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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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655529 |
7aty ![]() ![]() |
34570 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -4.346 -13.563 8.885 2 H2 GLY 1 HT2 GLY 1 -6.034 -13.565 8.818 3 H3 GLY 1 HT3 GLY 1 -5.242 -12.798 10.097 4 HA2 GLY 1 HA1 GLY 1 -6.056 -11.167 8.539 5 HA3 GLY 1 HA2 GLY 1 -4.300 -11.173 8.598 6 H SER 2 HN SER 2 -6.844 -12.991 6.907 7 HA SER 2 HA SER 2 -5.393 -12.518 4.393 8 HB2 SER 2 HB2 SER 2 -6.764 -15.090 5.233 9 HB3 SER 2 HB1 SER 2 -5.938 -14.808 3.701 10 HG SER 2 HG SER 2 -4.000 -14.785 4.714 11 H HIS 3 HN HIS 3 -7.028 -13.352 2.530 12 HA HIS 3 HA HIS 3 -8.895 -12.847 1.338 13 HB2 HIS 3 HB2 HIS 3 -10.325 -13.069 3.995 14 HB3 HIS 3 HB1 HIS 3 -11.056 -13.197 2.402 15 HD2 HIS 3 HD2 HIS 3 -9.367 -15.434 0.973 16 HE1 HIS 3 HE1 HIS 3 -9.896 -17.686 4.516 17 HE2 HIS 3 HE2 HIS 3 -9.420 -17.806 2.031 18 H MET 4 HN MET 4 -7.662 -10.688 1.416 19 HA MET 4 HA MET 4 -7.741 -8.426 1.307 20 HB2 MET 4 HB2 MET 4 -10.630 -8.778 2.114 21 HB3 MET 4 HB1 MET 4 -9.907 -7.234 1.697 22 HG2 MET 4 HG2 MET 4 -9.361 -8.155 -0.538 23 HG3 MET 4 HG1 MET 4 -10.243 -9.617 -0.101 24 HE1 MET 4 HE1 MET 4 -12.854 -9.673 0.401 25 HE2 MET 4 HE2 MET 4 -13.895 -8.251 0.345 26 HE3 MET 4 HE3 MET 4 -12.672 -8.399 1.606 27 H LEU 5 HN LEU 5 -6.783 -7.088 2.664 28 HA LEU 5 HA LEU 5 -7.742 -6.805 5.379 29 HB2 LEU 5 HB2 LEU 5 -5.532 -7.209 6.393 30 HB3 LEU 5 HB1 LEU 5 -6.228 -8.656 5.691 31 HG LEU 5 HG LEU 5 -4.262 -7.050 4.104 32 HD11 LEU 5 HD11 LEU 5 -3.200 -7.357 6.271 33 HD12 LEU 5 HD12 LEU 5 -2.441 -8.378 5.050 34 HD13 LEU 5 HD13 LEU 5 -3.561 -9.083 6.216 35 HD21 LEU 5 HD21 LEU 5 -3.731 -9.252 3.171 36 HD22 LEU 5 HD22 LEU 5 -5.448 -8.882 3.007 37 HD23 LEU 5 HD23 LEU 5 -4.903 -9.995 4.261 38 H GLN 6 HN GLN 6 -7.226 -4.851 6.272 39 HA GLN 6 HA GLN 6 -5.762 -3.013 4.517 40 HB2 GLN 6 HB2 GLN 6 -8.091 -2.420 5.132 41 HB3 GLN 6 HB1 GLN 6 -7.616 -2.402 6.825 42 HG2 GLN 6 HG2 GLN 6 -6.305 -0.493 6.557 43 HG3 GLN 6 HG1 GLN 6 -6.264 -0.663 4.803 44 HE21 GLN 6 HE21 GLN 6 -8.178 0.329 7.537 45 HE22 GLN 6 HE22 GLN 6 -9.368 1.197 6.636 46 H VAL 7 HN VAL 7 -3.903 -2.086 5.165 47 HA VAL 7 HA VAL 7 -2.948 -2.819 7.851 48 HB VAL 7 HB VAL 7 -0.672 -2.993 6.951 49 HG11 VAL 7 HG11 VAL 7 -1.929 -5.034 7.095 50 HG12 VAL 7 HG12 VAL 7 -0.979 -5.065 5.611 51 HG13 VAL 7 HG13 VAL 7 -2.708 -4.720 5.546 52 HG21 VAL 7 HG21 VAL 7 -0.267 -3.023 4.545 53 HG22 VAL 7 HG22 VAL 7 -0.885 -1.457 5.069 54 HG23 VAL 7 HG23 VAL 7 -1.952 -2.598 4.249 55 H ARG 8 HN ARG 8 -1.750 -1.364 8.973 56 HA ARG 8 HA ARG 8 -1.673 1.388 7.929 57 HB2 ARG 8 HB2 ARG 8 -1.438 0.337 10.763 58 HB3 ARG 8 HB1 ARG 8 -1.321 2.029 10.308 59 HG2 ARG 8 HG2 ARG 8 -3.620 1.997 9.524 60 HG3 ARG 8 HG1 ARG 8 -3.744 0.281 9.920 61 HD2 ARG 8 HD2 ARG 8 -3.316 0.809 12.273 62 HD3 ARG 8 HD1 ARG 8 -3.216 2.521 11.871 63 HE ARG 8 HE ARG 8 -5.649 1.903 10.958 64 HH11 ARG 8 HH11 ARG 8 -4.082 1.188 13.998 65 HH12 ARG 8 HH12 ARG 8 -5.559 1.166 14.906 66 HH21 ARG 8 HH21 ARG 8 -7.603 1.870 12.137 67 HH22 ARG 8 HH22 ARG 8 -7.569 1.565 13.846 68 H ALA 9 HN ALA 9 0.252 1.957 7.110 69 HA ALA 9 HA ALA 9 2.633 0.599 8.183 70 HB1 ALA 9 HB1 ALA 9 2.096 -0.089 5.893 71 HB2 ALA 9 HB2 ALA 9 3.639 0.759 5.984 72 HB3 ALA 9 HB3 ALA 9 2.209 1.591 5.372 73 H THR 10 HN THR 10 4.203 1.826 8.991 74 HA THR 10 HA THR 10 4.148 4.695 8.349 75 HB THR 10 HB THR 10 5.630 4.839 10.467 76 HG1 THR 10 HG1 THR 10 4.281 2.452 11.177 77 HG21 THR 10 HG21 THR 10 3.642 4.880 11.936 78 HG22 THR 10 HG22 THR 10 2.710 4.088 10.664 79 HG23 THR 10 HG23 THR 10 3.363 5.707 10.405 80 H LYS 11 HN LYS 11 5.385 4.747 6.560 81 HA LYS 11 HA LYS 11 8.194 4.773 6.898 82 HB2 LYS 11 HB2 LYS 11 7.594 2.278 6.508 83 HB3 LYS 11 HB1 LYS 11 7.233 2.766 4.858 84 HG2 LYS 11 HG2 LYS 11 9.519 3.562 4.583 85 HG3 LYS 11 HG1 LYS 11 9.887 3.096 6.246 86 HD2 LYS 11 HD2 LYS 11 9.153 0.750 5.565 87 HD3 LYS 11 HD1 LYS 11 9.245 1.333 3.902 88 HE2 LYS 11 HE2 LYS 11 11.494 1.311 5.912 89 HE3 LYS 11 HE1 LYS 11 11.309 0.208 4.553 90 HZ1 LYS 11 HZ1 LYS 11 12.878 1.938 4.029 91 HZ2 LYS 11 HZ2 LYS 11 11.747 3.141 4.380 92 HZ3 LYS 11 HZ3 LYS 11 11.510 2.115 3.056 93 H ASP 12 HN ASP 12 9.219 5.667 4.929 94 HA ASP 12 HA ASP 12 7.257 6.952 3.166 95 HB2 ASP 12 HB2 ASP 12 10.132 7.579 3.813 96 HB3 ASP 12 HB1 ASP 12 9.343 8.265 2.398 97 H TYR 13 HN TYR 13 6.759 5.386 1.718 98 HA TYR 13 HA TYR 13 8.991 4.079 0.310 99 HB2 TYR 13 HB2 TYR 13 7.512 2.597 1.687 100 HB3 TYR 13 HB1 TYR 13 6.171 3.043 0.641 101 HD1 TYR 13 HD1 TYR 13 9.598 1.594 0.472 102 HD2 TYR 13 HD2 TYR 13 5.696 1.713 -1.199 103 HE1 TYR 13 HE1 TYR 13 10.198 -0.250 -1.043 104 HE2 TYR 13 HE2 TYR 13 6.279 -0.129 -2.714 105 HH TYR 13 HH TYR 13 9.052 -2.028 -2.323 106 H CYS 14 HN CYS 14 9.277 5.368 -1.422 107 HA CYS 14 HA CYS 14 7.460 5.154 -3.589 108 HB2 CYS 14 HB2 CYS 14 6.328 6.957 -2.302 109 HB3 CYS 14 HB1 CYS 14 7.796 7.923 -2.403 110 HG CYS 14 HG CYS 14 5.302 7.903 -4.438 111 H ASN 15 HN ASN 15 9.049 4.590 -4.978 112 HA ASN 15 HA ASN 15 11.323 6.435 -5.264 113 HB2 ASN 15 HB2 ASN 15 11.483 3.421 -5.418 114 HB3 ASN 15 HB1 ASN 15 12.817 4.539 -5.657 115 HD21 ASN 15 HD21 ASN 15 10.713 3.037 -3.359 116 HD22 ASN 15 HD22 ASN 15 11.596 3.498 -1.942 117 H ASN 16 HN ASN 16 12.545 5.902 -7.356 118 HA ASN 16 HA ASN 16 12.628 5.856 -9.615 119 HB2 ASN 16 HB2 ASN 16 10.298 3.987 -9.244 120 HB3 ASN 16 HB1 ASN 16 10.940 4.387 -10.832 121 HD21 ASN 16 HD21 ASN 16 11.501 2.715 -7.847 122 HD22 ASN 16 HD22 ASN 16 12.887 1.825 -8.373 123 H TYR 17 HN TYR 17 11.184 6.266 -11.671 124 HA TYR 17 HA TYR 17 9.733 8.707 -11.090 125 HB2 TYR 17 HB2 TYR 17 10.449 7.399 -13.726 126 HB3 TYR 17 HB1 TYR 17 9.669 8.966 -13.560 127 HD1 TYR 17 HD1 TYR 17 10.939 10.915 -13.194 128 HD2 TYR 17 HD2 TYR 17 12.786 7.102 -12.804 129 HE1 TYR 17 HE1 TYR 17 13.141 12.000 -13.048 130 HE2 TYR 17 HE2 TYR 17 14.988 8.176 -12.659 131 HH TYR 17 HH TYR 17 15.386 11.489 -12.138 132 H ASP 18 HN ASP 18 9.005 6.166 -13.441 133 HA ASP 18 HA ASP 18 6.242 6.152 -12.463 134 HB2 ASP 18 HB2 ASP 18 5.612 5.184 -14.616 135 HB3 ASP 18 HB1 ASP 18 6.499 6.680 -14.861 136 H LEU 19 HN LEU 19 5.633 4.483 -11.263 137 HA LEU 19 HA LEU 19 6.530 1.816 -11.729 138 HB2 LEU 19 HB2 LEU 19 8.527 2.815 -10.620 139 HB3 LEU 19 HB1 LEU 19 7.531 3.184 -9.228 140 HG LEU 19 HG LEU 19 7.124 0.744 -8.927 141 HD11 LEU 19 HD11 LEU 19 9.189 0.491 -11.107 142 HD12 LEU 19 HD12 LEU 19 7.499 -0.003 -11.202 143 HD13 LEU 19 HD13 LEU 19 8.598 -0.830 -10.098 144 HD21 LEU 19 HD21 LEU 19 10.012 1.607 -8.941 145 HD22 LEU 19 HD22 LEU 19 9.343 0.252 -8.035 146 HD23 LEU 19 HD23 LEU 19 8.847 1.898 -7.651 147 H THR 20 HN THR 20 5.500 0.296 -10.304 148 HA THR 20 HA THR 20 3.128 1.408 -8.994 149 HB THR 20 HB THR 20 2.478 -1.118 -8.989 150 HG1 THR 20 HG1 THR 20 4.235 -1.180 -11.217 151 HG21 THR 20 HG21 THR 20 2.634 0.447 -11.568 152 HG22 THR 20 HG22 THR 20 1.362 0.574 -10.352 153 HG23 THR 20 HG23 THR 20 1.566 -0.924 -11.259 154 H SER 21 HN SER 21 3.603 1.868 -6.957 155 HA SER 21 HA SER 21 4.619 -0.234 -5.223 156 HB2 SER 21 HB2 SER 21 5.898 2.501 -5.473 157 HB3 SER 21 HB1 SER 21 6.263 1.338 -4.197 158 HG SER 21 HG SER 21 6.453 0.119 -6.569 159 H LEU 22 HN LEU 22 4.062 0.060 -3.057 160 HA LEU 22 HA LEU 22 1.700 1.529 -2.537 161 HB2 LEU 22 HB2 LEU 22 3.653 0.167 -0.679 162 HB3 LEU 22 HB1 LEU 22 2.149 0.881 -0.147 163 HG LEU 22 HG LEU 22 1.739 -1.429 -0.293 164 HD11 LEU 22 HD11 LEU 22 -0.008 -0.013 -1.282 165 HD12 LEU 22 HD12 LEU 22 0.039 -1.629 -1.985 166 HD13 LEU 22 HD13 LEU 22 0.715 -0.263 -2.872 167 HD21 LEU 22 HD21 LEU 22 3.731 -2.011 -1.609 168 HD22 LEU 22 HD22 LEU 22 2.926 -1.419 -3.061 169 HD23 LEU 22 HD23 LEU 22 2.276 -2.812 -2.201 170 H ASN 23 HN ASN 23 1.852 3.699 -2.697 171 HA ASN 23 HA ASN 23 4.168 5.165 -1.921 172 HB2 ASN 23 HB2 ASN 23 1.377 6.108 -2.604 173 HB3 ASN 23 HB1 ASN 23 2.751 7.176 -2.344 174 HD21 ASN 23 HD21 ASN 23 4.578 5.226 -3.647 175 HD22 ASN 23 HD22 ASN 23 4.276 5.389 -5.343 176 H VAL 24 HN VAL 24 4.150 4.115 0.254 177 HA VAL 24 HA VAL 24 2.324 5.132 2.226 178 HB VAL 24 HB VAL 24 5.024 3.911 2.793 179 HG11 VAL 24 HG11 VAL 24 2.426 3.904 4.325 180 HG12 VAL 24 HG12 VAL 24 3.843 4.890 4.685 181 HG13 VAL 24 HG13 VAL 24 3.930 3.136 4.837 182 HG21 VAL 24 HG21 VAL 24 2.456 2.484 2.118 183 HG22 VAL 24 HG22 VAL 24 3.848 1.714 2.880 184 HG23 VAL 24 HG23 VAL 24 3.994 2.388 1.259 185 H LYS 25 HN LYS 25 2.556 6.935 3.438 186 HA LYS 25 HA LYS 25 4.977 8.526 2.953 187 HB2 LYS 25 HB2 LYS 25 3.493 10.534 2.985 188 HB3 LYS 25 HB1 LYS 25 3.230 9.455 1.626 189 HG2 LYS 25 HG2 LYS 25 1.294 8.482 2.877 190 HG3 LYS 25 HG1 LYS 25 1.510 9.760 4.074 191 HD2 LYS 25 HD2 LYS 25 -0.146 10.563 2.606 192 HD3 LYS 25 HD1 LYS 25 1.333 11.391 2.126 193 HE2 LYS 25 HE2 LYS 25 0.408 10.726 0.101 194 HE3 LYS 25 HE1 LYS 25 1.603 9.474 0.431 195 HZ1 LYS 25 HZ1 LYS 25 -0.396 8.428 -0.274 196 HZ2 LYS 25 HZ2 LYS 25 -1.334 9.308 0.824 197 HZ3 LYS 25 HZ3 LYS 25 -0.255 8.124 1.388 198 H ALA 26 HN ALA 26 5.014 6.974 5.079 199 HA ALA 26 HA ALA 26 5.414 6.919 7.304 200 HB1 ALA 26 HB1 ALA 26 5.408 9.925 7.117 201 HB2 ALA 26 HB2 ALA 26 6.786 8.883 6.754 202 HB3 ALA 26 HB3 ALA 26 6.134 8.946 8.392 203 H GLY 27 HN GLY 27 3.240 6.036 7.530 204 HA2 GLY 27 HA2 GLY 27 1.594 5.970 9.247 205 HA3 GLY 27 HA1 GLY 27 1.670 7.726 9.342 206 H ASP 28 HN ASP 28 1.048 5.294 6.830 207 HA ASP 28 HA ASP 28 -1.352 6.827 6.100 208 HB2 ASP 28 HB2 ASP 28 0.713 7.146 4.584 209 HB3 ASP 28 HB1 ASP 28 0.396 5.505 4.037 210 H ILE 29 HN ILE 29 -2.794 5.460 4.626 211 HA ILE 29 HA ILE 29 -3.014 2.846 5.956 212 HB ILE 29 HB ILE 29 -5.163 4.516 4.641 213 HG12 ILE 29 HG12 ILE 29 -4.365 5.536 6.711 214 HG13 ILE 29 HG11 ILE 29 -5.983 4.884 6.935 215 HG21 ILE 29 HG21 ILE 29 -5.389 1.962 6.229 216 HG22 ILE 29 HG22 ILE 29 -5.647 2.138 4.493 217 HG23 ILE 29 HG23 ILE 29 -6.738 2.927 5.630 218 HD11 ILE 29 HD11 ILE 29 -4.617 4.429 8.868 219 HD12 ILE 29 HD12 ILE 29 -3.411 3.631 7.860 220 HD13 ILE 29 HD13 ILE 29 -5.015 2.919 8.045 221 H ILE 30 HN ILE 30 -2.991 1.010 4.793 222 HA ILE 30 HA ILE 30 -3.129 1.270 1.856 223 HB ILE 30 HB ILE 30 -1.607 -0.898 3.280 224 HG12 ILE 30 HG12 ILE 30 -0.483 1.714 2.247 225 HG13 ILE 30 HG11 ILE 30 -0.681 1.302 3.948 226 HG21 ILE 30 HG21 ILE 30 -2.176 -1.337 0.971 227 HG22 ILE 30 HG22 ILE 30 -0.440 -1.060 1.118 228 HG23 ILE 30 HG23 ILE 30 -1.485 0.210 0.480 229 HD11 ILE 30 HD11 ILE 30 0.869 -0.582 3.638 230 HD12 ILE 30 HD12 ILE 30 1.606 0.981 3.285 231 HD13 ILE 30 HD13 ILE 30 1.108 -0.077 1.965 232 H THR 31 HN THR 31 -4.643 0.054 0.873 233 HA THR 31 HA THR 31 -6.048 -1.964 2.494 234 HB THR 31 HB THR 31 -6.981 -0.655 -0.073 235 HG1 THR 31 HG1 THR 31 -7.509 -0.038 2.665 236 HG21 THR 31 HG21 THR 31 -8.458 -2.310 1.978 237 HG22 THR 31 HG22 THR 31 -7.988 -2.845 0.366 238 HG23 THR 31 HG23 THR 31 -9.173 -1.555 0.556 239 H VAL 32 HN VAL 32 -5.198 -3.939 2.149 240 HA VAL 32 HA VAL 32 -4.190 -4.522 -0.557 241 HB VAL 32 HB VAL 32 -2.381 -5.773 0.340 242 HG11 VAL 32 HG11 VAL 32 -2.040 -3.361 0.274 243 HG12 VAL 32 HG12 VAL 32 -1.132 -4.106 1.588 244 HG13 VAL 32 HG13 VAL 32 -2.625 -3.231 1.932 245 HG21 VAL 32 HG21 VAL 32 -3.505 -6.841 2.206 246 HG22 VAL 32 HG22 VAL 32 -3.548 -5.307 3.078 247 HG23 VAL 32 HG23 VAL 32 -2.002 -6.085 2.737 248 H LEU 33 HN LEU 33 -4.002 -6.860 -1.024 249 HA LEU 33 HA LEU 33 -5.850 -8.497 0.531 250 HB2 LEU 33 HB2 LEU 33 -6.600 -9.648 -1.549 251 HB3 LEU 33 HB1 LEU 33 -7.172 -8.012 -1.371 252 HG LEU 33 HG LEU 33 -6.649 -8.567 -3.690 253 HD11 LEU 33 HD11 LEU 33 -5.321 -6.642 -4.260 254 HD12 LEU 33 HD12 LEU 33 -4.741 -6.519 -2.600 255 HD13 LEU 33 HD13 LEU 33 -6.447 -6.255 -2.961 256 HD21 LEU 33 HD21 LEU 33 -3.806 -8.915 -2.767 257 HD22 LEU 33 HD22 LEU 33 -4.354 -8.895 -4.443 258 HD23 LEU 33 HD23 LEU 33 -4.878 -10.184 -3.359 259 H GLU 34 HN GLU 34 -5.467 -10.882 0.065 260 HA GLU 34 HA GLU 34 -2.558 -11.230 0.092 261 HB2 GLU 34 HB2 GLU 34 -3.745 -11.893 2.137 262 HB3 GLU 34 HB1 GLU 34 -4.750 -12.994 1.203 263 HG2 GLU 34 HG2 GLU 34 -2.687 -14.231 0.571 264 HG3 GLU 34 HG1 GLU 34 -1.790 -13.196 1.682 265 H GLN 35 HN GLN 35 -1.914 -11.685 -1.885 266 HA GLN 35 HA GLN 35 -3.468 -13.512 -3.558 267 HB2 GLN 35 HB2 GLN 35 -2.807 -11.324 -4.500 268 HB3 GLN 35 HB1 GLN 35 -1.118 -11.730 -4.244 269 HG2 GLN 35 HG2 GLN 35 -1.226 -13.481 -5.869 270 HG3 GLN 35 HG1 GLN 35 -2.973 -13.287 -6.025 271 HE21 GLN 35 HE21 GLN 35 0.143 -11.916 -6.782 272 HE22 GLN 35 HE22 GLN 35 -0.421 -10.803 -7.975 273 H HIS 36 HN HIS 36 -0.029 -12.879 -3.002 274 HA HIS 36 HA HIS 36 1.784 -14.204 -2.718 275 HB2 HIS 36 HB2 HIS 36 0.226 -14.666 -0.669 276 HB3 HIS 36 HB1 HIS 36 0.039 -16.254 -1.404 277 HD2 HIS 36 HD2 HIS 36 2.657 -17.570 -1.806 278 HE1 HIS 36 HE1 HIS 36 4.249 -15.525 1.536 279 HE2 HIS 36 HE2 HIS 36 4.658 -17.355 -0.166 280 HA PRO 37 HA PRO 37 0.959 -17.351 -5.965 281 HB2 PRO 37 HB2 PRO 37 1.754 -16.051 -8.160 282 HB3 PRO 37 HB1 PRO 37 0.127 -15.832 -7.508 283 HG2 PRO 37 HG2 PRO 37 2.457 -14.007 -7.420 284 HG3 PRO 37 HG1 PRO 37 0.729 -13.627 -7.415 285 HD2 PRO 37 HD2 PRO 37 2.491 -13.747 -5.177 286 HD3 PRO 37 HD1 PRO 37 0.737 -13.484 -5.156 287 H ASP 38 HN ASP 38 3.386 -15.727 -4.537 288 HA ASP 38 HA ASP 38 5.432 -17.585 -5.178 289 HB2 ASP 38 HB2 ASP 38 6.990 -16.169 -6.311 290 HB3 ASP 38 HB1 ASP 38 5.473 -16.049 -7.192 291 H GLY 39 HN GLY 39 4.508 -14.458 -3.866 292 HA2 GLY 39 HA2 GLY 39 5.120 -14.877 -1.258 293 HA3 GLY 39 HA1 GLY 39 6.659 -14.393 -1.956 294 H ARG 40 HN ARG 40 4.896 -12.735 -3.918 295 HA ARG 40 HA ARG 40 4.687 -10.437 -2.103 296 HB2 ARG 40 HB2 ARG 40 4.862 -9.029 -4.099 297 HB3 ARG 40 HB1 ARG 40 6.232 -10.117 -3.958 298 HG2 ARG 40 HG2 ARG 40 5.206 -11.600 -5.626 299 HG3 ARG 40 HG1 ARG 40 3.869 -10.460 -5.788 300 HD2 ARG 40 HD2 ARG 40 5.553 -10.189 -7.559 301 HD3 ARG 40 HD1 ARG 40 5.380 -8.743 -6.565 302 HE ARG 40 HE ARG 40 7.489 -10.579 -5.785 303 HH11 ARG 40 HH11 ARG 40 6.626 -7.712 -7.600 304 HH12 ARG 40 HH12 ARG 40 8.236 -7.070 -7.586 305 HH21 ARG 40 HH21 ARG 40 9.613 -9.733 -5.774 306 HH22 ARG 40 HH22 ARG 40 9.933 -8.215 -6.554 307 H TRP 41 HN TRP 41 2.917 -9.066 -2.174 308 HA TRP 41 HA TRP 41 0.489 -10.204 -3.402 309 HB2 TRP 41 HB2 TRP 41 0.606 -8.494 -0.908 310 HB3 TRP 41 HB1 TRP 41 -0.803 -9.313 -1.558 311 HD1 TRP 41 HD1 TRP 41 1.456 -11.996 -1.862 312 HE1 TRP 41 HE1 TRP 41 1.597 -13.465 0.249 313 HE3 TRP 41 HE3 TRP 41 -0.679 -8.791 1.493 314 HZ2 TRP 41 HZ2 TRP 41 0.879 -13.284 2.974 315 HZ3 TRP 41 HZ3 TRP 41 -0.922 -9.511 3.824 316 HH2 TRP 41 HH2 TRP 41 -0.159 -11.714 4.551 317 H LYS 42 HN LYS 42 -1.175 -8.469 -3.847 318 HA LYS 42 HA LYS 42 0.147 -5.956 -4.602 319 HB2 LYS 42 HB2 LYS 42 -1.643 -5.672 -6.280 320 HB3 LYS 42 HB1 LYS 42 -0.709 -7.134 -6.553 321 HG2 LYS 42 HG2 LYS 42 -2.464 -8.495 -5.644 322 HG3 LYS 42 HG1 LYS 42 -3.379 -7.062 -5.170 323 HD2 LYS 42 HD2 LYS 42 -4.321 -7.975 -7.194 324 HD3 LYS 42 HD1 LYS 42 -3.553 -6.431 -7.556 325 HE2 LYS 42 HE2 LYS 42 -1.531 -7.729 -8.291 326 HE3 LYS 42 HE1 LYS 42 -2.497 -9.195 -8.133 327 HZ1 LYS 42 HZ1 LYS 42 -4.060 -8.258 -9.755 328 HZ2 LYS 42 HZ2 LYS 42 -2.507 -8.435 -10.401 329 HZ3 LYS 42 HZ3 LYS 42 -3.060 -6.905 -9.940 330 H GLY 43 HN GLY 43 -0.871 -4.001 -4.072 331 HA2 GLY 43 HA2 GLY 43 -3.365 -4.117 -2.568 332 HA3 GLY 43 HA1 GLY 43 -1.944 -3.610 -1.668 333 H CYS 44 HN CYS 44 -4.132 -1.987 -1.913 334 HA CYS 44 HA CYS 44 -3.239 0.076 -3.820 335 HB2 CYS 44 HB2 CYS 44 -5.971 -0.374 -2.602 336 HB3 CYS 44 HB1 CYS 44 -5.550 0.953 -3.679 337 HG CYS 44 HG CYS 44 -6.308 -2.221 -4.398 338 H ILE 45 HN ILE 45 -3.397 2.285 -3.084 339 HA ILE 45 HA ILE 45 -2.796 2.487 -0.223 340 HB ILE 45 HB ILE 45 -2.164 4.308 -2.550 341 HG12 ILE 45 HG12 ILE 45 -0.737 2.298 -2.238 342 HG13 ILE 45 HG11 ILE 45 0.147 3.808 -2.034 343 HG21 ILE 45 HG21 ILE 45 -1.606 4.795 0.375 344 HG22 ILE 45 HG22 ILE 45 -2.743 5.692 -0.631 345 HG23 ILE 45 HG23 ILE 45 -1.013 5.777 -0.964 346 HD11 ILE 45 HD11 ILE 45 -0.849 2.014 0.165 347 HD12 ILE 45 HD12 ILE 45 -0.033 3.556 0.403 348 HD13 ILE 45 HD13 ILE 45 0.820 2.217 -0.358 349 H HIS 46 HN HIS 46 -4.161 3.457 1.118 350 HA HIS 46 HA HIS 46 -6.326 5.065 -0.046 351 HB2 HIS 46 HB2 HIS 46 -7.005 3.141 1.392 352 HB3 HIS 46 HB1 HIS 46 -6.119 3.862 2.730 353 HD2 HIS 46 HD2 HIS 46 -7.446 5.783 4.133 354 HE1 HIS 46 HE1 HIS 46 -10.867 5.887 1.645 355 HE2 HIS 46 HE2 HIS 46 -9.780 6.838 3.728 356 H ASP 47 HN ASP 47 -5.598 7.038 -0.222 357 HA ASP 47 HA ASP 47 -3.640 8.111 1.598 358 HB2 ASP 47 HB2 ASP 47 -3.391 8.514 -0.772 359 HB3 ASP 47 HB1 ASP 47 -4.992 9.236 -0.854 360 H ASN 48 HN ASN 48 -3.939 9.643 3.095 361 HA ASN 48 HA ASN 48 -6.732 10.358 3.675 362 HB2 ASN 48 HB2 ASN 48 -4.332 10.148 5.509 363 HB3 ASN 48 HB1 ASN 48 -5.926 10.702 6.013 364 HD21 ASN 48 HD21 ASN 48 -4.041 7.960 4.943 365 HD22 ASN 48 HD22 ASN 48 -5.171 6.753 5.447 366 H ARG 49 HN ARG 49 -4.993 11.752 1.799 367 HA ARG 49 HA ARG 49 -4.881 14.367 3.147 368 HB2 ARG 49 HB2 ARG 49 -3.006 13.294 1.036 369 HB3 ARG 49 HB1 ARG 49 -3.004 14.950 1.625 370 HG2 ARG 49 HG2 ARG 49 -2.502 14.113 3.886 371 HG3 ARG 49 HG1 ARG 49 -2.428 12.474 3.235 372 HD2 ARG 49 HD2 ARG 49 -0.197 13.434 3.457 373 HD3 ARG 49 HD1 ARG 49 -0.594 13.133 1.769 374 HE ARG 49 HE ARG 49 -0.676 15.424 1.384 375 HH11 ARG 49 HH11 ARG 49 -0.171 14.760 4.784 376 HH12 ARG 49 HH12 ARG 49 0.403 16.354 5.142 377 HH21 ARG 49 HH21 ARG 49 0.063 17.533 1.860 378 HH22 ARG 49 HH22 ARG 49 0.523 17.941 3.481 379 H THR 50 HN THR 50 -4.709 13.095 -0.182 380 HA THR 50 HA THR 50 -6.758 15.090 -0.915 381 HB THR 50 HB THR 50 -4.550 14.139 -2.740 382 HG1 THR 50 HG1 THR 50 -4.634 16.262 -0.874 383 HG21 THR 50 HG21 THR 50 -6.407 16.519 -2.868 384 HG22 THR 50 HG22 THR 50 -6.539 15.054 -3.843 385 HG23 THR 50 HG23 THR 50 -5.151 16.126 -4.041 386 H GLY 51 HN GLY 51 -5.332 11.940 -1.643 387 HA2 GLY 51 HA2 GLY 51 -7.231 10.235 -1.982 388 HA3 GLY 51 HA1 GLY 51 -7.668 11.294 -3.315 389 H ASN 52 HN ASN 52 -4.394 10.540 -2.314 390 HA ASN 52 HA ASN 52 -3.607 9.751 -4.927 391 HB2 ASN 52 HB2 ASN 52 -2.204 9.443 -2.262 392 HB3 ASN 52 HB1 ASN 52 -1.465 9.084 -3.816 393 HD21 ASN 52 HD21 ASN 52 -2.497 11.565 -1.634 394 HD22 ASN 52 HD22 ASN 52 -1.776 12.890 -2.484 395 H ASP 53 HN ASP 53 -4.938 8.049 -5.541 396 HA ASP 53 HA ASP 53 -4.722 5.561 -3.997 397 HB2 ASP 53 HB2 ASP 53 -7.007 6.110 -4.357 398 HB3 ASP 53 HB1 ASP 53 -6.721 6.519 -6.045 399 H ARG 54 HN ARG 54 -3.039 4.412 -4.652 400 HA ARG 54 HA ARG 54 -2.851 3.764 -7.500 401 HB2 ARG 54 HB2 ARG 54 -0.532 4.575 -5.734 402 HB3 ARG 54 HB1 ARG 54 -0.350 3.824 -7.316 403 HG2 ARG 54 HG2 ARG 54 -1.473 5.711 -8.360 404 HG3 ARG 54 HG1 ARG 54 -1.708 6.457 -6.778 405 HD2 ARG 54 HD2 ARG 54 0.740 6.519 -6.485 406 HD3 ARG 54 HD1 ARG 54 0.928 5.868 -8.115 407 HE ARG 54 HE ARG 54 -0.345 7.951 -8.815 408 HH11 ARG 54 HH11 ARG 54 1.729 7.844 -5.991 409 HH12 ARG 54 HH12 ARG 54 2.106 9.540 -6.058 410 HH21 ARG 54 HH21 ARG 54 0.150 10.175 -8.896 411 HH22 ARG 54 HH22 ARG 54 1.215 10.861 -7.713 412 H VAL 55 HN VAL 55 -1.706 1.756 -7.915 413 HA VAL 55 HA VAL 55 -2.026 -0.115 -5.670 414 HB VAL 55 HB VAL 55 -3.480 -0.551 -7.617 415 HG11 VAL 55 HG11 VAL 55 -2.501 -1.378 -9.719 416 HG12 VAL 55 HG12 VAL 55 -0.899 -0.945 -9.119 417 HG13 VAL 55 HG13 VAL 55 -2.106 0.310 -9.399 418 HG21 VAL 55 HG21 VAL 55 -1.358 -2.655 -7.211 419 HG22 VAL 55 HG22 VAL 55 -2.963 -2.925 -7.889 420 HG23 VAL 55 HG23 VAL 55 -2.789 -2.414 -6.210 421 H GLY 56 HN GLY 56 -0.406 -1.536 -5.141 422 HA2 GLY 56 HA2 GLY 56 2.053 -1.503 -6.730 423 HA3 GLY 56 HA1 GLY 56 2.161 -0.964 -5.060 424 H TYR 57 HN TYR 57 3.644 -3.102 -5.943 425 HA TYR 57 HA TYR 57 2.276 -5.410 -4.736 426 HB2 TYR 57 HB2 TYR 57 4.548 -5.265 -6.714 427 HB3 TYR 57 HB1 TYR 57 4.167 -6.736 -5.826 428 HD1 TYR 57 HD1 TYR 57 2.477 -8.183 -6.586 429 HD2 TYR 57 HD2 TYR 57 2.745 -4.254 -8.195 430 HE1 TYR 57 HE1 TYR 57 0.795 -8.767 -8.282 431 HE2 TYR 57 HE2 TYR 57 1.065 -4.828 -9.893 432 HH TYR 57 HH TYR 57 -0.823 -7.661 -9.730 433 H PHE 58 HN PHE 58 3.073 -6.310 -2.931 434 HA PHE 58 HA PHE 58 5.615 -5.265 -1.886 435 HB2 PHE 58 HB2 PHE 58 4.574 -4.943 0.329 436 HB3 PHE 58 HB1 PHE 58 3.837 -3.916 -0.895 437 HD1 PHE 58 HD1 PHE 58 1.627 -4.725 -1.935 438 HD2 PHE 58 HD2 PHE 58 3.275 -6.334 1.640 439 HE1 PHE 58 HE1 PHE 58 -0.581 -5.607 -1.315 440 HE2 PHE 58 HE2 PHE 58 1.072 -7.222 2.261 441 HZ PHE 58 HZ PHE 58 -0.857 -6.861 0.783 442 HA PRO 59 HA PRO 59 6.301 -9.516 -0.884 443 HB2 PRO 59 HB2 PRO 59 8.322 -9.257 0.883 444 HB3 PRO 59 HB1 PRO 59 8.530 -8.929 -0.841 445 HG2 PRO 59 HG2 PRO 59 8.115 -7.011 1.417 446 HG3 PRO 59 HG1 PRO 59 9.228 -6.897 0.042 447 HD2 PRO 59 HD2 PRO 59 6.837 -5.590 0.150 448 HD3 PRO 59 HD1 PRO 59 7.603 -6.102 -1.367 449 H SER 60 HN SER 60 4.157 -9.595 0.168 450 HA SER 60 HA SER 60 2.735 -10.124 1.832 451 HB2 SER 60 HB2 SER 60 3.559 -11.599 3.592 452 HB3 SER 60 HB1 SER 60 4.273 -12.035 2.043 453 HG SER 60 HG SER 60 6.003 -10.423 2.951 454 H SER 61 HN SER 61 3.286 -10.191 4.699 455 HA SER 61 HA SER 61 2.070 -7.967 5.540 456 HB2 SER 61 HB2 SER 61 4.331 -9.163 7.131 457 HB3 SER 61 HB1 SER 61 2.815 -8.482 7.727 458 HG SER 61 HG SER 61 1.721 -10.239 6.994 459 H LEU 62 HN LEU 62 2.528 -5.948 4.852 460 HA LEU 62 HA LEU 62 5.267 -4.942 5.116 461 HB2 LEU 62 HB2 LEU 62 4.199 -4.712 2.914 462 HB3 LEU 62 HB1 LEU 62 2.897 -3.791 3.642 463 HG LEU 62 HG LEU 62 4.541 -2.037 4.275 464 HD11 LEU 62 HD11 LEU 62 6.547 -3.416 4.351 465 HD12 LEU 62 HD12 LEU 62 6.755 -2.062 3.240 466 HD13 LEU 62 HD13 LEU 62 6.443 -3.680 2.610 467 HD21 LEU 62 HD21 LEU 62 3.216 -1.813 2.253 468 HD22 LEU 62 HD22 LEU 62 4.417 -2.730 1.345 469 HD23 LEU 62 HD23 LEU 62 4.832 -1.150 2.010 470 H GLY 63 HN GLY 63 1.924 -3.863 5.675 471 HA2 GLY 63 HA2 GLY 63 2.917 -2.146 7.848 472 HA3 GLY 63 HA1 GLY 63 1.401 -1.912 6.987 473 H GLU 64 HN GLU 64 1.094 -1.816 9.561 474 HA GLU 64 HA GLU 64 0.710 -4.386 10.786 475 HB2 GLU 64 HB2 GLU 64 -0.145 -1.613 11.635 476 HB3 GLU 64 HB1 GLU 64 -0.336 -3.059 12.621 477 HG2 GLU 64 HG2 GLU 64 2.067 -3.363 12.690 478 HG3 GLU 64 HG1 GLU 64 2.291 -1.969 11.634 479 H ALA 65 HN ALA 65 -0.891 -5.677 10.272 480 HA ALA 65 HA ALA 65 -3.074 -4.782 8.669 481 HB1 ALA 65 HB1 ALA 65 -2.646 -7.484 9.931 482 HB2 ALA 65 HB2 ALA 65 -2.017 -6.980 8.362 483 HB3 ALA 65 HB3 ALA 65 -3.758 -7.099 8.616 484 H ILE 66 HN ILE 66 -4.874 -3.925 9.339 485 HA ILE 66 HA ILE 66 -5.867 -4.588 12.029 486 HB ILE 66 HB ILE 66 -7.238 -2.573 11.895 487 HG12 ILE 66 HG12 ILE 66 -5.898 -2.093 9.221 488 HG13 ILE 66 HG11 ILE 66 -7.576 -2.583 9.436 489 HG21 ILE 66 HG21 ILE 66 -4.999 -2.387 12.822 490 HG22 ILE 66 HG22 ILE 66 -5.436 -0.906 11.969 491 HG23 ILE 66 HG23 ILE 66 -4.344 -2.068 11.216 492 HD11 ILE 66 HD11 ILE 66 -6.362 -0.012 10.423 493 HD12 ILE 66 HD12 ILE 66 -8.050 -0.496 10.583 494 HD13 ILE 66 HD13 ILE 66 -7.367 -0.197 8.987 495 H VAL 67 HN VAL 67 -6.167 -5.614 9.002 496 HA VAL 67 HA VAL 67 -7.629 -6.952 7.919 497 HB VAL 67 HB VAL 67 -9.331 -6.763 10.409 498 HG11 VAL 67 HG11 VAL 67 -10.666 -7.445 8.511 499 HG12 VAL 67 HG12 VAL 67 -10.379 -8.834 9.560 500 HG13 VAL 67 HG13 VAL 67 -9.464 -8.655 8.063 501 HG21 VAL 67 HG21 VAL 67 -7.133 -7.721 10.858 502 HG22 VAL 67 HG22 VAL 67 -7.353 -8.869 9.536 503 HG23 VAL 67 HG23 VAL 67 -8.388 -8.955 10.962 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -6.910 -11.936 8.942 2 H2 GLY 1 HT2 GLY 1 -8.536 -11.612 9.276 3 H3 GLY 1 HT3 GLY 1 -7.763 -10.827 7.997 4 HA2 GLY 1 HA1 GLY 1 -8.331 -13.726 8.160 5 HA3 GLY 1 HA2 GLY 1 -9.191 -12.565 7.162 6 H SER 2 HN SER 2 -8.327 -14.486 5.709 7 HA SER 2 HA SER 2 -5.641 -13.828 4.736 8 HB2 SER 2 HB2 SER 2 -5.878 -16.019 3.497 9 HB3 SER 2 HB1 SER 2 -5.880 -16.155 5.253 10 HG SER 2 HG SER 2 -7.745 -16.954 3.529 11 H HIS 3 HN HIS 3 -5.323 -13.927 2.366 12 HA HIS 3 HA HIS 3 -5.729 -13.308 0.238 13 HB2 HIS 3 HB2 HIS 3 -8.490 -14.111 1.038 14 HB3 HIS 3 HB1 HIS 3 -8.238 -13.296 -0.503 15 HD2 HIS 3 HD2 HIS 3 -5.663 -14.754 -1.650 16 HE1 HIS 3 HE1 HIS 3 -7.739 -18.347 -0.834 17 HE2 HIS 3 HE2 HIS 3 -5.751 -17.319 -2.021 18 H MET 4 HN MET 4 -7.148 -11.535 2.805 19 HA MET 4 HA MET 4 -6.720 -9.083 1.372 20 HB2 MET 4 HB2 MET 4 -8.985 -8.208 1.554 21 HB3 MET 4 HB1 MET 4 -8.975 -9.667 0.573 22 HG2 MET 4 HG2 MET 4 -9.821 -10.959 2.441 23 HG3 MET 4 HG1 MET 4 -9.766 -9.531 3.475 24 HE1 MET 4 HE1 MET 4 -12.284 -9.853 4.180 25 HE2 MET 4 HE2 MET 4 -12.359 -11.312 3.194 26 HE3 MET 4 HE3 MET 4 -13.603 -10.074 3.031 27 H LEU 5 HN LEU 5 -6.309 -7.392 2.736 28 HA LEU 5 HA LEU 5 -7.324 -7.291 5.402 29 HB2 LEU 5 HB2 LEU 5 -5.139 -7.375 6.569 30 HB3 LEU 5 HB1 LEU 5 -5.634 -8.917 5.902 31 HG LEU 5 HG LEU 5 -3.739 -7.180 4.358 32 HD11 LEU 5 HD11 LEU 5 -2.758 -7.278 6.562 33 HD12 LEU 5 HD12 LEU 5 -1.867 -8.335 5.467 34 HD13 LEU 5 HD13 LEU 5 -3.005 -9.023 6.625 35 HD21 LEU 5 HD21 LEU 5 -4.091 -10.166 4.604 36 HD22 LEU 5 HD22 LEU 5 -2.927 -9.349 3.560 37 HD23 LEU 5 HD23 LEU 5 -4.657 -9.164 3.269 38 H GLN 6 HN GLN 6 -7.049 -5.266 6.335 39 HA GLN 6 HA GLN 6 -5.755 -3.279 4.607 40 HB2 GLN 6 HB2 GLN 6 -8.130 -2.866 5.083 41 HB3 GLN 6 HB1 GLN 6 -7.792 -2.893 6.809 42 HG2 GLN 6 HG2 GLN 6 -6.481 -0.905 6.652 43 HG3 GLN 6 HG1 GLN 6 -6.567 -0.930 4.894 44 HE21 GLN 6 HE21 GLN 6 -8.307 -0.295 7.840 45 HE22 GLN 6 HE22 GLN 6 -9.609 0.576 7.111 46 H VAL 7 HN VAL 7 -3.972 -2.257 5.275 47 HA VAL 7 HA VAL 7 -3.062 -2.867 8.007 48 HB VAL 7 HB VAL 7 -0.773 -2.971 7.169 49 HG11 VAL 7 HG11 VAL 7 -2.017 -5.042 7.282 50 HG12 VAL 7 HG12 VAL 7 -0.941 -5.063 5.884 51 HG13 VAL 7 HG13 VAL 7 -2.667 -4.773 5.665 52 HG21 VAL 7 HG21 VAL 7 -1.993 -2.586 4.436 53 HG22 VAL 7 HG22 VAL 7 -0.309 -3.004 4.757 54 HG23 VAL 7 HG23 VAL 7 -0.948 -1.445 5.286 55 H ARG 8 HN ARG 8 -1.842 -1.343 9.087 56 HA ARG 8 HA ARG 8 -1.840 1.383 7.972 57 HB2 ARG 8 HB2 ARG 8 -1.327 0.494 10.819 58 HB3 ARG 8 HB1 ARG 8 -1.473 2.149 10.257 59 HG2 ARG 8 HG2 ARG 8 -3.823 1.684 9.640 60 HG3 ARG 8 HG1 ARG 8 -3.647 0.076 10.353 61 HD2 ARG 8 HD2 ARG 8 -3.446 2.744 11.732 62 HD3 ARG 8 HD1 ARG 8 -4.644 1.479 12.002 63 HE ARG 8 HE ARG 8 -1.883 0.744 12.519 64 HH11 ARG 8 HH11 ARG 8 -4.910 1.876 13.839 65 HH12 ARG 8 HH12 ARG 8 -4.507 1.446 15.468 66 HH21 ARG 8 HH21 ARG 8 -1.341 0.157 14.648 67 HH22 ARG 8 HH22 ARG 8 -2.483 0.449 15.930 68 H ALA 9 HN ALA 9 0.045 1.931 7.036 69 HA ALA 9 HA ALA 9 2.467 0.583 8.020 70 HB1 ALA 9 HB1 ALA 9 1.900 1.527 5.220 71 HB2 ALA 9 HB2 ALA 9 1.816 -0.144 5.780 72 HB3 ALA 9 HB3 ALA 9 3.361 0.709 5.770 73 H THR 10 HN THR 10 4.097 1.779 8.699 74 HA THR 10 HA THR 10 4.172 4.607 7.901 75 HB THR 10 HB THR 10 5.663 4.853 9.986 76 HG1 THR 10 HG1 THR 10 4.284 2.493 10.794 77 HG21 THR 10 HG21 THR 10 3.416 5.777 9.892 78 HG22 THR 10 HG22 THR 10 3.715 5.080 11.483 79 HG23 THR 10 HG23 THR 10 2.730 4.208 10.310 80 H LYS 11 HN LYS 11 5.477 4.603 6.183 81 HA LYS 11 HA LYS 11 8.254 4.006 6.428 82 HB2 LYS 11 HB2 LYS 11 7.205 1.729 6.091 83 HB3 LYS 11 HB1 LYS 11 6.626 2.292 4.533 84 HG2 LYS 11 HG2 LYS 11 8.947 2.631 3.809 85 HG3 LYS 11 HG1 LYS 11 9.503 2.008 5.367 86 HD2 LYS 11 HD2 LYS 11 8.289 -0.107 4.887 87 HD3 LYS 11 HD1 LYS 11 7.898 0.526 3.288 88 HE2 LYS 11 HE2 LYS 11 9.812 -0.927 3.120 89 HE3 LYS 11 HE1 LYS 11 10.315 0.735 2.823 90 HZ1 LYS 11 HZ1 LYS 11 11.117 0.850 5.108 91 HZ2 LYS 11 HZ2 LYS 11 11.875 -0.398 4.260 92 HZ3 LYS 11 HZ3 LYS 11 10.651 -0.756 5.370 93 H ASP 12 HN ASP 12 9.411 4.768 4.513 94 HA ASP 12 HA ASP 12 7.735 6.364 2.699 95 HB2 ASP 12 HB2 ASP 12 10.667 6.528 3.395 96 HB3 ASP 12 HB1 ASP 12 10.005 7.335 1.978 97 H TYR 13 HN TYR 13 7.037 4.677 1.399 98 HA TYR 13 HA TYR 13 9.119 3.137 0.009 99 HB2 TYR 13 HB2 TYR 13 7.318 1.983 1.437 100 HB3 TYR 13 HB1 TYR 13 6.201 2.422 0.156 101 HD1 TYR 13 HD1 TYR 13 9.328 0.525 0.822 102 HD2 TYR 13 HD2 TYR 13 5.983 1.076 -1.746 103 HE1 TYR 13 HE1 TYR 13 9.961 -1.499 -0.427 104 HE2 TYR 13 HE2 TYR 13 6.601 -0.946 -2.998 105 HH TYR 13 HH TYR 13 8.533 -2.322 -3.431 106 H CYS 14 HN CYS 14 8.725 2.622 -2.240 107 HA CYS 14 HA CYS 14 8.225 3.060 -4.396 108 HB2 CYS 14 HB2 CYS 14 5.852 3.095 -3.697 109 HB3 CYS 14 HB1 CYS 14 5.994 4.812 -3.349 110 HG CYS 14 HG CYS 14 5.597 5.677 -5.744 111 H ASN 15 HN ASN 15 7.257 6.197 -3.078 112 HA ASN 15 HA ASN 15 7.896 8.302 -3.702 113 HB2 ASN 15 HB2 ASN 15 10.210 8.820 -2.859 114 HB3 ASN 15 HB1 ASN 15 9.145 8.034 -1.706 115 HD21 ASN 15 HD21 ASN 15 11.977 7.709 -3.678 116 HD22 ASN 15 HD22 ASN 15 12.563 6.251 -2.951 117 H ASN 16 HN ASN 16 7.641 7.302 -6.036 118 HA ASN 16 HA ASN 16 9.925 8.291 -7.556 119 HB2 ASN 16 HB2 ASN 16 10.080 5.737 -7.185 120 HB3 ASN 16 HB1 ASN 16 8.706 5.630 -8.277 121 HD21 ASN 16 HD21 ASN 16 11.434 4.627 -8.555 122 HD22 ASN 16 HD22 ASN 16 12.051 5.315 -10.018 123 H TYR 17 HN TYR 17 9.324 9.063 -9.611 124 HA TYR 17 HA TYR 17 6.870 10.311 -9.736 125 HB2 TYR 17 HB2 TYR 17 8.802 9.632 -11.951 126 HB3 TYR 17 HB1 TYR 17 7.407 10.684 -12.169 127 HD1 TYR 17 HD1 TYR 17 7.450 12.956 -11.433 128 HD2 TYR 17 HD2 TYR 17 10.631 10.320 -10.407 129 HE1 TYR 17 HE1 TYR 17 8.783 14.872 -10.660 130 HE2 TYR 17 HE2 TYR 17 11.970 12.230 -9.633 131 HH TYR 17 HH TYR 17 12.128 14.610 -9.942 132 H ASP 18 HN ASP 18 7.811 7.701 -11.986 133 HA ASP 18 HA ASP 18 5.055 6.720 -11.770 134 HB2 ASP 18 HB2 ASP 18 5.114 5.997 -14.099 135 HB3 ASP 18 HB1 ASP 18 5.378 7.730 -13.977 136 H LEU 19 HN LEU 19 4.953 4.849 -10.841 137 HA LEU 19 HA LEU 19 6.687 2.660 -11.424 138 HB2 LEU 19 HB2 LEU 19 8.196 3.963 -9.993 139 HB3 LEU 19 HB1 LEU 19 6.966 4.048 -8.750 140 HG LEU 19 HG LEU 19 7.114 1.573 -8.498 141 HD11 LEU 19 HD11 LEU 19 9.448 1.875 -10.379 142 HD12 LEU 19 HD12 LEU 19 7.960 0.981 -10.682 143 HD13 LEU 19 HD13 LEU 19 9.078 0.432 -9.437 144 HD21 LEU 19 HD21 LEU 19 9.266 1.596 -7.321 145 HD22 LEU 19 HD22 LEU 19 8.315 3.043 -6.988 146 HD23 LEU 19 HD23 LEU 19 9.673 3.119 -8.111 147 H THR 20 HN THR 20 5.894 0.711 -10.443 148 HA THR 20 HA THR 20 3.270 1.040 -9.178 149 HB THR 20 HB THR 20 4.487 -1.500 -10.283 150 HG1 THR 20 HG1 THR 20 3.934 -0.772 -12.188 151 HG21 THR 20 HG21 THR 20 1.652 -0.767 -9.533 152 HG22 THR 20 HG22 THR 20 2.707 -1.881 -8.665 153 HG23 THR 20 HG23 THR 20 2.147 -2.282 -10.285 154 H SER 21 HN SER 21 3.592 1.299 -7.068 155 HA SER 21 HA SER 21 4.633 -0.818 -5.453 156 HB2 SER 21 HB2 SER 21 6.183 1.780 -5.658 157 HB3 SER 21 HB1 SER 21 6.390 0.614 -4.352 158 HG SER 21 HG SER 21 6.551 -0.435 -6.909 159 H LEU 22 HN LEU 22 4.393 -0.271 -3.137 160 HA LEU 22 HA LEU 22 1.991 1.154 -2.659 161 HB2 LEU 22 HB2 LEU 22 4.045 0.000 -0.780 162 HB3 LEU 22 HB1 LEU 22 2.582 0.785 -0.229 163 HG LEU 22 HG LEU 22 2.245 -1.577 -0.137 164 HD11 LEU 22 HD11 LEU 22 0.344 -0.220 -0.881 165 HD12 LEU 22 HD12 LEU 22 0.305 -1.850 -1.553 166 HD13 LEU 22 HD13 LEU 22 0.817 -0.496 -2.557 167 HD21 LEU 22 HD21 LEU 22 2.477 -3.042 -2.035 168 HD22 LEU 22 HD22 LEU 22 3.999 -2.202 -1.746 169 HD23 LEU 22 HD23 LEU 22 2.946 -1.689 -3.061 170 H ASN 23 HN ASN 23 1.879 3.281 -2.759 171 HA ASN 23 HA ASN 23 4.099 4.987 -2.131 172 HB2 ASN 23 HB2 ASN 23 2.455 5.644 -3.838 173 HB3 ASN 23 HB1 ASN 23 1.183 5.658 -2.622 174 HD21 ASN 23 HD21 ASN 23 3.941 7.318 -3.905 175 HD22 ASN 23 HD22 ASN 23 3.713 8.791 -3.027 176 H VAL 24 HN VAL 24 4.509 4.203 -0.002 177 HA VAL 24 HA VAL 24 2.549 4.881 2.056 178 HB VAL 24 HB VAL 24 5.310 3.784 2.567 179 HG11 VAL 24 HG11 VAL 24 4.245 2.817 4.543 180 HG12 VAL 24 HG12 VAL 24 2.700 3.515 4.053 181 HG13 VAL 24 HG13 VAL 24 4.043 4.569 4.494 182 HG21 VAL 24 HG21 VAL 24 4.367 2.303 0.916 183 HG22 VAL 24 HG22 VAL 24 2.851 2.213 1.807 184 HG23 VAL 24 HG23 VAL 24 4.318 1.512 2.491 185 H LYS 25 HN LYS 25 2.946 6.446 3.667 186 HA LYS 25 HA LYS 25 5.149 8.302 3.045 187 HB2 LYS 25 HB2 LYS 25 3.536 10.188 3.325 188 HB3 LYS 25 HB1 LYS 25 3.247 9.192 1.907 189 HG2 LYS 25 HG2 LYS 25 1.612 7.939 3.570 190 HG3 LYS 25 HG1 LYS 25 1.623 9.509 4.369 191 HD2 LYS 25 HD2 LYS 25 -0.209 9.467 2.829 192 HD3 LYS 25 HD1 LYS 25 1.026 10.550 2.183 193 HE2 LYS 25 HE2 LYS 25 0.198 9.189 0.393 194 HE3 LYS 25 HE1 LYS 25 1.843 8.681 0.763 195 HZ1 LYS 25 HZ1 LYS 25 -0.679 7.299 1.468 196 HZ2 LYS 25 HZ2 LYS 25 0.805 6.879 2.153 197 HZ3 LYS 25 HZ3 LYS 25 0.577 6.733 0.486 198 H ALA 26 HN ALA 26 5.137 6.470 5.090 199 HA ALA 26 HA ALA 26 5.559 6.237 7.307 200 HB1 ALA 26 HB1 ALA 26 6.742 8.058 8.367 201 HB2 ALA 26 HB2 ALA 26 6.150 9.184 7.143 202 HB3 ALA 26 HB3 ALA 26 7.260 7.890 6.688 203 H GLY 27 HN GLY 27 2.825 6.528 6.812 204 HA2 GLY 27 HA2 GLY 27 1.592 6.572 9.135 205 HA3 GLY 27 HA1 GLY 27 1.854 8.300 8.928 206 H ASP 28 HN ASP 28 0.595 5.498 7.161 207 HA ASP 28 HA ASP 28 -1.802 6.957 6.493 208 HB2 ASP 28 HB2 ASP 28 -1.504 6.537 4.034 209 HB3 ASP 28 HB1 ASP 28 -0.427 7.748 4.710 210 H ILE 29 HN ILE 29 -3.228 5.531 5.047 211 HA ILE 29 HA ILE 29 -3.183 2.857 6.255 212 HB ILE 29 HB ILE 29 -5.534 4.326 5.049 213 HG12 ILE 29 HG12 ILE 29 -4.714 5.516 7.025 214 HG13 ILE 29 HG11 ILE 29 -6.259 4.744 7.361 215 HG21 ILE 29 HG21 ILE 29 -5.417 1.844 6.758 216 HG22 ILE 29 HG22 ILE 29 -5.793 1.909 5.036 217 HG23 ILE 29 HG23 ILE 29 -6.889 2.644 6.205 218 HD11 ILE 29 HD11 ILE 29 -3.551 3.731 8.191 219 HD12 ILE 29 HD12 ILE 29 -5.092 2.931 8.514 220 HD13 ILE 29 HD13 ILE 29 -4.746 4.506 9.231 221 H ILE 30 HN ILE 30 -3.251 1.057 5.022 222 HA ILE 30 HA ILE 30 -3.446 1.408 2.103 223 HB ILE 30 HB ILE 30 -1.521 -0.442 3.517 224 HG12 ILE 30 HG12 ILE 30 -0.996 2.172 2.086 225 HG13 ILE 30 HG11 ILE 30 -0.929 1.931 3.827 226 HG21 ILE 30 HG21 ILE 30 -1.845 0.274 0.606 227 HG22 ILE 30 HG22 ILE 30 -2.213 -1.280 1.353 228 HG23 ILE 30 HG23 ILE 30 -0.545 -0.714 1.271 229 HD11 ILE 30 HD11 ILE 30 0.900 0.299 3.470 230 HD12 ILE 30 HD12 ILE 30 1.288 1.942 2.965 231 HD13 ILE 30 HD13 ILE 30 0.881 0.723 1.758 232 H THR 31 HN THR 31 -4.744 -0.029 1.091 233 HA THR 31 HA THR 31 -5.911 -2.177 2.738 234 HB THR 31 HB THR 31 -6.977 -1.164 0.098 235 HG1 THR 31 HG1 THR 31 -7.250 -0.107 2.703 236 HG21 THR 31 HG21 THR 31 -9.080 -2.111 0.902 237 HG22 THR 31 HG22 THR 31 -8.305 -2.585 2.413 238 HG23 THR 31 HG23 THR 31 -7.815 -3.337 0.895 239 H VAL 32 HN VAL 32 -4.785 -4.048 2.418 240 HA VAL 32 HA VAL 32 -3.688 -4.470 -0.275 241 HB VAL 32 HB VAL 32 -1.900 -5.747 0.657 242 HG11 VAL 32 HG11 VAL 32 -2.319 -3.257 2.294 243 HG12 VAL 32 HG12 VAL 32 -1.578 -3.346 0.696 244 HG13 VAL 32 HG13 VAL 32 -0.786 -4.099 2.079 245 HG21 VAL 32 HG21 VAL 32 -3.217 -5.407 3.345 246 HG22 VAL 32 HG22 VAL 32 -1.646 -6.152 3.051 247 HG23 VAL 32 HG23 VAL 32 -3.112 -6.905 2.420 248 H LEU 33 HN LEU 33 -3.433 -6.712 -0.954 249 HA LEU 33 HA LEU 33 -5.289 -8.531 0.341 250 HB2 LEU 33 HB2 LEU 33 -6.046 -9.395 -1.882 251 HB3 LEU 33 HB1 LEU 33 -6.650 -7.823 -1.436 252 HG LEU 33 HG LEU 33 -6.172 -7.993 -3.820 253 HD11 LEU 33 HD11 LEU 33 -6.006 -5.811 -2.783 254 HD12 LEU 33 HD12 LEU 33 -4.861 -5.980 -4.113 255 HD13 LEU 33 HD13 LEU 33 -4.297 -6.089 -2.445 256 HD21 LEU 33 HD21 LEU 33 -4.331 -9.612 -3.692 257 HD22 LEU 33 HD22 LEU 33 -3.278 -8.332 -3.087 258 HD23 LEU 33 HD23 LEU 33 -3.962 -8.220 -4.707 259 H GLU 34 HN GLU 34 -4.906 -10.772 -0.148 260 HA GLU 34 HA GLU 34 -2.009 -11.182 -0.335 261 HB2 GLU 34 HB2 GLU 34 -2.827 -11.842 1.793 262 HB3 GLU 34 HB1 GLU 34 -4.207 -12.668 1.092 263 HG2 GLU 34 HG2 GLU 34 -2.669 -14.339 0.123 264 HG3 GLU 34 HG1 GLU 34 -1.329 -13.533 0.938 265 H GLN 35 HN GLN 35 -1.306 -12.003 -2.143 266 HA GLN 35 HA GLN 35 -3.132 -13.485 -3.879 267 HB2 GLN 35 HB2 GLN 35 -0.458 -12.180 -4.404 268 HB3 GLN 35 HB1 GLN 35 -1.329 -13.133 -5.599 269 HG2 GLN 35 HG2 GLN 35 -2.453 -10.685 -4.263 270 HG3 GLN 35 HG1 GLN 35 -1.608 -10.667 -5.811 271 HE21 GLN 35 HE21 GLN 35 -2.593 -11.536 -7.614 272 HE22 GLN 35 HE22 GLN 35 -4.283 -11.910 -7.661 273 H HIS 36 HN HIS 36 0.376 -13.685 -3.306 274 HA HIS 36 HA HIS 36 0.055 -16.601 -3.054 275 HB2 HIS 36 HB2 HIS 36 2.258 -15.120 -4.506 276 HB3 HIS 36 HB1 HIS 36 2.210 -16.858 -4.249 277 HD2 HIS 36 HD2 HIS 36 -0.502 -17.832 -5.343 278 HE1 HIS 36 HE1 HIS 36 0.124 -15.288 -8.661 279 HE2 HIS 36 HE2 HIS 36 -1.082 -17.352 -7.823 280 HA PRO 37 HA PRO 37 2.148 -15.859 0.815 281 HB2 PRO 37 HB2 PRO 37 2.517 -18.483 1.462 282 HB3 PRO 37 HB1 PRO 37 0.977 -17.642 1.661 283 HG2 PRO 37 HG2 PRO 37 1.871 -19.462 -0.535 284 HG3 PRO 37 HG1 PRO 37 0.302 -19.386 0.288 285 HD2 PRO 37 HD2 PRO 37 0.706 -18.298 -2.147 286 HD3 PRO 37 HD1 PRO 37 -0.409 -17.585 -0.966 287 H ASP 38 HN ASP 38 3.411 -17.117 -1.997 288 HA ASP 38 HA ASP 38 5.970 -17.990 -1.200 289 HB2 ASP 38 HB2 ASP 38 5.067 -16.753 -3.810 290 HB3 ASP 38 HB1 ASP 38 6.593 -17.592 -3.561 291 H GLY 39 HN GLY 39 4.545 -14.865 -1.531 292 HA2 GLY 39 HA2 GLY 39 5.780 -13.187 -0.149 293 HA3 GLY 39 HA1 GLY 39 7.197 -13.648 -1.078 294 H ARG 40 HN ARG 40 3.899 -13.070 -2.254 295 HA ARG 40 HA ARG 40 4.675 -10.489 -3.292 296 HB2 ARG 40 HB2 ARG 40 4.017 -11.060 -5.631 297 HB3 ARG 40 HB1 ARG 40 5.504 -11.819 -5.086 298 HG2 ARG 40 HG2 ARG 40 4.239 -13.901 -4.663 299 HG3 ARG 40 HG1 ARG 40 2.805 -13.121 -5.337 300 HD2 ARG 40 HD2 ARG 40 3.966 -12.800 -7.456 301 HD3 ARG 40 HD1 ARG 40 5.414 -13.547 -6.784 302 HE ARG 40 HE ARG 40 3.078 -15.220 -6.659 303 HH11 ARG 40 HH11 ARG 40 5.766 -14.198 -8.647 304 HH12 ARG 40 HH12 ARG 40 5.768 -15.637 -9.610 305 HH21 ARG 40 HH21 ARG 40 3.084 -17.128 -7.922 306 HH22 ARG 40 HH22 ARG 40 4.239 -17.300 -9.203 307 H TRP 41 HN TRP 41 3.110 -9.280 -2.617 308 HA TRP 41 HA TRP 41 0.319 -10.121 -3.066 309 HB2 TRP 41 HB2 TRP 41 1.428 -8.532 -0.738 310 HB3 TRP 41 HB1 TRP 41 -0.281 -8.788 -1.047 311 HD1 TRP 41 HD1 TRP 41 1.233 -12.010 -1.765 312 HE1 TRP 41 HE1 TRP 41 1.119 -13.575 0.274 313 HE3 TRP 41 HE3 TRP 41 0.070 -8.570 1.821 314 HZ2 TRP 41 HZ2 TRP 41 0.601 -13.365 3.048 315 HZ3 TRP 41 HZ3 TRP 41 -0.223 -9.325 4.136 316 HH2 TRP 41 HH2 TRP 41 0.034 -11.676 4.738 317 H LYS 42 HN LYS 42 -1.169 -8.228 -3.207 318 HA LYS 42 HA LYS 42 0.172 -5.828 -4.267 319 HB2 LYS 42 HB2 LYS 42 -2.485 -7.027 -5.067 320 HB3 LYS 42 HB1 LYS 42 -1.933 -5.442 -5.577 321 HG2 LYS 42 HG2 LYS 42 -0.057 -6.459 -6.750 322 HG3 LYS 42 HG1 LYS 42 -0.579 -8.057 -6.211 323 HD2 LYS 42 HD2 LYS 42 -2.664 -7.820 -7.429 324 HD3 LYS 42 HD1 LYS 42 -2.231 -6.177 -7.901 325 HE2 LYS 42 HE2 LYS 42 -0.703 -8.660 -8.670 326 HE3 LYS 42 HE1 LYS 42 -1.867 -7.833 -9.701 327 HZ1 LYS 42 HZ1 LYS 42 0.347 -7.155 -10.269 328 HZ2 LYS 42 HZ2 LYS 42 0.686 -6.719 -8.673 329 HZ3 LYS 42 HZ3 LYS 42 -0.452 -5.842 -9.565 330 H GLY 43 HN GLY 43 -0.918 -3.791 -3.817 331 HA2 GLY 43 HA2 GLY 43 -3.098 -3.846 -1.908 332 HA3 GLY 43 HA1 GLY 43 -1.577 -3.245 -1.272 333 H CYS 44 HN CYS 44 -4.168 -1.939 -1.661 334 HA CYS 44 HA CYS 44 -3.437 0.170 -3.573 335 HB2 CYS 44 HB2 CYS 44 -6.090 -0.366 -2.220 336 HB3 CYS 44 HB1 CYS 44 -5.785 0.846 -3.460 337 HG CYS 44 HG CYS 44 -6.318 -2.453 -3.773 338 H ILE 45 HN ILE 45 -3.591 2.368 -2.902 339 HA ILE 45 HA ILE 45 -2.905 2.662 -0.061 340 HB ILE 45 HB ILE 45 -2.416 4.549 -2.380 341 HG12 ILE 45 HG12 ILE 45 -1.097 2.467 -2.535 342 HG13 ILE 45 HG11 ILE 45 -0.077 3.871 -2.237 343 HG21 ILE 45 HG21 ILE 45 -1.431 4.671 0.467 344 HG22 ILE 45 HG22 ILE 45 -2.601 5.755 -0.287 345 HG23 ILE 45 HG23 ILE 45 -0.925 5.744 -0.839 346 HD11 ILE 45 HD11 ILE 45 -0.945 1.842 -0.193 347 HD12 ILE 45 HD12 ILE 45 0.050 3.262 0.130 348 HD13 ILE 45 HD13 ILE 45 0.655 1.980 -0.921 349 H HIS 46 HN HIS 46 -3.974 4.081 1.270 350 HA HIS 46 HA HIS 46 -6.446 5.242 0.191 351 HB2 HIS 46 HB2 HIS 46 -6.821 3.786 2.080 352 HB3 HIS 46 HB1 HIS 46 -5.562 4.585 3.010 353 HD2 HIS 46 HD2 HIS 46 -9.174 5.408 1.679 354 HE1 HIS 46 HE1 HIS 46 -8.302 7.765 5.082 355 HE2 HIS 46 HE2 HIS 46 -10.129 6.967 3.519 356 H ASP 47 HN ASP 47 -6.039 7.215 -0.564 357 HA ASP 47 HA ASP 47 -4.059 8.909 0.624 358 HB2 ASP 47 HB2 ASP 47 -4.486 10.441 -1.129 359 HB3 ASP 47 HB1 ASP 47 -4.632 8.847 -1.852 360 H ASN 48 HN ASN 48 -4.318 10.346 2.137 361 HA ASN 48 HA ASN 48 -6.882 11.622 2.597 362 HB2 ASN 48 HB2 ASN 48 -6.846 11.144 5.022 363 HB3 ASN 48 HB1 ASN 48 -6.993 9.667 4.077 364 HD21 ASN 48 HD21 ASN 48 -5.352 8.164 4.118 365 HD22 ASN 48 HD22 ASN 48 -4.025 8.264 5.225 366 H ARG 49 HN ARG 49 -4.223 12.288 1.603 367 HA ARG 49 HA ARG 49 -3.663 14.702 2.889 368 HB2 ARG 49 HB2 ARG 49 -2.886 13.213 4.722 369 HB3 ARG 49 HB1 ARG 49 -1.745 12.471 3.610 370 HG2 ARG 49 HG2 ARG 49 -0.494 14.489 3.425 371 HG3 ARG 49 HG1 ARG 49 -1.724 15.395 4.312 372 HD2 ARG 49 HD2 ARG 49 0.107 14.932 5.793 373 HD3 ARG 49 HD1 ARG 49 -1.279 13.970 6.288 374 HE ARG 49 HE ARG 49 1.091 12.931 4.869 375 HH11 ARG 49 HH11 ARG 49 -1.709 12.424 6.918 376 HH12 ARG 49 HH12 ARG 49 -1.248 10.818 7.377 377 HH21 ARG 49 HH21 ARG 49 1.721 10.823 5.508 378 HH22 ARG 49 HH22 ARG 49 0.701 9.906 6.575 379 H THR 50 HN THR 50 -1.847 11.991 1.482 380 HA THR 50 HA THR 50 -1.323 13.471 -0.948 381 HB THR 50 HB THR 50 1.069 12.409 0.563 382 HG1 THR 50 HG1 THR 50 -0.229 14.903 0.850 383 HG21 THR 50 HG21 THR 50 2.274 14.036 -0.867 384 HG22 THR 50 HG22 THR 50 0.745 14.443 -1.646 385 HG23 THR 50 HG23 THR 50 1.407 12.815 -1.798 386 H GLY 51 HN GLY 51 -0.374 12.002 -2.608 387 HA2 GLY 51 HA2 GLY 51 0.755 9.881 -3.015 388 HA3 GLY 51 HA1 GLY 51 -0.229 9.184 -1.741 389 H ASN 52 HN ASN 52 -2.564 10.759 -2.870 390 HA ASN 52 HA ASN 52 -4.365 10.321 -4.177 391 HB2 ASN 52 HB2 ASN 52 -2.277 9.337 -6.132 392 HB3 ASN 52 HB1 ASN 52 -3.964 9.639 -6.525 393 HD21 ASN 52 HD21 ASN 52 -4.078 12.016 -4.795 394 HD22 ASN 52 HD22 ASN 52 -3.224 13.251 -5.652 395 H ASP 53 HN ASP 53 -5.099 8.308 -5.853 396 HA ASP 53 HA ASP 53 -5.062 6.002 -4.033 397 HB2 ASP 53 HB2 ASP 53 -7.277 6.999 -4.521 398 HB3 ASP 53 HB1 ASP 53 -7.024 6.690 -6.234 399 H ARG 54 HN ARG 54 -3.611 4.538 -4.626 400 HA ARG 54 HA ARG 54 -3.452 3.708 -7.414 401 HB2 ARG 54 HB2 ARG 54 -0.965 3.871 -7.368 402 HB3 ARG 54 HB1 ARG 54 -1.771 5.432 -7.299 403 HG2 ARG 54 HG2 ARG 54 -1.476 5.341 -4.798 404 HG3 ARG 54 HG1 ARG 54 -0.423 3.949 -5.063 405 HD2 ARG 54 HD2 ARG 54 -0.038 6.680 -6.276 406 HD3 ARG 54 HD1 ARG 54 0.816 6.073 -4.860 407 HE ARG 54 HE ARG 54 1.431 4.202 -6.646 408 HH11 ARG 54 HH11 ARG 54 1.393 7.680 -6.940 409 HH12 ARG 54 HH12 ARG 54 2.674 7.731 -8.106 410 HH21 ARG 54 HH21 ARG 54 3.128 4.255 -8.189 411 HH22 ARG 54 HH22 ARG 54 3.644 5.782 -8.832 412 H VAL 55 HN VAL 55 -2.051 1.750 -7.663 413 HA VAL 55 HA VAL 55 -2.205 0.057 -5.259 414 HB VAL 55 HB VAL 55 -3.895 -0.572 -6.930 415 HG11 VAL 55 HG11 VAL 55 -3.198 -1.534 -9.088 416 HG12 VAL 55 HG12 VAL 55 -1.545 -1.011 -8.760 417 HG13 VAL 55 HG13 VAL 55 -2.829 0.184 -8.948 418 HG21 VAL 55 HG21 VAL 55 -3.328 -2.953 -7.135 419 HG22 VAL 55 HG22 VAL 55 -2.982 -2.323 -5.525 420 HG23 VAL 55 HG23 VAL 55 -1.668 -2.586 -6.669 421 H GLY 56 HN GLY 56 -0.516 -1.372 -4.869 422 HA2 GLY 56 HA2 GLY 56 1.724 -1.428 -6.759 423 HA3 GLY 56 HA1 GLY 56 2.041 -0.819 -5.139 424 H TYR 57 HN TYR 57 3.414 -3.024 -6.066 425 HA TYR 57 HA TYR 57 2.120 -5.267 -4.683 426 HB2 TYR 57 HB2 TYR 57 3.809 -6.689 -5.903 427 HB3 TYR 57 HB1 TYR 57 2.615 -5.901 -6.925 428 HD1 TYR 57 HD1 TYR 57 3.271 -4.395 -8.623 429 HD2 TYR 57 HD2 TYR 57 6.154 -5.774 -5.818 430 HE1 TYR 57 HE1 TYR 57 5.061 -3.444 -10.006 431 HE2 TYR 57 HE2 TYR 57 7.954 -4.820 -7.192 432 HH TYR 57 HH TYR 57 8.365 -4.145 -9.474 433 H PHE 58 HN PHE 58 3.259 -6.473 -3.157 434 HA PHE 58 HA PHE 58 5.895 -5.564 -2.335 435 HB2 PHE 58 HB2 PHE 58 5.251 -5.071 -0.038 436 HB3 PHE 58 HB1 PHE 58 4.359 -4.036 -1.144 437 HD1 PHE 58 HD1 PHE 58 1.993 -4.918 -1.829 438 HD2 PHE 58 HD2 PHE 58 4.108 -6.154 1.650 439 HE1 PHE 58 HE1 PHE 58 -0.120 -5.639 -0.803 440 HE2 PHE 58 HE2 PHE 58 1.999 -6.876 2.681 441 HZ PHE 58 HZ PHE 58 -0.104 -6.594 1.500 442 HA PRO 59 HA PRO 59 6.137 -9.848 -1.238 443 HB2 PRO 59 HB2 PRO 59 8.496 -9.870 0.012 444 HB3 PRO 59 HB1 PRO 59 8.382 -9.485 -1.710 445 HG2 PRO 59 HG2 PRO 59 8.688 -7.641 0.628 446 HG3 PRO 59 HG1 PRO 59 9.493 -7.591 -0.951 447 HD2 PRO 59 HD2 PRO 59 7.302 -6.062 -0.262 448 HD3 PRO 59 HD1 PRO 59 7.758 -6.476 -1.925 449 H SER 60 HN SER 60 4.361 -8.534 0.449 450 HA SER 60 HA SER 60 3.331 -8.700 2.460 451 HB2 SER 60 HB2 SER 60 3.916 -11.125 2.211 452 HB3 SER 60 HB1 SER 60 5.390 -10.819 3.126 453 HG SER 60 HG SER 60 4.008 -11.442 4.655 454 H SER 61 HN SER 61 3.884 -8.657 4.972 455 HA SER 61 HA SER 61 4.685 -7.411 6.685 456 HB2 SER 61 HB2 SER 61 7.312 -7.587 5.191 457 HB3 SER 61 HB1 SER 61 7.107 -7.194 6.898 458 HG SER 61 HG SER 61 5.835 -9.437 6.583 459 H LEU 62 HN LEU 62 3.279 -5.746 5.647 460 HA LEU 62 HA LEU 62 4.862 -3.464 4.684 461 HB2 LEU 62 HB2 LEU 62 3.246 -4.383 3.061 462 HB3 LEU 62 HB1 LEU 62 1.950 -4.078 4.200 463 HG LEU 62 HG LEU 62 2.426 -1.654 4.058 464 HD11 LEU 62 HD11 LEU 62 4.371 -2.487 1.912 465 HD12 LEU 62 HD12 LEU 62 4.774 -1.739 3.459 466 HD13 LEU 62 HD13 LEU 62 3.865 -0.832 2.249 467 HD21 LEU 62 HD21 LEU 62 1.528 -1.353 1.794 468 HD22 LEU 62 HD22 LEU 62 0.697 -2.635 2.675 469 HD23 LEU 62 HD23 LEU 62 1.888 -3.043 1.440 470 H GLY 63 HN GLY 63 1.824 -4.174 6.429 471 HA2 GLY 63 HA2 GLY 63 2.525 -2.147 8.400 472 HA3 GLY 63 HA1 GLY 63 1.089 -1.832 7.441 473 H GLU 64 HN GLU 64 0.519 -1.861 9.925 474 HA GLU 64 HA GLU 64 0.054 -4.455 11.066 475 HB2 GLU 64 HB2 GLU 64 -1.176 -1.824 11.887 476 HB3 GLU 64 HB1 GLU 64 -1.021 -3.274 12.866 477 HG2 GLU 64 HG2 GLU 64 1.413 -3.022 12.838 478 HG3 GLU 64 HG1 GLU 64 1.239 -1.547 11.885 479 H ALA 65 HN ALA 65 -1.582 -5.769 10.556 480 HA ALA 65 HA ALA 65 -3.668 -4.884 8.806 481 HB1 ALA 65 HB1 ALA 65 -2.677 -7.147 8.687 482 HB2 ALA 65 HB2 ALA 65 -4.435 -7.161 8.821 483 HB3 ALA 65 HB3 ALA 65 -3.439 -7.527 10.231 484 H ILE 66 HN ILE 66 -5.117 -3.548 9.631 485 HA ILE 66 HA ILE 66 -6.320 -4.107 12.241 486 HB ILE 66 HB ILE 66 -7.461 -1.915 11.934 487 HG12 ILE 66 HG12 ILE 66 -5.701 -1.692 9.480 488 HG13 ILE 66 HG11 ILE 66 -7.446 -1.924 9.451 489 HG21 ILE 66 HG21 ILE 66 -5.465 -0.551 12.294 490 HG22 ILE 66 HG22 ILE 66 -4.459 -1.857 11.668 491 HG23 ILE 66 HG23 ILE 66 -5.365 -2.081 13.165 492 HD11 ILE 66 HD11 ILE 66 -7.748 0.236 10.547 493 HD12 ILE 66 HD12 ILE 66 -6.849 0.391 9.037 494 HD13 ILE 66 HD13 ILE 66 -5.999 0.461 10.582 495 H VAL 67 HN VAL 67 -6.741 -4.998 9.160 496 HA VAL 67 HA VAL 67 -8.445 -5.564 7.772 497 HB VAL 67 HB VAL 67 -9.918 -7.337 8.783 498 HG11 VAL 67 HG11 VAL 67 -7.811 -7.816 7.663 499 HG12 VAL 67 HG12 VAL 67 -8.058 -8.906 9.028 500 HG13 VAL 67 HG13 VAL 67 -6.936 -7.551 9.171 501 HG21 VAL 67 HG21 VAL 67 -9.320 -8.175 11.002 502 HG22 VAL 67 HG22 VAL 67 -9.965 -6.538 11.094 503 HG23 VAL 67 HG23 VAL 67 -8.228 -6.808 11.226 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -7.416 -12.985 10.363 2 H2 GLY 1 HT2 GLY 1 -7.799 -12.298 8.866 3 H3 GLY 1 HT3 GLY 1 -6.653 -11.565 9.868 4 HA2 GLY 1 HA1 GLY 1 -5.154 -13.399 9.612 5 HA3 GLY 1 HA2 GLY 1 -6.353 -14.239 8.641 6 H SER 2 HN SER 2 -6.209 -14.030 6.523 7 HA SER 2 HA SER 2 -4.805 -11.691 5.422 8 HB2 SER 2 HB2 SER 2 -4.143 -13.292 3.543 9 HB3 SER 2 HB1 SER 2 -3.348 -13.552 5.096 10 HG SER 2 HG SER 2 -5.449 -15.035 3.909 11 H HIS 3 HN HIS 3 -5.336 -12.063 2.771 12 HA HIS 3 HA HIS 3 -6.867 -11.919 1.110 13 HB2 HIS 3 HB2 HIS 3 -8.675 -13.354 3.062 14 HB3 HIS 3 HB1 HIS 3 -9.067 -13.049 1.373 15 HD2 HIS 3 HD2 HIS 3 -7.974 -14.771 -0.438 16 HE1 HIS 3 HE1 HIS 3 -5.806 -17.066 2.379 17 HE2 HIS 3 HE2 HIS 3 -6.356 -16.760 -0.072 18 H MET 4 HN MET 4 -6.970 -9.749 1.047 19 HA MET 4 HA MET 4 -7.866 -7.678 1.098 20 HB2 MET 4 HB2 MET 4 -10.394 -9.162 1.829 21 HB3 MET 4 HB1 MET 4 -10.318 -7.481 1.317 22 HG2 MET 4 HG2 MET 4 -9.388 -8.192 -0.837 23 HG3 MET 4 HG1 MET 4 -9.517 -9.873 -0.324 24 HE1 MET 4 HE1 MET 4 -12.324 -9.653 -3.011 25 HE2 MET 4 HE2 MET 4 -10.904 -10.536 -2.451 26 HE3 MET 4 HE3 MET 4 -10.738 -8.885 -3.043 27 H LEU 5 HN LEU 5 -6.563 -7.059 2.814 28 HA LEU 5 HA LEU 5 -7.998 -6.612 5.327 29 HB2 LEU 5 HB2 LEU 5 -5.908 -7.086 6.583 30 HB3 LEU 5 HB1 LEU 5 -6.598 -8.501 5.813 31 HG LEU 5 HG LEU 5 -4.413 -7.001 4.421 32 HD11 LEU 5 HD11 LEU 5 -2.754 -8.399 5.564 33 HD12 LEU 5 HD12 LEU 5 -4.014 -8.995 6.645 34 HD13 LEU 5 HD13 LEU 5 -3.561 -7.290 6.671 35 HD21 LEU 5 HD21 LEU 5 -5.527 -8.795 3.222 36 HD22 LEU 5 HD22 LEU 5 -5.217 -9.906 4.554 37 HD23 LEU 5 HD23 LEU 5 -3.870 -9.264 3.611 38 H GLN 6 HN GLN 6 -7.119 -4.830 6.578 39 HA GLN 6 HA GLN 6 -5.845 -2.840 4.839 40 HB2 GLN 6 HB2 GLN 6 -7.985 -2.155 5.756 41 HB3 GLN 6 HB1 GLN 6 -7.446 -2.535 7.385 42 HG2 GLN 6 HG2 GLN 6 -5.761 -0.763 7.225 43 HG3 GLN 6 HG1 GLN 6 -6.342 -0.374 5.608 44 HE21 GLN 6 HE21 GLN 6 -6.247 1.268 8.029 45 HE22 GLN 6 HE22 GLN 6 -7.869 1.793 8.306 46 H VAL 7 HN VAL 7 -3.832 -2.196 5.215 47 HA VAL 7 HA VAL 7 -2.677 -2.788 7.857 48 HB VAL 7 HB VAL 7 -0.475 -3.033 6.809 49 HG11 VAL 7 HG11 VAL 7 -0.902 -5.181 5.604 50 HG12 VAL 7 HG12 VAL 7 -2.629 -4.837 5.722 51 HG13 VAL 7 HG13 VAL 7 -1.669 -5.057 7.184 52 HG21 VAL 7 HG21 VAL 7 -0.249 -3.238 4.384 53 HG22 VAL 7 HG22 VAL 7 -0.798 -1.629 4.852 54 HG23 VAL 7 HG23 VAL 7 -1.945 -2.797 4.190 55 H ARG 8 HN ARG 8 -1.512 -1.217 8.849 56 HA ARG 8 HA ARG 8 -1.497 1.429 7.556 57 HB2 ARG 8 HB2 ARG 8 -1.113 0.782 10.485 58 HB3 ARG 8 HB1 ARG 8 -1.308 2.376 9.778 59 HG2 ARG 8 HG2 ARG 8 -3.598 1.740 9.091 60 HG3 ARG 8 HG1 ARG 8 -3.387 0.208 9.941 61 HD2 ARG 8 HD2 ARG 8 -3.383 2.980 11.115 62 HD3 ARG 8 HD1 ARG 8 -4.553 1.694 11.395 63 HE ARG 8 HE ARG 8 -1.758 1.272 12.197 64 HH11 ARG 8 HH11 ARG 8 -5.108 1.800 13.095 65 HH12 ARG 8 HH12 ARG 8 -4.865 1.327 14.746 66 HH21 ARG 8 HH21 ARG 8 -1.439 0.653 14.367 67 HH22 ARG 8 HH22 ARG 8 -2.787 0.668 15.468 68 H ALA 9 HN ALA 9 0.408 1.765 6.570 69 HA ALA 9 HA ALA 9 2.808 0.613 7.814 70 HB1 ALA 9 HB1 ALA 9 2.439 1.557 4.978 71 HB2 ALA 9 HB2 ALA 9 2.318 -0.119 5.517 72 HB3 ALA 9 HB3 ALA 9 3.856 0.739 5.637 73 H THR 10 HN THR 10 4.277 1.904 8.695 74 HA THR 10 HA THR 10 4.223 4.748 7.959 75 HB THR 10 HB THR 10 5.676 4.998 10.044 76 HG1 THR 10 HG1 THR 10 5.923 2.521 10.039 77 HG21 THR 10 HG21 THR 10 3.751 4.904 11.570 78 HG22 THR 10 HG22 THR 10 2.854 3.981 10.364 79 HG23 THR 10 HG23 THR 10 3.329 5.645 10.026 80 H LYS 11 HN LYS 11 5.447 4.771 6.157 81 HA LYS 11 HA LYS 11 8.267 4.740 6.450 82 HB2 LYS 11 HB2 LYS 11 7.789 2.294 6.187 83 HB3 LYS 11 HB1 LYS 11 7.057 2.641 4.629 84 HG2 LYS 11 HG2 LYS 11 9.147 3.338 3.718 85 HG3 LYS 11 HG1 LYS 11 9.921 3.268 5.304 86 HD2 LYS 11 HD2 LYS 11 9.559 0.851 5.377 87 HD3 LYS 11 HD1 LYS 11 8.773 0.916 3.797 88 HE2 LYS 11 HE2 LYS 11 10.826 1.689 2.774 89 HE3 LYS 11 HE1 LYS 11 11.620 1.748 4.346 90 HZ1 LYS 11 HZ1 LYS 11 10.618 -0.696 2.988 91 HZ2 LYS 11 HZ2 LYS 11 11.344 -0.656 4.515 92 HZ3 LYS 11 HZ3 LYS 11 12.240 -0.235 3.142 93 H ASP 12 HN ASP 12 9.245 5.840 4.694 94 HA ASP 12 HA ASP 12 7.429 7.272 2.956 95 HB2 ASP 12 HB2 ASP 12 9.483 8.323 3.968 96 HB3 ASP 12 HB1 ASP 12 10.460 7.288 2.932 97 H TYR 13 HN TYR 13 6.553 5.522 1.781 98 HA TYR 13 HA TYR 13 8.423 3.836 0.283 99 HB2 TYR 13 HB2 TYR 13 6.407 3.080 1.851 100 HB3 TYR 13 HB1 TYR 13 5.496 3.294 0.364 101 HD1 TYR 13 HD1 TYR 13 8.093 1.303 2.041 102 HD2 TYR 13 HD2 TYR 13 5.790 1.814 -1.495 103 HE1 TYR 13 HE1 TYR 13 8.803 -0.926 1.265 104 HE2 TYR 13 HE2 TYR 13 6.484 -0.407 -2.280 105 HH TYR 13 HH TYR 13 8.350 -1.977 -1.935 106 H CYS 14 HN CYS 14 8.653 4.058 -1.829 107 HA CYS 14 HA CYS 14 8.350 4.592 -3.997 108 HB2 CYS 14 HB2 CYS 14 6.389 3.142 -3.764 109 HB3 CYS 14 HB1 CYS 14 5.418 4.523 -3.277 110 HG CYS 14 HG CYS 14 4.715 5.232 -5.631 111 H ASN 15 HN ASN 15 5.433 6.324 -3.213 112 HA ASN 15 HA ASN 15 4.792 8.401 -3.868 113 HB2 ASN 15 HB2 ASN 15 5.690 10.158 -2.392 114 HB3 ASN 15 HB1 ASN 15 5.245 8.697 -1.529 115 HD21 ASN 15 HD21 ASN 15 6.857 7.440 -0.591 116 HD22 ASN 15 HD22 ASN 15 8.455 8.057 -0.321 117 H ASN 16 HN ASN 16 5.783 7.878 -6.057 118 HA ASN 16 HA ASN 16 7.230 10.267 -6.840 119 HB2 ASN 16 HB2 ASN 16 8.904 9.070 -8.171 120 HB3 ASN 16 HB1 ASN 16 9.053 8.669 -6.466 121 HD21 ASN 16 HD21 ASN 16 8.529 6.607 -5.769 122 HD22 ASN 16 HD22 ASN 16 8.339 5.283 -6.870 123 H TYR 17 HN TYR 17 7.666 9.688 -9.499 124 HA TYR 17 HA TYR 17 5.003 10.119 -10.428 125 HB2 TYR 17 HB2 TYR 17 7.519 9.811 -12.069 126 HB3 TYR 17 HB1 TYR 17 6.008 10.546 -12.584 127 HD1 TYR 17 HD1 TYR 17 5.283 12.706 -11.528 128 HD2 TYR 17 HD2 TYR 17 9.162 11.068 -10.916 129 HE1 TYR 17 HE1 TYR 17 6.082 14.901 -10.768 130 HE2 TYR 17 HE2 TYR 17 9.971 13.263 -10.154 131 HH TYR 17 HH TYR 17 7.868 15.825 -9.383 132 H ASP 18 HN ASP 18 7.459 7.846 -11.681 133 HA ASP 18 HA ASP 18 5.233 6.045 -12.339 134 HB2 ASP 18 HB2 ASP 18 6.481 5.294 -14.301 135 HB3 ASP 18 HB1 ASP 18 6.207 7.029 -14.355 136 H LEU 19 HN LEU 19 5.238 4.574 -10.820 137 HA LEU 19 HA LEU 19 7.243 2.556 -10.865 138 HB2 LEU 19 HB2 LEU 19 8.251 4.251 -9.292 139 HB3 LEU 19 HB1 LEU 19 6.864 4.023 -8.245 140 HG LEU 19 HG LEU 19 7.504 1.619 -8.014 141 HD11 LEU 19 HD11 LEU 19 9.743 0.934 -8.679 142 HD12 LEU 19 HD12 LEU 19 10.005 2.498 -9.447 143 HD13 LEU 19 HD13 LEU 19 8.781 1.397 -10.081 144 HD21 LEU 19 HD21 LEU 19 9.604 3.625 -7.204 145 HD22 LEU 19 HD22 LEU 19 9.370 2.028 -6.494 146 HD23 LEU 19 HD23 LEU 19 8.122 3.262 -6.321 147 H THR 20 HN THR 20 6.413 0.610 -9.934 148 HA THR 20 HA THR 20 3.608 0.830 -9.089 149 HB THR 20 HB THR 20 5.106 -1.693 -9.835 150 HG1 THR 20 HG1 THR 20 5.035 -0.492 -11.697 151 HG21 THR 20 HG21 THR 20 2.157 -1.075 -9.609 152 HG22 THR 20 HG22 THR 20 3.103 -2.053 -8.487 153 HG23 THR 20 HG23 THR 20 2.843 -2.609 -10.140 154 H SER 21 HN SER 21 3.680 1.272 -6.992 155 HA SER 21 HA SER 21 4.558 -0.641 -5.083 156 HB2 SER 21 HB2 SER 21 6.126 1.937 -5.362 157 HB3 SER 21 HB1 SER 21 6.188 0.899 -3.937 158 HG SER 21 HG SER 21 6.609 -0.383 -6.348 159 H LEU 22 HN LEU 22 4.158 0.211 -2.859 160 HA LEU 22 HA LEU 22 1.668 1.587 -2.773 161 HB2 LEU 22 HB2 LEU 22 3.555 0.654 -0.611 162 HB3 LEU 22 HB1 LEU 22 2.010 1.396 -0.282 163 HG LEU 22 HG LEU 22 1.661 -0.917 -0.044 164 HD11 LEU 22 HD11 LEU 22 -0.073 0.229 -1.335 165 HD12 LEU 22 HD12 LEU 22 0.076 -1.473 -1.777 166 HD13 LEU 22 HD13 LEU 22 0.750 -0.227 -2.826 167 HD21 LEU 22 HD21 LEU 22 3.035 -1.326 -2.695 168 HD22 LEU 22 HD22 LEU 22 2.301 -2.586 -1.705 169 HD23 LEU 22 HD23 LEU 22 3.707 -1.705 -1.110 170 H ASN 23 HN ASN 23 1.431 3.736 -2.846 171 HA ASN 23 HA ASN 23 3.656 5.503 -2.368 172 HB2 ASN 23 HB2 ASN 23 0.799 5.936 -3.191 173 HB3 ASN 23 HB1 ASN 23 1.783 7.295 -2.659 174 HD21 ASN 23 HD21 ASN 23 0.671 7.015 -5.242 175 HD22 ASN 23 HD22 ASN 23 1.979 6.880 -6.369 176 H VAL 24 HN VAL 24 3.908 4.659 -0.156 177 HA VAL 24 HA VAL 24 1.962 5.621 1.791 178 HB VAL 24 HB VAL 24 4.537 4.131 2.308 179 HG11 VAL 24 HG11 VAL 24 3.493 3.537 4.430 180 HG12 VAL 24 HG12 VAL 24 2.067 4.478 3.998 181 HG13 VAL 24 HG13 VAL 24 3.615 5.289 4.246 182 HG21 VAL 24 HG21 VAL 24 1.761 3.016 1.919 183 HG22 VAL 24 HG22 VAL 24 3.172 2.100 2.452 184 HG23 VAL 24 HG23 VAL 24 3.137 2.804 0.836 185 H LYS 25 HN LYS 25 2.210 7.452 2.883 186 HA LYS 25 HA LYS 25 4.817 8.786 2.769 187 HB2 LYS 25 HB2 LYS 25 3.409 10.869 3.364 188 HB3 LYS 25 HB1 LYS 25 3.367 10.261 1.722 189 HG2 LYS 25 HG2 LYS 25 1.273 9.432 3.690 190 HG3 LYS 25 HG1 LYS 25 1.173 10.992 2.874 191 HD2 LYS 25 HD2 LYS 25 1.439 9.705 0.698 192 HD3 LYS 25 HD1 LYS 25 1.161 8.243 1.645 193 HE2 LYS 25 HE2 LYS 25 -0.985 9.268 2.428 194 HE3 LYS 25 HE1 LYS 25 -0.715 10.569 1.270 195 HZ1 LYS 25 HZ1 LYS 25 -2.058 9.109 0.118 196 HZ2 LYS 25 HZ2 LYS 25 -1.313 7.723 0.764 197 HZ3 LYS 25 HZ3 LYS 25 -0.517 8.648 -0.413 198 H ALA 26 HN ALA 26 4.931 6.989 4.543 199 HA ALA 26 HA ALA 26 5.227 6.435 6.722 200 HB1 ALA 26 HB1 ALA 26 5.606 9.407 7.008 201 HB2 ALA 26 HB2 ALA 26 6.838 8.248 6.505 202 HB3 ALA 26 HB3 ALA 26 6.168 8.176 8.135 203 H GLY 27 HN GLY 27 2.945 5.794 6.852 204 HA2 GLY 27 HA2 GLY 27 1.446 5.700 8.769 205 HA3 GLY 27 HA1 GLY 27 1.550 7.453 8.855 206 H ASP 28 HN ASP 28 0.921 5.163 6.216 207 HA ASP 28 HA ASP 28 -1.565 6.646 5.682 208 HB2 ASP 28 HB2 ASP 28 0.316 7.019 4.019 209 HB3 ASP 28 HB1 ASP 28 0.138 5.328 3.569 210 H ILE 29 HN ILE 29 -3.086 5.277 4.283 211 HA ILE 29 HA ILE 29 -3.298 2.721 5.718 212 HB ILE 29 HB ILE 29 -5.419 4.446 4.441 213 HG12 ILE 29 HG12 ILE 29 -4.603 5.374 6.526 214 HG13 ILE 29 HG11 ILE 29 -6.213 4.710 6.779 215 HG21 ILE 29 HG21 ILE 29 -5.998 2.101 4.191 216 HG22 ILE 29 HG22 ILE 29 -7.052 2.882 5.367 217 HG23 ILE 29 HG23 ILE 29 -5.741 1.839 5.916 218 HD11 ILE 29 HD11 ILE 29 -5.192 2.698 7.763 219 HD12 ILE 29 HD12 ILE 29 -4.802 4.173 8.645 220 HD13 ILE 29 HD13 ILE 29 -3.605 3.444 7.577 221 H ILE 30 HN ILE 30 -3.015 0.918 4.641 222 HA ILE 30 HA ILE 30 -3.321 0.980 1.712 223 HB ILE 30 HB ILE 30 -1.739 -1.089 3.204 224 HG12 ILE 30 HG12 ILE 30 -0.695 1.554 2.173 225 HG13 ILE 30 HG11 ILE 30 -0.866 1.118 3.867 226 HG21 ILE 30 HG21 ILE 30 -2.291 -1.564 0.888 227 HG22 ILE 30 HG22 ILE 30 -0.559 -1.276 1.062 228 HG23 ILE 30 HG23 ILE 30 -1.601 -0.020 0.391 229 HD11 ILE 30 HD11 ILE 30 0.769 -0.668 3.569 230 HD12 ILE 30 HD12 ILE 30 1.434 0.908 3.137 231 HD13 ILE 30 HD13 ILE 30 0.941 -0.219 1.872 232 H THR 31 HN THR 31 -4.781 -0.334 0.815 233 HA THR 31 HA THR 31 -6.023 -2.403 2.493 234 HB THR 31 HB THR 31 -7.012 -1.282 -0.144 235 HG1 THR 31 HG1 THR 31 -7.199 -0.348 2.439 236 HG21 THR 31 HG21 THR 31 -8.377 -2.994 1.940 237 HG22 THR 31 HG22 THR 31 -7.839 -3.530 0.350 238 HG23 THR 31 HG23 THR 31 -9.135 -2.344 0.488 239 H VAL 32 HN VAL 32 -4.937 -4.260 2.260 240 HA VAL 32 HA VAL 32 -3.767 -4.843 -0.375 241 HB VAL 32 HB VAL 32 -2.086 -6.169 0.717 242 HG11 VAL 32 HG11 VAL 32 -2.443 -3.536 2.129 243 HG12 VAL 32 HG12 VAL 32 -1.647 -3.788 0.578 244 HG13 VAL 32 HG13 VAL 32 -0.942 -4.460 2.049 245 HG21 VAL 32 HG21 VAL 32 -1.949 -6.413 3.135 246 HG22 VAL 32 HG22 VAL 32 -3.452 -7.102 2.515 247 HG23 VAL 32 HG23 VAL 32 -3.466 -5.531 3.317 248 H LEU 33 HN LEU 33 -3.677 -7.091 -1.022 249 HA LEU 33 HA LEU 33 -5.738 -8.743 0.211 250 HB2 LEU 33 HB2 LEU 33 -6.495 -9.446 -2.098 251 HB3 LEU 33 HB1 LEU 33 -7.006 -7.876 -1.540 252 HG LEU 33 HG LEU 33 -6.441 -7.965 -3.947 253 HD11 LEU 33 HD11 LEU 33 -5.099 -5.932 -4.027 254 HD12 LEU 33 HD12 LEU 33 -4.684 -6.142 -2.325 255 HD13 LEU 33 HD13 LEU 33 -6.357 -5.842 -2.794 256 HD21 LEU 33 HD21 LEU 33 -4.619 -9.575 -3.836 257 HD22 LEU 33 HD22 LEU 33 -3.612 -8.379 -3.019 258 HD23 LEU 33 HD23 LEU 33 -4.144 -8.101 -4.677 259 H GLU 34 HN GLU 34 -5.662 -11.036 -0.770 260 HA GLU 34 HA GLU 34 -2.839 -11.805 -0.524 261 HB2 GLU 34 HB2 GLU 34 -4.710 -12.514 1.139 262 HB3 GLU 34 HB1 GLU 34 -5.192 -13.635 -0.119 263 HG2 GLU 34 HG2 GLU 34 -2.447 -13.553 1.104 264 HG3 GLU 34 HG1 GLU 34 -3.746 -14.608 1.653 265 H GLN 35 HN GLN 35 -1.888 -12.445 -2.312 266 HA GLN 35 HA GLN 35 -3.516 -13.576 -4.491 267 HB2 GLN 35 HB2 GLN 35 -0.875 -12.107 -4.614 268 HB3 GLN 35 HB1 GLN 35 -1.680 -12.833 -5.995 269 HG2 GLN 35 HG2 GLN 35 -2.840 -10.639 -4.297 270 HG3 GLN 35 HG1 GLN 35 -1.996 -10.393 -5.824 271 HE21 GLN 35 HE21 GLN 35 -2.965 -11.074 -7.742 272 HE22 GLN 35 HE22 GLN 35 -4.665 -11.380 -7.845 273 H HIS 36 HN HIS 36 -0.155 -13.649 -3.333 274 HA HIS 36 HA HIS 36 -0.202 -16.557 -3.300 275 HB2 HIS 36 HB2 HIS 36 1.705 -14.917 -4.972 276 HB3 HIS 36 HB1 HIS 36 2.052 -16.572 -4.495 277 HD2 HIS 36 HD2 HIS 36 -0.083 -14.595 -7.034 278 HE1 HIS 36 HE1 HIS 36 -0.659 -18.732 -7.706 279 HE2 HIS 36 HE2 HIS 36 -0.913 -16.412 -8.690 280 HA PRO 37 HA PRO 37 2.043 -15.225 0.380 281 HB2 PRO 37 HB2 PRO 37 1.913 -17.581 1.684 282 HB3 PRO 37 HB1 PRO 37 0.523 -16.496 1.565 283 HG2 PRO 37 HG2 PRO 37 1.152 -18.949 -0.030 284 HG3 PRO 37 HG1 PRO 37 -0.395 -18.436 0.665 285 HD2 PRO 37 HD2 PRO 37 0.255 -18.080 -1.956 286 HD3 PRO 37 HD1 PRO 37 -0.841 -17.002 -1.072 287 H ASP 38 HN ASP 38 2.874 -17.355 -2.054 288 HA ASP 38 HA ASP 38 5.409 -18.179 -0.876 289 HB2 ASP 38 HB2 ASP 38 4.159 -19.840 -2.149 290 HB3 ASP 38 HB1 ASP 38 4.154 -18.787 -3.558 291 H GLY 39 HN GLY 39 4.116 -15.760 -2.928 292 HA2 GLY 39 HA2 GLY 39 6.840 -15.018 -3.778 293 HA3 GLY 39 HA1 GLY 39 5.421 -14.764 -4.781 294 H ARG 40 HN ARG 40 4.037 -13.051 -4.344 295 HA ARG 40 HA ARG 40 4.547 -11.345 -2.070 296 HB2 ARG 40 HB2 ARG 40 5.152 -9.373 -3.263 297 HB3 ARG 40 HB1 ARG 40 6.234 -10.644 -3.809 298 HG2 ARG 40 HG2 ARG 40 3.761 -9.851 -5.320 299 HG3 ARG 40 HG1 ARG 40 5.332 -9.095 -5.584 300 HD2 ARG 40 HD2 ARG 40 6.286 -11.229 -6.209 301 HD3 ARG 40 HD1 ARG 40 4.767 -12.043 -5.849 302 HE ARG 40 HE ARG 40 4.269 -10.039 -7.743 303 HH11 ARG 40 HH11 ARG 40 5.982 -13.081 -7.500 304 HH12 ARG 40 HH12 ARG 40 5.766 -13.482 -9.173 305 HH21 ARG 40 HH21 ARG 40 3.971 -10.561 -9.934 306 HH22 ARG 40 HH22 ARG 40 4.631 -12.037 -10.569 307 H TRP 41 HN TRP 41 3.005 -9.579 -1.940 308 HA TRP 41 HA TRP 41 0.479 -10.248 -3.298 309 HB2 TRP 41 HB2 TRP 41 0.981 -8.821 -0.679 310 HB3 TRP 41 HB1 TRP 41 -0.603 -9.020 -1.415 311 HD1 TRP 41 HD1 TRP 41 0.309 -12.209 -2.210 312 HE1 TRP 41 HE1 TRP 41 -0.052 -13.932 -0.326 313 HE3 TRP 41 HE3 TRP 41 0.048 -9.003 1.758 314 HZ2 TRP 41 HZ2 TRP 41 -0.380 -13.913 2.485 315 HZ3 TRP 41 HZ3 TRP 41 -0.293 -9.928 4.005 316 HH2 TRP 41 HH2 TRP 41 -0.505 -12.333 4.363 317 H LYS 42 HN LYS 42 -0.935 -8.367 -3.722 318 HA LYS 42 HA LYS 42 0.597 -5.906 -4.174 319 HB2 LYS 42 HB2 LYS 42 -0.916 -5.371 -6.018 320 HB3 LYS 42 HB1 LYS 42 -0.123 -6.914 -6.300 321 HG2 LYS 42 HG2 LYS 42 -2.115 -8.102 -5.646 322 HG3 LYS 42 HG1 LYS 42 -2.912 -6.588 -5.224 323 HD2 LYS 42 HD2 LYS 42 -2.761 -5.868 -7.564 324 HD3 LYS 42 HD1 LYS 42 -1.980 -7.395 -7.978 325 HE2 LYS 42 HE2 LYS 42 -3.957 -8.625 -7.309 326 HE3 LYS 42 HE1 LYS 42 -4.730 -7.134 -6.776 327 HZ1 LYS 42 HZ1 LYS 42 -5.548 -7.783 -8.930 328 HZ2 LYS 42 HZ2 LYS 42 -3.983 -7.814 -9.568 329 HZ3 LYS 42 HZ3 LYS 42 -4.666 -6.349 -9.075 330 H GLY 43 HN GLY 43 -0.464 -3.947 -3.682 331 HA2 GLY 43 HA2 GLY 43 -2.969 -4.211 -2.182 332 HA3 GLY 43 HA1 GLY 43 -1.575 -3.503 -1.379 333 H CYS 44 HN CYS 44 -4.094 -2.279 -1.860 334 HA CYS 44 HA CYS 44 -3.390 -0.190 -3.809 335 HB2 CYS 44 HB2 CYS 44 -5.573 -1.368 -4.108 336 HB3 CYS 44 HB1 CYS 44 -6.065 -0.780 -2.525 337 HG CYS 44 HG CYS 44 -7.038 0.587 -5.032 338 H ILE 45 HN ILE 45 -3.542 1.993 -3.163 339 HA ILE 45 HA ILE 45 -3.169 2.362 -0.279 340 HB ILE 45 HB ILE 45 -2.310 4.000 -2.661 341 HG12 ILE 45 HG12 ILE 45 -0.900 2.080 -1.998 342 HG13 ILE 45 HG11 ILE 45 -0.071 3.624 -1.810 343 HG21 ILE 45 HG21 ILE 45 -2.105 4.792 0.237 344 HG22 ILE 45 HG22 ILE 45 -3.131 5.554 -0.981 345 HG23 ILE 45 HG23 ILE 45 -1.373 5.647 -1.123 346 HD11 ILE 45 HD11 ILE 45 -0.556 3.573 0.591 347 HD12 ILE 45 HD12 ILE 45 0.390 2.186 0.065 348 HD13 ILE 45 HD13 ILE 45 -1.331 2.005 0.383 349 H HIS 46 HN HIS 46 -4.610 3.438 0.892 350 HA HIS 46 HA HIS 46 -6.629 5.031 -0.533 351 HB2 HIS 46 HB2 HIS 46 -7.546 3.229 0.903 352 HB3 HIS 46 HB1 HIS 46 -6.716 3.927 2.292 353 HD2 HIS 46 HD2 HIS 46 -9.212 5.498 -0.343 354 HE1 HIS 46 HE1 HIS 46 -10.326 6.606 3.583 355 HE2 HIS 46 HE2 HIS 46 -10.973 6.694 1.135 356 H ASP 47 HN ASP 47 -5.841 7.002 -0.722 357 HA ASP 47 HA ASP 47 -3.909 8.155 0.944 358 HB2 ASP 47 HB2 ASP 47 -4.341 8.855 -1.380 359 HB3 ASP 47 HB1 ASP 47 -5.881 9.544 -0.879 360 H ASN 48 HN ASN 48 -4.071 9.979 2.367 361 HA ASN 48 HA ASN 48 -6.682 10.204 3.693 362 HB2 ASN 48 HB2 ASN 48 -5.639 10.107 5.867 363 HB3 ASN 48 HB1 ASN 48 -5.139 8.690 4.952 364 HD21 ASN 48 HD21 ASN 48 -2.990 8.489 4.294 365 HD22 ASN 48 HD22 ASN 48 -1.742 9.515 4.938 366 H ARG 49 HN ARG 49 -4.720 11.920 1.873 367 HA ARG 49 HA ARG 49 -4.972 14.354 3.505 368 HB2 ARG 49 HB2 ARG 49 -2.671 13.425 3.754 369 HB3 ARG 49 HB1 ARG 49 -2.449 13.609 2.022 370 HG2 ARG 49 HG2 ARG 49 -2.784 16.034 2.253 371 HG3 ARG 49 HG1 ARG 49 -2.942 15.826 4.001 372 HD2 ARG 49 HD2 ARG 49 -0.671 14.856 4.053 373 HD3 ARG 49 HD1 ARG 49 -0.520 15.169 2.325 374 HE ARG 49 HE ARG 49 -1.187 17.535 3.762 375 HH11 ARG 49 HH11 ARG 49 1.467 15.412 2.935 376 HH12 ARG 49 HH12 ARG 49 2.681 16.628 3.168 377 HH21 ARG 49 HH21 ARG 49 0.410 19.141 4.067 378 HH22 ARG 49 HH22 ARG 49 2.083 18.749 3.817 379 H THR 50 HN THR 50 -3.413 13.660 0.364 380 HA THR 50 HA THR 50 -5.038 15.826 -0.766 381 HB THR 50 HB THR 50 -3.272 15.776 -2.608 382 HG1 THR 50 HG1 THR 50 -1.366 14.729 -2.154 383 HG21 THR 50 HG21 THR 50 -2.424 16.519 0.194 384 HG22 THR 50 HG22 THR 50 -3.366 17.528 -0.903 385 HG23 THR 50 HG23 THR 50 -1.696 17.118 -1.297 386 H GLY 51 HN GLY 51 -3.418 12.984 -2.161 387 HA2 GLY 51 HA2 GLY 51 -5.652 11.532 -2.893 388 HA3 GLY 51 HA1 GLY 51 -5.380 12.677 -4.196 389 H ASN 52 HN ASN 52 -3.032 10.969 -2.168 390 HA ASN 52 HA ASN 52 -1.702 10.071 -4.602 391 HB2 ASN 52 HB2 ASN 52 -0.807 10.006 -1.718 392 HB3 ASN 52 HB1 ASN 52 0.152 9.424 -3.074 393 HD21 ASN 52 HD21 ASN 52 -0.793 11.590 -4.822 394 HD22 ASN 52 HD22 ASN 52 0.052 13.005 -4.305 395 H ASP 53 HN ASP 53 -3.438 8.549 -5.041 396 HA ASP 53 HA ASP 53 -3.356 6.135 -3.366 397 HB2 ASP 53 HB2 ASP 53 -5.290 6.780 -5.605 398 HB3 ASP 53 HB1 ASP 53 -5.419 5.469 -4.441 399 H ARG 54 HN ARG 54 -2.735 4.176 -4.242 400 HA ARG 54 HA ARG 54 -2.031 3.879 -7.004 401 HB2 ARG 54 HB2 ARG 54 -0.184 5.312 -6.180 402 HB3 ARG 54 HB1 ARG 54 0.181 4.115 -4.950 403 HG2 ARG 54 HG2 ARG 54 1.768 3.885 -6.703 404 HG3 ARG 54 HG1 ARG 54 0.689 2.492 -6.769 405 HD2 ARG 54 HD2 ARG 54 -0.546 3.513 -8.592 406 HD3 ARG 54 HD1 ARG 54 0.463 4.952 -8.499 407 HE ARG 54 HE ARG 54 2.358 3.414 -9.098 408 HH11 ARG 54 HH11 ARG 54 -0.940 2.679 -10.036 409 HH12 ARG 54 HH12 ARG 54 -0.468 1.754 -11.423 410 HH21 ARG 54 HH21 ARG 54 2.972 2.203 -10.933 411 HH22 ARG 54 HH22 ARG 54 1.752 1.500 -11.947 412 H VAL 55 HN VAL 55 -1.567 1.716 -7.520 413 HA VAL 55 HA VAL 55 -1.762 -0.183 -5.293 414 HB VAL 55 HB VAL 55 -3.432 -0.503 -7.064 415 HG11 VAL 55 HG11 VAL 55 -2.758 -1.262 -9.302 416 HG12 VAL 55 HG12 VAL 55 -1.074 -0.945 -8.888 417 HG13 VAL 55 HG13 VAL 55 -2.229 0.384 -8.966 418 HG21 VAL 55 HG21 VAL 55 -1.358 -2.692 -6.974 419 HG22 VAL 55 HG22 VAL 55 -3.024 -2.887 -7.521 420 HG23 VAL 55 HG23 VAL 55 -2.691 -2.460 -5.841 421 H GLY 56 HN GLY 56 -0.120 -1.571 -4.841 422 HA2 GLY 56 HA2 GLY 56 2.132 -1.761 -6.697 423 HA3 GLY 56 HA1 GLY 56 2.464 -1.035 -5.130 424 H TYR 57 HN TYR 57 3.792 -3.322 -5.938 425 HA TYR 57 HA TYR 57 2.453 -5.466 -4.458 426 HB2 TYR 57 HB2 TYR 57 4.132 -6.972 -5.559 427 HB3 TYR 57 HB1 TYR 57 3.000 -6.196 -6.656 428 HD1 TYR 57 HD1 TYR 57 3.769 -4.443 -8.199 429 HD2 TYR 57 HD2 TYR 57 6.479 -6.463 -5.616 430 HE1 TYR 57 HE1 TYR 57 5.660 -3.590 -9.519 431 HE2 TYR 57 HE2 TYR 57 8.371 -5.617 -6.930 432 HH TYR 57 HH TYR 57 8.074 -3.136 -9.199 433 H PHE 58 HN PHE 58 3.513 -6.649 -2.907 434 HA PHE 58 HA PHE 58 6.102 -5.790 -1.922 435 HB2 PHE 58 HB2 PHE 58 5.280 -5.182 0.301 436 HB3 PHE 58 HB1 PHE 58 4.511 -4.162 -0.910 437 HD1 PHE 58 HD1 PHE 58 2.163 -4.794 -1.681 438 HD2 PHE 58 HD2 PHE 58 4.003 -6.433 1.789 439 HE1 PHE 58 HE1 PHE 58 -0.041 -5.472 -0.835 440 HE2 PHE 58 HE2 PHE 58 1.801 -7.110 2.639 441 HZ PHE 58 HZ PHE 58 -0.222 -6.633 1.329 442 HA PRO 59 HA PRO 59 6.440 -10.021 -0.720 443 HB2 PRO 59 HB2 PRO 59 7.237 -9.176 2.012 444 HB3 PRO 59 HB1 PRO 59 8.084 -10.215 0.864 445 HG2 PRO 59 HG2 PRO 59 8.905 -7.719 1.304 446 HG3 PRO 59 HG1 PRO 59 8.956 -8.424 -0.322 447 HD2 PRO 59 HD2 PRO 59 7.027 -6.458 0.833 448 HD3 PRO 59 HD1 PRO 59 7.701 -6.551 -0.807 449 H SER 60 HN SER 60 5.550 -8.543 2.402 450 HA SER 60 HA SER 60 2.863 -9.472 2.333 451 HB2 SER 60 HB2 SER 60 3.155 -11.105 4.252 452 HB3 SER 60 HB1 SER 60 3.783 -11.651 2.700 453 HG SER 60 HG SER 60 5.192 -10.747 4.976 454 H SER 61 HN SER 61 1.644 -8.694 4.059 455 HA SER 61 HA SER 61 1.031 -7.372 5.778 456 HB2 SER 61 HB2 SER 61 2.539 -8.744 7.136 457 HB3 SER 61 HB1 SER 61 3.892 -7.701 6.709 458 HG SER 61 HG SER 61 1.828 -6.249 7.698 459 H LEU 62 HN LEU 62 4.383 -6.222 5.492 460 HA LEU 62 HA LEU 62 5.292 -4.216 5.011 461 HB2 LEU 62 HB2 LEU 62 4.030 -4.334 2.918 462 HB3 LEU 62 HB1 LEU 62 2.645 -3.601 3.706 463 HG LEU 62 HG LEU 62 3.927 -1.533 4.053 464 HD11 LEU 62 HD11 LEU 62 6.091 -1.243 2.929 465 HD12 LEU 62 HD12 LEU 62 6.094 -2.958 2.518 466 HD13 LEU 62 HD13 LEU 62 6.161 -2.458 4.207 467 HD21 LEU 62 HD21 LEU 62 3.935 -2.514 1.202 468 HD22 LEU 62 HD22 LEU 62 4.017 -0.828 1.714 469 HD23 LEU 62 HD23 LEU 62 2.571 -1.780 2.045 470 H GLY 63 HN GLY 63 1.908 -3.774 6.025 471 HA2 GLY 63 HA2 GLY 63 2.912 -1.866 8.044 472 HA3 GLY 63 HA1 GLY 63 1.419 -1.587 7.162 473 H GLU 64 HN GLU 64 0.918 -1.426 9.615 474 HA GLU 64 HA GLU 64 0.594 -3.756 11.166 475 HB2 GLU 64 HB2 GLU 64 -1.081 -1.247 11.268 476 HB3 GLU 64 HB1 GLU 64 -0.863 -2.417 12.558 477 HG2 GLU 64 HG2 GLU 64 1.459 -1.794 12.781 478 HG3 GLU 64 HG1 GLU 64 1.311 -0.679 11.419 479 H ALA 65 HN ALA 65 -0.620 -5.454 10.574 480 HA ALA 65 HA ALA 65 -2.817 -5.151 8.749 481 HB1 ALA 65 HB1 ALA 65 -3.028 -7.569 8.898 482 HB2 ALA 65 HB2 ALA 65 -1.899 -7.600 10.251 483 HB3 ALA 65 HB3 ALA 65 -1.343 -7.109 8.651 484 H ILE 66 HN ILE 66 -4.438 -4.010 9.660 485 HA ILE 66 HA ILE 66 -5.553 -4.973 12.202 486 HB ILE 66 HB ILE 66 -6.848 -2.888 12.253 487 HG12 ILE 66 HG12 ILE 66 -5.326 -2.162 9.737 488 HG13 ILE 66 HG11 ILE 66 -7.042 -2.549 9.810 489 HG21 ILE 66 HG21 ILE 66 -4.958 -1.345 12.612 490 HG22 ILE 66 HG22 ILE 66 -3.888 -2.508 11.828 491 HG23 ILE 66 HG23 ILE 66 -4.694 -2.929 13.340 492 HD11 ILE 66 HD11 ILE 66 -7.420 -0.606 11.230 493 HD12 ILE 66 HD12 ILE 66 -6.682 -0.155 9.692 494 HD13 ILE 66 HD13 ILE 66 -5.702 -0.218 11.158 495 H VAL 67 HN VAL 67 -5.804 -6.066 9.396 496 HA VAL 67 HA VAL 67 -7.325 -6.843 7.912 497 HB VAL 67 HB VAL 67 -9.092 -8.276 8.969 498 HG11 VAL 67 HG11 VAL 67 -6.254 -8.575 9.938 499 HG12 VAL 67 HG12 VAL 67 -6.897 -9.123 8.390 500 HG13 VAL 67 HG13 VAL 67 -7.461 -9.858 9.891 501 HG21 VAL 67 HG21 VAL 67 -8.956 -8.666 11.388 502 HG22 VAL 67 HG22 VAL 67 -9.486 -7.023 11.025 503 HG23 VAL 67 HG23 VAL 67 -7.826 -7.322 11.539 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 -5.198 -18.894 0.012 2 H2 GLY 1 HT2 GLY 1 -5.672 -17.629 1.027 3 H3 GLY 1 HT3 GLY 1 -4.987 -17.288 -0.480 4 HA2 GLY 1 HA1 GLY 1 -6.882 -18.301 -1.590 5 HA3 GLY 1 HA2 GLY 1 -7.590 -18.628 -0.017 6 H SER 2 HN SER 2 -5.864 -15.750 -1.144 7 HA SER 2 HA SER 2 -6.430 -13.569 -1.270 8 HB2 SER 2 HB2 SER 2 -9.193 -14.663 -1.841 9 HB3 SER 2 HB1 SER 2 -8.660 -13.010 -2.153 10 HG SER 2 HG SER 2 -7.004 -14.923 -3.225 11 H HIS 3 HN HIS 3 -6.085 -14.204 1.236 12 HA HIS 3 HA HIS 3 -8.140 -13.900 3.068 13 HB2 HIS 3 HB2 HIS 3 -5.886 -14.507 3.748 14 HB3 HIS 3 HB1 HIS 3 -5.277 -12.933 3.245 15 HD2 HIS 3 HD2 HIS 3 -7.937 -14.175 5.903 16 HE1 HIS 3 HE1 HIS 3 -5.805 -10.833 7.384 17 HE2 HIS 3 HE2 HIS 3 -7.523 -12.613 7.934 18 H MET 4 HN MET 4 -5.951 -11.274 2.053 19 HA MET 4 HA MET 4 -6.281 -9.077 1.633 20 HB2 MET 4 HB2 MET 4 -8.200 -9.759 0.265 21 HB3 MET 4 HB1 MET 4 -9.226 -9.741 1.692 22 HG2 MET 4 HG2 MET 4 -8.839 -7.333 1.932 23 HG3 MET 4 HG1 MET 4 -7.835 -7.360 0.484 24 HE1 MET 4 HE1 MET 4 -11.035 -5.505 -0.780 25 HE2 MET 4 HE2 MET 4 -9.278 -5.447 -0.636 26 HE3 MET 4 HE3 MET 4 -10.285 -5.368 0.810 27 H LEU 5 HN LEU 5 -5.844 -7.575 3.033 28 HA LEU 5 HA LEU 5 -7.544 -7.140 5.347 29 HB2 LEU 5 HB2 LEU 5 -5.652 -7.153 6.923 30 HB3 LEU 5 HB1 LEU 5 -5.966 -8.738 6.243 31 HG LEU 5 HG LEU 5 -3.823 -6.990 5.071 32 HD11 LEU 5 HD11 LEU 5 -3.344 -7.059 7.447 33 HD12 LEU 5 HD12 LEU 5 -2.209 -8.084 6.567 34 HD13 LEU 5 HD13 LEU 5 -3.547 -8.811 7.457 35 HD21 LEU 5 HD21 LEU 5 -4.189 -9.980 5.275 36 HD22 LEU 5 HD22 LEU 5 -2.839 -9.162 4.493 37 HD23 LEU 5 HD23 LEU 5 -4.467 -8.998 3.839 38 H GLN 6 HN GLN 6 -6.947 -5.087 6.467 39 HA GLN 6 HA GLN 6 -5.599 -3.280 4.576 40 HB2 GLN 6 HB2 GLN 6 -8.032 -2.854 4.818 41 HB3 GLN 6 HB1 GLN 6 -7.780 -2.556 6.532 42 HG2 GLN 6 HG2 GLN 6 -6.535 -0.609 6.118 43 HG3 GLN 6 HG1 GLN 6 -6.343 -1.003 4.410 44 HE21 GLN 6 HE21 GLN 6 -8.484 0.252 6.840 45 HE22 GLN 6 HE22 GLN 6 -9.657 0.898 5.749 46 H VAL 7 HN VAL 7 -3.864 -2.293 5.252 47 HA VAL 7 HA VAL 7 -3.222 -2.452 8.120 48 HB VAL 7 HB VAL 7 -0.861 -2.680 7.504 49 HG11 VAL 7 HG11 VAL 7 -2.106 -4.715 7.872 50 HG12 VAL 7 HG12 VAL 7 -0.952 -4.964 6.564 51 HG13 VAL 7 HG13 VAL 7 -2.660 -4.720 6.198 52 HG21 VAL 7 HG21 VAL 7 -1.863 -2.772 4.658 53 HG22 VAL 7 HG22 VAL 7 -0.217 -3.137 5.171 54 HG23 VAL 7 HG23 VAL 7 -0.864 -1.508 5.378 55 H ARG 8 HN ARG 8 -2.223 -0.711 9.065 56 HA ARG 8 HA ARG 8 -1.901 1.689 7.395 57 HB2 ARG 8 HB2 ARG 8 -3.360 2.008 9.354 58 HB3 ARG 8 HB1 ARG 8 -2.074 1.438 10.410 59 HG2 ARG 8 HG2 ARG 8 -0.675 3.344 9.606 60 HG3 ARG 8 HG1 ARG 8 -2.095 3.948 8.753 61 HD2 ARG 8 HD2 ARG 8 -3.298 4.172 10.830 62 HD3 ARG 8 HD1 ARG 8 -1.965 3.437 11.720 63 HE ARG 8 HE ARG 8 -1.855 6.069 10.388 64 HH11 ARG 8 HH11 ARG 8 -0.726 3.824 12.829 65 HH12 ARG 8 HH12 ARG 8 0.226 5.010 13.662 66 HH21 ARG 8 HH21 ARG 8 -0.572 7.627 11.473 67 HH22 ARG 8 HH22 ARG 8 0.313 7.167 12.891 68 H ALA 9 HN ALA 9 0.108 1.916 6.697 69 HA ALA 9 HA ALA 9 2.261 0.717 8.293 70 HB1 ALA 9 HB1 ALA 9 2.246 1.456 5.372 71 HB2 ALA 9 HB2 ALA 9 2.027 -0.166 6.025 72 HB3 ALA 9 HB3 ALA 9 3.566 0.668 6.236 73 H THR 10 HN THR 10 3.839 1.924 9.111 74 HA THR 10 HA THR 10 3.905 4.766 8.385 75 HB THR 10 HB THR 10 5.340 4.982 10.462 76 HG1 THR 10 HG1 THR 10 5.778 2.632 10.508 77 HG21 THR 10 HG21 THR 10 2.538 3.917 10.830 78 HG22 THR 10 HG22 THR 10 2.971 5.589 10.468 79 HG23 THR 10 HG23 THR 10 3.441 4.871 12.010 80 H LYS 11 HN LYS 11 5.204 4.995 6.700 81 HA LYS 11 HA LYS 11 7.975 4.363 6.812 82 HB2 LYS 11 HB2 LYS 11 6.923 2.121 6.302 83 HB3 LYS 11 HB1 LYS 11 6.312 2.812 4.809 84 HG2 LYS 11 HG2 LYS 11 8.590 3.190 4.036 85 HG3 LYS 11 HG1 LYS 11 9.218 2.540 5.553 86 HD2 LYS 11 HD2 LYS 11 8.081 0.399 5.049 87 HD3 LYS 11 HD1 LYS 11 7.586 1.063 3.492 88 HE2 LYS 11 HE2 LYS 11 9.577 -0.334 3.266 89 HE3 LYS 11 HE1 LYS 11 9.923 1.344 2.857 90 HZ1 LYS 11 HZ1 LYS 11 11.658 0.355 4.235 91 HZ2 LYS 11 HZ2 LYS 11 10.537 0.055 5.461 92 HZ3 LYS 11 HZ3 LYS 11 10.909 1.645 5.030 93 H ASP 12 HN ASP 12 9.047 5.088 4.770 94 HA ASP 12 HA ASP 12 7.315 6.813 3.136 95 HB2 ASP 12 HB2 ASP 12 10.115 7.341 4.127 96 HB3 ASP 12 HB1 ASP 12 9.395 8.239 2.794 97 H TYR 13 HN TYR 13 7.014 5.355 1.523 98 HA TYR 13 HA TYR 13 9.416 4.378 0.133 99 HB2 TYR 13 HB2 TYR 13 8.266 2.641 1.568 100 HB3 TYR 13 HB1 TYR 13 6.869 2.799 0.516 101 HD1 TYR 13 HD1 TYR 13 10.479 1.945 0.506 102 HD2 TYR 13 HD2 TYR 13 6.728 1.528 -1.452 103 HE1 TYR 13 HE1 TYR 13 11.458 0.268 -1.003 104 HE2 TYR 13 HE2 TYR 13 7.694 -0.152 -2.967 105 HH TYR 13 HH TYR 13 9.903 -0.796 -3.829 106 H CYS 14 HN CYS 14 9.271 4.203 -2.092 107 HA CYS 14 HA CYS 14 8.621 4.675 -4.200 108 HB2 CYS 14 HB2 CYS 14 6.915 2.989 -3.759 109 HB3 CYS 14 HB1 CYS 14 5.859 4.211 -3.070 110 HG CYS 14 HG CYS 14 5.480 5.574 -5.479 111 H ASN 15 HN ASN 15 9.397 6.875 -3.271 112 HA ASN 15 HA ASN 15 7.299 8.894 -3.601 113 HB2 ASN 15 HB2 ASN 15 10.129 8.999 -2.582 114 HB3 ASN 15 HB1 ASN 15 9.315 10.469 -3.108 115 HD21 ASN 15 HD21 ASN 15 9.415 7.931 -0.738 116 HD22 ASN 15 HD22 ASN 15 8.372 8.694 0.411 117 H ASN 16 HN ASN 16 8.140 7.218 -5.765 118 HA ASN 16 HA ASN 16 9.892 8.765 -7.467 119 HB2 ASN 16 HB2 ASN 16 8.280 6.291 -8.136 120 HB3 ASN 16 HB1 ASN 16 9.613 6.956 -9.071 121 HD21 ASN 16 HD21 ASN 16 11.719 6.674 -8.350 122 HD22 ASN 16 HD22 ASN 16 12.121 5.517 -7.126 123 H TYR 17 HN TYR 17 8.951 8.755 -9.929 124 HA TYR 17 HA TYR 17 6.613 10.475 -9.771 125 HB2 TYR 17 HB2 TYR 17 8.436 9.819 -12.095 126 HB3 TYR 17 HB1 TYR 17 7.101 10.966 -12.155 127 HD1 TYR 17 HD1 TYR 17 7.203 13.013 -10.669 128 HD2 TYR 17 HD2 TYR 17 10.559 10.475 -11.303 129 HE1 TYR 17 HE1 TYR 17 8.697 14.805 -9.891 130 HE2 TYR 17 HE2 TYR 17 12.059 12.259 -10.525 131 HH TYR 17 HH TYR 17 12.005 14.780 -10.377 132 H ASP 18 HN ASP 18 7.622 7.803 -11.906 133 HA ASP 18 HA ASP 18 4.816 6.908 -11.936 134 HB2 ASP 18 HB2 ASP 18 6.739 6.907 -14.272 135 HB3 ASP 18 HB1 ASP 18 5.142 6.170 -14.280 136 H LEU 19 HN LEU 19 4.844 5.135 -10.713 137 HA LEU 19 HA LEU 19 6.291 2.830 -11.566 138 HB2 LEU 19 HB2 LEU 19 8.052 4.070 -10.315 139 HB3 LEU 19 HB1 LEU 19 7.030 4.026 -8.890 140 HG LEU 19 HG LEU 19 7.185 1.562 -8.870 141 HD11 LEU 19 HD11 LEU 19 9.099 1.970 -11.162 142 HD12 LEU 19 HD12 LEU 19 7.531 1.168 -11.238 143 HD13 LEU 19 HD13 LEU 19 8.842 0.455 -10.299 144 HD21 LEU 19 HD21 LEU 19 9.834 3.003 -8.917 145 HD22 LEU 19 HD22 LEU 19 9.529 1.436 -8.169 146 HD23 LEU 19 HD23 LEU 19 8.738 2.880 -7.543 147 H THR 20 HN THR 20 5.569 0.930 -10.480 148 HA THR 20 HA THR 20 3.142 1.331 -8.892 149 HB THR 20 HB THR 20 3.051 -1.288 -9.381 150 HG1 THR 20 HG1 THR 20 3.889 -0.908 -11.877 151 HG21 THR 20 HG21 THR 20 1.334 0.311 -10.033 152 HG22 THR 20 HG22 THR 20 1.675 -0.800 -11.361 153 HG23 THR 20 HG23 THR 20 2.322 0.842 -11.392 154 H SER 21 HN SER 21 3.700 1.483 -6.851 155 HA SER 21 HA SER 21 4.952 -0.687 -5.464 156 HB2 SER 21 HB2 SER 21 6.355 1.992 -5.662 157 HB3 SER 21 HB1 SER 21 6.765 0.740 -4.491 158 HG SER 21 HG SER 21 6.677 -0.299 -6.976 159 H LEU 22 HN LEU 22 5.025 -0.163 -3.088 160 HA LEU 22 HA LEU 22 2.532 0.983 -2.335 161 HB2 LEU 22 HB2 LEU 22 4.832 -0.047 -0.678 162 HB3 LEU 22 HB1 LEU 22 3.311 0.496 -0.002 163 HG LEU 22 HG LEU 22 3.194 -1.853 -0.043 164 HD11 LEU 22 HD11 LEU 22 1.160 -0.770 -0.808 165 HD12 LEU 22 HD12 LEU 22 1.378 -2.336 -1.591 166 HD13 LEU 22 HD13 LEU 22 1.731 -0.852 -2.476 167 HD21 LEU 22 HD21 LEU 22 4.113 -1.765 -2.910 168 HD22 LEU 22 HD22 LEU 22 3.618 -3.212 -2.035 169 HD23 LEU 22 HD23 LEU 22 5.053 -2.322 -1.527 170 H ASN 23 HN ASN 23 2.468 3.137 -2.740 171 HA ASN 23 HA ASN 23 4.536 4.941 -1.939 172 HB2 ASN 23 HB2 ASN 23 3.125 5.532 -3.816 173 HB3 ASN 23 HB1 ASN 23 1.681 5.438 -2.814 174 HD21 ASN 23 HD21 ASN 23 4.635 7.249 -3.407 175 HD22 ASN 23 HD22 ASN 23 4.082 8.728 -2.694 176 H VAL 24 HN VAL 24 4.751 4.218 0.234 177 HA VAL 24 HA VAL 24 2.663 5.110 2.079 178 HB VAL 24 HB VAL 24 5.299 3.906 2.894 179 HG11 VAL 24 HG11 VAL 24 3.994 3.120 4.820 180 HG12 VAL 24 HG12 VAL 24 2.557 3.893 4.149 181 HG13 VAL 24 HG13 VAL 24 3.935 4.876 4.650 182 HG21 VAL 24 HG21 VAL 24 4.449 2.354 1.271 183 HG22 VAL 24 HG22 VAL 24 2.839 2.410 1.996 184 HG23 VAL 24 HG23 VAL 24 4.181 1.683 2.881 185 H LYS 25 HN LYS 25 2.866 6.972 3.224 186 HA LYS 25 HA LYS 25 5.453 8.328 3.194 187 HB2 LYS 25 HB2 LYS 25 4.083 10.486 2.749 188 HB3 LYS 25 HB1 LYS 25 4.493 9.438 1.401 189 HG2 LYS 25 HG2 LYS 25 2.225 8.405 1.630 190 HG3 LYS 25 HG1 LYS 25 1.845 9.666 2.804 191 HD2 LYS 25 HD2 LYS 25 2.357 11.371 1.095 192 HD3 LYS 25 HD1 LYS 25 2.658 10.082 -0.073 193 HE2 LYS 25 HE2 LYS 25 0.419 10.997 -0.348 194 HE3 LYS 25 HE1 LYS 25 0.350 9.314 0.180 195 HZ1 LYS 25 HZ1 LYS 25 -1.209 10.891 1.328 196 HZ2 LYS 25 HZ2 LYS 25 0.149 11.589 2.061 197 HZ3 LYS 25 HZ3 LYS 25 -0.225 9.960 2.354 198 H ALA 26 HN ALA 26 5.944 8.361 5.236 199 HA ALA 26 HA ALA 26 5.936 8.733 7.461 200 HB1 ALA 26 HB1 ALA 26 4.485 10.422 8.420 201 HB2 ALA 26 HB2 ALA 26 3.484 10.416 6.966 202 HB3 ALA 26 HB3 ALA 26 5.152 10.984 6.886 203 H GLY 27 HN GLY 27 2.464 8.605 6.716 204 HA2 GLY 27 HA2 GLY 27 2.175 5.960 7.774 205 HA3 GLY 27 HA1 GLY 27 1.563 7.193 8.875 206 H ASP 28 HN ASP 28 0.742 5.187 6.344 207 HA ASP 28 HA ASP 28 -1.660 6.772 5.825 208 HB2 ASP 28 HB2 ASP 28 0.456 6.472 3.958 209 HB3 ASP 28 HB1 ASP 28 -0.920 5.550 3.360 210 H ILE 29 HN ILE 29 -3.130 5.397 4.266 211 HA ILE 29 HA ILE 29 -3.457 2.865 5.721 212 HB ILE 29 HB ILE 29 -5.529 4.432 4.178 213 HG12 ILE 29 HG12 ILE 29 -4.770 5.712 6.114 214 HG13 ILE 29 HG11 ILE 29 -6.399 5.107 6.386 215 HG21 ILE 29 HG21 ILE 29 -5.822 2.112 6.077 216 HG22 ILE 29 HG22 ILE 29 -6.039 2.062 4.329 217 HG23 ILE 29 HG23 ILE 29 -7.147 3.000 5.328 218 HD11 ILE 29 HD11 ILE 29 -5.481 3.307 7.772 219 HD12 ILE 29 HD12 ILE 29 -5.065 4.907 8.389 220 HD13 ILE 29 HD13 ILE 29 -3.860 3.956 7.520 221 H ILE 30 HN ILE 30 -3.278 1.008 4.691 222 HA ILE 30 HA ILE 30 -3.250 1.019 1.742 223 HB ILE 30 HB ILE 30 -1.525 -0.716 3.513 224 HG12 ILE 30 HG12 ILE 30 -0.729 1.795 2.024 225 HG13 ILE 30 HG11 ILE 30 -0.970 1.697 3.764 226 HG21 ILE 30 HG21 ILE 30 -1.508 -0.153 0.552 227 HG22 ILE 30 HG22 ILE 30 -1.908 -1.676 1.346 228 HG23 ILE 30 HG23 ILE 30 -0.257 -1.057 1.407 229 HD11 ILE 30 HD11 ILE 30 1.117 0.247 2.157 230 HD12 ILE 30 HD12 ILE 30 0.849 0.046 3.889 231 HD13 ILE 30 HD13 ILE 30 1.375 1.605 3.253 232 H THR 31 HN THR 31 -4.569 -0.421 0.819 233 HA THR 31 HA THR 31 -5.738 -2.531 2.503 234 HB THR 31 HB THR 31 -6.691 -1.675 -0.235 235 HG1 THR 31 HG1 THR 31 -7.716 -0.778 2.277 236 HG21 THR 31 HG21 THR 31 -7.487 -3.851 0.559 237 HG22 THR 31 HG22 THR 31 -8.803 -2.679 0.500 238 HG23 THR 31 HG23 THR 31 -8.068 -3.101 2.046 239 H VAL 32 HN VAL 32 -4.621 -4.395 2.344 240 HA VAL 32 HA VAL 32 -3.281 -4.944 -0.210 241 HB VAL 32 HB VAL 32 -1.665 -6.281 0.989 242 HG11 VAL 32 HG11 VAL 32 -0.569 -4.537 2.305 243 HG12 VAL 32 HG12 VAL 32 -2.071 -3.611 2.328 244 HG13 VAL 32 HG13 VAL 32 -1.232 -3.891 0.803 245 HG21 VAL 32 HG21 VAL 32 -3.129 -7.156 2.744 246 HG22 VAL 32 HG22 VAL 32 -3.165 -5.564 3.505 247 HG23 VAL 32 HG23 VAL 32 -1.651 -6.466 3.415 248 H LEU 33 HN LEU 33 -3.311 -7.016 -1.088 249 HA LEU 33 HA LEU 33 -5.247 -8.828 0.122 250 HB2 LEU 33 HB2 LEU 33 -6.089 -9.456 -2.146 251 HB3 LEU 33 HB1 LEU 33 -6.565 -7.883 -1.569 252 HG LEU 33 HG LEU 33 -6.130 -7.887 -3.963 253 HD11 LEU 33 HD11 LEU 33 -5.749 -5.823 -2.738 254 HD12 LEU 33 HD12 LEU 33 -4.661 -5.975 -4.118 255 HD13 LEU 33 HD13 LEU 33 -4.062 -6.279 -2.488 256 HD21 LEU 33 HD21 LEU 33 -4.434 -9.671 -3.984 257 HD22 LEU 33 HD22 LEU 33 -3.263 -8.526 -3.329 258 HD23 LEU 33 HD23 LEU 33 -3.975 -8.249 -4.919 259 H GLU 34 HN GLU 34 -5.047 -11.034 -0.463 260 HA GLU 34 HA GLU 34 -2.219 -11.704 -0.823 261 HB2 GLU 34 HB2 GLU 34 -2.924 -12.377 1.320 262 HB3 GLU 34 HB1 GLU 34 -4.466 -12.967 0.724 263 HG2 GLU 34 HG2 GLU 34 -2.148 -14.357 -0.390 264 HG3 GLU 34 HG1 GLU 34 -2.327 -14.520 1.356 265 H GLN 35 HN GLN 35 -1.595 -12.889 -2.494 266 HA GLN 35 HA GLN 35 -3.652 -14.281 -4.069 267 HB2 GLN 35 HB2 GLN 35 -1.250 -12.805 -5.157 268 HB3 GLN 35 HB1 GLN 35 -2.443 -13.677 -6.108 269 HG2 GLN 35 HG2 GLN 35 -4.165 -12.099 -5.346 270 HG3 GLN 35 HG1 GLN 35 -2.930 -11.211 -4.457 271 HE21 GLN 35 HE21 GLN 35 -4.226 -11.971 -7.572 272 HE22 GLN 35 HE22 GLN 35 -3.332 -10.784 -8.457 273 H HIS 36 HN HIS 36 -0.105 -13.993 -3.997 274 HA HIS 36 HA HIS 36 0.030 -16.934 -4.103 275 HB2 HIS 36 HB2 HIS 36 1.967 -14.856 -5.132 276 HB3 HIS 36 HB1 HIS 36 2.326 -16.575 -5.062 277 HD2 HIS 36 HD2 HIS 36 -0.044 -14.129 -7.013 278 HE1 HIS 36 HE1 HIS 36 0.291 -17.785 -9.118 279 HE2 HIS 36 HE2 HIS 36 -0.482 -15.374 -9.246 280 HA PRO 37 HA PRO 37 1.644 -16.394 0.093 281 HB2 PRO 37 HB2 PRO 37 1.931 -19.329 -0.199 282 HB3 PRO 37 HB1 PRO 37 1.119 -18.400 1.063 283 HG2 PRO 37 HG2 PRO 37 -0.283 -19.749 -0.762 284 HG3 PRO 37 HG1 PRO 37 -0.826 -18.165 -0.176 285 HD2 PRO 37 HD2 PRO 37 0.536 -18.873 -2.748 286 HD3 PRO 37 HD1 PRO 37 -0.792 -17.731 -2.451 287 H ASP 38 HN ASP 38 3.055 -17.575 -2.751 288 HA ASP 38 HA ASP 38 5.603 -18.364 -1.815 289 HB2 ASP 38 HB2 ASP 38 4.866 -17.212 -4.513 290 HB3 ASP 38 HB1 ASP 38 6.320 -18.125 -4.136 291 H GLY 39 HN GLY 39 4.103 -15.319 -2.053 292 HA2 GLY 39 HA2 GLY 39 5.299 -13.586 -0.760 293 HA3 GLY 39 HA1 GLY 39 6.730 -14.021 -1.679 294 H ARG 40 HN ARG 40 3.505 -13.698 -3.068 295 HA ARG 40 HA ARG 40 4.316 -11.111 -4.205 296 HB2 ARG 40 HB2 ARG 40 3.014 -13.351 -5.762 297 HB3 ARG 40 HB1 ARG 40 3.340 -11.740 -6.376 298 HG2 ARG 40 HG2 ARG 40 5.735 -12.117 -6.116 299 HG3 ARG 40 HG1 ARG 40 5.412 -13.735 -5.487 300 HD2 ARG 40 HD2 ARG 40 4.270 -14.269 -7.633 301 HD3 ARG 40 HD1 ARG 40 4.785 -12.698 -8.248 302 HE ARG 40 HE ARG 40 7.043 -14.034 -7.297 303 HH11 ARG 40 HH11 ARG 40 4.711 -14.293 -9.892 304 HH12 ARG 40 HH12 ARG 40 5.792 -15.153 -10.942 305 HH21 ARG 40 HH21 ARG 40 8.460 -15.164 -8.670 306 HH22 ARG 40 HH22 ARG 40 7.922 -15.660 -10.245 307 H TRP 41 HN TRP 41 2.983 -9.830 -3.130 308 HA TRP 41 HA TRP 41 0.088 -10.338 -3.336 309 HB2 TRP 41 HB2 TRP 41 1.647 -9.086 -1.067 310 HB3 TRP 41 HB1 TRP 41 -0.099 -8.986 -1.213 311 HD1 TRP 41 HD1 TRP 41 1.247 -12.374 -2.126 312 HE1 TRP 41 HE1 TRP 41 0.780 -14.020 -0.207 313 HE3 TRP 41 HE3 TRP 41 -0.241 -9.045 1.439 314 HZ2 TRP 41 HZ2 TRP 41 -0.106 -13.909 2.480 315 HZ3 TRP 41 HZ3 TRP 41 -0.883 -9.884 3.651 316 HH2 TRP 41 HH2 TRP 41 -0.821 -12.271 4.163 317 H LYS 42 HN LYS 42 -1.178 -8.308 -3.225 318 HA LYS 42 HA LYS 42 0.291 -6.034 -4.376 319 HB2 LYS 42 HB2 LYS 42 -2.533 -6.956 -4.902 320 HB3 LYS 42 HB1 LYS 42 -1.916 -5.394 -5.402 321 HG2 LYS 42 HG2 LYS 42 -0.358 -6.394 -6.893 322 HG3 LYS 42 HG1 LYS 42 -0.706 -8.005 -6.264 323 HD2 LYS 42 HD2 LYS 42 -1.810 -7.572 -8.429 324 HD3 LYS 42 HD1 LYS 42 -2.962 -7.898 -7.134 325 HE2 LYS 42 HE2 LYS 42 -3.288 -5.458 -6.872 326 HE3 LYS 42 HE1 LYS 42 -2.218 -5.197 -8.249 327 HZ1 LYS 42 HZ1 LYS 42 -3.761 -6.473 -9.617 328 HZ2 LYS 42 HZ2 LYS 42 -4.517 -5.129 -8.929 329 HZ3 LYS 42 HZ3 LYS 42 -4.795 -6.670 -8.295 330 H GLY 43 HN GLY 43 -0.168 -4.011 -3.594 331 HA2 GLY 43 HA2 GLY 43 -2.109 -3.865 -1.385 332 HA3 GLY 43 HA1 GLY 43 -0.500 -3.184 -1.212 333 H CYS 44 HN CYS 44 -3.424 -2.174 -1.432 334 HA CYS 44 HA CYS 44 -2.970 -0.164 -3.524 335 HB2 CYS 44 HB2 CYS 44 -5.518 -0.651 -1.981 336 HB3 CYS 44 HB1 CYS 44 -5.325 0.210 -3.506 337 HG CYS 44 HG CYS 44 -5.944 -2.976 -2.977 338 H ILE 45 HN ILE 45 -2.717 1.943 -3.009 339 HA ILE 45 HA ILE 45 -2.500 2.561 -0.142 340 HB ILE 45 HB ILE 45 -1.477 4.186 -2.474 341 HG12 ILE 45 HG12 ILE 45 -0.396 1.952 -2.405 342 HG13 ILE 45 HG11 ILE 45 0.728 3.260 -2.061 343 HG21 ILE 45 HG21 ILE 45 -0.849 4.283 0.471 344 HG22 ILE 45 HG22 ILE 45 -1.798 5.459 -0.440 345 HG23 ILE 45 HG23 ILE 45 -0.075 5.266 -0.773 346 HD11 ILE 45 HD11 ILE 45 -0.556 1.455 -0.030 347 HD12 ILE 45 HD12 ILE 45 0.574 2.762 0.321 348 HD13 ILE 45 HD13 ILE 45 1.108 1.361 -0.606 349 H HIS 46 HN HIS 46 -4.115 3.667 0.738 350 HA HIS 46 HA HIS 46 -5.692 5.422 -1.021 351 HB2 HIS 46 HB2 HIS 46 -6.483 4.123 1.597 352 HB3 HIS 46 HB1 HIS 46 -7.506 5.198 0.646 353 HD2 HIS 46 HD2 HIS 46 -6.052 1.573 0.490 354 HE1 HIS 46 HE1 HIS 46 -9.107 1.980 -2.409 355 HE2 HIS 46 HE2 HIS 46 -7.663 0.341 -1.130 356 H ASP 47 HN ASP 47 -4.824 7.346 -0.904 357 HA ASP 47 HA ASP 47 -3.353 8.317 1.299 358 HB2 ASP 47 HB2 ASP 47 -2.741 9.190 -0.778 359 HB3 ASP 47 HB1 ASP 47 -4.403 9.532 -1.231 360 H ASN 48 HN ASN 48 -4.044 9.036 3.128 361 HA ASN 48 HA ASN 48 -6.822 9.429 3.651 362 HB2 ASN 48 HB2 ASN 48 -6.168 9.771 5.951 363 HB3 ASN 48 HB1 ASN 48 -5.215 8.449 5.291 364 HD21 ASN 48 HD21 ASN 48 -2.996 8.801 4.827 365 HD22 ASN 48 HD22 ASN 48 -2.133 10.102 5.590 366 H ARG 49 HN ARG 49 -4.397 11.523 2.541 367 HA ARG 49 HA ARG 49 -5.427 13.872 3.888 368 HB2 ARG 49 HB2 ARG 49 -3.242 13.567 1.825 369 HB3 ARG 49 HB1 ARG 49 -3.649 15.071 2.643 370 HG2 ARG 49 HG2 ARG 49 -3.028 14.145 4.773 371 HG3 ARG 49 HG1 ARG 49 -2.766 12.559 4.047 372 HD2 ARG 49 HD2 ARG 49 -0.646 13.660 4.409 373 HD3 ARG 49 HD1 ARG 49 -0.955 13.508 2.683 374 HE ARG 49 HE ARG 49 -1.839 16.021 3.660 375 HH11 ARG 49 HH11 ARG 49 1.045 14.248 2.804 376 HH12 ARG 49 HH12 ARG 49 1.954 15.666 2.384 377 HH21 ARG 49 HH21 ARG 49 -0.647 17.902 3.130 378 HH22 ARG 49 HH22 ARG 49 0.992 17.745 2.582 379 H THR 50 HN THR 50 -4.808 13.231 0.420 380 HA THR 50 HA THR 50 -6.948 15.150 -0.182 381 HB THR 50 HB THR 50 -4.904 14.019 -2.094 382 HG1 THR 50 HG1 THR 50 -4.776 16.194 -0.282 383 HG21 THR 50 HG21 THR 50 -5.425 16.007 -3.413 384 HG22 THR 50 HG22 THR 50 -6.581 16.531 -2.186 385 HG23 THR 50 HG23 THR 50 -6.884 15.062 -3.115 386 H GLY 51 HN GLY 51 -5.872 11.867 -0.808 387 HA2 GLY 51 HA2 GLY 51 -7.631 10.167 -0.992 388 HA3 GLY 51 HA1 GLY 51 -8.525 11.307 -1.987 389 H ASN 52 HN ASN 52 -5.077 10.771 -2.258 390 HA ASN 52 HA ASN 52 -5.348 10.060 -5.028 391 HB2 ASN 52 HB2 ASN 52 -2.907 10.194 -3.252 392 HB3 ASN 52 HB1 ASN 52 -2.866 9.909 -4.988 393 HD21 ASN 52 HD21 ASN 52 -5.057 11.772 -5.515 394 HD22 ASN 52 HD22 ASN 52 -4.383 13.356 -5.331 395 H ASP 53 HN ASP 53 -4.613 8.114 -5.994 396 HA ASP 53 HA ASP 53 -4.686 5.798 -4.172 397 HB2 ASP 53 HB2 ASP 53 -5.657 6.035 -7.028 398 HB3 ASP 53 HB1 ASP 53 -5.528 4.511 -6.161 399 H ARG 54 HN ARG 54 -3.385 3.975 -4.742 400 HA ARG 54 HA ARG 54 -1.510 4.094 -6.906 401 HB2 ARG 54 HB2 ARG 54 -0.472 5.633 -5.220 402 HB3 ARG 54 HB1 ARG 54 -0.422 4.294 -4.088 403 HG2 ARG 54 HG2 ARG 54 1.744 4.558 -5.053 404 HG3 ARG 54 HG1 ARG 54 1.033 3.068 -5.673 405 HD2 ARG 54 HD2 ARG 54 2.152 4.334 -7.442 406 HD3 ARG 54 HD1 ARG 54 0.417 4.201 -7.732 407 HE ARG 54 HE ARG 54 0.877 6.591 -6.367 408 HH11 ARG 54 HH11 ARG 54 1.626 5.153 -9.468 409 HH12 ARG 54 HH12 ARG 54 1.624 6.667 -10.316 410 HH21 ARG 54 HH21 ARG 54 0.868 8.582 -7.474 411 HH22 ARG 54 HH22 ARG 54 1.203 8.624 -9.174 412 H VAL 55 HN VAL 55 -0.655 2.026 -7.315 413 HA VAL 55 HA VAL 55 -1.386 -0.037 -5.345 414 HB VAL 55 HB VAL 55 -2.831 -0.211 -7.308 415 HG11 VAL 55 HG11 VAL 55 -0.293 -0.580 -8.891 416 HG12 VAL 55 HG12 VAL 55 -1.381 0.804 -8.975 417 HG13 VAL 55 HG13 VAL 55 -1.933 -0.783 -9.509 418 HG21 VAL 55 HG21 VAL 55 -0.796 -2.431 -7.143 419 HG22 VAL 55 HG22 VAL 55 -2.388 -2.560 -7.889 420 HG23 VAL 55 HG23 VAL 55 -2.250 -2.261 -6.158 421 H GLY 56 HN GLY 56 0.136 -1.518 -4.803 422 HA2 GLY 56 HA2 GLY 56 2.657 -1.518 -6.325 423 HA3 GLY 56 HA1 GLY 56 2.698 -1.226 -4.591 424 H TYR 57 HN TYR 57 4.121 -3.315 -5.650 425 HA TYR 57 HA TYR 57 2.526 -5.674 -4.872 426 HB2 TYR 57 HB2 TYR 57 5.008 -5.710 -6.595 427 HB3 TYR 57 HB1 TYR 57 3.867 -7.019 -6.328 428 HD1 TYR 57 HD1 TYR 57 1.635 -6.953 -7.411 429 HD2 TYR 57 HD2 TYR 57 4.615 -4.036 -8.250 430 HE1 TYR 57 HE1 TYR 57 0.411 -6.292 -9.440 431 HE2 TYR 57 HE2 TYR 57 3.400 -3.366 -10.279 432 HH TYR 57 HH TYR 57 1.769 -4.346 -11.858 433 H PHE 58 HN PHE 58 3.295 -6.910 -3.206 434 HA PHE 58 HA PHE 58 6.046 -6.510 -2.317 435 HB2 PHE 58 HB2 PHE 58 5.478 -5.923 -0.054 436 HB3 PHE 58 HB1 PHE 58 4.656 -4.797 -1.124 437 HD1 PHE 58 HD1 PHE 58 2.186 -5.354 -1.700 438 HD2 PHE 58 HD2 PHE 58 4.306 -7.021 1.591 439 HE1 PHE 58 HE1 PHE 58 0.056 -5.890 -0.601 440 HE2 PHE 58 HE2 PHE 58 2.178 -7.561 2.692 441 HZ PHE 58 HZ PHE 58 0.051 -6.997 1.597 442 HA PRO 59 HA PRO 59 5.903 -10.804 -1.293 443 HB2 PRO 59 HB2 PRO 59 7.093 -10.273 1.357 444 HB3 PRO 59 HB1 PRO 59 7.712 -11.246 0.019 445 HG2 PRO 59 HG2 PRO 59 8.794 -8.876 0.638 446 HG3 PRO 59 HG1 PRO 59 8.656 -9.423 -1.043 447 HD2 PRO 59 HD2 PRO 59 6.972 -7.454 0.454 448 HD3 PRO 59 HD1 PRO 59 7.548 -7.400 -1.225 449 H SER 60 HN SER 60 5.538 -9.260 1.888 450 HA SER 60 HA SER 60 2.814 -9.742 2.279 451 HB2 SER 60 HB2 SER 60 3.027 -11.650 3.936 452 HB3 SER 60 HB1 SER 60 3.281 -12.106 2.254 453 HG SER 60 HG SER 60 5.084 -12.909 2.984 454 H SER 61 HN SER 61 2.291 -9.582 4.721 455 HA SER 61 HA SER 61 2.381 -8.291 6.586 456 HB2 SER 61 HB2 SER 61 4.539 -8.594 7.911 457 HB3 SER 61 HB1 SER 61 3.684 -10.064 7.455 458 HG SER 61 HG SER 61 5.611 -9.125 5.679 459 H LEU 62 HN LEU 62 2.156 -6.368 5.232 460 HA LEU 62 HA LEU 62 4.556 -4.841 4.694 461 HB2 LEU 62 HB2 LEU 62 2.726 -4.987 3.051 462 HB3 LEU 62 HB1 LEU 62 1.661 -4.179 4.183 463 HG LEU 62 HG LEU 62 3.111 -2.174 4.079 464 HD11 LEU 62 HD11 LEU 62 5.211 -3.240 3.484 465 HD12 LEU 62 HD12 LEU 62 4.782 -2.015 2.290 466 HD13 LEU 62 HD13 LEU 62 4.544 -3.724 1.925 467 HD21 LEU 62 HD21 LEU 62 2.421 -1.482 1.844 468 HD22 LEU 62 HD22 LEU 62 1.133 -2.367 2.665 469 HD23 LEU 62 HD23 LEU 62 2.095 -3.165 1.419 470 H GLY 63 HN GLY 63 1.465 -4.100 6.335 471 HA2 GLY 63 HA2 GLY 63 2.991 -2.267 8.080 472 HA3 GLY 63 HA1 GLY 63 1.440 -1.818 7.388 473 H GLU 64 HN GLU 64 0.704 -1.439 9.542 474 HA GLU 64 HA GLU 64 0.319 -3.820 11.199 475 HB2 GLU 64 HB2 GLU 64 -0.281 -0.907 11.760 476 HB3 GLU 64 HB1 GLU 64 -0.469 -2.225 12.909 477 HG2 GLU 64 HG2 GLU 64 1.910 -2.639 12.882 478 HG3 GLU 64 HG1 GLU 64 2.136 -1.406 11.642 479 H ALA 65 HN ALA 65 -1.497 -4.950 10.968 480 HA ALA 65 HA ALA 65 -3.550 -4.108 9.212 481 HB1 ALA 65 HB1 ALA 65 -2.904 -6.473 9.572 482 HB2 ALA 65 HB2 ALA 65 -4.638 -6.184 9.715 483 HB3 ALA 65 HB3 ALA 65 -3.657 -6.398 11.165 484 H ILE 66 HN ILE 66 -5.074 -2.702 9.608 485 HA ILE 66 HA ILE 66 -6.001 -2.330 12.369 486 HB ILE 66 HB ILE 66 -7.022 -0.218 11.542 487 HG12 ILE 66 HG12 ILE 66 -5.487 -0.821 9.001 488 HG13 ILE 66 HG11 ILE 66 -7.236 -0.888 9.164 489 HG21 ILE 66 HG21 ILE 66 -4.895 1.004 11.323 490 HG22 ILE 66 HG22 ILE 66 -4.057 -0.530 11.093 491 HG23 ILE 66 HG23 ILE 66 -4.861 -0.186 12.626 492 HD11 ILE 66 HD11 ILE 66 -6.518 1.165 8.092 493 HD12 ILE 66 HD12 ILE 66 -5.538 1.568 9.502 494 HD13 ILE 66 HD13 ILE 66 -7.295 1.494 9.640 495 H VAL 67 HN VAL 67 -6.822 -3.875 9.546 496 HA VAL 67 HA VAL 67 -9.616 -4.103 10.421 497 HB VAL 67 HB VAL 67 -8.681 -4.148 7.544 498 HG11 VAL 67 HG11 VAL 67 -10.563 -5.649 7.982 499 HG12 VAL 67 HG12 VAL 67 -11.043 -4.284 6.977 500 HG13 VAL 67 HG13 VAL 67 -11.464 -4.309 8.688 501 HG21 VAL 67 HG21 VAL 67 -10.280 -2.080 9.043 502 HG22 VAL 67 HG22 VAL 67 -10.005 -2.085 7.300 503 HG23 VAL 67 HG23 VAL 67 -8.646 -1.889 8.407 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 -5.681 -19.621 -2.519 2 H2 GLY 1 HT2 GLY 1 -4.431 -18.487 -2.446 3 H3 GLY 1 HT3 GLY 1 -5.865 -18.110 -3.258 4 HA2 GLY 1 HA1 GLY 1 -7.095 -18.229 -1.175 5 HA3 GLY 1 HA2 GLY 1 -5.584 -18.577 -0.345 6 H SER 2 HN SER 2 -7.617 -16.265 -0.383 7 HA SER 2 HA SER 2 -5.593 -14.155 -0.429 8 HB2 SER 2 HB2 SER 2 -6.935 -14.203 -2.598 9 HB3 SER 2 HB1 SER 2 -8.335 -13.746 -1.628 10 HG SER 2 HG SER 2 -6.004 -12.291 -2.211 11 H HIS 3 HN HIS 3 -5.569 -13.893 1.742 12 HA HIS 3 HA HIS 3 -7.711 -13.841 3.504 13 HB2 HIS 3 HB2 HIS 3 -5.307 -13.893 4.141 14 HB3 HIS 3 HB1 HIS 3 -5.175 -12.199 3.680 15 HD2 HIS 3 HD2 HIS 3 -7.273 -14.281 6.296 16 HE1 HIS 3 HE1 HIS 3 -6.432 -10.426 7.822 17 HE2 HIS 3 HE2 HIS 3 -7.669 -12.601 8.229 18 H MET 4 HN MET 4 -6.114 -11.027 1.989 19 HA MET 4 HA MET 4 -6.857 -8.953 1.425 20 HB2 MET 4 HB2 MET 4 -9.605 -10.123 1.885 21 HB3 MET 4 HB1 MET 4 -9.295 -8.530 1.208 22 HG2 MET 4 HG2 MET 4 -8.200 -9.514 -0.703 23 HG3 MET 4 HG1 MET 4 -8.390 -11.126 -0.012 24 HE1 MET 4 HE1 MET 4 -9.544 -11.975 -2.282 25 HE2 MET 4 HE2 MET 4 -9.283 -10.360 -2.944 26 HE3 MET 4 HE3 MET 4 -10.873 -11.115 -3.059 27 H LEU 5 HN LEU 5 -6.295 -7.429 2.818 28 HA LEU 5 HA LEU 5 -7.878 -6.997 5.206 29 HB2 LEU 5 HB2 LEU 5 -5.973 -7.083 6.733 30 HB3 LEU 5 HB1 LEU 5 -6.286 -8.643 6.004 31 HG LEU 5 HG LEU 5 -4.154 -6.827 4.902 32 HD11 LEU 5 HD11 LEU 5 -3.873 -8.819 7.149 33 HD12 LEU 5 HD12 LEU 5 -3.660 -7.069 7.265 34 HD13 LEU 5 HD13 LEU 5 -2.538 -8.035 6.305 35 HD21 LEU 5 HD21 LEU 5 -4.831 -8.749 3.540 36 HD22 LEU 5 HD22 LEU 5 -4.509 -9.826 4.899 37 HD23 LEU 5 HD23 LEU 5 -3.185 -8.940 4.142 38 H GLN 6 HN GLN 6 -7.254 -5.034 6.343 39 HA GLN 6 HA GLN 6 -6.006 -3.067 4.561 40 HB2 GLN 6 HB2 GLN 6 -8.333 -2.598 5.200 41 HB3 GLN 6 HB1 GLN 6 -7.892 -2.692 6.897 42 HG2 GLN 6 HG2 GLN 6 -6.496 -0.733 6.674 43 HG3 GLN 6 HG1 GLN 6 -6.837 -0.662 4.945 44 HE21 GLN 6 HE21 GLN 6 -7.371 1.297 7.080 45 HE22 GLN 6 HE22 GLN 6 -9.070 1.605 7.012 46 H VAL 7 HN VAL 7 -4.173 -2.040 5.209 47 HA VAL 7 HA VAL 7 -3.236 -2.570 7.952 48 HB VAL 7 HB VAL 7 -0.954 -2.900 7.142 49 HG11 VAL 7 HG11 VAL 7 -2.275 -4.881 7.466 50 HG12 VAL 7 HG12 VAL 7 -1.260 -5.095 6.041 51 HG13 VAL 7 HG13 VAL 7 -2.975 -4.728 5.855 52 HG21 VAL 7 HG21 VAL 7 -2.156 -2.706 4.382 53 HG22 VAL 7 HG22 VAL 7 -0.511 -3.228 4.741 54 HG23 VAL 7 HG23 VAL 7 -1.012 -1.581 5.115 55 H ARG 8 HN ARG 8 -1.622 -1.068 8.721 56 HA ARG 8 HA ARG 8 -1.420 1.421 7.164 57 HB2 ARG 8 HB2 ARG 8 -2.963 1.646 9.138 58 HB3 ARG 8 HB1 ARG 8 -1.596 1.280 10.181 59 HG2 ARG 8 HG2 ARG 8 -0.444 3.264 9.426 60 HG3 ARG 8 HG1 ARG 8 -1.734 3.607 8.273 61 HD2 ARG 8 HD2 ARG 8 -3.311 3.786 10.186 62 HD3 ARG 8 HD1 ARG 8 -1.939 3.600 11.279 63 HE ARG 8 HE ARG 8 -1.395 5.703 9.500 64 HH11 ARG 8 HH11 ARG 8 -3.524 4.946 12.176 65 HH12 ARG 8 HH12 ARG 8 -3.683 6.599 12.678 66 HH21 ARG 8 HH21 ARG 8 -1.590 7.875 10.166 67 HH22 ARG 8 HH22 ARG 8 -2.569 8.263 11.545 68 H ALA 9 HN ALA 9 0.631 1.804 6.641 69 HA ALA 9 HA ALA 9 2.712 0.416 8.200 70 HB1 ALA 9 HB1 ALA 9 2.384 -0.516 5.960 71 HB2 ALA 9 HB2 ALA 9 3.979 0.214 6.134 72 HB3 ALA 9 HB3 ALA 9 2.709 1.069 5.258 73 H THR 10 HN THR 10 4.419 1.564 8.943 74 HA THR 10 HA THR 10 4.610 4.355 8.070 75 HB THR 10 HB THR 10 6.174 4.582 10.055 76 HG1 THR 10 HG1 THR 10 6.588 2.864 11.216 77 HG21 THR 10 HG21 THR 10 3.338 3.720 10.633 78 HG22 THR 10 HG22 THR 10 3.844 5.335 10.132 79 HG23 THR 10 HG23 THR 10 4.362 4.694 11.691 80 H LYS 11 HN LYS 11 5.696 4.190 6.208 81 HA LYS 11 HA LYS 11 8.521 4.023 6.360 82 HB2 LYS 11 HB2 LYS 11 7.899 1.598 6.126 83 HB3 LYS 11 HB1 LYS 11 7.124 1.991 4.599 84 HG2 LYS 11 HG2 LYS 11 9.277 2.755 3.715 85 HG3 LYS 11 HG1 LYS 11 10.047 2.314 5.241 86 HD2 LYS 11 HD2 LYS 11 9.230 -0.023 4.869 87 HD3 LYS 11 HD1 LYS 11 8.707 0.482 3.262 88 HE2 LYS 11 HE2 LYS 11 11.524 0.511 4.343 89 HE3 LYS 11 HE1 LYS 11 10.876 -0.577 3.119 90 HZ1 LYS 11 HZ1 LYS 11 10.564 1.306 1.646 91 HZ2 LYS 11 HZ2 LYS 11 12.174 1.215 2.143 92 HZ3 LYS 11 HZ3 LYS 11 11.146 2.367 2.827 93 H ASP 12 HN ASP 12 9.421 5.177 4.648 94 HA ASP 12 HA ASP 12 7.546 6.516 2.892 95 HB2 ASP 12 HB2 ASP 12 10.545 6.746 3.215 96 HB3 ASP 12 HB1 ASP 12 9.627 7.662 2.023 97 H TYR 13 HN TYR 13 6.923 4.399 2.001 98 HA TYR 13 HA TYR 13 8.847 3.043 0.320 99 HB2 TYR 13 HB2 TYR 13 7.071 1.914 1.780 100 HB3 TYR 13 HB1 TYR 13 5.907 2.429 0.569 101 HD1 TYR 13 HD1 TYR 13 8.796 0.237 1.211 102 HD2 TYR 13 HD2 TYR 13 5.751 1.326 -1.550 103 HE1 TYR 13 HE1 TYR 13 9.290 -1.775 -0.115 104 HE2 TYR 13 HE2 TYR 13 6.231 -0.685 -2.879 105 HH TYR 13 HH TYR 13 8.181 -3.232 -1.723 106 H CYS 14 HN CYS 14 9.046 3.285 -1.788 107 HA CYS 14 HA CYS 14 8.777 3.945 -3.921 108 HB2 CYS 14 HB2 CYS 14 6.690 2.667 -3.835 109 HB3 CYS 14 HB1 CYS 14 5.839 4.081 -3.226 110 HG CYS 14 HG CYS 14 7.379 4.036 -6.280 111 H ASN 15 HN ASN 15 6.131 5.889 -2.580 112 HA ASN 15 HA ASN 15 5.556 8.036 -3.077 113 HB2 ASN 15 HB2 ASN 15 6.982 9.701 -1.952 114 HB3 ASN 15 HB1 ASN 15 6.668 8.296 -0.948 115 HD21 ASN 15 HD21 ASN 15 8.345 6.955 -0.385 116 HD22 ASN 15 HD22 ASN 15 10.003 7.374 -0.627 117 H ASN 16 HN ASN 16 6.399 6.950 -5.389 118 HA ASN 16 HA ASN 16 7.984 9.098 -6.635 119 HB2 ASN 16 HB2 ASN 16 9.224 6.963 -6.581 120 HB3 ASN 16 HB1 ASN 16 7.898 6.180 -7.432 121 HD21 ASN 16 HD21 ASN 16 7.616 6.556 -9.616 122 HD22 ASN 16 HD22 ASN 16 8.812 7.338 -10.591 123 H TYR 17 HN TYR 17 7.301 9.823 -8.683 124 HA TYR 17 HA TYR 17 4.549 10.094 -8.920 125 HB2 TYR 17 HB2 TYR 17 6.689 10.527 -11.001 126 HB3 TYR 17 HB1 TYR 17 5.020 11.056 -11.170 127 HD1 TYR 17 HD1 TYR 17 4.125 12.581 -9.221 128 HD2 TYR 17 HD2 TYR 17 8.243 11.987 -10.103 129 HE1 TYR 17 HE1 TYR 17 4.668 14.677 -8.057 130 HE2 TYR 17 HE2 TYR 17 8.798 14.080 -8.941 131 HH TYR 17 HH TYR 17 7.679 16.196 -8.334 132 H ASP 18 HN ASP 18 6.576 8.376 -11.334 133 HA ASP 18 HA ASP 18 4.197 6.734 -11.908 134 HB2 ASP 18 HB2 ASP 18 4.945 8.171 -13.781 135 HB3 ASP 18 HB1 ASP 18 6.513 7.375 -13.746 136 H LEU 19 HN LEU 19 4.463 4.998 -10.664 137 HA LEU 19 HA LEU 19 6.299 2.981 -11.494 138 HB2 LEU 19 HB2 LEU 19 6.768 4.420 -8.919 139 HB3 LEU 19 HB1 LEU 19 6.966 2.682 -8.928 140 HG LEU 19 HG LEU 19 8.493 4.639 -10.648 141 HD11 LEU 19 HD11 LEU 19 9.333 2.978 -8.277 142 HD12 LEU 19 HD12 LEU 19 9.164 4.733 -8.318 143 HD13 LEU 19 HD13 LEU 19 10.411 3.943 -9.284 144 HD21 LEU 19 HD21 LEU 19 8.689 1.640 -10.408 145 HD22 LEU 19 HD22 LEU 19 9.858 2.665 -11.241 146 HD23 LEU 19 HD23 LEU 19 8.201 2.558 -11.832 147 H THR 20 HN THR 20 5.699 0.890 -10.550 148 HA THR 20 HA THR 20 3.076 1.016 -9.238 149 HB THR 20 HB THR 20 3.046 -1.497 -9.771 150 HG1 THR 20 HG1 THR 20 5.412 -1.379 -10.344 151 HG21 THR 20 HG21 THR 20 3.039 0.510 -12.030 152 HG22 THR 20 HG22 THR 20 1.683 0.139 -10.964 153 HG23 THR 20 HG23 THR 20 2.294 -1.087 -12.076 154 H SER 21 HN SER 21 3.455 1.267 -7.173 155 HA SER 21 HA SER 21 4.483 -0.856 -5.580 156 HB2 SER 21 HB2 SER 21 6.085 1.709 -5.803 157 HB3 SER 21 HB1 SER 21 6.244 0.589 -4.454 158 HG SER 21 HG SER 21 6.448 -0.504 -7.006 159 H LEU 22 HN LEU 22 4.190 -0.326 -3.265 160 HA LEU 22 HA LEU 22 1.816 1.139 -2.811 161 HB2 LEU 22 HB2 LEU 22 3.863 -0.024 -0.933 162 HB3 LEU 22 HB1 LEU 22 2.441 0.821 -0.362 163 HG LEU 22 HG LEU 22 1.978 -1.496 -0.214 164 HD11 LEU 22 HD11 LEU 22 0.061 -1.756 -1.649 165 HD12 LEU 22 HD12 LEU 22 0.654 -0.489 -2.720 166 HD13 LEU 22 HD13 LEU 22 0.158 -0.091 -1.075 167 HD21 LEU 22 HD21 LEU 22 2.751 -1.759 -3.111 168 HD22 LEU 22 HD22 LEU 22 2.205 -3.051 -2.042 169 HD23 LEU 22 HD23 LEU 22 3.750 -2.252 -1.746 170 H ASN 23 HN ASN 23 1.762 3.268 -3.030 171 HA ASN 23 HA ASN 23 4.041 4.934 -2.496 172 HB2 ASN 23 HB2 ASN 23 2.274 5.345 -4.284 173 HB3 ASN 23 HB1 ASN 23 1.202 5.847 -2.981 174 HD21 ASN 23 HD21 ASN 23 1.543 7.796 -1.971 175 HD22 ASN 23 HD22 ASN 23 2.653 8.980 -2.575 176 H VAL 24 HN VAL 24 4.174 4.074 -0.262 177 HA VAL 24 HA VAL 24 2.173 5.007 1.620 178 HB VAL 24 HB VAL 24 4.791 3.657 2.274 179 HG11 VAL 24 HG11 VAL 24 2.174 3.797 3.769 180 HG12 VAL 24 HG12 VAL 24 3.633 4.715 4.150 181 HG13 VAL 24 HG13 VAL 24 3.632 2.957 4.303 182 HG21 VAL 24 HG21 VAL 24 2.139 2.371 1.631 183 HG22 VAL 24 HG22 VAL 24 3.542 1.534 2.300 184 HG23 VAL 24 HG23 VAL 24 3.626 2.247 0.688 185 H LYS 25 HN LYS 25 2.252 6.971 2.464 186 HA LYS 25 HA LYS 25 4.783 8.413 2.444 187 HB2 LYS 25 HB2 LYS 25 3.316 10.383 3.109 188 HB3 LYS 25 HB1 LYS 25 3.092 9.728 1.494 189 HG2 LYS 25 HG2 LYS 25 1.087 8.580 2.193 190 HG3 LYS 25 HG1 LYS 25 1.338 9.103 3.862 191 HD2 LYS 25 HD2 LYS 25 1.002 11.390 3.269 192 HD3 LYS 25 HD1 LYS 25 1.016 11.009 1.551 193 HE2 LYS 25 HE2 LYS 25 -1.054 10.006 3.497 194 HE3 LYS 25 HE1 LYS 25 -1.253 11.440 2.494 195 HZ1 LYS 25 HZ1 LYS 25 -1.348 8.618 1.754 196 HZ2 LYS 25 HZ2 LYS 25 -0.611 9.663 0.645 197 HZ3 LYS 25 HZ3 LYS 25 -2.208 9.946 1.126 198 H ALA 26 HN ALA 26 4.698 6.366 4.215 199 HA ALA 26 HA ALA 26 5.119 5.776 6.353 200 HB1 ALA 26 HB1 ALA 26 6.396 7.330 7.678 201 HB2 ALA 26 HB2 ALA 26 5.863 8.670 6.665 202 HB3 ALA 26 HB3 ALA 26 6.902 7.415 5.991 203 H GLY 27 HN GLY 27 3.092 5.197 7.084 204 HA2 GLY 27 HA2 GLY 27 1.774 5.369 9.074 205 HA3 GLY 27 HA1 GLY 27 1.947 7.118 8.991 206 H ASP 28 HN ASP 28 1.347 5.687 6.000 207 HA ASP 28 HA ASP 28 -1.332 6.821 5.985 208 HB2 ASP 28 HB2 ASP 28 0.528 7.143 4.180 209 HB3 ASP 28 HB1 ASP 28 -0.007 5.568 3.604 210 H ILE 29 HN ILE 29 -2.913 5.484 4.515 211 HA ILE 29 HA ILE 29 -3.077 2.872 5.847 212 HB ILE 29 HB ILE 29 -5.255 4.596 4.657 213 HG12 ILE 29 HG12 ILE 29 -4.614 3.894 7.530 214 HG13 ILE 29 HG11 ILE 29 -4.306 5.448 6.763 215 HG21 ILE 29 HG21 ILE 29 -5.790 2.237 4.396 216 HG22 ILE 29 HG22 ILE 29 -6.826 2.978 5.618 217 HG23 ILE 29 HG23 ILE 29 -5.470 1.961 6.108 218 HD11 ILE 29 HD11 ILE 29 -7.015 4.211 7.186 219 HD12 ILE 29 HD12 ILE 29 -6.691 5.785 6.460 220 HD13 ILE 29 HD13 ILE 29 -6.302 5.498 8.155 221 H ILE 30 HN ILE 30 -3.280 1.029 4.727 222 HA ILE 30 HA ILE 30 -3.309 1.216 1.785 223 HB ILE 30 HB ILE 30 -1.780 -0.870 3.326 224 HG12 ILE 30 HG12 ILE 30 -0.657 1.698 2.190 225 HG13 ILE 30 HG11 ILE 30 -0.950 1.413 3.903 226 HG21 ILE 30 HG21 ILE 30 -1.640 0.117 0.483 227 HG22 ILE 30 HG22 ILE 30 -2.270 -1.434 1.034 228 HG23 ILE 30 HG23 ILE 30 -0.550 -1.073 1.193 229 HD11 ILE 30 HD11 ILE 30 0.646 -0.444 3.848 230 HD12 ILE 30 HD12 ILE 30 1.381 1.087 3.371 231 HD13 ILE 30 HD13 ILE 30 0.958 -0.108 2.145 232 H THR 31 HN THR 31 -4.682 -0.142 0.770 233 HA THR 31 HA THR 31 -6.086 -2.162 2.389 234 HB THR 31 HB THR 31 -6.848 -1.080 -0.339 235 HG1 THR 31 HG1 THR 31 -8.136 -0.428 2.105 236 HG21 THR 31 HG21 THR 31 -7.775 -3.292 0.172 237 HG22 THR 31 HG22 THR 31 -9.039 -2.065 0.157 238 HG23 THR 31 HG23 THR 31 -8.420 -2.674 1.691 239 H VAL 32 HN VAL 32 -5.047 -4.095 2.239 240 HA VAL 32 HA VAL 32 -3.681 -4.676 -0.307 241 HB VAL 32 HB VAL 32 -2.044 -5.974 0.912 242 HG11 VAL 32 HG11 VAL 32 -2.451 -3.265 2.162 243 HG12 VAL 32 HG12 VAL 32 -1.608 -3.598 0.650 244 HG13 VAL 32 HG13 VAL 32 -0.949 -4.188 2.176 245 HG21 VAL 32 HG21 VAL 32 -3.535 -5.197 3.417 246 HG22 VAL 32 HG22 VAL 32 -2.005 -6.073 3.348 247 HG23 VAL 32 HG23 VAL 32 -3.474 -6.810 2.707 248 H LEU 33 HN LEU 33 -3.481 -6.892 -0.933 249 HA LEU 33 HA LEU 33 -5.344 -8.706 0.366 250 HB2 LEU 33 HB2 LEU 33 -6.062 -9.592 -1.877 251 HB3 LEU 33 HB1 LEU 33 -6.712 -8.044 -1.409 252 HG LEU 33 HG LEU 33 -6.201 -8.193 -3.804 253 HD11 LEU 33 HD11 LEU 33 -4.473 -6.196 -2.368 254 HD12 LEU 33 HD12 LEU 33 -6.185 -6.014 -2.748 255 HD13 LEU 33 HD13 LEU 33 -4.996 -6.100 -4.048 256 HD21 LEU 33 HD21 LEU 33 -4.262 -9.701 -3.627 257 HD22 LEU 33 HD22 LEU 33 -3.304 -8.350 -3.019 258 HD23 LEU 33 HD23 LEU 33 -3.971 -8.297 -4.651 259 H GLU 34 HN GLU 34 -4.997 -10.972 -0.313 260 HA GLU 34 HA GLU 34 -2.098 -11.412 -0.305 261 HB2 GLU 34 HB2 GLU 34 -3.116 -12.168 1.711 262 HB3 GLU 34 HB1 GLU 34 -4.426 -12.945 0.840 263 HG2 GLU 34 HG2 GLU 34 -2.857 -14.609 -0.029 264 HG3 GLU 34 HG1 GLU 34 -1.550 -13.833 0.868 265 H GLN 35 HN GLN 35 -1.170 -12.588 -1.897 266 HA GLN 35 HA GLN 35 -2.952 -14.073 -3.700 267 HB2 GLN 35 HB2 GLN 35 -0.654 -12.304 -4.548 268 HB3 GLN 35 HB1 GLN 35 -1.580 -13.346 -5.619 269 HG2 GLN 35 HG2 GLN 35 -3.621 -12.015 -4.846 270 HG3 GLN 35 HG1 GLN 35 -2.454 -10.857 -4.204 271 HE21 GLN 35 HE21 GLN 35 -3.801 -12.286 -7.050 272 HE22 GLN 35 HE22 GLN 35 -3.143 -11.161 -8.185 273 H HIS 36 HN HIS 36 0.560 -13.502 -3.466 274 HA HIS 36 HA HIS 36 0.924 -16.377 -3.888 275 HB2 HIS 36 HB2 HIS 36 2.894 -14.103 -4.169 276 HB3 HIS 36 HB1 HIS 36 3.228 -15.790 -4.539 277 HD2 HIS 36 HD2 HIS 36 1.418 -12.710 -6.051 278 HE1 HIS 36 HE1 HIS 36 1.351 -15.859 -8.874 279 HE2 HIS 36 HE2 HIS 36 0.687 -13.455 -8.430 280 HA PRO 37 HA PRO 37 2.005 -16.657 0.489 281 HB2 PRO 37 HB2 PRO 37 2.647 -19.417 -0.357 282 HB3 PRO 37 HB1 PRO 37 1.580 -18.858 0.932 283 HG2 PRO 37 HG2 PRO 37 0.590 -19.893 -1.321 284 HG3 PRO 37 HG1 PRO 37 -0.207 -18.533 -0.505 285 HD2 PRO 37 HD2 PRO 37 1.542 -18.525 -2.935 286 HD3 PRO 37 HD1 PRO 37 0.061 -17.604 -2.609 287 H ASP 38 HN ASP 38 3.865 -17.021 -2.312 288 HA ASP 38 HA ASP 38 6.379 -17.765 -1.273 289 HB2 ASP 38 HB2 ASP 38 5.851 -15.896 -3.592 290 HB3 ASP 38 HB1 ASP 38 7.298 -16.851 -3.314 291 H GLY 39 HN GLY 39 4.503 -14.953 -0.983 292 HA2 GLY 39 HA2 GLY 39 5.105 -13.263 0.631 293 HA3 GLY 39 HA1 GLY 39 6.787 -13.497 0.171 294 H ARG 40 HN ARG 40 3.906 -13.117 -1.821 295 HA ARG 40 HA ARG 40 4.803 -10.481 -2.670 296 HB2 ARG 40 HB2 ARG 40 5.822 -12.089 -4.256 297 HB3 ARG 40 HB1 ARG 40 4.220 -12.707 -4.629 298 HG2 ARG 40 HG2 ARG 40 3.567 -10.577 -5.553 299 HG3 ARG 40 HG1 ARG 40 5.117 -9.871 -5.091 300 HD2 ARG 40 HD2 ARG 40 6.250 -11.503 -6.562 301 HD3 ARG 40 HD1 ARG 40 4.671 -12.096 -7.075 302 HE ARG 40 HE ARG 40 4.362 -9.605 -7.744 303 HH11 ARG 40 HH11 ARG 40 7.277 -11.519 -8.043 304 HH12 ARG 40 HH12 ARG 40 7.879 -10.622 -9.403 305 HH21 ARG 40 HH21 ARG 40 5.166 -8.407 -9.518 306 HH22 ARG 40 HH22 ARG 40 6.680 -8.847 -10.237 307 H TRP 41 HN TRP 41 3.105 -9.355 -2.075 308 HA TRP 41 HA TRP 41 0.423 -10.311 -2.830 309 HB2 TRP 41 HB2 TRP 41 1.226 -8.656 -0.426 310 HB3 TRP 41 HB1 TRP 41 -0.428 -9.036 -0.874 311 HD1 TRP 41 HD1 TRP 41 1.422 -12.117 -1.460 312 HE1 TRP 41 HE1 TRP 41 1.256 -13.707 0.558 313 HE3 TRP 41 HE3 TRP 41 -0.399 -8.836 2.000 314 HZ2 TRP 41 HZ2 TRP 41 0.443 -13.577 3.260 315 HZ3 TRP 41 HZ3 TRP 41 -0.849 -9.643 4.271 316 HH2 TRP 41 HH2 TRP 41 -0.440 -11.968 4.891 317 H LYS 42 HN LYS 42 -1.142 -8.475 -3.063 318 HA LYS 42 HA LYS 42 0.194 -6.124 -4.224 319 HB2 LYS 42 HB2 LYS 42 -1.108 -7.767 -5.762 320 HB3 LYS 42 HB1 LYS 42 -2.541 -7.075 -5.026 321 HG2 LYS 42 HG2 LYS 42 -1.863 -4.855 -5.811 322 HG3 LYS 42 HG1 LYS 42 -0.450 -5.576 -6.586 323 HD2 LYS 42 HD2 LYS 42 -2.011 -7.027 -7.894 324 HD3 LYS 42 HD1 LYS 42 -3.352 -6.107 -7.217 325 HE2 LYS 42 HE2 LYS 42 -2.843 -5.244 -9.397 326 HE3 LYS 42 HE1 LYS 42 -2.366 -4.050 -8.192 327 HZ1 LYS 42 HZ1 LYS 42 -0.503 -5.973 -9.473 328 HZ2 LYS 42 HZ2 LYS 42 -0.088 -4.696 -8.442 329 HZ3 LYS 42 HZ3 LYS 42 -0.714 -4.372 -9.977 330 H GLY 43 HN GLY 43 -0.882 -4.092 -3.890 331 HA2 GLY 43 HA2 GLY 43 -3.202 -4.034 -2.165 332 HA3 GLY 43 HA1 GLY 43 -1.719 -3.477 -1.406 333 H CYS 44 HN CYS 44 -4.058 -1.957 -1.847 334 HA CYS 44 HA CYS 44 -3.051 0.039 -3.764 335 HB2 CYS 44 HB2 CYS 44 -5.863 -0.252 -2.686 336 HB3 CYS 44 HB1 CYS 44 -5.329 0.855 -3.946 337 HG CYS 44 HG CYS 44 -6.479 -2.179 -4.248 338 H ILE 45 HN ILE 45 -3.155 2.256 -3.087 339 HA ILE 45 HA ILE 45 -2.791 2.503 -0.185 340 HB ILE 45 HB ILE 45 -1.988 4.351 -2.445 341 HG12 ILE 45 HG12 ILE 45 -0.667 2.256 -2.265 342 HG13 ILE 45 HG11 ILE 45 0.290 3.700 -1.945 343 HG21 ILE 45 HG21 ILE 45 -0.776 5.639 -0.751 344 HG22 ILE 45 HG22 ILE 45 -1.450 4.606 0.509 345 HG23 ILE 45 HG23 ILE 45 -2.514 5.634 -0.452 346 HD11 ILE 45 HD11 ILE 45 -0.836 1.832 0.120 347 HD12 ILE 45 HD12 ILE 45 0.106 3.284 0.452 348 HD13 ILE 45 HD13 ILE 45 0.845 1.929 -0.400 349 H HIS 46 HN HIS 46 -4.179 3.645 1.020 350 HA HIS 46 HA HIS 46 -6.321 5.055 -0.410 351 HB2 HIS 46 HB2 HIS 46 -7.003 3.200 1.121 352 HB3 HIS 46 HB1 HIS 46 -6.291 4.092 2.462 353 HD2 HIS 46 HD2 HIS 46 -7.862 6.015 3.566 354 HE1 HIS 46 HE1 HIS 46 -11.020 5.710 0.769 355 HE2 HIS 46 HE2 HIS 46 -10.339 6.585 3.046 356 H ASP 47 HN ASP 47 -5.720 7.084 -0.665 357 HA ASP 47 HA ASP 47 -3.962 8.417 1.136 358 HB2 ASP 47 HB2 ASP 47 -3.885 8.969 -1.215 359 HB3 ASP 47 HB1 ASP 47 -5.583 9.437 -1.200 360 H ASN 48 HN ASN 48 -4.387 10.075 2.552 361 HA ASN 48 HA ASN 48 -7.192 10.225 3.411 362 HB2 ASN 48 HB2 ASN 48 -4.630 10.362 4.994 363 HB3 ASN 48 HB1 ASN 48 -6.184 10.841 5.665 364 HD21 ASN 48 HD21 ASN 48 -4.232 8.172 4.547 365 HD22 ASN 48 HD22 ASN 48 -5.244 6.925 5.187 366 H ARG 49 HN ARG 49 -4.937 12.018 1.814 367 HA ARG 49 HA ARG 49 -6.369 14.452 2.391 368 HB2 ARG 49 HB2 ARG 49 -4.668 14.404 4.186 369 HB3 ARG 49 HB1 ARG 49 -3.406 14.346 2.965 370 HG2 ARG 49 HG2 ARG 49 -4.188 16.521 2.103 371 HG3 ARG 49 HG1 ARG 49 -5.364 16.583 3.417 372 HD2 ARG 49 HD2 ARG 49 -3.541 16.491 5.047 373 HD3 ARG 49 HD1 ARG 49 -2.369 16.437 3.730 374 HE ARG 49 HE ARG 49 -4.121 18.702 3.581 375 HH11 ARG 49 HH11 ARG 49 -1.169 17.464 4.996 376 HH12 ARG 49 HH12 ARG 49 -0.508 19.038 5.301 377 HH21 ARG 49 HH21 ARG 49 -3.259 20.768 3.971 378 HH22 ARG 49 HH22 ARG 49 -1.699 20.920 4.716 379 H THR 50 HN THR 50 -3.057 14.087 1.141 380 HA THR 50 HA THR 50 -3.969 14.433 -1.585 381 HB THR 50 HB THR 50 -3.984 16.746 -0.745 382 HG1 THR 50 HG1 THR 50 -1.743 16.378 -2.467 383 HG21 THR 50 HG21 THR 50 -1.903 17.858 -0.084 384 HG22 THR 50 HG22 THR 50 -1.042 16.325 -0.206 385 HG23 THR 50 HG23 THR 50 -2.295 16.536 1.016 386 H GLY 51 HN GLY 51 -2.537 12.405 -0.174 387 HA2 GLY 51 HA2 GLY 51 0.240 12.703 -1.061 388 HA3 GLY 51 HA1 GLY 51 -0.387 11.434 -0.018 389 H ASN 52 HN ASN 52 -2.550 11.770 -2.430 390 HA ASN 52 HA ASN 52 -3.053 10.753 -4.384 391 HB2 ASN 52 HB2 ASN 52 -0.086 10.228 -4.591 392 HB3 ASN 52 HB1 ASN 52 -1.255 9.918 -5.869 393 HD21 ASN 52 HD21 ASN 52 -2.794 12.353 -5.186 394 HD22 ASN 52 HD22 ASN 52 -1.860 13.671 -5.804 395 H ASP 53 HN ASP 53 -3.926 8.844 -4.848 396 HA ASP 53 HA ASP 53 -3.122 6.579 -3.167 397 HB2 ASP 53 HB2 ASP 53 -5.378 5.705 -3.514 398 HB3 ASP 53 HB1 ASP 53 -5.449 7.347 -2.894 399 H ARG 54 HN ARG 54 -2.161 4.889 -4.079 400 HA ARG 54 HA ARG 54 -2.459 4.430 -6.956 401 HB2 ARG 54 HB2 ARG 54 0.183 4.726 -5.510 402 HB3 ARG 54 HB1 ARG 54 0.009 4.159 -7.166 403 HG2 ARG 54 HG2 ARG 54 -0.870 6.278 -7.863 404 HG3 ARG 54 HG1 ARG 54 -0.914 6.852 -6.196 405 HD2 ARG 54 HD2 ARG 54 1.520 6.720 -6.079 406 HD3 ARG 54 HD1 ARG 54 1.574 6.124 -7.740 407 HE ARG 54 HE ARG 54 0.334 8.381 -8.168 408 HH11 ARG 54 HH11 ARG 54 2.991 7.828 -5.957 409 HH12 ARG 54 HH12 ARG 54 3.591 9.447 -6.082 410 HH21 ARG 54 HH21 ARG 54 1.137 10.515 -8.331 411 HH22 ARG 54 HH22 ARG 54 2.544 10.969 -7.425 412 H VAL 55 HN VAL 55 -1.462 2.288 -7.603 413 HA VAL 55 HA VAL 55 -1.908 0.355 -5.432 414 HB VAL 55 HB VAL 55 -3.540 0.198 -7.267 415 HG11 VAL 55 HG11 VAL 55 -1.148 -0.413 -8.994 416 HG12 VAL 55 HG12 VAL 55 -2.218 0.983 -9.121 417 HG13 VAL 55 HG13 VAL 55 -2.831 -0.631 -9.477 418 HG21 VAL 55 HG21 VAL 55 -2.959 -1.808 -6.005 419 HG22 VAL 55 HG22 VAL 55 -1.671 -2.166 -7.157 420 HG23 VAL 55 HG23 VAL 55 -3.357 -2.196 -7.680 421 H GLY 56 HN GLY 56 -0.450 -1.283 -5.059 422 HA2 GLY 56 HA2 GLY 56 1.893 -1.525 -6.775 423 HA3 GLY 56 HA1 GLY 56 2.186 -0.887 -5.163 424 H TYR 57 HN TYR 57 3.422 -3.183 -5.958 425 HA TYR 57 HA TYR 57 1.993 -5.266 -4.461 426 HB2 TYR 57 HB2 TYR 57 3.766 -6.785 -5.575 427 HB3 TYR 57 HB1 TYR 57 2.437 -6.192 -6.562 428 HD1 TYR 57 HD1 TYR 57 2.821 -4.743 -8.411 429 HD2 TYR 57 HD2 TYR 57 6.037 -5.789 -5.829 430 HE1 TYR 57 HE1 TYR 57 4.416 -3.805 -10.027 431 HE2 TYR 57 HE2 TYR 57 7.640 -4.850 -7.439 432 HH TYR 57 HH TYR 57 7.743 -4.376 -9.866 433 H PHE 58 HN PHE 58 3.116 -6.430 -2.854 434 HA PHE 58 HA PHE 58 5.703 -5.358 -2.011 435 HB2 PHE 58 HB2 PHE 58 4.952 -4.941 0.269 436 HB3 PHE 58 HB1 PHE 58 4.009 -3.978 -0.858 437 HD1 PHE 58 HD1 PHE 58 1.707 -4.935 -1.556 438 HD2 PHE 58 HD2 PHE 58 3.896 -6.248 1.849 439 HE1 PHE 58 HE1 PHE 58 -0.363 -5.810 -0.568 440 HE2 PHE 58 HE2 PHE 58 1.828 -7.131 2.843 441 HZ PHE 58 HZ PHE 58 -0.305 -6.911 1.634 442 HA PRO 59 HA PRO 59 6.357 -9.584 -1.013 443 HB2 PRO 59 HB2 PRO 59 8.553 -9.420 0.504 444 HB3 PRO 59 HB1 PRO 59 8.575 -8.967 -1.203 445 HG2 PRO 59 HG2 PRO 59 8.429 -7.217 1.217 446 HG3 PRO 59 HG1 PRO 59 9.372 -7.000 -0.267 447 HD2 PRO 59 HD2 PRO 59 6.971 -5.754 0.246 448 HD3 PRO 59 HD1 PRO 59 7.617 -6.050 -1.378 449 H SER 60 HN SER 60 4.274 -8.652 0.517 450 HA SER 60 HA SER 60 3.018 -9.057 2.332 451 HB2 SER 60 HB2 SER 60 3.361 -11.133 3.565 452 HB3 SER 60 HB1 SER 60 3.571 -11.393 1.839 453 HG SER 60 HG SER 60 5.952 -10.815 2.717 454 H SER 61 HN SER 61 2.824 -8.964 4.664 455 HA SER 61 HA SER 61 3.140 -7.801 6.585 456 HB2 SER 61 HB2 SER 61 4.685 -9.751 6.892 457 HB3 SER 61 HB1 SER 61 6.007 -8.734 6.326 458 HG SER 61 HG SER 61 4.693 -8.754 8.756 459 H LEU 62 HN LEU 62 2.790 -5.836 5.271 460 HA LEU 62 HA LEU 62 5.211 -4.202 5.004 461 HB2 LEU 62 HB2 LEU 62 3.825 -4.491 2.984 462 HB3 LEU 62 HB1 LEU 62 2.465 -3.779 3.832 463 HG LEU 62 HG LEU 62 3.721 -1.656 4.026 464 HD11 LEU 62 HD11 LEU 62 5.753 -3.060 2.295 465 HD12 LEU 62 HD12 LEU 62 5.985 -2.543 3.967 466 HD13 LEU 62 HD13 LEU 62 5.752 -1.343 2.697 467 HD21 LEU 62 HD21 LEU 62 3.458 -2.725 1.218 468 HD22 LEU 62 HD22 LEU 62 3.541 -1.022 1.673 469 HD23 LEU 62 HD23 LEU 62 2.168 -2.006 2.180 470 H GLY 63 HN GLY 63 1.890 -4.140 6.230 471 HA2 GLY 63 HA2 GLY 63 2.723 -2.020 8.091 472 HA3 GLY 63 HA1 GLY 63 1.242 -1.844 7.161 473 H GLU 64 HN GLU 64 0.915 -1.633 9.740 474 HA GLU 64 HA GLU 64 0.438 -4.151 11.041 475 HB2 GLU 64 HB2 GLU 64 -0.385 -1.340 11.798 476 HB3 GLU 64 HB1 GLU 64 -0.581 -2.755 12.824 477 HG2 GLU 64 HG2 GLU 64 1.870 -3.066 12.792 478 HG3 GLU 64 HG1 GLU 64 2.015 -1.571 11.867 479 H ALA 65 HN ALA 65 -1.422 -5.264 11.172 480 HA ALA 65 HA ALA 65 -3.395 -4.719 9.186 481 HB1 ALA 65 HB1 ALA 65 -4.442 -6.786 9.934 482 HB2 ALA 65 HB2 ALA 65 -3.383 -6.826 11.344 483 HB3 ALA 65 HB3 ALA 65 -2.704 -7.003 9.726 484 H ILE 66 HN ILE 66 -4.847 -3.206 9.440 485 HA ILE 66 HA ILE 66 -6.166 -2.915 12.058 486 HB ILE 66 HB ILE 66 -6.886 -0.667 11.261 487 HG12 ILE 66 HG12 ILE 66 -4.957 -1.199 8.986 488 HG13 ILE 66 HG11 ILE 66 -6.709 -1.107 8.836 489 HG21 ILE 66 HG21 ILE 66 -4.686 0.412 11.535 490 HG22 ILE 66 HG22 ILE 66 -3.909 -1.159 11.328 491 HG23 ILE 66 HG23 ILE 66 -4.963 -0.870 12.713 492 HD11 ILE 66 HD11 ILE 66 -5.613 0.946 8.108 493 HD12 ILE 66 HD12 ILE 66 -4.917 1.142 9.716 494 HD13 ILE 66 HD13 ILE 66 -6.664 1.222 9.497 495 H VAL 67 HN VAL 67 -6.614 -4.812 9.803 496 HA VAL 67 HA VAL 67 -8.983 -4.176 8.443 497 HB VAL 67 HB VAL 67 -7.559 -5.945 7.624 498 HG11 VAL 67 HG11 VAL 67 -7.359 -8.110 8.737 499 HG12 VAL 67 HG12 VAL 67 -8.273 -7.486 10.110 500 HG13 VAL 67 HG13 VAL 67 -6.693 -6.807 9.722 501 HG21 VAL 67 HG21 VAL 67 -9.224 -7.686 7.200 502 HG22 VAL 67 HG22 VAL 67 -9.914 -6.070 7.045 503 HG23 VAL 67 HG23 VAL 67 -10.231 -7.031 8.490 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -5.594 -15.726 6.449 2 H2 GLY 1 HT2 GLY 1 -5.019 -15.229 4.936 3 H3 GLY 1 HT3 GLY 1 -5.547 -16.819 5.161 4 HA2 GLY 1 HA1 GLY 1 -7.798 -16.030 5.582 5 HA3 GLY 1 HA2 GLY 1 -7.238 -14.392 5.286 6 H SER 2 HN SER 2 -5.438 -15.129 3.153 7 HA SER 2 HA SER 2 -5.404 -15.180 0.903 8 HB2 SER 2 HB2 SER 2 -6.491 -17.110 -0.201 9 HB3 SER 2 HB1 SER 2 -5.584 -17.574 1.235 10 HG SER 2 HG SER 2 -8.130 -17.003 1.900 11 H HIS 3 HN HIS 3 -7.253 -13.308 2.028 12 HA HIS 3 HA HIS 3 -8.959 -13.024 -0.343 13 HB2 HIS 3 HB2 HIS 3 -9.758 -12.499 2.524 14 HB3 HIS 3 HB1 HIS 3 -10.643 -11.845 1.149 15 HD2 HIS 3 HD2 HIS 3 -11.140 -14.269 -0.733 16 HE1 HIS 3 HE1 HIS 3 -12.301 -16.419 2.719 17 HE2 HIS 3 HE2 HIS 3 -12.228 -16.434 0.188 18 H MET 4 HN MET 4 -8.485 -10.928 2.477 19 HA MET 4 HA MET 4 -6.663 -9.166 1.271 20 HB2 MET 4 HB2 MET 4 -8.060 -7.283 0.706 21 HB3 MET 4 HB1 MET 4 -8.617 -8.682 -0.202 22 HG2 MET 4 HG2 MET 4 -10.456 -8.986 1.346 23 HG3 MET 4 HG1 MET 4 -9.877 -7.637 2.323 24 HE1 MET 4 HE1 MET 4 -12.850 -7.778 1.354 25 HE2 MET 4 HE2 MET 4 -13.115 -6.140 0.761 26 HE3 MET 4 HE3 MET 4 -12.200 -6.403 2.247 27 H LEU 5 HN LEU 5 -6.460 -7.121 2.515 28 HA LEU 5 HA LEU 5 -7.777 -6.923 5.050 29 HB2 LEU 5 HB2 LEU 5 -5.751 -7.203 6.435 30 HB3 LEU 5 HB1 LEU 5 -6.255 -8.693 5.665 31 HG LEU 5 HG LEU 5 -4.116 -7.030 4.382 32 HD11 LEU 5 HD11 LEU 5 -3.712 -8.963 6.659 33 HD12 LEU 5 HD12 LEU 5 -3.409 -7.225 6.695 34 HD13 LEU 5 HD13 LEU 5 -2.431 -8.271 5.664 35 HD21 LEU 5 HD21 LEU 5 -5.016 -8.945 3.163 36 HD22 LEU 5 HD22 LEU 5 -4.640 -9.998 4.526 37 HD23 LEU 5 HD23 LEU 5 -3.336 -9.223 3.627 38 H GLN 6 HN GLN 6 -7.192 -4.983 6.166 39 HA GLN 6 HA GLN 6 -5.807 -3.070 4.436 40 HB2 GLN 6 HB2 GLN 6 -8.128 -2.512 5.007 41 HB3 GLN 6 HB1 GLN 6 -7.724 -2.574 6.717 42 HG2 GLN 6 HG2 GLN 6 -6.462 -0.624 6.614 43 HG3 GLN 6 HG1 GLN 6 -6.294 -0.716 4.863 44 HE21 GLN 6 HE21 GLN 6 -8.447 0.088 7.495 45 HE22 GLN 6 HE22 GLN 6 -9.570 0.994 6.543 46 H VAL 7 HN VAL 7 -3.941 -2.199 5.047 47 HA VAL 7 HA VAL 7 -2.997 -2.792 7.771 48 HB VAL 7 HB VAL 7 -0.727 -3.072 6.888 49 HG11 VAL 7 HG11 VAL 7 -1.043 -5.229 5.750 50 HG12 VAL 7 HG12 VAL 7 -2.755 -4.860 5.552 51 HG13 VAL 7 HG13 VAL 7 -2.077 -5.062 7.166 52 HG21 VAL 7 HG21 VAL 7 -0.883 -1.665 4.911 53 HG22 VAL 7 HG22 VAL 7 -1.999 -2.812 4.165 54 HG23 VAL 7 HG23 VAL 7 -0.329 -3.283 4.481 55 H ARG 8 HN ARG 8 -1.715 -1.290 8.768 56 HA ARG 8 HA ARG 8 -1.490 1.330 7.444 57 HB2 ARG 8 HB2 ARG 8 -1.391 0.627 10.387 58 HB3 ARG 8 HB1 ARG 8 -1.179 2.242 9.727 59 HG2 ARG 8 HG2 ARG 8 -3.471 2.095 8.781 60 HG3 ARG 8 HG1 ARG 8 -3.667 0.554 9.620 61 HD2 ARG 8 HD2 ARG 8 -4.641 2.394 10.898 62 HD3 ARG 8 HD1 ARG 8 -3.287 1.664 11.760 63 HE ARG 8 HE ARG 8 -2.067 3.675 10.517 64 HH11 ARG 8 HH11 ARG 8 -5.073 3.628 12.313 65 HH12 ARG 8 HH12 ARG 8 -4.931 5.279 12.828 66 HH21 ARG 8 HH21 ARG 8 -1.886 5.838 11.194 67 HH22 ARG 8 HH22 ARG 8 -3.118 6.530 12.203 68 H ALA 9 HN ALA 9 0.434 1.459 6.479 69 HA ALA 9 HA ALA 9 2.735 0.162 7.773 70 HB1 ALA 9 HB1 ALA 9 2.172 -0.643 5.516 71 HB2 ALA 9 HB2 ALA 9 3.772 0.092 5.587 72 HB3 ALA 9 HB3 ALA 9 2.423 0.987 4.891 73 H THR 10 HN THR 10 4.547 1.287 8.260 74 HA THR 10 HA THR 10 4.509 4.164 7.642 75 HB THR 10 HB THR 10 6.055 4.348 9.668 76 HG1 THR 10 HG1 THR 10 6.422 2.018 9.780 77 HG21 THR 10 HG21 THR 10 3.198 3.460 10.080 78 HG22 THR 10 HG22 THR 10 3.748 5.105 9.757 79 HG23 THR 10 HG23 THR 10 4.179 4.314 11.273 80 H LYS 11 HN LYS 11 5.684 4.221 5.826 81 HA LYS 11 HA LYS 11 8.516 4.025 6.017 82 HB2 LYS 11 HB2 LYS 11 7.897 1.639 5.600 83 HB3 LYS 11 HB1 LYS 11 7.114 2.134 4.109 84 HG2 LYS 11 HG2 LYS 11 9.251 2.896 3.223 85 HG3 LYS 11 HG1 LYS 11 10.047 2.428 4.731 86 HD2 LYS 11 HD2 LYS 11 9.335 0.100 4.350 87 HD3 LYS 11 HD1 LYS 11 8.610 0.590 2.818 88 HE2 LYS 11 HE2 LYS 11 10.775 -0.388 2.403 89 HE3 LYS 11 HE1 LYS 11 10.831 1.337 2.045 90 HZ1 LYS 11 HZ1 LYS 11 11.881 1.706 4.193 91 HZ2 LYS 11 HZ2 LYS 11 12.787 0.626 3.260 92 HZ3 LYS 11 HZ3 LYS 11 11.830 0.051 4.528 93 H ASP 12 HN ASP 12 9.473 5.290 4.402 94 HA ASP 12 HA ASP 12 7.664 6.928 2.861 95 HB2 ASP 12 HB2 ASP 12 9.699 8.144 2.174 96 HB3 ASP 12 HB1 ASP 12 9.605 7.970 3.922 97 H TYR 13 HN TYR 13 7.038 4.708 1.885 98 HA TYR 13 HA TYR 13 8.848 3.594 -0.038 99 HB2 TYR 13 HB2 TYR 13 7.018 2.419 1.399 100 HB3 TYR 13 HB1 TYR 13 5.927 2.932 0.117 101 HD1 TYR 13 HD1 TYR 13 9.211 1.215 0.539 102 HD2 TYR 13 HD2 TYR 13 5.572 1.479 -1.637 103 HE1 TYR 13 HE1 TYR 13 9.865 -0.758 -0.774 104 HE2 TYR 13 HE2 TYR 13 6.210 -0.491 -2.959 105 HH TYR 13 HH TYR 13 8.224 -1.696 -3.617 106 H CYS 14 HN CYS 14 8.264 3.304 -2.312 107 HA CYS 14 HA CYS 14 7.844 4.133 -4.374 108 HB2 CYS 14 HB2 CYS 14 5.457 4.089 -3.535 109 HB3 CYS 14 HB1 CYS 14 5.645 5.790 -3.126 110 HG CYS 14 HG CYS 14 6.225 6.494 -5.841 111 H ASN 15 HN ASN 15 9.771 5.278 -2.712 112 HA ASN 15 HA ASN 15 9.771 8.134 -3.017 113 HB2 ASN 15 HB2 ASN 15 10.990 7.034 -1.176 114 HB3 ASN 15 HB1 ASN 15 12.024 6.219 -2.345 115 HD21 ASN 15 HD21 ASN 15 11.294 9.202 -0.756 116 HD22 ASN 15 HD22 ASN 15 12.706 10.057 -1.270 117 H ASN 16 HN ASN 16 10.803 5.377 -4.823 118 HA ASN 16 HA ASN 16 12.611 6.604 -6.598 119 HB2 ASN 16 HB2 ASN 16 10.822 4.194 -6.953 120 HB3 ASN 16 HB1 ASN 16 12.065 4.674 -8.105 121 HD21 ASN 16 HD21 ASN 16 11.843 2.227 -6.577 122 HD22 ASN 16 HD22 ASN 16 13.289 2.105 -5.640 123 H TYR 17 HN TYR 17 12.352 7.380 -8.664 124 HA TYR 17 HA TYR 17 10.084 9.074 -8.933 125 HB2 TYR 17 HB2 TYR 17 12.420 8.587 -10.787 126 HB3 TYR 17 HB1 TYR 17 11.227 9.863 -10.988 127 HD1 TYR 17 HD1 TYR 17 11.394 11.893 -9.782 128 HD2 TYR 17 HD2 TYR 17 13.925 8.624 -8.769 129 HE1 TYR 17 HE1 TYR 17 12.722 13.373 -8.333 130 HE2 TYR 17 HE2 TYR 17 15.256 10.098 -7.316 131 HH TYR 17 HH TYR 17 14.217 13.171 -6.365 132 H ASP 18 HN ASP 18 11.195 6.168 -10.588 133 HA ASP 18 HA ASP 18 8.498 5.939 -11.713 134 HB2 ASP 18 HB2 ASP 18 11.087 5.575 -13.204 135 HB3 ASP 18 HB1 ASP 18 9.587 4.834 -13.750 136 H LEU 19 HN LEU 19 7.722 4.352 -10.512 137 HA LEU 19 HA LEU 19 8.613 1.689 -10.962 138 HB2 LEU 19 HB2 LEU 19 10.192 2.507 -9.158 139 HB3 LEU 19 HB1 LEU 19 8.797 2.681 -8.113 140 HG LEU 19 HG LEU 19 8.370 0.252 -8.300 141 HD11 LEU 19 HD11 LEU 19 10.933 0.265 -9.882 142 HD12 LEU 19 HD12 LEU 19 9.330 -0.184 -10.469 143 HD13 LEU 19 HD13 LEU 19 10.139 -1.179 -9.257 144 HD21 LEU 19 HD21 LEU 19 11.178 0.908 -7.423 145 HD22 LEU 19 HD22 LEU 19 10.210 -0.471 -6.904 146 HD23 LEU 19 HD23 LEU 19 9.724 1.165 -6.458 147 H THR 20 HN THR 20 7.106 0.133 -9.844 148 HA THR 20 HA THR 20 4.503 1.403 -9.342 149 HB THR 20 HB THR 20 5.019 -1.547 -9.770 150 HG1 THR 20 HG1 THR 20 4.283 0.398 -11.734 151 HG21 THR 20 HG21 THR 20 2.650 -1.567 -10.416 152 HG22 THR 20 HG22 THR 20 2.550 0.164 -10.098 153 HG23 THR 20 HG23 THR 20 2.861 -0.959 -8.775 154 H SER 21 HN SER 21 4.308 1.849 -7.220 155 HA SER 21 HA SER 21 4.968 -0.200 -5.260 156 HB2 SER 21 HB2 SER 21 6.281 2.520 -5.344 157 HB3 SER 21 HB1 SER 21 6.370 1.417 -3.972 158 HG SER 21 HG SER 21 7.035 -0.004 -6.063 159 H LEU 22 HN LEU 22 4.343 0.412 -3.068 160 HA LEU 22 HA LEU 22 1.797 1.634 -2.905 161 HB2 LEU 22 HB2 LEU 22 3.775 0.850 -0.761 162 HB3 LEU 22 HB1 LEU 22 2.172 1.459 -0.419 163 HG LEU 22 HG LEU 22 2.034 -0.863 -0.157 164 HD11 LEU 22 HD11 LEU 22 0.187 0.092 -1.414 165 HD12 LEU 22 HD12 LEU 22 0.498 -1.579 -1.889 166 HD13 LEU 22 HD13 LEU 22 1.029 -0.255 -2.925 167 HD21 LEU 22 HD21 LEU 22 2.798 -2.491 -1.806 168 HD22 LEU 22 HD22 LEU 22 4.128 -1.485 -1.231 169 HD23 LEU 22 HD23 LEU 22 3.416 -1.185 -2.816 170 H ASN 23 HN ASN 23 1.342 3.736 -2.803 171 HA ASN 23 HA ASN 23 3.395 5.713 -2.435 172 HB2 ASN 23 HB2 ASN 23 1.395 6.006 -3.941 173 HB3 ASN 23 HB1 ASN 23 0.393 6.123 -2.499 174 HD21 ASN 23 HD21 ASN 23 0.640 7.931 -1.131 175 HD22 ASN 23 HD22 ASN 23 1.345 9.404 -1.712 176 H VAL 24 HN VAL 24 4.093 5.004 -0.310 177 HA VAL 24 HA VAL 24 2.192 5.616 1.847 178 HB VAL 24 HB VAL 24 4.829 4.186 2.162 179 HG11 VAL 24 HG11 VAL 24 3.856 5.126 4.197 180 HG12 VAL 24 HG12 VAL 24 3.828 3.361 4.233 181 HG13 VAL 24 HG13 VAL 24 2.351 4.262 3.884 182 HG21 VAL 24 HG21 VAL 24 3.531 2.888 0.602 183 HG22 VAL 24 HG22 VAL 24 2.109 2.993 1.640 184 HG23 VAL 24 HG23 VAL 24 3.526 2.083 2.172 185 H LYS 25 HN LYS 25 2.418 7.432 2.915 186 HA LYS 25 HA LYS 25 4.857 8.996 2.649 187 HB2 LYS 25 HB2 LYS 25 3.490 10.742 3.863 188 HB3 LYS 25 HB1 LYS 25 2.874 10.249 2.293 189 HG2 LYS 25 HG2 LYS 25 1.157 8.936 3.286 190 HG3 LYS 25 HG1 LYS 25 1.864 9.124 4.893 191 HD2 LYS 25 HD2 LYS 25 1.317 11.441 4.951 192 HD3 LYS 25 HD1 LYS 25 0.880 11.442 3.243 193 HE2 LYS 25 HE2 LYS 25 -0.563 9.756 5.266 194 HE3 LYS 25 HE1 LYS 25 -1.025 11.424 4.938 195 HZ1 LYS 25 HZ1 LYS 25 -0.922 9.230 2.923 196 HZ2 LYS 25 HZ2 LYS 25 -1.396 10.836 2.627 197 HZ3 LYS 25 HZ3 LYS 25 -2.326 9.853 3.640 198 H ALA 26 HN ALA 26 5.349 6.760 4.082 199 HA ALA 26 HA ALA 26 6.246 5.969 6.004 200 HB1 ALA 26 HB1 ALA 26 6.457 8.882 6.742 201 HB2 ALA 26 HB2 ALA 26 7.641 7.961 5.810 202 HB3 ALA 26 HB3 ALA 26 7.333 7.548 7.498 203 H GLY 27 HN GLY 27 3.366 6.312 5.844 204 HA2 GLY 27 HA2 GLY 27 2.436 5.289 8.133 205 HA3 GLY 27 HA1 GLY 27 2.520 7.000 8.533 206 H ASP 28 HN ASP 28 1.249 4.768 6.094 207 HA ASP 28 HA ASP 28 -1.008 6.625 5.720 208 HB2 ASP 28 HB2 ASP 28 0.923 6.244 3.849 209 HB3 ASP 28 HB1 ASP 28 -0.231 5.000 3.386 210 H ILE 29 HN ILE 29 -2.775 5.428 4.375 211 HA ILE 29 HA ILE 29 -3.305 2.921 5.829 212 HB ILE 29 HB ILE 29 -5.286 4.729 4.434 213 HG12 ILE 29 HG12 ILE 29 -4.259 5.897 6.325 214 HG13 ILE 29 HG11 ILE 29 -5.934 5.497 6.678 215 HG21 ILE 29 HG21 ILE 29 -5.713 2.448 6.360 216 HG22 ILE 29 HG22 ILE 29 -6.023 2.412 4.626 217 HG23 ILE 29 HG23 ILE 29 -6.975 3.468 5.670 218 HD11 ILE 29 HD11 ILE 29 -4.529 5.125 8.611 219 HD12 ILE 29 HD12 ILE 29 -3.512 4.024 7.682 220 HD13 ILE 29 HD13 ILE 29 -5.187 3.598 8.026 221 H ILE 30 HN ILE 30 -3.012 1.130 4.679 222 HA ILE 30 HA ILE 30 -3.347 1.284 1.753 223 HB ILE 30 HB ILE 30 -1.672 -0.737 3.234 224 HG12 ILE 30 HG12 ILE 30 -0.759 1.847 1.952 225 HG13 ILE 30 HG11 ILE 30 -0.828 1.542 3.685 226 HG21 ILE 30 HG21 ILE 30 -0.623 -1.056 1.047 227 HG22 ILE 30 HG22 ILE 30 -1.706 0.150 0.353 228 HG23 ILE 30 HG23 ILE 30 -2.358 -1.364 0.980 229 HD11 ILE 30 HD11 ILE 30 0.817 -0.259 3.410 230 HD12 ILE 30 HD12 ILE 30 1.431 1.308 2.888 231 HD13 ILE 30 HD13 ILE 30 0.917 0.123 1.690 232 H THR 31 HN THR 31 -4.855 0.025 0.855 233 HA THR 31 HA THR 31 -6.043 -2.120 2.482 234 HB THR 31 HB THR 31 -7.153 -1.014 -0.102 235 HG1 THR 31 HG1 THR 31 -7.373 -0.046 2.551 236 HG21 THR 31 HG21 THR 31 -9.258 -1.927 0.740 237 HG22 THR 31 HG22 THR 31 -8.450 -2.459 2.213 238 HG23 THR 31 HG23 THR 31 -8.025 -3.185 0.663 239 H VAL 32 HN VAL 32 -5.054 -4.023 2.097 240 HA VAL 32 HA VAL 32 -3.933 -4.452 -0.590 241 HB VAL 32 HB VAL 32 -2.212 -5.790 0.358 242 HG11 VAL 32 HG11 VAL 32 -2.614 -3.377 2.112 243 HG12 VAL 32 HG12 VAL 32 -1.836 -3.398 0.530 244 HG13 VAL 32 HG13 VAL 32 -1.095 -4.246 1.888 245 HG21 VAL 32 HG21 VAL 32 -3.497 -7.007 2.015 246 HG22 VAL 32 HG22 VAL 32 -3.641 -5.552 3.001 247 HG23 VAL 32 HG23 VAL 32 -2.061 -6.299 2.755 248 H LEU 33 HN LEU 33 -3.817 -6.698 -1.320 249 HA LEU 33 HA LEU 33 -6.008 -8.284 -0.206 250 HB2 LEU 33 HB2 LEU 33 -6.141 -9.426 -2.462 251 HB3 LEU 33 HB1 LEU 33 -6.794 -7.814 -2.337 252 HG LEU 33 HG LEU 33 -5.671 -8.251 -4.478 253 HD11 LEU 33 HD11 LEU 33 -4.234 -6.148 -2.883 254 HD12 LEU 33 HD12 LEU 33 -5.834 -5.967 -3.599 255 HD13 LEU 33 HD13 LEU 33 -4.428 -6.209 -4.634 256 HD21 LEU 33 HD21 LEU 33 -3.136 -8.447 -2.871 257 HD22 LEU 33 HD22 LEU 33 -3.257 -8.414 -4.630 258 HD23 LEU 33 HD23 LEU 33 -3.929 -9.768 -3.723 259 H GLU 34 HN GLU 34 -5.711 -10.509 0.027 260 HA GLU 34 HA GLU 34 -2.867 -11.202 0.240 261 HB2 GLU 34 HB2 GLU 34 -4.304 -11.184 2.326 262 HB3 GLU 34 HB1 GLU 34 -5.174 -12.552 1.644 263 HG2 GLU 34 HG2 GLU 34 -3.160 -13.880 1.638 264 HG3 GLU 34 HG1 GLU 34 -2.219 -12.504 2.212 265 H GLN 35 HN GLN 35 -2.230 -12.291 -1.476 266 HA GLN 35 HA GLN 35 -3.953 -14.430 -2.517 267 HB2 GLN 35 HB2 GLN 35 -2.516 -12.288 -4.076 268 HB3 GLN 35 HB1 GLN 35 -3.093 -13.774 -4.816 269 HG2 GLN 35 HG2 GLN 35 -4.862 -11.865 -3.319 270 HG3 GLN 35 HG1 GLN 35 -4.608 -11.808 -5.064 271 HE21 GLN 35 HE21 GLN 35 -5.944 -13.655 -2.419 272 HE22 GLN 35 HE22 GLN 35 -6.956 -14.670 -3.392 273 H HIS 36 HN HIS 36 -0.694 -13.034 -2.826 274 HA HIS 36 HA HIS 36 1.361 -13.976 -3.062 275 HB2 HIS 36 HB2 HIS 36 0.587 -14.842 -0.768 276 HB3 HIS 36 HB1 HIS 36 0.279 -16.368 -1.577 277 HD2 HIS 36 HD2 HIS 36 2.590 -17.728 -2.474 278 HE1 HIS 36 HE1 HIS 36 5.195 -15.369 -0.121 279 HE2 HIS 36 HE2 HIS 36 4.918 -17.573 -1.336 280 HA PRO 37 HA PRO 37 -0.281 -16.803 -6.445 281 HB2 PRO 37 HB2 PRO 37 0.779 -14.790 -8.287 282 HB3 PRO 37 HB1 PRO 37 -0.844 -15.478 -8.207 283 HG2 PRO 37 HG2 PRO 37 -0.330 -12.918 -7.530 284 HG3 PRO 37 HG1 PRO 37 -1.592 -13.873 -6.731 285 HD2 PRO 37 HD2 PRO 37 1.182 -13.239 -5.789 286 HD3 PRO 37 HD1 PRO 37 -0.344 -13.234 -4.880 287 H ASP 38 HN ASP 38 2.599 -14.981 -5.847 288 HA ASP 38 HA ASP 38 4.193 -17.254 -6.763 289 HB2 ASP 38 HB2 ASP 38 4.825 -14.359 -7.369 290 HB3 ASP 38 HB1 ASP 38 5.904 -15.714 -7.677 291 H GLY 39 HN GLY 39 4.589 -14.063 -5.210 292 HA2 GLY 39 HA2 GLY 39 5.288 -15.197 -2.705 293 HA3 GLY 39 HA1 GLY 39 6.730 -14.729 -3.592 294 H ARG 40 HN ARG 40 3.685 -12.999 -3.803 295 HA ARG 40 HA ARG 40 4.325 -11.051 -1.851 296 HB2 ARG 40 HB2 ARG 40 4.790 -9.141 -3.257 297 HB3 ARG 40 HB1 ARG 40 5.985 -10.388 -3.560 298 HG2 ARG 40 HG2 ARG 40 3.587 -9.979 -5.321 299 HG3 ARG 40 HG1 ARG 40 5.112 -9.132 -5.568 300 HD2 ARG 40 HD2 ARG 40 4.633 -12.107 -5.648 301 HD3 ARG 40 HD1 ARG 40 5.051 -11.056 -7.001 302 HE ARG 40 HE ARG 40 6.971 -11.160 -4.818 303 HH11 ARG 40 HH11 ARG 40 6.065 -12.291 -8.011 304 HH12 ARG 40 HH12 ARG 40 7.636 -12.939 -8.356 305 HH21 ARG 40 HH21 ARG 40 9.030 -12.022 -5.276 306 HH22 ARG 40 HH22 ARG 40 9.320 -12.789 -6.806 307 H TRP 41 HN TRP 41 2.767 -9.316 -1.793 308 HA TRP 41 HA TRP 41 0.229 -10.041 -3.101 309 HB2 TRP 41 HB2 TRP 41 0.580 -8.476 -0.537 310 HB3 TRP 41 HB1 TRP 41 -0.925 -9.082 -1.209 311 HD1 TRP 41 HD1 TRP 41 0.620 -12.068 -1.743 312 HE1 TRP 41 HE1 TRP 41 0.728 -13.625 0.304 313 HE3 TRP 41 HE3 TRP 41 -0.223 -8.633 1.938 314 HZ2 TRP 41 HZ2 TRP 41 0.478 -13.425 3.104 315 HZ3 TRP 41 HZ3 TRP 41 -0.280 -9.394 4.271 316 HH2 TRP 41 HH2 TRP 41 0.063 -11.742 4.843 317 H LYS 42 HN LYS 42 -1.214 -8.157 -3.474 318 HA LYS 42 HA LYS 42 0.322 -5.767 -4.213 319 HB2 LYS 42 HB2 LYS 42 -2.443 -6.597 -5.094 320 HB3 LYS 42 HB1 LYS 42 -1.580 -5.172 -5.643 321 HG2 LYS 42 HG2 LYS 42 0.152 -6.684 -6.604 322 HG3 LYS 42 HG1 LYS 42 -0.893 -8.047 -6.192 323 HD2 LYS 42 HD2 LYS 42 -1.590 -5.745 -8.015 324 HD3 LYS 42 HD1 LYS 42 -1.222 -7.396 -8.514 325 HE2 LYS 42 HE2 LYS 42 -3.193 -8.229 -7.432 326 HE3 LYS 42 HE1 LYS 42 -3.509 -6.661 -6.694 327 HZ1 LYS 42 HZ1 LYS 42 -3.859 -5.743 -8.911 328 HZ2 LYS 42 HZ2 LYS 42 -4.936 -7.004 -8.584 329 HZ3 LYS 42 HZ3 LYS 42 -3.609 -7.271 -9.596 330 H GLY 43 HN GLY 43 -0.492 -3.704 -3.661 331 HA2 GLY 43 HA2 GLY 43 -2.705 -3.683 -1.733 332 HA3 GLY 43 HA1 GLY 43 -1.175 -2.949 -1.281 333 H CYS 44 HN CYS 44 -3.883 -1.815 -1.634 334 HA CYS 44 HA CYS 44 -3.209 0.226 -3.654 335 HB2 CYS 44 HB2 CYS 44 -5.926 -0.458 -2.515 336 HB3 CYS 44 HB1 CYS 44 -5.593 0.701 -3.796 337 HG CYS 44 HG CYS 44 -5.068 -1.062 -5.747 338 H ILE 45 HN ILE 45 -3.610 2.442 -3.050 339 HA ILE 45 HA ILE 45 -3.228 2.813 -0.162 340 HB ILE 45 HB ILE 45 -2.635 4.745 -2.412 341 HG12 ILE 45 HG12 ILE 45 -1.193 2.759 -2.511 342 HG13 ILE 45 HG11 ILE 45 -0.280 4.188 -2.043 343 HG21 ILE 45 HG21 ILE 45 -1.388 6.002 -0.731 344 HG22 ILE 45 HG22 ILE 45 -1.874 4.840 0.504 345 HG23 ILE 45 HG23 ILE 45 -3.087 5.850 -0.283 346 HD11 ILE 45 HD11 ILE 45 -1.274 2.052 -0.174 347 HD12 ILE 45 HD12 ILE 45 -0.328 3.471 0.281 348 HD13 ILE 45 HD13 ILE 45 0.378 2.233 -0.758 349 H HIS 46 HN HIS 46 -4.771 3.725 1.022 350 HA HIS 46 HA HIS 46 -6.934 5.140 -0.391 351 HB2 HIS 46 HB2 HIS 46 -7.516 3.145 1.072 352 HB3 HIS 46 HB1 HIS 46 -6.981 4.098 2.452 353 HD2 HIS 46 HD2 HIS 46 -9.846 4.114 -0.219 354 HE1 HIS 46 HE1 HIS 46 -10.959 6.554 3.051 355 HE2 HIS 46 HE2 HIS 46 -11.649 5.693 0.773 356 H ASP 47 HN ASP 47 -6.367 7.226 -0.500 357 HA ASP 47 HA ASP 47 -4.628 8.470 1.328 358 HB2 ASP 47 HB2 ASP 47 -4.924 10.459 0.096 359 HB3 ASP 47 HB1 ASP 47 -5.088 9.165 -1.080 360 H ASN 48 HN ASN 48 -4.941 9.346 3.200 361 HA ASN 48 HA ASN 48 -7.598 9.625 4.303 362 HB2 ASN 48 HB2 ASN 48 -6.157 10.503 6.315 363 HB3 ASN 48 HB1 ASN 48 -6.181 8.786 5.932 364 HD21 ASN 48 HD21 ASN 48 -4.202 8.427 6.892 365 HD22 ASN 48 HD22 ASN 48 -2.712 8.951 6.184 366 H ARG 49 HN ARG 49 -4.879 11.687 3.430 367 HA ARG 49 HA ARG 49 -6.774 13.940 3.296 368 HB2 ARG 49 HB2 ARG 49 -3.821 14.022 3.941 369 HB3 ARG 49 HB1 ARG 49 -4.808 15.442 3.641 370 HG2 ARG 49 HG2 ARG 49 -6.201 14.864 5.576 371 HG3 ARG 49 HG1 ARG 49 -5.165 13.470 5.884 372 HD2 ARG 49 HD2 ARG 49 -3.251 14.960 6.183 373 HD3 ARG 49 HD1 ARG 49 -4.285 16.353 5.870 374 HE ARG 49 HE ARG 49 -5.274 14.760 8.015 375 HH11 ARG 49 HH11 ARG 49 -2.899 17.188 7.191 376 HH12 ARG 49 HH12 ARG 49 -2.773 17.802 8.806 377 HH21 ARG 49 HH21 ARG 49 -5.125 15.573 10.151 378 HH22 ARG 49 HH22 ARG 49 -4.040 16.884 10.493 379 H THR 50 HN THR 50 -3.550 13.034 2.064 380 HA THR 50 HA THR 50 -4.637 13.034 -0.628 381 HB THR 50 HB THR 50 -3.751 15.337 -0.282 382 HG1 THR 50 HG1 THR 50 -3.319 15.214 -2.336 383 HG21 THR 50 HG21 THR 50 -1.102 13.926 0.045 384 HG22 THR 50 HG22 THR 50 -1.945 14.874 1.272 385 HG23 THR 50 HG23 THR 50 -1.311 15.664 -0.172 386 H GLY 51 HN GLY 51 -2.802 12.265 -2.175 387 HA2 GLY 51 HA2 GLY 51 -0.690 10.837 -1.985 388 HA3 GLY 51 HA1 GLY 51 -1.654 9.892 -0.854 389 H ASN 52 HN ASN 52 -4.094 10.369 -2.369 390 HA ASN 52 HA ASN 52 -5.363 9.541 -4.041 391 HB2 ASN 52 HB2 ASN 52 -2.726 9.474 -5.507 392 HB3 ASN 52 HB1 ASN 52 -4.275 9.120 -6.263 393 HD21 ASN 52 HD21 ASN 52 -5.727 11.119 -4.758 394 HD22 ASN 52 HD22 ASN 52 -5.260 12.654 -5.397 395 H ASP 53 HN ASP 53 -5.340 7.550 -5.726 396 HA ASP 53 HA ASP 53 -4.763 5.224 -4.028 397 HB2 ASP 53 HB2 ASP 53 -7.065 5.262 -4.465 398 HB3 ASP 53 HB1 ASP 53 -6.840 5.789 -6.125 399 H ARG 54 HN ARG 54 -2.926 4.289 -4.537 400 HA ARG 54 HA ARG 54 -2.415 3.662 -7.365 401 HB2 ARG 54 HB2 ARG 54 -0.376 4.408 -5.257 402 HB3 ARG 54 HB1 ARG 54 0.025 3.768 -6.843 403 HG2 ARG 54 HG2 ARG 54 -1.051 5.738 -7.874 404 HG3 ARG 54 HG1 ARG 54 -1.340 6.388 -6.258 405 HD2 ARG 54 HD2 ARG 54 1.078 6.344 -5.828 406 HD3 ARG 54 HD1 ARG 54 1.349 5.741 -7.461 407 HE ARG 54 HE ARG 54 -0.121 8.180 -7.484 408 HH11 ARG 54 HH11 ARG 54 3.104 6.878 -7.084 409 HH12 ARG 54 HH12 ARG 54 3.892 8.318 -7.638 410 HH21 ARG 54 HH21 ARG 54 0.923 10.096 -8.181 411 HH22 ARG 54 HH22 ARG 54 2.657 10.147 -8.251 412 H VAL 55 HN VAL 55 -1.401 1.623 -7.734 413 HA VAL 55 HA VAL 55 -1.742 -0.240 -5.489 414 HB VAL 55 HB VAL 55 -3.104 -0.736 -7.484 415 HG11 VAL 55 HG11 VAL 55 -2.045 -1.538 -9.543 416 HG12 VAL 55 HG12 VAL 55 -0.464 -1.119 -8.885 417 HG13 VAL 55 HG13 VAL 55 -1.646 0.147 -9.212 418 HG21 VAL 55 HG21 VAL 55 -0.940 -2.763 -6.942 419 HG22 VAL 55 HG22 VAL 55 -2.491 -3.100 -7.706 420 HG23 VAL 55 HG23 VAL 55 -2.436 -2.562 -6.030 421 H GLY 56 HN GLY 56 -0.085 -1.442 -4.762 422 HA2 GLY 56 HA2 GLY 56 2.448 -1.372 -6.266 423 HA3 GLY 56 HA1 GLY 56 2.430 -0.894 -4.574 424 H TYR 57 HN TYR 57 4.051 -2.942 -5.377 425 HA TYR 57 HA TYR 57 2.640 -5.373 -4.490 426 HB2 TYR 57 HB2 TYR 57 5.269 -5.178 -5.981 427 HB3 TYR 57 HB1 TYR 57 4.384 -6.651 -5.604 428 HD1 TYR 57 HD1 TYR 57 2.336 -7.220 -6.834 429 HD2 TYR 57 HD2 TYR 57 4.606 -3.756 -7.807 430 HE1 TYR 57 HE1 TYR 57 1.143 -7.046 -8.979 431 HE2 TYR 57 HE2 TYR 57 3.418 -3.570 -9.949 432 HH TYR 57 HH TYR 57 2.187 -5.068 -11.503 433 H PHE 58 HN PHE 58 3.393 -6.491 -2.724 434 HA PHE 58 HA PHE 58 5.972 -5.755 -1.585 435 HB2 PHE 58 HB2 PHE 58 5.076 -5.297 0.639 436 HB3 PHE 58 HB1 PHE 58 4.386 -4.180 -0.532 437 HD1 PHE 58 HD1 PHE 58 2.065 -4.656 -1.411 438 HD2 PHE 58 HD2 PHE 58 3.706 -6.627 1.983 439 HE1 PHE 58 HE1 PHE 58 -0.194 -5.277 -0.683 440 HE2 PHE 58 HE2 PHE 58 1.447 -7.251 2.714 441 HZ PHE 58 HZ PHE 58 -0.495 -6.600 1.393 442 HA PRO 59 HA PRO 59 6.429 -10.053 -0.875 443 HB2 PRO 59 HB2 PRO 59 7.328 -9.295 1.870 444 HB3 PRO 59 HB1 PRO 59 8.112 -10.340 0.679 445 HG2 PRO 59 HG2 PRO 59 8.989 -7.864 1.087 446 HG3 PRO 59 HG1 PRO 59 8.931 -8.548 -0.548 447 HD2 PRO 59 HD2 PRO 59 7.142 -6.539 0.737 448 HD3 PRO 59 HD1 PRO 59 7.660 -6.677 -0.956 449 H SER 60 HN SER 60 5.583 -8.721 2.318 450 HA SER 60 HA SER 60 2.938 -9.620 2.398 451 HB2 SER 60 HB2 SER 60 3.262 -11.537 4.031 452 HB3 SER 60 HB1 SER 60 3.726 -11.880 2.364 453 HG SER 60 HG SER 60 5.219 -12.059 4.558 454 H SER 61 HN SER 61 1.927 -8.700 4.089 455 HA SER 61 HA SER 61 1.566 -7.412 5.918 456 HB2 SER 61 HB2 SER 61 2.274 -9.514 7.029 457 HB3 SER 61 HB1 SER 61 3.938 -8.929 7.033 458 HG SER 61 HG SER 61 3.379 -7.334 8.456 459 H LEU 62 HN LEU 62 2.460 -5.711 4.336 460 HA LEU 62 HA LEU 62 5.030 -4.610 4.858 461 HB2 LEU 62 HB2 LEU 62 3.831 -4.276 2.733 462 HB3 LEU 62 HB1 LEU 62 2.611 -3.341 3.573 463 HG LEU 62 HG LEU 62 4.350 -1.664 4.162 464 HD11 LEU 62 HD11 LEU 62 6.090 -3.316 2.334 465 HD12 LEU 62 HD12 LEU 62 6.310 -3.098 4.070 466 HD13 LEU 62 HD13 LEU 62 6.493 -1.725 2.979 467 HD21 LEU 62 HD21 LEU 62 2.916 -1.315 2.233 468 HD22 LEU 62 HD22 LEU 62 4.020 -2.246 1.220 469 HD23 LEU 62 HD23 LEU 62 4.540 -0.708 1.911 470 H GLY 63 HN GLY 63 1.829 -4.103 6.133 471 HA2 GLY 63 HA2 GLY 63 2.979 -2.306 8.152 472 HA3 GLY 63 HA1 GLY 63 1.487 -1.867 7.330 473 H GLU 64 HN GLU 64 0.854 -1.816 9.683 474 HA GLU 64 HA GLU 64 0.393 -4.366 10.941 475 HB2 GLU 64 HB2 GLU 64 -0.426 -1.552 11.646 476 HB3 GLU 64 HB1 GLU 64 -0.894 -2.952 12.602 477 HG2 GLU 64 HG2 GLU 64 1.412 -3.460 13.071 478 HG3 GLU 64 HG1 GLU 64 1.944 -2.157 12.012 479 H ALA 65 HN ALA 65 -1.243 -5.656 10.517 480 HA ALA 65 HA ALA 65 -3.342 -4.859 8.747 481 HB1 ALA 65 HB1 ALA 65 -4.130 -7.146 8.959 482 HB2 ALA 65 HB2 ALA 65 -3.027 -7.418 10.311 483 HB3 ALA 65 HB3 ALA 65 -2.387 -7.116 8.695 484 H ILE 66 HN ILE 66 -4.906 -3.587 9.441 485 HA ILE 66 HA ILE 66 -6.039 -4.030 12.109 486 HB ILE 66 HB ILE 66 -7.238 -1.908 11.781 487 HG12 ILE 66 HG12 ILE 66 -5.724 -1.747 9.160 488 HG13 ILE 66 HG11 ILE 66 -7.458 -2.013 9.318 489 HG21 ILE 66 HG21 ILE 66 -4.271 -1.754 11.261 490 HG22 ILE 66 HG22 ILE 66 -5.059 -1.873 12.833 491 HG23 ILE 66 HG23 ILE 66 -5.272 -0.427 11.849 492 HD11 ILE 66 HD11 ILE 66 -5.963 0.446 10.190 493 HD12 ILE 66 HD12 ILE 66 -7.699 0.181 10.347 494 HD13 ILE 66 HD13 ILE 66 -6.965 0.289 8.747 495 H VAL 67 HN VAL 67 -6.600 -4.557 8.791 496 HA VAL 67 HA VAL 67 -8.223 -5.586 7.605 497 HB VAL 67 HB VAL 67 -9.237 -6.531 10.286 498 HG11 VAL 67 HG11 VAL 67 -10.240 -8.371 9.010 499 HG12 VAL 67 HG12 VAL 67 -9.698 -7.617 7.509 500 HG13 VAL 67 HG13 VAL 67 -10.895 -6.807 8.522 501 HG21 VAL 67 HG21 VAL 67 -6.901 -7.129 9.952 502 HG22 VAL 67 HG22 VAL 67 -7.290 -7.808 8.370 503 HG23 VAL 67 HG23 VAL 67 -7.932 -8.558 9.831 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -4.935 -19.543 0.339 2 H2 GLY 1 HT2 GLY 1 -4.606 -18.470 -0.926 3 H3 GLY 1 HT3 GLY 1 -6.183 -19.021 -0.673 4 HA2 GLY 1 HA1 GLY 1 -6.276 -17.883 1.449 5 HA3 GLY 1 HA2 GLY 1 -4.633 -17.316 1.192 6 H SER 2 HN SER 2 -7.500 -16.109 1.343 7 HA SER 2 HA SER 2 -6.951 -14.034 -0.603 8 HB2 SER 2 HB2 SER 2 -9.602 -15.503 -0.652 9 HB3 SER 2 HB1 SER 2 -9.137 -14.143 -1.674 10 HG SER 2 HG SER 2 -7.261 -15.864 -2.069 11 H HIS 3 HN HIS 3 -6.876 -14.141 2.222 12 HA HIS 3 HA HIS 3 -9.179 -13.372 3.572 13 HB2 HIS 3 HB2 HIS 3 -7.113 -13.998 4.715 14 HB3 HIS 3 HB1 HIS 3 -6.312 -12.558 4.101 15 HD2 HIS 3 HD2 HIS 3 -9.486 -13.202 6.381 16 HE1 HIS 3 HE1 HIS 3 -7.320 -9.841 7.763 17 HE2 HIS 3 HE2 HIS 3 -9.219 -11.442 8.265 18 H MET 4 HN MET 4 -6.637 -11.197 2.345 19 HA MET 4 HA MET 4 -6.644 -9.039 1.663 20 HB2 MET 4 HB2 MET 4 -8.578 -9.606 0.258 21 HB3 MET 4 HB1 MET 4 -9.656 -9.300 1.612 22 HG2 MET 4 HG2 MET 4 -8.899 -6.955 1.643 23 HG3 MET 4 HG1 MET 4 -7.906 -7.283 0.226 24 HE1 MET 4 HE1 MET 4 -12.515 -7.434 0.270 25 HE2 MET 4 HE2 MET 4 -11.522 -7.016 1.666 26 HE3 MET 4 HE3 MET 4 -11.519 -8.664 1.043 27 H LEU 5 HN LEU 5 -6.163 -7.366 2.898 28 HA LEU 5 HA LEU 5 -7.710 -6.830 5.304 29 HB2 LEU 5 HB2 LEU 5 -5.581 -6.877 6.668 30 HB3 LEU 5 HB1 LEU 5 -6.227 -8.435 6.197 31 HG LEU 5 HG LEU 5 -4.095 -7.178 4.513 32 HD11 LEU 5 HD11 LEU 5 -3.215 -6.997 6.760 33 HD12 LEU 5 HD12 LEU 5 -2.390 -8.288 5.886 34 HD13 LEU 5 HD13 LEU 5 -3.628 -8.680 7.082 35 HD21 LEU 5 HD21 LEU 5 -5.173 -9.208 3.711 36 HD22 LEU 5 HD22 LEU 5 -4.794 -10.026 5.227 37 HD23 LEU 5 HD23 LEU 5 -3.493 -9.532 4.144 38 H GLN 6 HN GLN 6 -7.191 -4.834 6.299 39 HA GLN 6 HA GLN 6 -5.776 -2.964 4.536 40 HB2 GLN 6 HB2 GLN 6 -8.069 -2.352 5.048 41 HB3 GLN 6 HB1 GLN 6 -7.764 -2.522 6.769 42 HG2 GLN 6 HG2 GLN 6 -6.209 -0.637 6.670 43 HG3 GLN 6 HG1 GLN 6 -6.550 -0.460 4.948 44 HE21 GLN 6 HE21 GLN 6 -7.000 1.383 7.212 45 HE22 GLN 6 HE22 GLN 6 -8.681 1.776 7.157 46 H VAL 7 HN VAL 7 -3.915 -2.071 5.173 47 HA VAL 7 HA VAL 7 -3.027 -2.651 7.917 48 HB VAL 7 HB VAL 7 -0.729 -2.795 7.097 49 HG11 VAL 7 HG11 VAL 7 -0.924 -4.909 5.824 50 HG12 VAL 7 HG12 VAL 7 -2.653 -4.610 5.645 51 HG13 VAL 7 HG13 VAL 7 -1.963 -4.862 7.247 52 HG21 VAL 7 HG21 VAL 7 -0.217 -2.853 4.721 53 HG22 VAL 7 HG22 VAL 7 -0.939 -1.304 5.165 54 HG23 VAL 7 HG23 VAL 7 -1.906 -2.526 4.336 55 H ARG 8 HN ARG 8 -1.871 -1.129 9.000 56 HA ARG 8 HA ARG 8 -1.841 1.582 7.858 57 HB2 ARG 8 HB2 ARG 8 -1.573 0.637 10.728 58 HB3 ARG 8 HB1 ARG 8 -1.503 2.315 10.212 59 HG2 ARG 8 HG2 ARG 8 -3.793 2.244 9.493 60 HG3 ARG 8 HG1 ARG 8 -3.886 0.516 9.840 61 HD2 ARG 8 HD2 ARG 8 -3.556 0.933 12.198 62 HD3 ARG 8 HD1 ARG 8 -3.318 2.652 11.893 63 HE ARG 8 HE ARG 8 -5.801 2.059 10.865 64 HH11 ARG 8 HH11 ARG 8 -4.270 1.763 14.001 65 HH12 ARG 8 HH12 ARG 8 -5.729 2.079 14.882 66 HH21 ARG 8 HH21 ARG 8 -7.728 2.459 12.022 67 HH22 ARG 8 HH22 ARG 8 -7.700 2.473 13.757 68 H ALA 9 HN ALA 9 0.059 1.911 6.850 69 HA ALA 9 HA ALA 9 2.418 0.566 7.980 70 HB1 ALA 9 HB1 ALA 9 3.347 0.513 5.749 71 HB2 ALA 9 HB2 ALA 9 1.957 1.400 5.126 72 HB3 ALA 9 HB3 ALA 9 1.748 -0.233 5.759 73 H THR 10 HN THR 10 3.963 1.773 8.794 74 HA THR 10 HA THR 10 4.205 4.548 7.871 75 HB THR 10 HB THR 10 5.782 4.682 9.929 76 HG1 THR 10 HG1 THR 10 5.969 2.612 10.608 77 HG21 THR 10 HG21 THR 10 3.872 5.121 11.424 78 HG22 THR 10 HG22 THR 10 2.801 4.334 10.262 79 HG23 THR 10 HG23 THR 10 3.641 5.823 9.823 80 H LYS 11 HN LYS 11 5.417 4.402 6.096 81 HA LYS 11 HA LYS 11 8.218 3.984 6.372 82 HB2 LYS 11 HB2 LYS 11 7.475 1.639 6.067 83 HB3 LYS 11 HB1 LYS 11 6.670 2.096 4.574 84 HG2 LYS 11 HG2 LYS 11 8.799 2.666 3.565 85 HG3 LYS 11 HG1 LYS 11 9.631 2.293 5.076 86 HD2 LYS 11 HD2 LYS 11 8.867 -0.031 4.914 87 HD3 LYS 11 HD1 LYS 11 8.055 0.349 3.395 88 HE2 LYS 11 HE2 LYS 11 10.223 -0.731 3.019 89 HE3 LYS 11 HE1 LYS 11 10.185 0.906 2.369 90 HZ1 LYS 11 HZ1 LYS 11 11.384 1.676 4.310 91 HZ2 LYS 11 HZ2 LYS 11 12.250 0.453 3.527 92 HZ3 LYS 11 HZ3 LYS 11 11.410 0.111 4.951 93 H ASP 12 HN ASP 12 9.279 5.168 4.825 94 HA ASP 12 HA ASP 12 7.662 6.809 3.095 95 HB2 ASP 12 HB2 ASP 12 9.872 7.836 2.479 96 HB3 ASP 12 HB1 ASP 12 9.501 7.885 4.197 97 H TYR 13 HN TYR 13 7.028 4.554 2.146 98 HA TYR 13 HA TYR 13 8.903 3.425 0.268 99 HB2 TYR 13 HB2 TYR 13 7.152 2.168 1.681 100 HB3 TYR 13 HB1 TYR 13 5.983 2.732 0.495 101 HD1 TYR 13 HD1 TYR 13 9.151 0.791 0.806 102 HD2 TYR 13 HD2 TYR 13 5.643 1.537 -1.469 103 HE1 TYR 13 HE1 TYR 13 9.702 -1.106 -0.660 104 HE2 TYR 13 HE2 TYR 13 6.174 -0.361 -2.934 105 HH TYR 13 HH TYR 13 8.484 -2.686 -2.171 106 H CYS 14 HN CYS 14 8.764 3.485 -1.941 107 HA CYS 14 HA CYS 14 8.415 4.357 -3.988 108 HB2 CYS 14 HB2 CYS 14 6.187 3.366 -3.744 109 HB3 CYS 14 HB1 CYS 14 5.609 4.836 -2.976 110 HG CYS 14 HG CYS 14 4.599 5.562 -5.242 111 H ASN 15 HN ASN 15 6.006 6.635 -2.913 112 HA ASN 15 HA ASN 15 5.942 8.903 -3.021 113 HB2 ASN 15 HB2 ASN 15 8.530 8.370 -1.609 114 HB3 ASN 15 HB1 ASN 15 8.086 10.022 -2.017 115 HD21 ASN 15 HD21 ASN 15 7.161 7.177 -0.215 116 HD22 ASN 15 HD22 ASN 15 6.133 7.990 0.913 117 H ASN 16 HN ASN 16 6.891 7.527 -5.385 118 HA ASN 16 HA ASN 16 8.648 9.608 -6.499 119 HB2 ASN 16 HB2 ASN 16 9.785 7.384 -6.174 120 HB3 ASN 16 HB1 ASN 16 8.648 6.703 -7.332 121 HD21 ASN 16 HD21 ASN 16 10.374 6.141 -8.704 122 HD22 ASN 16 HD22 ASN 16 11.183 7.328 -9.666 123 H TYR 17 HN TYR 17 8.490 9.647 -8.970 124 HA TYR 17 HA TYR 17 5.811 10.307 -9.566 125 HB2 TYR 17 HB2 TYR 17 8.180 10.063 -11.432 126 HB3 TYR 17 HB1 TYR 17 6.658 10.866 -11.806 127 HD1 TYR 17 HD1 TYR 17 6.012 12.920 -10.470 128 HD2 TYR 17 HD2 TYR 17 9.899 11.200 -10.293 129 HE1 TYR 17 HE1 TYR 17 6.898 15.026 -9.561 130 HE2 TYR 17 HE2 TYR 17 10.794 13.301 -9.381 131 HH TYR 17 HH TYR 17 10.100 15.797 -9.497 132 H ASP 18 HN ASP 18 7.798 8.142 -11.586 133 HA ASP 18 HA ASP 18 5.346 6.587 -12.029 134 HB2 ASP 18 HB2 ASP 18 7.628 7.285 -13.825 135 HB3 ASP 18 HB1 ASP 18 6.722 5.807 -14.122 136 H LEU 19 HN LEU 19 5.390 4.989 -10.641 137 HA LEU 19 HA LEU 19 7.144 2.777 -11.115 138 HB2 LEU 19 HB2 LEU 19 7.336 4.330 -8.547 139 HB3 LEU 19 HB1 LEU 19 7.599 2.601 -8.550 140 HG LEU 19 HG LEU 19 9.219 4.629 -10.097 141 HD11 LEU 19 HD11 LEU 19 9.597 4.717 -7.682 142 HD12 LEU 19 HD12 LEU 19 10.998 4.067 -8.533 143 HD13 LEU 19 HD13 LEU 19 9.908 2.983 -7.668 144 HD21 LEU 19 HD21 LEU 19 9.113 2.514 -11.286 145 HD22 LEU 19 HD22 LEU 19 9.539 1.642 -9.814 146 HD23 LEU 19 HD23 LEU 19 10.709 2.725 -10.567 147 H THR 20 HN THR 20 6.304 0.832 -10.095 148 HA THR 20 HA THR 20 3.553 1.183 -9.124 149 HB THR 20 HB THR 20 4.882 -1.364 -10.078 150 HG1 THR 20 HG1 THR 20 4.537 -0.531 -11.994 151 HG21 THR 20 HG21 THR 20 3.015 -1.772 -8.574 152 HG22 THR 20 HG22 THR 20 2.560 -2.190 -10.226 153 HG23 THR 20 HG23 THR 20 1.995 -0.681 -9.512 154 H SER 21 HN SER 21 3.652 1.480 -7.006 155 HA SER 21 HA SER 21 4.712 -0.499 -5.237 156 HB2 SER 21 HB2 SER 21 6.119 2.168 -5.527 157 HB3 SER 21 HB1 SER 21 6.320 1.112 -4.132 158 HG SER 21 HG SER 21 6.667 -0.138 -6.563 159 H LEU 22 HN LEU 22 4.265 0.068 -2.992 160 HA LEU 22 HA LEU 22 1.815 1.446 -2.657 161 HB2 LEU 22 HB2 LEU 22 3.825 0.429 -0.645 162 HB3 LEU 22 HB1 LEU 22 2.280 1.122 -0.203 163 HG LEU 22 HG LEU 22 1.966 -1.193 -0.068 164 HD11 LEU 22 HD11 LEU 22 0.181 -0.028 -1.268 165 HD12 LEU 22 HD12 LEU 22 0.343 -1.709 -1.779 166 HD13 LEU 22 HD13 LEU 22 0.972 -0.414 -2.798 167 HD21 LEU 22 HD21 LEU 22 4.011 -1.874 -1.229 168 HD22 LEU 22 HD22 LEU 22 3.258 -1.485 -2.775 169 HD23 LEU 22 HD23 LEU 22 2.607 -2.789 -1.782 170 H ASN 23 HN ASN 23 1.662 3.587 -2.816 171 HA ASN 23 HA ASN 23 3.903 5.316 -2.311 172 HB2 ASN 23 HB2 ASN 23 2.119 5.711 -4.084 173 HB3 ASN 23 HB1 ASN 23 1.042 6.171 -2.766 174 HD21 ASN 23 HD21 ASN 23 0.828 8.293 -3.388 175 HD22 ASN 23 HD22 ASN 23 2.126 9.430 -3.305 176 H VAL 24 HN VAL 24 4.227 4.686 -0.094 177 HA VAL 24 HA VAL 24 2.154 5.499 1.800 178 HB VAL 24 HB VAL 24 4.772 4.143 2.436 179 HG11 VAL 24 HG11 VAL 24 3.601 3.418 4.453 180 HG12 VAL 24 HG12 VAL 24 2.158 4.289 3.931 181 HG13 VAL 24 HG13 VAL 24 3.630 5.177 4.324 182 HG21 VAL 24 HG21 VAL 24 3.587 2.762 0.829 183 HG22 VAL 24 HG22 VAL 24 2.119 2.857 1.801 184 HG23 VAL 24 HG23 VAL 24 3.540 2.020 2.429 185 H LYS 25 HN LYS 25 2.236 7.412 2.717 186 HA LYS 25 HA LYS 25 4.525 9.134 2.433 187 HB2 LYS 25 HB2 LYS 25 3.078 10.793 3.575 188 HB3 LYS 25 HB1 LYS 25 2.293 10.045 2.192 189 HG2 LYS 25 HG2 LYS 25 1.139 8.494 3.759 190 HG3 LYS 25 HG1 LYS 25 1.826 9.415 5.096 191 HD2 LYS 25 HD2 LYS 25 0.665 11.406 4.363 192 HD3 LYS 25 HD1 LYS 25 0.060 10.559 2.937 193 HE2 LYS 25 HE2 LYS 25 -1.113 8.975 4.453 194 HE3 LYS 25 HE1 LYS 25 -0.608 9.969 5.818 195 HZ1 LYS 25 HZ1 LYS 25 -1.803 11.837 4.798 196 HZ2 LYS 25 HZ2 LYS 25 -2.825 10.547 5.172 197 HZ3 LYS 25 HZ3 LYS 25 -2.351 10.809 3.570 198 H ALA 26 HN ALA 26 5.123 6.865 3.999 199 HA ALA 26 HA ALA 26 5.974 6.151 5.975 200 HB1 ALA 26 HB1 ALA 26 6.421 9.092 6.452 201 HB2 ALA 26 HB2 ALA 26 7.510 8.007 5.588 202 HB3 ALA 26 HB3 ALA 26 7.211 7.768 7.310 203 H GLY 27 HN GLY 27 3.231 6.367 5.889 204 HA2 GLY 27 HA2 GLY 27 2.255 5.802 8.282 205 HA3 GLY 27 HA1 GLY 27 2.335 7.559 8.385 206 H ASP 28 HN ASP 28 1.117 4.951 6.298 207 HA ASP 28 HA ASP 28 -1.197 6.654 5.676 208 HB2 ASP 28 HB2 ASP 28 0.779 6.482 3.896 209 HB3 ASP 28 HB1 ASP 28 -0.066 4.999 3.477 210 H ILE 29 HN ILE 29 -2.764 5.269 4.263 211 HA ILE 29 HA ILE 29 -3.205 2.761 5.744 212 HB ILE 29 HB ILE 29 -5.151 4.609 4.357 213 HG12 ILE 29 HG12 ILE 29 -4.398 5.437 6.523 214 HG13 ILE 29 HG11 ILE 29 -6.082 4.934 6.611 215 HG21 ILE 29 HG21 ILE 29 -6.923 3.125 5.158 216 HG22 ILE 29 HG22 ILE 29 -5.702 2.001 5.756 217 HG23 ILE 29 HG23 ILE 29 -5.842 2.313 4.026 218 HD11 ILE 29 HD11 ILE 29 -3.698 3.408 7.625 219 HD12 ILE 29 HD12 ILE 29 -5.358 2.817 7.645 220 HD13 ILE 29 HD13 ILE 29 -4.915 4.237 8.592 221 H ILE 30 HN ILE 30 -2.932 0.943 4.632 222 HA ILE 30 HA ILE 30 -3.144 1.082 1.693 223 HB ILE 30 HB ILE 30 -1.528 -0.945 3.228 224 HG12 ILE 30 HG12 ILE 30 -0.561 1.611 1.933 225 HG13 ILE 30 HG11 ILE 30 -0.650 1.316 3.668 226 HG21 ILE 30 HG21 ILE 30 -2.160 -1.621 0.988 227 HG22 ILE 30 HG22 ILE 30 -0.431 -1.281 1.052 228 HG23 ILE 30 HG23 ILE 30 -1.534 -0.109 0.333 229 HD11 ILE 30 HD11 ILE 30 1.089 -0.150 1.699 230 HD12 ILE 30 HD12 ILE 30 0.972 -0.503 3.424 231 HD13 ILE 30 HD13 ILE 30 1.614 1.048 2.883 232 H THR 31 HN THR 31 -4.539 -0.243 0.719 233 HA THR 31 HA THR 31 -5.927 -2.254 2.355 234 HB THR 31 HB THR 31 -6.768 -1.270 -0.373 235 HG1 THR 31 HG1 THR 31 -6.976 0.582 0.702 236 HG21 THR 31 HG21 THR 31 -8.310 -2.512 1.908 237 HG22 THR 31 HG22 THR 31 -7.803 -3.344 0.438 238 HG23 THR 31 HG23 THR 31 -8.977 -2.030 0.348 239 H VAL 32 HN VAL 32 -4.915 -4.180 2.170 240 HA VAL 32 HA VAL 32 -3.669 -4.806 -0.417 241 HB VAL 32 HB VAL 32 -2.035 -6.120 0.705 242 HG11 VAL 32 HG11 VAL 32 -2.462 -3.555 2.226 243 HG12 VAL 32 HG12 VAL 32 -1.597 -3.736 0.699 244 HG13 VAL 32 HG13 VAL 32 -0.958 -4.475 2.169 245 HG21 VAL 32 HG21 VAL 32 -1.995 -6.466 3.123 246 HG22 VAL 32 HG22 VAL 32 -3.447 -7.159 2.396 247 HG23 VAL 32 HG23 VAL 32 -3.542 -5.628 3.268 248 H LEU 33 HN LEU 33 -3.916 -6.815 -1.332 249 HA LEU 33 HA LEU 33 -6.015 -8.480 -0.126 250 HB2 LEU 33 HB2 LEU 33 -6.300 -9.448 -2.416 251 HB3 LEU 33 HB1 LEU 33 -6.768 -7.767 -2.259 252 HG LEU 33 HG LEU 33 -4.012 -8.318 -3.235 253 HD11 LEU 33 HD11 LEU 33 -4.820 -8.624 -5.519 254 HD12 LEU 33 HD12 LEU 33 -6.482 -8.670 -4.931 255 HD13 LEU 33 HD13 LEU 33 -5.349 -9.943 -4.475 256 HD21 LEU 33 HD21 LEU 33 -4.535 -6.368 -4.634 257 HD22 LEU 33 HD22 LEU 33 -4.788 -6.032 -2.922 258 HD23 LEU 33 HD23 LEU 33 -6.170 -6.341 -3.974 259 H GLU 34 HN GLU 34 -5.763 -10.812 -0.391 260 HA GLU 34 HA GLU 34 -2.945 -11.500 0.016 261 HB2 GLU 34 HB2 GLU 34 -4.288 -11.987 1.944 262 HB3 GLU 34 HB1 GLU 34 -5.489 -12.823 0.966 263 HG2 GLU 34 HG2 GLU 34 -3.937 -14.600 0.496 264 HG3 GLU 34 HG1 GLU 34 -2.648 -13.742 1.337 265 H GLN 35 HN GLN 35 -1.962 -12.510 -1.545 266 HA GLN 35 HA GLN 35 -3.534 -14.206 -3.363 267 HB2 GLN 35 HB2 GLN 35 -1.085 -12.544 -3.978 268 HB3 GLN 35 HB1 GLN 35 -1.866 -13.639 -5.109 269 HG2 GLN 35 HG2 GLN 35 -3.898 -12.299 -5.016 270 HG3 GLN 35 HG1 GLN 35 -3.129 -11.208 -3.863 271 HE21 GLN 35 HE21 GLN 35 -3.253 -12.266 -7.164 272 HE22 GLN 35 HE22 GLN 35 -2.340 -10.957 -7.827 273 H HIS 36 HN HIS 36 -0.087 -13.696 -2.623 274 HA HIS 36 HA HIS 36 0.117 -16.541 -1.924 275 HB2 HIS 36 HB2 HIS 36 2.004 -14.979 -3.698 276 HB3 HIS 36 HB1 HIS 36 2.354 -16.577 -3.050 277 HD2 HIS 36 HD2 HIS 36 0.091 -14.885 -5.734 278 HE1 HIS 36 HE1 HIS 36 -0.028 -19.080 -6.250 279 HE2 HIS 36 HE2 HIS 36 -0.565 -16.844 -7.306 280 HA PRO 37 HA PRO 37 1.743 -14.103 1.612 281 HB2 PRO 37 HB2 PRO 37 1.665 -16.303 3.291 282 HB3 PRO 37 HB1 PRO 37 0.356 -15.137 3.085 283 HG2 PRO 37 HG2 PRO 37 0.711 -17.829 1.855 284 HG3 PRO 37 HG1 PRO 37 -0.767 -17.051 2.446 285 HD2 PRO 37 HD2 PRO 37 -0.201 -17.208 -0.172 286 HD3 PRO 37 HD1 PRO 37 -1.023 -15.795 0.518 287 H ASP 38 HN ASP 38 2.847 -16.988 0.060 288 HA ASP 38 HA ASP 38 5.347 -17.109 1.501 289 HB2 ASP 38 HB2 ASP 38 4.388 -19.175 0.666 290 HB3 ASP 38 HB1 ASP 38 4.374 -18.545 -0.976 291 H GLY 39 HN GLY 39 4.076 -15.377 -1.124 292 HA2 GLY 39 HA2 GLY 39 6.793 -14.652 -2.005 293 HA3 GLY 39 HA1 GLY 39 5.462 -14.840 -3.134 294 H ARG 40 HN ARG 40 4.175 -13.123 -3.552 295 HA ARG 40 HA ARG 40 4.531 -10.757 -1.854 296 HB2 ARG 40 HB2 ARG 40 4.688 -9.332 -3.828 297 HB3 ARG 40 HB1 ARG 40 5.977 -10.527 -3.817 298 HG2 ARG 40 HG2 ARG 40 4.696 -11.886 -5.420 299 HG3 ARG 40 HG1 ARG 40 3.463 -10.626 -5.466 300 HD2 ARG 40 HD2 ARG 40 4.963 -10.415 -7.363 301 HD3 ARG 40 HD1 ARG 40 5.134 -9.030 -6.284 302 HE ARG 40 HE ARG 40 7.068 -10.734 -5.441 303 HH11 ARG 40 HH11 ARG 40 6.250 -9.397 -8.573 304 HH12 ARG 40 HH12 ARG 40 7.887 -9.421 -9.150 305 HH21 ARG 40 HH21 ARG 40 9.220 -10.761 -6.194 306 HH22 ARG 40 HH22 ARG 40 9.579 -10.190 -7.793 307 H TRP 41 HN TRP 41 2.860 -9.255 -1.895 308 HA TRP 41 HA TRP 41 0.303 -10.203 -3.000 309 HB2 TRP 41 HB2 TRP 41 0.867 -8.651 -0.469 310 HB3 TRP 41 HB1 TRP 41 -0.738 -8.808 -1.163 311 HD1 TRP 41 HD1 TRP 41 0.543 -12.088 -1.734 312 HE1 TRP 41 HE1 TRP 41 -0.029 -13.698 0.194 313 HE3 TRP 41 HE3 TRP 41 -0.736 -8.664 1.830 314 HZ2 TRP 41 HZ2 TRP 41 -0.909 -13.525 2.875 315 HZ3 TRP 41 HZ3 TRP 41 -1.427 -9.458 4.041 316 HH2 TRP 41 HH2 TRP 41 -1.517 -11.841 4.555 317 H LYS 42 HN LYS 42 -1.200 -8.426 -3.473 318 HA LYS 42 HA LYS 42 0.210 -6.017 -4.383 319 HB2 LYS 42 HB2 LYS 42 -0.932 -7.415 -6.124 320 HB3 LYS 42 HB1 LYS 42 -2.457 -7.097 -5.314 321 HG2 LYS 42 HG2 LYS 42 -2.313 -4.764 -5.810 322 HG3 LYS 42 HG1 LYS 42 -0.676 -4.950 -6.437 323 HD2 LYS 42 HD2 LYS 42 -2.142 -4.809 -8.309 324 HD3 LYS 42 HD1 LYS 42 -1.614 -6.485 -8.182 325 HE2 LYS 42 HE2 LYS 42 -3.942 -6.524 -8.638 326 HE3 LYS 42 HE1 LYS 42 -3.749 -6.954 -6.941 327 HZ1 LYS 42 HZ1 LYS 42 -4.343 -4.700 -6.332 328 HZ2 LYS 42 HZ2 LYS 42 -5.559 -5.376 -7.289 329 HZ3 LYS 42 HZ3 LYS 42 -4.483 -4.261 -7.957 330 H GLY 43 HN GLY 43 -0.584 -4.011 -3.777 331 HA2 GLY 43 HA2 GLY 43 -2.980 -3.970 -2.094 332 HA3 GLY 43 HA1 GLY 43 -1.475 -3.382 -1.405 333 H CYS 44 HN CYS 44 -3.854 -1.898 -1.742 334 HA CYS 44 HA CYS 44 -2.957 0.115 -3.702 335 HB2 CYS 44 HB2 CYS 44 -5.768 -0.361 -2.687 336 HB3 CYS 44 HB1 CYS 44 -5.284 0.790 -3.929 337 HG CYS 44 HG CYS 44 -6.277 -0.989 -5.584 338 H ILE 45 HN ILE 45 -3.288 2.339 -3.058 339 HA ILE 45 HA ILE 45 -2.985 2.656 -0.153 340 HB ILE 45 HB ILE 45 -2.326 4.611 -2.372 341 HG12 ILE 45 HG12 ILE 45 -0.894 2.619 -2.462 342 HG13 ILE 45 HG11 ILE 45 0.017 4.040 -1.963 343 HG21 ILE 45 HG21 ILE 45 -1.072 5.824 -0.651 344 HG22 ILE 45 HG22 ILE 45 -1.643 4.678 0.562 345 HG23 ILE 45 HG23 ILE 45 -2.792 5.729 -0.267 346 HD11 ILE 45 HD11 ILE 45 -1.005 1.859 -0.160 347 HD12 ILE 45 HD12 ILE 45 -0.130 3.298 0.365 348 HD13 ILE 45 HD13 ILE 45 0.664 2.112 -0.668 349 H HIS 46 HN HIS 46 -4.266 4.099 0.997 350 HA HIS 46 HA HIS 46 -6.661 4.997 -0.447 351 HB2 HIS 46 HB2 HIS 46 -7.106 3.551 1.472 352 HB3 HIS 46 HB1 HIS 46 -6.188 4.627 2.521 353 HD2 HIS 46 HD2 HIS 46 -7.640 6.557 3.709 354 HE1 HIS 46 HE1 HIS 46 -11.095 6.180 1.298 355 HE2 HIS 46 HE2 HIS 46 -10.138 7.191 3.414 356 H ASP 47 HN ASP 47 -6.502 6.995 -1.155 357 HA ASP 47 HA ASP 47 -4.789 8.969 -0.115 358 HB2 ASP 47 HB2 ASP 47 -5.592 9.105 -2.400 359 HB3 ASP 47 HB1 ASP 47 -7.255 9.242 -1.840 360 H ASN 48 HN ASN 48 -4.945 9.848 1.818 361 HA ASN 48 HA ASN 48 -7.513 9.977 3.163 362 HB2 ASN 48 HB2 ASN 48 -4.685 10.518 4.058 363 HB3 ASN 48 HB1 ASN 48 -6.075 10.897 5.070 364 HD21 ASN 48 HD21 ASN 48 -4.111 8.370 3.723 365 HD22 ASN 48 HD22 ASN 48 -4.797 7.081 4.643 366 H ARG 49 HN ARG 49 -5.510 12.014 1.309 367 HA ARG 49 HA ARG 49 -7.313 14.203 1.550 368 HB2 ARG 49 HB2 ARG 49 -6.029 14.485 3.654 369 HB3 ARG 49 HB1 ARG 49 -4.550 14.598 2.713 370 HG2 ARG 49 HG2 ARG 49 -5.309 16.630 1.672 371 HG3 ARG 49 HG1 ARG 49 -6.873 16.496 2.477 372 HD2 ARG 49 HD2 ARG 49 -4.201 16.862 3.828 373 HD3 ARG 49 HD1 ARG 49 -5.437 18.102 3.617 374 HE ARG 49 HE ARG 49 -6.604 15.939 4.944 375 HH11 ARG 49 HH11 ARG 49 -4.195 18.413 5.512 376 HH12 ARG 49 HH12 ARG 49 -4.419 18.415 7.231 377 HH21 ARG 49 HH21 ARG 49 -6.896 15.938 7.214 378 HH22 ARG 49 HH22 ARG 49 -5.950 17.008 8.199 379 H THR 50 HN THR 50 -3.841 13.699 0.870 380 HA THR 50 HA THR 50 -4.281 14.334 -1.918 381 HB THR 50 HB THR 50 -4.055 16.563 -0.960 382 HG1 THR 50 HG1 THR 50 -1.994 15.547 -2.591 383 HG21 THR 50 HG21 THR 50 -2.820 16.029 1.061 384 HG22 THR 50 HG22 THR 50 -1.974 17.272 0.140 385 HG23 THR 50 HG23 THR 50 -1.400 15.604 0.104 386 H GLY 51 HN GLY 51 -3.429 12.020 -0.506 387 HA2 GLY 51 HA2 GLY 51 -0.569 11.815 -1.163 388 HA3 GLY 51 HA1 GLY 51 -1.488 10.662 -0.200 389 H ASN 52 HN ASN 52 -3.673 11.038 -2.264 390 HA ASN 52 HA ASN 52 -4.444 10.160 -4.194 391 HB2 ASN 52 HB2 ASN 52 -1.524 9.897 -4.901 392 HB3 ASN 52 HB1 ASN 52 -2.841 9.505 -6.002 393 HD21 ASN 52 HD21 ASN 52 -1.118 12.027 -4.375 394 HD22 ASN 52 HD22 ASN 52 -1.788 13.348 -5.269 395 H ASP 53 HN ASP 53 -4.822 8.123 -5.248 396 HA ASP 53 HA ASP 53 -4.104 5.906 -3.473 397 HB2 ASP 53 HB2 ASP 53 -6.084 4.752 -4.405 398 HB3 ASP 53 HB1 ASP 53 -6.496 6.283 -3.647 399 H ARG 54 HN ARG 54 -2.474 4.753 -4.151 400 HA ARG 54 HA ARG 54 -2.229 4.181 -7.030 401 HB2 ARG 54 HB2 ARG 54 -0.012 4.505 -4.996 402 HB3 ARG 54 HB1 ARG 54 0.219 4.014 -6.667 403 HG2 ARG 54 HG2 ARG 54 -0.826 6.667 -5.702 404 HG3 ARG 54 HG1 ARG 54 0.765 6.347 -6.396 405 HD2 ARG 54 HD2 ARG 54 -1.894 6.067 -7.798 406 HD3 ARG 54 HD1 ARG 54 -0.711 7.347 -8.049 407 HE ARG 54 HE ARG 54 0.493 4.839 -8.512 408 HH11 ARG 54 HH11 ARG 54 -1.788 7.077 -9.933 409 HH12 ARG 54 HH12 ARG 54 -1.509 6.532 -11.556 410 HH21 ARG 54 HH21 ARG 54 0.880 4.138 -10.659 411 HH22 ARG 54 HH22 ARG 54 0.015 4.875 -11.971 412 H VAL 55 HN VAL 55 -1.166 2.117 -7.518 413 HA VAL 55 HA VAL 55 -1.726 0.114 -5.440 414 HB VAL 55 HB VAL 55 -3.173 -0.086 -7.426 415 HG11 VAL 55 HG11 VAL 55 -1.703 0.824 -9.117 416 HG12 VAL 55 HG12 VAL 55 -2.232 -0.793 -9.578 417 HG13 VAL 55 HG13 VAL 55 -0.608 -0.548 -8.937 418 HG21 VAL 55 HG21 VAL 55 -1.190 -2.341 -7.152 419 HG22 VAL 55 HG22 VAL 55 -2.796 -2.462 -7.872 420 HG23 VAL 55 HG23 VAL 55 -2.625 -2.088 -6.158 421 H GLY 56 HN GLY 56 -0.194 -1.464 -5.012 422 HA2 GLY 56 HA2 GLY 56 2.276 -1.506 -6.552 423 HA3 GLY 56 HA1 GLY 56 2.420 -0.914 -4.904 424 H TYR 57 HN TYR 57 3.831 -3.118 -5.677 425 HA TYR 57 HA TYR 57 2.367 -5.357 -4.449 426 HB2 TYR 57 HB2 TYR 57 4.796 -5.416 -6.260 427 HB3 TYR 57 HB1 TYR 57 4.023 -6.828 -5.549 428 HD1 TYR 57 HD1 TYR 57 1.973 -7.708 -6.453 429 HD2 TYR 57 HD2 TYR 57 3.670 -4.145 -8.040 430 HE1 TYR 57 HE1 TYR 57 0.450 -7.845 -8.381 431 HE2 TYR 57 HE2 TYR 57 2.154 -4.274 -9.969 432 HH TYR 57 HH TYR 57 0.871 -6.043 -11.185 433 H PHE 58 HN PHE 58 3.313 -6.492 -2.770 434 HA PHE 58 HA PHE 58 5.892 -5.589 -1.735 435 HB2 PHE 58 HB2 PHE 58 5.028 -5.016 0.454 436 HB3 PHE 58 HB1 PHE 58 4.174 -4.064 -0.751 437 HD1 PHE 58 HD1 PHE 58 1.888 -4.992 -1.542 438 HD2 PHE 58 HD2 PHE 58 3.850 -6.211 2.032 439 HE1 PHE 58 HE1 PHE 58 -0.253 -5.796 -0.642 440 HE2 PHE 58 HE2 PHE 58 1.715 -7.018 2.935 441 HZ PHE 58 HZ PHE 58 -0.338 -6.810 1.599 442 HA PRO 59 HA PRO 59 6.302 -9.811 -0.709 443 HB2 PRO 59 HB2 PRO 59 7.874 -9.799 1.485 444 HB3 PRO 59 HB1 PRO 59 8.458 -9.303 -0.108 445 HG2 PRO 59 HG2 PRO 59 7.522 -7.604 2.177 446 HG3 PRO 59 HG1 PRO 59 8.953 -7.401 1.149 447 HD2 PRO 59 HD2 PRO 59 6.677 -5.999 0.758 448 HD3 PRO 59 HD1 PRO 59 7.737 -6.483 -0.581 449 H SER 60 HN SER 60 3.812 -9.067 0.133 450 HA SER 60 HA SER 60 2.058 -9.782 1.346 451 HB2 SER 60 HB2 SER 60 2.154 -12.025 2.299 452 HB3 SER 60 HB1 SER 60 2.936 -11.981 0.721 453 HG SER 60 HG SER 60 4.899 -11.543 2.247 454 H SER 61 HN SER 61 4.378 -8.228 2.805 455 HA SER 61 HA SER 61 2.933 -8.037 5.278 456 HB2 SER 61 HB2 SER 61 4.420 -9.972 5.715 457 HB3 SER 61 HB1 SER 61 5.815 -8.967 5.331 458 HG SER 61 HG SER 61 4.552 -9.220 7.657 459 H LEU 62 HN LEU 62 2.854 -5.947 5.722 460 HA LEU 62 HA LEU 62 5.160 -4.285 5.779 461 HB2 LEU 62 HB2 LEU 62 4.719 -4.305 3.342 462 HB3 LEU 62 HB1 LEU 62 3.100 -3.703 3.646 463 HG LEU 62 HG LEU 62 4.082 -1.635 4.603 464 HD11 LEU 62 HD11 LEU 62 6.220 -2.494 5.330 465 HD12 LEU 62 HD12 LEU 62 6.462 -1.168 4.192 466 HD13 LEU 62 HD13 LEU 62 6.681 -2.837 3.664 467 HD21 LEU 62 HD21 LEU 62 4.813 -0.685 2.464 468 HD22 LEU 62 HD22 LEU 62 3.376 -1.691 2.277 469 HD23 LEU 62 HD23 LEU 62 4.956 -2.311 1.796 470 H GLY 63 HN GLY 63 4.807 -2.949 7.428 471 HA2 GLY 63 HA2 GLY 63 3.712 -1.371 8.730 472 HA3 GLY 63 HA1 GLY 63 2.293 -1.565 7.709 473 H GLU 64 HN GLU 64 0.898 -1.629 9.446 474 HA GLU 64 HA GLU 64 0.976 -4.133 10.987 475 HB2 GLU 64 HB2 GLU 64 1.549 -2.270 12.449 476 HB3 GLU 64 HB1 GLU 64 0.118 -1.392 11.930 477 HG2 GLU 64 HG2 GLU 64 -1.295 -3.119 12.935 478 HG3 GLU 64 HG1 GLU 64 0.151 -3.972 13.476 479 H ALA 65 HN ALA 65 -0.744 -5.372 10.630 480 HA ALA 65 HA ALA 65 -2.868 -4.420 8.953 481 HB1 ALA 65 HB1 ALA 65 -1.919 -6.690 8.746 482 HB2 ALA 65 HB2 ALA 65 -3.668 -6.694 8.972 483 HB3 ALA 65 HB3 ALA 65 -2.604 -7.092 10.322 484 H ILE 66 HN ILE 66 -4.894 -3.871 9.469 485 HA ILE 66 HA ILE 66 -5.786 -4.354 12.234 486 HB ILE 66 HB ILE 66 -7.176 -2.261 12.024 487 HG12 ILE 66 HG12 ILE 66 -6.057 -0.538 10.421 488 HG13 ILE 66 HG11 ILE 66 -5.495 -1.957 9.548 489 HG21 ILE 66 HG21 ILE 66 -5.303 -0.755 12.575 490 HG22 ILE 66 HG22 ILE 66 -4.179 -1.991 12.008 491 HG23 ILE 66 HG23 ILE 66 -5.210 -2.308 13.403 492 HD11 ILE 66 HD11 ILE 66 -7.800 -2.674 9.223 493 HD12 ILE 66 HD12 ILE 66 -7.526 -1.056 8.575 494 HD13 ILE 66 HD13 ILE 66 -8.366 -1.261 10.112 495 H VAL 67 HN VAL 67 -6.151 -5.341 9.240 496 HA VAL 67 HA VAL 67 -7.680 -6.581 8.133 497 HB VAL 67 HB VAL 67 -9.391 -6.330 10.612 498 HG11 VAL 67 HG11 VAL 67 -9.559 -8.278 8.310 499 HG12 VAL 67 HG12 VAL 67 -10.682 -6.956 8.626 500 HG13 VAL 67 HG13 VAL 67 -10.562 -8.299 9.762 501 HG21 VAL 67 HG21 VAL 67 -7.490 -8.516 9.762 502 HG22 VAL 67 HG22 VAL 67 -8.534 -8.550 11.184 503 HG23 VAL 67 HG23 VAL 67 -7.229 -7.368 11.074 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 -5.228 -18.257 1.337 2 H2 GLY 1 HT2 GLY 1 -5.542 -16.822 2.174 3 H3 GLY 1 HT3 GLY 1 -4.903 -16.764 0.613 4 HA2 GLY 1 HA1 GLY 1 -6.916 -17.727 -0.289 5 HA3 GLY 1 HA2 GLY 1 -7.584 -17.788 1.336 6 H SER 2 HN SER 2 -9.290 -16.473 0.184 7 HA SER 2 HA SER 2 -8.617 -13.741 -0.391 8 HB2 SER 2 HB2 SER 2 -11.158 -13.504 -0.523 9 HB3 SER 2 HB1 SER 2 -10.409 -14.611 -1.671 10 HG SER 2 HG SER 2 -11.299 -15.607 0.802 11 H HIS 3 HN HIS 3 -7.581 -13.344 1.662 12 HA HIS 3 HA HIS 3 -9.239 -13.142 4.026 13 HB2 HIS 3 HB2 HIS 3 -6.840 -13.841 4.102 14 HB3 HIS 3 HB1 HIS 3 -6.387 -12.225 3.578 15 HD2 HIS 3 HD2 HIS 3 -8.335 -13.757 6.656 16 HE1 HIS 3 HE1 HIS 3 -6.108 -10.367 7.851 17 HE2 HIS 3 HE2 HIS 3 -7.475 -12.349 8.655 18 H MET 4 HN MET 4 -7.412 -10.906 1.942 19 HA MET 4 HA MET 4 -7.604 -8.686 1.501 20 HB2 MET 4 HB2 MET 4 -10.454 -9.063 2.444 21 HB3 MET 4 HB1 MET 4 -9.849 -7.674 1.556 22 HG2 MET 4 HG2 MET 4 -9.360 -9.093 -0.355 23 HG3 MET 4 HG1 MET 4 -9.925 -10.504 0.536 24 HE1 MET 4 HE1 MET 4 -12.418 -10.896 1.258 25 HE2 MET 4 HE2 MET 4 -13.741 -9.785 0.911 26 HE3 MET 4 HE3 MET 4 -12.493 -9.333 2.067 27 H LEU 5 HN LEU 5 -6.184 -7.870 3.035 28 HA LEU 5 HA LEU 5 -7.396 -7.224 5.637 29 HB2 LEU 5 HB2 LEU 5 -5.190 -7.543 6.686 30 HB3 LEU 5 HB1 LEU 5 -5.843 -9.014 5.998 31 HG LEU 5 HG LEU 5 -3.872 -7.387 4.436 32 HD11 LEU 5 HD11 LEU 5 -3.212 -9.387 6.594 33 HD12 LEU 5 HD12 LEU 5 -2.830 -7.662 6.603 34 HD13 LEU 5 HD13 LEU 5 -2.065 -8.731 5.426 35 HD21 LEU 5 HD21 LEU 5 -3.280 -9.601 3.538 36 HD22 LEU 5 HD22 LEU 5 -4.986 -9.226 3.294 37 HD23 LEU 5 HD23 LEU 5 -4.504 -10.333 4.575 38 H GLN 6 HN GLN 6 -6.936 -5.307 6.574 39 HA GLN 6 HA GLN 6 -5.670 -3.321 4.831 40 HB2 GLN 6 HB2 GLN 6 -8.040 -2.998 5.634 41 HB3 GLN 6 HB1 GLN 6 -7.397 -2.851 7.262 42 HG2 GLN 6 HG2 GLN 6 -6.019 -0.937 6.468 43 HG3 GLN 6 HG1 GLN 6 -6.867 -1.042 4.924 44 HE21 GLN 6 HE21 GLN 6 -7.101 -0.182 8.264 45 HE22 GLN 6 HE22 GLN 6 -8.627 0.622 8.170 46 H VAL 7 HN VAL 7 -3.751 -2.546 5.353 47 HA VAL 7 HA VAL 7 -2.775 -2.982 8.091 48 HB VAL 7 HB VAL 7 -0.517 -3.148 7.235 49 HG11 VAL 7 HG11 VAL 7 -0.708 -5.221 5.888 50 HG12 VAL 7 HG12 VAL 7 -2.440 -4.927 5.746 51 HG13 VAL 7 HG13 VAL 7 -1.723 -5.222 7.326 52 HG21 VAL 7 HG21 VAL 7 -0.034 -3.179 4.826 53 HG22 VAL 7 HG22 VAL 7 -0.662 -1.618 5.352 54 HG23 VAL 7 HG23 VAL 7 -1.712 -2.746 4.493 55 H ARG 8 HN ARG 8 -1.844 -1.307 9.154 56 HA ARG 8 HA ARG 8 -1.896 1.295 7.788 57 HB2 ARG 8 HB2 ARG 8 -1.891 0.620 10.740 58 HB3 ARG 8 HB1 ARG 8 -1.825 2.256 10.092 59 HG2 ARG 8 HG2 ARG 8 -3.998 1.885 9.000 60 HG3 ARG 8 HG1 ARG 8 -4.069 0.280 9.725 61 HD2 ARG 8 HD2 ARG 8 -3.903 2.870 11.254 62 HD3 ARG 8 HD1 ARG 8 -5.382 1.959 10.966 63 HE ARG 8 HE ARG 8 -3.117 0.764 12.421 64 HH11 ARG 8 HH11 ARG 8 -6.489 1.683 12.240 65 HH12 ARG 8 HH12 ARG 8 -6.916 0.897 13.725 66 HH21 ARG 8 HH21 ARG 8 -3.667 -0.281 14.371 67 HH22 ARG 8 HH22 ARG 8 -5.306 -0.230 14.938 68 H ALA 9 HN ALA 9 -0.004 2.002 7.085 69 HA ALA 9 HA ALA 9 2.412 1.023 8.449 70 HB1 ALA 9 HB1 ALA 9 2.067 -0.102 6.294 71 HB2 ALA 9 HB2 ALA 9 3.528 0.881 6.309 72 HB3 ALA 9 HB3 ALA 9 2.080 1.463 5.489 73 H THR 10 HN THR 10 3.692 2.555 9.195 74 HA THR 10 HA THR 10 3.595 5.179 7.884 75 HB THR 10 HB THR 10 4.757 5.943 10.058 76 HG1 THR 10 HG1 THR 10 3.448 3.760 11.259 77 HG21 THR 10 HG21 THR 10 2.467 6.558 9.499 78 HG22 THR 10 HG22 THR 10 2.599 6.192 11.220 79 HG23 THR 10 HG23 THR 10 1.883 5.013 10.121 80 H LYS 11 HN LYS 11 5.074 5.015 6.338 81 HA LYS 11 HA LYS 11 7.849 5.004 7.015 82 HB2 LYS 11 HB2 LYS 11 7.454 2.584 6.959 83 HB3 LYS 11 HB1 LYS 11 6.700 2.726 5.381 84 HG2 LYS 11 HG2 LYS 11 8.897 3.579 4.515 85 HG3 LYS 11 HG1 LYS 11 9.595 3.133 6.074 86 HD2 LYS 11 HD2 LYS 11 8.920 0.823 5.734 87 HD3 LYS 11 HD1 LYS 11 8.155 1.255 4.207 88 HE2 LYS 11 HE2 LYS 11 10.262 0.286 3.692 89 HE3 LYS 11 HE1 LYS 11 10.402 2.020 3.405 90 HZ1 LYS 11 HZ1 LYS 11 12.334 1.147 4.554 91 HZ2 LYS 11 HZ2 LYS 11 11.361 0.582 5.819 92 HZ3 LYS 11 HZ3 LYS 11 11.506 2.245 5.544 93 H ASP 12 HN ASP 12 9.016 6.060 5.399 94 HA ASP 12 HA ASP 12 7.499 7.214 3.245 95 HB2 ASP 12 HB2 ASP 12 9.711 8.244 2.588 96 HB3 ASP 12 HB1 ASP 12 9.143 8.647 4.202 97 H TYR 13 HN TYR 13 6.882 5.144 2.383 98 HA TYR 13 HA TYR 13 8.941 3.576 1.052 99 HB2 TYR 13 HB2 TYR 13 7.049 2.589 2.457 100 HB3 TYR 13 HB1 TYR 13 5.978 3.036 1.139 101 HD1 TYR 13 HD1 TYR 13 8.765 0.860 2.126 102 HD2 TYR 13 HD2 TYR 13 5.895 1.747 -0.877 103 HE1 TYR 13 HE1 TYR 13 9.261 -1.285 1.032 104 HE2 TYR 13 HE2 TYR 13 6.385 -0.393 -1.988 105 HH TYR 13 HH TYR 13 8.200 -2.863 -0.486 106 H CYS 14 HN CYS 14 9.494 4.162 -0.935 107 HA CYS 14 HA CYS 14 9.356 4.570 -3.161 108 HB2 CYS 14 HB2 CYS 14 7.454 2.990 -3.139 109 HB3 CYS 14 HB1 CYS 14 6.363 4.323 -2.794 110 HG CYS 14 HG CYS 14 5.755 4.225 -5.313 111 H ASN 15 HN ASN 15 10.040 6.698 -1.978 112 HA ASN 15 HA ASN 15 8.317 8.820 -3.084 113 HB2 ASN 15 HB2 ASN 15 9.752 8.889 -0.425 114 HB3 ASN 15 HB1 ASN 15 9.030 10.293 -1.191 115 HD21 ASN 15 HD21 ASN 15 8.445 7.299 0.421 116 HD22 ASN 15 HD22 ASN 15 6.755 7.549 0.724 117 H ASN 16 HN ASN 16 11.560 8.358 -1.657 118 HA ASN 16 HA ASN 16 12.749 9.613 -4.013 119 HB2 ASN 16 HB2 ASN 16 13.075 10.676 -1.199 120 HB3 ASN 16 HB1 ASN 16 14.172 11.080 -2.517 121 HD21 ASN 16 HD21 ASN 16 13.428 12.375 -4.212 122 HD22 ASN 16 HD22 ASN 16 12.000 13.340 -4.062 123 H TYR 17 HN TYR 17 14.616 8.657 -4.564 124 HA TYR 17 HA TYR 17 16.240 7.080 -4.627 125 HB2 TYR 17 HB2 TYR 17 16.399 7.696 -1.671 126 HB3 TYR 17 HB1 TYR 17 17.567 6.711 -2.542 127 HD1 TYR 17 HD1 TYR 17 16.422 10.088 -1.843 128 HD2 TYR 17 HD2 TYR 17 19.026 7.742 -4.249 129 HE1 TYR 17 HE1 TYR 17 17.665 12.116 -2.464 130 HE2 TYR 17 HE2 TYR 17 20.278 9.763 -4.876 131 HH TYR 17 HH TYR 17 19.918 12.722 -3.275 132 H ASP 18 HN ASP 18 13.629 6.264 -4.484 133 HA ASP 18 HA ASP 18 13.784 3.716 -3.029 134 HB2 ASP 18 HB2 ASP 18 11.371 5.469 -3.490 135 HB3 ASP 18 HB1 ASP 18 11.273 3.810 -2.919 136 H LEU 19 HN LEU 19 12.204 2.105 -3.996 137 HA LEU 19 HA LEU 19 12.460 2.172 -6.920 138 HB2 LEU 19 HB2 LEU 19 11.762 -0.133 -5.086 139 HB3 LEU 19 HB1 LEU 19 12.036 -0.239 -6.814 140 HG LEU 19 HG LEU 19 14.114 0.494 -4.748 141 HD11 LEU 19 HD11 LEU 19 13.746 -2.011 -6.386 142 HD12 LEU 19 HD12 LEU 19 13.484 -1.852 -4.648 143 HD13 LEU 19 HD13 LEU 19 15.106 -1.667 -5.315 144 HD21 LEU 19 HD21 LEU 19 15.701 0.337 -6.605 145 HD22 LEU 19 HD22 LEU 19 14.520 1.620 -6.864 146 HD23 LEU 19 HD23 LEU 19 14.362 0.090 -7.727 147 H THR 20 HN THR 20 10.432 0.986 -8.010 148 HA THR 20 HA THR 20 8.258 2.715 -7.077 149 HB THR 20 HB THR 20 8.527 1.342 -9.760 150 HG1 THR 20 HG1 THR 20 9.865 3.459 -8.749 151 HG21 THR 20 HG21 THR 20 6.884 3.009 -10.492 152 HG22 THR 20 HG22 THR 20 6.810 3.658 -8.853 153 HG23 THR 20 HG23 THR 20 6.245 2.020 -9.181 154 H SER 21 HN SER 21 7.175 1.628 -5.643 155 HA SER 21 HA SER 21 5.294 -0.345 -6.471 156 HB2 SER 21 HB2 SER 21 7.340 -1.109 -4.355 157 HB3 SER 21 HB1 SER 21 5.900 -2.042 -4.764 158 HG SER 21 HG SER 21 7.389 -1.494 -6.967 159 H LEU 22 HN LEU 22 3.471 0.283 -5.429 160 HA LEU 22 HA LEU 22 2.059 1.257 -3.935 161 HB2 LEU 22 HB2 LEU 22 4.348 0.658 -2.064 162 HB3 LEU 22 HB1 LEU 22 2.883 1.438 -1.516 163 HG LEU 22 HG LEU 22 2.700 -0.846 -0.937 164 HD11 LEU 22 HD11 LEU 22 0.741 -1.581 -2.149 165 HD12 LEU 22 HD12 LEU 22 1.091 -0.439 -3.446 166 HD13 LEU 22 HD13 LEU 22 0.663 0.154 -1.840 167 HD21 LEU 22 HD21 LEU 22 3.411 -1.509 -3.788 168 HD22 LEU 22 HD22 LEU 22 2.911 -2.674 -2.563 169 HD23 LEU 22 HD23 LEU 22 4.414 -1.775 -2.364 170 H ASN 23 HN ASN 23 2.310 3.088 -1.965 171 HA ASN 23 HA ASN 23 4.263 5.106 -2.495 172 HB2 ASN 23 HB2 ASN 23 2.721 5.538 -4.375 173 HB3 ASN 23 HB1 ASN 23 1.382 5.676 -3.242 174 HD21 ASN 23 HD21 ASN 23 1.111 7.539 -2.085 175 HD22 ASN 23 HD22 ASN 23 2.036 8.971 -2.362 176 H VAL 24 HN VAL 24 4.650 4.866 -0.295 177 HA VAL 24 HA VAL 24 2.453 5.707 1.495 178 HB VAL 24 HB VAL 24 4.872 4.125 2.361 179 HG11 VAL 24 HG11 VAL 24 3.630 5.296 4.112 180 HG12 VAL 24 HG12 VAL 24 3.497 3.546 4.281 181 HG13 VAL 24 HG13 VAL 24 2.152 4.471 3.614 182 HG21 VAL 24 HG21 VAL 24 3.722 2.805 0.665 183 HG22 VAL 24 HG22 VAL 24 2.195 3.015 1.522 184 HG23 VAL 24 HG23 VAL 24 3.504 2.098 2.266 185 H LYS 25 HN LYS 25 2.790 7.445 2.775 186 HA LYS 25 HA LYS 25 5.461 8.705 2.624 187 HB2 LYS 25 HB2 LYS 25 4.234 10.884 2.781 188 HB3 LYS 25 HB1 LYS 25 3.940 9.990 1.295 189 HG2 LYS 25 HG2 LYS 25 1.815 9.211 2.152 190 HG3 LYS 25 HG1 LYS 25 2.115 10.029 3.688 191 HD2 LYS 25 HD2 LYS 25 1.992 12.169 2.660 192 HD3 LYS 25 HD1 LYS 25 2.005 11.459 1.042 193 HE2 LYS 25 HE2 LYS 25 -0.162 10.989 3.083 194 HE3 LYS 25 HE1 LYS 25 -0.247 12.216 1.821 195 HZ1 LYS 25 HZ1 LYS 25 -0.255 9.271 1.534 196 HZ2 LYS 25 HZ2 LYS 25 0.162 10.279 0.239 197 HZ3 LYS 25 HZ3 LYS 25 -1.372 10.407 0.936 198 H ALA 26 HN ALA 26 4.797 6.911 4.616 199 HA ALA 26 HA ALA 26 4.959 6.627 6.857 200 HB1 ALA 26 HB1 ALA 26 6.846 8.161 6.609 201 HB2 ALA 26 HB2 ALA 26 6.046 8.343 8.172 202 HB3 ALA 26 HB3 ALA 26 5.766 9.526 6.891 203 H GLY 27 HN GLY 27 2.386 7.381 5.752 204 HA2 GLY 27 HA2 GLY 27 0.944 7.527 8.143 205 HA3 GLY 27 HA1 GLY 27 1.024 9.152 7.472 206 H ASP 28 HN ASP 28 0.408 5.830 6.339 207 HA ASP 28 HA ASP 28 -1.934 6.838 4.888 208 HB2 ASP 28 HB2 ASP 28 0.185 5.047 3.687 209 HB3 ASP 28 HB1 ASP 28 -1.307 5.540 2.899 210 H ILE 29 HN ILE 29 -3.466 5.226 4.337 211 HA ILE 29 HA ILE 29 -3.311 2.806 5.997 212 HB ILE 29 HB ILE 29 -5.727 3.982 4.610 213 HG12 ILE 29 HG12 ILE 29 -4.882 5.498 6.364 214 HG13 ILE 29 HG11 ILE 29 -6.444 4.807 6.787 215 HG21 ILE 29 HG21 ILE 29 -5.501 1.840 6.713 216 HG22 ILE 29 HG22 ILE 29 -5.890 1.593 5.012 217 HG23 ILE 29 HG23 ILE 29 -7.003 2.477 6.049 218 HD11 ILE 29 HD11 ILE 29 -3.775 3.891 7.831 219 HD12 ILE 29 HD12 ILE 29 -5.347 3.225 8.270 220 HD13 ILE 29 HD13 ILE 29 -4.945 4.886 8.695 221 H ILE 30 HN ILE 30 -3.024 0.878 4.976 222 HA ILE 30 HA ILE 30 -3.202 0.940 2.036 223 HB ILE 30 HB ILE 30 -1.448 -0.893 3.665 224 HG12 ILE 30 HG12 ILE 30 -0.700 1.702 2.304 225 HG13 ILE 30 HG11 ILE 30 -0.817 1.465 4.045 226 HG21 ILE 30 HG21 ILE 30 -0.270 -1.184 1.519 227 HG22 ILE 30 HG22 ILE 30 -1.472 -0.156 0.740 228 HG23 ILE 30 HG23 ILE 30 -1.953 -1.701 1.437 229 HD11 ILE 30 HD11 ILE 30 1.488 1.411 3.317 230 HD12 ILE 30 HD12 ILE 30 1.123 0.101 2.194 231 HD13 ILE 30 HD13 ILE 30 0.999 -0.168 3.934 232 H THR 31 HN THR 31 -4.533 -0.444 1.082 233 HA THR 31 HA THR 31 -5.749 -2.560 2.728 234 HB THR 31 HB THR 31 -6.687 -1.454 0.066 235 HG1 THR 31 HG1 THR 31 -7.510 0.114 1.215 236 HG21 THR 31 HG21 THR 31 -8.793 -2.594 0.616 237 HG22 THR 31 HG22 THR 31 -8.058 -3.237 2.085 238 HG23 THR 31 HG23 THR 31 -7.452 -3.734 0.505 239 H VAL 32 HN VAL 32 -4.609 -4.425 2.506 240 HA VAL 32 HA VAL 32 -3.387 -4.908 -0.117 241 HB VAL 32 HB VAL 32 -1.697 -6.243 0.939 242 HG11 VAL 32 HG11 VAL 32 -0.579 -4.554 2.307 243 HG12 VAL 32 HG12 VAL 32 -2.092 -3.658 2.429 244 HG13 VAL 32 HG13 VAL 32 -1.306 -3.850 0.862 245 HG21 VAL 32 HG21 VAL 32 -3.108 -5.718 3.545 246 HG22 VAL 32 HG22 VAL 32 -1.552 -6.530 3.357 247 HG23 VAL 32 HG23 VAL 32 -3.016 -7.266 2.705 248 H LEU 33 HN LEU 33 -3.564 -6.800 -1.139 249 HA LEU 33 HA LEU 33 -5.721 -8.551 -0.182 250 HB2 LEU 33 HB2 LEU 33 -4.667 -8.104 -2.980 251 HB3 LEU 33 HB1 LEU 33 -5.937 -9.229 -2.557 252 HG LEU 33 HG LEU 33 -7.026 -7.367 -3.482 253 HD11 LEU 33 HD11 LEU 33 -8.333 -6.433 -1.655 254 HD12 LEU 33 HD12 LEU 33 -7.153 -7.051 -0.497 255 HD13 LEU 33 HD13 LEU 33 -8.100 -8.169 -1.476 256 HD21 LEU 33 HD21 LEU 33 -5.370 -5.596 -1.696 257 HD22 LEU 33 HD22 LEU 33 -6.657 -5.056 -2.774 258 HD23 LEU 33 HD23 LEU 33 -5.196 -5.778 -3.442 259 H GLU 34 HN GLU 34 -5.371 -10.694 0.041 260 HA GLU 34 HA GLU 34 -2.615 -11.614 -0.330 261 HB2 GLU 34 HB2 GLU 34 -3.501 -11.855 1.945 262 HB3 GLU 34 HB1 GLU 34 -4.860 -12.788 1.329 263 HG2 GLU 34 HG2 GLU 34 -3.338 -14.541 0.589 264 HG3 GLU 34 HG1 GLU 34 -1.964 -13.604 1.178 265 H GLN 35 HN GLN 35 -2.321 -12.554 -2.210 266 HA GLN 35 HA GLN 35 -4.389 -14.396 -3.195 267 HB2 GLN 35 HB2 GLN 35 -2.457 -12.661 -4.728 268 HB3 GLN 35 HB1 GLN 35 -3.371 -13.964 -5.472 269 HG2 GLN 35 HG2 GLN 35 -5.460 -12.850 -4.794 270 HG3 GLN 35 HG1 GLN 35 -4.508 -11.520 -4.133 271 HE21 GLN 35 HE21 GLN 35 -5.495 -10.063 -5.557 272 HE22 GLN 35 HE22 GLN 35 -5.077 -10.008 -7.237 273 H HIS 36 HN HIS 36 -0.895 -13.776 -3.105 274 HA HIS 36 HA HIS 36 -0.478 -16.678 -3.024 275 HB2 HIS 36 HB2 HIS 36 1.168 -14.762 -4.688 276 HB3 HIS 36 HB1 HIS 36 1.416 -16.497 -4.552 277 HD2 HIS 36 HD2 HIS 36 -0.793 -18.036 -5.683 278 HE1 HIS 36 HE1 HIS 36 -1.792 -14.870 -8.309 279 HE2 HIS 36 HE2 HIS 36 -2.268 -17.277 -7.681 280 HA PRO 37 HA PRO 37 1.712 -14.656 0.539 281 HB2 PRO 37 HB2 PRO 37 1.393 -17.439 1.525 282 HB3 PRO 37 HB1 PRO 37 1.044 -15.911 2.340 283 HG2 PRO 37 HG2 PRO 37 -0.931 -17.461 1.446 284 HG3 PRO 37 HG1 PRO 37 -1.034 -15.695 1.339 285 HD2 PRO 37 HD2 PRO 37 -0.405 -17.691 -0.798 286 HD3 PRO 37 HD1 PRO 37 -1.387 -16.214 -0.890 287 H ASP 38 HN ASP 38 2.184 -17.540 -1.315 288 HA ASP 38 HA ASP 38 4.810 -18.147 -0.366 289 HB2 ASP 38 HB2 ASP 38 3.334 -19.066 -2.839 290 HB3 ASP 38 HB1 ASP 38 4.843 -19.747 -2.251 291 H GLY 39 HN GLY 39 3.562 -15.821 -2.455 292 HA2 GLY 39 HA2 GLY 39 6.238 -15.387 -3.607 293 HA3 GLY 39 HA1 GLY 39 4.797 -15.254 -4.599 294 H ARG 40 HN ARG 40 3.405 -13.470 -4.317 295 HA ARG 40 HA ARG 40 4.284 -11.379 -2.487 296 HB2 ARG 40 HB2 ARG 40 4.431 -9.696 -4.211 297 HB3 ARG 40 HB1 ARG 40 5.524 -11.015 -4.599 298 HG2 ARG 40 HG2 ARG 40 3.928 -11.886 -6.213 299 HG3 ARG 40 HG1 ARG 40 2.799 -10.592 -5.806 300 HD2 ARG 40 HD2 ARG 40 4.466 -8.939 -6.543 301 HD3 ARG 40 HD1 ARG 40 5.543 -10.255 -7.001 302 HE ARG 40 HE ARG 40 3.022 -10.533 -8.264 303 HH11 ARG 40 HH11 ARG 40 6.006 -8.707 -8.418 304 HH12 ARG 40 HH12 ARG 40 5.858 -8.375 -10.115 305 HH21 ARG 40 HH21 ARG 40 2.827 -10.087 -10.494 306 HH22 ARG 40 HH22 ARG 40 4.055 -9.159 -11.291 307 H TRP 41 HN TRP 41 2.778 -9.615 -2.328 308 HA TRP 41 HA TRP 41 0.029 -10.339 -3.103 309 HB2 TRP 41 HB2 TRP 41 0.977 -8.833 -0.656 310 HB3 TRP 41 HB1 TRP 41 -0.709 -9.070 -1.100 311 HD1 TRP 41 HD1 TRP 41 0.079 -12.273 -1.939 312 HE1 TRP 41 HE1 TRP 41 0.115 -13.932 0.024 313 HE3 TRP 41 HE3 TRP 41 0.500 -8.951 1.915 314 HZ2 TRP 41 HZ2 TRP 41 0.302 -13.839 2.848 315 HZ3 TRP 41 HZ3 TRP 41 0.594 -9.806 4.211 316 HH2 TRP 41 HH2 TRP 41 0.496 -12.202 4.671 317 H LYS 42 HN LYS 42 -1.406 -8.388 -3.270 318 HA LYS 42 HA LYS 42 0.097 -6.040 -4.189 319 HB2 LYS 42 HB2 LYS 42 -1.614 -5.651 -5.891 320 HB3 LYS 42 HB1 LYS 42 -0.848 -7.215 -6.115 321 HG2 LYS 42 HG2 LYS 42 -2.808 -8.240 -4.931 322 HG3 LYS 42 HG1 LYS 42 -3.582 -6.655 -4.994 323 HD2 LYS 42 HD2 LYS 42 -2.645 -8.270 -7.367 324 HD3 LYS 42 HD1 LYS 42 -4.317 -8.079 -6.840 325 HE2 LYS 42 HE2 LYS 42 -4.247 -5.718 -7.315 326 HE3 LYS 42 HE1 LYS 42 -2.525 -5.806 -7.687 327 HZ1 LYS 42 HZ1 LYS 42 -3.028 -7.213 -9.571 328 HZ2 LYS 42 HZ2 LYS 42 -3.890 -5.762 -9.687 329 HZ3 LYS 42 HZ3 LYS 42 -4.679 -7.176 -9.202 330 H GLY 43 HN GLY 43 -0.727 -4.035 -3.626 331 HA2 GLY 43 HA2 GLY 43 -3.109 -4.045 -1.921 332 HA3 GLY 43 HA1 GLY 43 -1.595 -3.477 -1.235 333 H CYS 44 HN CYS 44 -4.013 -2.040 -1.507 334 HA CYS 44 HA CYS 44 -3.281 0.026 -3.469 335 HB2 CYS 44 HB2 CYS 44 -5.902 -0.456 -2.035 336 HB3 CYS 44 HB1 CYS 44 -5.604 0.814 -3.217 337 HG CYS 44 HG CYS 44 -6.312 -2.419 -3.686 338 H ILE 45 HN ILE 45 -3.119 2.171 -2.804 339 HA ILE 45 HA ILE 45 -2.630 2.516 0.070 340 HB ILE 45 HB ILE 45 -1.805 4.259 -2.262 341 HG12 ILE 45 HG12 ILE 45 -0.626 2.086 -2.201 342 HG13 ILE 45 HG11 ILE 45 0.454 3.440 -1.878 343 HG21 ILE 45 HG21 ILE 45 -2.122 5.543 -0.216 344 HG22 ILE 45 HG22 ILE 45 -0.415 5.455 -0.653 345 HG23 ILE 45 HG23 ILE 45 -1.044 4.445 0.649 346 HD11 ILE 45 HD11 ILE 45 -0.716 1.570 0.160 347 HD12 ILE 45 HD12 ILE 45 0.316 2.954 0.520 348 HD13 ILE 45 HD13 ILE 45 0.951 1.594 -0.411 349 H HIS 46 HN HIS 46 -3.913 3.780 1.264 350 HA HIS 46 HA HIS 46 -5.935 5.386 -0.127 351 HB2 HIS 46 HB2 HIS 46 -6.744 3.706 1.521 352 HB3 HIS 46 HB1 HIS 46 -5.831 4.531 2.775 353 HD2 HIS 46 HD2 HIS 46 -8.821 5.398 0.358 354 HE1 HIS 46 HE1 HIS 46 -9.187 7.575 3.966 355 HE2 HIS 46 HE2 HIS 46 -10.207 7.143 1.685 356 H ASP 47 HN ASP 47 -5.094 7.303 -0.530 357 HA ASP 47 HA ASP 47 -3.235 8.621 1.201 358 HB2 ASP 47 HB2 ASP 47 -3.062 9.024 -1.164 359 HB3 ASP 47 HB1 ASP 47 -4.746 9.528 -1.254 360 H ASN 48 HN ASN 48 -3.705 9.774 2.922 361 HA ASN 48 HA ASN 48 -6.416 10.138 3.725 362 HB2 ASN 48 HB2 ASN 48 -3.794 10.949 4.966 363 HB3 ASN 48 HB1 ASN 48 -5.343 11.350 5.697 364 HD21 ASN 48 HD21 ASN 48 -3.008 8.888 5.122 365 HD22 ASN 48 HD22 ASN 48 -3.780 7.654 6.058 366 H ARG 49 HN ARG 49 -3.890 12.306 2.524 367 HA ARG 49 HA ARG 49 -5.888 14.469 2.606 368 HB2 ARG 49 HB2 ARG 49 -4.106 14.799 4.283 369 HB3 ARG 49 HB1 ARG 49 -2.910 14.772 2.997 370 HG2 ARG 49 HG2 ARG 49 -4.045 16.748 1.993 371 HG3 ARG 49 HG1 ARG 49 -5.072 16.814 3.427 372 HD2 ARG 49 HD2 ARG 49 -3.138 17.136 4.839 373 HD3 ARG 49 HD1 ARG 49 -2.061 16.957 3.455 374 HE ARG 49 HE ARG 49 -4.017 19.093 3.277 375 HH11 ARG 49 HH11 ARG 49 -0.751 18.183 4.152 376 HH12 ARG 49 HH12 ARG 49 -0.119 19.788 3.954 377 HH21 ARG 49 HH21 ARG 49 -3.171 21.208 3.010 378 HH22 ARG 49 HH22 ARG 49 -1.485 21.494 3.303 379 H THR 50 HN THR 50 -2.634 14.445 1.178 380 HA THR 50 HA THR 50 -3.712 14.396 -1.503 381 HB THR 50 HB THR 50 -4.101 16.733 -0.918 382 HG1 THR 50 HG1 THR 50 -2.024 16.159 -2.760 383 HG21 THR 50 HG21 THR 50 -1.130 16.899 -0.396 384 HG22 THR 50 HG22 THR 50 -2.396 16.980 0.829 385 HG23 THR 50 HG23 THR 50 -2.261 18.251 -0.385 386 H GLY 51 HN GLY 51 -1.958 12.684 -0.185 387 HA2 GLY 51 HA2 GLY 51 0.710 13.389 -1.199 388 HA3 GLY 51 HA1 GLY 51 0.347 12.089 -0.072 389 H ASN 52 HN ASN 52 -1.903 12.180 -2.502 390 HA ASN 52 HA ASN 52 -2.304 11.075 -4.433 391 HB2 ASN 52 HB2 ASN 52 0.684 10.636 -4.488 392 HB3 ASN 52 HB1 ASN 52 -0.410 10.152 -5.778 393 HD21 ASN 52 HD21 ASN 52 1.115 12.813 -4.161 394 HD22 ASN 52 HD22 ASN 52 0.723 14.019 -5.335 395 H ASP 53 HN ASP 53 -3.065 9.096 -4.880 396 HA ASP 53 HA ASP 53 -2.297 6.932 -3.050 397 HB2 ASP 53 HB2 ASP 53 -4.449 6.028 -3.286 398 HB3 ASP 53 HB1 ASP 53 -4.735 7.762 -3.242 399 H ARG 54 HN ARG 54 -2.357 4.709 -4.028 400 HA ARG 54 HA ARG 54 -1.928 4.434 -6.844 401 HB2 ARG 54 HB2 ARG 54 0.207 5.528 -5.890 402 HB3 ARG 54 HB1 ARG 54 0.497 3.981 -5.110 403 HG2 ARG 54 HG2 ARG 54 1.758 3.811 -7.025 404 HG3 ARG 54 HG1 ARG 54 0.260 3.010 -7.497 405 HD2 ARG 54 HD2 ARG 54 0.893 5.900 -8.061 406 HD3 ARG 54 HD1 ARG 54 1.174 4.592 -9.201 407 HE ARG 54 HE ARG 54 -1.352 4.213 -8.931 408 HH11 ARG 54 HH11 ARG 54 0.233 7.341 -8.810 409 HH12 ARG 54 HH12 ARG 54 -1.149 8.206 -9.400 410 HH21 ARG 54 HH21 ARG 54 -3.167 5.355 -9.726 411 HH22 ARG 54 HH22 ARG 54 -3.085 7.079 -9.918 412 H VAL 55 HN VAL 55 -1.559 2.171 -7.431 413 HA VAL 55 HA VAL 55 -1.919 0.304 -5.179 414 HB VAL 55 HB VAL 55 -3.810 0.247 -6.760 415 HG11 VAL 55 HG11 VAL 55 -3.472 -0.665 -9.037 416 HG12 VAL 55 HG12 VAL 55 -1.733 -0.509 -8.801 417 HG13 VAL 55 HG13 VAL 55 -2.754 0.927 -8.801 418 HG21 VAL 55 HG21 VAL 55 -2.103 -2.235 -6.869 419 HG22 VAL 55 HG22 VAL 55 -3.838 -2.163 -7.173 420 HG23 VAL 55 HG23 VAL 55 -3.210 -1.790 -5.569 421 H GLY 56 HN GLY 56 -0.492 -1.413 -4.989 422 HA2 GLY 56 HA2 GLY 56 1.529 -1.786 -7.050 423 HA3 GLY 56 HA1 GLY 56 2.110 -1.105 -5.542 424 H TYR 57 HN TYR 57 3.114 -3.474 -6.466 425 HA TYR 57 HA TYR 57 1.840 -5.470 -4.734 426 HB2 TYR 57 HB2 TYR 57 3.251 -7.127 -6.015 427 HB3 TYR 57 HB1 TYR 57 1.993 -6.330 -6.948 428 HD1 TYR 57 HD1 TYR 57 2.521 -5.224 -8.936 429 HD2 TYR 57 HD2 TYR 57 5.639 -6.193 -6.210 430 HE1 TYR 57 HE1 TYR 57 4.188 -4.526 -10.601 431 HE2 TYR 57 HE2 TYR 57 7.314 -5.498 -7.865 432 HH TYR 57 HH TYR 57 7.530 -5.200 -10.248 433 H PHE 58 HN PHE 58 3.092 -6.692 -3.322 434 HA PHE 58 HA PHE 58 5.838 -5.859 -2.819 435 HB2 PHE 58 HB2 PHE 58 5.409 -5.377 -0.453 436 HB3 PHE 58 HB1 PHE 58 4.463 -4.302 -1.474 437 HD1 PHE 58 HD1 PHE 58 2.015 -4.855 -1.850 438 HD2 PHE 58 HD2 PHE 58 4.388 -6.718 1.152 439 HE1 PHE 58 HE1 PHE 58 -0.028 -5.541 -0.666 440 HE2 PHE 58 HE2 PHE 58 2.350 -7.404 2.337 441 HZ PHE 58 HZ PHE 58 0.144 -6.820 1.430 442 HA PRO 59 HA PRO 59 6.529 -10.095 -1.974 443 HB2 PRO 59 HB2 PRO 59 7.780 -9.370 0.624 444 HB3 PRO 59 HB1 PRO 59 8.435 -10.312 -0.719 445 HG2 PRO 59 HG2 PRO 59 9.246 -7.817 -0.312 446 HG3 PRO 59 HG1 PRO 59 8.975 -8.422 -1.955 447 HD2 PRO 59 HD2 PRO 59 7.259 -6.630 -0.287 448 HD3 PRO 59 HD1 PRO 59 7.602 -6.566 -2.027 449 H SER 60 HN SER 60 6.157 -8.921 1.375 450 HA SER 60 HA SER 60 3.552 -10.001 1.720 451 HB2 SER 60 HB2 SER 60 4.238 -11.825 3.323 452 HB3 SER 60 HB1 SER 60 4.625 -12.150 1.632 453 HG SER 60 HG SER 60 6.443 -11.096 3.555 454 H SER 61 HN SER 61 2.639 -8.940 3.340 455 HA SER 61 HA SER 61 2.292 -7.683 5.181 456 HB2 SER 61 HB2 SER 61 3.492 -9.541 6.340 457 HB3 SER 61 HB1 SER 61 4.994 -8.645 6.134 458 HG SER 61 HG SER 61 4.420 -7.854 8.011 459 H LEU 62 HN LEU 62 2.326 -5.524 5.184 460 HA LEU 62 HA LEU 62 4.850 -4.183 4.506 461 HB2 LEU 62 HB2 LEU 62 3.336 -4.373 2.540 462 HB3 LEU 62 HB1 LEU 62 2.141 -3.435 3.417 463 HG LEU 62 HG LEU 62 3.689 -1.518 3.471 464 HD11 LEU 62 HD11 LEU 62 5.708 -1.553 2.082 465 HD12 LEU 62 HD12 LEU 62 5.454 -3.268 1.766 466 HD13 LEU 62 HD13 LEU 62 5.803 -2.719 3.402 467 HD21 LEU 62 HD21 LEU 62 3.225 -2.634 0.707 468 HD22 LEU 62 HD22 LEU 62 3.520 -0.941 1.111 469 HD23 LEU 62 HD23 LEU 62 2.049 -1.736 1.668 470 H GLY 63 HN GLY 63 2.098 -4.318 6.522 471 HA2 GLY 63 HA2 GLY 63 3.039 -2.029 8.025 472 HA3 GLY 63 HA1 GLY 63 1.458 -1.815 7.287 473 H GLU 64 HN GLU 64 0.970 -1.520 9.664 474 HA GLU 64 HA GLU 64 0.815 -3.916 11.243 475 HB2 GLU 64 HB2 GLU 64 -0.440 -1.197 11.660 476 HB3 GLU 64 HB1 GLU 64 -0.475 -2.510 12.828 477 HG2 GLU 64 HG2 GLU 64 2.029 -2.454 12.828 478 HG3 GLU 64 HG1 GLU 64 1.927 -0.990 11.853 479 H ALA 65 HN ALA 65 -0.520 -5.467 10.607 480 HA ALA 65 HA ALA 65 -2.822 -4.900 8.987 481 HB1 ALA 65 HB1 ALA 65 -3.088 -7.301 8.852 482 HB2 ALA 65 HB2 ALA 65 -1.905 -7.531 10.141 483 HB3 ALA 65 HB3 ALA 65 -1.399 -6.867 8.586 484 H ILE 66 HN ILE 66 -4.740 -4.386 9.723 485 HA ILE 66 HA ILE 66 -5.570 -5.422 12.356 486 HB ILE 66 HB ILE 66 -7.189 -3.580 12.457 487 HG12 ILE 66 HG12 ILE 66 -5.859 -2.578 9.927 488 HG13 ILE 66 HG11 ILE 66 -7.469 -3.288 10.001 489 HG21 ILE 66 HG21 ILE 66 -4.343 -2.718 11.965 490 HG22 ILE 66 HG22 ILE 66 -5.031 -3.273 13.493 491 HG23 ILE 66 HG23 ILE 66 -5.568 -1.748 12.785 492 HD11 ILE 66 HD11 ILE 66 -8.198 -1.462 11.453 493 HD12 ILE 66 HD12 ILE 66 -7.587 -0.872 9.908 494 HD13 ILE 66 HD13 ILE 66 -6.587 -0.750 11.358 495 H VAL 67 HN VAL 67 -5.800 -6.193 9.287 496 HA VAL 67 HA VAL 67 -7.178 -7.449 8.009 497 HB VAL 67 HB VAL 67 -8.942 -7.715 10.448 498 HG11 VAL 67 HG11 VAL 67 -9.721 -9.769 9.369 499 HG12 VAL 67 HG12 VAL 67 -8.697 -9.424 7.975 500 HG13 VAL 67 HG13 VAL 67 -10.040 -8.352 8.368 501 HG21 VAL 67 HG21 VAL 67 -6.687 -8.443 10.982 502 HG22 VAL 67 HG22 VAL 67 -6.652 -9.453 9.538 503 HG23 VAL 67 HG23 VAL 67 -7.761 -9.834 10.855 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 -4.693 -18.191 -0.898 2 H2 GLY 1 HT2 GLY 1 -6.167 -19.002 -0.763 3 H3 GLY 1 HT3 GLY 1 -4.906 -19.361 0.303 4 HA2 GLY 1 HA1 GLY 1 -6.586 -17.986 1.370 5 HA3 GLY 1 HA2 GLY 1 -5.032 -17.171 1.271 6 H SER 2 HN SER 2 -8.188 -16.593 1.022 7 HA SER 2 HA SER 2 -7.839 -14.607 -1.124 8 HB2 SER 2 HB2 SER 2 -10.397 -14.734 -1.244 9 HB3 SER 2 HB1 SER 2 -9.502 -16.127 -1.849 10 HG SER 2 HG SER 2 -10.536 -17.272 -0.447 11 H HIS 3 HN HIS 3 -7.072 -14.220 1.609 12 HA HIS 3 HA HIS 3 -9.151 -12.716 2.917 13 HB2 HIS 3 HB2 HIS 3 -6.260 -13.248 3.578 14 HB3 HIS 3 HB1 HIS 3 -7.259 -12.167 4.541 15 HD2 HIS 3 HD2 HIS 3 -7.421 -15.963 3.438 16 HE1 HIS 3 HE1 HIS 3 -9.074 -15.467 7.303 17 HE2 HIS 3 HE2 HIS 3 -8.311 -17.149 5.570 18 H MET 4 HN MET 4 -9.512 -10.602 2.774 19 HA MET 4 HA MET 4 -7.385 -8.898 1.656 20 HB2 MET 4 HB2 MET 4 -10.372 -8.407 1.609 21 HB3 MET 4 HB1 MET 4 -9.147 -7.336 0.950 22 HG2 MET 4 HG2 MET 4 -8.482 -9.194 -0.592 23 HG3 MET 4 HG1 MET 4 -9.895 -10.077 -0.024 24 HE1 MET 4 HE1 MET 4 -9.531 -6.183 -0.678 25 HE2 MET 4 HE2 MET 4 -10.065 -6.096 -2.356 26 HE3 MET 4 HE3 MET 4 -8.576 -6.948 -1.948 27 H LEU 5 HN LEU 5 -6.726 -7.153 2.848 28 HA LEU 5 HA LEU 5 -8.144 -6.565 5.322 29 HB2 LEU 5 HB2 LEU 5 -6.057 -6.841 6.665 30 HB3 LEU 5 HB1 LEU 5 -6.766 -8.337 6.092 31 HG LEU 5 HG LEU 5 -4.564 -7.097 4.497 32 HD11 LEU 5 HD11 LEU 5 -2.919 -8.331 5.859 33 HD12 LEU 5 HD12 LEU 5 -4.189 -8.671 7.039 34 HD13 LEU 5 HD13 LEU 5 -3.684 -7.006 6.738 35 HD21 LEU 5 HD21 LEU 5 -5.713 -9.068 3.633 36 HD22 LEU 5 HD22 LEU 5 -5.348 -9.944 5.120 37 HD23 LEU 5 HD23 LEU 5 -4.039 -9.447 4.046 38 H GLN 6 HN GLN 6 -7.452 -4.673 6.373 39 HA GLN 6 HA GLN 6 -6.066 -2.785 4.616 40 HB2 GLN 6 HB2 GLN 6 -8.337 -2.168 5.261 41 HB3 GLN 6 HB1 GLN 6 -7.931 -2.357 6.959 42 HG2 GLN 6 HG2 GLN 6 -6.355 -0.498 6.782 43 HG3 GLN 6 HG1 GLN 6 -6.788 -0.305 5.083 44 HE21 GLN 6 HE21 GLN 6 -7.061 1.548 7.342 45 HE22 GLN 6 HE22 GLN 6 -8.733 1.977 7.395 46 H VAL 7 HN VAL 7 -4.173 -1.887 5.226 47 HA VAL 7 HA VAL 7 -3.223 -2.466 7.957 48 HB VAL 7 HB VAL 7 -0.939 -2.674 7.093 49 HG11 VAL 7 HG11 VAL 7 -1.262 -4.807 5.781 50 HG12 VAL 7 HG12 VAL 7 -2.997 -4.502 5.883 51 HG13 VAL 7 HG13 VAL 7 -2.051 -4.735 7.353 52 HG21 VAL 7 HG21 VAL 7 -1.164 -1.257 5.115 53 HG22 VAL 7 HG22 VAL 7 -2.183 -2.483 4.356 54 HG23 VAL 7 HG23 VAL 7 -0.491 -2.836 4.710 55 H ARG 8 HN ARG 8 -1.948 -0.927 8.960 56 HA ARG 8 HA ARG 8 -1.941 1.754 7.741 57 HB2 ARG 8 HB2 ARG 8 -1.504 0.895 10.615 58 HB3 ARG 8 HB1 ARG 8 -1.419 2.552 10.042 59 HG2 ARG 8 HG2 ARG 8 -3.783 2.458 9.421 60 HG3 ARG 8 HG1 ARG 8 -3.864 0.796 10.012 61 HD2 ARG 8 HD2 ARG 8 -3.250 1.548 12.246 62 HD3 ARG 8 HD1 ARG 8 -3.126 3.207 11.666 63 HE ARG 8 HE ARG 8 -5.685 2.359 11.051 64 HH11 ARG 8 HH11 ARG 8 -3.747 2.844 13.925 65 HH12 ARG 8 HH12 ARG 8 -5.111 3.171 14.946 66 HH21 ARG 8 HH21 ARG 8 -7.484 2.784 12.391 67 HH22 ARG 8 HH22 ARG 8 -7.239 3.147 14.069 68 H ALA 9 HN ALA 9 -0.079 2.187 6.702 69 HA ALA 9 HA ALA 9 2.321 0.753 7.613 70 HB1 ALA 9 HB1 ALA 9 3.186 1.028 5.368 71 HB2 ALA 9 HB2 ALA 9 1.766 1.971 4.918 72 HB3 ALA 9 HB3 ALA 9 1.596 0.264 5.328 73 H THR 10 HN THR 10 3.760 1.875 8.687 74 HA THR 10 HA THR 10 4.137 4.707 8.017 75 HB THR 10 HB THR 10 5.598 4.697 10.099 76 HG1 THR 10 HG1 THR 10 4.741 2.812 11.520 77 HG21 THR 10 HG21 THR 10 3.683 4.783 11.644 78 HG22 THR 10 HG22 THR 10 2.675 4.008 10.421 79 HG23 THR 10 HG23 THR 10 3.339 5.615 10.127 80 H LYS 11 HN LYS 11 5.456 4.781 6.297 81 HA LYS 11 HA LYS 11 8.137 3.834 6.431 82 HB2 LYS 11 HB2 LYS 11 6.729 1.760 5.909 83 HB3 LYS 11 HB1 LYS 11 6.376 2.511 4.363 84 HG2 LYS 11 HG2 LYS 11 8.740 2.499 3.799 85 HG3 LYS 11 HG1 LYS 11 9.120 1.789 5.369 86 HD2 LYS 11 HD2 LYS 11 7.625 -0.128 4.757 87 HD3 LYS 11 HD1 LYS 11 7.515 0.555 3.135 88 HE2 LYS 11 HE2 LYS 11 9.196 -1.143 3.109 89 HE3 LYS 11 HE1 LYS 11 10.004 0.422 2.993 90 HZ1 LYS 11 HZ1 LYS 11 10.497 0.296 5.357 91 HZ2 LYS 11 HZ2 LYS 11 11.127 -1.046 4.548 92 HZ3 LYS 11 HZ3 LYS 11 9.715 -1.199 5.467 93 H ASP 12 HN ASP 12 9.382 4.660 4.686 94 HA ASP 12 HA ASP 12 7.992 6.639 3.020 95 HB2 ASP 12 HB2 ASP 12 10.885 6.302 3.812 96 HB3 ASP 12 HB1 ASP 12 10.400 7.370 2.502 97 H TYR 13 HN TYR 13 7.168 4.701 1.823 98 HA TYR 13 HA TYR 13 9.218 3.307 0.272 99 HB2 TYR 13 HB2 TYR 13 7.481 2.048 1.636 100 HB3 TYR 13 HB1 TYR 13 6.301 2.580 0.444 101 HD1 TYR 13 HD1 TYR 13 9.471 0.693 0.819 102 HD2 TYR 13 HD2 TYR 13 6.021 1.386 -1.568 103 HE1 TYR 13 HE1 TYR 13 10.081 -1.215 -0.604 104 HE2 TYR 13 HE2 TYR 13 6.620 -0.525 -2.998 105 HH TYR 13 HH TYR 13 8.732 -1.765 -3.613 106 H CYS 14 HN CYS 14 9.570 3.796 -1.723 107 HA CYS 14 HA CYS 14 9.391 4.497 -3.846 108 HB2 CYS 14 HB2 CYS 14 7.606 2.830 -3.981 109 HB3 CYS 14 HB1 CYS 14 6.436 4.027 -3.443 110 HG CYS 14 HG CYS 14 8.216 4.269 -6.355 111 H ASN 15 HN ASN 15 6.257 5.830 -2.912 112 HA ASN 15 HA ASN 15 5.351 7.819 -3.551 113 HB2 ASN 15 HB2 ASN 15 6.213 9.729 -2.216 114 HB3 ASN 15 HB1 ASN 15 5.927 8.280 -1.269 115 HD21 ASN 15 HD21 ASN 15 7.647 7.221 -0.338 116 HD22 ASN 15 HD22 ASN 15 9.229 7.914 -0.234 117 H ASN 16 HN ASN 16 6.821 6.964 -5.640 118 HA ASN 16 HA ASN 16 8.370 9.275 -6.557 119 HB2 ASN 16 HB2 ASN 16 8.207 6.439 -7.582 120 HB3 ASN 16 HB1 ASN 16 9.025 7.727 -8.460 121 HD21 ASN 16 HD21 ASN 16 10.157 5.295 -7.376 122 HD22 ASN 16 HD22 ASN 16 11.365 5.776 -6.236 123 H TYR 17 HN TYR 17 8.139 9.222 -9.213 124 HA TYR 17 HA TYR 17 5.559 10.406 -9.556 125 HB2 TYR 17 HB2 TYR 17 7.793 9.964 -11.545 126 HB3 TYR 17 HB1 TYR 17 6.358 10.943 -11.831 127 HD1 TYR 17 HD1 TYR 17 6.007 13.022 -10.477 128 HD2 TYR 17 HD2 TYR 17 9.655 10.838 -10.360 129 HE1 TYR 17 HE1 TYR 17 7.140 14.978 -9.511 130 HE2 TYR 17 HE2 TYR 17 10.799 12.788 -9.393 131 HH TYR 17 HH TYR 17 9.161 15.424 -8.103 132 H ASP 18 HN ASP 18 7.145 8.090 -11.756 133 HA ASP 18 HA ASP 18 4.539 6.743 -11.962 134 HB2 ASP 18 HB2 ASP 18 5.087 6.186 -14.295 135 HB3 ASP 18 HB1 ASP 18 5.035 7.922 -14.030 136 H LEU 19 HN LEU 19 4.680 5.002 -10.773 137 HA LEU 19 HA LEU 19 6.349 2.839 -11.559 138 HB2 LEU 19 HB2 LEU 19 7.964 4.135 -10.181 139 HB3 LEU 19 HB1 LEU 19 6.858 4.031 -8.825 140 HG LEU 19 HG LEU 19 7.090 1.548 -8.894 141 HD11 LEU 19 HD11 LEU 19 9.251 2.170 -10.896 142 HD12 LEU 19 HD12 LEU 19 7.761 1.278 -11.203 143 HD13 LEU 19 HD13 LEU 19 8.988 0.605 -10.129 144 HD21 LEU 19 HD21 LEU 19 9.359 1.511 -7.932 145 HD22 LEU 19 HD22 LEU 19 8.363 2.819 -7.299 146 HD23 LEU 19 HD23 LEU 19 9.601 3.160 -8.504 147 H THR 20 HN THR 20 5.694 0.865 -10.514 148 HA THR 20 HA THR 20 3.106 1.118 -9.161 149 HB THR 20 HB THR 20 4.372 -1.342 -10.394 150 HG1 THR 20 HG1 THR 20 2.695 -0.891 -12.039 151 HG21 THR 20 HG21 THR 20 2.094 -2.266 -10.284 152 HG22 THR 20 HG22 THR 20 1.547 -0.802 -9.467 153 HG23 THR 20 HG23 THR 20 2.711 -1.868 -8.681 154 H SER 21 HN SER 21 3.461 1.331 -7.069 155 HA SER 21 HA SER 21 4.655 -0.721 -5.485 156 HB2 SER 21 HB2 SER 21 6.071 1.946 -5.747 157 HB3 SER 21 HB1 SER 21 6.382 0.793 -4.453 158 HG SER 21 HG SER 21 6.544 -0.528 -6.739 159 H LEU 22 HN LEU 22 4.386 -0.230 -3.177 160 HA LEU 22 HA LEU 22 2.007 1.220 -2.631 161 HB2 LEU 22 HB2 LEU 22 4.089 0.065 -0.775 162 HB3 LEU 22 HB1 LEU 22 2.588 0.777 -0.231 163 HG LEU 22 HG LEU 22 2.215 -1.530 -0.159 164 HD11 LEU 22 HD11 LEU 22 1.119 -0.637 -2.815 165 HD12 LEU 22 HD12 LEU 22 0.399 -0.302 -1.243 166 HD13 LEU 22 HD13 LEU 22 0.514 -1.962 -1.824 167 HD21 LEU 22 HD21 LEU 22 3.393 -1.751 -2.921 168 HD22 LEU 22 HD22 LEU 22 2.751 -3.077 -1.952 169 HD23 LEU 22 HD23 LEU 22 4.193 -2.210 -1.419 170 H ASN 23 HN ASN 23 2.112 3.375 -3.000 171 HA ASN 23 HA ASN 23 4.458 4.887 -2.305 172 HB2 ASN 23 HB2 ASN 23 1.789 5.651 -3.466 173 HB3 ASN 23 HB1 ASN 23 2.946 6.873 -2.948 174 HD21 ASN 23 HD21 ASN 23 3.696 3.761 -4.438 175 HD22 ASN 23 HD22 ASN 23 4.397 4.429 -5.871 176 H VAL 24 HN VAL 24 4.576 4.411 -0.113 177 HA VAL 24 HA VAL 24 2.561 5.630 1.634 178 HB VAL 24 HB VAL 24 4.947 3.957 2.437 179 HG11 VAL 24 HG11 VAL 24 3.971 5.324 4.213 180 HG12 VAL 24 HG12 VAL 24 3.715 3.604 4.504 181 HG13 VAL 24 HG13 VAL 24 2.393 4.600 3.903 182 HG21 VAL 24 HG21 VAL 24 3.568 2.626 0.954 183 HG22 VAL 24 HG22 VAL 24 2.126 3.039 1.885 184 HG23 VAL 24 HG23 VAL 24 3.395 2.056 2.615 185 H LYS 25 HN LYS 25 3.029 7.380 2.901 186 HA LYS 25 HA LYS 25 5.774 8.433 2.734 187 HB2 LYS 25 HB2 LYS 25 4.839 10.710 2.539 188 HB3 LYS 25 HB1 LYS 25 4.399 9.687 1.181 189 HG2 LYS 25 HG2 LYS 25 2.204 9.279 2.365 190 HG3 LYS 25 HG1 LYS 25 2.667 10.581 3.461 191 HD2 LYS 25 HD2 LYS 25 1.268 11.491 1.734 192 HD3 LYS 25 HD1 LYS 25 2.916 12.072 1.488 193 HE2 LYS 25 HE2 LYS 25 3.281 10.529 -0.288 194 HE3 LYS 25 HE1 LYS 25 1.785 9.671 0.069 195 HZ1 LYS 25 HZ1 LYS 25 2.004 12.449 -0.953 196 HZ2 LYS 25 HZ2 LYS 25 0.556 11.662 -0.573 197 HZ3 LYS 25 HZ3 LYS 25 1.518 11.094 -1.841 198 H ALA 26 HN ALA 26 5.277 6.944 4.770 199 HA ALA 26 HA ALA 26 5.439 6.828 7.023 200 HB1 ALA 26 HB1 ALA 26 6.099 8.764 8.279 201 HB2 ALA 26 HB2 ALA 26 5.565 9.834 6.984 202 HB3 ALA 26 HB3 ALA 26 6.941 8.762 6.731 203 H GLY 27 HN GLY 27 3.157 6.077 6.818 204 HA2 GLY 27 HA2 GLY 27 1.478 6.018 8.559 205 HA3 GLY 27 HA1 GLY 27 1.536 7.774 8.599 206 H ASP 28 HN ASP 28 0.971 5.215 6.187 207 HA ASP 28 HA ASP 28 -1.436 6.694 5.353 208 HB2 ASP 28 HB2 ASP 28 0.597 5.322 3.595 209 HB3 ASP 28 HB1 ASP 28 -0.997 5.800 3.028 210 H ILE 29 HN ILE 29 -2.959 5.271 4.109 211 HA ILE 29 HA ILE 29 -3.206 2.732 5.558 212 HB ILE 29 HB ILE 29 -5.271 4.423 4.140 213 HG12 ILE 29 HG12 ILE 29 -4.597 5.327 6.296 214 HG13 ILE 29 HG11 ILE 29 -6.234 4.691 6.393 215 HG21 ILE 29 HG21 ILE 29 -5.802 2.078 3.829 216 HG22 ILE 29 HG22 ILE 29 -6.942 2.830 4.946 217 HG23 ILE 29 HG23 ILE 29 -5.655 1.796 5.565 218 HD11 ILE 29 HD11 ILE 29 -5.009 4.115 8.378 219 HD12 ILE 29 HD12 ILE 29 -3.734 3.372 7.416 220 HD13 ILE 29 HD13 ILE 29 -5.343 2.654 7.449 221 H ILE 30 HN ILE 30 -3.032 0.869 4.491 222 HA ILE 30 HA ILE 30 -3.171 0.964 1.545 223 HB ILE 30 HB ILE 30 -1.633 -1.091 3.122 224 HG12 ILE 30 HG12 ILE 30 -0.583 1.463 1.891 225 HG13 ILE 30 HG11 ILE 30 -0.674 1.109 3.613 226 HG21 ILE 30 HG21 ILE 30 -2.242 -1.727 0.859 227 HG22 ILE 30 HG22 ILE 30 -0.502 -1.462 0.977 228 HG23 ILE 30 HG23 ILE 30 -1.531 -0.239 0.234 229 HD11 ILE 30 HD11 ILE 30 1.579 0.814 2.807 230 HD12 ILE 30 HD12 ILE 30 1.020 -0.328 1.586 231 HD13 ILE 30 HD13 ILE 30 0.902 -0.740 3.297 232 H THR 31 HN THR 31 -4.579 -0.368 0.581 233 HA THR 31 HA THR 31 -6.018 -2.298 2.267 234 HB THR 31 HB THR 31 -6.762 -1.389 -0.522 235 HG1 THR 31 HG1 THR 31 -7.790 -0.387 1.947 236 HG21 THR 31 HG21 THR 31 -7.792 -3.481 0.227 237 HG22 THR 31 HG22 THR 31 -8.991 -2.193 0.114 238 HG23 THR 31 HG23 THR 31 -8.368 -2.679 1.689 239 H VAL 32 HN VAL 32 -5.024 -4.215 2.215 240 HA VAL 32 HA VAL 32 -3.691 -4.999 -0.289 241 HB VAL 32 HB VAL 32 -2.112 -6.268 0.986 242 HG11 VAL 32 HG11 VAL 32 -0.999 -4.524 2.277 243 HG12 VAL 32 HG12 VAL 32 -2.478 -3.565 2.258 244 HG13 VAL 32 HG13 VAL 32 -1.623 -3.898 0.751 245 HG21 VAL 32 HG21 VAL 32 -3.585 -7.093 2.738 246 HG22 VAL 32 HG22 VAL 32 -3.653 -5.481 3.452 247 HG23 VAL 32 HG23 VAL 32 -2.131 -6.371 3.424 248 H LEU 33 HN LEU 33 -3.545 -7.328 -0.667 249 HA LEU 33 HA LEU 33 -5.624 -8.890 0.612 250 HB2 LEU 33 HB2 LEU 33 -6.360 -9.790 -1.625 251 HB3 LEU 33 HB1 LEU 33 -6.885 -8.177 -1.220 252 HG LEU 33 HG LEU 33 -6.320 -8.455 -3.597 253 HD11 LEU 33 HD11 LEU 33 -4.502 -6.537 -2.165 254 HD12 LEU 33 HD12 LEU 33 -6.188 -6.251 -2.601 255 HD13 LEU 33 HD13 LEU 33 -4.972 -6.456 -3.863 256 HD21 LEU 33 HD21 LEU 33 -4.528 -10.073 -3.435 257 HD22 LEU 33 HD22 LEU 33 -3.496 -8.878 -2.651 258 HD23 LEU 33 HD23 LEU 33 -4.003 -8.643 -4.323 259 H GLU 34 HN GLU 34 -5.427 -11.147 0.299 260 HA GLU 34 HA GLU 34 -2.660 -11.975 -0.212 261 HB2 GLU 34 HB2 GLU 34 -3.444 -12.563 1.988 262 HB3 GLU 34 HB1 GLU 34 -4.932 -13.233 1.337 263 HG2 GLU 34 HG2 GLU 34 -3.749 -15.072 0.364 264 HG3 GLU 34 HG1 GLU 34 -2.196 -14.364 0.810 265 H GLN 35 HN GLN 35 -2.208 -13.426 -1.809 266 HA GLN 35 HA GLN 35 -4.220 -14.931 -3.169 267 HB2 GLN 35 HB2 GLN 35 -4.655 -12.656 -4.064 268 HB3 GLN 35 HB1 GLN 35 -2.996 -12.589 -4.640 269 HG2 GLN 35 HG2 GLN 35 -3.449 -14.538 -6.077 270 HG3 GLN 35 HG1 GLN 35 -5.129 -14.508 -5.548 271 HE21 GLN 35 HE21 GLN 35 -2.694 -12.948 -7.453 272 HE22 GLN 35 HE22 GLN 35 -3.757 -11.895 -8.325 273 H HIS 36 HN HIS 36 -1.027 -13.436 -3.437 274 HA HIS 36 HA HIS 36 -0.069 -15.659 -5.042 275 HB2 HIS 36 HB2 HIS 36 1.403 -13.193 -4.095 276 HB3 HIS 36 HB1 HIS 36 1.955 -14.332 -5.317 277 HD2 HIS 36 HD2 HIS 36 0.501 -14.231 -7.767 278 HE1 HIS 36 HE1 HIS 36 -1.101 -10.406 -6.927 279 HE2 HIS 36 HE2 HIS 36 -0.613 -12.105 -8.747 280 HA PRO 37 HA PRO 37 1.422 -17.559 -1.245 281 HB2 PRO 37 HB2 PRO 37 2.133 -19.916 -2.344 282 HB3 PRO 37 HB1 PRO 37 0.445 -19.500 -2.024 283 HG2 PRO 37 HG2 PRO 37 1.972 -19.381 -4.595 284 HG3 PRO 37 HG1 PRO 37 0.323 -19.961 -4.298 285 HD2 PRO 37 HD2 PRO 37 0.886 -17.489 -5.304 286 HD3 PRO 37 HD1 PRO 37 -0.560 -17.840 -4.340 287 H ASP 38 HN ASP 38 3.045 -16.426 -3.897 288 HA ASP 38 HA ASP 38 5.631 -17.471 -3.690 289 HB2 ASP 38 HB2 ASP 38 4.922 -16.072 -5.567 290 HB3 ASP 38 HB1 ASP 38 4.744 -14.690 -4.493 291 H GLY 39 HN GLY 39 3.951 -15.058 -1.835 292 HA2 GLY 39 HA2 GLY 39 4.725 -14.693 0.460 293 HA3 GLY 39 HA1 GLY 39 6.367 -14.694 -0.177 294 H ARG 40 HN ARG 40 4.447 -13.208 -2.386 295 HA ARG 40 HA ARG 40 4.640 -10.574 -1.123 296 HB2 ARG 40 HB2 ARG 40 5.478 -9.584 -3.175 297 HB3 ARG 40 HB1 ARG 40 6.571 -10.846 -2.628 298 HG2 ARG 40 HG2 ARG 40 5.377 -12.376 -4.277 299 HG3 ARG 40 HG1 ARG 40 4.669 -10.902 -4.947 300 HD2 ARG 40 HD2 ARG 40 6.667 -11.515 -6.181 301 HD3 ARG 40 HD1 ARG 40 6.922 -10.003 -5.309 302 HE ARG 40 HE ARG 40 7.862 -12.594 -4.252 303 HH11 ARG 40 HH11 ARG 40 8.502 -9.278 -5.223 304 HH12 ARG 40 HH12 ARG 40 10.072 -9.234 -4.492 305 HH21 ARG 40 HH21 ARG 40 9.934 -12.523 -3.293 306 HH22 ARG 40 HH22 ARG 40 10.888 -11.080 -3.401 307 H TRP 41 HN TRP 41 2.961 -9.245 -1.533 308 HA TRP 41 HA TRP 41 0.821 -10.312 -3.251 309 HB2 TRP 41 HB2 TRP 41 0.459 -8.856 -0.626 310 HB3 TRP 41 HB1 TRP 41 -0.823 -9.487 -1.649 311 HD1 TRP 41 HD1 TRP 41 0.740 -12.385 -2.076 312 HE1 TRP 41 HE1 TRP 41 0.594 -14.072 -0.136 313 HE3 TRP 41 HE3 TRP 41 -0.502 -9.170 1.683 314 HZ2 TRP 41 HZ2 TRP 41 0.015 -14.027 2.638 315 HZ3 TRP 41 HZ3 TRP 41 -0.842 -10.059 3.939 316 HH2 TRP 41 HH2 TRP 41 -0.591 -12.440 4.411 317 H LYS 42 HN LYS 42 -0.762 -8.587 -3.857 318 HA LYS 42 HA LYS 42 0.623 -6.033 -4.253 319 HB2 LYS 42 HB2 LYS 42 -0.894 -5.626 -6.103 320 HB3 LYS 42 HB1 LYS 42 -0.113 -7.187 -6.314 321 HG2 LYS 42 HG2 LYS 42 -2.148 -8.274 -5.423 322 HG3 LYS 42 HG1 LYS 42 -2.921 -6.689 -5.355 323 HD2 LYS 42 HD2 LYS 42 -2.464 -6.460 -7.805 324 HD3 LYS 42 HD1 LYS 42 -1.925 -8.140 -7.801 325 HE2 LYS 42 HE2 LYS 42 -4.204 -8.091 -8.521 326 HE3 LYS 42 HE1 LYS 42 -4.157 -8.781 -6.900 327 HZ1 LYS 42 HZ1 LYS 42 -5.957 -7.200 -7.121 328 HZ2 LYS 42 HZ2 LYS 42 -4.878 -5.982 -7.578 329 HZ3 LYS 42 HZ3 LYS 42 -4.815 -6.621 -6.016 330 H GLY 43 HN GLY 43 -0.440 -4.099 -3.753 331 HA2 GLY 43 HA2 GLY 43 -3.020 -4.290 -2.392 332 HA3 GLY 43 HA1 GLY 43 -1.657 -3.682 -1.460 333 H CYS 44 HN CYS 44 -3.967 -2.200 -1.959 334 HA CYS 44 HA CYS 44 -3.029 -0.206 -3.913 335 HB2 CYS 44 HB2 CYS 44 -5.302 -1.185 -4.282 336 HB3 CYS 44 HB1 CYS 44 -5.797 -0.506 -2.733 337 HG CYS 44 HG CYS 44 -6.799 1.018 -4.915 338 H ILE 45 HN ILE 45 -3.044 1.993 -3.310 339 HA ILE 45 HA ILE 45 -2.674 2.378 -0.427 340 HB ILE 45 HB ILE 45 -1.792 4.087 -2.767 341 HG12 ILE 45 HG12 ILE 45 -0.532 1.977 -2.491 342 HG13 ILE 45 HG11 ILE 45 0.465 3.395 -2.177 343 HG21 ILE 45 HG21 ILE 45 -0.549 5.411 -1.116 344 HG22 ILE 45 HG22 ILE 45 -1.279 4.465 0.183 345 HG23 ILE 45 HG23 ILE 45 -2.291 5.484 -0.842 346 HD11 ILE 45 HD11 ILE 45 0.180 3.047 0.226 347 HD12 ILE 45 HD12 ILE 45 0.917 1.658 -0.569 348 HD13 ILE 45 HD13 ILE 45 -0.782 1.609 -0.109 349 H HIS 46 HN HIS 46 -4.109 3.481 0.699 350 HA HIS 46 HA HIS 46 -5.894 5.314 -0.757 351 HB2 HIS 46 HB2 HIS 46 -6.832 3.160 0.432 352 HB3 HIS 46 HB1 HIS 46 -6.635 4.124 1.893 353 HD2 HIS 46 HD2 HIS 46 -8.164 6.570 1.872 354 HE1 HIS 46 HE1 HIS 46 -10.881 5.027 -0.977 355 HE2 HIS 46 HE2 HIS 46 -10.546 6.734 0.858 356 H ASP 47 HN ASP 47 -5.030 7.253 -0.446 357 HA ASP 47 HA ASP 47 -3.388 7.850 1.806 358 HB2 ASP 47 HB2 ASP 47 -2.985 9.941 0.770 359 HB3 ASP 47 HB1 ASP 47 -3.117 8.777 -0.542 360 H ASN 48 HN ASN 48 -3.708 9.627 3.247 361 HA ASN 48 HA ASN 48 -6.531 9.939 4.001 362 HB2 ASN 48 HB2 ASN 48 -5.628 10.537 6.253 363 HB3 ASN 48 HB1 ASN 48 -5.217 8.902 5.748 364 HD21 ASN 48 HD21 ASN 48 -3.089 8.401 5.252 365 HD22 ASN 48 HD22 ASN 48 -1.768 9.445 5.663 366 H ARG 49 HN ARG 49 -4.829 11.464 2.015 367 HA ARG 49 HA ARG 49 -4.809 14.112 3.272 368 HB2 ARG 49 HB2 ARG 49 -3.566 13.227 0.660 369 HB3 ARG 49 HB1 ARG 49 -3.371 14.800 1.421 370 HG2 ARG 49 HG2 ARG 49 -2.454 12.181 2.595 371 HG3 ARG 49 HG1 ARG 49 -1.426 13.335 1.745 372 HD2 ARG 49 HD2 ARG 49 -1.883 15.020 3.433 373 HD3 ARG 49 HD1 ARG 49 -2.985 13.920 4.262 374 HE ARG 49 HE ARG 49 -0.785 12.480 4.355 375 HH11 ARG 49 HH11 ARG 49 -1.161 15.927 4.876 376 HH12 ARG 49 HH12 ARG 49 0.176 16.034 5.977 377 HH21 ARG 49 HH21 ARG 49 0.972 12.621 5.817 378 HH22 ARG 49 HH22 ARG 49 1.385 14.158 6.510 379 H THR 50 HN THR 50 -5.415 12.958 -0.059 380 HA THR 50 HA THR 50 -7.978 14.311 -0.090 381 HB THR 50 HB THR 50 -5.814 15.243 -1.989 382 HG1 THR 50 HG1 THR 50 -6.712 16.199 0.494 383 HG21 THR 50 HG21 THR 50 -8.643 16.198 -1.522 384 HG22 THR 50 HG22 THR 50 -8.059 15.332 -2.942 385 HG23 THR 50 HG23 THR 50 -7.474 16.959 -2.600 386 H GLY 51 HN GLY 51 -5.488 13.043 -2.346 387 HA2 GLY 51 HA2 GLY 51 -7.142 10.874 -3.154 388 HA3 GLY 51 HA1 GLY 51 -7.205 12.178 -4.328 389 H ASN 52 HN ASN 52 -4.898 10.191 -2.516 390 HA ASN 52 HA ASN 52 -3.167 10.185 -4.910 391 HB2 ASN 52 HB2 ASN 52 -2.221 10.123 -2.034 392 HB3 ASN 52 HB1 ASN 52 -1.203 10.139 -3.468 393 HD21 ASN 52 HD21 ASN 52 -3.207 11.993 -1.343 394 HD22 ASN 52 HD22 ASN 52 -2.757 13.553 -1.955 395 H ASP 53 HN ASP 53 -4.489 8.234 -5.363 396 HA ASP 53 HA ASP 53 -3.784 5.955 -3.652 397 HB2 ASP 53 HB2 ASP 53 -5.691 4.794 -4.568 398 HB3 ASP 53 HB1 ASP 53 -6.210 6.379 -4.014 399 H ARG 54 HN ARG 54 -2.766 4.193 -4.454 400 HA ARG 54 HA ARG 54 -2.268 3.847 -7.265 401 HB2 ARG 54 HB2 ARG 54 -0.602 5.576 -6.650 402 HB3 ARG 54 HB1 ARG 54 0.032 4.507 -5.409 403 HG2 ARG 54 HG2 ARG 54 0.925 3.020 -6.991 404 HG3 ARG 54 HG1 ARG 54 -0.016 3.726 -8.307 405 HD2 ARG 54 HD2 ARG 54 2.125 5.194 -6.776 406 HD3 ARG 54 HD1 ARG 54 2.400 4.364 -8.307 407 HE ARG 54 HE ARG 54 0.335 6.020 -8.868 408 HH11 ARG 54 HH11 ARG 54 3.452 6.570 -7.379 409 HH12 ARG 54 HH12 ARG 54 3.633 8.160 -8.041 410 HH21 ARG 54 HH21 ARG 54 0.551 8.133 -9.716 411 HH22 ARG 54 HH22 ARG 54 1.974 9.057 -9.352 412 H VAL 55 HN VAL 55 -1.288 1.777 -7.710 413 HA VAL 55 HA VAL 55 -1.623 -0.081 -5.462 414 HB VAL 55 HB VAL 55 -3.097 -0.499 -7.368 415 HG11 VAL 55 HG11 VAL 55 -2.194 -1.233 -9.530 416 HG12 VAL 55 HG12 VAL 55 -0.568 -0.852 -8.966 417 HG13 VAL 55 HG13 VAL 55 -1.759 0.434 -9.153 418 HG21 VAL 55 HG21 VAL 55 -2.365 -2.417 -6.056 419 HG22 VAL 55 HG22 VAL 55 -0.962 -2.615 -7.104 420 HG23 VAL 55 HG23 VAL 55 -2.585 -2.860 -7.748 421 H GLY 56 HN GLY 56 -0.076 -1.664 -5.009 422 HA2 GLY 56 HA2 GLY 56 2.397 -1.709 -6.539 423 HA3 GLY 56 HA1 GLY 56 2.532 -1.045 -4.917 424 H TYR 57 HN TYR 57 4.012 -3.235 -5.567 425 HA TYR 57 HA TYR 57 2.585 -5.486 -4.316 426 HB2 TYR 57 HB2 TYR 57 5.022 -5.457 -6.103 427 HB3 TYR 57 HB1 TYR 57 4.421 -6.893 -5.284 428 HD1 TYR 57 HD1 TYR 57 2.702 -8.180 -6.225 429 HD2 TYR 57 HD2 TYR 57 3.495 -4.304 -7.787 430 HE1 TYR 57 HE1 TYR 57 1.181 -8.629 -8.102 431 HE2 TYR 57 HE2 TYR 57 1.977 -4.746 -9.671 432 HH TYR 57 HH TYR 57 0.033 -7.683 -9.814 433 H PHE 58 HN PHE 58 3.412 -6.472 -2.519 434 HA PHE 58 HA PHE 58 5.882 -5.375 -1.370 435 HB2 PHE 58 HB2 PHE 58 4.799 -5.079 0.812 436 HB3 PHE 58 HB1 PHE 58 4.016 -4.084 -0.409 437 HD1 PHE 58 HD1 PHE 58 1.835 -4.847 -1.378 438 HD2 PHE 58 HD2 PHE 58 3.594 -6.687 2.032 439 HE1 PHE 58 HE1 PHE 58 -0.342 -5.812 -0.777 440 HE2 PHE 58 HE2 PHE 58 1.418 -7.655 2.635 441 HZ PHE 58 HZ PHE 58 -0.530 -7.276 1.208 442 HA PRO 59 HA PRO 59 6.561 -9.636 -0.408 443 HB2 PRO 59 HB2 PRO 59 8.591 -9.411 1.335 444 HB3 PRO 59 HB1 PRO 59 8.780 -9.008 -0.375 445 HG2 PRO 59 HG2 PRO 59 8.363 -7.191 1.968 446 HG3 PRO 59 HG1 PRO 59 9.458 -7.004 0.588 447 HD2 PRO 59 HD2 PRO 59 7.030 -5.753 0.786 448 HD3 PRO 59 HD1 PRO 59 7.818 -6.144 -0.755 449 H SER 60 HN SER 60 4.294 -9.009 0.811 450 HA SER 60 HA SER 60 2.866 -9.546 2.452 451 HB2 SER 60 HB2 SER 60 3.371 -11.542 3.824 452 HB3 SER 60 HB1 SER 60 3.681 -11.787 2.111 453 HG SER 60 HG SER 60 5.911 -10.879 3.298 454 H SER 61 HN SER 61 2.194 -8.468 4.128 455 HA SER 61 HA SER 61 2.091 -7.265 6.035 456 HB2 SER 61 HB2 SER 61 3.152 -9.416 6.935 457 HB3 SER 61 HB1 SER 61 4.674 -8.529 6.926 458 HG SER 61 HG SER 61 2.501 -8.312 8.601 459 H LEU 62 HN LEU 62 2.415 -5.338 4.883 460 HA LEU 62 HA LEU 62 5.118 -4.204 5.102 461 HB2 LEU 62 HB2 LEU 62 4.028 -4.304 2.841 462 HB3 LEU 62 HB1 LEU 62 2.820 -3.184 3.441 463 HG LEU 62 HG LEU 62 4.666 -1.545 3.889 464 HD11 LEU 62 HD11 LEU 62 6.807 -1.908 2.750 465 HD12 LEU 62 HD12 LEU 62 6.298 -3.543 2.327 466 HD13 LEU 62 HD13 LEU 62 6.524 -3.099 4.019 467 HD21 LEU 62 HD21 LEU 62 4.322 -2.481 1.045 468 HD22 LEU 62 HD22 LEU 62 4.937 -0.906 1.539 469 HD23 LEU 62 HD23 LEU 62 3.275 -1.359 1.910 470 H GLY 63 HN GLY 63 1.982 -4.069 6.388 471 HA2 GLY 63 HA2 GLY 63 2.714 -1.711 7.954 472 HA3 GLY 63 HA1 GLY 63 1.216 -1.645 7.040 473 H GLU 64 HN GLU 64 0.730 -1.247 9.504 474 HA GLU 64 HA GLU 64 0.459 -3.595 11.114 475 HB2 GLU 64 HB2 GLU 64 -0.709 -0.824 11.355 476 HB3 GLU 64 HB1 GLU 64 -0.976 -2.093 12.540 477 HG2 GLU 64 HG2 GLU 64 1.686 -0.916 11.775 478 HG3 GLU 64 HG1 GLU 64 0.783 -0.583 13.253 479 H ALA 65 HN ALA 65 -0.874 -5.159 10.544 480 HA ALA 65 HA ALA 65 -3.141 -4.702 8.860 481 HB1 ALA 65 HB1 ALA 65 -3.486 -7.104 9.009 482 HB2 ALA 65 HB2 ALA 65 -2.296 -7.208 10.307 483 HB3 ALA 65 HB3 ALA 65 -1.793 -6.738 8.684 484 H ILE 66 HN ILE 66 -4.594 -3.422 9.906 485 HA ILE 66 HA ILE 66 -5.725 -4.324 12.432 486 HB ILE 66 HB ILE 66 -7.176 -2.335 12.277 487 HG12 ILE 66 HG12 ILE 66 -5.667 -1.748 9.717 488 HG13 ILE 66 HG11 ILE 66 -7.354 -2.242 9.808 489 HG21 ILE 66 HG21 ILE 66 -4.243 -1.793 11.834 490 HG22 ILE 66 HG22 ILE 66 -5.025 -2.149 13.375 491 HG23 ILE 66 HG23 ILE 66 -5.397 -0.649 12.523 492 HD11 ILE 66 HD11 ILE 66 -7.884 -0.197 11.025 493 HD12 ILE 66 HD12 ILE 66 -7.144 0.150 9.463 494 HD13 ILE 66 HD13 ILE 66 -6.191 0.291 10.941 495 H VAL 67 HN VAL 67 -6.257 -4.586 9.077 496 HA VAL 67 HA VAL 67 -7.702 -5.777 7.820 497 HB VAL 67 HB VAL 67 -8.771 -6.895 10.410 498 HG11 VAL 67 HG11 VAL 67 -8.927 -7.930 7.580 499 HG12 VAL 67 HG12 VAL 67 -10.262 -7.265 8.520 500 HG13 VAL 67 HG13 VAL 67 -9.502 -8.776 9.017 501 HG21 VAL 67 HG21 VAL 67 -7.251 -8.777 9.997 502 HG22 VAL 67 HG22 VAL 67 -6.374 -7.265 10.236 503 HG23 VAL 67 HG23 VAL 67 -6.578 -7.921 8.611 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 -3.562 -10.697 9.710 2 H2 GLY 1 HT2 GLY 1 -2.608 -11.044 8.361 3 H3 GLY 1 HT3 GLY 1 -3.406 -12.291 9.171 4 HA2 GLY 1 HA1 GLY 1 -5.545 -11.380 8.533 5 HA3 GLY 1 HA2 GLY 1 -4.714 -10.080 7.691 6 H SER 2 HN SER 2 -6.507 -12.433 6.885 7 HA SER 2 HA SER 2 -4.864 -13.210 4.582 8 HB2 SER 2 HB2 SER 2 -4.890 -15.103 6.153 9 HB3 SER 2 HB1 SER 2 -6.652 -15.061 6.187 10 HG SER 2 HG SER 2 -5.224 -15.371 3.760 11 H HIS 3 HN HIS 3 -5.956 -13.319 2.649 12 HA HIS 3 HA HIS 3 -7.513 -12.751 1.099 13 HB2 HIS 3 HB2 HIS 3 -8.646 -14.738 1.980 14 HB3 HIS 3 HB1 HIS 3 -9.424 -13.764 3.220 15 HD2 HIS 3 HD2 HIS 3 -9.357 -12.791 -0.586 16 HE1 HIS 3 HE1 HIS 3 -13.336 -13.558 0.629 17 HE2 HIS 3 HE2 HIS 3 -11.847 -12.878 -1.306 18 H MET 4 HN MET 4 -6.946 -10.556 1.288 19 HA MET 4 HA MET 4 -7.433 -8.352 1.266 20 HB2 MET 4 HB2 MET 4 -9.613 -8.864 0.411 21 HB3 MET 4 HB1 MET 4 -10.189 -9.309 2.008 22 HG2 MET 4 HG2 MET 4 -11.008 -7.115 1.264 23 HG3 MET 4 HG1 MET 4 -10.072 -7.033 2.753 24 HE1 MET 4 HE1 MET 4 -8.385 -5.781 -1.362 25 HE2 MET 4 HE2 MET 4 -10.010 -6.428 -1.136 26 HE3 MET 4 HE3 MET 4 -8.607 -7.463 -0.878 27 H LEU 5 HN LEU 5 -6.478 -7.115 2.675 28 HA LEU 5 HA LEU 5 -7.572 -6.854 5.341 29 HB2 LEU 5 HB2 LEU 5 -5.326 -7.122 6.412 30 HB3 LEU 5 HB1 LEU 5 -6.040 -8.605 5.814 31 HG LEU 5 HG LEU 5 -4.077 -7.147 4.091 32 HD11 LEU 5 HD11 LEU 5 -2.970 -7.239 6.242 33 HD12 LEU 5 HD12 LEU 5 -2.253 -8.417 5.142 34 HD13 LEU 5 HD13 LEU 5 -3.369 -8.950 6.399 35 HD21 LEU 5 HD21 LEU 5 -5.281 -9.080 3.191 36 HD22 LEU 5 HD22 LEU 5 -4.689 -10.068 4.524 37 HD23 LEU 5 HD23 LEU 5 -3.555 -9.413 3.345 38 H GLN 6 HN GLN 6 -7.067 -4.925 6.327 39 HA GLN 6 HA GLN 6 -5.816 -2.939 4.577 40 HB2 GLN 6 HB2 GLN 6 -8.147 -2.503 5.291 41 HB3 GLN 6 HB1 GLN 6 -7.625 -2.545 6.970 42 HG2 GLN 6 HG2 GLN 6 -6.171 -0.614 6.547 43 HG3 GLN 6 HG1 GLN 6 -6.755 -0.563 4.884 44 HE21 GLN 6 HE21 GLN 6 -7.546 -0.006 8.215 45 HE22 GLN 6 HE22 GLN 6 -8.988 0.902 7.932 46 H VAL 7 HN VAL 7 -3.907 -2.115 5.117 47 HA VAL 7 HA VAL 7 -2.893 -2.694 7.820 48 HB VAL 7 HB VAL 7 -0.665 -2.989 6.915 49 HG11 VAL 7 HG11 VAL 7 -1.970 -4.993 7.044 50 HG12 VAL 7 HG12 VAL 7 -1.028 -5.044 5.556 51 HG13 VAL 7 HG13 VAL 7 -2.745 -4.650 5.499 52 HG21 VAL 7 HG21 VAL 7 -1.907 -2.495 4.211 53 HG22 VAL 7 HG22 VAL 7 -0.261 -3.062 4.487 54 HG23 VAL 7 HG23 VAL 7 -0.744 -1.460 5.043 55 H ARG 8 HN ARG 8 -1.568 -1.177 8.786 56 HA ARG 8 HA ARG 8 -1.382 1.435 7.434 57 HB2 ARG 8 HB2 ARG 8 -1.216 0.847 10.397 58 HB3 ARG 8 HB1 ARG 8 -1.144 2.437 9.654 59 HG2 ARG 8 HG2 ARG 8 -3.455 2.075 8.811 60 HG3 ARG 8 HG1 ARG 8 -3.506 0.574 9.739 61 HD2 ARG 8 HD2 ARG 8 -3.229 3.386 10.781 62 HD3 ARG 8 HD1 ARG 8 -4.549 2.255 11.060 63 HE ARG 8 HE ARG 8 -1.825 1.821 12.108 64 HH11 ARG 8 HH11 ARG 8 -5.305 1.879 12.546 65 HH12 ARG 8 HH12 ARG 8 -5.236 1.240 14.156 66 HH21 ARG 8 HH21 ARG 8 -1.734 1.018 14.238 67 HH22 ARG 8 HH22 ARG 8 -3.203 0.747 15.118 68 H ALA 9 HN ALA 9 0.561 1.563 6.505 69 HA ALA 9 HA ALA 9 2.826 0.261 7.846 70 HB1 ALA 9 HB1 ALA 9 2.557 1.123 4.970 71 HB2 ALA 9 HB2 ALA 9 2.369 -0.522 5.577 72 HB3 ALA 9 HB3 ALA 9 3.935 0.282 5.676 73 H THR 10 HN THR 10 4.444 1.432 8.647 74 HA THR 10 HA THR 10 4.472 4.299 7.999 75 HB THR 10 HB THR 10 5.900 3.027 10.328 76 HG1 THR 10 HG1 THR 10 3.707 2.469 10.530 77 HG21 THR 10 HG21 THR 10 5.644 5.268 11.304 78 HG22 THR 10 HG22 THR 10 4.815 5.806 9.845 79 HG23 THR 10 HG23 THR 10 6.511 5.328 9.770 80 H LYS 11 HN LYS 11 5.709 4.267 6.175 81 HA LYS 11 HA LYS 11 8.507 4.321 6.555 82 HB2 LYS 11 HB2 LYS 11 9.114 2.597 4.909 83 HB3 LYS 11 HB1 LYS 11 8.287 1.895 6.292 84 HG2 LYS 11 HG2 LYS 11 6.178 1.961 4.903 85 HG3 LYS 11 HG1 LYS 11 7.209 2.354 3.525 86 HD2 LYS 11 HD2 LYS 11 7.457 -0.101 5.262 87 HD3 LYS 11 HD1 LYS 11 6.724 -0.051 3.660 88 HE2 LYS 11 HE2 LYS 11 8.828 0.530 2.655 89 HE3 LYS 11 HE1 LYS 11 9.583 0.705 4.239 90 HZ1 LYS 11 HZ1 LYS 11 9.305 -1.638 4.624 91 HZ2 LYS 11 HZ2 LYS 11 10.119 -1.414 3.160 92 HZ3 LYS 11 HZ3 LYS 11 8.484 -1.832 3.160 93 H ASP 12 HN ASP 12 9.467 5.553 4.923 94 HA ASP 12 HA ASP 12 7.673 6.705 2.954 95 HB2 ASP 12 HB2 ASP 12 9.235 8.224 4.003 96 HB3 ASP 12 HB1 ASP 12 10.597 7.201 3.560 97 H TYR 13 HN TYR 13 7.182 5.106 1.513 98 HA TYR 13 HA TYR 13 9.450 3.784 0.183 99 HB2 TYR 13 HB2 TYR 13 8.015 2.313 1.657 100 HB3 TYR 13 HB1 TYR 13 6.693 2.608 0.533 101 HD1 TYR 13 HD1 TYR 13 10.082 1.155 0.827 102 HD2 TYR 13 HD2 TYR 13 6.519 1.380 -1.481 103 HE1 TYR 13 HE1 TYR 13 10.877 -0.707 -0.570 104 HE2 TYR 13 HE2 TYR 13 7.300 -0.482 -2.883 105 HH TYR 13 HH TYR 13 9.439 -1.516 -3.531 106 H CYS 14 HN CYS 14 9.565 3.890 -1.939 107 HA CYS 14 HA CYS 14 9.171 4.413 -4.085 108 HB2 CYS 14 HB2 CYS 14 7.529 2.635 -3.963 109 HB3 CYS 14 HB1 CYS 14 6.325 3.745 -3.324 110 HG CYS 14 HG CYS 14 5.309 4.230 -5.629 111 H ASN 15 HN ASN 15 5.973 5.566 -3.361 112 HA ASN 15 HA ASN 15 4.941 7.466 -3.970 113 HB2 ASN 15 HB2 ASN 15 7.492 8.671 -2.898 114 HB3 ASN 15 HB1 ASN 15 6.119 9.639 -3.423 115 HD21 ASN 15 HD21 ASN 15 7.363 7.511 -0.997 116 HD22 ASN 15 HD22 ASN 15 6.083 7.723 0.144 117 H ASN 16 HN ASN 16 8.125 8.763 -4.847 118 HA ASN 16 HA ASN 16 8.956 9.499 -6.844 119 HB2 ASN 16 HB2 ASN 16 7.599 6.961 -7.780 120 HB3 ASN 16 HB1 ASN 16 8.653 7.928 -8.798 121 HD21 ASN 16 HD21 ASN 16 8.466 5.638 -6.248 122 HD22 ASN 16 HD22 ASN 16 10.167 5.372 -6.073 123 H TYR 17 HN TYR 17 7.937 9.292 -9.479 124 HA TYR 17 HA TYR 17 5.488 10.897 -9.302 125 HB2 TYR 17 HB2 TYR 17 7.524 10.589 -11.514 126 HB3 TYR 17 HB1 TYR 17 6.003 11.448 -11.711 127 HD1 TYR 17 HD1 TYR 17 5.740 13.676 -10.904 128 HD2 TYR 17 HD2 TYR 17 9.217 11.444 -9.906 129 HE1 TYR 17 HE1 TYR 17 6.791 15.716 -10.020 130 HE2 TYR 17 HE2 TYR 17 10.280 13.476 -9.023 131 HH TYR 17 HH TYR 17 8.527 16.371 -8.482 132 H ASP 18 HN ASP 18 6.936 8.327 -11.288 133 HA ASP 18 HA ASP 18 4.331 6.999 -11.349 134 HB2 ASP 18 HB2 ASP 18 4.374 8.087 -13.485 135 HB3 ASP 18 HB1 ASP 18 6.041 7.586 -13.768 136 H LEU 19 HN LEU 19 4.641 5.108 -10.431 137 HA LEU 19 HA LEU 19 6.546 3.233 -11.434 138 HB2 LEU 19 HB2 LEU 19 7.902 4.693 -9.841 139 HB3 LEU 19 HB1 LEU 19 6.888 4.074 -8.553 140 HG LEU 19 HG LEU 19 7.662 1.753 -9.216 141 HD11 LEU 19 HD11 LEU 19 8.460 2.307 -11.454 142 HD12 LEU 19 HD12 LEU 19 9.744 1.601 -10.473 143 HD13 LEU 19 HD13 LEU 19 9.708 3.340 -10.759 144 HD21 LEU 19 HD21 LEU 19 8.518 2.904 -7.247 145 HD22 LEU 19 HD22 LEU 19 9.733 3.715 -8.238 146 HD23 LEU 19 HD23 LEU 19 9.788 1.964 -8.030 147 H THR 20 HN THR 20 6.081 1.082 -10.564 148 HA THR 20 HA THR 20 3.479 1.022 -9.205 149 HB THR 20 HB THR 20 4.892 -1.316 -10.492 150 HG1 THR 20 HG1 THR 20 3.773 0.843 -11.675 151 HG21 THR 20 HG21 THR 20 1.992 -0.802 -9.805 152 HG22 THR 20 HG22 THR 20 3.087 -1.888 -8.947 153 HG23 THR 20 HG23 THR 20 2.615 -2.245 -10.608 154 H SER 21 HN SER 21 3.878 1.188 -7.130 155 HA SER 21 HA SER 21 5.080 -0.908 -5.639 156 HB2 SER 21 HB2 SER 21 6.510 1.766 -5.741 157 HB3 SER 21 HB1 SER 21 6.828 0.509 -4.549 158 HG SER 21 HG SER 21 6.940 -0.557 -6.998 159 H LEU 22 HN LEU 22 4.915 -0.354 -3.264 160 HA LEU 22 HA LEU 22 2.446 0.940 -2.729 161 HB2 LEU 22 HB2 LEU 22 4.618 -0.055 -0.892 162 HB3 LEU 22 HB1 LEU 22 3.119 0.639 -0.315 163 HG LEU 22 HG LEU 22 2.904 -1.717 -0.169 164 HD11 LEU 22 HD11 LEU 22 1.019 -2.183 -1.614 165 HD12 LEU 22 HD12 LEU 22 1.452 -0.824 -2.651 166 HD13 LEU 22 HD13 LEU 22 0.928 -0.535 -0.993 167 HD21 LEU 22 HD21 LEU 22 3.749 -1.858 -3.056 168 HD22 LEU 22 HD22 LEU 22 3.227 -3.218 -2.063 169 HD23 LEU 22 HD23 LEU 22 4.710 -2.352 -1.663 170 H ASN 23 HN ASN 23 2.351 3.066 -3.110 171 HA ASN 23 HA ASN 23 4.469 4.883 -2.481 172 HB2 ASN 23 HB2 ASN 23 1.585 5.312 -3.272 173 HB3 ASN 23 HB1 ASN 23 2.678 6.643 -2.926 174 HD21 ASN 23 HD21 ASN 23 2.554 7.466 -4.985 175 HD22 ASN 23 HD22 ASN 23 3.286 6.687 -6.348 176 H VAL 24 HN VAL 24 4.629 4.013 -0.238 177 HA VAL 24 HA VAL 24 2.541 4.787 1.611 178 HB VAL 24 HB VAL 24 5.271 3.753 2.356 179 HG11 VAL 24 HG11 VAL 24 3.931 4.589 4.189 180 HG12 VAL 24 HG12 VAL 24 4.060 2.837 4.291 181 HG13 VAL 24 HG13 VAL 24 2.576 3.578 3.695 182 HG21 VAL 24 HG21 VAL 24 2.860 2.134 1.544 183 HG22 VAL 24 HG22 VAL 24 4.310 1.482 2.308 184 HG23 VAL 24 HG23 VAL 24 4.411 2.212 0.707 185 H LYS 25 HN LYS 25 2.462 6.649 2.691 186 HA LYS 25 HA LYS 25 4.753 8.471 2.503 187 HB2 LYS 25 HB2 LYS 25 3.196 10.250 3.038 188 HB3 LYS 25 HB1 LYS 25 2.538 9.281 1.724 189 HG2 LYS 25 HG2 LYS 25 1.003 8.200 3.182 190 HG3 LYS 25 HG1 LYS 25 1.773 8.897 4.607 191 HD2 LYS 25 HD2 LYS 25 -0.207 10.143 4.216 192 HD3 LYS 25 HD1 LYS 25 1.141 11.159 3.706 193 HE2 LYS 25 HE2 LYS 25 0.735 10.562 1.384 194 HE3 LYS 25 HE1 LYS 25 -0.573 9.483 1.874 195 HZ1 LYS 25 HZ1 LYS 25 -1.480 11.557 1.132 196 HZ2 LYS 25 HZ2 LYS 25 -0.497 12.428 2.207 197 HZ3 LYS 25 HZ3 LYS 25 -1.719 11.424 2.805 198 H ALA 26 HN ALA 26 4.326 6.172 4.378 199 HA ALA 26 HA ALA 26 4.758 5.578 6.505 200 HB1 ALA 26 HB1 ALA 26 6.129 7.042 7.873 201 HB2 ALA 26 HB2 ALA 26 5.800 8.387 6.779 202 HB3 ALA 26 HB3 ALA 26 6.719 6.991 6.210 203 H GLY 27 HN GLY 27 2.633 5.226 7.142 204 HA2 GLY 27 HA2 GLY 27 1.522 5.488 9.273 205 HA3 GLY 27 HA1 GLY 27 1.771 7.219 9.136 206 H ASP 28 HN ASP 28 0.796 5.952 6.169 207 HA ASP 28 HA ASP 28 -1.925 6.914 6.676 208 HB2 ASP 28 HB2 ASP 28 -0.291 7.631 4.679 209 HB3 ASP 28 HB1 ASP 28 -1.063 6.248 3.909 210 H ILE 29 HN ILE 29 -3.338 5.657 4.696 211 HA ILE 29 HA ILE 29 -3.499 2.989 5.926 212 HB ILE 29 HB ILE 29 -5.637 4.560 4.480 213 HG12 ILE 29 HG12 ILE 29 -5.023 5.639 6.578 214 HG13 ILE 29 HG11 ILE 29 -6.614 4.901 6.718 215 HG21 ILE 29 HG21 ILE 29 -6.000 2.168 4.320 216 HG22 ILE 29 HG22 ILE 29 -7.184 2.898 5.404 217 HG23 ILE 29 HG23 ILE 29 -5.815 2.005 6.066 218 HD11 ILE 29 HD11 ILE 29 -4.038 3.777 7.791 219 HD12 ILE 29 HD12 ILE 29 -5.624 3.014 7.918 220 HD13 ILE 29 HD13 ILE 29 -5.314 4.550 8.726 221 H ILE 30 HN ILE 30 -3.189 1.223 4.782 222 HA ILE 30 HA ILE 30 -3.262 1.399 1.838 223 HB ILE 30 HB ILE 30 -1.530 -0.442 3.492 224 HG12 ILE 30 HG12 ILE 30 -0.753 2.070 2.001 225 HG13 ILE 30 HG11 ILE 30 -0.886 1.931 3.750 226 HG21 ILE 30 HG21 ILE 30 -2.032 -1.378 1.337 227 HG22 ILE 30 HG22 ILE 30 -0.364 -0.803 1.327 228 HG23 ILE 30 HG23 ILE 30 -1.627 0.138 0.538 229 HD11 ILE 30 HD11 ILE 30 0.890 0.226 3.712 230 HD12 ILE 30 HD12 ILE 30 1.417 1.796 3.103 231 HD13 ILE 30 HD13 ILE 30 1.060 0.486 1.976 232 H THR 31 HN THR 31 -4.463 -0.113 0.792 233 HA THR 31 HA THR 31 -5.769 -2.161 2.466 234 HB THR 31 HB THR 31 -6.814 -1.001 -0.126 235 HG1 THR 31 HG1 THR 31 -6.703 0.105 2.310 236 HG21 THR 31 HG21 THR 31 -8.154 -2.616 2.053 237 HG22 THR 31 HG22 THR 31 -7.694 -3.220 0.461 238 HG23 THR 31 HG23 THR 31 -8.941 -1.980 0.608 239 H VAL 32 HN VAL 32 -4.864 -4.106 2.131 240 HA VAL 32 HA VAL 32 -3.696 -4.606 -0.525 241 HB VAL 32 HB VAL 32 -1.974 -5.920 0.470 242 HG11 VAL 32 HG11 VAL 32 -2.329 -3.426 2.122 243 HG12 VAL 32 HG12 VAL 32 -1.628 -3.497 0.506 244 HG13 VAL 32 HG13 VAL 32 -0.814 -4.293 1.854 245 HG21 VAL 32 HG21 VAL 32 -1.799 -6.332 2.865 246 HG22 VAL 32 HG22 VAL 32 -3.289 -7.012 2.212 247 HG23 VAL 32 HG23 VAL 32 -3.334 -5.504 3.126 248 H LEU 33 HN LEU 33 -3.674 -6.805 -1.279 249 HA LEU 33 HA LEU 33 -5.756 -8.450 -0.050 250 HB2 LEU 33 HB2 LEU 33 -6.398 -9.230 -2.361 251 HB3 LEU 33 HB1 LEU 33 -6.907 -7.629 -1.903 252 HG LEU 33 HG LEU 33 -6.246 -7.799 -4.259 253 HD11 LEU 33 HD11 LEU 33 -4.805 -5.842 -4.365 254 HD12 LEU 33 HD12 LEU 33 -4.451 -6.007 -2.646 255 HD13 LEU 33 HD13 LEU 33 -6.094 -5.648 -3.179 256 HD21 LEU 33 HD21 LEU 33 -4.514 -9.492 -4.076 257 HD22 LEU 33 HD22 LEU 33 -3.472 -8.346 -3.234 258 HD23 LEU 33 HD23 LEU 33 -3.928 -8.057 -4.913 259 H GLU 34 HN GLU 34 -5.618 -10.714 -0.468 260 HA GLU 34 HA GLU 34 -2.846 -11.580 -0.951 261 HB2 GLU 34 HB2 GLU 34 -3.356 -11.698 1.427 262 HB3 GLU 34 HB1 GLU 34 -4.824 -12.605 1.092 263 HG2 GLU 34 HG2 GLU 34 -3.332 -14.373 0.062 264 HG3 GLU 34 HG1 GLU 34 -1.980 -13.504 0.787 265 H GLN 35 HN GLN 35 -2.951 -12.487 -2.911 266 HA GLN 35 HA GLN 35 -4.861 -14.676 -3.295 267 HB2 GLN 35 HB2 GLN 35 -5.675 -12.578 -4.416 268 HB3 GLN 35 HB1 GLN 35 -4.227 -12.613 -5.410 269 HG2 GLN 35 HG2 GLN 35 -4.911 -14.759 -6.343 270 HG3 GLN 35 HG1 GLN 35 -6.357 -14.740 -5.333 271 HE21 GLN 35 HE21 GLN 35 -4.763 -13.368 -8.087 272 HE22 GLN 35 HE22 GLN 35 -6.139 -12.537 -8.727 273 H HIS 36 HN HIS 36 -1.721 -13.529 -3.382 274 HA HIS 36 HA HIS 36 -0.890 -15.520 -5.374 275 HB2 HIS 36 HB2 HIS 36 0.577 -13.047 -4.439 276 HB3 HIS 36 HB1 HIS 36 1.165 -14.192 -5.638 277 HD2 HIS 36 HD2 HIS 36 -1.517 -11.374 -5.286 278 HE1 HIS 36 HE1 HIS 36 -1.060 -12.378 -9.369 279 HE2 HIS 36 HE2 HIS 36 -2.309 -10.920 -7.714 280 HA PRO 37 HA PRO 37 0.796 -17.529 -1.705 281 HB2 PRO 37 HB2 PRO 37 1.341 -19.881 -2.930 282 HB3 PRO 37 HB1 PRO 37 -0.285 -19.445 -2.391 283 HG2 PRO 37 HG2 PRO 37 0.907 -19.311 -5.129 284 HG3 PRO 37 HG1 PRO 37 -0.710 -19.847 -4.637 285 HD2 PRO 37 HD2 PRO 37 -0.205 -17.380 -5.675 286 HD3 PRO 37 HD1 PRO 37 -1.523 -17.702 -4.532 287 H ASP 38 HN ASP 38 2.156 -16.396 -4.491 288 HA ASP 38 HA ASP 38 4.730 -17.477 -4.571 289 HB2 ASP 38 HB2 ASP 38 3.827 -14.669 -5.240 290 HB3 ASP 38 HB1 ASP 38 5.356 -15.388 -5.726 291 H GLY 39 HN GLY 39 3.272 -15.180 -2.430 292 HA2 GLY 39 HA2 GLY 39 4.307 -14.813 -0.264 293 HA3 GLY 39 HA1 GLY 39 5.872 -14.840 -1.074 294 H ARG 40 HN ARG 40 4.258 -13.289 -3.251 295 HA ARG 40 HA ARG 40 4.577 -10.658 -1.990 296 HB2 ARG 40 HB2 ARG 40 4.965 -9.750 -4.228 297 HB3 ARG 40 HB1 ARG 40 6.119 -11.025 -3.866 298 HG2 ARG 40 HG2 ARG 40 4.847 -12.586 -5.225 299 HG3 ARG 40 HG1 ARG 40 3.648 -11.335 -5.557 300 HD2 ARG 40 HD2 ARG 40 5.397 -9.981 -6.638 301 HD3 ARG 40 HD1 ARG 40 6.558 -11.276 -6.346 302 HE ARG 40 HE ARG 40 4.307 -12.263 -7.744 303 HH11 ARG 40 HH11 ARG 40 7.189 -10.336 -8.213 304 HH12 ARG 40 HH12 ARG 40 7.318 -10.716 -9.902 305 HH21 ARG 40 HH21 ARG 40 4.459 -12.741 -9.973 306 HH22 ARG 40 HH22 ARG 40 5.764 -12.067 -10.901 307 H TRP 41 HN TRP 41 2.863 -9.413 -1.802 308 HA TRP 41 HA TRP 41 0.377 -10.252 -3.140 309 HB2 TRP 41 HB2 TRP 41 0.670 -8.621 -0.608 310 HB3 TRP 41 HB1 TRP 41 -0.833 -9.199 -1.309 311 HD1 TRP 41 HD1 TRP 41 0.693 -12.221 -1.786 312 HE1 TRP 41 HE1 TRP 41 0.688 -13.770 0.273 313 HE3 TRP 41 HE3 TRP 41 -0.230 -8.742 1.837 314 HZ2 TRP 41 HZ2 TRP 41 0.338 -13.533 3.071 315 HZ3 TRP 41 HZ3 TRP 41 -0.389 -9.478 4.169 316 HH2 TRP 41 HH2 TRP 41 -0.113 -11.823 4.776 317 H LYS 42 HN LYS 42 -1.123 -8.427 -3.594 318 HA LYS 42 HA LYS 42 0.367 -6.024 -4.387 319 HB2 LYS 42 HB2 LYS 42 -2.288 -7.054 -5.409 320 HB3 LYS 42 HB1 LYS 42 -1.497 -5.579 -5.943 321 HG2 LYS 42 HG2 LYS 42 0.370 -6.894 -6.816 322 HG3 LYS 42 HG1 LYS 42 -0.427 -8.376 -6.283 323 HD2 LYS 42 HD2 LYS 42 -2.342 -7.835 -7.748 324 HD3 LYS 42 HD1 LYS 42 -1.477 -6.407 -8.315 325 HE2 LYS 42 HE2 LYS 42 -0.507 -9.250 -8.595 326 HE3 LYS 42 HE1 LYS 42 -1.299 -8.319 -9.866 327 HZ1 LYS 42 HZ1 LYS 42 0.521 -6.728 -9.777 328 HZ2 LYS 42 HZ2 LYS 42 1.095 -8.279 -10.115 329 HZ3 LYS 42 HZ3 LYS 42 1.282 -7.632 -8.567 330 H GLY 43 HN GLY 43 -0.450 -3.997 -3.817 331 HA2 GLY 43 HA2 GLY 43 -2.785 -3.944 -2.064 332 HA3 GLY 43 HA1 GLY 43 -1.252 -3.409 -1.398 333 H CYS 44 HN CYS 44 -3.771 -1.979 -1.870 334 HA CYS 44 HA CYS 44 -2.817 0.058 -3.762 335 HB2 CYS 44 HB2 CYS 44 -5.079 -0.969 -4.158 336 HB3 CYS 44 HB1 CYS 44 -5.601 -0.271 -2.629 337 HG CYS 44 HG CYS 44 -6.473 1.855 -3.753 338 H ILE 45 HN ILE 45 -2.768 2.206 -3.133 339 HA ILE 45 HA ILE 45 -2.503 2.590 -0.228 340 HB ILE 45 HB ILE 45 -1.543 4.391 -2.466 341 HG12 ILE 45 HG12 ILE 45 -0.425 2.167 -2.519 342 HG13 ILE 45 HG11 ILE 45 0.679 3.487 -2.150 343 HG21 ILE 45 HG21 ILE 45 -1.860 5.542 -0.355 344 HG22 ILE 45 HG22 ILE 45 -0.142 5.407 -0.728 345 HG23 ILE 45 HG23 ILE 45 -0.870 4.339 0.472 346 HD11 ILE 45 HD11 ILE 45 -0.509 1.561 -0.172 347 HD12 ILE 45 HD12 ILE 45 0.573 2.897 0.220 348 HD13 ILE 45 HD13 ILE 45 1.148 1.557 -0.776 349 H HIS 46 HN HIS 46 -3.992 3.807 0.812 350 HA HIS 46 HA HIS 46 -5.869 5.316 -0.877 351 HB2 HIS 46 HB2 HIS 46 -6.782 3.532 0.658 352 HB3 HIS 46 HB1 HIS 46 -6.212 4.491 2.019 353 HD2 HIS 46 HD2 HIS 46 -7.511 7.092 2.191 354 HE1 HIS 46 HE1 HIS 46 -10.925 5.654 0.155 355 HE2 HIS 46 HE2 HIS 46 -10.051 7.399 1.762 356 H ASP 47 HN ASP 47 -5.017 7.276 -1.127 357 HA ASP 47 HA ASP 47 -3.643 8.646 0.982 358 HB2 ASP 47 HB2 ASP 47 -2.914 9.149 -1.221 359 HB3 ASP 47 HB1 ASP 47 -4.555 9.457 -1.774 360 H ASN 48 HN ASN 48 -4.786 9.215 2.692 361 HA ASN 48 HA ASN 48 -7.546 10.042 2.454 362 HB2 ASN 48 HB2 ASN 48 -5.708 9.730 4.830 363 HB3 ASN 48 HB1 ASN 48 -7.372 10.289 4.961 364 HD21 ASN 48 HD21 ASN 48 -5.288 7.570 4.355 365 HD22 ASN 48 HD22 ASN 48 -6.534 6.366 4.416 366 H ARG 49 HN ARG 49 -4.870 11.607 1.749 367 HA ARG 49 HA ARG 49 -5.342 14.081 3.178 368 HB2 ARG 49 HB2 ARG 49 -3.050 13.367 2.659 369 HB3 ARG 49 HB1 ARG 49 -3.414 13.424 0.943 370 HG2 ARG 49 HG2 ARG 49 -3.745 15.824 1.071 371 HG3 ARG 49 HG1 ARG 49 -3.444 15.787 2.810 372 HD2 ARG 49 HD2 ARG 49 -1.187 14.939 2.399 373 HD3 ARG 49 HD1 ARG 49 -1.491 14.969 0.664 374 HE ARG 49 HE ARG 49 -1.951 17.514 1.335 375 HH11 ARG 49 HH11 ARG 49 0.676 15.355 2.154 376 HH12 ARG 49 HH12 ARG 49 1.859 16.620 2.250 377 HH21 ARG 49 HH21 ARG 49 -0.397 19.182 1.449 378 HH22 ARG 49 HH22 ARG 49 1.245 18.801 1.852 379 H THR 50 HN THR 50 -5.280 13.107 -0.254 380 HA THR 50 HA THR 50 -7.250 15.231 -0.770 381 HB THR 50 HB THR 50 -6.206 15.119 -3.167 382 HG1 THR 50 HG1 THR 50 -4.627 13.417 -1.963 383 HG21 THR 50 HG21 THR 50 -6.207 17.101 -1.743 384 HG22 THR 50 HG22 THR 50 -4.653 16.923 -2.559 385 HG23 THR 50 HG23 THR 50 -4.812 16.479 -0.860 386 H GLY 51 HN GLY 51 -6.229 11.945 -1.445 387 HA2 GLY 51 HA2 GLY 51 -8.153 10.390 -1.663 388 HA3 GLY 51 HA1 GLY 51 -8.816 11.535 -2.817 389 H ASN 52 HN ASN 52 -5.412 10.821 -2.760 390 HA ASN 52 HA ASN 52 -5.492 9.893 -5.470 391 HB2 ASN 52 HB2 ASN 52 -3.191 9.932 -3.503 392 HB3 ASN 52 HB1 ASN 52 -3.052 9.627 -5.230 393 HD21 ASN 52 HD21 ASN 52 -5.056 11.641 -5.928 394 HD22 ASN 52 HD22 ASN 52 -4.283 13.171 -5.701 395 H ASP 53 HN ASP 53 -4.798 7.827 -6.229 396 HA ASP 53 HA ASP 53 -4.932 5.650 -4.264 397 HB2 ASP 53 HB2 ASP 53 -6.723 6.083 -6.614 398 HB3 ASP 53 HB1 ASP 53 -6.268 4.437 -6.196 399 H ARG 54 HN ARG 54 -2.948 4.825 -4.440 400 HA ARG 54 HA ARG 54 -1.887 4.287 -7.142 401 HB2 ARG 54 HB2 ARG 54 -0.385 4.670 -4.543 402 HB3 ARG 54 HB1 ARG 54 0.353 4.283 -6.088 403 HG2 ARG 54 HG2 ARG 54 -1.190 6.796 -5.481 404 HG3 ARG 54 HG1 ARG 54 0.568 6.654 -5.501 405 HD2 ARG 54 HD2 ARG 54 0.389 5.913 -7.890 406 HD3 ARG 54 HD1 ARG 54 -1.328 6.311 -7.818 407 HE ARG 54 HE ARG 54 0.173 8.532 -6.967 408 HH11 ARG 54 HH11 ARG 54 -0.583 6.739 -9.874 409 HH12 ARG 54 HH12 ARG 54 -0.301 8.082 -10.932 410 HH21 ARG 54 HH21 ARG 54 0.540 10.308 -8.353 411 HH22 ARG 54 HH22 ARG 54 0.325 10.119 -10.064 412 H VAL 55 HN VAL 55 -0.657 2.254 -7.379 413 HA VAL 55 HA VAL 55 -1.428 0.225 -5.392 414 HB VAL 55 HB VAL 55 -2.906 0.067 -7.366 415 HG11 VAL 55 HG11 VAL 55 -0.371 -0.517 -8.886 416 HG12 VAL 55 HG12 VAL 55 -1.397 0.906 -9.069 417 HG13 VAL 55 HG13 VAL 55 -2.012 -0.685 -9.517 418 HG21 VAL 55 HG21 VAL 55 -2.605 -2.327 -7.798 419 HG22 VAL 55 HG22 VAL 55 -2.430 -1.944 -6.087 420 HG23 VAL 55 HG23 VAL 55 -0.999 -2.253 -7.071 421 H GLY 56 HN GLY 56 0.032 -1.435 -5.025 422 HA2 GLY 56 HA2 GLY 56 2.448 -1.635 -6.624 423 HA3 GLY 56 HA1 GLY 56 2.689 -1.019 -4.994 424 H TYR 57 HN TYR 57 3.936 -3.348 -5.737 425 HA TYR 57 HA TYR 57 2.353 -5.382 -4.316 426 HB2 TYR 57 HB2 TYR 57 3.749 -7.074 -5.530 427 HB3 TYR 57 HB1 TYR 57 2.674 -6.138 -6.559 428 HD1 TYR 57 HD1 TYR 57 6.151 -6.856 -5.699 429 HD2 TYR 57 HD2 TYR 57 3.581 -4.495 -8.131 430 HE1 TYR 57 HE1 TYR 57 8.065 -6.239 -7.111 431 HE2 TYR 57 HE2 TYR 57 5.489 -3.874 -9.550 432 HH TYR 57 HH TYR 57 7.920 -3.712 -9.378 433 H PHE 58 HN PHE 58 3.402 -6.694 -2.796 434 HA PHE 58 HA PHE 58 6.061 -5.840 -1.926 435 HB2 PHE 58 HB2 PHE 58 5.278 -5.385 0.361 436 HB3 PHE 58 HB1 PHE 58 4.525 -4.298 -0.797 437 HD1 PHE 58 HD1 PHE 58 2.163 -4.896 -1.605 438 HD2 PHE 58 HD2 PHE 58 3.984 -6.637 1.825 439 HE1 PHE 58 HE1 PHE 58 -0.050 -5.548 -0.769 440 HE2 PHE 58 HE2 PHE 58 1.769 -7.296 2.667 441 HZ PHE 58 HZ PHE 58 -0.249 -6.752 1.370 442 HA PRO 59 HA PRO 59 6.258 -10.120 -0.761 443 HB2 PRO 59 HB2 PRO 59 8.443 -9.690 1.041 444 HB3 PRO 59 HB1 PRO 59 8.506 -10.253 -0.628 445 HG2 PRO 59 HG2 PRO 59 9.484 -7.826 0.247 446 HG3 PRO 59 HG1 PRO 59 9.031 -8.186 -1.426 447 HD2 PRO 59 HD2 PRO 59 7.496 -6.726 0.685 448 HD3 PRO 59 HD1 PRO 59 7.622 -6.396 -1.056 449 H SER 60 HN SER 60 4.251 -8.927 0.661 450 HA SER 60 HA SER 60 2.941 -9.197 2.484 451 HB2 SER 60 HB2 SER 60 3.604 -11.569 2.287 452 HB3 SER 60 HB1 SER 60 4.992 -11.258 3.329 453 HG SER 60 HG SER 60 3.301 -12.099 4.547 454 H SER 61 HN SER 61 3.086 -9.237 5.040 455 HA SER 61 HA SER 61 3.404 -7.844 6.815 456 HB2 SER 61 HB2 SER 61 5.753 -7.870 7.679 457 HB3 SER 61 HB1 SER 61 5.123 -9.462 7.262 458 HG SER 61 HG SER 61 6.314 -8.385 5.113 459 H LEU 62 HN LEU 62 2.665 -6.085 5.283 460 HA LEU 62 HA LEU 62 4.731 -4.196 4.508 461 HB2 LEU 62 HB2 LEU 62 2.879 -4.717 2.975 462 HB3 LEU 62 HB1 LEU 62 1.737 -4.114 4.157 463 HG LEU 62 HG LEU 62 2.683 -1.857 3.925 464 HD11 LEU 62 HD11 LEU 62 4.265 -1.373 2.130 465 HD12 LEU 62 HD12 LEU 62 4.400 -3.096 1.779 466 HD13 LEU 62 HD13 LEU 62 4.966 -2.462 3.326 467 HD21 LEU 62 HD21 LEU 62 1.884 -3.152 1.323 468 HD22 LEU 62 HD22 LEU 62 1.853 -1.422 1.664 469 HD23 LEU 62 HD23 LEU 62 0.790 -2.514 2.551 470 H GLY 63 HN GLY 63 1.830 -4.263 6.545 471 HA2 GLY 63 HA2 GLY 63 3.055 -2.386 8.384 472 HA3 GLY 63 HA1 GLY 63 1.635 -1.786 7.540 473 H GLU 64 HN GLU 64 0.947 -1.628 9.860 474 HA GLU 64 HA GLU 64 0.289 -3.967 11.317 475 HB2 GLU 64 HB2 GLU 64 -0.636 -1.108 11.474 476 HB3 GLU 64 HB1 GLU 64 -1.339 -2.350 12.498 477 HG2 GLU 64 HG2 GLU 64 0.355 -1.197 13.724 478 HG3 GLU 64 HG1 GLU 64 0.910 -2.836 13.392 479 H ALA 65 HN ALA 65 -1.015 -5.457 10.507 480 HA ALA 65 HA ALA 65 -3.124 -4.787 8.662 481 HB1 ALA 65 HB1 ALA 65 -3.478 -7.189 8.508 482 HB2 ALA 65 HB2 ALA 65 -2.381 -7.450 9.865 483 HB3 ALA 65 HB3 ALA 65 -1.764 -6.800 8.347 484 H ILE 66 HN ILE 66 -4.412 -3.481 10.021 485 HA ILE 66 HA ILE 66 -5.629 -4.599 12.375 486 HB ILE 66 HB ILE 66 -6.971 -2.527 12.424 487 HG12 ILE 66 HG12 ILE 66 -5.450 -1.799 9.908 488 HG13 ILE 66 HG11 ILE 66 -7.160 -2.214 9.970 489 HG21 ILE 66 HG21 ILE 66 -4.014 -2.133 11.984 490 HG22 ILE 66 HG22 ILE 66 -4.803 -2.572 13.500 491 HG23 ILE 66 HG23 ILE 66 -5.086 -0.984 12.786 492 HD11 ILE 66 HD11 ILE 66 -6.815 0.189 9.841 493 HD12 ILE 66 HD12 ILE 66 -5.871 0.137 11.331 494 HD13 ILE 66 HD13 ILE 66 -7.588 -0.268 11.358 495 H VAL 67 HN VAL 67 -6.312 -4.542 9.017 496 HA VAL 67 HA VAL 67 -7.938 -5.455 7.740 497 HB VAL 67 HB VAL 67 -8.879 -6.822 10.259 498 HG11 VAL 67 HG11 VAL 67 -9.840 -8.474 8.709 499 HG12 VAL 67 HG12 VAL 67 -9.350 -7.463 7.350 500 HG13 VAL 67 HG13 VAL 67 -10.551 -6.875 8.500 501 HG21 VAL 67 HG21 VAL 67 -6.927 -7.759 8.161 502 HG22 VAL 67 HG22 VAL 67 -7.536 -8.728 9.504 503 HG23 VAL 67 HG23 VAL 67 -6.534 -7.311 9.820 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 -8.288 -14.616 9.125 2 H2 GLY 1 HT2 GLY 1 -8.149 -13.243 10.102 3 H3 GLY 1 HT3 GLY 1 -6.761 -14.012 9.517 4 HA2 GLY 1 HA1 GLY 1 -8.793 -12.633 7.858 5 HA3 GLY 1 HA2 GLY 1 -7.214 -11.987 8.282 6 H SER 2 HN SER 2 -8.695 -13.029 5.733 7 HA SER 2 HA SER 2 -6.310 -14.096 4.510 8 HB2 SER 2 HB2 SER 2 -7.549 -16.118 3.623 9 HB3 SER 2 HB1 SER 2 -7.181 -16.171 5.348 10 HG SER 2 HG SER 2 -9.627 -15.069 4.558 11 H HIS 3 HN HIS 3 -6.476 -14.201 2.198 12 HA HIS 3 HA HIS 3 -7.183 -13.626 0.117 13 HB2 HIS 3 HB2 HIS 3 -9.863 -13.200 1.440 14 HB3 HIS 3 HB1 HIS 3 -9.584 -13.063 -0.292 15 HD2 HIS 3 HD2 HIS 3 -8.464 -15.612 -1.364 16 HE1 HIS 3 HE1 HIS 3 -10.784 -17.772 1.438 17 HE2 HIS 3 HE2 HIS 3 -9.297 -17.948 -0.605 18 H MET 4 HN MET 4 -8.210 -11.418 2.677 19 HA MET 4 HA MET 4 -6.954 -9.233 1.256 20 HB2 MET 4 HB2 MET 4 -8.916 -7.762 1.403 21 HB3 MET 4 HB1 MET 4 -9.209 -9.135 0.348 22 HG2 MET 4 HG2 MET 4 -10.537 -10.217 2.014 23 HG3 MET 4 HG1 MET 4 -10.102 -9.005 3.218 24 HE1 MET 4 HE1 MET 4 -10.959 -8.279 -0.564 25 HE2 MET 4 HE2 MET 4 -12.709 -8.082 -0.481 26 HE3 MET 4 HE3 MET 4 -11.983 -9.657 -0.163 27 H LEU 5 HN LEU 5 -6.525 -7.409 2.578 28 HA LEU 5 HA LEU 5 -7.325 -7.378 5.322 29 HB2 LEU 5 HB2 LEU 5 -5.049 -7.565 6.277 30 HB3 LEU 5 HB1 LEU 5 -5.644 -9.063 5.593 31 HG LEU 5 HG LEU 5 -3.847 -7.294 3.972 32 HD11 LEU 5 HD11 LEU 5 -2.697 -7.565 6.084 33 HD12 LEU 5 HD12 LEU 5 -1.924 -8.542 4.839 34 HD13 LEU 5 HD13 LEU 5 -2.971 -9.307 6.034 35 HD21 LEU 5 HD21 LEU 5 -3.192 -9.434 2.976 36 HD22 LEU 5 HD22 LEU 5 -4.932 -9.172 2.853 37 HD23 LEU 5 HD23 LEU 5 -4.290 -10.275 4.068 38 H GLN 6 HN GLN 6 -6.991 -5.404 6.271 39 HA GLN 6 HA GLN 6 -5.794 -3.360 4.543 40 HB2 GLN 6 HB2 GLN 6 -8.198 -3.124 5.296 41 HB3 GLN 6 HB1 GLN 6 -7.589 -2.929 6.933 42 HG2 GLN 6 HG2 GLN 6 -6.394 -0.937 6.298 43 HG3 GLN 6 HG1 GLN 6 -6.861 -1.162 4.614 44 HE21 GLN 6 HE21 GLN 6 -7.918 -0.200 7.777 45 HE22 GLN 6 HE22 GLN 6 -9.405 0.526 7.275 46 H VAL 7 HN VAL 7 -3.912 -2.478 5.113 47 HA VAL 7 HA VAL 7 -2.901 -3.120 7.802 48 HB VAL 7 HB VAL 7 -0.676 -3.421 6.878 49 HG11 VAL 7 HG11 VAL 7 -2.094 -5.379 7.020 50 HG12 VAL 7 HG12 VAL 7 -1.043 -5.487 5.608 51 HG13 VAL 7 HG13 VAL 7 -2.742 -5.056 5.413 52 HG21 VAL 7 HG21 VAL 7 -1.955 -2.892 4.198 53 HG22 VAL 7 HG22 VAL 7 -0.320 -3.506 4.435 54 HG23 VAL 7 HG23 VAL 7 -0.747 -1.894 5.011 55 H ARG 8 HN ARG 8 -1.507 -1.686 8.784 56 HA ARG 8 HA ARG 8 -1.310 0.986 7.552 57 HB2 ARG 8 HB2 ARG 8 -1.387 0.189 10.465 58 HB3 ARG 8 HB1 ARG 8 -0.984 1.805 9.906 59 HG2 ARG 8 HG2 ARG 8 -3.208 1.961 8.855 60 HG3 ARG 8 HG1 ARG 8 -3.602 0.373 9.521 61 HD2 ARG 8 HD2 ARG 8 -3.265 1.220 11.778 62 HD3 ARG 8 HD1 ARG 8 -2.819 2.796 11.131 63 HE ARG 8 HE ARG 8 -5.414 1.945 10.276 64 HH11 ARG 8 HH11 ARG 8 -3.623 3.478 12.857 65 HH12 ARG 8 HH12 ARG 8 -5.005 4.303 13.505 66 HH21 ARG 8 HH21 ARG 8 -7.241 3.049 11.107 67 HH22 ARG 8 HH22 ARG 8 -7.059 4.073 12.494 68 H ALA 9 HN ALA 9 0.668 1.517 6.926 69 HA ALA 9 HA ALA 9 2.951 0.336 8.366 70 HB1 ALA 9 HB1 ALA 9 2.741 -0.656 6.136 71 HB2 ALA 9 HB2 ALA 9 4.203 0.320 6.269 72 HB3 ALA 9 HB3 ALA 9 2.796 0.952 5.415 73 H THR 10 HN THR 10 4.436 1.758 9.111 74 HA THR 10 HA THR 10 4.108 4.549 8.277 75 HB THR 10 HB THR 10 5.510 5.060 10.311 76 HG1 THR 10 HG1 THR 10 6.389 2.904 10.493 77 HG21 THR 10 HG21 THR 10 2.920 3.576 10.789 78 HG22 THR 10 HG22 THR 10 3.073 5.280 10.361 79 HG23 THR 10 HG23 THR 10 3.682 4.702 11.912 80 H LYS 11 HN LYS 11 5.276 4.669 6.466 81 HA LYS 11 HA LYS 11 8.077 4.996 6.706 82 HB2 LYS 11 HB2 LYS 11 8.014 2.530 6.452 83 HB3 LYS 11 HB1 LYS 11 7.104 2.714 4.960 84 HG2 LYS 11 HG2 LYS 11 8.988 3.834 3.920 85 HG3 LYS 11 HG1 LYS 11 9.902 3.729 5.426 86 HD2 LYS 11 HD2 LYS 11 9.794 1.275 5.300 87 HD3 LYS 11 HD1 LYS 11 8.915 1.404 3.775 88 HE2 LYS 11 HE2 LYS 11 10.823 2.547 2.767 89 HE3 LYS 11 HE1 LYS 11 11.699 2.448 4.292 90 HZ1 LYS 11 HZ1 LYS 11 10.797 0.123 2.680 91 HZ2 LYS 11 HZ2 LYS 11 11.682 0.048 4.118 92 HZ3 LYS 11 HZ3 LYS 11 12.375 0.724 2.732 93 H ASP 12 HN ASP 12 8.817 6.302 5.002 94 HA ASP 12 HA ASP 12 6.761 7.160 3.116 95 HB2 ASP 12 HB2 ASP 12 8.272 8.800 4.366 96 HB3 ASP 12 HB1 ASP 12 9.574 8.240 3.324 97 H TYR 13 HN TYR 13 6.713 5.158 1.997 98 HA TYR 13 HA TYR 13 9.164 4.184 0.779 99 HB2 TYR 13 HB2 TYR 13 7.555 2.654 1.940 100 HB3 TYR 13 HB1 TYR 13 6.386 3.001 0.675 101 HD1 TYR 13 HD1 TYR 13 9.568 1.317 1.445 102 HD2 TYR 13 HD2 TYR 13 6.593 2.024 -1.507 103 HE1 TYR 13 HE1 TYR 13 10.507 -0.496 0.076 104 HE2 TYR 13 HE2 TYR 13 7.521 0.211 -2.885 105 HH TYR 13 HH TYR 13 9.706 -0.948 -3.170 106 H CYS 14 HN CYS 14 9.712 4.519 -1.236 107 HA CYS 14 HA CYS 14 9.704 5.068 -3.418 108 HB2 CYS 14 HB2 CYS 14 8.135 3.237 -3.680 109 HB3 CYS 14 HB1 CYS 14 6.793 4.279 -3.237 110 HG CYS 14 HG CYS 14 7.177 3.533 -6.099 111 H ASN 15 HN ASN 15 6.374 6.106 -3.199 112 HA ASN 15 HA ASN 15 5.390 8.067 -3.771 113 HB2 ASN 15 HB2 ASN 15 7.638 9.154 -2.069 114 HB3 ASN 15 HB1 ASN 15 6.265 10.106 -2.621 115 HD21 ASN 15 HD21 ASN 15 7.369 7.691 -0.428 116 HD22 ASN 15 HD22 ASN 15 5.919 7.576 0.512 117 H ASN 16 HN ASN 16 7.174 7.016 -5.671 118 HA ASN 16 HA ASN 16 8.662 9.279 -6.746 119 HB2 ASN 16 HB2 ASN 16 8.458 6.406 -7.675 120 HB3 ASN 16 HB1 ASN 16 9.462 7.633 -8.435 121 HD21 ASN 16 HD21 ASN 16 10.289 8.897 -5.986 122 HD22 ASN 16 HD22 ASN 16 11.383 7.806 -5.206 123 H TYR 17 HN TYR 17 8.495 9.061 -9.423 124 HA TYR 17 HA TYR 17 5.924 10.254 -9.858 125 HB2 TYR 17 HB2 TYR 17 8.173 9.732 -11.810 126 HB3 TYR 17 HB1 TYR 17 6.757 10.728 -12.123 127 HD1 TYR 17 HD1 TYR 17 6.529 12.929 -11.095 128 HD2 TYR 17 HD2 TYR 17 9.967 10.529 -10.394 129 HE1 TYR 17 HE1 TYR 17 7.705 14.889 -10.190 130 HE2 TYR 17 HE2 TYR 17 11.153 12.480 -9.485 131 HH TYR 17 HH TYR 17 9.561 15.392 -8.695 132 H ASP 18 HN ASP 18 7.510 7.955 -12.065 133 HA ASP 18 HA ASP 18 4.898 6.625 -12.299 134 HB2 ASP 18 HB2 ASP 18 7.063 7.041 -14.350 135 HB3 ASP 18 HB1 ASP 18 5.772 5.865 -14.568 136 H LEU 19 HN LEU 19 4.957 4.925 -11.030 137 HA LEU 19 HA LEU 19 6.638 2.713 -11.645 138 HB2 LEU 19 HB2 LEU 19 8.115 4.211 -10.212 139 HB3 LEU 19 HB1 LEU 19 6.988 3.931 -8.902 140 HG LEU 19 HG LEU 19 7.483 1.491 -9.066 141 HD11 LEU 19 HD11 LEU 19 9.479 0.796 -10.300 142 HD12 LEU 19 HD12 LEU 19 9.625 2.420 -10.972 143 HD13 LEU 19 HD13 LEU 19 8.233 1.421 -11.379 144 HD21 LEU 19 HD21 LEU 19 9.694 1.649 -8.014 145 HD22 LEU 19 HD22 LEU 19 8.585 2.877 -7.404 146 HD23 LEU 19 HD23 LEU 19 9.832 3.316 -8.572 147 H THR 20 HN THR 20 5.828 0.796 -10.633 148 HA THR 20 HA THR 20 3.219 1.206 -9.351 149 HB THR 20 HB THR 20 4.353 -1.327 -10.566 150 HG1 THR 20 HG1 THR 20 3.207 0.869 -11.698 151 HG21 THR 20 HG21 THR 20 1.556 -0.632 -9.652 152 HG22 THR 20 HG22 THR 20 2.660 -1.756 -8.857 153 HG23 THR 20 HG23 THR 20 2.029 -2.126 -10.461 154 H SER 21 HN SER 21 3.482 1.351 -7.239 155 HA SER 21 HA SER 21 4.711 -0.689 -5.678 156 HB2 SER 21 HB2 SER 21 6.428 1.001 -4.715 157 HB3 SER 21 HB1 SER 21 6.798 0.238 -6.262 158 HG SER 21 HG SER 21 5.869 2.138 -7.253 159 H LEU 22 HN LEU 22 4.557 -0.193 -3.370 160 HA LEU 22 HA LEU 22 2.154 1.206 -2.754 161 HB2 LEU 22 HB2 LEU 22 4.262 -0.071 -1.021 162 HB3 LEU 22 HB1 LEU 22 2.860 0.736 -0.356 163 HG LEU 22 HG LEU 22 2.383 -1.577 -0.325 164 HD11 LEU 22 HD11 LEU 22 1.014 -0.433 -2.749 165 HD12 LEU 22 HD12 LEU 22 0.538 -0.165 -1.073 166 HD13 LEU 22 HD13 LEU 22 0.451 -1.785 -1.765 167 HD21 LEU 22 HD21 LEU 22 4.098 -2.343 -1.859 168 HD22 LEU 22 HD22 LEU 22 3.198 -1.676 -3.221 169 HD23 LEU 22 HD23 LEU 22 2.528 -3.017 -2.294 170 H ASN 23 HN ASN 23 2.219 3.358 -3.049 171 HA ASN 23 HA ASN 23 4.481 4.940 -2.230 172 HB2 ASN 23 HB2 ASN 23 1.772 5.620 -3.350 173 HB3 ASN 23 HB1 ASN 23 2.825 6.875 -2.712 174 HD21 ASN 23 HD21 ASN 23 3.936 4.002 -4.410 175 HD22 ASN 23 HD22 ASN 23 4.522 4.841 -5.805 176 H VAL 24 HN VAL 24 4.295 3.915 -0.037 177 HA VAL 24 HA VAL 24 2.246 4.840 1.745 178 HB VAL 24 HB VAL 24 4.953 3.795 2.573 179 HG11 VAL 24 HG11 VAL 24 3.730 2.926 4.501 180 HG12 VAL 24 HG12 VAL 24 2.231 3.599 3.857 181 HG13 VAL 24 HG13 VAL 24 3.540 4.675 4.352 182 HG21 VAL 24 HG21 VAL 24 2.559 2.190 1.689 183 HG22 VAL 24 HG22 VAL 24 3.954 1.525 2.539 184 HG23 VAL 24 HG23 VAL 24 4.152 2.229 0.934 185 H LYS 25 HN LYS 25 2.384 6.499 3.274 186 HA LYS 25 HA LYS 25 4.660 8.331 2.890 187 HB2 LYS 25 HB2 LYS 25 3.064 10.227 2.937 188 HB3 LYS 25 HB1 LYS 25 2.863 9.180 1.540 189 HG2 LYS 25 HG2 LYS 25 1.048 8.026 3.003 190 HG3 LYS 25 HG1 LYS 25 1.087 9.537 3.910 191 HD2 LYS 25 HD2 LYS 25 -0.649 9.655 2.238 192 HD3 LYS 25 HD1 LYS 25 0.653 10.763 1.805 193 HE2 LYS 25 HE2 LYS 25 -0.155 9.537 -0.145 194 HE3 LYS 25 HE1 LYS 25 1.522 9.139 0.208 195 HZ1 LYS 25 HZ1 LYS 25 0.489 7.112 -0.247 196 HZ2 LYS 25 HZ2 LYS 25 -0.886 7.485 0.658 197 HZ3 LYS 25 HZ3 LYS 25 0.568 7.142 1.443 198 H ALA 26 HN ALA 26 3.879 6.395 4.960 199 HA ALA 26 HA ALA 26 4.065 6.156 7.195 200 HB1 ALA 26 HB1 ALA 26 5.117 8.975 7.097 201 HB2 ALA 26 HB2 ALA 26 6.068 7.503 6.888 202 HB3 ALA 26 HB3 ALA 26 5.301 7.845 8.440 203 H GLY 27 HN GLY 27 1.770 5.995 7.392 204 HA2 GLY 27 HA2 GLY 27 0.434 6.782 9.398 205 HA3 GLY 27 HA1 GLY 27 0.537 8.368 8.645 206 H ASP 28 HN ASP 28 0.381 6.746 6.022 207 HA ASP 28 HA ASP 28 -2.473 7.051 5.731 208 HB2 ASP 28 HB2 ASP 28 -2.013 6.520 3.342 209 HB3 ASP 28 HB1 ASP 28 -1.070 7.873 3.953 210 H ILE 29 HN ILE 29 -3.672 5.338 4.489 211 HA ILE 29 HA ILE 29 -3.215 2.806 5.901 212 HB ILE 29 HB ILE 29 -5.763 3.743 4.576 213 HG12 ILE 29 HG12 ILE 29 -5.167 5.324 6.349 214 HG13 ILE 29 HG11 ILE 29 -6.560 4.361 6.821 215 HG21 ILE 29 HG21 ILE 29 -5.616 1.340 4.911 216 HG22 ILE 29 HG22 ILE 29 -6.828 2.049 5.980 217 HG23 ILE 29 HG23 ILE 29 -5.250 1.589 6.618 218 HD11 ILE 29 HD11 ILE 29 -5.053 4.643 8.683 219 HD12 ILE 29 HD12 ILE 29 -3.725 3.963 7.742 220 HD13 ILE 29 HD13 ILE 29 -5.095 2.950 8.192 221 H ILE 30 HN ILE 30 -3.043 0.899 4.817 222 HA ILE 30 HA ILE 30 -3.084 1.057 1.870 223 HB ILE 30 HB ILE 30 -1.516 -0.949 3.477 224 HG12 ILE 30 HG12 ILE 30 -0.500 1.670 2.358 225 HG13 ILE 30 HG11 ILE 30 -0.784 1.348 4.065 226 HG21 ILE 30 HG21 ILE 30 -1.314 0.014 0.630 227 HG22 ILE 30 HG22 ILE 30 -1.932 -1.546 1.168 228 HG23 ILE 30 HG23 ILE 30 -0.228 -1.148 1.388 229 HD11 ILE 30 HD11 ILE 30 1.201 -0.068 2.305 230 HD12 ILE 30 HD12 ILE 30 0.910 -0.409 4.011 231 HD13 ILE 30 HD13 ILE 30 1.567 1.154 3.523 232 H THR 31 HN THR 31 -4.584 -0.170 0.907 233 HA THR 31 HA THR 31 -5.874 -2.287 2.504 234 HB THR 31 HB THR 31 -6.951 -1.132 -0.067 235 HG1 THR 31 HG1 THR 31 -6.917 0.668 1.147 236 HG21 THR 31 HG21 THR 31 -9.098 -1.863 0.859 237 HG22 THR 31 HG22 THR 31 -8.283 -2.436 2.313 238 HG23 THR 31 HG23 THR 31 -7.964 -3.209 0.762 239 H VAL 32 HN VAL 32 -5.025 -4.267 2.070 240 HA VAL 32 HA VAL 32 -3.991 -4.674 -0.659 241 HB VAL 32 HB VAL 32 -2.160 -5.944 0.176 242 HG11 VAL 32 HG11 VAL 32 -0.943 -4.327 1.488 243 HG12 VAL 32 HG12 VAL 32 -2.448 -3.540 1.963 244 HG13 VAL 32 HG13 VAL 32 -1.925 -3.494 0.280 245 HG21 VAL 32 HG21 VAL 32 -3.313 -7.130 1.969 246 HG22 VAL 32 HG22 VAL 32 -3.339 -5.651 2.931 247 HG23 VAL 32 HG23 VAL 32 -1.802 -6.420 2.538 248 H LEU 33 HN LEU 33 -3.815 -6.938 -1.334 249 HA LEU 33 HA LEU 33 -5.839 -8.604 -0.048 250 HB2 LEU 33 HB2 LEU 33 -6.288 -9.642 -2.301 251 HB3 LEU 33 HB1 LEU 33 -6.916 -8.038 -2.036 252 HG LEU 33 HG LEU 33 -6.083 -8.409 -4.322 253 HD11 LEU 33 HD11 LEU 33 -4.800 -6.360 -4.547 254 HD12 LEU 33 HD12 LEU 33 -4.531 -6.330 -2.805 255 HD13 LEU 33 HD13 LEU 33 -6.163 -6.155 -3.449 256 HD21 LEU 33 HD21 LEU 33 -3.350 -8.598 -3.080 257 HD22 LEU 33 HD22 LEU 33 -3.723 -8.566 -4.803 258 HD23 LEU 33 HD23 LEU 33 -4.244 -9.928 -3.815 259 H GLU 34 HN GLU 34 -5.552 -10.898 -0.290 260 HA GLU 34 HA GLU 34 -2.694 -11.538 -0.096 261 HB2 GLU 34 HB2 GLU 34 -3.895 -11.934 1.948 262 HB3 GLU 34 HB1 GLU 34 -5.153 -12.820 1.099 263 HG2 GLU 34 HG2 GLU 34 -3.530 -14.580 0.561 264 HG3 GLU 34 HG1 GLU 34 -2.294 -13.695 1.458 265 H GLN 35 HN GLN 35 -1.848 -12.590 -1.745 266 HA GLN 35 HA GLN 35 -3.565 -14.385 -3.324 267 HB2 GLN 35 HB2 GLN 35 -1.000 -12.989 -4.122 268 HB3 GLN 35 HB1 GLN 35 -1.880 -14.126 -5.131 269 HG2 GLN 35 HG2 GLN 35 -2.939 -11.492 -4.137 270 HG3 GLN 35 HG1 GLN 35 -2.294 -11.795 -5.749 271 HE21 GLN 35 HE21 GLN 35 -3.481 -13.067 -7.190 272 HE22 GLN 35 HE22 GLN 35 -5.167 -13.374 -6.956 273 H HIS 36 HN HIS 36 -0.042 -14.218 -3.129 274 HA HIS 36 HA HIS 36 -0.029 -16.947 -2.026 275 HB2 HIS 36 HB2 HIS 36 1.706 -15.770 -4.201 276 HB3 HIS 36 HB1 HIS 36 2.118 -17.255 -3.352 277 HD2 HIS 36 HD2 HIS 36 -0.734 -15.941 -5.723 278 HE1 HIS 36 HE1 HIS 36 -0.496 -20.158 -5.930 279 HE2 HIS 36 HE2 HIS 36 -1.791 -18.112 -6.671 280 HA PRO 37 HA PRO 37 2.064 -14.585 1.239 281 HB2 PRO 37 HB2 PRO 37 2.213 -17.390 2.240 282 HB3 PRO 37 HB1 PRO 37 1.729 -15.918 3.089 283 HG2 PRO 37 HG2 PRO 37 -0.101 -17.660 2.288 284 HG3 PRO 37 HG1 PRO 37 -0.396 -15.917 2.144 285 HD2 PRO 37 HD2 PRO 37 0.335 -17.897 0.034 286 HD3 PRO 37 HD1 PRO 37 -0.754 -16.500 -0.058 287 H ASP 38 HN ASP 38 3.180 -17.394 -0.527 288 HA ASP 38 HA ASP 38 5.865 -17.242 0.531 289 HB2 ASP 38 HB2 ASP 38 4.631 -18.916 -1.652 290 HB3 ASP 38 HB1 ASP 38 6.338 -18.990 -1.233 291 H GLY 39 HN GLY 39 4.151 -15.606 -1.840 292 HA2 GLY 39 HA2 GLY 39 6.648 -14.940 -3.269 293 HA3 GLY 39 HA1 GLY 39 5.078 -15.007 -4.054 294 H ARG 40 HN ARG 40 3.848 -13.219 -4.111 295 HA ARG 40 HA ARG 40 4.390 -11.046 -2.264 296 HB2 ARG 40 HB2 ARG 40 4.659 -9.402 -4.067 297 HB3 ARG 40 HB1 ARG 40 5.938 -10.606 -4.086 298 HG2 ARG 40 HG2 ARG 40 4.788 -11.783 -5.905 299 HG3 ARG 40 HG1 ARG 40 3.541 -10.532 -5.903 300 HD2 ARG 40 HD2 ARG 40 5.204 -8.851 -6.462 301 HD3 ARG 40 HD1 ARG 40 6.476 -10.070 -6.411 302 HE ARG 40 HE ARG 40 4.535 -10.911 -8.236 303 HH11 ARG 40 HH11 ARG 40 6.908 -8.360 -7.885 304 HH12 ARG 40 HH12 ARG 40 7.155 -8.184 -9.595 305 HH21 ARG 40 HH21 ARG 40 4.860 -10.686 -10.477 306 HH22 ARG 40 HH22 ARG 40 5.991 -9.511 -11.068 307 H TRP 41 HN TRP 41 2.797 -9.379 -2.348 308 HA TRP 41 HA TRP 41 0.218 -10.279 -3.449 309 HB2 TRP 41 HB2 TRP 41 0.732 -8.755 -0.885 310 HB3 TRP 41 HB1 TRP 41 -0.853 -9.158 -1.526 311 HD1 TRP 41 HD1 TRP 41 0.673 -12.242 -2.201 312 HE1 TRP 41 HE1 TRP 41 0.514 -13.902 -0.242 313 HE3 TRP 41 HE3 TRP 41 -0.466 -8.966 1.544 314 HZ2 TRP 41 HZ2 TRP 41 -0.031 -13.827 2.527 315 HZ3 TRP 41 HZ3 TRP 41 -0.790 -9.835 3.814 316 HH2 TRP 41 HH2 TRP 41 -0.582 -12.216 4.298 317 H LYS 42 HN LYS 42 -1.309 -8.454 -3.761 318 HA LYS 42 HA LYS 42 0.092 -6.030 -4.640 319 HB2 LYS 42 HB2 LYS 42 -2.690 -6.982 -5.352 320 HB3 LYS 42 HB1 LYS 42 -1.872 -5.577 -6.019 321 HG2 LYS 42 HG2 LYS 42 -0.268 -6.956 -7.129 322 HG3 LYS 42 HG1 LYS 42 -0.888 -8.400 -6.326 323 HD2 LYS 42 HD2 LYS 42 -3.043 -8.086 -7.460 324 HD3 LYS 42 HD1 LYS 42 -2.392 -6.672 -8.289 325 HE2 LYS 42 HE2 LYS 42 -0.766 -8.023 -9.426 326 HE3 LYS 42 HE1 LYS 42 -1.230 -9.441 -8.489 327 HZ1 LYS 42 HZ1 LYS 42 -2.218 -9.555 -10.646 328 HZ2 LYS 42 HZ2 LYS 42 -2.900 -8.019 -10.484 329 HZ3 LYS 42 HZ3 LYS 42 -3.444 -9.290 -9.514 330 H GLY 43 HN GLY 43 -0.689 -4.003 -3.991 331 HA2 GLY 43 HA2 GLY 43 -2.819 -3.984 -1.992 332 HA3 GLY 43 HA1 GLY 43 -1.230 -3.425 -1.495 333 H CYS 44 HN CYS 44 -3.862 -2.075 -1.768 334 HA CYS 44 HA CYS 44 -3.108 0.009 -3.697 335 HB2 CYS 44 HB2 CYS 44 -5.383 -1.044 -3.878 336 HB3 CYS 44 HB1 CYS 44 -5.758 -0.385 -2.293 337 HG CYS 44 HG CYS 44 -6.984 1.526 -3.569 338 H ILE 45 HN ILE 45 -2.927 2.118 -3.038 339 HA ILE 45 HA ILE 45 -2.513 2.482 -0.157 340 HB ILE 45 HB ILE 45 -1.536 4.069 -2.542 341 HG12 ILE 45 HG12 ILE 45 -0.392 1.899 -2.100 342 HG13 ILE 45 HG11 ILE 45 0.668 3.295 -1.937 343 HG21 ILE 45 HG21 ILE 45 -1.011 4.579 0.381 344 HG22 ILE 45 HG22 ILE 45 -2.014 5.569 -0.679 345 HG23 ILE 45 HG23 ILE 45 -0.278 5.443 -0.970 346 HD11 ILE 45 HD11 ILE 45 -0.626 1.811 0.335 347 HD12 ILE 45 HD12 ILE 45 0.479 3.178 0.478 348 HD13 ILE 45 HD13 ILE 45 1.049 1.647 -0.185 349 H HIS 46 HN HIS 46 -3.742 3.887 0.979 350 HA HIS 46 HA HIS 46 -5.807 5.336 -0.519 351 HB2 HIS 46 HB2 HIS 46 -6.559 3.819 1.307 352 HB3 HIS 46 HB1 HIS 46 -5.634 4.779 2.456 353 HD2 HIS 46 HD2 HIS 46 -8.585 5.491 -0.074 354 HE1 HIS 46 HE1 HIS 46 -9.054 7.837 3.413 355 HE2 HIS 46 HE2 HIS 46 -9.961 7.351 1.100 356 H ASP 47 HN ASP 47 -5.515 7.372 -0.888 357 HA ASP 47 HA ASP 47 -3.303 8.834 0.011 358 HB2 ASP 47 HB2 ASP 47 -4.366 9.407 -2.057 359 HB3 ASP 47 HB1 ASP 47 -5.891 9.729 -1.246 360 H ASN 48 HN ASN 48 -2.935 10.114 1.667 361 HA ASN 48 HA ASN 48 -4.956 10.282 3.757 362 HB2 ASN 48 HB2 ASN 48 -2.802 9.478 4.484 363 HB3 ASN 48 HB1 ASN 48 -1.985 10.846 3.738 364 HD21 ASN 48 HD21 ASN 48 -3.997 9.807 6.397 365 HD22 ASN 48 HD22 ASN 48 -3.711 11.190 7.401 366 H ARG 49 HN ARG 49 -3.270 12.271 1.452 367 HA ARG 49 HA ARG 49 -4.816 14.577 2.274 368 HB2 ARG 49 HB2 ARG 49 -2.751 14.598 3.705 369 HB3 ARG 49 HB1 ARG 49 -1.800 14.756 2.237 370 HG2 ARG 49 HG2 ARG 49 -2.107 16.905 3.320 371 HG3 ARG 49 HG1 ARG 49 -2.899 16.877 1.742 372 HD2 ARG 49 HD2 ARG 49 -5.046 16.526 2.776 373 HD3 ARG 49 HD1 ARG 49 -4.299 16.385 4.366 374 HE ARG 49 HE ARG 49 -3.535 18.837 3.632 375 HH11 ARG 49 HH11 ARG 49 -6.649 17.257 3.522 376 HH12 ARG 49 HH12 ARG 49 -7.551 18.723 3.745 377 HH21 ARG 49 HH21 ARG 49 -4.706 20.776 3.933 378 HH22 ARG 49 HH22 ARG 49 -6.440 20.733 3.978 379 H THR 50 HN THR 50 -1.831 14.084 0.373 380 HA THR 50 HA THR 50 -3.281 14.769 -2.062 381 HB THR 50 HB THR 50 -2.571 16.939 -1.157 382 HG1 THR 50 HG1 THR 50 -1.361 15.958 -3.521 383 HG21 THR 50 HG21 THR 50 0.233 15.837 -1.351 384 HG22 THR 50 HG22 THR 50 -0.632 16.208 0.138 385 HG23 THR 50 HG23 THR 50 -0.194 17.505 -0.972 386 H GLY 51 HN GLY 51 -1.917 12.405 -0.987 387 HA2 GLY 51 HA2 GLY 51 0.463 12.189 -2.688 388 HA3 GLY 51 HA1 GLY 51 -0.034 11.041 -1.454 389 H ASN 52 HN ASN 52 -2.817 11.489 -2.715 390 HA ASN 52 HA ASN 52 -4.193 10.533 -4.221 391 HB2 ASN 52 HB2 ASN 52 -1.679 10.164 -5.854 392 HB3 ASN 52 HB1 ASN 52 -3.305 9.827 -6.440 393 HD21 ASN 52 HD21 ASN 52 -4.481 12.094 -5.015 394 HD22 ASN 52 HD22 ASN 52 -3.996 13.508 -5.884 395 H ASP 53 HN ASP 53 -4.650 8.404 -5.347 396 HA ASP 53 HA ASP 53 -3.833 6.312 -3.454 397 HB2 ASP 53 HB2 ASP 53 -6.295 6.480 -5.215 398 HB3 ASP 53 HB1 ASP 53 -5.958 5.220 -4.034 399 H ARG 54 HN ARG 54 -2.484 4.805 -4.219 400 HA ARG 54 HA ARG 54 -2.533 4.191 -7.099 401 HB2 ARG 54 HB2 ARG 54 -0.010 4.419 -5.450 402 HB3 ARG 54 HB1 ARG 54 -0.126 4.172 -7.188 403 HG2 ARG 54 HG2 ARG 54 -1.136 6.412 -7.402 404 HG3 ARG 54 HG1 ARG 54 -0.907 6.652 -5.670 405 HD2 ARG 54 HD2 ARG 54 0.920 7.709 -6.722 406 HD3 ARG 54 HD1 ARG 54 1.545 6.198 -6.063 407 HE ARG 54 HE ARG 54 0.800 5.655 -8.671 408 HH11 ARG 54 HH11 ARG 54 3.125 7.657 -6.992 409 HH12 ARG 54 HH12 ARG 54 4.188 7.799 -8.358 410 HH21 ARG 54 HH21 ARG 54 2.207 5.812 -10.466 411 HH22 ARG 54 HH22 ARG 54 3.648 6.777 -10.345 412 H VAL 55 HN VAL 55 -1.406 2.092 -7.590 413 HA VAL 55 HA VAL 55 -1.773 0.204 -5.360 414 HB VAL 55 HB VAL 55 -3.413 -0.083 -7.203 415 HG11 VAL 55 HG11 VAL 55 -2.040 0.619 -9.077 416 HG12 VAL 55 HG12 VAL 55 -2.678 -1.002 -9.348 417 HG13 VAL 55 HG13 VAL 55 -0.997 -0.786 -8.861 418 HG21 VAL 55 HG21 VAL 55 -1.466 -2.361 -6.863 419 HG22 VAL 55 HG22 VAL 55 -3.115 -2.504 -7.469 420 HG23 VAL 55 HG23 VAL 55 -2.830 -1.984 -5.810 421 H GLY 56 HN GLY 56 -0.273 -1.469 -5.104 422 HA2 GLY 56 HA2 GLY 56 2.067 -1.540 -6.834 423 HA3 GLY 56 HA1 GLY 56 2.352 -0.992 -5.189 424 H TYR 57 HN TYR 57 3.635 -3.225 -6.115 425 HA TYR 57 HA TYR 57 2.197 -5.426 -4.801 426 HB2 TYR 57 HB2 TYR 57 3.963 -6.853 -6.049 427 HB3 TYR 57 HB1 TYR 57 2.623 -6.184 -6.969 428 HD1 TYR 57 HD1 TYR 57 3.002 -4.569 -8.700 429 HD2 TYR 57 HD2 TYR 57 6.220 -5.859 -6.242 430 HE1 TYR 57 HE1 TYR 57 4.598 -3.516 -10.247 431 HE2 TYR 57 HE2 TYR 57 7.825 -4.812 -7.777 432 HH TYR 57 HH TYR 57 7.952 -4.120 -10.110 433 H PHE 58 HN PHE 58 3.182 -6.597 -3.195 434 HA PHE 58 HA PHE 58 5.829 -5.713 -2.280 435 HB2 PHE 58 HB2 PHE 58 4.997 -5.405 0.019 436 HB3 PHE 58 HB1 PHE 58 4.223 -4.289 -1.098 437 HD1 PHE 58 HD1 PHE 58 1.885 -4.833 -1.906 438 HD2 PHE 58 HD2 PHE 58 3.736 -6.864 1.338 439 HE1 PHE 58 HE1 PHE 58 -0.316 -5.584 -1.123 440 HE2 PHE 58 HE2 PHE 58 1.536 -7.619 2.123 441 HZ PHE 58 HZ PHE 58 -0.493 -6.980 0.894 442 HA PRO 59 HA PRO 59 6.365 -9.999 -1.473 443 HB2 PRO 59 HB2 PRO 59 8.302 -9.982 0.395 444 HB3 PRO 59 HB1 PRO 59 8.594 -9.471 -1.271 445 HG2 PRO 59 HG2 PRO 59 8.100 -7.801 1.163 446 HG3 PRO 59 HG1 PRO 59 9.290 -7.568 -0.131 447 HD2 PRO 59 HD2 PRO 59 6.930 -6.215 -0.012 448 HD3 PRO 59 HD1 PRO 59 7.759 -6.592 -1.534 449 H SER 60 HN SER 60 4.071 -9.258 -0.236 450 HA SER 60 HA SER 60 2.541 -9.922 1.259 451 HB2 SER 60 HB2 SER 60 2.816 -12.074 2.384 452 HB3 SER 60 HB1 SER 60 3.337 -12.166 0.705 453 HG SER 60 HG SER 60 5.495 -11.552 1.979 454 H SER 61 HN SER 61 1.806 -9.212 3.133 455 HA SER 61 HA SER 61 1.700 -8.303 5.205 456 HB2 SER 61 HB2 SER 61 2.596 -10.562 5.791 457 HB3 SER 61 HB1 SER 61 4.222 -9.887 5.738 458 HG SER 61 HG SER 61 3.723 -8.581 7.473 459 H LEU 62 HN LEU 62 2.292 -6.294 3.946 460 HA LEU 62 HA LEU 62 4.965 -5.280 4.363 461 HB2 LEU 62 HB2 LEU 62 3.710 -4.771 2.301 462 HB3 LEU 62 HB1 LEU 62 2.516 -3.908 3.252 463 HG LEU 62 HG LEU 62 4.295 -2.306 3.947 464 HD11 LEU 62 HD11 LEU 62 5.941 -3.797 1.908 465 HD12 LEU 62 HD12 LEU 62 6.240 -3.724 3.644 466 HD13 LEU 62 HD13 LEU 62 6.387 -2.266 2.663 467 HD21 LEU 62 HD21 LEU 62 2.783 -1.786 2.113 468 HD22 LEU 62 HD22 LEU 62 3.864 -2.595 0.979 469 HD23 LEU 62 HD23 LEU 62 4.392 -1.130 1.808 470 H GLY 63 HN GLY 63 1.756 -3.966 5.163 471 HA2 GLY 63 HA2 GLY 63 2.938 -2.617 7.479 472 HA3 GLY 63 HA1 GLY 63 1.377 -2.251 6.758 473 H GLU 64 HN GLU 64 1.124 -2.379 9.293 474 HA GLU 64 HA GLU 64 0.762 -5.086 10.250 475 HB2 GLU 64 HB2 GLU 64 0.131 -2.443 11.573 476 HB3 GLU 64 HB1 GLU 64 0.064 -4.017 12.353 477 HG2 GLU 64 HG2 GLU 64 2.483 -4.292 11.889 478 HG3 GLU 64 HG1 GLU 64 2.508 -2.643 11.268 479 H ALA 65 HN ALA 65 -1.031 -6.212 10.058 480 HA ALA 65 HA ALA 65 -3.340 -4.967 8.825 481 HB1 ALA 65 HB1 ALA 65 -2.925 -7.873 9.494 482 HB2 ALA 65 HB2 ALA 65 -2.394 -7.115 7.997 483 HB3 ALA 65 HB3 ALA 65 -4.112 -7.190 8.384 484 H ILE 66 HN ILE 66 -4.272 -3.779 10.485 485 HA ILE 66 HA ILE 66 -5.126 -5.164 12.892 486 HB ILE 66 HB ILE 66 -6.122 -3.007 13.561 487 HG12 ILE 66 HG12 ILE 66 -4.941 -1.940 10.984 488 HG13 ILE 66 HG11 ILE 66 -6.659 -2.214 11.259 489 HG21 ILE 66 HG21 ILE 66 -4.003 -1.779 13.815 490 HG22 ILE 66 HG22 ILE 66 -3.256 -2.859 12.636 491 HG23 ILE 66 HG23 ILE 66 -3.835 -3.497 14.175 492 HD11 ILE 66 HD11 ILE 66 -6.058 0.127 11.530 493 HD12 ILE 66 HD12 ILE 66 -4.921 -0.307 12.804 494 HD13 ILE 66 HD13 ILE 66 -6.648 -0.563 13.039 495 H VAL 67 HN VAL 67 -6.218 -4.919 9.797 496 HA VAL 67 HA VAL 67 -8.117 -5.531 8.734 497 HB VAL 67 HB VAL 67 -9.124 -6.410 11.446 498 HG11 VAL 67 HG11 VAL 67 -10.893 -6.214 9.780 499 HG12 VAL 67 HG12 VAL 67 -10.581 -7.907 10.167 500 HG13 VAL 67 HG13 VAL 67 -9.967 -7.217 8.665 501 HG21 VAL 67 HG21 VAL 67 -8.322 -8.643 10.813 502 HG22 VAL 67 HG22 VAL 67 -7.001 -7.482 10.931 503 HG23 VAL 67 HG23 VAL 67 -7.611 -7.964 9.349 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 -6.277 -13.031 10.705 2 H2 GLY 1 HT2 GLY 1 -4.958 -12.681 9.705 3 H3 GLY 1 HT3 GLY 1 -5.746 -14.166 9.571 4 HA2 GLY 1 HA1 GLY 1 -7.761 -13.059 8.826 5 HA3 GLY 1 HA2 GLY 1 -6.917 -11.522 8.934 6 H SER 2 HN SER 2 -8.141 -12.708 6.607 7 HA SER 2 HA SER 2 -5.947 -12.392 4.783 8 HB2 SER 2 HB2 SER 2 -6.381 -14.584 3.627 9 HB3 SER 2 HB1 SER 2 -5.655 -14.750 5.226 10 HG SER 2 HG SER 2 -8.237 -15.386 4.349 11 H HIS 3 HN HIS 3 -6.968 -13.061 2.445 12 HA HIS 3 HA HIS 3 -8.430 -12.494 0.808 13 HB2 HIS 3 HB2 HIS 3 -10.509 -12.906 2.967 14 HB3 HIS 3 HB1 HIS 3 -10.822 -12.847 1.238 15 HD2 HIS 3 HD2 HIS 3 -9.537 -15.039 -0.203 16 HE1 HIS 3 HE1 HIS 3 -9.674 -17.502 3.234 17 HE2 HIS 3 HE2 HIS 3 -9.153 -17.418 0.757 18 H MET 4 HN MET 4 -7.421 -10.360 1.014 19 HA MET 4 HA MET 4 -7.516 -8.107 0.912 20 HB2 MET 4 HB2 MET 4 -10.486 -8.539 1.214 21 HB3 MET 4 HB1 MET 4 -9.745 -6.971 0.923 22 HG2 MET 4 HG2 MET 4 -8.786 -7.860 -1.170 23 HG3 MET 4 HG1 MET 4 -9.652 -9.368 -0.889 24 HE1 MET 4 HE1 MET 4 -9.921 -7.719 -3.585 25 HE2 MET 4 HE2 MET 4 -11.662 -7.830 -3.839 26 HE3 MET 4 HE3 MET 4 -10.767 -9.228 -3.244 27 H LEU 5 HN LEU 5 -6.732 -6.843 2.392 28 HA LEU 5 HA LEU 5 -8.059 -6.515 4.943 29 HB2 LEU 5 HB2 LEU 5 -5.966 -7.001 6.219 30 HB3 LEU 5 HB1 LEU 5 -6.724 -8.409 5.506 31 HG LEU 5 HG LEU 5 -4.487 -7.061 4.042 32 HD11 LEU 5 HD11 LEU 5 -2.881 -8.495 5.216 33 HD12 LEU 5 HD12 LEU 5 -4.158 -9.006 6.323 34 HD13 LEU 5 HD13 LEU 5 -3.632 -7.322 6.298 35 HD21 LEU 5 HD21 LEU 5 -5.708 -8.847 2.924 36 HD22 LEU 5 HD22 LEU 5 -5.405 -9.927 4.284 37 HD23 LEU 5 HD23 LEU 5 -4.061 -9.359 3.292 38 H GLN 6 HN GLN 6 -7.277 -4.712 6.125 39 HA GLN 6 HA GLN 6 -5.812 -2.797 4.460 40 HB2 GLN 6 HB2 GLN 6 -7.992 -2.010 5.152 41 HB3 GLN 6 HB1 GLN 6 -7.647 -2.407 6.829 42 HG2 GLN 6 HG2 GLN 6 -5.863 -0.708 6.831 43 HG3 GLN 6 HG1 GLN 6 -6.311 -0.274 5.181 44 HE21 GLN 6 HE21 GLN 6 -6.357 1.296 7.681 45 HE22 GLN 6 HE22 GLN 6 -7.978 1.870 7.836 46 H VAL 7 HN VAL 7 -3.794 -2.321 4.973 47 HA VAL 7 HA VAL 7 -2.888 -2.939 7.703 48 HB VAL 7 HB VAL 7 -0.631 -3.272 6.826 49 HG11 VAL 7 HG11 VAL 7 -1.029 -5.370 5.584 50 HG12 VAL 7 HG12 VAL 7 -2.728 -4.928 5.429 51 HG13 VAL 7 HG13 VAL 7 -2.036 -5.223 7.022 52 HG21 VAL 7 HG21 VAL 7 -1.866 -2.853 4.108 53 HG22 VAL 7 HG22 VAL 7 -0.227 -3.429 4.409 54 HG23 VAL 7 HG23 VAL 7 -0.693 -1.800 4.901 55 H ARG 8 HN ARG 8 -1.683 -1.457 8.783 56 HA ARG 8 HA ARG 8 -1.496 1.204 7.537 57 HB2 ARG 8 HB2 ARG 8 -1.505 0.528 10.488 58 HB3 ARG 8 HB1 ARG 8 -1.566 2.135 9.778 59 HG2 ARG 8 HG2 ARG 8 -3.746 1.563 8.767 60 HG3 ARG 8 HG1 ARG 8 -3.689 0.009 9.601 61 HD2 ARG 8 HD2 ARG 8 -5.042 1.498 10.889 62 HD3 ARG 8 HD1 ARG 8 -3.527 1.247 11.751 63 HE ARG 8 HE ARG 8 -2.928 3.468 10.485 64 HH11 ARG 8 HH11 ARG 8 -5.921 2.613 12.088 65 HH12 ARG 8 HH12 ARG 8 -6.355 4.256 12.423 66 HH21 ARG 8 HH21 ARG 8 -3.498 5.634 10.926 67 HH22 ARG 8 HH22 ARG 8 -4.984 5.978 11.754 68 H ALA 9 HN ALA 9 0.486 1.444 6.737 69 HA ALA 9 HA ALA 9 2.717 0.154 8.158 70 HB1 ALA 9 HB1 ALA 9 2.293 -0.684 5.891 71 HB2 ALA 9 HB2 ALA 9 3.874 0.084 6.029 72 HB3 ALA 9 HB3 ALA 9 2.542 0.943 5.256 73 H THR 10 HN THR 10 4.413 1.304 8.832 74 HA THR 10 HA THR 10 4.489 4.159 8.141 75 HB THR 10 HB THR 10 6.162 4.233 10.090 76 HG1 THR 10 HG1 THR 10 6.497 1.973 10.272 77 HG21 THR 10 HG21 THR 10 3.882 5.112 10.252 78 HG22 THR 10 HG22 THR 10 4.372 4.345 11.762 79 HG23 THR 10 HG23 THR 10 3.286 3.502 10.657 80 H LYS 11 HN LYS 11 5.605 4.243 6.283 81 HA LYS 11 HA LYS 11 8.423 3.848 6.342 82 HB2 LYS 11 HB2 LYS 11 7.730 1.530 5.892 83 HB3 LYS 11 HB1 LYS 11 6.774 2.072 4.522 84 HG2 LYS 11 HG2 LYS 11 8.806 2.813 3.389 85 HG3 LYS 11 HG1 LYS 11 9.769 2.286 4.766 86 HD2 LYS 11 HD2 LYS 11 8.016 0.477 3.112 87 HD3 LYS 11 HD1 LYS 11 9.753 0.672 2.879 88 HE2 LYS 11 HE2 LYS 11 8.403 -0.333 5.383 89 HE3 LYS 11 HE1 LYS 11 9.237 -1.326 4.194 90 HZ1 LYS 11 HZ1 LYS 11 10.656 -0.901 6.073 91 HZ2 LYS 11 HZ2 LYS 11 10.471 0.769 5.899 92 HZ3 LYS 11 HZ3 LYS 11 11.288 -0.119 4.712 93 H ASP 12 HN ASP 12 9.381 5.167 4.844 94 HA ASP 12 HA ASP 12 7.639 6.770 3.160 95 HB2 ASP 12 HB2 ASP 12 9.467 7.861 4.412 96 HB3 ASP 12 HB1 ASP 12 10.643 6.873 3.553 97 H TYR 13 HN TYR 13 6.939 5.518 1.476 98 HA TYR 13 HA TYR 13 8.984 3.978 0.017 99 HB2 TYR 13 HB2 TYR 13 7.310 2.717 1.524 100 HB3 TYR 13 HB1 TYR 13 6.117 3.109 0.294 101 HD1 TYR 13 HD1 TYR 13 9.313 1.319 0.874 102 HD2 TYR 13 HD2 TYR 13 5.965 1.855 -1.690 103 HE1 TYR 13 HE1 TYR 13 10.003 -0.649 -0.427 104 HE2 TYR 13 HE2 TYR 13 6.643 -0.117 -2.997 105 HH TYR 13 HH TYR 13 8.778 -2.377 -1.930 106 H CYS 14 HN CYS 14 8.722 3.732 -2.193 107 HA CYS 14 HA CYS 14 8.093 4.161 -4.319 108 HB2 CYS 14 HB2 CYS 14 5.787 3.680 -3.672 109 HB3 CYS 14 HB1 CYS 14 5.588 5.331 -3.103 110 HG CYS 14 HG CYS 14 4.376 5.868 -5.320 111 H ASN 15 HN ASN 15 6.448 7.008 -3.042 112 HA ASN 15 HA ASN 15 6.704 9.219 -3.504 113 HB2 ASN 15 HB2 ASN 15 9.536 8.405 -2.890 114 HB3 ASN 15 HB1 ASN 15 9.077 10.079 -3.165 115 HD21 ASN 15 HD21 ASN 15 8.924 7.389 -1.014 116 HD22 ASN 15 HD22 ASN 15 8.275 8.251 0.343 117 H ASN 16 HN ASN 16 6.556 7.655 -5.851 118 HA ASN 16 HA ASN 16 8.125 9.340 -7.663 119 HB2 ASN 16 HB2 ASN 16 9.291 7.132 -7.332 120 HB3 ASN 16 HB1 ASN 16 7.881 6.351 -8.042 121 HD21 ASN 16 HD21 ASN 16 9.223 5.541 -9.715 122 HD22 ASN 16 HD22 ASN 16 9.721 6.556 -11.022 123 H TYR 17 HN TYR 17 7.272 9.388 -9.855 124 HA TYR 17 HA TYR 17 4.406 9.590 -9.738 125 HB2 TYR 17 HB2 TYR 17 6.272 10.153 -12.050 126 HB3 TYR 17 HB1 TYR 17 4.586 10.637 -11.937 127 HD1 TYR 17 HD1 TYR 17 3.965 12.633 -10.836 128 HD2 TYR 17 HD2 TYR 17 7.937 11.163 -10.436 129 HE1 TYR 17 HE1 TYR 17 4.633 14.743 -9.773 130 HE2 TYR 17 HE2 TYR 17 8.616 13.277 -9.370 131 HH TYR 17 HH TYR 17 7.883 15.616 -9.281 132 H ASP 18 HN ASP 18 6.623 7.995 -12.040 133 HA ASP 18 HA ASP 18 4.510 6.012 -12.514 134 HB2 ASP 18 HB2 ASP 18 6.919 6.799 -14.145 135 HB3 ASP 18 HB1 ASP 18 6.011 5.324 -14.461 136 H LEU 19 HN LEU 19 4.701 4.522 -11.007 137 HA LEU 19 HA LEU 19 6.897 2.707 -11.060 138 HB2 LEU 19 HB2 LEU 19 7.812 4.545 -9.637 139 HB3 LEU 19 HB1 LEU 19 6.468 4.325 -8.538 140 HG LEU 19 HG LEU 19 7.270 2.015 -8.080 141 HD11 LEU 19 HD11 LEU 19 9.653 2.878 -9.714 142 HD12 LEU 19 HD12 LEU 19 8.489 1.628 -10.153 143 HD13 LEU 19 HD13 LEU 19 9.539 1.405 -8.754 144 HD21 LEU 19 HD21 LEU 19 9.169 2.700 -6.697 145 HD22 LEU 19 HD22 LEU 19 7.840 3.855 -6.593 146 HD23 LEU 19 HD23 LEU 19 9.256 4.228 -7.576 147 H THR 20 HN THR 20 6.315 0.742 -10.022 148 HA THR 20 HA THR 20 3.552 0.685 -9.022 149 HB THR 20 HB THR 20 5.320 -1.668 -9.744 150 HG1 THR 20 HG1 THR 20 4.506 0.008 -11.449 151 HG21 THR 20 HG21 THR 20 2.339 -1.437 -9.310 152 HG22 THR 20 HG22 THR 20 3.492 -2.233 -8.239 153 HG23 THR 20 HG23 THR 20 3.183 -2.890 -9.846 154 H SER 21 HN SER 21 3.633 1.185 -6.917 155 HA SER 21 HA SER 21 5.010 -0.436 -5.023 156 HB2 SER 21 HB2 SER 21 6.073 2.333 -5.620 157 HB3 SER 21 HB1 SER 21 6.407 1.485 -4.113 158 HG SER 21 HG SER 21 6.890 0.080 -6.469 159 H LEU 22 HN LEU 22 4.426 0.100 -2.870 160 HA LEU 22 HA LEU 22 1.923 1.397 -2.566 161 HB2 LEU 22 HB2 LEU 22 3.944 0.469 -0.521 162 HB3 LEU 22 HB1 LEU 22 2.362 1.092 -0.113 163 HG LEU 22 HG LEU 22 2.155 -1.234 0.040 164 HD11 LEU 22 HD11 LEU 22 1.169 -0.526 -2.713 165 HD12 LEU 22 HD12 LEU 22 0.340 -0.158 -1.202 166 HD13 LEU 22 HD13 LEU 22 0.583 -1.837 -1.689 167 HD21 LEU 22 HD21 LEU 22 3.522 -1.477 -2.636 168 HD22 LEU 22 HD22 LEU 22 2.888 -2.808 -1.670 169 HD23 LEU 22 HD23 LEU 22 4.240 -1.847 -1.069 170 H ASN 23 HN ASN 23 1.694 3.537 -2.684 171 HA ASN 23 HA ASN 23 3.894 5.316 -2.182 172 HB2 ASN 23 HB2 ASN 23 2.161 5.730 -3.948 173 HB3 ASN 23 HB1 ASN 23 0.997 6.038 -2.665 174 HD21 ASN 23 HD21 ASN 23 1.030 7.965 -1.603 175 HD22 ASN 23 HD22 ASN 23 2.064 9.283 -2.037 176 H VAL 24 HN VAL 24 4.228 4.578 0.000 177 HA VAL 24 HA VAL 24 2.273 5.520 1.970 178 HB VAL 24 HB VAL 24 4.793 3.967 2.550 179 HG11 VAL 24 HG11 VAL 24 3.584 3.281 4.560 180 HG12 VAL 24 HG12 VAL 24 2.187 4.234 4.050 181 HG13 VAL 24 HG13 VAL 24 3.705 5.038 4.455 182 HG21 VAL 24 HG21 VAL 24 3.453 1.918 2.501 183 HG22 VAL 24 HG22 VAL 24 3.521 2.690 0.916 184 HG23 VAL 24 HG23 VAL 24 2.069 2.838 1.907 185 H LYS 25 HN LYS 25 2.632 7.317 3.113 186 HA LYS 25 HA LYS 25 5.237 8.612 2.807 187 HB2 LYS 25 HB2 LYS 25 4.033 10.685 3.515 188 HB3 LYS 25 HB1 LYS 25 3.462 9.986 2.008 189 HG2 LYS 25 HG2 LYS 25 1.529 9.068 3.113 190 HG3 LYS 25 HG1 LYS 25 2.128 9.619 4.681 191 HD2 LYS 25 HD2 LYS 25 1.997 11.938 3.917 192 HD3 LYS 25 HD1 LYS 25 1.406 11.391 2.346 193 HE2 LYS 25 HE2 LYS 25 -0.584 10.487 3.374 194 HE3 LYS 25 HE1 LYS 25 0.023 10.901 4.978 195 HZ1 LYS 25 HZ1 LYS 25 -1.574 12.527 4.198 196 HZ2 LYS 25 HZ2 LYS 25 -0.636 12.842 2.825 197 HZ3 LYS 25 HZ3 LYS 25 -0.049 13.234 4.363 198 H ALA 26 HN ALA 26 5.565 6.716 4.484 199 HA ALA 26 HA ALA 26 6.290 6.144 6.548 200 HB1 ALA 26 HB1 ALA 26 7.171 7.899 7.982 201 HB2 ALA 26 HB2 ALA 26 6.333 9.119 7.022 202 HB3 ALA 26 HB3 ALA 26 7.629 8.165 6.299 203 H GLY 27 HN GLY 27 3.573 5.928 6.236 204 HA2 GLY 27 HA2 GLY 27 2.391 5.129 8.341 205 HA3 GLY 27 HA1 GLY 27 2.521 6.808 8.843 206 H ASP 28 HN ASP 28 1.103 4.650 6.445 207 HA ASP 28 HA ASP 28 -1.151 6.487 6.223 208 HB2 ASP 28 HB2 ASP 28 0.658 6.844 4.369 209 HB3 ASP 28 HB1 ASP 28 -0.007 5.367 3.684 210 H ILE 29 HN ILE 29 -2.674 5.275 4.382 211 HA ILE 29 HA ILE 29 -3.245 2.734 5.759 212 HB ILE 29 HB ILE 29 -5.086 4.617 4.276 213 HG12 ILE 29 HG12 ILE 29 -4.406 5.502 6.437 214 HG13 ILE 29 HG11 ILE 29 -6.092 5.003 6.496 215 HG21 ILE 29 HG21 ILE 29 -5.795 2.313 3.989 216 HG22 ILE 29 HG22 ILE 29 -6.913 3.189 5.035 217 HG23 ILE 29 HG23 ILE 29 -5.746 2.066 5.735 218 HD11 ILE 29 HD11 ILE 29 -4.951 4.377 8.527 219 HD12 ILE 29 HD12 ILE 29 -3.743 3.486 7.603 220 HD13 ILE 29 HD13 ILE 29 -5.416 2.932 7.627 221 H ILE 30 HN ILE 30 -2.751 0.978 4.625 222 HA ILE 30 HA ILE 30 -2.917 1.118 1.688 223 HB ILE 30 HB ILE 30 -1.474 -1.003 3.260 224 HG12 ILE 30 HG12 ILE 30 -0.305 1.539 2.113 225 HG13 ILE 30 HG11 ILE 30 -0.550 1.225 3.828 226 HG21 ILE 30 HG21 ILE 30 -1.201 -0.045 0.416 227 HG22 ILE 30 HG22 ILE 30 -2.030 -1.513 0.930 228 HG23 ILE 30 HG23 ILE 30 -0.288 -1.355 1.160 229 HD11 ILE 30 HD11 ILE 30 1.267 -0.300 1.984 230 HD12 ILE 30 HD12 ILE 30 1.000 -0.666 3.688 231 HD13 ILE 30 HD13 ILE 30 1.754 0.860 3.220 232 H THR 31 HN THR 31 -4.399 -0.056 0.683 233 HA THR 31 HA THR 31 -5.881 -2.083 2.219 234 HB THR 31 HB THR 31 -6.701 -0.858 -0.419 235 HG1 THR 31 HG1 THR 31 -6.430 0.442 1.820 236 HG21 THR 31 HG21 THR 31 -8.280 -2.196 1.785 237 HG22 THR 31 HG22 THR 31 -7.841 -2.935 0.245 238 HG23 THR 31 HG23 THR 31 -8.941 -1.557 0.279 239 H VAL 32 HN VAL 32 -5.033 -4.057 1.893 240 HA VAL 32 HA VAL 32 -3.826 -4.596 -0.737 241 HB VAL 32 HB VAL 32 -2.240 -6.050 0.311 242 HG11 VAL 32 HG11 VAL 32 -2.507 -3.496 1.883 243 HG12 VAL 32 HG12 VAL 32 -1.647 -3.708 0.359 244 HG13 VAL 32 HG13 VAL 32 -1.061 -4.500 1.819 245 HG21 VAL 32 HG21 VAL 32 -2.184 -6.468 2.712 246 HG22 VAL 32 HG22 VAL 32 -3.696 -7.040 2.005 247 HG23 VAL 32 HG23 VAL 32 -3.661 -5.530 2.917 248 H LEU 33 HN LEU 33 -3.947 -6.751 -1.540 249 HA LEU 33 HA LEU 33 -6.052 -8.366 -0.300 250 HB2 LEU 33 HB2 LEU 33 -6.465 -9.328 -2.620 251 HB3 LEU 33 HB1 LEU 33 -7.095 -7.738 -2.281 252 HG LEU 33 HG LEU 33 -6.205 -8.016 -4.574 253 HD11 LEU 33 HD11 LEU 33 -4.951 -5.928 -4.661 254 HD12 LEU 33 HD12 LEU 33 -4.768 -5.966 -2.909 255 HD13 LEU 33 HD13 LEU 33 -6.373 -5.802 -3.623 256 HD21 LEU 33 HD21 LEU 33 -4.351 -9.505 -4.135 257 HD22 LEU 33 HD22 LEU 33 -3.527 -8.242 -3.220 258 HD23 LEU 33 HD23 LEU 33 -3.795 -8.044 -4.952 259 H GLU 34 HN GLU 34 -5.817 -10.719 -0.726 260 HA GLU 34 HA GLU 34 -2.966 -11.331 -0.390 261 HB2 GLU 34 HB2 GLU 34 -4.391 -11.826 1.549 262 HB3 GLU 34 HB1 GLU 34 -5.394 -12.870 0.550 263 HG2 GLU 34 HG2 GLU 34 -3.415 -14.301 0.142 264 HG3 GLU 34 HG1 GLU 34 -2.504 -13.295 1.268 265 H GLN 35 HN GLN 35 -2.031 -12.229 -2.069 266 HA GLN 35 HA GLN 35 -3.640 -13.882 -3.883 267 HB2 GLN 35 HB2 GLN 35 -0.941 -12.597 -4.337 268 HB3 GLN 35 HB1 GLN 35 -1.845 -13.527 -5.522 269 HG2 GLN 35 HG2 GLN 35 -3.633 -11.853 -5.453 270 HG3 GLN 35 HG1 GLN 35 -2.697 -10.918 -4.288 271 HE21 GLN 35 HE21 GLN 35 -1.295 -12.648 -6.982 272 HE22 GLN 35 HE22 GLN 35 -0.794 -11.246 -7.862 273 H HIS 36 HN HIS 36 -0.205 -13.791 -3.028 274 HA HIS 36 HA HIS 36 -0.335 -16.677 -2.457 275 HB2 HIS 36 HB2 HIS 36 2.021 -15.234 -3.686 276 HB3 HIS 36 HB1 HIS 36 1.833 -16.968 -3.469 277 HD2 HIS 36 HD2 HIS 36 -0.480 -17.963 -5.081 278 HE1 HIS 36 HE1 HIS 36 0.365 -15.065 -8.047 279 HE2 HIS 36 HE2 HIS 36 -0.745 -17.293 -7.573 280 HA PRO 37 HA PRO 37 1.279 -14.819 1.372 281 HB2 PRO 37 HB2 PRO 37 0.768 -16.963 2.946 282 HB3 PRO 37 HB1 PRO 37 -0.484 -15.801 2.487 283 HG2 PRO 37 HG2 PRO 37 0.118 -18.494 1.328 284 HG3 PRO 37 HG1 PRO 37 -1.452 -17.767 1.711 285 HD2 PRO 37 HD2 PRO 37 -0.432 -17.842 -0.806 286 HD3 PRO 37 HD1 PRO 37 -1.500 -16.543 -0.238 287 H ASP 38 HN ASP 38 3.210 -15.337 -0.238 288 HA ASP 38 HA ASP 38 5.214 -16.726 1.241 289 HB2 ASP 38 HB2 ASP 38 4.170 -18.678 0.217 290 HB3 ASP 38 HB1 ASP 38 4.272 -17.928 -1.372 291 H GLY 39 HN GLY 39 4.266 -15.560 -1.967 292 HA2 GLY 39 HA2 GLY 39 6.979 -14.632 -2.476 293 HA3 GLY 39 HA1 GLY 39 5.655 -14.659 -3.629 294 H ARG 40 HN ARG 40 3.944 -13.045 -3.355 295 HA ARG 40 HA ARG 40 4.362 -10.795 -1.655 296 HB2 ARG 40 HB2 ARG 40 4.765 -9.147 -3.467 297 HB3 ARG 40 HB1 ARG 40 6.104 -10.263 -3.238 298 HG2 ARG 40 HG2 ARG 40 5.375 -11.554 -5.171 299 HG3 ARG 40 HG1 ARG 40 4.010 -10.456 -5.392 300 HD2 ARG 40 HD2 ARG 40 5.909 -9.963 -6.896 301 HD3 ARG 40 HD1 ARG 40 5.496 -8.618 -5.836 302 HE ARG 40 HE ARG 40 7.537 -10.257 -4.708 303 HH11 ARG 40 HH11 ARG 40 6.990 -7.750 -7.101 304 HH12 ARG 40 HH12 ARG 40 8.601 -7.116 -6.978 305 HH21 ARG 40 HH21 ARG 40 9.646 -9.422 -4.555 306 HH22 ARG 40 HH22 ARG 40 10.109 -8.068 -5.540 307 H TRP 41 HN TRP 41 2.734 -9.201 -1.863 308 HA TRP 41 HA TRP 41 0.403 -10.012 -3.488 309 HB2 TRP 41 HB2 TRP 41 0.301 -8.458 -0.895 310 HB3 TRP 41 HB1 TRP 41 -1.057 -9.119 -1.792 311 HD1 TRP 41 HD1 TRP 41 0.559 -12.066 -2.078 312 HE1 TRP 41 HE1 TRP 41 0.433 -13.607 -0.022 313 HE3 TRP 41 HE3 TRP 41 -0.732 -8.604 1.445 314 HZ2 TRP 41 HZ2 TRP 41 -0.152 -13.381 2.737 315 HZ3 TRP 41 HZ3 TRP 41 -1.063 -9.341 3.762 316 HH2 TRP 41 HH2 TRP 41 -0.781 -11.681 4.397 317 H LYS 42 HN LYS 42 -0.985 -8.108 -4.092 318 HA LYS 42 HA LYS 42 0.623 -5.656 -4.263 319 HB2 LYS 42 HB2 LYS 42 -0.716 -4.984 -6.190 320 HB3 LYS 42 HB1 LYS 42 0.068 -6.528 -6.479 321 HG2 LYS 42 HG2 LYS 42 -1.991 -7.706 -6.149 322 HG3 LYS 42 HG1 LYS 42 -2.805 -6.225 -5.640 323 HD2 LYS 42 HD2 LYS 42 -2.531 -5.266 -7.841 324 HD3 LYS 42 HD1 LYS 42 -1.586 -6.659 -8.365 325 HE2 LYS 42 HE2 LYS 42 -4.439 -6.842 -7.426 326 HE3 LYS 42 HE1 LYS 42 -3.987 -6.631 -9.117 327 HZ1 LYS 42 HZ1 LYS 42 -4.401 -8.959 -8.517 328 HZ2 LYS 42 HZ2 LYS 42 -3.126 -8.902 -7.404 329 HZ3 LYS 42 HZ3 LYS 42 -2.815 -8.713 -9.055 330 H GLY 43 HN GLY 43 -0.285 -3.722 -3.672 331 HA2 GLY 43 HA2 GLY 43 -2.986 -3.820 -2.531 332 HA3 GLY 43 HA1 GLY 43 -1.651 -3.301 -1.510 333 H CYS 44 HN CYS 44 -3.826 -1.702 -2.003 334 HA CYS 44 HA CYS 44 -2.691 0.373 -3.763 335 HB2 CYS 44 HB2 CYS 44 -4.904 -0.552 -4.485 336 HB3 CYS 44 HB1 CYS 44 -5.586 0.002 -2.961 337 HG CYS 44 HG CYS 44 -6.451 2.106 -4.182 338 H ILE 45 HN ILE 45 -3.132 2.589 -3.025 339 HA ILE 45 HA ILE 45 -2.938 2.752 -0.102 340 HB ILE 45 HB ILE 45 -2.221 4.830 -2.184 341 HG12 ILE 45 HG12 ILE 45 -0.731 2.897 -2.315 342 HG13 ILE 45 HG11 ILE 45 0.119 4.288 -1.649 343 HG21 ILE 45 HG21 ILE 45 -1.092 5.986 -0.341 344 HG22 ILE 45 HG22 ILE 45 -1.690 4.765 0.783 345 HG23 ILE 45 HG23 ILE 45 -2.827 5.827 -0.050 346 HD11 ILE 45 HD11 ILE 45 -0.154 3.367 0.601 347 HD12 ILE 45 HD12 ILE 45 0.709 2.260 -0.467 348 HD13 ILE 45 HD13 ILE 45 -0.987 1.969 -0.079 349 H HIS 46 HN HIS 46 -4.367 3.976 1.067 350 HA HIS 46 HA HIS 46 -6.757 4.795 -0.437 351 HB2 HIS 46 HB2 HIS 46 -7.013 3.046 1.341 352 HB3 HIS 46 HB1 HIS 46 -6.504 4.241 2.530 353 HD2 HIS 46 HD2 HIS 46 -8.367 6.310 3.022 354 HE1 HIS 46 HE1 HIS 46 -11.538 4.301 1.074 355 HE2 HIS 46 HE2 HIS 46 -10.939 6.107 2.744 356 H ASP 47 HN ASP 47 -6.719 6.854 -0.908 357 HA ASP 47 HA ASP 47 -5.243 8.821 0.461 358 HB2 ASP 47 HB2 ASP 47 -5.903 9.032 -1.906 359 HB3 ASP 47 HB1 ASP 47 -7.586 9.181 -1.413 360 H ASN 48 HN ASN 48 -5.661 9.397 2.475 361 HA ASN 48 HA ASN 48 -8.404 9.713 3.388 362 HB2 ASN 48 HB2 ASN 48 -5.755 10.063 4.808 363 HB3 ASN 48 HB1 ASN 48 -7.322 10.332 5.567 364 HD21 ASN 48 HD21 ASN 48 -5.082 7.972 4.365 365 HD22 ASN 48 HD22 ASN 48 -5.887 6.587 5.018 366 H ARG 49 HN ARG 49 -5.455 11.626 3.022 367 HA ARG 49 HA ARG 49 -7.128 13.974 2.471 368 HB2 ARG 49 HB2 ARG 49 -4.601 13.977 4.136 369 HB3 ARG 49 HB1 ARG 49 -5.524 15.398 3.674 370 HG2 ARG 49 HG2 ARG 49 -7.432 14.568 4.972 371 HG3 ARG 49 HG1 ARG 49 -6.480 13.162 5.451 372 HD2 ARG 49 HD2 ARG 49 -6.432 14.797 7.223 373 HD3 ARG 49 HD1 ARG 49 -4.832 14.683 6.492 374 HE ARG 49 HE ARG 49 -6.565 16.779 5.470 375 HH11 ARG 49 HH11 ARG 49 -3.969 15.912 7.652 376 HH12 ARG 49 HH12 ARG 49 -3.409 17.543 7.826 377 HH21 ARG 49 HH21 ARG 49 -5.840 18.917 5.710 378 HH22 ARG 49 HH22 ARG 49 -4.477 19.257 6.728 379 H THR 50 HN THR 50 -3.763 12.827 2.454 380 HA THR 50 HA THR 50 -3.522 13.612 -0.353 381 HB THR 50 HB THR 50 -1.184 14.482 0.224 382 HG1 THR 50 HG1 THR 50 -1.737 15.398 2.633 383 HG21 THR 50 HG21 THR 50 -3.599 16.013 1.198 384 HG22 THR 50 HG22 THR 50 -2.988 15.975 -0.457 385 HG23 THR 50 HG23 THR 50 -2.027 16.719 0.824 386 H GLY 51 HN GLY 51 -3.838 11.160 -0.202 387 HA2 GLY 51 HA2 GLY 51 -1.193 9.868 0.137 388 HA3 GLY 51 HA1 GLY 51 -2.708 9.053 0.499 389 H ASN 52 HN ASN 52 -4.081 10.189 -1.767 390 HA ASN 52 HA ASN 52 -4.587 9.752 -3.917 391 HB2 ASN 52 HB2 ASN 52 -1.593 9.470 -4.143 392 HB3 ASN 52 HB1 ASN 52 -2.681 9.404 -5.527 393 HD21 ASN 52 HD21 ASN 52 -1.224 11.406 -3.122 394 HD22 ASN 52 HD22 ASN 52 -1.729 12.924 -3.777 395 H ASP 53 HN ASP 53 -4.257 8.023 -5.730 396 HA ASP 53 HA ASP 53 -4.519 5.422 -4.385 397 HB2 ASP 53 HB2 ASP 53 -5.541 6.350 -7.080 398 HB3 ASP 53 HB1 ASP 53 -5.759 4.733 -6.425 399 H ARG 54 HN ARG 54 -2.614 4.353 -4.475 400 HA ARG 54 HA ARG 54 -1.495 3.955 -7.150 401 HB2 ARG 54 HB2 ARG 54 -0.151 5.634 -5.690 402 HB3 ARG 54 HB1 ARG 54 0.343 4.208 -4.788 403 HG2 ARG 54 HG2 ARG 54 2.040 4.643 -6.381 404 HG3 ARG 54 HG1 ARG 54 1.147 3.232 -6.957 405 HD2 ARG 54 HD2 ARG 54 -0.237 4.883 -8.327 406 HD3 ARG 54 HD1 ARG 54 1.010 6.067 -7.948 407 HE ARG 54 HE ARG 54 2.141 3.695 -9.036 408 HH11 ARG 54 HH11 ARG 54 0.445 6.631 -9.893 409 HH12 ARG 54 HH12 ARG 54 1.000 6.623 -11.536 410 HH21 ARG 54 HH21 ARG 54 2.854 3.673 -11.215 411 HH22 ARG 54 HH22 ARG 54 2.360 4.947 -12.288 412 H VAL 55 HN VAL 55 -0.899 1.882 -7.583 413 HA VAL 55 HA VAL 55 -1.288 -0.055 -5.413 414 HB VAL 55 HB VAL 55 -2.736 -0.363 -7.385 415 HG11 VAL 55 HG11 VAL 55 -0.165 -0.823 -8.885 416 HG12 VAL 55 HG12 VAL 55 -1.290 0.513 -9.116 417 HG13 VAL 55 HG13 VAL 55 -1.785 -1.131 -9.511 418 HG21 VAL 55 HG21 VAL 55 -0.694 -2.552 -7.033 419 HG22 VAL 55 HG22 VAL 55 -2.293 -2.744 -7.752 420 HG23 VAL 55 HG23 VAL 55 -2.138 -2.306 -6.050 421 H GLY 56 HN GLY 56 0.268 -1.509 -4.873 422 HA2 GLY 56 HA2 GLY 56 2.691 -1.693 -6.490 423 HA3 GLY 56 HA1 GLY 56 2.888 -1.047 -4.867 424 H TYR 57 HN TYR 57 4.164 -3.387 -5.736 425 HA TYR 57 HA TYR 57 2.656 -5.501 -4.367 426 HB2 TYR 57 HB2 TYR 57 4.952 -5.629 -6.321 427 HB3 TYR 57 HB1 TYR 57 4.409 -7.020 -5.396 428 HD1 TYR 57 HD1 TYR 57 2.815 -8.419 -6.328 429 HD2 TYR 57 HD2 TYR 57 3.070 -4.398 -7.691 430 HE1 TYR 57 HE1 TYR 57 1.128 -8.902 -8.046 431 HE2 TYR 57 HE2 TYR 57 1.384 -4.871 -9.417 432 HH TYR 57 HH TYR 57 -0.451 -7.786 -9.442 433 H PHE 58 HN PHE 58 3.504 -6.597 -2.665 434 HA PHE 58 HA PHE 58 6.163 -5.902 -1.693 435 HB2 PHE 58 HB2 PHE 58 5.379 -5.267 0.522 436 HB3 PHE 58 HB1 PHE 58 4.632 -4.227 -0.682 437 HD1 PHE 58 HD1 PHE 58 2.265 -5.112 -1.542 438 HD2 PHE 58 HD2 PHE 58 4.058 -6.113 2.185 439 HE1 PHE 58 HE1 PHE 58 0.051 -5.670 -0.630 440 HE2 PHE 58 HE2 PHE 58 1.847 -6.671 3.103 441 HZ PHE 58 HZ PHE 58 -0.159 -6.455 1.694 442 HA PRO 59 HA PRO 59 5.989 -10.206 -0.619 443 HB2 PRO 59 HB2 PRO 59 8.156 -9.891 1.273 444 HB3 PRO 59 HB1 PRO 59 8.200 -10.584 -0.349 445 HG2 PRO 59 HG2 PRO 59 9.417 -8.233 0.325 446 HG3 PRO 59 HG1 PRO 59 8.849 -8.611 -1.310 447 HD2 PRO 59 HD2 PRO 59 7.556 -6.933 0.808 448 HD3 PRO 59 HD1 PRO 59 7.676 -6.649 -0.941 449 H SER 60 HN SER 60 4.231 -8.498 0.904 450 HA SER 60 HA SER 60 2.920 -8.511 2.743 451 HB2 SER 60 HB2 SER 60 2.873 -10.962 2.331 452 HB3 SER 60 HB1 SER 60 4.263 -11.143 3.395 453 HG SER 60 HG SER 60 2.290 -11.539 4.477 454 H SER 61 HN SER 61 3.032 -8.646 5.249 455 HA SER 61 HA SER 61 3.888 -7.839 7.189 456 HB2 SER 61 HB2 SER 61 6.556 -8.770 6.107 457 HB3 SER 61 HB1 SER 61 6.120 -8.535 7.800 458 HG SER 61 HG SER 61 4.312 -10.156 6.854 459 H LEU 62 HN LEU 62 3.377 -5.840 5.573 460 HA LEU 62 HA LEU 62 5.762 -4.125 5.545 461 HB2 LEU 62 HB2 LEU 62 4.579 -4.465 3.392 462 HB3 LEU 62 HB1 LEU 62 3.139 -3.759 4.101 463 HG LEU 62 HG LEU 62 4.358 -1.626 4.400 464 HD11 LEU 62 HD11 LEU 62 6.623 -2.485 4.558 465 HD12 LEU 62 HD12 LEU 62 6.501 -1.314 3.244 466 HD13 LEU 62 HD13 LEU 62 6.547 -3.040 2.885 467 HD21 LEU 62 HD21 LEU 62 2.981 -1.976 2.427 468 HD22 LEU 62 HD22 LEU 62 4.346 -2.714 1.589 469 HD23 LEU 62 HD23 LEU 62 4.401 -1.007 2.031 470 H GLY 63 HN GLY 63 2.386 -4.298 6.519 471 HA2 GLY 63 HA2 GLY 63 2.924 -2.262 8.554 472 HA3 GLY 63 HA1 GLY 63 1.568 -2.017 7.464 473 H GLU 64 HN GLU 64 0.904 -2.041 10.001 474 HA GLU 64 HA GLU 64 0.353 -4.680 10.987 475 HB2 GLU 64 HB2 GLU 64 -0.887 -3.482 12.784 476 HB3 GLU 64 HB1 GLU 64 0.778 -2.953 12.602 477 HG2 GLU 64 HG2 GLU 64 -0.014 -1.001 11.320 478 HG3 GLU 64 HG1 GLU 64 -1.673 -1.522 11.607 479 H ALA 65 HN ALA 65 -1.309 -5.906 10.482 480 HA ALA 65 HA ALA 65 -3.314 -4.902 8.673 481 HB1 ALA 65 HB1 ALA 65 -2.987 -7.661 9.844 482 HB2 ALA 65 HB2 ALA 65 -2.293 -7.102 8.323 483 HB3 ALA 65 HB3 ALA 65 -4.045 -7.214 8.507 484 H ILE 66 HN ILE 66 -4.799 -3.646 9.634 485 HA ILE 66 HA ILE 66 -6.058 -4.550 12.099 486 HB ILE 66 HB ILE 66 -7.339 -2.428 12.007 487 HG12 ILE 66 HG12 ILE 66 -6.234 -0.691 10.364 488 HG13 ILE 66 HG11 ILE 66 -5.868 -2.123 9.410 489 HG21 ILE 66 HG21 ILE 66 -4.345 -2.159 11.795 490 HG22 ILE 66 HG22 ILE 66 -5.270 -2.541 13.248 491 HG23 ILE 66 HG23 ILE 66 -5.430 -0.954 12.491 492 HD11 ILE 66 HD11 ILE 66 -8.242 -2.667 9.319 493 HD12 ILE 66 HD12 ILE 66 -7.917 -1.062 8.665 494 HD13 ILE 66 HD13 ILE 66 -8.609 -1.235 10.279 495 H VAL 67 HN VAL 67 -6.360 -5.075 8.881 496 HA VAL 67 HA VAL 67 -7.862 -6.093 7.541 497 HB VAL 67 HB VAL 67 -9.142 -7.020 10.112 498 HG11 VAL 67 HG11 VAL 67 -10.512 -7.430 8.133 499 HG12 VAL 67 HG12 VAL 67 -9.873 -8.939 8.784 500 HG13 VAL 67 HG13 VAL 67 -9.147 -8.223 7.345 501 HG21 VAL 67 HG21 VAL 67 -6.881 -8.241 8.532 502 HG22 VAL 67 HG22 VAL 67 -7.680 -8.981 9.917 503 HG23 VAL 67 HG23 VAL 67 -6.754 -7.496 10.126 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 -7.972 -13.819 9.365 2 H2 GLY 1 HT2 GLY 1 -8.252 -12.921 10.770 3 H3 GLY 1 HT3 GLY 1 -6.683 -13.058 10.153 4 HA2 GLY 1 HA1 GLY 1 -8.947 -11.696 8.814 5 HA3 GLY 1 HA2 GLY 1 -7.633 -10.893 9.661 6 H SER 2 HN SER 2 -8.001 -13.437 7.190 7 HA SER 2 HA SER 2 -5.742 -12.208 5.764 8 HB2 SER 2 HB2 SER 2 -5.479 -14.478 4.718 9 HB3 SER 2 HB1 SER 2 -5.203 -14.449 6.459 10 HG SER 2 HG SER 2 -6.964 -15.599 6.781 11 H HIS 3 HN HIS 3 -5.835 -12.682 3.332 12 HA HIS 3 HA HIS 3 -6.772 -12.144 1.345 13 HB2 HIS 3 HB2 HIS 3 -9.116 -13.603 2.563 14 HB3 HIS 3 HB1 HIS 3 -9.061 -13.080 0.883 15 HD2 HIS 3 HD2 HIS 3 -7.417 -15.722 3.228 16 HE1 HIS 3 HE1 HIS 3 -6.416 -16.604 -0.787 17 HE2 HIS 3 HE2 HIS 3 -6.491 -17.498 1.583 18 H MET 4 HN MET 4 -6.851 -10.028 1.144 19 HA MET 4 HA MET 4 -7.630 -7.911 1.007 20 HB2 MET 4 HB2 MET 4 -10.289 -9.234 1.549 21 HB3 MET 4 HB1 MET 4 -10.107 -7.525 1.184 22 HG2 MET 4 HG2 MET 4 -9.141 -8.087 -0.982 23 HG3 MET 4 HG1 MET 4 -9.315 -9.802 -0.616 24 HE1 MET 4 HE1 MET 4 -10.468 -8.359 -3.253 25 HE2 MET 4 HE2 MET 4 -12.032 -9.164 -3.377 26 HE3 MET 4 HE3 MET 4 -10.598 -10.087 -2.931 27 H LEU 5 HN LEU 5 -6.588 -6.968 2.634 28 HA LEU 5 HA LEU 5 -8.049 -6.575 5.121 29 HB2 LEU 5 HB2 LEU 5 -5.967 -6.996 6.447 30 HB3 LEU 5 HB1 LEU 5 -6.696 -8.428 5.750 31 HG LEU 5 HG LEU 5 -4.463 -7.083 4.281 32 HD11 LEU 5 HD11 LEU 5 -2.843 -8.444 5.523 33 HD12 LEU 5 HD12 LEU 5 -4.123 -8.938 6.634 34 HD13 LEU 5 HD13 LEU 5 -3.627 -7.245 6.553 35 HD21 LEU 5 HD21 LEU 5 -5.645 -8.935 3.221 36 HD22 LEU 5 HD22 LEU 5 -5.315 -9.958 4.617 37 HD23 LEU 5 HD23 LEU 5 -3.986 -9.392 3.607 38 H GLN 6 HN GLN 6 -7.304 -4.762 6.329 39 HA GLN 6 HA GLN 6 -5.920 -2.795 4.656 40 HB2 GLN 6 HB2 GLN 6 -8.134 -2.119 5.349 41 HB3 GLN 6 HB1 GLN 6 -7.768 -2.488 7.026 42 HG2 GLN 6 HG2 GLN 6 -6.149 -0.678 7.083 43 HG3 GLN 6 HG1 GLN 6 -6.478 -0.320 5.388 44 HE21 GLN 6 HE21 GLN 6 -6.808 1.351 7.796 45 HE22 GLN 6 HE22 GLN 6 -8.466 1.834 7.800 46 H VAL 7 HN VAL 7 -3.952 -2.154 5.177 47 HA VAL 7 HA VAL 7 -2.986 -2.728 7.897 48 HB VAL 7 HB VAL 7 -0.735 -3.014 7.008 49 HG11 VAL 7 HG11 VAL 7 -1.096 -5.108 5.696 50 HG12 VAL 7 HG12 VAL 7 -2.819 -4.730 5.670 51 HG13 VAL 7 HG13 VAL 7 -2.002 -5.023 7.203 52 HG21 VAL 7 HG21 VAL 7 -1.980 -2.627 4.290 53 HG22 VAL 7 HG22 VAL 7 -0.323 -3.149 4.593 54 HG23 VAL 7 HG23 VAL 7 -0.843 -1.538 5.089 55 H ARG 8 HN ARG 8 -1.830 -1.163 8.934 56 HA ARG 8 HA ARG 8 -1.696 1.466 7.620 57 HB2 ARG 8 HB2 ARG 8 -1.546 0.710 10.545 58 HB3 ARG 8 HB1 ARG 8 -1.283 2.334 9.934 59 HG2 ARG 8 HG2 ARG 8 -3.586 2.343 9.056 60 HG3 ARG 8 HG1 ARG 8 -3.836 0.747 9.770 61 HD2 ARG 8 HD2 ARG 8 -4.693 2.572 11.196 62 HD3 ARG 8 HD1 ARG 8 -3.426 1.631 11.982 63 HE ARG 8 HE ARG 8 -3.032 4.304 10.788 64 HH11 ARG 8 HH11 ARG 8 -2.171 1.838 13.133 65 HH12 ARG 8 HH12 ARG 8 -1.022 2.849 13.948 66 HH21 ARG 8 HH21 ARG 8 -1.496 5.613 11.853 67 HH22 ARG 8 HH22 ARG 8 -0.641 4.985 13.228 68 H ALA 9 HN ALA 9 0.246 2.173 6.984 69 HA ALA 9 HA ALA 9 2.593 0.812 8.126 70 HB1 ALA 9 HB1 ALA 9 2.237 1.664 5.261 71 HB2 ALA 9 HB2 ALA 9 2.132 0.010 5.861 72 HB3 ALA 9 HB3 ALA 9 3.662 0.884 5.949 73 H THR 10 HN THR 10 4.205 2.056 8.824 74 HA THR 10 HA THR 10 4.163 4.891 8.046 75 HB THR 10 HB THR 10 5.618 5.212 10.106 76 HG1 THR 10 HG1 THR 10 6.058 2.867 10.269 77 HG21 THR 10 HG21 THR 10 2.812 4.171 10.524 78 HG22 THR 10 HG22 THR 10 3.253 5.827 10.106 79 HG23 THR 10 HG23 THR 10 3.720 5.157 11.670 80 H LYS 11 HN LYS 11 5.416 4.925 6.269 81 HA LYS 11 HA LYS 11 8.222 4.501 6.460 82 HB2 LYS 11 HB2 LYS 11 7.359 2.148 6.207 83 HB3 LYS 11 HB1 LYS 11 6.679 2.615 4.657 84 HG2 LYS 11 HG2 LYS 11 9.013 3.226 3.941 85 HG3 LYS 11 HG1 LYS 11 9.582 2.458 5.424 86 HD2 LYS 11 HD2 LYS 11 7.956 1.127 3.259 87 HD3 LYS 11 HD1 LYS 11 9.692 0.932 3.510 88 HE2 LYS 11 HE2 LYS 11 7.545 0.191 5.496 89 HE3 LYS 11 HE1 LYS 11 8.376 -0.941 4.431 90 HZ1 LYS 11 HZ1 LYS 11 10.449 -0.417 5.519 91 HZ2 LYS 11 HZ2 LYS 11 9.314 -0.909 6.669 92 HZ3 LYS 11 HZ3 LYS 11 9.694 0.728 6.506 93 H ASP 12 HN ASP 12 9.297 5.231 4.508 94 HA ASP 12 HA ASP 12 7.521 6.585 2.602 95 HB2 ASP 12 HB2 ASP 12 10.446 6.931 3.246 96 HB3 ASP 12 HB1 ASP 12 9.752 7.565 1.755 97 H TYR 13 HN TYR 13 6.891 5.092 1.177 98 HA TYR 13 HA TYR 13 8.937 3.321 0.017 99 HB2 TYR 13 HB2 TYR 13 6.890 2.404 1.357 100 HB3 TYR 13 HB1 TYR 13 5.987 2.780 -0.103 101 HD1 TYR 13 HD1 TYR 13 8.678 0.706 1.306 102 HD2 TYR 13 HD2 TYR 13 6.154 1.390 -2.047 103 HE1 TYR 13 HE1 TYR 13 9.334 -1.473 0.377 104 HE2 TYR 13 HE2 TYR 13 6.806 -0.789 -2.990 105 HH TYR 13 HH TYR 13 8.452 -3.150 -1.180 106 H CYS 14 HN CYS 14 8.743 2.862 -2.250 107 HA CYS 14 HA CYS 14 8.474 3.356 -4.439 108 HB2 CYS 14 HB2 CYS 14 6.062 3.420 -4.057 109 HB3 CYS 14 HB1 CYS 14 6.171 5.089 -3.515 110 HG CYS 14 HG CYS 14 5.746 6.108 -5.818 111 H ASN 15 HN ASN 15 7.461 6.518 -3.207 112 HA ASN 15 HA ASN 15 8.275 8.606 -3.534 113 HB2 ASN 15 HB2 ASN 15 10.920 7.189 -3.160 114 HB3 ASN 15 HB1 ASN 15 10.697 8.933 -3.106 115 HD21 ASN 15 HD21 ASN 15 9.530 9.841 -1.375 116 HD22 ASN 15 HD22 ASN 15 9.334 8.984 0.113 117 H ASN 16 HN ASN 16 7.529 7.609 -5.864 118 HA ASN 16 HA ASN 16 9.508 8.672 -7.738 119 HB2 ASN 16 HB2 ASN 16 8.478 5.878 -7.688 120 HB3 ASN 16 HB1 ASN 16 8.649 6.650 -9.262 121 HD21 ASN 16 HD21 ASN 16 10.349 5.513 -6.421 122 HD22 ASN 16 HD22 ASN 16 11.926 5.534 -7.136 123 H TYR 17 HN TYR 17 8.611 9.271 -9.783 124 HA TYR 17 HA TYR 17 5.940 10.330 -9.522 125 HB2 TYR 17 HB2 TYR 17 7.847 10.506 -11.863 126 HB3 TYR 17 HB1 TYR 17 6.413 11.489 -11.604 127 HD1 TYR 17 HD1 TYR 17 6.375 13.130 -9.716 128 HD2 TYR 17 HD2 TYR 17 9.923 11.085 -10.873 129 HE1 TYR 17 HE1 TYR 17 7.719 14.797 -8.513 130 HE2 TYR 17 HE2 TYR 17 11.277 12.747 -9.668 131 HH TYR 17 HH TYR 17 11.099 15.036 -8.880 132 H ASP 18 HN ASP 18 7.631 7.929 -11.444 133 HA ASP 18 HA ASP 18 5.056 6.694 -12.006 134 HB2 ASP 18 HB2 ASP 18 5.668 6.234 -14.352 135 HB3 ASP 18 HB1 ASP 18 5.507 7.954 -14.030 136 H LEU 19 HN LEU 19 5.249 4.922 -10.893 137 HA LEU 19 HA LEU 19 7.118 2.887 -11.612 138 HB2 LEU 19 HB2 LEU 19 8.497 4.315 -10.093 139 HB3 LEU 19 HB1 LEU 19 7.309 4.070 -8.831 140 HG LEU 19 HG LEU 19 7.807 1.613 -8.938 141 HD11 LEU 19 HD11 LEU 19 8.738 1.563 -11.202 142 HD12 LEU 19 HD12 LEU 19 9.860 0.893 -10.019 143 HD13 LEU 19 HD13 LEU 19 10.113 2.518 -10.653 144 HD21 LEU 19 HD21 LEU 19 10.101 3.455 -8.279 145 HD22 LEU 19 HD22 LEU 19 9.923 1.794 -7.718 146 HD23 LEU 19 HD23 LEU 19 8.767 3.023 -7.210 147 H THR 20 HN THR 20 6.544 0.846 -10.524 148 HA THR 20 HA THR 20 3.834 0.963 -9.401 149 HB THR 20 HB THR 20 5.303 -1.511 -10.336 150 HG1 THR 20 HG1 THR 20 4.445 0.478 -11.848 151 HG21 THR 20 HG21 THR 20 2.379 -0.922 -9.849 152 HG22 THR 20 HG22 THR 20 3.421 -1.938 -8.852 153 HG23 THR 20 HG23 THR 20 3.018 -2.433 -10.496 154 H SER 21 HN SER 21 4.038 1.296 -7.304 155 HA SER 21 HA SER 21 5.185 -0.672 -5.581 156 HB2 SER 21 HB2 SER 21 6.457 2.081 -5.726 157 HB3 SER 21 HB1 SER 21 6.734 0.926 -4.425 158 HG SER 21 HG SER 21 7.122 -0.162 -6.899 159 H LEU 22 HN LEU 22 4.662 -0.173 -3.326 160 HA LEU 22 HA LEU 22 2.153 1.072 -3.010 161 HB2 LEU 22 HB2 LEU 22 4.217 0.215 -0.982 162 HB3 LEU 22 HB1 LEU 22 2.657 0.867 -0.540 163 HG LEU 22 HG LEU 22 2.479 -1.468 -0.321 164 HD11 LEU 22 HD11 LEU 22 1.277 -0.765 -2.987 165 HD12 LEU 22 HD12 LEU 22 0.571 -0.401 -1.413 166 HD13 LEU 22 HD13 LEU 22 0.776 -2.079 -1.924 167 HD21 LEU 22 HD21 LEU 22 3.059 -3.059 -2.070 168 HD22 LEU 22 HD22 LEU 22 4.461 -2.108 -1.579 169 HD23 LEU 22 HD23 LEU 22 3.631 -1.738 -3.090 170 H ASN 23 HN ASN 23 1.774 3.172 -3.074 171 HA ASN 23 HA ASN 23 3.808 5.146 -2.613 172 HB2 ASN 23 HB2 ASN 23 1.905 5.440 -4.223 173 HB3 ASN 23 HB1 ASN 23 0.810 5.533 -2.850 174 HD21 ASN 23 HD21 ASN 23 0.865 7.355 -1.517 175 HD22 ASN 23 HD22 ASN 23 1.599 8.837 -2.032 176 H VAL 24 HN VAL 24 4.386 4.425 -0.456 177 HA VAL 24 HA VAL 24 2.364 4.904 1.607 178 HB VAL 24 HB VAL 24 5.069 3.609 1.953 179 HG11 VAL 24 HG11 VAL 24 2.613 3.594 3.705 180 HG12 VAL 24 HG12 VAL 24 4.098 4.497 4.010 181 HG13 VAL 24 HG13 VAL 24 4.119 2.733 4.027 182 HG21 VAL 24 HG21 VAL 24 3.835 1.469 1.962 183 HG22 VAL 24 HG22 VAL 24 3.801 2.284 0.399 184 HG23 VAL 24 HG23 VAL 24 2.386 2.335 1.449 185 H LYS 25 HN LYS 25 2.471 6.517 2.969 186 HA LYS 25 HA LYS 25 5.054 7.807 3.463 187 HB2 LYS 25 HB2 LYS 25 3.589 9.888 3.996 188 HB3 LYS 25 HB1 LYS 25 3.976 9.520 2.325 189 HG2 LYS 25 HG2 LYS 25 1.761 8.475 2.062 190 HG3 LYS 25 HG1 LYS 25 1.376 8.930 3.726 191 HD2 LYS 25 HD2 LYS 25 1.477 11.239 3.220 192 HD3 LYS 25 HD1 LYS 25 2.243 10.939 1.661 193 HE2 LYS 25 HE2 LYS 25 -0.078 11.553 1.351 194 HE3 LYS 25 HE1 LYS 25 0.181 9.882 0.862 195 HZ1 LYS 25 HZ1 LYS 25 -1.866 10.375 2.222 196 HZ2 LYS 25 HZ2 LYS 25 -0.830 10.579 3.551 197 HZ3 LYS 25 HZ3 LYS 25 -0.901 9.084 2.748 198 H ALA 26 HN ALA 26 5.313 8.573 5.628 199 HA ALA 26 HA ALA 26 4.749 6.605 7.469 200 HB1 ALA 26 HB1 ALA 26 5.654 8.098 9.154 201 HB2 ALA 26 HB2 ALA 26 5.469 9.466 8.058 202 HB3 ALA 26 HB3 ALA 26 6.603 8.172 7.671 203 H GLY 27 HN GLY 27 2.634 6.052 7.758 204 HA2 GLY 27 HA2 GLY 27 0.891 6.217 9.392 205 HA3 GLY 27 HA1 GLY 27 1.064 7.966 9.344 206 H ASP 28 HN ASP 28 0.568 5.439 6.878 207 HA ASP 28 HA ASP 28 -1.877 6.857 6.076 208 HB2 ASP 28 HB2 ASP 28 0.274 7.220 4.610 209 HB3 ASP 28 HB1 ASP 28 -0.134 5.627 3.981 210 H ILE 29 HN ILE 29 -3.094 5.429 4.401 211 HA ILE 29 HA ILE 29 -3.383 2.832 5.757 212 HB ILE 29 HB ILE 29 -5.403 4.401 4.154 213 HG12 ILE 29 HG12 ILE 29 -4.923 5.533 6.235 214 HG13 ILE 29 HG11 ILE 29 -6.501 4.764 6.354 215 HG21 ILE 29 HG21 ILE 29 -7.043 2.798 5.003 216 HG22 ILE 29 HG22 ILE 29 -5.747 1.890 5.783 217 HG23 ILE 29 HG23 ILE 29 -5.805 2.009 4.024 218 HD11 ILE 29 HD11 ILE 29 -5.280 4.488 8.410 219 HD12 ILE 29 HD12 ILE 29 -3.926 3.761 7.542 220 HD13 ILE 29 HD13 ILE 29 -5.478 2.923 7.619 221 H ILE 30 HN ILE 30 -3.025 1.005 4.675 222 HA ILE 30 HA ILE 30 -3.087 1.108 1.726 223 HB ILE 30 HB ILE 30 -1.505 -0.864 3.366 224 HG12 ILE 30 HG12 ILE 30 -0.500 1.644 2.011 225 HG13 ILE 30 HG11 ILE 30 -0.680 1.437 3.750 226 HG21 ILE 30 HG21 ILE 30 -1.432 -0.120 0.447 227 HG22 ILE 30 HG22 ILE 30 -2.060 -1.617 1.133 228 HG23 ILE 30 HG23 ILE 30 -0.338 -1.253 1.235 229 HD11 ILE 30 HD11 ILE 30 0.960 -0.387 3.682 230 HD12 ILE 30 HD12 ILE 30 1.624 1.143 3.106 231 HD13 ILE 30 HD13 ILE 30 1.169 -0.110 1.951 232 H THR 31 HN THR 31 -4.545 -0.173 0.775 233 HA THR 31 HA THR 31 -5.857 -2.230 2.412 234 HB THR 31 HB THR 31 -7.572 -2.177 0.515 235 HG1 THR 31 HG1 THR 31 -6.166 -1.007 -0.939 236 HG21 THR 31 HG21 THR 31 -7.186 0.313 2.183 237 HG22 THR 31 HG22 THR 31 -7.998 -1.165 2.702 238 HG23 THR 31 HG23 THR 31 -8.692 -0.184 1.411 239 H VAL 32 HN VAL 32 -4.871 -4.130 2.160 240 HA VAL 32 HA VAL 32 -3.681 -4.724 -0.463 241 HB VAL 32 HB VAL 32 -2.100 -6.156 0.647 242 HG11 VAL 32 HG11 VAL 32 -1.550 -3.784 0.555 243 HG12 VAL 32 HG12 VAL 32 -0.884 -4.532 2.005 244 HG13 VAL 32 HG13 VAL 32 -2.333 -3.534 2.115 245 HG21 VAL 32 HG21 VAL 32 -3.546 -7.050 2.397 246 HG22 VAL 32 HG22 VAL 32 -3.526 -5.489 3.220 247 HG23 VAL 32 HG23 VAL 32 -2.040 -6.429 3.075 248 H LEU 33 HN LEU 33 -3.584 -7.038 -1.045 249 HA LEU 33 HA LEU 33 -5.729 -8.614 0.141 250 HB2 LEU 33 HB2 LEU 33 -6.313 -9.469 -2.173 251 HB3 LEU 33 HB1 LEU 33 -6.877 -7.876 -1.745 252 HG LEU 33 HG LEU 33 -6.137 -8.104 -4.099 253 HD11 LEU 33 HD11 LEU 33 -6.180 -5.917 -3.076 254 HD12 LEU 33 HD12 LEU 33 -4.834 -6.051 -4.210 255 HD13 LEU 33 HD13 LEU 33 -4.538 -6.145 -2.474 256 HD21 LEU 33 HD21 LEU 33 -4.291 -9.664 -3.763 257 HD22 LEU 33 HD22 LEU 33 -3.370 -8.396 -2.955 258 HD23 LEU 33 HD23 LEU 33 -3.791 -8.231 -4.660 259 H GLU 34 HN GLU 34 -5.584 -10.937 -0.529 260 HA GLU 34 HA GLU 34 -2.745 -11.692 -0.396 261 HB2 GLU 34 HB2 GLU 34 -4.070 -12.112 1.643 262 HB3 GLU 34 HB1 GLU 34 -5.176 -13.107 0.706 263 HG2 GLU 34 HG2 GLU 34 -3.439 -14.713 0.281 264 HG3 GLU 34 HG1 GLU 34 -2.252 -13.688 1.091 265 H GLN 35 HN GLN 35 -1.997 -12.745 -2.110 266 HA GLN 35 HA GLN 35 -3.824 -14.429 -3.661 267 HB2 GLN 35 HB2 GLN 35 -2.094 -12.221 -4.764 268 HB3 GLN 35 HB1 GLN 35 -2.759 -13.501 -5.763 269 HG2 GLN 35 HG2 GLN 35 -4.451 -11.685 -4.077 270 HG3 GLN 35 HG1 GLN 35 -4.032 -11.342 -5.754 271 HE21 GLN 35 HE21 GLN 35 -6.160 -11.409 -6.412 272 HE22 GLN 35 HE22 GLN 35 -7.055 -12.885 -6.536 273 H HIS 36 HN HIS 36 -0.425 -13.336 -3.602 274 HA HIS 36 HA HIS 36 0.362 -16.134 -4.079 275 HB2 HIS 36 HB2 HIS 36 0.714 -14.640 -6.027 276 HB3 HIS 36 HB1 HIS 36 1.736 -13.611 -5.035 277 HD2 HIS 36 HD2 HIS 36 1.848 -17.456 -5.976 278 HE1 HIS 36 HE1 HIS 36 5.712 -15.751 -6.222 279 HE2 HIS 36 HE2 HIS 36 4.313 -17.808 -6.699 280 HA PRO 37 HA PRO 37 2.205 -14.807 -0.037 281 HB2 PRO 37 HB2 PRO 37 1.870 -17.184 1.219 282 HB3 PRO 37 HB1 PRO 37 0.592 -15.967 1.126 283 HG2 PRO 37 HG2 PRO 37 0.986 -18.431 -0.524 284 HG3 PRO 37 HG1 PRO 37 -0.509 -17.776 0.170 285 HD2 PRO 37 HD2 PRO 37 0.174 -17.437 -2.432 286 HD3 PRO 37 HD1 PRO 37 -0.781 -16.248 -1.527 287 H ASP 38 HN ASP 38 2.968 -16.949 -2.474 288 HA ASP 38 HA ASP 38 5.307 -18.125 -1.281 289 HB2 ASP 38 HB2 ASP 38 4.350 -18.004 -4.146 290 HB3 ASP 38 HB1 ASP 38 5.784 -18.876 -3.624 291 H GLY 39 HN GLY 39 4.514 -15.185 -2.865 292 HA2 GLY 39 HA2 GLY 39 7.335 -14.429 -2.837 293 HA3 GLY 39 HA1 GLY 39 6.489 -14.335 -4.373 294 H ARG 40 HN ARG 40 4.437 -12.983 -4.332 295 HA ARG 40 HA ARG 40 4.731 -10.705 -2.526 296 HB2 ARG 40 HB2 ARG 40 4.722 -9.131 -4.465 297 HB3 ARG 40 HB1 ARG 40 6.187 -10.092 -4.321 298 HG2 ARG 40 HG2 ARG 40 5.582 -11.473 -6.132 299 HG3 ARG 40 HG1 ARG 40 3.925 -10.872 -6.131 300 HD2 ARG 40 HD2 ARG 40 5.310 -9.968 -7.973 301 HD3 ARG 40 HD1 ARG 40 4.638 -8.727 -6.920 302 HE ARG 40 HE ARG 40 7.192 -9.353 -5.980 303 HH11 ARG 40 HH11 ARG 40 5.713 -7.955 -8.828 304 HH12 ARG 40 HH12 ARG 40 7.063 -6.923 -9.181 305 HH21 ARG 40 HH21 ARG 40 8.968 -7.992 -6.439 306 HH22 ARG 40 HH22 ARG 40 8.916 -6.942 -7.822 307 H TRP 41 HN TRP 41 2.946 -9.525 -2.200 308 HA TRP 41 HA TRP 41 0.508 -10.243 -3.693 309 HB2 TRP 41 HB2 TRP 41 0.767 -8.785 -1.049 310 HB3 TRP 41 HB1 TRP 41 -0.740 -9.239 -1.832 311 HD1 TRP 41 HD1 TRP 41 0.848 -12.252 -2.452 312 HE1 TRP 41 HE1 TRP 41 0.641 -13.955 -0.535 313 HE3 TRP 41 HE3 TRP 41 -0.483 -9.070 1.308 314 HZ2 TRP 41 HZ2 TRP 41 -0.005 -13.942 2.221 315 HZ3 TRP 41 HZ3 TRP 41 -0.883 -9.983 3.548 316 HH2 TRP 41 HH2 TRP 41 -0.653 -12.373 4.000 317 H LYS 42 HN LYS 42 -0.935 -8.337 -4.136 318 HA LYS 42 HA LYS 42 0.649 -5.889 -4.457 319 HB2 LYS 42 HB2 LYS 42 -0.978 -5.192 -6.179 320 HB3 LYS 42 HB1 LYS 42 -0.129 -6.666 -6.610 321 HG2 LYS 42 HG2 LYS 42 -2.039 -7.998 -6.146 322 HG3 LYS 42 HG1 LYS 42 -2.883 -6.630 -5.413 323 HD2 LYS 42 HD2 LYS 42 -2.995 -5.498 -7.533 324 HD3 LYS 42 HD1 LYS 42 -1.999 -6.739 -8.292 325 HE2 LYS 42 HE2 LYS 42 -4.669 -7.316 -7.032 326 HE3 LYS 42 HE1 LYS 42 -4.482 -6.880 -8.730 327 HZ1 LYS 42 HZ1 LYS 42 -3.082 -8.803 -9.053 328 HZ2 LYS 42 HZ2 LYS 42 -4.569 -9.278 -8.411 329 HZ3 LYS 42 HZ3 LYS 42 -3.200 -9.215 -7.418 330 H GLY 43 HN GLY 43 -0.261 -3.928 -3.832 331 HA2 GLY 43 HA2 GLY 43 -2.714 -4.133 -2.225 332 HA3 GLY 43 HA1 GLY 43 -1.262 -3.432 -1.522 333 H CYS 44 HN CYS 44 -3.858 -2.242 -1.967 334 HA CYS 44 HA CYS 44 -3.191 -0.148 -3.918 335 HB2 CYS 44 HB2 CYS 44 -5.828 -0.701 -2.537 336 HB3 CYS 44 HB1 CYS 44 -5.554 0.421 -3.862 337 HG CYS 44 HG CYS 44 -5.153 -1.464 -5.794 338 H ILE 45 HN ILE 45 -3.279 2.040 -3.262 339 HA ILE 45 HA ILE 45 -2.786 2.364 -0.387 340 HB ILE 45 HB ILE 45 -2.036 4.166 -2.697 341 HG12 ILE 45 HG12 ILE 45 -0.735 2.066 -2.573 342 HG13 ILE 45 HG11 ILE 45 0.255 3.484 -2.242 343 HG21 ILE 45 HG21 ILE 45 -1.375 4.426 0.234 344 HG22 ILE 45 HG22 ILE 45 -2.486 5.452 -0.676 345 HG23 ILE 45 HG23 ILE 45 -0.763 5.458 -1.060 346 HD11 ILE 45 HD11 ILE 45 0.788 1.645 -0.748 347 HD12 ILE 45 HD12 ILE 45 -0.879 1.615 -0.180 348 HD13 ILE 45 HD13 ILE 45 0.135 3.020 0.142 349 H HIS 46 HN HIS 46 -4.199 3.394 0.836 350 HA HIS 46 HA HIS 46 -6.213 5.082 -0.490 351 HB2 HIS 46 HB2 HIS 46 -7.091 3.134 0.808 352 HB3 HIS 46 HB1 HIS 46 -6.334 3.794 2.253 353 HD2 HIS 46 HD2 HIS 46 -8.890 5.306 -0.368 354 HE1 HIS 46 HE1 HIS 46 -10.095 6.247 3.575 355 HE2 HIS 46 HE2 HIS 46 -10.762 6.281 1.132 356 H ASP 47 HN ASP 47 -5.338 7.052 -0.518 357 HA ASP 47 HA ASP 47 -3.677 8.025 1.595 358 HB2 ASP 47 HB2 ASP 47 -3.093 8.826 -0.526 359 HB3 ASP 47 HB1 ASP 47 -4.758 9.207 -0.941 360 H ASN 48 HN ASN 48 -4.299 8.904 3.389 361 HA ASN 48 HA ASN 48 -7.092 9.517 3.827 362 HB2 ASN 48 HB2 ASN 48 -6.526 9.644 6.157 363 HB3 ASN 48 HB1 ASN 48 -5.691 8.254 5.477 364 HD21 ASN 48 HD21 ASN 48 -3.418 8.381 5.127 365 HD22 ASN 48 HD22 ASN 48 -2.465 9.537 6.010 366 H ARG 49 HN ARG 49 -4.596 11.242 2.587 367 HA ARG 49 HA ARG 49 -5.106 13.741 3.966 368 HB2 ARG 49 HB2 ARG 49 -2.837 13.288 3.297 369 HB3 ARG 49 HB1 ARG 49 -3.329 13.031 1.630 370 HG2 ARG 49 HG2 ARG 49 -3.999 15.403 1.501 371 HG3 ARG 49 HG1 ARG 49 -3.390 15.634 3.142 372 HD2 ARG 49 HD2 ARG 49 -1.732 16.343 1.514 373 HD3 ARG 49 HD1 ARG 49 -1.162 14.932 2.405 374 HE ARG 49 HE ARG 49 -2.359 13.944 0.127 375 HH11 ARG 49 HH11 ARG 49 0.294 16.092 0.886 376 HH12 ARG 49 HH12 ARG 49 1.186 15.712 -0.555 377 HH21 ARG 49 HH21 ARG 49 -1.173 13.429 -1.785 378 HH22 ARG 49 HH22 ARG 49 0.355 14.207 -2.063 379 H THR 50 HN THR 50 -5.209 12.776 0.524 380 HA THR 50 HA THR 50 -7.384 14.742 0.174 381 HB THR 50 HB THR 50 -5.251 14.080 -1.864 382 HG1 THR 50 HG1 THR 50 -4.395 16.140 -1.290 383 HG21 THR 50 HG21 THR 50 -6.092 16.087 -2.999 384 HG22 THR 50 HG22 THR 50 -7.321 16.274 -1.751 385 HG23 THR 50 HG23 THR 50 -7.357 14.870 -2.818 386 H GLY 51 HN GLY 51 -5.900 11.760 -1.006 387 HA2 GLY 51 HA2 GLY 51 -7.724 9.982 -1.290 388 HA3 GLY 51 HA1 GLY 51 -8.404 11.131 -2.432 389 H ASN 52 HN ASN 52 -4.972 10.702 -2.076 390 HA ASN 52 HA ASN 52 -4.612 10.016 -4.811 391 HB2 ASN 52 HB2 ASN 52 -2.672 9.792 -2.498 392 HB3 ASN 52 HB1 ASN 52 -2.246 9.710 -4.203 393 HD21 ASN 52 HD21 ASN 52 -4.075 11.811 -5.005 394 HD22 ASN 52 HD22 ASN 52 -3.373 13.295 -4.453 395 H ASP 53 HN ASP 53 -3.911 8.019 -5.702 396 HA ASP 53 HA ASP 53 -4.040 5.681 -3.956 397 HB2 ASP 53 HB2 ASP 53 -5.734 4.570 -5.121 398 HB3 ASP 53 HB1 ASP 53 -6.331 6.221 -5.043 399 H ARG 54 HN ARG 54 -2.919 3.912 -4.700 400 HA ARG 54 HA ARG 54 -1.806 3.748 -7.326 401 HB2 ARG 54 HB2 ARG 54 -0.161 4.796 -5.093 402 HB3 ARG 54 HB1 ARG 54 0.587 3.555 -6.088 403 HG2 ARG 54 HG2 ARG 54 0.238 4.911 -8.075 404 HG3 ARG 54 HG1 ARG 54 -0.572 6.143 -7.104 405 HD2 ARG 54 HD2 ARG 54 1.447 6.583 -5.882 406 HD3 ARG 54 HD1 ARG 54 2.270 5.236 -6.668 407 HE ARG 54 HE ARG 54 1.507 6.852 -8.727 408 HH11 ARG 54 HH11 ARG 54 3.321 7.384 -5.779 409 HH12 ARG 54 HH12 ARG 54 4.367 8.571 -6.489 410 HH21 ARG 54 HH21 ARG 54 2.868 8.440 -9.654 411 HH22 ARG 54 HH22 ARG 54 4.098 9.180 -8.682 412 H VAL 55 HN VAL 55 -1.127 1.669 -7.776 413 HA VAL 55 HA VAL 55 -1.471 -0.259 -5.591 414 HB VAL 55 HB VAL 55 -2.963 -0.622 -7.492 415 HG11 VAL 55 HG11 VAL 55 -2.097 -1.291 -9.684 416 HG12 VAL 55 HG12 VAL 55 -0.456 -0.954 -9.133 417 HG13 VAL 55 HG13 VAL 55 -1.629 0.356 -9.268 418 HG21 VAL 55 HG21 VAL 55 -2.228 -2.569 -6.235 419 HG22 VAL 55 HG22 VAL 55 -0.817 -2.733 -7.280 420 HG23 VAL 55 HG23 VAL 55 -2.434 -2.979 -7.938 421 H GLY 56 HN GLY 56 0.143 -1.609 -4.995 422 HA2 GLY 56 HA2 GLY 56 2.592 -1.681 -6.624 423 HA3 GLY 56 HA1 GLY 56 2.719 -1.105 -4.966 424 H TYR 57 HN TYR 57 4.191 -3.290 -5.748 425 HA TYR 57 HA TYR 57 2.700 -5.581 -4.657 426 HB2 TYR 57 HB2 TYR 57 5.247 -5.573 -6.289 427 HB3 TYR 57 HB1 TYR 57 4.395 -7.001 -5.718 428 HD1 TYR 57 HD1 TYR 57 2.007 -7.369 -6.558 429 HD2 TYR 57 HD2 TYR 57 4.704 -4.612 -8.350 430 HE1 TYR 57 HE1 TYR 57 0.653 -7.385 -8.611 431 HE2 TYR 57 HE2 TYR 57 3.357 -4.622 -10.406 432 HH TYR 57 HH TYR 57 1.763 -6.104 -11.539 433 H PHE 58 HN PHE 58 3.451 -6.677 -2.905 434 HA PHE 58 HA PHE 58 6.025 -5.926 -1.754 435 HB2 PHE 58 HB2 PHE 58 5.106 -5.386 0.420 436 HB3 PHE 58 HB1 PHE 58 4.345 -4.357 -0.785 437 HD1 PHE 58 HD1 PHE 58 2.083 -5.302 -1.755 438 HD2 PHE 58 HD2 PHE 58 3.765 -6.412 1.995 439 HE1 PHE 58 HE1 PHE 58 -0.137 -6.001 -0.970 440 HE2 PHE 58 HE2 PHE 58 1.544 -7.110 2.787 441 HZ PHE 58 HZ PHE 58 -0.384 -6.949 1.332 442 HA PRO 59 HA PRO 59 5.965 -10.262 -0.840 443 HB2 PRO 59 HB2 PRO 59 8.117 -10.416 0.762 444 HB3 PRO 59 HB1 PRO 59 8.260 -10.065 -0.965 445 HG2 PRO 59 HG2 PRO 59 8.364 -8.192 1.363 446 HG3 PRO 59 HG1 PRO 59 9.364 -8.218 -0.098 447 HD2 PRO 59 HD2 PRO 59 7.230 -6.535 0.274 448 HD3 PRO 59 HD1 PRO 59 7.820 -7.053 -1.317 449 H SER 60 HN SER 60 4.140 -8.702 0.718 450 HA SER 60 HA SER 60 2.832 -8.842 2.552 451 HB2 SER 60 HB2 SER 60 2.961 -11.282 2.122 452 HB3 SER 60 HB1 SER 60 4.371 -11.371 3.172 453 HG SER 60 HG SER 60 2.481 -11.921 4.300 454 H SER 61 HN SER 61 2.857 -8.796 4.981 455 HA SER 61 HA SER 61 3.585 -7.850 6.908 456 HB2 SER 61 HB2 SER 61 5.054 -9.886 6.816 457 HB3 SER 61 HB1 SER 61 6.309 -8.885 6.090 458 HG SER 61 HG SER 61 5.184 -8.700 8.679 459 H LEU 62 HN LEU 62 3.158 -5.887 5.373 460 HA LEU 62 HA LEU 62 5.602 -4.270 5.159 461 HB2 LEU 62 HB2 LEU 62 4.321 -4.629 3.073 462 HB3 LEU 62 HB1 LEU 62 2.929 -3.869 3.818 463 HG LEU 62 HG LEU 62 4.233 -1.762 4.019 464 HD11 LEU 62 HD11 LEU 62 6.275 -3.274 2.400 465 HD12 LEU 62 HD12 LEU 62 6.476 -2.679 4.047 466 HD13 LEU 62 HD13 LEU 62 6.300 -1.541 2.714 467 HD21 LEU 62 HD21 LEU 62 4.027 -2.885 1.229 468 HD22 LEU 62 HD22 LEU 62 4.114 -1.176 1.658 469 HD23 LEU 62 HD23 LEU 62 2.716 -2.136 2.142 470 H GLY 63 HN GLY 63 2.214 -4.162 6.178 471 HA2 GLY 63 HA2 GLY 63 2.946 -2.019 8.071 472 HA3 GLY 63 HA1 GLY 63 1.462 -1.933 7.131 473 H GLU 64 HN GLU 64 0.863 -1.740 9.604 474 HA GLU 64 HA GLU 64 0.614 -4.318 10.888 475 HB2 GLU 64 HB2 GLU 64 -0.603 -3.067 12.656 476 HB3 GLU 64 HB1 GLU 64 1.005 -2.439 12.335 477 HG2 GLU 64 HG2 GLU 64 0.091 -0.606 11.077 478 HG3 GLU 64 HG1 GLU 64 -1.536 -1.266 11.239 479 H ALA 65 HN ALA 65 -0.999 -5.676 10.636 480 HA ALA 65 HA ALA 65 -3.112 -4.974 8.795 481 HB1 ALA 65 HB1 ALA 65 -2.535 -7.600 10.160 482 HB2 ALA 65 HB2 ALA 65 -1.927 -7.109 8.578 483 HB3 ALA 65 HB3 ALA 65 -3.658 -7.341 8.826 484 H ILE 66 HN ILE 66 -4.622 -3.722 9.743 485 HA ILE 66 HA ILE 66 -5.779 -4.578 12.282 486 HB ILE 66 HB ILE 66 -7.112 -2.520 12.188 487 HG12 ILE 66 HG12 ILE 66 -5.618 -1.947 9.615 488 HG13 ILE 66 HG11 ILE 66 -7.325 -2.364 9.725 489 HG21 ILE 66 HG21 ILE 66 -5.260 -0.929 12.450 490 HG22 ILE 66 HG22 ILE 66 -4.167 -2.095 11.706 491 HG23 ILE 66 HG23 ILE 66 -4.934 -2.468 13.249 492 HD11 ILE 66 HD11 ILE 66 -7.733 -0.325 11.008 493 HD12 ILE 66 HD12 ILE 66 -7.024 0.020 9.430 494 HD13 ILE 66 HD13 ILE 66 -6.022 0.090 10.881 495 H VAL 67 HN VAL 67 -6.219 -5.055 9.003 496 HA VAL 67 HA VAL 67 -7.682 -6.311 7.824 497 HB VAL 67 HB VAL 67 -9.080 -6.830 10.452 498 HG11 VAL 67 HG11 VAL 67 -9.227 -8.284 7.812 499 HG12 VAL 67 HG12 VAL 67 -10.505 -7.310 8.537 500 HG13 VAL 67 HG13 VAL 67 -9.990 -8.806 9.311 501 HG21 VAL 67 HG21 VAL 67 -6.730 -7.530 10.487 502 HG22 VAL 67 HG22 VAL 67 -6.991 -8.467 9.014 503 HG23 VAL 67 HG23 VAL 67 -7.820 -8.917 10.504 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 -9.256 -13.060 9.311 2 H2 GLY 1 HT2 GLY 1 -10.004 -11.658 8.740 3 H3 GLY 1 HT3 GLY 1 -9.206 -11.641 10.229 4 HA2 GLY 1 HA1 GLY 1 -7.885 -10.551 8.522 5 HA3 GLY 1 HA2 GLY 1 -7.088 -11.982 9.164 6 H SER 2 HN SER 2 -6.242 -11.060 6.797 7 HA SER 2 HA SER 2 -5.676 -11.762 4.724 8 HB2 SER 2 HB2 SER 2 -7.278 -14.205 5.489 9 HB3 SER 2 HB1 SER 2 -6.288 -14.079 4.034 10 HG SER 2 HG SER 2 -4.571 -14.425 5.185 11 H HIS 3 HN HIS 3 -6.491 -12.171 2.545 12 HA HIS 3 HA HIS 3 -7.798 -11.628 0.788 13 HB2 HIS 3 HB2 HIS 3 -9.856 -12.762 2.662 14 HB3 HIS 3 HB1 HIS 3 -10.264 -12.237 1.034 15 HD2 HIS 3 HD2 HIS 3 -8.581 -13.620 -0.973 16 HE1 HIS 3 HE1 HIS 3 -8.502 -17.071 1.463 17 HE2 HIS 3 HE2 HIS 3 -8.317 -16.199 -0.902 18 H MET 4 HN MET 4 -7.545 -9.492 0.580 19 HA MET 4 HA MET 4 -7.972 -7.273 0.593 20 HB2 MET 4 HB2 MET 4 -10.823 -8.144 1.080 21 HB3 MET 4 HB1 MET 4 -10.307 -6.583 0.459 22 HG2 MET 4 HG2 MET 4 -10.094 -9.258 -0.889 23 HG3 MET 4 HG1 MET 4 -11.083 -7.884 -1.369 24 HE1 MET 4 HE1 MET 4 -8.326 -5.318 -2.537 25 HE2 MET 4 HE2 MET 4 -8.945 -5.474 -0.892 26 HE3 MET 4 HE3 MET 4 -10.050 -5.577 -2.262 27 H LEU 5 HN LEU 5 -6.779 -6.921 2.469 28 HA LEU 5 HA LEU 5 -8.398 -6.296 4.839 29 HB2 LEU 5 HB2 LEU 5 -6.387 -6.841 6.214 30 HB3 LEU 5 HB1 LEU 5 -7.108 -8.226 5.420 31 HG LEU 5 HG LEU 5 -4.799 -6.852 4.105 32 HD11 LEU 5 HD11 LEU 5 -4.585 -8.815 6.383 33 HD12 LEU 5 HD12 LEU 5 -4.040 -7.136 6.386 34 HD13 LEU 5 HD13 LEU 5 -3.255 -8.317 5.336 35 HD21 LEU 5 HD21 LEU 5 -5.961 -8.628 2.909 36 HD22 LEU 5 HD22 LEU 5 -5.712 -9.724 4.266 37 HD23 LEU 5 HD23 LEU 5 -4.329 -9.136 3.342 38 H GLN 6 HN GLN 6 -7.680 -4.489 6.056 39 HA GLN 6 HA GLN 6 -6.172 -2.582 4.423 40 HB2 GLN 6 HB2 GLN 6 -8.425 -1.862 4.944 41 HB3 GLN 6 HB1 GLN 6 -8.157 -2.146 6.656 42 HG2 GLN 6 HG2 GLN 6 -6.556 -0.357 6.752 43 HG3 GLN 6 HG1 GLN 6 -6.663 -0.127 5.007 44 HE21 GLN 6 HE21 GLN 6 -8.321 0.261 8.050 45 HE22 GLN 6 HE22 GLN 6 -9.510 1.375 7.482 46 H VAL 7 HN VAL 7 -4.212 -2.043 5.031 47 HA VAL 7 HA VAL 7 -3.404 -2.644 7.796 48 HB VAL 7 HB VAL 7 -1.130 -3.025 6.986 49 HG11 VAL 7 HG11 VAL 7 -3.230 -4.663 5.577 50 HG12 VAL 7 HG12 VAL 7 -2.532 -4.959 7.169 51 HG13 VAL 7 HG13 VAL 7 -1.534 -5.124 5.725 52 HG21 VAL 7 HG21 VAL 7 -0.654 -3.200 4.587 53 HG22 VAL 7 HG22 VAL 7 -1.130 -1.565 5.044 54 HG23 VAL 7 HG23 VAL 7 -2.281 -2.624 4.227 55 H ARG 8 HN ARG 8 -2.104 -1.217 8.870 56 HA ARG 8 HA ARG 8 -1.738 1.428 7.641 57 HB2 ARG 8 HB2 ARG 8 -1.616 0.560 10.539 58 HB3 ARG 8 HB1 ARG 8 -1.275 2.188 9.976 59 HG2 ARG 8 HG2 ARG 8 -3.597 2.273 9.067 60 HG3 ARG 8 HG1 ARG 8 -3.899 0.727 9.863 61 HD2 ARG 8 HD2 ARG 8 -4.678 2.599 11.227 62 HD3 ARG 8 HD1 ARG 8 -3.371 1.725 12.024 63 HE ARG 8 HE ARG 8 -2.105 3.735 10.693 64 HH11 ARG 8 HH11 ARG 8 -4.737 3.635 12.991 65 HH12 ARG 8 HH12 ARG 8 -4.345 5.169 13.701 66 HH21 ARG 8 HH21 ARG 8 -1.587 5.755 11.619 67 HH22 ARG 8 HH22 ARG 8 -2.549 6.375 12.922 68 H ALA 9 HN ALA 9 0.181 1.591 6.677 69 HA ALA 9 HA ALA 9 2.448 0.146 7.880 70 HB1 ALA 9 HB1 ALA 9 3.427 0.045 5.653 71 HB2 ALA 9 HB2 ALA 9 2.041 0.919 4.996 72 HB3 ALA 9 HB3 ALA 9 1.825 -0.694 5.672 73 H THR 10 HN THR 10 4.190 1.258 8.482 74 HA THR 10 HA THR 10 4.343 4.078 7.662 75 HB THR 10 HB THR 10 5.721 4.384 9.762 76 HG1 THR 10 HG1 THR 10 6.282 2.345 10.364 77 HG21 THR 10 HG21 THR 10 3.402 5.111 9.681 78 HG22 THR 10 HG22 THR 10 3.766 4.435 11.268 79 HG23 THR 10 HG23 THR 10 2.856 3.484 10.093 80 H LYS 11 HN LYS 11 5.631 3.923 5.918 81 HA LYS 11 HA LYS 11 8.426 3.529 6.318 82 HB2 LYS 11 HB2 LYS 11 7.675 1.182 6.052 83 HB3 LYS 11 HB1 LYS 11 6.942 1.601 4.512 84 HG2 LYS 11 HG2 LYS 11 9.120 2.104 3.580 85 HG3 LYS 11 HG1 LYS 11 9.882 1.766 5.137 86 HD2 LYS 11 HD2 LYS 11 9.118 -0.544 5.024 87 HD3 LYS 11 HD1 LYS 11 8.306 -0.214 3.495 88 HE2 LYS 11 HE2 LYS 11 10.435 -1.328 3.117 89 HE3 LYS 11 HE1 LYS 11 10.461 0.306 2.463 90 HZ1 LYS 11 HZ1 LYS 11 11.669 1.034 4.424 91 HZ2 LYS 11 HZ2 LYS 11 12.502 -0.202 3.633 92 HZ3 LYS 11 HZ3 LYS 11 11.648 -0.537 5.052 93 H ASP 12 HN ASP 12 9.586 4.575 4.700 94 HA ASP 12 HA ASP 12 8.070 6.199 2.856 95 HB2 ASP 12 HB2 ASP 12 11.056 5.885 3.259 96 HB3 ASP 12 HB1 ASP 12 10.327 7.015 2.125 97 H TYR 13 HN TYR 13 7.097 4.541 1.623 98 HA TYR 13 HA TYR 13 8.910 2.831 0.079 99 HB2 TYR 13 HB2 TYR 13 6.971 1.952 1.586 100 HB3 TYR 13 HB1 TYR 13 5.938 2.449 0.252 101 HD1 TYR 13 HD1 TYR 13 8.613 0.158 1.285 102 HD2 TYR 13 HD2 TYR 13 5.866 1.178 -1.796 103 HE1 TYR 13 HE1 TYR 13 9.068 -1.988 0.180 104 HE2 TYR 13 HE2 TYR 13 6.314 -0.969 -2.914 105 HH TYR 13 HH TYR 13 8.128 -3.491 -1.389 106 H CYS 14 HN CYS 14 8.852 2.785 -2.117 107 HA CYS 14 HA CYS 14 8.533 3.451 -4.250 108 HB2 CYS 14 HB2 CYS 14 6.175 2.887 -3.904 109 HB3 CYS 14 HB1 CYS 14 5.879 4.488 -3.248 110 HG CYS 14 HG CYS 14 4.765 4.466 -5.767 111 H ASN 15 HN ASN 15 6.695 6.136 -2.885 112 HA ASN 15 HA ASN 15 6.937 8.385 -3.091 113 HB2 ASN 15 HB2 ASN 15 9.832 7.729 -2.499 114 HB3 ASN 15 HB1 ASN 15 9.078 9.305 -2.319 115 HD21 ASN 15 HD21 ASN 15 6.596 8.186 -1.235 116 HD22 ASN 15 HD22 ASN 15 6.965 7.674 0.377 117 H ASN 16 HN ASN 16 6.907 7.143 -5.560 118 HA ASN 16 HA ASN 16 8.695 8.877 -7.113 119 HB2 ASN 16 HB2 ASN 16 9.535 6.451 -6.920 120 HB3 ASN 16 HB1 ASN 16 8.158 6.022 -7.930 121 HD21 ASN 16 HD21 ASN 16 11.024 5.789 -8.442 122 HD22 ASN 16 HD22 ASN 16 11.319 6.672 -9.903 123 H TYR 17 HN TYR 17 7.822 9.533 -9.136 124 HA TYR 17 HA TYR 17 5.037 9.934 -9.039 125 HB2 TYR 17 HB2 TYR 17 7.033 10.434 -11.242 126 HB3 TYR 17 HB1 TYR 17 5.346 10.930 -11.325 127 HD1 TYR 17 HD1 TYR 17 4.525 12.776 -10.009 128 HD2 TYR 17 HD2 TYR 17 8.577 11.523 -9.679 129 HE1 TYR 17 HE1 TYR 17 5.062 14.854 -8.809 130 HE2 TYR 17 HE2 TYR 17 9.126 13.600 -8.482 131 HH TYR 17 HH TYR 17 6.728 15.718 -7.276 132 H ASP 18 HN ASP 18 6.822 8.288 -11.681 133 HA ASP 18 HA ASP 18 4.403 6.671 -12.089 134 HB2 ASP 18 HB2 ASP 18 5.167 7.879 -14.079 135 HB3 ASP 18 HB1 ASP 18 6.756 7.133 -13.937 136 H LEU 19 HN LEU 19 4.555 5.028 -10.741 137 HA LEU 19 HA LEU 19 6.316 2.887 -11.326 138 HB2 LEU 19 HB2 LEU 19 7.865 4.273 -9.990 139 HB3 LEU 19 HB1 LEU 19 6.705 4.299 -8.677 140 HG LEU 19 HG LEU 19 6.958 1.855 -8.422 141 HD11 LEU 19 HD11 LEU 19 8.772 0.700 -9.577 142 HD12 LEU 19 HD12 LEU 19 9.116 2.156 -10.509 143 HD13 LEU 19 HD13 LEU 19 7.581 1.315 -10.722 144 HD21 LEU 19 HD21 LEU 19 9.541 3.409 -8.326 145 HD22 LEU 19 HD22 LEU 19 9.206 1.910 -7.461 146 HD23 LEU 19 HD23 LEU 19 8.302 3.373 -7.072 147 H THR 20 HN THR 20 5.453 0.952 -10.444 148 HA THR 20 HA THR 20 2.968 1.354 -8.950 149 HB THR 20 HB THR 20 2.665 -1.148 -9.438 150 HG1 THR 20 HG1 THR 20 4.776 -1.631 -10.098 151 HG21 THR 20 HG21 THR 20 1.418 0.636 -10.585 152 HG22 THR 20 HG22 THR 20 1.784 -0.704 -11.669 153 HG23 THR 20 HG23 THR 20 2.725 0.783 -11.760 154 H SER 21 HN SER 21 3.451 1.555 -6.930 155 HA SER 21 HA SER 21 4.443 -0.601 -5.362 156 HB2 SER 21 HB2 SER 21 6.156 1.891 -5.643 157 HB3 SER 21 HB1 SER 21 6.377 0.659 -4.401 158 HG SER 21 HG SER 21 6.285 -0.291 -6.996 159 H LEU 22 HN LEU 22 4.170 -0.090 -3.095 160 HA LEU 22 HA LEU 22 1.912 1.515 -2.596 161 HB2 LEU 22 HB2 LEU 22 3.912 0.298 -0.691 162 HB3 LEU 22 HB1 LEU 22 2.428 1.070 -0.185 163 HG LEU 22 HG LEU 22 1.987 -1.236 -0.110 164 HD11 LEU 22 HD11 LEU 22 0.220 0.071 -1.186 165 HD12 LEU 22 HD12 LEU 22 0.273 -1.589 -1.779 166 HD13 LEU 22 HD13 LEU 22 0.931 -0.282 -2.763 167 HD21 LEU 22 HD21 LEU 22 3.962 -1.920 -1.438 168 HD22 LEU 22 HD22 LEU 22 3.066 -1.527 -2.905 169 HD23 LEU 22 HD23 LEU 22 2.496 -2.810 -1.840 170 H ASN 23 HN ASN 23 2.090 3.657 -2.964 171 HA ASN 23 HA ASN 23 4.443 5.141 -2.278 172 HB2 ASN 23 HB2 ASN 23 2.919 5.760 -4.178 173 HB3 ASN 23 HB1 ASN 23 1.719 6.246 -2.983 174 HD21 ASN 23 HD21 ASN 23 2.119 8.063 -1.688 175 HD22 ASN 23 HD22 ASN 23 3.299 9.250 -2.131 176 H VAL 24 HN VAL 24 4.725 4.773 -0.101 177 HA VAL 24 HA VAL 24 2.693 5.954 1.674 178 HB VAL 24 HB VAL 24 4.880 4.039 2.489 179 HG11 VAL 24 HG11 VAL 24 3.490 3.693 4.469 180 HG12 VAL 24 HG12 VAL 24 2.321 4.859 3.853 181 HG13 VAL 24 HG13 VAL 24 3.946 5.388 4.289 182 HG21 VAL 24 HG21 VAL 24 3.461 2.912 0.868 183 HG22 VAL 24 HG22 VAL 24 2.023 3.384 1.774 184 HG23 VAL 24 HG23 VAL 24 3.186 2.266 2.486 185 H LYS 25 HN LYS 25 3.229 7.681 2.861 186 HA LYS 25 HA LYS 25 6.016 8.612 2.759 187 HB2 LYS 25 HB2 LYS 25 5.040 10.756 3.655 188 HB3 LYS 25 HB1 LYS 25 4.478 10.299 2.053 189 HG2 LYS 25 HG2 LYS 25 2.399 9.523 2.933 190 HG3 LYS 25 HG1 LYS 25 2.966 9.744 4.587 191 HD2 LYS 25 HD2 LYS 25 3.030 12.128 4.301 192 HD3 LYS 25 HD1 LYS 25 2.645 11.971 2.584 193 HE2 LYS 25 HE2 LYS 25 0.726 12.594 4.121 194 HE3 LYS 25 HE1 LYS 25 0.456 11.232 3.035 195 HZ1 LYS 25 HZ1 LYS 25 0.723 9.708 4.781 196 HZ2 LYS 25 HZ2 LYS 25 -0.266 10.927 5.416 197 HZ3 LYS 25 HZ3 LYS 25 1.370 10.874 5.826 198 H ALA 26 HN ALA 26 5.533 6.431 4.298 199 HA ALA 26 HA ALA 26 5.984 5.527 6.310 200 HB1 ALA 26 HB1 ALA 26 6.864 8.286 7.112 201 HB2 ALA 26 HB2 ALA 26 7.865 7.090 6.291 202 HB3 ALA 26 HB3 ALA 26 7.271 6.773 7.919 203 H GLY 27 HN GLY 27 3.313 6.685 5.780 204 HA2 GLY 27 HA2 GLY 27 2.123 5.984 8.195 205 HA3 GLY 27 HA1 GLY 27 2.291 7.733 8.209 206 H ASP 28 HN ASP 28 1.129 5.113 6.085 207 HA ASP 28 HA ASP 28 -1.250 6.740 5.569 208 HB2 ASP 28 HB2 ASP 28 0.416 5.460 3.393 209 HB3 ASP 28 HB1 ASP 28 -1.167 6.191 3.154 210 H ILE 29 HN ILE 29 -2.841 5.375 4.214 211 HA ILE 29 HA ILE 29 -3.084 2.825 5.647 212 HB ILE 29 HB ILE 29 -5.231 4.477 4.305 213 HG12 ILE 29 HG12 ILE 29 -4.289 5.656 6.232 214 HG13 ILE 29 HG11 ILE 29 -5.924 5.108 6.576 215 HG21 ILE 29 HG21 ILE 29 -5.453 2.106 6.151 216 HG22 ILE 29 HG22 ILE 29 -5.764 2.104 4.416 217 HG23 ILE 29 HG23 ILE 29 -6.799 3.038 5.495 218 HD11 ILE 29 HD11 ILE 29 -3.382 3.809 7.519 219 HD12 ILE 29 HD12 ILE 29 -5.015 3.227 7.845 220 HD13 ILE 29 HD13 ILE 29 -4.488 4.783 8.490 221 H ILE 30 HN ILE 30 -3.175 0.943 4.534 222 HA ILE 30 HA ILE 30 -3.261 1.139 1.590 223 HB ILE 30 HB ILE 30 -1.677 -0.910 3.133 224 HG12 ILE 30 HG12 ILE 30 -0.696 1.672 1.896 225 HG13 ILE 30 HG11 ILE 30 -0.797 1.333 3.622 226 HG21 ILE 30 HG21 ILE 30 -1.575 -0.035 0.251 227 HG22 ILE 30 HG22 ILE 30 -2.290 -1.529 0.854 228 HG23 ILE 30 HG23 ILE 30 -0.553 -1.263 0.996 229 HD11 ILE 30 HD11 ILE 30 0.958 -0.087 1.635 230 HD12 ILE 30 HD12 ILE 30 0.842 -0.461 3.355 231 HD13 ILE 30 HD13 ILE 30 1.473 1.102 2.831 232 H THR 31 HN THR 31 -4.571 -0.266 0.538 233 HA THR 31 HA THR 31 -6.006 -2.273 2.141 234 HB THR 31 HB THR 31 -6.695 -1.241 -0.624 235 HG1 THR 31 HG1 THR 31 -8.110 -0.618 1.755 236 HG21 THR 31 HG21 THR 31 -7.585 -3.469 -0.152 237 HG22 THR 31 HG22 THR 31 -8.882 -2.275 -0.193 238 HG23 THR 31 HG23 THR 31 -8.290 -2.881 1.353 239 H VAL 32 HN VAL 32 -4.932 -4.159 2.073 240 HA VAL 32 HA VAL 32 -3.578 -4.881 -0.439 241 HB VAL 32 HB VAL 32 -1.955 -6.117 0.824 242 HG11 VAL 32 HG11 VAL 32 -1.500 -3.755 0.541 243 HG12 VAL 32 HG12 VAL 32 -0.877 -4.318 2.093 244 HG13 VAL 32 HG13 VAL 32 -2.377 -3.390 2.028 245 HG21 VAL 32 HG21 VAL 32 -1.939 -6.159 3.274 246 HG22 VAL 32 HG22 VAL 32 -3.369 -6.952 2.613 247 HG23 VAL 32 HG23 VAL 32 -3.495 -5.328 3.291 248 H LEU 33 HN LEU 33 -3.314 -7.248 -0.771 249 HA LEU 33 HA LEU 33 -5.446 -8.793 0.493 250 HB2 LEU 33 HB2 LEU 33 -5.797 -9.962 -1.746 251 HB3 LEU 33 HB1 LEU 33 -6.523 -8.395 -1.510 252 HG LEU 33 HG LEU 33 -5.622 -8.778 -3.788 253 HD11 LEU 33 HD11 LEU 33 -5.935 -6.522 -2.986 254 HD12 LEU 33 HD12 LEU 33 -4.520 -6.624 -4.034 255 HD13 LEU 33 HD13 LEU 33 -4.316 -6.526 -2.285 256 HD21 LEU 33 HD21 LEU 33 -3.266 -8.753 -4.228 257 HD22 LEU 33 HD22 LEU 33 -3.646 -10.098 -3.154 258 HD23 LEU 33 HD23 LEU 33 -2.906 -8.636 -2.505 259 H GLU 34 HN GLU 34 -5.119 -11.064 0.546 260 HA GLU 34 HA GLU 34 -2.277 -11.763 0.380 261 HB2 GLU 34 HB2 GLU 34 -3.250 -12.029 2.608 262 HB3 GLU 34 HB1 GLU 34 -4.512 -13.064 1.953 263 HG2 GLU 34 HG2 GLU 34 -2.918 -14.760 1.391 264 HG3 GLU 34 HG1 GLU 34 -1.577 -13.710 1.843 265 H GLN 35 HN GLN 35 -1.891 -12.559 -1.541 266 HA GLN 35 HA GLN 35 -3.488 -14.818 -2.489 267 HB2 GLN 35 HB2 GLN 35 -2.688 -12.441 -4.184 268 HB3 GLN 35 HB1 GLN 35 -3.397 -13.923 -4.805 269 HG2 GLN 35 HG2 GLN 35 -5.423 -13.499 -3.508 270 HG3 GLN 35 HG1 GLN 35 -4.713 -12.009 -2.890 271 HE21 GLN 35 HE21 GLN 35 -7.136 -12.429 -4.430 272 HE22 GLN 35 HE22 GLN 35 -6.973 -11.472 -5.864 273 H HIS 36 HN HIS 36 -0.600 -12.850 -2.810 274 HA HIS 36 HA HIS 36 1.470 -13.288 -3.679 275 HB2 HIS 36 HB2 HIS 36 2.637 -15.046 -2.248 276 HB3 HIS 36 HB1 HIS 36 1.911 -13.681 -1.421 277 HD2 HIS 36 HD2 HIS 36 -0.296 -14.281 0.189 278 HE1 HIS 36 HE1 HIS 36 0.287 -18.463 -0.034 279 HE2 HIS 36 HE2 HIS 36 -0.807 -16.587 1.265 280 HA PRO 37 HA PRO 37 0.319 -16.841 -6.473 281 HB2 PRO 37 HB2 PRO 37 0.640 -15.463 -8.800 282 HB3 PRO 37 HB1 PRO 37 -0.894 -15.535 -7.927 283 HG2 PRO 37 HG2 PRO 37 1.176 -13.378 -7.950 284 HG3 PRO 37 HG1 PRO 37 -0.590 -13.236 -8.000 285 HD2 PRO 37 HD2 PRO 37 0.844 -12.845 -5.736 286 HD3 PRO 37 HD1 PRO 37 -0.802 -13.512 -5.722 287 H ASP 38 HN ASP 38 2.808 -14.374 -6.557 288 HA ASP 38 HA ASP 38 4.722 -16.367 -7.564 289 HB2 ASP 38 HB2 ASP 38 4.481 -14.350 -8.973 290 HB3 ASP 38 HB1 ASP 38 4.939 -13.350 -7.600 291 H GLY 39 HN GLY 39 3.672 -14.876 -4.811 292 HA2 GLY 39 HA2 GLY 39 4.787 -15.510 -2.725 293 HA3 GLY 39 HA1 GLY 39 6.313 -15.131 -3.515 294 H ARG 40 HN ARG 40 4.756 -12.800 -4.768 295 HA ARG 40 HA ARG 40 5.118 -10.968 -2.508 296 HB2 ARG 40 HB2 ARG 40 5.471 -9.227 -4.115 297 HB3 ARG 40 HB1 ARG 40 6.466 -10.595 -4.579 298 HG2 ARG 40 HG2 ARG 40 4.561 -11.212 -6.166 299 HG3 ARG 40 HG1 ARG 40 3.963 -9.579 -5.868 300 HD2 ARG 40 HD2 ARG 40 6.587 -10.405 -7.089 301 HD3 ARG 40 HD1 ARG 40 5.286 -9.480 -7.835 302 HE ARG 40 HE ARG 40 6.428 -8.206 -5.519 303 HH11 ARG 40 HH11 ARG 40 6.683 -8.643 -8.979 304 HH12 ARG 40 HH12 ARG 40 7.615 -7.201 -9.225 305 HH21 ARG 40 HH21 ARG 40 7.673 -6.298 -5.843 306 HH22 ARG 40 HH22 ARG 40 8.178 -5.877 -7.449 307 H TRP 41 HN TRP 41 3.598 -9.166 -2.345 308 HA TRP 41 HA TRP 41 0.880 -10.098 -2.985 309 HB2 TRP 41 HB2 TRP 41 1.866 -8.354 -0.718 310 HB3 TRP 41 HB1 TRP 41 0.177 -8.718 -1.031 311 HD1 TRP 41 HD1 TRP 41 2.633 -11.602 -1.366 312 HE1 TRP 41 HE1 TRP 41 2.299 -13.216 0.612 313 HE3 TRP 41 HE3 TRP 41 -0.521 -8.755 1.463 314 HZ2 TRP 41 HZ2 TRP 41 0.883 -13.260 3.058 315 HZ3 TRP 41 HZ3 TRP 41 -1.317 -9.645 3.607 316 HH2 TRP 41 HH2 TRP 41 -0.632 -11.853 4.389 317 H LYS 42 HN LYS 42 -0.726 -8.402 -3.310 318 HA LYS 42 HA LYS 42 0.409 -5.975 -4.522 319 HB2 LYS 42 HB2 LYS 42 -2.195 -7.400 -5.098 320 HB3 LYS 42 HB1 LYS 42 -1.781 -5.820 -5.740 321 HG2 LYS 42 HG2 LYS 42 0.082 -6.759 -6.949 322 HG3 LYS 42 HG1 LYS 42 -0.230 -8.344 -6.242 323 HD2 LYS 42 HD2 LYS 42 -1.099 -8.216 -8.518 324 HD3 LYS 42 HD1 LYS 42 -2.405 -8.419 -7.354 325 HE2 LYS 42 HE2 LYS 42 -1.645 -5.666 -8.224 326 HE3 LYS 42 HE1 LYS 42 -2.594 -6.675 -9.311 327 HZ1 LYS 42 HZ1 LYS 42 -4.051 -5.330 -7.982 328 HZ2 LYS 42 HZ2 LYS 42 -3.341 -5.871 -6.548 329 HZ3 LYS 42 HZ3 LYS 42 -4.229 -6.944 -7.507 330 H GLY 43 HN GLY 43 -0.476 -3.992 -3.964 331 HA2 GLY 43 HA2 GLY 43 -2.679 -3.981 -2.046 332 HA3 GLY 43 HA1 GLY 43 -1.153 -3.279 -1.527 333 H CYS 44 HN CYS 44 -3.819 -2.115 -1.950 334 HA CYS 44 HA CYS 44 -3.141 -0.080 -3.962 335 HB2 CYS 44 HB2 CYS 44 -5.347 -1.239 -4.172 336 HB3 CYS 44 HB1 CYS 44 -5.792 -0.598 -2.596 337 HG CYS 44 HG CYS 44 -5.380 1.106 -5.518 338 H ILE 45 HN ILE 45 -3.286 2.125 -3.367 339 HA ILE 45 HA ILE 45 -2.735 2.529 -0.514 340 HB ILE 45 HB ILE 45 -2.052 4.220 -2.927 341 HG12 ILE 45 HG12 ILE 45 -0.663 2.204 -2.589 342 HG13 ILE 45 HG11 ILE 45 0.258 3.688 -2.365 343 HG21 ILE 45 HG21 ILE 45 -2.580 5.677 -1.047 344 HG22 ILE 45 HG22 ILE 45 -0.850 5.702 -1.390 345 HG23 ILE 45 HG23 ILE 45 -1.465 4.775 -0.019 346 HD11 ILE 45 HD11 ILE 45 0.866 2.095 -0.680 347 HD12 ILE 45 HD12 ILE 45 -0.818 1.893 -0.204 348 HD13 ILE 45 HD13 ILE 45 0.001 3.431 0.076 349 H HIS 46 HN HIS 46 -3.994 3.744 0.723 350 HA HIS 46 HA HIS 46 -6.256 5.115 -0.547 351 HB2 HIS 46 HB2 HIS 46 -6.739 3.399 1.231 352 HB3 HIS 46 HB1 HIS 46 -5.880 4.422 2.377 353 HD2 HIS 46 HD2 HIS 46 -9.132 4.567 0.187 354 HE1 HIS 46 HE1 HIS 46 -9.474 7.256 3.428 355 HE2 HIS 46 HE2 HIS 46 -10.720 6.080 1.564 356 H ASP 47 HN ASP 47 -6.273 7.233 -0.607 357 HA ASP 47 HA ASP 47 -3.994 8.724 0.103 358 HB2 ASP 47 HB2 ASP 47 -5.449 9.307 -1.785 359 HB3 ASP 47 HB1 ASP 47 -6.752 9.683 -0.665 360 H ASN 48 HN ASN 48 -3.647 8.450 2.289 361 HA ASN 48 HA ASN 48 -5.603 9.061 4.280 362 HB2 ASN 48 HB2 ASN 48 -3.664 7.468 4.547 363 HB3 ASN 48 HB1 ASN 48 -2.602 8.870 4.613 364 HD21 ASN 48 HD21 ASN 48 -1.905 8.449 6.685 365 HD22 ASN 48 HD22 ASN 48 -2.932 8.631 8.067 366 H ARG 49 HN ARG 49 -3.322 10.863 2.473 367 HA ARG 49 HA ARG 49 -4.264 13.360 3.450 368 HB2 ARG 49 HB2 ARG 49 -2.734 12.769 5.303 369 HB3 ARG 49 HB1 ARG 49 -1.418 12.603 4.153 370 HG2 ARG 49 HG2 ARG 49 -1.607 14.981 3.598 371 HG3 ARG 49 HG1 ARG 49 -2.919 15.143 4.769 372 HD2 ARG 49 HD2 ARG 49 -1.386 14.421 6.553 373 HD3 ARG 49 HD1 ARG 49 -0.083 14.313 5.375 374 HE ARG 49 HE ARG 49 -1.199 16.901 5.311 375 HH11 ARG 49 HH11 ARG 49 0.779 14.853 7.346 376 HH12 ARG 49 HH12 ARG 49 1.607 16.177 8.097 377 HH21 ARG 49 HH21 ARG 49 -0.111 18.652 6.301 378 HH22 ARG 49 HH22 ARG 49 1.098 18.342 7.504 379 H THR 50 HN THR 50 -1.220 12.067 2.168 380 HA THR 50 HA THR 50 -1.755 13.353 -0.395 381 HB THR 50 HB THR 50 0.828 13.889 -0.334 382 HG1 THR 50 HG1 THR 50 1.391 14.564 1.841 383 HG21 THR 50 HG21 THR 50 -0.933 15.560 -0.636 384 HG22 THR 50 HG22 THR 50 0.317 16.158 0.454 385 HG23 THR 50 HG23 THR 50 -1.218 15.584 1.102 386 H GLY 51 HN GLY 51 -2.235 10.848 -0.317 387 HA2 GLY 51 HA2 GLY 51 0.254 9.416 -1.036 388 HA3 GLY 51 HA1 GLY 51 -1.112 8.648 -0.241 389 H ASN 52 HN ASN 52 -3.007 10.188 -1.950 390 HA ASN 52 HA ASN 52 -4.174 9.945 -3.887 391 HB2 ASN 52 HB2 ASN 52 -1.519 8.974 -4.951 392 HB3 ASN 52 HB1 ASN 52 -2.958 9.139 -5.948 393 HD21 ASN 52 HD21 ASN 52 -0.334 10.479 -6.036 394 HD22 ASN 52 HD22 ASN 52 -0.681 12.171 -5.978 395 H ASP 53 HN ASP 53 -4.709 8.113 -5.619 396 HA ASP 53 HA ASP 53 -4.950 5.609 -4.097 397 HB2 ASP 53 HB2 ASP 53 -6.488 6.549 -6.536 398 HB3 ASP 53 HB1 ASP 53 -6.762 5.039 -5.676 399 H ARG 54 HN ARG 54 -3.273 4.335 -4.555 400 HA ARG 54 HA ARG 54 -2.498 3.998 -7.370 401 HB2 ARG 54 HB2 ARG 54 -0.615 4.420 -5.042 402 HB3 ARG 54 HB1 ARG 54 -0.116 3.979 -6.668 403 HG2 ARG 54 HG2 ARG 54 -1.012 6.070 -7.527 404 HG3 ARG 54 HG1 ARG 54 -1.559 6.509 -5.908 405 HD2 ARG 54 HD2 ARG 54 0.510 7.640 -6.397 406 HD3 ARG 54 HD1 ARG 54 0.777 6.439 -5.134 407 HE ARG 54 HE ARG 54 1.413 5.114 -7.413 408 HH11 ARG 54 HH11 ARG 54 2.419 8.168 -6.039 409 HH12 ARG 54 HH12 ARG 54 4.005 8.108 -6.746 410 HH21 ARG 54 HH21 ARG 54 3.493 5.036 -8.360 411 HH22 ARG 54 HH22 ARG 54 4.613 6.335 -8.061 412 H VAL 55 HN VAL 55 -1.095 2.044 -7.674 413 HA VAL 55 HA VAL 55 -1.787 -0.063 -5.743 414 HB VAL 55 HB VAL 55 -3.178 -0.321 -7.740 415 HG11 VAL 55 HG11 VAL 55 -1.787 0.803 -9.374 416 HG12 VAL 55 HG12 VAL 55 -2.167 -0.830 -9.924 417 HG13 VAL 55 HG13 VAL 55 -0.577 -0.473 -9.253 418 HG21 VAL 55 HG21 VAL 55 -2.563 -2.629 -8.329 419 HG22 VAL 55 HG22 VAL 55 -2.482 -2.339 -6.593 420 HG23 VAL 55 HG23 VAL 55 -0.999 -2.399 -7.546 421 H GLY 56 HN GLY 56 -0.177 -1.513 -5.235 422 HA2 GLY 56 HA2 GLY 56 2.302 -1.447 -6.773 423 HA3 GLY 56 HA1 GLY 56 2.399 -0.890 -5.109 424 H TYR 57 HN TYR 57 3.909 -2.989 -5.976 425 HA TYR 57 HA TYR 57 2.636 -5.354 -4.782 426 HB2 TYR 57 HB2 TYR 57 5.203 -5.102 -6.375 427 HB3 TYR 57 HB1 TYR 57 4.561 -6.600 -5.719 428 HD1 TYR 57 HD1 TYR 57 2.766 -7.760 -6.807 429 HD2 TYR 57 HD2 TYR 57 4.092 -3.992 -8.271 430 HE1 TYR 57 HE1 TYR 57 1.508 -8.130 -8.888 431 HE2 TYR 57 HE2 TYR 57 2.832 -4.348 -10.351 432 HH TYR 57 HH TYR 57 1.973 -6.307 -11.664 433 H PHE 58 HN PHE 58 3.662 -6.404 -3.025 434 HA PHE 58 HA PHE 58 6.080 -5.211 -1.949 435 HB2 PHE 58 HB2 PHE 58 5.140 -4.722 0.245 436 HB3 PHE 58 HB1 PHE 58 4.299 -3.809 -0.998 437 HD1 PHE 58 HD1 PHE 58 2.099 -4.819 -1.869 438 HD2 PHE 58 HD2 PHE 58 3.926 -5.955 1.800 439 HE1 PHE 58 HE1 PHE 58 -0.056 -5.678 -1.069 440 HE2 PHE 58 HE2 PHE 58 1.770 -6.817 2.606 441 HZ PHE 58 HZ PHE 58 -0.191 -6.682 1.247 442 HA PRO 59 HA PRO 59 6.785 -9.356 -0.672 443 HB2 PRO 59 HB2 PRO 59 8.573 -8.534 1.442 444 HB3 PRO 59 HB1 PRO 59 8.978 -9.175 -0.150 445 HG2 PRO 59 HG2 PRO 59 9.482 -6.602 0.631 446 HG3 PRO 59 HG1 PRO 59 9.241 -7.095 -1.055 447 HD2 PRO 59 HD2 PRO 59 7.313 -5.809 0.839 448 HD3 PRO 59 HD1 PRO 59 7.580 -5.495 -0.890 449 H SER 60 HN SER 60 4.566 -9.414 0.211 450 HA SER 60 HA SER 60 3.067 -10.093 1.726 451 HB2 SER 60 HB2 SER 60 3.831 -11.502 3.591 452 HB3 SER 60 HB1 SER 60 4.599 -11.943 2.071 453 HG SER 60 HG SER 60 6.170 -10.164 3.192 454 H SER 61 HN SER 61 2.747 -10.121 4.380 455 HA SER 61 HA SER 61 1.664 -7.727 4.924 456 HB2 SER 61 HB2 SER 61 2.940 -9.426 7.065 457 HB3 SER 61 HB1 SER 61 1.513 -8.399 7.211 458 HG SER 61 HG SER 61 0.469 -10.166 6.735 459 H LEU 62 HN LEU 62 2.409 -5.738 5.065 460 HA LEU 62 HA LEU 62 5.014 -5.248 6.331 461 HB2 LEU 62 HB2 LEU 62 5.123 -5.159 3.839 462 HB3 LEU 62 HB1 LEU 62 3.941 -3.869 3.869 463 HG LEU 62 HG LEU 62 5.564 -2.480 5.157 464 HD11 LEU 62 HD11 LEU 62 7.906 -3.167 5.214 465 HD12 LEU 62 HD12 LEU 62 7.466 -4.735 4.536 466 HD13 LEU 62 HD13 LEU 62 6.889 -4.273 6.136 467 HD21 LEU 62 HD21 LEU 62 6.520 -3.511 2.488 468 HD22 LEU 62 HD22 LEU 62 7.013 -1.995 3.241 469 HD23 LEU 62 HD23 LEU 62 5.335 -2.229 2.746 470 H GLY 63 HN GLY 63 1.954 -4.937 6.903 471 HA2 GLY 63 HA2 GLY 63 2.224 -2.360 8.224 472 HA3 GLY 63 HA1 GLY 63 0.951 -2.474 7.019 473 H GLU 64 HN GLU 64 0.345 -1.870 9.609 474 HA GLU 64 HA GLU 64 -0.376 -4.203 11.111 475 HB2 GLU 64 HB2 GLU 64 -1.256 -1.326 11.402 476 HB3 GLU 64 HB1 GLU 64 -1.582 -2.603 12.564 477 HG2 GLU 64 HG2 GLU 64 1.134 -1.568 11.780 478 HG3 GLU 64 HG1 GLU 64 0.277 -1.224 13.283 479 H ALA 65 HN ALA 65 -1.898 -5.533 10.400 480 HA ALA 65 HA ALA 65 -3.950 -4.681 8.591 481 HB1 ALA 65 HB1 ALA 65 -4.656 -7.003 8.604 482 HB2 ALA 65 HB2 ALA 65 -3.606 -7.332 9.984 483 HB3 ALA 65 HB3 ALA 65 -2.903 -6.895 8.426 484 H ILE 66 HN ILE 66 -5.079 -3.127 9.808 485 HA ILE 66 HA ILE 66 -6.473 -3.967 12.201 486 HB ILE 66 HB ILE 66 -7.457 -1.719 12.214 487 HG12 ILE 66 HG12 ILE 66 -5.863 -1.239 9.682 488 HG13 ILE 66 HG11 ILE 66 -7.612 -1.438 9.744 489 HG21 ILE 66 HG21 ILE 66 -4.480 -1.742 11.735 490 HG22 ILE 66 HG22 ILE 66 -5.298 -2.064 13.264 491 HG23 ILE 66 HG23 ILE 66 -5.376 -0.457 12.543 492 HD11 ILE 66 HD11 ILE 66 -7.795 0.567 11.113 493 HD12 ILE 66 HD12 ILE 66 -6.984 0.901 9.583 494 HD13 ILE 66 HD13 ILE 66 -6.044 0.760 11.067 495 H VAL 67 HN VAL 67 -7.054 -3.715 8.810 496 HA VAL 67 HA VAL 67 -8.792 -4.226 7.458 497 HB VAL 67 HB VAL 67 -9.968 -5.637 9.856 498 HG11 VAL 67 HG11 VAL 67 -11.609 -5.257 8.099 499 HG12 VAL 67 HG12 VAL 67 -11.182 -6.967 8.184 500 HG13 VAL 67 HG13 VAL 67 -10.512 -5.953 6.906 501 HG21 VAL 67 HG21 VAL 67 -7.722 -6.453 9.350 502 HG22 VAL 67 HG22 VAL 67 -8.184 -6.697 7.665 503 HG23 VAL 67 HG23 VAL 67 -8.938 -7.661 8.934 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 -11.058 -17.562 -2.337 2 H2 GLY 1 HT2 GLY 1 -10.539 -16.821 -0.909 3 H3 GLY 1 HT3 GLY 1 -9.458 -17.033 -2.189 4 HA2 GLY 1 HA1 GLY 1 -10.788 -15.538 -3.566 5 HA3 GLY 1 HA2 GLY 1 -11.840 -15.274 -2.182 6 H SER 2 HN SER 2 -11.173 -13.003 -2.661 7 HA SER 2 HA SER 2 -8.474 -12.292 -1.872 8 HB2 SER 2 HB2 SER 2 -9.646 -11.114 -3.735 9 HB3 SER 2 HB1 SER 2 -10.820 -10.502 -2.569 10 HG SER 2 HG SER 2 -8.884 -9.151 -3.179 11 H HIS 3 HN HIS 3 -8.089 -12.453 0.251 12 HA HIS 3 HA HIS 3 -9.944 -12.188 2.325 13 HB2 HIS 3 HB2 HIS 3 -6.941 -11.867 2.300 14 HB3 HIS 3 HB1 HIS 3 -7.894 -11.805 3.777 15 HD2 HIS 3 HD2 HIS 3 -7.623 -14.438 0.831 16 HE1 HIS 3 HE1 HIS 3 -7.790 -16.408 4.570 17 HE2 HIS 3 HE2 HIS 3 -7.802 -16.715 2.058 18 H MET 4 HN MET 4 -7.704 -9.826 0.961 19 HA MET 4 HA MET 4 -7.575 -7.574 1.028 20 HB2 MET 4 HB2 MET 4 -9.769 -7.913 -0.115 21 HB3 MET 4 HB1 MET 4 -10.559 -7.677 1.437 22 HG2 MET 4 HG2 MET 4 -9.704 -5.431 1.584 23 HG3 MET 4 HG1 MET 4 -8.776 -5.656 0.102 24 HE1 MET 4 HE1 MET 4 -11.664 -6.039 -2.550 25 HE2 MET 4 HE2 MET 4 -11.004 -7.368 -1.601 26 HE3 MET 4 HE3 MET 4 -9.926 -6.140 -2.262 27 H LEU 5 HN LEU 5 -6.418 -7.122 2.798 28 HA LEU 5 HA LEU 5 -7.908 -6.498 5.255 29 HB2 LEU 5 HB2 LEU 5 -5.809 -7.018 6.502 30 HB3 LEU 5 HB1 LEU 5 -6.561 -8.411 5.749 31 HG LEU 5 HG LEU 5 -4.363 -7.008 4.291 32 HD11 LEU 5 HD11 LEU 5 -3.468 -7.266 6.533 33 HD12 LEU 5 HD12 LEU 5 -2.710 -8.414 5.429 34 HD13 LEU 5 HD13 LEU 5 -3.956 -8.962 6.549 35 HD21 LEU 5 HD21 LEU 5 -5.216 -9.893 4.524 36 HD22 LEU 5 HD22 LEU 5 -3.906 -9.289 3.508 37 HD23 LEU 5 HD23 LEU 5 -5.572 -8.809 3.179 38 H GLN 6 HN GLN 6 -7.185 -4.671 6.417 39 HA GLN 6 HA GLN 6 -5.779 -2.744 4.716 40 HB2 GLN 6 HB2 GLN 6 -8.036 -2.109 5.335 41 HB3 GLN 6 HB1 GLN 6 -7.675 -2.364 7.033 42 HG2 GLN 6 HG2 GLN 6 -6.210 -0.482 7.079 43 HG3 GLN 6 HG1 GLN 6 -6.318 -0.296 5.327 44 HE21 GLN 6 HE21 GLN 6 -7.000 1.555 7.534 45 HE22 GLN 6 HE22 GLN 6 -8.643 2.006 7.251 46 H VAL 7 HN VAL 7 -3.795 -2.170 5.233 47 HA VAL 7 HA VAL 7 -2.869 -2.659 7.984 48 HB VAL 7 HB VAL 7 -0.637 -3.133 7.111 49 HG11 VAL 7 HG11 VAL 7 -2.098 -5.026 7.420 50 HG12 VAL 7 HG12 VAL 7 -1.107 -5.282 5.984 51 HG13 VAL 7 HG13 VAL 7 -2.793 -4.796 5.815 52 HG21 VAL 7 HG21 VAL 7 -0.244 -3.424 4.706 53 HG22 VAL 7 HG22 VAL 7 -0.674 -1.761 5.106 54 HG23 VAL 7 HG23 VAL 7 -1.872 -2.833 4.375 55 H ARG 8 HN ARG 8 -1.614 -1.138 8.951 56 HA ARG 8 HA ARG 8 -1.244 1.395 7.503 57 HB2 ARG 8 HB2 ARG 8 -1.206 0.829 10.477 58 HB3 ARG 8 HB1 ARG 8 -0.918 2.401 9.745 59 HG2 ARG 8 HG2 ARG 8 -3.213 2.279 8.768 60 HG3 ARG 8 HG1 ARG 8 -3.474 0.819 9.726 61 HD2 ARG 8 HD2 ARG 8 -4.377 2.720 10.906 62 HD3 ARG 8 HD1 ARG 8 -2.966 2.110 11.768 63 HE ARG 8 HE ARG 8 -2.325 4.223 9.939 64 HH11 ARG 8 HH11 ARG 8 -3.485 3.515 13.169 65 HH12 ARG 8 HH12 ARG 8 -3.016 5.060 13.805 66 HH21 ARG 8 HH21 ARG 8 -1.708 6.241 10.775 67 HH22 ARG 8 HH22 ARG 8 -1.987 6.605 12.448 68 H ALA 9 HN ALA 9 0.701 1.560 6.635 69 HA ALA 9 HA ALA 9 2.965 0.293 8.025 70 HB1 ALA 9 HB1 ALA 9 4.074 0.151 5.869 71 HB2 ALA 9 HB2 ALA 9 2.713 0.964 5.096 72 HB3 ALA 9 HB3 ALA 9 2.499 -0.637 5.802 73 H THR 10 HN THR 10 4.668 1.503 8.616 74 HA THR 10 HA THR 10 4.628 4.334 7.828 75 HB THR 10 HB THR 10 6.130 4.597 9.897 76 HG1 THR 10 HG1 THR 10 6.577 2.430 10.314 77 HG21 THR 10 HG21 THR 10 4.191 4.683 11.413 78 HG22 THR 10 HG22 THR 10 3.245 3.776 10.232 79 HG23 THR 10 HG23 THR 10 3.830 5.392 9.838 80 H LYS 11 HN LYS 11 5.859 4.382 6.073 81 HA LYS 11 HA LYS 11 8.688 4.196 6.333 82 HB2 LYS 11 HB2 LYS 11 8.127 1.808 5.926 83 HB3 LYS 11 HB1 LYS 11 7.296 2.269 4.449 84 HG2 LYS 11 HG2 LYS 11 9.445 3.133 3.564 85 HG3 LYS 11 HG1 LYS 11 10.242 2.516 5.013 86 HD2 LYS 11 HD2 LYS 11 9.448 0.255 4.462 87 HD3 LYS 11 HD1 LYS 11 8.706 0.885 2.993 88 HE2 LYS 11 HE2 LYS 11 10.800 -0.098 2.394 89 HE3 LYS 11 HE1 LYS 11 10.969 1.652 2.269 90 HZ1 LYS 11 HZ1 LYS 11 12.054 1.652 4.436 91 HZ2 LYS 11 HZ2 LYS 11 12.883 0.674 3.338 92 HZ3 LYS 11 HZ3 LYS 11 11.909 -0.030 4.527 93 H ASP 12 HN ASP 12 9.614 5.581 4.829 94 HA ASP 12 HA ASP 12 7.836 7.076 3.126 95 HB2 ASP 12 HB2 ASP 12 9.833 8.092 4.275 96 HB3 ASP 12 HB1 ASP 12 10.865 7.162 3.195 97 H TYR 13 HN TYR 13 7.022 5.412 1.797 98 HA TYR 13 HA TYR 13 8.989 4.035 0.105 99 HB2 TYR 13 HB2 TYR 13 7.448 2.721 1.676 100 HB3 TYR 13 HB1 TYR 13 6.147 3.155 0.575 101 HD1 TYR 13 HD1 TYR 13 9.438 1.423 0.718 102 HD2 TYR 13 HD2 TYR 13 5.755 1.899 -1.351 103 HE1 TYR 13 HE1 TYR 13 10.001 -0.496 -0.714 104 HE2 TYR 13 HE2 TYR 13 6.302 -0.022 -2.784 105 HH TYR 13 HH TYR 13 8.253 -1.245 -3.549 106 H CYS 14 HN CYS 14 8.846 4.099 -2.034 107 HA CYS 14 HA CYS 14 8.359 4.792 -4.108 108 HB2 CYS 14 HB2 CYS 14 6.320 3.457 -3.763 109 HB3 CYS 14 HB1 CYS 14 5.504 4.876 -3.120 110 HG CYS 14 HG CYS 14 4.444 4.690 -5.600 111 H ASN 15 HN ASN 15 5.710 6.661 -2.734 112 HA ASN 15 HA ASN 15 5.077 8.762 -3.424 113 HB2 ASN 15 HB2 ASN 15 6.303 10.498 -2.151 114 HB3 ASN 15 HB1 ASN 15 5.854 9.109 -1.176 115 HD21 ASN 15 HD21 ASN 15 7.458 7.775 -0.366 116 HD22 ASN 15 HD22 ASN 15 9.122 8.250 -0.330 117 H ASN 16 HN ASN 16 6.143 7.757 -5.605 118 HA ASN 16 HA ASN 16 8.031 9.770 -6.630 119 HB2 ASN 16 HB2 ASN 16 8.927 7.455 -6.532 120 HB3 ASN 16 HB1 ASN 16 7.608 6.917 -7.564 121 HD21 ASN 16 HD21 ASN 16 9.025 6.169 -9.129 122 HD22 ASN 16 HD22 ASN 16 9.895 7.238 -10.174 123 H TYR 17 HN TYR 17 7.778 10.115 -9.064 124 HA TYR 17 HA TYR 17 5.166 11.043 -9.566 125 HB2 TYR 17 HB2 TYR 17 7.458 10.600 -11.486 126 HB3 TYR 17 HB1 TYR 17 5.991 11.492 -11.864 127 HD1 TYR 17 HD1 TYR 17 5.503 13.617 -10.590 128 HD2 TYR 17 HD2 TYR 17 9.257 11.630 -10.372 129 HE1 TYR 17 HE1 TYR 17 6.529 15.668 -9.707 130 HE2 TYR 17 HE2 TYR 17 10.295 13.677 -9.490 131 HH TYR 17 HH TYR 17 8.460 16.346 -8.404 132 H ASP 18 HN ASP 18 6.918 8.667 -11.552 133 HA ASP 18 HA ASP 18 4.399 7.183 -11.802 134 HB2 ASP 18 HB2 ASP 18 5.011 6.583 -14.108 135 HB3 ASP 18 HB1 ASP 18 4.841 8.319 -13.908 136 H LEU 19 HN LEU 19 4.579 5.414 -10.686 137 HA LEU 19 HA LEU 19 6.595 3.462 -11.205 138 HB2 LEU 19 HB2 LEU 19 7.848 4.955 -9.696 139 HB3 LEU 19 HB1 LEU 19 6.568 4.833 -8.507 140 HG LEU 19 HG LEU 19 7.058 2.382 -8.329 141 HD11 LEU 19 HD11 LEU 19 9.474 3.110 -9.974 142 HD12 LEU 19 HD12 LEU 19 8.136 2.091 -10.500 143 HD13 LEU 19 HD13 LEU 19 9.182 1.561 -9.184 144 HD21 LEU 19 HD21 LEU 19 9.093 2.686 -6.997 145 HD22 LEU 19 HD22 LEU 19 7.909 3.956 -6.691 146 HD23 LEU 19 HD23 LEU 19 9.312 4.285 -7.708 147 H THR 20 HN THR 20 5.971 1.415 -10.316 148 HA THR 20 HA THR 20 3.282 1.427 -9.138 149 HB THR 20 HB THR 20 4.806 -0.936 -10.265 150 HG1 THR 20 HG1 THR 20 4.429 0.407 -11.988 151 HG21 THR 20 HG21 THR 20 2.607 -1.996 -10.354 152 HG22 THR 20 HG22 THR 20 1.872 -0.550 -9.662 153 HG23 THR 20 HG23 THR 20 3.000 -1.510 -8.706 154 H SER 21 HN SER 21 3.533 1.698 -7.044 155 HA SER 21 HA SER 21 4.681 -0.301 -5.376 156 HB2 SER 21 HB2 SER 21 6.077 2.376 -5.620 157 HB3 SER 21 HB1 SER 21 6.281 1.307 -4.234 158 HG SER 21 HG SER 21 6.638 0.178 -6.751 159 H LEU 22 HN LEU 22 4.388 0.336 -3.059 160 HA LEU 22 HA LEU 22 1.844 1.541 -2.681 161 HB2 LEU 22 HB2 LEU 22 3.953 0.661 -0.709 162 HB3 LEU 22 HB1 LEU 22 2.382 1.264 -0.237 163 HG LEU 22 HG LEU 22 2.203 -1.059 -0.075 164 HD11 LEU 22 HD11 LEU 22 1.117 -0.374 -2.797 165 HD12 LEU 22 HD12 LEU 22 0.323 -0.044 -1.257 166 HD13 LEU 22 HD13 LEU 22 0.599 -1.710 -1.767 167 HD21 LEU 22 HD21 LEU 22 2.900 -2.629 -1.809 168 HD22 LEU 22 HD22 LEU 22 4.254 -1.662 -1.226 169 HD23 LEU 22 HD23 LEU 22 3.507 -1.289 -2.779 170 H ASN 23 HN ASN 23 1.444 3.650 -2.615 171 HA ASN 23 HA ASN 23 3.507 5.613 -2.289 172 HB2 ASN 23 HB2 ASN 23 0.505 5.799 -2.512 173 HB3 ASN 23 HB1 ASN 23 1.495 7.215 -2.193 174 HD21 ASN 23 HD21 ASN 23 3.678 6.225 -3.903 175 HD22 ASN 23 HD22 ASN 23 3.137 6.469 -5.524 176 H VAL 24 HN VAL 24 4.074 4.493 -0.139 177 HA VAL 24 HA VAL 24 2.345 5.232 2.069 178 HB VAL 24 HB VAL 24 5.082 3.986 2.269 179 HG11 VAL 24 HG11 VAL 24 2.699 3.929 4.117 180 HG12 VAL 24 HG12 VAL 24 4.152 4.905 4.336 181 HG13 VAL 24 HG13 VAL 24 4.255 3.146 4.401 182 HG21 VAL 24 HG21 VAL 24 3.777 2.589 0.796 183 HG22 VAL 24 HG22 VAL 24 2.419 2.615 1.920 184 HG23 VAL 24 HG23 VAL 24 3.921 1.808 2.371 185 H LYS 25 HN LYS 25 2.399 7.235 2.757 186 HA LYS 25 HA LYS 25 4.748 8.902 2.506 187 HB2 LYS 25 HB2 LYS 25 3.248 10.617 3.582 188 HB3 LYS 25 HB1 LYS 25 2.644 9.951 2.070 189 HG2 LYS 25 HG2 LYS 25 1.020 8.667 3.148 190 HG3 LYS 25 HG1 LYS 25 1.811 8.822 4.717 191 HD2 LYS 25 HD2 LYS 25 1.236 11.190 4.782 192 HD3 LYS 25 HD1 LYS 25 0.483 11.059 3.190 193 HE2 LYS 25 HE2 LYS 25 -1.202 9.597 4.022 194 HE3 LYS 25 HE1 LYS 25 -0.372 9.427 5.568 195 HZ1 LYS 25 HZ1 LYS 25 -0.859 11.673 6.105 196 HZ2 LYS 25 HZ2 LYS 25 -2.304 10.950 5.606 197 HZ3 LYS 25 HZ3 LYS 25 -1.470 11.986 4.564 198 H ALA 26 HN ALA 26 5.453 6.842 4.076 199 HA ALA 26 HA ALA 26 6.336 6.229 6.071 200 HB1 ALA 26 HB1 ALA 26 6.256 9.185 6.658 201 HB2 ALA 26 HB2 ALA 26 7.540 8.342 5.791 202 HB3 ALA 26 HB3 ALA 26 7.238 7.979 7.489 203 H GLY 27 HN GLY 27 3.439 6.292 5.804 204 HA2 GLY 27 HA2 GLY 27 2.489 5.274 8.050 205 HA3 GLY 27 HA1 GLY 27 2.505 6.979 8.482 206 H ASP 28 HN ASP 28 1.419 4.854 5.845 207 HA ASP 28 HA ASP 28 -0.951 6.589 5.582 208 HB2 ASP 28 HB2 ASP 28 0.834 6.585 3.690 209 HB3 ASP 28 HB1 ASP 28 0.167 5.013 3.276 210 H ILE 29 HN ILE 29 -2.598 5.226 4.075 211 HA ILE 29 HA ILE 29 -3.164 2.844 5.711 212 HB ILE 29 HB ILE 29 -5.044 4.608 4.130 213 HG12 ILE 29 HG12 ILE 29 -4.217 5.724 6.137 214 HG13 ILE 29 HG11 ILE 29 -5.914 5.303 6.325 215 HG21 ILE 29 HG21 ILE 29 -6.844 3.323 5.175 216 HG22 ILE 29 HG22 ILE 29 -5.647 2.264 5.919 217 HG23 ILE 29 HG23 ILE 29 -5.813 2.310 4.166 218 HD11 ILE 29 HD11 ILE 29 -3.568 3.841 7.509 219 HD12 ILE 29 HD12 ILE 29 -5.255 3.354 7.664 220 HD13 ILE 29 HD13 ILE 29 -4.708 4.876 8.367 221 H ILE 30 HN ILE 30 -2.624 1.026 4.658 222 HA ILE 30 HA ILE 30 -2.922 0.993 1.733 223 HB ILE 30 HB ILE 30 -1.429 -1.059 3.347 224 HG12 ILE 30 HG12 ILE 30 -0.312 1.478 2.138 225 HG13 ILE 30 HG11 ILE 30 -0.488 1.162 3.860 226 HG21 ILE 30 HG21 ILE 30 -1.236 -0.173 0.473 227 HG22 ILE 30 HG22 ILE 30 -2.007 -1.648 1.053 228 HG23 ILE 30 HG23 ILE 30 -0.264 -1.434 1.229 229 HD11 ILE 30 HD11 ILE 30 1.799 0.836 3.140 230 HD12 ILE 30 HD12 ILE 30 1.273 -0.360 1.956 231 HD13 ILE 30 HD13 ILE 30 1.091 -0.687 3.680 232 H THR 31 HN THR 31 -4.505 -0.178 0.871 233 HA THR 31 HA THR 31 -5.814 -2.209 2.546 234 HB THR 31 HB THR 31 -6.839 -0.939 -0.007 235 HG1 THR 31 HG1 THR 31 -6.596 0.301 2.175 236 HG21 THR 31 HG21 THR 31 -8.991 -1.899 0.655 237 HG22 THR 31 HG22 THR 31 -8.243 -2.617 2.080 238 HG23 THR 31 HG23 THR 31 -7.776 -3.164 0.469 239 H VAL 32 HN VAL 32 -4.858 -4.099 2.231 240 HA VAL 32 HA VAL 32 -3.807 -4.707 -0.447 241 HB VAL 32 HB VAL 32 -2.144 -6.083 0.565 242 HG11 VAL 32 HG11 VAL 32 -1.651 -3.698 0.528 243 HG12 VAL 32 HG12 VAL 32 -0.900 -4.482 1.918 244 HG13 VAL 32 HG13 VAL 32 -2.365 -3.523 2.132 245 HG21 VAL 32 HG21 VAL 32 -3.491 -7.062 2.348 246 HG22 VAL 32 HG22 VAL 32 -3.450 -5.530 3.222 247 HG23 VAL 32 HG23 VAL 32 -1.962 -6.441 2.968 248 H LEU 33 HN LEU 33 -3.727 -7.073 -0.954 249 HA LEU 33 HA LEU 33 -5.885 -8.527 0.359 250 HB2 LEU 33 HB2 LEU 33 -6.496 -9.489 -1.927 251 HB3 LEU 33 HB1 LEU 33 -7.071 -7.896 -1.516 252 HG LEU 33 HG LEU 33 -6.373 -8.151 -3.880 253 HD11 LEU 33 HD11 LEU 33 -6.425 -5.948 -2.888 254 HD12 LEU 33 HD12 LEU 33 -5.101 -6.083 -4.043 255 HD13 LEU 33 HD13 LEU 33 -4.770 -6.149 -2.312 256 HD21 LEU 33 HD21 LEU 33 -3.579 -8.360 -2.790 257 HD22 LEU 33 HD22 LEU 33 -4.049 -8.262 -4.488 258 HD23 LEU 33 HD23 LEU 33 -4.489 -9.672 -3.532 259 H GLU 34 HN GLU 34 -5.786 -10.831 0.142 260 HA GLU 34 HA GLU 34 -3.006 -11.714 -0.095 261 HB2 GLU 34 HB2 GLU 34 -4.126 -12.046 2.103 262 HB3 GLU 34 HB1 GLU 34 -5.318 -13.068 1.312 263 HG2 GLU 34 HG2 GLU 34 -3.519 -14.612 0.650 264 HG3 GLU 34 HG1 GLU 34 -2.362 -13.602 1.515 265 H GLN 35 HN GLN 35 -2.716 -12.329 -2.121 266 HA GLN 35 HA GLN 35 -4.550 -14.348 -3.225 267 HB2 GLN 35 HB2 GLN 35 -2.942 -12.262 -4.719 268 HB3 GLN 35 HB1 GLN 35 -3.854 -13.556 -5.482 269 HG2 GLN 35 HG2 GLN 35 -5.080 -11.464 -3.710 270 HG3 GLN 35 HG1 GLN 35 -4.988 -11.338 -5.465 271 HE21 GLN 35 HE21 GLN 35 -7.207 -11.289 -5.685 272 HE22 GLN 35 HE22 GLN 35 -8.193 -12.689 -5.443 273 H HIS 36 HN HIS 36 -1.237 -13.132 -3.151 274 HA HIS 36 HA HIS 36 0.788 -14.148 -3.227 275 HB2 HIS 36 HB2 HIS 36 -0.117 -15.112 -1.149 276 HB3 HIS 36 HB1 HIS 36 -0.796 -16.449 -2.063 277 HD2 HIS 36 HD2 HIS 36 2.821 -15.032 -1.353 278 HE1 HIS 36 HE1 HIS 36 2.924 -19.249 -1.686 279 HE2 HIS 36 HE2 HIS 36 4.234 -17.185 -1.023 280 HA PRO 37 HA PRO 37 -0.051 -16.504 -7.116 281 HB2 PRO 37 HB2 PRO 37 1.294 -14.392 -8.553 282 HB3 PRO 37 HB1 PRO 37 -0.384 -14.915 -8.694 283 HG2 PRO 37 HG2 PRO 37 0.358 -12.489 -7.675 284 HG3 PRO 37 HG1 PRO 37 -1.136 -13.328 -7.224 285 HD2 PRO 37 HD2 PRO 37 1.483 -13.211 -5.765 286 HD3 PRO 37 HD1 PRO 37 -0.170 -13.075 -5.122 287 H ASP 38 HN ASP 38 2.780 -14.353 -7.193 288 HA ASP 38 HA ASP 38 4.508 -16.579 -7.851 289 HB2 ASP 38 HB2 ASP 38 4.903 -14.541 -9.037 290 HB3 ASP 38 HB1 ASP 38 4.985 -13.615 -7.545 291 H GLY 39 HN GLY 39 3.839 -14.530 -5.121 292 HA2 GLY 39 HA2 GLY 39 4.587 -15.887 -3.006 293 HA3 GLY 39 HA1 GLY 39 6.177 -15.503 -3.664 294 H ARG 40 HN ARG 40 4.979 -12.979 -4.747 295 HA ARG 40 HA ARG 40 5.076 -11.412 -2.273 296 HB2 ARG 40 HB2 ARG 40 5.701 -9.531 -3.640 297 HB3 ARG 40 HB1 ARG 40 6.716 -10.893 -4.093 298 HG2 ARG 40 HG2 ARG 40 5.069 -11.295 -5.987 299 HG3 ARG 40 HG1 ARG 40 4.417 -9.700 -5.607 300 HD2 ARG 40 HD2 ARG 40 7.215 -10.383 -6.488 301 HD3 ARG 40 HD1 ARG 40 6.008 -9.454 -7.374 302 HE ARG 40 HE ARG 40 6.910 -8.397 -4.806 303 HH11 ARG 40 HH11 ARG 40 6.983 -8.213 -8.305 304 HH12 ARG 40 HH12 ARG 40 7.729 -6.645 -8.329 305 HH21 ARG 40 HH21 ARG 40 7.904 -6.346 -4.844 306 HH22 ARG 40 HH22 ARG 40 8.259 -5.592 -6.367 307 H TRP 41 HN TRP 41 3.592 -9.516 -2.199 308 HA TRP 41 HA TRP 41 0.978 -10.314 -3.301 309 HB2 TRP 41 HB2 TRP 41 1.637 -8.837 -0.749 310 HB3 TRP 41 HB1 TRP 41 0.008 -9.087 -1.355 311 HD1 TRP 41 HD1 TRP 41 2.018 -12.170 -1.877 312 HE1 TRP 41 HE1 TRP 41 1.475 -13.897 -0.045 313 HE3 TRP 41 HE3 TRP 41 -0.576 -9.158 1.331 314 HZ2 TRP 41 HZ2 TRP 41 0.121 -13.964 2.428 315 HZ3 TRP 41 HZ3 TRP 41 -1.463 -10.128 3.405 316 HH2 TRP 41 HH2 TRP 41 -1.121 -12.484 3.942 317 H LYS 42 HN LYS 42 -0.554 -8.495 -3.558 318 HA LYS 42 HA LYS 42 0.784 -5.980 -4.267 319 HB2 LYS 42 HB2 LYS 42 -0.829 -5.708 -6.109 320 HB3 LYS 42 HB1 LYS 42 0.151 -7.154 -6.320 321 HG2 LYS 42 HG2 LYS 42 -1.683 -8.527 -5.490 322 HG3 LYS 42 HG1 LYS 42 -2.663 -7.080 -5.258 323 HD2 LYS 42 HD2 LYS 42 -2.564 -6.628 -7.661 324 HD3 LYS 42 HD1 LYS 42 -1.578 -8.073 -7.891 325 HE2 LYS 42 HE2 LYS 42 -3.399 -9.468 -7.081 326 HE3 LYS 42 HE1 LYS 42 -4.382 -8.037 -6.777 327 HZ1 LYS 42 HZ1 LYS 42 -3.379 -8.864 -9.445 328 HZ2 LYS 42 HZ2 LYS 42 -4.415 -7.568 -9.120 329 HZ3 LYS 42 HZ3 LYS 42 -4.943 -9.154 -8.869 330 H GLY 43 HN GLY 43 -0.349 -4.097 -3.743 331 HA2 GLY 43 HA2 GLY 43 -2.950 -4.387 -2.448 332 HA3 GLY 43 HA1 GLY 43 -1.628 -3.808 -1.446 333 H CYS 44 HN CYS 44 -3.976 -2.364 -1.974 334 HA CYS 44 HA CYS 44 -3.028 -0.248 -3.784 335 HB2 CYS 44 HB2 CYS 44 -5.818 -0.787 -2.745 336 HB3 CYS 44 HB1 CYS 44 -5.370 0.497 -3.863 337 HG CYS 44 HG CYS 44 -6.633 -2.158 -4.780 338 H ILE 45 HN ILE 45 -3.317 1.949 -3.095 339 HA ILE 45 HA ILE 45 -3.078 2.250 -0.187 340 HB ILE 45 HB ILE 45 -2.339 4.168 -2.410 341 HG12 ILE 45 HG12 ILE 45 -0.886 2.158 -2.226 342 HG13 ILE 45 HG11 ILE 45 -0.042 3.663 -1.881 343 HG21 ILE 45 HG21 ILE 45 -1.863 4.390 0.557 344 HG22 ILE 45 HG22 ILE 45 -3.007 5.349 -0.383 345 HG23 ILE 45 HG23 ILE 45 -1.274 5.509 -0.672 346 HD11 ILE 45 HD11 ILE 45 -0.163 3.224 0.488 347 HD12 ILE 45 HD12 ILE 45 0.570 1.857 -0.348 348 HD13 ILE 45 HD13 ILE 45 -1.104 1.764 0.190 349 H HIS 46 HN HIS 46 -4.479 3.504 0.951 350 HA HIS 46 HA HIS 46 -6.786 4.537 -0.548 351 HB2 HIS 46 HB2 HIS 46 -7.279 2.871 1.219 352 HB3 HIS 46 HB1 HIS 46 -6.506 3.910 2.408 353 HD2 HIS 46 HD2 HIS 46 -8.019 6.046 3.311 354 HE1 HIS 46 HE1 HIS 46 -11.510 4.971 1.178 355 HE2 HIS 46 HE2 HIS 46 -10.517 6.585 2.858 356 H ASP 47 HN ASP 47 -6.360 6.563 -1.104 357 HA ASP 47 HA ASP 47 -4.563 8.281 0.091 358 HB2 ASP 47 HB2 ASP 47 -5.229 8.869 -2.079 359 HB3 ASP 47 HB1 ASP 47 -6.941 8.810 -1.665 360 H ASN 48 HN ASN 48 -4.550 9.515 1.779 361 HA ASN 48 HA ASN 48 -7.062 10.345 3.022 362 HB2 ASN 48 HB2 ASN 48 -6.144 9.798 5.267 363 HB3 ASN 48 HB1 ASN 48 -6.374 8.364 4.269 364 HD21 ASN 48 HD21 ASN 48 -4.540 7.364 3.341 365 HD22 ASN 48 HD22 ASN 48 -2.958 7.601 4.010 366 H ARG 49 HN ARG 49 -4.937 11.540 1.350 367 HA ARG 49 HA ARG 49 -4.157 13.713 3.174 368 HB2 ARG 49 HB2 ARG 49 -2.200 12.291 2.745 369 HB3 ARG 49 HB1 ARG 49 -2.428 12.487 1.015 370 HG2 ARG 49 HG2 ARG 49 -2.014 14.898 1.251 371 HG3 ARG 49 HG1 ARG 49 -1.732 14.663 2.977 372 HD2 ARG 49 HD2 ARG 49 0.117 13.128 2.443 373 HD3 ARG 49 HD1 ARG 49 -0.150 13.425 0.727 374 HE ARG 49 HE ARG 49 0.284 15.851 2.160 375 HH11 ARG 49 HH11 ARG 49 1.914 13.094 0.741 376 HH12 ARG 49 HH12 ARG 49 3.421 13.929 0.537 377 HH21 ARG 49 HH21 ARG 49 2.265 16.946 1.901 378 HH22 ARG 49 HH22 ARG 49 3.628 16.119 1.211 379 H THR 50 HN THR 50 -4.020 12.936 -0.316 380 HA THR 50 HA THR 50 -5.678 15.232 -0.928 381 HB THR 50 HB THR 50 -2.917 15.116 -2.147 382 HG1 THR 50 HG1 THR 50 -2.191 16.144 -0.456 383 HG21 THR 50 HG21 THR 50 -5.048 17.252 -2.090 384 HG22 THR 50 HG22 THR 50 -4.610 16.251 -3.474 385 HG23 THR 50 HG23 THR 50 -3.455 17.415 -2.828 386 H GLY 51 HN GLY 51 -3.496 12.749 -2.245 387 HA2 GLY 51 HA2 GLY 51 -5.457 11.398 -3.673 388 HA3 GLY 51 HA1 GLY 51 -4.752 12.574 -4.771 389 H ASN 52 HN ASN 52 -3.400 10.450 -2.240 390 HA ASN 52 HA ASN 52 -1.367 9.659 -4.205 391 HB2 ASN 52 HB2 ASN 52 0.013 9.007 -2.216 392 HB3 ASN 52 HB1 ASN 52 -0.346 10.723 -2.326 393 HD21 ASN 52 HD21 ASN 52 -0.865 7.793 -0.547 394 HD22 ASN 52 HD22 ASN 52 -1.597 8.523 0.842 395 H ASP 53 HN ASP 53 -3.528 8.293 -4.721 396 HA ASP 53 HA ASP 53 -3.352 5.770 -3.231 397 HB2 ASP 53 HB2 ASP 53 -5.543 5.241 -3.969 398 HB3 ASP 53 HB1 ASP 53 -5.596 6.937 -3.512 399 H ARG 54 HN ARG 54 -2.692 3.922 -4.194 400 HA ARG 54 HA ARG 54 -2.355 3.640 -7.028 401 HB2 ARG 54 HB2 ARG 54 -0.472 5.177 -6.362 402 HB3 ARG 54 HB1 ARG 54 0.129 3.903 -5.318 403 HG2 ARG 54 HG2 ARG 54 1.410 3.879 -7.316 404 HG3 ARG 54 HG1 ARG 54 0.369 2.455 -7.333 405 HD2 ARG 54 HD2 ARG 54 0.405 3.505 -9.521 406 HD3 ARG 54 HD1 ARG 54 -1.200 3.635 -8.806 407 HE ARG 54 HE ARG 54 0.241 5.953 -8.173 408 HH11 ARG 54 HH11 ARG 54 -1.126 4.358 -10.969 409 HH12 ARG 54 HH12 ARG 54 -1.394 5.835 -11.841 410 HH21 ARG 54 HH21 ARG 54 -0.102 7.907 -9.319 411 HH22 ARG 54 HH22 ARG 54 -0.817 7.851 -10.902 412 H VAL 55 HN VAL 55 -1.440 1.513 -7.560 413 HA VAL 55 HA VAL 55 -1.675 -0.391 -5.345 414 HB VAL 55 HB VAL 55 -3.145 -0.840 -7.258 415 HG11 VAL 55 HG11 VAL 55 -1.854 0.152 -9.043 416 HG12 VAL 55 HG12 VAL 55 -2.209 -1.534 -9.423 417 HG13 VAL 55 HG13 VAL 55 -0.602 -1.075 -8.856 418 HG21 VAL 55 HG21 VAL 55 -2.336 -2.729 -5.953 419 HG22 VAL 55 HG22 VAL 55 -0.925 -2.866 -7.004 420 HG23 VAL 55 HG23 VAL 55 -2.537 -3.178 -7.646 421 H GLY 56 HN GLY 56 -0.003 -1.710 -4.787 422 HA2 GLY 56 HA2 GLY 56 2.467 -1.582 -6.361 423 HA3 GLY 56 HA1 GLY 56 2.524 -1.018 -4.696 424 H TYR 57 HN TYR 57 4.154 -3.058 -5.471 425 HA TYR 57 HA TYR 57 2.852 -5.494 -4.480 426 HB2 TYR 57 HB2 TYR 57 5.502 -5.191 -5.911 427 HB3 TYR 57 HB1 TYR 57 4.746 -6.709 -5.444 428 HD1 TYR 57 HD1 TYR 57 2.755 -7.524 -6.642 429 HD2 TYR 57 HD2 TYR 57 4.764 -3.972 -7.841 430 HE1 TYR 57 HE1 TYR 57 1.597 -7.607 -8.811 431 HE2 TYR 57 HE2 TYR 57 3.612 -4.044 -10.009 432 HH TYR 57 HH TYR 57 0.963 -6.077 -10.623 433 H PHE 58 HN PHE 58 3.651 -6.578 -2.713 434 HA PHE 58 HA PHE 58 5.924 -5.482 -1.266 435 HB2 PHE 58 HB2 PHE 58 4.662 -4.946 0.734 436 HB3 PHE 58 HB1 PHE 58 3.971 -4.061 -0.621 437 HD1 PHE 58 HD1 PHE 58 1.897 -5.077 -1.748 438 HD2 PHE 58 HD2 PHE 58 3.334 -6.280 2.071 439 HE1 PHE 58 HE1 PHE 58 -0.301 -6.046 -1.225 440 HE2 PHE 58 HE2 PHE 58 1.141 -7.247 2.594 441 HZ PHE 58 HZ PHE 58 -0.672 -7.137 0.949 442 HA PRO 59 HA PRO 59 6.003 -9.687 0.146 443 HB2 PRO 59 HB2 PRO 59 7.807 -9.530 2.104 444 HB3 PRO 59 HB1 PRO 59 8.242 -9.184 0.425 445 HG2 PRO 59 HG2 PRO 59 7.777 -7.309 2.688 446 HG3 PRO 59 HG1 PRO 59 8.910 -7.180 1.333 447 HD2 PRO 59 HD2 PRO 59 6.394 -5.931 1.543 448 HD3 PRO 59 HD1 PRO 59 7.398 -6.045 0.086 449 H SER 60 HN SER 60 3.664 -8.993 0.962 450 HA SER 60 HA SER 60 1.990 -9.350 2.411 451 HB2 SER 60 HB2 SER 60 2.240 -11.232 4.003 452 HB3 SER 60 HB1 SER 60 2.778 -11.619 2.372 453 HG SER 60 HG SER 60 4.571 -12.188 3.276 454 H SER 61 HN SER 61 4.607 -9.624 4.797 455 HA SER 61 HA SER 61 3.002 -8.128 6.669 456 HB2 SER 61 HB2 SER 61 5.803 -9.207 7.037 457 HB3 SER 61 HB1 SER 61 4.651 -8.771 8.301 458 HG SER 61 HG SER 61 4.506 -10.929 6.468 459 H LEU 62 HN LEU 62 3.093 -6.180 5.248 460 HA LEU 62 HA LEU 62 5.606 -4.698 5.446 461 HB2 LEU 62 HB2 LEU 62 4.500 -4.802 3.261 462 HB3 LEU 62 HB1 LEU 62 3.068 -4.060 3.946 463 HG LEU 62 HG LEU 62 4.397 -2.016 4.427 464 HD11 LEU 62 HD11 LEU 62 6.542 -3.435 2.855 465 HD12 LEU 62 HD12 LEU 62 6.604 -3.033 4.570 466 HD13 LEU 62 HD13 LEU 62 6.580 -1.746 3.363 467 HD21 LEU 62 HD21 LEU 62 4.380 -2.927 1.553 468 HD22 LEU 62 HD22 LEU 62 4.536 -1.258 2.100 469 HD23 LEU 62 HD23 LEU 62 3.048 -2.153 2.412 470 H GLY 63 HN GLY 63 2.164 -4.351 6.264 471 HA2 GLY 63 HA2 GLY 63 2.950 -2.230 8.159 472 HA3 GLY 63 HA1 GLY 63 1.497 -2.111 7.178 473 H GLU 64 HN GLU 64 0.977 -1.767 9.665 474 HA GLU 64 HA GLU 64 0.458 -4.240 11.077 475 HB2 GLU 64 HB2 GLU 64 -0.377 -1.405 11.713 476 HB3 GLU 64 HB1 GLU 64 -0.536 -2.785 12.791 477 HG2 GLU 64 HG2 GLU 64 2.060 -1.672 11.757 478 HG3 GLU 64 HG1 GLU 64 1.378 -1.368 13.352 479 H ALA 65 HN ALA 65 -1.291 -5.447 10.741 480 HA ALA 65 HA ALA 65 -3.351 -4.436 8.985 481 HB1 ALA 65 HB1 ALA 65 -2.364 -6.690 8.687 482 HB2 ALA 65 HB2 ALA 65 -4.121 -6.698 8.830 483 HB3 ALA 65 HB3 ALA 65 -3.121 -7.179 10.202 484 H ILE 66 HN ILE 66 -5.051 -3.410 9.726 485 HA ILE 66 HA ILE 66 -6.168 -4.176 12.323 486 HB ILE 66 HB ILE 66 -7.682 -2.218 12.044 487 HG12 ILE 66 HG12 ILE 66 -6.721 -0.496 10.301 488 HG13 ILE 66 HG11 ILE 66 -6.175 -1.944 9.467 489 HG21 ILE 66 HG21 ILE 66 -4.731 -1.643 11.874 490 HG22 ILE 66 HG22 ILE 66 -5.651 -2.017 13.332 491 HG23 ILE 66 HG23 ILE 66 -5.958 -0.518 12.457 492 HD11 ILE 66 HD11 ILE 66 -9.020 -1.325 10.216 493 HD12 ILE 66 HD12 ILE 66 -8.463 -2.745 9.333 494 HD13 ILE 66 HD13 ILE 66 -8.309 -1.143 8.614 495 H VAL 67 HN VAL 67 -6.419 -4.854 9.100 496 HA VAL 67 HA VAL 67 -7.783 -6.085 7.806 497 HB VAL 67 HB VAL 67 -9.082 -6.983 10.376 498 HG11 VAL 67 HG11 VAL 67 -10.381 -7.560 8.406 499 HG12 VAL 67 HG12 VAL 67 -9.628 -9.005 9.077 500 HG13 VAL 67 HG13 VAL 67 -8.950 -8.247 7.639 501 HG21 VAL 67 HG21 VAL 67 -7.502 -8.861 10.297 502 HG22 VAL 67 HG22 VAL 67 -6.668 -7.316 10.463 503 HG23 VAL 67 HG23 VAL 67 -6.713 -8.130 8.899 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 -3.999 -16.722 1.951 2 H2 GLY 1 HT2 GLY 1 -3.705 -17.487 0.465 3 H3 GLY 1 HT3 GLY 1 -3.476 -18.332 1.908 4 HA2 GLY 1 HA1 GLY 1 -5.552 -18.909 0.699 5 HA3 GLY 1 HA2 GLY 1 -5.758 -18.418 2.372 6 H SER 2 HN SER 2 -4.973 -16.064 -0.069 7 HA SER 2 HA SER 2 -6.035 -14.188 -0.749 8 HB2 SER 2 HB2 SER 2 -7.381 -15.865 -2.005 9 HB3 SER 2 HB1 SER 2 -8.523 -15.916 -0.661 10 HG SER 2 HG SER 2 -9.126 -13.845 -1.081 11 H HIS 3 HN HIS 3 -5.460 -14.062 1.818 12 HA HIS 3 HA HIS 3 -7.508 -13.762 3.678 13 HB2 HIS 3 HB2 HIS 3 -5.019 -13.814 4.125 14 HB3 HIS 3 HB1 HIS 3 -4.964 -12.129 3.621 15 HD2 HIS 3 HD2 HIS 3 -7.058 -10.616 5.287 16 HE1 HIS 3 HE1 HIS 3 -5.795 -12.868 8.634 17 HE2 HIS 3 HE2 HIS 3 -7.239 -10.940 7.852 18 H MET 4 HN MET 4 -5.826 -11.079 2.010 19 HA MET 4 HA MET 4 -6.490 -8.998 1.384 20 HB2 MET 4 HB2 MET 4 -9.275 -10.148 1.623 21 HB3 MET 4 HB1 MET 4 -8.909 -8.559 0.971 22 HG2 MET 4 HG2 MET 4 -7.648 -9.564 -0.836 23 HG3 MET 4 HG1 MET 4 -7.922 -11.167 -0.161 24 HE1 MET 4 HE1 MET 4 -9.585 -8.022 -1.818 25 HE2 MET 4 HE2 MET 4 -10.516 -8.188 -0.331 26 HE3 MET 4 HE3 MET 4 -11.278 -8.505 -1.889 27 H LEU 5 HN LEU 5 -6.134 -7.365 2.730 28 HA LEU 5 HA LEU 5 -7.805 -6.955 5.045 29 HB2 LEU 5 HB2 LEU 5 -5.935 -7.036 6.665 30 HB3 LEU 5 HB1 LEU 5 -6.338 -8.600 5.989 31 HG LEU 5 HG LEU 5 -4.066 -6.997 4.848 32 HD11 LEU 5 HD11 LEU 5 -3.616 -7.094 7.216 33 HD12 LEU 5 HD12 LEU 5 -2.562 -8.224 6.368 34 HD13 LEU 5 HD13 LEU 5 -3.971 -8.821 7.244 35 HD21 LEU 5 HD21 LEU 5 -3.212 -9.206 4.260 36 HD22 LEU 5 HD22 LEU 5 -4.834 -8.970 3.609 37 HD23 LEU 5 HD23 LEU 5 -4.596 -9.962 5.048 38 H GLN 6 HN GLN 6 -7.233 -5.001 6.229 39 HA GLN 6 HA GLN 6 -5.881 -3.052 4.498 40 HB2 GLN 6 HB2 GLN 6 -8.236 -2.550 4.831 41 HB3 GLN 6 HB1 GLN 6 -8.047 -2.665 6.573 42 HG2 GLN 6 HG2 GLN 6 -6.681 -0.697 6.613 43 HG3 GLN 6 HG1 GLN 6 -6.668 -0.623 4.852 44 HE21 GLN 6 HE21 GLN 6 -8.631 -0.215 7.717 45 HE22 GLN 6 HE22 GLN 6 -9.872 0.722 6.963 46 H VAL 7 HN VAL 7 -4.000 -2.316 5.186 47 HA VAL 7 HA VAL 7 -3.329 -2.654 8.033 48 HB VAL 7 HB VAL 7 -1.022 -3.128 7.403 49 HG11 VAL 7 HG11 VAL 7 -1.338 -5.338 6.378 50 HG12 VAL 7 HG12 VAL 7 -2.994 -4.896 5.962 51 HG13 VAL 7 HG13 VAL 7 -2.511 -5.023 7.654 52 HG21 VAL 7 HG21 VAL 7 -0.394 -3.518 5.065 53 HG22 VAL 7 HG22 VAL 7 -0.893 -1.849 5.340 54 HG23 VAL 7 HG23 VAL 7 -1.993 -2.980 4.550 55 H ARG 8 HN ARG 8 -1.799 -1.201 8.903 56 HA ARG 8 HA ARG 8 -1.398 1.274 7.353 57 HB2 ARG 8 HB2 ARG 8 -1.649 0.960 10.353 58 HB3 ARG 8 HB1 ARG 8 -1.282 2.463 9.519 59 HG2 ARG 8 HG2 ARG 8 -3.461 2.346 8.394 60 HG3 ARG 8 HG1 ARG 8 -3.830 0.878 9.302 61 HD2 ARG 8 HD2 ARG 8 -4.855 2.790 10.369 62 HD3 ARG 8 HD1 ARG 8 -3.581 2.135 11.397 63 HE ARG 8 HE ARG 8 -2.221 4.031 10.183 64 HH11 ARG 8 HH11 ARG 8 -5.483 4.140 11.442 65 HH12 ARG 8 HH12 ARG 8 -5.439 5.843 11.761 66 HH21 ARG 8 HH21 ARG 8 -2.153 6.267 10.604 67 HH22 ARG 8 HH22 ARG 8 -3.537 7.053 11.296 68 H ALA 9 HN ALA 9 0.665 1.730 6.936 69 HA ALA 9 HA ALA 9 2.720 0.396 8.566 70 HB1 ALA 9 HB1 ALA 9 2.524 -0.666 6.362 71 HB2 ALA 9 HB2 ALA 9 4.084 0.129 6.573 72 HB3 ALA 9 HB3 ALA 9 2.829 0.890 5.595 73 H THR 10 HN THR 10 4.258 1.699 9.387 74 HA THR 10 HA THR 10 4.437 4.414 8.288 75 HB THR 10 HB THR 10 5.805 4.853 10.400 76 HG1 THR 10 HG1 THR 10 6.124 3.224 11.692 77 HG21 THR 10 HG21 THR 10 2.903 4.069 10.676 78 HG22 THR 10 HG22 THR 10 3.515 5.641 10.162 79 HG23 THR 10 HG23 THR 10 3.800 5.080 11.809 80 H LYS 11 HN LYS 11 5.739 4.236 6.605 81 HA LYS 11 HA LYS 11 8.542 3.997 7.006 82 HB2 LYS 11 HB2 LYS 11 7.951 1.596 6.884 83 HB3 LYS 11 HB1 LYS 11 7.160 1.874 5.339 84 HG2 LYS 11 HG2 LYS 11 9.289 2.509 4.347 85 HG3 LYS 11 HG1 LYS 11 10.090 2.262 5.900 86 HD2 LYS 11 HD2 LYS 11 9.348 -0.105 5.846 87 HD3 LYS 11 HD1 LYS 11 8.697 0.176 4.229 88 HE2 LYS 11 HE2 LYS 11 10.903 -0.856 4.113 89 HE3 LYS 11 HE1 LYS 11 10.933 0.770 3.433 90 HZ1 LYS 11 HZ1 LYS 11 11.803 0.070 6.183 91 HZ2 LYS 11 HZ2 LYS 11 11.917 1.591 5.456 92 HZ3 LYS 11 HZ3 LYS 11 12.844 0.303 4.873 93 H ASP 12 HN ASP 12 9.591 5.130 5.371 94 HA ASP 12 HA ASP 12 7.987 6.415 3.377 95 HB2 ASP 12 HB2 ASP 12 9.996 7.491 2.631 96 HB3 ASP 12 HB1 ASP 12 10.074 7.431 4.386 97 H TYR 13 HN TYR 13 7.393 5.573 1.484 98 HA TYR 13 HA TYR 13 9.027 3.445 0.314 99 HB2 TYR 13 HB2 TYR 13 6.976 2.717 1.824 100 HB3 TYR 13 HB1 TYR 13 6.067 3.085 0.362 101 HD1 TYR 13 HD1 TYR 13 8.522 0.829 1.889 102 HD2 TYR 13 HD2 TYR 13 6.298 1.733 -1.620 103 HE1 TYR 13 HE1 TYR 13 9.077 -1.386 0.976 104 HE2 TYR 13 HE2 TYR 13 6.841 -0.478 -2.543 105 HH TYR 13 HH TYR 13 8.148 -2.975 -0.680 106 H CYS 14 HN CYS 14 8.927 3.289 -1.880 107 HA CYS 14 HA CYS 14 8.590 3.837 -4.038 108 HB2 CYS 14 HB2 CYS 14 6.194 3.456 -3.554 109 HB3 CYS 14 HB1 CYS 14 6.029 5.150 -3.111 110 HG CYS 14 HG CYS 14 6.960 4.092 -6.230 111 H ASN 15 HN ASN 15 6.936 6.736 -2.897 112 HA ASN 15 HA ASN 15 7.327 8.939 -3.316 113 HB2 ASN 15 HB2 ASN 15 8.987 8.380 -1.468 114 HB3 ASN 15 HB1 ASN 15 10.216 8.301 -2.723 115 HD21 ASN 15 HD21 ASN 15 8.136 10.340 -0.870 116 HD22 ASN 15 HD22 ASN 15 8.846 11.847 -1.340 117 H ASN 16 HN ASN 16 6.970 7.954 -5.638 118 HA ASN 16 HA ASN 16 9.030 9.133 -7.327 119 HB2 ASN 16 HB2 ASN 16 9.619 6.722 -7.117 120 HB3 ASN 16 HB1 ASN 16 8.036 6.308 -7.767 121 HD21 ASN 16 HD21 ASN 16 8.970 5.231 -9.513 122 HD22 ASN 16 HD22 ASN 16 9.685 6.084 -10.834 123 H TYR 17 HN TYR 17 8.270 9.496 -9.541 124 HA TYR 17 HA TYR 17 5.740 10.710 -9.494 125 HB2 TYR 17 HB2 TYR 17 7.407 9.982 -11.904 126 HB3 TYR 17 HB1 TYR 17 6.094 11.146 -11.874 127 HD1 TYR 17 HD1 TYR 17 6.370 13.236 -10.465 128 HD2 TYR 17 HD2 TYR 17 9.598 10.611 -11.346 129 HE1 TYR 17 HE1 TYR 17 7.968 15.023 -9.922 130 HE2 TYR 17 HE2 TYR 17 11.200 12.391 -10.799 131 HH TYR 17 HH TYR 17 11.276 14.818 -10.699 132 H ASP 18 HN ASP 18 6.695 8.181 -11.806 133 HA ASP 18 HA ASP 18 3.970 7.093 -11.584 134 HB2 ASP 18 HB2 ASP 18 4.272 8.269 -13.715 135 HB3 ASP 18 HB1 ASP 18 5.688 7.282 -14.068 136 H LEU 19 HN LEU 19 4.158 5.250 -10.490 137 HA LEU 19 HA LEU 19 5.733 3.087 -11.493 138 HB2 LEU 19 HB2 LEU 19 7.452 4.413 -10.285 139 HB3 LEU 19 HB1 LEU 19 6.497 4.284 -8.823 140 HG LEU 19 HG LEU 19 6.790 1.799 -8.930 141 HD11 LEU 19 HD11 LEU 19 8.581 0.914 -10.339 142 HD12 LEU 19 HD12 LEU 19 8.764 2.495 -11.101 143 HD13 LEU 19 HD13 LEU 19 7.268 1.586 -11.305 144 HD21 LEU 19 HD21 LEU 19 9.096 1.840 -8.118 145 HD22 LEU 19 HD22 LEU 19 8.156 3.184 -7.469 146 HD23 LEU 19 HD23 LEU 19 9.301 3.463 -8.781 147 H THR 20 HN THR 20 5.238 1.093 -10.354 148 HA THR 20 HA THR 20 2.811 1.316 -8.732 149 HB THR 20 HB THR 20 2.705 -1.213 -9.134 150 HG1 THR 20 HG1 THR 20 4.166 -2.084 -10.398 151 HG21 THR 20 HG21 THR 20 1.236 0.374 -10.270 152 HG22 THR 20 HG22 THR 20 1.710 -0.931 -11.359 153 HG23 THR 20 HG23 THR 20 2.472 0.656 -11.494 154 H SER 21 HN SER 21 3.372 1.592 -6.715 155 HA SER 21 HA SER 21 4.658 -0.486 -5.235 156 HB2 SER 21 HB2 SER 21 6.012 2.215 -5.501 157 HB3 SER 21 HB1 SER 21 6.416 1.023 -4.267 158 HG SER 21 HG SER 21 6.401 0.008 -6.819 159 H LEU 22 HN LEU 22 4.534 0.013 -2.901 160 HA LEU 22 HA LEU 22 2.068 1.217 -2.249 161 HB2 LEU 22 HB2 LEU 22 4.354 0.312 -0.500 162 HB3 LEU 22 HB1 LEU 22 2.830 0.901 0.128 163 HG LEU 22 HG LEU 22 2.716 -1.448 0.246 164 HD11 LEU 22 HD11 LEU 22 0.884 -2.023 -1.225 165 HD12 LEU 22 HD12 LEU 22 1.262 -0.649 -2.266 166 HD13 LEU 22 HD13 LEU 22 0.695 -0.378 -0.620 167 HD21 LEU 22 HD21 LEU 22 3.605 -1.562 -2.631 168 HD22 LEU 22 HD22 LEU 22 3.158 -2.939 -1.626 169 HD23 LEU 22 HD23 LEU 22 4.583 -1.981 -1.223 170 H ASN 23 HN ASN 23 1.811 3.317 -2.532 171 HA ASN 23 HA ASN 23 3.830 5.281 -2.083 172 HB2 ASN 23 HB2 ASN 23 1.893 5.523 -3.671 173 HB3 ASN 23 HB1 ASN 23 0.835 5.693 -2.277 174 HD21 ASN 23 HD21 ASN 23 0.979 7.572 -1.005 175 HD22 ASN 23 HD22 ASN 23 1.735 9.010 -1.603 176 H VAL 24 HN VAL 24 4.326 4.401 0.119 177 HA VAL 24 HA VAL 24 2.437 5.265 2.181 178 HB VAL 24 HB VAL 24 5.048 3.825 2.631 179 HG11 VAL 24 HG11 VAL 24 2.536 4.032 4.286 180 HG12 VAL 24 HG12 VAL 24 4.047 4.890 4.583 181 HG13 VAL 24 HG13 VAL 24 3.989 3.131 4.720 182 HG21 VAL 24 HG21 VAL 24 2.323 2.616 2.150 183 HG22 VAL 24 HG22 VAL 24 3.746 1.737 2.712 184 HG23 VAL 24 HG23 VAL 24 3.740 2.469 1.108 185 H LYS 25 HN LYS 25 2.628 7.282 2.837 186 HA LYS 25 HA LYS 25 5.124 8.718 2.585 187 HB2 LYS 25 HB2 LYS 25 3.796 10.643 3.451 188 HB3 LYS 25 HB1 LYS 25 3.121 9.910 2.004 189 HG2 LYS 25 HG2 LYS 25 1.427 8.792 3.301 190 HG3 LYS 25 HG1 LYS 25 2.154 9.360 4.806 191 HD2 LYS 25 HD2 LYS 25 1.698 11.678 4.145 192 HD3 LYS 25 HD1 LYS 25 0.971 11.106 2.644 193 HE2 LYS 25 HE2 LYS 25 -0.719 11.668 4.332 194 HE3 LYS 25 HE1 LYS 25 -0.767 9.961 3.890 195 HZ1 LYS 25 HZ1 LYS 25 -0.956 10.377 6.301 196 HZ2 LYS 25 HZ2 LYS 25 0.608 11.017 6.301 197 HZ3 LYS 25 HZ3 LYS 25 0.359 9.390 5.905 198 H ALA 26 HN ALA 26 5.693 6.755 4.203 199 HA ALA 26 HA ALA 26 6.464 6.108 6.229 200 HB1 ALA 26 HB1 ALA 26 7.783 8.142 6.050 201 HB2 ALA 26 HB2 ALA 26 7.328 7.834 7.727 202 HB3 ALA 26 HB3 ALA 26 6.480 9.068 6.795 203 H GLY 27 HN GLY 27 3.580 6.380 5.789 204 HA2 GLY 27 HA2 GLY 27 2.415 5.382 7.946 205 HA3 GLY 27 HA1 GLY 27 2.527 7.074 8.417 206 H ASP 28 HN ASP 28 0.902 4.756 6.446 207 HA ASP 28 HA ASP 28 -1.203 6.657 5.888 208 HB2 ASP 28 HB2 ASP 28 0.650 6.768 4.042 209 HB3 ASP 28 HB1 ASP 28 -0.065 5.256 3.492 210 H ILE 29 HN ILE 29 -2.715 5.300 4.104 211 HA ILE 29 HA ILE 29 -3.389 2.903 5.688 212 HB ILE 29 HB ILE 29 -5.191 4.522 3.878 213 HG12 ILE 29 HG12 ILE 29 -4.467 5.868 5.803 214 HG13 ILE 29 HG11 ILE 29 -6.175 5.461 5.918 215 HG21 ILE 29 HG21 ILE 29 -5.832 2.379 5.900 216 HG22 ILE 29 HG22 ILE 29 -5.904 2.213 4.147 217 HG23 ILE 29 HG23 ILE 29 -7.013 3.306 4.976 218 HD11 ILE 29 HD11 ILE 29 -3.922 4.145 7.415 219 HD12 ILE 29 HD12 ILE 29 -5.620 3.679 7.512 220 HD13 ILE 29 HD13 ILE 29 -5.109 5.271 8.073 221 H ILE 30 HN ILE 30 -3.077 0.988 4.731 222 HA ILE 30 HA ILE 30 -2.973 0.925 1.783 223 HB ILE 30 HB ILE 30 -1.600 -1.063 3.573 224 HG12 ILE 30 HG12 ILE 30 -0.394 1.456 2.405 225 HG13 ILE 30 HG11 ILE 30 -0.761 1.207 4.109 226 HG21 ILE 30 HG21 ILE 30 -1.947 -1.718 1.255 227 HG22 ILE 30 HG22 ILE 30 -0.233 -1.441 1.568 228 HG23 ILE 30 HG23 ILE 30 -1.179 -0.230 0.706 229 HD11 ILE 30 HD11 ILE 30 1.222 -0.363 2.479 230 HD12 ILE 30 HD12 ILE 30 0.847 -0.631 4.181 231 HD13 ILE 30 HD13 ILE 30 1.597 0.881 3.671 232 H THR 31 HN THR 31 -4.487 -0.270 0.826 233 HA THR 31 HA THR 31 -5.846 -2.352 2.398 234 HB THR 31 HB THR 31 -7.506 -2.307 0.478 235 HG1 THR 31 HG1 THR 31 -6.176 -1.261 -1.061 236 HG21 THR 31 HG21 THR 31 -8.612 -0.254 1.252 237 HG22 THR 31 HG22 THR 31 -7.116 0.247 2.041 238 HG23 THR 31 HG23 THR 31 -7.968 -1.191 2.601 239 H VAL 32 HN VAL 32 -4.834 -4.257 2.167 240 HA VAL 32 HA VAL 32 -3.481 -4.759 -0.391 241 HB VAL 32 HB VAL 32 -1.920 -6.157 0.747 242 HG11 VAL 32 HG11 VAL 32 -0.883 -4.586 2.311 243 HG12 VAL 32 HG12 VAL 32 -2.378 -3.646 2.342 244 HG13 VAL 32 HG13 VAL 32 -1.451 -3.782 0.847 245 HG21 VAL 32 HG21 VAL 32 -3.436 -7.224 2.337 246 HG22 VAL 32 HG22 VAL 32 -3.521 -5.723 3.260 247 HG23 VAL 32 HG23 VAL 32 -1.997 -6.601 3.141 248 H LEU 33 HN LEU 33 -3.594 -6.749 -1.387 249 HA LEU 33 HA LEU 33 -5.566 -8.591 -0.268 250 HB2 LEU 33 HB2 LEU 33 -6.170 -9.238 -2.640 251 HB3 LEU 33 HB1 LEU 33 -6.799 -7.731 -2.033 252 HG LEU 33 HG LEU 33 -6.182 -7.611 -4.393 253 HD11 LEU 33 HD11 LEU 33 -6.116 -5.574 -3.092 254 HD12 LEU 33 HD12 LEU 33 -4.879 -5.568 -4.348 255 HD13 LEU 33 HD13 LEU 33 -4.430 -5.880 -2.673 256 HD21 LEU 33 HD21 LEU 33 -3.356 -8.104 -3.491 257 HD22 LEU 33 HD22 LEU 33 -3.863 -7.650 -5.119 258 HD23 LEU 33 HD23 LEU 33 -4.358 -9.201 -4.440 259 H GLU 34 HN GLU 34 -5.198 -10.752 -0.499 260 HA GLU 34 HA GLU 34 -2.381 -11.384 -1.017 261 HB2 GLU 34 HB2 GLU 34 -3.132 -11.812 1.270 262 HB3 GLU 34 HB1 GLU 34 -4.450 -12.808 0.669 263 HG2 GLU 34 HG2 GLU 34 -2.724 -14.329 -0.320 264 HG3 GLU 34 HG1 GLU 34 -1.506 -13.397 0.553 265 H GLN 35 HN GLN 35 -1.951 -12.480 -2.792 266 HA GLN 35 HA GLN 35 -3.973 -14.331 -3.845 267 HB2 GLN 35 HB2 GLN 35 -2.392 -12.263 -5.361 268 HB3 GLN 35 HB1 GLN 35 -3.094 -13.664 -6.155 269 HG2 GLN 35 HG2 GLN 35 -4.654 -11.639 -4.570 270 HG3 GLN 35 HG1 GLN 35 -4.479 -11.631 -6.325 271 HE21 GLN 35 HE21 GLN 35 -5.919 -13.216 -3.589 272 HE22 GLN 35 HE22 GLN 35 -7.045 -14.177 -4.486 273 H HIS 36 HN HIS 36 -0.575 -13.330 -4.215 274 HA HIS 36 HA HIS 36 0.149 -15.986 -5.099 275 HB2 HIS 36 HB2 HIS 36 1.882 -13.552 -4.619 276 HB3 HIS 36 HB1 HIS 36 2.385 -15.033 -5.428 277 HD2 HIS 36 HD2 HIS 36 1.249 -15.432 -7.995 278 HE1 HIS 36 HE1 HIS 36 0.002 -11.405 -8.350 279 HE2 HIS 36 HE2 HIS 36 0.166 -13.635 -9.531 280 HA PRO 37 HA PRO 37 1.097 -17.111 -0.815 281 HB2 PRO 37 HB2 PRO 37 1.583 -19.747 -2.003 282 HB3 PRO 37 HB1 PRO 37 0.414 -19.279 -0.765 283 HG2 PRO 37 HG2 PRO 37 -0.337 -19.962 -3.261 284 HG3 PRO 37 HG1 PRO 37 -1.206 -18.741 -2.313 285 HD2 PRO 37 HD2 PRO 37 0.793 -18.365 -4.511 286 HD3 PRO 37 HD1 PRO 37 -0.726 -17.495 -4.209 287 H ASP 38 HN ASP 38 2.919 -16.898 -3.589 288 HA ASP 38 HA ASP 38 5.355 -18.111 -2.901 289 HB2 ASP 38 HB2 ASP 38 4.818 -17.269 -5.159 290 HB3 ASP 38 HB1 ASP 38 4.874 -15.620 -4.551 291 H GLY 39 HN GLY 39 3.850 -15.140 -1.898 292 HA2 GLY 39 HA2 GLY 39 4.687 -14.459 0.377 293 HA3 GLY 39 HA1 GLY 39 6.281 -14.461 -0.364 294 H ARG 40 HN ARG 40 4.586 -13.411 -2.814 295 HA ARG 40 HA ARG 40 4.911 -10.609 -2.021 296 HB2 ARG 40 HB2 ARG 40 5.035 -10.130 -4.449 297 HB3 ARG 40 HB1 ARG 40 6.299 -11.216 -3.896 298 HG2 ARG 40 HG2 ARG 40 5.001 -13.125 -4.763 299 HG3 ARG 40 HG1 ARG 40 3.799 -11.991 -5.383 300 HD2 ARG 40 HD2 ARG 40 6.712 -12.004 -6.146 301 HD3 ARG 40 HD1 ARG 40 5.425 -12.748 -7.091 302 HE ARG 40 HE ARG 40 4.572 -10.205 -6.842 303 HH11 ARG 40 HH11 ARG 40 7.620 -11.595 -7.816 304 HH12 ARG 40 HH12 ARG 40 8.003 -10.319 -8.926 305 HH21 ARG 40 HH21 ARG 40 5.061 -8.500 -8.310 306 HH22 ARG 40 HH22 ARG 40 6.548 -8.549 -9.207 307 H TRP 41 HN TRP 41 3.185 -9.442 -1.693 308 HA TRP 41 HA TRP 41 0.641 -10.293 -2.914 309 HB2 TRP 41 HB2 TRP 41 0.983 -8.697 -0.365 310 HB3 TRP 41 HB1 TRP 41 -0.520 -9.338 -1.015 311 HD1 TRP 41 HD1 TRP 41 1.139 -12.278 -1.583 312 HE1 TRP 41 HE1 TRP 41 1.297 -13.846 0.449 313 HE3 TRP 41 HE3 TRP 41 0.158 -8.899 2.122 314 HZ2 TRP 41 HZ2 TRP 41 1.035 -13.670 3.257 315 HZ3 TRP 41 HZ3 TRP 41 0.124 -9.676 4.449 316 HH2 TRP 41 HH2 TRP 41 0.550 -12.016 5.007 317 H LYS 42 HN LYS 42 -0.886 -8.413 -3.227 318 HA LYS 42 HA LYS 42 0.624 -6.002 -3.969 319 HB2 LYS 42 HB2 LYS 42 -1.776 -7.225 -5.347 320 HB3 LYS 42 HB1 LYS 42 -1.122 -5.638 -5.729 321 HG2 LYS 42 HG2 LYS 42 1.023 -6.700 -6.328 322 HG3 LYS 42 HG1 LYS 42 0.298 -8.278 -6.024 323 HD2 LYS 42 HD2 LYS 42 -0.722 -6.282 -8.042 324 HD3 LYS 42 HD1 LYS 42 0.340 -7.637 -8.426 325 HE2 LYS 42 HE2 LYS 42 -1.362 -9.200 -7.637 326 HE3 LYS 42 HE1 LYS 42 -2.417 -7.852 -7.216 327 HZ1 LYS 42 HZ1 LYS 42 -3.006 -8.837 -9.349 328 HZ2 LYS 42 HZ2 LYS 42 -1.466 -8.492 -9.956 329 HZ3 LYS 42 HZ3 LYS 42 -2.509 -7.230 -9.541 330 H GLY 43 HN GLY 43 -0.308 -4.013 -3.491 331 HA2 GLY 43 HA2 GLY 43 -2.847 -4.038 -2.049 332 HA3 GLY 43 HA1 GLY 43 -1.428 -3.511 -1.161 333 H CYS 44 HN CYS 44 -3.824 -2.050 -1.802 334 HA CYS 44 HA CYS 44 -2.779 0.020 -3.607 335 HB2 CYS 44 HB2 CYS 44 -5.597 -0.375 -2.586 336 HB3 CYS 44 HB1 CYS 44 -5.080 0.799 -3.791 337 HG CYS 44 HG CYS 44 -6.465 -1.196 -5.123 338 H ILE 45 HN ILE 45 -2.846 2.197 -2.954 339 HA ILE 45 HA ILE 45 -2.776 2.555 -0.038 340 HB ILE 45 HB ILE 45 -1.647 4.311 -2.227 341 HG12 ILE 45 HG12 ILE 45 -0.451 2.167 -1.970 342 HG13 ILE 45 HG11 ILE 45 0.536 3.539 -1.483 343 HG21 ILE 45 HG21 ILE 45 -2.295 5.604 -0.270 344 HG22 ILE 45 HG22 ILE 45 -0.541 5.528 -0.416 345 HG23 ILE 45 HG23 ILE 45 -1.370 4.519 0.768 346 HD11 ILE 45 HD11 ILE 45 0.799 1.661 0.033 347 HD12 ILE 45 HD12 ILE 45 -0.932 1.690 0.375 348 HD13 ILE 45 HD13 ILE 45 0.086 3.049 0.852 349 H HIS 46 HN HIS 46 -4.221 3.851 0.952 350 HA HIS 46 HA HIS 46 -6.112 5.296 -0.781 351 HB2 HIS 46 HB2 HIS 46 -6.909 3.541 0.929 352 HB3 HIS 46 HB1 HIS 46 -6.472 4.718 2.162 353 HD2 HIS 46 HD2 HIS 46 -8.722 4.913 -1.084 354 HE1 HIS 46 HE1 HIS 46 -10.636 6.834 2.159 355 HE2 HIS 46 HE2 HIS 46 -10.712 6.396 -0.334 356 H ASP 47 HN ASP 47 -5.299 7.258 -1.111 357 HA ASP 47 HA ASP 47 -3.532 8.488 0.775 358 HB2 ASP 47 HB2 ASP 47 -2.990 8.750 -1.522 359 HB3 ASP 47 HB1 ASP 47 -4.604 9.336 -1.907 360 H ASN 48 HN ASN 48 -4.017 9.776 2.338 361 HA ASN 48 HA ASN 48 -6.717 10.894 2.526 362 HB2 ASN 48 HB2 ASN 48 -5.987 11.317 4.944 363 HB3 ASN 48 HB1 ASN 48 -6.188 9.638 4.456 364 HD21 ASN 48 HD21 ASN 48 -4.343 8.371 4.077 365 HD22 ASN 48 HD22 ASN 48 -2.799 8.797 4.730 366 H ARG 49 HN ARG 49 -4.388 11.980 0.936 367 HA ARG 49 HA ARG 49 -4.200 14.629 2.194 368 HB2 ARG 49 HB2 ARG 49 -2.589 13.412 -0.054 369 HB3 ARG 49 HB1 ARG 49 -2.388 15.051 0.548 370 HG2 ARG 49 HG2 ARG 49 -1.675 14.235 2.690 371 HG3 ARG 49 HG1 ARG 49 -2.026 12.572 2.215 372 HD2 ARG 49 HD2 ARG 49 0.020 14.373 0.922 373 HD3 ARG 49 HD1 ARG 49 0.373 13.091 2.080 374 HE ARG 49 HE ARG 49 -1.051 11.870 0.060 375 HH11 ARG 49 HH11 ARG 49 1.927 13.699 0.286 376 HH12 ARG 49 HH12 ARG 49 2.683 12.878 -1.039 377 HH21 ARG 49 HH21 ARG 49 -0.070 10.813 -1.702 378 HH22 ARG 49 HH22 ARG 49 1.534 11.256 -2.200 379 H THR 50 HN THR 50 -4.380 13.373 -1.139 380 HA THR 50 HA THR 50 -6.281 15.548 -1.746 381 HB THR 50 HB THR 50 -4.650 14.066 -3.808 382 HG1 THR 50 HG1 THR 50 -3.061 15.624 -3.600 383 HG21 THR 50 HG21 THR 50 -5.029 16.098 -5.127 384 HG22 THR 50 HG22 THR 50 -5.920 16.809 -3.783 385 HG23 THR 50 HG23 THR 50 -6.556 15.386 -4.608 386 H GLY 51 HN GLY 51 -5.705 12.147 -1.726 387 HA2 GLY 51 HA2 GLY 51 -7.635 10.665 -1.727 388 HA3 GLY 51 HA1 GLY 51 -8.346 11.699 -2.961 389 H ASN 52 HN ASN 52 -4.988 10.898 -3.046 390 HA ASN 52 HA ASN 52 -5.103 9.876 -5.665 391 HB2 ASN 52 HB2 ASN 52 -2.926 9.692 -3.577 392 HB3 ASN 52 HB1 ASN 52 -2.728 9.186 -5.251 393 HD21 ASN 52 HD21 ASN 52 -3.051 11.875 -3.077 394 HD22 ASN 52 HD22 ASN 52 -2.611 13.098 -4.224 395 H ASP 53 HN ASP 53 -4.535 7.750 -6.404 396 HA ASP 53 HA ASP 53 -4.960 5.574 -4.485 397 HB2 ASP 53 HB2 ASP 53 -7.134 5.966 -5.543 398 HB3 ASP 53 HB1 ASP 53 -6.396 5.856 -7.138 399 H ARG 54 HN ARG 54 -3.102 4.484 -4.584 400 HA ARG 54 HA ARG 54 -2.070 3.795 -7.253 401 HB2 ARG 54 HB2 ARG 54 -0.455 4.609 -4.833 402 HB3 ARG 54 HB1 ARG 54 0.243 3.843 -6.252 403 HG2 ARG 54 HG2 ARG 54 -0.602 5.731 -7.621 404 HG3 ARG 54 HG1 ARG 54 -1.139 6.514 -6.134 405 HD2 ARG 54 HD2 ARG 54 1.158 6.530 -5.310 406 HD3 ARG 54 HD1 ARG 54 1.699 5.730 -6.784 407 HE ARG 54 HE ARG 54 0.292 8.201 -7.235 408 HH11 ARG 54 HH11 ARG 54 3.411 6.758 -6.595 409 HH12 ARG 54 HH12 ARG 54 4.309 8.070 -7.288 410 HH21 ARG 54 HH21 ARG 54 1.463 9.935 -8.140 411 HH22 ARG 54 HH22 ARG 54 3.197 9.875 -8.174 412 H VAL 55 HN VAL 55 -0.781 1.810 -7.292 413 HA VAL 55 HA VAL 55 -1.410 -0.024 -5.092 414 HB VAL 55 HB VAL 55 -3.068 -0.414 -6.856 415 HG11 VAL 55 HG11 VAL 55 -0.707 -0.985 -8.639 416 HG12 VAL 55 HG12 VAL 55 -1.819 0.379 -8.776 417 HG13 VAL 55 HG13 VAL 55 -2.398 -1.264 -9.053 418 HG21 VAL 55 HG21 VAL 55 -2.724 -2.811 -7.163 419 HG22 VAL 55 HG22 VAL 55 -2.314 -2.314 -5.521 420 HG23 VAL 55 HG23 VAL 55 -1.034 -2.634 -6.691 421 H GLY 56 HN GLY 56 0.150 -1.552 -4.650 422 HA2 GLY 56 HA2 GLY 56 2.447 -1.757 -6.447 423 HA3 GLY 56 HA1 GLY 56 2.749 -1.120 -4.837 424 H TYR 57 HN TYR 57 4.029 -3.384 -5.677 425 HA TYR 57 HA TYR 57 2.621 -5.574 -4.321 426 HB2 TYR 57 HB2 TYR 57 4.257 -7.067 -5.423 427 HB3 TYR 57 HB1 TYR 57 3.341 -6.119 -6.587 428 HD1 TYR 57 HD1 TYR 57 6.614 -6.942 -5.333 429 HD2 TYR 57 HD2 TYR 57 4.445 -4.123 -7.667 430 HE1 TYR 57 HE1 TYR 57 8.718 -6.164 -6.334 431 HE2 TYR 57 HE2 TYR 57 6.545 -3.338 -8.676 432 HH TYR 57 HH TYR 57 8.947 -3.304 -8.135 433 H PHE 58 HN PHE 58 3.664 -6.745 -2.676 434 HA PHE 58 HA PHE 58 6.197 -5.738 -1.654 435 HB2 PHE 58 HB2 PHE 58 5.284 -5.218 0.564 436 HB3 PHE 58 HB1 PHE 58 4.540 -4.209 -0.669 437 HD1 PHE 58 HD1 PHE 58 2.225 -4.874 -1.518 438 HD2 PHE 58 HD2 PHE 58 3.995 -6.522 1.979 439 HE1 PHE 58 HE1 PHE 58 0.009 -5.599 -0.740 440 HE2 PHE 58 HE2 PHE 58 1.786 -7.255 2.760 441 HZ PHE 58 HZ PHE 58 -0.208 -6.796 1.401 442 HA PRO 59 HA PRO 59 6.489 -9.983 -0.432 443 HB2 PRO 59 HB2 PRO 59 8.612 -9.851 1.221 444 HB3 PRO 59 HB1 PRO 59 8.762 -9.633 -0.526 445 HG2 PRO 59 HG2 PRO 59 8.701 -7.581 1.644 446 HG3 PRO 59 HG1 PRO 59 9.704 -7.640 0.185 447 HD2 PRO 59 HD2 PRO 59 7.437 -6.107 0.440 448 HD3 PRO 59 HD1 PRO 59 8.084 -6.680 -1.109 449 H SER 60 HN SER 60 4.370 -9.571 0.716 450 HA SER 60 HA SER 60 3.040 -10.216 2.420 451 HB2 SER 60 HB2 SER 60 5.556 -11.025 3.880 452 HB3 SER 60 HB1 SER 60 3.915 -11.589 4.195 453 HG SER 60 HG SER 60 4.783 -11.926 1.591 454 H SER 61 HN SER 61 3.078 -10.037 5.097 455 HA SER 61 HA SER 61 2.073 -7.631 5.611 456 HB2 SER 61 HB2 SER 61 3.703 -9.172 7.629 457 HB3 SER 61 HB1 SER 61 2.361 -8.076 7.963 458 HG SER 61 HG SER 61 1.496 -10.099 7.978 459 H LEU 62 HN LEU 62 2.884 -5.721 5.094 460 HA LEU 62 HA LEU 62 5.547 -4.977 6.087 461 HB2 LEU 62 HB2 LEU 62 5.183 -4.698 3.670 462 HB3 LEU 62 HB1 LEU 62 3.808 -3.662 3.996 463 HG LEU 62 HG LEU 62 5.343 -2.034 5.083 464 HD11 LEU 62 HD11 LEU 62 7.483 -3.880 4.035 465 HD12 LEU 62 HD12 LEU 62 7.132 -3.532 5.728 466 HD13 LEU 62 HD13 LEU 62 7.757 -2.261 4.678 467 HD21 LEU 62 HD21 LEU 62 5.986 -2.763 2.229 468 HD22 LEU 62 HD22 LEU 62 6.336 -1.213 2.994 469 HD23 LEU 62 HD23 LEU 62 4.664 -1.730 2.772 470 H GLY 63 HN GLY 63 2.164 -4.402 6.342 471 HA2 GLY 63 HA2 GLY 63 2.676 -2.280 8.320 472 HA3 GLY 63 HA1 GLY 63 1.319 -2.206 7.203 473 H GLU 64 HN GLU 64 0.762 -2.004 9.820 474 HA GLU 64 HA GLU 64 0.060 -4.662 10.809 475 HB2 GLU 64 HB2 GLU 64 -0.243 -1.937 12.076 476 HB3 GLU 64 HB1 GLU 64 -0.649 -3.461 12.851 477 HG2 GLU 64 HG2 GLU 64 1.695 -4.159 12.673 478 HG3 GLU 64 HG1 GLU 64 2.088 -2.601 11.949 479 H ALA 65 HN ALA 65 -1.926 -5.481 10.708 480 HA ALA 65 HA ALA 65 -3.868 -4.177 9.090 481 HB1 ALA 65 HB1 ALA 65 -4.260 -6.657 10.744 482 HB2 ALA 65 HB2 ALA 65 -3.497 -6.641 9.157 483 HB3 ALA 65 HB3 ALA 65 -5.181 -6.150 9.328 484 H ILE 66 HN ILE 66 -5.652 -3.102 9.611 485 HA ILE 66 HA ILE 66 -6.254 -2.774 12.479 486 HB ILE 66 HB ILE 66 -7.396 -0.646 11.794 487 HG12 ILE 66 HG12 ILE 66 -5.897 -1.057 9.197 488 HG13 ILE 66 HG11 ILE 66 -7.633 -1.275 9.381 489 HG21 ILE 66 HG21 ILE 66 -5.296 0.630 11.538 490 HG22 ILE 66 HG22 ILE 66 -4.441 -0.887 11.254 491 HG23 ILE 66 HG23 ILE 66 -5.212 -0.586 12.811 492 HD11 ILE 66 HD11 ILE 66 -7.856 1.083 9.985 493 HD12 ILE 66 HD12 ILE 66 -7.110 0.881 8.400 494 HD13 ILE 66 HD13 ILE 66 -6.115 1.290 9.796 495 H VAL 67 HN VAL 67 -7.178 -4.775 10.386 496 HA VAL 67 HA VAL 67 -10.029 -4.213 10.304 497 HB VAL 67 HB VAL 67 -10.183 -6.304 8.942 498 HG11 VAL 67 HG11 VAL 67 -8.274 -4.195 7.947 499 HG12 VAL 67 HG12 VAL 67 -10.035 -4.110 7.897 500 HG13 VAL 67 HG13 VAL 67 -9.182 -5.320 6.936 501 HG21 VAL 67 HG21 VAL 67 -8.185 -7.447 9.768 502 HG22 VAL 67 HG22 VAL 67 -7.167 -6.199 9.047 503 HG23 VAL 67 HG23 VAL 67 -8.126 -7.258 8.015 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 -3.100 -12.254 9.652 2 H2 GLY 1 HT2 GLY 1 -3.058 -10.706 10.331 3 H3 GLY 1 HT3 GLY 1 -2.048 -11.086 9.030 4 HA2 GLY 1 HA1 GLY 1 -5.005 -10.964 8.939 5 HA3 GLY 1 HA2 GLY 1 -3.909 -9.745 8.301 6 H SER 2 HN SER 2 -5.949 -11.701 7.104 7 HA SER 2 HA SER 2 -4.321 -12.465 4.833 8 HB2 SER 2 HB2 SER 2 -5.341 -14.826 4.955 9 HB3 SER 2 HB1 SER 2 -4.024 -14.456 6.066 10 HG SER 2 HG SER 2 -6.229 -15.450 6.788 11 H HIS 3 HN HIS 3 -5.486 -12.791 2.957 12 HA HIS 3 HA HIS 3 -7.131 -12.511 1.439 13 HB2 HIS 3 HB2 HIS 3 -8.813 -13.645 3.676 14 HB3 HIS 3 HB1 HIS 3 -9.351 -13.475 2.007 15 HD2 HIS 3 HD2 HIS 3 -7.249 -14.830 0.243 16 HE1 HIS 3 HE1 HIS 3 -7.046 -17.935 3.100 17 HE2 HIS 3 HE2 HIS 3 -6.332 -17.191 0.790 18 H MET 4 HN MET 4 -6.987 -10.291 1.295 19 HA MET 4 HA MET 4 -7.716 -8.156 1.244 20 HB2 MET 4 HB2 MET 4 -10.321 -9.435 2.066 21 HB3 MET 4 HB1 MET 4 -10.158 -7.735 1.655 22 HG2 MET 4 HG2 MET 4 -9.362 -8.387 -0.585 23 HG3 MET 4 HG1 MET 4 -9.631 -10.078 -0.159 24 HE1 MET 4 HE1 MET 4 -10.922 -8.758 -2.752 25 HE2 MET 4 HE2 MET 4 -12.560 -9.402 -2.661 26 HE3 MET 4 HE3 MET 4 -11.185 -10.431 -2.268 27 H LEU 5 HN LEU 5 -6.536 -7.147 2.731 28 HA LEU 5 HA LEU 5 -7.734 -6.734 5.358 29 HB2 LEU 5 HB2 LEU 5 -5.535 -7.078 6.466 30 HB3 LEU 5 HB1 LEU 5 -6.234 -8.545 5.812 31 HG LEU 5 HG LEU 5 -4.228 -7.043 4.176 32 HD11 LEU 5 HD11 LEU 5 -3.558 -8.935 6.423 33 HD12 LEU 5 HD12 LEU 5 -3.194 -7.210 6.371 34 HD13 LEU 5 HD13 LEU 5 -2.423 -8.309 5.227 35 HD21 LEU 5 HD21 LEU 5 -4.878 -9.973 4.508 36 HD22 LEU 5 HD22 LEU 5 -3.683 -9.303 3.398 37 HD23 LEU 5 HD23 LEU 5 -5.394 -8.938 3.176 38 H GLN 6 HN GLN 6 -7.155 -4.787 6.322 39 HA GLN 6 HA GLN 6 -5.769 -2.916 4.545 40 HB2 GLN 6 HB2 GLN 6 -7.992 -2.188 5.114 41 HB3 GLN 6 HB1 GLN 6 -7.699 -2.469 6.824 42 HG2 GLN 6 HG2 GLN 6 -6.179 -0.639 6.939 43 HG3 GLN 6 HG1 GLN 6 -6.202 -0.442 5.188 44 HE21 GLN 6 HE21 GLN 6 -6.883 1.398 7.401 45 HE22 GLN 6 HE22 GLN 6 -8.483 1.945 7.057 46 H VAL 7 HN VAL 7 -3.833 -2.184 5.067 47 HA VAL 7 HA VAL 7 -2.843 -2.756 7.776 48 HB VAL 7 HB VAL 7 -0.615 -3.081 6.846 49 HG11 VAL 7 HG11 VAL 7 -1.993 -5.046 7.065 50 HG12 VAL 7 HG12 VAL 7 -1.017 -5.179 5.605 51 HG13 VAL 7 HG13 VAL 7 -2.724 -4.754 5.488 52 HG21 VAL 7 HG21 VAL 7 -0.746 -1.595 4.930 53 HG22 VAL 7 HG22 VAL 7 -1.905 -2.674 4.151 54 HG23 VAL 7 HG23 VAL 7 -0.248 -3.210 4.425 55 H ARG 8 HN ARG 8 -1.597 -1.266 8.792 56 HA ARG 8 HA ARG 8 -1.398 1.386 7.523 57 HB2 ARG 8 HB2 ARG 8 -1.284 0.650 10.461 58 HB3 ARG 8 HB1 ARG 8 -1.210 2.280 9.805 59 HG2 ARG 8 HG2 ARG 8 -3.478 2.057 8.954 60 HG3 ARG 8 HG1 ARG 8 -3.557 0.406 9.571 61 HD2 ARG 8 HD2 ARG 8 -4.680 1.917 11.093 62 HD3 ARG 8 HD1 ARG 8 -3.229 1.262 11.851 63 HE ARG 8 HE ARG 8 -2.722 3.760 10.569 64 HH11 ARG 8 HH11 ARG 8 -4.109 2.337 13.454 65 HH12 ARG 8 HH12 ARG 8 -3.796 3.729 14.440 66 HH21 ARG 8 HH21 ARG 8 -2.329 5.591 11.856 67 HH22 ARG 8 HH22 ARG 8 -2.796 5.586 13.529 68 H ALA 9 HN ALA 9 0.558 1.692 6.678 69 HA ALA 9 HA ALA 9 2.826 0.228 7.844 70 HB1 ALA 9 HB1 ALA 9 3.901 0.457 5.683 71 HB2 ALA 9 HB2 ALA 9 2.555 1.432 5.096 72 HB3 ALA 9 HB3 ALA 9 2.305 -0.266 5.500 73 H THR 10 HN THR 10 4.458 1.295 8.784 74 HA THR 10 HA THR 10 4.502 4.214 8.487 75 HB THR 10 HB THR 10 5.963 4.145 10.543 76 HG1 THR 10 HG1 THR 10 6.378 1.766 10.145 77 HG21 THR 10 HG21 THR 10 4.105 3.718 12.098 78 HG22 THR 10 HG22 THR 10 3.197 2.956 10.793 79 HG23 THR 10 HG23 THR 10 3.585 4.673 10.710 80 H LYS 11 HN LYS 11 5.686 4.478 6.652 81 HA LYS 11 HA LYS 11 8.494 4.536 7.025 82 HB2 LYS 11 HB2 LYS 11 8.275 2.180 6.315 83 HB3 LYS 11 HB1 LYS 11 7.441 2.702 4.859 84 HG2 LYS 11 HG2 LYS 11 9.414 3.799 4.048 85 HG3 LYS 11 HG1 LYS 11 10.260 3.481 5.564 86 HD2 LYS 11 HD2 LYS 11 10.131 1.083 5.142 87 HD3 LYS 11 HD1 LYS 11 9.253 1.386 3.644 88 HE2 LYS 11 HE2 LYS 11 11.628 0.928 3.233 89 HE3 LYS 11 HE1 LYS 11 11.175 2.553 2.725 90 HZ1 LYS 11 HZ1 LYS 11 13.304 2.461 3.919 91 HZ2 LYS 11 HZ2 LYS 11 12.501 1.914 5.302 92 HZ3 LYS 11 HZ3 LYS 11 12.176 3.455 4.690 93 H ASP 12 HN ASP 12 9.320 6.202 5.835 94 HA ASP 12 HA ASP 12 7.506 7.650 4.119 95 HB2 ASP 12 HB2 ASP 12 9.369 9.288 3.920 96 HB3 ASP 12 HB1 ASP 12 8.934 8.945 5.589 97 H TYR 13 HN TYR 13 7.276 5.875 2.609 98 HA TYR 13 HA TYR 13 9.627 5.216 1.006 99 HB2 TYR 13 HB2 TYR 13 8.133 3.446 2.024 100 HB3 TYR 13 HB1 TYR 13 6.881 3.963 0.903 101 HD1 TYR 13 HD1 TYR 13 10.479 2.949 0.803 102 HD2 TYR 13 HD2 TYR 13 6.648 2.736 -1.027 103 HE1 TYR 13 HE1 TYR 13 11.380 1.412 -0.890 104 HE2 TYR 13 HE2 TYR 13 7.537 1.205 -2.728 105 HH TYR 13 HH TYR 13 9.701 0.630 -3.733 106 H CYS 14 HN CYS 14 8.813 7.764 0.560 107 HA CYS 14 HA CYS 14 8.490 7.844 -2.223 108 HB2 CYS 14 HB2 CYS 14 6.158 7.210 -1.723 109 HB3 CYS 14 HB1 CYS 14 6.004 8.605 -0.663 110 HG CYS 14 HG CYS 14 6.242 10.484 -2.710 111 H ASN 15 HN ASN 15 10.299 9.240 -1.861 112 HA ASN 15 HA ASN 15 9.456 11.960 -1.091 113 HB2 ASN 15 HB2 ASN 15 12.173 10.790 -0.455 114 HB3 ASN 15 HB1 ASN 15 11.604 12.401 -0.050 115 HD21 ASN 15 HD21 ASN 15 11.650 9.097 0.816 116 HD22 ASN 15 HD22 ASN 15 10.792 9.244 2.312 117 H ASN 16 HN ASN 16 12.308 10.311 -2.428 118 HA ASN 16 HA ASN 16 12.169 11.642 -4.948 119 HB2 ASN 16 HB2 ASN 16 13.845 12.789 -2.786 120 HB3 ASN 16 HB1 ASN 16 14.624 12.612 -4.351 121 HD21 ASN 16 HD21 ASN 16 12.316 13.085 -5.949 122 HD22 ASN 16 HD22 ASN 16 11.921 14.762 -5.789 123 H TYR 17 HN TYR 17 13.363 10.556 -6.424 124 HA TYR 17 HA TYR 17 14.602 8.902 -7.350 125 HB2 TYR 17 HB2 TYR 17 16.283 9.215 -4.855 126 HB3 TYR 17 HB1 TYR 17 16.759 8.322 -6.295 127 HD1 TYR 17 HD1 TYR 17 16.429 11.594 -4.773 128 HD2 TYR 17 HD2 TYR 17 17.205 9.531 -8.408 129 HE1 TYR 17 HE1 TYR 17 17.365 13.653 -5.736 130 HE2 TYR 17 HE2 TYR 17 18.141 11.585 -9.377 131 HH TYR 17 HH TYR 17 17.951 14.028 -9.036 132 H ASP 18 HN ASP 18 12.346 8.247 -5.793 133 HA ASP 18 HA ASP 18 13.057 5.658 -4.605 134 HB2 ASP 18 HB2 ASP 18 10.565 7.364 -4.415 135 HB3 ASP 18 HB1 ASP 18 10.625 5.707 -3.832 136 H LEU 19 HN LEU 19 11.548 3.862 -5.102 137 HA LEU 19 HA LEU 19 10.633 3.994 -7.889 138 HB2 LEU 19 HB2 LEU 19 10.598 1.547 -7.857 139 HB3 LEU 19 HB1 LEU 19 12.187 2.158 -7.446 140 HG LEU 19 HG LEU 19 10.301 1.400 -5.246 141 HD11 LEU 19 HD11 LEU 19 10.255 -0.489 -6.791 142 HD12 LEU 19 HD12 LEU 19 11.153 -0.890 -5.328 143 HD13 LEU 19 HD13 LEU 19 12.019 -0.518 -6.819 144 HD21 LEU 19 HD21 LEU 19 13.300 1.257 -5.563 145 HD22 LEU 19 HD22 LEU 19 12.393 0.847 -4.108 146 HD23 LEU 19 HD23 LEU 19 12.415 2.509 -4.693 147 H THR 20 HN THR 20 8.481 3.020 -8.335 148 HA THR 20 HA THR 20 6.776 4.022 -6.178 149 HB THR 20 HB THR 20 6.021 3.624 -9.073 150 HG1 THR 20 HG1 THR 20 6.432 5.925 -9.200 151 HG21 THR 20 HG21 THR 20 4.807 5.292 -6.866 152 HG22 THR 20 HG22 THR 20 4.135 3.802 -7.526 153 HG23 THR 20 HG23 THR 20 4.250 5.241 -8.540 154 H SER 21 HN SER 21 6.337 2.391 -4.922 155 HA SER 21 HA SER 21 4.300 0.564 -5.815 156 HB2 SER 21 HB2 SER 21 6.848 -0.476 -4.532 157 HB3 SER 21 HB1 SER 21 5.398 -1.433 -4.841 158 HG SER 21 HG SER 21 6.289 -0.125 -7.066 159 H LEU 22 HN LEU 22 2.817 1.298 -4.406 160 HA LEU 22 HA LEU 22 1.773 1.929 -2.502 161 HB2 LEU 22 HB2 LEU 22 4.066 0.511 -1.143 162 HB3 LEU 22 HB1 LEU 22 2.689 1.182 -0.295 163 HG LEU 22 HG LEU 22 2.166 -1.064 -0.421 164 HD11 LEU 22 HD11 LEU 22 0.335 -1.308 -1.982 165 HD12 LEU 22 HD12 LEU 22 0.914 0.078 -2.904 166 HD13 LEU 22 HD13 LEU 22 0.327 0.302 -1.258 167 HD21 LEU 22 HD21 LEU 22 2.460 -2.461 -2.424 168 HD22 LEU 22 HD22 LEU 22 3.980 -1.792 -1.831 169 HD23 LEU 22 HD23 LEU 22 3.201 -1.089 -3.248 170 H ASN 23 HN ASN 23 1.854 4.084 -2.582 171 HA ASN 23 HA ASN 23 4.276 5.562 -2.102 172 HB2 ASN 23 HB2 ASN 23 1.430 6.566 -2.407 173 HB3 ASN 23 HB1 ASN 23 2.882 7.559 -2.442 174 HD21 ASN 23 HD21 ASN 23 0.858 5.394 -4.198 175 HD22 ASN 23 HD22 ASN 23 1.660 5.544 -5.722 176 H VAL 24 HN VAL 24 4.442 4.433 0.053 177 HA VAL 24 HA VAL 24 2.624 5.173 2.142 178 HB VAL 24 HB VAL 24 5.388 4.030 2.528 179 HG11 VAL 24 HG11 VAL 24 4.410 3.025 4.521 180 HG12 VAL 24 HG12 VAL 24 2.851 3.751 4.132 181 HG13 VAL 24 HG13 VAL 24 4.225 4.779 4.541 182 HG21 VAL 24 HG21 VAL 24 2.854 2.568 1.803 183 HG22 VAL 24 HG22 VAL 24 4.302 1.790 2.439 184 HG23 VAL 24 HG23 VAL 24 4.359 2.622 0.885 185 H LYS 25 HN LYS 25 2.789 6.765 3.616 186 HA LYS 25 HA LYS 25 5.198 8.441 3.558 187 HB2 LYS 25 HB2 LYS 25 3.714 10.408 3.954 188 HB3 LYS 25 HB1 LYS 25 3.522 9.660 2.377 189 HG2 LYS 25 HG2 LYS 25 1.472 8.633 3.029 190 HG3 LYS 25 HG1 LYS 25 1.705 9.117 4.711 191 HD2 LYS 25 HD2 LYS 25 1.549 11.469 4.057 192 HD3 LYS 25 HD1 LYS 25 1.332 10.988 2.375 193 HE2 LYS 25 HE2 LYS 25 -0.779 11.578 3.578 194 HE3 LYS 25 HE1 LYS 25 -0.767 9.972 2.851 195 HZ1 LYS 25 HZ1 LYS 25 -0.442 8.976 4.938 196 HZ2 LYS 25 HZ2 LYS 25 -1.676 10.114 5.166 197 HZ3 LYS 25 HZ3 LYS 25 -0.105 10.454 5.697 198 H ALA 26 HN ALA 26 5.230 6.542 5.320 199 HA ALA 26 HA ALA 26 5.495 6.034 7.515 200 HB1 ALA 26 HB1 ALA 26 6.241 7.815 8.961 201 HB2 ALA 26 HB2 ALA 26 5.578 9.022 7.860 202 HB3 ALA 26 HB3 ALA 26 6.931 8.012 7.348 203 H GLY 27 HN GLY 27 3.327 5.158 7.622 204 HA2 GLY 27 HA2 GLY 27 1.686 4.868 9.330 205 HA3 GLY 27 HA1 GLY 27 1.741 6.601 9.631 206 H ASP 28 HN ASP 28 1.301 4.654 6.697 207 HA ASP 28 HA ASP 28 -0.994 6.384 6.073 208 HB2 ASP 28 HB2 ASP 28 1.110 6.428 4.608 209 HB3 ASP 28 HB1 ASP 28 0.591 4.846 4.033 210 H ILE 29 HN ILE 29 -2.492 5.267 4.397 211 HA ILE 29 HA ILE 29 -3.331 2.775 5.709 212 HB ILE 29 HB ILE 29 -4.960 4.815 4.189 213 HG12 ILE 29 HG12 ILE 29 -4.267 5.643 6.366 214 HG13 ILE 29 HG11 ILE 29 -5.987 5.278 6.386 215 HG21 ILE 29 HG21 ILE 29 -5.835 2.303 5.596 216 HG22 ILE 29 HG22 ILE 29 -5.887 2.614 3.861 217 HG23 ILE 29 HG23 ILE 29 -6.920 3.536 4.954 218 HD11 ILE 29 HD11 ILE 29 -4.958 4.561 8.440 219 HD12 ILE 29 HD12 ILE 29 -3.787 3.590 7.549 220 HD13 ILE 29 HD13 ILE 29 -5.496 3.153 7.523 221 H ILE 30 HN ILE 30 -2.789 1.046 4.574 222 HA ILE 30 HA ILE 30 -3.054 1.150 1.638 223 HB ILE 30 HB ILE 30 -1.413 -0.865 3.157 224 HG12 ILE 30 HG12 ILE 30 -0.461 1.751 1.973 225 HG13 ILE 30 HG11 ILE 30 -0.580 1.394 3.692 226 HG21 ILE 30 HG21 ILE 30 -0.285 -1.123 0.995 227 HG22 ILE 30 HG22 ILE 30 -1.369 0.079 0.296 228 HG23 ILE 30 HG23 ILE 30 -2.012 -1.456 0.879 229 HD11 ILE 30 HD11 ILE 30 1.226 0.032 1.711 230 HD12 ILE 30 HD12 ILE 30 1.077 -0.392 3.417 231 HD13 ILE 30 HD13 ILE 30 1.703 1.190 2.953 232 H THR 31 HN THR 31 -4.527 -0.168 0.734 233 HA THR 31 HA THR 31 -5.765 -2.214 2.454 234 HB THR 31 HB THR 31 -6.889 -1.156 -0.142 235 HG1 THR 31 HG1 THR 31 -6.497 0.390 1.772 236 HG21 THR 31 HG21 THR 31 -8.147 -2.535 2.237 237 HG22 THR 31 HG22 THR 31 -7.838 -3.263 0.661 238 HG23 THR 31 HG23 THR 31 -9.013 -1.956 0.815 239 H VAL 32 HN VAL 32 -4.954 -4.193 2.113 240 HA VAL 32 HA VAL 32 -3.866 -4.765 -0.563 241 HB VAL 32 HB VAL 32 -2.083 -6.020 0.407 242 HG11 VAL 32 HG11 VAL 32 -0.894 -4.318 1.693 243 HG12 VAL 32 HG12 VAL 32 -2.408 -3.448 1.945 244 HG13 VAL 32 HG13 VAL 32 -1.742 -3.607 0.320 245 HG21 VAL 32 HG21 VAL 32 -1.793 -6.334 2.804 246 HG22 VAL 32 HG22 VAL 32 -3.315 -7.040 2.259 247 HG23 VAL 32 HG23 VAL 32 -3.314 -5.495 3.108 248 H LEU 33 HN LEU 33 -3.741 -7.042 -1.123 249 HA LEU 33 HA LEU 33 -5.714 -8.692 0.277 250 HB2 LEU 33 HB2 LEU 33 -6.184 -9.753 -2.013 251 HB3 LEU 33 HB1 LEU 33 -6.931 -8.222 -1.633 252 HG LEU 33 HG LEU 33 -6.150 -8.453 -3.982 253 HD11 LEU 33 HD11 LEU 33 -5.125 -6.246 -4.152 254 HD12 LEU 33 HD12 LEU 33 -4.867 -6.237 -2.408 255 HD13 LEU 33 HD13 LEU 33 -6.505 -6.258 -3.056 256 HD21 LEU 33 HD21 LEU 33 -4.116 -9.725 -3.605 257 HD22 LEU 33 HD22 LEU 33 -3.391 -8.340 -2.788 258 HD23 LEU 33 HD23 LEU 33 -3.787 -8.246 -4.504 259 H GLU 34 HN GLU 34 -5.375 -11.043 -0.063 260 HA GLU 34 HA GLU 34 -2.479 -11.529 -0.037 261 HB2 GLU 34 HB2 GLU 34 -3.630 -12.015 2.076 262 HB3 GLU 34 HB1 GLU 34 -4.704 -13.130 1.237 263 HG2 GLU 34 HG2 GLU 34 -2.635 -14.416 0.572 264 HG3 GLU 34 HG1 GLU 34 -1.751 -13.408 1.716 265 H GLN 35 HN GLN 35 -1.710 -12.483 -1.764 266 HA GLN 35 HA GLN 35 -3.412 -14.419 -3.185 267 HB2 GLN 35 HB2 GLN 35 -1.235 -12.618 -4.263 268 HB3 GLN 35 HB1 GLN 35 -2.004 -13.898 -5.192 269 HG2 GLN 35 HG2 GLN 35 -3.469 -11.580 -3.964 270 HG3 GLN 35 HG1 GLN 35 -2.912 -11.639 -5.636 271 HE21 GLN 35 HE21 GLN 35 -5.145 -12.961 -3.308 272 HE22 GLN 35 HE22 GLN 35 -6.204 -13.702 -4.459 273 H HIS 36 HN HIS 36 0.048 -13.640 -2.913 274 HA HIS 36 HA HIS 36 0.563 -16.508 -2.466 275 HB2 HIS 36 HB2 HIS 36 2.481 -14.458 -3.593 276 HB3 HIS 36 HB1 HIS 36 2.742 -16.193 -3.481 277 HD2 HIS 36 HD2 HIS 36 0.642 -17.618 -5.115 278 HE1 HIS 36 HE1 HIS 36 0.847 -14.497 -7.961 279 HE2 HIS 36 HE2 HIS 36 0.192 -16.911 -7.570 280 HA PRO 37 HA PRO 37 1.658 -14.601 1.566 281 HB2 PRO 37 HB2 PRO 37 1.781 -17.474 2.284 282 HB3 PRO 37 HB1 PRO 37 0.920 -16.153 3.080 283 HG2 PRO 37 HG2 PRO 37 -0.397 -17.992 1.664 284 HG3 PRO 37 HG1 PRO 37 -0.893 -16.290 1.642 285 HD2 PRO 37 HD2 PRO 37 0.640 -17.845 -0.407 286 HD3 PRO 37 HD1 PRO 37 -0.634 -16.629 -0.636 287 H ASP 38 HN ASP 38 3.135 -17.052 -0.371 288 HA ASP 38 HA ASP 38 5.718 -16.739 0.979 289 HB2 ASP 38 HB2 ASP 38 6.396 -18.679 -0.433 290 HB3 ASP 38 HB1 ASP 38 5.035 -19.035 0.624 291 H GLY 39 HN GLY 39 4.226 -14.914 -1.041 292 HA2 GLY 39 HA2 GLY 39 6.584 -14.404 -2.704 293 HA3 GLY 39 HA1 GLY 39 5.040 -14.655 -3.504 294 H ARG 40 HN ARG 40 4.400 -12.745 -4.248 295 HA ARG 40 HA ARG 40 4.586 -10.427 -2.445 296 HB2 ARG 40 HB2 ARG 40 4.780 -9.009 -4.433 297 HB3 ARG 40 HB1 ARG 40 6.080 -10.188 -4.361 298 HG2 ARG 40 HG2 ARG 40 4.950 -11.568 -6.009 299 HG3 ARG 40 HG1 ARG 40 3.601 -10.432 -6.054 300 HD2 ARG 40 HD2 ARG 40 5.096 -10.099 -7.945 301 HD3 ARG 40 HD1 ARG 40 5.099 -8.691 -6.886 302 HE ARG 40 HE ARG 40 7.207 -10.005 -5.958 303 HH11 ARG 40 HH11 ARG 40 6.252 -9.393 -9.270 304 HH12 ARG 40 HH12 ARG 40 7.880 -9.350 -9.868 305 HH21 ARG 40 HH21 ARG 40 9.349 -9.945 -6.740 306 HH22 ARG 40 HH22 ARG 40 9.640 -9.656 -8.424 307 H TRP 41 HN TRP 41 2.891 -8.976 -2.416 308 HA TRP 41 HA TRP 41 0.375 -9.875 -3.663 309 HB2 TRP 41 HB2 TRP 41 0.673 -8.190 -1.167 310 HB3 TRP 41 HB1 TRP 41 -0.822 -8.823 -1.835 311 HD1 TRP 41 HD1 TRP 41 1.007 -11.781 -2.160 312 HE1 TRP 41 HE1 TRP 41 0.956 -13.257 -0.054 313 HE3 TRP 41 HE3 TRP 41 -0.561 -8.296 1.224 314 HZ2 TRP 41 HZ2 TRP 41 0.317 -12.976 2.690 315 HZ3 TRP 41 HZ3 TRP 41 -0.873 -8.973 3.562 316 HH2 TRP 41 HH2 TRP 41 -0.445 -11.266 4.281 317 H LYS 42 HN LYS 42 -1.108 -8.044 -4.181 318 HA LYS 42 HA LYS 42 0.363 -5.557 -4.686 319 HB2 LYS 42 HB2 LYS 42 -1.353 -5.008 -6.363 320 HB3 LYS 42 HB1 LYS 42 -0.510 -6.498 -6.752 321 HG2 LYS 42 HG2 LYS 42 -2.381 -7.816 -6.059 322 HG3 LYS 42 HG1 LYS 42 -3.210 -6.391 -5.431 323 HD2 LYS 42 HD2 LYS 42 -3.383 -5.466 -7.664 324 HD3 LYS 42 HD1 LYS 42 -2.462 -6.818 -8.323 325 HE2 LYS 42 HE2 LYS 42 -5.091 -7.130 -6.886 326 HE3 LYS 42 HE1 LYS 42 -4.952 -6.956 -8.635 327 HZ1 LYS 42 HZ1 LYS 42 -3.665 -8.968 -8.729 328 HZ2 LYS 42 HZ2 LYS 42 -5.113 -9.282 -7.914 329 HZ3 LYS 42 HZ3 LYS 42 -3.671 -9.115 -7.044 330 H GLY 43 HN GLY 43 -0.405 -3.670 -3.860 331 HA2 GLY 43 HA2 GLY 43 -2.847 -3.849 -2.220 332 HA3 GLY 43 HA1 GLY 43 -1.355 -3.222 -1.534 333 H CYS 44 HN CYS 44 -3.929 -1.920 -1.850 334 HA CYS 44 HA CYS 44 -3.259 0.188 -3.784 335 HB2 CYS 44 HB2 CYS 44 -5.876 -0.383 -2.376 336 HB3 CYS 44 HB1 CYS 44 -5.612 0.842 -3.613 337 HG CYS 44 HG CYS 44 -5.831 -0.680 -5.693 338 H ILE 45 HN ILE 45 -3.271 2.344 -3.159 339 HA ILE 45 HA ILE 45 -2.858 2.794 -0.286 340 HB ILE 45 HB ILE 45 -2.107 4.484 -2.685 341 HG12 ILE 45 HG12 ILE 45 -0.729 2.459 -2.376 342 HG13 ILE 45 HG11 ILE 45 0.193 3.934 -2.110 343 HG21 ILE 45 HG21 ILE 45 -2.649 5.912 -0.793 344 HG22 ILE 45 HG22 ILE 45 -0.912 5.928 -1.107 345 HG23 ILE 45 HG23 ILE 45 -1.557 4.984 0.236 346 HD11 ILE 45 HD11 ILE 45 -0.068 3.625 0.318 347 HD12 ILE 45 HD12 ILE 45 0.782 2.290 -0.459 348 HD13 ILE 45 HD13 ILE 45 -0.907 2.106 0.008 349 H HIS 46 HN HIS 46 -4.154 4.172 0.852 350 HA HIS 46 HA HIS 46 -6.498 5.177 -0.617 351 HB2 HIS 46 HB2 HIS 46 -7.001 3.653 1.237 352 HB3 HIS 46 HB1 HIS 46 -6.099 4.678 2.347 353 HD2 HIS 46 HD2 HIS 46 -7.382 7.025 3.140 354 HE1 HIS 46 HE1 HIS 46 -11.102 5.977 1.423 355 HE2 HIS 46 HE2 HIS 46 -9.869 7.685 2.832 356 H ASP 47 HN ASP 47 -6.439 7.230 -1.150 357 HA ASP 47 HA ASP 47 -4.600 9.092 -0.136 358 HB2 ASP 47 HB2 ASP 47 -5.973 10.786 -1.366 359 HB3 ASP 47 HB1 ASP 47 -5.471 9.414 -2.339 360 H ASN 48 HN ASN 48 -4.670 9.228 2.017 361 HA ASN 48 HA ASN 48 -7.141 10.102 3.329 362 HB2 ASN 48 HB2 ASN 48 -5.933 9.539 5.429 363 HB3 ASN 48 HB1 ASN 48 -6.053 8.169 4.331 364 HD21 ASN 48 HD21 ASN 48 -4.195 7.492 3.194 365 HD22 ASN 48 HD22 ASN 48 -2.598 7.903 3.754 366 H ARG 49 HN ARG 49 -4.685 11.487 1.816 367 HA ARG 49 HA ARG 49 -4.945 14.053 2.857 368 HB2 ARG 49 HB2 ARG 49 -3.774 13.224 4.841 369 HB3 ARG 49 HB1 ARG 49 -2.478 12.596 3.836 370 HG2 ARG 49 HG2 ARG 49 -1.922 14.886 3.142 371 HG3 ARG 49 HG1 ARG 49 -3.195 15.496 4.199 372 HD2 ARG 49 HD2 ARG 49 -2.055 14.554 6.137 373 HD3 ARG 49 HD1 ARG 49 -0.800 13.894 5.090 374 HE ARG 49 HE ARG 49 -0.899 16.626 4.610 375 HH11 ARG 49 HH11 ARG 49 -0.166 14.497 7.296 376 HH12 ARG 49 HH12 ARG 49 0.934 15.610 8.042 377 HH21 ARG 49 HH21 ARG 49 0.550 18.091 5.593 378 HH22 ARG 49 HH22 ARG 49 1.329 17.658 7.083 379 H THR 50 HN THR 50 -2.376 11.912 1.698 380 HA THR 50 HA THR 50 -2.330 13.139 -0.881 381 HB THR 50 HB THR 50 -1.000 14.808 0.275 382 HG1 THR 50 HG1 THR 50 -0.198 14.392 -1.752 383 HG21 THR 50 HG21 THR 50 1.074 14.247 1.438 384 HG22 THR 50 HG22 THR 50 0.771 12.534 1.167 385 HG23 THR 50 HG23 THR 50 -0.307 13.465 2.205 386 H GLY 51 HN GLY 51 -1.366 11.804 -2.380 387 HA2 GLY 51 HA2 GLY 51 0.424 9.974 -2.551 388 HA3 GLY 51 HA1 GLY 51 -0.546 9.180 -1.318 389 H ASN 52 HN ASN 52 -2.993 10.346 -2.578 390 HA ASN 52 HA ASN 52 -4.589 9.839 -4.099 391 HB2 ASN 52 HB2 ASN 52 -2.186 9.137 -5.790 392 HB3 ASN 52 HB1 ASN 52 -3.838 9.132 -6.399 393 HD21 ASN 52 HD21 ASN 52 -1.535 10.766 -7.178 394 HD22 ASN 52 HD22 ASN 52 -2.037 12.411 -6.975 395 H ASP 53 HN ASP 53 -5.132 7.854 -5.768 396 HA ASP 53 HA ASP 53 -4.961 5.465 -4.068 397 HB2 ASP 53 HB2 ASP 53 -7.236 6.224 -4.607 398 HB3 ASP 53 HB1 ASP 53 -6.867 6.157 -6.323 399 H ARG 54 HN ARG 54 -3.225 4.351 -4.633 400 HA ARG 54 HA ARG 54 -2.832 3.701 -7.471 401 HB2 ARG 54 HB2 ARG 54 -0.627 4.349 -5.501 402 HB3 ARG 54 HB1 ARG 54 -0.405 3.872 -7.176 403 HG2 ARG 54 HG2 ARG 54 -1.714 6.406 -6.217 404 HG3 ARG 54 HG1 ARG 54 -0.088 6.261 -6.883 405 HD2 ARG 54 HD2 ARG 54 -1.082 5.436 -8.999 406 HD3 ARG 54 HD1 ARG 54 -2.685 5.714 -8.317 407 HE ARG 54 HE ARG 54 -0.789 7.946 -8.504 408 HH11 ARG 54 HH11 ARG 54 -3.777 6.431 -9.536 409 HH12 ARG 54 HH12 ARG 54 -4.384 7.864 -10.304 410 HH21 ARG 54 HH21 ARG 54 -1.584 9.824 -9.505 411 HH22 ARG 54 HH22 ARG 54 -3.128 9.793 -10.297 412 H VAL 55 HN VAL 55 -1.725 1.678 -7.830 413 HA VAL 55 HA VAL 55 -1.889 -0.131 -5.517 414 HB VAL 55 HB VAL 55 -3.501 -0.699 -7.289 415 HG11 VAL 55 HG11 VAL 55 -1.075 -1.098 -9.034 416 HG12 VAL 55 HG12 VAL 55 -2.308 0.147 -9.228 417 HG13 VAL 55 HG13 VAL 55 -2.727 -1.550 -9.453 418 HG21 VAL 55 HG21 VAL 55 -2.627 -2.484 -5.902 419 HG22 VAL 55 HG22 VAL 55 -1.255 -2.689 -6.992 420 HG23 VAL 55 HG23 VAL 55 -2.886 -3.068 -7.548 421 H GLY 56 HN GLY 56 -0.146 -1.331 -4.984 422 HA2 GLY 56 HA2 GLY 56 2.168 -1.295 -6.808 423 HA3 GLY 56 HA1 GLY 56 2.372 -0.790 -5.138 424 H TYR 57 HN TYR 57 3.841 -2.894 -6.188 425 HA TYR 57 HA TYR 57 2.538 -5.266 -5.036 426 HB2 TYR 57 HB2 TYR 57 4.826 -5.111 -7.012 427 HB3 TYR 57 HB1 TYR 57 4.117 -6.595 -6.381 428 HD1 TYR 57 HD1 TYR 57 2.006 -7.406 -7.198 429 HD2 TYR 57 HD2 TYR 57 3.569 -3.702 -8.583 430 HE1 TYR 57 HE1 TYR 57 0.360 -7.404 -9.021 431 HE2 TYR 57 HE2 TYR 57 1.927 -3.690 -10.413 432 HH TYR 57 HH TYR 57 -0.750 -5.751 -10.491 433 H PHE 58 HN PHE 58 3.443 -6.299 -3.357 434 HA PHE 58 HA PHE 58 6.135 -5.557 -2.483 435 HB2 PHE 58 HB2 PHE 58 5.384 -4.986 -0.228 436 HB3 PHE 58 HB1 PHE 58 4.615 -3.930 -1.405 437 HD1 PHE 58 HD1 PHE 58 2.245 -4.535 -2.148 438 HD2 PHE 58 HD2 PHE 58 4.097 -6.167 1.318 439 HE1 PHE 58 HE1 PHE 58 0.037 -5.118 -1.245 440 HE2 PHE 58 HE2 PHE 58 1.889 -6.750 2.226 441 HZ PHE 58 HZ PHE 58 -0.124 -6.269 0.957 442 HA PRO 59 HA PRO 59 6.208 -9.861 -1.422 443 HB2 PRO 59 HB2 PRO 59 8.340 -9.903 0.227 444 HB3 PRO 59 HB1 PRO 59 8.499 -9.630 -1.514 445 HG2 PRO 59 HG2 PRO 59 8.477 -7.631 0.719 446 HG3 PRO 59 HG1 PRO 59 9.560 -7.727 -0.679 447 HD2 PRO 59 HD2 PRO 59 7.447 -6.039 -0.589 448 HD3 PRO 59 HD1 PRO 59 8.023 -6.769 -2.099 449 H SER 60 HN SER 60 4.210 -8.584 -0.034 450 HA SER 60 HA SER 60 2.881 -8.637 1.776 451 HB2 SER 60 HB2 SER 60 2.837 -10.656 3.116 452 HB3 SER 60 HB1 SER 60 3.105 -11.072 1.428 453 HG SER 60 HG SER 60 5.484 -10.880 2.274 454 H SER 61 HN SER 61 2.815 -8.762 4.263 455 HA SER 61 HA SER 61 3.308 -7.670 6.184 456 HB2 SER 61 HB2 SER 61 5.517 -8.293 7.161 457 HB3 SER 61 HB1 SER 61 4.599 -9.660 6.544 458 HG SER 61 HG SER 61 6.165 -8.672 4.597 459 H LEU 62 HN LEU 62 3.205 -5.736 4.435 460 HA LEU 62 HA LEU 62 5.669 -4.171 4.642 461 HB2 LEU 62 HB2 LEU 62 4.634 -4.285 2.439 462 HB3 LEU 62 HB1 LEU 62 3.127 -3.675 3.095 463 HG LEU 62 HG LEU 62 4.224 -1.530 3.610 464 HD11 LEU 62 HD11 LEU 62 6.604 -2.735 2.205 465 HD12 LEU 62 HD12 LEU 62 6.504 -2.328 3.917 466 HD13 LEU 62 HD13 LEU 62 6.442 -1.051 2.703 467 HD21 LEU 62 HD21 LEU 62 3.044 -1.807 1.504 468 HD22 LEU 62 HD22 LEU 62 4.509 -2.434 0.748 469 HD23 LEU 62 HD23 LEU 62 4.447 -0.759 1.298 470 H GLY 63 HN GLY 63 2.280 -4.152 5.563 471 HA2 GLY 63 HA2 GLY 63 2.900 -1.973 7.448 472 HA3 GLY 63 HA1 GLY 63 1.402 -1.996 6.530 473 H GLU 64 HN GLU 64 1.188 -1.805 9.175 474 HA GLU 64 HA GLU 64 0.868 -4.434 10.350 475 HB2 GLU 64 HB2 GLU 64 1.734 -2.562 11.684 476 HB3 GLU 64 HB1 GLU 64 0.233 -1.685 11.427 477 HG2 GLU 64 HG2 GLU 64 -0.993 -3.194 12.753 478 HG3 GLU 64 HG1 GLU 64 0.329 -4.362 12.772 479 H ALA 65 HN ALA 65 -0.910 -5.590 10.080 480 HA ALA 65 HA ALA 65 -3.139 -4.511 8.670 481 HB1 ALA 65 HB1 ALA 65 -4.048 -6.740 8.734 482 HB2 ALA 65 HB2 ALA 65 -2.878 -7.216 9.966 483 HB3 ALA 65 HB3 ALA 65 -2.330 -6.813 8.338 484 H ILE 66 HN ILE 66 -4.984 -3.748 9.383 485 HA ILE 66 HA ILE 66 -5.709 -4.204 12.205 486 HB ILE 66 HB ILE 66 -7.036 -2.150 12.104 487 HG12 ILE 66 HG12 ILE 66 -5.898 -1.805 9.317 488 HG13 ILE 66 HG11 ILE 66 -7.568 -2.231 9.681 489 HG21 ILE 66 HG21 ILE 66 -4.766 -1.954 12.875 490 HG22 ILE 66 HG22 ILE 66 -5.163 -0.535 11.906 491 HG23 ILE 66 HG23 ILE 66 -4.173 -1.821 11.219 492 HD11 ILE 66 HD11 ILE 66 -6.195 0.330 10.465 493 HD12 ILE 66 HD12 ILE 66 -7.878 -0.089 10.793 494 HD13 ILE 66 HD13 ILE 66 -7.330 0.129 9.130 495 H VAL 67 HN VAL 67 -6.317 -5.124 9.134 496 HA VAL 67 HA VAL 67 -7.952 -6.221 8.029 497 HB VAL 67 HB VAL 67 -9.208 -6.670 10.740 498 HG11 VAL 67 HG11 VAL 67 -9.418 -8.217 8.156 499 HG12 VAL 67 HG12 VAL 67 -10.680 -7.215 8.875 500 HG13 VAL 67 HG13 VAL 67 -10.146 -8.685 9.695 501 HG21 VAL 67 HG21 VAL 67 -6.876 -7.372 10.775 502 HG22 VAL 67 HG22 VAL 67 -7.119 -8.305 9.300 503 HG23 VAL 67 HG23 VAL 67 -7.944 -8.775 10.787 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 -9.914 -11.244 8.453 2 H2 GLY 1 HT2 GLY 1 -9.465 -12.792 7.956 3 H3 GLY 1 HT3 GLY 1 -10.102 -11.699 6.837 4 HA2 GLY 1 HA1 GLY 1 -8.190 -10.271 7.073 5 HA3 GLY 1 HA2 GLY 1 -7.539 -11.365 8.282 6 H SER 2 HN SER 2 -9.064 -13.259 6.061 7 HA SER 2 HA SER 2 -6.520 -13.909 4.786 8 HB2 SER 2 HB2 SER 2 -9.139 -15.426 4.673 9 HB3 SER 2 HB1 SER 2 -7.539 -16.025 4.235 10 HG SER 2 HG SER 2 -6.964 -16.095 6.340 11 H HIS 3 HN HIS 3 -6.179 -13.751 2.620 12 HA HIS 3 HA HIS 3 -6.480 -13.279 0.426 13 HB2 HIS 3 HB2 HIS 3 -9.395 -13.639 1.098 14 HB3 HIS 3 HB1 HIS 3 -8.825 -13.274 -0.527 15 HD2 HIS 3 HD2 HIS 3 -8.399 -16.152 2.128 16 HE1 HIS 3 HE1 HIS 3 -7.755 -17.663 -1.767 17 HE2 HIS 3 HE2 HIS 3 -7.707 -18.205 0.705 18 H MET 4 HN MET 4 -7.597 -11.280 2.868 19 HA MET 4 HA MET 4 -7.094 -8.924 1.336 20 HB2 MET 4 HB2 MET 4 -9.337 -9.208 0.543 21 HB3 MET 4 HB1 MET 4 -9.929 -9.559 2.160 22 HG2 MET 4 HG2 MET 4 -10.562 -7.323 1.412 23 HG3 MET 4 HG1 MET 4 -9.535 -7.275 2.841 24 HE1 MET 4 HE1 MET 4 -9.786 -6.559 -1.016 25 HE2 MET 4 HE2 MET 4 -8.595 -7.856 -0.936 26 HE3 MET 4 HE3 MET 4 -8.102 -6.234 -1.424 27 H LEU 5 HN LEU 5 -6.225 -7.464 2.669 28 HA LEU 5 HA LEU 5 -7.203 -7.162 5.370 29 HB2 LEU 5 HB2 LEU 5 -5.052 -7.504 6.464 30 HB3 LEU 5 HB1 LEU 5 -5.607 -8.974 5.692 31 HG LEU 5 HG LEU 5 -3.615 -7.174 4.339 32 HD11 LEU 5 HD11 LEU 5 -1.838 -8.579 5.274 33 HD12 LEU 5 HD12 LEU 5 -3.028 -9.393 6.289 34 HD13 LEU 5 HD13 LEU 5 -2.693 -7.678 6.525 35 HD21 LEU 5 HD21 LEU 5 -4.191 -10.130 4.143 36 HD22 LEU 5 HD22 LEU 5 -2.955 -9.258 3.235 37 HD23 LEU 5 HD23 LEU 5 -4.661 -8.900 2.970 38 H GLN 6 HN GLN 6 -6.624 -5.211 6.305 39 HA GLN 6 HA GLN 6 -5.306 -3.292 4.527 40 HB2 GLN 6 HB2 GLN 6 -7.550 -2.655 5.249 41 HB3 GLN 6 HB1 GLN 6 -7.094 -2.876 6.932 42 HG2 GLN 6 HG2 GLN 6 -5.397 -1.064 6.604 43 HG3 GLN 6 HG1 GLN 6 -6.126 -0.767 5.028 44 HE21 GLN 6 HE21 GLN 6 -5.941 0.959 7.385 45 HE22 GLN 6 HE22 GLN 6 -7.565 1.395 7.782 46 H VAL 7 HN VAL 7 -3.330 -2.592 5.023 47 HA VAL 7 HA VAL 7 -2.373 -3.005 7.776 48 HB VAL 7 HB VAL 7 -0.088 -3.195 6.896 49 HG11 VAL 7 HG11 VAL 7 -0.319 -5.417 5.829 50 HG12 VAL 7 HG12 VAL 7 -2.057 -5.139 5.698 51 HG13 VAL 7 HG13 VAL 7 -1.297 -5.236 7.285 52 HG21 VAL 7 HG21 VAL 7 -1.380 -3.132 4.171 53 HG22 VAL 7 HG22 VAL 7 0.309 -3.521 4.498 54 HG23 VAL 7 HG23 VAL 7 -0.308 -1.905 4.852 55 H ARG 8 HN ARG 8 -1.387 -1.346 8.796 56 HA ARG 8 HA ARG 8 -1.321 1.235 7.377 57 HB2 ARG 8 HB2 ARG 8 -1.364 0.685 10.354 58 HB3 ARG 8 HB1 ARG 8 -1.364 2.275 9.606 59 HG2 ARG 8 HG2 ARG 8 -3.526 1.744 8.551 60 HG3 ARG 8 HG1 ARG 8 -3.530 0.198 9.401 61 HD2 ARG 8 HD2 ARG 8 -3.575 2.949 10.627 62 HD3 ARG 8 HD1 ARG 8 -4.881 1.769 10.619 63 HE ARG 8 HE ARG 8 -2.350 1.114 11.952 64 HH11 ARG 8 HH11 ARG 8 -5.779 1.776 12.140 65 HH12 ARG 8 HH12 ARG 8 -5.920 1.244 13.784 66 HH21 ARG 8 HH21 ARG 8 -2.533 0.413 14.122 67 HH22 ARG 8 HH22 ARG 8 -4.082 0.455 14.906 68 H ALA 9 HN ALA 9 0.643 1.726 6.662 69 HA ALA 9 HA ALA 9 2.960 0.628 8.100 70 HB1 ALA 9 HB1 ALA 9 4.176 0.858 5.992 71 HB2 ALA 9 HB2 ALA 9 2.734 1.539 5.236 72 HB3 ALA 9 HB3 ALA 9 2.732 -0.133 5.798 73 H THR 10 HN THR 10 4.476 1.943 8.948 74 HA THR 10 HA THR 10 4.249 4.810 8.353 75 HB THR 10 HB THR 10 5.806 5.048 10.357 76 HG1 THR 10 HG1 THR 10 6.535 2.903 10.504 77 HG21 THR 10 HG21 THR 10 3.066 3.847 10.776 78 HG22 THR 10 HG22 THR 10 3.436 5.555 10.530 79 HG23 THR 10 HG23 THR 10 3.980 4.734 11.993 80 H LYS 11 HN LYS 11 5.362 5.075 6.533 81 HA LYS 11 HA LYS 11 8.194 5.050 6.558 82 HB2 LYS 11 HB2 LYS 11 7.742 2.631 6.179 83 HB3 LYS 11 HB1 LYS 11 6.804 3.045 4.754 84 HG2 LYS 11 HG2 LYS 11 8.774 3.883 3.648 85 HG3 LYS 11 HG1 LYS 11 9.737 3.623 5.103 86 HD2 LYS 11 HD2 LYS 11 8.297 1.432 3.615 87 HD3 LYS 11 HD1 LYS 11 9.991 1.848 3.356 88 HE2 LYS 11 HE2 LYS 11 10.521 1.299 5.646 89 HE3 LYS 11 HE1 LYS 11 8.821 1.021 6.010 90 HZ1 LYS 11 HZ1 LYS 11 8.825 -0.840 4.488 91 HZ2 LYS 11 HZ2 LYS 11 10.026 -1.048 5.655 92 HZ3 LYS 11 HZ3 LYS 11 10.441 -0.558 4.092 93 H ASP 12 HN ASP 12 9.008 6.090 4.579 94 HA ASP 12 HA ASP 12 6.873 7.360 3.014 95 HB2 ASP 12 HB2 ASP 12 9.598 8.215 3.803 96 HB3 ASP 12 HB1 ASP 12 9.090 8.659 2.176 97 H TYR 13 HN TYR 13 6.482 5.497 1.807 98 HA TYR 13 HA TYR 13 8.683 4.420 0.212 99 HB2 TYR 13 HB2 TYR 13 7.159 2.948 1.639 100 HB3 TYR 13 HB1 TYR 13 5.897 3.297 0.467 101 HD1 TYR 13 HD1 TYR 13 8.966 1.433 1.110 102 HD2 TYR 13 HD2 TYR 13 6.039 2.421 -1.813 103 HE1 TYR 13 HE1 TYR 13 9.762 -0.416 -0.299 104 HE2 TYR 13 HE2 TYR 13 6.827 0.569 -3.229 105 HH TYR 13 HH TYR 13 8.944 -1.846 -2.089 106 H CYS 14 HN CYS 14 8.700 4.476 -1.969 107 HA CYS 14 HA CYS 14 8.186 4.993 -4.104 108 HB2 CYS 14 HB2 CYS 14 6.137 3.763 -3.868 109 HB3 CYS 14 HB1 CYS 14 5.368 5.099 -3.025 110 HG CYS 14 HG CYS 14 5.464 4.444 -6.231 111 H ASN 15 HN ASN 15 5.670 7.024 -2.681 112 HA ASN 15 HA ASN 15 5.155 9.203 -3.073 113 HB2 ASN 15 HB2 ASN 15 8.068 9.384 -2.312 114 HB3 ASN 15 HB1 ASN 15 7.054 10.806 -2.530 115 HD21 ASN 15 HD21 ASN 15 8.409 9.857 -0.149 116 HD22 ASN 15 HD22 ASN 15 7.182 9.642 1.053 117 H ASN 16 HN ASN 16 5.415 7.933 -5.435 118 HA ASN 16 HA ASN 16 6.882 9.854 -7.115 119 HB2 ASN 16 HB2 ASN 16 7.967 7.623 -7.085 120 HB3 ASN 16 HB1 ASN 16 6.471 6.906 -7.668 121 HD21 ASN 16 HD21 ASN 16 7.455 6.131 -9.534 122 HD22 ASN 16 HD22 ASN 16 7.921 7.175 -10.830 123 H TYR 17 HN TYR 17 5.968 10.171 -9.271 124 HA TYR 17 HA TYR 17 3.245 10.804 -9.140 125 HB2 TYR 17 HB2 TYR 17 5.036 10.516 -11.560 126 HB3 TYR 17 HB1 TYR 17 3.437 11.249 -11.579 127 HD1 TYR 17 HD1 TYR 17 3.082 13.476 -10.718 128 HD2 TYR 17 HD2 TYR 17 6.910 11.638 -10.457 129 HE1 TYR 17 HE1 TYR 17 4.078 15.647 -10.130 130 HE2 TYR 17 HE2 TYR 17 7.916 13.804 -9.873 131 HH TYR 17 HH TYR 17 7.431 16.196 -10.134 132 H ASP 18 HN ASP 18 4.746 8.440 -11.351 133 HA ASP 18 HA ASP 18 2.365 6.759 -11.045 134 HB2 ASP 18 HB2 ASP 18 1.955 8.011 -13.060 135 HB3 ASP 18 HB1 ASP 18 3.564 7.642 -13.668 136 H LEU 19 HN LEU 19 3.020 4.902 -10.325 137 HA LEU 19 HA LEU 19 4.983 3.300 -11.643 138 HB2 LEU 19 HB2 LEU 19 6.378 4.886 -10.254 139 HB3 LEU 19 HB1 LEU 19 5.602 4.230 -8.829 140 HG LEU 19 HG LEU 19 6.537 1.984 -9.446 141 HD11 LEU 19 HD11 LEU 19 8.390 1.919 -11.031 142 HD12 LEU 19 HD12 LEU 19 8.111 3.611 -11.433 143 HD13 LEU 19 HD13 LEU 19 6.890 2.403 -11.822 144 HD21 LEU 19 HD21 LEU 19 8.527 4.205 -8.996 145 HD22 LEU 19 HD22 LEU 19 8.783 2.493 -8.649 146 HD23 LEU 19 HD23 LEU 19 7.571 3.406 -7.749 147 H THR 20 HN THR 20 5.102 1.116 -10.475 148 HA THR 20 HA THR 20 2.611 0.703 -8.972 149 HB THR 20 HB THR 20 4.475 -1.389 -10.134 150 HG1 THR 20 HG1 THR 20 2.155 -0.109 -11.157 151 HG21 THR 20 HG21 THR 20 1.670 -1.588 -9.029 152 HG22 THR 20 HG22 THR 20 3.134 -2.241 -8.293 153 HG23 THR 20 HG23 THR 20 2.545 -2.898 -9.819 154 H SER 21 HN SER 21 3.000 1.206 -6.952 155 HA SER 21 HA SER 21 4.811 -0.220 -5.301 156 HB2 SER 21 HB2 SER 21 6.081 1.982 -4.698 157 HB3 SER 21 HB1 SER 21 6.577 1.079 -6.128 158 HG SER 21 HG SER 21 4.997 2.524 -7.248 159 H LEU 22 HN LEU 22 4.604 0.494 -3.051 160 HA LEU 22 HA LEU 22 1.952 1.462 -2.516 161 HB2 LEU 22 HB2 LEU 22 4.190 0.644 -0.660 162 HB3 LEU 22 HB1 LEU 22 2.586 1.100 -0.127 163 HG LEU 22 HG LEU 22 2.637 -1.248 -0.062 164 HD11 LEU 22 HD11 LEU 22 0.612 -0.314 -1.070 165 HD12 LEU 22 HD12 LEU 22 0.976 -1.928 -1.682 166 HD13 LEU 22 HD13 LEU 22 1.327 -0.510 -2.670 167 HD21 LEU 22 HD21 LEU 22 3.768 -1.227 -2.857 168 HD22 LEU 22 HD22 LEU 22 3.342 -2.660 -1.922 169 HD23 LEU 22 HD23 LEU 22 4.649 -1.610 -1.380 170 H ASN 23 HN ASN 23 1.633 3.604 -2.705 171 HA ASN 23 HA ASN 23 3.654 5.525 -2.044 172 HB2 ASN 23 HB2 ASN 23 2.012 6.030 -3.778 173 HB3 ASN 23 HB1 ASN 23 0.705 5.892 -2.610 174 HD21 ASN 23 HD21 ASN 23 3.764 7.431 -1.848 175 HD22 ASN 23 HD22 ASN 23 3.136 9.036 -1.744 176 H VAL 24 HN VAL 24 4.051 4.680 0.093 177 HA VAL 24 HA VAL 24 2.044 5.261 2.131 178 HB VAL 24 HB VAL 24 4.833 4.157 2.501 179 HG11 VAL 24 HG11 VAL 24 4.008 3.348 4.630 180 HG12 VAL 24 HG12 VAL 24 2.410 4.011 4.287 181 HG13 VAL 24 HG13 VAL 24 3.784 5.095 4.515 182 HG21 VAL 24 HG21 VAL 24 3.630 2.675 1.026 183 HG22 VAL 24 HG22 VAL 24 2.240 2.672 2.111 184 HG23 VAL 24 HG23 VAL 24 3.760 1.937 2.623 185 H LYS 25 HN LYS 25 2.008 7.176 3.131 186 HA LYS 25 HA LYS 25 4.484 8.771 3.117 187 HB2 LYS 25 HB2 LYS 25 3.009 10.770 3.180 188 HB3 LYS 25 HB1 LYS 25 2.828 9.802 1.726 189 HG2 LYS 25 HG2 LYS 25 0.838 8.723 2.958 190 HG3 LYS 25 HG1 LYS 25 0.941 10.127 4.022 191 HD2 LYS 25 HD2 LYS 25 -0.652 10.628 2.316 192 HD3 LYS 25 HD1 LYS 25 0.799 11.575 1.985 193 HE2 LYS 25 HE2 LYS 25 0.054 10.674 -0.091 194 HE3 LYS 25 HE1 LYS 25 1.494 9.776 0.378 195 HZ1 LYS 25 HZ1 LYS 25 -0.005 8.033 1.278 196 HZ2 LYS 25 HZ2 LYS 25 -0.137 8.246 -0.399 197 HZ3 LYS 25 HZ3 LYS 25 -1.322 8.887 0.624 198 H ALA 26 HN ALA 26 4.596 7.172 5.079 199 HA ALA 26 HA ALA 26 4.826 6.934 7.321 200 HB1 ALA 26 HB1 ALA 26 5.173 8.948 8.636 201 HB2 ALA 26 HB2 ALA 26 4.492 9.928 7.337 202 HB3 ALA 26 HB3 ALA 26 6.003 9.053 7.085 203 H GLY 27 HN GLY 27 2.939 5.737 7.660 204 HA2 GLY 27 HA2 GLY 27 1.150 5.390 9.152 205 HA3 GLY 27 HA1 GLY 27 0.946 7.137 9.271 206 H ASP 28 HN ASP 28 0.998 4.797 6.614 207 HA ASP 28 HA ASP 28 -1.271 6.244 5.439 208 HB2 ASP 28 HB2 ASP 28 1.116 5.712 4.321 209 HB3 ASP 28 HB1 ASP 28 0.238 4.268 3.833 210 H ILE 29 HN ILE 29 -2.645 4.804 3.987 211 HA ILE 29 HA ILE 29 -3.418 2.436 5.568 212 HB ILE 29 HB ILE 29 -5.146 4.248 3.873 213 HG12 ILE 29 HG12 ILE 29 -4.503 5.315 5.964 214 HG13 ILE 29 HG11 ILE 29 -6.207 4.871 6.014 215 HG21 ILE 29 HG21 ILE 29 -7.036 2.945 4.737 216 HG22 ILE 29 HG22 ILE 29 -5.905 1.847 5.525 217 HG23 ILE 29 HG23 ILE 29 -5.936 1.965 3.766 218 HD11 ILE 29 HD11 ILE 29 -5.166 4.408 8.130 219 HD12 ILE 29 HD12 ILE 29 -3.937 3.415 7.346 220 HD13 ILE 29 HD13 ILE 29 -5.622 2.893 7.352 221 H ILE 30 HN ILE 30 -2.694 0.671 4.531 222 HA ILE 30 HA ILE 30 -2.881 0.613 1.595 223 HB ILE 30 HB ILE 30 -1.332 -1.298 3.329 224 HG12 ILE 30 HG12 ILE 30 -0.306 1.172 1.919 225 HG13 ILE 30 HG11 ILE 30 -0.520 1.019 3.660 226 HG21 ILE 30 HG21 ILE 30 -1.182 -0.641 0.391 227 HG22 ILE 30 HG22 ILE 30 -1.863 -2.107 1.099 228 HG23 ILE 30 HG23 ILE 30 -0.135 -1.778 1.242 229 HD11 ILE 30 HD11 ILE 30 1.370 -0.580 1.950 230 HD12 ILE 30 HD12 ILE 30 1.131 -0.790 3.686 231 HD13 ILE 30 HD13 ILE 30 1.796 0.722 3.063 232 H THR 31 HN THR 31 -4.445 -0.564 0.731 233 HA THR 31 HA THR 31 -5.668 -2.702 2.337 234 HB THR 31 HB THR 31 -6.718 -1.514 -0.239 235 HG1 THR 31 HG1 THR 31 -6.940 0.192 1.055 236 HG21 THR 31 HG21 THR 31 -7.617 -3.715 0.376 237 HG22 THR 31 HG22 THR 31 -8.848 -2.461 0.508 238 HG23 THR 31 HG23 THR 31 -8.071 -3.086 1.961 239 H VAL 32 HN VAL 32 -4.611 -4.558 1.978 240 HA VAL 32 HA VAL 32 -3.642 -5.070 -0.749 241 HB VAL 32 HB VAL 32 -1.758 -4.793 0.695 242 HG11 VAL 32 HG11 VAL 32 -1.416 -6.155 2.708 243 HG12 VAL 32 HG12 VAL 32 -3.034 -6.826 2.509 244 HG13 VAL 32 HG13 VAL 32 -2.828 -5.106 2.841 245 HG21 VAL 32 HG21 VAL 32 -0.673 -6.990 0.561 246 HG22 VAL 32 HG22 VAL 32 -1.540 -6.592 -0.923 247 HG23 VAL 32 HG23 VAL 32 -2.239 -7.734 0.229 248 H LEU 33 HN LEU 33 -3.948 -7.039 -1.674 249 HA LEU 33 HA LEU 33 -5.850 -8.749 -0.266 250 HB2 LEU 33 HB2 LEU 33 -6.222 -9.734 -2.633 251 HB3 LEU 33 HB1 LEU 33 -6.989 -8.238 -2.178 252 HG LEU 33 HG LEU 33 -6.137 -8.313 -4.514 253 HD11 LEU 33 HD11 LEU 33 -6.547 -6.183 -3.451 254 HD12 LEU 33 HD12 LEU 33 -5.143 -6.086 -4.515 255 HD13 LEU 33 HD13 LEU 33 -4.921 -6.184 -2.770 256 HD21 LEU 33 HD21 LEU 33 -3.762 -8.050 -4.949 257 HD22 LEU 33 HD22 LEU 33 -4.098 -9.586 -4.146 258 HD23 LEU 33 HD23 LEU 33 -3.418 -8.242 -3.229 259 H GLU 34 HN GLU 34 -5.560 -10.910 -0.119 260 HA GLU 34 HA GLU 34 -2.783 -11.775 -0.487 261 HB2 GLU 34 HB2 GLU 34 -3.410 -11.869 1.803 262 HB3 GLU 34 HB1 GLU 34 -4.952 -12.619 1.426 263 HG2 GLU 34 HG2 GLU 34 -3.766 -14.644 0.698 264 HG3 GLU 34 HG1 GLU 34 -2.239 -13.888 1.156 265 H GLN 35 HN GLN 35 -2.394 -13.152 -2.066 266 HA GLN 35 HA GLN 35 -4.405 -15.137 -2.790 267 HB2 GLN 35 HB2 GLN 35 -4.746 -13.149 -4.260 268 HB3 GLN 35 HB1 GLN 35 -3.102 -13.345 -4.848 269 HG2 GLN 35 HG2 GLN 35 -4.699 -14.277 -6.412 270 HG3 GLN 35 HG1 GLN 35 -3.676 -15.543 -5.736 271 HE21 GLN 35 HE21 GLN 35 -4.575 -17.054 -4.341 272 HE22 GLN 35 HE22 GLN 35 -6.285 -17.268 -4.192 273 H HIS 36 HN HIS 36 -1.135 -13.879 -3.185 274 HA HIS 36 HA HIS 36 -0.194 -16.490 -4.076 275 HB2 HIS 36 HB2 HIS 36 1.290 -13.872 -3.763 276 HB3 HIS 36 HB1 HIS 36 1.967 -15.350 -4.437 277 HD2 HIS 36 HD2 HIS 36 -0.375 -12.425 -5.418 278 HE1 HIS 36 HE1 HIS 36 0.221 -14.882 -8.808 279 HE2 HIS 36 HE2 HIS 36 -0.884 -12.775 -7.935 280 HA PRO 37 HA PRO 37 0.582 -17.317 0.292 281 HB2 PRO 37 HB2 PRO 37 1.529 -19.858 -0.135 282 HB3 PRO 37 HB1 PRO 37 -0.185 -19.449 0.006 283 HG2 PRO 37 HG2 PRO 37 1.468 -19.878 -2.450 284 HG3 PRO 37 HG1 PRO 37 -0.182 -20.426 -2.100 285 HD2 PRO 37 HD2 PRO 37 0.290 -18.301 -3.663 286 HD3 PRO 37 HD1 PRO 37 -1.105 -18.356 -2.567 287 H ASP 38 HN ASP 38 2.757 -17.343 -2.377 288 HA ASP 38 HA ASP 38 5.167 -18.043 -1.145 289 HB2 ASP 38 HB2 ASP 38 4.869 -17.757 -3.584 290 HB3 ASP 38 HB1 ASP 38 4.749 -16.018 -3.350 291 H GLY 39 HN GLY 39 3.460 -14.949 -1.287 292 HA2 GLY 39 HA2 GLY 39 3.729 -13.779 0.940 293 HA3 GLY 39 HA1 GLY 39 5.450 -13.889 0.615 294 H ARG 40 HN ARG 40 4.223 -13.365 -2.342 295 HA ARG 40 HA ARG 40 4.683 -10.489 -2.035 296 HB2 ARG 40 HB2 ARG 40 5.091 -10.515 -4.507 297 HB3 ARG 40 HB1 ARG 40 6.238 -11.447 -3.560 298 HG2 ARG 40 HG2 ARG 40 5.162 -13.510 -4.201 299 HG3 ARG 40 HG1 ARG 40 3.896 -12.616 -5.048 300 HD2 ARG 40 HD2 ARG 40 6.828 -12.518 -5.735 301 HD3 ARG 40 HD1 ARG 40 5.641 -13.526 -6.557 302 HE ARG 40 HE ARG 40 4.499 -11.246 -6.980 303 HH11 ARG 40 HH11 ARG 40 7.954 -11.817 -6.926 304 HH12 ARG 40 HH12 ARG 40 8.308 -10.547 -8.053 305 HH21 ARG 40 HH21 ARG 40 4.961 -9.574 -8.463 306 HH22 ARG 40 HH22 ARG 40 6.606 -9.257 -8.914 307 H TRP 41 HN TRP 41 2.949 -9.320 -1.882 308 HA TRP 41 HA TRP 41 0.567 -10.096 -3.441 309 HB2 TRP 41 HB2 TRP 41 0.615 -8.606 -0.812 310 HB3 TRP 41 HB1 TRP 41 -0.813 -9.131 -1.690 311 HD1 TRP 41 HD1 TRP 41 0.486 -12.162 -2.207 312 HE1 TRP 41 HE1 TRP 41 0.363 -13.807 -0.231 313 HE3 TRP 41 HE3 TRP 41 -0.191 -8.809 1.584 314 HZ2 TRP 41 HZ2 TRP 41 0.015 -13.686 2.575 315 HZ3 TRP 41 HZ3 TRP 41 -0.414 -9.648 3.879 316 HH2 TRP 41 HH2 TRP 41 -0.318 -12.040 4.366 317 H LYS 42 HN LYS 42 -0.851 -8.277 -3.995 318 HA LYS 42 HA LYS 42 0.637 -5.771 -4.353 319 HB2 LYS 42 HB2 LYS 42 -1.761 -6.835 -5.856 320 HB3 LYS 42 HB1 LYS 42 -1.072 -5.234 -6.091 321 HG2 LYS 42 HG2 LYS 42 1.086 -6.364 -6.703 322 HG3 LYS 42 HG1 LYS 42 0.200 -7.891 -6.695 323 HD2 LYS 42 HD2 LYS 42 -0.435 -5.488 -8.407 324 HD3 LYS 42 HD1 LYS 42 0.377 -6.953 -8.954 325 HE2 LYS 42 HE2 LYS 42 -1.620 -8.260 -8.400 326 HE3 LYS 42 HE1 LYS 42 -2.428 -6.790 -7.859 327 HZ1 LYS 42 HZ1 LYS 42 -1.479 -7.335 -10.620 328 HZ2 LYS 42 HZ2 LYS 42 -2.229 -5.909 -10.106 329 HZ3 LYS 42 HZ3 LYS 42 -3.087 -7.363 -10.099 330 H GLY 43 HN GLY 43 -0.072 -3.977 -3.386 331 HA2 GLY 43 HA2 GLY 43 -2.705 -4.106 -2.074 332 HA3 GLY 43 HA1 GLY 43 -1.292 -3.461 -1.250 333 H CYS 44 HN CYS 44 -3.860 -2.228 -1.929 334 HA CYS 44 HA CYS 44 -2.941 -0.100 -3.732 335 HB2 CYS 44 HB2 CYS 44 -5.122 -1.268 -4.219 336 HB3 CYS 44 HB1 CYS 44 -5.743 -0.600 -2.713 337 HG CYS 44 HG CYS 44 -6.749 1.400 -3.970 338 H ILE 45 HN ILE 45 -3.267 2.087 -3.074 339 HA ILE 45 HA ILE 45 -3.031 2.391 -0.165 340 HB ILE 45 HB ILE 45 -2.213 4.278 -2.383 341 HG12 ILE 45 HG12 ILE 45 -0.807 2.272 -2.295 342 HG13 ILE 45 HG11 ILE 45 0.089 3.693 -1.775 343 HG21 ILE 45 HG21 ILE 45 -2.824 5.479 -0.359 344 HG22 ILE 45 HG22 ILE 45 -1.084 5.561 -0.637 345 HG23 ILE 45 HG23 ILE 45 -1.730 4.467 0.586 346 HD11 ILE 45 HD11 ILE 45 0.611 1.806 -0.373 347 HD12 ILE 45 HD12 ILE 45 -1.096 1.581 0.006 348 HD13 ILE 45 HD13 ILE 45 -0.252 3.026 0.561 349 H HIS 46 HN HIS 46 -4.564 3.424 0.947 350 HA HIS 46 HA HIS 46 -6.529 5.032 -0.542 351 HB2 HIS 46 HB2 HIS 46 -7.494 3.268 0.886 352 HB3 HIS 46 HB1 HIS 46 -6.641 3.915 2.280 353 HD2 HIS 46 HD2 HIS 46 -7.844 6.022 3.552 354 HE1 HIS 46 HE1 HIS 46 -11.178 6.251 0.957 355 HE2 HIS 46 HE2 HIS 46 -10.224 6.991 3.185 356 H ASP 47 HN ASP 47 -5.764 7.023 -0.724 357 HA ASP 47 HA ASP 47 -3.710 8.001 0.981 358 HB2 ASP 47 HB2 ASP 47 -3.835 8.516 -1.427 359 HB3 ASP 47 HB1 ASP 47 -5.287 9.469 -1.133 360 H ASN 48 HN ASN 48 -3.675 9.624 2.438 361 HA ASN 48 HA ASN 48 -6.268 10.547 3.471 362 HB2 ASN 48 HB2 ASN 48 -5.124 11.046 5.554 363 HB3 ASN 48 HB1 ASN 48 -4.754 9.392 5.083 364 HD21 ASN 48 HD21 ASN 48 -2.670 8.845 4.538 365 HD22 ASN 48 HD22 ASN 48 -1.323 9.902 4.798 366 H ARG 49 HN ARG 49 -3.536 11.504 1.726 367 HA ARG 49 HA ARG 49 -3.376 14.228 2.559 368 HB2 ARG 49 HB2 ARG 49 -1.481 13.024 1.544 369 HB3 ARG 49 HB1 ARG 49 -2.371 12.894 0.036 370 HG2 ARG 49 HG2 ARG 49 -0.760 14.653 -0.145 371 HG3 ARG 49 HG1 ARG 49 -2.378 15.356 -0.128 372 HD2 ARG 49 HD2 ARG 49 -2.123 15.927 2.219 373 HD3 ARG 49 HD1 ARG 49 -0.533 15.171 2.247 374 HE ARG 49 HE ARG 49 -0.677 17.175 0.242 375 HH11 ARG 49 HH11 ARG 49 -0.350 16.727 3.692 376 HH12 ARG 49 HH12 ARG 49 0.487 18.225 3.935 377 HH21 ARG 49 HH21 ARG 49 0.422 19.147 0.549 378 HH22 ARG 49 HH22 ARG 49 0.915 19.610 2.149 379 H THR 50 HN THR 50 -4.457 12.787 -0.524 380 HA THR 50 HA THR 50 -6.717 14.580 -0.639 381 HB THR 50 HB THR 50 -4.527 14.819 -2.714 382 HG1 THR 50 HG1 THR 50 -5.030 16.159 -0.412 383 HG21 THR 50 HG21 THR 50 -5.959 16.541 -3.723 384 HG22 THR 50 HG22 THR 50 -7.215 16.182 -2.540 385 HG23 THR 50 HG23 THR 50 -6.746 14.963 -3.725 386 H GLY 51 HN GLY 51 -4.753 12.807 -3.040 387 HA2 GLY 51 HA2 GLY 51 -6.755 10.756 -3.312 388 HA3 GLY 51 HA1 GLY 51 -6.700 11.874 -4.667 389 H ASN 52 HN ASN 52 -3.952 10.857 -2.753 390 HA ASN 52 HA ASN 52 -2.614 9.902 -5.143 391 HB2 ASN 52 HB2 ASN 52 -1.671 10.057 -2.271 392 HB3 ASN 52 HB1 ASN 52 -0.666 9.606 -3.643 393 HD21 ASN 52 HD21 ASN 52 -2.249 12.173 -1.965 394 HD22 ASN 52 HD22 ASN 52 -1.485 13.476 -2.824 395 H ASP 53 HN ASP 53 -4.365 8.205 -5.274 396 HA ASP 53 HA ASP 53 -3.923 5.965 -3.428 397 HB2 ASP 53 HB2 ASP 53 -6.163 6.368 -5.427 398 HB3 ASP 53 HB1 ASP 53 -6.067 5.108 -4.206 399 H ARG 54 HN ARG 54 -2.418 4.627 -4.147 400 HA ARG 54 HA ARG 54 -2.341 3.958 -7.010 401 HB2 ARG 54 HB2 ARG 54 -0.005 4.619 -5.200 402 HB3 ARG 54 HB1 ARG 54 0.158 3.938 -6.815 403 HG2 ARG 54 HG2 ARG 54 -0.680 5.882 -7.836 404 HG3 ARG 54 HG1 ARG 54 -1.292 6.517 -6.309 405 HD2 ARG 54 HD2 ARG 54 0.950 6.873 -5.506 406 HD3 ARG 54 HD1 ARG 54 1.627 6.091 -6.932 407 HE ARG 54 HE ARG 54 0.751 7.961 -8.244 408 HH11 ARG 54 HH11 ARG 54 1.018 8.449 -4.772 409 HH12 ARG 54 HH12 ARG 54 1.193 10.165 -4.907 410 HH21 ARG 54 HH21 ARG 54 0.966 10.218 -8.403 411 HH22 ARG 54 HH22 ARG 54 1.146 11.173 -6.965 412 H VAL 55 HN VAL 55 -1.089 1.915 -7.415 413 HA VAL 55 HA VAL 55 -1.486 0.044 -5.177 414 HB VAL 55 HB VAL 55 -3.124 -0.351 -6.952 415 HG11 VAL 55 HG11 VAL 55 -2.418 -1.129 -9.173 416 HG12 VAL 55 HG12 VAL 55 -0.742 -0.778 -8.747 417 HG13 VAL 55 HG13 VAL 55 -1.916 0.533 -8.853 418 HG21 VAL 55 HG21 VAL 55 -2.338 -2.271 -5.682 419 HG22 VAL 55 HG22 VAL 55 -1.016 -2.506 -6.823 420 HG23 VAL 55 HG23 VAL 55 -2.685 -2.732 -7.347 421 H GLY 56 HN GLY 56 0.114 -1.413 -4.716 422 HA2 GLY 56 HA2 GLY 56 2.432 -1.544 -6.500 423 HA3 GLY 56 HA1 GLY 56 2.702 -0.926 -4.878 424 H TYR 57 HN TYR 57 4.030 -3.164 -5.788 425 HA TYR 57 HA TYR 57 2.655 -5.395 -4.464 426 HB2 TYR 57 HB2 TYR 57 4.255 -6.857 -5.648 427 HB3 TYR 57 HB1 TYR 57 3.326 -5.866 -6.768 428 HD1 TYR 57 HD1 TYR 57 6.630 -6.676 -5.515 429 HD2 TYR 57 HD2 TYR 57 4.417 -3.926 -7.889 430 HE1 TYR 57 HE1 TYR 57 8.721 -5.878 -6.532 431 HE2 TYR 57 HE2 TYR 57 6.501 -3.124 -8.910 432 HH TYR 57 HH TYR 57 8.900 -3.031 -8.356 433 H PHE 58 HN PHE 58 3.679 -6.557 -2.828 434 HA PHE 58 HA PHE 58 6.356 -5.862 -2.013 435 HB2 PHE 58 HB2 PHE 58 5.787 -5.037 0.208 436 HB3 PHE 58 HB1 PHE 58 5.071 -4.009 -1.024 437 HD1 PHE 58 HD1 PHE 58 2.601 -4.488 -1.619 438 HD2 PHE 58 HD2 PHE 58 4.486 -5.827 1.953 439 HE1 PHE 58 HE1 PHE 58 0.399 -4.763 -0.563 440 HE2 PHE 58 HE2 PHE 58 2.289 -6.102 3.014 441 HZ PHE 58 HZ PHE 58 0.262 -5.487 1.816 442 HA PRO 59 HA PRO 59 6.148 -9.977 -0.504 443 HB2 PRO 59 HB2 PRO 59 8.280 -10.065 1.107 444 HB3 PRO 59 HB1 PRO 59 8.451 -9.811 -0.634 445 HG2 PRO 59 HG2 PRO 59 8.537 -7.808 1.588 446 HG3 PRO 59 HG1 PRO 59 9.584 -7.943 0.163 447 HD2 PRO 59 HD2 PRO 59 7.465 -6.208 0.358 448 HD3 PRO 59 HD1 PRO 59 8.097 -6.833 -1.177 449 H SER 60 HN SER 60 4.367 -8.207 0.921 450 HA SER 60 HA SER 60 2.978 -8.288 2.705 451 HB2 SER 60 HB2 SER 60 3.074 -10.726 2.335 452 HB3 SER 60 HB1 SER 60 4.466 -10.828 3.406 453 HG SER 60 HG SER 60 2.517 -11.332 4.483 454 H SER 61 HN SER 61 2.891 -8.201 5.118 455 HA SER 61 HA SER 61 3.520 -7.245 7.070 456 HB2 SER 61 HB2 SER 61 4.897 -9.395 7.013 457 HB3 SER 61 HB1 SER 61 6.266 -8.383 6.561 458 HG SER 61 HG SER 61 4.923 -8.599 8.988 459 H LEU 62 HN LEU 62 3.529 -5.432 5.056 460 HA LEU 62 HA LEU 62 5.965 -3.856 5.325 461 HB2 LEU 62 HB2 LEU 62 4.951 -4.010 3.115 462 HB3 LEU 62 HB1 LEU 62 3.441 -3.378 3.742 463 HG LEU 62 HG LEU 62 4.559 -1.224 4.222 464 HD11 LEU 62 HD11 LEU 62 6.773 -0.781 3.286 465 HD12 LEU 62 HD12 LEU 62 6.915 -2.475 2.817 466 HD13 LEU 62 HD13 LEU 62 6.836 -2.037 4.523 467 HD21 LEU 62 HD21 LEU 62 4.768 -0.500 1.893 468 HD22 LEU 62 HD22 LEU 62 3.361 -1.538 2.129 469 HD23 LEU 62 HD23 LEU 62 4.818 -2.188 1.376 470 H GLY 63 HN GLY 63 2.648 -3.931 6.359 471 HA2 GLY 63 HA2 GLY 63 3.226 -1.774 8.250 472 HA3 GLY 63 HA1 GLY 63 1.799 -1.645 7.230 473 H GLU 64 HN GLU 64 1.239 -1.541 9.761 474 HA GLU 64 HA GLU 64 0.930 -4.087 11.033 475 HB2 GLU 64 HB2 GLU 64 -0.287 -1.395 11.665 476 HB3 GLU 64 HB1 GLU 64 -0.390 -2.811 12.700 477 HG2 GLU 64 HG2 GLU 64 2.156 -1.421 11.893 478 HG3 GLU 64 HG1 GLU 64 1.334 -1.243 13.441 479 H ALA 65 HN ALA 65 -0.531 -5.547 10.491 480 HA ALA 65 HA ALA 65 -2.714 -4.873 8.744 481 HB1 ALA 65 HB1 ALA 65 -2.036 -7.515 10.027 482 HB2 ALA 65 HB2 ALA 65 -1.441 -6.957 8.465 483 HB3 ALA 65 HB3 ALA 65 -3.164 -7.257 8.696 484 H ILE 66 HN ILE 66 -4.513 -4.033 9.478 485 HA ILE 66 HA ILE 66 -5.540 -4.933 12.087 486 HB ILE 66 HB ILE 66 -6.901 -2.883 12.119 487 HG12 ILE 66 HG12 ILE 66 -5.361 -2.095 9.633 488 HG13 ILE 66 HG11 ILE 66 -7.047 -2.600 9.646 489 HG21 ILE 66 HG21 ILE 66 -5.065 -1.302 12.516 490 HG22 ILE 66 HG22 ILE 66 -3.952 -2.403 11.705 491 HG23 ILE 66 HG23 ILE 66 -4.730 -2.888 13.210 492 HD11 ILE 66 HD11 ILE 66 -5.928 -0.185 11.045 493 HD12 ILE 66 HD12 ILE 66 -7.620 -0.682 11.027 494 HD13 ILE 66 HD13 ILE 66 -6.831 -0.181 9.530 495 H VAL 67 HN VAL 67 -5.921 -5.246 8.810 496 HA VAL 67 HA VAL 67 -7.418 -6.288 7.483 497 HB VAL 67 HB VAL 67 -8.870 -6.980 10.037 498 HG11 VAL 67 HG11 VAL 67 -10.344 -7.136 8.106 499 HG12 VAL 67 HG12 VAL 67 -9.934 -8.747 8.697 500 HG13 VAL 67 HG13 VAL 67 -9.148 -8.111 7.253 501 HG21 VAL 67 HG21 VAL 67 -6.892 -8.554 8.391 502 HG22 VAL 67 HG22 VAL 67 -7.767 -9.155 9.798 503 HG23 VAL 67 HG23 VAL 67 -6.594 -7.850 9.979 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 -7.459 -19.381 -0.231 2 H2 GLY 1 HT2 GLY 1 -8.278 -19.216 1.237 3 H3 GLY 1 HT3 GLY 1 -6.792 -20.019 1.187 4 HA2 GLY 1 HA1 GLY 1 -6.479 -17.834 2.097 5 HA3 GLY 1 HA2 GLY 1 -5.691 -17.963 0.531 6 H SER 2 HN SER 2 -5.778 -15.838 -0.053 7 HA SER 2 HA SER 2 -6.640 -13.915 -0.908 8 HB2 SER 2 HB2 SER 2 -7.792 -15.566 -2.424 9 HB3 SER 2 HB1 SER 2 -9.185 -15.498 -1.347 10 HG SER 2 HG SER 2 -9.767 -13.790 -2.400 11 H HIS 3 HN HIS 3 -6.639 -14.128 1.793 12 HA HIS 3 HA HIS 3 -9.131 -13.754 3.060 13 HB2 HIS 3 HB2 HIS 3 -6.349 -13.009 3.977 14 HB3 HIS 3 HB1 HIS 3 -7.776 -13.016 5.004 15 HD2 HIS 3 HD2 HIS 3 -5.233 -15.472 3.426 16 HE1 HIS 3 HE1 HIS 3 -7.903 -17.661 5.869 17 HE2 HIS 3 HE2 HIS 3 -5.675 -17.711 4.664 18 H MET 4 HN MET 4 -6.633 -11.464 2.032 19 HA MET 4 HA MET 4 -6.659 -9.245 1.589 20 HB2 MET 4 HB2 MET 4 -9.662 -9.554 1.702 21 HB3 MET 4 HB1 MET 4 -8.835 -8.080 1.222 22 HG2 MET 4 HG2 MET 4 -7.776 -9.329 -0.630 23 HG3 MET 4 HG1 MET 4 -8.727 -10.741 -0.175 24 HE1 MET 4 HE1 MET 4 -11.336 -10.903 -0.383 25 HE2 MET 4 HE2 MET 4 -12.373 -9.575 -0.899 26 HE3 MET 4 HE3 MET 4 -11.520 -9.479 0.642 27 H LEU 5 HN LEU 5 -6.063 -7.699 2.920 28 HA LEU 5 HA LEU 5 -7.517 -7.255 5.408 29 HB2 LEU 5 HB2 LEU 5 -5.441 -7.357 6.749 30 HB3 LEU 5 HB1 LEU 5 -5.918 -8.914 6.103 31 HG LEU 5 HG LEU 5 -3.883 -7.281 4.630 32 HD11 LEU 5 HD11 LEU 5 -2.112 -8.376 5.934 33 HD12 LEU 5 HD12 LEU 5 -3.333 -9.018 7.031 34 HD13 LEU 5 HD13 LEU 5 -3.079 -7.276 6.916 35 HD21 LEU 5 HD21 LEU 5 -3.063 -9.482 3.980 36 HD22 LEU 5 HD22 LEU 5 -4.779 -9.319 3.600 37 HD23 LEU 5 HD23 LEU 5 -4.273 -10.249 5.010 38 H GLN 6 HN GLN 6 -6.640 -5.308 6.555 39 HA GLN 6 HA GLN 6 -5.484 -3.441 4.605 40 HB2 GLN 6 HB2 GLN 6 -7.862 -2.970 5.048 41 HB3 GLN 6 HB1 GLN 6 -7.506 -2.815 6.761 42 HG2 GLN 6 HG2 GLN 6 -6.311 -0.838 6.455 43 HG3 GLN 6 HG1 GLN 6 -6.143 -1.105 4.722 44 HE21 GLN 6 HE21 GLN 6 -8.306 -0.116 7.268 45 HE22 GLN 6 HE22 GLN 6 -9.482 0.626 6.240 46 H VAL 7 HN VAL 7 -3.661 -2.510 5.178 47 HA VAL 7 HA VAL 7 -2.767 -2.866 7.958 48 HB VAL 7 HB VAL 7 -0.463 -2.945 7.112 49 HG11 VAL 7 HG11 VAL 7 -0.575 -5.147 6.012 50 HG12 VAL 7 HG12 VAL 7 -2.313 -4.938 5.807 51 HG13 VAL 7 HG13 VAL 7 -1.622 -5.045 7.425 52 HG21 VAL 7 HG21 VAL 7 -0.739 -1.599 5.095 53 HG22 VAL 7 HG22 VAL 7 -1.715 -2.875 4.367 54 HG23 VAL 7 HG23 VAL 7 -0.010 -3.159 4.717 55 H ARG 8 HN ARG 8 -1.624 -1.223 8.938 56 HA ARG 8 HA ARG 8 -1.754 1.393 7.607 57 HB2 ARG 8 HB2 ARG 8 -2.883 1.325 9.761 58 HB3 ARG 8 HB1 ARG 8 -1.452 0.660 10.529 59 HG2 ARG 8 HG2 ARG 8 -0.261 2.707 10.242 60 HG3 ARG 8 HG1 ARG 8 -1.549 3.374 9.238 61 HD2 ARG 8 HD2 ARG 8 -1.607 4.255 11.532 62 HD3 ARG 8 HD1 ARG 8 -3.069 3.362 11.118 63 HE ARG 8 HE ARG 8 -1.013 1.844 12.508 64 HH11 ARG 8 HH11 ARG 8 -3.933 3.759 12.767 65 HH12 ARG 8 HH12 ARG 8 -4.367 3.124 14.320 66 HH21 ARG 8 HH21 ARG 8 -1.591 0.981 14.538 67 HH22 ARG 8 HH22 ARG 8 -3.037 1.536 15.327 68 H ALA 9 HN ALA 9 0.069 2.023 6.686 69 HA ALA 9 HA ALA 9 2.570 0.814 7.647 70 HB1 ALA 9 HB1 ALA 9 1.977 0.169 5.380 71 HB2 ALA 9 HB2 ALA 9 3.443 1.152 5.392 72 HB3 ALA 9 HB3 ALA 9 1.905 1.867 4.906 73 H THR 10 HN THR 10 4.135 2.053 8.384 74 HA THR 10 HA THR 10 3.999 4.933 7.833 75 HB THR 10 HB THR 10 5.301 5.071 10.088 76 HG1 THR 10 HG1 THR 10 5.148 3.353 11.390 77 HG21 THR 10 HG21 THR 10 2.351 4.428 10.004 78 HG22 THR 10 HG22 THR 10 3.078 6.014 9.748 79 HG23 THR 10 HG23 THR 10 3.183 5.243 11.328 80 H LYS 11 HN LYS 11 5.433 5.098 6.224 81 HA LYS 11 HA LYS 11 8.206 4.953 6.828 82 HB2 LYS 11 HB2 LYS 11 7.828 2.580 6.296 83 HB3 LYS 11 HB1 LYS 11 7.114 3.032 4.755 84 HG2 LYS 11 HG2 LYS 11 9.229 3.918 3.992 85 HG3 LYS 11 HG1 LYS 11 9.960 3.585 5.563 86 HD2 LYS 11 HD2 LYS 11 9.602 1.197 5.240 87 HD3 LYS 11 HD1 LYS 11 8.823 1.515 3.688 88 HE2 LYS 11 HE2 LYS 11 11.164 0.803 3.425 89 HE3 LYS 11 HE1 LYS 11 10.887 2.430 2.805 90 HZ1 LYS 11 HZ1 LYS 11 12.931 2.293 4.088 91 HZ2 LYS 11 HZ2 LYS 11 12.072 1.777 5.449 92 HZ3 LYS 11 HZ3 LYS 11 11.827 3.332 4.833 93 H ASP 12 HN ASP 12 9.393 6.205 5.396 94 HA ASP 12 HA ASP 12 7.832 7.800 3.533 95 HB2 ASP 12 HB2 ASP 12 10.727 8.002 4.405 96 HB3 ASP 12 HB1 ASP 12 9.938 9.122 3.301 97 H TYR 13 HN TYR 13 7.468 5.856 2.213 98 HA TYR 13 HA TYR 13 9.814 4.925 0.717 99 HB2 TYR 13 HB2 TYR 13 8.358 3.300 1.994 100 HB3 TYR 13 HB1 TYR 13 7.072 3.670 0.856 101 HD1 TYR 13 HD1 TYR 13 10.692 2.753 0.673 102 HD2 TYR 13 HD2 TYR 13 6.752 2.087 -0.780 103 HE1 TYR 13 HE1 TYR 13 11.547 0.992 -0.813 104 HE2 TYR 13 HE2 TYR 13 7.595 0.326 -2.275 105 HH TYR 13 HH TYR 13 10.733 -0.980 -1.984 106 H CYS 14 HN CYS 14 9.334 7.240 -0.238 107 HA CYS 14 HA CYS 14 8.488 6.862 -2.901 108 HB2 CYS 14 HB2 CYS 14 6.538 8.432 -2.869 109 HB3 CYS 14 HB1 CYS 14 6.240 6.907 -2.043 110 HG CYS 14 HG CYS 14 6.085 7.841 0.436 111 H ASN 15 HN ASN 15 10.762 7.919 -1.551 112 HA ASN 15 HA ASN 15 10.600 10.740 -2.387 113 HB2 ASN 15 HB2 ASN 15 12.103 9.614 -0.023 114 HB3 ASN 15 HB1 ASN 15 12.277 11.259 -0.615 115 HD21 ASN 15 HD21 ASN 15 10.668 12.740 -0.230 116 HD22 ASN 15 HD22 ASN 15 9.359 12.441 0.858 117 H ASN 16 HN ASN 16 13.418 8.988 -1.214 118 HA ASN 16 HA ASN 16 14.590 9.136 -3.905 119 HB2 ASN 16 HB2 ASN 16 15.673 10.278 -1.354 120 HB3 ASN 16 HB1 ASN 16 16.789 9.679 -2.573 121 HD21 ASN 16 HD21 ASN 16 17.629 11.727 -2.904 122 HD22 ASN 16 HD22 ASN 16 16.761 12.950 -3.765 123 H TYR 17 HN TYR 17 15.959 7.511 -4.438 124 HA TYR 17 HA TYR 17 16.926 5.469 -4.426 125 HB2 TYR 17 HB2 TYR 17 17.156 5.969 -1.456 126 HB3 TYR 17 HB1 TYR 17 17.973 4.681 -2.326 127 HD1 TYR 17 HD1 TYR 17 17.964 8.209 -1.508 128 HD2 TYR 17 HD2 TYR 17 19.774 5.231 -3.950 129 HE1 TYR 17 HE1 TYR 17 19.825 9.738 -1.982 130 HE2 TYR 17 HE2 TYR 17 21.643 6.756 -4.428 131 HH TYR 17 HH TYR 17 22.139 9.660 -2.690 132 H ASP 18 HN ASP 18 14.000 5.852 -3.887 133 HA ASP 18 HA ASP 18 13.404 3.326 -2.514 134 HB2 ASP 18 HB2 ASP 18 11.610 5.659 -3.220 135 HB3 ASP 18 HB1 ASP 18 11.040 4.162 -2.500 136 H LEU 19 HN LEU 19 11.795 1.945 -3.451 137 HA LEU 19 HA LEU 19 11.799 2.005 -6.388 138 HB2 LEU 19 HB2 LEU 19 11.170 -0.264 -4.484 139 HB3 LEU 19 HB1 LEU 19 11.174 -0.375 -6.233 140 HG LEU 19 HG LEU 19 13.594 0.219 -4.529 141 HD11 LEU 19 HD11 LEU 19 12.796 -2.291 -5.991 142 HD12 LEU 19 HD12 LEU 19 12.804 -2.069 -4.242 143 HD13 LEU 19 HD13 LEU 19 14.319 -2.028 -5.144 144 HD21 LEU 19 HD21 LEU 19 14.841 -0.139 -6.617 145 HD22 LEU 19 HD22 LEU 19 13.759 1.248 -6.719 146 HD23 LEU 19 HD23 LEU 19 13.315 -0.273 -7.490 147 H THR 20 HN THR 20 9.653 1.075 -7.321 148 HA THR 20 HA THR 20 7.563 2.609 -5.976 149 HB THR 20 HB THR 20 6.402 2.263 -8.274 150 HG1 THR 20 HG1 THR 20 8.568 2.242 -9.731 151 HG21 THR 20 HG21 THR 20 8.870 3.980 -7.987 152 HG22 THR 20 HG22 THR 20 7.235 4.411 -7.481 153 HG23 THR 20 HG23 THR 20 7.604 4.205 -9.193 154 H SER 21 HN SER 21 6.671 1.339 -4.566 155 HA SER 21 HA SER 21 4.818 -0.650 -5.435 156 HB2 SER 21 HB2 SER 21 7.123 -1.460 -3.631 157 HB3 SER 21 HB1 SER 21 5.688 -2.439 -3.928 158 HG SER 21 HG SER 21 6.928 -1.598 -6.224 159 H LEU 22 HN LEU 22 3.168 0.369 -4.425 160 HA LEU 22 HA LEU 22 1.855 1.288 -2.823 161 HB2 LEU 22 HB2 LEU 22 3.834 0.014 -0.937 162 HB3 LEU 22 HB1 LEU 22 2.411 0.878 -0.399 163 HG LEU 22 HG LEU 22 1.800 -1.363 -0.264 164 HD11 LEU 22 HD11 LEU 22 0.110 -0.042 -1.408 165 HD12 LEU 22 HD12 LEU 22 0.102 -1.716 -1.963 166 HD13 LEU 22 HD13 LEU 22 0.828 -0.460 -2.963 167 HD21 LEU 22 HD21 LEU 22 2.184 -3.022 -2.016 168 HD22 LEU 22 HD22 LEU 22 3.693 -2.326 -1.426 169 HD23 LEU 22 HD23 LEU 22 3.030 -1.806 -2.974 170 H ASN 23 HN ASN 23 2.006 3.415 -3.149 171 HA ASN 23 HA ASN 23 4.351 4.932 -2.510 172 HB2 ASN 23 HB2 ASN 23 1.579 5.682 -3.422 173 HB3 ASN 23 HB1 ASN 23 2.767 6.904 -2.982 174 HD21 ASN 23 HD21 ASN 23 4.450 7.336 -4.346 175 HD22 ASN 23 HD22 ASN 23 4.583 6.655 -5.930 176 H VAL 24 HN VAL 24 4.658 4.478 -0.316 177 HA VAL 24 HA VAL 24 2.619 5.460 1.550 178 HB VAL 24 HB VAL 24 5.168 3.991 2.231 179 HG11 VAL 24 HG11 VAL 24 4.084 5.209 4.067 180 HG12 VAL 24 HG12 VAL 24 4.040 3.464 4.314 181 HG13 VAL 24 HG13 VAL 24 2.593 4.313 3.770 182 HG21 VAL 24 HG21 VAL 24 3.757 1.954 2.393 183 HG22 VAL 24 HG22 VAL 24 3.930 2.562 0.747 184 HG23 VAL 24 HG23 VAL 24 2.438 2.855 1.640 185 H LYS 25 HN LYS 25 2.883 7.321 2.639 186 HA LYS 25 HA LYS 25 5.603 8.424 2.789 187 HB2 LYS 25 HB2 LYS 25 4.413 10.730 2.715 188 HB3 LYS 25 HB1 LYS 25 4.742 9.873 1.223 189 HG2 LYS 25 HG2 LYS 25 2.583 10.751 1.002 190 HG3 LYS 25 HG1 LYS 25 2.363 9.033 1.321 191 HD2 LYS 25 HD2 LYS 25 1.671 9.432 3.538 192 HD3 LYS 25 HD1 LYS 25 2.263 11.096 3.506 193 HE2 LYS 25 HE2 LYS 25 -0.191 10.964 3.341 194 HE3 LYS 25 HE1 LYS 25 0.544 11.720 1.930 195 HZ1 LYS 25 HZ1 LYS 25 0.305 9.635 0.737 196 HZ2 LYS 25 HZ2 LYS 25 -1.197 10.171 1.315 197 HZ3 LYS 25 HZ3 LYS 25 -0.387 8.903 2.103 198 H ALA 26 HN ALA 26 4.554 6.828 4.667 199 HA ALA 26 HA ALA 26 4.485 6.609 6.910 200 HB1 ALA 26 HB1 ALA 26 6.320 8.224 6.894 201 HB2 ALA 26 HB2 ALA 26 5.304 8.385 8.328 202 HB3 ALA 26 HB3 ALA 26 5.151 9.542 7.005 203 H GLY 27 HN GLY 27 2.479 6.071 7.445 204 HA2 GLY 27 HA2 GLY 27 0.689 6.573 8.942 205 HA3 GLY 27 HA1 GLY 27 0.760 8.248 8.413 206 H ASP 28 HN ASP 28 0.753 5.399 6.355 207 HA ASP 28 HA ASP 28 -1.732 6.420 5.175 208 HB2 ASP 28 HB2 ASP 28 0.582 4.957 3.935 209 HB3 ASP 28 HB1 ASP 28 -0.971 5.127 3.123 210 H ILE 29 HN ILE 29 -3.322 5.016 4.519 211 HA ILE 29 HA ILE 29 -3.300 2.450 5.943 212 HB ILE 29 HB ILE 29 -5.709 3.893 4.823 213 HG12 ILE 29 HG12 ILE 29 -4.645 5.333 6.496 214 HG13 ILE 29 HG11 ILE 29 -6.158 4.676 7.114 215 HG21 ILE 29 HG21 ILE 29 -5.427 1.687 6.859 216 HG22 ILE 29 HG22 ILE 29 -6.027 1.522 5.209 217 HG23 ILE 29 HG23 ILE 29 -6.941 2.457 6.390 218 HD11 ILE 29 HD11 ILE 29 -4.910 3.022 8.406 219 HD12 ILE 29 HD12 ILE 29 -4.434 4.669 8.820 220 HD13 ILE 29 HD13 ILE 29 -3.394 3.684 7.789 221 H ILE 30 HN ILE 30 -3.120 0.671 4.750 222 HA ILE 30 HA ILE 30 -3.541 0.922 1.844 223 HB ILE 30 HB ILE 30 -1.578 -0.903 3.230 224 HG12 ILE 30 HG12 ILE 30 -1.084 1.754 1.871 225 HG13 ILE 30 HG11 ILE 30 -1.011 1.465 3.605 226 HG21 ILE 30 HG21 ILE 30 -1.892 -0.108 0.336 227 HG22 ILE 30 HG22 ILE 30 -2.285 -1.679 1.034 228 HG23 ILE 30 HG23 ILE 30 -0.609 -1.130 0.984 229 HD11 ILE 30 HD11 ILE 30 0.794 0.278 1.517 230 HD12 ILE 30 HD12 ILE 30 0.845 -0.100 3.239 231 HD13 ILE 30 HD13 ILE 30 1.207 1.534 2.685 232 H THR 31 HN THR 31 -4.897 -0.489 0.917 233 HA THR 31 HA THR 31 -5.956 -2.650 2.608 234 HB THR 31 HB THR 31 -7.158 -1.752 -0.005 235 HG1 THR 31 HG1 THR 31 -7.834 -0.677 2.561 236 HG21 THR 31 HG21 THR 31 -7.976 -3.839 1.012 237 HG22 THR 31 HG22 THR 31 -9.222 -2.591 0.998 238 HG23 THR 31 HG23 THR 31 -8.359 -2.961 2.493 239 H VAL 32 HN VAL 32 -4.856 -4.478 2.283 240 HA VAL 32 HA VAL 32 -3.676 -4.910 -0.365 241 HB VAL 32 HB VAL 32 -1.985 -6.262 0.687 242 HG11 VAL 32 HG11 VAL 32 -0.897 -4.578 2.114 243 HG12 VAL 32 HG12 VAL 32 -2.411 -3.676 2.175 244 HG13 VAL 32 HG13 VAL 32 -1.568 -3.879 0.641 245 HG21 VAL 32 HG21 VAL 32 -3.403 -5.752 3.297 246 HG22 VAL 32 HG22 VAL 32 -1.863 -6.590 3.099 247 HG23 VAL 32 HG23 VAL 32 -3.339 -7.293 2.440 248 H LEU 33 HN LEU 33 -3.817 -6.866 -1.384 249 HA LEU 33 HA LEU 33 -5.766 -8.721 -0.228 250 HB2 LEU 33 HB2 LEU 33 -6.362 -9.319 -2.638 251 HB3 LEU 33 HB1 LEU 33 -7.002 -7.839 -1.975 252 HG LEU 33 HG LEU 33 -6.344 -7.667 -4.343 253 HD11 LEU 33 HD11 LEU 33 -4.747 -5.906 -2.499 254 HD12 LEU 33 HD12 LEU 33 -6.417 -5.658 -3.007 255 HD13 LEU 33 HD13 LEU 33 -5.113 -5.570 -4.189 256 HD21 LEU 33 HD21 LEU 33 -3.994 -7.566 -4.968 257 HD22 LEU 33 HD22 LEU 33 -4.448 -9.161 -4.371 258 HD23 LEU 33 HD23 LEU 33 -3.537 -8.061 -3.338 259 H GLU 34 HN GLU 34 -5.554 -10.963 -0.982 260 HA GLU 34 HA GLU 34 -2.684 -11.584 -0.946 261 HB2 GLU 34 HB2 GLU 34 -4.015 -12.277 1.021 262 HB3 GLU 34 HB1 GLU 34 -5.037 -13.248 -0.026 263 HG2 GLU 34 HG2 GLU 34 -3.050 -14.585 -0.647 264 HG3 GLU 34 HG1 GLU 34 -2.111 -13.662 0.529 265 H GLN 35 HN GLN 35 -1.863 -12.349 -2.755 266 HA GLN 35 HA GLN 35 -3.663 -13.694 -4.659 267 HB2 GLN 35 HB2 GLN 35 -1.261 -11.943 -5.176 268 HB3 GLN 35 HB1 GLN 35 -2.058 -12.893 -6.418 269 HG2 GLN 35 HG2 GLN 35 -4.132 -11.652 -6.017 270 HG3 GLN 35 HG1 GLN 35 -3.296 -10.682 -4.803 271 HE21 GLN 35 HE21 GLN 35 -4.582 -9.936 -7.345 272 HE22 GLN 35 HE22 GLN 35 -3.362 -9.106 -8.248 273 H HIS 36 HN HIS 36 -0.167 -13.439 -3.994 274 HA HIS 36 HA HIS 36 0.091 -16.207 -4.928 275 HB2 HIS 36 HB2 HIS 36 2.192 -14.047 -4.680 276 HB3 HIS 36 HB1 HIS 36 2.459 -15.666 -5.320 277 HD2 HIS 36 HD2 HIS 36 0.875 -12.272 -6.357 278 HE1 HIS 36 HE1 HIS 36 0.931 -14.851 -9.709 279 HE2 HIS 36 HE2 HIS 36 0.282 -12.551 -8.867 280 HA PRO 37 HA PRO 37 0.861 -17.336 -0.635 281 HB2 PRO 37 HB2 PRO 37 1.613 -19.893 -1.925 282 HB3 PRO 37 HB1 PRO 37 0.426 -19.581 -0.654 283 HG2 PRO 37 HG2 PRO 37 -0.346 -20.170 -3.141 284 HG3 PRO 37 HG1 PRO 37 -1.227 -18.983 -2.162 285 HD2 PRO 37 HD2 PRO 37 0.742 -18.531 -4.373 286 HD3 PRO 37 HD1 PRO 37 -0.782 -17.686 -4.028 287 H ASP 38 HN ASP 38 2.949 -17.346 -3.337 288 HA ASP 38 HA ASP 38 5.364 -18.230 -2.259 289 HB2 ASP 38 HB2 ASP 38 5.279 -17.863 -4.590 290 HB3 ASP 38 HB1 ASP 38 4.697 -16.217 -4.393 291 H GLY 39 HN GLY 39 3.690 -15.163 -1.925 292 HA2 GLY 39 HA2 GLY 39 4.212 -14.271 0.398 293 HA3 GLY 39 HA1 GLY 39 5.872 -14.241 -0.171 294 H ARG 40 HN ARG 40 4.219 -13.462 -2.845 295 HA ARG 40 HA ARG 40 4.498 -10.608 -2.247 296 HB2 ARG 40 HB2 ARG 40 5.915 -11.292 -4.052 297 HB3 ARG 40 HB1 ARG 40 4.582 -12.099 -4.862 298 HG2 ARG 40 HG2 ARG 40 3.527 -10.018 -5.361 299 HG3 ARG 40 HG1 ARG 40 4.691 -9.135 -4.370 300 HD2 ARG 40 HD2 ARG 40 5.476 -10.770 -6.772 301 HD3 ARG 40 HD1 ARG 40 5.075 -9.054 -6.866 302 HE ARG 40 HE ARG 40 6.965 -9.110 -4.944 303 HH11 ARG 40 HH11 ARG 40 6.856 -10.457 -8.174 304 HH12 ARG 40 HH12 ARG 40 8.565 -10.305 -8.430 305 HH21 ARG 40 HH21 ARG 40 9.207 -8.903 -5.284 306 HH22 ARG 40 HH22 ARG 40 9.903 -9.415 -6.787 307 H TRP 41 HN TRP 41 2.784 -9.466 -1.971 308 HA TRP 41 HA TRP 41 0.252 -10.277 -3.245 309 HB2 TRP 41 HB2 TRP 41 0.566 -8.868 -0.585 310 HB3 TRP 41 HB1 TRP 41 -0.941 -9.403 -1.315 311 HD1 TRP 41 HD1 TRP 41 0.282 -12.382 -2.089 312 HE1 TRP 41 HE1 TRP 41 0.464 -14.095 -0.176 313 HE3 TRP 41 HE3 TRP 41 0.152 -9.167 1.873 314 HZ2 TRP 41 HZ2 TRP 41 0.539 -14.069 2.660 315 HZ3 TRP 41 HZ3 TRP 41 0.278 -10.079 4.145 316 HH2 TRP 41 HH2 TRP 41 0.467 -12.483 4.532 317 H LYS 42 HN LYS 42 -1.265 -8.363 -3.452 318 HA LYS 42 HA LYS 42 0.271 -5.914 -3.989 319 HB2 LYS 42 HB2 LYS 42 -2.136 -6.995 -5.458 320 HB3 LYS 42 HB1 LYS 42 -1.466 -5.390 -5.710 321 HG2 LYS 42 HG2 LYS 42 0.647 -6.379 -6.428 322 HG3 LYS 42 HG1 LYS 42 -0.025 -7.991 -6.173 323 HD2 LYS 42 HD2 LYS 42 -0.123 -7.406 -8.521 324 HD3 LYS 42 HD1 LYS 42 -1.752 -7.514 -7.857 325 HE2 LYS 42 HE2 LYS 42 -1.857 -5.091 -7.676 326 HE3 LYS 42 HE1 LYS 42 -0.203 -4.958 -8.269 327 HZ1 LYS 42 HZ1 LYS 42 -1.738 -4.533 -10.045 328 HZ2 LYS 42 HZ2 LYS 42 -2.543 -5.991 -9.774 329 HZ3 LYS 42 HZ3 LYS 42 -0.955 -6.000 -10.351 330 H GLY 43 HN GLY 43 -0.902 -3.902 -3.691 331 HA2 GLY 43 HA2 GLY 43 -3.312 -4.076 -2.064 332 HA3 GLY 43 HA1 GLY 43 -1.891 -3.408 -1.283 333 H CYS 44 HN CYS 44 -4.340 -2.099 -1.675 334 HA CYS 44 HA CYS 44 -3.669 -0.026 -3.653 335 HB2 CYS 44 HB2 CYS 44 -6.280 -0.508 -2.195 336 HB3 CYS 44 HB1 CYS 44 -6.009 0.630 -3.511 337 HG CYS 44 HG CYS 44 -5.143 -1.813 -5.090 338 H ILE 45 HN ILE 45 -3.745 2.180 -3.004 339 HA ILE 45 HA ILE 45 -3.017 2.514 -0.178 340 HB ILE 45 HB ILE 45 -2.487 4.312 -2.557 341 HG12 ILE 45 HG12 ILE 45 -1.172 2.204 -2.548 342 HG13 ILE 45 HG11 ILE 45 -0.165 3.634 -2.358 343 HG21 ILE 45 HG21 ILE 45 -1.029 5.582 -1.044 344 HG22 ILE 45 HG22 ILE 45 -1.559 4.571 0.302 345 HG23 ILE 45 HG23 ILE 45 -2.715 5.618 -0.526 346 HD11 ILE 45 HD11 ILE 45 -0.099 3.210 0.073 347 HD12 ILE 45 HD12 ILE 45 0.604 1.908 -0.887 348 HD13 ILE 45 HD13 ILE 45 -1.008 1.722 -0.197 349 H HIS 46 HN HIS 46 -4.327 3.566 1.160 350 HA HIS 46 HA HIS 46 -6.348 5.376 0.024 351 HB2 HIS 46 HB2 HIS 46 -7.355 3.619 1.363 352 HB3 HIS 46 HB1 HIS 46 -6.257 3.952 2.695 353 HD2 HIS 46 HD2 HIS 46 -8.786 6.314 0.764 354 HE1 HIS 46 HE1 HIS 46 -9.248 6.741 4.947 355 HE2 HIS 46 HE2 HIS 46 -9.891 7.670 2.682 356 H ASP 47 HN ASP 47 -5.474 7.307 -0.100 357 HA ASP 47 HA ASP 47 -3.683 8.277 1.978 358 HB2 ASP 47 HB2 ASP 47 -2.875 8.752 -0.176 359 HB3 ASP 47 HB1 ASP 47 -4.461 9.245 -0.756 360 H ASN 48 HN ASN 48 -4.155 9.875 3.391 361 HA ASN 48 HA ASN 48 -6.971 10.699 3.458 362 HB2 ASN 48 HB2 ASN 48 -4.926 10.363 5.642 363 HB3 ASN 48 HB1 ASN 48 -6.437 11.229 5.901 364 HD21 ASN 48 HD21 ASN 48 -4.983 8.132 5.209 365 HD22 ASN 48 HD22 ASN 48 -6.372 7.178 5.605 366 H ARG 49 HN ARG 49 -4.181 11.911 2.361 367 HA ARG 49 HA ARG 49 -4.423 14.586 3.409 368 HB2 ARG 49 HB2 ARG 49 -2.816 13.431 1.133 369 HB3 ARG 49 HB1 ARG 49 -2.840 15.150 1.496 370 HG2 ARG 49 HG2 ARG 49 -2.024 14.606 3.785 371 HG3 ARG 49 HG1 ARG 49 -1.846 12.930 3.263 372 HD2 ARG 49 HD2 ARG 49 -0.308 13.642 1.498 373 HD3 ARG 49 HD1 ARG 49 -0.488 15.317 2.015 374 HE ARG 49 HE ARG 49 0.354 13.902 4.238 375 HH11 ARG 49 HH11 ARG 49 1.582 14.652 1.047 376 HH12 ARG 49 HH12 ARG 49 3.247 14.574 1.532 377 HH21 ARG 49 HH21 ARG 49 2.542 13.812 4.879 378 HH22 ARG 49 HH22 ARG 49 3.793 14.089 3.706 379 H THR 50 HN THR 50 -4.863 13.215 0.137 380 HA THR 50 HA THR 50 -7.101 15.088 -0.224 381 HB THR 50 HB THR 50 -6.325 15.380 -2.622 382 HG1 THR 50 HG1 THR 50 -4.644 14.219 -3.141 383 HG21 THR 50 HG21 THR 50 -4.723 17.151 -2.056 384 HG22 THR 50 HG22 THR 50 -4.572 16.489 -0.428 385 HG23 THR 50 HG23 THR 50 -6.109 17.164 -0.968 386 H GLY 51 HN GLY 51 -5.463 12.150 -1.266 387 HA2 GLY 51 HA2 GLY 51 -7.240 10.294 -1.504 388 HA3 GLY 51 HA1 GLY 51 -7.869 11.352 -2.759 389 H ASN 52 HN ASN 52 -4.541 10.537 -1.911 390 HA ASN 52 HA ASN 52 -3.874 9.993 -4.646 391 HB2 ASN 52 HB2 ASN 52 -2.317 9.716 -2.071 392 HB3 ASN 52 HB1 ASN 52 -1.647 9.312 -3.647 393 HD21 ASN 52 HD21 ASN 52 -2.718 11.883 -1.553 394 HD22 ASN 52 HD22 ASN 52 -2.019 13.173 -2.474 395 H ASP 53 HN ASP 53 -4.740 8.220 -5.514 396 HA ASP 53 HA ASP 53 -4.754 5.732 -3.957 397 HB2 ASP 53 HB2 ASP 53 -6.412 6.733 -6.248 398 HB3 ASP 53 HB1 ASP 53 -6.266 5.004 -5.964 399 H ARG 54 HN ARG 54 -3.350 4.200 -4.431 400 HA ARG 54 HA ARG 54 -2.424 3.837 -7.156 401 HB2 ARG 54 HB2 ARG 54 -0.830 5.441 -6.046 402 HB3 ARG 54 HB1 ARG 54 -0.451 4.172 -4.890 403 HG2 ARG 54 HG2 ARG 54 1.250 4.229 -6.574 404 HG3 ARG 54 HG1 ARG 54 0.308 2.749 -6.768 405 HD2 ARG 54 HD2 ARG 54 -1.007 3.863 -8.538 406 HD3 ARG 54 HD1 ARG 54 0.024 5.284 -8.378 407 HE ARG 54 HE ARG 54 1.691 3.111 -8.857 408 HH11 ARG 54 HH11 ARG 54 -0.870 4.847 -10.489 409 HH12 ARG 54 HH12 ARG 54 -0.265 4.511 -12.079 410 HH21 ARG 54 HH21 ARG 54 2.500 2.655 -10.943 411 HH22 ARG 54 HH22 ARG 54 1.664 3.261 -12.339 412 H VAL 55 HN VAL 55 -1.724 1.732 -7.573 413 HA VAL 55 HA VAL 55 -2.097 -0.170 -5.367 414 HB VAL 55 HB VAL 55 -3.672 -0.562 -7.154 415 HG11 VAL 55 HG11 VAL 55 -2.543 0.506 -8.995 416 HG12 VAL 55 HG12 VAL 55 -2.926 -1.161 -9.430 417 HG13 VAL 55 HG13 VAL 55 -1.278 -0.724 -8.975 418 HG21 VAL 55 HG21 VAL 55 -1.464 -2.615 -7.154 419 HG22 VAL 55 HG22 VAL 55 -3.098 -2.886 -7.756 420 HG23 VAL 55 HG23 VAL 55 -2.834 -2.539 -6.045 421 H GLY 56 HN GLY 56 -0.472 -1.551 -4.827 422 HA2 GLY 56 HA2 GLY 56 1.919 -1.634 -6.536 423 HA3 GLY 56 HA1 GLY 56 2.099 -1.070 -4.881 424 H TYR 57 HN TYR 57 3.540 -3.234 -5.729 425 HA TYR 57 HA TYR 57 2.157 -5.497 -4.456 426 HB2 TYR 57 HB2 TYR 57 3.703 -6.974 -5.686 427 HB3 TYR 57 HB1 TYR 57 2.732 -5.988 -6.771 428 HD1 TYR 57 HD1 TYR 57 6.079 -6.819 -5.669 429 HD2 TYR 57 HD2 TYR 57 3.784 -4.049 -7.940 430 HE1 TYR 57 HE1 TYR 57 8.129 -6.040 -6.773 431 HE2 TYR 57 HE2 TYR 57 5.831 -3.261 -9.054 432 HH TYR 57 HH TYR 57 8.835 -4.918 -8.763 433 H PHE 58 HN PHE 58 3.222 -6.670 -2.856 434 HA PHE 58 HA PHE 58 5.840 -5.729 -1.974 435 HB2 PHE 58 HB2 PHE 58 5.097 -5.281 0.301 436 HB3 PHE 58 HB1 PHE 58 4.193 -4.274 -0.823 437 HD1 PHE 58 HD1 PHE 58 1.868 -5.134 -1.538 438 HD2 PHE 58 HD2 PHE 58 3.984 -6.573 1.860 439 HE1 PHE 58 HE1 PHE 58 -0.235 -5.973 -0.588 440 HE2 PHE 58 HE2 PHE 58 1.883 -7.413 2.817 441 HZ PHE 58 HZ PHE 58 -0.229 -7.116 1.593 442 HA PRO 59 HA PRO 59 6.119 -10.030 -0.919 443 HB2 PRO 59 HB2 PRO 59 8.487 -10.055 0.289 444 HB3 PRO 59 HB1 PRO 59 8.354 -9.614 -1.418 445 HG2 PRO 59 HG2 PRO 59 8.670 -7.850 0.976 446 HG3 PRO 59 HG1 PRO 59 9.441 -7.726 -0.612 447 HD2 PRO 59 HD2 PRO 59 7.216 -6.279 0.196 448 HD3 PRO 59 HD1 PRO 59 7.687 -6.565 -1.488 449 H SER 60 HN SER 60 4.340 -8.773 0.785 450 HA SER 60 HA SER 60 3.306 -9.007 2.782 451 HB2 SER 60 HB2 SER 60 5.374 -11.144 3.331 452 HB3 SER 60 HB1 SER 60 3.837 -10.931 4.172 453 HG SER 60 HG SER 60 4.095 -11.435 1.383 454 H SER 61 HN SER 61 3.647 -8.862 5.218 455 HA SER 61 HA SER 61 4.446 -7.744 7.025 456 HB2 SER 61 HB2 SER 61 6.318 -9.355 6.747 457 HB3 SER 61 HB1 SER 61 7.148 -8.186 5.723 458 HG SER 61 HG SER 61 7.142 -6.753 7.543 459 H LEU 62 HN LEU 62 3.353 -6.083 5.311 460 HA LEU 62 HA LEU 62 5.202 -4.019 4.466 461 HB2 LEU 62 HB2 LEU 62 3.329 -4.725 3.034 462 HB3 LEU 62 HB1 LEU 62 2.198 -4.190 4.260 463 HG LEU 62 HG LEU 62 2.954 -1.870 3.947 464 HD11 LEU 62 HD11 LEU 62 4.675 -3.036 1.764 465 HD12 LEU 62 HD12 LEU 62 5.241 -2.271 3.248 466 HD13 LEU 62 HD13 LEU 62 4.392 -1.318 2.033 467 HD21 LEU 62 HD21 LEU 62 2.142 -3.254 1.394 468 HD22 LEU 62 HD22 LEU 62 1.968 -1.534 1.742 469 HD23 LEU 62 HD23 LEU 62 1.054 -2.720 2.675 470 H GLY 63 HN GLY 63 2.361 -4.244 6.581 471 HA2 GLY 63 HA2 GLY 63 3.514 -2.169 8.289 472 HA3 GLY 63 HA1 GLY 63 1.930 -1.854 7.592 473 H GLU 64 HN GLU 64 0.794 -1.846 9.488 474 HA GLU 64 HA GLU 64 0.710 -4.401 10.946 475 HB2 GLU 64 HB2 GLU 64 -0.286 -3.141 12.810 476 HB3 GLU 64 HB1 GLU 64 1.292 -2.504 12.371 477 HG2 GLU 64 HG2 GLU 64 0.247 -0.677 11.170 478 HG3 GLU 64 HG1 GLU 64 -1.347 -1.329 11.531 479 H ALA 65 HN ALA 65 -1.117 -5.589 10.868 480 HA ALA 65 HA ALA 65 -3.152 -4.786 9.012 481 HB1 ALA 65 HB1 ALA 65 -2.355 -7.113 9.145 482 HB2 ALA 65 HB2 ALA 65 -4.101 -6.983 9.364 483 HB3 ALA 65 HB3 ALA 65 -3.052 -7.241 10.759 484 H ILE 66 HN ILE 66 -4.283 -3.099 9.816 485 HA ILE 66 HA ILE 66 -5.535 -3.304 12.440 486 HB ILE 66 HB ILE 66 -6.377 -1.022 11.998 487 HG12 ILE 66 HG12 ILE 66 -4.784 -1.216 9.426 488 HG13 ILE 66 HG11 ILE 66 -6.540 -1.227 9.526 489 HG21 ILE 66 HG21 ILE 66 -3.416 -1.380 11.546 490 HG22 ILE 66 HG22 ILE 66 -4.237 -1.335 13.106 491 HG23 ILE 66 HG23 ILE 66 -4.200 0.105 12.087 492 HD11 ILE 66 HD11 ILE 66 -5.630 0.955 8.883 493 HD12 ILE 66 HD12 ILE 66 -4.779 1.039 10.425 494 HD13 ILE 66 HD13 ILE 66 -6.542 1.020 10.390 495 H VAL 67 HN VAL 67 -6.230 -3.808 9.133 496 HA VAL 67 HA VAL 67 -8.050 -4.440 7.957 497 HB VAL 67 HB VAL 67 -9.186 -5.354 10.602 498 HG11 VAL 67 HG11 VAL 67 -10.347 -7.024 9.229 499 HG12 VAL 67 HG12 VAL 67 -9.654 -6.305 7.776 500 HG13 VAL 67 HG13 VAL 67 -10.786 -5.382 8.761 501 HG21 VAL 67 HG21 VAL 67 -8.112 -7.519 10.109 502 HG22 VAL 67 HG22 VAL 67 -6.936 -6.229 10.356 503 HG23 VAL 67 HG23 VAL 67 -7.306 -6.785 8.724 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 -7.233 -16.665 -3.858 2 H2 GLY 1 HT2 GLY 1 -5.636 -16.843 -3.340 3 H3 GLY 1 HT3 GLY 1 -6.050 -15.576 -4.379 4 HA2 GLY 1 HA1 GLY 1 -5.759 -14.759 -2.137 5 HA3 GLY 1 HA2 GLY 1 -7.423 -14.577 -2.677 6 H SER 2 HN SER 2 -6.551 -14.646 0.039 7 HA SER 2 HA SER 2 -7.911 -17.107 0.884 8 HB2 SER 2 HB2 SER 2 -5.808 -15.597 2.444 9 HB3 SER 2 HB1 SER 2 -6.602 -17.093 2.938 10 HG SER 2 HG SER 2 -5.690 -18.052 1.019 11 H HIS 3 HN HIS 3 -7.052 -14.196 2.773 12 HA HIS 3 HA HIS 3 -9.950 -13.759 3.115 13 HB2 HIS 3 HB2 HIS 3 -7.818 -13.768 5.242 14 HB3 HIS 3 HB1 HIS 3 -9.398 -13.033 5.488 15 HD2 HIS 3 HD2 HIS 3 -7.776 -16.559 5.136 16 HE1 HIS 3 HE1 HIS 3 -11.794 -16.986 6.395 17 HE2 HIS 3 HE2 HIS 3 -9.558 -18.151 6.154 18 H MET 4 HN MET 4 -6.943 -12.381 2.389 19 HA MET 4 HA MET 4 -6.251 -10.290 1.828 20 HB2 MET 4 HB2 MET 4 -9.045 -9.234 2.224 21 HB3 MET 4 HB1 MET 4 -7.788 -8.619 1.164 22 HG2 MET 4 HG2 MET 4 -9.496 -11.058 0.805 23 HG3 MET 4 HG1 MET 4 -9.391 -9.632 -0.224 24 HE1 MET 4 HE1 MET 4 -9.326 -12.545 -1.424 25 HE2 MET 4 HE2 MET 4 -8.001 -12.402 -2.580 26 HE3 MET 4 HE3 MET 4 -9.156 -11.085 -2.396 27 H LEU 5 HN LEU 5 -6.230 -7.891 2.803 28 HA LEU 5 HA LEU 5 -7.078 -7.663 5.517 29 HB2 LEU 5 HB2 LEU 5 -4.845 -7.539 6.571 30 HB3 LEU 5 HB1 LEU 5 -5.278 -9.147 6.027 31 HG LEU 5 HG LEU 5 -3.547 -7.399 4.309 32 HD11 LEU 5 HD11 LEU 5 -2.619 -9.138 6.588 33 HD12 LEU 5 HD12 LEU 5 -2.495 -7.380 6.500 34 HD13 LEU 5 HD13 LEU 5 -1.577 -8.387 5.378 35 HD21 LEU 5 HD21 LEU 5 -4.435 -9.470 3.352 36 HD22 LEU 5 HD22 LEU 5 -3.735 -10.387 4.686 37 HD23 LEU 5 HD23 LEU 5 -2.683 -9.551 3.543 38 H GLN 6 HN GLN 6 -6.758 -5.614 6.411 39 HA GLN 6 HA GLN 6 -5.634 -3.631 4.555 40 HB2 GLN 6 HB2 GLN 6 -8.023 -3.298 4.990 41 HB3 GLN 6 HB1 GLN 6 -7.711 -3.251 6.722 42 HG2 GLN 6 HG2 GLN 6 -6.567 -1.197 6.561 43 HG3 GLN 6 HG1 GLN 6 -6.467 -1.310 4.804 44 HE21 GLN 6 HE21 GLN 6 -8.550 -0.640 7.517 45 HE22 GLN 6 HE22 GLN 6 -9.810 0.114 6.607 46 H VAL 7 HN VAL 7 -3.893 -2.513 5.202 47 HA VAL 7 HA VAL 7 -2.997 -2.972 7.968 48 HB VAL 7 HB VAL 7 -0.696 -3.068 7.182 49 HG11 VAL 7 HG11 VAL 7 -1.859 -5.168 7.359 50 HG12 VAL 7 HG12 VAL 7 -0.795 -5.215 5.956 51 HG13 VAL 7 HG13 VAL 7 -2.528 -4.980 5.740 52 HG21 VAL 7 HG21 VAL 7 -0.182 -3.210 4.779 53 HG22 VAL 7 HG22 VAL 7 -0.842 -1.639 5.231 54 HG23 VAL 7 HG23 VAL 7 -1.862 -2.822 4.410 55 H ARG 8 HN ARG 8 -1.705 -1.383 8.924 56 HA ARG 8 HA ARG 8 -1.673 1.236 7.571 57 HB2 ARG 8 HB2 ARG 8 -1.748 0.572 10.519 58 HB3 ARG 8 HB1 ARG 8 -1.415 2.182 9.897 59 HG2 ARG 8 HG2 ARG 8 -3.607 2.231 8.836 60 HG3 ARG 8 HG1 ARG 8 -3.941 0.610 9.446 61 HD2 ARG 8 HD2 ARG 8 -4.988 2.317 10.840 62 HD3 ARG 8 HD1 ARG 8 -3.765 1.419 11.736 63 HE ARG 8 HE ARG 8 -2.315 3.478 11.031 64 HH11 ARG 8 HH11 ARG 8 -5.659 3.479 12.052 65 HH12 ARG 8 HH12 ARG 8 -5.575 5.059 12.764 66 HH21 ARG 8 HH21 ARG 8 -2.198 5.568 11.976 67 HH22 ARG 8 HH22 ARG 8 -3.613 6.245 12.724 68 H ALA 9 HN ALA 9 0.284 2.052 7.118 69 HA ALA 9 HA ALA 9 2.611 0.816 8.418 70 HB1 ALA 9 HB1 ALA 9 2.263 -0.273 6.255 71 HB2 ALA 9 HB2 ALA 9 3.759 0.660 6.280 72 HB3 ALA 9 HB3 ALA 9 2.337 1.297 5.457 73 H THR 10 HN THR 10 4.197 2.172 8.969 74 HA THR 10 HA THR 10 4.097 4.903 7.880 75 HB THR 10 HB THR 10 5.328 3.973 10.485 76 HG1 THR 10 HG1 THR 10 2.936 4.102 10.288 77 HG21 THR 10 HG21 THR 10 6.519 5.884 9.520 78 HG22 THR 10 HG22 THR 10 5.617 6.365 10.955 79 HG23 THR 10 HG23 THR 10 4.996 6.756 9.353 80 H LYS 11 HN LYS 11 5.373 4.775 6.150 81 HA LYS 11 HA LYS 11 8.189 4.504 6.465 82 HB2 LYS 11 HB2 LYS 11 7.509 2.120 6.346 83 HB3 LYS 11 HB1 LYS 11 6.720 2.437 4.809 84 HG2 LYS 11 HG2 LYS 11 8.832 2.915 3.766 85 HG3 LYS 11 HG1 LYS 11 9.668 2.769 5.314 86 HD2 LYS 11 HD2 LYS 11 9.050 0.426 5.455 87 HD3 LYS 11 HD1 LYS 11 8.129 0.557 3.956 88 HE2 LYS 11 HE2 LYS 11 10.305 -0.478 3.569 89 HE3 LYS 11 HE1 LYS 11 10.174 1.067 2.734 90 HZ1 LYS 11 HZ1 LYS 11 11.484 2.101 4.447 91 HZ2 LYS 11 HZ2 LYS 11 12.321 0.767 3.838 92 HZ3 LYS 11 HZ3 LYS 11 11.546 0.662 5.335 93 H ASP 12 HN ASP 12 9.268 5.421 4.721 94 HA ASP 12 HA ASP 12 7.613 7.073 3.015 95 HB2 ASP 12 HB2 ASP 12 10.630 6.888 3.229 96 HB3 ASP 12 HB1 ASP 12 9.736 8.120 2.348 97 H TYR 13 HN TYR 13 6.761 5.130 1.931 98 HA TYR 13 HA TYR 13 8.625 3.669 0.235 99 HB2 TYR 13 HB2 TYR 13 6.626 2.761 1.726 100 HB3 TYR 13 HB1 TYR 13 5.686 3.142 0.292 101 HD1 TYR 13 HD1 TYR 13 7.810 0.731 1.871 102 HD2 TYR 13 HD2 TYR 13 6.410 2.085 -1.908 103 HE1 TYR 13 HE1 TYR 13 8.482 -1.412 0.863 104 HE2 TYR 13 HE2 TYR 13 7.070 -0.051 -2.927 105 HH TYR 13 HH TYR 13 7.864 -2.785 -1.138 106 H CYS 14 HN CYS 14 8.869 4.092 -1.853 107 HA CYS 14 HA CYS 14 8.577 4.833 -3.960 108 HB2 CYS 14 HB2 CYS 14 6.508 3.547 -3.948 109 HB3 CYS 14 HB1 CYS 14 5.650 4.894 -3.218 110 HG CYS 14 HG CYS 14 6.216 4.260 -6.401 111 H ASN 15 HN ASN 15 5.818 6.745 -2.946 112 HA ASN 15 HA ASN 15 5.386 8.960 -3.166 113 HB2 ASN 15 HB2 ASN 15 8.123 9.095 -1.900 114 HB3 ASN 15 HB1 ASN 15 7.094 10.503 -2.138 115 HD21 ASN 15 HD21 ASN 15 7.603 7.606 -0.340 116 HD22 ASN 15 HD22 ASN 15 6.382 7.879 0.854 117 H ASN 16 HN ASN 16 6.355 7.743 -5.509 118 HA ASN 16 HA ASN 16 8.073 9.817 -6.684 119 HB2 ASN 16 HB2 ASN 16 8.875 7.456 -6.830 120 HB3 ASN 16 HB1 ASN 16 7.449 7.063 -7.780 121 HD21 ASN 16 HD21 ASN 16 10.488 8.751 -7.733 122 HD22 ASN 16 HD22 ASN 16 10.607 8.991 -9.445 123 H TYR 17 HN TYR 17 7.548 10.434 -8.964 124 HA TYR 17 HA TYR 17 4.846 11.272 -9.111 125 HB2 TYR 17 HB2 TYR 17 7.050 11.365 -11.177 126 HB3 TYR 17 HB1 TYR 17 5.488 12.160 -11.347 127 HD1 TYR 17 HD1 TYR 17 4.859 13.964 -9.681 128 HD2 TYR 17 HD2 TYR 17 8.796 12.372 -9.970 129 HE1 TYR 17 HE1 TYR 17 5.739 15.935 -8.504 130 HE2 TYR 17 HE2 TYR 17 9.682 14.338 -8.792 131 HH TYR 17 HH TYR 17 9.010 16.715 -8.419 132 H ASP 18 HN ASP 18 6.707 9.080 -11.234 133 HA ASP 18 HA ASP 18 4.159 7.731 -11.835 134 HB2 ASP 18 HB2 ASP 18 4.841 9.040 -13.777 135 HB3 ASP 18 HB1 ASP 18 6.429 8.282 -13.754 136 H LEU 19 HN LEU 19 4.329 5.943 -10.641 137 HA LEU 19 HA LEU 19 6.205 3.920 -11.353 138 HB2 LEU 19 HB2 LEU 19 7.549 5.426 -9.828 139 HB3 LEU 19 HB1 LEU 19 6.418 5.031 -8.550 140 HG LEU 19 HG LEU 19 7.066 2.620 -8.833 141 HD11 LEU 19 HD11 LEU 19 7.945 2.770 -11.106 142 HD12 LEU 19 HD12 LEU 19 9.157 2.135 -9.992 143 HD13 LEU 19 HD13 LEU 19 9.249 3.810 -10.538 144 HD21 LEU 19 HD21 LEU 19 7.964 3.989 -7.033 145 HD22 LEU 19 HD22 LEU 19 9.247 4.567 -8.096 146 HD23 LEU 19 HD23 LEU 19 9.184 2.867 -7.635 147 H THR 20 HN THR 20 5.511 1.884 -10.552 148 HA THR 20 HA THR 20 2.928 1.984 -9.156 149 HB THR 20 HB THR 20 4.149 -0.379 -10.596 150 HG1 THR 20 HG1 THR 20 3.717 1.455 -11.991 151 HG21 THR 20 HG21 THR 20 1.318 0.212 -9.720 152 HG22 THR 20 HG22 THR 20 2.411 -0.946 -8.963 153 HG23 THR 20 HG23 THR 20 1.842 -1.218 -10.609 154 H SER 21 HN SER 21 3.329 2.002 -7.058 155 HA SER 21 HA SER 21 4.552 -0.193 -5.715 156 HB2 SER 21 HB2 SER 21 5.970 2.488 -5.667 157 HB3 SER 21 HB1 SER 21 6.348 1.127 -4.615 158 HG SER 21 HG SER 21 6.339 0.325 -7.182 159 H LEU 22 HN LEU 22 4.477 0.204 -3.314 160 HA LEU 22 HA LEU 22 2.020 1.356 -2.542 161 HB2 LEU 22 HB2 LEU 22 4.409 0.568 -0.866 162 HB3 LEU 22 HB1 LEU 22 2.864 1.047 -0.203 163 HG LEU 22 HG LEU 22 2.893 -1.286 -0.069 164 HD11 LEU 22 HD11 LEU 22 1.151 -2.044 -1.604 165 HD12 LEU 22 HD12 LEU 22 1.382 -0.591 -2.575 166 HD13 LEU 22 HD13 LEU 22 0.791 -0.459 -0.919 167 HD21 LEU 22 HD21 LEU 22 3.815 -1.401 -2.931 168 HD22 LEU 22 HD22 LEU 22 3.475 -2.782 -1.893 169 HD23 LEU 22 HD23 LEU 22 4.812 -1.699 -1.508 170 H ASN 23 HN ASN 23 1.779 3.500 -2.929 171 HA ASN 23 HA ASN 23 3.900 5.385 -2.461 172 HB2 ASN 23 HB2 ASN 23 2.127 5.591 -4.266 173 HB3 ASN 23 HB1 ASN 23 0.992 6.015 -2.988 174 HD21 ASN 23 HD21 ASN 23 1.266 7.983 -1.876 175 HD22 ASN 23 HD22 ASN 23 2.205 9.272 -2.554 176 H VAL 24 HN VAL 24 4.206 4.823 -0.194 177 HA VAL 24 HA VAL 24 2.121 5.867 1.602 178 HB VAL 24 HB VAL 24 4.559 4.283 2.410 179 HG11 VAL 24 HG11 VAL 24 1.925 4.767 3.798 180 HG12 VAL 24 HG12 VAL 24 3.458 5.546 4.186 181 HG13 VAL 24 HG13 VAL 24 3.265 3.808 4.425 182 HG21 VAL 24 HG21 VAL 24 1.809 3.220 1.774 183 HG22 VAL 24 HG22 VAL 24 3.142 2.292 2.460 184 HG23 VAL 24 HG23 VAL 24 3.271 2.947 0.827 185 H LYS 25 HN LYS 25 2.414 7.843 2.410 186 HA LYS 25 HA LYS 25 5.093 9.019 2.364 187 HB2 LYS 25 HB2 LYS 25 3.872 11.144 2.940 188 HB3 LYS 25 HB1 LYS 25 3.431 10.437 1.390 189 HG2 LYS 25 HG2 LYS 25 1.360 9.726 2.163 190 HG3 LYS 25 HG1 LYS 25 1.844 9.848 3.853 191 HD2 LYS 25 HD2 LYS 25 1.904 12.291 3.650 192 HD3 LYS 25 HD1 LYS 25 1.397 12.157 1.965 193 HE2 LYS 25 HE2 LYS 25 -0.456 12.668 3.561 194 HE3 LYS 25 HE1 LYS 25 -0.704 11.215 2.594 195 HZ1 LYS 25 HZ1 LYS 25 -1.279 10.899 4.944 196 HZ2 LYS 25 HZ2 LYS 25 0.316 11.233 5.384 197 HZ3 LYS 25 HZ3 LYS 25 -0.034 9.859 4.453 198 H ALA 26 HN ALA 26 4.691 6.996 4.193 199 HA ALA 26 HA ALA 26 5.021 6.419 6.348 200 HB1 ALA 26 HB1 ALA 26 6.889 7.969 6.175 201 HB2 ALA 26 HB2 ALA 26 6.196 7.975 7.799 202 HB3 ALA 26 HB3 ALA 26 5.842 9.295 6.682 203 H GLY 27 HN GLY 27 2.685 6.096 6.492 204 HA2 GLY 27 HA2 GLY 27 1.363 6.165 8.572 205 HA3 GLY 27 HA1 GLY 27 1.571 7.908 8.540 206 H ASP 28 HN ASP 28 0.305 5.279 6.508 207 HA ASP 28 HA ASP 28 -2.140 6.824 6.120 208 HB2 ASP 28 HB2 ASP 28 -0.379 5.840 3.876 209 HB3 ASP 28 HB1 ASP 28 -2.091 6.181 3.645 210 H ILE 29 HN ILE 29 -3.633 5.332 4.609 211 HA ILE 29 HA ILE 29 -3.732 2.773 6.050 212 HB ILE 29 HB ILE 29 -5.965 4.134 4.529 213 HG12 ILE 29 HG12 ILE 29 -5.273 5.539 6.413 214 HG13 ILE 29 HG11 ILE 29 -6.852 4.826 6.712 215 HG21 ILE 29 HG21 ILE 29 -6.246 1.733 4.778 216 HG22 ILE 29 HG22 ILE 29 -7.421 2.603 5.763 217 HG23 ILE 29 HG23 ILE 29 -6.008 1.869 6.520 218 HD11 ILE 29 HD11 ILE 29 -5.794 3.147 8.154 219 HD12 ILE 29 HD12 ILE 29 -5.508 4.794 8.716 220 HD13 ILE 29 HD13 ILE 29 -4.234 3.916 7.873 221 H ILE 30 HN ILE 30 -3.483 0.916 4.962 222 HA ILE 30 HA ILE 30 -3.487 1.063 2.015 223 HB ILE 30 HB ILE 30 -1.771 -0.763 3.691 224 HG12 ILE 30 HG12 ILE 30 -0.973 1.819 2.330 225 HG13 ILE 30 HG11 ILE 30 -1.204 1.630 4.065 226 HG21 ILE 30 HG21 ILE 30 -0.508 -0.964 1.544 227 HG22 ILE 30 HG22 ILE 30 -1.814 -0.071 0.763 228 HG23 ILE 30 HG23 ILE 30 -2.137 -1.634 1.504 229 HD11 ILE 30 HD11 ILE 30 0.615 -0.016 4.104 230 HD12 ILE 30 HD12 ILE 30 1.143 1.562 3.517 231 HD13 ILE 30 HD13 ILE 30 0.865 0.244 2.379 232 H THR 31 HN THR 31 -4.861 -0.272 1.039 233 HA THR 31 HA THR 31 -6.052 -2.450 2.620 234 HB THR 31 HB THR 31 -7.082 -1.246 0.040 235 HG1 THR 31 HG1 THR 31 -7.664 -0.647 2.768 236 HG21 THR 31 HG21 THR 31 -9.177 -2.356 0.646 237 HG22 THR 31 HG22 THR 31 -8.426 -2.997 2.108 238 HG23 THR 31 HG23 THR 31 -7.866 -3.530 0.523 239 H VAL 32 HN VAL 32 -4.983 -4.335 2.265 240 HA VAL 32 HA VAL 32 -3.913 -4.741 -0.445 241 HB VAL 32 HB VAL 32 -2.068 -5.949 0.418 242 HG11 VAL 32 HG11 VAL 32 -2.474 -3.590 2.242 243 HG12 VAL 32 HG12 VAL 32 -1.895 -3.506 0.581 244 HG13 VAL 32 HG13 VAL 32 -0.933 -4.330 1.806 245 HG21 VAL 32 HG21 VAL 32 -3.219 -7.215 2.160 246 HG22 VAL 32 HG22 VAL 32 -3.306 -5.761 3.157 247 HG23 VAL 32 HG23 VAL 32 -1.740 -6.473 2.773 248 H LEU 33 HN LEU 33 -3.894 -6.869 -1.271 249 HA LEU 33 HA LEU 33 -5.924 -8.546 -0.015 250 HB2 LEU 33 HB2 LEU 33 -6.103 -9.703 -2.249 251 HB3 LEU 33 HB1 LEU 33 -6.749 -8.087 -2.148 252 HG LEU 33 HG LEU 33 -5.641 -8.606 -4.292 253 HD11 LEU 33 HD11 LEU 33 -4.545 -6.532 -4.561 254 HD12 LEU 33 HD12 LEU 33 -4.184 -6.422 -2.843 255 HD13 LEU 33 HD13 LEU 33 -5.851 -6.290 -3.403 256 HD21 LEU 33 HD21 LEU 33 -3.091 -8.658 -2.697 257 HD22 LEU 33 HD22 LEU 33 -3.227 -8.724 -4.454 258 HD23 LEU 33 HD23 LEU 33 -3.855 -10.045 -3.472 259 H GLU 34 HN GLU 34 -5.607 -10.866 -0.219 260 HA GLU 34 HA GLU 34 -2.802 -11.492 0.358 261 HB2 GLU 34 HB2 GLU 34 -4.541 -11.893 2.104 262 HB3 GLU 34 HB1 GLU 34 -5.333 -13.018 1.010 263 HG2 GLU 34 HG2 GLU 34 -3.515 -14.535 1.132 264 HG3 GLU 34 HG1 GLU 34 -2.518 -13.361 1.995 265 H GLN 35 HN GLN 35 -1.826 -12.192 -1.417 266 HA GLN 35 HA GLN 35 -3.502 -13.190 -3.584 267 HB2 GLN 35 HB2 GLN 35 -2.012 -11.164 -3.814 268 HB3 GLN 35 HB1 GLN 35 -0.641 -12.255 -3.726 269 HG2 GLN 35 HG2 GLN 35 -1.416 -13.401 -5.731 270 HG3 GLN 35 HG1 GLN 35 -2.802 -12.311 -5.814 271 HE21 GLN 35 HE21 GLN 35 0.612 -12.641 -6.256 272 HE22 GLN 35 HE22 GLN 35 0.863 -11.131 -7.067 273 H HIS 36 HN HIS 36 -0.067 -13.787 -2.900 274 HA HIS 36 HA HIS 36 -0.622 -16.654 -3.258 275 HB2 HIS 36 HB2 HIS 36 1.671 -15.039 -4.388 276 HB3 HIS 36 HB1 HIS 36 1.619 -16.801 -4.393 277 HD2 HIS 36 HD2 HIS 36 -0.835 -17.755 -5.784 278 HE1 HIS 36 HE1 HIS 36 -0.643 -14.449 -8.411 279 HE2 HIS 36 HE2 HIS 36 -1.801 -16.645 -7.918 280 HA PRO 37 HA PRO 37 1.473 -17.007 0.639 281 HB2 PRO 37 HB2 PRO 37 1.671 -19.711 0.677 282 HB3 PRO 37 HB1 PRO 37 0.156 -18.858 0.999 283 HG2 PRO 37 HG2 PRO 37 1.094 -20.177 -1.520 284 HG3 PRO 37 HG1 PRO 37 -0.511 -20.216 -0.767 285 HD2 PRO 37 HD2 PRO 37 0.083 -18.608 -2.867 286 HD3 PRO 37 HD1 PRO 37 -1.104 -18.164 -1.624 287 H ASP 38 HN ASP 38 2.742 -17.481 -2.369 288 HA ASP 38 HA ASP 38 5.238 -18.698 -1.805 289 HB2 ASP 38 HB2 ASP 38 4.350 -18.483 -4.091 290 HB3 ASP 38 HB1 ASP 38 4.488 -16.732 -3.984 291 H GLY 39 HN GLY 39 3.935 -15.527 -1.385 292 HA2 GLY 39 HA2 GLY 39 4.969 -14.193 0.378 293 HA3 GLY 39 HA1 GLY 39 6.530 -14.657 -0.288 294 H ARG 40 HN ARG 40 3.648 -13.545 -2.042 295 HA ARG 40 HA ARG 40 4.765 -10.911 -2.359 296 HB2 ARG 40 HB2 ARG 40 4.855 -10.942 -4.796 297 HB3 ARG 40 HB1 ARG 40 5.971 -12.106 -4.106 298 HG2 ARG 40 HG2 ARG 40 4.404 -13.911 -4.614 299 HG3 ARG 40 HG1 ARG 40 3.287 -12.736 -5.312 300 HD2 ARG 40 HD2 ARG 40 6.081 -13.329 -6.273 301 HD3 ARG 40 HD1 ARG 40 4.587 -13.836 -7.054 302 HE ARG 40 HE ARG 40 4.125 -11.432 -7.406 303 HH11 ARG 40 HH11 ARG 40 7.426 -12.451 -6.821 304 HH12 ARG 40 HH12 ARG 40 8.124 -11.112 -7.672 305 HH21 ARG 40 HH21 ARG 40 5.048 -9.660 -8.514 306 HH22 ARG 40 HH22 ARG 40 6.774 -9.528 -8.634 307 H TRP 41 HN TRP 41 3.181 -9.551 -2.206 308 HA TRP 41 HA TRP 41 0.520 -10.268 -3.241 309 HB2 TRP 41 HB2 TRP 41 1.096 -8.717 -0.707 310 HB3 TRP 41 HB1 TRP 41 -0.496 -9.065 -1.359 311 HD1 TRP 41 HD1 TRP 41 0.768 -12.270 -1.875 312 HE1 TRP 41 HE1 TRP 41 0.534 -13.818 0.170 313 HE3 TRP 41 HE3 TRP 41 -0.013 -8.733 1.721 314 HZ2 TRP 41 HZ2 TRP 41 0.059 -13.558 2.944 315 HZ3 TRP 41 HZ3 TRP 41 -0.355 -9.459 4.038 316 HH2 TRP 41 HH2 TRP 41 -0.324 -11.823 4.639 317 H LYS 42 HN LYS 42 -0.822 -8.308 -3.647 318 HA LYS 42 HA LYS 42 0.793 -5.886 -4.049 319 HB2 LYS 42 HB2 LYS 42 -0.814 -5.251 -5.846 320 HB3 LYS 42 HB1 LYS 42 0.133 -6.681 -6.225 321 HG2 LYS 42 HG2 LYS 42 -1.704 -8.115 -5.867 322 HG3 LYS 42 HG1 LYS 42 -2.642 -6.835 -5.098 323 HD2 LYS 42 HD2 LYS 42 -3.423 -7.265 -7.375 324 HD3 LYS 42 HD1 LYS 42 -2.767 -5.636 -7.219 325 HE2 LYS 42 HE2 LYS 42 -1.990 -6.577 -9.278 326 HE3 LYS 42 HE1 LYS 42 -0.630 -6.464 -8.167 327 HZ1 LYS 42 HZ1 LYS 42 -0.932 -8.838 -7.670 328 HZ2 LYS 42 HZ2 LYS 42 -0.596 -8.564 -9.303 329 HZ3 LYS 42 HZ3 LYS 42 -2.174 -8.914 -8.815 330 H GLY 43 HN GLY 43 -0.308 -3.876 -3.607 331 HA2 GLY 43 HA2 GLY 43 -2.749 -4.158 -2.004 332 HA3 GLY 43 HA1 GLY 43 -1.324 -3.481 -1.235 333 H CYS 44 HN CYS 44 -3.886 -2.242 -1.620 334 HA CYS 44 HA CYS 44 -3.237 -0.124 -3.548 335 HB2 CYS 44 HB2 CYS 44 -5.872 -0.722 -2.192 336 HB3 CYS 44 HB1 CYS 44 -5.599 0.442 -3.485 337 HG CYS 44 HG CYS 44 -5.314 -1.311 -5.495 338 H ILE 45 HN ILE 45 -3.101 1.972 -2.915 339 HA ILE 45 HA ILE 45 -2.760 2.397 -0.031 340 HB ILE 45 HB ILE 45 -1.769 4.037 -2.376 341 HG12 ILE 45 HG12 ILE 45 -0.688 1.809 -2.147 342 HG13 ILE 45 HG11 ILE 45 0.425 3.151 -1.899 343 HG21 ILE 45 HG21 ILE 45 -0.416 5.242 -0.743 344 HG22 ILE 45 HG22 ILE 45 -1.138 4.296 0.561 345 HG23 ILE 45 HG23 ILE 45 -2.138 5.399 -0.386 346 HD11 ILE 45 HD11 ILE 45 0.840 1.407 -0.295 347 HD12 ILE 45 HD12 ILE 45 -0.838 1.462 0.240 348 HD13 ILE 45 HD13 ILE 45 0.221 2.840 0.524 349 H HIS 46 HN HIS 46 -4.045 3.773 1.069 350 HA HIS 46 HA HIS 46 -5.763 5.595 -0.478 351 HB2 HIS 46 HB2 HIS 46 -6.887 4.105 1.172 352 HB3 HIS 46 HB1 HIS 46 -5.910 4.815 2.450 353 HD2 HIS 46 HD2 HIS 46 -6.527 7.549 3.018 354 HE1 HIS 46 HE1 HIS 46 -10.341 7.282 1.208 355 HE2 HIS 46 HE2 HIS 46 -8.797 8.729 2.600 356 H ASP 47 HN ASP 47 -4.612 7.390 -0.875 357 HA ASP 47 HA ASP 47 -2.704 8.372 1.082 358 HB2 ASP 47 HB2 ASP 47 -1.993 8.371 -1.239 359 HB3 ASP 47 HB1 ASP 47 -3.390 9.336 -1.700 360 H ASN 48 HN ASN 48 -2.858 10.265 2.188 361 HA ASN 48 HA ASN 48 -5.563 11.392 2.300 362 HB2 ASN 48 HB2 ASN 48 -3.360 11.258 4.353 363 HB3 ASN 48 HB1 ASN 48 -4.825 12.207 4.579 364 HD21 ASN 48 HD21 ASN 48 -3.483 8.992 4.319 365 HD22 ASN 48 HD22 ASN 48 -4.876 8.164 4.945 366 H ARG 49 HN ARG 49 -3.440 12.238 0.382 367 HA ARG 49 HA ARG 49 -3.524 15.079 1.137 368 HB2 ARG 49 HB2 ARG 49 -1.222 14.284 1.368 369 HB3 ARG 49 HB1 ARG 49 -1.248 13.697 -0.288 370 HG2 ARG 49 HG2 ARG 49 -1.198 15.834 -1.184 371 HG3 ARG 49 HG1 ARG 49 -1.782 16.579 0.304 372 HD2 ARG 49 HD2 ARG 49 0.914 15.260 -0.001 373 HD3 ARG 49 HD1 ARG 49 0.627 16.992 -0.155 374 HE ARG 49 HE ARG 49 -0.229 15.722 2.323 375 HH11 ARG 49 HH11 ARG 49 2.174 17.649 0.655 376 HH12 ARG 49 HH12 ARG 49 2.836 18.311 2.115 377 HH21 ARG 49 HH21 ARG 49 0.642 16.586 4.242 378 HH22 ARG 49 HH22 ARG 49 1.972 17.695 4.157 379 H THR 50 HN THR 50 -2.833 13.031 -1.714 380 HA THR 50 HA THR 50 -5.023 14.078 -3.183 381 HB THR 50 HB THR 50 -3.606 16.089 -3.253 382 HG1 THR 50 HG1 THR 50 -4.319 14.643 -5.535 383 HG21 THR 50 HG21 THR 50 -1.411 14.999 -3.115 384 HG22 THR 50 HG22 THR 50 -1.504 16.088 -4.498 385 HG23 THR 50 HG23 THR 50 -1.636 14.345 -4.736 386 H GLY 51 HN GLY 51 -2.787 11.771 -2.639 387 HA2 GLY 51 HA2 GLY 51 -2.279 10.879 -5.331 388 HA3 GLY 51 HA1 GLY 51 -1.939 9.991 -3.851 389 H ASN 52 HN ASN 52 -4.715 10.420 -2.947 390 HA ASN 52 HA ASN 52 -6.720 9.395 -2.923 391 HB2 ASN 52 HB2 ASN 52 -6.315 9.061 -5.899 392 HB3 ASN 52 HB1 ASN 52 -7.837 8.875 -5.039 393 HD21 ASN 52 HD21 ASN 52 -7.350 11.140 -3.272 394 HD22 ASN 52 HD22 ASN 52 -7.552 12.558 -4.242 395 H ASP 53 HN ASP 53 -5.339 7.469 -5.555 396 HA ASP 53 HA ASP 53 -5.155 5.148 -3.802 397 HB2 ASP 53 HB2 ASP 53 -7.366 4.807 -4.523 398 HB3 ASP 53 HB1 ASP 53 -7.026 5.406 -6.143 399 H ARG 54 HN ARG 54 -3.413 3.995 -4.254 400 HA ARG 54 HA ARG 54 -2.507 3.741 -7.006 401 HB2 ARG 54 HB2 ARG 54 -0.842 4.860 -4.770 402 HB3 ARG 54 HB1 ARG 54 -0.084 3.975 -6.088 403 HG2 ARG 54 HG2 ARG 54 -1.073 5.559 -7.689 404 HG3 ARG 54 HG1 ARG 54 -1.757 6.466 -6.340 405 HD2 ARG 54 HD2 ARG 54 0.427 7.002 -5.517 406 HD3 ARG 54 HD1 ARG 54 1.186 5.932 -6.695 407 HE ARG 54 HE ARG 54 -0.374 7.901 -8.004 408 HH11 ARG 54 HH11 ARG 54 2.645 7.489 -6.293 409 HH12 ARG 54 HH12 ARG 54 3.455 8.768 -7.144 410 HH21 ARG 54 HH21 ARG 54 0.680 9.588 -9.129 411 HH22 ARG 54 HH22 ARG 54 2.332 9.961 -8.754 412 H VAL 55 HN VAL 55 -1.461 1.788 -7.429 413 HA VAL 55 HA VAL 55 -1.728 -0.164 -5.250 414 HB VAL 55 HB VAL 55 -3.087 -0.625 -7.247 415 HG11 VAL 55 HG11 VAL 55 -1.711 0.398 -8.951 416 HG12 VAL 55 HG12 VAL 55 -2.022 -1.290 -9.355 417 HG13 VAL 55 HG13 VAL 55 -0.456 -0.813 -8.698 418 HG21 VAL 55 HG21 VAL 55 -2.307 -2.495 -5.890 419 HG22 VAL 55 HG22 VAL 55 -0.845 -2.606 -6.870 420 HG23 VAL 55 HG23 VAL 55 -2.416 -2.948 -7.589 421 H GLY 56 HN GLY 56 -0.060 -1.488 -4.672 422 HA2 GLY 56 HA2 GLY 56 2.473 -1.219 -6.139 423 HA3 GLY 56 HA1 GLY 56 2.446 -0.885 -4.412 424 H TYR 57 HN TYR 57 4.117 -2.807 -5.366 425 HA TYR 57 HA TYR 57 2.776 -5.344 -4.689 426 HB2 TYR 57 HB2 TYR 57 5.312 -4.951 -6.296 427 HB3 TYR 57 HB1 TYR 57 4.470 -6.472 -6.022 428 HD1 TYR 57 HD1 TYR 57 2.388 -6.973 -7.193 429 HD2 TYR 57 HD2 TYR 57 4.490 -3.349 -7.909 430 HE1 TYR 57 HE1 TYR 57 1.076 -6.623 -9.241 431 HE2 TYR 57 HE2 TYR 57 3.180 -2.987 -9.957 432 HH TYR 57 HH TYR 57 0.400 -4.822 -10.714 433 H PHE 58 HN PHE 58 3.637 -6.598 -3.059 434 HA PHE 58 HA PHE 58 6.197 -5.878 -1.906 435 HB2 PHE 58 HB2 PHE 58 5.338 -5.401 0.321 436 HB3 PHE 58 HB1 PHE 58 4.642 -4.279 -0.841 437 HD1 PHE 58 HD1 PHE 58 2.285 -4.825 -1.723 438 HD2 PHE 58 HD2 PHE 58 3.979 -6.609 1.748 439 HE1 PHE 58 HE1 PHE 58 0.035 -5.427 -0.936 440 HE2 PHE 58 HE2 PHE 58 1.734 -7.214 2.538 441 HZ PHE 58 HZ PHE 58 -0.241 -6.626 1.196 442 HA PRO 59 HA PRO 59 5.995 -10.229 -0.934 443 HB2 PRO 59 HB2 PRO 59 8.336 -10.435 0.365 444 HB3 PRO 59 HB1 PRO 59 8.263 -10.175 -1.383 445 HG2 PRO 59 HG2 PRO 59 8.773 -8.200 0.806 446 HG3 PRO 59 HG1 PRO 59 9.580 -8.362 -0.764 447 HD2 PRO 59 HD2 PRO 59 7.605 -6.535 -0.241 448 HD3 PRO 59 HD1 PRO 59 7.953 -7.180 -1.856 449 H SER 60 HN SER 60 4.240 -8.986 0.573 450 HA SER 60 HA SER 60 3.136 -8.869 2.526 451 HB2 SER 60 HB2 SER 60 3.380 -10.708 4.112 452 HB3 SER 60 HB1 SER 60 3.396 -11.311 2.460 453 HG SER 60 HG SER 60 5.892 -10.890 2.995 454 H SER 61 HN SER 61 3.515 -8.883 5.087 455 HA SER 61 HA SER 61 4.277 -7.699 6.857 456 HB2 SER 61 HB2 SER 61 6.964 -8.074 5.516 457 HB3 SER 61 HB1 SER 61 6.703 -7.627 7.202 458 HG SER 61 HG SER 61 6.511 -10.085 5.974 459 H LEU 62 HN LEU 62 3.073 -6.052 5.290 460 HA LEU 62 HA LEU 62 4.853 -3.875 4.512 461 HB2 LEU 62 HB2 LEU 62 3.142 -4.665 2.921 462 HB3 LEU 62 HB1 LEU 62 1.890 -4.236 4.070 463 HG LEU 62 HG LEU 62 2.544 -1.865 3.880 464 HD11 LEU 62 HD11 LEU 62 4.428 -2.862 1.745 465 HD12 LEU 62 HD12 LEU 62 4.890 -2.157 3.296 466 HD13 LEU 62 HD13 LEU 62 4.063 -1.171 2.089 467 HD21 LEU 62 HD21 LEU 62 1.673 -1.521 1.620 468 HD22 LEU 62 HD22 LEU 62 0.761 -2.759 2.484 469 HD23 LEU 62 HD23 LEU 62 1.941 -3.226 1.260 470 H GLY 63 HN GLY 63 1.996 -4.483 6.529 471 HA2 GLY 63 HA2 GLY 63 2.829 -2.394 8.351 472 HA3 GLY 63 HA1 GLY 63 1.346 -2.047 7.474 473 H GLU 64 HN GLU 64 0.710 -1.988 9.858 474 HA GLU 64 HA GLU 64 0.267 -4.554 11.093 475 HB2 GLU 64 HB2 GLU 64 -0.700 -1.781 11.807 476 HB3 GLU 64 HB1 GLU 64 -1.074 -3.216 12.747 477 HG2 GLU 64 HG2 GLU 64 0.711 -2.198 13.856 478 HG3 GLU 64 HG1 GLU 64 1.424 -3.547 12.978 479 H ALA 65 HN ALA 65 -1.314 -5.879 10.549 480 HA ALA 65 HA ALA 65 -3.387 -5.061 8.761 481 HB1 ALA 65 HB1 ALA 65 -3.107 -7.684 10.217 482 HB2 ALA 65 HB2 ALA 65 -2.342 -7.299 8.675 483 HB3 ALA 65 HB3 ALA 65 -4.100 -7.361 8.796 484 H ILE 66 HN ILE 66 -4.694 -3.600 9.717 485 HA ILE 66 HA ILE 66 -5.958 -4.165 12.259 486 HB ILE 66 HB ILE 66 -7.159 -2.040 11.908 487 HG12 ILE 66 HG12 ILE 66 -5.612 -1.883 9.307 488 HG13 ILE 66 HG11 ILE 66 -7.341 -2.183 9.435 489 HG21 ILE 66 HG21 ILE 66 -4.992 -1.992 12.985 490 HG22 ILE 66 HG22 ILE 66 -5.183 -0.561 11.973 491 HG23 ILE 66 HG23 ILE 66 -4.185 -1.905 11.421 492 HD11 ILE 66 HD11 ILE 66 -6.881 0.125 8.855 493 HD12 ILE 66 HD12 ILE 66 -5.912 0.312 10.316 494 HD13 ILE 66 HD13 ILE 66 -7.645 0.015 10.440 495 H VAL 67 HN VAL 67 -6.615 -4.465 8.875 496 HA VAL 67 HA VAL 67 -8.320 -5.313 7.658 497 HB VAL 67 HB VAL 67 -9.203 -6.601 10.246 498 HG11 VAL 67 HG11 VAL 67 -10.954 -6.620 8.559 499 HG12 VAL 67 HG12 VAL 67 -10.300 -8.242 8.780 500 HG13 VAL 67 HG13 VAL 67 -9.830 -7.287 7.375 501 HG21 VAL 67 HG21 VAL 67 -7.958 -8.563 9.460 502 HG22 VAL 67 HG22 VAL 67 -6.897 -7.175 9.701 503 HG23 VAL 67 HG23 VAL 67 -7.386 -7.638 8.072 Start of MODEL 21 1 H1 GLY 1 HT1 GLY 1 -6.019 -18.349 -0.144 2 H2 GLY 1 HT2 GLY 1 -4.733 -18.588 -1.212 3 H3 GLY 1 HT3 GLY 1 -6.320 -18.571 -1.790 4 HA2 GLY 1 HA1 GLY 1 -4.887 -16.268 -0.598 5 HA3 GLY 1 HA2 GLY 1 -5.199 -16.503 -2.311 6 H SER 2 HN SER 2 -6.604 -15.699 0.791 7 HA SER 2 HA SER 2 -8.711 -14.245 -0.485 8 HB2 SER 2 HB2 SER 2 -10.574 -15.544 0.599 9 HB3 SER 2 HB1 SER 2 -9.748 -16.394 -0.708 10 HG SER 2 HG SER 2 -10.176 -17.364 1.603 11 H HIS 3 HN HIS 3 -6.547 -14.191 1.791 12 HA HIS 3 HA HIS 3 -7.954 -13.692 4.187 13 HB2 HIS 3 HB2 HIS 3 -5.226 -12.908 3.225 14 HB3 HIS 3 HB1 HIS 3 -5.854 -12.240 4.724 15 HD2 HIS 3 HD2 HIS 3 -4.618 -15.632 3.266 16 HE1 HIS 3 HE1 HIS 3 -5.136 -16.018 7.445 17 HE2 HIS 3 HE2 HIS 3 -4.095 -17.042 5.378 18 H MET 4 HN MET 4 -6.369 -11.208 2.174 19 HA MET 4 HA MET 4 -6.922 -9.074 1.636 20 HB2 MET 4 HB2 MET 4 -9.737 -9.972 2.271 21 HB3 MET 4 HB1 MET 4 -9.316 -8.456 1.484 22 HG2 MET 4 HG2 MET 4 -8.335 -9.697 -0.378 23 HG3 MET 4 HG1 MET 4 -8.767 -11.213 0.407 24 HE1 MET 4 HE1 MET 4 -11.297 -11.939 0.893 25 HE2 MET 4 HE2 MET 4 -12.699 -11.004 0.371 26 HE3 MET 4 HE3 MET 4 -11.650 -10.381 1.642 27 H LEU 5 HN LEU 5 -6.098 -7.621 2.983 28 HA LEU 5 HA LEU 5 -7.418 -7.148 5.542 29 HB2 LEU 5 HB2 LEU 5 -5.184 -7.231 6.700 30 HB3 LEU 5 HB1 LEU 5 -5.847 -8.779 6.217 31 HG LEU 5 HG LEU 5 -3.887 -7.428 4.404 32 HD11 LEU 5 HD11 LEU 5 -2.812 -7.288 6.566 33 HD12 LEU 5 HD12 LEU 5 -2.047 -8.543 5.592 34 HD13 LEU 5 HD13 LEU 5 -3.168 -8.987 6.879 35 HD21 LEU 5 HD21 LEU 5 -5.005 -9.468 3.658 36 HD22 LEU 5 HD22 LEU 5 -4.435 -10.312 5.099 37 HD23 LEU 5 HD23 LEU 5 -3.278 -9.742 3.895 38 H GLN 6 HN GLN 6 -6.999 -5.133 6.449 39 HA GLN 6 HA GLN 6 -5.639 -3.252 4.662 40 HB2 GLN 6 HB2 GLN 6 -8.032 -2.805 5.232 41 HB3 GLN 6 HB1 GLN 6 -7.559 -2.646 6.918 42 HG2 GLN 6 HG2 GLN 6 -6.338 -0.689 6.506 43 HG3 GLN 6 HG1 GLN 6 -6.341 -0.958 4.764 44 HE21 GLN 6 HE21 GLN 6 -8.184 0.152 7.494 45 HE22 GLN 6 HE22 GLN 6 -9.452 0.893 6.587 46 H VAL 7 HN VAL 7 -3.758 -2.431 5.260 47 HA VAL 7 HA VAL 7 -2.867 -2.953 8.016 48 HB VAL 7 HB VAL 7 -0.599 -3.221 7.182 49 HG11 VAL 7 HG11 VAL 7 -1.968 -5.214 7.298 50 HG12 VAL 7 HG12 VAL 7 -0.880 -5.309 5.916 51 HG13 VAL 7 HG13 VAL 7 -2.581 -4.919 5.671 52 HG21 VAL 7 HG21 VAL 7 -0.693 -1.698 5.278 53 HG22 VAL 7 HG22 VAL 7 -1.772 -2.811 4.430 54 HG23 VAL 7 HG23 VAL 7 -0.111 -3.289 4.783 55 H ARG 8 HN ARG 8 -1.406 -1.482 8.952 56 HA ARG 8 HA ARG 8 -1.345 1.177 7.683 57 HB2 ARG 8 HB2 ARG 8 -1.185 0.576 10.643 58 HB3 ARG 8 HB1 ARG 8 -1.273 2.164 9.895 59 HG2 ARG 8 HG2 ARG 8 -3.521 1.496 8.995 60 HG3 ARG 8 HG1 ARG 8 -3.422 0.070 10.027 61 HD2 ARG 8 HD2 ARG 8 -3.354 2.944 10.926 62 HD3 ARG 8 HD1 ARG 8 -4.696 1.821 11.112 63 HE ARG 8 HE ARG 8 -2.167 1.081 12.357 64 HH11 ARG 8 HH11 ARG 8 -5.397 2.378 12.697 65 HH12 ARG 8 HH12 ARG 8 -5.437 2.182 14.417 66 HH21 ARG 8 HH21 ARG 8 -2.210 0.829 14.640 67 HH22 ARG 8 HH22 ARG 8 -3.626 1.301 15.522 68 H ALA 9 HN ALA 9 0.601 1.334 6.766 69 HA ALA 9 HA ALA 9 2.903 0.189 8.184 70 HB1 ALA 9 HB1 ALA 9 2.662 0.885 5.264 71 HB2 ALA 9 HB2 ALA 9 2.476 -0.729 5.947 72 HB3 ALA 9 HB3 ALA 9 4.033 0.095 6.044 73 H THR 10 HN THR 10 4.505 1.468 8.886 74 HA THR 10 HA THR 10 4.356 4.316 8.175 75 HB THR 10 HB THR 10 6.018 4.471 10.177 76 HG1 THR 10 HG1 THR 10 4.696 2.104 10.996 77 HG21 THR 10 HG21 THR 10 3.116 3.755 10.599 78 HG22 THR 10 HG22 THR 10 3.753 5.360 10.246 79 HG23 THR 10 HG23 THR 10 4.148 4.572 11.773 80 H LYS 11 HN LYS 11 5.497 4.511 6.349 81 HA LYS 11 HA LYS 11 8.332 4.478 6.481 82 HB2 LYS 11 HB2 LYS 11 7.844 2.051 6.086 83 HB3 LYS 11 HB1 LYS 11 7.038 2.494 4.590 84 HG2 LYS 11 HG2 LYS 11 9.091 3.273 3.639 85 HG3 LYS 11 HG1 LYS 11 9.934 3.067 5.177 86 HD2 LYS 11 HD2 LYS 11 9.477 0.644 5.065 87 HD3 LYS 11 HD1 LYS 11 8.722 0.881 3.490 88 HE2 LYS 11 HE2 LYS 11 10.818 1.676 2.570 89 HE3 LYS 11 HE1 LYS 11 11.585 1.562 4.153 90 HZ1 LYS 11 HZ1 LYS 11 11.177 -0.843 4.103 91 HZ2 LYS 11 HZ2 LYS 11 12.167 -0.339 2.826 92 HZ3 LYS 11 HZ3 LYS 11 10.542 -0.703 2.541 93 H ASP 12 HN ASP 12 9.157 5.865 4.929 94 HA ASP 12 HA ASP 12 7.304 7.274 3.230 95 HB2 ASP 12 HB2 ASP 12 10.315 7.433 3.517 96 HB3 ASP 12 HB1 ASP 12 9.388 8.446 2.417 97 H TYR 13 HN TYR 13 6.640 5.244 2.137 98 HA TYR 13 HA TYR 13 8.641 3.993 0.438 99 HB2 TYR 13 HB2 TYR 13 6.886 2.761 1.896 100 HB3 TYR 13 HB1 TYR 13 5.757 3.168 0.608 101 HD1 TYR 13 HD1 TYR 13 8.773 1.251 1.459 102 HD2 TYR 13 HD2 TYR 13 5.828 2.021 -1.510 103 HE1 TYR 13 HE1 TYR 13 9.535 -0.719 0.203 104 HE2 TYR 13 HE2 TYR 13 6.580 0.050 -2.775 105 HH TYR 13 HH TYR 13 8.674 -2.292 -1.467 106 H CYS 14 HN CYS 14 8.438 3.773 -1.779 107 HA CYS 14 HA CYS 14 8.003 4.370 -3.910 108 HB2 CYS 14 HB2 CYS 14 5.660 3.773 -3.388 109 HB3 CYS 14 HB1 CYS 14 5.373 5.428 -2.866 110 HG CYS 14 HG CYS 14 5.471 6.583 -5.298 111 H ASN 15 HN ASN 15 9.592 5.836 -4.162 112 HA ASN 15 HA ASN 15 8.828 8.659 -3.820 113 HB2 ASN 15 HB2 ASN 15 11.556 7.410 -3.452 114 HB3 ASN 15 HB1 ASN 15 11.268 9.146 -3.515 115 HD21 ASN 15 HD21 ASN 15 10.978 6.263 -1.645 116 HD22 ASN 15 HD22 ASN 15 10.473 7.014 -0.171 117 H ASN 16 HN ASN 16 8.586 6.761 -6.075 118 HA ASN 16 HA ASN 16 10.186 8.245 -8.043 119 HB2 ASN 16 HB2 ASN 16 9.117 5.423 -8.154 120 HB3 ASN 16 HB1 ASN 16 9.742 6.266 -9.567 121 HD21 ASN 16 HD21 ASN 16 10.754 3.847 -8.393 122 HD22 ASN 16 HD22 ASN 16 12.384 4.167 -7.911 123 H TYR 17 HN TYR 17 9.130 8.864 -10.016 124 HA TYR 17 HA TYR 17 6.624 10.023 -9.532 125 HB2 TYR 17 HB2 TYR 17 7.912 9.545 -12.225 126 HB3 TYR 17 HB1 TYR 17 6.660 10.722 -11.858 127 HD1 TYR 17 HD1 TYR 17 7.335 12.371 -9.850 128 HD2 TYR 17 HD2 TYR 17 10.072 10.339 -12.397 129 HE1 TYR 17 HE1 TYR 17 9.050 14.056 -9.345 130 HE2 TYR 17 HE2 TYR 17 11.793 12.021 -11.895 131 HH TYR 17 HH TYR 17 11.520 14.229 -9.351 132 H ASP 18 HN ASP 18 7.252 7.765 -12.201 133 HA ASP 18 HA ASP 18 4.562 6.687 -11.750 134 HB2 ASP 18 HB2 ASP 18 6.129 7.054 -14.288 135 HB3 ASP 18 HB1 ASP 18 4.759 5.950 -14.197 136 H LEU 19 HN LEU 19 4.639 4.865 -10.733 137 HA LEU 19 HA LEU 19 6.053 2.605 -11.718 138 HB2 LEU 19 HB2 LEU 19 7.896 3.770 -10.545 139 HB3 LEU 19 HB1 LEU 19 6.944 3.778 -9.075 140 HG LEU 19 HG LEU 19 7.031 1.318 -9.006 141 HD11 LEU 19 HD11 LEU 19 8.574 0.127 -10.504 142 HD12 LEU 19 HD12 LEU 19 8.807 1.613 -11.425 143 HD13 LEU 19 HD13 LEU 19 7.221 0.847 -11.375 144 HD21 LEU 19 HD21 LEU 19 9.392 1.123 -8.423 145 HD22 LEU 19 HD22 LEU 19 8.707 2.630 -7.818 146 HD23 LEU 19 HD23 LEU 19 9.729 2.640 -9.256 147 H THR 20 HN THR 20 5.550 0.683 -10.347 148 HA THR 20 HA THR 20 2.974 1.070 -9.001 149 HB THR 20 HB THR 20 4.248 -1.529 -9.894 150 HG1 THR 20 HG1 THR 20 3.431 0.343 -11.472 151 HG21 THR 20 HG21 THR 20 1.924 -2.369 -9.787 152 HG22 THR 20 HG22 THR 20 1.419 -0.811 -9.130 153 HG23 THR 20 HG23 THR 20 2.527 -1.836 -8.220 154 H SER 21 HN SER 21 3.354 1.529 -6.945 155 HA SER 21 HA SER 21 4.694 -0.307 -5.199 156 HB2 SER 21 HB2 SER 21 5.877 2.433 -5.726 157 HB3 SER 21 HB1 SER 21 6.291 1.440 -4.329 158 HG SER 21 HG SER 21 6.513 -0.050 -6.532 159 H LEU 22 HN LEU 22 4.377 0.286 -2.960 160 HA LEU 22 HA LEU 22 1.840 1.438 -2.485 161 HB2 LEU 22 HB2 LEU 22 4.054 0.670 -0.584 162 HB3 LEU 22 HB1 LEU 22 2.476 1.215 -0.065 163 HG LEU 22 HG LEU 22 2.429 -1.118 0.138 164 HD11 LEU 22 HD11 LEU 22 0.749 -1.840 -1.448 165 HD12 LEU 22 HD12 LEU 22 1.148 -0.495 -2.513 166 HD13 LEU 22 HD13 LEU 22 0.438 -0.184 -0.927 167 HD21 LEU 22 HD21 LEU 22 3.543 -1.330 -2.652 168 HD22 LEU 22 HD22 LEU 22 3.097 -2.675 -1.604 169 HD23 LEU 22 HD23 LEU 22 4.436 -1.617 -1.159 170 H ASN 23 HN ASN 23 1.544 3.546 -2.823 171 HA ASN 23 HA ASN 23 3.526 5.536 -2.278 172 HB2 ASN 23 HB2 ASN 23 1.732 5.743 -4.033 173 HB3 ASN 23 HB1 ASN 23 0.560 5.945 -2.735 174 HD21 ASN 23 HD21 ASN 23 0.550 7.855 -1.548 175 HD22 ASN 23 HD22 ASN 23 1.388 9.276 -2.076 176 H VAL 24 HN VAL 24 3.922 4.844 -0.054 177 HA VAL 24 HA VAL 24 1.831 5.575 1.868 178 HB VAL 24 HB VAL 24 4.507 4.323 2.481 179 HG11 VAL 24 HG11 VAL 24 3.399 3.592 4.535 180 HG12 VAL 24 HG12 VAL 24 1.918 4.403 4.025 181 HG13 VAL 24 HG13 VAL 24 3.366 5.350 4.373 182 HG21 VAL 24 HG21 VAL 24 1.893 2.939 1.899 183 HG22 VAL 24 HG22 VAL 24 3.338 2.159 2.542 184 HG23 VAL 24 HG23 VAL 24 3.363 2.864 0.927 185 H LYS 25 HN LYS 25 1.865 7.592 2.635 186 HA LYS 25 HA LYS 25 4.311 9.128 2.445 187 HB2 LYS 25 HB2 LYS 25 2.885 11.037 3.226 188 HB3 LYS 25 HB1 LYS 25 2.403 10.309 1.706 189 HG2 LYS 25 HG2 LYS 25 0.617 9.080 2.899 190 HG3 LYS 25 HG1 LYS 25 1.076 9.921 4.384 191 HD2 LYS 25 HD2 LYS 25 0.613 12.071 3.313 192 HD3 LYS 25 HD1 LYS 25 0.179 11.243 1.820 193 HE2 LYS 25 HE2 LYS 25 -1.829 11.869 2.975 194 HE3 LYS 25 HE1 LYS 25 -1.660 10.117 3.037 195 HZ1 LYS 25 HZ1 LYS 25 -2.308 11.399 5.158 196 HZ2 LYS 25 HZ2 LYS 25 -0.660 11.765 5.261 197 HZ3 LYS 25 HZ3 LYS 25 -1.171 10.148 5.265 198 H ALA 26 HN ALA 26 5.020 7.353 4.033 199 HA ALA 26 HA ALA 26 5.911 6.832 6.038 200 HB1 ALA 26 HB1 ALA 26 6.918 9.042 5.756 201 HB2 ALA 26 HB2 ALA 26 6.643 8.648 7.452 202 HB3 ALA 26 HB3 ALA 26 5.560 9.763 6.621 203 H GLY 27 HN GLY 27 3.602 5.831 6.149 204 HA2 GLY 27 HA2 GLY 27 2.508 4.931 8.084 205 HA3 GLY 27 HA1 GLY 27 2.649 6.510 8.842 206 H ASP 28 HN ASP 28 0.831 4.523 6.659 207 HA ASP 28 HA ASP 28 -1.447 6.240 7.024 208 HB2 ASP 28 HB2 ASP 28 0.037 6.978 4.936 209 HB3 ASP 28 HB1 ASP 28 -0.892 5.699 4.153 210 H ILE 29 HN ILE 29 -3.033 5.211 4.943 211 HA ILE 29 HA ILE 29 -3.463 2.538 6.090 212 HB ILE 29 HB ILE 29 -5.392 4.369 4.655 213 HG12 ILE 29 HG12 ILE 29 -4.741 5.249 6.840 214 HG13 ILE 29 HG11 ILE 29 -6.412 4.699 6.864 215 HG21 ILE 29 HG21 ILE 29 -7.129 2.823 5.407 216 HG22 ILE 29 HG22 ILE 29 -5.893 1.768 6.090 217 HG23 ILE 29 HG23 ILE 29 -5.966 2.026 4.348 218 HD11 ILE 29 HD11 ILE 29 -5.280 4.073 8.900 219 HD12 ILE 29 HD12 ILE 29 -4.036 3.229 7.978 220 HD13 ILE 29 HD13 ILE 29 -5.697 2.633 7.973 221 H ILE 30 HN ILE 30 -3.034 0.847 4.909 222 HA ILE 30 HA ILE 30 -3.193 1.050 1.968 223 HB ILE 30 HB ILE 30 -1.518 -0.936 3.499 224 HG12 ILE 30 HG12 ILE 30 -0.594 1.667 2.272 225 HG13 ILE 30 HG11 ILE 30 -0.778 1.380 3.999 226 HG21 ILE 30 HG21 ILE 30 -2.081 -1.565 1.222 227 HG22 ILE 30 HG22 ILE 30 -0.363 -1.184 1.346 228 HG23 ILE 30 HG23 ILE 30 -1.473 -0.021 0.627 229 HD11 ILE 30 HD11 ILE 30 1.536 1.182 3.363 230 HD12 ILE 30 HD12 ILE 30 1.127 -0.026 2.146 231 HD13 ILE 30 HD13 ILE 30 0.914 -0.394 3.858 232 H THR 31 HN THR 31 -4.672 -0.254 1.045 233 HA THR 31 HA THR 31 -5.855 -2.372 2.709 234 HB THR 31 HB THR 31 -6.976 -1.216 0.148 235 HG1 THR 31 HG1 THR 31 -7.590 -0.514 2.856 236 HG21 THR 31 HG21 THR 31 -7.849 -3.416 0.800 237 HG22 THR 31 HG22 THR 31 -9.082 -2.163 0.963 238 HG23 THR 31 HG23 THR 31 -8.256 -2.781 2.394 239 H VAL 32 HN VAL 32 -4.851 -4.272 2.356 240 HA VAL 32 HA VAL 32 -3.773 -4.745 -0.339 241 HB VAL 32 HB VAL 32 -2.011 -6.021 0.587 242 HG11 VAL 32 HG11 VAL 32 -0.901 -4.454 2.097 243 HG12 VAL 32 HG12 VAL 32 -2.435 -3.622 2.357 244 HG13 VAL 32 HG13 VAL 32 -1.689 -3.619 0.758 245 HG21 VAL 32 HG21 VAL 32 -3.348 -5.807 3.278 246 HG22 VAL 32 HG22 VAL 32 -1.797 -6.578 2.949 247 HG23 VAL 32 HG23 VAL 32 -3.279 -7.254 2.272 248 H LEU 33 HN LEU 33 -3.872 -6.841 -1.221 249 HA LEU 33 HA LEU 33 -5.887 -8.529 0.054 250 HB2 LEU 33 HB2 LEU 33 -6.382 -9.419 -2.273 251 HB3 LEU 33 HB1 LEU 33 -7.004 -7.845 -1.852 252 HG LEU 33 HG LEU 33 -6.229 -8.014 -4.182 253 HD11 LEU 33 HD11 LEU 33 -4.643 -6.068 -2.530 254 HD12 LEU 33 HD12 LEU 33 -6.292 -5.845 -3.112 255 HD13 LEU 33 HD13 LEU 33 -4.956 -5.950 -4.260 256 HD21 LEU 33 HD21 LEU 33 -3.486 -8.363 -2.994 257 HD22 LEU 33 HD22 LEU 33 -3.841 -8.064 -4.695 258 HD23 LEU 33 HD23 LEU 33 -4.387 -9.557 -3.928 259 H GLU 34 HN GLU 34 -5.659 -10.751 -0.085 260 HA GLU 34 HA GLU 34 -2.866 -11.596 -0.410 261 HB2 GLU 34 HB2 GLU 34 -3.855 -11.706 1.887 262 HB3 GLU 34 HB1 GLU 34 -5.054 -12.833 1.275 263 HG2 GLU 34 HG2 GLU 34 -2.143 -13.449 1.015 264 HG3 GLU 34 HG1 GLU 34 -2.982 -13.717 2.541 265 H GLN 35 HN GLN 35 -2.461 -12.993 -2.008 266 HA GLN 35 HA GLN 35 -4.484 -14.741 -3.077 267 HB2 GLN 35 HB2 GLN 35 -5.146 -12.653 -4.124 268 HB3 GLN 35 HB1 GLN 35 -3.499 -12.360 -4.660 269 HG2 GLN 35 HG2 GLN 35 -4.826 -13.107 -6.509 270 HG3 GLN 35 HG1 GLN 35 -3.644 -14.351 -6.104 271 HE21 GLN 35 HE21 GLN 35 -6.991 -13.462 -6.096 272 HE22 GLN 35 HE22 GLN 35 -7.624 -15.044 -5.794 273 H HIS 36 HN HIS 36 -1.357 -13.172 -3.635 274 HA HIS 36 HA HIS 36 -0.423 -15.307 -5.321 275 HB2 HIS 36 HB2 HIS 36 1.083 -12.964 -4.135 276 HB3 HIS 36 HB1 HIS 36 1.690 -14.047 -5.381 277 HD2 HIS 36 HD2 HIS 36 -1.343 -11.536 -5.051 278 HE1 HIS 36 HE1 HIS 36 0.147 -11.544 -9.007 279 HE2 HIS 36 HE2 HIS 36 -1.693 -10.705 -7.480 280 HA PRO 37 HA PRO 37 1.240 -17.616 -1.795 281 HB2 PRO 37 HB2 PRO 37 1.901 -19.607 -3.826 282 HB3 PRO 37 HB1 PRO 37 0.811 -19.754 -2.446 283 HG2 PRO 37 HG2 PRO 37 -0.071 -19.696 -5.005 284 HG3 PRO 37 HG1 PRO 37 -1.018 -19.056 -3.650 285 HD2 PRO 37 HD2 PRO 37 0.640 -17.588 -5.665 286 HD3 PRO 37 HD1 PRO 37 -0.951 -17.171 -4.993 287 H ASP 38 HN ASP 38 2.517 -16.202 -4.496 288 HA ASP 38 HA ASP 38 5.126 -17.121 -4.732 289 HB2 ASP 38 HB2 ASP 38 3.929 -15.483 -6.234 290 HB3 ASP 38 HB1 ASP 38 4.236 -14.249 -5.021 291 H GLY 39 HN GLY 39 3.729 -14.740 -2.547 292 HA2 GLY 39 HA2 GLY 39 4.807 -14.719 -0.293 293 HA3 GLY 39 HA1 GLY 39 6.331 -14.580 -1.162 294 H ARG 40 HN ARG 40 4.800 -12.851 -3.152 295 HA ARG 40 HA ARG 40 4.757 -10.407 -1.521 296 HB2 ARG 40 HB2 ARG 40 5.447 -9.176 -3.556 297 HB3 ARG 40 HB1 ARG 40 6.653 -10.329 -3.007 298 HG2 ARG 40 HG2 ARG 40 5.928 -11.901 -4.740 299 HG3 ARG 40 HG1 ARG 40 4.744 -10.717 -5.302 300 HD2 ARG 40 HD2 ARG 40 6.510 -9.158 -5.841 301 HD3 ARG 40 HD1 ARG 40 7.719 -10.254 -5.177 302 HE ARG 40 HE ARG 40 6.310 -11.596 -7.194 303 HH11 ARG 40 HH11 ARG 40 8.542 -8.930 -6.830 304 HH12 ARG 40 HH12 ARG 40 9.267 -9.153 -8.389 305 HH21 ARG 40 HH21 ARG 40 7.269 -11.902 -9.248 306 HH22 ARG 40 HH22 ARG 40 8.548 -10.850 -9.761 307 H TRP 41 HN TRP 41 3.061 -9.075 -1.703 308 HA TRP 41 HA TRP 41 0.872 -9.942 -3.484 309 HB2 TRP 41 HB2 TRP 41 0.561 -8.589 -0.795 310 HB3 TRP 41 HB1 TRP 41 -0.720 -9.254 -1.797 311 HD1 TRP 41 HD1 TRP 41 0.824 -12.099 -2.324 312 HE1 TRP 41 HE1 TRP 41 0.845 -13.817 -0.409 313 HE3 TRP 41 HE3 TRP 41 -0.162 -8.953 1.577 314 HZ2 TRP 41 HZ2 TRP 41 0.482 -13.824 2.400 315 HZ3 TRP 41 HZ3 TRP 41 -0.314 -9.888 3.841 316 HH2 TRP 41 HH2 TRP 41 -0.000 -12.275 4.245 317 H LYS 42 HN LYS 42 -0.659 -8.123 -3.994 318 HA LYS 42 HA LYS 42 0.783 -5.570 -4.075 319 HB2 LYS 42 HB2 LYS 42 -0.583 -4.951 -6.009 320 HB3 LYS 42 HB1 LYS 42 0.336 -6.413 -6.317 321 HG2 LYS 42 HG2 LYS 42 -1.682 -7.750 -5.914 322 HG3 LYS 42 HG1 LYS 42 -2.596 -6.263 -5.648 323 HD2 LYS 42 HD2 LYS 42 -2.066 -5.527 -7.920 324 HD3 LYS 42 HD1 LYS 42 -1.140 -7.004 -8.187 325 HE2 LYS 42 HE2 LYS 42 -3.292 -7.273 -9.199 326 HE3 LYS 42 HE1 LYS 42 -3.216 -8.305 -7.775 327 HZ1 LYS 42 HZ1 LYS 42 -4.456 -6.621 -6.550 328 HZ2 LYS 42 HZ2 LYS 42 -5.322 -7.162 -7.895 329 HZ3 LYS 42 HZ3 LYS 42 -4.549 -5.660 -7.936 330 H GLY 43 HN GLY 43 -0.187 -3.758 -3.320 331 HA2 GLY 43 HA2 GLY 43 -2.847 -4.110 -2.110 332 HA3 GLY 43 HA1 GLY 43 -1.514 -3.466 -1.165 333 H CYS 44 HN CYS 44 -3.971 -2.169 -1.652 334 HA CYS 44 HA CYS 44 -3.248 -0.053 -3.557 335 HB2 CYS 44 HB2 CYS 44 -5.916 -0.656 -2.268 336 HB3 CYS 44 HB1 CYS 44 -5.616 0.536 -3.528 337 HG CYS 44 HG CYS 44 -6.745 -2.335 -4.026 338 H ILE 45 HN ILE 45 -3.408 2.126 -2.924 339 HA ILE 45 HA ILE 45 -3.003 2.507 -0.043 340 HB ILE 45 HB ILE 45 -2.263 4.289 -2.374 341 HG12 ILE 45 HG12 ILE 45 -0.900 2.233 -2.186 342 HG13 ILE 45 HG11 ILE 45 0.040 3.688 -1.871 343 HG21 ILE 45 HG21 ILE 45 -2.778 5.604 -0.388 344 HG22 ILE 45 HG22 ILE 45 -1.051 5.647 -0.744 345 HG23 ILE 45 HG23 ILE 45 -1.656 4.626 0.560 346 HD11 ILE 45 HD11 ILE 45 -1.078 1.847 0.226 347 HD12 ILE 45 HD12 ILE 45 -0.089 3.276 0.514 348 HD13 ILE 45 HD13 ILE 45 0.595 1.887 -0.329 349 H HIS 46 HN HIS 46 -4.334 3.771 1.140 350 HA HIS 46 HA HIS 46 -6.492 5.159 -0.304 351 HB2 HIS 46 HB2 HIS 46 -7.215 3.542 1.417 352 HB3 HIS 46 HB1 HIS 46 -6.269 4.403 2.625 353 HD2 HIS 46 HD2 HIS 46 -9.131 5.570 0.148 354 HE1 HIS 46 HE1 HIS 46 -9.797 7.136 4.022 355 HE2 HIS 46 HE2 HIS 46 -10.742 6.907 1.683 356 H ASP 47 HN ASP 47 -5.799 7.165 -0.793 357 HA ASP 47 HA ASP 47 -3.987 8.528 1.010 358 HB2 ASP 47 HB2 ASP 47 -3.494 8.677 -1.359 359 HB3 ASP 47 HB1 ASP 47 -5.086 9.367 -1.674 360 H ASN 48 HN ASN 48 -4.408 10.255 2.209 361 HA ASN 48 HA ASN 48 -7.183 11.233 2.272 362 HB2 ASN 48 HB2 ASN 48 -6.702 11.764 4.699 363 HB3 ASN 48 HB1 ASN 48 -6.779 10.049 4.307 364 HD21 ASN 48 HD21 ASN 48 -4.923 8.830 4.309 365 HD22 ASN 48 HD22 ASN 48 -3.451 9.358 5.059 366 H ARG 49 HN ARG 49 -4.317 12.043 1.149 367 HA ARG 49 HA ARG 49 -4.066 14.712 2.221 368 HB2 ARG 49 HB2 ARG 49 -2.063 13.473 1.589 369 HB3 ARG 49 HB1 ARG 49 -2.644 13.333 -0.062 370 HG2 ARG 49 HG2 ARG 49 -2.484 15.751 -0.332 371 HG3 ARG 49 HG1 ARG 49 -1.921 15.901 1.336 372 HD2 ARG 49 HD2 ARG 49 0.039 14.568 0.816 373 HD3 ARG 49 HD1 ARG 49 -0.535 14.332 -0.833 374 HE ARG 49 HE ARG 49 -0.351 17.084 -0.328 375 HH11 ARG 49 HH11 ARG 49 1.714 14.291 -0.698 376 HH12 ARG 49 HH12 ARG 49 3.045 15.195 -1.345 377 HH21 ARG 49 HH21 ARG 49 1.410 18.288 -1.190 378 HH22 ARG 49 HH22 ARG 49 2.872 17.464 -1.626 379 H THR 50 HN THR 50 -4.943 13.260 -0.903 380 HA THR 50 HA THR 50 -6.734 15.478 -1.446 381 HB THR 50 HB THR 50 -4.492 14.889 -3.393 382 HG1 THR 50 HG1 THR 50 -4.612 16.561 -1.212 383 HG21 THR 50 HG21 THR 50 -6.569 15.689 -4.431 384 HG22 THR 50 HG22 THR 50 -5.290 16.899 -4.543 385 HG23 THR 50 HG23 THR 50 -6.574 17.080 -3.347 386 H GLY 51 HN GLY 51 -5.413 12.355 -2.182 387 HA2 GLY 51 HA2 GLY 51 -7.194 10.686 -2.799 388 HA3 GLY 51 HA1 GLY 51 -7.624 11.828 -4.067 389 H ASN 52 HN ASN 52 -4.339 11.263 -3.089 390 HA ASN 52 HA ASN 52 -3.682 10.438 -5.800 391 HB2 ASN 52 HB2 ASN 52 -1.904 11.121 -3.448 392 HB3 ASN 52 HB1 ASN 52 -1.346 10.801 -5.085 393 HD21 ASN 52 HD21 ASN 52 -3.510 12.196 -6.378 394 HD22 ASN 52 HD22 ASN 52 -3.230 13.884 -6.125 395 H ASP 53 HN ASP 53 -4.663 8.337 -5.590 396 HA ASP 53 HA ASP 53 -3.280 6.497 -3.766 397 HB2 ASP 53 HB2 ASP 53 -5.193 5.112 -3.837 398 HB3 ASP 53 HB1 ASP 53 -5.819 6.751 -3.720 399 H ARG 54 HN ARG 54 -2.473 4.539 -4.499 400 HA ARG 54 HA ARG 54 -2.743 3.720 -7.230 401 HB2 ARG 54 HB2 ARG 54 -0.412 3.770 -7.849 402 HB3 ARG 54 HB1 ARG 54 -0.896 5.392 -7.382 403 HG2 ARG 54 HG2 ARG 54 0.174 5.108 -5.220 404 HG3 ARG 54 HG1 ARG 54 0.627 3.457 -5.650 405 HD2 ARG 54 HD2 ARG 54 2.506 4.979 -5.963 406 HD3 ARG 54 HD1 ARG 54 1.976 4.310 -7.506 407 HE ARG 54 HE ARG 54 0.735 6.817 -6.923 408 HH11 ARG 54 HH11 ARG 54 3.660 5.359 -8.183 409 HH12 ARG 54 HH12 ARG 54 4.109 6.760 -9.108 410 HH21 ARG 54 HH21 ARG 54 1.322 8.650 -8.148 411 HH22 ARG 54 HH22 ARG 54 2.766 8.618 -9.111 412 H VAL 55 HN VAL 55 -1.500 1.636 -7.582 413 HA VAL 55 HA VAL 55 -1.649 0.078 -5.095 414 HB VAL 55 HB VAL 55 -3.182 -0.617 -6.901 415 HG11 VAL 55 HG11 VAL 55 -0.672 -1.172 -8.467 416 HG12 VAL 55 HG12 VAL 55 -1.891 0.047 -8.832 417 HG13 VAL 55 HG13 VAL 55 -2.298 -1.664 -8.937 418 HG21 VAL 55 HG21 VAL 55 -2.608 -3.007 -6.945 419 HG22 VAL 55 HG22 VAL 55 -2.424 -2.308 -5.337 420 HG23 VAL 55 HG23 VAL 55 -1.000 -2.621 -6.330 421 H GLY 56 HN GLY 56 -0.002 -1.442 -4.607 422 HA2 GLY 56 HA2 GLY 56 2.415 -1.343 -6.257 423 HA3 GLY 56 HA1 GLY 56 2.551 -0.765 -4.605 424 H TYR 57 HN TYR 57 4.119 -2.841 -5.469 425 HA TYR 57 HA TYR 57 2.843 -5.246 -4.357 426 HB2 TYR 57 HB2 TYR 57 5.297 -4.910 -6.087 427 HB3 TYR 57 HB1 TYR 57 4.837 -6.436 -5.342 428 HD1 TYR 57 HD1 TYR 57 2.926 -7.692 -6.157 429 HD2 TYR 57 HD2 TYR 57 4.036 -3.996 -7.943 430 HE1 TYR 57 HE1 TYR 57 1.473 -8.190 -8.074 431 HE2 TYR 57 HE2 TYR 57 2.588 -4.485 -9.869 432 HH TYR 57 HH TYR 57 0.286 -6.981 -9.842 433 H PHE 58 HN PHE 58 3.611 -6.215 -2.570 434 HA PHE 58 HA PHE 58 6.122 -5.254 -1.402 435 HB2 PHE 58 HB2 PHE 58 5.079 -5.050 0.820 436 HB3 PHE 58 HB1 PHE 58 4.344 -3.940 -0.330 437 HD1 PHE 58 HD1 PHE 58 2.118 -4.563 -1.353 438 HD2 PHE 58 HD2 PHE 58 3.797 -6.621 1.972 439 HE1 PHE 58 HE1 PHE 58 -0.097 -5.469 -0.798 440 HE2 PHE 58 HE2 PHE 58 1.584 -7.528 2.529 441 HZ PHE 58 HZ PHE 58 -0.364 -6.954 1.146 442 HA PRO 59 HA PRO 59 6.713 -9.578 -0.819 443 HB2 PRO 59 HB2 PRO 59 8.699 -9.539 1.018 444 HB3 PRO 59 HB1 PRO 59 8.944 -9.060 -0.663 445 HG2 PRO 59 HG2 PRO 59 8.541 -7.351 1.754 446 HG3 PRO 59 HG1 PRO 59 9.665 -7.129 0.402 447 HD2 PRO 59 HD2 PRO 59 7.300 -5.791 0.626 448 HD3 PRO 59 HD1 PRO 59 8.064 -6.170 -0.929 449 H SER 60 HN SER 60 4.485 -8.639 0.606 450 HA SER 60 HA SER 60 3.042 -9.087 2.262 451 HB2 SER 60 HB2 SER 60 3.056 -11.291 3.268 452 HB3 SER 60 HB1 SER 60 3.463 -11.410 1.560 453 HG SER 60 HG SER 60 5.758 -11.234 2.559 454 H SER 61 HN SER 61 2.612 -8.981 4.512 455 HA SER 61 HA SER 61 2.945 -8.273 6.639 456 HB2 SER 61 HB2 SER 61 4.399 -10.334 6.663 457 HB3 SER 61 HB1 SER 61 5.776 -9.290 6.320 458 HG SER 61 HG SER 61 5.314 -8.178 8.276 459 H LEU 62 HN LEU 62 2.951 -6.254 4.999 460 HA LEU 62 HA LEU 62 5.388 -4.699 5.221 461 HB2 LEU 62 HB2 LEU 62 4.086 -4.638 3.144 462 HB3 LEU 62 HB1 LEU 62 2.702 -4.019 4.021 463 HG LEU 62 HG LEU 62 3.967 -1.961 4.542 464 HD11 LEU 62 HD11 LEU 62 6.069 -1.511 3.379 465 HD12 LEU 62 HD12 LEU 62 6.076 -3.160 2.752 466 HD13 LEU 62 HD13 LEU 62 6.220 -2.875 4.486 467 HD21 LEU 62 HD21 LEU 62 2.512 -2.012 2.605 468 HD22 LEU 62 HD22 LEU 62 3.815 -2.673 1.618 469 HD23 LEU 62 HD23 LEU 62 3.944 -1.039 2.266 470 H GLY 63 HN GLY 63 1.977 -4.012 5.970 471 HA2 GLY 63 HA2 GLY 63 2.917 -2.387 8.240 472 HA3 GLY 63 HA1 GLY 63 1.435 -2.081 7.346 473 H GLU 64 HN GLU 64 1.371 -2.249 10.063 474 HA GLU 64 HA GLU 64 0.669 -4.888 10.913 475 HB2 GLU 64 HB2 GLU 64 0.186 -2.207 12.219 476 HB3 GLU 64 HB1 GLU 64 -0.139 -3.757 12.977 477 HG2 GLU 64 HG2 GLU 64 1.912 -3.090 13.856 478 HG3 GLU 64 HG1 GLU 64 2.328 -4.269 12.615 479 H ALA 65 HN ALA 65 -1.219 -5.878 10.666 480 HA ALA 65 HA ALA 65 -3.195 -4.543 9.052 481 HB1 ALA 65 HB1 ALA 65 -3.227 -7.373 10.072 482 HB2 ALA 65 HB2 ALA 65 -2.427 -6.853 8.592 483 HB3 ALA 65 HB3 ALA 65 -4.179 -6.703 8.745 484 H ILE 66 HN ILE 66 -5.065 -3.742 9.666 485 HA ILE 66 HA ILE 66 -6.054 -4.347 12.365 486 HB ILE 66 HB ILE 66 -7.616 -2.442 12.020 487 HG12 ILE 66 HG12 ILE 66 -6.029 -2.026 9.472 488 HG13 ILE 66 HG11 ILE 66 -7.731 -2.469 9.570 489 HG21 ILE 66 HG21 ILE 66 -4.699 -1.774 11.653 490 HG22 ILE 66 HG22 ILE 66 -5.502 -2.118 13.183 491 HG23 ILE 66 HG23 ILE 66 -5.938 -0.678 12.265 492 HD11 ILE 66 HD11 ILE 66 -6.523 0.117 10.524 493 HD12 ILE 66 HD12 ILE 66 -8.227 -0.322 10.616 494 HD13 ILE 66 HD13 ILE 66 -7.453 -0.117 9.044 495 H VAL 67 HN VAL 67 -6.509 -4.963 9.075 496 HA VAL 67 HA VAL 67 -7.949 -6.208 7.862 497 HB VAL 67 HB VAL 67 -9.001 -7.251 10.490 498 HG11 VAL 67 HG11 VAL 67 -8.984 -8.444 7.719 499 HG12 VAL 67 HG12 VAL 67 -10.391 -7.816 8.575 500 HG13 VAL 67 HG13 VAL 67 -9.558 -9.248 9.180 501 HG21 VAL 67 HG21 VAL 67 -6.688 -8.262 8.837 502 HG22 VAL 67 HG22 VAL 67 -7.349 -9.042 10.275 503 HG23 VAL 67 HG23 VAL 67 -6.567 -7.465 10.407 Start of MODEL 22 1 H1 GLY 1 HT1 GLY 1 -6.268 -16.417 1.867 2 H2 GLY 1 HT2 GLY 1 -7.256 -17.789 2.010 3 H3 GLY 1 HT3 GLY 1 -7.781 -16.302 2.624 4 HA2 GLY 1 HA1 GLY 1 -7.321 -16.913 -0.240 5 HA3 GLY 1 HA2 GLY 1 -8.894 -16.829 0.542 6 H SER 2 HN SER 2 -9.701 -15.107 -0.612 7 HA SER 2 HA SER 2 -8.180 -12.691 -0.945 8 HB2 SER 2 HB2 SER 2 -9.897 -13.511 -2.589 9 HB3 SER 2 HB1 SER 2 -11.142 -13.117 -1.404 10 HG SER 2 HG SER 2 -11.033 -11.142 -2.071 11 H HIS 3 HN HIS 3 -7.706 -12.376 1.324 12 HA HIS 3 HA HIS 3 -9.721 -11.908 3.248 13 HB2 HIS 3 HB2 HIS 3 -6.790 -11.230 3.159 14 HB3 HIS 3 HB1 HIS 3 -7.806 -10.807 4.532 15 HD2 HIS 3 HD2 HIS 3 -6.306 -13.972 2.812 16 HE1 HIS 3 HE1 HIS 3 -7.824 -15.017 6.618 17 HE2 HIS 3 HE2 HIS 3 -6.318 -15.738 4.715 18 H MET 4 HN MET 4 -7.848 -9.690 1.195 19 HA MET 4 HA MET 4 -8.008 -7.445 0.815 20 HB2 MET 4 HB2 MET 4 -10.914 -7.959 1.503 21 HB3 MET 4 HB1 MET 4 -10.305 -6.489 0.758 22 HG2 MET 4 HG2 MET 4 -10.119 -9.239 -0.447 23 HG3 MET 4 HG1 MET 4 -11.337 -8.031 -0.852 24 HE1 MET 4 HE1 MET 4 -10.627 -8.388 -3.419 25 HE2 MET 4 HE2 MET 4 -9.356 -9.518 -2.952 26 HE3 MET 4 HE3 MET 4 -8.984 -8.159 -4.013 27 H LEU 5 HN LEU 5 -6.667 -7.098 2.703 28 HA LEU 5 HA LEU 5 -8.158 -6.288 5.105 29 HB2 LEU 5 HB2 LEU 5 -6.097 -6.863 6.383 30 HB3 LEU 5 HB1 LEU 5 -6.895 -8.230 5.635 31 HG LEU 5 HG LEU 5 -4.612 -6.939 4.202 32 HD11 LEU 5 HD11 LEU 5 -3.762 -7.219 6.453 33 HD12 LEU 5 HD12 LEU 5 -3.053 -8.428 5.382 34 HD13 LEU 5 HD13 LEU 5 -4.349 -8.883 6.491 35 HD21 LEU 5 HD21 LEU 5 -4.238 -9.242 3.448 36 HD22 LEU 5 HD22 LEU 5 -5.876 -8.701 3.082 37 HD23 LEU 5 HD23 LEU 5 -5.588 -9.784 4.443 38 H GLN 6 HN GLN 6 -7.311 -4.584 6.357 39 HA GLN 6 HA GLN 6 -5.956 -2.562 4.727 40 HB2 GLN 6 HB2 GLN 6 -8.181 -1.943 5.465 41 HB3 GLN 6 HB1 GLN 6 -7.777 -2.335 7.128 42 HG2 GLN 6 HG2 GLN 6 -6.223 -0.495 7.226 43 HG3 GLN 6 HG1 GLN 6 -6.506 -0.135 5.523 44 HE21 GLN 6 HE21 GLN 6 -6.925 1.530 7.921 45 HE22 GLN 6 HE22 GLN 6 -8.587 2.002 7.874 46 H VAL 7 HN VAL 7 -3.901 -2.177 5.185 47 HA VAL 7 HA VAL 7 -2.942 -2.824 7.888 48 HB VAL 7 HB VAL 7 -0.731 -3.221 6.960 49 HG11 VAL 7 HG11 VAL 7 -1.221 -5.256 5.637 50 HG12 VAL 7 HG12 VAL 7 -2.910 -4.755 5.549 51 HG13 VAL 7 HG13 VAL 7 -2.180 -5.133 7.109 52 HG21 VAL 7 HG21 VAL 7 -0.346 -3.290 4.544 53 HG22 VAL 7 HG22 VAL 7 -0.783 -1.670 5.090 54 HG23 VAL 7 HG23 VAL 7 -1.976 -2.678 4.269 55 H ARG 8 HN ARG 8 -1.522 -1.474 8.897 56 HA ARG 8 HA ARG 8 -1.306 1.249 7.799 57 HB2 ARG 8 HB2 ARG 8 -2.609 1.128 9.863 58 HB3 ARG 8 HB1 ARG 8 -1.307 0.259 10.661 59 HG2 ARG 8 HG2 ARG 8 0.128 2.251 10.411 60 HG3 ARG 8 HG1 ARG 8 -1.244 3.116 9.712 61 HD2 ARG 8 HD2 ARG 8 -1.034 3.636 12.077 62 HD3 ARG 8 HD1 ARG 8 -2.518 2.735 11.775 63 HE ARG 8 HE ARG 8 -0.157 1.234 12.641 64 HH11 ARG 8 HH11 ARG 8 -3.269 2.624 13.457 65 HH12 ARG 8 HH12 ARG 8 -3.485 1.634 14.864 66 HH21 ARG 8 HH21 ARG 8 -0.420 -0.052 14.484 67 HH22 ARG 8 HH22 ARG 8 -1.859 0.100 15.451 68 H ALA 9 HN ALA 9 0.669 1.608 6.998 69 HA ALA 9 HA ALA 9 2.956 0.330 8.346 70 HB1 ALA 9 HB1 ALA 9 2.693 0.985 5.414 71 HB2 ALA 9 HB2 ALA 9 2.556 -0.623 6.127 72 HB3 ALA 9 HB3 ALA 9 4.092 0.243 6.193 73 H THR 10 HN THR 10 4.460 1.668 9.137 74 HA THR 10 HA THR 10 4.305 4.490 8.338 75 HB THR 10 HB THR 10 5.700 4.835 10.452 76 HG1 THR 10 HG1 THR 10 4.695 2.480 11.507 77 HG21 THR 10 HG21 THR 10 3.326 5.376 10.361 78 HG22 THR 10 HG22 THR 10 3.737 4.684 11.928 79 HG23 THR 10 HG23 THR 10 2.913 3.700 10.717 80 H LYS 11 HN LYS 11 5.554 4.503 6.550 81 HA LYS 11 HA LYS 11 8.316 4.931 6.988 82 HB2 LYS 11 HB2 LYS 11 8.302 2.434 6.735 83 HB3 LYS 11 HB1 LYS 11 7.592 2.641 5.141 84 HG2 LYS 11 HG2 LYS 11 9.593 3.932 4.463 85 HG3 LYS 11 HG1 LYS 11 10.310 3.572 6.035 86 HD2 LYS 11 HD2 LYS 11 10.136 1.166 5.534 87 HD3 LYS 11 HD1 LYS 11 9.476 1.561 3.947 88 HE2 LYS 11 HE2 LYS 11 12.214 2.306 4.977 89 HE3 LYS 11 HE1 LYS 11 11.853 1.046 3.800 90 HZ1 LYS 11 HZ1 LYS 11 11.417 3.961 3.435 91 HZ2 LYS 11 HZ2 LYS 11 10.985 2.770 2.314 92 HZ3 LYS 11 HZ3 LYS 11 12.612 3.023 2.694 93 H ASP 12 HN ASP 12 9.158 6.194 5.249 94 HA ASP 12 HA ASP 12 7.179 7.212 3.435 95 HB2 ASP 12 HB2 ASP 12 8.998 8.620 2.526 96 HB3 ASP 12 HB1 ASP 12 8.853 8.758 4.273 97 H TYR 13 HN TYR 13 6.505 5.948 1.892 98 HA TYR 13 HA TYR 13 8.450 4.388 0.346 99 HB2 TYR 13 HB2 TYR 13 5.510 4.066 0.842 100 HB3 TYR 13 HB1 TYR 13 6.246 3.348 -0.582 101 HD1 TYR 13 HD1 TYR 13 5.876 3.172 3.024 102 HD2 TYR 13 HD2 TYR 13 7.906 1.529 -0.329 103 HE1 TYR 13 HE1 TYR 13 6.542 1.237 4.385 104 HE2 TYR 13 HE2 TYR 13 8.581 -0.410 1.020 105 HH TYR 13 HH TYR 13 8.846 -1.095 3.276 106 H CYS 14 HN CYS 14 9.184 5.599 -1.252 107 HA CYS 14 HA CYS 14 9.260 6.768 -3.192 108 HB2 CYS 14 HB2 CYS 14 7.594 5.159 -3.999 109 HB3 CYS 14 HB1 CYS 14 6.304 6.147 -3.328 110 HG CYS 14 HG CYS 14 6.366 8.105 -5.152 111 H ASN 15 HN ASN 15 9.726 8.521 -1.679 112 HA ASN 15 HA ASN 15 7.656 10.343 -0.933 113 HB2 ASN 15 HB2 ASN 15 9.694 10.097 0.415 114 HB3 ASN 15 HB1 ASN 15 10.662 10.697 -0.928 115 HD21 ASN 15 HD21 ASN 15 8.357 11.519 1.536 116 HD22 ASN 15 HD22 ASN 15 8.573 13.232 1.445 117 H ASN 16 HN ASN 16 10.523 10.939 -2.980 118 HA ASN 16 HA ASN 16 8.767 12.418 -4.822 119 HB2 ASN 16 HB2 ASN 16 11.471 13.287 -3.798 120 HB3 ASN 16 HB1 ASN 16 10.723 13.980 -5.229 121 HD21 ASN 16 HD21 ASN 16 8.021 13.834 -4.050 122 HD22 ASN 16 HD22 ASN 16 7.962 15.117 -2.893 123 H TYR 17 HN TYR 17 12.102 11.226 -4.514 124 HA TYR 17 HA TYR 17 11.803 9.884 -7.105 125 HB2 TYR 17 HB2 TYR 17 14.142 11.602 -6.241 126 HB3 TYR 17 HB1 TYR 17 14.172 10.526 -7.632 127 HD1 TYR 17 HD1 TYR 17 12.842 13.671 -6.290 128 HD2 TYR 17 HD2 TYR 17 12.964 11.073 -9.658 129 HE1 TYR 17 HE1 TYR 17 11.915 15.460 -7.697 130 HE2 TYR 17 HE2 TYR 17 12.042 12.858 -11.072 131 HH TYR 17 HH TYR 17 10.704 14.899 -10.816 132 H ASP 18 HN ASP 18 11.456 8.015 -5.790 133 HA ASP 18 HA ASP 18 13.955 6.894 -4.734 134 HB2 ASP 18 HB2 ASP 18 11.243 6.707 -3.408 135 HB3 ASP 18 HB1 ASP 18 12.669 5.811 -2.907 136 H LEU 19 HN LEU 19 14.006 4.548 -4.729 137 HA LEU 19 HA LEU 19 12.271 3.449 -6.831 138 HB2 LEU 19 HB2 LEU 19 14.901 2.403 -5.781 139 HB3 LEU 19 HB1 LEU 19 13.987 1.731 -7.118 140 HG LEU 19 HG LEU 19 15.282 4.459 -7.067 141 HD11 LEU 19 HD11 LEU 19 16.011 1.949 -8.565 142 HD12 LEU 19 HD12 LEU 19 16.904 2.653 -7.217 143 HD13 LEU 19 HD13 LEU 19 16.786 3.524 -8.744 144 HD21 LEU 19 HD21 LEU 19 13.767 3.029 -9.246 145 HD22 LEU 19 HD22 LEU 19 14.680 4.524 -9.453 146 HD23 LEU 19 HD23 LEU 19 13.263 4.494 -8.401 147 H THR 20 HN THR 20 10.543 2.617 -5.896 148 HA THR 20 HA THR 20 10.702 0.362 -4.177 149 HB THR 20 HB THR 20 11.146 2.207 -2.533 150 HG1 THR 20 HG1 THR 20 8.582 1.049 -2.066 151 HG21 THR 20 HG21 THR 20 8.368 3.067 -3.333 152 HG22 THR 20 HG22 THR 20 9.860 3.985 -3.534 153 HG23 THR 20 HG23 THR 20 9.234 3.662 -1.918 154 H SER 21 HN SER 21 8.493 -0.396 -3.609 155 HA SER 21 HA SER 21 6.490 0.611 -5.500 156 HB2 SER 21 HB2 SER 21 7.176 -1.889 -5.371 157 HB3 SER 21 HB1 SER 21 6.238 -1.917 -3.877 158 HG SER 21 HG SER 21 5.324 -1.246 -6.481 159 H LEU 22 HN LEU 22 4.225 0.641 -4.617 160 HA LEU 22 HA LEU 22 2.659 1.444 -3.188 161 HB2 LEU 22 HB2 LEU 22 4.709 0.720 -1.108 162 HB3 LEU 22 HB1 LEU 22 3.225 1.545 -0.686 163 HG LEU 22 HG LEU 22 2.920 -0.762 -0.216 164 HD11 LEU 22 HD11 LEU 22 1.532 -0.146 -2.815 165 HD12 LEU 22 HD12 LEU 22 1.000 0.358 -1.211 166 HD13 LEU 22 HD13 LEU 22 1.040 -1.356 -1.630 167 HD21 LEU 22 HD21 LEU 22 3.853 -1.306 -3.025 168 HD22 LEU 22 HD22 LEU 22 3.158 -2.510 -1.942 169 HD23 LEU 22 HD23 LEU 22 4.684 -1.730 -1.531 170 H ASN 23 HN ASN 23 2.047 3.428 -2.304 171 HA ASN 23 HA ASN 23 4.163 5.478 -2.285 172 HB2 ASN 23 HB2 ASN 23 1.327 5.733 -3.303 173 HB3 ASN 23 HB1 ASN 23 2.416 7.092 -3.075 174 HD21 ASN 23 HD21 ASN 23 4.730 5.455 -3.975 175 HD22 ASN 23 HD22 ASN 23 4.579 5.392 -5.699 176 H VAL 24 HN VAL 24 4.202 4.848 0.011 177 HA VAL 24 HA VAL 24 1.889 5.746 1.579 178 HB VAL 24 HB VAL 24 4.345 4.363 2.638 179 HG11 VAL 24 HG11 VAL 24 2.907 5.453 4.286 180 HG12 VAL 24 HG12 VAL 24 2.885 3.699 4.464 181 HG13 VAL 24 HG13 VAL 24 1.529 4.524 3.695 182 HG21 VAL 24 HG21 VAL 24 3.391 2.978 0.863 183 HG22 VAL 24 HG22 VAL 24 1.817 3.047 1.657 184 HG23 VAL 24 HG23 VAL 24 3.173 2.241 2.449 185 H LYS 25 HN LYS 25 1.948 7.666 2.590 186 HA LYS 25 HA LYS 25 4.425 9.174 2.518 187 HB2 LYS 25 HB2 LYS 25 3.026 11.085 3.263 188 HB3 LYS 25 HB1 LYS 25 2.485 10.357 1.761 189 HG2 LYS 25 HG2 LYS 25 0.670 9.247 2.905 190 HG3 LYS 25 HG1 LYS 25 1.251 9.847 4.462 191 HD2 LYS 25 HD2 LYS 25 0.876 12.142 3.731 192 HD3 LYS 25 HD1 LYS 25 0.342 11.567 2.154 193 HE2 LYS 25 HE2 LYS 25 -1.578 12.131 3.492 194 HE3 LYS 25 HE1 LYS 25 -1.526 10.386 3.255 195 HZ1 LYS 25 HZ1 LYS 25 -2.069 11.083 5.547 196 HZ2 LYS 25 HZ2 LYS 25 -0.524 11.754 5.688 197 HZ3 LYS 25 HZ3 LYS 25 -0.707 10.088 5.451 198 H ALA 26 HN ALA 26 4.915 7.240 4.148 199 HA ALA 26 HA ALA 26 5.628 6.643 6.212 200 HB1 ALA 26 HB1 ALA 26 6.576 8.415 7.582 201 HB2 ALA 26 HB2 ALA 26 5.732 9.625 6.619 202 HB3 ALA 26 HB3 ALA 26 6.990 8.631 5.882 203 H GLY 27 HN GLY 27 3.515 5.728 6.651 204 HA2 GLY 27 HA2 GLY 27 2.267 5.280 8.631 205 HA3 GLY 27 HA1 GLY 27 2.387 6.983 9.049 206 H ASP 28 HN ASP 28 1.074 4.899 6.484 207 HA ASP 28 HA ASP 28 -1.401 6.433 6.652 208 HB2 ASP 28 HB2 ASP 28 0.254 7.164 4.729 209 HB3 ASP 28 HB1 ASP 28 -0.412 5.747 3.921 210 H ILE 29 HN ILE 29 -2.832 5.258 4.664 211 HA ILE 29 HA ILE 29 -3.124 2.598 5.873 212 HB ILE 29 HB ILE 29 -5.159 4.444 4.631 213 HG12 ILE 29 HG12 ILE 29 -4.519 5.077 6.881 214 HG13 ILE 29 HG11 ILE 29 -6.147 4.409 6.900 215 HG21 ILE 29 HG21 ILE 29 -6.850 2.776 5.206 216 HG22 ILE 29 HG22 ILE 29 -5.577 1.666 5.715 217 HG23 ILE 29 HG23 ILE 29 -5.696 2.153 4.025 218 HD11 ILE 29 HD11 ILE 29 -5.206 2.261 7.684 219 HD12 ILE 29 HD12 ILE 29 -4.930 3.601 8.797 220 HD13 ILE 29 HD13 ILE 29 -3.620 3.027 7.767 221 H ILE 30 HN ILE 30 -2.785 0.891 4.705 222 HA ILE 30 HA ILE 30 -2.944 1.096 1.766 223 HB ILE 30 HB ILE 30 -1.367 -0.974 3.289 224 HG12 ILE 30 HG12 ILE 30 -0.301 1.605 2.127 225 HG13 ILE 30 HG11 ILE 30 -0.563 1.320 3.845 226 HG21 ILE 30 HG21 ILE 30 -0.187 -1.232 1.164 227 HG22 ILE 30 HG22 ILE 30 -1.206 0.014 0.447 228 HG23 ILE 30 HG23 ILE 30 -1.919 -1.509 0.976 229 HD11 ILE 30 HD11 ILE 30 1.350 -0.159 2.057 230 HD12 ILE 30 HD12 ILE 30 1.049 -0.532 3.756 231 HD13 ILE 30 HD13 ILE 30 1.761 1.018 3.304 232 H THR 31 HN THR 31 -4.385 -0.208 0.782 233 HA THR 31 HA THR 31 -5.767 -2.221 2.424 234 HB THR 31 HB THR 31 -6.656 -1.196 -0.277 235 HG1 THR 31 HG1 THR 31 -6.829 0.644 0.817 236 HG21 THR 31 HG21 THR 31 -7.701 -3.267 0.543 237 HG22 THR 31 HG22 THR 31 -8.856 -1.936 0.481 238 HG23 THR 31 HG23 THR 31 -8.170 -2.437 2.027 239 H VAL 32 HN VAL 32 -4.811 -4.152 2.211 240 HA VAL 32 HA VAL 32 -3.551 -4.778 -0.371 241 HB VAL 32 HB VAL 32 -1.965 -6.157 0.787 242 HG11 VAL 32 HG11 VAL 32 -0.833 -4.493 2.190 243 HG12 VAL 32 HG12 VAL 32 -2.305 -3.521 2.208 244 HG13 VAL 32 HG13 VAL 32 -1.444 -3.790 0.692 245 HG21 VAL 32 HG21 VAL 32 -3.442 -5.499 3.330 246 HG22 VAL 32 HG22 VAL 32 -1.953 -6.437 3.204 247 HG23 VAL 32 HG23 VAL 32 -3.449 -7.060 2.509 248 H LEU 33 HN LEU 33 -3.612 -6.944 -1.134 249 HA LEU 33 HA LEU 33 -5.788 -8.515 0.030 250 HB2 LEU 33 HB2 LEU 33 -6.339 -9.291 -2.324 251 HB3 LEU 33 HB1 LEU 33 -6.867 -7.699 -1.848 252 HG LEU 33 HG LEU 33 -6.099 -7.852 -4.192 253 HD11 LEU 33 HD11 LEU 33 -4.735 -5.841 -4.205 254 HD12 LEU 33 HD12 LEU 33 -4.448 -6.018 -2.474 255 HD13 LEU 33 HD13 LEU 33 -6.078 -5.711 -3.071 256 HD21 LEU 33 HD21 LEU 33 -3.354 -8.280 -3.036 257 HD22 LEU 33 HD22 LEU 33 -3.755 -8.034 -4.736 258 HD23 LEU 33 HD23 LEU 33 -4.306 -9.484 -3.901 259 H GLU 34 HN GLU 34 -5.707 -10.745 -0.240 260 HA GLU 34 HA GLU 34 -2.998 -11.784 -0.661 261 HB2 GLU 34 HB2 GLU 34 -3.960 -12.182 1.570 262 HB3 GLU 34 HB1 GLU 34 -5.349 -12.972 0.833 263 HG2 GLU 34 HG2 GLU 34 -3.773 -14.659 -0.122 264 HG3 GLU 34 HG1 GLU 34 -2.499 -13.925 0.850 265 H GLN 35 HN GLN 35 -2.751 -12.585 -2.649 266 HA GLN 35 HA GLN 35 -4.893 -14.248 -3.765 267 HB2 GLN 35 HB2 GLN 35 -3.504 -11.951 -5.134 268 HB3 GLN 35 HB1 GLN 35 -4.324 -13.223 -6.030 269 HG2 GLN 35 HG2 GLN 35 -5.656 -11.518 -3.942 270 HG3 GLN 35 HG1 GLN 35 -5.668 -11.156 -5.668 271 HE21 GLN 35 HE21 GLN 35 -6.793 -13.316 -3.180 272 HE22 GLN 35 HE22 GLN 35 -8.027 -14.074 -4.130 273 H HIS 36 HN HIS 36 -1.563 -13.127 -4.297 274 HA HIS 36 HA HIS 36 -0.886 -15.723 -5.448 275 HB2 HIS 36 HB2 HIS 36 0.643 -13.121 -5.282 276 HB3 HIS 36 HB1 HIS 36 1.324 -14.609 -5.930 277 HD2 HIS 36 HD2 HIS 36 -1.519 -12.045 -6.835 278 HE1 HIS 36 HE1 HIS 36 -0.344 -14.194 -10.285 279 HE2 HIS 36 HE2 HIS 36 -1.654 -12.204 -9.421 280 HA PRO 37 HA PRO 37 0.708 -16.745 -1.333 281 HB2 PRO 37 HB2 PRO 37 1.027 -19.410 -2.510 282 HB3 PRO 37 HB1 PRO 37 0.051 -18.911 -1.129 283 HG2 PRO 37 HG2 PRO 37 -1.055 -19.665 -3.468 284 HG3 PRO 37 HG1 PRO 37 -1.783 -18.424 -2.434 285 HD2 PRO 37 HD2 PRO 37 -0.127 -18.093 -4.910 286 HD3 PRO 37 HD1 PRO 37 -1.599 -17.231 -4.415 287 H ASP 38 HN ASP 38 2.081 -16.545 -4.339 288 HA ASP 38 HA ASP 38 4.496 -17.902 -4.204 289 HB2 ASP 38 HB2 ASP 38 3.686 -16.839 -6.247 290 HB3 ASP 38 HB1 ASP 38 3.890 -15.248 -5.521 291 H GLY 39 HN GLY 39 3.608 -14.738 -2.908 292 HA2 GLY 39 HA2 GLY 39 4.984 -14.568 -0.687 293 HA3 GLY 39 HA1 GLY 39 6.314 -14.426 -1.825 294 H ARG 40 HN ARG 40 4.582 -12.942 -3.737 295 HA ARG 40 HA ARG 40 4.778 -10.370 -2.349 296 HB2 ARG 40 HB2 ARG 40 5.149 -9.321 -4.457 297 HB3 ARG 40 HB1 ARG 40 6.197 -10.729 -4.388 298 HG2 ARG 40 HG2 ARG 40 4.451 -11.953 -5.723 299 HG3 ARG 40 HG1 ARG 40 3.655 -10.397 -5.950 300 HD2 ARG 40 HD2 ARG 40 6.370 -11.263 -6.901 301 HD3 ARG 40 HD1 ARG 40 4.992 -10.740 -7.863 302 HE ARG 40 HE ARG 40 6.445 -8.899 -6.074 303 HH11 ARG 40 HH11 ARG 40 4.981 -9.633 -9.177 304 HH12 ARG 40 HH12 ARG 40 5.427 -8.113 -9.880 305 HH21 ARG 40 HH21 ARG 40 7.039 -6.914 -7.019 306 HH22 ARG 40 HH22 ARG 40 6.606 -6.582 -8.667 307 H TRP 41 HN TRP 41 3.028 -9.300 -1.876 308 HA TRP 41 HA TRP 41 0.504 -10.049 -3.174 309 HB2 TRP 41 HB2 TRP 41 1.031 -8.728 -0.508 310 HB3 TRP 41 HB1 TRP 41 -0.570 -8.951 -1.199 311 HD1 TRP 41 HD1 TRP 41 0.996 -12.035 -2.105 312 HE1 TRP 41 HE1 TRP 41 0.584 -13.883 -0.362 313 HE3 TRP 41 HE3 TRP 41 -0.578 -9.127 1.784 314 HZ2 TRP 41 HZ2 TRP 41 -0.298 -14.072 2.321 315 HZ3 TRP 41 HZ3 TRP 41 -1.191 -10.210 3.899 316 HH2 TRP 41 HH2 TRP 41 -1.055 -12.634 4.165 317 H LYS 42 HN LYS 42 -1.053 -8.208 -3.404 318 HA LYS 42 HA LYS 42 0.400 -5.798 -4.239 319 HB2 LYS 42 HB2 LYS 42 -2.311 -6.789 -5.137 320 HB3 LYS 42 HB1 LYS 42 -1.527 -5.318 -5.694 321 HG2 LYS 42 HG2 LYS 42 0.314 -6.703 -6.607 322 HG3 LYS 42 HG1 LYS 42 -0.594 -8.145 -6.146 323 HD2 LYS 42 HD2 LYS 42 -1.557 -5.996 -8.034 324 HD3 LYS 42 HD1 LYS 42 -0.906 -7.564 -8.518 325 HE2 LYS 42 HE2 LYS 42 -2.731 -8.684 -7.346 326 HE3 LYS 42 HE1 LYS 42 -3.375 -7.123 -6.844 327 HZ1 LYS 42 HZ1 LYS 42 -3.760 -6.561 -9.143 328 HZ2 LYS 42 HZ2 LYS 42 -4.533 -8.017 -8.772 329 HZ3 LYS 42 HZ3 LYS 42 -3.092 -8.029 -9.655 330 H GLY 43 HN GLY 43 -0.218 -3.832 -3.486 331 HA2 GLY 43 HA2 GLY 43 -2.468 -3.789 -1.590 332 HA3 GLY 43 HA1 GLY 43 -0.908 -3.121 -1.137 333 H CYS 44 HN CYS 44 -3.687 -1.996 -1.601 334 HA CYS 44 HA CYS 44 -2.993 0.039 -3.601 335 HB2 CYS 44 HB2 CYS 44 -5.661 -0.470 -2.270 336 HB3 CYS 44 HB1 CYS 44 -5.354 0.576 -3.652 337 HG CYS 44 HG CYS 44 -5.547 -2.807 -3.532 338 H ILE 45 HN ILE 45 -3.301 2.277 -3.036 339 HA ILE 45 HA ILE 45 -2.781 2.721 -0.181 340 HB ILE 45 HB ILE 45 -2.304 4.564 -2.536 341 HG12 ILE 45 HG12 ILE 45 -0.813 2.608 -2.554 342 HG13 ILE 45 HG11 ILE 45 0.076 4.085 -2.196 343 HG21 ILE 45 HG21 ILE 45 -1.030 5.941 -0.969 344 HG22 ILE 45 HG22 ILE 45 -1.473 4.854 0.349 345 HG23 ILE 45 HG23 ILE 45 -2.719 5.797 -0.473 346 HD11 ILE 45 HD11 ILE 45 -0.001 3.496 0.200 347 HD12 ILE 45 HD12 ILE 45 0.861 2.316 -0.787 348 HD13 ILE 45 HD13 ILE 45 -0.777 1.972 -0.233 349 H HIS 46 HN HIS 46 -4.033 4.073 1.036 350 HA HIS 46 HA HIS 46 -6.570 4.890 -0.206 351 HB2 HIS 46 HB2 HIS 46 -6.707 3.399 1.765 352 HB3 HIS 46 HB1 HIS 46 -5.827 4.586 2.719 353 HD2 HIS 46 HD2 HIS 46 -9.142 4.860 0.570 354 HE1 HIS 46 HE1 HIS 46 -9.679 6.655 4.361 355 HE2 HIS 46 HE2 HIS 46 -10.828 5.933 2.224 356 H ASP 47 HN ASP 47 -6.729 6.940 -0.770 357 HA ASP 47 HA ASP 47 -4.760 8.849 -0.150 358 HB2 ASP 47 HB2 ASP 47 -6.012 8.988 -2.226 359 HB3 ASP 47 HB1 ASP 47 -7.512 9.238 -1.337 360 H ASN 48 HN ASN 48 -4.673 8.874 2.132 361 HA ASN 48 HA ASN 48 -6.847 10.169 3.534 362 HB2 ASN 48 HB2 ASN 48 -4.073 9.314 4.374 363 HB3 ASN 48 HB1 ASN 48 -5.138 10.234 5.433 364 HD21 ASN 48 HD21 ASN 48 -4.507 7.166 3.951 365 HD22 ASN 48 HD22 ASN 48 -5.729 6.279 4.811 366 H ARG 49 HN ARG 49 -6.931 11.965 2.092 367 HA ARG 49 HA ARG 49 -6.738 14.203 1.765 368 HB2 ARG 49 HB2 ARG 49 -6.268 14.486 4.123 369 HB3 ARG 49 HB1 ARG 49 -4.587 14.040 3.878 370 HG2 ARG 49 HG2 ARG 49 -4.262 16.050 2.515 371 HG3 ARG 49 HG1 ARG 49 -5.946 16.502 2.801 372 HD2 ARG 49 HD2 ARG 49 -5.544 16.664 5.171 373 HD3 ARG 49 HD1 ARG 49 -3.899 16.067 4.968 374 HE ARG 49 HE ARG 49 -4.239 18.383 3.413 375 HH11 ARG 49 HH11 ARG 49 -4.055 17.383 6.756 376 HH12 ARG 49 HH12 ARG 49 -3.380 18.885 7.304 377 HH21 ARG 49 HH21 ARG 49 -3.353 20.378 4.137 378 HH22 ARG 49 HH22 ARG 49 -2.989 20.587 5.823 379 H THR 50 HN THR 50 -3.499 12.755 2.140 380 HA THR 50 HA THR 50 -2.855 13.729 -0.550 381 HB THR 50 HB THR 50 -0.482 14.144 0.420 382 HG1 THR 50 HG1 THR 50 -0.500 14.735 2.620 383 HG21 THR 50 HG21 THR 50 -1.060 16.467 0.982 384 HG22 THR 50 HG22 THR 50 -2.763 16.014 1.061 385 HG23 THR 50 HG23 THR 50 -1.897 15.920 -0.472 386 H GLY 51 HN GLY 51 -3.606 11.193 -0.306 387 HA2 GLY 51 HA2 GLY 51 -1.110 9.634 0.014 388 HA3 GLY 51 HA1 GLY 51 -2.710 8.996 0.354 389 H ASN 52 HN ASN 52 -3.824 10.307 -2.063 390 HA ASN 52 HA ASN 52 -4.271 9.814 -4.235 391 HB2 ASN 52 HB2 ASN 52 -1.384 9.024 -4.136 392 HB3 ASN 52 HB1 ASN 52 -2.346 8.591 -5.542 393 HD21 ASN 52 HD21 ASN 52 -2.889 11.510 -3.708 394 HD22 ASN 52 HD22 ASN 52 -2.329 12.601 -4.926 395 H ASP 53 HN ASP 53 -4.516 7.914 -5.775 396 HA ASP 53 HA ASP 53 -4.944 5.459 -4.203 397 HB2 ASP 53 HB2 ASP 53 -7.001 6.529 -5.150 398 HB3 ASP 53 HB1 ASP 53 -6.333 6.292 -6.762 399 H ARG 54 HN ARG 54 -3.222 4.209 -4.537 400 HA ARG 54 HA ARG 54 -2.418 3.644 -7.296 401 HB2 ARG 54 HB2 ARG 54 -0.571 4.456 -5.048 402 HB3 ARG 54 HB1 ARG 54 -0.012 3.686 -6.525 403 HG2 ARG 54 HG2 ARG 54 -1.527 6.286 -6.461 404 HG3 ARG 54 HG1 ARG 54 0.234 6.167 -6.480 405 HD2 ARG 54 HD2 ARG 54 -1.646 5.102 -8.585 406 HD3 ARG 54 HD1 ARG 54 -0.638 6.541 -8.724 407 HE ARG 54 HE ARG 54 1.077 4.457 -8.127 408 HH11 ARG 54 HH11 ARG 54 -1.148 5.280 -10.698 409 HH12 ARG 54 HH12 ARG 54 -0.260 4.419 -11.915 410 HH21 ARG 54 HH21 ARG 54 2.246 3.323 -9.714 411 HH22 ARG 54 HH22 ARG 54 1.679 3.301 -11.355 412 H VAL 55 HN VAL 55 -1.272 1.628 -7.533 413 HA VAL 55 HA VAL 55 -1.659 -0.196 -5.258 414 HB VAL 55 HB VAL 55 -3.140 -0.731 -7.161 415 HG11 VAL 55 HG11 VAL 55 -2.190 -1.611 -9.244 416 HG12 VAL 55 HG12 VAL 55 -0.579 -1.158 -8.686 417 HG13 VAL 55 HG13 VAL 55 -1.790 0.087 -8.991 418 HG21 VAL 55 HG21 VAL 55 -2.563 -3.110 -7.352 419 HG22 VAL 55 HG22 VAL 55 -2.411 -2.525 -5.695 420 HG23 VAL 55 HG23 VAL 55 -0.970 -2.769 -6.680 421 H GLY 56 HN GLY 56 0.011 -1.494 -4.672 422 HA2 GLY 56 HA2 GLY 56 2.477 -1.374 -6.274 423 HA3 GLY 56 HA1 GLY 56 2.527 -0.974 -4.563 424 H TYR 57 HN TYR 57 4.111 -2.956 -5.481 425 HA TYR 57 HA TYR 57 2.743 -5.448 -4.686 426 HB2 TYR 57 HB2 TYR 57 5.268 -5.137 -6.330 427 HB3 TYR 57 HB1 TYR 57 4.439 -6.647 -5.970 428 HD1 TYR 57 HD1 TYR 57 2.523 -7.335 -7.228 429 HD2 TYR 57 HD2 TYR 57 4.261 -3.511 -7.903 430 HE1 TYR 57 HE1 TYR 57 1.195 -7.097 -9.283 431 HE2 TYR 57 HE2 TYR 57 2.934 -3.261 -9.959 432 HH TYR 57 HH TYR 57 0.330 -5.327 -10.725 433 H PHE 58 HN PHE 58 3.351 -6.269 -2.769 434 HA PHE 58 HA PHE 58 5.988 -5.502 -1.710 435 HB2 PHE 58 HB2 PHE 58 5.069 -4.926 0.433 436 HB3 PHE 58 HB1 PHE 58 4.167 -4.026 -0.780 437 HD1 PHE 58 HD1 PHE 58 1.900 -4.928 -1.492 438 HD2 PHE 58 HD2 PHE 58 3.988 -6.324 1.943 439 HE1 PHE 58 HE1 PHE 58 -0.192 -5.854 -0.598 440 HE2 PHE 58 HE2 PHE 58 1.898 -7.251 2.843 441 HZ PHE 58 HZ PHE 58 -0.193 -7.019 1.572 442 HA PRO 59 HA PRO 59 6.249 -9.806 -0.507 443 HB2 PRO 59 HB2 PRO 59 7.885 -9.462 1.684 444 HB3 PRO 59 HB1 PRO 59 8.464 -9.562 0.018 445 HG2 PRO 59 HG2 PRO 59 7.999 -7.156 1.723 446 HG3 PRO 59 HG1 PRO 59 9.299 -7.478 0.563 447 HD2 PRO 59 HD2 PRO 59 7.218 -5.867 -0.019 448 HD3 PRO 59 HD1 PRO 59 8.003 -6.878 -1.249 449 H SER 60 HN SER 60 5.007 -11.028 0.762 450 HA SER 60 HA SER 60 2.894 -10.033 2.196 451 HB2 SER 60 HB2 SER 60 2.772 -12.381 3.175 452 HB3 SER 60 HB1 SER 60 2.825 -12.277 1.415 453 HG SER 60 HG SER 60 4.317 -13.794 1.930 454 H SER 61 HN SER 61 2.362 -9.803 4.360 455 HA SER 61 HA SER 61 2.610 -9.307 6.556 456 HB2 SER 61 HB2 SER 61 5.248 -10.783 6.430 457 HB3 SER 61 HB1 SER 61 4.293 -10.433 7.870 458 HG SER 61 HG SER 61 4.015 -12.431 6.005 459 H LEU 62 HN LEU 62 2.795 -7.089 5.938 460 HA LEU 62 HA LEU 62 5.498 -6.015 6.349 461 HB2 LEU 62 HB2 LEU 62 4.894 -5.872 3.973 462 HB3 LEU 62 HB1 LEU 62 3.447 -4.977 4.394 463 HG LEU 62 HG LEU 62 4.883 -3.158 5.305 464 HD11 LEU 62 HD11 LEU 62 6.872 -4.446 5.823 465 HD12 LEU 62 HD12 LEU 62 7.264 -3.143 4.702 466 HD13 LEU 62 HD13 LEU 62 7.115 -4.797 4.113 467 HD21 LEU 62 HD21 LEU 62 3.985 -3.035 3.038 468 HD22 LEU 62 HD22 LEU 62 5.399 -3.895 2.428 469 HD23 LEU 62 HD23 LEU 62 5.581 -2.291 3.135 470 H GLY 63 HN GLY 63 2.296 -4.521 5.899 471 HA2 GLY 63 HA2 GLY 63 2.865 -2.719 8.099 472 HA3 GLY 63 HA1 GLY 63 1.489 -2.636 7.011 473 H GLU 64 HN GLU 64 1.042 -2.176 9.609 474 HA GLU 64 HA GLU 64 0.335 -4.554 11.054 475 HB2 GLU 64 HB2 GLU 64 -0.496 -1.686 11.548 476 HB3 GLU 64 HB1 GLU 64 -0.645 -3.019 12.685 477 HG2 GLU 64 HG2 GLU 64 1.782 -3.230 12.764 478 HG3 GLU 64 HG1 GLU 64 1.938 -1.901 11.616 479 H ALA 65 HN ALA 65 -1.333 -5.781 10.482 480 HA ALA 65 HA ALA 65 -3.391 -4.759 8.747 481 HB1 ALA 65 HB1 ALA 65 -4.180 -7.040 8.634 482 HB2 ALA 65 HB2 ALA 65 -3.135 -7.497 9.980 483 HB3 ALA 65 HB3 ALA 65 -2.427 -7.007 8.442 484 H ILE 66 HN ILE 66 -4.266 -3.199 10.220 485 HA ILE 66 HA ILE 66 -5.627 -4.058 12.587 486 HB ILE 66 HB ILE 66 -6.626 -1.786 12.595 487 HG12 ILE 66 HG12 ILE 66 -4.994 -1.394 10.071 488 HG13 ILE 66 HG11 ILE 66 -6.750 -1.441 10.156 489 HG21 ILE 66 HG21 ILE 66 -4.512 -2.197 13.702 490 HG22 ILE 66 HG22 ILE 66 -4.506 -0.591 12.977 491 HG23 ILE 66 HG23 ILE 66 -3.639 -1.914 12.198 492 HD11 ILE 66 HD11 ILE 66 -6.735 0.573 11.534 493 HD12 ILE 66 HD12 ILE 66 -5.937 0.835 9.982 494 HD13 ILE 66 HD13 ILE 66 -4.974 0.617 11.444 495 H VAL 67 HN VAL 67 -6.403 -3.806 9.235 496 HA VAL 67 HA VAL 67 -8.175 -4.465 8.001 497 HB VAL 67 HB VAL 67 -9.113 -5.810 10.537 498 HG11 VAL 67 HG11 VAL 67 -9.962 -6.240 7.672 499 HG12 VAL 67 HG12 VAL 67 -10.940 -5.519 8.951 500 HG13 VAL 67 HG13 VAL 67 -10.469 -7.217 9.052 501 HG21 VAL 67 HG21 VAL 67 -8.138 -7.836 9.547 502 HG22 VAL 67 HG22 VAL 67 -6.919 -6.591 9.826 503 HG23 VAL 67 HG23 VAL 67 -7.534 -6.877 8.197 Start of MODEL 23 1 H1 GLY 1 HT1 GLY 1 -3.912 -16.738 1.021 2 H2 GLY 1 HT2 GLY 1 -3.582 -17.271 -0.553 3 H3 GLY 1 HT3 GLY 1 -3.736 -18.393 0.703 4 HA2 GLY 1 HA1 GLY 1 -5.720 -18.393 -0.642 5 HA3 GLY 1 HA2 GLY 1 -6.059 -17.810 0.982 6 H SER 2 HN SER 2 -7.345 -16.109 1.028 7 HA SER 2 HA SER 2 -6.889 -13.843 -0.691 8 HB2 SER 2 HB2 SER 2 -9.516 -15.344 -0.862 9 HB3 SER 2 HB1 SER 2 -9.166 -13.798 -1.631 10 HG SER 2 HG SER 2 -7.243 -15.495 -2.313 11 H HIS 3 HN HIS 3 -6.466 -13.597 1.816 12 HA HIS 3 HA HIS 3 -8.707 -13.233 3.512 13 HB2 HIS 3 HB2 HIS 3 -5.856 -12.272 3.716 14 HB3 HIS 3 HB1 HIS 3 -7.055 -11.980 4.971 15 HD2 HIS 3 HD2 HIS 3 -8.385 -14.951 5.092 16 HE1 HIS 3 HE1 HIS 3 -4.410 -16.179 5.855 17 HE2 HIS 3 HE2 HIS 3 -6.858 -16.720 6.216 18 H MET 4 HN MET 4 -6.561 -10.803 2.003 19 HA MET 4 HA MET 4 -6.873 -8.624 1.440 20 HB2 MET 4 HB2 MET 4 -9.748 -9.510 1.499 21 HB3 MET 4 HB1 MET 4 -9.323 -7.830 1.211 22 HG2 MET 4 HG2 MET 4 -9.761 -9.119 -0.848 23 HG3 MET 4 HG1 MET 4 -8.155 -8.401 -0.791 24 HE1 MET 4 HE1 MET 4 -7.823 -11.823 -2.807 25 HE2 MET 4 HE2 MET 4 -7.848 -10.065 -2.945 26 HE3 MET 4 HE3 MET 4 -9.347 -10.948 -2.679 27 H LEU 5 HN LEU 5 -6.172 -7.248 2.928 28 HA LEU 5 HA LEU 5 -7.778 -6.798 5.328 29 HB2 LEU 5 HB2 LEU 5 -5.779 -7.055 6.769 30 HB3 LEU 5 HB1 LEU 5 -6.319 -8.552 6.036 31 HG LEU 5 HG LEU 5 -4.144 -7.027 4.677 32 HD11 LEU 5 HD11 LEU 5 -2.463 -8.136 6.061 33 HD12 LEU 5 HD12 LEU 5 -3.737 -8.767 7.105 34 HD13 LEU 5 HD13 LEU 5 -3.452 -7.029 7.012 35 HD21 LEU 5 HD21 LEU 5 -3.387 -9.292 4.121 36 HD22 LEU 5 HD22 LEU 5 -5.059 -9.030 3.627 37 HD23 LEU 5 HD23 LEU 5 -4.707 -9.965 5.080 38 H GLN 6 HN GLN 6 -7.011 -4.976 6.607 39 HA GLN 6 HA GLN 6 -5.783 -2.923 4.910 40 HB2 GLN 6 HB2 GLN 6 -8.040 -2.427 5.767 41 HB3 GLN 6 HB1 GLN 6 -7.461 -2.642 7.411 42 HG2 GLN 6 HG2 GLN 6 -5.927 -0.751 7.099 43 HG3 GLN 6 HG1 GLN 6 -6.577 -0.515 5.477 44 HE21 GLN 6 HE21 GLN 6 -6.585 1.290 7.785 45 HE22 GLN 6 HE22 GLN 6 -8.247 1.674 8.076 46 H VAL 7 HN VAL 7 -3.811 -2.220 5.383 47 HA VAL 7 HA VAL 7 -2.757 -2.764 8.076 48 HB VAL 7 HB VAL 7 -0.521 -3.023 7.136 49 HG11 VAL 7 HG11 VAL 7 -0.846 -5.171 5.954 50 HG12 VAL 7 HG12 VAL 7 -2.572 -4.823 5.855 51 HG13 VAL 7 HG13 VAL 7 -1.804 -5.038 7.427 52 HG21 VAL 7 HG21 VAL 7 -1.861 -2.706 4.452 53 HG22 VAL 7 HG22 VAL 7 -0.199 -3.242 4.698 54 HG23 VAL 7 HG23 VAL 7 -0.680 -1.616 5.183 55 H ARG 8 HN ARG 8 -1.538 -1.197 9.041 56 HA ARG 8 HA ARG 8 -1.434 1.411 7.672 57 HB2 ARG 8 HB2 ARG 8 -1.484 0.769 10.630 58 HB3 ARG 8 HB1 ARG 8 -1.248 2.379 9.969 59 HG2 ARG 8 HG2 ARG 8 -3.468 2.199 8.880 60 HG3 ARG 8 HG1 ARG 8 -3.699 0.656 9.705 61 HD2 ARG 8 HD2 ARG 8 -4.767 2.537 10.890 62 HD3 ARG 8 HD1 ARG 8 -3.530 1.738 11.858 63 HE ARG 8 HE ARG 8 -2.039 3.611 11.251 64 HH11 ARG 8 HH11 ARG 8 -5.504 4.071 11.024 65 HH12 ARG 8 HH12 ARG 8 -5.406 5.795 11.186 66 HH21 ARG 8 HH21 ARG 8 -1.910 5.863 11.451 67 HH22 ARG 8 HH22 ARG 8 -3.363 6.817 11.423 68 H ALA 9 HN ALA 9 0.535 1.673 6.829 69 HA ALA 9 HA ALA 9 2.830 0.600 8.321 70 HB1 ALA 9 HB1 ALA 9 2.649 1.320 5.398 71 HB2 ALA 9 HB2 ALA 9 2.537 -0.310 6.060 72 HB3 ALA 9 HB3 ALA 9 4.040 0.601 6.210 73 H THR 10 HN THR 10 4.395 1.941 9.044 74 HA THR 10 HA THR 10 4.147 4.770 8.295 75 HB THR 10 HB THR 10 5.697 3.605 10.618 76 HG1 THR 10 HG1 THR 10 3.430 3.323 10.887 77 HG21 THR 10 HG21 THR 10 5.759 5.915 11.418 78 HG22 THR 10 HG22 THR 10 4.874 6.443 9.987 79 HG23 THR 10 HG23 THR 10 6.503 5.790 9.823 80 H LYS 11 HN LYS 11 5.259 4.889 6.448 81 HA LYS 11 HA LYS 11 8.093 4.984 6.567 82 HB2 LYS 11 HB2 LYS 11 7.695 2.527 6.233 83 HB3 LYS 11 HB1 LYS 11 6.859 2.908 4.737 84 HG2 LYS 11 HG2 LYS 11 8.911 3.849 3.816 85 HG3 LYS 11 HG1 LYS 11 9.754 3.493 5.326 86 HD2 LYS 11 HD2 LYS 11 9.277 1.103 5.005 87 HD3 LYS 11 HD1 LYS 11 8.484 1.479 3.476 88 HE2 LYS 11 HE2 LYS 11 10.736 0.710 3.050 89 HE3 LYS 11 HE1 LYS 11 10.603 2.416 2.638 90 HZ1 LYS 11 HZ1 LYS 11 11.650 2.975 4.735 91 HZ2 LYS 11 HZ2 LYS 11 12.641 1.943 3.836 92 HZ3 LYS 11 HZ3 LYS 11 11.765 1.338 5.146 93 H ASP 12 HN ASP 12 8.899 6.175 4.790 94 HA ASP 12 HA ASP 12 6.855 7.311 3.035 95 HB2 ASP 12 HB2 ASP 12 8.474 8.827 4.212 96 HB3 ASP 12 HB1 ASP 12 9.771 8.084 3.280 97 H TYR 13 HN TYR 13 6.476 5.628 1.643 98 HA TYR 13 HA TYR 13 8.784 4.335 0.368 99 HB2 TYR 13 HB2 TYR 13 6.997 3.044 1.704 100 HB3 TYR 13 HB1 TYR 13 5.940 3.340 0.332 101 HD1 TYR 13 HD1 TYR 13 9.145 1.754 1.312 102 HD2 TYR 13 HD2 TYR 13 6.017 1.938 -1.562 103 HE1 TYR 13 HE1 TYR 13 10.032 -0.267 0.227 104 HE2 TYR 13 HE2 TYR 13 6.896 -0.082 -2.656 105 HH TYR 13 HH TYR 13 9.069 -1.276 -2.842 106 H CYS 14 HN CYS 14 8.520 3.697 -1.908 107 HA CYS 14 HA CYS 14 8.144 4.097 -4.094 108 HB2 CYS 14 HB2 CYS 14 5.752 3.853 -3.522 109 HB3 CYS 14 HB1 CYS 14 5.667 5.574 -3.177 110 HG CYS 14 HG CYS 14 4.657 5.910 -5.528 111 H ASN 15 HN ASN 15 6.497 7.056 -3.971 112 HA ASN 15 HA ASN 15 7.076 9.140 -4.662 113 HB2 ASN 15 HB2 ASN 15 9.283 8.537 -2.707 114 HB3 ASN 15 HB1 ASN 15 9.167 10.092 -3.524 115 HD21 ASN 15 HD21 ASN 15 7.692 7.943 -1.229 116 HD22 ASN 15 HD22 ASN 15 6.647 9.115 -0.512 117 H ASN 16 HN ASN 16 7.542 7.558 -6.660 118 HA ASN 16 HA ASN 16 10.164 8.373 -7.684 119 HB2 ASN 16 HB2 ASN 16 10.231 6.174 -8.936 120 HB3 ASN 16 HB1 ASN 16 10.493 6.081 -7.202 121 HD21 ASN 16 HD21 ASN 16 7.335 6.463 -8.769 122 HD22 ASN 16 HD22 ASN 16 6.731 4.916 -8.278 123 H TYR 17 HN TYR 17 10.303 8.357 -10.067 124 HA TYR 17 HA TYR 17 8.351 9.974 -11.175 125 HB2 TYR 17 HB2 TYR 17 10.312 8.195 -12.633 126 HB3 TYR 17 HB1 TYR 17 9.442 9.550 -13.339 127 HD1 TYR 17 HD1 TYR 17 9.965 11.875 -12.600 128 HD2 TYR 17 HD2 TYR 17 12.279 8.536 -11.333 129 HE1 TYR 17 HE1 TYR 17 11.782 13.393 -11.932 130 HE2 TYR 17 HE2 TYR 17 14.100 10.045 -10.660 131 HH TYR 17 HH TYR 17 14.913 12.286 -11.192 132 H ASP 18 HN ASP 18 8.984 6.584 -12.092 133 HA ASP 18 HA ASP 18 6.140 6.093 -12.204 134 HB2 ASP 18 HB2 ASP 18 6.091 5.306 -14.499 135 HB3 ASP 18 HB1 ASP 18 6.602 6.986 -14.451 136 H LEU 19 HN LEU 19 6.035 4.420 -10.935 137 HA LEU 19 HA LEU 19 7.062 1.895 -11.762 138 HB2 LEU 19 HB2 LEU 19 9.057 2.862 -10.607 139 HB3 LEU 19 HB1 LEU 19 8.100 3.018 -9.149 140 HG LEU 19 HG LEU 19 7.831 0.551 -9.094 141 HD11 LEU 19 HD11 LEU 19 9.288 -0.823 -10.516 142 HD12 LEU 19 HD12 LEU 19 9.758 0.621 -11.410 143 HD13 LEU 19 HD13 LEU 19 8.087 0.063 -11.452 144 HD21 LEU 19 HD21 LEU 19 9.592 1.641 -7.807 145 HD22 LEU 19 HD22 LEU 19 10.685 1.522 -9.186 146 HD23 LEU 19 HD23 LEU 19 10.113 0.059 -8.384 147 H THR 20 HN THR 20 6.269 0.173 -10.213 148 HA THR 20 HA THR 20 3.739 1.081 -9.048 149 HB THR 20 HB THR 20 4.610 -1.726 -9.782 150 HG1 THR 20 HG1 THR 20 3.888 0.224 -11.362 151 HG21 THR 20 HG21 THR 20 2.948 -1.745 -8.011 152 HG22 THR 20 HG22 THR 20 2.211 -2.269 -9.524 153 HG23 THR 20 HG23 THR 20 1.926 -0.635 -8.924 154 H SER 21 HN SER 21 4.039 1.609 -6.989 155 HA SER 21 HA SER 21 5.099 -0.351 -5.132 156 HB2 SER 21 HB2 SER 21 6.322 2.402 -5.464 157 HB3 SER 21 HB1 SER 21 6.679 1.295 -4.137 158 HG SER 21 HG SER 21 6.969 -0.010 -6.449 159 H LEU 22 HN LEU 22 4.555 0.149 -2.940 160 HA LEU 22 HA LEU 22 2.060 1.416 -2.608 161 HB2 LEU 22 HB2 LEU 22 4.112 0.493 -0.598 162 HB3 LEU 22 HB1 LEU 22 2.556 1.149 -0.142 163 HG LEU 22 HG LEU 22 2.353 -1.191 0.022 164 HD11 LEU 22 HD11 LEU 22 0.670 -1.760 -1.634 165 HD12 LEU 22 HD12 LEU 22 1.167 -0.391 -2.623 166 HD13 LEU 22 HD13 LEU 22 0.448 -0.116 -1.038 167 HD21 LEU 22 HD21 LEU 22 2.928 -2.748 -1.760 168 HD22 LEU 22 HD22 LEU 22 4.335 -1.819 -1.246 169 HD23 LEU 22 HD23 LEU 22 3.511 -1.411 -2.750 170 H ASN 23 HN ASN 23 1.749 3.532 -2.706 171 HA ASN 23 HA ASN 23 3.860 5.408 -2.142 172 HB2 ASN 23 HB2 ASN 23 0.977 5.742 -2.962 173 HB3 ASN 23 HB1 ASN 23 2.001 7.116 -2.559 174 HD21 ASN 23 HD21 ASN 23 1.409 4.553 -4.837 175 HD22 ASN 23 HD22 ASN 23 2.401 5.185 -6.100 176 H VAL 24 HN VAL 24 4.005 4.446 0.080 177 HA VAL 24 HA VAL 24 1.948 5.228 1.965 178 HB VAL 24 HB VAL 24 4.673 4.142 2.653 179 HG11 VAL 24 HG11 VAL 24 3.513 3.241 4.610 180 HG12 VAL 24 HG12 VAL 24 2.002 3.953 4.041 181 HG13 VAL 24 HG13 VAL 24 3.347 4.995 4.508 182 HG21 VAL 24 HG21 VAL 24 2.224 2.580 1.837 183 HG22 VAL 24 HG22 VAL 24 3.658 1.884 2.594 184 HG23 VAL 24 HG23 VAL 24 3.778 2.635 1.003 185 H LYS 25 HN LYS 25 2.001 6.975 3.278 186 HA LYS 25 HA LYS 25 4.446 8.604 3.242 187 HB2 LYS 25 HB2 LYS 25 2.853 10.575 3.601 188 HB3 LYS 25 HB1 LYS 25 2.936 9.872 1.995 189 HG2 LYS 25 HG2 LYS 25 0.870 8.652 2.401 190 HG3 LYS 25 HG1 LYS 25 0.792 9.320 4.034 191 HD2 LYS 25 HD2 LYS 25 0.528 11.538 3.191 192 HD3 LYS 25 HD1 LYS 25 0.868 11.013 1.543 193 HE2 LYS 25 HE2 LYS 25 -1.511 10.143 3.181 194 HE3 LYS 25 HE1 LYS 25 -1.537 11.418 1.961 195 HZ1 LYS 25 HZ1 LYS 25 -1.400 8.518 1.625 196 HZ2 LYS 25 HZ2 LYS 25 -0.516 9.462 0.531 197 HZ3 LYS 25 HZ3 LYS 25 -2.181 9.696 0.677 198 H ALA 26 HN ALA 26 4.415 6.798 5.089 199 HA ALA 26 HA ALA 26 4.671 6.409 7.304 200 HB1 ALA 26 HB1 ALA 26 6.125 8.359 7.053 201 HB2 ALA 26 HB2 ALA 26 5.413 8.263 8.663 202 HB3 ALA 26 HB3 ALA 26 4.775 9.410 7.485 203 H GLY 27 HN GLY 27 2.651 5.470 7.737 204 HA2 GLY 27 HA2 GLY 27 1.037 5.317 9.444 205 HA3 GLY 27 HA1 GLY 27 1.083 7.067 9.613 206 H ASP 28 HN ASP 28 0.816 5.559 6.515 207 HA ASP 28 HA ASP 28 -1.819 6.784 6.203 208 HB2 ASP 28 HB2 ASP 28 0.192 7.152 4.603 209 HB3 ASP 28 HB1 ASP 28 -0.214 5.560 3.975 210 H ILE 29 HN ILE 29 -3.200 5.422 4.506 211 HA ILE 29 HA ILE 29 -3.564 2.865 5.909 212 HB ILE 29 HB ILE 29 -5.545 4.508 4.326 213 HG12 ILE 29 HG12 ILE 29 -5.034 5.607 6.401 214 HG13 ILE 29 HG11 ILE 29 -6.612 4.844 6.565 215 HG21 ILE 29 HG21 ILE 29 -5.969 1.984 5.919 216 HG22 ILE 29 HG22 ILE 29 -6.045 2.138 4.163 217 HG23 ILE 29 HG23 ILE 29 -7.238 2.956 5.173 218 HD11 ILE 29 HD11 ILE 29 -5.324 4.544 8.576 219 HD12 ILE 29 HD12 ILE 29 -4.006 3.818 7.658 220 HD13 ILE 29 HD13 ILE 29 -5.556 2.988 7.779 221 H ILE 30 HN ILE 30 -3.100 1.063 4.874 222 HA ILE 30 HA ILE 30 -3.194 1.077 1.925 223 HB ILE 30 HB ILE 30 -1.547 -0.796 3.611 224 HG12 ILE 30 HG12 ILE 30 -0.616 1.753 2.279 225 HG13 ILE 30 HG11 ILE 30 -0.878 1.571 4.009 226 HG21 ILE 30 HG21 ILE 30 -1.449 -0.028 0.697 227 HG22 ILE 30 HG22 ILE 30 -2.004 -1.563 1.360 228 HG23 ILE 30 HG23 ILE 30 -0.307 -1.104 1.501 229 HD11 ILE 30 HD11 ILE 30 1.135 0.089 2.340 230 HD12 ILE 30 HD12 ILE 30 0.846 -0.176 4.060 231 HD13 ILE 30 HD13 ILE 30 1.466 1.379 3.498 232 H THR 31 HN THR 31 -4.634 -0.253 1.030 233 HA THR 31 HA THR 31 -5.795 -2.381 2.693 234 HB THR 31 HB THR 31 -6.860 -1.281 0.082 235 HG1 THR 31 HG1 THR 31 -7.418 -0.577 2.785 236 HG21 THR 31 HG21 THR 31 -7.653 -3.530 0.658 237 HG22 THR 31 HG22 THR 31 -8.951 -2.345 0.787 238 HG23 THR 31 HG23 THR 31 -8.161 -2.946 2.244 239 H VAL 32 HN VAL 32 -4.702 -4.231 2.407 240 HA VAL 32 HA VAL 32 -3.464 -4.694 -0.213 241 HB VAL 32 HB VAL 32 -1.871 -6.148 0.886 242 HG11 VAL 32 HG11 VAL 32 -1.351 -3.774 0.808 243 HG12 VAL 32 HG12 VAL 32 -0.703 -4.509 2.276 244 HG13 VAL 32 HG13 VAL 32 -2.173 -3.533 2.352 245 HG21 VAL 32 HG21 VAL 32 -3.301 -5.509 3.462 246 HG22 VAL 32 HG22 VAL 32 -1.819 -6.449 3.300 247 HG23 VAL 32 HG23 VAL 32 -3.330 -7.063 2.629 248 H LEU 33 HN LEU 33 -3.597 -6.704 -1.216 249 HA LEU 33 HA LEU 33 -5.697 -8.419 -0.126 250 HB2 LEU 33 HB2 LEU 33 -6.305 -8.984 -2.519 251 HB3 LEU 33 HB1 LEU 33 -6.829 -7.445 -1.891 252 HG LEU 33 HG LEU 33 -6.153 -7.353 -4.247 253 HD11 LEU 33 HD11 LEU 33 -4.367 -5.737 -2.455 254 HD12 LEU 33 HD12 LEU 33 -6.020 -5.338 -2.919 255 HD13 LEU 33 HD13 LEU 33 -4.746 -5.381 -4.139 256 HD21 LEU 33 HD21 LEU 33 -4.405 -9.048 -4.217 257 HD22 LEU 33 HD22 LEU 33 -3.373 -7.966 -3.281 258 HD23 LEU 33 HD23 LEU 33 -3.846 -7.535 -4.926 259 H GLU 34 HN GLU 34 -5.535 -10.598 -0.380 260 HA GLU 34 HA GLU 34 -2.827 -11.533 -1.032 261 HB2 GLU 34 HB2 GLU 34 -3.530 -11.920 1.297 262 HB3 GLU 34 HB1 GLU 34 -4.944 -12.796 0.725 263 HG2 GLU 34 HG2 GLU 34 -3.455 -14.463 -0.310 264 HG3 GLU 34 HG1 GLU 34 -2.069 -13.608 0.364 265 H GLN 35 HN GLN 35 -2.653 -12.599 -2.890 266 HA GLN 35 HA GLN 35 -4.871 -14.274 -3.796 267 HB2 GLN 35 HB2 GLN 35 -3.523 -12.170 -5.497 268 HB3 GLN 35 HB1 GLN 35 -4.618 -13.398 -6.113 269 HG2 GLN 35 HG2 GLN 35 -6.396 -12.484 -4.661 270 HG3 GLN 35 HG1 GLN 35 -5.287 -11.203 -4.170 271 HE21 GLN 35 HE21 GLN 35 -7.239 -12.482 -6.725 272 HE22 GLN 35 HE22 GLN 35 -7.166 -11.096 -7.757 273 H HIS 36 HN HIS 36 -1.531 -13.234 -4.352 274 HA HIS 36 HA HIS 36 -0.950 -15.699 -5.773 275 HB2 HIS 36 HB2 HIS 36 0.749 -13.273 -5.169 276 HB3 HIS 36 HB1 HIS 36 1.327 -14.680 -6.049 277 HD2 HIS 36 HD2 HIS 36 -1.498 -11.966 -6.526 278 HE1 HIS 36 HE1 HIS 36 -0.082 -13.288 -10.285 279 HE2 HIS 36 HE2 HIS 36 -1.793 -11.846 -9.101 280 HA PRO 37 HA PRO 37 0.647 -17.479 -1.947 281 HB2 PRO 37 HB2 PRO 37 1.035 -19.960 -2.936 282 HB3 PRO 37 HB1 PRO 37 -0.568 -19.370 -2.485 283 HG2 PRO 37 HG2 PRO 37 0.690 -19.555 -5.193 284 HG3 PRO 37 HG1 PRO 37 -0.964 -19.959 -4.699 285 HD2 PRO 37 HD2 PRO 37 -0.299 -17.621 -5.930 286 HD3 PRO 37 HD1 PRO 37 -1.660 -17.774 -4.804 287 H ASP 38 HN ASP 38 2.055 -16.654 -4.808 288 HA ASP 38 HA ASP 38 4.578 -17.887 -4.740 289 HB2 ASP 38 HB2 ASP 38 3.786 -16.717 -6.712 290 HB3 ASP 38 HB1 ASP 38 3.732 -15.197 -5.829 291 H GLY 39 HN GLY 39 3.270 -15.097 -3.079 292 HA2 GLY 39 HA2 GLY 39 4.344 -14.815 -0.828 293 HA3 GLY 39 HA1 GLY 39 5.865 -14.775 -1.710 294 H ARG 40 HN ARG 40 4.326 -13.249 -3.879 295 HA ARG 40 HA ARG 40 4.623 -10.642 -2.576 296 HB2 ARG 40 HB2 ARG 40 4.861 -9.735 -4.881 297 HB3 ARG 40 HB1 ARG 40 6.112 -10.889 -4.441 298 HG2 ARG 40 HG2 ARG 40 4.928 -12.632 -5.705 299 HG3 ARG 40 HG1 ARG 40 3.713 -11.439 -6.175 300 HD2 ARG 40 HD2 ARG 40 6.650 -11.152 -6.761 301 HD3 ARG 40 HD1 ARG 40 5.504 -11.887 -7.878 302 HE ARG 40 HE ARG 40 4.320 -9.575 -7.552 303 HH11 ARG 40 HH11 ARG 40 7.757 -10.175 -7.810 304 HH12 ARG 40 HH12 ARG 40 8.095 -8.670 -8.604 305 HH21 ARG 40 HH21 ARG 40 4.757 -7.597 -8.609 306 HH22 ARG 40 HH22 ARG 40 6.385 -7.206 -9.065 307 H TRP 41 HN TRP 41 2.962 -9.361 -2.298 308 HA TRP 41 HA TRP 41 0.413 -10.060 -3.599 309 HB2 TRP 41 HB2 TRP 41 0.802 -8.723 -0.917 310 HB3 TRP 41 HB1 TRP 41 -0.731 -9.188 -1.636 311 HD1 TRP 41 HD1 TRP 41 0.666 -12.168 -2.493 312 HE1 TRP 41 HE1 TRP 41 0.709 -13.934 -0.624 313 HE3 TRP 41 HE3 TRP 41 0.024 -9.088 1.530 314 HZ2 TRP 41 HZ2 TRP 41 0.486 -14.002 2.197 315 HZ3 TRP 41 HZ3 TRP 41 -0.060 -10.077 3.773 316 HH2 TRP 41 HH2 TRP 41 0.167 -12.485 4.101 317 H LYS 42 HN LYS 42 -1.069 -8.179 -3.785 318 HA LYS 42 HA LYS 42 0.432 -5.718 -4.331 319 HB2 LYS 42 HB2 LYS 42 -2.224 -6.628 -5.456 320 HB3 LYS 42 HB1 LYS 42 -1.440 -5.098 -5.822 321 HG2 LYS 42 HG2 LYS 42 0.419 -6.280 -6.851 322 HG3 LYS 42 HG1 LYS 42 -0.336 -7.826 -6.455 323 HD2 LYS 42 HD2 LYS 42 -2.271 -7.219 -7.847 324 HD3 LYS 42 HD1 LYS 42 -1.475 -5.701 -8.269 325 HE2 LYS 42 HE2 LYS 42 -1.187 -7.367 -10.028 326 HE3 LYS 42 HE1 LYS 42 0.356 -6.937 -9.299 327 HZ1 LYS 42 HZ1 LYS 42 0.189 -9.314 -9.609 328 HZ2 LYS 42 HZ2 LYS 42 -1.234 -9.372 -8.696 329 HZ3 LYS 42 HZ3 LYS 42 0.229 -8.954 -7.958 330 H GLY 43 HN GLY 43 -0.518 -3.733 -3.693 331 HA2 GLY 43 HA2 GLY 43 -2.755 -3.923 -1.817 332 HA3 GLY 43 HA1 GLY 43 -1.243 -3.230 -1.249 333 H CYS 44 HN CYS 44 -3.921 -2.068 -1.572 334 HA CYS 44 HA CYS 44 -3.322 0.036 -3.529 335 HB2 CYS 44 HB2 CYS 44 -5.914 -0.580 -2.100 336 HB3 CYS 44 HB1 CYS 44 -5.687 0.620 -3.369 337 HG CYS 44 HG CYS 44 -4.691 -1.733 -5.016 338 H ILE 45 HN ILE 45 -3.304 2.165 -2.910 339 HA ILE 45 HA ILE 45 -2.939 2.614 -0.032 340 HB ILE 45 HB ILE 45 -2.105 4.334 -2.377 341 HG12 ILE 45 HG12 ILE 45 -0.833 2.215 -2.207 342 HG13 ILE 45 HG11 ILE 45 0.171 3.627 -1.901 343 HG21 ILE 45 HG21 ILE 45 -0.829 5.628 -0.741 344 HG22 ILE 45 HG22 ILE 45 -1.477 4.624 0.556 345 HG23 ILE 45 HG23 ILE 45 -2.556 5.656 -0.382 346 HD11 ILE 45 HD11 ILE 45 0.028 3.219 0.493 347 HD12 ILE 45 HD12 ILE 45 0.673 1.819 -0.362 348 HD13 ILE 45 HD13 ILE 45 -0.999 1.817 0.196 349 H HIS 46 HN HIS 46 -4.400 3.764 1.049 350 HA HIS 46 HA HIS 46 -6.434 5.205 -0.505 351 HB2 HIS 46 HB2 HIS 46 -7.313 3.544 1.077 352 HB3 HIS 46 HB1 HIS 46 -6.433 4.311 2.395 353 HD2 HIS 46 HD2 HIS 46 -7.680 6.408 3.593 354 HE1 HIS 46 HE1 HIS 46 -10.997 6.544 0.972 355 HE2 HIS 46 HE2 HIS 46 -10.084 7.298 3.214 356 H ASP 47 HN ASP 47 -5.782 7.168 -0.869 357 HA ASP 47 HA ASP 47 -3.799 8.441 0.733 358 HB2 ASP 47 HB2 ASP 47 -3.762 8.710 -1.660 359 HB3 ASP 47 HB1 ASP 47 -5.393 9.370 -1.653 360 H ASN 48 HN ASN 48 -4.477 9.011 2.705 361 HA ASN 48 HA ASN 48 -6.938 10.445 3.141 362 HB2 ASN 48 HB2 ASN 48 -4.600 9.886 4.980 363 HB3 ASN 48 HB1 ASN 48 -6.097 10.659 5.480 364 HD21 ASN 48 HD21 ASN 48 -4.579 7.684 4.516 365 HD22 ASN 48 HD22 ASN 48 -5.887 6.648 4.987 366 H ARG 49 HN ARG 49 -6.322 12.080 1.493 367 HA ARG 49 HA ARG 49 -5.457 14.490 2.703 368 HB2 ARG 49 HB2 ARG 49 -3.241 13.414 2.374 369 HB3 ARG 49 HB1 ARG 49 -3.573 13.306 0.653 370 HG2 ARG 49 HG2 ARG 49 -3.694 15.760 0.541 371 HG3 ARG 49 HG1 ARG 49 -3.303 15.839 2.259 372 HD2 ARG 49 HD2 ARG 49 -1.181 14.688 1.815 373 HD3 ARG 49 HD1 ARG 49 -1.570 14.650 0.097 374 HE ARG 49 HE ARG 49 -1.571 17.290 1.269 375 HH11 ARG 49 HH11 ARG 49 0.316 14.830 -0.347 376 HH12 ARG 49 HH12 ARG 49 1.547 15.933 -0.863 377 HH21 ARG 49 HH21 ARG 49 0.054 18.748 0.579 378 HH22 ARG 49 HH22 ARG 49 1.389 18.158 -0.362 379 H THR 50 HN THR 50 -5.256 13.000 -0.521 380 HA THR 50 HA THR 50 -6.973 15.146 -1.571 381 HB THR 50 HB THR 50 -5.371 13.135 -3.166 382 HG1 THR 50 HG1 THR 50 -3.661 14.228 -2.584 383 HG21 THR 50 HG21 THR 50 -5.554 14.825 -4.939 384 HG22 THR 50 HG22 THR 50 -6.515 15.842 -3.866 385 HG23 THR 50 HG23 THR 50 -7.141 14.283 -4.396 386 H GLY 51 HN GLY 51 -6.591 11.659 -1.312 387 HA2 GLY 51 HA2 GLY 51 -8.487 10.236 -0.982 388 HA3 GLY 51 HA1 GLY 51 -9.455 11.367 -1.914 389 H ASN 52 HN ASN 52 -6.296 10.292 -2.935 390 HA ASN 52 HA ASN 52 -7.533 9.069 -5.286 391 HB2 ASN 52 HB2 ASN 52 -4.663 9.875 -4.768 392 HB3 ASN 52 HB1 ASN 52 -5.269 9.199 -6.276 393 HD21 ASN 52 HD21 ASN 52 -7.781 10.655 -6.157 394 HD22 ASN 52 HD22 ASN 52 -7.404 12.302 -6.535 395 H ASP 53 HN ASP 53 -6.797 7.029 -6.075 396 HA ASP 53 HA ASP 53 -5.847 5.258 -3.925 397 HB2 ASP 53 HB2 ASP 53 -7.424 4.631 -6.430 398 HB3 ASP 53 HB1 ASP 53 -6.790 3.411 -5.336 399 H ARG 54 HN ARG 54 -3.816 4.615 -4.070 400 HA ARG 54 HA ARG 54 -2.607 4.396 -6.751 401 HB2 ARG 54 HB2 ARG 54 -1.291 4.906 -4.079 402 HB3 ARG 54 HB1 ARG 54 -0.395 4.501 -5.532 403 HG2 ARG 54 HG2 ARG 54 -0.233 6.791 -5.499 404 HG3 ARG 54 HG1 ARG 54 -1.626 6.549 -6.551 405 HD2 ARG 54 HD2 ARG 54 -3.102 6.910 -4.582 406 HD3 ARG 54 HD1 ARG 54 -1.668 7.287 -3.627 407 HE ARG 54 HE ARG 54 -2.368 8.849 -6.027 408 HH11 ARG 54 HH11 ARG 54 -1.540 8.708 -2.623 409 HH12 ARG 54 HH12 ARG 54 -1.553 10.428 -2.422 410 HH21 ARG 54 HH21 ARG 54 -2.358 11.105 -5.769 411 HH22 ARG 54 HH22 ARG 54 -1.994 11.798 -4.216 412 H VAL 55 HN VAL 55 -1.091 2.563 -7.047 413 HA VAL 55 HA VAL 55 -1.833 0.289 -5.329 414 HB VAL 55 HB VAL 55 -3.100 0.154 -7.416 415 HG11 VAL 55 HG11 VAL 55 -0.410 0.164 -8.768 416 HG12 VAL 55 HG12 VAL 55 -1.661 1.398 -8.894 417 HG13 VAL 55 HG13 VAL 55 -1.938 -0.210 -9.561 418 HG21 VAL 55 HG21 VAL 55 -2.448 -2.102 -8.106 419 HG22 VAL 55 HG22 VAL 55 -2.416 -1.927 -6.351 420 HG23 VAL 55 HG23 VAL 55 -0.909 -1.915 -7.266 421 H GLY 56 HN GLY 56 -0.248 -1.177 -4.846 422 HA2 GLY 56 HA2 GLY 56 2.318 -1.026 -6.239 423 HA3 GLY 56 HA1 GLY 56 2.332 -0.628 -4.525 424 H TYR 57 HN TYR 57 3.837 -2.764 -5.460 425 HA TYR 57 HA TYR 57 2.314 -5.024 -4.352 426 HB2 TYR 57 HB2 TYR 57 3.717 -6.546 -5.669 427 HB3 TYR 57 HB1 TYR 57 2.844 -5.428 -6.708 428 HD1 TYR 57 HD1 TYR 57 6.145 -6.339 -5.374 429 HD2 TYR 57 HD2 TYR 57 4.017 -3.806 -8.046 430 HE1 TYR 57 HE1 TYR 57 8.261 -5.704 -6.447 431 HE2 TYR 57 HE2 TYR 57 6.128 -3.163 -9.124 432 HH TYR 57 HH TYR 57 9.029 -4.823 -8.615 433 H PHE 58 HN PHE 58 3.461 -6.484 -2.999 434 HA PHE 58 HA PHE 58 6.087 -5.695 -2.037 435 HB2 PHE 58 HB2 PHE 58 5.371 -5.419 0.290 436 HB3 PHE 58 HB1 PHE 58 4.562 -4.247 -0.742 437 HD1 PHE 58 HD1 PHE 58 2.182 -4.899 -1.565 438 HD2 PHE 58 HD2 PHE 58 4.141 -6.705 1.754 439 HE1 PHE 58 HE1 PHE 58 0.009 -5.646 -0.693 440 HE2 PHE 58 HE2 PHE 58 1.972 -7.452 2.628 441 HZ PHE 58 HZ PHE 58 -0.094 -6.927 1.407 442 HA PRO 59 HA PRO 59 6.294 -10.066 -1.484 443 HB2 PRO 59 HB2 PRO 59 8.462 -10.273 0.104 444 HB3 PRO 59 HB1 PRO 59 8.573 -9.763 -1.585 445 HG2 PRO 59 HG2 PRO 59 8.626 -8.113 0.904 446 HG3 PRO 59 HG1 PRO 59 9.593 -7.948 -0.572 447 HD2 PRO 59 HD2 PRO 59 7.389 -6.419 -0.005 448 HD3 PRO 59 HD1 PRO 59 7.969 -6.754 -1.645 449 H SER 60 HN SER 60 4.225 -9.328 -0.039 450 HA SER 60 HA SER 60 2.844 -9.920 1.622 451 HB2 SER 60 HB2 SER 60 3.235 -12.024 2.822 452 HB3 SER 60 HB1 SER 60 3.534 -12.190 1.094 453 HG SER 60 HG SER 60 5.838 -11.531 2.115 454 H SER 61 HN SER 61 2.302 -9.114 3.507 455 HA SER 61 HA SER 61 2.383 -8.101 5.525 456 HB2 SER 61 HB2 SER 61 3.691 -10.086 6.241 457 HB3 SER 61 HB1 SER 61 5.171 -9.253 5.774 458 HG SER 61 HG SER 61 3.995 -9.152 8.086 459 H LEU 62 HN LEU 62 2.698 -5.989 6.025 460 HA LEU 62 HA LEU 62 5.062 -4.620 5.046 461 HB2 LEU 62 HB2 LEU 62 3.545 -4.586 3.132 462 HB3 LEU 62 HB1 LEU 62 2.286 -3.881 4.127 463 HG LEU 62 HG LEU 62 3.623 -1.845 4.401 464 HD11 LEU 62 HD11 LEU 62 5.654 -1.522 3.062 465 HD12 LEU 62 HD12 LEU 62 5.582 -3.211 2.560 466 HD13 LEU 62 HD13 LEU 62 5.850 -2.805 4.256 467 HD21 LEU 62 HD21 LEU 62 3.304 -2.694 1.527 468 HD22 LEU 62 HD22 LEU 62 3.436 -1.033 2.110 469 HD23 LEU 62 HD23 LEU 62 2.039 -2.016 2.552 470 H GLY 63 HN GLY 63 1.792 -3.861 6.237 471 HA2 GLY 63 HA2 GLY 63 3.073 -2.122 8.249 472 HA3 GLY 63 HA1 GLY 63 1.560 -1.717 7.450 473 H GLU 64 HN GLU 64 1.029 -1.478 9.803 474 HA GLU 64 HA GLU 64 0.658 -3.807 11.390 475 HB2 GLU 64 HB2 GLU 64 -0.580 -1.057 11.597 476 HB3 GLU 64 HB1 GLU 64 -0.717 -2.313 12.821 477 HG2 GLU 64 HG2 GLU 64 1.691 -2.281 13.144 478 HG3 GLU 64 HG1 GLU 64 1.853 -1.049 11.895 479 H ALA 65 HN ALA 65 -0.662 -5.364 10.775 480 HA ALA 65 HA ALA 65 -2.933 -4.946 9.103 481 HB1 ALA 65 HB1 ALA 65 -1.636 -7.025 9.044 482 HB2 ALA 65 HB2 ALA 65 -3.340 -7.326 9.384 483 HB3 ALA 65 HB3 ALA 65 -2.156 -7.389 10.691 484 H ILE 66 HN ILE 66 -4.418 -3.646 10.013 485 HA ILE 66 HA ILE 66 -5.336 -4.201 12.726 486 HB ILE 66 HB ILE 66 -6.609 -2.104 12.536 487 HG12 ILE 66 HG12 ILE 66 -5.284 -1.827 9.828 488 HG13 ILE 66 HG11 ILE 66 -6.987 -2.203 10.075 489 HG21 ILE 66 HG21 ILE 66 -4.363 -2.038 13.424 490 HG22 ILE 66 HG22 ILE 66 -4.659 -0.589 12.463 491 HG23 ILE 66 HG23 ILE 66 -3.693 -1.906 11.800 492 HD11 ILE 66 HD11 ILE 66 -5.592 0.319 10.938 493 HD12 ILE 66 HD12 ILE 66 -7.298 -0.055 11.184 494 HD13 ILE 66 HD13 ILE 66 -6.665 0.142 9.549 495 H VAL 67 HN VAL 67 -6.094 -5.136 9.651 496 HA VAL 67 HA VAL 67 -7.786 -6.331 8.738 497 HB VAL 67 HB VAL 67 -8.843 -6.597 11.560 498 HG11 VAL 67 HG11 VAL 67 -9.842 -8.676 10.751 499 HG12 VAL 67 HG12 VAL 67 -9.220 -8.351 9.133 500 HG13 VAL 67 HG13 VAL 67 -10.436 -7.287 9.839 501 HG21 VAL 67 HG21 VAL 67 -6.850 -8.321 10.091 502 HG22 VAL 67 HG22 VAL 67 -7.556 -8.682 11.668 503 HG23 VAL 67 HG23 VAL 67 -6.510 -7.276 11.471 Start of MODEL 24 1 H1 GLY 1 HT1 GLY 1 -7.034 -9.388 10.744 2 H2 GLY 1 HT2 GLY 1 -6.061 -10.757 10.534 3 H3 GLY 1 HT3 GLY 1 -7.624 -10.728 9.891 4 HA2 GLY 1 HA1 GLY 1 -6.990 -8.931 8.395 5 HA3 GLY 1 HA2 GLY 1 -5.359 -9.010 9.048 6 H SER 2 HN SER 2 -7.747 -10.609 7.069 7 HA SER 2 HA SER 2 -5.649 -11.982 5.631 8 HB2 SER 2 HB2 SER 2 -6.166 -13.573 7.441 9 HB3 SER 2 HB1 SER 2 -7.871 -13.527 6.997 10 HG SER 2 HG SER 2 -5.929 -14.215 5.070 11 H HIS 3 HN HIS 3 -6.196 -12.379 3.534 12 HA HIS 3 HA HIS 3 -7.240 -12.013 1.555 13 HB2 HIS 3 HB2 HIS 3 -9.585 -13.030 3.164 14 HB3 HIS 3 HB1 HIS 3 -9.605 -12.827 1.414 15 HD2 HIS 3 HD2 HIS 3 -7.132 -14.294 0.331 16 HE1 HIS 3 HE1 HIS 3 -7.983 -17.423 3.043 17 HE2 HIS 3 HE2 HIS 3 -6.533 -16.696 1.095 18 H MET 4 HN MET 4 -6.969 -9.830 1.377 19 HA MET 4 HA MET 4 -7.524 -7.664 1.077 20 HB2 MET 4 HB2 MET 4 -10.350 -8.694 1.348 21 HB3 MET 4 HB1 MET 4 -9.938 -7.047 0.890 22 HG2 MET 4 HG2 MET 4 -8.738 -7.920 -1.073 23 HG3 MET 4 HG1 MET 4 -9.233 -9.550 -0.627 24 HE1 MET 4 HE1 MET 4 -11.414 -8.811 -3.792 25 HE2 MET 4 HE2 MET 4 -10.265 -9.917 -3.041 26 HE3 MET 4 HE3 MET 4 -9.754 -8.294 -3.499 27 H LEU 5 HN LEU 5 -6.556 -6.823 2.799 28 HA LEU 5 HA LEU 5 -8.182 -6.349 5.190 29 HB2 LEU 5 HB2 LEU 5 -6.128 -6.779 6.577 30 HB3 LEU 5 HB1 LEU 5 -6.856 -8.200 5.855 31 HG LEU 5 HG LEU 5 -4.577 -6.876 4.440 32 HD11 LEU 5 HD11 LEU 5 -4.311 -8.731 6.801 33 HD12 LEU 5 HD12 LEU 5 -3.781 -7.049 6.720 34 HD13 LEU 5 HD13 LEU 5 -3.003 -8.267 5.711 35 HD21 LEU 5 HD21 LEU 5 -5.748 -8.710 3.345 36 HD22 LEU 5 HD22 LEU 5 -5.476 -9.741 4.748 37 HD23 LEU 5 HD23 LEU 5 -4.109 -9.195 3.778 38 H GLN 6 HN GLN 6 -7.402 -4.584 6.497 39 HA GLN 6 HA GLN 6 -6.074 -2.544 4.866 40 HB2 GLN 6 HB2 GLN 6 -8.371 -2.057 5.687 41 HB3 GLN 6 HB1 GLN 6 -7.789 -2.218 7.339 42 HG2 GLN 6 HG2 GLN 6 -6.269 -0.332 6.970 43 HG3 GLN 6 HG1 GLN 6 -6.897 -0.161 5.331 44 HE21 GLN 6 HE21 GLN 6 -6.925 1.732 7.550 45 HE22 GLN 6 HE22 GLN 6 -8.583 2.138 7.811 46 H VAL 7 HN VAL 7 -4.071 -2.042 5.350 47 HA VAL 7 HA VAL 7 -3.074 -2.619 8.061 48 HB VAL 7 HB VAL 7 -0.903 -3.197 7.119 49 HG11 VAL 7 HG11 VAL 7 -1.499 -5.304 5.984 50 HG12 VAL 7 HG12 VAL 7 -3.163 -4.737 5.855 51 HG13 VAL 7 HG13 VAL 7 -2.447 -5.019 7.440 52 HG21 VAL 7 HG21 VAL 7 -0.632 -3.501 4.679 53 HG22 VAL 7 HG22 VAL 7 -0.873 -1.818 5.147 54 HG23 VAL 7 HG23 VAL 7 -2.203 -2.737 4.439 55 H ARG 8 HN ARG 8 -1.456 -1.237 8.866 56 HA ARG 8 HA ARG 8 -1.063 1.258 7.349 57 HB2 ARG 8 HB2 ARG 8 -1.248 0.913 10.349 58 HB3 ARG 8 HB1 ARG 8 -0.825 2.411 9.533 59 HG2 ARG 8 HG2 ARG 8 -3.042 2.357 8.412 60 HG3 ARG 8 HG1 ARG 8 -3.455 0.952 9.401 61 HD2 ARG 8 HD2 ARG 8 -4.344 2.966 10.412 62 HD3 ARG 8 HD1 ARG 8 -3.069 2.292 11.425 63 HE ARG 8 HE ARG 8 -2.541 4.520 9.570 64 HH11 ARG 8 HH11 ARG 8 -2.490 3.173 12.805 65 HH12 ARG 8 HH12 ARG 8 -1.535 4.463 13.458 66 HH21 ARG 8 HH21 ARG 8 -1.284 6.221 10.443 67 HH22 ARG 8 HH22 ARG 8 -0.849 6.184 12.123 68 H ALA 9 HN ALA 9 0.983 1.582 6.778 69 HA ALA 9 HA ALA 9 3.069 0.090 8.227 70 HB1 ALA 9 HB1 ALA 9 2.759 -0.642 5.903 71 HB2 ALA 9 HB2 ALA 9 4.351 0.071 6.160 72 HB3 ALA 9 HB3 ALA 9 3.090 1.000 5.351 73 H THR 10 HN THR 10 4.914 1.128 8.861 74 HA THR 10 HA THR 10 4.901 4.043 8.542 75 HB THR 10 HB THR 10 6.712 3.878 10.392 76 HG1 THR 10 HG1 THR 10 5.431 1.336 10.665 77 HG21 THR 10 HG21 THR 10 5.001 3.844 12.145 78 HG22 THR 10 HG22 THR 10 3.844 3.158 11.004 79 HG23 THR 10 HG23 THR 10 4.468 4.788 10.755 80 H LYS 11 HN LYS 11 5.888 4.440 6.692 81 HA LYS 11 HA LYS 11 8.697 4.114 6.441 82 HB2 LYS 11 HB2 LYS 11 7.888 1.845 5.748 83 HB3 LYS 11 HB1 LYS 11 6.948 2.608 4.473 84 HG2 LYS 11 HG2 LYS 11 9.052 3.500 3.524 85 HG3 LYS 11 HG1 LYS 11 9.944 2.591 4.743 86 HD2 LYS 11 HD2 LYS 11 8.110 1.427 2.653 87 HD3 LYS 11 HD1 LYS 11 9.873 1.399 2.610 88 HE2 LYS 11 HE2 LYS 11 9.813 0.127 4.768 89 HE3 LYS 11 HE1 LYS 11 8.064 0.023 4.590 90 HZ1 LYS 11 HZ1 LYS 11 8.383 -1.159 2.505 91 HZ2 LYS 11 HZ2 LYS 11 9.162 -1.966 3.770 92 HZ3 LYS 11 HZ3 LYS 11 10.061 -1.050 2.672 93 H ASP 12 HN ASP 12 9.487 5.575 4.889 94 HA ASP 12 HA ASP 12 7.505 7.313 3.654 95 HB2 ASP 12 HB2 ASP 12 10.519 7.459 3.821 96 HB3 ASP 12 HB1 ASP 12 9.563 8.580 2.858 97 H TYR 13 HN TYR 13 6.793 5.407 2.410 98 HA TYR 13 HA TYR 13 8.566 4.384 0.371 99 HB2 TYR 13 HB2 TYR 13 6.706 3.140 1.735 100 HB3 TYR 13 HB1 TYR 13 5.627 3.811 0.523 101 HD1 TYR 13 HD1 TYR 13 6.745 0.836 1.298 102 HD2 TYR 13 HD2 TYR 13 7.255 3.581 -1.910 103 HE1 TYR 13 HE1 TYR 13 7.291 -1.032 -0.206 104 HE2 TYR 13 HE2 TYR 13 7.798 1.721 -3.423 105 HH TYR 13 HH TYR 13 8.619 -0.556 -3.321 106 H CYS 14 HN CYS 14 8.866 6.521 -0.607 107 HA CYS 14 HA CYS 14 6.774 7.059 -2.591 108 HB2 CYS 14 HB2 CYS 14 6.644 8.667 -0.626 109 HB3 CYS 14 HB1 CYS 14 8.223 9.264 -1.119 110 HG CYS 14 HG CYS 14 6.376 9.336 -3.778 111 H ASN 15 HN ASN 15 9.540 5.808 -2.408 112 HA ASN 15 HA ASN 15 11.119 7.585 -4.083 113 HB2 ASN 15 HB2 ASN 15 11.738 4.842 -2.967 114 HB3 ASN 15 HB1 ASN 15 12.855 5.813 -3.917 115 HD21 ASN 15 HD21 ASN 15 13.021 4.822 -1.158 116 HD22 ASN 15 HD22 ASN 15 13.280 6.227 -0.181 117 H ASN 16 HN ASN 16 9.433 7.475 -5.762 118 HA ASN 16 HA ASN 16 10.215 5.606 -7.791 119 HB2 ASN 16 HB2 ASN 16 7.914 4.750 -8.221 120 HB3 ASN 16 HB1 ASN 16 8.591 4.182 -6.699 121 HD21 ASN 16 HD21 ASN 16 7.710 4.904 -4.769 122 HD22 ASN 16 HD22 ASN 16 6.179 5.704 -4.689 123 H TYR 17 HN TYR 17 10.142 6.568 -9.681 124 HA TYR 17 HA TYR 17 8.970 9.214 -9.872 125 HB2 TYR 17 HB2 TYR 17 10.605 7.621 -11.863 126 HB3 TYR 17 HB1 TYR 17 10.135 9.304 -12.049 127 HD1 TYR 17 HD1 TYR 17 11.437 11.036 -11.099 128 HD2 TYR 17 HD2 TYR 17 12.141 6.998 -9.957 129 HE1 TYR 17 HE1 TYR 17 13.480 11.729 -9.922 130 HE2 TYR 17 HE2 TYR 17 14.185 7.685 -8.782 131 HH TYR 17 HH TYR 17 15.809 9.504 -8.825 132 H ASP 18 HN ASP 18 8.817 6.127 -11.563 133 HA ASP 18 HA ASP 18 5.983 6.490 -12.026 134 HB2 ASP 18 HB2 ASP 18 7.040 7.500 -14.027 135 HB3 ASP 18 HB1 ASP 18 7.899 5.993 -14.317 136 H LEU 19 HN LEU 19 5.359 4.704 -10.981 137 HA LEU 19 HA LEU 19 6.112 2.090 -11.840 138 HB2 LEU 19 HB2 LEU 19 8.141 2.719 -10.572 139 HB3 LEU 19 HB1 LEU 19 7.153 3.060 -9.169 140 HG LEU 19 HG LEU 19 6.503 0.657 -9.094 141 HD11 LEU 19 HD11 LEU 19 6.861 0.084 -11.422 142 HD12 LEU 19 HD12 LEU 19 7.835 -0.950 -10.377 143 HD13 LEU 19 HD13 LEU 19 8.589 0.384 -11.250 144 HD21 LEU 19 HD21 LEU 19 8.637 -0.129 -8.206 145 HD22 LEU 19 HD22 LEU 19 8.298 1.523 -7.691 146 HD23 LEU 19 HD23 LEU 19 9.461 1.224 -8.983 147 H THR 20 HN THR 20 5.018 0.421 -10.476 148 HA THR 20 HA THR 20 2.679 1.543 -9.119 149 HB THR 20 HB THR 20 1.842 -0.849 -9.203 150 HG1 THR 20 HG1 THR 20 3.966 -1.775 -9.562 151 HG21 THR 20 HG21 THR 20 1.243 -0.756 -11.586 152 HG22 THR 20 HG22 THR 20 2.464 0.492 -11.838 153 HG23 THR 20 HG23 THR 20 1.069 0.819 -10.808 154 H SER 21 HN SER 21 3.198 1.947 -7.073 155 HA SER 21 HA SER 21 4.216 -0.202 -5.409 156 HB2 SER 21 HB2 SER 21 5.962 1.390 -4.457 157 HB3 SER 21 HB1 SER 21 6.295 0.749 -6.067 158 HG SER 21 HG SER 21 4.859 3.032 -6.220 159 H LEU 22 HN LEU 22 4.136 0.386 -3.105 160 HA LEU 22 HA LEU 22 1.656 1.696 -2.539 161 HB2 LEU 22 HB2 LEU 22 3.743 0.447 -0.754 162 HB3 LEU 22 HB1 LEU 22 2.263 1.151 -0.149 163 HG LEU 22 HG LEU 22 1.897 -1.172 -0.203 164 HD11 LEU 22 HD11 LEU 22 0.053 0.179 -1.092 165 HD12 LEU 22 HD12 LEU 22 0.088 -1.450 -1.767 166 HD13 LEU 22 HD13 LEU 22 0.666 -0.086 -2.725 167 HD21 LEU 22 HD21 LEU 22 2.248 -2.534 -2.234 168 HD22 LEU 22 HD22 LEU 22 3.741 -1.873 -1.572 169 HD23 LEU 22 HD23 LEU 22 3.009 -1.144 -3.001 170 H ASN 23 HN ASN 23 1.675 3.875 -2.710 171 HA ASN 23 HA ASN 23 3.930 5.441 -1.882 172 HB2 ASN 23 HB2 ASN 23 2.399 6.141 -3.723 173 HB3 ASN 23 HB1 ASN 23 1.125 6.378 -2.530 174 HD21 ASN 23 HD21 ASN 23 4.473 7.128 -1.874 175 HD22 ASN 23 HD22 ASN 23 4.281 8.845 -1.848 176 H VAL 24 HN VAL 24 4.083 4.581 0.254 177 HA VAL 24 HA VAL 24 1.997 5.329 2.156 178 HB VAL 24 HB VAL 24 4.597 3.913 2.748 179 HG11 VAL 24 HG11 VAL 24 1.969 3.979 4.227 180 HG12 VAL 24 HG12 VAL 24 3.436 4.846 4.679 181 HG13 VAL 24 HG13 VAL 24 3.410 3.083 4.711 182 HG21 VAL 24 HG21 VAL 24 3.434 2.635 1.051 183 HG22 VAL 24 HG22 VAL 24 1.944 2.692 1.994 184 HG23 VAL 24 HG23 VAL 24 3.342 1.804 2.604 185 H LYS 25 HN LYS 25 2.125 7.138 3.326 186 HA LYS 25 HA LYS 25 4.722 8.493 3.463 187 HB2 LYS 25 HB2 LYS 25 3.356 10.555 3.951 188 HB3 LYS 25 HB1 LYS 25 3.200 9.894 2.330 189 HG2 LYS 25 HG2 LYS 25 1.076 8.831 3.000 190 HG3 LYS 25 HG1 LYS 25 1.228 9.588 4.587 191 HD2 LYS 25 HD2 LYS 25 1.277 11.801 3.482 192 HD3 LYS 25 HD1 LYS 25 1.018 11.006 1.931 193 HE2 LYS 25 HE2 LYS 25 -1.066 11.906 2.835 194 HE3 LYS 25 HE1 LYS 25 -1.124 10.148 2.713 195 HZ1 LYS 25 HZ1 LYS 25 -2.002 11.165 4.826 196 HZ2 LYS 25 HZ2 LYS 25 -0.396 11.525 5.227 197 HZ3 LYS 25 HZ3 LYS 25 -0.875 9.914 5.008 198 H ALA 26 HN ALA 26 4.799 6.649 5.151 199 HA ALA 26 HA ALA 26 5.161 6.075 7.304 200 HB1 ALA 26 HB1 ALA 26 5.148 9.047 7.754 201 HB2 ALA 26 HB2 ALA 26 6.524 8.091 7.208 202 HB3 ALA 26 HB3 ALA 26 5.853 7.831 8.817 203 H GLY 27 HN GLY 27 3.251 4.995 7.735 204 HA2 GLY 27 HA2 GLY 27 1.618 4.530 9.312 205 HA3 GLY 27 HA1 GLY 27 1.726 6.189 9.880 206 H ASP 28 HN ASP 28 0.989 4.799 6.700 207 HA ASP 28 HA ASP 28 -1.438 6.456 6.695 208 HB2 ASP 28 HB2 ASP 28 0.502 6.842 5.001 209 HB3 ASP 28 HB1 ASP 28 -0.157 5.424 4.188 210 H ILE 29 HN ILE 29 -2.810 5.366 4.593 211 HA ILE 29 HA ILE 29 -3.668 2.874 5.903 212 HB ILE 29 HB ILE 29 -5.265 4.780 4.190 213 HG12 ILE 29 HG12 ILE 29 -4.702 5.780 6.342 214 HG13 ILE 29 HG11 ILE 29 -6.415 5.384 6.284 215 HG21 ILE 29 HG21 ILE 29 -6.073 2.495 4.007 216 HG22 ILE 29 HG22 ILE 29 -7.217 3.491 4.906 217 HG23 ILE 29 HG23 ILE 29 -6.160 2.369 5.765 218 HD11 ILE 29 HD11 ILE 29 -4.266 3.823 7.696 219 HD12 ILE 29 HD12 ILE 29 -5.966 3.359 7.599 220 HD13 ILE 29 HD13 ILE 29 -5.501 4.837 8.443 221 H ILE 30 HN ILE 30 -3.115 1.097 4.855 222 HA ILE 30 HA ILE 30 -3.139 1.136 1.904 223 HB ILE 30 HB ILE 30 -1.673 -0.878 3.593 224 HG12 ILE 30 HG12 ILE 30 -0.513 1.654 2.417 225 HG13 ILE 30 HG11 ILE 30 -0.861 1.417 4.127 226 HG21 ILE 30 HG21 ILE 30 -0.370 -1.203 1.538 227 HG22 ILE 30 HG22 ILE 30 -1.364 0.008 0.730 228 HG23 ILE 30 HG23 ILE 30 -2.090 -1.498 1.282 229 HD11 ILE 30 HD11 ILE 30 1.108 -0.143 2.477 230 HD12 ILE 30 HD12 ILE 30 0.735 -0.444 4.175 231 HD13 ILE 30 HD13 ILE 30 1.485 1.079 3.692 232 H THR 31 HN THR 31 -4.534 -0.205 0.910 233 HA THR 31 HA THR 31 -5.877 -2.257 2.538 234 HB THR 31 HB THR 31 -6.761 -1.112 -0.124 235 HG1 THR 31 HG1 THR 31 -6.858 0.422 1.611 236 HG21 THR 31 HG21 THR 31 -8.212 -2.847 1.880 237 HG22 THR 31 HG22 THR 31 -7.599 -3.375 0.312 238 HG23 THR 31 HG23 THR 31 -8.902 -2.188 0.395 239 H VAL 32 HN VAL 32 -4.779 -4.113 2.338 240 HA VAL 32 HA VAL 32 -3.574 -4.725 -0.278 241 HB VAL 32 HB VAL 32 -2.008 -6.179 0.869 242 HG11 VAL 32 HG11 VAL 32 -0.757 -4.526 2.155 243 HG12 VAL 32 HG12 VAL 32 -2.189 -3.500 2.236 244 HG13 VAL 32 HG13 VAL 32 -1.420 -3.819 0.681 245 HG21 VAL 32 HG21 VAL 32 -3.411 -5.389 3.417 246 HG22 VAL 32 HG22 VAL 32 -1.939 -6.352 3.305 247 HG23 VAL 32 HG23 VAL 32 -3.454 -6.980 2.659 248 H LEU 33 HN LEU 33 -3.557 -6.988 -0.936 249 HA LEU 33 HA LEU 33 -5.791 -8.475 0.236 250 HB2 LEU 33 HB2 LEU 33 -6.120 -9.521 -2.061 251 HB3 LEU 33 HB1 LEU 33 -6.707 -7.897 -1.816 252 HG LEU 33 HG LEU 33 -5.729 -8.282 -4.049 253 HD11 LEU 33 HD11 LEU 33 -5.813 -6.038 -3.182 254 HD12 LEU 33 HD12 LEU 33 -4.355 -6.273 -4.143 255 HD13 LEU 33 HD13 LEU 33 -4.257 -6.258 -2.384 256 HD21 LEU 33 HD21 LEU 33 -3.978 -9.856 -3.472 257 HD22 LEU 33 HD22 LEU 33 -3.116 -8.596 -2.587 258 HD23 LEU 33 HD23 LEU 33 -3.321 -8.466 -4.333 259 H GLU 34 HN GLU 34 -5.663 -10.793 -0.003 260 HA GLU 34 HA GLU 34 -2.885 -11.649 0.359 261 HB2 GLU 34 HB2 GLU 34 -4.461 -11.894 2.279 262 HB3 GLU 34 HB1 GLU 34 -5.432 -12.982 1.297 263 HG2 GLU 34 HG2 GLU 34 -3.507 -14.503 1.127 264 HG3 GLU 34 HG1 GLU 34 -2.594 -13.426 2.182 265 H GLN 35 HN GLN 35 -2.072 -12.644 -1.335 266 HA GLN 35 HA GLN 35 -3.668 -14.582 -2.802 267 HB2 GLN 35 HB2 GLN 35 -4.027 -12.448 -3.976 268 HB3 GLN 35 HB1 GLN 35 -2.290 -12.244 -4.138 269 HG2 GLN 35 HG2 GLN 35 -2.182 -14.241 -5.532 270 HG3 GLN 35 HG1 GLN 35 -3.925 -14.449 -5.367 271 HE21 GLN 35 HE21 GLN 35 -5.307 -13.043 -6.427 272 HE22 GLN 35 HE22 GLN 35 -4.769 -12.010 -7.709 273 H HIS 36 HN HIS 36 -0.562 -12.849 -3.001 274 HA HIS 36 HA HIS 36 1.590 -13.563 -3.192 275 HB2 HIS 36 HB2 HIS 36 0.852 -14.500 -0.929 276 HB3 HIS 36 HB1 HIS 36 0.680 -16.049 -1.738 277 HD2 HIS 36 HD2 HIS 36 3.480 -13.565 -0.637 278 HE1 HIS 36 HE1 HIS 36 5.190 -17.327 -1.537 279 HE2 HIS 36 HE2 HIS 36 5.552 -15.102 -0.378 280 HA PRO 37 HA PRO 37 0.398 -16.528 -6.604 281 HB2 PRO 37 HB2 PRO 37 0.921 -14.953 -8.726 282 HB3 PRO 37 HB1 PRO 37 -0.624 -14.895 -7.869 283 HG2 PRO 37 HG2 PRO 37 1.721 -13.053 -7.678 284 HG3 PRO 37 HG1 PRO 37 -0.009 -12.669 -7.691 285 HD2 PRO 37 HD2 PRO 37 1.528 -12.783 -5.418 286 HD3 PRO 37 HD1 PRO 37 -0.227 -13.044 -5.444 287 H ASP 38 HN ASP 38 3.103 -14.240 -6.529 288 HA ASP 38 HA ASP 38 4.904 -16.414 -7.307 289 HB2 ASP 38 HB2 ASP 38 4.737 -13.680 -8.567 290 HB3 ASP 38 HB1 ASP 38 6.176 -14.683 -8.686 291 H GLY 39 HN GLY 39 4.567 -15.731 -4.744 292 HA2 GLY 39 HA2 GLY 39 5.797 -15.218 -2.875 293 HA3 GLY 39 HA1 GLY 39 7.179 -14.995 -3.939 294 H ARG 40 HN ARG 40 4.114 -13.252 -3.958 295 HA ARG 40 HA ARG 40 5.248 -10.885 -2.821 296 HB2 ARG 40 HB2 ARG 40 5.051 -9.489 -4.830 297 HB3 ARG 40 HB1 ARG 40 6.230 -10.773 -5.061 298 HG2 ARG 40 HG2 ARG 40 4.477 -12.079 -6.254 299 HG3 ARG 40 HG1 ARG 40 3.427 -10.664 -6.146 300 HD2 ARG 40 HD2 ARG 40 4.513 -10.735 -8.305 301 HD3 ARG 40 HD1 ARG 40 5.096 -9.353 -7.380 302 HE ARG 40 HE ARG 40 6.933 -11.242 -6.822 303 HH11 ARG 40 HH11 ARG 40 5.572 -10.125 -9.847 304 HH12 ARG 40 HH12 ARG 40 7.030 -10.396 -10.748 305 HH21 ARG 40 HH21 ARG 40 8.849 -11.613 -8.009 306 HH22 ARG 40 HH22 ARG 40 8.881 -11.262 -9.707 307 H TRP 41 HN TRP 41 3.724 -9.294 -2.442 308 HA TRP 41 HA TRP 41 0.921 -10.018 -2.998 309 HB2 TRP 41 HB2 TRP 41 2.184 -8.594 -0.657 310 HB3 TRP 41 HB1 TRP 41 0.465 -8.495 -0.991 311 HD1 TRP 41 HD1 TRP 41 2.290 -11.844 -1.379 312 HE1 TRP 41 HE1 TRP 41 1.442 -13.440 0.461 313 HE3 TRP 41 HE3 TRP 41 -0.516 -8.543 1.323 314 HZ2 TRP 41 HZ2 TRP 41 -0.203 -13.303 2.753 315 HZ3 TRP 41 HZ3 TRP 41 -1.693 -9.348 3.320 316 HH2 TRP 41 HH2 TRP 41 -1.544 -11.679 4.022 317 H LYS 42 HN LYS 42 -0.511 -8.089 -3.181 318 HA LYS 42 HA LYS 42 0.893 -5.621 -3.840 319 HB2 LYS 42 HB2 LYS 42 -0.515 -5.216 -5.787 320 HB3 LYS 42 HB1 LYS 42 0.392 -6.705 -5.989 321 HG2 LYS 42 HG2 LYS 42 -1.602 -7.988 -5.375 322 HG3 LYS 42 HG1 LYS 42 -2.507 -6.480 -5.217 323 HD2 LYS 42 HD2 LYS 42 -2.076 -5.974 -7.568 324 HD3 LYS 42 HD1 LYS 42 -1.161 -7.473 -7.729 325 HE2 LYS 42 HE2 LYS 42 -3.365 -7.822 -8.605 326 HE3 LYS 42 HE1 LYS 42 -3.210 -8.725 -7.100 327 HZ1 LYS 42 HZ1 LYS 42 -4.547 -6.091 -7.412 328 HZ2 LYS 42 HZ2 LYS 42 -4.397 -6.947 -5.965 329 HZ3 LYS 42 HZ3 LYS 42 -5.324 -7.580 -7.226 330 H GLY 43 HN GLY 43 -0.504 -3.730 -3.704 331 HA2 GLY 43 HA2 GLY 43 -3.032 -4.077 -2.331 332 HA3 GLY 43 HA1 GLY 43 -1.737 -3.426 -1.335 333 H CYS 44 HN CYS 44 -4.004 -2.002 -1.748 334 HA CYS 44 HA CYS 44 -3.187 0.086 -3.650 335 HB2 CYS 44 HB2 CYS 44 -5.916 -0.413 -2.451 336 HB3 CYS 44 HB1 CYS 44 -5.520 0.783 -3.681 337 HG CYS 44 HG CYS 44 -5.143 -0.941 -5.726 338 H ILE 45 HN ILE 45 -3.314 2.257 -2.974 339 HA ILE 45 HA ILE 45 -3.039 2.604 -0.070 340 HB ILE 45 HB ILE 45 -2.170 4.372 -2.370 341 HG12 ILE 45 HG12 ILE 45 -0.803 2.342 -2.025 342 HG13 ILE 45 HG11 ILE 45 0.095 3.815 -1.681 343 HG21 ILE 45 HG21 ILE 45 -1.768 4.798 0.587 344 HG22 ILE 45 HG22 ILE 45 -2.840 5.731 -0.455 345 HG23 ILE 45 HG23 ILE 45 -1.095 5.794 -0.704 346 HD11 ILE 45 HD11 ILE 45 0.579 2.111 -0.038 347 HD12 ILE 45 HD12 ILE 45 -1.132 1.971 0.352 348 HD13 ILE 45 HD13 ILE 45 -0.265 3.462 0.714 349 H HIS 46 HN HIS 46 -4.361 3.964 1.052 350 HA HIS 46 HA HIS 46 -6.609 5.107 -0.463 351 HB2 HIS 46 HB2 HIS 46 -7.166 3.531 1.372 352 HB3 HIS 46 HB1 HIS 46 -6.327 4.574 2.509 353 HD2 HIS 46 HD2 HIS 46 -7.621 7.090 2.965 354 HE1 HIS 46 HE1 HIS 46 -11.349 5.611 1.621 355 HE2 HIS 46 HE2 HIS 46 -10.198 7.340 3.080 356 H ASP 47 HN ASP 47 -6.035 7.069 -1.098 357 HA ASP 47 HA ASP 47 -4.190 8.679 0.363 358 HB2 ASP 47 HB2 ASP 47 -4.151 8.801 -2.029 359 HB3 ASP 47 HB1 ASP 47 -5.857 9.226 -2.091 360 H ASN 48 HN ASN 48 -4.787 9.505 2.190 361 HA ASN 48 HA ASN 48 -7.490 10.421 2.670 362 HB2 ASN 48 HB2 ASN 48 -6.448 10.948 4.979 363 HB3 ASN 48 HB1 ASN 48 -6.607 9.261 4.504 364 HD21 ASN 48 HD21 ASN 48 -4.781 8.099 3.902 365 HD22 ASN 48 HD22 ASN 48 -3.177 8.622 4.321 366 H ARG 49 HN ARG 49 -5.756 11.838 0.759 367 HA ARG 49 HA ARG 49 -5.752 14.489 2.046 368 HB2 ARG 49 HB2 ARG 49 -4.096 13.451 -0.261 369 HB3 ARG 49 HB1 ARG 49 -4.152 15.140 0.223 370 HG2 ARG 49 HG2 ARG 49 -3.222 14.578 2.388 371 HG3 ARG 49 HG1 ARG 49 -3.228 12.863 1.963 372 HD2 ARG 49 HD2 ARG 49 -1.008 13.932 1.708 373 HD3 ARG 49 HD1 ARG 49 -1.627 13.242 0.210 374 HE ARG 49 HE ARG 49 -2.390 15.673 -0.208 375 HH11 ARG 49 HH11 ARG 49 0.543 14.760 1.474 376 HH12 ARG 49 HH12 ARG 49 1.426 16.154 0.941 377 HH21 ARG 49 HH21 ARG 49 -1.253 17.513 -0.876 378 HH22 ARG 49 HH22 ARG 49 0.403 17.727 -0.397 379 H THR 50 HN THR 50 -5.843 13.247 -1.283 380 HA THR 50 HA THR 50 -7.978 15.171 -1.881 381 HB THR 50 HB THR 50 -6.273 13.588 -3.817 382 HG1 THR 50 HG1 THR 50 -5.902 16.131 -2.608 383 HG21 THR 50 HG21 THR 50 -8.377 14.433 -4.755 384 HG22 THR 50 HG22 THR 50 -6.990 15.284 -5.437 385 HG23 THR 50 HG23 THR 50 -7.976 16.056 -4.198 386 H GLY 51 HN GLY 51 -7.100 11.769 -2.021 387 HA2 GLY 51 HA2 GLY 51 -8.961 10.197 -1.571 388 HA3 GLY 51 HA1 GLY 51 -9.904 11.134 -2.720 389 H ASN 52 HN ASN 52 -6.568 10.577 -3.355 390 HA ASN 52 HA ASN 52 -7.175 9.307 -5.837 391 HB2 ASN 52 HB2 ASN 52 -4.526 9.775 -4.460 392 HB3 ASN 52 HB1 ASN 52 -4.714 9.216 -6.117 393 HD21 ASN 52 HD21 ASN 52 -6.997 10.920 -6.667 394 HD22 ASN 52 HD22 ASN 52 -6.373 12.526 -6.821 395 H ASP 53 HN ASP 53 -6.148 7.294 -6.546 396 HA ASP 53 HA ASP 53 -5.864 5.300 -4.401 397 HB2 ASP 53 HB2 ASP 53 -8.086 5.012 -5.331 398 HB3 ASP 53 HB1 ASP 53 -7.443 5.026 -6.969 399 H ARG 54 HN ARG 54 -3.987 4.258 -4.546 400 HA ARG 54 HA ARG 54 -2.757 3.924 -7.202 401 HB2 ARG 54 HB2 ARG 54 -1.271 4.517 -4.631 402 HB3 ARG 54 HB1 ARG 54 -0.540 4.239 -6.203 403 HG2 ARG 54 HG2 ARG 54 -2.309 6.555 -5.446 404 HG3 ARG 54 HG1 ARG 54 -0.558 6.596 -5.660 405 HD2 ARG 54 HD2 ARG 54 -0.832 5.989 -8.014 406 HD3 ARG 54 HD1 ARG 54 -2.582 5.945 -7.799 407 HE ARG 54 HE ARG 54 -0.951 8.385 -7.484 408 HH11 ARG 54 HH11 ARG 54 -3.877 6.769 -8.541 409 HH12 ARG 54 HH12 ARG 54 -4.633 8.236 -9.081 410 HH21 ARG 54 HH21 ARG 54 -1.950 10.298 -8.189 411 HH22 ARG 54 HH22 ARG 54 -3.538 10.239 -8.883 412 H VAL 55 HN VAL 55 -1.914 1.911 -7.610 413 HA VAL 55 HA VAL 55 -2.074 -0.037 -5.409 414 HB VAL 55 HB VAL 55 -3.620 -0.550 -7.242 415 HG11 VAL 55 HG11 VAL 55 -2.750 -1.237 -9.446 416 HG12 VAL 55 HG12 VAL 55 -1.148 -0.684 -8.959 417 HG13 VAL 55 HG13 VAL 55 -2.473 0.469 -9.104 418 HG21 VAL 55 HG21 VAL 55 -1.307 -2.477 -7.069 419 HG22 VAL 55 HG22 VAL 55 -2.925 -2.866 -7.653 420 HG23 VAL 55 HG23 VAL 55 -2.685 -2.396 -5.971 421 H GLY 56 HN GLY 56 -0.346 -1.381 -4.999 422 HA2 GLY 56 HA2 GLY 56 1.993 -1.209 -6.737 423 HA3 GLY 56 HA1 GLY 56 2.184 -0.614 -5.096 424 H TYR 57 HN TYR 57 3.759 -2.644 -6.017 425 HA TYR 57 HA TYR 57 2.637 -5.069 -4.794 426 HB2 TYR 57 HB2 TYR 57 4.841 -4.670 -6.811 427 HB3 TYR 57 HB1 TYR 57 4.628 -6.186 -5.946 428 HD1 TYR 57 HD1 TYR 57 3.127 -7.802 -6.757 429 HD2 TYR 57 HD2 TYR 57 2.856 -3.798 -8.173 430 HE1 TYR 57 HE1 TYR 57 1.473 -8.510 -8.432 431 HE2 TYR 57 HE2 TYR 57 1.203 -4.497 -9.852 432 HH TYR 57 HH TYR 57 0.430 -6.422 -10.991 433 H PHE 58 HN PHE 58 3.874 -6.275 -3.338 434 HA PHE 58 HA PHE 58 6.372 -5.242 -2.320 435 HB2 PHE 58 HB2 PHE 58 5.566 -4.954 -0.011 436 HB3 PHE 58 HB1 PHE 58 4.755 -3.843 -1.105 437 HD1 PHE 58 HD1 PHE 58 2.410 -4.367 -1.839 438 HD2 PHE 58 HD2 PHE 58 4.355 -6.475 1.300 439 HE1 PHE 58 HE1 PHE 58 0.235 -5.181 -1.039 440 HE2 PHE 58 HE2 PHE 58 2.182 -7.293 2.106 441 HZ PHE 58 HZ PHE 58 0.113 -6.572 0.993 442 HA PRO 59 HA PRO 59 7.179 -9.464 -1.364 443 HB2 PRO 59 HB2 PRO 59 7.578 -8.892 1.520 444 HB3 PRO 59 HB1 PRO 59 8.674 -9.648 0.359 445 HG2 PRO 59 HG2 PRO 59 9.069 -7.141 1.205 446 HG3 PRO 59 HG1 PRO 59 9.418 -7.620 -0.466 447 HD2 PRO 59 HD2 PRO 59 7.110 -6.070 0.624 448 HD3 PRO 59 HD1 PRO 59 7.970 -5.882 -0.917 449 H SER 60 HN SER 60 5.810 -8.494 1.766 450 HA SER 60 HA SER 60 3.231 -9.481 1.422 451 HB2 SER 60 HB2 SER 60 3.448 -11.596 2.829 452 HB3 SER 60 HB1 SER 60 4.073 -11.701 1.184 453 HG SER 60 HG SER 60 5.959 -10.838 2.960 454 H SER 61 HN SER 61 1.987 -8.900 3.150 455 HA SER 61 HA SER 61 1.414 -7.793 5.052 456 HB2 SER 61 HB2 SER 61 3.799 -9.211 6.254 457 HB3 SER 61 HB1 SER 61 2.383 -8.603 7.111 458 HG SER 61 HG SER 61 2.713 -10.915 5.632 459 H LEU 62 HN LEU 62 2.390 -5.931 3.652 460 HA LEU 62 HA LEU 62 4.890 -4.829 4.365 461 HB2 LEU 62 HB2 LEU 62 3.708 -4.312 2.264 462 HB3 LEU 62 HB1 LEU 62 2.481 -3.454 3.177 463 HG LEU 62 HG LEU 62 4.211 -1.840 3.928 464 HD11 LEU 62 HD11 LEU 62 6.169 -3.264 3.748 465 HD12 LEU 62 HD12 LEU 62 6.373 -1.805 2.778 466 HD13 LEU 62 HD13 LEU 62 5.976 -3.336 1.997 467 HD21 LEU 62 HD21 LEU 62 4.432 -0.682 1.790 468 HD22 LEU 62 HD22 LEU 62 2.810 -1.341 2.000 469 HD23 LEU 62 HD23 LEU 62 3.963 -2.154 0.942 470 H GLY 63 HN GLY 63 1.597 -3.797 5.224 471 HA2 GLY 63 HA2 GLY 63 2.748 -2.251 7.440 472 HA3 GLY 63 HA1 GLY 63 1.166 -1.975 6.723 473 H GLU 64 HN GLU 64 1.111 -2.043 9.316 474 HA GLU 64 HA GLU 64 0.667 -4.739 10.288 475 HB2 GLU 64 HB2 GLU 64 0.317 -2.065 11.649 476 HB3 GLU 64 HB1 GLU 64 0.167 -3.631 12.436 477 HG2 GLU 64 HG2 GLU 64 2.521 -4.098 11.871 478 HG3 GLU 64 HG1 GLU 64 2.651 -2.481 11.184 479 H ALA 65 HN ALA 65 -1.237 -5.730 10.314 480 HA ALA 65 HA ALA 65 -3.493 -4.471 9.089 481 HB1 ALA 65 HB1 ALA 65 -3.367 -7.162 10.441 482 HB2 ALA 65 HB2 ALA 65 -2.931 -6.859 8.761 483 HB3 ALA 65 HB3 ALA 65 -4.591 -6.603 9.299 484 H ILE 66 HN ILE 66 -4.913 -3.242 10.056 485 HA ILE 66 HA ILE 66 -5.153 -3.298 12.959 486 HB ILE 66 HB ILE 66 -6.563 -1.305 12.707 487 HG12 ILE 66 HG12 ILE 66 -6.037 -1.603 9.738 488 HG13 ILE 66 HG11 ILE 66 -7.585 -1.882 10.528 489 HG21 ILE 66 HG21 ILE 66 -3.969 -1.183 11.174 490 HG22 ILE 66 HG22 ILE 66 -4.167 -1.031 12.919 491 HG23 ILE 66 HG23 ILE 66 -4.825 0.205 11.846 492 HD11 ILE 66 HD11 ILE 66 -6.113 0.737 10.401 493 HD12 ILE 66 HD12 ILE 66 -7.660 0.463 11.199 494 HD13 ILE 66 HD13 ILE 66 -7.527 0.287 9.449 495 H VAL 67 HN VAL 67 -6.544 -4.863 10.413 496 HA VAL 67 HA VAL 67 -9.171 -5.050 11.691 497 HB VAL 67 HB VAL 67 -9.917 -6.145 9.570 498 HG11 VAL 67 HG11 VAL 67 -10.347 -3.792 9.959 499 HG12 VAL 67 HG12 VAL 67 -9.980 -4.066 8.257 500 HG13 VAL 67 HG13 VAL 67 -8.759 -3.372 9.322 501 HG21 VAL 67 HG21 VAL 67 -7.221 -5.258 8.538 502 HG22 VAL 67 HG22 VAL 67 -8.534 -5.932 7.572 503 HG23 VAL 67 HG23 VAL 67 -7.730 -6.927 8.785 Start of MODEL 25 1 H1 GLY 1 HT1 GLY 1 -4.868 -18.100 -2.647 2 H2 GLY 1 HT2 GLY 1 -5.656 -19.411 -1.926 3 H3 GLY 1 HT3 GLY 1 -4.860 -18.273 -0.966 4 HA2 GLY 1 HA1 GLY 1 -7.252 -17.754 -2.634 5 HA3 GLY 1 HA2 GLY 1 -7.247 -17.941 -0.885 6 H SER 2 HN SER 2 -8.328 -15.717 -1.417 7 HA SER 2 HA SER 2 -6.210 -13.687 -1.260 8 HB2 SER 2 HB2 SER 2 -8.994 -13.450 -2.417 9 HB3 SER 2 HB1 SER 2 -7.905 -12.084 -2.165 10 HG SER 2 HG SER 2 -6.390 -13.584 -3.456 11 H HIS 3 HN HIS 3 -6.101 -14.012 1.001 12 HA HIS 3 HA HIS 3 -8.109 -13.738 2.872 13 HB2 HIS 3 HB2 HIS 3 -5.849 -14.336 3.487 14 HB3 HIS 3 HB1 HIS 3 -5.243 -12.778 2.945 15 HD2 HIS 3 HD2 HIS 3 -7.777 -13.961 5.742 16 HE1 HIS 3 HE1 HIS 3 -5.466 -10.695 7.103 17 HE2 HIS 3 HE2 HIS 3 -7.086 -12.518 7.780 18 H MET 4 HN MET 4 -6.030 -11.098 1.669 19 HA MET 4 HA MET 4 -6.376 -8.887 1.343 20 HB2 MET 4 HB2 MET 4 -9.295 -9.617 1.586 21 HB3 MET 4 HB1 MET 4 -8.709 -8.020 1.148 22 HG2 MET 4 HG2 MET 4 -7.597 -8.993 -0.818 23 HG3 MET 4 HG1 MET 4 -8.269 -10.567 -0.392 24 HE1 MET 4 HE1 MET 4 -10.834 -6.926 -1.606 25 HE2 MET 4 HE2 MET 4 -9.083 -6.882 -1.399 26 HE3 MET 4 HE3 MET 4 -10.132 -7.089 0.003 27 H LEU 5 HN LEU 5 -5.843 -7.381 2.741 28 HA LEU 5 HA LEU 5 -7.274 -7.116 5.249 29 HB2 LEU 5 HB2 LEU 5 -5.202 -7.255 6.605 30 HB3 LEU 5 HB1 LEU 5 -5.675 -8.783 5.892 31 HG LEU 5 HG LEU 5 -3.588 -7.066 4.572 32 HD11 LEU 5 HD11 LEU 5 -2.832 -7.322 6.851 33 HD12 LEU 5 HD12 LEU 5 -1.884 -8.359 5.785 34 HD13 LEU 5 HD13 LEU 5 -3.153 -9.055 6.791 35 HD21 LEU 5 HD21 LEU 5 -4.478 -8.946 3.292 36 HD22 LEU 5 HD22 LEU 5 -4.094 -10.042 4.618 37 HD23 LEU 5 HD23 LEU 5 -2.796 -9.232 3.742 38 H GLN 6 HN GLN 6 -6.850 -5.158 6.327 39 HA GLN 6 HA GLN 6 -5.581 -3.132 4.630 40 HB2 GLN 6 HB2 GLN 6 -7.994 -2.838 5.236 41 HB3 GLN 6 HB1 GLN 6 -7.511 -2.721 6.920 42 HG2 GLN 6 HG2 GLN 6 -6.176 -0.740 6.389 43 HG3 GLN 6 HG1 GLN 6 -6.692 -0.855 4.708 44 HE21 GLN 6 HE21 GLN 6 -7.641 -0.046 7.943 45 HE22 GLN 6 HE22 GLN 6 -9.134 0.715 7.532 46 H VAL 7 HN VAL 7 -3.710 -2.322 5.266 47 HA VAL 7 HA VAL 7 -2.887 -2.772 8.055 48 HB VAL 7 HB VAL 7 -0.594 -3.105 7.290 49 HG11 VAL 7 HG11 VAL 7 -2.579 -4.905 5.909 50 HG12 VAL 7 HG12 VAL 7 -1.961 -5.076 7.552 51 HG13 VAL 7 HG13 VAL 7 -0.877 -5.287 6.177 52 HG21 VAL 7 HG21 VAL 7 -0.589 -1.761 5.284 53 HG22 VAL 7 HG22 VAL 7 -1.732 -2.860 4.508 54 HG23 VAL 7 HG23 VAL 7 -0.101 -3.410 4.892 55 H ARG 8 HN ARG 8 -1.639 -1.212 9.038 56 HA ARG 8 HA ARG 8 -1.312 1.319 7.559 57 HB2 ARG 8 HB2 ARG 8 -1.432 0.858 10.547 58 HB3 ARG 8 HB1 ARG 8 -1.146 2.409 9.775 59 HG2 ARG 8 HG2 ARG 8 -3.371 2.235 8.710 60 HG3 ARG 8 HG1 ARG 8 -3.652 0.752 9.626 61 HD2 ARG 8 HD2 ARG 8 -3.211 3.527 10.714 62 HD3 ARG 8 HD1 ARG 8 -4.682 2.558 10.804 63 HE ARG 8 HE ARG 8 -2.228 1.608 12.110 64 HH11 ARG 8 HH11 ARG 8 -5.528 2.758 12.352 65 HH12 ARG 8 HH12 ARG 8 -5.698 2.283 14.010 66 HH21 ARG 8 HH21 ARG 8 -2.452 0.996 14.288 67 HH22 ARG 8 HH22 ARG 8 -3.949 1.296 15.115 68 H ALA 9 HN ALA 9 0.704 1.661 6.914 69 HA ALA 9 HA ALA 9 2.874 0.493 8.522 70 HB1 ALA 9 HB1 ALA 9 2.639 -0.595 6.333 71 HB2 ALA 9 HB2 ALA 9 4.176 0.257 6.487 72 HB3 ALA 9 HB3 ALA 9 2.865 0.966 5.546 73 H THR 10 HN THR 10 4.553 1.788 9.103 74 HA THR 10 HA THR 10 4.366 4.580 8.228 75 HB THR 10 HB THR 10 6.117 4.830 10.172 76 HG1 THR 10 HG1 THR 10 4.715 2.718 11.352 77 HG21 THR 10 HG21 THR 10 4.276 5.162 11.772 78 HG22 THR 10 HG22 THR 10 3.186 4.308 10.679 79 HG23 THR 10 HG23 THR 10 3.903 5.842 10.188 80 H LYS 11 HN LYS 11 5.387 4.543 6.344 81 HA LYS 11 HA LYS 11 8.211 4.756 6.387 82 HB2 LYS 11 HB2 LYS 11 7.940 2.272 6.163 83 HB3 LYS 11 HB1 LYS 11 7.029 2.541 4.684 84 HG2 LYS 11 HG2 LYS 11 8.955 3.487 3.605 85 HG3 LYS 11 HG1 LYS 11 9.878 3.410 5.108 86 HD2 LYS 11 HD2 LYS 11 9.696 0.967 5.087 87 HD3 LYS 11 HD1 LYS 11 8.784 1.051 3.579 88 HE2 LYS 11 HE2 LYS 11 11.137 0.502 3.178 89 HE3 LYS 11 HE1 LYS 11 10.703 2.049 2.456 90 HZ1 LYS 11 HZ1 LYS 11 11.730 3.173 4.329 91 HZ2 LYS 11 HZ2 LYS 11 12.843 2.147 3.580 92 HZ3 LYS 11 HZ3 LYS 11 12.125 1.693 5.041 93 H ASP 12 HN ASP 12 8.845 6.071 4.666 94 HA ASP 12 HA ASP 12 6.608 7.010 3.029 95 HB2 ASP 12 HB2 ASP 12 7.813 9.063 2.715 96 HB3 ASP 12 HB1 ASP 12 7.826 8.681 4.431 97 H TYR 13 HN TYR 13 6.483 6.448 1.009 98 HA TYR 13 HA TYR 13 8.915 5.558 -0.385 99 HB2 TYR 13 HB2 TYR 13 6.021 4.796 -0.696 100 HB3 TYR 13 HB1 TYR 13 7.186 4.504 -1.980 101 HD1 TYR 13 HD1 TYR 13 9.253 3.104 -1.377 102 HD2 TYR 13 HD2 TYR 13 5.742 3.231 1.017 103 HE1 TYR 13 HE1 TYR 13 9.884 0.968 -0.344 104 HE2 TYR 13 HE2 TYR 13 6.369 1.095 2.062 105 HH TYR 13 HH TYR 13 7.780 -0.913 1.436 106 H CYS 14 HN CYS 14 8.094 5.724 -2.970 107 HA CYS 14 HA CYS 14 8.282 8.524 -3.479 108 HB2 CYS 14 HB2 CYS 14 7.705 6.331 -5.469 109 HB3 CYS 14 HB1 CYS 14 8.383 7.920 -5.798 110 HG CYS 14 HG CYS 14 10.565 7.007 -3.849 111 H ASN 15 HN ASN 15 6.569 9.784 -3.157 112 HA ASN 15 HA ASN 15 3.908 8.860 -3.929 113 HB2 ASN 15 HB2 ASN 15 4.884 11.257 -2.378 114 HB3 ASN 15 HB1 ASN 15 3.226 11.130 -2.949 115 HD21 ASN 15 HD21 ASN 15 5.616 9.828 -0.771 116 HD22 ASN 15 HD22 ASN 15 4.509 8.934 0.210 117 H ASN 16 HN ASN 16 6.373 9.900 -5.549 118 HA ASN 16 HA ASN 16 4.938 11.818 -7.253 119 HB2 ASN 16 HB2 ASN 16 7.861 11.137 -6.954 120 HB3 ASN 16 HB1 ASN 16 7.261 12.043 -8.332 121 HD21 ASN 16 HD21 ASN 16 5.972 12.379 -5.086 122 HD22 ASN 16 HD22 ASN 16 6.566 13.983 -4.821 123 H TYR 17 HN TYR 17 6.123 11.415 -9.671 124 HA TYR 17 HA TYR 17 4.893 8.940 -10.512 125 HB2 TYR 17 HB2 TYR 17 6.297 11.106 -12.087 126 HB3 TYR 17 HB1 TYR 17 5.496 9.714 -12.802 127 HD1 TYR 17 HD1 TYR 17 3.055 9.540 -12.795 128 HD2 TYR 17 HD2 TYR 17 5.024 12.944 -11.171 129 HE1 TYR 17 HE1 TYR 17 0.928 10.774 -12.817 130 HE2 TYR 17 HE2 TYR 17 2.902 14.187 -11.189 131 HH TYR 17 HH TYR 17 0.744 14.143 -12.337 132 H ASP 18 HN ASP 18 6.615 7.885 -9.071 133 HA ASP 18 HA ASP 18 8.953 7.185 -10.718 134 HB2 ASP 18 HB2 ASP 18 8.745 7.423 -7.716 135 HB3 ASP 18 HB1 ASP 18 10.097 6.653 -8.534 136 H LEU 19 HN LEU 19 9.834 4.966 -10.103 137 HA LEU 19 HA LEU 19 7.549 3.134 -9.902 138 HB2 LEU 19 HB2 LEU 19 8.982 2.928 -11.894 139 HB3 LEU 19 HB1 LEU 19 10.373 2.643 -10.867 140 HG LEU 19 HG LEU 19 9.313 0.554 -10.056 141 HD11 LEU 19 HD11 LEU 19 7.246 1.165 -12.157 142 HD12 LEU 19 HD12 LEU 19 6.983 1.138 -10.415 143 HD13 LEU 19 HD13 LEU 19 7.388 -0.348 -11.270 144 HD21 LEU 19 HD21 LEU 19 10.919 0.477 -11.873 145 HD22 LEU 19 HD22 LEU 19 9.638 0.784 -13.045 146 HD23 LEU 19 HD23 LEU 19 9.650 -0.722 -12.126 147 H THR 20 HN THR 20 7.178 2.529 -7.925 148 HA THR 20 HA THR 20 9.376 1.857 -6.117 149 HB THR 20 HB THR 20 8.786 4.183 -5.634 150 HG1 THR 20 HG1 THR 20 7.477 2.961 -3.506 151 HG21 THR 20 HG21 THR 20 6.516 4.766 -4.849 152 HG22 THR 20 HG22 THR 20 5.973 3.142 -5.270 153 HG23 THR 20 HG23 THR 20 6.534 4.241 -6.532 154 H SER 21 HN SER 21 8.545 0.718 -4.162 155 HA SER 21 HA SER 21 6.256 -0.974 -4.856 156 HB2 SER 21 HB2 SER 21 8.341 -1.328 -2.681 157 HB3 SER 21 HB1 SER 21 7.126 -2.512 -3.167 158 HG SER 21 HG SER 21 8.489 -1.748 -5.335 159 H LEU 22 HN LEU 22 4.448 -0.084 -4.180 160 HA LEU 22 HA LEU 22 2.833 0.827 -2.898 161 HB2 LEU 22 HB2 LEU 22 4.831 0.314 -0.724 162 HB3 LEU 22 HB1 LEU 22 3.396 1.261 -0.404 163 HG LEU 22 HG LEU 22 3.021 -1.005 0.306 164 HD11 LEU 22 HD11 LEU 22 1.017 -1.540 -0.932 165 HD12 LEU 22 HD12 LEU 22 1.524 -0.496 -2.256 166 HD13 LEU 22 HD13 LEU 22 1.133 0.200 -0.685 167 HD21 LEU 22 HD21 LEU 22 3.663 -1.824 -2.522 168 HD22 LEU 22 HD22 LEU 22 3.083 -2.889 -1.240 169 HD23 LEU 22 HD23 LEU 22 4.665 -2.122 -1.102 170 H ASN 23 HN ASN 23 2.199 2.879 -2.101 171 HA ASN 23 HA ASN 23 4.240 4.971 -2.484 172 HB2 ASN 23 HB2 ASN 23 1.310 5.117 -3.233 173 HB3 ASN 23 HB1 ASN 23 2.499 6.393 -3.463 174 HD21 ASN 23 HD21 ASN 23 3.944 6.258 -5.154 175 HD22 ASN 23 HD22 ASN 23 3.773 5.099 -6.429 176 H VAL 24 HN VAL 24 4.069 4.125 -0.042 177 HA VAL 24 HA VAL 24 1.943 5.359 1.477 178 HB VAL 24 HB VAL 24 4.459 4.204 2.652 179 HG11 VAL 24 HG11 VAL 24 2.935 5.327 4.181 180 HG12 VAL 24 HG12 VAL 24 2.983 3.594 4.504 181 HG13 VAL 24 HG13 VAL 24 1.612 4.291 3.641 182 HG21 VAL 24 HG21 VAL 24 2.061 2.637 1.714 183 HG22 VAL 24 HG22 VAL 24 3.392 1.996 2.679 184 HG23 VAL 24 HG23 VAL 24 3.688 2.568 1.039 185 H LYS 25 HN LYS 25 2.172 7.110 2.882 186 HA LYS 25 HA LYS 25 4.717 8.560 2.676 187 HB2 LYS 25 HB2 LYS 25 3.075 10.571 3.297 188 HB3 LYS 25 HB1 LYS 25 3.425 10.099 1.642 189 HG2 LYS 25 HG2 LYS 25 1.353 8.733 1.646 190 HG3 LYS 25 HG1 LYS 25 0.991 9.363 3.256 191 HD2 LYS 25 HD2 LYS 25 0.793 11.579 2.446 192 HD3 LYS 25 HD1 LYS 25 1.505 11.152 0.894 193 HE2 LYS 25 HE2 LYS 25 -0.871 11.445 0.637 194 HE3 LYS 25 HE1 LYS 25 -0.461 9.748 0.409 195 HZ1 LYS 25 HZ1 LYS 25 -1.418 9.154 2.407 196 HZ2 LYS 25 HZ2 LYS 25 -2.473 10.366 1.848 197 HZ3 LYS 25 HZ3 LYS 25 -1.334 10.723 3.045 198 H ALA 26 HN ALA 26 4.680 6.742 4.500 199 HA ALA 26 HA ALA 26 5.054 6.290 6.681 200 HB1 ALA 26 HB1 ALA 26 6.672 8.077 6.366 201 HB2 ALA 26 HB2 ALA 26 6.037 8.066 8.011 202 HB3 ALA 26 HB3 ALA 26 5.463 9.265 6.853 203 H GLY 27 HN GLY 27 2.992 5.538 7.211 204 HA2 GLY 27 HA2 GLY 27 1.403 5.510 8.951 205 HA3 GLY 27 HA1 GLY 27 1.625 7.244 9.149 206 H ASP 28 HN ASP 28 0.514 4.930 6.700 207 HA ASP 28 HA ASP 28 -1.780 6.685 6.197 208 HB2 ASP 28 HB2 ASP 28 0.240 6.833 4.504 209 HB3 ASP 28 HB1 ASP 28 -0.433 5.328 3.890 210 H ILE 29 HN ILE 29 -3.230 5.346 4.480 211 HA ILE 29 HA ILE 29 -3.708 2.801 5.875 212 HB ILE 29 HB ILE 29 -5.582 4.470 4.188 213 HG12 ILE 29 HG12 ILE 29 -5.086 5.518 6.337 214 HG13 ILE 29 HG11 ILE 29 -6.741 4.923 6.315 215 HG21 ILE 29 HG21 ILE 29 -7.344 2.948 4.957 216 HG22 ILE 29 HG22 ILE 29 -6.129 1.960 5.766 217 HG23 ILE 29 HG23 ILE 29 -6.116 2.106 4.009 218 HD11 ILE 29 HD11 ILE 29 -4.384 3.649 7.675 219 HD12 ILE 29 HD12 ILE 29 -5.994 2.938 7.579 220 HD13 ILE 29 HD13 ILE 29 -5.750 4.455 8.443 221 H ILE 30 HN ILE 30 -2.995 1.065 4.872 222 HA ILE 30 HA ILE 30 -2.985 1.040 1.927 223 HB ILE 30 HB ILE 30 -1.463 -0.854 3.705 224 HG12 ILE 30 HG12 ILE 30 -0.434 1.716 2.483 225 HG13 ILE 30 HG11 ILE 30 -0.791 1.490 4.193 226 HG21 ILE 30 HG21 ILE 30 -1.112 -0.025 0.824 227 HG22 ILE 30 HG22 ILE 30 -1.799 -1.546 1.389 228 HG23 ILE 30 HG23 ILE 30 -0.101 -1.179 1.694 229 HD11 ILE 30 HD11 ILE 30 0.921 -0.261 4.299 230 HD12 ILE 30 HD12 ILE 30 1.577 1.295 3.790 231 HD13 ILE 30 HD13 ILE 30 1.297 0.025 2.600 232 H THR 31 HN THR 31 -4.478 -0.193 1.000 233 HA THR 31 HA THR 31 -5.698 -2.362 2.565 234 HB THR 31 HB THR 31 -6.704 -1.176 -0.027 235 HG1 THR 31 HG1 THR 31 -6.539 0.085 2.225 236 HG21 THR 31 HG21 THR 31 -8.071 -2.792 2.131 237 HG22 THR 31 HG22 THR 31 -7.590 -3.390 0.543 238 HG23 THR 31 HG23 THR 31 -8.841 -2.153 0.678 239 H VAL 32 HN VAL 32 -4.624 -4.228 2.211 240 HA VAL 32 HA VAL 32 -3.435 -4.592 -0.448 241 HB VAL 32 HB VAL 32 -1.769 -6.013 0.525 242 HG11 VAL 32 HG11 VAL 32 -1.345 -3.622 0.664 243 HG12 VAL 32 HG12 VAL 32 -0.641 -4.467 2.042 244 HG13 VAL 32 HG13 VAL 32 -2.143 -3.563 2.236 245 HG21 VAL 32 HG21 VAL 32 -3.192 -5.674 3.157 246 HG22 VAL 32 HG22 VAL 32 -1.665 -6.520 2.903 247 HG23 VAL 32 HG23 VAL 32 -3.150 -7.147 2.187 248 H LEU 33 HN LEU 33 -3.625 -6.500 -1.541 249 HA LEU 33 HA LEU 33 -5.626 -8.339 -0.453 250 HB2 LEU 33 HB2 LEU 33 -6.215 -8.904 -2.839 251 HB3 LEU 33 HB1 LEU 33 -6.767 -7.367 -2.235 252 HG LEU 33 HG LEU 33 -6.066 -7.299 -4.590 253 HD11 LEU 33 HD11 LEU 33 -4.319 -5.621 -2.809 254 HD12 LEU 33 HD12 LEU 33 -5.984 -5.265 -3.263 255 HD13 LEU 33 HD13 LEU 33 -4.722 -5.292 -4.493 256 HD21 LEU 33 HD21 LEU 33 -4.271 -8.963 -4.467 257 HD22 LEU 33 HD22 LEU 33 -3.272 -7.800 -3.594 258 HD23 LEU 33 HD23 LEU 33 -3.770 -7.468 -5.252 259 H GLU 34 HN GLU 34 -5.413 -10.575 -1.144 260 HA GLU 34 HA GLU 34 -2.555 -11.211 -1.063 261 HB2 GLU 34 HB2 GLU 34 -3.816 -11.869 0.909 262 HB3 GLU 34 HB1 GLU 34 -4.955 -12.761 -0.083 263 HG2 GLU 34 HG2 GLU 34 -3.190 -14.313 -0.727 264 HG3 GLU 34 HG1 GLU 34 -2.036 -13.410 0.255 265 H GLN 35 HN GLN 35 -1.741 -11.887 -2.886 266 HA GLN 35 HA GLN 35 -3.429 -13.406 -4.751 267 HB2 GLN 35 HB2 GLN 35 -0.900 -11.825 -5.262 268 HB3 GLN 35 HB1 GLN 35 -1.770 -12.746 -6.479 269 HG2 GLN 35 HG2 GLN 35 -2.844 -10.387 -4.949 270 HG3 GLN 35 HG1 GLN 35 -2.270 -10.367 -6.616 271 HE21 GLN 35 HE21 GLN 35 -3.431 -12.920 -7.309 272 HE22 GLN 35 HE22 GLN 35 -5.139 -12.674 -7.415 273 H HIS 36 HN HIS 36 0.017 -13.180 -3.848 274 HA HIS 36 HA HIS 36 0.112 -16.122 -3.942 275 HB2 HIS 36 HB2 HIS 36 2.285 -14.170 -4.740 276 HB3 HIS 36 HB1 HIS 36 2.467 -15.918 -4.680 277 HD2 HIS 36 HD2 HIS 36 0.709 -13.194 -6.854 278 HE1 HIS 36 HE1 HIS 36 0.807 -16.852 -8.971 279 HE2 HIS 36 HE2 HIS 36 0.467 -14.352 -9.161 280 HA PRO 37 HA PRO 37 1.149 -15.107 0.435 281 HB2 PRO 37 HB2 PRO 37 0.736 -18.051 0.505 282 HB3 PRO 37 HB1 PRO 37 0.127 -16.804 1.596 283 HG2 PRO 37 HG2 PRO 37 -1.487 -17.952 -0.176 284 HG3 PRO 37 HG1 PRO 37 -1.609 -16.217 0.172 285 HD2 PRO 37 HD2 PRO 37 -0.394 -17.597 -2.184 286 HD3 PRO 37 HD1 PRO 37 -1.329 -16.092 -2.117 287 H ASP 38 HN ASP 38 2.448 -17.393 -1.863 288 HA ASP 38 HA ASP 38 4.814 -17.896 -0.256 289 HB2 ASP 38 HB2 ASP 38 4.051 -19.752 -1.564 290 HB3 ASP 38 HB1 ASP 38 4.004 -18.778 -3.026 291 H GLY 39 HN GLY 39 3.787 -15.826 -2.836 292 HA2 GLY 39 HA2 GLY 39 6.565 -14.991 -3.327 293 HA3 GLY 39 HA1 GLY 39 5.231 -14.764 -4.448 294 H ARG 40 HN ARG 40 3.928 -12.980 -4.266 295 HA ARG 40 HA ARG 40 4.359 -11.147 -2.054 296 HB2 ARG 40 HB2 ARG 40 4.868 -9.263 -3.567 297 HB3 ARG 40 HB1 ARG 40 6.109 -10.507 -3.602 298 HG2 ARG 40 HG2 ARG 40 5.217 -11.361 -5.698 299 HG3 ARG 40 HG1 ARG 40 3.939 -10.146 -5.655 300 HD2 ARG 40 HD2 ARG 40 5.779 -9.497 -7.142 301 HD3 ARG 40 HD1 ARG 40 5.580 -8.371 -5.800 302 HE ARG 40 HE ARG 40 7.513 -10.409 -5.248 303 HH11 ARG 40 HH11 ARG 40 7.031 -7.353 -6.872 304 HH12 ARG 40 HH12 ARG 40 8.688 -6.870 -6.739 305 HH21 ARG 40 HH21 ARG 40 9.711 -9.779 -5.082 306 HH22 ARG 40 HH22 ARG 40 10.212 -8.254 -5.739 307 H TRP 41 HN TRP 41 2.935 -9.230 -2.241 308 HA TRP 41 HA TRP 41 0.383 -9.901 -3.548 309 HB2 TRP 41 HB2 TRP 41 0.768 -8.543 -0.873 310 HB3 TRP 41 HB1 TRP 41 -0.771 -8.905 -1.637 311 HD1 TRP 41 HD1 TRP 41 0.316 -11.979 -2.440 312 HE1 TRP 41 HE1 TRP 41 0.202 -13.729 -0.558 313 HE3 TRP 41 HE3 TRP 41 0.040 -8.828 1.562 314 HZ2 TRP 41 HZ2 TRP 41 0.014 -13.756 2.267 315 HZ3 TRP 41 HZ3 TRP 41 -0.112 -9.782 3.816 316 HH2 TRP 41 HH2 TRP 41 -0.127 -12.199 4.162 317 H LYS 42 HN LYS 42 -1.027 -7.976 -3.809 318 HA LYS 42 HA LYS 42 0.542 -5.576 -4.437 319 HB2 LYS 42 HB2 LYS 42 -2.293 -6.209 -5.274 320 HB3 LYS 42 HB1 LYS 42 -1.291 -4.888 -5.852 321 HG2 LYS 42 HG2 LYS 42 0.197 -6.479 -6.941 322 HG3 LYS 42 HG1 LYS 42 -0.790 -7.815 -6.342 323 HD2 LYS 42 HD2 LYS 42 -2.726 -6.890 -7.573 324 HD3 LYS 42 HD1 LYS 42 -1.679 -5.629 -8.224 325 HE2 LYS 42 HE2 LYS 42 -0.286 -7.343 -9.280 326 HE3 LYS 42 HE1 LYS 42 -1.345 -8.595 -8.634 327 HZ1 LYS 42 HZ1 LYS 42 -1.847 -8.075 -10.944 328 HZ2 LYS 42 HZ2 LYS 42 -2.170 -6.466 -10.531 329 HZ3 LYS 42 HZ3 LYS 42 -3.156 -7.706 -9.939 330 H GLY 43 HN GLY 43 0.151 -3.714 -3.384 331 HA2 GLY 43 HA2 GLY 43 -2.059 -3.719 -1.435 332 HA3 GLY 43 HA1 GLY 43 -0.497 -2.984 -1.110 333 H CYS 44 HN CYS 44 -3.418 -2.045 -1.431 334 HA CYS 44 HA CYS 44 -2.930 0.059 -3.420 335 HB2 CYS 44 HB2 CYS 44 -5.510 -0.650 -2.007 336 HB3 CYS 44 HB1 CYS 44 -5.324 0.439 -3.377 337 HG CYS 44 HG CYS 44 -5.348 -1.342 -5.268 338 H ILE 45 HN ILE 45 -2.965 2.193 -2.849 339 HA ILE 45 HA ILE 45 -2.760 2.722 0.035 340 HB ILE 45 HB ILE 45 -1.833 4.418 -2.292 341 HG12 ILE 45 HG12 ILE 45 -0.536 2.327 -2.041 342 HG13 ILE 45 HG11 ILE 45 0.428 3.756 -1.688 343 HG21 ILE 45 HG21 ILE 45 -2.398 5.755 -0.339 344 HG22 ILE 45 HG22 ILE 45 -0.657 5.745 -0.610 345 HG23 ILE 45 HG23 ILE 45 -1.354 4.747 0.667 346 HD11 ILE 45 HD11 ILE 45 0.923 2.039 -0.094 347 HD12 ILE 45 HD12 ILE 45 -0.784 1.864 0.308 348 HD13 ILE 45 HD13 ILE 45 0.071 3.351 0.719 349 H HIS 46 HN HIS 46 -4.419 3.714 0.983 350 HA HIS 46 HA HIS 46 -6.256 5.259 -0.717 351 HB2 HIS 46 HB2 HIS 46 -7.306 3.457 0.614 352 HB3 HIS 46 HB1 HIS 46 -6.671 4.181 2.088 353 HD2 HIS 46 HD2 HIS 46 -7.975 6.494 2.962 354 HE1 HIS 46 HE1 HIS 46 -11.155 6.159 0.195 355 HE2 HIS 46 HE2 HIS 46 -10.231 7.481 2.147 356 H ASP 47 HN ASP 47 -5.513 7.241 -0.842 357 HA ASP 47 HA ASP 47 -4.078 8.498 1.287 358 HB2 ASP 47 HB2 ASP 47 -3.357 9.134 -0.845 359 HB3 ASP 47 HB1 ASP 47 -5.000 9.361 -1.433 360 H ASN 48 HN ASN 48 -4.867 9.592 2.909 361 HA ASN 48 HA ASN 48 -7.731 10.106 3.005 362 HB2 ASN 48 HB2 ASN 48 -5.598 10.164 5.145 363 HB3 ASN 48 HB1 ASN 48 -7.291 10.542 5.434 364 HD21 ASN 48 HD21 ASN 48 -5.013 8.022 4.625 365 HD22 ASN 48 HD22 ASN 48 -6.066 6.697 4.976 366 H ARG 49 HN ARG 49 -5.183 11.770 1.914 367 HA ARG 49 HA ARG 49 -5.807 14.340 3.101 368 HB2 ARG 49 HB2 ARG 49 -3.956 13.581 0.837 369 HB3 ARG 49 HB1 ARG 49 -4.129 15.208 1.474 370 HG2 ARG 49 HG2 ARG 49 -3.305 14.481 3.632 371 HG3 ARG 49 HG1 ARG 49 -3.195 12.818 3.050 372 HD2 ARG 49 HD2 ARG 49 -1.536 13.475 1.408 373 HD3 ARG 49 HD1 ARG 49 -1.688 15.163 1.900 374 HE ARG 49 HE ARG 49 -1.005 13.632 4.147 375 HH11 ARG 49 HH11 ARG 49 0.395 14.669 1.110 376 HH12 ARG 49 HH12 ARG 49 2.018 14.692 1.724 377 HH21 ARG 49 HH21 ARG 49 1.133 13.651 4.951 378 HH22 ARG 49 HH22 ARG 49 2.438 14.113 3.905 379 H THR 50 HN THR 50 -5.724 13.174 -0.267 380 HA THR 50 HA THR 50 -7.923 15.040 -0.861 381 HB THR 50 HB THR 50 -5.967 13.780 -2.789 382 HG1 THR 50 HG1 THR 50 -6.047 16.424 -1.712 383 HG21 THR 50 HG21 THR 50 -8.104 14.399 -3.820 384 HG22 THR 50 HG22 THR 50 -6.806 15.457 -4.369 385 HG23 THR 50 HG23 THR 50 -7.955 16.028 -3.161 386 H GLY 51 HN GLY 51 -6.812 11.732 -1.183 387 HA2 GLY 51 HA2 GLY 51 -8.560 9.991 -1.100 388 HA3 GLY 51 HA1 GLY 51 -9.488 10.998 -2.205 389 H ASN 52 HN ASN 52 -6.050 10.377 -2.356 390 HA ASN 52 HA ASN 52 -6.278 9.541 -5.101 391 HB2 ASN 52 HB2 ASN 52 -3.891 9.838 -3.271 392 HB3 ASN 52 HB1 ASN 52 -3.785 9.403 -4.971 393 HD21 ASN 52 HD21 ASN 52 -4.416 11.940 -2.688 394 HD22 ASN 52 HD22 ASN 52 -4.395 13.235 -3.842 395 H ASP 53 HN ASP 53 -5.661 7.538 -5.944 396 HA ASP 53 HA ASP 53 -5.483 5.344 -3.983 397 HB2 ASP 53 HB2 ASP 53 -6.947 5.423 -6.623 398 HB3 ASP 53 HB1 ASP 53 -6.586 3.928 -5.776 399 H ARG 54 HN ARG 54 -3.489 4.543 -4.037 400 HA ARG 54 HA ARG 54 -2.187 4.252 -6.670 401 HB2 ARG 54 HB2 ARG 54 -0.868 4.507 -3.961 402 HB3 ARG 54 HB1 ARG 54 -0.024 4.229 -5.471 403 HG2 ARG 54 HG2 ARG 54 0.275 6.473 -5.230 404 HG3 ARG 54 HG1 ARG 54 -1.211 6.457 -6.181 405 HD2 ARG 54 HD2 ARG 54 -2.543 6.860 -4.252 406 HD3 ARG 54 HD1 ARG 54 -1.176 6.582 -3.173 407 HE ARG 54 HE ARG 54 -1.573 8.935 -4.894 408 HH11 ARG 54 HH11 ARG 54 0.128 7.330 -2.286 409 HH12 ARG 54 HH12 ARG 54 0.937 8.767 -1.752 410 HH21 ARG 54 HH21 ARG 54 -0.545 10.845 -4.157 411 HH22 ARG 54 HH22 ARG 54 0.534 10.767 -2.799 412 H VAL 55 HN VAL 55 -0.670 2.356 -6.779 413 HA VAL 55 HA VAL 55 -1.385 0.168 -4.986 414 HB VAL 55 HB VAL 55 -2.937 -0.063 -6.857 415 HG11 VAL 55 HG11 VAL 55 -1.719 1.093 -8.585 416 HG12 VAL 55 HG12 VAL 55 -2.120 -0.538 -9.126 417 HG13 VAL 55 HG13 VAL 55 -0.481 -0.164 -8.592 418 HG21 VAL 55 HG21 VAL 55 -2.123 -2.098 -5.804 419 HG22 VAL 55 HG22 VAL 55 -0.754 -2.142 -6.915 420 HG23 VAL 55 HG23 VAL 55 -2.393 -2.359 -7.529 421 H GLY 56 HN GLY 56 0.258 -1.242 -4.606 422 HA2 GLY 56 HA2 GLY 56 2.649 -1.132 -6.300 423 HA3 GLY 56 HA1 GLY 56 2.830 -0.698 -4.609 424 H TYR 57 HN TYR 57 4.279 -2.799 -5.625 425 HA TYR 57 HA TYR 57 2.858 -5.203 -4.702 426 HB2 TYR 57 HB2 TYR 57 5.404 -4.906 -6.313 427 HB3 TYR 57 HB1 TYR 57 4.743 -6.442 -5.773 428 HD1 TYR 57 HD1 TYR 57 3.159 -7.576 -7.080 429 HD2 TYR 57 HD2 TYR 57 3.969 -3.476 -7.871 430 HE1 TYR 57 HE1 TYR 57 1.790 -7.703 -9.116 431 HE2 TYR 57 HE2 TYR 57 2.604 -3.595 -9.912 432 HH TYR 57 HH TYR 57 0.592 -6.309 -10.617 433 H PHE 58 HN PHE 58 3.610 -6.400 -2.992 434 HA PHE 58 HA PHE 58 6.254 -5.859 -1.908 435 HB2 PHE 58 HB2 PHE 58 5.550 -5.298 0.313 436 HB3 PHE 58 HB1 PHE 58 4.706 -4.211 -0.782 437 HD1 PHE 58 HD1 PHE 58 2.324 -5.002 -1.522 438 HD2 PHE 58 HD2 PHE 58 4.353 -6.386 1.955 439 HE1 PHE 58 HE1 PHE 58 0.174 -5.658 -0.531 440 HE2 PHE 58 HE2 PHE 58 2.205 -7.043 2.950 441 HZ PHE 58 HZ PHE 58 0.130 -6.734 1.707 442 HA PRO 59 HA PRO 59 6.242 -10.214 -1.236 443 HB2 PRO 59 HB2 PRO 59 7.434 -9.617 1.430 444 HB3 PRO 59 HB1 PRO 59 7.997 -10.713 0.163 445 HG2 PRO 59 HG2 PRO 59 9.195 -8.371 0.532 446 HG3 PRO 59 HG1 PRO 59 8.910 -8.991 -1.105 447 HD2 PRO 59 HD2 PRO 59 7.450 -6.859 0.394 448 HD3 PRO 59 HD1 PRO 59 7.860 -6.947 -1.329 449 H SER 60 HN SER 60 5.868 -8.946 2.078 450 HA SER 60 HA SER 60 3.121 -9.441 2.336 451 HB2 SER 60 HB2 SER 60 3.352 -11.493 3.861 452 HB3 SER 60 HB1 SER 60 3.490 -11.765 2.125 453 HG SER 60 HG SER 60 5.266 -12.743 2.742 454 H SER 61 HN SER 61 2.335 -8.946 4.403 455 HA SER 61 HA SER 61 2.283 -7.956 6.440 456 HB2 SER 61 HB2 SER 61 3.377 -10.128 7.020 457 HB3 SER 61 HB1 SER 61 4.942 -9.336 6.858 458 HG SER 61 HG SER 61 4.661 -8.387 8.724 459 H LEU 62 HN LEU 62 2.550 -5.879 5.339 460 HA LEU 62 HA LEU 62 5.196 -4.672 5.643 461 HB2 LEU 62 HB2 LEU 62 4.077 -4.458 3.465 462 HB3 LEU 62 HB1 LEU 62 2.736 -3.636 4.239 463 HG LEU 62 HG LEU 62 4.258 -1.794 4.881 464 HD11 LEU 62 HD11 LEU 62 6.350 -3.023 4.965 465 HD12 LEU 62 HD12 LEU 62 6.477 -1.666 3.845 466 HD13 LEU 62 HD13 LEU 62 6.273 -3.306 3.226 467 HD21 LEU 62 HD21 LEU 62 2.938 -1.638 2.844 468 HD22 LEU 62 HD22 LEU 62 4.216 -2.449 1.939 469 HD23 LEU 62 HD23 LEU 62 4.505 -0.854 2.636 470 H GLY 63 HN GLY 63 1.795 -3.976 6.393 471 HA2 GLY 63 HA2 GLY 63 2.736 -2.252 8.594 472 HA3 GLY 63 HA1 GLY 63 1.303 -1.889 7.643 473 H GLU 64 HN GLU 64 0.773 -1.876 10.163 474 HA GLU 64 HA GLU 64 0.190 -4.444 11.287 475 HB2 GLU 64 HB2 GLU 64 -0.742 -1.680 12.078 476 HB3 GLU 64 HB1 GLU 64 -1.082 -3.138 12.996 477 HG2 GLU 64 HG2 GLU 64 0.729 -2.142 14.083 478 HG3 GLU 64 HG1 GLU 64 1.432 -3.454 13.142 479 H ALA 65 HN ALA 65 -1.487 -5.698 10.888 480 HA ALA 65 HA ALA 65 -3.444 -4.860 8.957 481 HB1 ALA 65 HB1 ALA 65 -4.177 -7.153 8.964 482 HB2 ALA 65 HB2 ALA 65 -3.249 -7.481 10.427 483 HB3 ALA 65 HB3 ALA 65 -2.414 -7.105 8.921 484 H ILE 66 HN ILE 66 -4.590 -3.269 10.068 485 HA ILE 66 HA ILE 66 -6.107 -3.936 12.424 486 HB ILE 66 HB ILE 66 -7.191 -1.730 12.093 487 HG12 ILE 66 HG12 ILE 66 -5.327 -1.493 9.718 488 HG13 ILE 66 HG11 ILE 66 -7.072 -1.702 9.614 489 HG21 ILE 66 HG21 ILE 66 -5.175 -1.897 13.423 490 HG22 ILE 66 HG22 ILE 66 -5.168 -0.387 12.511 491 HG23 ILE 66 HG23 ILE 66 -4.179 -1.746 11.976 492 HD11 ILE 66 HD11 ILE 66 -6.392 0.616 9.272 493 HD12 ILE 66 HD12 ILE 66 -5.672 0.637 10.885 494 HD13 ILE 66 HD13 ILE 66 -7.413 0.435 10.698 495 H VAL 67 HN VAL 67 -6.510 -4.165 9.028 496 HA VAL 67 HA VAL 67 -8.108 -5.057 7.704 497 HB VAL 67 HB VAL 67 -9.382 -6.027 10.264 498 HG11 VAL 67 HG11 VAL 67 -9.757 -6.901 7.400 499 HG12 VAL 67 HG12 VAL 67 -10.945 -6.077 8.410 500 HG13 VAL 67 HG13 VAL 67 -10.435 -7.716 8.809 501 HG21 VAL 67 HG21 VAL 67 -7.425 -7.373 8.403 502 HG22 VAL 67 HG22 VAL 67 -8.233 -8.146 9.766 503 HG23 VAL 67 HG23 VAL 67 -7.097 -6.827 10.048 Start of MODEL 26 1 H1 GLY 1 HT1 GLY 1 -4.687 -11.505 9.879 2 H2 GLY 1 HT2 GLY 1 -3.740 -12.339 8.753 3 H3 GLY 1 HT3 GLY 1 -5.291 -12.892 9.127 4 HA2 GLY 1 HA1 GLY 1 -6.275 -10.922 8.164 5 HA3 GLY 1 HA2 GLY 1 -4.665 -10.322 7.800 6 H SER 2 HN SER 2 -7.292 -11.888 6.549 7 HA SER 2 HA SER 2 -5.841 -12.501 4.120 8 HB2 SER 2 HB2 SER 2 -7.466 -14.623 5.554 9 HB3 SER 2 HB1 SER 2 -6.814 -14.777 3.923 10 HG SER 2 HG SER 2 -4.871 -14.029 5.628 11 H HIS 3 HN HIS 3 -7.550 -13.275 2.402 12 HA HIS 3 HA HIS 3 -9.286 -12.589 1.099 13 HB2 HIS 3 HB2 HIS 3 -10.751 -12.677 3.744 14 HB3 HIS 3 HB1 HIS 3 -11.525 -12.584 2.168 15 HD2 HIS 3 HD2 HIS 3 -10.434 -14.917 0.496 16 HE1 HIS 3 HE1 HIS 3 -10.816 -17.342 3.941 17 HE2 HIS 3 HE2 HIS 3 -10.761 -17.324 1.409 18 H MET 4 HN MET 4 -7.746 -10.569 1.348 19 HA MET 4 HA MET 4 -7.533 -8.321 1.236 20 HB2 MET 4 HB2 MET 4 -10.532 -8.414 1.461 21 HB3 MET 4 HB1 MET 4 -9.643 -6.899 1.364 22 HG2 MET 4 HG2 MET 4 -8.705 -7.592 -0.784 23 HG3 MET 4 HG1 MET 4 -9.618 -9.097 -0.689 24 HE1 MET 4 HE1 MET 4 -11.349 -6.924 -3.518 25 HE2 MET 4 HE2 MET 4 -10.489 -8.424 -3.174 26 HE3 MET 4 HE3 MET 4 -9.641 -6.882 -3.083 27 H LEU 5 HN LEU 5 -6.840 -6.851 2.639 28 HA LEU 5 HA LEU 5 -8.079 -6.547 5.233 29 HB2 LEU 5 HB2 LEU 5 -5.949 -6.974 6.459 30 HB3 LEU 5 HB1 LEU 5 -6.675 -8.410 5.768 31 HG LEU 5 HG LEU 5 -4.529 -7.004 4.233 32 HD11 LEU 5 HD11 LEU 5 -3.601 -7.175 6.472 33 HD12 LEU 5 HD12 LEU 5 -2.833 -8.339 5.393 34 HD13 LEU 5 HD13 LEU 5 -4.054 -8.878 6.546 35 HD21 LEU 5 HD21 LEU 5 -5.694 -8.860 3.183 36 HD22 LEU 5 HD22 LEU 5 -5.328 -9.895 4.563 37 HD23 LEU 5 HD23 LEU 5 -4.022 -9.308 3.534 38 H GLN 6 HN GLN 6 -7.332 -4.678 6.349 39 HA GLN 6 HA GLN 6 -5.952 -2.786 4.584 40 HB2 GLN 6 HB2 GLN 6 -8.208 -2.150 5.386 41 HB3 GLN 6 HB1 GLN 6 -7.631 -2.257 7.041 42 HG2 GLN 6 HG2 GLN 6 -6.050 -0.453 6.614 43 HG3 GLN 6 HG1 GLN 6 -6.621 -0.347 4.949 44 HE21 GLN 6 HE21 GLN 6 -7.374 0.291 8.282 45 HE22 GLN 6 HE22 GLN 6 -8.733 1.316 7.987 46 H VAL 7 HN VAL 7 -3.942 -2.252 5.024 47 HA VAL 7 HA VAL 7 -2.934 -2.726 7.748 48 HB VAL 7 HB VAL 7 -0.742 -3.227 6.835 49 HG11 VAL 7 HG11 VAL 7 -2.186 -5.123 7.101 50 HG12 VAL 7 HG12 VAL 7 -1.254 -5.332 5.621 51 HG13 VAL 7 HG13 VAL 7 -2.941 -4.827 5.537 52 HG21 VAL 7 HG21 VAL 7 -1.987 -2.840 4.116 53 HG22 VAL 7 HG22 VAL 7 -0.369 -3.472 4.423 54 HG23 VAL 7 HG23 VAL 7 -0.765 -1.812 4.870 55 H ARG 8 HN ARG 8 -1.514 -1.221 8.606 56 HA ARG 8 HA ARG 8 -1.170 1.264 7.056 57 HB2 ARG 8 HB2 ARG 8 -1.551 0.975 10.044 58 HB3 ARG 8 HB1 ARG 8 -1.143 2.475 9.228 59 HG2 ARG 8 HG2 ARG 8 -3.278 2.226 7.927 60 HG3 ARG 8 HG1 ARG 8 -3.691 0.898 9.015 61 HD2 ARG 8 HD2 ARG 8 -4.718 2.953 9.787 62 HD3 ARG 8 HD1 ARG 8 -3.480 2.432 10.928 63 HE ARG 8 HE ARG 8 -2.380 4.241 9.050 64 HH11 ARG 8 HH11 ARG 8 -4.497 4.171 11.843 65 HH12 ARG 8 HH12 ARG 8 -4.112 5.792 12.325 66 HH21 ARG 8 HH21 ARG 8 -1.884 6.376 9.680 67 HH22 ARG 8 HH22 ARG 8 -2.627 7.043 11.104 68 H ALA 9 HN ALA 9 0.884 1.684 6.610 69 HA ALA 9 HA ALA 9 2.948 0.422 8.291 70 HB1 ALA 9 HB1 ALA 9 2.852 -0.504 6.020 71 HB2 ALA 9 HB2 ALA 9 4.371 0.339 6.320 72 HB3 ALA 9 HB3 ALA 9 3.109 1.110 5.361 73 H THR 10 HN THR 10 4.508 1.704 9.147 74 HA THR 10 HA THR 10 4.455 4.532 8.368 75 HB THR 10 HB THR 10 5.787 3.309 10.795 76 HG1 THR 10 HG1 THR 10 3.430 3.136 10.769 77 HG21 THR 10 HG21 THR 10 5.108 6.165 10.080 78 HG22 THR 10 HG22 THR 10 6.722 5.458 10.119 79 HG23 THR 10 HG23 THR 10 5.800 5.632 11.610 80 H LYS 11 HN LYS 11 5.731 4.689 6.656 81 HA LYS 11 HA LYS 11 8.549 4.474 6.900 82 HB2 LYS 11 HB2 LYS 11 7.825 2.065 6.520 83 HB3 LYS 11 HB1 LYS 11 7.232 2.567 4.945 84 HG2 LYS 11 HG2 LYS 11 9.488 3.220 4.295 85 HG3 LYS 11 HG1 LYS 11 10.085 2.748 5.887 86 HD2 LYS 11 HD2 LYS 11 9.299 0.447 5.454 87 HD3 LYS 11 HD1 LYS 11 8.806 0.944 3.836 88 HE2 LYS 11 HE2 LYS 11 10.963 -0.146 3.740 89 HE3 LYS 11 HE1 LYS 11 11.141 1.561 3.345 90 HZ1 LYS 11 HZ1 LYS 11 11.949 1.971 5.568 91 HZ2 LYS 11 HZ2 LYS 11 12.877 0.757 4.848 92 HZ3 LYS 11 HZ3 LYS 11 11.711 0.355 5.998 93 H ASP 12 HN ASP 12 9.571 5.225 4.830 94 HA ASP 12 HA ASP 12 7.707 6.805 3.218 95 HB2 ASP 12 HB2 ASP 12 9.754 7.945 2.360 96 HB3 ASP 12 HB1 ASP 12 9.557 8.093 4.102 97 H TYR 13 HN TYR 13 7.337 4.282 2.677 98 HA TYR 13 HA TYR 13 9.125 3.062 0.845 99 HB2 TYR 13 HB2 TYR 13 7.340 1.957 2.318 100 HB3 TYR 13 HB1 TYR 13 6.186 2.454 1.092 101 HD1 TYR 13 HD1 TYR 13 8.914 0.172 1.903 102 HD2 TYR 13 HD2 TYR 13 6.170 1.392 -1.110 103 HE1 TYR 13 HE1 TYR 13 9.370 -1.898 0.657 104 HE2 TYR 13 HE2 TYR 13 6.621 -0.672 -2.367 105 HH TYR 13 HH TYR 13 8.359 -2.368 -2.566 106 H CYS 14 HN CYS 14 9.339 3.337 -1.267 107 HA CYS 14 HA CYS 14 9.066 4.029 -3.395 108 HB2 CYS 14 HB2 CYS 14 7.049 2.687 -3.413 109 HB3 CYS 14 HB1 CYS 14 6.131 3.992 -2.677 110 HG CYS 14 HG CYS 14 5.193 4.523 -5.030 111 H ASN 15 HN ASN 15 6.252 5.857 -2.325 112 HA ASN 15 HA ASN 15 5.735 8.059 -2.538 113 HB2 ASN 15 HB2 ASN 15 8.471 8.153 -1.299 114 HB3 ASN 15 HB1 ASN 15 7.594 9.634 -1.663 115 HD21 ASN 15 HD21 ASN 15 7.595 6.702 0.214 116 HD22 ASN 15 HD22 ASN 15 6.448 7.226 1.400 117 H ASN 16 HN ASN 16 6.340 7.023 -4.942 118 HA ASN 16 HA ASN 16 7.919 9.155 -6.212 119 HB2 ASN 16 HB2 ASN 16 8.965 6.868 -6.343 120 HB3 ASN 16 HB1 ASN 16 7.574 6.353 -7.296 121 HD21 ASN 16 HD21 ASN 16 8.974 5.884 -9.045 122 HD22 ASN 16 HD22 ASN 16 9.619 7.148 -10.037 123 H TYR 17 HN TYR 17 7.249 9.623 -8.473 124 HA TYR 17 HA TYR 17 4.466 10.229 -8.413 125 HB2 TYR 17 HB2 TYR 17 6.446 10.642 -10.662 126 HB3 TYR 17 HB1 TYR 17 4.888 11.442 -10.475 127 HD1 TYR 17 HD1 TYR 17 4.579 13.189 -8.791 128 HD2 TYR 17 HD2 TYR 17 8.350 11.286 -9.303 129 HE1 TYR 17 HE1 TYR 17 5.645 14.950 -7.448 130 HE2 TYR 17 HE2 TYR 17 9.427 13.045 -7.964 131 HH TYR 17 HH TYR 17 9.016 15.370 -7.298 132 H ASP 18 HN ASP 18 6.190 8.789 -11.189 133 HA ASP 18 HA ASP 18 3.857 7.039 -11.537 134 HB2 ASP 18 HB2 ASP 18 5.903 8.042 -13.506 135 HB3 ASP 18 HB1 ASP 18 4.825 6.701 -13.873 136 H LEU 19 HN LEU 19 4.233 5.254 -10.433 137 HA LEU 19 HA LEU 19 6.225 3.409 -11.297 138 HB2 LEU 19 HB2 LEU 19 7.531 4.927 -9.773 139 HB3 LEU 19 HB1 LEU 19 6.459 4.460 -8.471 140 HG LEU 19 HG LEU 19 7.215 2.093 -8.785 141 HD11 LEU 19 HD11 LEU 19 9.276 1.702 -10.033 142 HD12 LEU 19 HD12 LEU 19 9.262 3.375 -10.587 143 HD13 LEU 19 HD13 LEU 19 7.983 2.270 -11.089 144 HD21 LEU 19 HD21 LEU 19 9.303 4.161 -8.121 145 HD22 LEU 19 HD22 LEU 19 9.411 2.447 -7.718 146 HD23 LEU 19 HD23 LEU 19 8.138 3.440 -7.009 147 H THR 20 HN THR 20 5.820 1.286 -10.359 148 HA THR 20 HA THR 20 3.216 1.158 -9.005 149 HB THR 20 HB THR 20 4.730 -1.124 -10.285 150 HG1 THR 20 HG1 THR 20 3.653 0.912 -11.511 151 HG21 THR 20 HG21 THR 20 1.837 -0.812 -9.472 152 HG22 THR 20 HG22 THR 20 3.042 -1.813 -8.661 153 HG23 THR 20 HG23 THR 20 2.519 -2.209 -10.299 154 H SER 21 HN SER 21 3.651 1.424 -6.931 155 HA SER 21 HA SER 21 4.856 -0.662 -5.415 156 HB2 SER 21 HB2 SER 21 6.244 2.041 -5.487 157 HB3 SER 21 HB1 SER 21 6.568 0.780 -4.301 158 HG SER 21 HG SER 21 6.729 -0.081 -6.908 159 H LEU 22 HN LEU 22 4.576 -0.164 -3.063 160 HA LEU 22 HA LEU 22 2.126 1.230 -2.614 161 HB2 LEU 22 HB2 LEU 22 4.107 -0.010 -0.705 162 HB3 LEU 22 HB1 LEU 22 2.606 0.731 -0.193 163 HG LEU 22 HG LEU 22 2.211 -1.588 -0.210 164 HD11 LEU 22 HD11 LEU 22 0.427 -0.243 -1.206 165 HD12 LEU 22 HD12 LEU 22 0.482 -1.875 -1.873 166 HD13 LEU 22 HD13 LEU 22 1.122 -0.522 -2.804 167 HD21 LEU 22 HD21 LEU 22 3.346 -1.698 -2.999 168 HD22 LEU 22 HD22 LEU 22 2.686 -3.053 -2.083 169 HD23 LEU 22 HD23 LEU 22 4.160 -2.252 -1.535 170 H ASN 23 HN ASN 23 2.160 3.391 -2.791 171 HA ASN 23 HA ASN 23 4.383 4.999 -1.998 172 HB2 ASN 23 HB2 ASN 23 1.562 5.664 -2.821 173 HB3 ASN 23 HB1 ASN 23 2.679 6.906 -2.269 174 HD21 ASN 23 HD21 ASN 23 2.819 7.981 -4.186 175 HD22 ASN 23 HD22 ASN 23 3.559 7.314 -5.601 176 H VAL 24 HN VAL 24 4.436 3.886 0.137 177 HA VAL 24 HA VAL 24 2.469 4.655 2.096 178 HB VAL 24 HB VAL 24 5.185 3.422 2.562 179 HG11 VAL 24 HG11 VAL 24 4.250 2.661 4.659 180 HG12 VAL 24 HG12 VAL 24 2.699 3.396 4.262 181 HG13 VAL 24 HG13 VAL 24 4.113 4.416 4.534 182 HG21 VAL 24 HG21 VAL 24 2.530 2.084 2.051 183 HG22 VAL 24 HG22 VAL 24 3.970 1.260 2.649 184 HG23 VAL 24 HG23 VAL 24 3.977 1.997 1.047 185 H LYS 25 HN LYS 25 2.426 6.656 2.867 186 HA LYS 25 HA LYS 25 4.994 7.992 3.327 187 HB2 LYS 25 HB2 LYS 25 3.562 10.129 3.252 188 HB3 LYS 25 HB1 LYS 25 3.954 9.326 1.742 189 HG2 LYS 25 HG2 LYS 25 1.703 8.240 1.830 190 HG3 LYS 25 HG1 LYS 25 1.332 9.270 3.217 191 HD2 LYS 25 HD2 LYS 25 1.695 11.258 1.874 192 HD3 LYS 25 HD1 LYS 25 2.182 10.270 0.499 193 HE2 LYS 25 HE2 LYS 25 -0.072 10.979 0.148 194 HE3 LYS 25 HE1 LYS 25 -0.090 9.254 0.507 195 HZ1 LYS 25 HZ1 LYS 25 -0.538 11.277 2.611 196 HZ2 LYS 25 HZ2 LYS 25 -0.941 9.628 2.628 197 HZ3 LYS 25 HZ3 LYS 25 -1.801 10.711 1.638 198 H ALA 26 HN ALA 26 5.051 6.796 5.280 199 HA ALA 26 HA ALA 26 5.004 6.649 7.536 200 HB1 ALA 26 HB1 ALA 26 4.378 9.582 7.310 201 HB2 ALA 26 HB2 ALA 26 5.981 8.851 7.300 202 HB3 ALA 26 HB3 ALA 26 4.981 8.762 8.747 203 H GLY 27 HN GLY 27 3.131 5.267 7.574 204 HA2 GLY 27 HA2 GLY 27 1.381 4.662 8.967 205 HA3 GLY 27 HA1 GLY 27 1.244 6.340 9.474 206 H ASP 28 HN ASP 28 1.173 5.276 6.139 207 HA ASP 28 HA ASP 28 -1.382 6.613 5.835 208 HB2 ASP 28 HB2 ASP 28 0.718 6.697 4.248 209 HB3 ASP 28 HB1 ASP 28 0.008 5.235 3.572 210 H ILE 29 HN ILE 29 -2.728 5.336 3.929 211 HA ILE 29 HA ILE 29 -3.567 2.928 5.407 212 HB ILE 29 HB ILE 29 -5.179 4.682 3.551 213 HG12 ILE 29 HG12 ILE 29 -4.604 5.853 5.620 214 HG13 ILE 29 HG11 ILE 29 -6.319 5.459 5.586 215 HG21 ILE 29 HG21 ILE 29 -7.110 3.434 4.340 216 HG22 ILE 29 HG22 ILE 29 -6.067 2.429 5.345 217 HG23 ILE 29 HG23 ILE 29 -5.935 2.354 3.587 218 HD11 ILE 29 HD11 ILE 29 -5.383 5.089 7.786 219 HD12 ILE 29 HD12 ILE 29 -4.191 3.979 7.112 220 HD13 ILE 29 HD13 ILE 29 -5.906 3.564 7.074 221 H ILE 30 HN ILE 30 -3.023 1.071 4.476 222 HA ILE 30 HA ILE 30 -3.021 0.950 1.528 223 HB ILE 30 HB ILE 30 -1.614 -1.029 3.294 224 HG12 ILE 30 HG12 ILE 30 -0.387 1.490 2.154 225 HG13 ILE 30 HG11 ILE 30 -0.797 1.261 3.851 226 HG21 ILE 30 HG21 ILE 30 -1.177 -0.140 0.449 227 HG22 ILE 30 HG22 ILE 30 -1.978 -1.626 0.957 228 HG23 ILE 30 HG23 ILE 30 -0.263 -1.391 1.290 229 HD11 ILE 30 HD11 ILE 30 1.557 0.902 3.510 230 HD12 ILE 30 HD12 ILE 30 1.225 -0.307 2.272 231 HD13 ILE 30 HD13 ILE 30 0.781 -0.620 3.950 232 H THR 31 HN THR 31 -4.531 -0.300 0.634 233 HA THR 31 HA THR 31 -5.880 -2.309 2.306 234 HB THR 31 HB THR 31 -6.794 -1.203 -0.361 235 HG1 THR 31 HG1 THR 31 -6.924 -0.186 2.194 236 HG21 THR 31 HG21 THR 31 -8.968 -2.125 0.300 237 HG22 THR 31 HG22 THR 31 -8.256 -2.747 1.789 238 HG23 THR 31 HG23 THR 31 -7.741 -3.390 0.229 239 H VAL 32 HN VAL 32 -4.979 -4.263 2.087 240 HA VAL 32 HA VAL 32 -3.794 -4.932 -0.527 241 HB VAL 32 HB VAL 32 -2.121 -6.248 0.585 242 HG11 VAL 32 HG11 VAL 32 -2.418 -3.570 1.934 243 HG12 VAL 32 HG12 VAL 32 -1.640 -3.879 0.381 244 HG13 VAL 32 HG13 VAL 32 -0.935 -4.523 1.862 245 HG21 VAL 32 HG21 VAL 32 -3.476 -5.525 3.181 246 HG22 VAL 32 HG22 VAL 32 -1.968 -6.421 3.015 247 HG23 VAL 32 HG23 VAL 32 -3.476 -7.116 2.419 248 H LEU 33 HN LEU 33 -3.657 -7.280 -0.975 249 HA LEU 33 HA LEU 33 -5.829 -8.756 0.317 250 HB2 LEU 33 HB2 LEU 33 -6.129 -9.959 -1.927 251 HB3 LEU 33 HB1 LEU 33 -6.840 -8.379 -1.716 252 HG LEU 33 HG LEU 33 -5.848 -8.823 -3.969 253 HD11 LEU 33 HD11 LEU 33 -6.262 -6.559 -3.226 254 HD12 LEU 33 HD12 LEU 33 -4.797 -6.640 -4.201 255 HD13 LEU 33 HD13 LEU 33 -4.683 -6.506 -2.446 256 HD21 LEU 33 HD21 LEU 33 -3.446 -8.682 -4.267 257 HD22 LEU 33 HD22 LEU 33 -3.875 -10.076 -3.278 258 HD23 LEU 33 HD23 LEU 33 -3.218 -8.626 -2.521 259 H GLU 34 HN GLU 34 -5.633 -11.035 0.321 260 HA GLU 34 HA GLU 34 -2.829 -11.878 0.516 261 HB2 GLU 34 HB2 GLU 34 -4.286 -11.908 2.568 262 HB3 GLU 34 HB1 GLU 34 -5.294 -13.108 1.777 263 HG2 GLU 34 HG2 GLU 34 -2.368 -13.521 2.315 264 HG3 GLU 34 HG1 GLU 34 -3.627 -13.961 3.463 265 H GLN 35 HN GLN 35 -2.165 -13.060 -1.156 266 HA GLN 35 HA GLN 35 -3.944 -15.062 -2.311 267 HB2 GLN 35 HB2 GLN 35 -2.732 -12.766 -3.819 268 HB3 GLN 35 HB1 GLN 35 -3.103 -14.281 -4.627 269 HG2 GLN 35 HG2 GLN 35 -5.436 -14.065 -4.024 270 HG3 GLN 35 HG1 GLN 35 -5.086 -12.587 -3.129 271 HE21 GLN 35 HE21 GLN 35 -6.517 -11.421 -4.397 272 HE22 GLN 35 HE22 GLN 35 -6.141 -10.961 -6.020 273 H HIS 36 HN HIS 36 -0.734 -13.573 -2.719 274 HA HIS 36 HA HIS 36 0.375 -16.294 -2.864 275 HB2 HIS 36 HB2 HIS 36 1.326 -13.833 -4.340 276 HB3 HIS 36 HB1 HIS 36 2.094 -15.414 -4.402 277 HD2 HIS 36 HD2 HIS 36 0.095 -17.445 -5.384 278 HE1 HIS 36 HE1 HIS 36 -1.541 -14.519 -7.962 279 HE2 HIS 36 HE2 HIS 36 -1.593 -16.961 -7.295 280 HA PRO 37 HA PRO 37 2.160 -14.015 0.763 281 HB2 PRO 37 HB2 PRO 37 2.254 -16.186 2.397 282 HB3 PRO 37 HB1 PRO 37 0.816 -15.172 2.224 283 HG2 PRO 37 HG2 PRO 37 1.459 -17.794 0.926 284 HG3 PRO 37 HG1 PRO 37 -0.066 -17.248 1.646 285 HD2 PRO 37 HD2 PRO 37 0.350 -17.234 -1.016 286 HD3 PRO 37 HD1 PRO 37 -0.645 -16.005 -0.209 287 H ASP 38 HN ASP 38 3.043 -16.888 -0.960 288 HA ASP 38 HA ASP 38 5.744 -16.844 0.156 289 HB2 ASP 38 HB2 ASP 38 4.434 -18.808 -1.735 290 HB3 ASP 38 HB1 ASP 38 6.066 -18.951 -1.099 291 H GLY 39 HN GLY 39 4.176 -15.174 -2.054 292 HA2 GLY 39 HA2 GLY 39 6.582 -14.884 -3.728 293 HA3 GLY 39 HA1 GLY 39 4.983 -14.929 -4.454 294 H ARG 40 HN ARG 40 3.663 -13.137 -4.347 295 HA ARG 40 HA ARG 40 4.520 -10.853 -2.775 296 HB2 ARG 40 HB2 ARG 40 4.468 -9.317 -4.682 297 HB3 ARG 40 HB1 ARG 40 5.704 -10.549 -4.896 298 HG2 ARG 40 HG2 ARG 40 4.333 -11.741 -6.457 299 HG3 ARG 40 HG1 ARG 40 2.970 -10.668 -6.145 300 HD2 ARG 40 HD2 ARG 40 4.039 -10.072 -8.234 301 HD3 ARG 40 HD1 ARG 40 4.262 -8.787 -7.049 302 HE ARG 40 HE ARG 40 6.482 -10.447 -6.890 303 HH11 ARG 40 HH11 ARG 40 4.987 -8.313 -9.230 304 HH12 ARG 40 HH12 ARG 40 6.477 -7.950 -10.038 305 HH21 ARG 40 HH21 ARG 40 8.445 -9.968 -7.944 306 HH22 ARG 40 HH22 ARG 40 8.454 -8.875 -9.289 307 H TRP 41 HN TRP 41 2.898 -9.443 -2.289 308 HA TRP 41 HA TRP 41 0.185 -10.183 -3.138 309 HB2 TRP 41 HB2 TRP 41 1.193 -8.605 -0.764 310 HB3 TRP 41 HB1 TRP 41 -0.505 -8.712 -1.200 311 HD1 TRP 41 HD1 TRP 41 0.782 -12.034 -1.852 312 HE1 TRP 41 HE1 TRP 41 0.370 -13.604 0.148 313 HE3 TRP 41 HE3 TRP 41 -0.361 -8.542 1.694 314 HZ2 TRP 41 HZ2 TRP 41 -0.339 -13.381 2.876 315 HZ3 TRP 41 HZ3 TRP 41 -0.902 -9.295 3.964 316 HH2 TRP 41 HH2 TRP 41 -0.895 -11.666 4.546 317 H LYS 42 HN LYS 42 -1.298 -8.339 -3.423 318 HA LYS 42 HA LYS 42 0.063 -5.994 -4.559 319 HB2 LYS 42 HB2 LYS 42 -1.252 -7.284 -6.204 320 HB3 LYS 42 HB1 LYS 42 -2.684 -7.099 -5.201 321 HG2 LYS 42 HG2 LYS 42 -2.539 -4.652 -5.510 322 HG3 LYS 42 HG1 LYS 42 -1.170 -4.902 -6.597 323 HD2 LYS 42 HD2 LYS 42 -3.934 -6.044 -7.004 324 HD3 LYS 42 HD1 LYS 42 -3.317 -4.590 -7.791 325 HE2 LYS 42 HE2 LYS 42 -1.553 -5.905 -8.849 326 HE3 LYS 42 HE1 LYS 42 -2.144 -7.357 -8.044 327 HZ1 LYS 42 HZ1 LYS 42 -3.666 -5.737 -10.011 328 HZ2 LYS 42 HZ2 LYS 42 -4.224 -7.134 -9.240 329 HZ3 LYS 42 HZ3 LYS 42 -2.926 -7.227 -10.318 330 H GLY 43 HN GLY 43 -0.630 -3.963 -3.923 331 HA2 GLY 43 HA2 GLY 43 -2.773 -3.858 -1.924 332 HA3 GLY 43 HA1 GLY 43 -1.187 -3.231 -1.497 333 H CYS 44 HN CYS 44 -3.875 -1.983 -1.826 334 HA CYS 44 HA CYS 44 -3.176 0.042 -3.843 335 HB2 CYS 44 HB2 CYS 44 -5.408 -1.105 -4.020 336 HB3 CYS 44 HB1 CYS 44 -5.836 -0.401 -2.465 337 HG CYS 44 HG CYS 44 -6.544 1.933 -3.322 338 H ILE 45 HN ILE 45 -3.019 2.180 -3.247 339 HA ILE 45 HA ILE 45 -2.787 2.657 -0.353 340 HB ILE 45 HB ILE 45 -1.663 4.228 -2.683 341 HG12 ILE 45 HG12 ILE 45 -0.560 2.042 -2.278 342 HG13 ILE 45 HG11 ILE 45 0.507 3.410 -1.981 343 HG21 ILE 45 HG21 ILE 45 -2.188 5.698 -0.825 344 HG22 ILE 45 HG22 ILE 45 -0.442 5.523 -1.000 345 HG23 ILE 45 HG23 ILE 45 -1.290 4.652 0.279 346 HD11 ILE 45 HD11 ILE 45 0.161 3.172 0.414 347 HD12 ILE 45 HD12 ILE 45 0.767 1.674 -0.294 348 HD13 ILE 45 HD13 ILE 45 -0.941 1.827 0.127 349 H HIS 46 HN HIS 46 -4.243 3.911 0.627 350 HA HIS 46 HA HIS 46 -5.946 5.601 -1.090 351 HB2 HIS 46 HB2 HIS 46 -7.058 3.776 0.288 352 HB3 HIS 46 HB1 HIS 46 -6.581 4.679 1.721 353 HD2 HIS 46 HD2 HIS 46 -8.465 5.800 -1.571 354 HE1 HIS 46 HE1 HIS 46 -10.533 7.192 1.843 355 HE2 HIS 46 HE2 HIS 46 -10.610 6.940 -0.675 356 H ASP 47 HN ASP 47 -4.964 7.506 -1.151 357 HA ASP 47 HA ASP 47 -3.391 8.576 0.930 358 HB2 ASP 47 HB2 ASP 47 -2.862 9.372 -1.194 359 HB3 ASP 47 HB1 ASP 47 -4.545 9.684 -1.599 360 H ASN 48 HN ASN 48 -3.870 9.701 2.650 361 HA ASN 48 HA ASN 48 -6.660 10.170 3.265 362 HB2 ASN 48 HB2 ASN 48 -5.745 10.712 5.559 363 HB3 ASN 48 HB1 ASN 48 -5.456 9.073 4.991 364 HD21 ASN 48 HD21 ASN 48 -3.717 8.760 6.337 365 HD22 ASN 48 HD22 ASN 48 -2.188 9.535 6.081 366 H ARG 49 HN ARG 49 -4.436 11.966 1.713 367 HA ARG 49 HA ARG 49 -5.049 14.494 3.016 368 HB2 ARG 49 HB2 ARG 49 -3.507 13.960 0.469 369 HB3 ARG 49 HB1 ARG 49 -3.609 15.501 1.309 370 HG2 ARG 49 HG2 ARG 49 -2.384 14.636 3.175 371 HG3 ARG 49 HG1 ARG 49 -2.420 13.005 2.499 372 HD2 ARG 49 HD2 ARG 49 -1.009 15.416 1.363 373 HD3 ARG 49 HD1 ARG 49 -0.261 13.981 2.066 374 HE ARG 49 HE ARG 49 -1.862 13.096 -0.020 375 HH11 ARG 49 HH11 ARG 49 0.984 15.089 0.415 376 HH12 ARG 49 HH12 ARG 49 1.569 14.840 -1.198 377 HH21 ARG 49 HH21 ARG 49 -1.091 12.759 -2.153 378 HH22 ARG 49 HH22 ARG 49 0.403 13.494 -2.649 379 H THR 50 HN THR 50 -5.181 13.534 -0.412 380 HA THR 50 HA THR 50 -7.669 15.100 -0.631 381 HB THR 50 HB THR 50 -5.824 14.406 -2.915 382 HG1 THR 50 HG1 THR 50 -5.700 16.489 -1.015 383 HG21 THR 50 HG21 THR 50 -8.100 15.093 -3.514 384 HG22 THR 50 HG22 THR 50 -6.925 16.320 -3.990 385 HG23 THR 50 HG23 THR 50 -7.915 16.559 -2.549 386 H GLY 51 HN GLY 51 -6.034 12.118 -1.574 387 HA2 GLY 51 HA2 GLY 51 -7.617 10.155 -1.399 388 HA3 GLY 51 HA1 GLY 51 -8.640 11.074 -2.492 389 H ASN 52 HN ASN 52 -5.134 10.866 -2.693 390 HA ASN 52 HA ASN 52 -5.119 10.064 -5.393 391 HB2 ASN 52 HB2 ASN 52 -2.926 9.658 -3.348 392 HB3 ASN 52 HB1 ASN 52 -2.735 9.653 -5.095 393 HD21 ASN 52 HD21 ASN 52 -4.526 11.897 -5.521 394 HD22 ASN 52 HD22 ASN 52 -3.672 13.300 -4.984 395 H ASP 53 HN ASP 53 -5.211 8.099 -6.335 396 HA ASP 53 HA ASP 53 -5.296 5.751 -4.562 397 HB2 ASP 53 HB2 ASP 53 -6.539 6.191 -7.287 398 HB3 ASP 53 HB1 ASP 53 -6.506 4.636 -6.466 399 H ARG 54 HN ARG 54 -3.436 4.679 -4.563 400 HA ARG 54 HA ARG 54 -2.015 4.391 -7.131 401 HB2 ARG 54 HB2 ARG 54 -0.771 4.566 -4.375 402 HB3 ARG 54 HB1 ARG 54 0.105 4.291 -5.872 403 HG2 ARG 54 HG2 ARG 54 -1.430 6.769 -5.126 404 HG3 ARG 54 HG1 ARG 54 0.325 6.593 -5.188 405 HD2 ARG 54 HD2 ARG 54 0.227 6.195 -7.578 406 HD3 ARG 54 HD1 ARG 54 -1.533 6.271 -7.540 407 HE ARG 54 HE ARG 54 0.256 8.549 -6.998 408 HH11 ARG 54 HH11 ARG 54 -2.805 7.235 -8.101 409 HH12 ARG 54 HH12 ARG 54 -3.411 8.770 -8.639 410 HH21 ARG 54 HH21 ARG 54 -0.537 10.560 -7.705 411 HH22 ARG 54 HH22 ARG 54 -2.116 10.665 -8.414 412 H VAL 55 HN VAL 55 -0.825 2.400 -7.398 413 HA VAL 55 HA VAL 55 -1.747 0.236 -5.636 414 HB VAL 55 HB VAL 55 -3.075 0.199 -7.715 415 HG11 VAL 55 HG11 VAL 55 -0.431 -0.217 -9.098 416 HG12 VAL 55 HG12 VAL 55 -1.475 1.196 -9.243 417 HG13 VAL 55 HG13 VAL 55 -2.017 -0.369 -9.851 418 HG21 VAL 55 HG21 VAL 55 -2.701 -2.149 -8.291 419 HG22 VAL 55 HG22 VAL 55 -2.621 -1.890 -6.547 420 HG23 VAL 55 HG23 VAL 55 -1.137 -2.099 -7.478 421 H GLY 56 HN GLY 56 -0.248 -1.296 -5.135 422 HA2 GLY 56 HA2 GLY 56 2.273 -1.339 -6.613 423 HA3 GLY 56 HA1 GLY 56 2.355 -0.898 -4.915 424 H TYR 57 HN TYR 57 3.716 -3.087 -5.861 425 HA TYR 57 HA TYR 57 2.183 -5.286 -4.654 426 HB2 TYR 57 HB2 TYR 57 3.555 -6.844 -5.990 427 HB3 TYR 57 HB1 TYR 57 2.626 -5.754 -7.010 428 HD1 TYR 57 HD1 TYR 57 5.952 -6.792 -5.967 429 HD2 TYR 57 HD2 TYR 57 3.761 -3.960 -8.267 430 HE1 TYR 57 HE1 TYR 57 8.014 -6.162 -7.145 431 HE2 TYR 57 HE2 TYR 57 5.820 -3.323 -9.452 432 HH TYR 57 HH TYR 57 8.306 -3.389 -8.980 433 H PHE 58 HN PHE 58 3.279 -6.625 -3.184 434 HA PHE 58 HA PHE 58 5.988 -5.894 -2.412 435 HB2 PHE 58 HB2 PHE 58 5.417 -5.350 -0.109 436 HB3 PHE 58 HB1 PHE 58 4.579 -4.259 -1.203 437 HD1 PHE 58 HD1 PHE 58 2.132 -5.103 -1.880 438 HD2 PHE 58 HD2 PHE 58 4.243 -6.221 1.642 439 HE1 PHE 58 HE1 PHE 58 0.003 -5.657 -0.784 440 HE2 PHE 58 HE2 PHE 58 2.117 -6.777 2.742 441 HZ PHE 58 HZ PHE 58 -0.003 -6.497 1.530 442 HA PRO 59 HA PRO 59 5.999 -10.202 -1.420 443 HB2 PRO 59 HB2 PRO 59 8.246 -10.363 0.048 444 HB3 PRO 59 HB1 PRO 59 8.286 -10.007 -1.683 445 HG2 PRO 59 HG2 PRO 59 8.507 -8.135 0.641 446 HG3 PRO 59 HG1 PRO 59 9.450 -8.173 -0.861 447 HD2 PRO 59 HD2 PRO 59 7.362 -6.467 -0.432 448 HD3 PRO 59 HD1 PRO 59 7.844 -7.041 -2.041 449 H SER 60 HN SER 60 4.333 -8.548 0.289 450 HA SER 60 HA SER 60 3.154 -8.657 2.212 451 HB2 SER 60 HB2 SER 60 3.190 -11.113 1.708 452 HB3 SER 60 HB1 SER 60 4.606 -11.256 2.749 453 HG SER 60 HG SER 60 2.791 -11.737 3.951 454 H SER 61 HN SER 61 3.440 -8.863 4.694 455 HA SER 61 HA SER 61 4.386 -8.070 6.594 456 HB2 SER 61 HB2 SER 61 5.916 -9.987 6.199 457 HB3 SER 61 HB1 SER 61 6.988 -8.920 5.293 458 HG SER 61 HG SER 61 7.246 -7.688 7.208 459 H LEU 62 HN LEU 62 3.652 -6.021 5.276 460 HA LEU 62 HA LEU 62 5.959 -4.195 5.199 461 HB2 LEU 62 HB2 LEU 62 5.092 -4.560 2.952 462 HB3 LEU 62 HB1 LEU 62 3.477 -4.133 3.486 463 HG LEU 62 HG LEU 62 4.278 -1.834 3.970 464 HD11 LEU 62 HD11 LEU 62 6.628 -2.312 4.343 465 HD12 LEU 62 HD12 LEU 62 6.434 -1.117 3.061 466 HD13 LEU 62 HD13 LEU 62 6.817 -2.791 2.656 467 HD21 LEU 62 HD21 LEU 62 4.428 -1.129 1.638 468 HD22 LEU 62 HD22 LEU 62 3.181 -2.353 1.861 469 HD23 LEU 62 HD23 LEU 62 4.733 -2.794 1.149 470 H GLY 63 HN GLY 63 2.406 -4.194 5.466 471 HA2 GLY 63 HA2 GLY 63 2.662 -1.931 7.334 472 HA3 GLY 63 HA1 GLY 63 1.248 -2.252 6.340 473 H GLU 64 HN GLU 64 1.146 -1.803 9.083 474 HA GLU 64 HA GLU 64 0.946 -4.303 10.479 475 HB2 GLU 64 HB2 GLU 64 0.015 -1.523 11.217 476 HB3 GLU 64 HB1 GLU 64 0.004 -2.910 12.300 477 HG2 GLU 64 HG2 GLU 64 2.406 -3.059 12.204 478 HG3 GLU 64 HG1 GLU 64 2.469 -1.763 11.012 479 H ALA 65 HN ALA 65 -0.716 -5.642 10.422 480 HA ALA 65 HA ALA 65 -2.996 -4.897 8.803 481 HB1 ALA 65 HB1 ALA 65 -1.844 -7.015 8.390 482 HB2 ALA 65 HB2 ALA 65 -3.537 -7.262 8.812 483 HB3 ALA 65 HB3 ALA 65 -2.278 -7.562 10.010 484 H ILE 66 HN ILE 66 -4.541 -3.824 9.804 485 HA ILE 66 HA ILE 66 -5.470 -4.776 12.420 486 HB ILE 66 HB ILE 66 -6.842 -2.692 12.459 487 HG12 ILE 66 HG12 ILE 66 -5.260 -2.004 9.968 488 HG13 ILE 66 HG11 ILE 66 -6.987 -2.336 10.021 489 HG21 ILE 66 HG21 ILE 66 -3.872 -2.332 12.100 490 HG22 ILE 66 HG22 ILE 66 -4.702 -2.783 13.589 491 HG23 ILE 66 HG23 ILE 66 -4.952 -1.181 12.891 492 HD11 ILE 66 HD11 ILE 66 -6.531 0.046 9.892 493 HD12 ILE 66 HD12 ILE 66 -5.592 -0.045 11.380 494 HD13 ILE 66 HD13 ILE 66 -7.325 -0.367 11.413 495 H VAL 67 HN VAL 67 -6.003 -5.318 9.258 496 HA VAL 67 HA VAL 67 -7.575 -6.405 8.062 497 HB VAL 67 HB VAL 67 -8.913 -6.956 10.713 498 HG11 VAL 67 HG11 VAL 67 -10.371 -7.395 8.822 499 HG12 VAL 67 HG12 VAL 67 -9.851 -8.913 9.554 500 HG13 VAL 67 HG13 VAL 67 -9.115 -8.360 8.050 501 HG21 VAL 67 HG21 VAL 67 -7.686 -9.085 10.674 502 HG22 VAL 67 HG22 VAL 67 -6.596 -7.698 10.752 503 HG23 VAL 67 HG23 VAL 67 -6.828 -8.553 9.226 Start of MODEL 27 1 H1 GLY 1 HT1 GLY 1 -4.297 -11.697 10.216 2 H2 GLY 1 HT2 GLY 1 -5.884 -12.227 10.455 3 H3 GLY 1 HT3 GLY 1 -5.363 -10.773 11.146 4 HA2 GLY 1 HA1 GLY 1 -6.733 -10.348 9.218 5 HA3 GLY 1 HA2 GLY 1 -5.084 -9.787 8.979 6 H SER 2 HN SER 2 -6.953 -12.800 8.558 7 HA SER 2 HA SER 2 -5.415 -13.335 6.125 8 HB2 SER 2 HB2 SER 2 -5.655 -15.107 7.905 9 HB3 SER 2 HB1 SER 2 -7.380 -15.149 7.553 10 HG SER 2 HG SER 2 -5.663 -15.417 5.370 11 H HIS 3 HN HIS 3 -6.487 -13.876 4.162 12 HA HIS 3 HA HIS 3 -7.949 -13.496 2.477 13 HB2 HIS 3 HB2 HIS 3 -9.923 -13.983 4.708 14 HB3 HIS 3 HB1 HIS 3 -10.412 -13.759 3.033 15 HD2 HIS 3 HD2 HIS 3 -8.249 -16.294 5.121 16 HE1 HIS 3 HE1 HIS 3 -9.696 -18.171 1.621 17 HE2 HIS 3 HE2 HIS 3 -8.191 -18.422 3.643 18 H MET 4 HN MET 4 -7.115 -11.367 2.320 19 HA MET 4 HA MET 4 -7.357 -9.151 1.891 20 HB2 MET 4 HB2 MET 4 -10.200 -9.439 2.881 21 HB3 MET 4 HB1 MET 4 -9.540 -8.066 2.007 22 HG2 MET 4 HG2 MET 4 -9.860 -10.862 0.945 23 HG3 MET 4 HG1 MET 4 -10.871 -9.474 0.553 24 HE1 MET 4 HE1 MET 4 -10.503 -9.943 -2.045 25 HE2 MET 4 HE2 MET 4 -9.515 -11.340 -1.619 26 HE3 MET 4 HE3 MET 4 -8.908 -10.152 -2.772 27 H LEU 5 HN LEU 5 -6.429 -7.622 3.088 28 HA LEU 5 HA LEU 5 -7.312 -7.240 5.832 29 HB2 LEU 5 HB2 LEU 5 -4.970 -7.336 6.690 30 HB3 LEU 5 HB1 LEU 5 -5.642 -8.884 6.219 31 HG LEU 5 HG LEU 5 -3.903 -7.362 4.308 32 HD11 LEU 5 HD11 LEU 5 -2.957 -9.159 6.533 33 HD12 LEU 5 HD12 LEU 5 -2.614 -7.438 6.353 34 HD13 LEU 5 HD13 LEU 5 -1.964 -8.593 5.191 35 HD21 LEU 5 HD21 LEU 5 -3.371 -9.613 3.510 36 HD22 LEU 5 HD22 LEU 5 -5.108 -9.315 3.475 37 HD23 LEU 5 HD23 LEU 5 -4.408 -10.300 4.758 38 H GLN 6 HN GLN 6 -6.743 -5.263 6.720 39 HA GLN 6 HA GLN 6 -5.732 -3.315 4.767 40 HB2 GLN 6 HB2 GLN 6 -8.141 -3.107 5.523 41 HB3 GLN 6 HB1 GLN 6 -7.526 -2.752 7.129 42 HG2 GLN 6 HG2 GLN 6 -6.478 -0.755 6.367 43 HG3 GLN 6 HG1 GLN 6 -6.821 -1.156 4.685 44 HE21 GLN 6 HE21 GLN 6 -8.140 0.005 7.681 45 HE22 GLN 6 HE22 GLN 6 -9.642 0.565 7.033 46 H VAL 7 HN VAL 7 -3.773 -2.600 5.226 47 HA VAL 7 HA VAL 7 -2.799 -2.952 7.972 48 HB VAL 7 HB VAL 7 -0.545 -3.111 7.058 49 HG11 VAL 7 HG11 VAL 7 -0.776 -5.260 5.864 50 HG12 VAL 7 HG12 VAL 7 -2.510 -4.970 5.726 51 HG13 VAL 7 HG13 VAL 7 -1.773 -5.170 7.315 52 HG21 VAL 7 HG21 VAL 7 -0.166 -3.269 4.639 53 HG22 VAL 7 HG22 VAL 7 -0.777 -1.683 5.106 54 HG23 VAL 7 HG23 VAL 7 -1.857 -2.859 4.353 55 H ARG 8 HN ARG 8 -1.693 -1.359 8.992 56 HA ARG 8 HA ARG 8 -1.632 1.280 7.693 57 HB2 ARG 8 HB2 ARG 8 -1.248 0.602 10.617 58 HB3 ARG 8 HB1 ARG 8 -1.378 2.213 9.926 59 HG2 ARG 8 HG2 ARG 8 -3.689 1.749 9.285 60 HG3 ARG 8 HG1 ARG 8 -3.556 0.134 9.985 61 HD2 ARG 8 HD2 ARG 8 -3.418 2.784 11.412 62 HD3 ARG 8 HD1 ARG 8 -4.635 1.522 11.594 63 HE ARG 8 HE ARG 8 -1.846 0.945 12.303 64 HH11 ARG 8 HH11 ARG 8 -5.179 1.398 13.298 65 HH12 ARG 8 HH12 ARG 8 -4.915 0.732 14.877 66 HH21 ARG 8 HH21 ARG 8 -1.502 0.084 14.368 67 HH22 ARG 8 HH22 ARG 8 -2.833 -0.003 15.491 68 H ALA 9 HN ALA 9 0.265 1.648 6.730 69 HA ALA 9 HA ALA 9 2.681 0.538 8.000 70 HB1 ALA 9 HB1 ALA 9 2.241 1.126 5.078 71 HB2 ALA 9 HB2 ALA 9 2.186 -0.473 5.821 72 HB3 ALA 9 HB3 ALA 9 3.696 0.439 5.795 73 H THR 10 HN THR 10 4.233 1.886 8.586 74 HA THR 10 HA THR 10 4.112 4.656 7.607 75 HB THR 10 HB THR 10 5.425 5.220 9.697 76 HG1 THR 10 HG1 THR 10 5.462 2.576 9.950 77 HG21 THR 10 HG21 THR 10 2.667 4.053 10.085 78 HG22 THR 10 HG22 THR 10 3.034 5.686 9.528 79 HG23 THR 10 HG23 THR 10 3.463 5.198 11.164 80 H LYS 11 HN LYS 11 5.473 4.685 5.936 81 HA LYS 11 HA LYS 11 8.280 4.437 6.362 82 HB2 LYS 11 HB2 LYS 11 7.677 2.056 6.078 83 HB3 LYS 11 HB1 LYS 11 6.936 2.433 4.530 84 HG2 LYS 11 HG2 LYS 11 9.082 3.079 3.623 85 HG3 LYS 11 HG1 LYS 11 9.848 2.802 5.187 86 HD2 LYS 11 HD2 LYS 11 9.192 0.433 5.064 87 HD3 LYS 11 HD1 LYS 11 8.489 0.727 3.470 88 HE2 LYS 11 HE2 LYS 11 10.712 -0.246 3.265 89 HE3 LYS 11 HE1 LYS 11 10.685 1.395 2.623 90 HZ1 LYS 11 HZ1 LYS 11 11.656 0.656 5.330 91 HZ2 LYS 11 HZ2 LYS 11 11.719 2.192 4.627 92 HZ3 LYS 11 HZ3 LYS 11 12.651 0.933 3.991 93 H ASP 12 HN ASP 12 9.418 5.532 4.759 94 HA ASP 12 HA ASP 12 7.866 7.121 2.924 95 HB2 ASP 12 HB2 ASP 12 10.868 6.894 3.266 96 HB3 ASP 12 HB1 ASP 12 10.058 8.067 2.237 97 H TYR 13 HN TYR 13 6.985 5.254 1.783 98 HA TYR 13 HA TYR 13 8.892 3.858 0.059 99 HB2 TYR 13 HB2 TYR 13 7.125 2.669 1.527 100 HB3 TYR 13 HB1 TYR 13 5.966 3.206 0.313 101 HD1 TYR 13 HD1 TYR 13 9.037 1.196 0.809 102 HD2 TYR 13 HD2 TYR 13 5.718 2.023 -1.715 103 HE1 TYR 13 HE1 TYR 13 9.597 -0.765 -0.561 104 HE2 TYR 13 HE2 TYR 13 6.265 0.059 -3.090 105 HH TYR 13 HH TYR 13 8.464 -2.318 -2.108 106 H CYS 14 HN CYS 14 8.459 3.639 -2.185 107 HA CYS 14 HA CYS 14 7.854 4.288 -4.263 108 HB2 CYS 14 HB2 CYS 14 5.517 4.070 -3.400 109 HB3 CYS 14 HB1 CYS 14 5.561 5.776 -2.975 110 HG CYS 14 HG CYS 14 4.044 5.337 -5.333 111 H ASN 15 HN ASN 15 9.841 5.658 -2.995 112 HA ASN 15 HA ASN 15 9.466 8.485 -3.490 113 HB2 ASN 15 HB2 ASN 15 11.978 6.921 -2.852 114 HB3 ASN 15 HB1 ASN 15 11.880 8.673 -2.955 115 HD21 ASN 15 HD21 ASN 15 9.181 8.633 -1.712 116 HD22 ASN 15 HD22 ASN 15 9.465 8.368 -0.031 117 H ASN 16 HN ASN 16 8.731 7.329 -5.700 118 HA ASN 16 HA ASN 16 10.939 7.715 -7.600 119 HB2 ASN 16 HB2 ASN 16 8.871 5.503 -7.622 120 HB3 ASN 16 HB1 ASN 16 9.940 5.865 -8.973 121 HD21 ASN 16 HD21 ASN 16 12.121 5.352 -8.824 122 HD22 ASN 16 HD22 ASN 16 12.735 4.300 -7.593 123 H TYR 17 HN TYR 17 10.353 8.612 -9.566 124 HA TYR 17 HA TYR 17 8.123 10.398 -9.388 125 HB2 TYR 17 HB2 TYR 17 10.067 9.920 -11.653 126 HB3 TYR 17 HB1 TYR 17 8.937 11.263 -11.544 127 HD1 TYR 17 HD1 TYR 17 9.306 13.073 -9.943 128 HD2 TYR 17 HD2 TYR 17 12.089 9.879 -10.323 129 HE1 TYR 17 HE1 TYR 17 10.978 14.392 -8.715 130 HE2 TYR 17 HE2 TYR 17 13.768 11.189 -9.095 131 HH TYR 17 HH TYR 17 14.280 13.488 -8.562 132 H ASP 18 HN ASP 18 8.858 7.450 -11.094 133 HA ASP 18 HA ASP 18 6.040 7.160 -11.695 134 HB2 ASP 18 HB2 ASP 18 6.352 6.600 -14.035 135 HB3 ASP 18 HB1 ASP 18 6.935 8.227 -13.728 136 H LEU 19 HN LEU 19 5.596 5.325 -10.709 137 HA LEU 19 HA LEU 19 6.865 2.882 -11.453 138 HB2 LEU 19 HB2 LEU 19 8.454 3.965 -9.760 139 HB3 LEU 19 HB1 LEU 19 7.197 3.697 -8.569 140 HG LEU 19 HG LEU 19 7.329 1.240 -9.120 141 HD11 LEU 19 HD11 LEU 19 9.342 0.444 -10.239 142 HD12 LEU 19 HD12 LEU 19 9.826 2.107 -10.568 143 HD13 LEU 19 HD13 LEU 19 8.373 1.447 -11.316 144 HD21 LEU 19 HD21 LEU 19 9.374 0.887 -7.814 145 HD22 LEU 19 HD22 LEU 19 8.372 2.164 -7.126 146 HD23 LEU 19 HD23 LEU 19 9.814 2.578 -8.055 147 H THR 20 HN THR 20 5.795 1.029 -10.440 148 HA THR 20 HA THR 20 3.211 1.722 -9.230 149 HB THR 20 HB THR 20 4.126 -0.929 -10.380 150 HG1 THR 20 HG1 THR 20 3.533 1.150 -11.718 151 HG21 THR 20 HG21 THR 20 1.740 -1.538 -10.215 152 HG22 THR 20 HG22 THR 20 1.419 -0.007 -9.401 153 HG23 THR 20 HG23 THR 20 2.450 -1.217 -8.636 154 H SER 21 HN SER 21 3.460 1.909 -7.125 155 HA SER 21 HA SER 21 4.573 -0.209 -5.532 156 HB2 SER 21 HB2 SER 21 6.157 1.593 -4.449 157 HB3 SER 21 HB1 SER 21 6.669 0.727 -5.898 158 HG SER 21 HG SER 21 5.479 3.309 -5.817 159 H LEU 22 HN LEU 22 4.404 0.364 -3.196 160 HA LEU 22 HA LEU 22 1.867 1.476 -2.643 161 HB2 LEU 22 HB2 LEU 22 4.139 0.707 -0.812 162 HB3 LEU 22 HB1 LEU 22 2.571 1.227 -0.241 163 HG LEU 22 HG LEU 22 2.569 -1.117 -0.076 164 HD11 LEU 22 HD11 LEU 22 0.516 -0.229 -1.003 165 HD12 LEU 22 HD12 LEU 22 0.852 -1.835 -1.648 166 HD13 LEU 22 HD13 LEU 22 1.157 -0.407 -2.636 167 HD21 LEU 22 HD21 LEU 22 3.578 -1.249 -2.912 168 HD22 LEU 22 HD22 LEU 22 3.159 -2.628 -1.896 169 HD23 LEU 22 HD23 LEU 22 4.515 -1.589 -1.457 170 H ASN 23 HN ASN 23 1.568 3.596 -3.008 171 HA ASN 23 HA ASN 23 3.535 5.599 -2.497 172 HB2 ASN 23 HB2 ASN 23 0.569 5.796 -3.048 173 HB3 ASN 23 HB1 ASN 23 1.605 7.199 -2.844 174 HD21 ASN 23 HD21 ASN 23 1.281 7.961 -4.897 175 HD22 ASN 23 HD22 ASN 23 1.917 7.179 -6.304 176 H VAL 24 HN VAL 24 3.903 4.720 -0.269 177 HA VAL 24 HA VAL 24 1.906 5.423 1.717 178 HB VAL 24 HB VAL 24 4.702 4.383 2.194 179 HG11 VAL 24 HG11 VAL 24 2.219 4.322 3.904 180 HG12 VAL 24 HG12 VAL 24 3.625 5.358 4.147 181 HG13 VAL 24 HG13 VAL 24 3.778 3.609 4.322 182 HG21 VAL 24 HG21 VAL 24 3.653 2.148 2.385 183 HG22 VAL 24 HG22 VAL 24 3.593 2.810 0.751 184 HG23 VAL 24 HG23 VAL 24 2.149 2.836 1.768 185 H LYS 25 HN LYS 25 1.780 7.429 2.451 186 HA LYS 25 HA LYS 25 3.938 9.303 2.150 187 HB2 LYS 25 HB2 LYS 25 2.384 10.909 3.203 188 HB3 LYS 25 HB1 LYS 25 1.652 10.062 1.850 189 HG2 LYS 25 HG2 LYS 25 0.451 8.605 3.388 190 HG3 LYS 25 HG1 LYS 25 1.215 9.408 4.760 191 HD2 LYS 25 HD2 LYS 25 0.178 11.541 4.008 192 HD3 LYS 25 HD1 LYS 25 -0.679 10.639 2.760 193 HE2 LYS 25 HE2 LYS 25 -2.140 10.970 4.651 194 HE3 LYS 25 HE1 LYS 25 -1.725 9.261 4.528 195 HZ1 LYS 25 HZ1 LYS 25 -1.642 10.180 6.816 196 HZ2 LYS 25 HZ2 LYS 25 -0.344 11.157 6.342 197 HZ3 LYS 25 HZ3 LYS 25 -0.191 9.471 6.313 198 H ALA 26 HN ALA 26 4.946 7.324 3.621 199 HA ALA 26 HA ALA 26 5.982 6.718 5.540 200 HB1 ALA 26 HB1 ALA 26 5.678 9.632 6.240 201 HB2 ALA 26 HB2 ALA 26 6.993 8.924 5.299 202 HB3 ALA 26 HB3 ALA 26 6.789 8.488 6.995 203 H GLY 27 HN GLY 27 3.027 6.708 5.397 204 HA2 GLY 27 HA2 GLY 27 2.207 5.482 7.594 205 HA3 GLY 27 HA1 GLY 27 2.210 7.150 8.157 206 H ASP 28 HN ASP 28 0.524 4.763 6.399 207 HA ASP 28 HA ASP 28 -1.745 6.520 6.100 208 HB2 ASP 28 HB2 ASP 28 -0.086 6.647 4.016 209 HB3 ASP 28 HB1 ASP 28 -0.950 5.185 3.558 210 H ILE 29 HN ILE 29 -3.427 5.153 4.626 211 HA ILE 29 HA ILE 29 -3.617 2.573 6.029 212 HB ILE 29 HB ILE 29 -5.795 4.186 4.687 213 HG12 ILE 29 HG12 ILE 29 -4.955 5.332 6.670 214 HG13 ILE 29 HG11 ILE 29 -6.558 4.679 6.980 215 HG21 ILE 29 HG21 ILE 29 -5.963 1.727 6.424 216 HG22 ILE 29 HG22 ILE 29 -6.276 1.806 4.689 217 HG23 ILE 29 HG23 ILE 29 -7.336 2.653 5.817 218 HD11 ILE 29 HD11 ILE 29 -3.950 3.491 7.892 219 HD12 ILE 29 HD12 ILE 29 -5.546 2.799 8.178 220 HD13 ILE 29 HD13 ILE 29 -5.120 4.354 8.889 221 H ILE 30 HN ILE 30 -3.234 0.817 4.899 222 HA ILE 30 HA ILE 30 -3.476 0.963 1.966 223 HB ILE 30 HB ILE 30 -1.641 -0.853 3.523 224 HG12 ILE 30 HG12 ILE 30 -1.007 1.795 2.208 225 HG13 ILE 30 HG11 ILE 30 -1.075 1.508 3.942 226 HG21 ILE 30 HG21 ILE 30 -0.490 -1.068 1.354 227 HG22 ILE 30 HG22 ILE 30 -1.744 -0.074 0.614 228 HG23 ILE 30 HG23 ILE 30 -2.155 -1.645 1.298 229 HD11 ILE 30 HD11 ILE 30 0.781 -0.092 3.715 230 HD12 ILE 30 HD12 ILE 30 1.207 1.547 3.217 231 HD13 ILE 30 HD13 ILE 30 0.882 0.314 2.000 232 H THR 31 HN THR 31 -4.858 -0.407 1.048 233 HA THR 31 HA THR 31 -5.967 -2.581 2.687 234 HB THR 31 HB THR 31 -7.066 -1.373 0.137 235 HG1 THR 31 HG1 THR 31 -7.569 0.175 1.517 236 HG21 THR 31 HG21 THR 31 -8.311 -3.273 2.131 237 HG22 THR 31 HG22 THR 31 -7.779 -3.688 0.501 238 HG23 THR 31 HG23 THR 31 -9.123 -2.569 0.731 239 H VAL 32 HN VAL 32 -5.032 -4.498 2.318 240 HA VAL 32 HA VAL 32 -3.938 -4.962 -0.375 241 HB VAL 32 HB VAL 32 -2.111 -6.194 0.562 242 HG11 VAL 32 HG11 VAL 32 -0.964 -4.464 1.858 243 HG12 VAL 32 HG12 VAL 32 -2.500 -3.628 2.094 244 HG13 VAL 32 HG13 VAL 32 -1.819 -3.780 0.475 245 HG21 VAL 32 HG21 VAL 32 -3.334 -5.711 3.271 246 HG22 VAL 32 HG22 VAL 32 -1.790 -6.501 2.955 247 HG23 VAL 32 HG23 VAL 32 -3.293 -7.254 2.418 248 H LEU 33 HN LEU 33 -3.848 -7.156 -1.095 249 HA LEU 33 HA LEU 33 -5.957 -8.780 0.122 250 HB2 LEU 33 HB2 LEU 33 -5.948 -9.968 -2.180 251 HB3 LEU 33 HB1 LEU 33 -6.807 -8.465 -1.976 252 HG LEU 33 HG LEU 33 -5.621 -8.698 -4.142 253 HD11 LEU 33 HD11 LEU 33 -4.706 -6.458 -4.203 254 HD12 LEU 33 HD12 LEU 33 -4.667 -6.410 -2.444 255 HD13 LEU 33 HD13 LEU 33 -6.211 -6.507 -3.288 256 HD21 LEU 33 HD21 LEU 33 -3.119 -8.487 -2.486 257 HD22 LEU 33 HD22 LEU 33 -3.206 -8.406 -4.244 258 HD23 LEU 33 HD23 LEU 33 -3.645 -9.895 -3.408 259 H GLU 34 HN GLU 34 -5.669 -10.964 0.386 260 HA GLU 34 HA GLU 34 -2.849 -11.737 0.615 261 HB2 GLU 34 HB2 GLU 34 -4.056 -11.735 2.724 262 HB3 GLU 34 HB1 GLU 34 -5.320 -12.745 2.038 263 HG2 GLU 34 HG2 GLU 34 -3.674 -14.555 1.745 264 HG3 GLU 34 HG1 GLU 34 -2.460 -13.542 2.527 265 H GLN 35 HN GLN 35 -2.190 -12.957 -1.031 266 HA GLN 35 HA GLN 35 -4.026 -15.042 -1.994 267 HB2 GLN 35 HB2 GLN 35 -1.954 -13.505 -3.571 268 HB3 GLN 35 HB1 GLN 35 -2.796 -14.926 -4.175 269 HG2 GLN 35 HG2 GLN 35 -4.038 -12.298 -3.401 270 HG3 GLN 35 HG1 GLN 35 -3.813 -12.918 -5.034 271 HE21 GLN 35 HE21 GLN 35 -6.262 -12.123 -3.718 272 HE22 GLN 35 HE22 GLN 35 -7.298 -13.507 -3.710 273 H HIS 36 HN HIS 36 -0.632 -14.705 -2.874 274 HA HIS 36 HA HIS 36 -0.088 -17.150 -1.320 275 HB2 HIS 36 HB2 HIS 36 1.077 -16.365 -4.001 276 HB3 HIS 36 HB1 HIS 36 1.530 -17.790 -3.073 277 HD2 HIS 36 HD2 HIS 36 -1.344 -19.050 -2.415 278 HE1 HIS 36 HE1 HIS 36 -2.011 -18.757 -6.580 279 HE2 HIS 36 HE2 HIS 36 -2.902 -19.669 -4.393 280 HA PRO 37 HA PRO 37 2.776 -14.206 0.575 281 HB2 PRO 37 HB2 PRO 37 3.621 -15.953 2.511 282 HB3 PRO 37 HB1 PRO 37 2.158 -14.972 2.644 283 HG2 PRO 37 HG2 PRO 37 2.453 -17.840 1.858 284 HG3 PRO 37 HG1 PRO 37 1.226 -17.080 2.888 285 HD2 PRO 37 HD2 PRO 37 0.736 -17.746 0.324 286 HD3 PRO 37 HD1 PRO 37 -0.001 -16.322 1.086 287 H ASP 38 HN ASP 38 3.277 -17.249 -0.866 288 HA ASP 38 HA ASP 38 6.116 -17.398 -0.641 289 HB2 ASP 38 HB2 ASP 38 4.807 -19.394 -1.089 290 HB3 ASP 38 HB1 ASP 38 4.186 -18.692 -2.577 291 H GLY 39 HN GLY 39 3.923 -15.665 -2.640 292 HA2 GLY 39 HA2 GLY 39 6.126 -14.919 -4.451 293 HA3 GLY 39 HA1 GLY 39 4.429 -14.912 -4.906 294 H ARG 40 HN ARG 40 3.635 -12.927 -5.072 295 HA ARG 40 HA ARG 40 4.388 -10.952 -3.054 296 HB2 ARG 40 HB2 ARG 40 4.794 -9.243 -4.737 297 HB3 ARG 40 HB1 ARG 40 5.884 -10.602 -4.967 298 HG2 ARG 40 HG2 ARG 40 4.066 -11.393 -6.667 299 HG3 ARG 40 HG1 ARG 40 3.607 -9.689 -6.655 300 HD2 ARG 40 HD2 ARG 40 6.281 -10.870 -7.378 301 HD3 ARG 40 HD1 ARG 40 5.161 -10.021 -8.442 302 HE ARG 40 HE ARG 40 5.855 -8.276 -6.381 303 HH11 ARG 40 HH11 ARG 40 7.402 -9.921 -9.047 304 HH12 ARG 40 HH12 ARG 40 8.619 -8.705 -9.265 305 HH21 ARG 40 HH21 ARG 40 7.457 -6.669 -6.658 306 HH22 ARG 40 HH22 ARG 40 8.643 -6.845 -7.913 307 H TRP 41 HN TRP 41 2.852 -9.410 -2.631 308 HA TRP 41 HA TRP 41 0.173 -10.050 -3.650 309 HB2 TRP 41 HB2 TRP 41 1.013 -8.635 -1.110 310 HB3 TRP 41 HB1 TRP 41 -0.648 -8.933 -1.597 311 HD1 TRP 41 HD1 TRP 41 1.000 -12.013 -2.474 312 HE1 TRP 41 HE1 TRP 41 0.818 -13.760 -0.597 313 HE3 TRP 41 HE3 TRP 41 -0.446 -8.946 1.343 314 HZ2 TRP 41 HZ2 TRP 41 0.144 -13.826 2.150 315 HZ3 TRP 41 HZ3 TRP 41 -0.844 -9.922 3.558 316 HH2 TRP 41 HH2 TRP 41 -0.558 -12.313 3.955 317 H LYS 42 HN LYS 42 -1.326 -8.205 -3.766 318 HA LYS 42 HA LYS 42 0.006 -5.765 -4.708 319 HB2 LYS 42 HB2 LYS 42 -2.874 -6.598 -5.105 320 HB3 LYS 42 HB1 LYS 42 -2.065 -5.234 -5.853 321 HG2 LYS 42 HG2 LYS 42 -0.675 -6.717 -7.154 322 HG3 LYS 42 HG1 LYS 42 -1.362 -8.122 -6.332 323 HD2 LYS 42 HD2 LYS 42 -3.590 -7.501 -7.200 324 HD3 LYS 42 HD1 LYS 42 -2.850 -6.165 -8.080 325 HE2 LYS 42 HE2 LYS 42 -1.531 -7.719 -9.391 326 HE3 LYS 42 HE1 LYS 42 -2.165 -9.077 -8.464 327 HZ1 LYS 42 HZ1 LYS 42 -3.788 -7.255 -10.161 328 HZ2 LYS 42 HZ2 LYS 42 -4.369 -8.588 -9.301 329 HZ3 LYS 42 HZ3 LYS 42 -3.303 -8.817 -10.592 330 H GLY 43 HN GLY 43 -0.375 -3.860 -3.690 331 HA2 GLY 43 HA2 GLY 43 -2.334 -3.899 -1.487 332 HA3 GLY 43 HA1 GLY 43 -0.752 -3.146 -1.319 333 H CYS 44 HN CYS 44 -3.698 -2.234 -1.365 334 HA CYS 44 HA CYS 44 -3.410 -0.141 -3.404 335 HB2 CYS 44 HB2 CYS 44 -5.868 -0.861 -1.803 336 HB3 CYS 44 HB1 CYS 44 -5.788 0.159 -3.236 337 HG CYS 44 HG CYS 44 -6.079 -3.140 -2.996 338 H ILE 45 HN ILE 45 -3.345 1.974 -2.834 339 HA ILE 45 HA ILE 45 -2.938 2.498 0.026 340 HB ILE 45 HB ILE 45 -2.174 4.201 -2.354 341 HG12 ILE 45 HG12 ILE 45 -0.905 2.070 -2.235 342 HG13 ILE 45 HG11 ILE 45 0.111 3.485 -1.980 343 HG21 ILE 45 HG21 ILE 45 -2.550 5.504 -0.337 344 HG22 ILE 45 HG22 ILE 45 -0.833 5.471 -0.748 345 HG23 ILE 45 HG23 ILE 45 -1.448 4.457 0.561 346 HD11 ILE 45 HD11 ILE 45 0.048 3.088 0.428 347 HD12 ILE 45 HD12 ILE 45 0.695 1.704 -0.453 348 HD13 ILE 45 HD13 ILE 45 -0.956 1.663 0.158 349 H HIS 46 HN HIS 46 -4.665 3.295 1.023 350 HA HIS 46 HA HIS 46 -6.346 5.185 -0.474 351 HB2 HIS 46 HB2 HIS 46 -6.897 3.572 2.028 352 HB3 HIS 46 HB1 HIS 46 -7.957 4.856 1.456 353 HD2 HIS 46 HD2 HIS 46 -8.525 4.267 -1.508 354 HE1 HIS 46 HE1 HIS 46 -9.029 0.206 -0.439 355 HE2 HIS 46 HE2 HIS 46 -9.299 1.917 -2.284 356 H ASP 47 HN ASP 47 -5.432 7.079 -0.295 357 HA ASP 47 HA ASP 47 -3.814 7.889 1.883 358 HB2 ASP 47 HB2 ASP 47 -3.258 8.802 -0.203 359 HB3 ASP 47 HB1 ASP 47 -4.920 9.235 -0.559 360 H ASN 48 HN ASN 48 -4.576 8.309 3.818 361 HA ASN 48 HA ASN 48 -7.299 9.204 4.201 362 HB2 ASN 48 HB2 ASN 48 -6.961 8.843 6.527 363 HB3 ASN 48 HB1 ASN 48 -6.128 7.534 5.702 364 HD21 ASN 48 HD21 ASN 48 -3.846 7.539 5.644 365 HD22 ASN 48 HD22 ASN 48 -2.942 8.442 6.820 366 H ARG 49 HN ARG 49 -4.682 10.797 3.288 367 HA ARG 49 HA ARG 49 -4.846 13.126 4.972 368 HB2 ARG 49 HB2 ARG 49 -2.724 12.827 4.093 369 HB3 ARG 49 HB1 ARG 49 -3.329 12.333 2.523 370 HG2 ARG 49 HG2 ARG 49 -4.004 14.677 2.100 371 HG3 ARG 49 HG1 ARG 49 -3.254 15.127 3.634 372 HD2 ARG 49 HD2 ARG 49 -1.817 15.476 1.604 373 HD3 ARG 49 HD1 ARG 49 -1.100 14.473 2.865 374 HE ARG 49 HE ARG 49 -2.199 12.614 1.280 375 HH11 ARG 49 HH11 ARG 49 -0.267 15.426 0.469 376 HH12 ARG 49 HH12 ARG 49 0.488 14.668 -0.895 377 HH21 ARG 49 HH21 ARG 49 -1.217 11.620 -0.504 378 HH22 ARG 49 HH22 ARG 49 -0.061 12.495 -1.453 379 H THR 50 HN THR 50 -5.469 12.596 1.496 380 HA THR 50 HA THR 50 -7.567 14.663 1.655 381 HB THR 50 HB THR 50 -5.848 13.978 -0.738 382 HG1 THR 50 HG1 THR 50 -5.705 16.038 1.211 383 HG21 THR 50 HG21 THR 50 -7.841 16.207 -0.303 384 HG22 THR 50 HG22 THR 50 -8.081 14.794 -1.331 385 HG23 THR 50 HG23 THR 50 -6.842 15.978 -1.738 386 H GLY 51 HN GLY 51 -6.514 11.661 0.093 387 HA2 GLY 51 HA2 GLY 51 -8.418 9.965 0.163 388 HA3 GLY 51 HA1 GLY 51 -9.309 11.187 -0.727 389 H ASN 52 HN ASN 52 -5.912 10.343 -1.180 390 HA ASN 52 HA ASN 52 -6.359 9.860 -3.981 391 HB2 ASN 52 HB2 ASN 52 -3.864 9.527 -2.300 392 HB3 ASN 52 HB1 ASN 52 -3.923 9.379 -4.051 393 HD21 ASN 52 HD21 ASN 52 -5.810 11.561 -4.389 394 HD22 ASN 52 HD22 ASN 52 -4.919 13.016 -4.102 395 H ASP 53 HN ASP 53 -5.636 7.887 -5.066 396 HA ASP 53 HA ASP 53 -5.825 5.444 -3.456 397 HB2 ASP 53 HB2 ASP 53 -8.075 5.732 -4.241 398 HB3 ASP 53 HB1 ASP 53 -7.519 6.139 -5.858 399 H ARG 54 HN ARG 54 -4.110 4.234 -3.906 400 HA ARG 54 HA ARG 54 -3.076 4.170 -6.651 401 HB2 ARG 54 HB2 ARG 54 -1.466 4.751 -4.168 402 HB3 ARG 54 HB1 ARG 54 -0.733 4.214 -5.672 403 HG2 ARG 54 HG2 ARG 54 -2.446 6.678 -5.454 404 HG3 ARG 54 HG1 ARG 54 -0.692 6.688 -5.264 405 HD2 ARG 54 HD2 ARG 54 -1.249 7.300 -7.526 406 HD3 ARG 54 HD1 ARG 54 -0.477 5.717 -7.526 407 HE ARG 54 HE ARG 54 -3.405 5.857 -7.567 408 HH11 ARG 54 HH11 ARG 54 -0.401 5.155 -9.223 409 HH12 ARG 54 HH12 ARG 54 -1.163 4.295 -10.520 410 HH21 ARG 54 HH21 ARG 54 -4.422 4.724 -9.273 411 HH22 ARG 54 HH22 ARG 54 -3.460 4.051 -10.551 412 H VAL 55 HN VAL 55 -1.447 2.366 -6.936 413 HA VAL 55 HA VAL 55 -1.986 0.120 -5.132 414 HB VAL 55 HB VAL 55 -3.502 -0.127 -7.033 415 HG11 VAL 55 HG11 VAL 55 -2.282 1.131 -8.705 416 HG12 VAL 55 HG12 VAL 55 -2.650 -0.487 -9.301 417 HG13 VAL 55 HG13 VAL 55 -1.022 -0.103 -8.740 418 HG21 VAL 55 HG21 VAL 55 -1.223 -2.101 -7.083 419 HG22 VAL 55 HG22 VAL 55 -2.825 -2.377 -7.767 420 HG23 VAL 55 HG23 VAL 55 -2.636 -2.155 -6.029 421 H GLY 56 HN GLY 56 -0.311 -1.292 -4.840 422 HA2 GLY 56 HA2 GLY 56 2.072 -1.077 -6.521 423 HA3 GLY 56 HA1 GLY 56 2.261 -0.674 -4.818 424 H TYR 57 HN TYR 57 3.732 -2.744 -5.880 425 HA TYR 57 HA TYR 57 2.338 -5.174 -4.976 426 HB2 TYR 57 HB2 TYR 57 4.908 -4.879 -6.556 427 HB3 TYR 57 HB1 TYR 57 4.176 -6.406 -6.085 428 HD1 TYR 57 HD1 TYR 57 2.255 -7.276 -7.257 429 HD2 TYR 57 HD2 TYR 57 3.903 -3.497 -8.301 430 HE1 TYR 57 HE1 TYR 57 0.961 -7.297 -9.351 431 HE2 TYR 57 HE2 TYR 57 2.614 -3.506 -10.394 432 HH TYR 57 HH TYR 57 0.112 -5.774 -11.009 433 H PHE 58 HN PHE 58 3.239 -6.487 -3.363 434 HA PHE 58 HA PHE 58 5.827 -5.824 -2.242 435 HB2 PHE 58 HB2 PHE 58 5.091 -5.307 -0.013 436 HB3 PHE 58 HB1 PHE 58 4.244 -4.231 -1.116 437 HD1 PHE 58 HD1 PHE 58 1.862 -5.019 -1.854 438 HD2 PHE 58 HD2 PHE 58 3.920 -6.462 1.580 439 HE1 PHE 58 HE1 PHE 58 -0.276 -5.742 -0.880 440 HE2 PHE 58 HE2 PHE 58 1.787 -7.187 2.559 441 HZ PHE 58 HZ PHE 58 -0.313 -6.831 1.329 442 HA PRO 59 HA PRO 59 5.520 -10.197 -1.543 443 HB2 PRO 59 HB2 PRO 59 7.847 -10.615 -0.291 444 HB3 PRO 59 HB1 PRO 59 7.789 -10.130 -1.990 445 HG2 PRO 59 HG2 PRO 59 8.349 -8.474 0.435 446 HG3 PRO 59 HG1 PRO 59 9.141 -8.441 -1.150 447 HD2 PRO 59 HD2 PRO 59 7.184 -6.670 -0.344 448 HD3 PRO 59 HD1 PRO 59 7.561 -7.050 -2.037 449 H SER 60 HN SER 60 3.879 -8.873 0.202 450 HA SER 60 HA SER 60 2.770 -9.126 2.160 451 HB2 SER 60 HB2 SER 60 3.182 -11.555 1.791 452 HB3 SER 60 HB1 SER 60 4.675 -11.415 2.716 453 HG SER 60 HG SER 60 3.480 -11.737 4.401 454 H SER 61 HN SER 61 3.148 -9.124 4.636 455 HA SER 61 HA SER 61 3.968 -8.035 6.443 456 HB2 SER 61 HB2 SER 61 5.795 -9.706 6.122 457 HB3 SER 61 HB1 SER 61 6.673 -8.514 5.165 458 HG SER 61 HG SER 61 5.799 -7.928 7.786 459 H LEU 62 HN LEU 62 2.905 -6.146 5.512 460 HA LEU 62 HA LEU 62 4.789 -4.145 4.469 461 HB2 LEU 62 HB2 LEU 62 2.935 -4.807 2.973 462 HB3 LEU 62 HB1 LEU 62 1.791 -4.257 4.177 463 HG LEU 62 HG LEU 62 2.619 -1.960 3.923 464 HD11 LEU 62 HD11 LEU 62 4.919 -2.431 3.290 465 HD12 LEU 62 HD12 LEU 62 4.142 -1.414 2.078 466 HD13 LEU 62 HD13 LEU 62 4.373 -3.135 1.767 467 HD21 LEU 62 HD21 LEU 62 0.743 -2.741 2.573 468 HD22 LEU 62 HD22 LEU 62 1.859 -3.279 1.322 469 HD23 LEU 62 HD23 LEU 62 1.713 -1.563 1.695 470 H GLY 63 HN GLY 63 1.797 -4.338 6.408 471 HA2 GLY 63 HA2 GLY 63 2.951 -2.460 8.319 472 HA3 GLY 63 HA1 GLY 63 1.494 -1.945 7.485 473 H GLU 64 HN GLU 64 0.767 -1.849 9.792 474 HA GLU 64 HA GLU 64 0.284 -4.328 11.159 475 HB2 GLU 64 HB2 GLU 64 -0.923 -1.604 11.667 476 HB3 GLU 64 HB1 GLU 64 -0.952 -2.974 12.767 477 HG2 GLU 64 HG2 GLU 64 1.489 -2.867 12.945 478 HG3 GLU 64 HG1 GLU 64 1.493 -1.463 11.876 479 H ALA 65 HN ALA 65 -1.170 -5.730 10.405 480 HA ALA 65 HA ALA 65 -3.372 -4.913 8.761 481 HB1 ALA 65 HB1 ALA 65 -3.937 -7.257 8.659 482 HB2 ALA 65 HB2 ALA 65 -2.839 -7.614 9.993 483 HB3 ALA 65 HB3 ALA 65 -2.196 -7.064 8.445 484 H ILE 66 HN ILE 66 -5.065 -3.919 9.618 485 HA ILE 66 HA ILE 66 -5.953 -4.711 12.309 486 HB ILE 66 HB ILE 66 -7.202 -2.578 12.350 487 HG12 ILE 66 HG12 ILE 66 -5.780 -2.008 9.738 488 HG13 ILE 66 HG11 ILE 66 -7.500 -2.344 9.899 489 HG21 ILE 66 HG21 ILE 66 -4.259 -2.312 11.752 490 HG22 ILE 66 HG22 ILE 66 -4.982 -2.693 13.317 491 HG23 ILE 66 HG23 ILE 66 -5.247 -1.109 12.583 492 HD11 ILE 66 HD11 ILE 66 -6.035 0.009 11.071 493 HD12 ILE 66 HD12 ILE 66 -7.756 -0.324 11.253 494 HD13 ILE 66 HD13 ILE 66 -7.092 0.032 9.660 495 H VAL 67 HN VAL 67 -8.281 -4.779 12.685 496 HA VAL 67 HA VAL 67 -9.672 -5.978 10.411 497 HB VAL 67 HB VAL 67 -10.497 -5.956 13.321 498 HG11 VAL 67 HG11 VAL 67 -12.372 -6.276 11.817 499 HG12 VAL 67 HG12 VAL 67 -12.001 -7.784 12.652 500 HG13 VAL 67 HG13 VAL 67 -11.508 -7.560 10.974 501 HG21 VAL 67 HG21 VAL 67 -9.708 -8.272 13.399 502 HG22 VAL 67 HG22 VAL 67 -8.393 -7.156 13.030 503 HG23 VAL 67 HG23 VAL 67 -9.115 -8.124 11.743 Start of MODEL 28 1 H1 GLY 1 HT1 GLY 1 -4.898 -13.625 9.548 2 H2 GLY 1 HT2 GLY 1 -4.887 -14.764 8.299 3 H3 GLY 1 HT3 GLY 1 -6.172 -13.678 8.441 4 HA2 GLY 1 HA1 GLY 1 -4.742 -11.831 7.931 5 HA3 GLY 1 HA2 GLY 1 -3.366 -12.920 7.869 6 H SER 2 HN SER 2 -6.632 -12.656 6.449 7 HA SER 2 HA SER 2 -5.611 -12.689 3.783 8 HB2 SER 2 HB2 SER 2 -6.774 -14.857 3.164 9 HB3 SER 2 HB1 SER 2 -5.325 -15.049 4.150 10 HG SER 2 HG SER 2 -8.040 -15.216 4.965 11 H HIS 3 HN HIS 3 -7.838 -13.526 2.397 12 HA HIS 3 HA HIS 3 -9.930 -12.961 1.727 13 HB2 HIS 3 HB2 HIS 3 -10.411 -12.576 4.690 14 HB3 HIS 3 HB1 HIS 3 -11.671 -12.632 3.465 15 HD2 HIS 3 HD2 HIS 3 -12.325 -15.151 2.521 16 HE1 HIS 3 HE1 HIS 3 -9.823 -17.227 5.226 17 HE2 HIS 3 HE2 HIS 3 -11.819 -17.415 3.678 18 H MET 4 HN MET 4 -7.908 -10.958 1.778 19 HA MET 4 HA MET 4 -7.580 -8.746 1.444 20 HB2 MET 4 HB2 MET 4 -10.594 -8.687 1.368 21 HB3 MET 4 HB1 MET 4 -9.589 -7.285 1.039 22 HG2 MET 4 HG2 MET 4 -8.541 -8.510 -0.816 23 HG3 MET 4 HG1 MET 4 -9.622 -9.865 -0.508 24 HE1 MET 4 HE1 MET 4 -10.968 -8.312 -3.868 25 HE2 MET 4 HE2 MET 4 -10.344 -9.765 -3.088 26 HE3 MET 4 HE3 MET 4 -9.286 -8.378 -3.345 27 H LEU 5 HN LEU 5 -6.744 -7.474 2.928 28 HA LEU 5 HA LEU 5 -8.376 -6.607 5.147 29 HB2 LEU 5 HB2 LEU 5 -6.728 -7.210 6.872 30 HB3 LEU 5 HB1 LEU 5 -7.489 -8.593 6.131 31 HG LEU 5 HG LEU 5 -5.205 -9.112 6.592 32 HD11 LEU 5 HD11 LEU 5 -4.327 -9.735 4.420 33 HD12 LEU 5 HD12 LEU 5 -5.489 -8.669 3.634 34 HD13 LEU 5 HD13 LEU 5 -6.055 -10.071 4.540 35 HD21 LEU 5 HD21 LEU 5 -4.269 -6.899 6.731 36 HD22 LEU 5 HD22 LEU 5 -4.440 -6.685 4.990 37 HD23 LEU 5 HD23 LEU 5 -3.322 -7.892 5.625 38 H GLN 6 HN GLN 6 -7.450 -4.824 6.324 39 HA GLN 6 HA GLN 6 -5.787 -3.239 4.514 40 HB2 GLN 6 HB2 GLN 6 -8.055 -2.392 5.000 41 HB3 GLN 6 HB1 GLN 6 -7.650 -2.329 6.708 42 HG2 GLN 6 HG2 GLN 6 -6.162 -0.559 6.411 43 HG3 GLN 6 HG1 GLN 6 -6.060 -0.824 4.672 44 HE21 GLN 6 HE21 GLN 6 -7.984 0.492 7.261 45 HE22 GLN 6 HE22 GLN 6 -9.048 1.411 6.257 46 H VAL 7 HN VAL 7 -3.932 -2.351 5.145 47 HA VAL 7 HA VAL 7 -3.031 -2.902 7.887 48 HB VAL 7 HB VAL 7 -0.756 -3.216 7.022 49 HG11 VAL 7 HG11 VAL 7 -1.103 -5.390 5.888 50 HG12 VAL 7 HG12 VAL 7 -2.822 -5.014 5.763 51 HG13 VAL 7 HG13 VAL 7 -2.070 -5.199 7.347 52 HG21 VAL 7 HG21 VAL 7 -2.024 -2.970 4.299 53 HG22 VAL 7 HG22 VAL 7 -0.374 -3.508 4.604 54 HG23 VAL 7 HG23 VAL 7 -0.856 -1.865 5.023 55 H ARG 8 HN ARG 8 -1.694 -1.403 8.841 56 HA ARG 8 HA ARG 8 -1.414 1.176 7.449 57 HB2 ARG 8 HB2 ARG 8 -1.587 0.500 10.385 58 HB3 ARG 8 HB1 ARG 8 -1.017 2.059 9.813 59 HG2 ARG 8 HG2 ARG 8 -3.173 2.384 8.657 60 HG3 ARG 8 HG1 ARG 8 -3.736 0.860 9.344 61 HD2 ARG 8 HD2 ARG 8 -3.554 1.723 11.568 62 HD3 ARG 8 HD1 ARG 8 -2.753 3.182 10.989 63 HE ARG 8 HE ARG 8 -5.470 2.661 10.043 64 HH11 ARG 8 HH11 ARG 8 -3.326 4.456 12.151 65 HH12 ARG 8 HH12 ARG 8 -4.476 5.719 12.453 66 HH21 ARG 8 HH21 ARG 8 -6.985 4.330 10.445 67 HH22 ARG 8 HH22 ARG 8 -6.553 5.646 11.492 68 H ALA 9 HN ALA 9 0.586 1.754 6.882 69 HA ALA 9 HA ALA 9 2.841 0.385 8.189 70 HB1 ALA 9 HB1 ALA 9 3.964 0.182 6.046 71 HB2 ALA 9 HB2 ALA 9 2.595 0.947 5.238 72 HB3 ALA 9 HB3 ALA 9 2.400 -0.632 5.998 73 H THR 10 HN THR 10 4.473 1.670 8.816 74 HA THR 10 HA THR 10 4.437 4.455 7.885 75 HB THR 10 HB THR 10 5.960 4.860 9.867 76 HG1 THR 10 HG1 THR 10 6.633 2.744 10.277 77 HG21 THR 10 HG21 THR 10 4.134 4.822 11.514 78 HG22 THR 10 HG22 THR 10 3.197 3.784 10.439 79 HG23 THR 10 HG23 THR 10 3.588 5.433 9.951 80 H LYS 11 HN LYS 11 5.623 4.451 6.063 81 HA LYS 11 HA LYS 11 8.451 4.328 6.307 82 HB2 LYS 11 HB2 LYS 11 7.956 1.912 6.018 83 HB3 LYS 11 HB1 LYS 11 7.147 2.277 4.500 84 HG2 LYS 11 HG2 LYS 11 9.221 3.089 3.554 85 HG3 LYS 11 HG1 LYS 11 10.047 2.823 5.090 86 HD2 LYS 11 HD2 LYS 11 9.617 0.424 4.904 87 HD3 LYS 11 HD1 LYS 11 8.782 0.692 3.370 88 HE2 LYS 11 HE2 LYS 11 11.072 -0.056 2.991 89 HE3 LYS 11 HE1 LYS 11 10.842 1.589 2.405 90 HZ1 LYS 11 HZ1 LYS 11 12.129 0.815 4.968 91 HZ2 LYS 11 HZ2 LYS 11 11.876 2.403 4.449 92 HZ3 LYS 11 HZ3 LYS 11 12.920 1.392 3.589 93 H ASP 12 HN ASP 12 9.451 5.433 4.597 94 HA ASP 12 HA ASP 12 7.714 6.929 2.835 95 HB2 ASP 12 HB2 ASP 12 10.712 6.866 3.216 96 HB3 ASP 12 HB1 ASP 12 9.941 7.826 1.959 97 H TYR 13 HN TYR 13 7.151 4.493 2.162 98 HA TYR 13 HA TYR 13 9.019 3.275 0.346 99 HB2 TYR 13 HB2 TYR 13 7.404 2.053 1.900 100 HB3 TYR 13 HB1 TYR 13 6.132 2.506 0.771 101 HD1 TYR 13 HD1 TYR 13 9.252 0.551 1.120 102 HD2 TYR 13 HD2 TYR 13 5.804 1.314 -1.244 103 HE1 TYR 13 HE1 TYR 13 9.755 -1.433 -0.242 104 HE2 TYR 13 HE2 TYR 13 6.291 -0.673 -2.607 105 HH TYR 13 HH TYR 13 8.045 -2.142 -3.169 106 H CYS 14 HN CYS 14 9.020 3.348 -1.814 107 HA CYS 14 HA CYS 14 8.671 4.144 -3.905 108 HB2 CYS 14 HB2 CYS 14 6.745 2.587 -3.695 109 HB3 CYS 14 HB1 CYS 14 5.751 3.933 -3.155 110 HG CYS 14 HG CYS 14 5.795 5.304 -5.538 111 H ASN 15 HN ASN 15 9.570 6.174 -2.887 112 HA ASN 15 HA ASN 15 7.606 8.341 -2.817 113 HB2 ASN 15 HB2 ASN 15 9.530 9.727 -1.991 114 HB3 ASN 15 HB1 ASN 15 9.091 8.390 -0.939 115 HD21 ASN 15 HD21 ASN 15 10.537 6.778 -0.560 116 HD22 ASN 15 HD22 ASN 15 12.169 6.811 -1.140 117 H ASN 16 HN ASN 16 8.540 6.922 -5.247 118 HA ASN 16 HA ASN 16 10.118 8.820 -6.725 119 HB2 ASN 16 HB2 ASN 16 8.547 6.403 -7.653 120 HB3 ASN 16 HB1 ASN 16 9.636 7.344 -8.662 121 HD21 ASN 16 HD21 ASN 16 11.851 7.160 -8.372 122 HD22 ASN 16 HD22 ASN 16 12.554 5.879 -7.441 123 H TYR 17 HN TYR 17 9.163 9.485 -8.986 124 HA TYR 17 HA TYR 17 6.972 11.212 -8.470 125 HB2 TYR 17 HB2 TYR 17 8.065 10.414 -11.176 126 HB3 TYR 17 HB1 TYR 17 7.129 11.853 -10.799 127 HD1 TYR 17 HD1 TYR 17 8.243 13.367 -8.885 128 HD2 TYR 17 HD2 TYR 17 10.334 10.656 -11.407 129 HE1 TYR 17 HE1 TYR 17 10.332 14.605 -8.484 130 HE2 TYR 17 HE2 TYR 17 12.421 11.882 -11.010 131 HH TYR 17 HH TYR 17 12.796 14.124 -8.551 132 H ASP 18 HN ASP 18 7.306 8.400 -10.617 133 HA ASP 18 HA ASP 18 4.580 7.616 -9.973 134 HB2 ASP 18 HB2 ASP 18 4.481 9.093 -12.022 135 HB3 ASP 18 HB1 ASP 18 5.435 7.874 -12.859 136 H LEU 19 HN LEU 19 5.027 5.689 -9.166 137 HA LEU 19 HA LEU 19 6.348 3.726 -10.893 138 HB2 LEU 19 HB2 LEU 19 8.048 4.542 -9.312 139 HB3 LEU 19 HB1 LEU 19 6.980 4.192 -7.969 140 HG LEU 19 HG LEU 19 7.095 1.764 -8.627 141 HD11 LEU 19 HD11 LEU 19 8.978 1.077 -10.035 142 HD12 LEU 19 HD12 LEU 19 9.312 2.769 -10.402 143 HD13 LEU 19 HD13 LEU 19 7.798 2.036 -10.929 144 HD21 LEU 19 HD21 LEU 19 8.378 2.651 -6.766 145 HD22 LEU 19 HD22 LEU 19 9.666 3.142 -7.863 146 HD23 LEU 19 HD23 LEU 19 9.312 1.430 -7.631 147 H THR 20 HN THR 20 5.791 1.476 -10.200 148 HA THR 20 HA THR 20 3.162 1.461 -8.908 149 HB THR 20 HB THR 20 3.456 -1.082 -9.767 150 HG1 THR 20 HG1 THR 20 4.620 -1.128 -11.661 151 HG21 THR 20 HG21 THR 20 2.161 -0.420 -11.762 152 HG22 THR 20 HG22 THR 20 2.555 1.270 -11.437 153 HG23 THR 20 HG23 THR 20 1.569 0.357 -10.294 154 H SER 21 HN SER 21 3.551 1.478 -6.856 155 HA SER 21 HA SER 21 4.433 -0.828 -5.473 156 HB2 SER 21 HB2 SER 21 6.210 1.624 -5.487 157 HB3 SER 21 HB1 SER 21 6.249 0.435 -4.188 158 HG SER 21 HG SER 21 6.485 -0.448 -6.841 159 H LEU 22 HN LEU 22 4.222 -0.363 -3.069 160 HA LEU 22 HA LEU 22 1.861 1.075 -2.550 161 HB2 LEU 22 HB2 LEU 22 3.993 0.087 -0.658 162 HB3 LEU 22 HB1 LEU 22 2.454 0.742 -0.145 163 HG LEU 22 HG LEU 22 2.230 -1.593 0.000 164 HD11 LEU 22 HD11 LEU 22 0.523 -2.142 -1.640 165 HD12 LEU 22 HD12 LEU 22 1.020 -0.768 -2.629 166 HD13 LEU 22 HD13 LEU 22 0.320 -0.499 -1.032 167 HD21 LEU 22 HD21 LEU 22 4.215 -2.166 -1.342 168 HD22 LEU 22 HD22 LEU 22 3.290 -1.839 -2.807 169 HD23 LEU 22 HD23 LEU 22 2.811 -3.153 -1.739 170 H ASN 23 HN ASN 23 1.808 3.210 -2.914 171 HA ASN 23 HA ASN 23 4.019 4.954 -2.444 172 HB2 ASN 23 HB2 ASN 23 1.127 5.431 -3.145 173 HB3 ASN 23 HB1 ASN 23 2.208 6.766 -2.776 174 HD21 ASN 23 HD21 ASN 23 3.152 3.832 -4.489 175 HD22 ASN 23 HD22 ASN 23 3.448 4.612 -6.005 176 H VAL 24 HN VAL 24 4.313 4.171 -0.201 177 HA VAL 24 HA VAL 24 2.393 5.198 1.741 178 HB VAL 24 HB VAL 24 4.974 3.758 2.341 179 HG11 VAL 24 HG11 VAL 24 3.842 3.157 4.424 180 HG12 VAL 24 HG12 VAL 24 2.417 4.063 3.912 181 HG13 VAL 24 HG13 VAL 24 3.937 4.906 4.222 182 HG21 VAL 24 HG21 VAL 24 3.711 2.343 0.843 183 HG22 VAL 24 HG22 VAL 24 2.255 2.560 1.816 184 HG23 VAL 24 HG23 VAL 24 3.640 1.688 2.479 185 H LYS 25 HN LYS 25 2.687 7.026 2.850 186 HA LYS 25 HA LYS 25 5.223 8.439 2.434 187 HB2 LYS 25 HB2 LYS 25 3.851 10.505 2.914 188 HB3 LYS 25 HB1 LYS 25 3.477 9.662 1.419 189 HG2 LYS 25 HG2 LYS 25 1.566 8.573 2.598 190 HG3 LYS 25 HG1 LYS 25 1.902 9.619 3.981 191 HD2 LYS 25 HD2 LYS 25 1.615 11.585 2.507 192 HD3 LYS 25 HD1 LYS 25 1.173 10.499 1.191 193 HE2 LYS 25 HE2 LYS 25 -0.731 9.696 2.481 194 HE3 LYS 25 HE1 LYS 25 -0.276 10.748 3.820 195 HZ1 LYS 25 HZ1 LYS 25 -0.527 12.636 2.217 196 HZ2 LYS 25 HZ2 LYS 25 -1.958 11.858 2.649 197 HZ3 LYS 25 HZ3 LYS 25 -1.253 11.546 1.136 198 H ALA 26 HN ALA 26 5.733 6.865 4.271 199 HA ALA 26 HA ALA 26 6.426 6.570 6.406 200 HB1 ALA 26 HB1 ALA 26 6.020 9.546 6.633 201 HB2 ALA 26 HB2 ALA 26 7.465 8.754 5.999 202 HB3 ALA 26 HB3 ALA 26 7.010 8.537 7.690 203 H GLY 27 HN GLY 27 3.716 6.073 5.948 204 HA2 GLY 27 HA2 GLY 27 2.433 5.251 7.943 205 HA3 GLY 27 HA1 GLY 27 2.512 6.918 8.506 206 H ASP 28 HN ASP 28 1.065 4.711 6.255 207 HA ASP 28 HA ASP 28 -1.110 6.582 5.815 208 HB2 ASP 28 HB2 ASP 28 0.761 6.884 4.034 209 HB3 ASP 28 HB1 ASP 28 0.166 5.363 3.380 210 H ILE 29 HN ILE 29 -2.621 5.285 4.013 211 HA ILE 29 HA ILE 29 -3.203 2.846 5.549 212 HB ILE 29 HB ILE 29 -5.045 4.601 3.924 213 HG12 ILE 29 HG12 ILE 29 -4.303 5.690 5.976 214 HG13 ILE 29 HG11 ILE 29 -6.000 5.242 6.098 215 HG21 ILE 29 HG21 ILE 29 -6.862 3.278 4.870 216 HG22 ILE 29 HG22 ILE 29 -5.689 2.228 5.662 217 HG23 ILE 29 HG23 ILE 29 -5.775 2.283 3.901 218 HD11 ILE 29 HD11 ILE 29 -4.890 4.785 8.170 219 HD12 ILE 29 HD12 ILE 29 -3.663 3.824 7.348 220 HD13 ILE 29 HD13 ILE 29 -5.332 3.257 7.407 221 H ILE 30 HN ILE 30 -3.035 0.924 4.585 222 HA ILE 30 HA ILE 30 -3.145 0.841 1.630 223 HB ILE 30 HB ILE 30 -1.599 -1.111 3.313 224 HG12 ILE 30 HG12 ILE 30 -0.505 1.386 2.003 225 HG13 ILE 30 HG11 ILE 30 -0.734 1.177 3.736 226 HG21 ILE 30 HG21 ILE 30 -2.146 -1.817 1.060 227 HG22 ILE 30 HG22 ILE 30 -0.413 -1.512 1.197 228 HG23 ILE 30 HG23 ILE 30 -1.457 -0.331 0.405 229 HD11 ILE 30 HD11 ILE 30 0.865 -0.679 3.704 230 HD12 ILE 30 HD12 ILE 30 1.578 0.831 3.141 231 HD13 ILE 30 HD13 ILE 30 1.117 -0.411 1.979 232 H THR 31 HN THR 31 -4.688 -0.476 0.811 233 HA THR 31 HA THR 31 -5.858 -2.515 2.586 234 HB THR 31 HB THR 31 -6.950 -1.561 -0.067 235 HG1 THR 31 HG1 THR 31 -7.342 -0.605 2.577 236 HG21 THR 31 HG21 THR 31 -7.744 -3.760 0.671 237 HG22 THR 31 HG22 THR 31 -9.035 -2.562 0.737 238 HG23 THR 31 HG23 THR 31 -8.227 -3.068 2.220 239 H VAL 32 HN VAL 32 -5.030 -4.521 2.325 240 HA VAL 32 HA VAL 32 -3.831 -5.123 -0.297 241 HB VAL 32 HB VAL 32 -2.148 -6.445 0.758 242 HG11 VAL 32 HG11 VAL 32 -1.682 -4.073 0.672 243 HG12 VAL 32 HG12 VAL 32 -0.988 -4.774 2.135 244 HG13 VAL 32 HG13 VAL 32 -2.480 -3.836 2.226 245 HG21 VAL 32 HG21 VAL 32 -1.987 -6.737 3.177 246 HG22 VAL 32 HG22 VAL 32 -3.479 -7.433 2.541 247 HG23 VAL 32 HG23 VAL 32 -3.516 -5.883 3.382 248 H LEU 33 HN LEU 33 -3.737 -7.372 -0.898 249 HA LEU 33 HA LEU 33 -5.882 -8.971 0.287 250 HB2 LEU 33 HB2 LEU 33 -6.294 -9.918 -2.032 251 HB3 LEU 33 HB1 LEU 33 -6.897 -8.317 -1.700 252 HG LEU 33 HG LEU 33 -5.975 -8.650 -3.990 253 HD11 LEU 33 HD11 LEU 33 -4.789 -6.538 -4.094 254 HD12 LEU 33 HD12 LEU 33 -4.591 -6.548 -2.342 255 HD13 LEU 33 HD13 LEU 33 -6.204 -6.426 -3.048 256 HD21 LEU 33 HD21 LEU 33 -3.608 -8.728 -4.364 257 HD22 LEU 33 HD22 LEU 33 -4.087 -10.096 -3.361 258 HD23 LEU 33 HD23 LEU 33 -3.293 -8.703 -2.628 259 H GLU 34 HN GLU 34 -5.685 -11.330 -0.374 260 HA GLU 34 HA GLU 34 -2.896 -12.073 0.138 261 HB2 GLU 34 HB2 GLU 34 -4.183 -12.873 1.903 262 HB3 GLU 34 HB1 GLU 34 -5.552 -13.252 0.870 263 HG2 GLU 34 HG2 GLU 34 -4.617 -15.294 1.645 264 HG3 GLU 34 HG1 GLU 34 -4.251 -15.142 -0.071 265 H GLN 35 HN GLN 35 -1.853 -12.633 -1.615 266 HA GLN 35 HA GLN 35 -3.212 -14.208 -3.689 267 HB2 GLN 35 HB2 GLN 35 -0.630 -12.632 -3.796 268 HB3 GLN 35 HB1 GLN 35 -1.235 -13.631 -5.110 269 HG2 GLN 35 HG2 GLN 35 -2.633 -11.233 -3.955 270 HG3 GLN 35 HG1 GLN 35 -1.694 -11.252 -5.443 271 HE21 GLN 35 HE21 GLN 35 -2.508 -12.322 -7.248 272 HE22 GLN 35 HE22 GLN 35 -4.183 -12.729 -7.387 273 H HIS 36 HN HIS 36 0.169 -13.969 -2.695 274 HA HIS 36 HA HIS 36 0.200 -16.703 -1.729 275 HB2 HIS 36 HB2 HIS 36 1.817 -15.791 -4.118 276 HB3 HIS 36 HB1 HIS 36 2.216 -17.224 -3.178 277 HD2 HIS 36 HD2 HIS 36 0.155 -19.251 -3.263 278 HE1 HIS 36 HE1 HIS 36 -1.364 -17.788 -6.925 279 HE2 HIS 36 HE2 HIS 36 -1.532 -19.626 -5.193 280 HA PRO 37 HA PRO 37 2.725 -14.185 1.044 281 HB2 PRO 37 HB2 PRO 37 3.035 -16.770 2.439 282 HB3 PRO 37 HB1 PRO 37 2.436 -15.226 3.053 283 HG2 PRO 37 HG2 PRO 37 0.783 -17.283 2.599 284 HG3 PRO 37 HG1 PRO 37 0.287 -15.609 2.297 285 HD2 PRO 37 HD2 PRO 37 1.139 -17.718 0.352 286 HD3 PRO 37 HD1 PRO 37 -0.139 -16.493 0.207 287 H ASP 38 HN ASP 38 3.555 -17.156 -0.540 288 HA ASP 38 HA ASP 38 6.363 -17.017 0.133 289 HB2 ASP 38 HB2 ASP 38 6.599 -18.964 -1.310 290 HB3 ASP 38 HB1 ASP 38 5.228 -19.192 -0.230 291 H GLY 39 HN GLY 39 4.350 -15.415 -1.956 292 HA2 GLY 39 HA2 GLY 39 6.592 -14.769 -3.758 293 HA3 GLY 39 HA1 GLY 39 4.938 -14.928 -4.334 294 H ARG 40 HN ARG 40 3.717 -13.149 -4.401 295 HA ARG 40 HA ARG 40 4.490 -10.844 -2.772 296 HB2 ARG 40 HB2 ARG 40 4.058 -10.801 -5.759 297 HB3 ARG 40 HB1 ARG 40 4.172 -9.365 -4.754 298 HG2 ARG 40 HG2 ARG 40 6.447 -9.896 -4.175 299 HG3 ARG 40 HG1 ARG 40 6.346 -11.421 -5.062 300 HD2 ARG 40 HD2 ARG 40 6.070 -8.665 -6.253 301 HD3 ARG 40 HD1 ARG 40 7.503 -9.687 -6.352 302 HE ARG 40 HE ARG 40 5.253 -11.076 -7.348 303 HH11 ARG 40 HH11 ARG 40 7.441 -8.475 -8.197 304 HH12 ARG 40 HH12 ARG 40 7.263 -8.711 -9.904 305 HH21 ARG 40 HH21 ARG 40 5.026 -11.394 -9.596 306 HH22 ARG 40 HH22 ARG 40 5.899 -10.379 -10.698 307 H TRP 41 HN TRP 41 2.872 -9.447 -2.286 308 HA TRP 41 HA TRP 41 0.139 -10.218 -3.050 309 HB2 TRP 41 HB2 TRP 41 1.201 -8.734 -0.644 310 HB3 TRP 41 HB1 TRP 41 -0.506 -8.810 -1.045 311 HD1 TRP 41 HD1 TRP 41 0.889 -12.117 -1.795 312 HE1 TRP 41 HE1 TRP 41 0.427 -13.751 0.144 313 HE3 TRP 41 HE3 TRP 41 -0.492 -8.750 1.784 314 HZ2 TRP 41 HZ2 TRP 41 -0.399 -13.616 2.842 315 HZ3 TRP 41 HZ3 TRP 41 -1.101 -9.574 4.012 316 HH2 TRP 41 HH2 TRP 41 -1.058 -11.959 4.534 317 H LYS 42 HN LYS 42 -1.356 -8.432 -3.374 318 HA LYS 42 HA LYS 42 -0.047 -6.015 -4.412 319 HB2 LYS 42 HB2 LYS 42 -2.839 -7.052 -4.950 320 HB3 LYS 42 HB1 LYS 42 -2.132 -5.609 -5.650 321 HG2 LYS 42 HG2 LYS 42 -1.108 -8.405 -6.086 322 HG3 LYS 42 HG1 LYS 42 -2.161 -7.525 -7.193 323 HD2 LYS 42 HD2 LYS 42 -0.390 -5.746 -7.304 324 HD3 LYS 42 HD1 LYS 42 0.663 -6.834 -6.398 325 HE2 LYS 42 HE2 LYS 42 0.401 -8.524 -8.170 326 HE3 LYS 42 HE1 LYS 42 -0.601 -7.395 -9.079 327 HZ1 LYS 42 HZ1 LYS 42 1.600 -7.308 -9.936 328 HZ2 LYS 42 HZ2 LYS 42 2.266 -7.085 -8.399 329 HZ3 LYS 42 HZ3 LYS 42 1.327 -5.866 -9.098 330 H GLY 43 HN GLY 43 -0.786 -3.990 -3.736 331 HA2 GLY 43 HA2 GLY 43 -2.885 -3.950 -1.689 332 HA3 GLY 43 HA1 GLY 43 -1.303 -3.307 -1.270 333 H CYS 44 HN CYS 44 -4.042 -2.104 -1.600 334 HA CYS 44 HA CYS 44 -3.380 -0.080 -3.625 335 HB2 CYS 44 HB2 CYS 44 -6.015 -0.615 -2.248 336 HB3 CYS 44 HB1 CYS 44 -5.740 0.526 -3.561 337 HG CYS 44 HG CYS 44 -4.652 -2.074 -4.907 338 H ILE 45 HN ILE 45 -3.262 2.067 -3.095 339 HA ILE 45 HA ILE 45 -2.843 2.577 -0.235 340 HB ILE 45 HB ILE 45 -1.847 4.090 -2.658 341 HG12 ILE 45 HG12 ILE 45 -0.791 1.885 -2.356 342 HG13 ILE 45 HG11 ILE 45 0.346 3.202 -2.082 343 HG21 ILE 45 HG21 ILE 45 -0.460 5.351 -1.094 344 HG22 ILE 45 HG22 ILE 45 -1.204 4.498 0.259 345 HG23 ILE 45 HG23 ILE 45 -2.178 5.570 -0.748 346 HD11 ILE 45 HD11 ILE 45 0.636 1.438 -0.452 347 HD12 ILE 45 HD12 ILE 45 -1.045 1.601 0.046 348 HD13 ILE 45 HD13 ILE 45 0.090 2.922 0.325 349 H HIS 46 HN HIS 46 -4.116 3.935 0.841 350 HA HIS 46 HA HIS 46 -5.910 5.678 -0.716 351 HB2 HIS 46 HB2 HIS 46 -6.084 4.834 2.189 352 HB3 HIS 46 HB1 HIS 46 -7.226 5.889 1.369 353 HD2 HIS 46 HD2 HIS 46 -6.020 2.148 1.011 354 HE1 HIS 46 HE1 HIS 46 -10.085 2.492 -0.105 355 HE2 HIS 46 HE2 HIS 46 -8.221 0.880 0.500 356 H ASP 47 HN ASP 47 -4.810 7.491 -1.084 357 HA ASP 47 HA ASP 47 -2.849 8.544 0.668 358 HB2 ASP 47 HB2 ASP 47 -2.533 9.057 -1.599 359 HB3 ASP 47 HB1 ASP 47 -4.205 9.566 -1.809 360 H ASN 48 HN ASN 48 -3.378 9.264 2.587 361 HA ASN 48 HA ASN 48 -5.773 10.751 3.131 362 HB2 ASN 48 HB2 ASN 48 -3.271 10.278 4.769 363 HB3 ASN 48 HB1 ASN 48 -4.683 11.141 5.365 364 HD21 ASN 48 HD21 ASN 48 -3.411 8.042 4.375 365 HD22 ASN 48 HD22 ASN 48 -4.688 7.096 5.071 366 H ARG 49 HN ARG 49 -5.490 12.372 1.457 367 HA ARG 49 HA ARG 49 -4.452 14.808 2.437 368 HB2 ARG 49 HB2 ARG 49 -2.285 13.831 1.821 369 HB3 ARG 49 HB1 ARG 49 -2.871 13.540 0.192 370 HG2 ARG 49 HG2 ARG 49 -3.171 15.998 -0.068 371 HG3 ARG 49 HG1 ARG 49 -2.391 16.207 1.501 372 HD2 ARG 49 HD2 ARG 49 -1.154 14.828 -0.877 373 HD3 ARG 49 HD1 ARG 49 -0.837 16.494 -0.402 374 HE ARG 49 HE ARG 49 -0.128 15.315 1.819 375 HH11 ARG 49 HH11 ARG 49 0.413 14.157 -1.435 376 HH12 ARG 49 HH12 ARG 49 1.906 13.366 -1.041 377 HH21 ARG 49 HH21 ARG 49 1.843 14.276 2.344 378 HH22 ARG 49 HH22 ARG 49 2.728 13.441 1.102 379 H THR 50 HN THR 50 -4.548 13.418 -0.836 380 HA THR 50 HA THR 50 -6.524 15.485 -1.556 381 HB THR 50 HB THR 50 -4.694 13.969 -3.427 382 HG1 THR 50 HG1 THR 50 -4.330 16.336 -1.938 383 HG21 THR 50 HG21 THR 50 -6.289 16.510 -3.798 384 HG22 THR 50 HG22 THR 50 -6.686 14.934 -4.484 385 HG23 THR 50 HG23 THR 50 -5.223 15.775 -4.996 386 H GLY 51 HN GLY 51 -5.907 12.107 -1.327 387 HA2 GLY 51 HA2 GLY 51 -7.721 10.540 -1.339 388 HA3 GLY 51 HA1 GLY 51 -8.545 11.562 -2.509 389 H ASN 52 HN ASN 52 -5.175 10.947 -2.870 390 HA ASN 52 HA ASN 52 -5.448 9.848 -5.454 391 HB2 ASN 52 HB2 ASN 52 -3.087 9.811 -3.562 392 HB3 ASN 52 HB1 ASN 52 -3.016 9.320 -5.248 393 HD21 ASN 52 HD21 ASN 52 -3.246 11.990 -3.039 394 HD22 ASN 52 HD22 ASN 52 -2.968 13.232 -4.216 395 H ASP 53 HN ASP 53 -5.367 7.763 -6.195 396 HA ASP 53 HA ASP 53 -5.288 5.620 -4.175 397 HB2 ASP 53 HB2 ASP 53 -7.624 6.111 -4.874 398 HB3 ASP 53 HB1 ASP 53 -7.172 5.767 -6.539 399 H ARG 54 HN ARG 54 -3.467 4.528 -4.618 400 HA ARG 54 HA ARG 54 -3.006 3.747 -7.415 401 HB2 ARG 54 HB2 ARG 54 -0.912 4.633 -5.422 402 HB3 ARG 54 HB1 ARG 54 -0.545 3.865 -6.959 403 HG2 ARG 54 HG2 ARG 54 -1.809 5.761 -8.057 404 HG3 ARG 54 HG1 ARG 54 -1.789 6.556 -6.481 405 HD2 ARG 54 HD2 ARG 54 0.057 7.345 -7.843 406 HD3 ARG 54 HD1 ARG 54 0.665 6.428 -6.466 407 HE ARG 54 HE ARG 54 0.955 4.538 -8.034 408 HH11 ARG 54 HH11 ARG 54 0.819 7.800 -9.305 409 HH12 ARG 54 HH12 ARG 54 1.668 7.399 -10.768 410 HH21 ARG 54 HH21 ARG 54 2.078 4.019 -9.935 411 HH22 ARG 54 HH22 ARG 54 2.388 5.250 -11.121 412 H VAL 55 HN VAL 55 -1.907 1.734 -7.709 413 HA VAL 55 HA VAL 55 -2.153 -0.050 -5.384 414 HB VAL 55 HB VAL 55 -3.697 -0.610 -7.212 415 HG11 VAL 55 HG11 VAL 55 -2.478 0.234 -9.109 416 HG12 VAL 55 HG12 VAL 55 -2.821 -1.480 -9.347 417 HG13 VAL 55 HG13 VAL 55 -1.204 -0.962 -8.867 418 HG21 VAL 55 HG21 VAL 55 -2.881 -2.418 -5.811 419 HG22 VAL 55 HG22 VAL 55 -1.482 -2.627 -6.864 420 HG23 VAL 55 HG23 VAL 55 -3.100 -2.979 -7.468 421 H GLY 56 HN GLY 56 -0.502 -1.470 -4.908 422 HA2 GLY 56 HA2 GLY 56 1.898 -1.406 -6.591 423 HA3 GLY 56 HA1 GLY 56 2.048 -0.933 -4.904 424 H TYR 57 HN TYR 57 3.518 -3.028 -5.878 425 HA TYR 57 HA TYR 57 2.178 -5.366 -4.704 426 HB2 TYR 57 HB2 TYR 57 3.976 -6.662 -6.018 427 HB3 TYR 57 HB1 TYR 57 2.634 -5.974 -6.923 428 HD1 TYR 57 HD1 TYR 57 3.011 -4.346 -8.621 429 HD2 TYR 57 HD2 TYR 57 6.201 -5.537 -6.074 430 HE1 TYR 57 HE1 TYR 57 4.611 -3.186 -10.087 431 HE2 TYR 57 HE2 TYR 57 7.807 -4.380 -7.525 432 HH TYR 57 HH TYR 57 7.938 -3.661 -9.913 433 H PHE 58 HN PHE 58 3.295 -6.624 -3.228 434 HA PHE 58 HA PHE 58 5.962 -5.810 -2.383 435 HB2 PHE 58 HB2 PHE 58 5.302 -5.407 -0.056 436 HB3 PHE 58 HB1 PHE 58 4.473 -4.287 -1.129 437 HD1 PHE 58 HD1 PHE 58 2.083 -4.918 -1.842 438 HD2 PHE 58 HD2 PHE 58 4.088 -6.655 1.486 439 HE1 PHE 58 HE1 PHE 58 -0.077 -5.607 -0.899 440 HE2 PHE 58 HE2 PHE 58 1.929 -7.343 2.432 441 HZ PHE 58 HZ PHE 58 -0.141 -6.803 1.287 442 HA PRO 59 HA PRO 59 6.499 -10.075 -1.410 443 HB2 PRO 59 HB2 PRO 59 7.176 -9.409 1.412 444 HB3 PRO 59 HB1 PRO 59 8.092 -10.339 0.222 445 HG2 PRO 59 HG2 PRO 59 8.817 -7.856 0.855 446 HG3 PRO 59 HG1 PRO 59 8.927 -8.442 -0.815 447 HD2 PRO 59 HD2 PRO 59 6.906 -6.627 0.430 448 HD3 PRO 59 HD1 PRO 59 7.620 -6.574 -1.193 449 H SER 60 HN SER 60 5.475 -8.930 1.796 450 HA SER 60 HA SER 60 2.787 -9.683 1.640 451 HB2 SER 60 HB2 SER 60 2.964 -11.735 3.181 452 HB3 SER 60 HB1 SER 60 3.377 -11.974 1.482 453 HG SER 60 HG SER 60 5.529 -11.970 2.000 454 H SER 61 HN SER 61 1.690 -9.013 3.446 455 HA SER 61 HA SER 61 1.310 -7.772 5.305 456 HB2 SER 61 HB2 SER 61 3.537 -9.519 6.367 457 HB3 SER 61 HB1 SER 61 2.394 -8.607 7.354 458 HG SER 61 HG SER 61 1.909 -10.917 6.899 459 H LEU 62 HN LEU 62 2.319 -5.984 3.925 460 HA LEU 62 HA LEU 62 4.929 -5.055 4.586 461 HB2 LEU 62 HB2 LEU 62 3.749 -4.521 2.465 462 HB3 LEU 62 HB1 LEU 62 2.629 -3.524 3.372 463 HG LEU 62 HG LEU 62 4.575 -2.106 4.081 464 HD11 LEU 62 HD11 LEU 62 6.349 -3.735 3.735 465 HD12 LEU 62 HD12 LEU 62 6.639 -2.279 2.785 466 HD13 LEU 62 HD13 LEU 62 6.028 -3.734 2.000 467 HD21 LEU 62 HD21 LEU 62 4.754 -0.939 1.947 468 HD22 LEU 62 HD22 LEU 62 3.092 -1.436 2.267 469 HD23 LEU 62 HD23 LEU 62 4.078 -2.341 1.117 470 H GLY 63 HN GLY 63 1.668 -4.026 5.503 471 HA2 GLY 63 HA2 GLY 63 2.846 -2.465 7.706 472 HA3 GLY 63 HA1 GLY 63 1.282 -2.136 6.971 473 H GLU 64 HN GLU 64 0.851 -2.191 9.413 474 HA GLU 64 HA GLU 64 0.528 -4.897 10.445 475 HB2 GLU 64 HB2 GLU 64 -0.132 -2.235 11.720 476 HB3 GLU 64 HB1 GLU 64 -0.162 -3.799 12.522 477 HG2 GLU 64 HG2 GLU 64 2.239 -4.033 12.164 478 HG3 GLU 64 HG1 GLU 64 2.273 -2.467 11.357 479 H ALA 65 HN ALA 65 -1.320 -5.993 10.325 480 HA ALA 65 HA ALA 65 -3.460 -4.932 8.775 481 HB1 ALA 65 HB1 ALA 65 -2.765 -7.285 8.638 482 HB2 ALA 65 HB2 ALA 65 -4.482 -7.109 9.004 483 HB3 ALA 65 HB3 ALA 65 -3.345 -7.536 10.285 484 H ILE 66 HN ILE 66 -5.044 -3.738 9.452 485 HA ILE 66 HA ILE 66 -5.864 -3.883 12.272 486 HB ILE 66 HB ILE 66 -7.007 -1.719 11.854 487 HG12 ILE 66 HG12 ILE 66 -5.603 -1.855 9.175 488 HG13 ILE 66 HG11 ILE 66 -7.340 -1.958 9.427 489 HG21 ILE 66 HG21 ILE 66 -4.057 -1.800 11.240 490 HG22 ILE 66 HG22 ILE 66 -4.803 -1.736 12.836 491 HG23 ILE 66 HG23 ILE 66 -4.948 -0.363 11.739 492 HD11 ILE 66 HD11 ILE 66 -5.608 0.419 10.050 493 HD12 ILE 66 HD12 ILE 66 -7.351 0.317 10.288 494 HD13 ILE 66 HD13 ILE 66 -6.677 0.245 8.660 495 H VAL 67 HN VAL 67 -6.768 -4.715 9.127 496 HA VAL 67 HA VAL 67 -8.589 -5.668 8.181 497 HB VAL 67 HB VAL 67 -9.433 -6.275 11.020 498 HG11 VAL 67 HG11 VAL 67 -11.223 -6.625 9.411 499 HG12 VAL 67 HG12 VAL 67 -10.620 -8.172 10.002 500 HG13 VAL 67 HG13 VAL 67 -10.152 -7.598 8.403 501 HG21 VAL 67 HG21 VAL 67 -7.164 -7.060 10.605 502 HG22 VAL 67 HG22 VAL 67 -7.704 -7.879 9.139 503 HG23 VAL 67 HG23 VAL 67 -8.284 -8.417 10.715 Start of MODEL 29 1 H1 GLY 1 HT1 GLY 1 -3.131 -17.114 5.114 2 H2 GLY 1 HT2 GLY 1 -4.716 -16.827 5.620 3 H3 GLY 1 HT3 GLY 1 -3.965 -15.752 4.550 4 HA2 GLY 1 HA1 GLY 1 -3.844 -17.515 2.874 5 HA3 GLY 1 HA2 GLY 1 -4.718 -18.563 3.982 6 H SER 2 HN SER 2 -4.938 -16.116 1.624 7 HA SER 2 HA SER 2 -6.652 -15.111 0.540 8 HB2 SER 2 HB2 SER 2 -8.357 -17.296 1.754 9 HB3 SER 2 HB1 SER 2 -8.721 -16.350 0.312 10 HG SER 2 HG SER 2 -6.726 -18.316 0.686 11 H HIS 3 HN HIS 3 -6.027 -14.130 3.184 12 HA HIS 3 HA HIS 3 -8.526 -13.637 4.534 13 HB2 HIS 3 HB2 HIS 3 -6.269 -13.868 5.672 14 HB3 HIS 3 HB1 HIS 3 -5.881 -12.266 5.052 15 HD2 HIS 3 HD2 HIS 3 -7.822 -10.243 6.005 16 HE1 HIS 3 HE1 HIS 3 -8.446 -12.448 9.559 17 HE2 HIS 3 HE2 HIS 3 -8.995 -10.310 8.319 18 H MET 4 HN MET 4 -6.125 -11.456 3.029 19 HA MET 4 HA MET 4 -6.282 -9.387 2.118 20 HB2 MET 4 HB2 MET 4 -7.971 -10.198 0.598 21 HB3 MET 4 HB1 MET 4 -9.208 -10.097 1.846 22 HG2 MET 4 HG2 MET 4 -9.066 -7.692 1.854 23 HG3 MET 4 HG1 MET 4 -7.725 -7.732 0.712 24 HE1 MET 4 HE1 MET 4 -9.023 -5.973 -0.806 25 HE2 MET 4 HE2 MET 4 -10.376 -5.965 0.326 26 HE3 MET 4 HE3 MET 4 -10.669 -6.214 -1.394 27 H LEU 5 HN LEU 5 -5.949 -7.631 3.319 28 HA LEU 5 HA LEU 5 -7.861 -6.881 5.335 29 HB2 LEU 5 HB2 LEU 5 -6.088 -6.890 7.157 30 HB3 LEU 5 HB1 LEU 5 -6.830 -8.411 6.736 31 HG LEU 5 HG LEU 5 -4.413 -8.569 7.247 32 HD11 LEU 5 HD11 LEU 5 -5.132 -9.318 4.426 33 HD12 LEU 5 HD12 LEU 5 -5.409 -10.282 5.877 34 HD13 LEU 5 HD13 LEU 5 -3.761 -9.947 5.339 35 HD21 LEU 5 HD21 LEU 5 -2.767 -7.786 5.623 36 HD22 LEU 5 HD22 LEU 5 -3.645 -6.457 6.379 37 HD23 LEU 5 HD23 LEU 5 -4.047 -6.957 4.738 38 H GLN 6 HN GLN 6 -7.144 -4.975 6.585 39 HA GLN 6 HA GLN 6 -5.840 -3.090 4.767 40 HB2 GLN 6 HB2 GLN 6 -8.145 -2.585 5.430 41 HB3 GLN 6 HB1 GLN 6 -7.687 -2.665 7.124 42 HG2 GLN 6 HG2 GLN 6 -6.177 -0.739 6.752 43 HG3 GLN 6 HG1 GLN 6 -6.789 -0.630 5.103 44 HE21 GLN 6 HE21 GLN 6 -8.778 -1.507 7.853 45 HE22 GLN 6 HE22 GLN 6 -9.729 -0.058 7.848 46 H VAL 7 HN VAL 7 -3.901 -2.333 5.255 47 HA VAL 7 HA VAL 7 -2.905 -2.730 7.994 48 HB VAL 7 HB VAL 7 -0.641 -2.861 7.081 49 HG11 VAL 7 HG11 VAL 7 -2.557 -4.783 5.775 50 HG12 VAL 7 HG12 VAL 7 -1.842 -4.933 7.380 51 HG13 VAL 7 HG13 VAL 7 -0.821 -5.032 5.948 52 HG21 VAL 7 HG21 VAL 7 -0.931 -1.471 5.100 53 HG22 VAL 7 HG22 VAL 7 -1.950 -2.713 4.367 54 HG23 VAL 7 HG23 VAL 7 -0.244 -3.039 4.677 55 H ARG 8 HN ARG 8 -1.859 -1.099 9.004 56 HA ARG 8 HA ARG 8 -1.736 1.496 7.624 57 HB2 ARG 8 HB2 ARG 8 -1.559 0.853 10.580 58 HB3 ARG 8 HB1 ARG 8 -1.473 2.467 9.885 59 HG2 ARG 8 HG2 ARG 8 -3.760 2.178 9.012 60 HG3 ARG 8 HG1 ARG 8 -3.838 0.606 9.809 61 HD2 ARG 8 HD2 ARG 8 -4.922 2.292 11.173 62 HD3 ARG 8 HD1 ARG 8 -3.467 1.701 11.972 63 HE ARG 8 HE ARG 8 -3.491 4.235 10.462 64 HH11 ARG 8 HH11 ARG 8 -2.767 2.401 13.357 65 HH12 ARG 8 HH12 ARG 8 -1.998 3.736 14.153 66 HH21 ARG 8 HH21 ARG 8 -2.473 5.983 11.515 67 HH22 ARG 8 HH22 ARG 8 -1.835 5.769 13.116 68 H ALA 9 HN ALA 9 0.197 1.988 6.818 69 HA ALA 9 HA ALA 9 2.530 0.599 7.963 70 HB1 ALA 9 HB1 ALA 9 3.551 0.735 5.757 71 HB2 ALA 9 HB2 ALA 9 2.132 1.584 5.143 72 HB3 ALA 9 HB3 ALA 9 1.994 -0.088 5.683 73 H THR 10 HN THR 10 4.223 1.725 8.661 74 HA THR 10 HA THR 10 4.226 4.620 8.162 75 HB THR 10 HB THR 10 5.834 4.578 10.208 76 HG1 THR 10 HG1 THR 10 4.363 2.361 11.060 77 HG21 THR 10 HG21 THR 10 3.624 5.607 10.258 78 HG22 THR 10 HG22 THR 10 3.926 4.731 11.760 79 HG23 THR 10 HG23 THR 10 2.880 4.030 10.524 80 H LYS 11 HN LYS 11 5.415 4.763 6.342 81 HA LYS 11 HA LYS 11 8.233 4.615 6.592 82 HB2 LYS 11 HB2 LYS 11 7.741 2.225 6.099 83 HB3 LYS 11 HB1 LYS 11 6.938 2.714 4.615 84 HG2 LYS 11 HG2 LYS 11 9.003 3.525 3.698 85 HG3 LYS 11 HG1 LYS 11 9.840 3.244 5.224 86 HD2 LYS 11 HD2 LYS 11 9.368 0.829 4.995 87 HD3 LYS 11 HD1 LYS 11 8.624 1.148 3.427 88 HE2 LYS 11 HE2 LYS 11 10.916 0.369 3.150 89 HE3 LYS 11 HE1 LYS 11 10.751 2.034 2.599 90 HZ1 LYS 11 HZ1 LYS 11 11.740 2.801 4.644 91 HZ2 LYS 11 HZ2 LYS 11 12.764 1.670 3.919 92 HZ3 LYS 11 HZ3 LYS 11 11.823 1.223 5.250 93 H ASP 12 HN ASP 12 9.260 5.743 4.871 94 HA ASP 12 HA ASP 12 7.441 7.199 3.105 95 HB2 ASP 12 HB2 ASP 12 9.166 8.475 4.359 96 HB3 ASP 12 HB1 ASP 12 10.420 7.552 3.537 97 H TYR 13 HN TYR 13 6.893 5.633 1.616 98 HA TYR 13 HA TYR 13 9.104 4.290 0.206 99 HB2 TYR 13 HB2 TYR 13 7.548 2.886 1.644 100 HB3 TYR 13 HB1 TYR 13 6.274 3.281 0.502 101 HD1 TYR 13 HD1 TYR 13 9.702 1.806 0.608 102 HD2 TYR 13 HD2 TYR 13 5.894 1.858 -1.285 103 HE1 TYR 13 HE1 TYR 13 10.383 -0.092 -0.799 104 HE2 TYR 13 HE2 TYR 13 6.562 -0.044 -2.692 105 HH TYR 13 HH TYR 13 8.699 -1.041 -3.542 106 H CYS 14 HN CYS 14 8.567 3.667 -2.054 107 HA CYS 14 HA CYS 14 7.926 4.109 -4.178 108 HB2 CYS 14 HB2 CYS 14 5.610 3.926 -3.204 109 HB3 CYS 14 HB1 CYS 14 5.616 5.673 -3.015 110 HG CYS 14 HG CYS 14 6.316 5.642 -6.002 111 H ASN 15 HN ASN 15 9.927 5.369 -4.012 112 HA ASN 15 HA ASN 15 9.414 8.187 -4.652 113 HB2 ASN 15 HB2 ASN 15 10.236 8.025 -2.305 114 HB3 ASN 15 HB1 ASN 15 11.687 7.225 -2.897 115 HD21 ASN 15 HD21 ASN 15 13.062 8.793 -2.150 116 HD22 ASN 15 HD22 ASN 15 13.153 10.374 -2.844 117 H ASN 16 HN ASN 16 9.578 6.520 -6.641 118 HA ASN 16 HA ASN 16 12.346 6.722 -7.637 119 HB2 ASN 16 HB2 ASN 16 10.239 4.627 -8.180 120 HB3 ASN 16 HB1 ASN 16 11.652 4.828 -9.209 121 HD21 ASN 16 HD21 ASN 16 12.455 2.788 -8.739 122 HD22 ASN 16 HD22 ASN 16 13.128 2.392 -7.196 123 H TYR 17 HN TYR 17 12.197 6.598 -10.238 124 HA TYR 17 HA TYR 17 10.882 8.976 -11.025 125 HB2 TYR 17 HB2 TYR 17 12.100 6.780 -12.711 126 HB3 TYR 17 HB1 TYR 17 11.554 8.330 -13.336 127 HD1 TYR 17 HD1 TYR 17 12.688 10.440 -12.468 128 HD2 TYR 17 HD2 TYR 17 14.242 6.538 -11.800 129 HE1 TYR 17 HE1 TYR 17 14.894 11.407 -11.978 130 HE2 TYR 17 HE2 TYR 17 16.447 7.495 -11.310 131 HH TYR 17 HH TYR 17 17.722 9.530 -11.785 132 H ASP 18 HN ASP 18 10.348 5.669 -12.231 133 HA ASP 18 HA ASP 18 7.480 6.095 -11.965 134 HB2 ASP 18 HB2 ASP 18 7.932 6.723 -14.285 135 HB3 ASP 18 HB1 ASP 18 8.746 5.182 -14.552 136 H LEU 19 HN LEU 19 7.069 4.556 -10.545 137 HA LEU 19 HA LEU 19 7.701 1.791 -11.271 138 HB2 LEU 19 HB2 LEU 19 9.141 3.170 -9.345 139 HB3 LEU 19 HB1 LEU 19 7.923 2.339 -8.401 140 HG LEU 19 HG LEU 19 10.033 1.084 -8.523 141 HD11 LEU 19 HD11 LEU 19 9.126 -1.073 -9.132 142 HD12 LEU 19 HD12 LEU 19 7.806 -0.298 -10.004 143 HD13 LEU 19 HD13 LEU 19 7.920 -0.132 -8.252 144 HD21 LEU 19 HD21 LEU 19 10.758 1.836 -10.734 145 HD22 LEU 19 HD22 LEU 19 9.472 0.885 -11.476 146 HD23 LEU 19 HD23 LEU 19 10.772 0.079 -10.601 147 H THR 20 HN THR 20 6.235 0.280 -10.276 148 HA THR 20 HA THR 20 3.753 1.523 -9.336 149 HB THR 20 HB THR 20 4.274 -1.319 -10.253 150 HG1 THR 20 HG1 THR 20 4.418 0.167 -11.973 151 HG21 THR 20 HG21 THR 20 1.798 -1.457 -10.364 152 HG22 THR 20 HG22 THR 20 1.708 0.128 -9.594 153 HG23 THR 20 HG23 THR 20 2.407 -1.236 -8.723 154 H SER 21 HN SER 21 3.871 1.807 -7.214 155 HA SER 21 HA SER 21 4.709 -0.390 -5.484 156 HB2 SER 21 HB2 SER 21 5.918 2.387 -5.344 157 HB3 SER 21 HB1 SER 21 6.302 1.026 -4.293 158 HG SER 21 HG SER 21 7.355 0.039 -5.927 159 H LEU 22 HN LEU 22 4.224 0.087 -3.207 160 HA LEU 22 HA LEU 22 1.735 1.399 -2.833 161 HB2 LEU 22 HB2 LEU 22 3.762 0.336 -0.866 162 HB3 LEU 22 HB1 LEU 22 2.232 1.035 -0.382 163 HG LEU 22 HG LEU 22 1.963 -1.309 -0.293 164 HD11 LEU 22 HD11 LEU 22 0.090 -0.098 -1.281 165 HD12 LEU 22 HD12 LEU 22 0.217 -1.738 -1.915 166 HD13 LEU 22 HD13 LEU 22 0.761 -0.373 -2.887 167 HD21 LEU 22 HD21 LEU 22 2.466 -2.816 -2.124 168 HD22 LEU 22 HD22 LEU 22 3.910 -1.920 -1.651 169 HD23 LEU 22 HD23 LEU 22 3.025 -1.466 -3.108 170 H ASN 23 HN ASN 23 1.451 3.517 -2.702 171 HA ASN 23 HA ASN 23 3.647 5.315 -2.295 172 HB2 ASN 23 HB2 ASN 23 1.741 5.856 -3.799 173 HB3 ASN 23 HB1 ASN 23 0.676 5.912 -2.400 174 HD21 ASN 23 HD21 ASN 23 3.313 7.489 -4.058 175 HD22 ASN 23 HD22 ASN 23 3.158 9.010 -3.253 176 H VAL 24 HN VAL 24 4.124 4.174 -0.197 177 HA VAL 24 HA VAL 24 2.412 4.786 2.040 178 HB VAL 24 HB VAL 24 5.254 3.795 2.219 179 HG11 VAL 24 HG11 VAL 24 4.233 4.537 4.303 180 HG12 VAL 24 HG12 VAL 24 4.477 2.790 4.307 181 HG13 VAL 24 HG13 VAL 24 2.867 3.455 4.029 182 HG21 VAL 24 HG21 VAL 24 4.133 2.309 0.688 183 HG22 VAL 24 HG22 VAL 24 2.748 2.178 1.771 184 HG23 VAL 24 HG23 VAL 24 4.307 1.503 2.247 185 H LYS 25 HN LYS 25 2.473 6.537 3.229 186 HA LYS 25 HA LYS 25 4.773 8.339 2.992 187 HB2 LYS 25 HB2 LYS 25 2.882 10.165 3.098 188 HB3 LYS 25 HB1 LYS 25 3.328 9.415 1.570 189 HG2 LYS 25 HG2 LYS 25 1.451 7.797 1.916 190 HG3 LYS 25 HG1 LYS 25 0.950 8.773 3.298 191 HD2 LYS 25 HD2 LYS 25 0.541 10.667 1.902 192 HD3 LYS 25 HD1 LYS 25 1.284 9.873 0.512 193 HE2 LYS 25 HE2 LYS 25 -1.237 8.988 1.912 194 HE3 LYS 25 HE1 LYS 25 -1.166 9.857 0.380 195 HZ1 LYS 25 HZ1 LYS 25 0.236 7.904 -0.416 196 HZ2 LYS 25 HZ2 LYS 25 -1.418 7.629 -0.203 197 HZ3 LYS 25 HZ3 LYS 25 -0.320 7.074 0.961 198 H ALA 26 HN ALA 26 4.747 6.761 5.049 199 HA ALA 26 HA ALA 26 4.843 6.606 7.305 200 HB1 ALA 26 HB1 ALA 26 4.852 9.613 7.169 201 HB2 ALA 26 HB2 ALA 26 6.255 8.569 6.931 202 HB3 ALA 26 HB3 ALA 26 5.446 8.616 8.498 203 H GLY 27 HN GLY 27 2.859 5.654 7.766 204 HA2 GLY 27 HA2 GLY 27 1.088 5.624 9.314 205 HA3 GLY 27 HA1 GLY 27 1.074 7.383 9.294 206 H ASP 28 HN ASP 28 1.006 5.164 6.577 207 HA ASP 28 HA ASP 28 -1.383 6.571 5.622 208 HB2 ASP 28 HB2 ASP 28 0.754 6.603 4.279 209 HB3 ASP 28 HB1 ASP 28 0.526 4.880 4.010 210 H ILE 29 HN ILE 29 -2.895 5.263 4.305 211 HA ILE 29 HA ILE 29 -3.432 2.766 5.765 212 HB ILE 29 HB ILE 29 -5.319 4.579 4.254 213 HG12 ILE 29 HG12 ILE 29 -4.560 5.578 6.344 214 HG13 ILE 29 HG11 ILE 29 -6.246 5.092 6.478 215 HG21 ILE 29 HG21 ILE 29 -6.031 2.260 4.123 216 HG22 ILE 29 HG22 ILE 29 -7.111 3.186 5.168 217 HG23 ILE 29 HG23 ILE 29 -5.906 2.110 5.876 218 HD11 ILE 29 HD11 ILE 29 -5.080 4.558 8.506 219 HD12 ILE 29 HD12 ILE 29 -3.866 3.648 7.607 220 HD13 ILE 29 HD13 ILE 29 -5.529 3.066 7.680 221 H ILE 30 HN ILE 30 -3.121 0.935 4.699 222 HA ILE 30 HA ILE 30 -3.389 0.977 1.762 223 HB ILE 30 HB ILE 30 -1.642 -0.946 3.284 224 HG12 ILE 30 HG12 ILE 30 -0.812 1.666 2.005 225 HG13 ILE 30 HG11 ILE 30 -0.886 1.363 3.737 226 HG21 ILE 30 HG21 ILE 30 -2.283 -1.611 1.033 227 HG22 ILE 30 HG22 ILE 30 -0.561 -1.226 1.103 228 HG23 ILE 30 HG23 ILE 30 -1.696 -0.075 0.399 229 HD11 ILE 30 HD11 ILE 30 0.821 -0.395 3.460 230 HD12 ILE 30 HD12 ILE 30 1.384 1.211 2.993 231 HD13 ILE 30 HD13 ILE 30 0.944 0.035 1.753 232 H THR 31 HN THR 31 -4.827 -0.394 0.920 233 HA THR 31 HA THR 31 -5.994 -2.456 2.666 234 HB THR 31 HB THR 31 -7.090 -1.554 0.001 235 HG1 THR 31 HG1 THR 31 -7.052 -0.217 2.408 236 HG21 THR 31 HG21 THR 31 -9.199 -2.399 0.921 237 HG22 THR 31 HG22 THR 31 -8.380 -2.826 2.423 238 HG23 THR 31 HG23 THR 31 -7.962 -3.656 0.923 239 H VAL 32 HN VAL 32 -4.905 -4.344 2.412 240 HA VAL 32 HA VAL 32 -3.853 -4.902 -0.276 241 HB VAL 32 HB VAL 32 -2.046 -6.124 0.678 242 HG11 VAL 32 HG11 VAL 32 -1.755 -3.712 0.628 243 HG12 VAL 32 HG12 VAL 32 -0.908 -4.417 2.007 244 HG13 VAL 32 HG13 VAL 32 -2.446 -3.583 2.246 245 HG21 VAL 32 HG21 VAL 32 -3.299 -5.681 3.381 246 HG22 VAL 32 HG22 VAL 32 -1.752 -6.469 3.068 247 HG23 VAL 32 HG23 VAL 32 -3.250 -7.211 2.504 248 H LEU 33 HN LEU 33 -3.982 -6.970 -1.123 249 HA LEU 33 HA LEU 33 -5.950 -8.651 0.241 250 HB2 LEU 33 HB2 LEU 33 -6.432 -9.638 -2.048 251 HB3 LEU 33 HB1 LEU 33 -7.055 -8.047 -1.702 252 HG LEU 33 HG LEU 33 -6.254 -8.338 -4.021 253 HD11 LEU 33 HD11 LEU 33 -5.030 -6.259 -4.196 254 HD12 LEU 33 HD12 LEU 33 -4.699 -6.288 -2.467 255 HD13 LEU 33 HD13 LEU 33 -6.356 -6.115 -3.042 256 HD21 LEU 33 HD21 LEU 33 -3.486 -8.451 -2.858 257 HD22 LEU 33 HD22 LEU 33 -3.942 -8.504 -4.561 258 HD23 LEU 33 HD23 LEU 33 -4.362 -9.841 -3.495 259 H GLU 34 HN GLU 34 -5.718 -10.917 0.099 260 HA GLU 34 HA GLU 34 -2.910 -11.725 -0.219 261 HB2 GLU 34 HB2 GLU 34 -3.449 -11.449 2.142 262 HB3 GLU 34 HB1 GLU 34 -4.857 -12.485 1.964 263 HG2 GLU 34 HG2 GLU 34 -3.304 -14.342 1.337 264 HG3 GLU 34 HG1 GLU 34 -1.967 -13.277 1.785 265 H GLN 35 HN GLN 35 -3.038 -12.866 -2.066 266 HA GLN 35 HA GLN 35 -4.535 -15.376 -1.937 267 HB2 GLN 35 HB2 GLN 35 -4.531 -13.577 -4.373 268 HB3 GLN 35 HB1 GLN 35 -5.226 -15.186 -4.292 269 HG2 GLN 35 HG2 GLN 35 -6.799 -14.329 -2.550 270 HG3 GLN 35 HG1 GLN 35 -6.178 -12.711 -2.877 271 HE21 GLN 35 HE21 GLN 35 -6.588 -11.765 -4.907 272 HE22 GLN 35 HE22 GLN 35 -7.865 -12.333 -5.925 273 H HIS 36 HN HIS 36 -1.715 -14.142 -1.850 274 HA HIS 36 HA HIS 36 -0.543 -15.585 -4.129 275 HB2 HIS 36 HB2 HIS 36 0.583 -13.141 -2.764 276 HB3 HIS 36 HB1 HIS 36 1.168 -13.894 -4.241 277 HD2 HIS 36 HD2 HIS 36 -0.339 -13.372 -6.539 278 HE1 HIS 36 HE1 HIS 36 -2.724 -10.404 -4.699 279 HE2 HIS 36 HE2 HIS 36 -2.226 -11.622 -6.861 280 HA PRO 37 HA PRO 37 1.473 -17.733 -0.656 281 HB2 PRO 37 HB2 PRO 37 1.902 -19.803 -2.673 282 HB3 PRO 37 HB1 PRO 37 1.033 -19.910 -1.142 283 HG2 PRO 37 HG2 PRO 37 -0.226 -19.998 -3.533 284 HG3 PRO 37 HG1 PRO 37 -0.973 -19.295 -2.086 285 HD2 PRO 37 HD2 PRO 37 0.352 -17.919 -4.396 286 HD3 PRO 37 HD1 PRO 37 -1.142 -17.486 -3.533 287 H ASP 38 HN ASP 38 2.398 -16.862 -3.867 288 HA ASP 38 HA ASP 38 5.032 -17.782 -3.980 289 HB2 ASP 38 HB2 ASP 38 3.905 -16.897 -5.941 290 HB3 ASP 38 HB1 ASP 38 3.815 -15.302 -5.205 291 H GLY 39 HN GLY 39 3.755 -14.722 -2.725 292 HA2 GLY 39 HA2 GLY 39 4.994 -14.070 -0.612 293 HA3 GLY 39 HA1 GLY 39 6.429 -14.168 -1.620 294 H ARG 40 HN ARG 40 4.516 -13.076 -3.821 295 HA ARG 40 HA ARG 40 4.955 -10.265 -3.106 296 HB2 ARG 40 HB2 ARG 40 4.536 -11.562 -5.803 297 HB3 ARG 40 HB1 ARG 40 4.733 -9.835 -5.543 298 HG2 ARG 40 HG2 ARG 40 6.979 -10.184 -4.713 299 HG3 ARG 40 HG1 ARG 40 6.785 -11.932 -4.869 300 HD2 ARG 40 HD2 ARG 40 8.036 -11.058 -6.755 301 HD3 ARG 40 HD1 ARG 40 6.472 -11.667 -7.288 302 HE ARG 40 HE ARG 40 7.087 -8.803 -6.921 303 HH11 ARG 40 HH11 ARG 40 5.398 -11.389 -8.587 304 HH12 ARG 40 HH12 ARG 40 4.708 -10.335 -9.780 305 HH21 ARG 40 HH21 ARG 40 6.183 -7.420 -8.502 306 HH22 ARG 40 HH22 ARG 40 5.149 -8.085 -9.730 307 H TRP 41 HN TRP 41 3.239 -9.291 -2.338 308 HA TRP 41 HA TRP 41 0.562 -10.181 -3.155 309 HB2 TRP 41 HB2 TRP 41 1.461 -8.522 -0.791 310 HB3 TRP 41 HB1 TRP 41 -0.211 -8.913 -1.154 311 HD1 TRP 41 HD1 TRP 41 1.905 -11.901 -1.754 312 HE1 TRP 41 HE1 TRP 41 1.725 -13.522 0.237 313 HE3 TRP 41 HE3 TRP 41 -0.393 -8.808 1.593 314 HZ2 TRP 41 HZ2 TRP 41 0.737 -13.480 2.892 315 HZ3 TRP 41 HZ3 TRP 41 -0.921 -9.663 3.829 316 HH2 TRP 41 HH2 TRP 41 -0.369 -11.955 4.466 317 H LYS 42 HN LYS 42 -1.078 -8.436 -3.298 318 HA LYS 42 HA LYS 42 0.065 -5.988 -4.469 319 HB2 LYS 42 HB2 LYS 42 -2.663 -7.162 -5.024 320 HB3 LYS 42 HB1 LYS 42 -1.907 -5.810 -5.851 321 HG2 LYS 42 HG2 LYS 42 -0.254 -7.273 -6.823 322 HG3 LYS 42 HG1 LYS 42 -0.900 -8.645 -5.919 323 HD2 LYS 42 HD2 LYS 42 -3.046 -8.383 -7.091 324 HD3 LYS 42 HD1 LYS 42 -2.362 -7.048 -8.020 325 HE2 LYS 42 HE2 LYS 42 -0.680 -8.565 -8.948 326 HE3 LYS 42 HE1 LYS 42 -1.374 -9.898 -8.028 327 HZ1 LYS 42 HZ1 LYS 42 -2.116 -9.839 -10.352 328 HZ2 LYS 42 HZ2 LYS 42 -2.827 -8.328 -10.084 329 HZ3 LYS 42 HZ3 LYS 42 -3.403 -9.690 -9.263 330 H GLY 43 HN GLY 43 -0.690 -4.033 -3.727 331 HA2 GLY 43 HA2 GLY 43 -2.861 -4.112 -1.748 332 HA3 GLY 43 HA1 GLY 43 -1.331 -3.363 -1.319 333 H CYS 44 HN CYS 44 -4.123 -2.329 -1.636 334 HA CYS 44 HA CYS 44 -3.610 -0.273 -3.673 335 HB2 CYS 44 HB2 CYS 44 -6.177 -0.926 -2.211 336 HB3 CYS 44 HB1 CYS 44 -5.994 0.214 -3.543 337 HG CYS 44 HG CYS 44 -4.822 -2.545 -4.696 338 H ILE 45 HN ILE 45 -3.744 1.920 -3.106 339 HA ILE 45 HA ILE 45 -3.194 2.396 -0.267 340 HB ILE 45 HB ILE 45 -2.593 4.070 -2.713 341 HG12 ILE 45 HG12 ILE 45 -1.180 2.057 -2.433 342 HG13 ILE 45 HG11 ILE 45 -0.264 3.551 -2.270 343 HG21 ILE 45 HG21 ILE 45 -1.351 5.557 -1.221 344 HG22 ILE 45 HG22 ILE 45 -1.903 4.619 0.169 345 HG23 ILE 45 HG23 ILE 45 -3.068 5.510 -0.814 346 HD11 ILE 45 HD11 ILE 45 0.430 1.929 -0.618 347 HD12 ILE 45 HD12 ILE 45 -1.221 1.803 -0.018 348 HD13 ILE 45 HD13 ILE 45 -0.330 3.312 0.165 349 H HIS 46 HN HIS 46 -4.510 3.585 0.954 350 HA HIS 46 HA HIS 46 -6.663 5.088 -0.371 351 HB2 HIS 46 HB2 HIS 46 -7.461 3.495 1.313 352 HB3 HIS 46 HB1 HIS 46 -6.376 4.186 2.511 353 HD2 HIS 46 HD2 HIS 46 -9.375 5.582 0.339 354 HE1 HIS 46 HE1 HIS 46 -9.444 7.287 4.209 355 HE2 HIS 46 HE2 HIS 46 -10.481 7.333 1.903 356 H ASP 47 HN ASP 47 -5.903 7.027 -0.848 357 HA ASP 47 HA ASP 47 -3.735 8.271 0.398 358 HB2 ASP 47 HB2 ASP 47 -4.434 8.838 -1.863 359 HB3 ASP 47 HB1 ASP 47 -5.945 9.502 -1.251 360 H ASN 48 HN ASN 48 -3.602 9.010 2.367 361 HA ASN 48 HA ASN 48 -5.966 9.803 3.831 362 HB2 ASN 48 HB2 ASN 48 -4.590 9.791 5.784 363 HB3 ASN 48 HB1 ASN 48 -4.118 8.392 4.829 364 HD21 ASN 48 HD21 ASN 48 -2.070 8.310 3.916 365 HD22 ASN 48 HD22 ASN 48 -0.833 9.466 4.324 366 H ARG 49 HN ARG 49 -3.841 11.380 1.788 367 HA ARG 49 HA ARG 49 -4.580 13.954 2.923 368 HB2 ARG 49 HB2 ARG 49 -2.457 13.367 4.034 369 HB3 ARG 49 HB1 ARG 49 -1.686 13.229 2.464 370 HG2 ARG 49 HG2 ARG 49 -2.176 15.613 2.052 371 HG3 ARG 49 HG1 ARG 49 -2.845 15.724 3.681 372 HD2 ARG 49 HD2 ARG 49 -0.691 15.081 4.622 373 HD3 ARG 49 HD1 ARG 49 -0.019 14.922 3.000 374 HE ARG 49 HE ARG 49 -1.076 17.510 3.338 375 HH11 ARG 49 HH11 ARG 49 1.606 15.521 4.383 376 HH12 ARG 49 HH12 ARG 49 2.671 16.867 4.627 377 HH21 ARG 49 HH21 ARG 49 0.323 19.282 3.644 378 HH22 ARG 49 HH22 ARG 49 1.945 19.008 4.197 379 H THR 50 HN THR 50 -1.982 13.211 0.613 380 HA THR 50 HA THR 50 -3.634 13.892 -1.646 381 HB THR 50 HB THR 50 -3.121 16.123 -0.750 382 HG1 THR 50 HG1 THR 50 -1.610 15.653 -3.121 383 HG21 THR 50 HG21 THR 50 -1.016 15.644 0.374 384 HG22 THR 50 HG22 THR 50 -0.815 16.974 -0.767 385 HG23 THR 50 HG23 THR 50 -0.233 15.361 -1.181 386 H GLY 51 HN GLY 51 -2.104 11.625 -0.862 387 HA2 GLY 51 HA2 GLY 51 0.276 11.721 -2.591 388 HA3 GLY 51 HA1 GLY 51 -0.067 10.492 -1.382 389 H ASN 52 HN ASN 52 -2.866 11.091 -3.007 390 HA ASN 52 HA ASN 52 -4.045 10.145 -4.699 391 HB2 ASN 52 HB2 ASN 52 -1.377 9.201 -5.766 392 HB3 ASN 52 HB1 ASN 52 -2.900 9.171 -6.640 393 HD21 ASN 52 HD21 ASN 52 -3.757 11.770 -5.616 394 HD22 ASN 52 HD22 ASN 52 -2.799 12.948 -6.447 395 H ASP 53 HN ASP 53 -4.779 8.040 -5.504 396 HA ASP 53 HA ASP 53 -4.175 5.933 -3.542 397 HB2 ASP 53 HB2 ASP 53 -6.563 6.056 -5.388 398 HB3 ASP 53 HB1 ASP 53 -6.351 5.027 -3.978 399 H ARG 54 HN ARG 54 -2.632 4.645 -4.357 400 HA ARG 54 HA ARG 54 -2.885 3.783 -7.164 401 HB2 ARG 54 HB2 ARG 54 -0.364 3.960 -5.501 402 HB3 ARG 54 HB1 ARG 54 -0.459 3.457 -7.181 403 HG2 ARG 54 HG2 ARG 54 -1.230 5.701 -7.798 404 HG3 ARG 54 HG1 ARG 54 -1.093 6.197 -6.108 405 HD2 ARG 54 HD2 ARG 54 1.322 5.509 -6.216 406 HD3 ARG 54 HD1 ARG 54 1.113 5.311 -7.954 407 HE ARG 54 HE ARG 54 0.258 7.832 -7.544 408 HH11 ARG 54 HH11 ARG 54 3.171 6.103 -6.696 409 HH12 ARG 54 HH12 ARG 54 4.157 7.526 -6.614 410 HH21 ARG 54 HH21 ARG 54 1.548 9.728 -7.462 411 HH22 ARG 54 HH22 ARG 54 3.230 9.598 -7.066 412 H VAL 55 HN VAL 55 -1.995 1.597 -7.586 413 HA VAL 55 HA VAL 55 -2.184 -0.147 -5.227 414 HB VAL 55 HB VAL 55 -4.048 -0.635 -6.677 415 HG11 VAL 55 HG11 VAL 55 -2.030 -1.040 -8.873 416 HG12 VAL 55 HG12 VAL 55 -3.201 0.272 -8.760 417 HG13 VAL 55 HG13 VAL 55 -3.754 -1.387 -8.986 418 HG21 VAL 55 HG21 VAL 55 -1.921 -2.756 -6.967 419 HG22 VAL 55 HG22 VAL 55 -3.660 -3.002 -7.134 420 HG23 VAL 55 HG23 VAL 55 -2.983 -2.534 -5.575 421 H GLY 56 HN GLY 56 -0.455 -1.330 -4.758 422 HA2 GLY 56 HA2 GLY 56 1.719 -1.444 -6.748 423 HA3 GLY 56 HA1 GLY 56 2.025 -0.851 -5.121 424 H TYR 57 HN TYR 57 3.495 -2.931 -6.053 425 HA TYR 57 HA TYR 57 2.307 -5.347 -4.865 426 HB2 TYR 57 HB2 TYR 57 4.789 -5.072 -6.582 427 HB3 TYR 57 HB1 TYR 57 4.082 -6.579 -6.019 428 HD1 TYR 57 HD1 TYR 57 2.324 -7.621 -7.222 429 HD2 TYR 57 HD2 TYR 57 3.538 -3.675 -8.248 430 HE1 TYR 57 HE1 TYR 57 0.938 -7.728 -9.248 431 HE2 TYR 57 HE2 TYR 57 2.155 -3.776 -10.277 432 HH TYR 57 HH TYR 57 1.198 -5.517 -11.781 433 H PHE 58 HN PHE 58 3.305 -6.375 -3.149 434 HA PHE 58 HA PHE 58 5.873 -5.366 -2.206 435 HB2 PHE 58 HB2 PHE 58 5.098 -4.872 0.039 436 HB3 PHE 58 HB1 PHE 58 4.183 -3.912 -1.112 437 HD1 PHE 58 HD1 PHE 58 1.874 -4.889 -1.830 438 HD2 PHE 58 HD2 PHE 58 4.001 -6.076 1.660 439 HE1 PHE 58 HE1 PHE 58 -0.217 -5.718 -0.841 440 HE2 PHE 58 HE2 PHE 58 1.914 -6.909 2.653 441 HZ PHE 58 HZ PHE 58 -0.197 -6.731 1.404 442 HA PRO 59 HA PRO 59 6.311 -9.650 -1.256 443 HB2 PRO 59 HB2 PRO 59 8.516 -9.590 0.273 444 HB3 PRO 59 HB1 PRO 59 8.566 -9.191 -1.448 445 HG2 PRO 59 HG2 PRO 59 8.504 -7.359 0.919 446 HG3 PRO 59 HG1 PRO 59 9.494 -7.256 -0.548 447 HD2 PRO 59 HD2 PRO 59 7.209 -5.807 -0.164 448 HD3 PRO 59 HD1 PRO 59 7.811 -6.283 -1.762 449 H SER 60 HN SER 60 4.308 -8.498 0.305 450 HA SER 60 HA SER 60 3.112 -8.635 2.200 451 HB2 SER 60 HB2 SER 60 3.235 -10.729 3.491 452 HB3 SER 60 HB1 SER 60 3.202 -11.018 1.755 453 HG SER 60 HG SER 60 5.720 -10.887 2.299 454 H SER 61 HN SER 61 3.127 -8.695 4.637 455 HA SER 61 HA SER 61 3.791 -7.743 6.583 456 HB2 SER 61 HB2 SER 61 6.547 -8.625 5.681 457 HB3 SER 61 HB1 SER 61 6.091 -8.184 7.328 458 HG SER 61 HG SER 61 4.865 -9.987 7.490 459 H LEU 62 HN LEU 62 3.148 -5.707 5.502 460 HA LEU 62 HA LEU 62 5.457 -3.938 5.060 461 HB2 LEU 62 HB2 LEU 62 4.137 -4.387 3.021 462 HB3 LEU 62 HB1 LEU 62 2.715 -3.748 3.821 463 HG LEU 62 HG LEU 62 3.819 -1.539 3.976 464 HD11 LEU 62 HD11 LEU 62 5.978 -2.850 2.327 465 HD12 LEU 62 HD12 LEU 62 6.141 -2.250 3.979 466 HD13 LEU 62 HD13 LEU 62 5.844 -1.124 2.656 467 HD21 LEU 62 HD21 LEU 62 2.322 -2.020 2.130 468 HD22 LEU 62 HD22 LEU 62 3.652 -2.717 1.205 469 HD23 LEU 62 HD23 LEU 62 3.652 -0.996 1.589 470 H GLY 63 HN GLY 63 2.120 -4.100 6.251 471 HA2 GLY 63 HA2 GLY 63 2.774 -1.882 8.073 472 HA3 GLY 63 HA1 GLY 63 1.290 -1.838 7.131 473 H GLU 64 HN GLU 64 0.717 -1.603 9.598 474 HA GLU 64 HA GLU 64 0.476 -4.160 10.941 475 HB2 GLU 64 HB2 GLU 64 0.924 -1.898 12.072 476 HB3 GLU 64 HB1 GLU 64 -0.782 -1.567 11.811 477 HG2 GLU 64 HG2 GLU 64 -0.501 -2.376 14.036 478 HG3 GLU 64 HG1 GLU 64 -1.324 -3.619 13.092 479 H ALA 65 HN ALA 65 -1.087 -5.511 10.381 480 HA ALA 65 HA ALA 65 -3.345 -4.660 8.835 481 HB1 ALA 65 HB1 ALA 65 -3.921 -7.005 8.729 482 HB2 ALA 65 HB2 ALA 65 -2.749 -7.377 9.995 483 HB3 ALA 65 HB3 ALA 65 -2.197 -6.800 8.423 484 H ILE 66 HN ILE 66 -4.591 -3.349 10.112 485 HA ILE 66 HA ILE 66 -5.600 -4.342 12.648 486 HB ILE 66 HB ILE 66 -6.796 -2.208 12.809 487 HG12 ILE 66 HG12 ILE 66 -5.562 -1.547 10.123 488 HG13 ILE 66 HG11 ILE 66 -7.256 -1.957 10.366 489 HG21 ILE 66 HG21 ILE 66 -4.829 -0.730 12.897 490 HG22 ILE 66 HG22 ILE 66 -3.908 -1.928 11.991 491 HG23 ILE 66 HG23 ILE 66 -4.510 -2.314 13.601 492 HD11 ILE 66 HD11 ILE 66 -6.930 0.443 10.169 493 HD12 ILE 66 HD12 ILE 66 -5.834 0.413 11.552 494 HD13 ILE 66 HD13 ILE 66 -7.536 0.009 11.769 495 H VAL 67 HN VAL 67 -6.468 -4.381 9.362 496 HA VAL 67 HA VAL 67 -8.293 -5.016 8.182 497 HB VAL 67 HB VAL 67 -9.286 -6.305 10.726 498 HG11 VAL 67 HG11 VAL 67 -9.797 -6.957 7.826 499 HG12 VAL 67 HG12 VAL 67 -10.935 -6.189 8.933 500 HG13 VAL 67 HG13 VAL 67 -10.421 -7.853 9.212 501 HG21 VAL 67 HG21 VAL 67 -8.123 -8.332 10.011 502 HG22 VAL 67 HG22 VAL 67 -6.987 -7.011 10.284 503 HG23 VAL 67 HG23 VAL 67 -7.438 -7.460 8.641 Start of MODEL 30 1 H1 GLY 1 HT1 GLY 1 -4.627 -17.253 1.017 2 H2 GLY 1 HT2 GLY 1 -4.225 -18.857 0.664 3 H3 GLY 1 HT3 GLY 1 -5.832 -18.341 0.527 4 HA2 GLY 1 HA1 GLY 1 -3.541 -17.474 -1.141 5 HA3 GLY 1 HA2 GLY 1 -4.847 -18.533 -1.648 6 H SER 2 HN SER 2 -6.402 -16.474 0.279 7 HA SER 2 HA SER 2 -6.534 -14.176 -1.460 8 HB2 SER 2 HB2 SER 2 -9.063 -14.508 -1.731 9 HB3 SER 2 HB1 SER 2 -8.018 -15.527 -2.723 10 HG SER 2 HG SER 2 -8.361 -17.225 -1.298 11 H HIS 3 HN HIS 3 -5.763 -14.497 1.214 12 HA HIS 3 HA HIS 3 -7.718 -14.143 3.152 13 HB2 HIS 3 HB2 HIS 3 -5.351 -14.598 3.656 14 HB3 HIS 3 HB1 HIS 3 -4.924 -12.979 3.120 15 HD2 HIS 3 HD2 HIS 3 -7.458 -14.334 5.846 16 HE1 HIS 3 HE1 HIS 3 -5.297 -11.023 7.349 17 HE2 HIS 3 HE2 HIS 3 -7.183 -12.653 7.803 18 H MET 4 HN MET 4 -5.677 -11.489 1.936 19 HA MET 4 HA MET 4 -6.079 -9.298 1.520 20 HB2 MET 4 HB2 MET 4 -9.005 -10.039 1.651 21 HB3 MET 4 HB1 MET 4 -8.373 -8.489 1.113 22 HG2 MET 4 HG2 MET 4 -7.235 -9.603 -0.741 23 HG3 MET 4 HG1 MET 4 -7.892 -11.150 -0.206 24 HE1 MET 4 HE1 MET 4 -9.951 -10.468 -3.459 25 HE2 MET 4 HE2 MET 4 -8.916 -11.610 -2.602 26 HE3 MET 4 HE3 MET 4 -8.253 -10.081 -3.180 27 H LEU 5 HN LEU 5 -5.913 -7.594 2.820 28 HA LEU 5 HA LEU 5 -7.509 -7.282 5.178 29 HB2 LEU 5 HB2 LEU 5 -5.704 -7.379 6.814 30 HB3 LEU 5 HB1 LEU 5 -5.931 -8.932 6.041 31 HG LEU 5 HG LEU 5 -3.781 -7.045 5.107 32 HD11 LEU 5 HD11 LEU 5 -2.224 -8.244 6.588 33 HD12 LEU 5 HD12 LEU 5 -3.594 -9.064 7.339 34 HD13 LEU 5 HD13 LEU 5 -3.423 -7.315 7.487 35 HD21 LEU 5 HD21 LEU 5 -2.717 -9.116 4.374 36 HD22 LEU 5 HD22 LEU 5 -4.329 -8.961 3.678 37 HD23 LEU 5 HD23 LEU 5 -4.055 -10.051 5.037 38 H GLN 6 HN GLN 6 -6.870 -5.297 6.379 39 HA GLN 6 HA GLN 6 -5.534 -3.415 4.565 40 HB2 GLN 6 HB2 GLN 6 -7.940 -2.969 4.829 41 HB3 GLN 6 HB1 GLN 6 -7.724 -2.840 6.567 42 HG2 GLN 6 HG2 GLN 6 -6.494 -0.856 6.380 43 HG3 GLN 6 HG1 GLN 6 -6.245 -1.080 4.648 44 HE21 GLN 6 HE21 GLN 6 -8.523 -0.172 7.123 45 HE22 GLN 6 HE22 GLN 6 -9.653 0.600 6.067 46 H VAL 7 HN VAL 7 -3.827 -2.357 5.293 47 HA VAL 7 HA VAL 7 -3.121 -2.686 8.132 48 HB VAL 7 HB VAL 7 -0.753 -2.800 7.430 49 HG11 VAL 7 HG11 VAL 7 -0.809 -5.081 6.502 50 HG12 VAL 7 HG12 VAL 7 -2.532 -4.892 6.178 51 HG13 VAL 7 HG13 VAL 7 -1.938 -4.874 7.839 52 HG21 VAL 7 HG21 VAL 7 -0.902 -1.614 5.317 53 HG22 VAL 7 HG22 VAL 7 -1.890 -2.907 4.636 54 HG23 VAL 7 HG23 VAL 7 -0.207 -3.215 5.067 55 H ARG 8 HN ARG 8 -1.876 -1.023 9.069 56 HA ARG 8 HA ARG 8 -1.855 1.515 7.573 57 HB2 ARG 8 HB2 ARG 8 -3.156 1.628 9.648 58 HB3 ARG 8 HB1 ARG 8 -1.779 1.027 10.563 59 HG2 ARG 8 HG2 ARG 8 -0.510 3.046 9.888 60 HG3 ARG 8 HG1 ARG 8 -1.974 3.658 9.116 61 HD2 ARG 8 HD2 ARG 8 -3.130 3.654 11.247 62 HD3 ARG 8 HD1 ARG 8 -1.718 2.951 12.034 63 HE ARG 8 HE ARG 8 -1.244 5.472 10.695 64 HH11 ARG 8 HH11 ARG 8 -2.174 3.915 13.686 65 HH12 ARG 8 HH12 ARG 8 -1.660 5.237 14.683 66 HH21 ARG 8 HH21 ARG 8 -0.562 7.211 12.000 67 HH22 ARG 8 HH22 ARG 8 -0.737 7.115 13.721 68 H ALA 9 HN ALA 9 0.085 2.096 6.839 69 HA ALA 9 HA ALA 9 2.441 0.942 8.173 70 HB1 ALA 9 HB1 ALA 9 2.159 1.856 5.315 71 HB2 ALA 9 HB2 ALA 9 2.130 0.183 5.873 72 HB3 ALA 9 HB3 ALA 9 3.601 1.143 6.041 73 H THR 10 HN THR 10 3.725 2.292 9.214 74 HA THR 10 HA THR 10 3.709 5.123 8.413 75 HB THR 10 HB THR 10 4.745 5.431 10.774 76 HG1 THR 10 HG1 THR 10 3.274 3.093 11.383 77 HG21 THR 10 HG21 THR 10 2.515 5.579 11.798 78 HG22 THR 10 HG22 THR 10 1.844 4.654 10.454 79 HG23 THR 10 HG23 THR 10 2.532 6.252 10.168 80 H LYS 11 HN LYS 11 5.324 5.274 6.998 81 HA LYS 11 HA LYS 11 8.024 5.089 7.888 82 HB2 LYS 11 HB2 LYS 11 7.549 2.711 7.317 83 HB3 LYS 11 HB1 LYS 11 7.133 3.211 5.685 84 HG2 LYS 11 HG2 LYS 11 9.394 3.937 5.282 85 HG3 LYS 11 HG1 LYS 11 9.836 3.593 6.956 86 HD2 LYS 11 HD2 LYS 11 9.249 1.217 6.567 87 HD3 LYS 11 HD1 LYS 11 8.955 1.600 4.872 88 HE2 LYS 11 HE2 LYS 11 11.253 2.232 4.561 89 HE3 LYS 11 HE1 LYS 11 11.577 2.058 6.286 90 HZ1 LYS 11 HZ1 LYS 11 11.009 -0.328 6.042 91 HZ2 LYS 11 HZ2 LYS 11 12.380 0.134 5.171 92 HZ3 LYS 11 HZ3 LYS 11 10.913 -0.106 4.368 93 H ASP 12 HN ASP 12 9.346 6.359 6.605 94 HA ASP 12 HA ASP 12 7.977 8.182 4.857 95 HB2 ASP 12 HB2 ASP 12 10.919 7.962 5.540 96 HB3 ASP 12 HB1 ASP 12 10.177 9.294 4.662 97 H TYR 13 HN TYR 13 7.435 6.171 3.480 98 HA TYR 13 HA TYR 13 9.564 5.483 1.608 99 HB2 TYR 13 HB2 TYR 13 7.776 3.868 2.682 100 HB3 TYR 13 HB1 TYR 13 6.759 4.461 1.373 101 HD1 TYR 13 HD1 TYR 13 9.862 2.646 2.172 102 HD2 TYR 13 HD2 TYR 13 7.104 3.724 -0.882 103 HE1 TYR 13 HE1 TYR 13 10.910 1.015 0.659 104 HE2 TYR 13 HE2 TYR 13 8.145 2.094 -2.402 105 HH TYR 13 HH TYR 13 10.220 -0.314 -1.378 106 H CYS 14 HN CYS 14 9.068 8.056 1.429 107 HA CYS 14 HA CYS 14 8.347 8.540 -1.224 108 HB2 CYS 14 HB2 CYS 14 6.050 8.107 -0.262 109 HB3 CYS 14 HB1 CYS 14 6.272 9.536 0.740 110 HG CYS 14 HG CYS 14 6.495 11.282 -1.449 111 H ASN 15 HN ASN 15 10.525 9.351 -0.436 112 HA ASN 15 HA ASN 15 10.442 12.181 -0.053 113 HB2 ASN 15 HB2 ASN 15 10.082 11.574 2.271 114 HB3 ASN 15 HB1 ASN 15 11.458 10.480 2.232 115 HD21 ASN 15 HD21 ASN 15 11.265 13.717 0.838 116 HD22 ASN 15 HD22 ASN 15 12.491 14.404 1.846 117 H ASN 16 HN ASN 16 11.632 12.010 -1.992 118 HA ASN 16 HA ASN 16 13.538 12.260 -3.179 119 HB2 ASN 16 HB2 ASN 16 14.734 12.245 -0.424 120 HB3 ASN 16 HB1 ASN 16 15.739 12.365 -1.862 121 HD21 ASN 16 HD21 ASN 16 13.905 13.943 -3.393 122 HD22 ASN 16 HD22 ASN 16 13.886 15.524 -2.690 123 H TYR 17 HN TYR 17 14.308 10.843 -4.514 124 HA TYR 17 HA TYR 17 15.045 8.906 -5.428 125 HB2 TYR 17 HB2 TYR 17 16.416 8.596 -2.745 126 HB3 TYR 17 HB1 TYR 17 16.776 7.647 -4.181 127 HD1 TYR 17 HD1 TYR 17 17.060 10.963 -2.621 128 HD2 TYR 17 HD2 TYR 17 18.059 8.577 -5.996 129 HE1 TYR 17 HE1 TYR 17 18.691 12.660 -3.330 130 HE2 TYR 17 HE2 TYR 17 19.692 10.268 -6.716 131 HH TYR 17 HH TYR 17 20.149 12.630 -6.419 132 H ASP 18 HN ASP 18 12.730 8.360 -5.264 133 HA ASP 18 HA ASP 18 12.136 6.374 -3.191 134 HB2 ASP 18 HB2 ASP 18 10.339 8.072 -4.918 135 HB3 ASP 18 HB1 ASP 18 9.737 6.749 -3.927 136 H LEU 19 HN LEU 19 11.306 4.400 -3.682 137 HA LEU 19 HA LEU 19 11.664 3.513 -6.463 138 HB2 LEU 19 HB2 LEU 19 12.977 2.406 -4.596 139 HB3 LEU 19 HB1 LEU 19 11.452 1.824 -3.961 140 HG LEU 19 HG LEU 19 11.090 0.601 -6.110 141 HD11 LEU 19 HD11 LEU 19 13.028 0.247 -7.570 142 HD12 LEU 19 HD12 LEU 19 13.944 1.428 -6.634 143 HD13 LEU 19 HD13 LEU 19 12.524 1.937 -7.549 144 HD21 LEU 19 HD21 LEU 19 13.607 -0.085 -4.597 145 HD22 LEU 19 HD22 LEU 19 12.665 -1.190 -5.600 146 HD23 LEU 19 HD23 LEU 19 11.965 -0.522 -4.124 147 H THR 20 HN THR 20 10.013 1.745 -7.111 148 HA THR 20 HA THR 20 7.409 2.769 -6.233 149 HB THR 20 HB THR 20 8.007 1.144 -8.711 150 HG1 THR 20 HG1 THR 20 9.050 3.185 -8.789 151 HG21 THR 20 HG21 THR 20 5.820 1.958 -9.461 152 HG22 THR 20 HG22 THR 20 5.609 2.809 -7.932 153 HG23 THR 20 HG23 THR 20 5.672 1.048 -7.957 154 H SER 21 HN SER 21 6.944 1.635 -4.511 155 HA SER 21 HA SER 21 5.766 -0.935 -4.888 156 HB2 SER 21 HB2 SER 21 8.109 -0.655 -2.972 157 HB3 SER 21 HB1 SER 21 6.985 -2.014 -2.977 158 HG SER 21 HG SER 21 8.190 -1.382 -5.402 159 H LEU 22 HN LEU 22 3.852 -0.225 -4.125 160 HA LEU 22 HA LEU 22 2.291 0.938 -2.956 161 HB2 LEU 22 HB2 LEU 22 4.241 0.374 -0.724 162 HB3 LEU 22 HB1 LEU 22 2.708 1.171 -0.458 163 HG LEU 22 HG LEU 22 2.423 -1.097 0.159 164 HD11 LEU 22 HD11 LEU 22 0.560 -0.145 -1.092 165 HD12 LEU 22 HD12 LEU 22 0.698 -1.882 -1.355 166 HD13 LEU 22 HD13 LEU 22 1.252 -0.756 -2.593 167 HD21 LEU 22 HD21 LEU 22 2.904 -2.972 -1.325 168 HD22 LEU 22 HD22 LEU 22 4.358 -2.043 -0.956 169 HD23 LEU 22 HD23 LEU 22 3.564 -1.856 -2.521 170 H ASN 23 HN ASN 23 2.320 2.901 -1.110 171 HA ASN 23 HA ASN 23 4.531 4.714 -1.497 172 HB2 ASN 23 HB2 ASN 23 3.014 5.160 -3.459 173 HB3 ASN 23 HB1 ASN 23 1.752 5.594 -2.312 174 HD21 ASN 23 HD21 ASN 23 5.195 6.330 -2.055 175 HD22 ASN 23 HD22 ASN 23 5.009 8.048 -2.150 176 H VAL 24 HN VAL 24 4.911 5.362 0.524 177 HA VAL 24 HA VAL 24 2.604 5.602 2.337 178 HB VAL 24 HB VAL 24 5.349 4.633 3.133 179 HG11 VAL 24 HG11 VAL 24 4.251 3.977 5.209 180 HG12 VAL 24 HG12 VAL 24 2.718 4.611 4.608 181 HG13 VAL 24 HG13 VAL 24 4.068 5.707 4.915 182 HG21 VAL 24 HG21 VAL 24 2.851 3.020 2.608 183 HG22 VAL 24 HG22 VAL 24 4.345 2.395 3.311 184 HG23 VAL 24 HG23 VAL 24 4.332 2.995 1.652 185 H LYS 25 HN LYS 25 2.331 7.615 2.916 186 HA LYS 25 HA LYS 25 4.479 9.557 2.911 187 HB2 LYS 25 HB2 LYS 25 2.733 11.155 3.490 188 HB3 LYS 25 HB1 LYS 25 2.185 10.124 2.176 189 HG2 LYS 25 HG2 LYS 25 0.886 8.786 3.739 190 HG3 LYS 25 HG1 LYS 25 1.462 9.776 5.080 191 HD2 LYS 25 HD2 LYS 25 0.383 11.741 4.054 192 HD3 LYS 25 HD1 LYS 25 -0.239 10.701 2.769 193 HE2 LYS 25 HE2 LYS 25 -1.477 9.393 4.403 194 HE3 LYS 25 HE1 LYS 25 -0.814 10.372 5.710 195 HZ1 LYS 25 HZ1 LYS 25 -2.608 11.313 3.540 196 HZ2 LYS 25 HZ2 LYS 25 -1.924 12.303 4.738 197 HZ3 LYS 25 HZ3 LYS 25 -3.024 11.098 5.172 198 H ALA 26 HN ALA 26 5.034 7.525 4.726 199 HA ALA 26 HA ALA 26 5.634 7.074 6.861 200 HB1 ALA 26 HB1 ALA 26 6.765 9.225 6.730 201 HB2 ALA 26 HB2 ALA 26 6.141 8.933 8.352 202 HB3 ALA 26 HB3 ALA 26 5.297 10.039 7.270 203 H GLY 27 HN GLY 27 2.747 7.193 6.042 204 HA2 GLY 27 HA2 GLY 27 1.550 6.193 8.280 205 HA3 GLY 27 HA1 GLY 27 1.297 7.928 8.403 206 H ASP 28 HN ASP 28 1.035 5.331 5.992 207 HA ASP 28 HA ASP 28 -1.446 6.606 5.046 208 HB2 ASP 28 HB2 ASP 28 0.790 5.318 3.603 209 HB3 ASP 28 HB1 ASP 28 -0.823 4.952 3.005 210 H ILE 29 HN ILE 29 -3.094 5.159 4.232 211 HA ILE 29 HA ILE 29 -3.225 2.684 5.811 212 HB ILE 29 HB ILE 29 -5.475 4.178 4.450 213 HG12 ILE 29 HG12 ILE 29 -4.532 5.523 6.261 214 HG13 ILE 29 HG11 ILE 29 -6.122 4.914 6.711 215 HG21 ILE 29 HG21 ILE 29 -5.931 1.807 4.722 216 HG22 ILE 29 HG22 ILE 29 -6.942 2.760 5.808 217 HG23 ILE 29 HG23 ILE 29 -5.527 1.911 6.436 218 HD11 ILE 29 HD11 ILE 29 -4.578 4.783 8.573 219 HD12 ILE 29 HD12 ILE 29 -3.478 3.795 7.613 220 HD13 ILE 29 HD13 ILE 29 -5.066 3.169 8.057 221 H ILE 30 HN ILE 30 -3.018 0.811 4.770 222 HA ILE 30 HA ILE 30 -3.202 0.863 1.829 223 HB ILE 30 HB ILE 30 -1.540 -1.065 3.440 224 HG12 ILE 30 HG12 ILE 30 -0.649 1.533 2.168 225 HG13 ILE 30 HG11 ILE 30 -0.788 1.243 3.897 226 HG21 ILE 30 HG21 ILE 30 -1.503 -0.246 0.539 227 HG22 ILE 30 HG22 ILE 30 -2.067 -1.784 1.190 228 HG23 ILE 30 HG23 ILE 30 -0.360 -1.354 1.296 229 HD11 ILE 30 HD11 ILE 30 1.095 -0.149 2.007 230 HD12 ILE 30 HD12 ILE 30 0.943 -0.482 3.733 231 HD13 ILE 30 HD13 ILE 30 1.516 1.094 3.183 232 H THR 31 HN THR 31 -4.599 -0.478 0.896 233 HA THR 31 HA THR 31 -5.786 -2.636 2.502 234 HB THR 31 HB THR 31 -6.733 -1.655 -0.200 235 HG1 THR 31 HG1 THR 31 -7.320 -0.693 2.415 236 HG21 THR 31 HG21 THR 31 -8.857 -2.654 0.503 237 HG22 THR 31 HG22 THR 31 -8.131 -3.135 2.037 238 HG23 THR 31 HG23 THR 31 -7.561 -3.849 0.527 239 H VAL 32 HN VAL 32 -4.605 -4.463 2.268 240 HA VAL 32 HA VAL 32 -3.297 -4.906 -0.325 241 HB VAL 32 HB VAL 32 -1.670 -6.290 0.807 242 HG11 VAL 32 HG11 VAL 32 -2.070 -3.678 2.250 243 HG12 VAL 32 HG12 VAL 32 -1.232 -3.900 0.714 244 HG13 VAL 32 HG13 VAL 32 -0.568 -4.603 2.189 245 HG21 VAL 32 HG21 VAL 32 -3.155 -5.681 3.356 246 HG22 VAL 32 HG22 VAL 32 -1.633 -6.561 3.227 247 HG23 VAL 32 HG23 VAL 32 -3.106 -7.242 2.539 248 H LEU 33 HN LEU 33 -3.350 -6.911 -1.306 249 HA LEU 33 HA LEU 33 -5.332 -8.754 -0.195 250 HB2 LEU 33 HB2 LEU 33 -5.820 -9.415 -2.614 251 HB3 LEU 33 HB1 LEU 33 -6.515 -7.936 -2.000 252 HG LEU 33 HG LEU 33 -5.757 -7.799 -4.349 253 HD11 LEU 33 HD11 LEU 33 -4.322 -5.959 -2.456 254 HD12 LEU 33 HD12 LEU 33 -5.963 -5.770 -3.075 255 HD13 LEU 33 HD13 LEU 33 -4.588 -5.662 -4.175 256 HD21 LEU 33 HD21 LEU 33 -3.380 -7.636 -4.867 257 HD22 LEU 33 HD22 LEU 33 -3.816 -9.234 -4.264 258 HD23 LEU 33 HD23 LEU 33 -2.988 -8.089 -3.209 259 H GLU 34 HN GLU 34 -5.058 -10.972 -0.693 260 HA GLU 34 HA GLU 34 -2.218 -11.656 -0.944 261 HB2 GLU 34 HB2 GLU 34 -3.180 -12.379 1.146 262 HB3 GLU 34 HB1 GLU 34 -4.544 -13.118 0.318 263 HG2 GLU 34 HG2 GLU 34 -2.972 -14.719 -0.735 264 HG3 GLU 34 HG1 GLU 34 -1.675 -14.025 0.236 265 H GLN 35 HN GLN 35 -1.532 -12.881 -2.599 266 HA GLN 35 HA GLN 35 -3.553 -14.199 -4.276 267 HB2 GLN 35 HB2 GLN 35 -1.177 -12.624 -5.285 268 HB3 GLN 35 HB1 GLN 35 -2.327 -13.505 -6.283 269 HG2 GLN 35 HG2 GLN 35 -4.118 -12.021 -5.435 270 HG3 GLN 35 HG1 GLN 35 -2.888 -11.094 -4.577 271 HE21 GLN 35 HE21 GLN 35 -4.235 -11.913 -7.659 272 HE22 GLN 35 HE22 GLN 35 -3.438 -10.678 -8.566 273 H HIS 36 HN HIS 36 -0.018 -13.882 -3.929 274 HA HIS 36 HA HIS 36 0.162 -16.788 -4.342 275 HB2 HIS 36 HB2 HIS 36 2.134 -14.599 -4.993 276 HB3 HIS 36 HB1 HIS 36 2.524 -16.313 -5.073 277 HD2 HIS 36 HD2 HIS 36 0.757 -13.577 -7.114 278 HE1 HIS 36 HE1 HIS 36 0.356 -17.241 -9.188 279 HE2 HIS 36 HE2 HIS 36 0.219 -14.721 -9.381 280 HA PRO 37 HA PRO 37 1.364 -16.744 0.003 281 HB2 PRO 37 HB2 PRO 37 1.700 -19.629 -0.575 282 HB3 PRO 37 HB1 PRO 37 0.750 -18.836 0.686 283 HG2 PRO 37 HG2 PRO 37 -0.442 -19.970 -1.411 284 HG3 PRO 37 HG1 PRO 37 -1.049 -18.452 -0.723 285 HD2 PRO 37 HD2 PRO 37 0.594 -18.893 -3.186 286 HD3 PRO 37 HD1 PRO 37 -0.772 -17.788 -2.923 287 H ASP 38 HN ASP 38 3.137 -17.595 -2.779 288 HA ASP 38 HA ASP 38 5.548 -18.516 -1.684 289 HB2 ASP 38 HB2 ASP 38 5.063 -18.531 -4.106 290 HB3 ASP 38 HB1 ASP 38 5.160 -16.773 -4.131 291 H GLY 39 HN GLY 39 4.174 -15.325 -1.964 292 HA2 GLY 39 HA2 GLY 39 4.911 -13.844 -0.089 293 HA3 GLY 39 HA1 GLY 39 6.546 -14.231 -0.598 294 H ARG 40 HN ARG 40 3.722 -13.447 -2.608 295 HA ARG 40 HA ARG 40 4.815 -10.797 -3.055 296 HB2 ARG 40 HB2 ARG 40 4.758 -10.938 -5.469 297 HB3 ARG 40 HB1 ARG 40 5.845 -12.150 -4.821 298 HG2 ARG 40 HG2 ARG 40 4.196 -13.877 -5.198 299 HG3 ARG 40 HG1 ARG 40 3.034 -12.671 -5.763 300 HD2 ARG 40 HD2 ARG 40 5.651 -13.431 -7.047 301 HD3 ARG 40 HD1 ARG 40 4.032 -13.729 -7.674 302 HE ARG 40 HE ARG 40 4.206 -11.003 -7.367 303 HH11 ARG 40 HH11 ARG 40 5.962 -13.452 -9.138 304 HH12 ARG 40 HH12 ARG 40 6.426 -12.380 -10.419 305 HH21 ARG 40 HH21 ARG 40 4.835 -9.570 -9.039 306 HH22 ARG 40 HH22 ARG 40 5.786 -10.166 -10.360 307 H TRP 41 HN TRP 41 3.244 -9.525 -2.553 308 HA TRP 41 HA TRP 41 0.510 -10.143 -3.463 309 HB2 TRP 41 HB2 TRP 41 1.336 -8.741 -0.912 310 HB3 TRP 41 HB1 TRP 41 -0.316 -8.968 -1.455 311 HD1 TRP 41 HD1 TRP 41 1.157 -12.175 -2.184 312 HE1 TRP 41 HE1 TRP 41 0.835 -13.838 -0.243 313 HE3 TRP 41 HE3 TRP 41 -0.169 -8.881 1.480 314 HZ2 TRP 41 HZ2 TRP 41 0.091 -13.750 2.484 315 HZ3 TRP 41 HZ3 TRP 41 -0.676 -9.741 3.720 316 HH2 TRP 41 HH2 TRP 41 -0.552 -12.129 4.214 317 H LYS 42 HN LYS 42 -0.845 -8.161 -3.646 318 HA LYS 42 HA LYS 42 0.750 -5.752 -4.170 319 HB2 LYS 42 HB2 LYS 42 -1.691 -6.711 -5.673 320 HB3 LYS 42 HB1 LYS 42 -0.988 -5.110 -5.855 321 HG2 LYS 42 HG2 LYS 42 1.171 -6.303 -6.484 322 HG3 LYS 42 HG1 LYS 42 0.186 -7.761 -6.625 323 HD2 LYS 42 HD2 LYS 42 -0.336 -5.187 -8.107 324 HD3 LYS 42 HD1 LYS 42 0.531 -6.566 -8.778 325 HE2 LYS 42 HE2 LYS 42 -2.299 -6.673 -7.751 326 HE3 LYS 42 HE1 LYS 42 -1.863 -6.444 -9.443 327 HZ1 LYS 42 HZ1 LYS 42 -0.639 -8.592 -9.276 328 HZ2 LYS 42 HZ2 LYS 42 -2.315 -8.723 -9.122 329 HZ3 LYS 42 HZ3 LYS 42 -1.335 -8.821 -7.749 330 H GLY 43 HN GLY 43 -0.530 -3.720 -3.903 331 HA2 GLY 43 HA2 GLY 43 -2.824 -3.969 -2.134 332 HA3 GLY 43 HA1 GLY 43 -1.376 -3.285 -1.417 333 H CYS 44 HN CYS 44 -3.882 -2.028 -1.684 334 HA CYS 44 HA CYS 44 -3.262 0.141 -3.580 335 HB2 CYS 44 HB2 CYS 44 -5.420 -0.998 -3.968 336 HB3 CYS 44 HB1 CYS 44 -5.904 -0.630 -2.318 337 HG CYS 44 HG CYS 44 -5.455 1.600 -4.868 338 H ILE 45 HN ILE 45 -3.267 2.272 -2.807 339 HA ILE 45 HA ILE 45 -3.141 2.500 0.126 340 HB ILE 45 HB ILE 45 -2.192 4.575 -1.842 341 HG12 ILE 45 HG12 ILE 45 -0.984 2.390 -2.171 342 HG13 ILE 45 HG11 ILE 45 0.050 3.727 -1.679 343 HG21 ILE 45 HG21 ILE 45 -0.851 5.347 0.068 344 HG22 ILE 45 HG22 ILE 45 -1.583 4.090 1.066 345 HG23 ILE 45 HG23 ILE 45 -2.583 5.382 0.398 346 HD11 ILE 45 HD11 ILE 45 0.014 2.893 0.617 347 HD12 ILE 45 HD12 ILE 45 0.647 1.699 -0.515 348 HD13 ILE 45 HD13 ILE 45 -0.998 1.547 0.102 349 H HIS 46 HN HIS 46 -4.588 3.743 1.198 350 HA HIS 46 HA HIS 46 -6.320 5.497 -0.425 351 HB2 HIS 46 HB2 HIS 46 -7.425 3.540 0.782 352 HB3 HIS 46 HB1 HIS 46 -7.012 4.352 2.287 353 HD2 HIS 46 HD2 HIS 46 -9.309 4.940 -0.842 354 HE1 HIS 46 HE1 HIS 46 -10.683 7.278 2.402 355 HE2 HIS 46 HE2 HIS 46 -11.061 6.672 -0.027 356 H ASP 47 HN ASP 47 -5.336 7.421 -0.280 357 HA ASP 47 HA ASP 47 -4.321 8.327 2.301 358 HB2 ASP 47 HB2 ASP 47 -2.703 8.704 0.665 359 HB3 ASP 47 HB1 ASP 47 -3.888 9.201 -0.535 360 H ASN 48 HN ASN 48 -5.005 10.123 3.323 361 HA ASN 48 HA ASN 48 -7.732 10.928 2.729 362 HB2 ASN 48 HB2 ASN 48 -7.389 12.112 5.039 363 HB3 ASN 48 HB1 ASN 48 -7.588 10.365 4.969 364 HD21 ASN 48 HD21 ASN 48 -5.867 9.035 5.392 365 HD22 ASN 48 HD22 ASN 48 -4.412 9.603 6.144 366 H ARG 49 HN ARG 49 -4.756 12.067 1.894 367 HA ARG 49 HA ARG 49 -5.459 14.879 2.108 368 HB2 ARG 49 HB2 ARG 49 -3.067 13.498 0.876 369 HB3 ARG 49 HB1 ARG 49 -3.288 15.243 0.904 370 HG2 ARG 49 HG2 ARG 49 -3.279 15.227 3.331 371 HG3 ARG 49 HG1 ARG 49 -3.121 13.471 3.331 372 HD2 ARG 49 HD2 ARG 49 -0.956 13.648 2.233 373 HD3 ARG 49 HD1 ARG 49 -1.115 15.405 2.170 374 HE ARG 49 HE ARG 49 -1.377 14.913 4.794 375 HH11 ARG 49 HH11 ARG 49 1.041 13.899 2.461 376 HH12 ARG 49 HH12 ARG 49 2.293 13.746 3.656 377 HH21 ARG 49 HH21 ARG 49 0.271 14.723 6.348 378 HH22 ARG 49 HH22 ARG 49 1.858 14.218 5.856 379 H THR 50 HN THR 50 -4.736 12.601 -0.548 380 HA THR 50 HA THR 50 -7.008 13.426 -2.032 381 HB THR 50 HB THR 50 -5.607 15.422 -2.437 382 HG1 THR 50 HG1 THR 50 -7.083 14.625 -4.054 383 HG21 THR 50 HG21 THR 50 -3.618 15.232 -3.875 384 HG22 THR 50 HG22 THR 50 -3.731 13.474 -3.782 385 HG23 THR 50 HG23 THR 50 -3.395 14.414 -2.328 386 H GLY 51 HN GLY 51 -4.167 11.540 -1.625 387 HA2 GLY 51 HA2 GLY 51 -4.476 10.146 -4.165 388 HA3 GLY 51 HA1 GLY 51 -3.221 9.865 -2.967 389 H ASN 52 HN ASN 52 -6.770 9.711 -3.069 390 HA ASN 52 HA ASN 52 -6.890 7.665 -1.117 391 HB2 ASN 52 HB2 ASN 52 -9.320 7.510 -1.830 392 HB3 ASN 52 HB1 ASN 52 -8.770 9.079 -1.261 393 HD21 ASN 52 HD21 ASN 52 -8.692 10.792 -2.655 394 HD22 ASN 52 HD22 ASN 52 -9.370 10.744 -4.248 395 H ASP 53 HN ASP 53 -6.179 7.508 -4.429 396 HA ASP 53 HA ASP 53 -6.398 4.590 -4.241 397 HB2 ASP 53 HB2 ASP 53 -7.473 6.341 -6.389 398 HB3 ASP 53 HB1 ASP 53 -6.726 4.826 -6.879 399 H ARG 54 HN ARG 54 -4.296 4.166 -3.931 400 HA ARG 54 HA ARG 54 -2.563 4.702 -6.259 401 HB2 ARG 54 HB2 ARG 54 -1.523 4.166 -3.480 402 HB3 ARG 54 HB1 ARG 54 -0.618 4.708 -4.877 403 HG2 ARG 54 HG2 ARG 54 -1.736 6.874 -4.774 404 HG3 ARG 54 HG1 ARG 54 -2.658 6.334 -3.369 405 HD2 ARG 54 HD2 ARG 54 -0.521 5.945 -2.176 406 HD3 ARG 54 HD1 ARG 54 0.341 6.601 -3.563 407 HE ARG 54 HE ARG 54 -1.104 8.676 -3.052 408 HH11 ARG 54 HH11 ARG 54 0.265 6.495 -0.682 409 HH12 ARG 54 HH12 ARG 54 0.366 7.690 0.574 410 HH21 ARG 54 HH21 ARG 54 -0.907 10.284 -1.422 411 HH22 ARG 54 HH22 ARG 54 -0.275 9.848 0.132 412 H VAL 55 HN VAL 55 -0.918 2.891 -6.543 413 HA VAL 55 HA VAL 55 -1.862 0.360 -5.402 414 HB VAL 55 HB VAL 55 -2.904 0.557 -7.617 415 HG11 VAL 55 HG11 VAL 55 -0.082 0.715 -8.655 416 HG12 VAL 55 HG12 VAL 55 -1.298 1.991 -8.716 417 HG13 VAL 55 HG13 VAL 55 -1.527 0.510 -9.647 418 HG21 VAL 55 HG21 VAL 55 -0.727 -1.527 -7.490 419 HG22 VAL 55 HG22 VAL 55 -2.135 -1.582 -8.549 420 HG23 VAL 55 HG23 VAL 55 -2.345 -1.659 -6.800 421 H GLY 56 HN GLY 56 -0.281 -1.167 -5.042 422 HA2 GLY 56 HA2 GLY 56 2.380 -0.762 -6.143 423 HA3 GLY 56 HA1 GLY 56 2.243 -0.565 -4.407 424 H TYR 57 HN TYR 57 3.893 -2.486 -5.486 425 HA TYR 57 HA TYR 57 2.492 -4.962 -4.741 426 HB2 TYR 57 HB2 TYR 57 4.076 -6.176 -6.206 427 HB3 TYR 57 HB1 TYR 57 3.094 -5.029 -7.109 428 HD1 TYR 57 HD1 TYR 57 6.443 -6.006 -6.178 429 HD2 TYR 57 HD2 TYR 57 4.116 -2.861 -7.846 430 HE1 TYR 57 HE1 TYR 57 8.485 -4.990 -7.098 431 HE2 TYR 57 HE2 TYR 57 6.149 -1.838 -8.770 432 HH TYR 57 HH TYR 57 8.574 -1.830 -8.310 433 H PHE 58 HN PHE 58 3.631 -6.423 -3.410 434 HA PHE 58 HA PHE 58 6.242 -5.691 -2.396 435 HB2 PHE 58 HB2 PHE 58 5.559 -5.328 -0.095 436 HB3 PHE 58 HB1 PHE 58 4.710 -4.190 -1.131 437 HD1 PHE 58 HD1 PHE 58 2.337 -4.906 -1.896 438 HD2 PHE 58 HD2 PHE 58 4.361 -6.571 1.456 439 HE1 PHE 58 HE1 PHE 58 0.189 -5.645 -0.967 440 HE2 PHE 58 HE2 PHE 58 2.209 -7.310 2.389 441 HZ PHE 58 HZ PHE 58 0.146 -6.867 1.211 442 HA PRO 59 HA PRO 59 6.491 -10.018 -1.400 443 HB2 PRO 59 HB2 PRO 59 7.242 -9.435 1.405 444 HB3 PRO 59 HB1 PRO 59 8.117 -10.343 0.168 445 HG2 PRO 59 HG2 PRO 59 8.915 -7.901 0.897 446 HG3 PRO 59 HG1 PRO 59 9.014 -8.437 -0.790 447 HD2 PRO 59 HD2 PRO 59 7.009 -6.634 0.511 448 HD3 PRO 59 HD1 PRO 59 7.773 -6.503 -1.088 449 H SER 60 HN SER 60 5.638 -8.931 1.888 450 HA SER 60 HA SER 60 2.907 -9.610 1.729 451 HB2 SER 60 HB2 SER 60 2.967 -11.718 3.075 452 HB3 SER 60 HB1 SER 60 3.647 -11.895 1.459 453 HG SER 60 HG SER 60 5.718 -11.760 2.364 454 H SER 61 HN SER 61 1.835 -8.880 3.473 455 HA SER 61 HA SER 61 1.394 -7.849 5.434 456 HB2 SER 61 HB2 SER 61 2.156 -10.081 6.282 457 HB3 SER 61 HB1 SER 61 3.761 -9.389 6.509 458 HG SER 61 HG SER 61 2.811 -9.121 8.439 459 H LEU 62 HN LEU 62 2.112 -5.863 4.340 460 HA LEU 62 HA LEU 62 4.530 -4.751 5.593 461 HB2 LEU 62 HB2 LEU 62 4.606 -4.839 3.129 462 HB3 LEU 62 HB1 LEU 62 3.140 -3.878 3.058 463 HG LEU 62 HG LEU 62 4.356 -2.013 4.168 464 HD11 LEU 62 HD11 LEU 62 6.751 -3.798 3.783 465 HD12 LEU 62 HD12 LEU 62 6.060 -3.289 5.322 466 HD13 LEU 62 HD13 LEU 62 6.803 -2.101 4.252 467 HD21 LEU 62 HD21 LEU 62 5.690 -1.390 2.205 468 HD22 LEU 62 HD22 LEU 62 4.117 -2.049 1.755 469 HD23 LEU 62 HD23 LEU 62 5.564 -3.045 1.605 470 H GLY 63 HN GLY 63 3.544 -4.076 7.490 471 HA2 GLY 63 HA2 GLY 63 2.763 -1.796 8.232 472 HA3 GLY 63 HA1 GLY 63 1.376 -2.097 7.194 473 H GLU 64 HN GLU 64 0.639 -1.523 9.599 474 HA GLU 64 HA GLU 64 0.426 -3.965 11.190 475 HB2 GLU 64 HB2 GLU 64 -0.521 -1.165 11.818 476 HB3 GLU 64 HB1 GLU 64 -0.499 -2.524 12.931 477 HG2 GLU 64 HG2 GLU 64 1.954 -2.601 12.750 478 HG3 GLU 64 HG1 GLU 64 1.898 -1.186 11.699 479 H ALA 65 HN ALA 65 -1.322 -5.214 11.102 480 HA ALA 65 HA ALA 65 -3.390 -4.642 9.242 481 HB1 ALA 65 HB1 ALA 65 -4.314 -6.787 9.863 482 HB2 ALA 65 HB2 ALA 65 -3.276 -6.849 11.289 483 HB3 ALA 65 HB3 ALA 65 -2.564 -6.917 9.676 484 H ILE 66 HN ILE 66 -4.646 -2.955 9.748 485 HA ILE 66 HA ILE 66 -5.958 -2.864 12.357 486 HB ILE 66 HB ILE 66 -6.825 -0.671 11.653 487 HG12 ILE 66 HG12 ILE 66 -5.208 -1.099 9.127 488 HG13 ILE 66 HG11 ILE 66 -6.965 -1.156 9.218 489 HG21 ILE 66 HG21 ILE 66 -4.697 -0.773 12.801 490 HG22 ILE 66 HG22 ILE 66 -4.668 0.515 11.598 491 HG23 ILE 66 HG23 ILE 66 -3.853 -1.016 11.272 492 HD11 ILE 66 HD11 ILE 66 -5.244 1.240 9.806 493 HD12 ILE 66 HD12 ILE 66 -7.004 1.187 9.891 494 HD13 ILE 66 HD13 ILE 66 -6.190 0.970 8.342 495 H VAL 67 HN VAL 67 -6.528 -3.647 9.051 496 HA VAL 67 HA VAL 67 -8.318 -4.309 7.842 497 HB VAL 67 HB VAL 67 -9.436 -5.302 10.463 498 HG11 VAL 67 HG11 VAL 67 -10.976 -5.389 8.555 499 HG12 VAL 67 HG12 VAL 67 -10.507 -7.003 9.087 500 HG13 VAL 67 HG13 VAL 67 -9.781 -6.308 7.639 501 HG21 VAL 67 HG21 VAL 67 -7.468 -6.648 8.613 502 HG22 VAL 67 HG22 VAL 67 -8.232 -7.390 10.018 503 HG23 VAL 67 HG23 VAL 67 -7.121 -6.037 10.231
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