 3.941 24.569 -12.980 471 HA ASN 58 HA ASN 58 3.414 26.278 -15.207 472 HB2 ASN 58 HB3 ASN 58 5.155 27.478 -13.881 473 HB3 ASN 58 HB2 ASN 58 6.157 26.033 -13.926 474 HD21 ASN 58 HD21 ASN 58 5.869 28.561 -17.068 475 HD22 ASN 58 HD22 ASN 58 4.794 28.598 -15.707 476 HA PRO 59 HA PRO 59 4.251 22.304 -17.253 477 HB2 PRO 59 HB3 PRO 59 6.206 23.338 -19.073 478 HB3 PRO 59 HB2 PRO 59 4.516 22.964 -19.405 479 HG2 PRO 59 HG3 PRO 59 5.784 25.558 -18.755 480 HG3 PRO 59 HG2 PRO 59 4.325 25.231 -19.704 481 HD2 PRO 59 HD3 PRO 59 4.197 26.285 -17.256 482 HD3 PRO 59 HD2 PRO 59 2.983 25.109 -17.802 483 H GLN 60 H GLN 60 6.961 24.433 -16.360 484 HA GLN 60 HA GLN 60 9.072 22.634 -16.326 485 HB2 GLN 60 HB3 GLN 60 9.148 25.134 -16.176 486 HB3 GLN 60 HB2 GLN 60 8.560 25.017 -14.534 487 HG2 GLN 60 HG3 GLN 60 11.055 23.702 -15.436 488 HG3 GLN 60 HG2 GLN 60 11.065 25.387 -14.937 489 HE21 GLN 60 HE21 GLN 60 9.952 24.058 -11.546 490 HE22 GLN 60 HE22 GLN 60 9.071 24.896 -12.756 491 H ASP 61 H ASP 61 6.479 23.280 -13.893 492 HA ASP 61 HA ASP 61 7.754 21.844 -11.843 493 HB2 ASP 61 HB3 ASP 61 5.331 23.484 -12.311 494 HB3 ASP 61 HB2 ASP 61 5.459 22.507 -10.882 495 H ILE 62 H ILE 62 5.837 21.076 -14.518 496 HA ILE 62 HA ILE 62 3.991 19.302 -13.418 497 HB ILE 62 HB ILE 62 5.173 19.274 -16.194 498 HG12 ILE 62 HG13 ILE 62 3.960 21.289 -15.573 499 HG13 ILE 62 HG12 ILE 62 3.088 20.356 -16.801 500 HG21 ILE 62 HG21 ILE 62 3.272 17.876 -16.851 501 HG22 ILE 62 HG22 ILE 62 2.766 17.769 -15.166 502 HG23 ILE 62 HG23 ILE 62 4.296 17.053 -15.675 503 HD11 ILE 62 HD11 ILE 62 1.580 21.297 -15.200 504 HD12 ILE 62 HD12 ILE 62 2.460 20.572 -13.863 505 HD13 ILE 62 HD13 ILE 62 1.589 19.543 -15.013 506 HA PRO 63 HA PRO 63 7.093 15.643 -14.061 507 HB2 PRO 63 HB3 PRO 63 9.765 16.680 -14.220 508 HB3 PRO 63 HB2 PRO 63 8.874 15.667 -15.353 509 HG2 PRO 63 HG3 PRO 63 9.561 18.260 -15.929 510 HG3 PRO 63 HG2 PRO 63 8.152 17.436 -16.617 511 HD2 PRO 63 HD3 PRO 63 8.294 19.333 -14.300 512 HD3 PRO 63 HD2 PRO 63 7.107 19.261 -15.626 513 H LYS 64 H LYS 64 7.451 18.253 -12.317 514 HA LYS 64 HA LYS 64 9.217 17.237 -10.246 515 HB2 LYS 64 HB3 LYS 64 7.575 19.748 -10.176 516 HB3 LYS 64 HB2 LYS 64 8.984 19.362 -9.199 517 HG2 LYS 64 HG3 LYS 64 8.989 19.747 -12.175 518 HG3 LYS 64 HG2 LYS 64 9.442 20.966 -11.005 519 HD2 LYS 64 HD3 LYS 64 11.248 19.530 -10.235 520 HD3 LYS 64 HD2 LYS 64 10.812 18.318 -11.457 521 HE2 LYS 64 HE3 LYS 64 11.172 20.060 -13.199 522 HE3 LYS 64 HE2 LYS 64 11.737 21.154 -11.944 523 HZ1 LYS 64 HZ1 LYS 64 12.967 18.588 -12.728 524 HZ2 LYS 64 HZ2 LYS 64 13.547 19.573 -11.475 525 HZ3 LYS 64 HZ3 LYS 64 13.573 20.116 -13.073 526 H TYR 65 H TYR 65 5.837 18.303 -10.578 527 HA TYR 65 HA TYR 65 5.180 17.260 -7.974 528 HB2 TYR 65 HB3 TYR 65 3.593 18.820 -9.999 529 HB3 TYR 65 HB2 TYR 65 2.908 18.180 -8.510 530 HD1 TYR 65 HD1 TYR 65 5.629 20.404 -9.746 531 HD2 TYR 65 HD2 TYR 65 3.027 19.393 -6.593 532 HE1 TYR 65 HE1 TYR 65 6.369 22.395 -8.528 533 HE2 TYR 65 HE2 TYR 65 3.754 21.387 -5.339 534 HH TYR 65 HH TYR 65 5.675 22.861 -5.252 535 H PHE 66 H PHE 66 3.896 16.717 -11.272 536 HA PHE 66 HA PHE 66 2.191 14.623 -10.204 537 HB2 PHE 66 HB3 PHE 66 2.318 15.858 -12.953 538 HB3 PHE 66 HB2 PHE 66 1.140 14.658 -12.439 539 HD1 PHE 66 HD1 PHE 66 -0.563 15.246 -10.765 540 HD2 PHE 66 HD2 PHE 66 2.102 18.151 -12.350 541 HE1 PHE 66 HE1 PHE 66 -2.039 17.031 -9.953 542 HE2 PHE 66 HE2 PHE 66 0.634 19.945 -11.540 543 HZ PHE 66 HZ PHE 66 -1.445 19.383 -10.332 544 H PHE 67 H PHE 67 5.251 14.532 -11.098 545 HA PHE 67 HA PHE 67 5.124 12.421 -13.077 546 HB2 PHE 67 HB3 PHE 67 7.107 14.219 -12.613 547 HB3 PHE 67 HB2 PHE 67 7.631 12.912 -11.588 548 HD1 PHE 67 HD1 PHE 67 8.580 10.924 -12.448 549 HD2 PHE 67 HD2 PHE 67 6.867 13.801 -15.066 550 HE1 PHE 67 HE1 PHE 67 9.593 9.781 -14.368 551 HE2 PHE 67 HE2 PHE 67 7.873 12.661 -16.993 552 HZ PHE 67 HZ PHE 67 9.240 10.646 -16.648 553 H ASN 68 H ASN 68 5.098 12.550 -9.556 554 HA ASN 68 HA ASN 68 5.712 11.200 -7.952 555 HB2 ASN 68 HB3 ASN 68 3.434 10.573 -8.903 556 HB3 ASN 68 HB2 ASN 68 4.274 9.175 -9.580 557 HD21 ASN 68 HD21 ASN 68 3.750 9.638 -5.608 558 HD22 ASN 68 HD22 ASN 68 3.564 10.923 -6.722 559 H ALA 69 H ALA 69 7.834 11.497 -9.430 560 HA ALA 69 HA ALA 69 8.961 8.969 -9.740 561 HB1 ALA 69 HB1 ALA 69 11.122 10.046 -10.042 562 HB2 ALA 69 HB2 ALA 69 10.464 11.567 -9.454 563 HB3 ALA 69 HB3 ALA 69 9.892 10.894 -10.979 564 H LYS 70 H LYS 70 8.159 8.214 -7.694 565 HA LYS 70 HA LYS 70 10.121 8.688 -5.600 566 HB2 LYS 70 HB3 LYS 70 8.651 7.437 -4.140 567 HB3 LYS 70 HB2 LYS 70 7.798 8.812 -4.824 568 HG2 LYS 70 HG3 LYS 70 6.659 7.281 -6.391 569 HG3 LYS 70 HG2 LYS 70 7.536 5.925 -5.684 570 HD2 LYS 70 HD3 LYS 70 5.640 7.732 -4.165 571 HD3 LYS 70 HD2 LYS 70 5.213 6.150 -4.810 572 HE2 LYS 70 HE3 LYS 70 6.881 5.093 -3.365 573 HE3 LYS 70 HE2 LYS 70 7.386 6.668 -2.768 574 HZ1 LYS 70 HZ1 LYS 70 5.246 6.967 -1.730 575 HZ2 LYS 70 HZ2 LYS 70 5.876 5.490 -1.245 576 HZ3 LYS 70 HZ3 LYS 70 4.659 5.542 -2.406 577 H VAL 71 H VAL 71 11.434 7.075 -4.908 578 HA VAL 71 HA VAL 71 11.563 4.717 -6.658 579 HB VAL 71 HB VAL 71 13.511 6.305 -6.542 580 HG11 VAL 71 HG11 VAL 71 14.969 6.309 -4.592 581 HG12 VAL 71 HG12 VAL 71 13.735 5.377 -3.730 582 HG13 VAL 71 HG13 VAL 71 13.369 7.003 -4.301 583 HG21 VAL 71 HG21 VAL 71 15.299 4.613 -6.260 584 HG22 VAL 71 HG22 VAL 71 13.970 4.047 -7.268 585 HG23 VAL 71 HG23 VAL 71 14.104 3.500 -5.596 586 H HIS 72 H HIS 72 9.838 5.236 -4.417 587 HA HIS 72 HA HIS 72 8.945 4.540 -2.583 588 HB2 HIS 72 HB3 HIS 72 8.716 2.137 -2.089 589 HB3 HIS 72 HB2 HIS 72 8.493 2.455 -3.788 590 HD1 HIS 72 HD1 HIS 72 9.868 1.058 -5.370 591 HD2 HIS 72 HD2 HIS 72 11.190 0.758 -1.448 592 HE1 HIS 72 HE1 HIS 72 11.571 -0.765 -5.368 Start of MODEL 16 1 H GLY -1 H GLY -1 8.874 10.884 3.485 2 HA2 GLY -1 HA2 GLY -1 8.897 12.183 1.486 3 HA3 GLY -1 HA3 GLY -1 10.227 12.640 2.555 4 H SER 0 H SER 0 10.855 12.322 -0.004 5 HA SER 0 HA SER 0 12.149 11.276 -1.483 6 HB2 SER 0 HB3 SER 0 13.054 9.600 0.879 7 HB3 SER 0 HB2 SER 0 13.915 9.790 -0.651 8 HG SER 0 HG SER 0 14.503 11.778 -0.115 9 H MET 1 H MET 1 10.638 10.428 -2.783 10 HA MET 1 HA MET 1 10.161 7.572 -2.702 11 HB2 MET 1 HB3 MET 1 8.336 8.550 -1.312 12 HB3 MET 1 HB2 MET 1 7.927 9.632 -2.632 13 HG2 MET 1 HG3 MET 1 7.332 7.653 -3.997 14 HG3 MET 1 HG2 MET 1 7.638 6.639 -2.588 15 HE1 MET 1 HE1 MET 1 4.898 6.746 -4.289 16 HE2 MET 1 HE2 MET 1 3.711 6.669 -2.988 17 HE3 MET 1 HE3 MET 1 5.151 5.652 -2.927 18 H SER 2 H SER 2 9.186 6.907 -4.882 19 HA SER 2 HA SER 2 10.198 8.027 -7.177 20 HB2 SER 2 HB3 SER 2 7.453 6.792 -6.930 21 HB3 SER 2 HB2 SER 2 8.522 6.765 -8.336 22 HG SER 2 HG SER 2 9.711 5.269 -7.458 23 H TYR 3 H TYR 3 6.972 8.647 -5.958 24 HA TYR 3 HA TYR 3 7.380 11.382 -6.801 25 HB2 TYR 3 HB3 TYR 3 4.934 9.769 -7.473 26 HB3 TYR 3 HB2 TYR 3 4.950 11.526 -7.467 27 HD1 TYR 3 HD1 TYR 3 4.728 9.108 -9.650 28 HD2 TYR 3 HD2 TYR 3 7.506 12.152 -8.685 29 HE1 TYR 3 HE1 TYR 3 5.512 9.108 -11.953 30 HE2 TYR 3 HE2 TYR 3 8.310 12.176 -10.989 31 HH TYR 3 HH TYR 3 8.387 10.618 -12.836 32 H ASP 4 H ASP 4 7.732 12.030 -4.737 33 HA ASP 4 HA ASP 4 5.547 11.665 -2.946 34 HB2 ASP 4 HB3 ASP 4 6.908 12.697 -1.318 35 HB3 ASP 4 HB2 ASP 4 8.001 11.646 -2.185 36 H TYR 5 H TYR 5 4.099 13.232 -2.622 37 HA TYR 5 HA TYR 5 4.181 15.389 -4.583 38 HB2 TYR 5 HB3 TYR 5 1.804 14.257 -3.082 39 HB3 TYR 5 HB2 TYR 5 1.734 15.462 -4.355 40 HD1 TYR 5 HD1 TYR 5 1.745 11.986 -3.561 41 HD2 TYR 5 HD2 TYR 5 2.444 14.724 -6.774 42 HE1 TYR 5 HE1 TYR 5 1.495 10.158 -5.180 43 HE2 TYR 5 HE2 TYR 5 2.199 12.894 -8.374 44 HH TYR 5 HH TYR 5 0.873 9.919 -7.562 45 H SER 6 H SER 6 5.460 15.330 -1.839 46 HA SER 6 HA SER 6 4.099 16.811 0.068 47 HB2 SER 6 HB3 SER 6 7.044 17.046 -0.524 48 HB3 SER 6 HB2 SER 6 6.247 17.177 1.048 49 HG SER 6 HG SER 6 7.071 15.004 -0.355 50 H SER 7 H SER 7 6.281 18.114 -2.489 51 HA SER 7 HA SER 7 5.881 20.826 -1.908 52 HB2 SER 7 HB3 SER 7 6.594 19.415 -4.468 53 HB3 SER 7 HB2 SER 7 6.713 21.156 -4.264 54 HG SER 7 HG SER 7 8.154 20.726 -2.513 55 H LEU 8 H LEU 8 4.032 18.540 -3.613 56 HA LEU 8 HA LEU 8 2.407 20.417 -5.083 57 HB2 LEU 8 HB3 LEU 8 3.194 18.090 -5.811 58 HB3 LEU 8 HB2 LEU 8 2.078 17.448 -4.663 59 HG LEU 8 HG LEU 8 1.158 19.125 -7.011 60 HD11 LEU 8 HD11 LEU 8 2.385 17.007 -7.655 61 HD12 LEU 8 HD12 LEU 8 0.684 17.071 -8.111 62 HD13 LEU 8 HD13 LEU 8 1.171 16.140 -6.698 63 HD21 LEU 8 HD21 LEU 8 -0.187 17.110 -5.295 64 HD22 LEU 8 HD22 LEU 8 -0.943 18.128 -6.551 65 HD23 LEU 8 HD23 LEU 8 -0.286 18.865 -5.059 66 H LEU 9 H LEU 9 2.096 18.350 -2.259 67 HA LEU 9 HA LEU 9 -0.534 18.963 -1.573 68 HB2 LEU 9 HB3 LEU 9 1.903 17.978 -0.181 69 HB3 LEU 9 HB2 LEU 9 0.413 18.120 0.678 70 HG LEU 9 HG LEU 9 0.984 16.329 -1.692 71 HD11 LEU 9 HD11 LEU 9 0.722 14.517 -0.096 72 HD12 LEU 9 HD12 LEU 9 0.493 15.687 1.206 73 HD13 LEU 9 HD13 LEU 9 2.041 15.591 0.364 74 HD21 LEU 9 HD21 LEU 9 -1.240 15.350 -1.250 75 HD22 LEU 9 HD22 LEU 9 -1.338 17.024 -1.776 76 HD23 LEU 9 HD23 LEU 9 -1.551 16.623 -0.069 77 H GLY 10 H GLY 10 2.593 20.346 -0.717 78 HA2 GLY 10 HA3 GLY 10 1.779 22.089 1.273 79 HA3 GLY 10 HA2 GLY 10 3.174 22.310 0.222 80 H LYS 11 H LYS 11 1.976 22.746 -2.311 81 HA LYS 11 HA LYS 11 1.204 25.380 -1.959 82 HB2 LYS 11 HB3 LYS 11 1.277 25.396 -4.354 83 HB3 LYS 11 HB2 LYS 11 2.590 24.447 -3.769 84 HG2 LYS 11 HG3 LYS 11 1.888 23.237 -5.563 85 HG3 LYS 11 HG2 LYS 11 1.003 22.436 -4.248 86 HD2 LYS 11 HD3 LYS 11 -0.891 23.833 -4.700 87 HD3 LYS 11 HD2 LYS 11 -0.052 24.629 -6.020 88 HE2 LYS 11 HE3 LYS 11 -1.445 22.986 -7.060 89 HE3 LYS 11 HE2 LYS 11 0.203 22.370 -7.122 90 HZ1 LYS 11 HZ1 LYS 11 -1.926 21.581 -5.244 91 HZ2 LYS 11 HZ2 LYS 11 -0.347 21.075 -5.084 92 HZ3 LYS 11 HZ3 LYS 11 -1.251 20.614 -6.455 93 H ILE 12 H ILE 12 -0.549 22.415 -1.952 94 HA ILE 12 HA ILE 12 -3.086 23.407 -2.783 95 HB ILE 12 HB ILE 12 -2.364 21.053 -1.001 96 HG12 ILE 12 HG13 ILE 12 -3.132 21.206 -3.904 97 HG13 ILE 12 HG12 ILE 12 -1.543 20.847 -3.261 98 HG21 ILE 12 HG21 ILE 12 -4.654 20.237 -1.391 99 HG22 ILE 12 HG22 ILE 12 -5.033 21.742 -2.231 100 HG23 ILE 12 HG23 ILE 12 -4.636 21.769 -0.513 101 HD11 ILE 12 HD11 ILE 12 -2.421 18.796 -2.243 102 HD12 ILE 12 HD12 ILE 12 -2.586 18.819 -3.997 103 HD13 ILE 12 HD13 ILE 12 -3.994 19.126 -2.975 104 H THR 13 H THR 13 -1.478 22.929 0.313 105 HA THR 13 HA THR 13 -3.549 23.657 1.993 106 HB THR 13 HB THR 13 -0.606 24.041 2.449 107 HG1 THR 13 HG1 THR 13 -0.464 21.926 2.506 108 HG21 THR 13 HG21 THR 13 -2.091 24.957 4.170 109 HG22 THR 13 HG22 THR 13 -1.219 23.555 4.788 110 HG23 THR 13 HG23 THR 13 -2.915 23.408 4.292 111 H GLU 14 H GLU 14 -1.117 25.590 0.371 112 HA GLU 14 HA GLU 14 -1.904 27.888 1.867 113 HB2 GLU 14 HB3 GLU 14 0.180 27.324 -0.070 114 HB3 GLU 14 HB2 GLU 14 -0.027 28.979 0.556 115 HG2 GLU 14 HG3 GLU 14 0.297 28.102 2.826 116 HG3 GLU 14 HG2 GLU 14 0.463 26.476 2.175 117 H LYS 15 H LYS 15 -2.791 26.568 -1.230 118 HA LYS 15 HA LYS 15 -3.735 29.105 -2.160 119 HB2 LYS 15 HB3 LYS 15 -2.950 26.577 -3.174 120 HB3 LYS 15 HB2 LYS 15 -4.577 26.957 -3.717 121 HG2 LYS 15 HG3 LYS 15 -2.922 27.698 -5.333 122 HG3 LYS 15 HG2 LYS 15 -3.647 29.113 -4.561 123 HD2 LYS 15 HD3 LYS 15 -1.726 29.187 -3.000 124 HD3 LYS 15 HD2 LYS 15 -1.026 27.839 -3.862 125 HE2 LYS 15 HE3 LYS 15 -0.056 29.932 -4.678 126 HE3 LYS 15 HE2 LYS 15 -0.943 29.015 -5.900 127 HZ1 LYS 15 HZ1 LYS 15 -1.513 31.398 -6.105 128 HZ2 LYS 15 HZ2 LYS 15 -1.917 31.455 -4.490 129 HZ3 LYS 15 HZ3 LYS 15 -2.854 30.552 -5.544 130 H CYS 16 H CYS 16 -4.880 25.895 -1.151 131 HA CYS 16 HA CYS 16 -7.601 26.753 -1.490 132 HB2 CYS 16 HB3 CYS 16 -6.276 24.065 -1.371 133 HB3 CYS 16 HB2 CYS 16 -7.967 24.393 -1.686 134 HG CYS 16 HG CYS 16 -7.190 25.927 -4.058 135 H GLY 17 H GLY 17 -5.370 24.782 0.457 136 HA2 GLY 17 HA3 GLY 17 -5.527 25.404 2.917 137 HA3 GLY 17 HA2 GLY 17 -7.218 25.167 2.612 138 H THR 18 H THR 18 -7.560 23.072 1.344 139 HA THR 18 HA THR 18 -6.136 20.832 2.579 140 HB THR 18 HB THR 18 -8.335 19.822 3.216 141 HG1 THR 18 HG1 THR 18 -10.069 21.419 3.378 142 HG21 THR 18 HG21 THR 18 -8.732 21.303 5.196 143 HG22 THR 18 HG22 THR 18 -7.701 22.508 4.385 144 HG23 THR 18 HG23 THR 18 -7.013 20.982 4.899 145 H GLN 19 H GLN 19 -7.306 18.745 1.661 146 HA GLN 19 HA GLN 19 -7.177 18.905 -1.184 147 HB2 GLN 19 HB3 GLN 19 -7.945 16.681 0.692 148 HB3 GLN 19 HB2 GLN 19 -7.982 16.488 -1.053 149 HG2 GLN 19 HG3 GLN 19 -5.887 15.604 -0.411 150 HG3 GLN 19 HG2 GLN 19 -5.694 17.259 -1.034 151 HE21 GLN 19 HE21 GLN 19 -4.151 18.540 1.767 152 HE22 GLN 19 HE22 GLN 19 -4.688 18.748 0.145 153 H TYR 20 H TYR 20 -9.538 18.871 1.132 154 HA TYR 20 HA TYR 20 -11.940 18.509 -0.319 155 HB2 TYR 20 HB3 TYR 20 -11.671 18.799 2.206 156 HB3 TYR 20 HB2 TYR 20 -11.580 20.502 1.887 157 HD1 TYR 20 HD1 TYR 20 -13.483 21.822 1.722 158 HD2 TYR 20 HD2 TYR 20 -13.800 17.635 1.327 159 HE1 TYR 20 HE1 TYR 20 -15.955 22.025 1.739 160 HE2 TYR 20 HE2 TYR 20 -16.258 17.793 1.346 161 HH TYR 20 HH TYR 20 -17.969 19.260 2.063 162 H ASN 21 H ASN 21 -10.368 21.463 0.681 163 HA ASN 21 HA ASN 21 -11.893 23.252 -0.844 164 HB2 ASN 21 HB3 ASN 21 -9.075 23.506 0.145 165 HB3 ASN 21 HB2 ASN 21 -9.997 24.819 -0.552 166 HD21 ASN 21 HD21 ASN 21 -10.024 24.866 3.202 167 HD22 ASN 21 HD22 ASN 21 -8.858 24.836 1.972 168 H PHE 22 H PHE 22 -8.885 21.646 -1.502 169 HA PHE 22 HA PHE 22 -8.084 22.627 -3.975 170 HB2 PHE 22 HB3 PHE 22 -6.998 20.867 -2.489 171 HB3 PHE 22 HB2 PHE 22 -8.133 19.750 -3.155 172 HD1 PHE 22 HD1 PHE 22 -7.424 18.349 -4.797 173 HD2 PHE 22 HD2 PHE 22 -5.678 22.211 -4.516 174 HE1 PHE 22 HE1 PHE 22 -5.921 17.792 -6.656 175 HE2 PHE 22 HE2 PHE 22 -4.166 21.661 -6.384 176 HZ PHE 22 HZ PHE 22 -4.286 19.451 -7.454 177 H ALA 23 H ALA 23 -10.174 19.936 -3.243 178 HA ALA 23 HA ALA 23 -11.011 19.175 -5.787 179 HB1 ALA 23 HB1 ALA 23 -12.644 19.142 -3.234 180 HB2 ALA 23 HB2 ALA 23 -11.500 17.914 -3.734 181 HB3 ALA 23 HB3 ALA 23 -12.965 18.183 -4.678 182 H ILE 24 H ILE 24 -12.522 21.469 -3.521 183 HA ILE 24 HA ILE 24 -14.708 22.300 -5.018 184 HB ILE 24 HB ILE 24 -13.105 23.916 -3.049 185 HG12 ILE 24 HG13 ILE 24 -15.440 22.067 -2.913 186 HG13 ILE 24 HG12 ILE 24 -13.905 21.918 -2.075 187 HG21 ILE 24 HG21 ILE 24 -15.909 24.369 -4.135 188 HG22 ILE 24 HG22 ILE 24 -14.505 25.373 -4.481 189 HG23 ILE 24 HG23 ILE 24 -15.150 25.297 -2.840 190 HD11 ILE 24 HD11 ILE 24 -14.458 23.868 -0.729 191 HD12 ILE 24 HD12 ILE 24 -15.688 22.577 -0.583 192 HD13 ILE 24 HD13 ILE 24 -15.969 23.977 -1.641 193 H ALA 25 H ALA 25 -11.572 23.781 -4.712 194 HA ALA 25 HA ALA 25 -11.880 25.912 -6.485 195 HB1 ALA 25 HB1 ALA 25 -9.320 24.441 -5.865 196 HB2 ALA 25 HB2 ALA 25 -10.050 25.683 -4.855 197 HB3 ALA 25 HB3 ALA 25 -9.463 26.096 -6.464 198 H MET 26 H MET 26 -10.688 22.646 -7.100 199 HA MET 26 HA MET 26 -10.222 23.149 -9.881 200 HB2 MET 26 HB3 MET 26 -10.145 20.717 -8.178 201 HB3 MET 26 HB2 MET 26 -10.021 20.519 -9.901 202 HG2 MET 26 HG3 MET 26 -8.079 22.202 -9.747 203 HG3 MET 26 HG2 MET 26 -8.166 21.941 -8.006 204 HE1 MET 26 HE1 MET 26 -8.723 19.328 -10.972 205 HE2 MET 26 HE2 MET 26 -7.093 18.679 -11.112 206 HE3 MET 26 HE3 MET 26 -7.406 20.362 -11.519 207 H GLY 27 H GLY 27 -13.007 22.383 -8.136 208 HA2 GLY 27 HA3 GLY 27 -15.184 22.328 -9.008 209 HA3 GLY 27 HA2 GLY 27 -14.509 22.126 -10.623 210 H LEU 28 H LEU 28 -13.348 20.195 -8.093 211 HA LEU 28 HA LEU 28 -14.494 17.755 -9.290 212 HB2 LEU 28 HB3 LEU 28 -12.073 18.275 -7.587 213 HB3 LEU 28 HB2 LEU 28 -12.645 16.681 -8.015 214 HG LEU 28 HG LEU 28 -11.728 18.731 -10.033 215 HD11 LEU 28 HD11 LEU 28 -9.896 18.023 -8.560 216 HD12 LEU 28 HD12 LEU 28 -9.721 17.311 -10.171 217 HD13 LEU 28 HD13 LEU 28 -10.353 16.343 -8.828 218 HD21 LEU 28 HD21 LEU 28 -13.293 17.100 -10.872 219 HD22 LEU 28 HD22 LEU 28 -12.323 15.822 -10.126 220 HD23 LEU 28 HD23 LEU 28 -11.653 16.759 -11.474 221 H SER 29 H SER 29 -14.720 16.011 -7.652 222 HA SER 29 HA SER 29 -16.010 17.045 -5.260 223 HB2 SER 29 HB3 SER 29 -17.183 15.325 -6.730 224 HB3 SER 29 HB2 SER 29 -15.864 14.225 -6.319 225 HG SER 29 HG SER 29 -17.003 15.205 -4.015 226 H GLU 30 H GLU 30 -15.293 16.289 -3.290 227 HA GLU 30 HA GLU 30 -12.493 16.243 -3.073 228 HB2 GLU 30 HB3 GLU 30 -12.829 15.991 -0.641 229 HB3 GLU 30 HB2 GLU 30 -13.723 17.321 -1.340 230 HG2 GLU 30 HG3 GLU 30 -14.872 14.642 -0.654 231 HG3 GLU 30 HG2 GLU 30 -14.931 16.075 0.380 232 H ARG 31 H ARG 31 -14.877 13.700 -2.927 233 HA ARG 31 HA ARG 31 -13.057 11.714 -2.136 234 HB2 ARG 31 HB3 ARG 31 -14.693 10.201 -3.131 235 HB3 ARG 31 HB2 ARG 31 -15.227 11.154 -1.743 236 HG2 ARG 31 HG3 ARG 31 -16.383 12.620 -3.381 237 HG3 ARG 31 HG2 ARG 31 -15.902 11.480 -4.654 238 HD2 ARG 31 HD3 ARG 31 -16.820 9.713 -3.395 239 HD3 ARG 31 HD2 ARG 31 -17.382 10.827 -2.172 240 HE ARG 31 HE ARG 31 -18.383 11.664 -4.673 241 HH11 ARG 31 HH11 ARG 31 -18.983 9.103 -2.299 242 HH12 ARG 31 HH12 ARG 31 -20.631 8.948 -2.668 243 HH21 ARG 31 HH21 ARG 31 -20.652 11.490 -5.146 244 HH22 ARG 31 HH22 ARG 31 -21.617 10.348 -4.331 245 H THR 32 H THR 32 -14.009 12.942 -5.254 246 HA THR 32 HA THR 32 -12.748 10.994 -6.880 247 HB THR 32 HB THR 32 -13.115 13.923 -7.584 248 HG1 THR 32 HG1 THR 32 -15.051 11.848 -7.447 249 HG21 THR 32 HG21 THR 32 -13.621 13.001 -9.800 250 HG22 THR 32 HG22 THR 32 -13.429 11.365 -9.175 251 HG23 THR 32 HG23 THR 32 -12.039 12.447 -9.254 252 H VAL 33 H VAL 33 -11.750 14.084 -5.481 253 HA VAL 33 HA VAL 33 -9.178 14.220 -6.469 254 HB VAL 33 HB VAL 33 -10.631 15.418 -4.118 255 HG11 VAL 33 HG11 VAL 33 -8.258 15.332 -3.554 256 HG12 VAL 33 HG12 VAL 33 -8.822 16.973 -4.058 257 HG13 VAL 33 HG13 VAL 33 -7.882 15.964 -5.180 258 HG21 VAL 33 HG21 VAL 33 -10.430 17.288 -5.455 259 HG22 VAL 33 HG22 VAL 33 -11.139 15.880 -6.370 260 HG23 VAL 33 HG23 VAL 33 -9.400 16.309 -6.518 261 H SER 34 H SER 34 -10.589 12.695 -3.673 262 HA SER 34 HA SER 34 -8.123 12.427 -2.762 263 HB2 SER 34 HB3 SER 34 -10.621 11.087 -1.758 264 HB3 SER 34 HB2 SER 34 -9.094 10.975 -0.874 265 HG SER 34 HG SER 34 -10.555 13.322 -1.527 266 H LEU 35 H LEU 35 -9.832 10.751 -5.052 267 HA LEU 35 HA LEU 35 -8.505 8.193 -4.832 268 HB2 LEU 35 HB3 LEU 35 -10.191 9.305 -7.076 269 HB3 LEU 35 HB2 LEU 35 -9.649 7.649 -6.925 270 HG LEU 35 HG LEU 35 -11.592 9.056 -5.117 271 HD11 LEU 35 HD11 LEU 35 -12.542 8.564 -7.289 272 HD12 LEU 35 HD12 LEU 35 -13.238 7.504 -6.066 273 HD13 LEU 35 HD13 LEU 35 -12.007 6.889 -7.169 274 HD21 LEU 35 HD21 LEU 35 -10.643 6.188 -5.066 275 HD22 LEU 35 HD22 LEU 35 -11.963 6.853 -4.104 276 HD23 LEU 35 HD23 LEU 35 -10.320 7.431 -3.854 277 H LYS 36 H LYS 36 -8.604 10.941 -7.132 278 HA LYS 36 HA LYS 36 -6.621 10.116 -8.834 279 HB2 LYS 36 HB3 LYS 36 -7.935 12.670 -8.234 280 HB3 LYS 36 HB2 LYS 36 -6.542 12.660 -9.294 281 HG2 LYS 36 HG3 LYS 36 -7.629 11.481 -10.934 282 HG3 LYS 36 HG2 LYS 36 -8.764 10.747 -9.790 283 HD2 LYS 36 HD3 LYS 36 -9.744 12.724 -9.393 284 HD3 LYS 36 HD2 LYS 36 -8.687 13.668 -10.460 285 HE2 LYS 36 HE3 LYS 36 -10.522 11.417 -11.355 286 HE3 LYS 36 HE2 LYS 36 -10.930 13.125 -11.489 287 HZ1 LYS 36 HZ1 LYS 36 -10.064 12.151 -13.556 288 HZ2 LYS 36 HZ2 LYS 36 -8.569 11.871 -12.837 289 HZ3 LYS 36 HZ3 LYS 36 -9.157 13.454 -13.022 290 H LEU 37 H LEU 37 -6.527 12.333 -6.075 291 HA LEU 37 HA LEU 37 -3.747 12.925 -6.513 292 HB2 LEU 37 HB3 LEU 37 -5.154 14.739 -6.054 293 HB3 LEU 37 HB2 LEU 37 -5.869 14.103 -4.641 294 HG LEU 37 HG LEU 37 -3.443 14.239 -3.753 295 HD11 LEU 37 HD11 LEU 37 -2.356 14.870 -5.688 296 HD12 LEU 37 HD12 LEU 37 -2.397 16.319 -4.644 297 HD13 LEU 37 HD13 LEU 37 -3.567 16.119 -5.979 298 HD21 LEU 37 HD21 LEU 37 -5.331 15.386 -2.789 299 HD22 LEU 37 HD22 LEU 37 -5.264 16.607 -4.062 300 HD23 LEU 37 HD23 LEU 37 -3.953 16.482 -2.888 301 H ASN 38 H ASN 38 -5.065 10.331 -5.349 302 HA ASN 38 HA ASN 38 -3.193 10.277 -3.151 303 HB2 ASN 38 HB3 ASN 38 -5.612 9.885 -2.626 304 HB3 ASN 38 HB2 ASN 38 -5.483 8.384 -3.524 305 HD21 ASN 38 HD21 ASN 38 -5.123 7.816 0.100 306 HD22 ASN 38 HD22 ASN 38 -6.226 8.595 -0.984 307 H ASP 39 H ASP 39 -4.812 7.869 -5.309 308 HA ASP 39 HA ASP 39 -2.219 6.660 -5.937 309 HB2 ASP 39 HB3 ASP 39 -2.521 4.613 -4.762 310 HB3 ASP 39 HB2 ASP 39 -2.641 5.960 -3.629 311 H LYS 40 H LYS 40 -5.771 6.689 -6.634 312 HA LYS 40 HA LYS 40 -5.502 4.152 -7.953 313 HB2 LYS 40 HB3 LYS 40 -7.894 5.929 -7.831 314 HB3 LYS 40 HB2 LYS 40 -7.731 4.299 -8.344 315 HG2 LYS 40 HG3 LYS 40 -7.070 3.582 -6.060 316 HG3 LYS 40 HG2 LYS 40 -7.455 5.208 -5.497 317 HD2 LYS 40 HD3 LYS 40 -9.358 3.737 -5.086 318 HD3 LYS 40 HD2 LYS 40 -9.767 4.914 -6.339 319 HE2 LYS 40 HE3 LYS 40 -9.404 3.272 -8.075 320 HE3 LYS 40 HE2 LYS 40 -8.842 2.094 -6.890 321 HZ1 LYS 40 HZ1 LYS 40 -11.589 3.227 -7.013 322 HZ2 LYS 40 HZ2 LYS 40 -11.046 2.004 -5.969 323 HZ3 LYS 40 HZ3 LYS 40 -11.101 1.739 -7.636 324 H VAL 41 H VAL 41 -5.626 7.547 -8.720 325 HA VAL 41 HA VAL 41 -6.166 6.569 -11.389 326 HB VAL 41 HB VAL 41 -7.292 9.220 -10.979 327 HG11 VAL 41 HG11 VAL 41 -8.300 6.598 -11.715 328 HG12 VAL 41 HG12 VAL 41 -7.585 7.731 -12.903 329 HG13 VAL 41 HG13 VAL 41 -9.155 8.090 -12.093 330 HG21 VAL 41 HG21 VAL 41 -9.255 8.531 -9.720 331 HG22 VAL 41 HG22 VAL 41 -7.816 8.295 -8.720 332 HG23 VAL 41 HG23 VAL 41 -8.583 6.918 -9.518 333 H THR 42 H THR 42 -5.977 8.657 -12.900 334 HA THR 42 HA THR 42 -3.151 9.325 -12.630 335 HB THR 42 HB THR 42 -3.383 9.608 -15.112 336 HG1 THR 42 HG1 THR 42 -5.817 9.716 -14.904 337 HG21 THR 42 HG21 THR 42 -2.428 7.575 -14.104 338 HG22 THR 42 HG22 THR 42 -3.368 7.185 -15.550 339 HG23 THR 42 HG23 THR 42 -4.046 6.910 -13.944 340 H TRP 43 H TRP 43 -2.512 11.362 -13.375 341 HA TRP 43 HA TRP 43 -4.622 13.334 -13.663 342 HB2 TRP 43 HB3 TRP 43 -1.667 13.591 -13.146 343 HB3 TRP 43 HB2 TRP 43 -2.637 14.942 -13.709 344 HD1 TRP 43 HD1 TRP 43 -4.613 15.770 -12.015 345 HE1 TRP 43 HE1 TRP 43 -4.625 15.808 -9.458 346 HE3 TRP 43 HE3 TRP 43 -0.918 12.371 -11.157 347 HZ2 TRP 43 HZ2 TRP 43 -3.240 14.592 -7.365 348 HZ3 TRP 43 HZ3 TRP 43 -0.309 11.855 -8.829 349 HH2 TRP 43 HH2 TRP 43 -1.447 12.938 -6.969 350 H LYS 44 H LYS 44 -5.298 13.168 -15.695 351 HA LYS 44 HA LYS 44 -3.567 12.747 -17.913 352 HB2 LYS 44 HB3 LYS 44 -6.310 14.040 -17.824 353 HB3 LYS 44 HB2 LYS 44 -5.514 13.395 -19.241 354 HG2 LYS 44 HG3 LYS 44 -6.458 11.783 -16.873 355 HG3 LYS 44 HG2 LYS 44 -7.302 11.920 -18.411 356 HD2 LYS 44 HD3 LYS 44 -5.379 10.858 -19.535 357 HD3 LYS 44 HD2 LYS 44 -4.559 10.716 -17.979 358 HE2 LYS 44 HE3 LYS 44 -6.396 9.307 -17.149 359 HE3 LYS 44 HE2 LYS 44 -7.197 9.437 -18.710 360 HZ1 LYS 44 HZ1 LYS 44 -4.542 8.198 -18.224 361 HZ2 LYS 44 HZ2 LYS 44 -5.322 8.285 -19.720 362 HZ3 LYS 44 HZ3 LYS 44 -5.977 7.366 -18.478 363 H ASP 45 H ASP 45 -3.267 14.565 -19.560 364 HA ASP 45 HA ASP 45 -2.069 16.727 -18.234 365 HB2 ASP 45 HB3 ASP 45 -1.290 15.982 -20.435 366 HB3 ASP 45 HB2 ASP 45 -2.790 16.523 -21.170 367 H ASP 46 H ASP 46 -5.223 16.420 -19.620 368 HA ASP 46 HA ASP 46 -6.118 19.097 -19.414 369 HB2 ASP 46 HB3 ASP 46 -7.708 16.568 -18.960 370 HB3 ASP 46 HB2 ASP 46 -8.420 18.166 -19.069 371 H GLU 47 H GLU 47 -5.902 16.550 -17.010 372 HA GLU 47 HA GLU 47 -7.405 17.830 -14.937 373 HB2 GLU 47 HB3 GLU 47 -5.152 15.817 -14.644 374 HB3 GLU 47 HB2 GLU 47 -6.333 16.229 -13.418 375 HG2 GLU 47 HG3 GLU 47 -6.961 14.885 -16.036 376 HG3 GLU 47 HG2 GLU 47 -6.721 14.049 -14.508 377 H ILE 48 H ILE 48 -4.043 17.533 -15.752 378 HA ILE 48 HA ILE 48 -2.905 18.999 -13.670 379 HB ILE 48 HB ILE 48 -1.879 18.645 -16.510 380 HG12 ILE 48 HG13 ILE 48 -1.292 17.063 -13.991 381 HG13 ILE 48 HG12 ILE 48 -2.314 16.526 -15.317 382 HG21 ILE 48 HG21 ILE 48 -0.391 19.449 -14.000 383 HG22 ILE 48 HG22 ILE 48 -0.736 20.491 -15.381 384 HG23 ILE 48 HG23 ILE 48 0.347 19.113 -15.567 385 HD11 ILE 48 HD11 ILE 48 0.643 17.076 -15.479 386 HD12 ILE 48 HD12 ILE 48 -0.376 16.525 -16.809 387 HD13 ILE 48 HD13 ILE 48 -0.120 15.490 -15.403 388 H LEU 49 H LEU 49 -3.895 20.101 -17.005 389 HA LEU 49 HA LEU 49 -3.133 22.669 -16.941 390 HB2 LEU 49 HB3 LEU 49 -5.503 21.281 -18.098 391 HB3 LEU 49 HB2 LEU 49 -5.125 22.944 -18.422 392 HG LEU 49 HG LEU 49 -3.425 20.564 -19.135 393 HD11 LEU 49 HD11 LEU 49 -4.028 21.142 -21.443 394 HD12 LEU 49 HD12 LEU 49 -5.069 22.433 -20.830 395 HD13 LEU 49 HD13 LEU 49 -5.452 20.755 -20.473 396 HD21 LEU 49 HD21 LEU 49 -3.034 23.502 -19.701 397 HD22 LEU 49 HD22 LEU 49 -2.094 22.198 -20.420 398 HD23 LEU 49 HD23 LEU 49 -2.011 22.484 -18.682 399 H LYS 50 H LYS 50 -6.155 21.262 -15.745 400 HA LYS 50 HA LYS 50 -7.454 23.696 -15.075 401 HB2 LYS 50 HB3 LYS 50 -8.193 21.127 -15.157 402 HB3 LYS 50 HB2 LYS 50 -8.020 21.411 -13.428 403 HG2 LYS 50 HG3 LYS 50 -10.066 22.079 -13.693 404 HG3 LYS 50 HG2 LYS 50 -9.299 23.632 -13.935 405 HD2 LYS 50 HD3 LYS 50 -10.402 21.763 -16.065 406 HD3 LYS 50 HD2 LYS 50 -11.094 23.300 -15.566 407 HE2 LYS 50 HE3 LYS 50 -9.172 24.480 -16.435 408 HE3 LYS 50 HE2 LYS 50 -8.411 22.904 -16.734 409 HZ1 LYS 50 HZ1 LYS 50 -10.889 23.860 -18.092 410 HZ2 LYS 50 HZ2 LYS 50 -10.038 22.433 -18.406 411 HZ3 LYS 50 HZ3 LYS 50 -9.344 23.918 -18.768 412 H ALA 51 H ALA 51 -5.482 21.494 -13.147 413 HA ALA 51 HA ALA 51 -5.766 22.983 -10.755 414 HB1 ALA 51 HB1 ALA 51 -3.539 21.096 -11.552 415 HB2 ALA 51 HB2 ALA 51 -5.050 20.630 -10.771 416 HB3 ALA 51 HB3 ALA 51 -3.892 21.647 -9.914 417 H VAL 52 H VAL 52 -3.344 22.991 -13.297 418 HA VAL 52 HA VAL 52 -1.483 24.761 -12.222 419 HB VAL 52 HB VAL 52 -2.263 24.300 -15.120 420 HG11 VAL 52 HG11 VAL 52 -1.105 26.469 -14.920 421 HG12 VAL 52 HG12 VAL 52 -0.120 25.276 -15.759 422 HG13 VAL 52 HG13 VAL 52 0.233 25.682 -14.084 423 HG21 VAL 52 HG21 VAL 52 -0.017 23.274 -13.433 424 HG22 VAL 52 HG22 VAL 52 -0.258 22.933 -15.153 425 HG23 VAL 52 HG23 VAL 52 -1.429 22.366 -13.966 426 H HIS 53 H HIS 53 -4.468 25.399 -13.850 427 HA HIS 53 HA HIS 53 -3.986 28.188 -14.233 428 HB2 HIS 53 HB3 HIS 53 -5.544 26.556 -15.503 429 HB3 HIS 53 HB2 HIS 53 -6.677 26.900 -14.221 430 HD1 HIS 53 HD1 HIS 53 -5.550 28.214 -17.416 431 HD2 HIS 53 HD2 HIS 53 -7.332 29.749 -14.001 432 HE1 HIS 53 HE1 HIS 53 -6.496 30.424 -18.089 433 H VAL 54 H VAL 54 -5.430 26.223 -11.756 434 HA VAL 54 HA VAL 54 -6.902 28.469 -10.592 435 HB VAL 54 HB VAL 54 -6.807 25.531 -9.848 436 HG11 VAL 54 HG11 VAL 54 -8.535 27.730 -8.704 437 HG12 VAL 54 HG12 VAL 54 -7.263 26.805 -7.879 438 HG13 VAL 54 HG13 VAL 54 -8.730 25.995 -8.410 439 HG21 VAL 54 HG21 VAL 54 -9.113 25.480 -10.708 440 HG22 VAL 54 HG22 VAL 54 -7.922 25.872 -11.938 441 HG23 VAL 54 HG23 VAL 54 -8.930 27.154 -11.254 442 H LEU 55 H LEU 55 -4.575 25.958 -9.568 443 HA LEU 55 HA LEU 55 -3.977 27.037 -7.110 444 HB2 LEU 55 HB3 LEU 55 -3.043 24.966 -8.989 445 HB3 LEU 55 HB2 LEU 55 -2.123 25.323 -7.584 446 HG LEU 55 HG LEU 55 -3.607 23.396 -7.549 447 HD11 LEU 55 HD11 LEU 55 -4.143 25.516 -5.437 448 HD12 LEU 55 HD12 LEU 55 -2.801 24.377 -5.439 449 HD13 LEU 55 HD13 LEU 55 -4.447 23.798 -5.189 450 HD21 LEU 55 HD21 LEU 55 -5.854 25.377 -7.367 451 HD22 LEU 55 HD22 LEU 55 -6.017 23.665 -6.974 452 HD23 LEU 55 HD23 LEU 55 -5.590 24.155 -8.613 453 H GLU 56 H GLU 56 -3.128 27.926 -10.212 454 HA GLU 56 HA GLU 56 -1.691 29.319 -11.158 455 HB2 GLU 56 HB3 GLU 56 -0.979 30.163 -8.355 456 HB3 GLU 56 HB2 GLU 56 -0.635 31.062 -9.828 457 HG2 GLU 56 HG3 GLU 56 -2.984 31.369 -10.238 458 HG3 GLU 56 HG2 GLU 56 -3.382 30.359 -8.849 459 H LEU 57 H LEU 57 -0.676 27.398 -11.761 460 HA LEU 57 HA LEU 57 2.043 27.150 -10.676 461 HB2 LEU 57 HB3 LEU 57 0.470 25.187 -12.180 462 HB3 LEU 57 HB2 LEU 57 2.059 24.882 -11.519 463 HG LEU 57 HG LEU 57 -0.516 25.239 -9.958 464 HD11 LEU 57 HD11 LEU 57 1.279 22.847 -10.299 465 HD12 LEU 57 HD12 LEU 57 -0.315 23.065 -11.022 466 HD13 LEU 57 HD13 LEU 57 -0.152 22.928 -9.272 467 HD21 LEU 57 HD21 LEU 57 2.292 24.779 -8.944 468 HD22 LEU 57 HD22 LEU 57 0.830 24.745 -7.962 469 HD23 LEU 57 HD23 LEU 57 1.335 26.247 -8.736 470 H ASN 58 H ASN 58 3.327 25.973 -12.681 471 HA ASN 58 HA ASN 58 2.705 27.473 -15.101 472 HB2 ASN 58 HB3 ASN 58 4.398 28.719 -13.725 473 HB3 ASN 58 HB2 ASN 58 5.435 27.301 -13.788 474 HD21 ASN 58 HD21 ASN 58 5.098 29.791 -16.924 475 HD22 ASN 58 HD22 ASN 58 4.050 29.884 -15.545 476 HA PRO 59 HA PRO 59 3.469 23.452 -16.990 477 HB2 PRO 59 HB3 PRO 59 4.838 24.390 -19.260 478 HB3 PRO 59 HB2 PRO 59 3.100 24.120 -19.130 479 HG2 PRO 59 HG3 PRO 59 4.658 26.640 -18.843 480 HG3 PRO 59 HG2 PRO 59 3.049 26.393 -19.545 481 HD2 PRO 59 HD3 PRO 59 3.349 27.490 -17.142 482 HD3 PRO 59 HD2 PRO 59 2.022 26.351 -17.453 483 H GLN 60 H GLN 60 6.113 25.748 -16.591 484 HA GLN 60 HA GLN 60 8.146 23.753 -17.077 485 HB2 GLN 60 HB3 GLN 60 8.412 26.506 -15.881 486 HB3 GLN 60 HB2 GLN 60 9.708 25.515 -16.535 487 HG2 GLN 60 HG3 GLN 60 8.697 25.671 -18.756 488 HG3 GLN 60 HG2 GLN 60 7.412 26.678 -18.093 489 HE21 GLN 60 HE21 GLN 60 9.347 29.361 -19.147 490 HE22 GLN 60 HE22 GLN 60 7.915 28.420 -19.362 491 H ASP 61 H ASP 61 6.197 24.677 -14.494 492 HA ASP 61 HA ASP 61 8.111 23.940 -12.387 493 HB2 ASP 61 HB3 ASP 61 6.237 25.930 -12.510 494 HB3 ASP 61 HB2 ASP 61 5.324 24.641 -11.720 495 H ILE 62 H ILE 62 5.971 22.559 -14.396 496 HA ILE 62 HA ILE 62 4.380 20.917 -12.830 497 HB ILE 62 HB ILE 62 5.174 20.677 -15.710 498 HG12 ILE 62 HG13 ILE 62 3.831 22.578 -15.177 499 HG13 ILE 62 HG12 ILE 62 2.845 21.398 -16.042 500 HG21 ILE 62 HG21 ILE 62 4.637 18.415 -14.951 501 HG22 ILE 62 HG22 ILE 62 3.372 19.044 -16.008 502 HG23 ILE 62 HG23 ILE 62 3.119 18.998 -14.267 503 HD11 ILE 62 HD11 ILE 62 1.892 20.691 -13.871 504 HD12 ILE 62 HD12 ILE 62 1.574 22.363 -14.305 505 HD13 ILE 62 HD13 ILE 62 2.785 22.005 -13.088 506 HA PRO 63 HA PRO 63 7.387 17.183 -13.504 507 HB2 PRO 63 HB3 PRO 63 10.051 17.660 -13.396 508 HB3 PRO 63 HB2 PRO 63 9.119 17.664 -14.901 509 HG2 PRO 63 HG3 PRO 63 10.068 19.962 -13.262 510 HG3 PRO 63 HG2 PRO 63 10.072 19.766 -15.025 511 HD2 PRO 63 HD3 PRO 63 8.240 21.170 -13.609 512 HD3 PRO 63 HD2 PRO 63 7.869 20.448 -15.207 513 H LYS 64 H LYS 64 7.805 19.792 -11.545 514 HA LYS 64 HA LYS 64 9.141 18.553 -9.307 515 HB2 LYS 64 HB3 LYS 64 7.406 21.018 -9.208 516 HB3 LYS 64 HB2 LYS 64 8.727 20.587 -8.137 517 HG2 LYS 64 HG3 LYS 64 10.298 20.910 -10.121 518 HG3 LYS 64 HG2 LYS 64 8.898 21.453 -10.996 519 HD2 LYS 64 HD3 LYS 64 8.490 23.275 -9.489 520 HD3 LYS 64 HD2 LYS 64 9.808 22.747 -8.441 521 HE2 LYS 64 HE3 LYS 64 11.421 23.219 -10.179 522 HE3 LYS 64 HE2 LYS 64 10.119 23.602 -11.305 523 HZ1 LYS 64 HZ1 LYS 64 10.695 25.144 -8.818 524 HZ2 LYS 64 HZ2 LYS 64 9.530 25.496 -9.997 525 HZ3 LYS 64 HZ3 LYS 64 11.160 25.580 -10.383 526 H TYR 65 H TYR 65 5.835 19.156 -10.364 527 HA TYR 65 HA TYR 65 4.738 18.144 -7.872 528 HB2 TYR 65 HB3 TYR 65 3.368 19.418 -10.245 529 HB3 TYR 65 HB2 TYR 65 2.625 18.917 -8.733 530 HD1 TYR 65 HD1 TYR 65 4.315 21.583 -10.483 531 HD2 TYR 65 HD2 TYR 65 3.265 20.111 -6.644 532 HE1 TYR 65 HE1 TYR 65 4.636 23.809 -9.558 533 HE2 TYR 65 HE2 TYR 65 3.605 22.397 -5.696 534 HH TYR 65 HH TYR 65 3.995 25.138 -7.695 535 H PHE 66 H PHE 66 4.153 17.762 -11.400 536 HA PHE 66 HA PHE 66 3.195 15.053 -10.848 537 HB2 PHE 66 HB3 PHE 66 2.119 16.812 -13.069 538 HB3 PHE 66 HB2 PHE 66 1.450 15.318 -12.466 539 HD1 PHE 66 HD1 PHE 66 1.762 18.921 -11.960 540 HD2 PHE 66 HD2 PHE 66 -0.046 15.340 -10.560 541 HE1 PHE 66 HE1 PHE 66 0.133 20.255 -10.692 542 HE2 PHE 66 HE2 PHE 66 -1.672 16.664 -9.273 543 HZ PHE 66 HZ PHE 66 -1.587 19.126 -9.338 544 H PHE 67 H PHE 67 5.165 14.125 -11.803 545 HA PHE 67 HA PHE 67 5.794 15.159 -14.452 546 HB2 PHE 67 HB3 PHE 67 7.700 14.688 -12.904 547 HB3 PHE 67 HB2 PHE 67 7.319 12.975 -12.990 548 HD1 PHE 67 HD1 PHE 67 8.561 11.715 -14.482 549 HD2 PHE 67 HD2 PHE 67 7.943 15.841 -15.293 550 HE1 PHE 67 HE1 PHE 67 9.968 11.530 -16.488 551 HE2 PHE 67 HE2 PHE 67 9.351 15.665 -17.298 552 HZ PHE 67 HZ PHE 67 10.364 13.504 -17.900 553 H ASN 68 H ASN 68 5.857 11.641 -13.596 554 HA ASN 68 HA ASN 68 4.124 11.135 -15.864 555 HB2 ASN 68 HB3 ASN 68 5.615 9.422 -13.897 556 HB3 ASN 68 HB2 ASN 68 4.331 8.764 -14.898 557 HD21 ASN 68 HD21 ASN 68 8.009 9.486 -16.370 558 HD22 ASN 68 HD22 ASN 68 7.553 9.960 -14.767 559 H ALA 69 H ALA 69 3.997 9.716 -12.794 560 HA ALA 69 HA ALA 69 2.366 9.322 -11.275 561 HB1 ALA 69 HB1 ALA 69 1.184 11.931 -12.250 562 HB2 ALA 69 HB2 ALA 69 2.451 11.762 -11.033 563 HB3 ALA 69 HB3 ALA 69 0.833 11.131 -10.707 564 H LYS 70 H LYS 70 2.178 8.450 -13.979 565 HA LYS 70 HA LYS 70 -0.613 8.112 -14.480 566 HB2 LYS 70 HB3 LYS 70 1.853 7.027 -15.828 567 HB3 LYS 70 HB2 LYS 70 0.213 6.944 -16.446 568 HG2 LYS 70 HG3 LYS 70 0.155 9.384 -16.633 569 HG3 LYS 70 HG2 LYS 70 1.793 9.465 -15.986 570 HD2 LYS 70 HD3 LYS 70 2.562 8.099 -17.909 571 HD3 LYS 70 HD2 LYS 70 0.931 8.187 -18.577 572 HE2 LYS 70 HE3 LYS 70 2.757 10.525 -18.013 573 HE3 LYS 70 HE2 LYS 70 2.409 9.842 -19.596 574 HZ1 LYS 70 HZ1 LYS 70 0.448 11.189 -17.809 575 HZ2 LYS 70 HZ2 LYS 70 0.076 10.486 -19.283 576 HZ3 LYS 70 HZ3 LYS 70 1.095 11.800 -19.227 577 H VAL 71 H VAL 71 -1.270 6.825 -12.730 578 HA VAL 71 HA VAL 71 0.131 4.266 -12.392 579 HB VAL 71 HB VAL 71 0.480 5.923 -10.579 580 HG11 VAL 71 HG11 VAL 71 -2.435 5.635 -10.049 581 HG12 VAL 71 HG12 VAL 71 -1.570 7.078 -10.581 582 HG13 VAL 71 HG13 VAL 71 -1.278 6.417 -8.966 583 HG21 VAL 71 HG21 VAL 71 0.062 4.414 -8.665 584 HG22 VAL 71 HG22 VAL 71 0.772 3.580 -10.048 585 HG23 VAL 71 HG23 VAL 71 -0.952 3.413 -9.707 586 H HIS 72 H HIS 72 -2.084 4.716 -14.171 587 HA HIS 72 HA HIS 72 -3.910 2.769 -13.024 588 HB2 HIS 72 HB3 HIS 72 -4.916 5.089 -12.708 589 HB3 HIS 72 HB2 HIS 72 -4.961 5.207 -14.465 590 HD1 HIS 72 HD1 HIS 72 -7.036 4.300 -15.589 591 HD2 HIS 72 HD2 HIS 72 -6.550 2.892 -11.709 592 HE1 HIS 72 HE1 HIS 72 -9.126 3.058 -15.061 Start of MODEL 17 1 H GLY -1 H GLY -1 8.484 18.847 1.457 2 HA2 GLY -1 HA2 GLY -1 10.502 19.015 0.149 3 HA3 GLY -1 HA3 GLY -1 9.354 17.887 -0.575 4 H SER 0 H SER 0 10.785 20.182 -1.785 5 HA SER 0 HA SER 0 8.417 21.580 -2.736 6 HB2 SER 0 HB3 SER 0 10.985 22.947 -1.919 7 HB3 SER 0 HB2 SER 0 9.538 23.722 -2.571 8 HG SER 0 HG SER 0 8.414 22.839 -0.737 9 H MET 1 H MET 1 8.332 21.310 -4.789 10 HA MET 1 HA MET 1 8.745 21.057 -6.960 11 HB2 MET 1 HB3 MET 1 11.274 22.578 -6.313 12 HB3 MET 1 HB2 MET 1 10.734 22.228 -7.951 13 HG2 MET 1 HG3 MET 1 8.668 23.487 -7.523 14 HG3 MET 1 HG2 MET 1 9.247 23.854 -5.900 15 HE1 MET 1 HE1 MET 1 8.236 26.060 -7.924 16 HE2 MET 1 HE2 MET 1 9.472 27.304 -7.728 17 HE3 MET 1 HE3 MET 1 8.856 26.448 -6.318 18 H SER 2 H SER 2 9.910 19.120 -4.938 19 HA SER 2 HA SER 2 11.826 17.799 -6.667 20 HB2 SER 2 HB3 SER 2 12.070 16.347 -4.576 21 HB3 SER 2 HB2 SER 2 12.642 18.011 -4.459 22 HG SER 2 HG SER 2 11.456 17.795 -2.717 23 H TYR 3 H TYR 3 11.509 15.395 -6.832 24 HA TYR 3 HA TYR 3 8.831 14.784 -7.552 25 HB2 TYR 3 HB3 TYR 3 11.290 13.062 -7.395 26 HB3 TYR 3 HB2 TYR 3 9.707 12.420 -7.762 27 HD1 TYR 3 HD1 TYR 3 8.630 12.920 -9.829 28 HD2 TYR 3 HD2 TYR 3 12.531 14.358 -9.085 29 HE1 TYR 3 HE1 TYR 3 8.892 13.266 -12.203 30 HE2 TYR 3 HE2 TYR 3 12.844 14.760 -11.493 31 HH TYR 3 HH TYR 3 11.826 13.701 -13.622 32 H ASP 4 H ASP 4 7.874 15.265 -5.629 33 HA ASP 4 HA ASP 4 7.136 12.924 -4.143 34 HB2 ASP 4 HB3 ASP 4 9.088 13.901 -2.800 35 HB3 ASP 4 HB2 ASP 4 8.134 15.366 -2.618 36 H TYR 5 H TYR 5 4.978 13.311 -3.350 37 HA TYR 5 HA TYR 5 3.773 15.456 -4.756 38 HB2 TYR 5 HB3 TYR 5 2.504 13.379 -2.962 39 HB3 TYR 5 HB2 TYR 5 1.620 14.733 -3.679 40 HD1 TYR 5 HD1 TYR 5 1.597 14.964 -6.197 41 HD2 TYR 5 HD2 TYR 5 2.858 11.397 -4.249 42 HE1 TYR 5 HE1 TYR 5 1.241 13.715 -8.276 43 HE2 TYR 5 HE2 TYR 5 2.502 10.130 -6.334 44 HH TYR 5 HH TYR 5 1.915 11.713 -9.361 45 H SER 6 H SER 6 5.290 15.438 -1.825 46 HA SER 6 HA SER 6 3.829 17.268 -0.317 47 HB2 SER 6 HB3 SER 6 5.858 16.046 0.474 48 HB3 SER 6 HB2 SER 6 6.842 17.024 -0.604 49 HG SER 6 HG SER 6 5.302 17.889 1.592 50 H SER 7 H SER 7 5.887 17.678 -3.139 51 HA SER 7 HA SER 7 6.133 20.473 -3.112 52 HB2 SER 7 HB3 SER 7 6.057 18.578 -5.470 53 HB3 SER 7 HB2 SER 7 6.841 20.155 -5.414 54 HG SER 7 HG SER 7 8.003 17.947 -4.956 55 H LEU 8 H LEU 8 3.806 18.222 -4.460 56 HA LEU 8 HA LEU 8 2.299 20.172 -5.925 57 HB2 LEU 8 HB3 LEU 8 2.616 17.560 -6.340 58 HB3 LEU 8 HB2 LEU 8 1.379 17.425 -5.150 59 HG LEU 8 HG LEU 8 0.895 18.919 -7.736 60 HD11 LEU 8 HD11 LEU 8 0.197 16.062 -7.072 61 HD12 LEU 8 HD12 LEU 8 1.514 16.543 -8.140 62 HD13 LEU 8 HD13 LEU 8 -0.154 16.919 -8.570 63 HD21 LEU 8 HD21 LEU 8 -0.636 19.383 -5.880 64 HD22 LEU 8 HD22 LEU 8 -0.943 17.638 -5.750 65 HD23 LEU 8 HD23 LEU 8 -1.423 18.519 -7.212 66 H LEU 9 H LEU 9 1.906 18.393 -2.838 67 HA LEU 9 HA LEU 9 -0.563 19.388 -2.170 68 HB2 LEU 9 HB3 LEU 9 0.375 17.351 -1.479 69 HB3 LEU 9 HB2 LEU 9 1.707 18.178 -0.712 70 HG LEU 9 HG LEU 9 0.452 18.940 0.977 71 HD11 LEU 9 HD11 LEU 9 -1.605 19.686 -0.283 72 HD12 LEU 9 HD12 LEU 9 -2.091 18.663 1.068 73 HD13 LEU 9 HD13 LEU 9 -2.036 18.000 -0.566 74 HD21 LEU 9 HD21 LEU 9 0.956 16.647 1.096 75 HD22 LEU 9 HD22 LEU 9 -0.485 16.344 0.106 76 HD23 LEU 9 HD23 LEU 9 -0.686 16.882 1.792 77 H GLY 10 H GLY 10 2.733 20.552 -1.849 78 HA2 GLY 10 HA3 GLY 10 2.390 22.470 0.151 79 HA3 GLY 10 HA2 GLY 10 3.584 22.540 -1.146 80 H LYS 11 H LYS 11 1.980 22.706 -3.410 81 HA LYS 11 HA LYS 11 1.219 25.395 -3.336 82 HB2 LYS 11 HB3 LYS 11 0.915 23.225 -5.388 83 HB3 LYS 11 HB2 LYS 11 0.545 24.923 -5.645 84 HG2 LYS 11 HG3 LYS 11 3.213 23.747 -4.969 85 HG3 LYS 11 HG2 LYS 11 2.739 24.431 -6.535 86 HD2 LYS 11 HD3 LYS 11 2.420 26.624 -5.451 87 HD3 LYS 11 HD2 LYS 11 2.900 25.927 -3.911 88 HE2 LYS 11 HE3 LYS 11 5.088 25.363 -4.931 89 HE3 LYS 11 HE2 LYS 11 4.591 26.298 -6.341 90 HZ1 LYS 11 HZ1 LYS 11 4.614 27.367 -3.592 91 HZ2 LYS 11 HZ2 LYS 11 4.348 28.244 -5.001 92 HZ3 LYS 11 HZ3 LYS 11 5.880 27.594 -4.680 93 H ILE 12 H ILE 12 -0.467 22.380 -3.270 94 HA ILE 12 HA ILE 12 -3.083 23.355 -3.441 95 HB ILE 12 HB ILE 12 -2.020 21.026 -1.820 96 HG12 ILE 12 HG13 ILE 12 -3.362 21.121 -4.530 97 HG13 ILE 12 HG12 ILE 12 -1.662 20.794 -4.223 98 HG21 ILE 12 HG21 ILE 12 -4.338 20.190 -1.780 99 HG22 ILE 12 HG22 ILE 12 -4.861 21.721 -2.497 100 HG23 ILE 12 HG23 ILE 12 -4.134 21.701 -0.890 101 HD11 ILE 12 HD11 ILE 12 -2.270 18.729 -3.065 102 HD12 ILE 12 HD12 ILE 12 -2.888 18.753 -4.715 103 HD13 ILE 12 HD13 ILE 12 -3.975 19.066 -3.361 104 H THR 13 H THR 13 -0.959 22.989 -0.656 105 HA THR 13 HA THR 13 -2.703 23.938 1.320 106 HB THR 13 HB THR 13 0.284 24.258 1.255 107 HG1 THR 13 HG1 THR 13 -0.106 22.066 0.936 108 HG21 THR 13 HG21 THR 13 -0.790 25.446 3.072 109 HG22 THR 13 HG22 THR 13 0.024 24.027 3.749 110 HG23 THR 13 HG23 THR 13 -1.728 24.023 3.495 111 H GLU 14 H GLU 14 -0.260 25.560 -0.653 112 HA GLU 14 HA GLU 14 -0.474 28.034 0.541 113 HB2 GLU 14 HB3 GLU 14 0.480 27.045 -1.977 114 HB3 GLU 14 HB2 GLU 14 0.540 28.809 -1.745 115 HG2 GLU 14 HG3 GLU 14 1.911 28.108 0.370 116 HG3 GLU 14 HG2 GLU 14 2.058 26.554 -0.448 117 H LYS 15 H LYS 15 -2.421 26.645 -2.098 118 HA LYS 15 HA LYS 15 -3.432 29.253 -2.729 119 HB2 LYS 15 HB3 LYS 15 -2.935 26.784 -4.018 120 HB3 LYS 15 HB2 LYS 15 -4.605 27.268 -4.229 121 HG2 LYS 15 HG3 LYS 15 -3.378 28.183 -6.077 122 HG3 LYS 15 HG2 LYS 15 -3.648 29.526 -4.978 123 HD2 LYS 15 HD3 LYS 15 -1.366 29.080 -4.002 124 HD3 LYS 15 HD2 LYS 15 -1.114 27.932 -5.309 125 HE2 LYS 15 HE3 LYS 15 -1.560 29.709 -6.959 126 HE3 LYS 15 HE2 LYS 15 -1.734 30.847 -5.623 127 HZ1 LYS 15 HZ1 LYS 15 0.402 30.998 -6.642 128 HZ2 LYS 15 HZ2 LYS 15 0.779 29.381 -6.315 129 HZ3 LYS 15 HZ3 LYS 15 0.575 30.503 -5.050 130 H CYS 16 H CYS 16 -4.482 26.016 -1.611 131 HA CYS 16 HA CYS 16 -7.168 27.025 -1.540 132 HB2 CYS 16 HB3 CYS 16 -5.989 24.286 -1.782 133 HB3 CYS 16 HB2 CYS 16 -7.695 24.690 -1.756 134 HG CYS 16 HG CYS 16 -6.976 26.515 -4.089 135 H GLY 17 H GLY 17 -4.572 25.315 0.156 136 HA2 GLY 17 HA3 GLY 17 -4.587 25.705 2.615 137 HA3 GLY 17 HA2 GLY 17 -6.291 25.394 2.444 138 H THR 18 H THR 18 -6.854 23.384 1.398 139 HA THR 18 HA THR 18 -5.105 21.177 2.220 140 HB THR 18 HB THR 18 -7.011 20.028 3.279 141 HG1 THR 18 HG1 THR 18 -8.950 21.417 3.594 142 HG21 THR 18 HG21 THR 18 -7.388 21.611 5.194 143 HG22 THR 18 HG22 THR 18 -6.637 22.866 4.170 144 HG23 THR 18 HG23 THR 18 -5.691 21.493 4.689 145 H GLN 19 H GLN 19 -6.159 19.030 1.331 146 HA GLN 19 HA GLN 19 -6.401 19.354 -1.505 147 HB2 GLN 19 HB3 GLN 19 -6.953 16.878 0.146 148 HB3 GLN 19 HB2 GLN 19 -6.653 16.934 -1.579 149 HG2 GLN 19 HG3 GLN 19 -4.373 17.703 -1.159 150 HG3 GLN 19 HG2 GLN 19 -4.673 17.639 0.576 151 HE21 GLN 19 HE21 GLN 19 -3.006 14.522 -0.699 152 HE22 GLN 19 HE22 GLN 19 -2.697 16.201 -0.935 153 H TYR 20 H TYR 20 -8.488 19.047 1.148 154 HA TYR 20 HA TYR 20 -10.927 18.357 -0.060 155 HB2 TYR 20 HB3 TYR 20 -10.436 18.493 2.406 156 HB3 TYR 20 HB2 TYR 20 -10.427 20.211 2.236 157 HD1 TYR 20 HD1 TYR 20 -12.729 17.390 1.482 158 HD2 TYR 20 HD2 TYR 20 -12.289 21.445 2.607 159 HE1 TYR 20 HE1 TYR 20 -15.176 17.557 1.788 160 HE2 TYR 20 HE2 TYR 20 -14.716 21.644 2.916 161 HH TYR 20 HH TYR 20 -16.703 20.605 2.196 162 H ASN 21 H ASN 21 -9.653 21.447 0.952 163 HA ASN 21 HA ASN 21 -11.561 23.121 -0.196 164 HB2 ASN 21 HB3 ASN 21 -8.635 23.697 0.191 165 HB3 ASN 21 HB2 ASN 21 -9.856 24.898 -0.121 166 HD21 ASN 21 HD21 ASN 21 -8.939 24.796 3.475 167 HD22 ASN 21 HD22 ASN 21 -8.167 25.052 1.972 168 H PHE 22 H PHE 22 -8.548 21.947 -1.453 169 HA PHE 22 HA PHE 22 -8.269 23.115 -3.948 170 HB2 PHE 22 HB3 PHE 22 -6.767 21.437 -2.819 171 HB3 PHE 22 HB2 PHE 22 -7.896 20.217 -3.288 172 HD1 PHE 22 HD1 PHE 22 -7.926 19.237 -5.408 173 HD2 PHE 22 HD2 PHE 22 -5.498 22.652 -4.704 174 HE1 PHE 22 HE1 PHE 22 -6.803 18.872 -7.565 175 HE2 PHE 22 HE2 PHE 22 -4.370 22.292 -6.864 176 HZ PHE 22 HZ PHE 22 -5.024 20.404 -8.295 177 H ALA 23 H ALA 23 -9.847 20.095 -3.179 178 HA ALA 23 HA ALA 23 -10.966 19.410 -5.605 179 HB1 ALA 23 HB1 ALA 23 -10.948 17.969 -3.620 180 HB2 ALA 23 HB2 ALA 23 -12.550 18.061 -4.352 181 HB3 ALA 23 HB3 ALA 23 -12.196 18.974 -2.887 182 H ILE 24 H ILE 24 -12.439 21.369 -2.976 183 HA ILE 24 HA ILE 24 -14.959 21.793 -3.984 184 HB ILE 24 HB ILE 24 -13.330 23.818 -2.476 185 HG12 ILE 24 HG13 ILE 24 -13.210 21.661 -1.283 186 HG13 ILE 24 HG12 ILE 24 -14.187 22.823 -0.464 187 HG21 ILE 24 HG21 ILE 24 -15.421 24.703 -3.332 188 HG22 ILE 24 HG22 ILE 24 -15.520 24.524 -1.579 189 HG23 ILE 24 HG23 ILE 24 -16.307 23.348 -2.630 190 HD11 ILE 24 HD11 ILE 24 -15.211 20.548 -2.117 191 HD12 ILE 24 HD12 ILE 24 -16.206 21.711 -1.224 192 HD13 ILE 24 HD13 ILE 24 -15.121 20.614 -0.355 193 H ALA 25 H ALA 25 -12.060 23.791 -4.354 194 HA ALA 25 HA ALA 25 -13.297 25.827 -5.909 195 HB1 ALA 25 HB1 ALA 25 -11.334 26.255 -4.511 196 HB2 ALA 25 HB2 ALA 25 -11.049 26.721 -6.185 197 HB3 ALA 25 HB3 ALA 25 -10.364 25.219 -5.556 198 H MET 26 H MET 26 -11.432 22.926 -6.735 199 HA MET 26 HA MET 26 -11.175 23.543 -9.465 200 HB2 MET 26 HB3 MET 26 -9.810 22.014 -7.912 201 HB3 MET 26 HB2 MET 26 -11.107 20.873 -8.217 202 HG2 MET 26 HG3 MET 26 -10.795 20.943 -10.502 203 HG3 MET 26 HG2 MET 26 -9.636 22.269 -10.335 204 HE1 MET 26 HE1 MET 26 -9.150 19.600 -12.006 205 HE2 MET 26 HE2 MET 26 -7.418 19.386 -11.659 206 HE3 MET 26 HE3 MET 26 -8.104 21.007 -11.893 207 H GLY 27 H GLY 27 -13.717 22.318 -7.525 208 HA2 GLY 27 HA3 GLY 27 -15.929 21.950 -8.248 209 HA3 GLY 27 HA2 GLY 27 -15.344 21.870 -9.910 210 H LEU 28 H LEU 28 -13.752 20.150 -7.428 211 HA LEU 28 HA LEU 28 -14.688 17.613 -8.579 212 HB2 LEU 28 HB3 LEU 28 -12.148 18.288 -7.128 213 HB3 LEU 28 HB2 LEU 28 -12.625 16.685 -7.624 214 HG LEU 28 HG LEU 28 -11.945 18.981 -9.459 215 HD11 LEU 28 HD11 LEU 28 -10.041 17.995 -8.298 216 HD12 LEU 28 HD12 LEU 28 -10.035 17.551 -10.013 217 HD13 LEU 28 HD13 LEU 28 -10.585 16.393 -8.792 218 HD21 LEU 28 HD21 LEU 28 -13.652 17.567 -10.397 219 HD22 LEU 28 HD22 LEU 28 -12.686 16.149 -9.957 220 HD23 LEU 28 HD23 LEU 28 -12.091 17.271 -11.197 221 H SER 29 H SER 29 -14.744 15.878 -7.101 222 HA SER 29 HA SER 29 -15.505 16.645 -4.388 223 HB2 SER 29 HB3 SER 29 -16.981 15.055 -5.875 224 HB3 SER 29 HB2 SER 29 -15.611 13.947 -5.660 225 HG SER 29 HG SER 29 -16.007 14.326 -3.281 226 H GLU 30 H GLU 30 -14.215 15.971 -2.819 227 HA GLU 30 HA GLU 30 -11.490 15.750 -3.096 228 HB2 GLU 30 HB3 GLU 30 -11.668 14.546 -0.761 229 HB3 GLU 30 HB2 GLU 30 -11.912 16.266 -0.982 230 HG2 GLU 30 HG3 GLU 30 -13.420 15.122 0.482 231 HG3 GLU 30 HG2 GLU 30 -14.274 16.049 -0.757 232 H ARG 31 H ARG 31 -13.738 13.140 -2.918 233 HA ARG 31 HA ARG 31 -12.035 11.015 -2.579 234 HB2 ARG 31 HB3 ARG 31 -14.537 11.120 -2.491 235 HB3 ARG 31 HB2 ARG 31 -14.521 11.039 -4.223 236 HG2 ARG 31 HG3 ARG 31 -14.947 8.838 -3.292 237 HG3 ARG 31 HG2 ARG 31 -13.443 8.871 -4.215 238 HD2 ARG 31 HD3 ARG 31 -12.161 9.018 -2.164 239 HD3 ARG 31 HD2 ARG 31 -13.643 9.084 -1.209 240 HE ARG 31 HE ARG 31 -13.500 6.796 -2.884 241 HH11 ARG 31 HH11 ARG 31 -12.297 8.077 0.179 242 HH12 ARG 31 HH12 ARG 31 -12.183 6.581 0.971 243 HH21 ARG 31 HH21 ARG 31 -13.296 4.688 -1.850 244 HH22 ARG 31 HH22 ARG 31 -12.777 4.575 -0.239 245 H THR 32 H THR 32 -13.187 12.631 -5.447 246 HA THR 32 HA THR 32 -12.205 10.740 -7.342 247 HB THR 32 HB THR 32 -13.021 13.619 -7.835 248 HG1 THR 32 HG1 THR 32 -15.090 12.840 -8.013 249 HG21 THR 32 HG21 THR 32 -13.078 11.162 -9.620 250 HG22 THR 32 HG22 THR 32 -11.916 12.481 -9.740 251 HG23 THR 32 HG23 THR 32 -13.621 12.779 -10.072 252 H VAL 33 H VAL 33 -11.068 13.869 -6.113 253 HA VAL 33 HA VAL 33 -8.838 14.210 -7.790 254 HB VAL 33 HB VAL 33 -8.546 15.040 -4.984 255 HG11 VAL 33 HG11 VAL 33 -7.100 15.960 -6.595 256 HG12 VAL 33 HG12 VAL 33 -8.261 17.236 -6.058 257 HG13 VAL 33 HG13 VAL 33 -8.507 16.388 -7.585 258 HG21 VAL 33 HG21 VAL 33 -10.193 16.817 -5.161 259 HG22 VAL 33 HG22 VAL 33 -10.761 15.155 -4.973 260 HG23 VAL 33 HG23 VAL 33 -10.887 15.949 -6.569 261 H SER 34 H SER 34 -9.431 12.673 -4.720 262 HA SER 34 HA SER 34 -6.965 12.122 -3.878 263 HB2 SER 34 HB3 SER 34 -9.146 11.789 -2.679 264 HB3 SER 34 HB2 SER 34 -9.352 10.321 -3.584 265 HG SER 34 HG SER 34 -7.181 10.846 -1.868 266 H LEU 35 H LEU 35 -9.182 10.231 -5.801 267 HA LEU 35 HA LEU 35 -7.810 7.865 -6.131 268 HB2 LEU 35 HB3 LEU 35 -9.596 9.134 -8.184 269 HB3 LEU 35 HB2 LEU 35 -9.164 7.439 -8.114 270 HG LEU 35 HG LEU 35 -10.831 8.986 -6.162 271 HD11 LEU 35 HD11 LEU 35 -12.624 7.452 -6.824 272 HD12 LEU 35 HD12 LEU 35 -11.537 6.722 -8.007 273 HD13 LEU 35 HD13 LEU 35 -12.018 8.410 -8.177 274 HD21 LEU 35 HD21 LEU 35 -9.503 7.390 -4.897 275 HD22 LEU 35 HD22 LEU 35 -10.002 6.077 -5.960 276 HD23 LEU 35 HD23 LEU 35 -11.187 6.883 -4.939 277 H LYS 36 H LYS 36 -7.587 10.746 -8.334 278 HA LYS 36 HA LYS 36 -5.783 9.528 -10.090 279 HB2 LYS 36 HB3 LYS 36 -6.520 12.383 -9.555 280 HB3 LYS 36 HB2 LYS 36 -5.292 11.936 -10.715 281 HG2 LYS 36 HG3 LYS 36 -7.082 12.083 -12.126 282 HG3 LYS 36 HG2 LYS 36 -7.252 10.406 -11.586 283 HD2 LYS 36 HD3 LYS 36 -8.880 11.056 -9.936 284 HD3 LYS 36 HD2 LYS 36 -8.690 12.753 -10.388 285 HE2 LYS 36 HE3 LYS 36 -9.739 10.526 -12.129 286 HE3 LYS 36 HE2 LYS 36 -10.667 11.852 -11.440 287 HZ1 LYS 36 HZ1 LYS 36 -9.366 13.419 -12.792 288 HZ2 LYS 36 HZ2 LYS 36 -10.130 12.303 -13.755 289 HZ3 LYS 36 HZ3 LYS 36 -8.489 12.165 -13.458 290 H LEU 37 H LEU 37 -5.461 11.601 -7.260 291 HA LEU 37 HA LEU 37 -2.694 12.152 -7.529 292 HB2 LEU 37 HB3 LEU 37 -4.269 13.541 -6.306 293 HB3 LEU 37 HB2 LEU 37 -4.525 12.355 -5.101 294 HG LEU 37 HG LEU 37 -1.955 12.542 -4.864 295 HD11 LEU 37 HD11 LEU 37 -1.351 14.949 -5.010 296 HD12 LEU 37 HD12 LEU 37 -2.849 15.100 -5.971 297 HD13 LEU 37 HD13 LEU 37 -1.532 14.053 -6.530 298 HD21 LEU 37 HD21 LEU 37 -2.349 14.130 -3.018 299 HD22 LEU 37 HD22 LEU 37 -3.538 12.828 -3.068 300 HD23 LEU 37 HD23 LEU 37 -3.962 14.433 -3.664 301 H ASN 38 H ASN 38 -4.552 9.651 -6.090 302 HA ASN 38 HA ASN 38 -2.409 8.738 -4.545 303 HB2 ASN 38 HB3 ASN 38 -4.742 8.357 -3.840 304 HB3 ASN 38 HB2 ASN 38 -4.966 7.256 -5.193 305 HD21 ASN 38 HD21 ASN 38 -3.459 4.545 -3.582 306 HD22 ASN 38 HD22 ASN 38 -4.134 5.131 -5.044 307 H ASP 39 H ASP 39 -4.158 7.284 -7.368 308 HA ASP 39 HA ASP 39 -1.853 6.463 -8.727 309 HB2 ASP 39 HB3 ASP 39 -1.365 4.983 -6.876 310 HB3 ASP 39 HB2 ASP 39 -2.951 4.237 -7.004 311 H LYS 40 H LYS 40 -5.357 5.957 -8.256 312 HA LYS 40 HA LYS 40 -5.830 3.900 -9.928 313 HB2 LYS 40 HB3 LYS 40 -7.480 6.240 -9.146 314 HB3 LYS 40 HB2 LYS 40 -8.082 4.994 -10.220 315 HG2 LYS 40 HG3 LYS 40 -7.447 3.340 -8.375 316 HG3 LYS 40 HG2 LYS 40 -7.262 4.767 -7.356 317 HD2 LYS 40 HD3 LYS 40 -9.547 5.413 -7.731 318 HD3 LYS 40 HD2 LYS 40 -9.751 4.116 -8.897 319 HE2 LYS 40 HE3 LYS 40 -9.121 3.684 -5.981 320 HE3 LYS 40 HE2 LYS 40 -10.736 3.597 -6.672 321 HZ1 LYS 40 HZ1 LYS 40 -8.440 1.819 -7.374 322 HZ2 LYS 40 HZ2 LYS 40 -9.938 1.768 -8.105 323 HZ3 LYS 40 HZ3 LYS 40 -9.792 1.411 -6.467 324 H VAL 41 H VAL 41 -5.548 7.283 -10.909 325 HA VAL 41 HA VAL 41 -5.066 6.402 -13.579 326 HB VAL 41 HB VAL 41 -7.611 6.565 -13.298 327 HG11 VAL 41 HG11 VAL 41 -7.171 9.424 -13.149 328 HG12 VAL 41 HG12 VAL 41 -7.713 8.358 -11.837 329 HG13 VAL 41 HG13 VAL 41 -8.734 8.606 -13.270 330 HG21 VAL 41 HG21 VAL 41 -6.402 8.373 -15.374 331 HG22 VAL 41 HG22 VAL 41 -8.030 7.699 -15.428 332 HG23 VAL 41 HG23 VAL 41 -6.629 6.630 -15.532 333 H THR 42 H THR 42 -4.344 8.409 -14.844 334 HA THR 42 HA THR 42 -3.062 10.180 -12.953 335 HB THR 42 HB THR 42 -2.694 10.131 -15.958 336 HG1 THR 42 HG1 THR 42 -2.123 8.228 -14.098 337 HG21 THR 42 HG21 THR 42 -1.648 11.972 -14.711 338 HG22 THR 42 HG22 THR 42 -0.423 10.886 -15.374 339 HG23 THR 42 HG23 THR 42 -0.848 10.801 -13.661 340 H TRP 43 H TRP 43 -3.092 12.527 -13.665 341 HA TRP 43 HA TRP 43 -5.775 13.435 -13.901 342 HB2 TRP 43 HB3 TRP 43 -3.163 14.938 -14.077 343 HB3 TRP 43 HB2 TRP 43 -4.744 15.689 -13.960 344 HD1 TRP 43 HD1 TRP 43 -5.878 15.766 -11.579 345 HE1 TRP 43 HE1 TRP 43 -4.994 15.303 -9.219 346 HE3 TRP 43 HE3 TRP 43 -1.530 13.359 -12.790 347 HZ2 TRP 43 HZ2 TRP 43 -2.762 14.080 -8.024 348 HZ3 TRP 43 HZ3 TRP 43 -0.081 12.572 -10.971 349 HH2 TRP 43 HH2 TRP 43 -0.687 12.925 -8.640 350 H LYS 44 H LYS 44 -6.816 14.152 -15.652 351 HA LYS 44 HA LYS 44 -5.767 13.672 -18.232 352 HB2 LYS 44 HB3 LYS 44 -8.170 15.191 -17.317 353 HB3 LYS 44 HB2 LYS 44 -7.799 14.807 -18.992 354 HG2 LYS 44 HG3 LYS 44 -7.920 12.450 -18.509 355 HG3 LYS 44 HG2 LYS 44 -8.244 12.797 -16.804 356 HD2 LYS 44 HD3 LYS 44 -10.086 14.140 -17.521 357 HD3 LYS 44 HD2 LYS 44 -9.923 13.546 -19.171 358 HE2 LYS 44 HE3 LYS 44 -10.426 11.828 -16.733 359 HE3 LYS 44 HE2 LYS 44 -11.649 12.241 -17.937 360 HZ1 LYS 44 HZ1 LYS 44 -10.281 11.028 -19.578 361 HZ2 LYS 44 HZ2 LYS 44 -10.808 10.059 -18.316 362 HZ3 LYS 44 HZ3 LYS 44 -9.217 10.572 -18.346 363 H ASP 45 H ASP 45 -5.430 15.385 -19.825 364 HA ASP 45 HA ASP 45 -3.796 17.440 -18.903 365 HB2 ASP 45 HB3 ASP 45 -3.556 16.621 -21.149 366 HB3 ASP 45 HB2 ASP 45 -5.193 17.110 -21.560 367 H ASP 46 H ASP 46 -7.205 17.439 -19.581 368 HA ASP 46 HA ASP 46 -7.726 20.195 -19.308 369 HB2 ASP 46 HB3 ASP 46 -9.459 17.803 -18.696 370 HB3 ASP 46 HB2 ASP 46 -10.009 19.432 -18.353 371 H GLU 47 H GLU 47 -7.257 17.713 -16.897 372 HA GLU 47 HA GLU 47 -8.153 19.344 -14.714 373 HB2 GLU 47 HB3 GLU 47 -6.527 16.785 -14.719 374 HB3 GLU 47 HB2 GLU 47 -7.241 17.525 -13.292 375 HG2 GLU 47 HG3 GLU 47 -9.468 17.162 -14.198 376 HG3 GLU 47 HG2 GLU 47 -8.779 16.469 -15.661 377 H ILE 48 H ILE 48 -5.128 18.361 -16.124 378 HA ILE 48 HA ILE 48 -3.383 19.617 -14.336 379 HB ILE 48 HB ILE 48 -2.968 19.055 -17.293 380 HG12 ILE 48 HG13 ILE 48 -2.225 17.416 -14.854 381 HG13 ILE 48 HG12 ILE 48 -3.542 17.057 -15.958 382 HG21 ILE 48 HG21 ILE 48 -0.939 19.594 -15.114 383 HG22 ILE 48 HG22 ILE 48 -1.344 20.677 -16.444 384 HG23 ILE 48 HG23 ILE 48 -0.562 19.130 -16.774 385 HD11 ILE 48 HD11 ILE 48 -1.928 16.708 -17.757 386 HD12 ILE 48 HD12 ILE 48 -1.620 15.653 -16.377 387 HD13 ILE 48 HD13 ILE 48 -0.610 17.077 -16.641 388 H LEU 49 H LEU 49 -4.701 20.802 -17.462 389 HA LEU 49 HA LEU 49 -3.413 23.275 -17.321 390 HB2 LEU 49 HB3 LEU 49 -4.778 24.009 -19.169 391 HB3 LEU 49 HB2 LEU 49 -4.226 22.370 -19.420 392 HG LEU 49 HG LEU 49 -6.446 21.683 -18.530 393 HD11 LEU 49 HD11 LEU 49 -7.052 23.865 -17.731 394 HD12 LEU 49 HD12 LEU 49 -8.295 23.269 -18.855 395 HD13 LEU 49 HD13 LEU 49 -7.118 24.507 -19.370 396 HD21 LEU 49 HD21 LEU 49 -6.158 23.006 -21.209 397 HD22 LEU 49 HD22 LEU 49 -7.442 21.861 -20.799 398 HD23 LEU 49 HD23 LEU 49 -5.751 21.341 -20.794 399 H LYS 50 H LYS 50 -6.321 22.275 -15.779 400 HA LYS 50 HA LYS 50 -7.174 24.858 -15.133 401 HB2 LYS 50 HB3 LYS 50 -7.737 22.161 -14.094 402 HB3 LYS 50 HB2 LYS 50 -8.468 23.568 -13.327 403 HG2 LYS 50 HG3 LYS 50 -8.752 22.829 -16.241 404 HG3 LYS 50 HG2 LYS 50 -9.936 22.428 -14.996 405 HD2 LYS 50 HD3 LYS 50 -10.484 24.686 -14.639 406 HD3 LYS 50 HD2 LYS 50 -9.072 25.279 -15.502 407 HE2 LYS 50 HE3 LYS 50 -11.049 25.556 -16.854 408 HE3 LYS 50 HE2 LYS 50 -9.940 24.367 -17.548 409 HZ1 LYS 50 HZ1 LYS 50 -12.451 23.790 -16.053 410 HZ2 LYS 50 HZ2 LYS 50 -11.385 22.618 -16.591 411 HZ3 LYS 50 HZ3 LYS 50 -12.200 23.577 -17.705 412 H ALA 51 H ALA 51 -5.520 22.290 -13.342 413 HA ALA 51 HA ALA 51 -5.171 23.645 -10.934 414 HB1 ALA 51 HB1 ALA 51 -3.442 21.452 -12.075 415 HB2 ALA 51 HB2 ALA 51 -4.940 21.210 -11.180 416 HB3 ALA 51 HB3 ALA 51 -3.538 21.924 -10.379 417 H VAL 52 H VAL 52 -2.950 23.321 -13.669 418 HA VAL 52 HA VAL 52 -0.683 24.593 -12.648 419 HB VAL 52 HB VAL 52 -1.723 24.556 -15.500 420 HG11 VAL 52 HG11 VAL 52 0.552 25.071 -16.213 421 HG12 VAL 52 HG12 VAL 52 1.067 25.223 -14.537 422 HG13 VAL 52 HG13 VAL 52 -0.084 26.377 -15.212 423 HG21 VAL 52 HG21 VAL 52 0.317 22.878 -14.078 424 HG22 VAL 52 HG22 VAL 52 -0.105 22.768 -15.790 425 HG23 VAL 52 HG23 VAL 52 -1.302 22.375 -14.556 426 H HIS 53 H HIS 53 -3.570 26.078 -14.005 427 HA HIS 53 HA HIS 53 -2.272 28.661 -14.144 428 HB2 HIS 53 HB3 HIS 53 -4.205 27.632 -15.604 429 HB3 HIS 53 HB2 HIS 53 -5.208 28.354 -14.369 430 HD1 HIS 53 HD1 HIS 53 -5.417 30.920 -14.283 431 HD2 HIS 53 HD2 HIS 53 -2.744 29.548 -17.142 432 HE1 HIS 53 HE1 HIS 53 -4.786 32.925 -15.622 433 H VAL 54 H VAL 54 -4.115 26.897 -11.896 434 HA VAL 54 HA VAL 54 -5.086 29.281 -10.516 435 HB VAL 54 HB VAL 54 -5.483 26.333 -9.924 436 HG11 VAL 54 HG11 VAL 54 -6.725 28.725 -8.545 437 HG12 VAL 54 HG12 VAL 54 -5.563 27.564 -7.868 438 HG13 VAL 54 HG13 VAL 54 -7.180 27.029 -8.301 439 HG21 VAL 54 HG21 VAL 54 -6.636 27.031 -11.918 440 HG22 VAL 54 HG22 VAL 54 -7.355 28.398 -11.065 441 HG23 VAL 54 HG23 VAL 54 -7.806 26.745 -10.631 442 H LEU 55 H LEU 55 -3.194 26.346 -9.807 443 HA LEU 55 HA LEU 55 -2.293 27.121 -7.337 444 HB2 LEU 55 HB3 LEU 55 -1.789 25.085 -9.415 445 HB3 LEU 55 HB2 LEU 55 -0.811 25.147 -8.003 446 HG LEU 55 HG LEU 55 -2.599 23.503 -8.044 447 HD11 LEU 55 HD11 LEU 55 -3.439 23.914 -5.701 448 HD12 LEU 55 HD12 LEU 55 -2.826 25.562 -5.833 449 HD13 LEU 55 HD13 LEU 55 -1.710 24.198 -5.875 450 HD21 LEU 55 HD21 LEU 55 -4.410 24.601 -9.098 451 HD22 LEU 55 HD22 LEU 55 -4.490 25.812 -7.822 452 HD23 LEU 55 HD23 LEU 55 -4.957 24.148 -7.480 453 H GLU 56 H GLU 56 -1.383 28.017 -10.468 454 HA GLU 56 HA GLU 56 0.297 29.051 -11.440 455 HB2 GLU 56 HB3 GLU 56 1.119 29.773 -8.627 456 HB3 GLU 56 HB2 GLU 56 1.900 30.403 -10.066 457 HG2 GLU 56 HG3 GLU 56 -0.189 31.466 -10.727 458 HG3 GLU 56 HG2 GLU 56 -0.977 30.809 -9.287 459 H LEU 57 H LEU 57 0.866 27.011 -12.105 460 HA LEU 57 HA LEU 57 3.407 26.106 -10.990 461 HB2 LEU 57 HB3 LEU 57 1.551 24.607 -12.669 462 HB3 LEU 57 HB2 LEU 57 2.964 23.953 -11.903 463 HG LEU 57 HG LEU 57 0.456 24.838 -10.442 464 HD11 LEU 57 HD11 LEU 57 1.620 22.092 -10.862 465 HD12 LEU 57 HD12 LEU 57 0.161 22.730 -11.614 466 HD13 LEU 57 HD13 LEU 57 0.213 22.477 -9.873 467 HD21 LEU 57 HD21 LEU 57 3.013 23.638 -9.368 468 HD22 LEU 57 HD22 LEU 57 1.551 23.944 -8.432 469 HD23 LEU 57 HD23 LEU 57 2.456 25.292 -9.113 470 H ASN 58 H ASN 58 4.797 25.217 -12.631 471 HA ASN 58 HA ASN 58 4.546 26.749 -15.113 472 HB2 ASN 58 HB3 ASN 58 6.340 27.609 -13.615 473 HB3 ASN 58 HB2 ASN 58 7.067 26.012 -13.567 474 HD21 ASN 58 HD21 ASN 58 8.768 26.458 -16.532 475 HD22 ASN 58 HD22 ASN 58 8.472 25.473 -15.124 476 HA PRO 59 HA PRO 59 4.490 22.935 -17.386 477 HB2 PRO 59 HB3 PRO 59 6.542 23.489 -19.253 478 HB3 PRO 59 HB2 PRO 59 4.814 23.755 -19.471 479 HG2 PRO 59 HG3 PRO 59 6.937 25.675 -18.679 480 HG3 PRO 59 HG2 PRO 59 5.444 25.959 -19.589 481 HD2 PRO 59 HD3 PRO 59 5.744 26.718 -17.040 482 HD3 PRO 59 HD2 PRO 59 4.180 26.172 -17.653 483 H GLN 60 H GLN 60 7.523 24.089 -16.165 484 HA GLN 60 HA GLN 60 8.825 21.530 -16.594 485 HB2 GLN 60 HB3 GLN 60 9.829 23.973 -15.158 486 HB3 GLN 60 HB2 GLN 60 10.789 22.532 -15.499 487 HG2 GLN 60 HG3 GLN 60 10.288 22.890 -17.877 488 HG3 GLN 60 HG2 GLN 60 9.553 24.424 -17.443 489 HE21 GLN 60 HE21 GLN 60 13.569 24.067 -17.497 490 HE22 GLN 60 HE22 GLN 60 12.542 22.704 -17.724 491 H ASP 61 H ASP 61 6.729 22.735 -14.208 492 HA ASP 61 HA ASP 61 7.806 21.176 -12.102 493 HB2 ASP 61 HB3 ASP 61 5.559 23.057 -12.584 494 HB3 ASP 61 HB2 ASP 61 5.637 22.074 -11.149 495 H ILE 62 H ILE 62 5.741 20.927 -14.775 496 HA ILE 62 HA ILE 62 3.697 19.341 -13.852 497 HB ILE 62 HB ILE 62 4.933 19.285 -16.615 498 HG12 ILE 62 HG13 ILE 62 4.164 21.501 -16.036 499 HG13 ILE 62 HG12 ILE 62 3.022 20.745 -17.147 500 HG21 ILE 62 HG21 ILE 62 2.237 18.269 -15.706 501 HG22 ILE 62 HG22 ILE 62 3.592 17.275 -16.232 502 HG23 ILE 62 HG23 ILE 62 2.800 18.359 -17.376 503 HD11 ILE 62 HD11 ILE 62 1.871 21.979 -15.437 504 HD12 ILE 62 HD12 ILE 62 2.673 21.054 -14.180 505 HD13 ILE 62 HD13 ILE 62 1.535 20.257 -15.273 506 HA PRO 63 HA PRO 63 6.189 15.354 -14.690 507 HB2 PRO 63 HB3 PRO 63 9.005 15.827 -14.609 508 HB3 PRO 63 HB2 PRO 63 8.064 15.151 -15.932 509 HG2 PRO 63 HG3 PRO 63 9.300 17.673 -15.877 510 HG3 PRO 63 HG2 PRO 63 8.136 17.100 -17.069 511 HD2 PRO 63 HD3 PRO 63 7.789 18.978 -14.854 512 HD3 PRO 63 HD2 PRO 63 6.785 18.742 -16.297 513 H LYS 64 H LYS 64 7.748 17.861 -12.862 514 HA LYS 64 HA LYS 64 8.945 16.192 -10.908 515 HB2 LYS 64 HB3 LYS 64 8.238 19.100 -10.525 516 HB3 LYS 64 HB2 LYS 64 9.487 18.187 -9.696 517 HG2 LYS 64 HG3 LYS 64 10.490 17.922 -12.124 518 HG3 LYS 64 HG2 LYS 64 9.454 19.288 -12.470 519 HD2 LYS 64 HD3 LYS 64 11.464 19.259 -10.241 520 HD3 LYS 64 HD2 LYS 64 11.779 19.983 -11.822 521 HE2 LYS 64 HE3 LYS 64 9.532 20.816 -9.975 522 HE3 LYS 64 HE2 LYS 64 11.137 21.529 -9.920 523 HZ1 LYS 64 HZ1 LYS 64 9.341 22.679 -11.220 524 HZ2 LYS 64 HZ2 LYS 64 9.616 21.518 -12.453 525 HZ3 LYS 64 HZ3 LYS 64 10.845 22.537 -11.937 526 H TYR 65 H TYR 65 5.888 17.908 -11.020 527 HA TYR 65 HA TYR 65 5.204 17.188 -8.308 528 HB2 TYR 65 HB3 TYR 65 3.768 18.709 -10.461 529 HB3 TYR 65 HB2 TYR 65 2.988 18.261 -8.961 530 HD1 TYR 65 HD1 TYR 65 6.407 19.645 -9.649 531 HD2 TYR 65 HD2 TYR 65 2.643 20.164 -7.785 532 HE1 TYR 65 HE1 TYR 65 7.202 21.755 -8.680 533 HE2 TYR 65 HE2 TYR 65 3.420 22.295 -6.802 534 HH TYR 65 HH TYR 65 6.252 23.820 -7.861 535 H PHE 66 H PHE 66 3.589 16.721 -11.440 536 HA PHE 66 HA PHE 66 1.726 14.898 -10.276 537 HB2 PHE 66 HB3 PHE 66 2.110 15.727 -13.159 538 HB3 PHE 66 HB2 PHE 66 0.761 14.773 -12.552 539 HD1 PHE 66 HD1 PHE 66 -0.880 15.793 -11.015 540 HD2 PHE 66 HD2 PHE 66 2.176 18.094 -12.877 541 HE1 PHE 66 HE1 PHE 66 -2.109 17.849 -10.473 542 HE2 PHE 66 HE2 PHE 66 0.951 20.163 -12.335 543 HZ PHE 66 HZ PHE 66 -1.199 20.034 -11.118 544 H PHE 67 H PHE 67 4.334 14.582 -12.635 545 HA PHE 67 HA PHE 67 3.950 11.691 -12.725 546 HB2 PHE 67 HB3 PHE 67 5.891 13.470 -14.170 547 HB3 PHE 67 HB2 PHE 67 5.764 11.758 -14.413 548 HD1 PHE 67 HD1 PHE 67 4.340 14.953 -15.306 549 HD2 PHE 67 HD2 PHE 67 3.616 10.775 -15.218 550 HE1 PHE 67 HE1 PHE 67 2.509 15.250 -16.914 551 HE2 PHE 67 HE2 PHE 67 1.775 11.054 -16.846 552 HZ PHE 67 HZ PHE 67 1.227 13.301 -17.690 553 H ASN 68 H ASN 68 4.429 12.043 -10.423 554 HA ASN 68 HA ASN 68 6.821 12.705 -9.279 555 HB2 ASN 68 HB3 ASN 68 4.355 12.153 -8.461 556 HB3 ASN 68 HB2 ASN 68 5.172 10.668 -7.975 557 HD21 ASN 68 HD21 ASN 68 5.946 14.189 -6.261 558 HD22 ASN 68 HD22 ASN 68 5.056 14.068 -7.722 559 H ALA 69 H ALA 69 8.131 11.575 -10.875 560 HA ALA 69 HA ALA 69 9.553 10.132 -11.614 561 HB1 ALA 69 HB1 ALA 69 9.438 8.988 -8.815 562 HB2 ALA 69 HB2 ALA 69 10.450 10.318 -9.409 563 HB3 ALA 69 HB3 ALA 69 10.727 8.676 -10.004 564 H LYS 70 H LYS 70 6.863 9.800 -11.761 565 HA LYS 70 HA LYS 70 6.489 6.914 -12.180 566 HB2 LYS 70 HB3 LYS 70 5.222 7.893 -10.216 567 HB3 LYS 70 HB2 LYS 70 4.433 8.964 -11.353 568 HG2 LYS 70 HG3 LYS 70 3.369 7.066 -12.422 569 HG3 LYS 70 HG2 LYS 70 4.218 5.959 -11.332 570 HD2 LYS 70 HD3 LYS 70 3.182 7.123 -9.406 571 HD3 LYS 70 HD2 LYS 70 2.258 8.111 -10.531 572 HE2 LYS 70 HE3 LYS 70 1.131 6.156 -11.375 573 HE3 LYS 70 HE2 LYS 70 2.125 5.108 -10.365 574 HZ1 LYS 70 HZ1 LYS 70 0.066 5.382 -9.317 575 HZ2 LYS 70 HZ2 LYS 70 0.103 7.079 -9.412 576 HZ3 LYS 70 HZ3 LYS 70 1.186 6.243 -8.419 577 H VAL 71 H VAL 71 7.512 7.361 -13.944 578 HA VAL 71 HA VAL 71 5.692 8.244 -16.011 579 HB VAL 71 HB VAL 71 8.673 7.668 -16.165 580 HG11 VAL 71 HG11 VAL 71 7.470 7.277 -18.127 581 HG12 VAL 71 HG12 VAL 71 8.458 8.757 -18.331 582 HG13 VAL 71 HG13 VAL 71 6.699 8.855 -18.012 583 HG21 VAL 71 HG21 VAL 71 7.268 10.345 -16.086 584 HG22 VAL 71 HG22 VAL 71 8.993 10.094 -16.357 585 HG23 VAL 71 HG23 VAL 71 8.272 9.672 -14.803 586 H HIS 72 H HIS 72 4.473 6.444 -16.265 587 HA HIS 72 HA HIS 72 5.838 3.883 -16.529 588 HB2 HIS 72 HB3 HIS 72 5.135 4.236 -14.177 589 HB3 HIS 72 HB2 HIS 72 3.487 4.463 -14.725 590 HD1 HIS 72 HD1 HIS 72 2.191 2.483 -14.071 591 HD2 HIS 72 HD2 HIS 72 6.027 1.446 -15.268 592 HE1 HIS 72 HE1 HIS 72 2.302 -0.011 -13.872 Start of MODEL 18 1 H GLY -1 H GLY -1 13.937 2.884 -3.312 2 HA2 GLY -1 HA2 GLY -1 12.700 1.442 -1.829 3 HA3 GLY -1 HA3 GLY -1 11.916 3.007 -2.049 4 H SER 0 H SER 0 10.511 0.541 -2.253 5 HA SER 0 HA SER 0 10.260 -0.281 -4.953 6 HB2 SER 0 HB3 SER 0 8.278 -0.538 -2.683 7 HB3 SER 0 HB2 SER 0 8.296 -1.491 -4.166 8 HG SER 0 HG SER 0 9.535 -1.964 -1.905 9 H MET 1 H MET 1 8.793 2.165 -2.986 10 HA MET 1 HA MET 1 7.408 3.161 -5.335 11 HB2 MET 1 HB3 MET 1 5.629 4.065 -3.874 12 HB3 MET 1 HB2 MET 1 5.696 2.319 -3.801 13 HG2 MET 1 HG3 MET 1 6.830 4.188 -1.714 14 HG3 MET 1 HG2 MET 1 5.257 3.405 -1.620 15 HE1 MET 1 HE1 MET 1 4.943 0.783 -1.399 16 HE2 MET 1 HE2 MET 1 6.269 -0.370 -1.258 17 HE3 MET 1 HE3 MET 1 5.985 0.459 -2.788 18 H SER 2 H SER 2 7.842 5.220 -5.801 19 HA SER 2 HA SER 2 9.366 6.723 -3.803 20 HB2 SER 2 HB3 SER 2 9.934 6.552 -6.764 21 HB3 SER 2 HB2 SER 2 10.823 7.545 -5.606 22 HG SER 2 HG SER 2 11.086 5.492 -4.437 23 H TYR 3 H TYR 3 6.599 6.690 -5.593 24 HA TYR 3 HA TYR 3 6.577 9.550 -6.014 25 HB2 TYR 3 HB3 TYR 3 4.505 7.423 -6.673 26 HB3 TYR 3 HB2 TYR 3 4.232 9.149 -6.907 27 HD1 TYR 3 HD1 TYR 3 4.325 9.695 -9.208 28 HD2 TYR 3 HD2 TYR 3 7.124 6.880 -7.678 29 HE1 TYR 3 HE1 TYR 3 5.466 9.578 -11.432 30 HE2 TYR 3 HE2 TYR 3 8.205 6.748 -9.860 31 HH TYR 3 HH TYR 3 7.633 7.138 -12.201 32 H ASP 4 H ASP 4 6.813 10.205 -4.052 33 HA ASP 4 HA ASP 4 4.962 9.496 -1.892 34 HB2 ASP 4 HB3 ASP 4 7.576 10.929 -2.006 35 HB3 ASP 4 HB2 ASP 4 6.513 11.192 -0.632 36 H TYR 5 H TYR 5 5.496 11.985 -4.099 37 HA TYR 5 HA TYR 5 4.390 13.875 -4.655 38 HB2 TYR 5 HB3 TYR 5 2.289 13.075 -2.608 39 HB3 TYR 5 HB2 TYR 5 2.167 14.335 -3.818 40 HD1 TYR 5 HD1 TYR 5 1.763 13.818 -6.115 41 HD2 TYR 5 HD2 TYR 5 2.161 10.734 -3.231 42 HE1 TYR 5 HE1 TYR 5 0.824 12.183 -7.724 43 HE2 TYR 5 HE2 TYR 5 1.217 9.106 -4.797 44 HH TYR 5 HH TYR 5 -0.249 9.143 -6.687 45 H SER 6 H SER 6 6.092 13.624 -2.069 46 HA SER 6 HA SER 6 5.222 15.364 -0.129 47 HB2 SER 6 HB3 SER 6 7.108 13.853 0.143 48 HB3 SER 6 HB2 SER 6 8.061 14.823 -0.975 49 HG SER 6 HG SER 6 7.069 15.570 1.566 50 H SER 7 H SER 7 7.205 16.311 -2.987 51 HA SER 7 HA SER 7 7.450 19.015 -2.326 52 HB2 SER 7 HB3 SER 7 7.320 17.712 -5.046 53 HB3 SER 7 HB2 SER 7 8.033 19.283 -4.688 54 HG SER 7 HG SER 7 9.762 18.181 -4.412 55 H LEU 8 H LEU 8 4.898 17.193 -3.804 56 HA LEU 8 HA LEU 8 3.446 19.469 -4.848 57 HB2 LEU 8 HB3 LEU 8 3.655 17.062 -5.827 58 HB3 LEU 8 HB2 LEU 8 2.529 16.589 -4.595 59 HG LEU 8 HG LEU 8 1.875 18.598 -6.776 60 HD11 LEU 8 HD11 LEU 8 1.142 15.688 -6.550 61 HD12 LEU 8 HD12 LEU 8 2.349 16.335 -7.659 62 HD13 LEU 8 HD13 LEU 8 0.653 16.793 -7.832 63 HD21 LEU 8 HD21 LEU 8 0.571 18.749 -4.753 64 HD22 LEU 8 HD22 LEU 8 0.177 17.008 -4.935 65 HD23 LEU 8 HD23 LEU 8 -0.394 18.182 -6.138 66 H LEU 9 H LEU 9 3.190 17.152 -2.157 67 HA LEU 9 HA LEU 9 0.835 17.964 -1.044 68 HB2 LEU 9 HB3 LEU 9 3.342 16.820 0.134 69 HB3 LEU 9 HB2 LEU 9 1.832 16.966 0.983 70 HG LEU 9 HG LEU 9 2.360 15.247 -1.435 71 HD11 LEU 9 HD11 LEU 9 3.373 14.373 0.593 72 HD12 LEU 9 HD12 LEU 9 2.011 13.379 0.084 73 HD13 LEU 9 HD13 LEU 9 1.825 14.503 1.429 74 HD21 LEU 9 HD21 LEU 9 0.109 14.344 -1.025 75 HD22 LEU 9 HD22 LEU 9 0.089 16.027 -1.524 76 HD23 LEU 9 HD23 LEU 9 -0.165 15.608 0.177 77 H GLY 10 H GLY 10 4.069 19.310 -0.759 78 HA2 GLY 10 HA3 GLY 10 3.517 21.048 1.419 79 HA3 GLY 10 HA2 GLY 10 4.832 21.233 0.259 80 H LYS 11 H LYS 11 3.370 21.464 -2.134 81 HA LYS 11 HA LYS 11 2.759 24.172 -2.119 82 HB2 LYS 11 HB3 LYS 11 2.470 21.940 -4.081 83 HB3 LYS 11 HB2 LYS 11 1.982 23.586 -4.447 84 HG2 LYS 11 HG3 LYS 11 4.694 22.853 -3.477 85 HG3 LYS 11 HG2 LYS 11 4.275 22.918 -5.200 86 HD2 LYS 11 HD3 LYS 11 3.771 25.260 -5.060 87 HD3 LYS 11 HD2 LYS 11 3.901 25.253 -3.306 88 HE2 LYS 11 HE3 LYS 11 6.174 24.674 -5.188 89 HE3 LYS 11 HE2 LYS 11 5.863 26.249 -4.461 90 HZ1 LYS 11 HZ1 LYS 11 7.484 25.105 -3.137 91 HZ2 LYS 11 HZ2 LYS 11 6.566 23.720 -3.090 92 HZ3 LYS 11 HZ3 LYS 11 6.035 25.089 -2.247 93 H ILE 12 H ILE 12 0.896 21.295 -1.973 94 HA ILE 12 HA ILE 12 -1.682 22.306 -2.377 95 HB ILE 12 HB ILE 12 -0.845 20.126 -0.435 96 HG12 ILE 12 HG13 ILE 12 -1.901 19.978 -3.263 97 HG13 ILE 12 HG12 ILE 12 -0.254 19.634 -2.749 98 HG21 ILE 12 HG21 ILE 12 -3.184 19.369 -0.521 99 HG22 ILE 12 HG22 ILE 12 -3.595 20.785 -1.489 100 HG23 ILE 12 HG23 ILE 12 -3.040 20.985 0.173 101 HD11 ILE 12 HD11 ILE 12 -1.134 17.755 -1.396 102 HD12 ILE 12 HD12 ILE 12 -1.412 17.585 -3.125 103 HD13 ILE 12 HD13 ILE 12 -2.735 18.078 -2.061 104 H THR 13 H THR 13 0.120 21.997 0.679 105 HA THR 13 HA THR 13 -1.763 23.245 2.317 106 HB THR 13 HB THR 13 1.209 23.175 2.613 107 HG1 THR 13 HG1 THR 13 -0.883 21.312 3.147 108 HG21 THR 13 HG21 THR 13 -1.040 23.240 4.652 109 HG22 THR 13 HG22 THR 13 0.040 24.577 4.271 110 HG23 THR 13 HG23 THR 13 0.675 23.124 5.053 111 H GLU 14 H GLU 14 0.973 24.433 0.515 112 HA GLU 14 HA GLU 14 1.018 26.988 1.528 113 HB2 GLU 14 HB3 GLU 14 1.934 25.664 -0.820 114 HB3 GLU 14 HB2 GLU 14 2.177 27.431 -0.828 115 HG2 GLU 14 HG3 GLU 14 3.475 26.925 1.352 116 HG3 GLU 14 HG2 GLU 14 3.367 25.229 0.870 117 H LYS 15 H LYS 15 -0.854 25.702 -1.249 118 HA LYS 15 HA LYS 15 -1.482 28.359 -2.069 119 HB2 LYS 15 HB3 LYS 15 -1.336 25.698 -3.115 120 HB3 LYS 15 HB2 LYS 15 -2.734 26.577 -3.642 121 HG2 LYS 15 HG3 LYS 15 -0.860 26.852 -5.247 122 HG3 LYS 15 HG2 LYS 15 -1.092 28.394 -4.419 123 HD2 LYS 15 HD3 LYS 15 0.713 27.852 -2.888 124 HD3 LYS 15 HD2 LYS 15 0.916 26.282 -3.654 125 HE2 LYS 15 HE3 LYS 15 2.593 27.803 -4.389 126 HE3 LYS 15 HE2 LYS 15 1.540 27.403 -5.746 127 HZ1 LYS 15 HZ1 LYS 15 2.153 29.748 -5.612 128 HZ2 LYS 15 HZ2 LYS 15 1.422 29.909 -4.136 129 HZ3 LYS 15 HZ3 LYS 15 0.491 29.617 -5.505 130 H CYS 16 H CYS 16 -2.987 25.326 -0.928 131 HA CYS 16 HA CYS 16 -5.549 26.595 -1.123 132 HB2 CYS 16 HB3 CYS 16 -4.670 23.734 -1.151 133 HB3 CYS 16 HB2 CYS 16 -6.293 24.350 -1.388 134 HG CYS 16 HG CYS 16 -5.205 25.888 -3.722 135 H GLY 17 H GLY 17 -3.302 24.603 0.775 136 HA2 GLY 17 HA3 GLY 17 -3.576 24.967 3.279 137 HA3 GLY 17 HA2 GLY 17 -5.254 24.801 2.870 138 H THR 18 H THR 18 -5.901 22.895 1.836 139 HA THR 18 HA THR 18 -4.525 20.485 2.845 140 HB THR 18 HB THR 18 -6.609 19.651 3.799 141 HG1 THR 18 HG1 THR 18 -8.408 21.181 3.850 142 HG21 THR 18 HG21 THR 18 -6.975 21.371 5.592 143 HG22 THR 18 HG22 THR 18 -5.977 22.473 4.598 144 HG23 THR 18 HG23 THR 18 -5.266 21.020 5.268 145 H GLN 19 H GLN 19 -6.060 18.499 2.029 146 HA GLN 19 HA GLN 19 -6.059 18.749 -0.806 147 HB2 GLN 19 HB3 GLN 19 -6.897 16.453 0.975 148 HB3 GLN 19 HB2 GLN 19 -6.822 16.359 -0.781 149 HG2 GLN 19 HG3 GLN 19 -4.425 16.851 -0.720 150 HG3 GLN 19 HG2 GLN 19 -4.495 16.973 1.032 151 HE21 GLN 19 HE21 GLN 19 -4.278 13.380 -0.789 152 HE22 GLN 19 HE22 GLN 19 -4.530 14.823 -1.680 153 H TYR 20 H TYR 20 -8.445 19.096 1.634 154 HA TYR 20 HA TYR 20 -10.823 18.865 0.085 155 HB2 TYR 20 HB3 TYR 20 -10.811 19.036 2.571 156 HB3 TYR 20 HB2 TYR 20 -10.164 20.635 2.427 157 HD1 TYR 20 HD1 TYR 20 -13.206 18.713 1.423 158 HD2 TYR 20 HD2 TYR 20 -11.519 22.487 2.391 159 HE1 TYR 20 HE1 TYR 20 -15.450 19.735 1.367 160 HE2 TYR 20 HE2 TYR 20 -13.742 23.516 2.341 161 HH TYR 20 HH TYR 20 -16.578 21.681 2.299 162 H ASN 21 H ASN 21 -9.049 21.571 1.228 163 HA ASN 21 HA ASN 21 -10.171 23.681 -0.184 164 HB2 ASN 21 HB3 ASN 21 -7.323 23.283 0.652 165 HB3 ASN 21 HB2 ASN 21 -8.011 24.815 0.186 166 HD21 ASN 21 HD21 ASN 21 -8.094 25.255 3.691 167 HD22 ASN 21 HD22 ASN 21 -7.289 25.550 2.221 168 H PHE 22 H PHE 22 -7.429 21.633 -1.008 169 HA PHE 22 HA PHE 22 -6.533 22.601 -3.444 170 HB2 PHE 22 HB3 PHE 22 -5.694 20.648 -2.043 171 HB3 PHE 22 HB2 PHE 22 -6.977 19.720 -2.733 172 HD1 PHE 22 HD1 PHE 22 -6.795 18.656 -4.797 173 HD2 PHE 22 HD2 PHE 22 -3.887 21.533 -3.652 174 HE1 PHE 22 HE1 PHE 22 -5.374 17.955 -6.674 175 HE2 PHE 22 HE2 PHE 22 -2.462 20.839 -5.535 176 HZ PHE 22 HZ PHE 22 -3.201 19.054 -7.044 177 H ALA 23 H ALA 23 -8.946 20.171 -2.794 178 HA ALA 23 HA ALA 23 -9.877 19.709 -5.355 179 HB1 ALA 23 HB1 ALA 23 -10.451 18.273 -3.440 180 HB2 ALA 23 HB2 ALA 23 -11.900 18.762 -4.309 181 HB3 ALA 23 HB3 ALA 23 -11.478 19.544 -2.792 182 H ILE 24 H ILE 24 -10.964 22.112 -2.945 183 HA ILE 24 HA ILE 24 -13.168 23.236 -4.224 184 HB ILE 24 HB ILE 24 -11.092 24.589 -2.505 185 HG12 ILE 24 HG13 ILE 24 -12.120 22.572 -1.491 186 HG13 ILE 24 HG12 ILE 24 -12.446 24.055 -0.642 187 HG21 ILE 24 HG21 ILE 24 -12.473 26.229 -3.650 188 HG22 ILE 24 HG22 ILE 24 -12.869 26.188 -1.932 189 HG23 ILE 24 HG23 ILE 24 -13.935 25.408 -3.098 190 HD11 ILE 24 HD11 ILE 24 -14.323 22.609 -2.486 191 HD12 ILE 24 HD12 ILE 24 -14.680 24.107 -1.619 192 HD13 ILE 24 HD13 ILE 24 -14.380 22.614 -0.721 193 H ALA 25 H ALA 25 -9.789 24.264 -4.169 194 HA ALA 25 HA ALA 25 -10.045 26.452 -5.892 195 HB1 ALA 25 HB1 ALA 25 -7.620 26.486 -5.905 196 HB2 ALA 25 HB2 ALA 25 -7.579 24.855 -5.234 197 HB3 ALA 25 HB3 ALA 25 -8.228 26.185 -4.277 198 H MET 26 H MET 26 -9.367 23.082 -6.533 199 HA MET 26 HA MET 26 -8.848 23.614 -9.313 200 HB2 MET 26 HB3 MET 26 -9.056 21.092 -7.737 201 HB3 MET 26 HB2 MET 26 -8.996 21.021 -9.480 202 HG2 MET 26 HG3 MET 26 -6.844 22.353 -9.315 203 HG3 MET 26 HG2 MET 26 -6.918 22.072 -7.580 204 HE1 MET 26 HE1 MET 26 -7.979 19.572 -10.505 205 HE2 MET 26 HE2 MET 26 -6.462 18.701 -10.723 206 HE3 MET 26 HE3 MET 26 -6.560 20.411 -11.127 207 H GLY 27 H GLY 27 -11.603 22.590 -7.439 208 HA2 GLY 27 HA3 GLY 27 -13.798 23.097 -8.204 209 HA3 GLY 27 HA2 GLY 27 -13.218 22.967 -9.859 210 H LEU 28 H LEU 28 -12.487 20.626 -7.361 211 HA LEU 28 HA LEU 28 -14.302 18.686 -8.639 212 HB2 LEU 28 HB3 LEU 28 -11.526 18.231 -7.526 213 HB3 LEU 28 HB2 LEU 28 -12.645 16.949 -7.891 214 HG LEU 28 HG LEU 28 -11.034 17.015 -9.569 215 HD11 LEU 28 HD11 LEU 28 -13.563 18.225 -10.631 216 HD12 LEU 28 HD12 LEU 28 -13.229 16.518 -10.363 217 HD13 LEU 28 HD13 LEU 28 -12.346 17.400 -11.605 218 HD21 LEU 28 HD21 LEU 28 -10.539 18.971 -10.970 219 HD22 LEU 28 HD22 LEU 28 -10.178 19.259 -9.271 220 HD23 LEU 28 HD23 LEU 28 -11.640 19.935 -9.985 221 H SER 29 H SER 29 -14.892 16.966 -7.114 222 HA SER 29 HA SER 29 -15.292 17.950 -4.458 223 HB2 SER 29 HB3 SER 29 -16.958 16.450 -5.655 224 HB3 SER 29 HB2 SER 29 -15.728 15.184 -5.607 225 HG SER 29 HG SER 29 -16.822 16.455 -3.328 226 H GLU 30 H GLU 30 -14.352 16.840 -2.601 227 HA GLU 30 HA GLU 30 -11.580 16.434 -2.896 228 HB2 GLU 30 HB3 GLU 30 -11.572 15.688 -0.538 229 HB3 GLU 30 HB2 GLU 30 -12.437 17.200 -0.766 230 HG2 GLU 30 HG3 GLU 30 -14.521 16.172 -0.488 231 HG3 GLU 30 HG2 GLU 30 -13.822 14.568 -0.697 232 H ARG 31 H ARG 31 -14.256 14.309 -2.971 233 HA ARG 31 HA ARG 31 -13.127 11.784 -2.529 234 HB2 ARG 31 HB3 ARG 31 -15.569 12.575 -2.901 235 HB3 ARG 31 HB2 ARG 31 -15.221 12.414 -4.593 236 HG2 ARG 31 HG3 ARG 31 -15.190 10.151 -2.580 237 HG3 ARG 31 HG2 ARG 31 -16.476 10.477 -3.725 238 HD2 ARG 31 HD3 ARG 31 -14.601 10.212 -5.500 239 HD3 ARG 31 HD2 ARG 31 -13.734 9.398 -4.201 240 HE ARG 31 HE ARG 31 -16.282 8.575 -5.380 241 HH11 ARG 31 HH11 ARG 31 -13.547 7.688 -3.259 242 HH12 ARG 31 HH12 ARG 31 -13.765 6.028 -3.481 243 HH21 ARG 31 HH21 ARG 31 -16.538 6.279 -5.667 244 HH22 ARG 31 HH22 ARG 31 -15.475 5.209 -4.874 245 H THR 32 H THR 32 -13.485 13.691 -5.498 246 HA THR 32 HA THR 32 -12.404 11.774 -7.304 247 HB THR 32 HB THR 32 -12.562 14.776 -7.648 248 HG1 THR 32 HG1 THR 32 -14.706 14.320 -8.395 249 HG21 THR 32 HG21 THR 32 -11.461 13.492 -9.455 250 HG22 THR 32 HG22 THR 32 -12.977 14.216 -9.993 251 HG23 THR 32 HG23 THR 32 -12.910 12.496 -9.610 252 H VAL 33 H VAL 33 -11.137 14.647 -5.679 253 HA VAL 33 HA VAL 33 -8.614 14.664 -6.748 254 HB VAL 33 HB VAL 33 -9.838 15.704 -4.201 255 HG11 VAL 33 HG11 VAL 33 -7.915 17.095 -4.052 256 HG12 VAL 33 HG12 VAL 33 -7.137 16.206 -5.398 257 HG13 VAL 33 HG13 VAL 33 -7.462 15.387 -3.837 258 HG21 VAL 33 HG21 VAL 33 -9.618 17.706 -5.346 259 HG22 VAL 33 HG22 VAL 33 -10.509 16.457 -6.318 260 HG23 VAL 33 HG23 VAL 33 -8.768 16.804 -6.621 261 H SER 34 H SER 34 -10.006 13.031 -3.986 262 HA SER 34 HA SER 34 -7.513 12.561 -3.235 263 HB2 SER 34 HB3 SER 34 -10.042 11.387 -2.115 264 HB3 SER 34 HB2 SER 34 -8.479 11.178 -1.317 265 HG SER 34 HG SER 34 -9.865 13.554 -1.907 266 H LEU 35 H LEU 35 -9.531 11.043 -5.447 267 HA LEU 35 HA LEU 35 -8.406 8.378 -5.296 268 HB2 LEU 35 HB3 LEU 35 -10.196 9.663 -7.354 269 HB3 LEU 35 HB2 LEU 35 -9.702 7.989 -7.372 270 HG LEU 35 HG LEU 35 -11.441 9.300 -5.293 271 HD11 LEU 35 HD11 LEU 35 -13.200 7.906 -6.233 272 HD12 LEU 35 HD12 LEU 35 -12.084 7.319 -7.468 273 HD13 LEU 35 HD13 LEU 35 -12.548 9.021 -7.431 274 HD21 LEU 35 HD21 LEU 35 -10.580 6.420 -5.595 275 HD22 LEU 35 HD22 LEU 35 -11.777 7.019 -4.452 276 HD23 LEU 35 HD23 LEU 35 -10.094 7.521 -4.301 277 H LYS 36 H LYS 36 -8.356 11.133 -7.589 278 HA LYS 36 HA LYS 36 -6.494 10.035 -9.312 279 HB2 LYS 36 HB3 LYS 36 -7.379 12.805 -8.823 280 HB3 LYS 36 HB2 LYS 36 -6.279 12.322 -10.110 281 HG2 LYS 36 HG3 LYS 36 -7.985 10.689 -10.850 282 HG3 LYS 36 HG2 LYS 36 -9.109 11.426 -9.703 283 HD2 LYS 36 HD3 LYS 36 -8.464 13.483 -10.626 284 HD3 LYS 36 HD2 LYS 36 -7.706 12.694 -12.011 285 HE2 LYS 36 HE3 LYS 36 -9.927 11.411 -12.304 286 HE3 LYS 36 HE2 LYS 36 -10.638 12.612 -11.238 287 HZ1 LYS 36 HZ1 LYS 36 -9.856 14.339 -12.922 288 HZ2 LYS 36 HZ2 LYS 36 -11.055 13.286 -13.418 289 HZ3 LYS 36 HZ3 LYS 36 -9.503 13.038 -13.936 290 H LEU 37 H LEU 37 -6.247 12.466 -6.748 291 HA LEU 37 HA LEU 37 -3.369 12.499 -6.966 292 HB2 LEU 37 HB3 LEU 37 -4.461 14.611 -6.720 293 HB3 LEU 37 HB2 LEU 37 -5.306 14.170 -5.280 294 HG LEU 37 HG LEU 37 -2.956 13.842 -4.354 295 HD11 LEU 37 HD11 LEU 37 -1.369 15.468 -5.270 296 HD12 LEU 37 HD12 LEU 37 -2.536 15.648 -6.614 297 HD13 LEU 37 HD13 LEU 37 -1.765 14.079 -6.309 298 HD21 LEU 37 HD21 LEU 37 -2.944 16.176 -3.589 299 HD22 LEU 37 HD22 LEU 37 -4.549 15.453 -3.505 300 HD23 LEU 37 HD23 LEU 37 -4.147 16.564 -4.816 301 H ASN 38 H ASN 38 -3.894 10.174 -6.505 302 HA ASN 38 HA ASN 38 -2.826 9.812 -3.903 303 HB2 ASN 38 HB3 ASN 38 -5.339 9.599 -3.871 304 HB3 ASN 38 HB2 ASN 38 -5.158 8.174 -4.866 305 HD21 ASN 38 HD21 ASN 38 -5.502 7.502 -1.249 306 HD22 ASN 38 HD22 ASN 38 -6.239 8.557 -2.444 307 H ASP 39 H ASP 39 -4.359 7.721 -6.308 308 HA ASP 39 HA ASP 39 -2.157 6.921 -7.824 309 HB2 ASP 39 HB3 ASP 39 -1.409 4.844 -6.945 310 HB3 ASP 39 HB2 ASP 39 -1.398 5.948 -5.581 311 H LYS 40 H LYS 40 -5.594 6.822 -7.270 312 HA LYS 40 HA LYS 40 -5.988 4.135 -8.095 313 HB2 LYS 40 HB3 LYS 40 -8.100 6.200 -7.888 314 HB3 LYS 40 HB2 LYS 40 -8.138 4.496 -7.576 315 HG2 LYS 40 HG3 LYS 40 -6.879 6.508 -5.710 316 HG3 LYS 40 HG2 LYS 40 -8.391 5.646 -5.449 317 HD2 LYS 40 HD3 LYS 40 -7.193 3.530 -5.355 318 HD3 LYS 40 HD2 LYS 40 -5.674 4.351 -5.719 319 HE2 LYS 40 HE3 LYS 40 -6.009 5.697 -3.630 320 HE3 LYS 40 HE2 LYS 40 -7.369 4.649 -3.235 321 HZ1 LYS 40 HZ1 LYS 40 -5.788 2.748 -3.301 322 HZ2 LYS 40 HZ2 LYS 40 -5.342 3.913 -2.142 323 HZ3 LYS 40 HZ3 LYS 40 -4.554 3.862 -3.615 324 H VAL 41 H VAL 41 -6.182 7.442 -9.295 325 HA VAL 41 HA VAL 41 -7.007 6.183 -11.773 326 HB VAL 41 HB VAL 41 -7.966 8.891 -11.573 327 HG11 VAL 41 HG11 VAL 41 -9.994 7.809 -12.304 328 HG12 VAL 41 HG12 VAL 41 -9.229 6.330 -11.682 329 HG13 VAL 41 HG13 VAL 41 -8.550 7.096 -13.140 330 HG21 VAL 41 HG21 VAL 41 -9.135 6.960 -9.585 331 HG22 VAL 41 HG22 VAL 41 -9.765 8.563 -9.989 332 HG23 VAL 41 HG23 VAL 41 -8.204 8.403 -9.174 333 H THR 42 H THR 42 -6.785 8.128 -13.503 334 HA THR 42 HA THR 42 -3.933 8.682 -13.344 335 HB THR 42 HB THR 42 -5.657 8.830 -15.772 336 HG1 THR 42 HG1 THR 42 -4.651 6.513 -14.417 337 HG21 THR 42 HG21 THR 42 -3.595 8.057 -16.872 338 HG22 THR 42 HG22 THR 42 -2.803 7.996 -15.290 339 HG23 THR 42 HG23 THR 42 -3.340 9.541 -15.951 340 H TRP 43 H TRP 43 -3.232 10.659 -14.347 341 HA TRP 43 HA TRP 43 -5.093 12.906 -14.158 342 HB2 TRP 43 HB3 TRP 43 -2.106 12.726 -13.941 343 HB3 TRP 43 HB2 TRP 43 -2.871 14.227 -14.421 344 HD1 TRP 43 HD1 TRP 43 -4.713 15.198 -12.534 345 HE1 TRP 43 HE1 TRP 43 -4.401 15.294 -9.986 346 HE3 TRP 43 HE3 TRP 43 -1.118 11.608 -12.029 347 HZ2 TRP 43 HZ2 TRP 43 -2.813 14.040 -8.022 348 HZ3 TRP 43 HZ3 TRP 43 -0.266 11.116 -9.775 349 HH2 TRP 43 HH2 TRP 43 -1.120 12.310 -7.819 350 H LYS 44 H LYS 44 -5.902 13.434 -16.048 351 HA LYS 44 HA LYS 44 -4.497 12.883 -18.495 352 HB2 LYS 44 HB3 LYS 44 -7.059 14.414 -17.941 353 HB3 LYS 44 HB2 LYS 44 -6.465 13.967 -19.526 354 HG2 LYS 44 HG3 LYS 44 -7.305 12.037 -17.368 355 HG3 LYS 44 HG2 LYS 44 -8.262 12.477 -18.781 356 HD2 LYS 44 HD3 LYS 44 -6.505 11.565 -20.239 357 HD3 LYS 44 HD2 LYS 44 -5.571 11.110 -18.816 358 HE2 LYS 44 HE3 LYS 44 -6.745 9.190 -19.684 359 HE3 LYS 44 HE2 LYS 44 -7.395 9.632 -18.108 360 HZ1 LYS 44 HZ1 LYS 44 -8.655 10.359 -20.712 361 HZ2 LYS 44 HZ2 LYS 44 -9.302 10.639 -19.184 362 HZ3 LYS 44 HZ3 LYS 44 -9.104 9.074 -19.743 363 H ASP 45 H ASP 45 -4.051 14.755 -20.000 364 HA ASP 45 HA ASP 45 -2.406 16.644 -18.726 365 HB2 ASP 45 HB3 ASP 45 -2.067 16.014 -21.074 366 HB3 ASP 45 HB2 ASP 45 -3.589 16.781 -21.506 367 H ASP 46 H ASP 46 -5.714 16.841 -19.797 368 HA ASP 46 HA ASP 46 -6.127 19.585 -19.326 369 HB2 ASP 46 HB3 ASP 46 -7.691 18.274 -20.658 370 HB3 ASP 46 HB2 ASP 46 -8.112 17.308 -19.252 371 H GLU 47 H GLU 47 -6.020 16.885 -17.159 372 HA GLU 47 HA GLU 47 -7.202 18.266 -14.902 373 HB2 GLU 47 HB3 GLU 47 -5.479 15.768 -14.976 374 HB3 GLU 47 HB2 GLU 47 -6.369 16.349 -13.581 375 HG2 GLU 47 HG3 GLU 47 -7.591 15.407 -16.164 376 HG3 GLU 47 HG2 GLU 47 -7.463 14.455 -14.684 377 H ILE 48 H ILE 48 -4.033 17.403 -16.104 378 HA ILE 48 HA ILE 48 -2.484 18.399 -13.997 379 HB ILE 48 HB ILE 48 -1.730 18.087 -16.922 380 HG12 ILE 48 HG13 ILE 48 -1.301 16.247 -14.553 381 HG13 ILE 48 HG12 ILE 48 -2.478 16.002 -15.834 382 HG21 ILE 48 HG21 ILE 48 0.601 18.060 -16.132 383 HG22 ILE 48 HG22 ILE 48 0.047 18.411 -14.497 384 HG23 ILE 48 HG23 ILE 48 -0.185 19.599 -15.779 385 HD11 ILE 48 HD11 ILE 48 0.515 16.010 -16.154 386 HD12 ILE 48 HD12 ILE 48 -0.655 15.775 -17.452 387 HD13 ILE 48 HD13 ILE 48 -0.535 14.591 -16.149 388 H LEU 49 H LEU 49 -3.483 19.942 -17.066 389 HA LEU 49 HA LEU 49 -2.156 22.372 -16.542 390 HB2 LEU 49 HB3 LEU 49 -3.354 23.341 -18.365 391 HB3 LEU 49 HB2 LEU 49 -2.799 21.743 -18.797 392 HG LEU 49 HG LEU 49 -5.106 20.995 -18.159 393 HD11 LEU 49 HD11 LEU 49 -6.919 22.694 -18.439 394 HD12 LEU 49 HD12 LEU 49 -5.660 23.925 -18.659 395 HD13 LEU 49 HD13 LEU 49 -5.792 23.082 -17.124 396 HD21 LEU 49 HD21 LEU 49 -5.934 21.477 -20.431 397 HD22 LEU 49 HD22 LEU 49 -4.238 20.962 -20.387 398 HD23 LEU 49 HD23 LEU 49 -4.641 22.668 -20.592 399 H LYS 50 H LYS 50 -5.081 21.145 -15.372 400 HA LYS 50 HA LYS 50 -6.218 23.640 -14.657 401 HB2 LYS 50 HB3 LYS 50 -7.053 20.982 -14.625 402 HB3 LYS 50 HB2 LYS 50 -6.922 21.398 -12.924 403 HG2 LYS 50 HG3 LYS 50 -8.542 22.853 -14.990 404 HG3 LYS 50 HG2 LYS 50 -9.158 21.794 -13.724 405 HD2 LYS 50 HD3 LYS 50 -8.493 23.324 -12.025 406 HD3 LYS 50 HD2 LYS 50 -7.582 24.304 -13.176 407 HE2 LYS 50 HE3 LYS 50 -9.665 25.399 -12.707 408 HE3 LYS 50 HE2 LYS 50 -9.647 24.775 -14.364 409 HZ1 LYS 50 HZ1 LYS 50 -10.965 23.442 -12.061 410 HZ2 LYS 50 HZ2 LYS 50 -11.031 22.939 -13.670 411 HZ3 LYS 50 HZ3 LYS 50 -11.749 24.395 -13.200 412 H ALA 51 H ALA 51 -4.487 21.103 -12.929 413 HA ALA 51 HA ALA 51 -4.256 22.404 -10.474 414 HB1 ALA 51 HB1 ALA 51 -2.357 20.397 -11.673 415 HB2 ALA 51 HB2 ALA 51 -3.838 20.011 -10.796 416 HB3 ALA 51 HB3 ALA 51 -2.505 20.816 -9.965 417 H VAL 52 H VAL 52 -2.136 22.464 -13.300 418 HA VAL 52 HA VAL 52 0.008 23.962 -12.298 419 HB VAL 52 HB VAL 52 -1.201 24.018 -15.091 420 HG11 VAL 52 HG11 VAL 52 0.168 26.021 -14.710 421 HG12 VAL 52 HG12 VAL 52 0.946 24.918 -15.846 422 HG13 VAL 52 HG13 VAL 52 1.507 25.004 -14.176 423 HG21 VAL 52 HG21 VAL 52 1.161 22.579 -13.960 424 HG22 VAL 52 HG22 VAL 52 0.648 22.527 -15.650 425 HG23 VAL 52 HG23 VAL 52 -0.382 21.838 -14.386 426 H HIS 53 H HIS 53 -3.059 25.119 -13.602 427 HA HIS 53 HA HIS 53 -2.313 27.882 -13.459 428 HB2 HIS 53 HB3 HIS 53 -4.048 26.799 -14.941 429 HB3 HIS 53 HB2 HIS 53 -5.087 26.765 -13.547 430 HD1 HIS 53 HD1 HIS 53 -6.509 28.802 -13.109 431 HD2 HIS 53 HD2 HIS 53 -3.268 29.659 -15.567 432 HE1 HIS 53 HE1 HIS 53 -6.769 31.200 -13.751 433 H VAL 54 H VAL 54 -3.603 25.621 -11.313 434 HA VAL 54 HA VAL 54 -4.896 27.615 -9.608 435 HB VAL 54 HB VAL 54 -4.737 24.592 -9.368 436 HG11 VAL 54 HG11 VAL 54 -6.273 26.550 -7.672 437 HG12 VAL 54 HG12 VAL 54 -4.885 25.581 -7.163 438 HG13 VAL 54 HG13 VAL 54 -6.401 24.792 -7.592 439 HG21 VAL 54 HG21 VAL 54 -6.141 25.340 -11.191 440 HG22 VAL 54 HG22 VAL 54 -7.007 26.427 -10.112 441 HG23 VAL 54 HG23 VAL 54 -7.133 24.681 -9.892 442 H LEU 55 H LEU 55 -2.368 25.117 -9.339 443 HA LEU 55 HA LEU 55 -1.471 25.936 -6.856 444 HB2 LEU 55 HB3 LEU 55 -0.828 24.050 -9.016 445 HB3 LEU 55 HB2 LEU 55 0.341 24.352 -7.799 446 HG LEU 55 HG LEU 55 -1.168 22.387 -7.673 447 HD11 LEU 55 HD11 LEU 55 -1.342 22.546 -5.114 448 HD12 LEU 55 HD12 LEU 55 -0.980 24.264 -5.271 449 HD13 LEU 55 HD13 LEU 55 0.220 23.067 -5.745 450 HD21 LEU 55 HD21 LEU 55 -3.318 23.353 -8.067 451 HD22 LEU 55 HD22 LEU 55 -3.165 24.389 -6.647 452 HD23 LEU 55 HD23 LEU 55 -3.329 22.645 -6.453 453 H GLU 56 H GLU 56 -1.102 27.243 -9.904 454 HA GLU 56 HA GLU 56 0.178 28.804 -10.840 455 HB2 GLU 56 HB3 GLU 56 1.346 29.166 -8.062 456 HB3 GLU 56 HB2 GLU 56 1.488 30.317 -9.385 457 HG2 GLU 56 HG3 GLU 56 -0.947 30.622 -9.378 458 HG3 GLU 56 HG2 GLU 56 -1.077 29.472 -8.053 459 H LEU 57 H LEU 57 0.977 26.266 -11.138 460 HA LEU 57 HA LEU 57 3.886 26.043 -10.757 461 HB2 LEU 57 HB3 LEU 57 1.974 24.143 -11.893 462 HB3 LEU 57 HB2 LEU 57 3.619 23.754 -11.465 463 HG LEU 57 HG LEU 57 1.338 24.342 -9.593 464 HD11 LEU 57 HD11 LEU 57 1.287 22.108 -10.522 465 HD12 LEU 57 HD12 LEU 57 1.710 22.043 -8.810 466 HD13 LEU 57 HD13 LEU 57 2.960 21.838 -10.035 467 HD21 LEU 57 HD21 LEU 57 4.240 23.798 -8.910 468 HD22 LEU 57 HD22 LEU 57 2.926 23.907 -7.741 469 HD23 LEU 57 HD23 LEU 57 3.388 25.324 -8.678 470 H ASN 58 H ASN 58 4.554 24.456 -12.863 471 HA ASN 58 HA ASN 58 3.917 25.986 -15.263 472 HB2 ASN 58 HB3 ASN 58 6.074 26.721 -14.340 473 HB3 ASN 58 HB2 ASN 58 6.618 25.063 -14.270 474 HD21 ASN 58 HD21 ASN 58 6.637 27.098 -17.778 475 HD22 ASN 58 HD22 ASN 58 5.802 27.657 -16.380 476 HA PRO 59 HA PRO 59 3.059 21.893 -16.820 477 HB2 PRO 59 HB3 PRO 59 3.584 22.257 -19.488 478 HB3 PRO 59 HB2 PRO 59 2.105 22.799 -18.686 479 HG2 PRO 59 HG3 PRO 59 4.568 24.357 -19.362 480 HG3 PRO 59 HG2 PRO 59 2.866 24.822 -19.528 481 HD2 PRO 59 HD3 PRO 59 4.397 25.664 -17.472 482 HD3 PRO 59 HD2 PRO 59 2.656 25.321 -17.262 483 H GLN 60 H GLN 60 6.242 23.248 -17.132 484 HA GLN 60 HA GLN 60 7.253 20.612 -17.902 485 HB2 GLN 60 HB3 GLN 60 8.644 23.290 -17.977 486 HB3 GLN 60 HB2 GLN 60 9.357 21.757 -18.462 487 HG2 GLN 60 HG3 GLN 60 7.584 21.541 -20.160 488 HG3 GLN 60 HG2 GLN 60 7.033 23.155 -19.741 489 HE21 GLN 60 HE21 GLN 60 9.439 23.161 -22.636 490 HE22 GLN 60 HE22 GLN 60 8.066 22.185 -22.235 491 H ASP 61 H ASP 61 6.504 22.107 -15.235 492 HA ASP 61 HA ASP 61 8.939 21.368 -13.703 493 HB2 ASP 61 HB3 ASP 61 7.762 23.701 -13.465 494 HB3 ASP 61 HB2 ASP 61 6.556 22.774 -12.548 495 H ILE 62 H ILE 62 6.225 20.204 -14.756 496 HA ILE 62 HA ILE 62 4.735 19.100 -12.757 497 HB ILE 62 HB ILE 62 5.086 18.299 -15.620 498 HG12 ILE 62 HG13 ILE 62 4.154 20.516 -15.347 499 HG13 ILE 62 HG12 ILE 62 2.882 19.402 -15.826 500 HG21 ILE 62 HG21 ILE 62 2.959 17.307 -13.728 501 HG22 ILE 62 HG22 ILE 62 4.253 16.341 -14.428 502 HG23 ILE 62 HG23 ILE 62 3.010 17.037 -15.469 503 HD11 ILE 62 HD11 ILE 62 2.048 20.877 -14.170 504 HD12 ILE 62 HD12 ILE 62 3.360 20.500 -13.070 505 HD13 ILE 62 HD13 ILE 62 2.156 19.264 -13.467 506 HA PRO 63 HA PRO 63 7.031 14.909 -12.944 507 HB2 PRO 63 HB3 PRO 63 9.670 14.764 -13.384 508 HB3 PRO 63 HB2 PRO 63 8.446 14.804 -14.669 509 HG2 PRO 63 HG3 PRO 63 10.241 16.971 -13.727 510 HG3 PRO 63 HG2 PRO 63 9.729 16.573 -15.375 511 HD2 PRO 63 HD3 PRO 63 8.654 18.501 -13.694 512 HD3 PRO 63 HD2 PRO 63 7.870 17.906 -15.186 513 H LYS 64 H LYS 64 8.072 17.680 -11.591 514 HA LYS 64 HA LYS 64 9.425 16.482 -9.330 515 HB2 LYS 64 HB3 LYS 64 8.362 19.292 -9.558 516 HB3 LYS 64 HB2 LYS 64 9.485 18.689 -8.359 517 HG2 LYS 64 HG3 LYS 64 11.027 18.226 -10.412 518 HG3 LYS 64 HG2 LYS 64 9.912 19.282 -11.235 519 HD2 LYS 64 HD3 LYS 64 10.226 21.072 -9.652 520 HD3 LYS 64 HD2 LYS 64 11.309 20.073 -8.688 521 HE2 LYS 64 HE3 LYS 64 12.535 21.660 -10.072 522 HE3 LYS 64 HE2 LYS 64 12.896 19.999 -10.541 523 HZ1 LYS 64 HZ1 LYS 64 12.503 21.488 -12.434 524 HZ2 LYS 64 HZ2 LYS 64 10.913 21.735 -11.877 525 HZ3 LYS 64 HZ3 LYS 64 11.418 20.204 -12.365 526 H TYR 65 H TYR 65 6.261 17.207 -10.339 527 HA TYR 65 HA TYR 65 5.275 17.125 -7.615 528 HB2 TYR 65 HB3 TYR 65 4.123 18.361 -10.095 529 HB3 TYR 65 HB2 TYR 65 3.234 18.159 -8.585 530 HD1 TYR 65 HD1 TYR 65 5.616 20.248 -10.373 531 HD2 TYR 65 HD2 TYR 65 4.148 19.152 -6.535 532 HE1 TYR 65 HE1 TYR 65 6.638 22.235 -9.433 533 HE2 TYR 65 HE2 TYR 65 5.179 21.154 -5.569 534 HH TYR 65 HH TYR 65 6.410 23.670 -7.479 535 H PHE 66 H PHE 66 3.886 16.341 -10.775 536 HA PHE 66 HA PHE 66 2.174 14.454 -9.464 537 HB2 PHE 66 HB3 PHE 66 2.389 15.256 -12.362 538 HB3 PHE 66 HB2 PHE 66 1.162 14.166 -11.718 539 HD1 PHE 66 HD1 PHE 66 2.323 17.636 -11.856 540 HD2 PHE 66 HD2 PHE 66 -0.594 14.976 -10.291 541 HE1 PHE 66 HE1 PHE 66 0.938 19.552 -11.199 542 HE2 PHE 66 HE2 PHE 66 -1.986 16.887 -9.632 543 HZ PHE 66 HZ PHE 66 -1.220 19.172 -10.077 544 H PHE 67 H PHE 67 5.167 14.254 -11.004 545 HA PHE 67 HA PHE 67 4.914 11.347 -10.909 546 HB2 PHE 67 HB3 PHE 67 6.577 12.690 -13.036 547 HB3 PHE 67 HB2 PHE 67 6.118 11.025 -12.920 548 HD1 PHE 67 HD1 PHE 67 5.019 14.297 -13.940 549 HD2 PHE 67 HD2 PHE 67 3.899 10.259 -13.439 550 HE1 PHE 67 HE1 PHE 67 3.026 14.688 -15.372 551 HE2 PHE 67 HE2 PHE 67 1.910 10.621 -14.853 552 HZ PHE 67 HZ PHE 67 1.475 12.839 -15.820 553 H ASN 68 H ASN 68 5.873 13.148 -9.015 554 HA ASN 68 HA ASN 68 8.644 13.424 -8.882 555 HB2 ASN 68 HB3 ASN 68 8.344 13.768 -6.530 556 HB3 ASN 68 HB2 ASN 68 6.996 14.526 -7.354 557 HD21 ASN 68 HD21 ASN 68 4.585 12.404 -5.990 558 HD22 ASN 68 HD22 ASN 68 4.943 13.576 -7.196 559 H ALA 69 H ALA 69 10.243 12.059 -8.266 560 HA ALA 69 HA ALA 69 9.415 9.276 -7.812 561 HB1 ALA 69 HB1 ALA 69 10.275 9.573 -10.077 562 HB2 ALA 69 HB2 ALA 69 11.341 8.549 -9.121 563 HB3 ALA 69 HB3 ALA 69 11.781 10.231 -9.435 564 H LYS 70 H LYS 70 10.040 11.370 -6.037 565 HA LYS 70 HA LYS 70 11.374 11.999 -4.180 566 HB2 LYS 70 HB3 LYS 70 10.169 10.032 -3.384 567 HB3 LYS 70 HB2 LYS 70 11.450 9.011 -4.019 568 HG2 LYS 70 HG3 LYS 70 13.027 10.120 -2.498 569 HG3 LYS 70 HG2 LYS 70 11.695 11.049 -1.820 570 HD2 LYS 70 HD3 LYS 70 10.568 8.955 -1.161 571 HD3 LYS 70 HD2 LYS 70 11.928 8.033 -1.802 572 HE2 LYS 70 HE3 LYS 70 12.123 8.231 0.597 573 HE3 LYS 70 HE2 LYS 70 13.409 9.145 -0.188 574 HZ1 LYS 70 HZ1 LYS 70 10.893 10.308 0.835 575 HZ2 LYS 70 HZ2 LYS 70 12.198 11.195 0.253 576 HZ3 LYS 70 HZ3 LYS 70 12.332 10.301 1.680 577 H VAL 71 H VAL 71 12.860 13.096 -4.769 578 HA VAL 71 HA VAL 71 14.923 13.789 -5.051 579 HB VAL 71 HB VAL 71 15.847 11.138 -3.894 580 HG11 VAL 71 HG11 VAL 71 17.570 12.438 -4.891 581 HG12 VAL 71 HG12 VAL 71 17.739 12.482 -3.113 582 HG13 VAL 71 HG13 VAL 71 17.032 13.859 -3.990 583 HG21 VAL 71 HG21 VAL 71 14.194 12.142 -2.384 584 HG22 VAL 71 HG22 VAL 71 15.091 13.659 -2.401 585 HG23 VAL 71 HG23 VAL 71 15.812 12.219 -1.687 586 H HIS 72 H HIS 72 14.417 13.617 -7.225 587 HA HIS 72 HA HIS 72 15.870 11.478 -8.571 588 HB2 HIS 72 HB3 HIS 72 14.507 11.722 -10.569 589 HB3 HIS 72 HB2 HIS 72 13.444 11.602 -9.190 590 HD1 HIS 72 HD1 HIS 72 12.470 14.152 -8.409 591 HD2 HIS 72 HD2 HIS 72 13.889 13.685 -12.289 592 HE1 HIS 72 HE1 HIS 72 11.483 16.033 -9.720 Start of MODEL 19 1 H GLY -1 H GLY -1 17.484 12.947 -4.575 2 HA2 GLY -1 HA2 GLY -1 16.326 12.993 -2.457 3 HA3 GLY -1 HA3 GLY -1 15.347 13.706 -3.726 4 H SER 0 H SER 0 15.401 11.243 -1.668 5 HA SER 0 HA SER 0 14.500 9.181 -3.472 6 HB2 SER 0 HB3 SER 0 14.790 9.273 -0.464 7 HB3 SER 0 HB2 SER 0 14.315 7.841 -1.382 8 HG SER 0 HG SER 0 16.260 7.555 -1.986 9 H MET 1 H MET 1 12.400 8.032 -2.768 10 HA MET 1 HA MET 1 10.196 8.078 -2.892 11 HB2 MET 1 HB3 MET 1 10.348 10.596 -1.187 12 HB3 MET 1 HB2 MET 1 8.861 9.750 -1.564 13 HG2 MET 1 HG3 MET 1 9.713 7.782 -0.372 14 HG3 MET 1 HG2 MET 1 11.170 8.681 0.038 15 HE1 MET 1 HE1 MET 1 10.844 8.198 2.601 16 HE2 MET 1 HE2 MET 1 9.419 7.241 2.208 17 HE3 MET 1 HE3 MET 1 9.333 8.474 3.468 18 H SER 2 H SER 2 10.692 8.397 -5.053 19 HA SER 2 HA SER 2 11.124 10.744 -6.397 20 HB2 SER 2 HB3 SER 2 9.702 8.297 -7.435 21 HB3 SER 2 HB2 SER 2 10.421 9.563 -8.431 22 HG SER 2 HG SER 2 11.642 7.579 -6.882 23 H TYR 3 H TYR 3 7.974 9.194 -6.678 24 HA TYR 3 HA TYR 3 7.022 11.886 -6.503 25 HB2 TYR 3 HB3 TYR 3 6.006 9.939 -8.558 26 HB3 TYR 3 HB2 TYR 3 5.195 11.456 -8.143 27 HD1 TYR 3 HD1 TYR 3 7.311 10.081 -10.450 28 HD2 TYR 3 HD2 TYR 3 7.011 13.508 -7.983 29 HE1 TYR 3 HE1 TYR 3 8.879 11.292 -11.936 30 HE2 TYR 3 HE2 TYR 3 8.569 14.716 -9.440 31 HH TYR 3 HH TYR 3 9.483 13.557 -12.492 32 H ASP 4 H ASP 4 6.865 11.602 -4.520 33 HA ASP 4 HA ASP 4 4.532 10.225 -3.444 34 HB2 ASP 4 HB3 ASP 4 6.556 10.288 -2.056 35 HB3 ASP 4 HB2 ASP 4 6.662 12.029 -2.226 36 H TYR 5 H TYR 5 5.340 12.838 -5.152 37 HA TYR 5 HA TYR 5 4.332 14.648 -5.957 38 HB2 TYR 5 HB3 TYR 5 1.908 13.879 -4.294 39 HB3 TYR 5 HB2 TYR 5 1.953 15.026 -5.626 40 HD1 TYR 5 HD1 TYR 5 1.461 11.628 -4.686 41 HD2 TYR 5 HD2 TYR 5 2.551 14.103 -7.970 42 HE1 TYR 5 HE1 TYR 5 0.942 9.801 -6.229 43 HE2 TYR 5 HE2 TYR 5 2.026 12.273 -9.519 44 HH TYR 5 HH TYR 5 0.267 9.611 -8.601 45 H SER 6 H SER 6 5.848 14.542 -3.451 46 HA SER 6 HA SER 6 4.832 16.195 -1.452 47 HB2 SER 6 HB3 SER 6 7.725 16.025 -2.293 48 HB3 SER 6 HB2 SER 6 7.074 16.224 -0.665 49 HG SER 6 HG SER 6 6.093 14.031 -1.046 50 H SER 7 H SER 7 6.668 16.977 -4.410 51 HA SER 7 HA SER 7 7.048 19.703 -4.024 52 HB2 SER 7 HB3 SER 7 6.612 18.220 -6.618 53 HB3 SER 7 HB2 SER 7 7.511 19.724 -6.401 54 HG SER 7 HG SER 7 8.993 18.093 -6.450 55 H LEU 8 H LEU 8 4.328 17.863 -5.192 56 HA LEU 8 HA LEU 8 2.851 20.117 -6.215 57 HB2 LEU 8 HB3 LEU 8 2.672 17.879 -7.250 58 HB3 LEU 8 HB2 LEU 8 2.121 17.248 -5.736 59 HG LEU 8 HG LEU 8 0.032 18.383 -5.870 60 HD11 LEU 8 HD11 LEU 8 1.095 19.733 -8.355 61 HD12 LEU 8 HD12 LEU 8 0.724 20.474 -6.786 62 HD13 LEU 8 HD13 LEU 8 -0.573 19.803 -7.768 63 HD21 LEU 8 HD21 LEU 8 0.222 16.306 -7.073 64 HD22 LEU 8 HD22 LEU 8 0.739 17.165 -8.531 65 HD23 LEU 8 HD23 LEU 8 -0.890 17.401 -7.887 66 H LEU 9 H LEU 9 2.575 17.839 -3.523 67 HA LEU 9 HA LEU 9 0.354 18.802 -2.415 68 HB2 LEU 9 HB3 LEU 9 2.788 17.486 -1.325 69 HB3 LEU 9 HB2 LEU 9 1.410 17.775 -0.313 70 HG LEU 9 HG LEU 9 1.501 16.035 -2.781 71 HD11 LEU 9 HD11 LEU 9 1.236 15.330 0.137 72 HD12 LEU 9 HD12 LEU 9 2.649 15.060 -0.880 73 HD13 LEU 9 HD13 LEU 9 1.145 14.195 -1.209 74 HD21 LEU 9 HD21 LEU 9 -0.783 15.351 -2.154 75 HD22 LEU 9 HD22 LEU 9 -0.702 17.055 -2.578 76 HD23 LEU 9 HD23 LEU 9 -0.792 16.572 -0.883 77 H GLY 10 H GLY 10 3.732 19.797 -1.877 78 HA2 GLY 10 HA3 GLY 10 3.308 21.651 0.185 79 HA3 GLY 10 HA2 GLY 10 4.650 21.678 -0.951 80 H LYS 11 H LYS 11 3.100 22.027 -3.348 81 HA LYS 11 HA LYS 11 2.806 24.830 -3.359 82 HB2 LYS 11 HB3 LYS 11 3.629 23.159 -5.139 83 HB3 LYS 11 HB2 LYS 11 1.931 22.808 -5.394 84 HG2 LYS 11 HG3 LYS 11 2.599 24.300 -7.006 85 HG3 LYS 11 HG2 LYS 11 1.595 25.192 -5.828 86 HD2 LYS 11 HD3 LYS 11 3.626 26.090 -4.782 87 HD3 LYS 11 HD2 LYS 11 4.624 25.173 -5.904 88 HE2 LYS 11 HE3 LYS 11 3.650 26.467 -7.765 89 HE3 LYS 11 HE2 LYS 11 2.735 27.416 -6.594 90 HZ1 LYS 11 HZ1 LYS 11 4.723 28.585 -7.190 91 HZ2 LYS 11 HZ2 LYS 11 5.686 27.251 -6.816 92 HZ3 LYS 11 HZ3 LYS 11 4.876 28.070 -5.591 93 H ILE 12 H ILE 12 0.663 22.034 -3.386 94 HA ILE 12 HA ILE 12 -1.782 23.387 -3.656 95 HB ILE 12 HB ILE 12 -1.161 20.791 -2.209 96 HG12 ILE 12 HG13 ILE 12 -2.279 21.309 -4.970 97 HG13 ILE 12 HG12 ILE 12 -0.637 20.794 -4.608 98 HG21 ILE 12 HG21 ILE 12 -3.559 20.281 -2.380 99 HG22 ILE 12 HG22 ILE 12 -3.851 21.893 -3.038 100 HG23 ILE 12 HG23 ILE 12 -3.267 21.710 -1.386 101 HD11 ILE 12 HD11 ILE 12 -1.486 18.706 -3.709 102 HD12 ILE 12 HD12 ILE 12 -2.033 18.954 -5.374 103 HD13 ILE 12 HD13 ILE 12 -3.137 19.236 -4.029 104 H THR 13 H THR 13 0.180 22.618 -0.884 105 HA THR 13 HA THR 13 -1.509 23.455 1.184 106 HB THR 13 HB THR 13 1.475 23.761 1.050 107 HG1 THR 13 HG1 THR 13 0.865 21.549 0.591 108 HG21 THR 13 HG21 THR 13 1.342 23.387 3.535 109 HG22 THR 13 HG22 THR 13 -0.425 23.418 3.386 110 HG23 THR 13 HG23 THR 13 0.515 24.849 2.994 111 H GLU 14 H GLU 14 0.583 25.201 -0.981 112 HA GLU 14 HA GLU 14 0.543 27.628 0.423 113 HB2 GLU 14 HB3 GLU 14 1.343 26.642 -2.136 114 HB3 GLU 14 HB2 GLU 14 1.484 28.406 -1.886 115 HG2 GLU 14 HG3 GLU 14 3.015 27.819 -0.018 116 HG3 GLU 14 HG2 GLU 14 2.839 26.114 -0.458 117 H LYS 15 H LYS 15 -1.305 26.288 -2.299 118 HA LYS 15 HA LYS 15 -2.447 28.883 -2.822 119 HB2 LYS 15 HB3 LYS 15 -1.782 26.575 -4.261 120 HB3 LYS 15 HB2 LYS 15 -3.511 26.850 -4.397 121 HG2 LYS 15 HG3 LYS 15 -2.376 28.046 -6.205 122 HG3 LYS 15 HG2 LYS 15 -2.941 29.234 -5.035 123 HD2 LYS 15 HD3 LYS 15 -0.646 29.024 -3.932 124 HD3 LYS 15 HD2 LYS 15 -0.165 28.164 -5.383 125 HE2 LYS 15 HE3 LYS 15 -1.287 30.954 -5.345 126 HE3 LYS 15 HE2 LYS 15 0.422 30.520 -5.431 127 HZ1 LYS 15 HZ1 LYS 15 -1.646 29.829 -7.460 128 HZ2 LYS 15 HZ2 LYS 15 0.000 29.428 -7.531 129 HZ3 LYS 15 HZ3 LYS 15 -0.481 31.043 -7.596 130 H CYS 16 H CYS 16 -3.342 25.685 -1.695 131 HA CYS 16 HA CYS 16 -6.062 26.588 -1.529 132 HB2 CYS 16 HB3 CYS 16 -4.783 23.912 -1.934 133 HB3 CYS 16 HB2 CYS 16 -6.497 24.193 -1.719 134 HG CYS 16 HG CYS 16 -6.630 25.840 -4.031 135 H GLY 17 H GLY 17 -3.435 24.703 -0.078 136 HA2 GLY 17 HA3 GLY 17 -3.245 25.048 2.395 137 HA3 GLY 17 HA2 GLY 17 -4.965 24.828 2.354 138 H THR 18 H THR 18 -5.624 22.828 1.180 139 HA THR 18 HA THR 18 -4.005 20.532 2.079 140 HB THR 18 HB THR 18 -5.980 19.563 3.176 141 HG1 THR 18 HG1 THR 18 -7.759 21.086 3.527 142 HG21 THR 18 HG21 THR 18 -5.332 22.361 4.040 143 HG22 THR 18 HG22 THR 18 -4.504 20.900 4.578 144 HG23 THR 18 HG23 THR 18 -6.181 21.208 5.077 145 H GLN 19 H GLN 19 -5.242 18.420 1.352 146 HA GLN 19 HA GLN 19 -5.637 18.529 -1.451 147 HB2 GLN 19 HB3 GLN 19 -6.400 16.356 0.513 148 HB3 GLN 19 HB2 GLN 19 -6.422 16.175 -1.227 149 HG2 GLN 19 HG3 GLN 19 -3.994 16.506 -1.286 150 HG3 GLN 19 HG2 GLN 19 -3.985 16.656 0.472 151 HE21 GLN 19 HE21 GLN 19 -4.302 13.020 -1.303 152 HE22 GLN 19 HE22 GLN 19 -4.375 14.475 -2.209 153 H TYR 20 H TYR 20 -7.675 18.718 1.316 154 HA TYR 20 HA TYR 20 -10.206 18.255 0.140 155 HB2 TYR 20 HB3 TYR 20 -9.580 18.384 2.612 156 HB3 TYR 20 HB2 TYR 20 -9.582 20.098 2.399 157 HD1 TYR 20 HD1 TYR 20 -11.427 21.177 3.234 158 HD2 TYR 20 HD2 TYR 20 -11.960 17.420 1.312 159 HE1 TYR 20 HE1 TYR 20 -13.855 21.354 3.561 160 HE2 TYR 20 HE2 TYR 20 -14.381 17.587 1.638 161 HH TYR 20 HH TYR 20 -15.952 18.691 3.035 162 H ASN 21 H ASN 21 -8.493 21.164 1.032 163 HA ASN 21 HA ASN 21 -10.272 22.988 -0.112 164 HB2 ASN 21 HB3 ASN 21 -7.310 23.255 0.303 165 HB3 ASN 21 HB2 ASN 21 -8.351 24.571 -0.174 166 HD21 ASN 21 HD21 ASN 21 -7.626 24.614 3.503 167 HD22 ASN 21 HD22 ASN 21 -6.757 24.651 2.043 168 H PHE 22 H PHE 22 -7.450 21.425 -1.442 169 HA PHE 22 HA PHE 22 -7.265 22.484 -4.019 170 HB2 PHE 22 HB3 PHE 22 -5.808 20.699 -2.967 171 HB3 PHE 22 HB2 PHE 22 -7.078 19.577 -3.300 172 HD1 PHE 22 HD1 PHE 22 -7.156 18.374 -5.262 173 HD2 PHE 22 HD2 PHE 22 -4.895 21.974 -5.140 174 HE1 PHE 22 HE1 PHE 22 -6.316 17.913 -7.522 175 HE2 PHE 22 HE2 PHE 22 -4.048 21.513 -7.411 176 HZ PHE 22 HZ PHE 22 -4.760 19.485 -8.599 177 H ALA 23 H ALA 23 -9.080 19.750 -2.906 178 HA ALA 23 HA ALA 23 -10.548 19.097 -5.147 179 HB1 ALA 23 HB1 ALA 23 -11.577 18.961 -2.307 180 HB2 ALA 23 HB2 ALA 23 -10.566 17.749 -3.078 181 HB3 ALA 23 HB3 ALA 23 -12.203 18.040 -3.675 182 H ILE 24 H ILE 24 -11.385 21.425 -2.584 183 HA ILE 24 HA ILE 24 -13.849 22.327 -3.479 184 HB ILE 24 HB ILE 24 -11.689 23.849 -2.030 185 HG12 ILE 24 HG13 ILE 24 -12.277 21.730 -0.928 186 HG13 ILE 24 HG12 ILE 24 -12.730 23.134 -0.011 187 HG21 ILE 24 HG21 ILE 24 -14.659 24.356 -2.137 188 HG22 ILE 24 HG22 ILE 24 -13.413 25.353 -2.884 189 HG23 ILE 24 HG23 ILE 24 -13.508 25.229 -1.126 190 HD11 ILE 24 HD11 ILE 24 -14.570 21.402 -1.646 191 HD12 ILE 24 HD12 ILE 24 -15.052 22.821 -0.703 192 HD13 ILE 24 HD13 ILE 24 -14.396 21.397 0.113 193 H ALA 25 H ALA 25 -10.594 23.646 -4.021 194 HA ALA 25 HA ALA 25 -11.258 25.827 -5.638 195 HB1 ALA 25 HB1 ALA 25 -8.718 24.193 -5.703 196 HB2 ALA 25 HB2 ALA 25 -9.047 25.533 -4.606 197 HB3 ALA 25 HB3 ALA 25 -8.917 25.826 -6.340 198 H MET 26 H MET 26 -10.301 22.573 -6.549 199 HA MET 26 HA MET 26 -10.542 22.830 -9.349 200 HB2 MET 26 HB3 MET 26 -10.635 20.529 -7.456 201 HB3 MET 26 HB2 MET 26 -11.141 20.292 -9.115 202 HG2 MET 26 HG3 MET 26 -8.457 21.353 -8.299 203 HG3 MET 26 HG2 MET 26 -8.806 19.661 -8.662 204 HE1 MET 26 HE1 MET 26 -6.872 20.479 -11.857 205 HE2 MET 26 HE2 MET 26 -7.211 19.298 -10.590 206 HE3 MET 26 HE3 MET 26 -6.502 20.859 -10.167 207 H GLY 27 H GLY 27 -12.863 21.896 -6.884 208 HA2 GLY 27 HA3 GLY 27 -15.177 22.007 -7.000 209 HA3 GLY 27 HA2 GLY 27 -15.066 22.331 -8.734 210 H LEU 28 H LEU 28 -13.337 19.860 -7.075 211 HA LEU 28 HA LEU 28 -14.637 17.751 -8.684 212 HB2 LEU 28 HB3 LEU 28 -12.102 18.532 -8.930 213 HB3 LEU 28 HB2 LEU 28 -11.995 17.680 -7.391 214 HG LEU 28 HG LEU 28 -12.631 15.637 -8.394 215 HD11 LEU 28 HD11 LEU 28 -12.777 17.197 -10.982 216 HD12 LEU 28 HD12 LEU 28 -14.128 16.404 -10.165 217 HD13 LEU 28 HD13 LEU 28 -12.834 15.444 -10.872 218 HD21 LEU 28 HD21 LEU 28 -10.409 17.039 -9.889 219 HD22 LEU 28 HD22 LEU 28 -10.639 15.293 -9.837 220 HD23 LEU 28 HD23 LEU 28 -10.271 16.178 -8.358 221 H SER 29 H SER 29 -14.768 15.783 -7.531 222 HA SER 29 HA SER 29 -15.743 16.190 -4.880 223 HB2 SER 29 HB3 SER 29 -16.705 14.527 -6.572 224 HB3 SER 29 HB2 SER 29 -15.250 13.574 -6.274 225 HG SER 29 HG SER 29 -17.048 14.358 -4.257 226 H GLU 30 H GLU 30 -14.940 15.298 -3.010 227 HA GLU 30 HA GLU 30 -12.205 15.543 -2.527 228 HB2 GLU 30 HB3 GLU 30 -13.857 15.726 -0.732 229 HB3 GLU 30 HB2 GLU 30 -14.281 14.033 -0.917 230 HG2 GLU 30 HG3 GLU 30 -11.910 13.479 -0.312 231 HG3 GLU 30 HG2 GLU 30 -11.697 15.178 0.100 232 H ARG 31 H ARG 31 -14.188 12.648 -2.952 233 HA ARG 31 HA ARG 31 -12.180 10.719 -2.547 234 HB2 ARG 31 HB3 ARG 31 -14.855 10.629 -2.935 235 HB3 ARG 31 HB2 ARG 31 -14.315 10.148 -4.525 236 HG2 ARG 31 HG3 ARG 31 -13.715 8.723 -1.923 237 HG3 ARG 31 HG2 ARG 31 -14.773 8.176 -3.212 238 HD2 ARG 31 HD3 ARG 31 -12.791 8.066 -4.715 239 HD3 ARG 31 HD2 ARG 31 -11.776 8.503 -3.344 240 HE ARG 31 HE ARG 31 -13.432 6.079 -3.431 241 HH11 ARG 31 HH11 ARG 31 -10.382 7.650 -2.462 242 HH12 ARG 31 HH12 ARG 31 -9.579 6.211 -2.087 243 HH21 ARG 31 HH21 ARG 31 -12.295 4.079 -2.907 244 HH22 ARG 31 HH22 ARG 31 -10.717 4.120 -2.299 245 H THR 32 H THR 32 -13.205 12.513 -5.397 246 HA THR 32 HA THR 32 -11.847 10.969 -7.345 247 HB THR 32 HB THR 32 -12.627 13.908 -7.577 248 HG1 THR 32 HG1 THR 32 -14.427 11.939 -8.316 249 HG21 THR 32 HG21 THR 32 -13.034 13.279 -9.913 250 HG22 THR 32 HG22 THR 32 -12.575 11.612 -9.565 251 HG23 THR 32 HG23 THR 32 -11.372 12.898 -9.468 252 H VAL 33 H VAL 33 -11.077 13.966 -5.603 253 HA VAL 33 HA VAL 33 -8.571 14.442 -6.657 254 HB VAL 33 HB VAL 33 -9.922 15.096 -4.043 255 HG11 VAL 33 HG11 VAL 33 -7.358 16.084 -5.230 256 HG12 VAL 33 HG12 VAL 33 -7.543 15.156 -3.706 257 HG13 VAL 33 HG13 VAL 33 -8.233 16.804 -3.867 258 HG21 VAL 33 HG21 VAL 33 -9.129 16.505 -6.413 259 HG22 VAL 33 HG22 VAL 33 -10.036 17.175 -5.008 260 HG23 VAL 33 HG23 VAL 33 -10.773 15.906 -6.074 261 H SER 34 H SER 34 -9.750 12.574 -3.971 262 HA SER 34 HA SER 34 -7.264 12.347 -3.144 263 HB2 SER 34 HB3 SER 34 -9.664 10.812 -2.229 264 HB3 SER 34 HB2 SER 34 -8.131 10.787 -1.345 265 HG SER 34 HG SER 34 -9.821 12.994 -1.892 266 H LEU 35 H LEU 35 -8.895 10.714 -5.544 267 HA LEU 35 HA LEU 35 -7.405 8.215 -5.519 268 HB2 LEU 35 HB3 LEU 35 -9.313 9.432 -7.514 269 HB3 LEU 35 HB2 LEU 35 -8.493 7.916 -7.792 270 HG LEU 35 HG LEU 35 -10.439 8.426 -5.540 271 HD11 LEU 35 HD11 LEU 35 -11.531 8.506 -7.729 272 HD12 LEU 35 HD12 LEU 35 -11.972 7.037 -6.855 273 HD13 LEU 35 HD13 LEU 35 -10.788 6.964 -8.158 274 HD21 LEU 35 HD21 LEU 35 -9.156 5.889 -6.559 275 HD22 LEU 35 HD22 LEU 35 -10.382 5.994 -5.296 276 HD23 LEU 35 HD23 LEU 35 -8.788 6.689 -5.031 277 H LYS 36 H LYS 36 -7.711 11.016 -7.711 278 HA LYS 36 HA LYS 36 -5.670 10.386 -9.416 279 HB2 LYS 36 HB3 LYS 36 -7.147 12.828 -8.732 280 HB3 LYS 36 HB2 LYS 36 -5.778 12.914 -9.830 281 HG2 LYS 36 HG3 LYS 36 -6.786 11.601 -11.413 282 HG3 LYS 36 HG2 LYS 36 -7.883 10.857 -10.241 283 HD2 LYS 36 HD3 LYS 36 -8.971 12.781 -9.935 284 HD3 LYS 36 HD2 LYS 36 -7.959 13.744 -11.036 285 HE2 LYS 36 HE3 LYS 36 -9.653 11.350 -11.839 286 HE3 LYS 36 HE2 LYS 36 -10.128 13.026 -12.089 287 HZ1 LYS 36 HZ1 LYS 36 -7.668 11.808 -13.308 288 HZ2 LYS 36 HZ2 LYS 36 -8.341 13.345 -13.596 289 HZ3 LYS 36 HZ3 LYS 36 -9.164 11.988 -14.069 290 H LEU 37 H LEU 37 -5.798 12.528 -6.614 291 HA LEU 37 HA LEU 37 -3.040 13.332 -6.906 292 HB2 LEU 37 HB3 LEU 37 -4.721 14.978 -6.539 293 HB3 LEU 37 HB2 LEU 37 -5.313 14.303 -5.083 294 HG LEU 37 HG LEU 37 -2.935 14.719 -4.247 295 HD11 LEU 37 HD11 LEU 37 -1.976 15.249 -6.289 296 HD12 LEU 37 HD12 LEU 37 -1.970 16.711 -5.263 297 HD13 LEU 37 HD13 LEU 37 -3.198 16.500 -6.544 298 HD21 LEU 37 HD21 LEU 37 -4.894 16.955 -4.715 299 HD22 LEU 37 HD22 LEU 37 -3.597 16.970 -3.522 300 HD23 LEU 37 HD23 LEU 37 -4.924 15.817 -3.373 301 H ASN 38 H ASN 38 -4.012 10.622 -6.039 302 HA ASN 38 HA ASN 38 -2.477 10.597 -3.571 303 HB2 ASN 38 HB3 ASN 38 -4.836 9.673 -3.425 304 HB3 ASN 38 HB2 ASN 38 -4.308 8.358 -4.464 305 HD21 ASN 38 HD21 ASN 38 -2.658 6.637 -1.892 306 HD22 ASN 38 HD22 ASN 38 -2.916 6.696 -3.579 307 H ASP 39 H ASP 39 -3.353 8.372 -6.178 308 HA ASP 39 HA ASP 39 -0.873 8.100 -7.460 309 HB2 ASP 39 HB3 ASP 39 0.155 6.165 -6.594 310 HB3 ASP 39 HB2 ASP 39 -0.216 7.145 -5.181 311 H LYS 40 H LYS 40 -4.221 7.396 -7.466 312 HA LYS 40 HA LYS 40 -4.018 4.734 -8.469 313 HB2 LYS 40 HB3 LYS 40 -6.415 6.502 -8.393 314 HB3 LYS 40 HB2 LYS 40 -6.284 4.781 -8.422 315 HG2 LYS 40 HG3 LYS 40 -5.450 6.394 -6.028 316 HG3 LYS 40 HG2 LYS 40 -6.998 5.565 -6.191 317 HD2 LYS 40 HD3 LYS 40 -5.822 3.432 -6.431 318 HD3 LYS 40 HD2 LYS 40 -4.277 4.264 -6.252 319 HE2 LYS 40 HE3 LYS 40 -4.922 5.000 -4.023 320 HE3 LYS 40 HE2 LYS 40 -6.478 4.192 -4.201 321 HZ1 LYS 40 HZ1 LYS 40 -5.302 2.084 -4.384 322 HZ2 LYS 40 HZ2 LYS 40 -4.930 2.864 -2.930 323 HZ3 LYS 40 HZ3 LYS 40 -3.824 2.882 -4.194 324 H VAL 41 H VAL 41 -4.759 8.029 -9.439 325 HA VAL 41 HA VAL 41 -5.019 6.935 -12.117 326 HB VAL 41 HB VAL 41 -6.669 9.253 -11.734 327 HG11 VAL 41 HG11 VAL 41 -7.176 6.483 -12.312 328 HG12 VAL 41 HG12 VAL 41 -6.682 7.673 -13.553 329 HG13 VAL 41 HG13 VAL 41 -8.303 7.772 -12.757 330 HG21 VAL 41 HG21 VAL 41 -8.451 8.286 -10.405 331 HG22 VAL 41 HG22 VAL 41 -6.971 8.439 -9.443 332 HG23 VAL 41 HG23 VAL 41 -7.455 6.862 -10.090 333 H THR 42 H THR 42 -5.121 8.888 -13.606 334 HA THR 42 HA THR 42 -2.900 10.636 -12.939 335 HB THR 42 HB THR 42 -2.948 10.949 -15.459 336 HG1 THR 42 HG1 THR 42 -4.065 9.349 -16.604 337 HG21 THR 42 HG21 THR 42 -1.306 9.478 -14.338 338 HG22 THR 42 HG22 THR 42 -1.792 8.816 -15.899 339 HG23 THR 42 HG23 THR 42 -2.457 8.147 -14.411 340 H TRP 43 H TRP 43 -3.183 12.770 -14.178 341 HA TRP 43 HA TRP 43 -5.880 13.770 -13.761 342 HB2 TRP 43 HB3 TRP 43 -3.195 15.092 -14.084 343 HB3 TRP 43 HB2 TRP 43 -4.682 16.015 -14.159 344 HD1 TRP 43 HD1 TRP 43 -5.952 16.428 -11.843 345 HE1 TRP 43 HE1 TRP 43 -5.190 16.219 -9.390 346 HE3 TRP 43 HE3 TRP 43 -1.723 13.633 -12.520 347 HZ2 TRP 43 HZ2 TRP 43 -3.083 15.028 -7.930 348 HZ3 TRP 43 HZ3 TRP 43 -0.404 13.006 -10.543 349 HH2 TRP 43 HH2 TRP 43 -1.069 13.693 -8.308 350 H LYS 44 H LYS 44 -7.030 14.561 -15.472 351 HA LYS 44 HA LYS 44 -6.198 13.814 -18.101 352 HB2 LYS 44 HB3 LYS 44 -8.502 15.512 -17.114 353 HB3 LYS 44 HB2 LYS 44 -8.268 15.022 -18.779 354 HG2 LYS 44 HG3 LYS 44 -8.709 13.150 -16.459 355 HG3 LYS 44 HG2 LYS 44 -9.949 13.664 -17.605 356 HD2 LYS 44 HD3 LYS 44 -8.617 12.668 -19.433 357 HD3 LYS 44 HD2 LYS 44 -7.449 12.098 -18.245 358 HE2 LYS 44 HE3 LYS 44 -9.167 10.737 -17.180 359 HE3 LYS 44 HE2 LYS 44 -10.365 11.353 -18.311 360 HZ1 LYS 44 HZ1 LYS 44 -9.545 9.174 -18.971 361 HZ2 LYS 44 HZ2 LYS 44 -7.965 9.784 -19.077 362 HZ3 LYS 44 HZ3 LYS 44 -9.150 10.351 -20.115 363 H ASP 45 H ASP 45 -6.037 15.455 -19.831 364 HA ASP 45 HA ASP 45 -3.991 17.255 -19.293 365 HB2 ASP 45 HB3 ASP 45 -4.375 16.393 -21.531 366 HB3 ASP 45 HB2 ASP 45 -5.944 17.176 -21.597 367 H ASP 46 H ASP 46 -7.400 17.868 -19.664 368 HA ASP 46 HA ASP 46 -7.409 20.653 -19.258 369 HB2 ASP 46 HB3 ASP 46 -9.468 18.550 -18.631 370 HB3 ASP 46 HB2 ASP 46 -9.748 20.256 -18.319 371 H GLU 47 H GLU 47 -7.211 18.021 -16.978 372 HA GLU 47 HA GLU 47 -7.917 19.665 -14.712 373 HB2 GLU 47 HB3 GLU 47 -6.704 16.895 -14.790 374 HB3 GLU 47 HB2 GLU 47 -7.362 17.682 -13.361 375 HG2 GLU 47 HG3 GLU 47 -9.567 17.697 -14.359 376 HG3 GLU 47 HG2 GLU 47 -8.936 16.979 -15.831 377 H ILE 48 H ILE 48 -5.049 18.384 -16.199 378 HA ILE 48 HA ILE 48 -3.133 19.259 -14.348 379 HB ILE 48 HB ILE 48 -2.853 19.092 -17.375 380 HG12 ILE 48 HG13 ILE 48 -2.296 16.994 -15.258 381 HG13 ILE 48 HG12 ILE 48 -3.647 16.986 -16.377 382 HG21 ILE 48 HG21 ILE 48 -0.741 19.034 -15.206 383 HG22 ILE 48 HG22 ILE 48 -1.038 20.356 -16.333 384 HG23 ILE 48 HG23 ILE 48 -0.443 18.806 -16.930 385 HD11 ILE 48 HD11 ILE 48 -0.740 16.738 -17.105 386 HD12 ILE 48 HD12 ILE 48 -2.093 16.737 -18.237 387 HD13 ILE 48 HD13 ILE 48 -1.939 15.441 -17.044 388 H LEU 49 H LEU 49 -4.481 20.851 -17.288 389 HA LEU 49 HA LEU 49 -3.155 23.218 -17.103 390 HB2 LEU 49 HB3 LEU 49 -5.805 22.412 -18.209 391 HB3 LEU 49 HB2 LEU 49 -5.074 23.959 -18.504 392 HG LEU 49 HG LEU 49 -4.033 21.270 -19.360 393 HD11 LEU 49 HD11 LEU 49 -4.411 22.108 -21.618 394 HD12 LEU 49 HD12 LEU 49 -5.112 23.584 -20.951 395 HD13 LEU 49 HD13 LEU 49 -5.902 22.027 -20.681 396 HD21 LEU 49 HD21 LEU 49 -2.139 22.685 -18.828 397 HD22 LEU 49 HD22 LEU 49 -2.823 24.004 -19.775 398 HD23 LEU 49 HD23 LEU 49 -2.284 22.531 -20.580 399 H LYS 50 H LYS 50 -6.306 22.218 -15.696 400 HA LYS 50 HA LYS 50 -6.995 24.715 -14.703 401 HB2 LYS 50 HB3 LYS 50 -7.657 21.999 -13.771 402 HB3 LYS 50 HB2 LYS 50 -8.436 23.432 -13.141 403 HG2 LYS 50 HG3 LYS 50 -8.573 22.344 -15.943 404 HG3 LYS 50 HG2 LYS 50 -9.893 22.311 -14.772 405 HD2 LYS 50 HD3 LYS 50 -10.527 24.092 -16.097 406 HD3 LYS 50 HD2 LYS 50 -9.546 24.949 -14.912 407 HE2 LYS 50 HE3 LYS 50 -7.598 24.802 -16.503 408 HE3 LYS 50 HE2 LYS 50 -8.672 24.015 -17.642 409 HZ1 LYS 50 HZ1 LYS 50 -8.365 26.392 -18.053 410 HZ2 LYS 50 HZ2 LYS 50 -9.126 26.750 -16.594 411 HZ3 LYS 50 HZ3 LYS 50 -9.971 25.959 -17.832 412 H ALA 51 H ALA 51 -5.058 22.132 -13.340 413 HA ALA 51 HA ALA 51 -4.760 23.344 -10.790 414 HB1 ALA 51 HB1 ALA 51 -2.984 21.706 -10.425 415 HB2 ALA 51 HB2 ALA 51 -2.986 21.309 -12.145 416 HB3 ALA 51 HB3 ALA 51 -4.396 20.935 -11.153 417 H VAL 52 H VAL 52 -2.700 23.248 -13.684 418 HA VAL 52 HA VAL 52 -0.528 24.779 -12.808 419 HB VAL 52 HB VAL 52 -1.788 24.717 -15.582 420 HG11 VAL 52 HG11 VAL 52 0.356 25.518 -16.447 421 HG12 VAL 52 HG12 VAL 52 0.975 25.682 -14.806 422 HG13 VAL 52 HG13 VAL 52 -0.357 26.697 -15.347 423 HG21 VAL 52 HG21 VAL 52 -1.037 22.541 -14.812 424 HG22 VAL 52 HG22 VAL 52 0.555 23.206 -14.440 425 HG23 VAL 52 HG23 VAL 52 -0.006 23.135 -16.112 426 H HIS 53 H HIS 53 -3.669 25.777 -13.877 427 HA HIS 53 HA HIS 53 -3.183 28.556 -14.182 428 HB2 HIS 53 HB3 HIS 53 -5.081 27.149 -15.110 429 HB3 HIS 53 HB2 HIS 53 -5.790 27.217 -13.524 430 HD1 HIS 53 HD1 HIS 53 -5.895 28.968 -16.672 431 HD2 HIS 53 HD2 HIS 53 -6.336 30.046 -12.683 432 HE1 HIS 53 HE1 HIS 53 -7.142 31.116 -16.697 433 H VAL 54 H VAL 54 -4.142 26.547 -11.497 434 HA VAL 54 HA VAL 54 -4.924 28.837 -9.845 435 HB VAL 54 HB VAL 54 -5.043 25.847 -9.337 436 HG11 VAL 54 HG11 VAL 54 -4.707 26.969 -7.241 437 HG12 VAL 54 HG12 VAL 54 -6.370 26.394 -7.333 438 HG13 VAL 54 HG13 VAL 54 -6.013 28.115 -7.576 439 HG21 VAL 54 HG21 VAL 54 -6.645 26.621 -10.972 440 HG22 VAL 54 HG22 VAL 54 -7.222 27.867 -9.864 441 HG23 VAL 54 HG23 VAL 54 -7.468 26.162 -9.482 442 H LEU 55 H LEU 55 -2.793 26.004 -9.627 443 HA LEU 55 HA LEU 55 -1.462 26.713 -7.358 444 HB2 LEU 55 HB3 LEU 55 -1.231 24.878 -9.651 445 HB3 LEU 55 HB2 LEU 55 0.043 24.963 -8.495 446 HG LEU 55 HG LEU 55 -1.611 23.145 -8.282 447 HD11 LEU 55 HD11 LEU 55 -0.185 23.746 -6.384 448 HD12 LEU 55 HD12 LEU 55 -1.783 23.291 -5.786 449 HD13 LEU 55 HD13 LEU 55 -1.335 24.992 -5.896 450 HD21 LEU 55 HD21 LEU 55 -3.703 24.217 -8.682 451 HD22 LEU 55 HD22 LEU 55 -3.468 25.286 -7.300 452 HD23 LEU 55 HD23 LEU 55 -3.734 23.564 -7.039 453 H GLU 56 H GLU 56 -1.081 27.540 -10.708 454 HA GLU 56 HA GLU 56 0.284 28.728 -11.902 455 HB2 GLU 56 HB3 GLU 56 1.318 29.793 -9.282 456 HB3 GLU 56 HB2 GLU 56 1.830 30.399 -10.850 457 HG2 GLU 56 HG3 GLU 56 -0.485 31.029 -11.339 458 HG3 GLU 56 HG2 GLU 56 -0.957 30.459 -9.735 459 H LEU 57 H LEU 57 1.105 27.046 -12.731 460 HA LEU 57 HA LEU 57 3.755 26.219 -11.809 461 HB2 LEU 57 HB3 LEU 57 1.659 24.716 -13.189 462 HB3 LEU 57 HB2 LEU 57 3.215 24.011 -12.825 463 HG LEU 57 HG LEU 57 1.048 24.816 -10.863 464 HD11 LEU 57 HD11 LEU 57 1.010 22.449 -10.292 465 HD12 LEU 57 HD12 LEU 57 2.216 22.130 -11.540 466 HD13 LEU 57 HD13 LEU 57 0.615 22.720 -11.988 467 HD21 LEU 57 HD21 LEU 57 2.511 23.931 -9.107 468 HD22 LEU 57 HD22 LEU 57 3.213 25.344 -9.894 469 HD23 LEU 57 HD23 LEU 57 3.806 23.729 -10.287 470 H ASN 58 H ASN 58 4.613 24.863 -13.971 471 HA ASN 58 HA ASN 58 4.266 26.591 -16.284 472 HB2 ASN 58 HB3 ASN 58 6.230 27.388 -15.022 473 HB3 ASN 58 HB2 ASN 58 6.889 25.764 -14.999 474 HD21 ASN 58 HD21 ASN 58 7.231 28.135 -18.233 475 HD22 ASN 58 HD22 ASN 58 6.183 28.498 -16.907 476 HA PRO 59 HA PRO 59 3.964 22.625 -18.385 477 HB2 PRO 59 HB3 PRO 59 5.465 23.281 -20.669 478 HB3 PRO 59 HB2 PRO 59 3.721 23.483 -20.470 479 HG2 PRO 59 HG3 PRO 59 5.918 25.472 -20.129 480 HG3 PRO 59 HG2 PRO 59 4.291 25.698 -20.799 481 HD2 PRO 59 HD3 PRO 59 4.893 26.556 -18.352 482 HD3 PRO 59 HD2 PRO 59 3.314 25.814 -18.681 483 H GLN 60 H GLN 60 7.124 24.122 -17.965 484 HA GLN 60 HA GLN 60 8.568 21.707 -18.574 485 HB2 GLN 60 HB3 GLN 60 9.346 24.375 -17.542 486 HB3 GLN 60 HB2 GLN 60 10.471 23.024 -17.531 487 HG2 GLN 60 HG3 GLN 60 10.774 24.415 -19.377 488 HG3 GLN 60 HG2 GLN 60 10.294 22.820 -19.927 489 HE21 GLN 60 HE21 GLN 60 8.051 26.102 -20.764 490 HE22 GLN 60 HE22 GLN 60 9.399 26.161 -19.690 491 H ASP 61 H ASP 61 7.229 23.262 -15.890 492 HA ASP 61 HA ASP 61 8.782 21.934 -13.824 493 HB2 ASP 61 HB3 ASP 61 7.340 24.261 -13.882 494 HB3 ASP 61 HB2 ASP 61 6.205 23.142 -13.112 495 H ILE 62 H ILE 62 6.111 21.243 -15.707 496 HA ILE 62 HA ILE 62 4.272 19.911 -14.233 497 HB ILE 62 HB ILE 62 5.106 19.366 -17.058 498 HG12 ILE 62 HG13 ILE 62 4.162 21.544 -16.642 499 HG13 ILE 62 HG12 ILE 62 3.027 20.563 -17.565 500 HG21 ILE 62 HG21 ILE 62 3.020 18.122 -17.396 501 HG22 ILE 62 HG22 ILE 62 2.680 18.218 -15.671 502 HG23 ILE 62 HG23 ILE 62 4.076 17.305 -16.242 503 HD11 ILE 62 HD11 ILE 62 1.757 20.152 -15.496 504 HD12 ILE 62 HD12 ILE 62 1.853 21.853 -15.934 505 HD13 ILE 62 HD13 ILE 62 2.855 21.235 -14.629 506 HA PRO 63 HA PRO 63 6.268 15.528 -14.727 507 HB2 PRO 63 HB3 PRO 63 8.993 15.360 -14.533 508 HB3 PRO 63 HB2 PRO 63 8.095 15.383 -16.054 509 HG2 PRO 63 HG3 PRO 63 9.594 17.565 -14.709 510 HG3 PRO 63 HG2 PRO 63 9.433 17.210 -16.435 511 HD2 PRO 63 HD3 PRO 63 8.083 19.133 -15.073 512 HD3 PRO 63 HD2 PRO 63 7.475 18.423 -16.603 513 H LYS 64 H LYS 64 7.550 18.001 -12.858 514 HA LYS 64 HA LYS 64 8.534 16.459 -10.648 515 HB2 LYS 64 HB3 LYS 64 7.660 19.330 -10.514 516 HB3 LYS 64 HB2 LYS 64 8.907 18.527 -9.576 517 HG2 LYS 64 HG3 LYS 64 10.260 18.330 -11.735 518 HG3 LYS 64 HG2 LYS 64 8.991 19.249 -12.480 519 HD2 LYS 64 HD3 LYS 64 9.297 21.112 -10.972 520 HD3 LYS 64 HD2 LYS 64 10.585 20.235 -10.147 521 HE2 LYS 64 HE3 LYS 64 11.939 20.256 -12.131 522 HE3 LYS 64 HE2 LYS 64 10.625 20.973 -13.063 523 HZ1 LYS 64 HZ1 LYS 64 12.251 22.651 -12.394 524 HZ2 LYS 64 HZ2 LYS 64 12.007 22.281 -10.774 525 HZ3 LYS 64 HZ3 LYS 64 10.742 22.928 -11.691 526 H TYR 65 H TYR 65 5.432 17.406 -11.728 527 HA TYR 65 HA TYR 65 4.258 17.043 -9.079 528 HB2 TYR 65 HB3 TYR 65 3.201 18.556 -11.457 529 HB3 TYR 65 HB2 TYR 65 2.438 18.405 -9.884 530 HD1 TYR 65 HD1 TYR 65 3.490 19.519 -7.928 531 HD2 TYR 65 HD2 TYR 65 4.913 20.169 -11.868 532 HE1 TYR 65 HE1 TYR 65 4.696 21.518 -7.172 533 HE2 TYR 65 HE2 TYR 65 6.100 22.117 -11.119 534 HH TYR 65 HH TYR 65 6.375 23.499 -9.531 535 H PHE 66 H PHE 66 3.556 16.685 -12.565 536 HA PHE 66 HA PHE 66 1.465 14.749 -11.841 537 HB2 PHE 66 HB3 PHE 66 1.769 16.368 -14.368 538 HB3 PHE 66 HB2 PHE 66 0.404 15.354 -13.939 539 HD1 PHE 66 HD1 PHE 66 1.825 18.612 -13.775 540 HD2 PHE 66 HD2 PHE 66 -0.938 16.017 -11.861 541 HE1 PHE 66 HE1 PHE 66 0.753 20.547 -12.717 542 HE2 PHE 66 HE2 PHE 66 -2.021 17.948 -10.795 543 HZ PHE 66 HZ PHE 66 -1.173 20.221 -11.224 544 H PHE 67 H PHE 67 4.406 14.064 -12.333 545 HA PHE 67 HA PHE 67 4.260 12.730 -14.909 546 HB2 PHE 67 HB3 PHE 67 6.490 13.602 -13.615 547 HB3 PHE 67 HB2 PHE 67 6.403 11.978 -13.002 548 HD1 PHE 67 HD1 PHE 67 7.198 10.198 -14.193 549 HD2 PHE 67 HD2 PHE 67 6.434 13.841 -16.189 550 HE1 PHE 67 HE1 PHE 67 8.242 9.286 -16.237 551 HE2 PHE 67 HE2 PHE 67 7.475 12.962 -18.236 552 HZ PHE 67 HZ PHE 67 8.379 10.679 -18.262 553 H ASN 68 H ASN 68 3.356 11.967 -11.675 554 HA ASN 68 HA ASN 68 2.918 10.230 -10.513 555 HB2 ASN 68 HB3 ASN 68 1.727 9.350 -13.150 556 HB3 ASN 68 HB2 ASN 68 1.474 8.795 -11.484 557 HD21 ASN 68 HD21 ASN 68 -1.335 10.846 -11.526 558 HD22 ASN 68 HD22 ASN 68 -0.758 9.236 -11.771 559 H ALA 69 H ALA 69 5.585 9.993 -11.633 560 HA ALA 69 HA ALA 69 5.735 7.164 -12.184 561 HB1 ALA 69 HB1 ALA 69 7.197 8.449 -13.518 562 HB2 ALA 69 HB2 ALA 69 8.209 7.554 -12.382 563 HB3 ALA 69 HB3 ALA 69 7.901 9.264 -12.129 564 H LYS 70 H LYS 70 4.708 6.932 -10.042 565 HA LYS 70 HA LYS 70 6.565 6.841 -7.821 566 HB2 LYS 70 HB3 LYS 70 4.756 5.551 -6.670 567 HB3 LYS 70 HB2 LYS 70 4.284 7.180 -7.102 568 HG2 LYS 70 HG3 LYS 70 3.580 4.893 -8.895 569 HG3 LYS 70 HG2 LYS 70 2.657 5.149 -7.416 570 HD2 LYS 70 HD3 LYS 70 2.073 7.392 -8.128 571 HD3 LYS 70 HD2 LYS 70 3.085 7.243 -9.559 572 HE2 LYS 70 HE3 LYS 70 0.687 5.512 -8.963 573 HE3 LYS 70 HE2 LYS 70 0.662 6.936 -9.999 574 HZ1 LYS 70 HZ1 LYS 70 2.266 5.843 -11.455 575 HZ2 LYS 70 HZ2 LYS 70 0.874 4.905 -11.300 576 HZ3 LYS 70 HZ3 LYS 70 2.270 4.474 -10.474 577 H VAL 71 H VAL 71 8.157 5.806 -7.952 578 HA VAL 71 HA VAL 71 9.609 4.180 -8.306 579 HB VAL 71 HB VAL 71 7.290 2.225 -8.070 580 HG11 VAL 71 HG11 VAL 71 9.412 1.315 -8.736 581 HG12 VAL 71 HG12 VAL 71 9.004 0.792 -7.077 582 HG13 VAL 71 HG13 VAL 71 10.166 2.115 -7.353 583 HG21 VAL 71 HG21 VAL 71 8.839 3.508 -5.803 584 HG22 VAL 71 HG22 VAL 71 7.647 2.219 -5.637 585 HG23 VAL 71 HG23 VAL 71 7.149 3.811 -6.205 586 H HIS 72 H HIS 72 8.767 5.499 -10.377 587 HA HIS 72 HA HIS 72 8.888 5.688 -12.579 588 HB2 HIS 72 HB3 HIS 72 10.782 3.999 -12.300 589 HB3 HIS 72 HB2 HIS 72 9.618 2.765 -12.761 590 HD1 HIS 72 HD1 HIS 72 11.844 5.355 -14.137 591 HD2 HIS 72 HD2 HIS 72 8.730 2.968 -15.500 592 HE1 HIS 72 HE1 HIS 72 11.951 5.479 -16.632 Start of MODEL 20 1 H GLY -1 H GLY -1 9.049 7.843 -0.332 2 HA2 GLY -1 HA2 GLY -1 9.087 9.034 1.759 3 HA3 GLY -1 HA3 GLY -1 10.493 9.412 0.764 4 H SER 0 H SER 0 10.054 11.637 1.222 5 HA SER 0 HA SER 0 7.716 12.763 -0.094 6 HB2 SER 0 HB3 SER 0 9.837 14.038 1.648 7 HB3 SER 0 HB2 SER 0 8.414 14.862 1.004 8 HG SER 0 HG SER 0 7.126 13.620 2.216 9 H MET 1 H MET 1 7.814 13.807 -1.902 10 HA MET 1 HA MET 1 8.515 14.773 -3.810 11 HB2 MET 1 HB3 MET 1 11.139 15.109 -2.338 12 HB3 MET 1 HB2 MET 1 10.967 15.579 -4.016 13 HG2 MET 1 HG3 MET 1 10.748 17.513 -2.602 14 HG3 MET 1 HG2 MET 1 9.200 17.169 -3.356 15 HE1 MET 1 HE1 MET 1 9.554 19.149 -0.863 16 HE2 MET 1 HE2 MET 1 8.129 18.688 0.068 17 HE3 MET 1 HE3 MET 1 8.036 18.807 -1.689 18 H SER 2 H SER 2 10.399 14.459 -5.592 19 HA SER 2 HA SER 2 11.185 13.086 -7.130 20 HB2 SER 2 HB3 SER 2 12.761 12.347 -5.290 21 HB3 SER 2 HB2 SER 2 11.631 11.062 -4.888 22 HG SER 2 HG SER 2 12.496 11.257 -7.527 23 H TYR 3 H TYR 3 8.929 13.299 -7.651 24 HA TYR 3 HA TYR 3 7.152 12.555 -8.746 25 HB2 TYR 3 HB3 TYR 3 8.931 10.499 -9.142 26 HB3 TYR 3 HB2 TYR 3 7.526 9.665 -8.465 27 HD1 TYR 3 HD1 TYR 3 8.383 12.232 -10.978 28 HD2 TYR 3 HD2 TYR 3 5.801 9.009 -9.936 29 HE1 TYR 3 HE1 TYR 3 7.285 12.372 -13.196 30 HE2 TYR 3 HE2 TYR 3 4.752 9.158 -12.092 31 HH TYR 3 HH TYR 3 6.003 10.878 -14.664 32 H ASP 4 H ASP 4 7.506 12.702 -5.940 33 HA ASP 4 HA ASP 4 5.122 11.272 -4.984 34 HB2 ASP 4 HB3 ASP 4 6.984 10.805 -3.552 35 HB3 ASP 4 HB2 ASP 4 7.441 12.502 -3.491 36 H TYR 5 H TYR 5 3.540 12.483 -3.838 37 HA TYR 5 HA TYR 5 3.125 14.987 -5.187 38 HB2 TYR 5 HB3 TYR 5 1.302 13.565 -3.252 39 HB3 TYR 5 HB2 TYR 5 0.885 14.953 -4.231 40 HD1 TYR 5 HD1 TYR 5 0.798 11.462 -3.970 41 HD2 TYR 5 HD2 TYR 5 1.084 14.570 -6.915 42 HE1 TYR 5 HE1 TYR 5 -0.034 9.930 -5.696 43 HE2 TYR 5 HE2 TYR 5 0.275 13.041 -8.590 44 HH TYR 5 HH TYR 5 -1.132 10.009 -7.819 45 H SER 6 H SER 6 4.852 14.488 -2.388 46 HA SER 6 HA SER 6 3.649 16.170 -0.521 47 HB2 SER 6 HB3 SER 6 5.653 14.717 -0.079 48 HB3 SER 6 HB2 SER 6 6.640 15.879 -0.956 49 HG SER 6 HG SER 6 5.025 16.631 1.212 50 H SER 7 H SER 7 5.837 17.091 -3.191 51 HA SER 7 HA SER 7 6.048 19.825 -2.664 52 HB2 SER 7 HB3 SER 7 5.876 18.460 -5.358 53 HB3 SER 7 HB2 SER 7 6.657 19.997 -5.019 54 HG SER 7 HG SER 7 8.306 18.687 -4.916 55 H LEU 8 H LEU 8 3.545 17.899 -4.026 56 HA LEU 8 HA LEU 8 2.101 20.065 -5.278 57 HB2 LEU 8 HB3 LEU 8 2.486 17.663 -6.143 58 HB3 LEU 8 HB2 LEU 8 1.326 17.154 -4.971 59 HG LEU 8 HG LEU 8 0.670 19.064 -7.224 60 HD11 LEU 8 HD11 LEU 8 0.060 16.148 -6.926 61 HD12 LEU 8 HD12 LEU 8 1.388 16.757 -7.919 62 HD13 LEU 8 HD13 LEU 8 -0.284 17.166 -8.322 63 HD21 LEU 8 HD21 LEU 8 -0.759 19.148 -5.255 64 HD22 LEU 8 HD22 LEU 8 -0.994 17.387 -5.441 65 HD23 LEU 8 HD23 LEU 8 -1.588 18.498 -6.689 66 H LEU 9 H LEU 9 1.696 17.813 -2.528 67 HA LEU 9 HA LEU 9 -0.743 18.715 -1.631 68 HB2 LEU 9 HB3 LEU 9 1.636 17.468 -0.331 69 HB3 LEU 9 HB2 LEU 9 0.130 17.654 0.499 70 HG LEU 9 HG LEU 9 0.730 15.922 -1.893 71 HD11 LEU 9 HD11 LEU 9 0.115 14.092 -0.413 72 HD12 LEU 9 HD12 LEU 9 -0.129 15.243 0.904 73 HD13 LEU 9 HD13 LEU 9 1.475 15.027 0.201 74 HD21 LEU 9 HD21 LEU 9 -1.614 15.128 -1.724 75 HD22 LEU 9 HD22 LEU 9 -1.468 16.790 -2.259 76 HD23 LEU 9 HD23 LEU 9 -1.951 16.446 -0.596 77 H GLY 10 H GLY 10 2.562 19.767 -1.008 78 HA2 GLY 10 HA3 GLY 10 2.029 21.672 0.984 79 HA3 GLY 10 HA2 GLY 10 3.407 21.689 -0.117 80 H LYS 11 H LYS 11 1.883 21.860 -2.565 81 HA LYS 11 HA LYS 11 1.471 24.642 -2.689 82 HB2 LYS 11 HB3 LYS 11 2.505 23.341 -4.476 83 HB3 LYS 11 HB2 LYS 11 1.061 22.363 -4.615 84 HG2 LYS 11 HG3 LYS 11 1.182 23.928 -6.381 85 HG3 LYS 11 HG2 LYS 11 -0.188 24.257 -5.298 86 HD2 LYS 11 HD3 LYS 11 0.877 26.378 -5.925 87 HD3 LYS 11 HD2 LYS 11 1.125 26.056 -4.218 88 HE2 LYS 11 HE3 LYS 11 3.387 25.221 -4.705 89 HE3 LYS 11 HE2 LYS 11 3.120 25.546 -6.414 90 HZ1 LYS 11 HZ1 LYS 11 3.044 27.629 -4.294 91 HZ2 LYS 11 HZ2 LYS 11 2.993 27.882 -5.959 92 HZ3 LYS 11 HZ3 LYS 11 4.391 27.300 -5.255 93 H ILE 12 H ILE 12 -0.553 21.755 -2.592 94 HA ILE 12 HA ILE 12 -3.034 22.956 -3.102 95 HB ILE 12 HB ILE 12 -2.416 20.559 -1.357 96 HG12 ILE 12 HG13 ILE 12 -3.351 20.752 -4.223 97 HG13 ILE 12 HG12 ILE 12 -1.747 20.260 -3.680 98 HG21 ILE 12 HG21 ILE 12 -5.051 21.517 -2.447 99 HG22 ILE 12 HG22 ILE 12 -4.576 21.461 -0.747 100 HG23 ILE 12 HG23 ILE 12 -4.796 19.962 -1.653 101 HD11 ILE 12 HD11 ILE 12 -4.328 18.802 -3.176 102 HD12 ILE 12 HD12 ILE 12 -2.751 18.324 -2.564 103 HD13 ILE 12 HD13 ILE 12 -3.055 18.330 -4.306 104 H THR 13 H THR 13 -1.449 22.218 -0.033 105 HA THR 13 HA THR 13 -3.381 23.373 1.616 106 HB THR 13 HB THR 13 -0.420 23.070 2.168 107 HG1 THR 13 HG1 THR 13 -1.137 21.042 1.618 108 HG21 THR 13 HG21 THR 13 -1.569 24.403 3.855 109 HG22 THR 13 HG22 THR 13 -1.235 22.797 4.530 110 HG23 THR 13 HG23 THR 13 -2.854 23.212 3.953 111 H GLU 14 H GLU 14 -0.818 24.793 -0.235 112 HA GLU 14 HA GLU 14 -0.491 27.182 1.152 113 HB2 GLU 14 HB3 GLU 14 1.084 25.978 -0.328 114 HB3 GLU 14 HB2 GLU 14 0.038 26.340 -1.650 115 HG2 GLU 14 HG3 GLU 14 0.312 28.610 -1.395 116 HG3 GLU 14 HG2 GLU 14 1.428 28.430 -0.028 117 H LYS 15 H LYS 15 -2.186 26.197 -1.826 118 HA LYS 15 HA LYS 15 -3.073 28.875 -2.304 119 HB2 LYS 15 HB3 LYS 15 -2.611 26.449 -3.700 120 HB3 LYS 15 HB2 LYS 15 -4.184 27.120 -4.057 121 HG2 LYS 15 HG3 LYS 15 -2.558 27.982 -5.663 122 HG3 LYS 15 HG2 LYS 15 -2.936 29.304 -4.553 123 HD2 LYS 15 HD3 LYS 15 -0.936 28.626 -3.209 124 HD3 LYS 15 HD2 LYS 15 -0.528 27.498 -4.498 125 HE2 LYS 15 HE3 LYS 15 0.751 29.437 -4.895 126 HE3 LYS 15 HE2 LYS 15 -0.588 29.435 -6.050 127 HZ1 LYS 15 HZ1 LYS 15 -0.547 30.982 -3.519 128 HZ2 LYS 15 HZ2 LYS 15 -1.749 31.055 -4.702 129 HZ3 LYS 15 HZ3 LYS 15 -0.200 31.623 -5.034 130 H CYS 16 H CYS 16 -4.386 25.687 -1.542 131 HA CYS 16 HA CYS 16 -7.010 26.764 -1.869 132 HB2 CYS 16 HB3 CYS 16 -5.882 23.992 -1.754 133 HB3 CYS 16 HB2 CYS 16 -7.558 24.417 -2.031 134 HG CYS 16 HG CYS 16 -5.351 23.856 -4.251 135 H GLY 17 H GLY 17 -4.815 24.938 0.226 136 HA2 GLY 17 HA3 GLY 17 -5.251 25.531 2.684 137 HA3 GLY 17 HA2 GLY 17 -6.876 25.227 2.170 138 H THR 18 H THR 18 -7.254 23.180 1.124 139 HA THR 18 HA THR 18 -5.809 20.910 2.276 140 HB THR 18 HB THR 18 -7.931 19.952 3.147 141 HG1 THR 18 HG1 THR 18 -9.551 21.843 3.424 142 HG21 THR 18 HG21 THR 18 -6.534 21.132 4.730 143 HG22 THR 18 HG22 THR 18 -8.222 21.583 5.079 144 HG23 THR 18 HG23 THR 18 -7.159 22.660 4.149 145 H GLN 19 H GLN 19 -7.095 18.818 1.489 146 HA GLN 19 HA GLN 19 -7.142 18.850 -1.346 147 HB2 GLN 19 HB3 GLN 19 -8.360 16.754 0.469 148 HB3 GLN 19 HB2 GLN 19 -7.890 16.545 -1.206 149 HG2 GLN 19 HG3 GLN 19 -5.548 16.838 -0.588 150 HG3 GLN 19 HG2 GLN 19 -6.030 17.052 1.097 151 HE21 GLN 19 HE21 GLN 19 -5.812 13.383 -0.524 152 HE22 GLN 19 HE22 GLN 19 -5.578 14.811 -1.470 153 H TYR 20 H TYR 20 -9.502 19.169 1.139 154 HA TYR 20 HA TYR 20 -11.916 18.847 -0.251 155 HB2 TYR 20 HB3 TYR 20 -11.609 19.056 2.233 156 HB3 TYR 20 HB2 TYR 20 -11.294 20.745 1.992 157 HD1 TYR 20 HD1 TYR 20 -13.930 18.277 1.147 158 HD2 TYR 20 HD2 TYR 20 -13.004 22.266 2.220 159 HE1 TYR 20 HE1 TYR 20 -16.334 18.788 1.252 160 HE2 TYR 20 HE2 TYR 20 -15.408 22.801 2.344 161 HH TYR 20 HH TYR 20 -17.464 21.976 1.443 162 H ASN 21 H ASN 21 -10.256 21.721 0.726 163 HA ASN 21 HA ASN 21 -11.676 23.637 -0.716 164 HB2 ASN 21 HB3 ASN 21 -8.804 23.564 0.114 165 HB3 ASN 21 HB2 ASN 21 -9.563 24.988 -0.545 166 HD21 ASN 21 HD21 ASN 21 -9.782 25.811 2.888 167 HD22 ASN 21 HD22 ASN 21 -8.953 26.010 1.409 168 H PHE 22 H PHE 22 -8.825 21.784 -1.599 169 HA PHE 22 HA PHE 22 -8.120 22.804 -4.109 170 HB2 PHE 22 HB3 PHE 22 -6.985 20.993 -2.724 171 HB3 PHE 22 HB2 PHE 22 -8.209 19.918 -3.296 172 HD1 PHE 22 HD1 PHE 22 -7.901 18.648 -5.193 173 HD2 PHE 22 HD2 PHE 22 -5.564 22.152 -4.663 174 HE1 PHE 22 HE1 PHE 22 -6.568 18.044 -7.161 175 HE2 PHE 22 HE2 PHE 22 -4.227 21.557 -6.641 176 HZ PHE 22 HZ PHE 22 -4.726 19.499 -7.890 177 H ALA 23 H ALA 23 -10.216 20.174 -3.234 178 HA ALA 23 HA ALA 23 -11.242 19.445 -5.660 179 HB1 ALA 23 HB1 ALA 23 -12.703 19.501 -3.023 180 HB2 ALA 23 HB2 ALA 23 -11.643 18.215 -3.584 181 HB3 ALA 23 HB3 ALA 23 -13.161 18.538 -4.427 182 H ILE 24 H ILE 24 -12.605 21.753 -3.246 183 HA ILE 24 HA ILE 24 -14.902 22.629 -4.437 184 HB ILE 24 HB ILE 24 -12.951 24.307 -2.867 185 HG12 ILE 24 HG13 ILE 24 -13.499 22.245 -1.655 186 HG13 ILE 24 HG12 ILE 24 -14.178 23.650 -0.914 187 HG21 ILE 24 HG21 ILE 24 -14.923 25.602 -2.178 188 HG22 ILE 24 HG22 ILE 24 -15.924 24.639 -3.263 189 HG23 ILE 24 HG23 ILE 24 -14.656 25.675 -3.920 190 HD11 ILE 24 HD11 ILE 24 -16.360 23.087 -1.851 191 HD12 ILE 24 HD12 ILE 24 -15.685 21.798 -0.845 192 HD13 ILE 24 HD13 ILE 24 -15.640 21.655 -2.607 193 H ALA 25 H ALA 25 -11.659 24.023 -4.708 194 HA ALA 25 HA ALA 25 -12.374 26.144 -6.421 195 HB1 ALA 25 HB1 ALA 25 -9.659 24.924 -5.971 196 HB2 ALA 25 HB2 ALA 25 -10.402 26.169 -4.971 197 HB3 ALA 25 HB3 ALA 25 -9.994 26.518 -6.649 198 H MET 26 H MET 26 -11.409 22.866 -7.030 199 HA MET 26 HA MET 26 -11.075 23.365 -9.861 200 HB2 MET 26 HB3 MET 26 -10.789 20.944 -8.150 201 HB3 MET 26 HB2 MET 26 -10.832 20.743 -9.878 202 HG2 MET 26 HG3 MET 26 -8.901 22.408 -9.956 203 HG3 MET 26 HG2 MET 26 -8.831 22.248 -8.205 204 HE1 MET 26 HE1 MET 26 -8.366 20.443 -11.671 205 HE2 MET 26 HE2 MET 26 -9.608 19.421 -10.937 206 HE3 MET 26 HE3 MET 26 -7.982 18.800 -11.178 207 H GLY 27 H GLY 27 -13.673 22.719 -7.842 208 HA2 GLY 27 HA3 GLY 27 -15.914 22.553 -8.487 209 HA3 GLY 27 HA2 GLY 27 -15.393 22.226 -10.137 210 H LEU 28 H LEU 28 -14.018 20.526 -7.504 211 HA LEU 28 HA LEU 28 -15.300 18.029 -8.391 212 HB2 LEU 28 HB3 LEU 28 -12.617 18.525 -7.117 213 HB3 LEU 28 HB2 LEU 28 -13.285 16.951 -7.473 214 HG LEU 28 HG LEU 28 -12.636 19.001 -9.595 215 HD11 LEU 28 HD11 LEU 28 -10.622 18.289 -8.396 216 HD12 LEU 28 HD12 LEU 28 -10.671 17.580 -10.017 217 HD13 LEU 28 HD13 LEU 28 -11.112 16.611 -8.604 218 HD21 LEU 28 HD21 LEU 28 -14.311 17.338 -10.203 219 HD22 LEU 28 HD22 LEU 28 -13.196 16.067 -9.668 220 HD23 LEU 28 HD23 LEU 28 -12.778 17.084 -11.058 221 H SER 29 H SER 29 -15.159 16.402 -6.537 222 HA SER 29 HA SER 29 -15.895 17.711 -4.023 223 HB2 SER 29 HB3 SER 29 -17.608 16.181 -5.128 224 HB3 SER 29 HB2 SER 29 -16.474 14.853 -4.881 225 HG SER 29 HG SER 29 -18.243 15.420 -3.273 226 H GLU 30 H GLU 30 -15.014 16.619 -2.055 227 HA GLU 30 HA GLU 30 -12.242 16.475 -2.216 228 HB2 GLU 30 HB3 GLU 30 -13.483 17.018 -0.173 229 HB3 GLU 30 HB2 GLU 30 -13.959 15.334 -0.004 230 HG2 GLU 30 HG3 GLU 30 -11.510 14.756 0.112 231 HG3 GLU 30 HG2 GLU 30 -11.176 16.479 0.181 232 H ARG 31 H ARG 31 -14.556 13.790 -2.009 233 HA ARG 31 HA ARG 31 -12.540 11.782 -1.929 234 HB2 ARG 31 HB3 ARG 31 -14.999 11.665 -1.301 235 HB3 ARG 31 HB2 ARG 31 -15.264 11.366 -2.996 236 HG2 ARG 31 HG3 ARG 31 -13.782 9.470 -3.009 237 HG3 ARG 31 HG2 ARG 31 -13.412 9.720 -1.301 238 HD2 ARG 31 HD3 ARG 31 -15.727 9.314 -0.745 239 HD3 ARG 31 HD2 ARG 31 -16.067 9.117 -2.476 240 HE ARG 31 HE ARG 31 -14.015 7.395 -1.785 241 HH11 ARG 31 HH11 ARG 31 -17.441 7.716 -1.012 242 HH12 ARG 31 HH12 ARG 31 -17.718 6.042 -0.823 243 HH21 ARG 31 HH21 ARG 31 -14.360 5.093 -1.519 244 HH22 ARG 31 HH22 ARG 31 -15.907 4.519 -1.144 245 H THR 32 H THR 32 -14.283 13.308 -4.426 246 HA THR 32 HA THR 32 -13.562 11.647 -6.635 247 HB THR 32 HB THR 32 -14.063 14.641 -6.724 248 HG1 THR 32 HG1 THR 32 -15.707 12.471 -6.245 249 HG21 THR 32 HG21 THR 32 -14.936 14.175 -8.980 250 HG22 THR 32 HG22 THR 32 -14.539 12.470 -8.781 251 HG23 THR 32 HG23 THR 32 -13.251 13.671 -8.839 252 H VAL 33 H VAL 33 -12.097 14.530 -5.223 253 HA VAL 33 HA VAL 33 -9.850 14.695 -6.806 254 HB VAL 33 HB VAL 33 -10.617 15.645 -4.056 255 HG11 VAL 33 HG11 VAL 33 -8.785 17.111 -4.283 256 HG12 VAL 33 HG12 VAL 33 -8.167 16.199 -5.695 257 HG13 VAL 33 HG13 VAL 33 -8.192 15.445 -4.055 258 HG21 VAL 33 HG21 VAL 33 -11.621 16.454 -5.991 259 HG22 VAL 33 HG22 VAL 33 -9.936 16.698 -6.584 260 HG23 VAL 33 HG23 VAL 33 -10.518 17.638 -5.181 261 H SER 34 H SER 34 -10.614 12.938 -3.901 262 HA SER 34 HA SER 34 -8.053 12.468 -3.593 263 HB2 SER 34 HB3 SER 34 -10.385 11.082 -2.304 264 HB3 SER 34 HB2 SER 34 -8.725 10.770 -1.793 265 HG SER 34 HG SER 34 -10.140 13.231 -1.754 266 H LEU 35 H LEU 35 -10.284 11.053 -5.677 267 HA LEU 35 HA LEU 35 -9.165 8.429 -6.012 268 HB2 LEU 35 HB3 LEU 35 -10.791 10.064 -7.963 269 HB3 LEU 35 HB2 LEU 35 -10.529 8.337 -8.025 270 HG LEU 35 HG LEU 35 -12.083 9.792 -5.906 271 HD11 LEU 35 HD11 LEU 35 -14.050 8.751 -6.948 272 HD12 LEU 35 HD12 LEU 35 -13.016 8.096 -8.217 273 HD13 LEU 35 HD13 LEU 35 -13.221 9.839 -8.060 274 HD21 LEU 35 HD21 LEU 35 -11.709 6.850 -6.411 275 HD22 LEU 35 HD22 LEU 35 -12.821 7.564 -5.242 276 HD23 LEU 35 HD23 LEU 35 -11.084 7.773 -5.039 277 H LYS 36 H LYS 36 -9.123 11.487 -7.813 278 HA LYS 36 HA LYS 36 -7.389 10.716 -9.828 279 HB2 LYS 36 HB3 LYS 36 -8.447 13.289 -8.863 280 HB3 LYS 36 HB2 LYS 36 -7.299 13.212 -10.185 281 HG2 LYS 36 HG3 LYS 36 -8.774 12.120 -11.581 282 HG3 LYS 36 HG2 LYS 36 -9.767 11.534 -10.239 283 HD2 LYS 36 HD3 LYS 36 -10.315 13.648 -9.694 284 HD3 LYS 36 HD2 LYS 36 -9.458 14.407 -11.047 285 HE2 LYS 36 HE3 LYS 36 -11.785 12.451 -11.254 286 HE3 LYS 36 HE2 LYS 36 -11.898 14.183 -11.547 287 HZ1 LYS 36 HZ1 LYS 36 -10.472 13.932 -13.486 288 HZ2 LYS 36 HZ2 LYS 36 -11.745 12.865 -13.593 289 HZ3 LYS 36 HZ3 LYS 36 -10.243 12.293 -13.165 290 H LEU 37 H LEU 37 -7.029 12.558 -6.874 291 HA LEU 37 HA LEU 37 -4.279 13.216 -7.381 292 HB2 LEU 37 HB3 LEU 37 -5.608 14.917 -6.573 293 HB3 LEU 37 HB2 LEU 37 -6.310 14.106 -5.250 294 HG LEU 37 HG LEU 37 -3.835 14.032 -4.487 295 HD11 LEU 37 HD11 LEU 37 -2.865 15.001 -6.370 296 HD12 LEU 37 HD12 LEU 37 -2.785 16.218 -5.067 297 HD13 LEU 37 HD13 LEU 37 -4.052 16.306 -6.319 298 HD21 LEU 37 HD21 LEU 37 -4.257 16.089 -3.200 299 HD22 LEU 37 HD22 LEU 37 -5.653 15.005 -3.231 300 HD23 LEU 37 HD23 LEU 37 -5.623 16.435 -4.259 301 H ASN 38 H ASN 38 -5.351 10.493 -6.811 302 HA ASN 38 HA ASN 38 -3.332 9.976 -4.821 303 HB2 ASN 38 HB3 ASN 38 -5.664 9.421 -4.034 304 HB3 ASN 38 HB2 ASN 38 -5.732 8.177 -5.270 305 HD21 ASN 38 HD21 ASN 38 -3.851 5.900 -3.436 306 HD22 ASN 38 HD22 ASN 38 -4.590 6.241 -4.937 307 H ASP 39 H ASP 39 -5.178 7.918 -7.031 308 HA ASP 39 HA ASP 39 -3.434 7.622 -9.126 309 HB2 ASP 39 HB3 ASP 39 -2.182 5.593 -8.829 310 HB3 ASP 39 HB2 ASP 39 -1.734 6.717 -7.557 311 H LYS 40 H LYS 40 -6.419 6.900 -7.859 312 HA LYS 40 HA LYS 40 -6.773 4.282 -8.848 313 HB2 LYS 40 HB3 LYS 40 -8.763 6.426 -8.067 314 HB3 LYS 40 HB2 LYS 40 -9.079 4.709 -8.264 315 HG2 LYS 40 HG3 LYS 40 -7.539 4.209 -6.409 316 HG3 LYS 40 HG2 LYS 40 -7.276 5.934 -6.184 317 HD2 LYS 40 HD3 LYS 40 -8.852 5.192 -4.536 318 HD3 LYS 40 HD2 LYS 40 -9.716 6.168 -5.719 319 HE2 LYS 40 HE3 LYS 40 -10.600 4.189 -6.779 320 HE3 LYS 40 HE2 LYS 40 -9.617 3.154 -5.750 321 HZ1 LYS 40 HZ1 LYS 40 -11.801 4.940 -4.797 322 HZ2 LYS 40 HZ2 LYS 40 -10.874 3.904 -3.832 323 HZ3 LYS 40 HZ3 LYS 40 -11.914 3.279 -4.988 324 H VAL 41 H VAL 41 -7.351 7.570 -9.891 325 HA VAL 41 HA VAL 41 -7.268 6.737 -12.602 326 HB VAL 41 HB VAL 41 -8.886 8.638 -13.043 327 HG11 VAL 41 HG11 VAL 41 -9.654 6.320 -13.290 328 HG12 VAL 41 HG12 VAL 41 -10.958 7.303 -12.622 329 HG13 VAL 41 HG13 VAL 41 -10.015 6.247 -11.567 330 HG21 VAL 41 HG21 VAL 41 -9.530 8.297 -10.129 331 HG22 VAL 41 HG22 VAL 41 -10.476 9.261 -11.274 332 HG23 VAL 41 HG23 VAL 41 -8.799 9.696 -10.914 333 H THR 42 H THR 42 -6.038 8.333 -13.714 334 HA THR 42 HA THR 42 -4.745 10.212 -11.880 335 HB THR 42 HB THR 42 -3.510 9.225 -14.421 336 HG1 THR 42 HG1 THR 42 -4.219 7.765 -12.267 337 HG21 THR 42 HG21 THR 42 -2.425 10.019 -11.737 338 HG22 THR 42 HG22 THR 42 -2.464 11.039 -13.184 339 HG23 THR 42 HG23 THR 42 -1.449 9.583 -13.149 340 H TRP 43 H TRP 43 -4.034 12.173 -12.922 341 HA TRP 43 HA TRP 43 -6.115 13.479 -14.265 342 HB2 TRP 43 HB3 TRP 43 -3.246 14.332 -14.008 343 HB3 TRP 43 HB2 TRP 43 -4.581 15.377 -14.437 344 HD1 TRP 43 HD1 TRP 43 -6.291 16.028 -12.399 345 HE1 TRP 43 HE1 TRP 43 -5.874 16.085 -9.858 346 HE3 TRP 43 HE3 TRP 43 -2.074 13.189 -12.230 347 HZ2 TRP 43 HZ2 TRP 43 -3.965 15.048 -8.019 348 HZ3 TRP 43 HZ3 TRP 43 -1.020 12.763 -10.078 349 HH2 TRP 43 HH2 TRP 43 -1.948 13.678 -8.012 350 H LYS 44 H LYS 44 -6.564 13.579 -16.302 351 HA LYS 44 HA LYS 44 -4.727 12.773 -18.351 352 HB2 LYS 44 HB3 LYS 44 -7.497 13.985 -18.369 353 HB3 LYS 44 HB2 LYS 44 -6.588 13.646 -19.831 354 HG2 LYS 44 HG3 LYS 44 -7.372 11.577 -17.787 355 HG3 LYS 44 HG2 LYS 44 -8.257 11.902 -19.280 356 HD2 LYS 44 HD3 LYS 44 -6.158 11.398 -20.547 357 HD3 LYS 44 HD2 LYS 44 -5.415 10.929 -19.021 358 HE2 LYS 44 HE3 LYS 44 -7.050 9.167 -18.732 359 HE3 LYS 44 HE2 LYS 44 -7.877 9.676 -20.204 360 HZ1 LYS 44 HZ1 LYS 44 -6.433 7.772 -20.584 361 HZ2 LYS 44 HZ2 LYS 44 -5.091 8.656 -20.079 362 HZ3 LYS 44 HZ3 LYS 44 -5.905 9.102 -21.473 363 H ASP 45 H ASP 45 -4.526 14.521 -20.218 364 HA ASP 45 HA ASP 45 -2.946 16.557 -19.113 365 HB2 ASP 45 HB3 ASP 45 -2.578 15.635 -21.372 366 HB3 ASP 45 HB2 ASP 45 -4.084 16.371 -21.906 367 H ASP 46 H ASP 46 -6.209 16.596 -20.307 368 HA ASP 46 HA ASP 46 -6.759 19.382 -20.089 369 HB2 ASP 46 HB3 ASP 46 -8.653 17.062 -19.659 370 HB3 ASP 46 HB2 ASP 46 -9.142 18.732 -19.875 371 H GLU 47 H GLU 47 -6.735 16.792 -17.792 372 HA GLU 47 HA GLU 47 -8.175 18.140 -15.708 373 HB2 GLU 47 HB3 GLU 47 -6.338 15.747 -15.565 374 HB3 GLU 47 HB2 GLU 47 -7.462 16.257 -14.311 375 HG2 GLU 47 HG3 GLU 47 -8.291 15.433 -17.077 376 HG3 GLU 47 HG2 GLU 47 -8.211 14.324 -15.710 377 H ILE 48 H ILE 48 -4.825 17.558 -16.536 378 HA ILE 48 HA ILE 48 -3.633 18.707 -14.266 379 HB ILE 48 HB ILE 48 -2.546 18.628 -17.108 380 HG12 ILE 48 HG13 ILE 48 -2.169 16.662 -14.830 381 HG13 ILE 48 HG12 ILE 48 -3.177 16.400 -16.242 382 HG21 ILE 48 HG21 ILE 48 -1.114 18.948 -14.464 383 HG22 ILE 48 HG22 ILE 48 -1.322 20.200 -15.691 384 HG23 ILE 48 HG23 ILE 48 -0.332 18.784 -16.036 385 HD11 ILE 48 HD11 ILE 48 -1.191 16.467 -17.667 386 HD12 ILE 48 HD12 ILE 48 -1.088 15.218 -16.422 387 HD13 ILE 48 HD13 ILE 48 -0.187 16.722 -16.233 388 H LEU 49 H LEU 49 -4.624 20.094 -17.442 389 HA LEU 49 HA LEU 49 -3.752 22.643 -17.107 390 HB2 LEU 49 HB3 LEU 49 -6.065 21.442 -18.559 391 HB3 LEU 49 HB2 LEU 49 -5.537 23.083 -18.764 392 HG LEU 49 HG LEU 49 -4.003 20.600 -19.418 393 HD11 LEU 49 HD11 LEU 49 -5.207 22.736 -21.181 394 HD12 LEU 49 HD12 LEU 49 -5.793 21.085 -20.995 395 HD13 LEU 49 HD13 LEU 49 -4.226 21.388 -21.746 396 HD21 LEU 49 HD21 LEU 49 -2.453 22.314 -18.660 397 HD22 LEU 49 HD22 LEU 49 -3.190 23.492 -19.746 398 HD23 LEU 49 HD23 LEU 49 -2.310 22.119 -20.405 399 H LYS 50 H LYS 50 -6.679 21.035 -15.901 400 HA LYS 50 HA LYS 50 -8.128 23.302 -15.200 401 HB2 LYS 50 HB3 LYS 50 -7.960 20.673 -13.868 402 HB3 LYS 50 HB2 LYS 50 -9.235 21.830 -13.592 403 HG2 LYS 50 HG3 LYS 50 -8.673 20.399 -16.174 404 HG3 LYS 50 HG2 LYS 50 -9.921 19.899 -15.030 405 HD2 LYS 50 HD3 LYS 50 -11.171 21.054 -16.602 406 HD3 LYS 50 HD2 LYS 50 -10.790 22.368 -15.500 407 HE2 LYS 50 HE3 LYS 50 -8.966 23.092 -16.954 408 HE3 LYS 50 HE2 LYS 50 -9.233 21.702 -17.998 409 HZ1 LYS 50 HZ1 LYS 50 -11.178 23.915 -17.560 410 HZ2 LYS 50 HZ2 LYS 50 -11.410 22.569 -18.546 411 HZ3 LYS 50 HZ3 LYS 50 -10.214 23.668 -18.924 412 H ALA 51 H ALA 51 -5.767 21.349 -13.448 413 HA ALA 51 HA ALA 51 -5.918 22.827 -11.031 414 HB1 ALA 51 HB1 ALA 51 -3.726 20.984 -11.984 415 HB2 ALA 51 HB2 ALA 51 -5.170 20.485 -11.101 416 HB3 ALA 51 HB3 ALA 51 -3.978 21.528 -10.327 417 H VAL 52 H VAL 52 -3.655 22.880 -13.755 418 HA VAL 52 HA VAL 52 -1.723 24.717 -12.829 419 HB VAL 52 HB VAL 52 -2.790 24.456 -15.666 420 HG11 VAL 52 HG11 VAL 52 -0.598 25.286 -16.382 421 HG12 VAL 52 HG12 VAL 52 -0.150 25.548 -14.697 422 HG13 VAL 52 HG13 VAL 52 -1.469 26.472 -15.411 423 HG21 VAL 52 HG21 VAL 52 -2.057 22.318 -14.864 424 HG22 VAL 52 HG22 VAL 52 -0.558 23.017 -14.272 425 HG23 VAL 52 HG23 VAL 52 -0.866 22.939 -16.010 426 H HIS 53 H HIS 53 -4.895 25.236 -14.088 427 HA HIS 53 HA HIS 53 -4.686 28.046 -14.594 428 HB2 HIS 53 HB3 HIS 53 -6.231 26.354 -15.643 429 HB3 HIS 53 HB2 HIS 53 -7.148 26.387 -14.168 430 HD1 HIS 53 HD1 HIS 53 -9.230 27.657 -14.572 431 HD2 HIS 53 HD2 HIS 53 -5.963 29.456 -16.398 432 HE1 HIS 53 HE1 HIS 53 -10.139 29.674 -15.753 433 H VAL 54 H VAL 54 -5.646 26.053 -11.916 434 HA VAL 54 HA VAL 54 -6.987 28.265 -10.542 435 HB VAL 54 HB VAL 54 -6.793 25.318 -9.860 436 HG11 VAL 54 HG11 VAL 54 -6.943 26.592 -7.830 437 HG12 VAL 54 HG12 VAL 54 -8.460 25.751 -8.124 438 HG13 VAL 54 HG13 VAL 54 -8.337 27.491 -8.440 439 HG21 VAL 54 HG21 VAL 54 -9.112 26.970 -10.864 440 HG22 VAL 54 HG22 VAL 54 -9.186 25.271 -10.392 441 HG23 VAL 54 HG23 VAL 54 -8.210 25.757 -11.777 442 H LEU 55 H LEU 55 -4.544 25.756 -9.808 443 HA LEU 55 HA LEU 55 -3.638 26.836 -7.449 444 HB2 LEU 55 HB3 LEU 55 -2.913 24.812 -9.471 445 HB3 LEU 55 HB2 LEU 55 -1.807 25.180 -8.214 446 HG LEU 55 HG LEU 55 -3.267 23.203 -7.996 447 HD11 LEU 55 HD11 LEU 55 -3.700 23.546 -5.521 448 HD12 LEU 55 HD12 LEU 55 -3.388 25.266 -5.760 449 HD13 LEU 55 HD13 LEU 55 -2.104 24.086 -6.030 450 HD21 LEU 55 HD21 LEU 55 -5.431 25.192 -7.367 451 HD22 LEU 55 HD22 LEU 55 -5.541 23.468 -7.018 452 HD23 LEU 55 HD23 LEU 55 -5.397 24.021 -8.686 453 H GLU 56 H GLU 56 -3.060 27.507 -10.733 454 HA GLU 56 HA GLU 56 -1.739 28.816 -11.916 455 HB2 GLU 56 HB3 GLU 56 -1.106 30.185 -9.283 456 HB3 GLU 56 HB2 GLU 56 -0.893 30.881 -10.893 457 HG2 GLU 56 HG3 GLU 56 -3.280 30.708 -11.300 458 HG3 GLU 56 HG2 GLU 56 -3.519 30.000 -9.715 459 H LEU 57 H LEU 57 -0.480 27.263 -12.590 460 HA LEU 57 HA LEU 57 2.098 26.848 -11.232 461 HB2 LEU 57 HB3 LEU 57 0.492 24.959 -12.766 462 HB3 LEU 57 HB2 LEU 57 2.011 24.544 -12.039 463 HG LEU 57 HG LEU 57 -0.539 25.222 -10.538 464 HD11 LEU 57 HD11 LEU 57 0.944 22.624 -10.827 465 HD12 LEU 57 HD12 LEU 57 -0.610 23.028 -11.561 466 HD13 LEU 57 HD13 LEU 57 -0.467 22.907 -9.807 467 HD21 LEU 57 HD21 LEU 57 1.442 25.995 -9.316 468 HD22 LEU 57 HD22 LEU 57 2.158 24.388 -9.458 469 HD23 LEU 57 HD23 LEU 57 0.689 24.618 -8.514 470 H ASN 58 H ASN 58 3.655 25.800 -12.777 471 HA ASN 58 HA ASN 58 3.576 27.331 -15.301 472 HB2 ASN 58 HB3 ASN 58 5.347 27.986 -13.735 473 HB3 ASN 58 HB2 ASN 58 5.927 26.334 -13.675 474 HD21 ASN 58 HD21 ASN 58 6.903 28.765 -16.767 475 HD22 ASN 58 HD22 ASN 58 5.699 29.201 -15.619 476 HA PRO 59 HA PRO 59 3.328 23.483 -17.482 477 HB2 PRO 59 HB3 PRO 59 4.821 24.137 -19.726 478 HB3 PRO 59 HB2 PRO 59 3.112 24.513 -19.496 479 HG2 PRO 59 HG3 PRO 59 5.508 26.246 -19.080 480 HG3 PRO 59 HG2 PRO 59 3.924 26.656 -19.763 481 HD2 PRO 59 HD3 PRO 59 4.589 27.337 -17.267 482 HD3 PRO 59 HD2 PRO 59 2.936 26.840 -17.669 483 H GLN 60 H GLN 60 6.493 24.845 -16.795 484 HA GLN 60 HA GLN 60 7.771 22.339 -17.601 485 HB2 GLN 60 HB3 GLN 60 9.006 24.893 -16.557 486 HB3 GLN 60 HB2 GLN 60 9.903 23.485 -17.103 487 HG2 GLN 60 HG3 GLN 60 8.088 25.195 -18.783 488 HG3 GLN 60 HG2 GLN 60 9.851 25.206 -18.811 489 HE21 GLN 60 HE21 GLN 60 10.157 22.377 -20.814 490 HE22 GLN 60 HE22 GLN 60 10.923 23.527 -19.787 491 H ASP 61 H ASP 61 6.349 23.620 -14.907 492 HA ASP 61 HA ASP 61 8.153 22.251 -13.045 493 HB2 ASP 61 HB3 ASP 61 6.967 24.696 -12.916 494 HB3 ASP 61 HB2 ASP 61 5.799 23.685 -12.056 495 H ILE 62 H ILE 62 5.463 21.767 -14.836 496 HA ILE 62 HA ILE 62 3.592 20.467 -13.273 497 HB ILE 62 HB ILE 62 4.221 20.078 -16.183 498 HG12 ILE 62 HG13 ILE 62 3.552 22.317 -15.688 499 HG13 ILE 62 HG12 ILE 62 2.206 21.481 -16.458 500 HG21 ILE 62 HG21 ILE 62 3.027 18.109 -15.393 501 HG22 ILE 62 HG22 ILE 62 1.995 19.094 -16.429 502 HG23 ILE 62 HG23 ILE 62 1.783 19.134 -14.677 503 HD11 ILE 62 HD11 ILE 62 1.441 22.894 -14.673 504 HD12 ILE 62 HD12 ILE 62 2.484 22.080 -13.521 505 HD13 ILE 62 HD13 ILE 62 1.142 21.202 -14.269 506 HA PRO 63 HA PRO 63 5.416 16.130 -14.290 507 HB2 PRO 63 HB3 PRO 63 8.025 15.788 -14.851 508 HB3 PRO 63 HB2 PRO 63 6.810 16.243 -16.063 509 HG2 PRO 63 HG3 PRO 63 8.754 18.001 -14.633 510 HG3 PRO 63 HG2 PRO 63 8.368 17.945 -16.360 511 HD2 PRO 63 HD3 PRO 63 7.314 19.717 -14.596 512 HD3 PRO 63 HD2 PRO 63 6.461 19.223 -16.091 513 H LYS 64 H LYS 64 6.698 18.399 -12.442 514 HA LYS 64 HA LYS 64 8.117 16.727 -10.518 515 HB2 LYS 64 HB3 LYS 64 7.275 19.601 -10.147 516 HB3 LYS 64 HB2 LYS 64 8.569 18.743 -9.332 517 HG2 LYS 64 HG3 LYS 64 9.772 18.636 -11.573 518 HG3 LYS 64 HG2 LYS 64 8.477 19.619 -12.194 519 HD2 LYS 64 HD3 LYS 64 8.939 21.411 -10.659 520 HD3 LYS 64 HD2 LYS 64 10.200 20.458 -9.879 521 HE2 LYS 64 HE3 LYS 64 11.513 20.477 -11.916 522 HE3 LYS 64 HE2 LYS 64 10.222 21.327 -12.764 523 HZ1 LYS 64 HZ1 LYS 64 11.765 22.389 -10.459 524 HZ2 LYS 64 HZ2 LYS 64 10.500 23.174 -11.250 525 HZ3 LYS 64 HZ3 LYS 64 11.942 22.858 -12.074 526 H TYR 65 H TYR 65 4.946 18.016 -11.119 527 HA TYR 65 HA TYR 65 4.032 17.340 -8.430 528 HB2 TYR 65 HB3 TYR 65 2.808 19.129 -10.534 529 HB3 TYR 65 HB2 TYR 65 2.069 18.657 -9.012 530 HD1 TYR 65 HD1 TYR 65 4.571 20.828 -10.605 531 HD2 TYR 65 HD2 TYR 65 2.811 19.599 -6.956 532 HE1 TYR 65 HE1 TYR 65 5.485 22.819 -9.500 533 HE2 TYR 65 HE2 TYR 65 3.727 21.589 -5.836 534 HH TYR 65 HH TYR 65 5.526 23.157 -6.121 535 H PHE 66 H PHE 66 2.741 17.355 -11.811 536 HA PHE 66 HA PHE 66 1.074 15.067 -11.064 537 HB2 PHE 66 HB3 PHE 66 0.314 17.237 -13.049 538 HB3 PHE 66 HB2 PHE 66 -0.689 15.934 -12.476 539 HD1 PHE 66 HD1 PHE 66 0.800 19.193 -11.639 540 HD2 PHE 66 HD2 PHE 66 -2.008 16.210 -10.521 541 HE1 PHE 66 HE1 PHE 66 -0.257 20.774 -10.084 542 HE2 PHE 66 HE2 PHE 66 -3.064 17.782 -8.956 543 HZ PHE 66 HZ PHE 66 -2.190 20.070 -8.737 544 H PHE 67 H PHE 67 2.338 13.569 -12.342 545 HA PHE 67 HA PHE 67 2.051 14.211 -15.191 546 HB2 PHE 67 HB3 PHE 67 4.515 14.337 -14.313 547 HB3 PHE 67 HB2 PHE 67 4.435 12.589 -14.349 548 HD1 PHE 67 HD1 PHE 67 4.566 15.610 -16.343 549 HD2 PHE 67 HD2 PHE 67 4.211 11.375 -16.471 550 HE1 PHE 67 HE1 PHE 67 5.086 15.649 -18.738 551 HE2 PHE 67 HE2 PHE 67 4.731 11.406 -18.874 552 HZ PHE 67 HZ PHE 67 5.173 13.550 -20.007 553 H ASN 68 H ASN 68 3.452 11.038 -14.002 554 HA ASN 68 HA ASN 68 0.885 9.934 -14.204 555 HB2 ASN 68 HB3 ASN 68 1.594 9.580 -16.432 556 HB3 ASN 68 HB2 ASN 68 3.276 9.413 -15.964 557 HD21 ASN 68 HD21 ASN 68 3.181 6.087 -15.360 558 HD22 ASN 68 HD22 ASN 68 4.012 7.566 -15.362 559 H ALA 69 H ALA 69 1.135 9.910 -11.950 560 HA ALA 69 HA ALA 69 3.333 8.314 -10.862 561 HB1 ALA 69 HB1 ALA 69 1.337 10.120 -9.490 562 HB2 ALA 69 HB2 ALA 69 2.999 10.543 -9.900 563 HB3 ALA 69 HB3 ALA 69 2.678 9.289 -8.703 564 H LYS 70 H LYS 70 1.286 7.112 -12.298 565 HA LYS 70 HA LYS 70 -0.480 5.930 -10.322 566 HB2 LYS 70 HB3 LYS 70 -1.704 4.988 -12.136 567 HB3 LYS 70 HB2 LYS 70 -1.500 6.705 -12.454 568 HG2 LYS 70 HG3 LYS 70 0.086 6.274 -14.173 569 HG3 LYS 70 HG2 LYS 70 0.272 4.593 -13.675 570 HD2 LYS 70 HD3 LYS 70 -1.057 4.595 -15.665 571 HD3 LYS 70 HD2 LYS 70 -2.135 4.225 -14.328 572 HE2 LYS 70 HE3 LYS 70 -3.294 5.746 -15.724 573 HE3 LYS 70 HE2 LYS 70 -2.758 6.686 -14.335 574 HZ1 LYS 70 HZ1 LYS 70 -0.846 7.444 -15.747 575 HZ2 LYS 70 HZ2 LYS 70 -2.339 7.930 -16.315 576 HZ3 LYS 70 HZ3 LYS 70 -1.549 6.647 -17.050 577 H VAL 71 H VAL 71 -0.574 3.746 -9.975 578 HA VAL 71 HA VAL 71 0.150 1.857 -9.497 579 HB VAL 71 HB VAL 71 -1.079 1.367 -11.513 580 HG11 VAL 71 HG11 VAL 71 0.088 2.577 -13.167 581 HG12 VAL 71 HG12 VAL 71 0.023 0.874 -13.649 582 HG13 VAL 71 HG13 VAL 71 1.512 1.555 -12.981 583 HG21 VAL 71 HG21 VAL 71 -0.185 -0.522 -10.291 584 HG22 VAL 71 HG22 VAL 71 1.321 -0.422 -11.199 585 HG23 VAL 71 HG23 VAL 71 -0.177 -0.864 -12.022 586 H HIS 72 H HIS 72 1.904 2.833 -8.416 587 HA HIS 72 HA HIS 72 3.927 1.114 -9.215 588 HB2 HIS 72 HB3 HIS 72 5.840 2.659 -8.499 589 HB3 HIS 72 HB2 HIS 72 5.008 3.083 -9.976 590 HD1 HIS 72 HD1 HIS 72 4.066 5.403 -10.108 591 HD2 HIS 72 HD2 HIS 72 5.338 4.449 -6.274 592 HE1 HIS 72 HE1 HIS 72 4.090 7.562 -8.848
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